smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000001819252 535374361 /nfs/dbraw/zinc/37/43/61/535374361.db2.gz NESFTUWYFPCXLD-UQBPGWFLSA-N 0 0 430.523 5.995 50 0 IKAARN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000253527796 291387828 /nfs/dbraw/zinc/38/78/28/291387828.db2.gz CAHGCLMLTWQZNJ-DTFRCBGMSA-N 0 0 426.729 8.479 50 0 biogenic,in-vitro IKAARN O=C(c1ccc(Cl)cc1)[C@H](Cn1cncn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000630058 193863128 /nfs/dbraw/zinc/86/31/28/193863128.db2.gz MCKCPBXNNGDCBE-LADGPHEKSA-N 0 0 433.964 5.964 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000000635901 193865831 /nfs/dbraw/zinc/86/58/31/193865831.db2.gz BCCLDKHKGGZOJH-RPBOFIJWSA-N 0 0 438.556 5.521 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000633739 193864949 /nfs/dbraw/zinc/86/49/49/193864949.db2.gz VFKJIMSMWKLQNW-RPWUZVMVSA-N 0 0 442.906 5.153 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cnc(-c3ccc(C)cc3C)cc12 ZINC000000638976 193866743 /nfs/dbraw/zinc/86/67/43/193866743.db2.gz ZYHDVQPQWMVYOG-UHFFFAOYSA-N 0 0 428.488 5.034 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000000639044 193866826 /nfs/dbraw/zinc/86/68/26/193866826.db2.gz IWSAUZJTPOKUGQ-UHFFFAOYSA-N 0 0 436.511 6.600 50 0 IKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000643982 193868774 /nfs/dbraw/zinc/86/87/74/193868774.db2.gz VIPFMFLAEIWKFB-INIZCTEOSA-N 0 0 436.577 6.305 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccccc2Cl)cc1 ZINC000000652538 193872787 /nfs/dbraw/zinc/87/27/87/193872787.db2.gz MQANMGXDPVIUHI-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1ccccc1OC(F)F ZINC000000655506 193874238 /nfs/dbraw/zinc/87/42/38/193874238.db2.gz FOKMUVCQRYHNOE-UHFFFAOYSA-N 0 0 440.277 5.709 50 0 IKAARN Cn1c2ccccc2nc1NC(=O)c1cccc(COc2ccc(Br)cc2)c1 ZINC000000656852 193874892 /nfs/dbraw/zinc/87/48/92/193874892.db2.gz XSNYYHXRHUIVOG-UHFFFAOYSA-N 0 0 436.309 5.167 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc3n2)c(OC)c1 ZINC000000657335 193875329 /nfs/dbraw/zinc/87/53/29/193875329.db2.gz CLZMWXTVSMAGAC-UHFFFAOYSA-N 0 0 436.870 5.964 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000000664070 193877457 /nfs/dbraw/zinc/87/74/57/193877457.db2.gz CVROOQMUHUVGDO-PMACEKPBSA-N 0 0 434.609 5.048 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000000664025 193877534 /nfs/dbraw/zinc/87/75/34/193877534.db2.gz LYATYAJNBRYQBQ-UHFFFAOYSA-N 0 0 436.368 5.034 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c(C)c1 ZINC000000664156 193877552 /nfs/dbraw/zinc/87/75/52/193877552.db2.gz RJMYQCROAMPSOA-UHFFFAOYSA-N 0 0 428.989 5.602 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000000663939 193877576 /nfs/dbraw/zinc/87/75/76/193877576.db2.gz UPTDNGWMEBBYSD-UHFFFAOYSA-N 0 0 432.524 5.367 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc1C ZINC000006079059 193877957 /nfs/dbraw/zinc/87/79/57/193877957.db2.gz LTWAOLICHRUGER-UHFFFAOYSA-N 0 0 425.554 5.294 50 0 IKAARN CCOc1ccc(-n2sc3c(c2=S)-c2cc(Br)ccc2NC3(C)C)cc1 ZINC000006090170 193878882 /nfs/dbraw/zinc/87/88/82/193878882.db2.gz JNUQTRRUUDKBEV-UHFFFAOYSA-N 0 0 447.423 6.757 50 0 IKAARN O=S(=O)(c1nc(/C=C/c2ccccc2)oc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000006143189 193882640 /nfs/dbraw/zinc/88/26/40/193882640.db2.gz LNYPZLRATPDSTF-NTEUORMPSA-N 0 0 428.941 5.322 50 0 IKAARN O=c1oc2ccccc2cc1-c1cn2cc(Cc3cc(Cl)ccc3Cl)sc2n1 ZINC000006143572 193882838 /nfs/dbraw/zinc/88/28/38/193882838.db2.gz LSLPFQRHMCCPCM-UHFFFAOYSA-N 0 0 427.312 6.067 50 0 IKAARN O=C(NCc1ccco1)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006191246 193889733 /nfs/dbraw/zinc/88/97/33/193889733.db2.gz VRAXKYFTMONYBX-UHFFFAOYSA-N 0 0 448.482 5.072 50 0 IKAARN CCCC[C@](CC)(CCCNC(=O)c1cc(C)oc1C)CNC(=O)c1cc(C)oc1C ZINC000006273957 193894774 /nfs/dbraw/zinc/89/47/74/193894774.db2.gz CMMKTPDMLWIPHM-RUZDIDTESA-N 0 0 430.589 5.633 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4cc(Cl)ccc4OC)cs3)c(=N)oc2c1 ZINC000006173390 193888166 /nfs/dbraw/zinc/88/81/66/193888166.db2.gz BIQWYYNMLCWLTB-UHFFFAOYSA-N 0 0 439.968 6.211 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000009833989 193900486 /nfs/dbraw/zinc/90/04/86/193900486.db2.gz WTBREDHWIQYLBB-XMMPIXPASA-N 0 0 439.559 5.411 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2-c2ccccc2)cc1 ZINC000009834198 193900875 /nfs/dbraw/zinc/90/08/75/193900875.db2.gz KXOKWCQDNQNJGC-UHFFFAOYSA-N 0 0 441.512 5.171 50 0 IKAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2cc(Cl)ccc2Cl)CC1 ZINC000009835306 193901699 /nfs/dbraw/zinc/90/16/99/193901699.db2.gz AOZPVIAOGVMMSB-FQEVSTJZSA-N 0 0 448.350 5.181 50 0 IKAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc2c(C)c1 ZINC000009848327 193906209 /nfs/dbraw/zinc/90/62/09/193906209.db2.gz PENMBSDNENAQST-SFHVURJKSA-N 0 0 428.001 5.142 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N[C@H](CC)Cc4ccccc4)C3)sc2c1 ZINC000009848136 193906315 /nfs/dbraw/zinc/90/63/15/193906315.db2.gz VRNPVCYIJNZRDM-VQTJNVASSA-N 0 0 437.609 5.049 50 0 IKAARN O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000009854266 193908513 /nfs/dbraw/zinc/90/85/13/193908513.db2.gz ARHSOCSTUDUVOT-UHFFFAOYSA-N 0 0 428.439 5.608 50 0 IKAARN CC[C@@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl ZINC000050073092 193921758 /nfs/dbraw/zinc/92/17/58/193921758.db2.gz RRINXGACOWHPCW-HNAYVOBHSA-N 0 0 445.412 5.405 50 0 IKAARN COc1ccc2[nH]cc(CCNC(=O)C[C@H](Cn3cccc3)c3ccc(Cl)cc3)c2c1 ZINC000096232543 193939264 /nfs/dbraw/zinc/93/92/64/193939264.db2.gz ZYNXQBOTDMUKML-HXUWFJFHSA-N 0 0 435.955 5.164 50 0 IKAARN COc1ccc(Cn2cc([C@@H](CC(=O)N3CCCC3)C3CCCCC3)c3ccccc32)cc1 ZINC000096275554 193951411 /nfs/dbraw/zinc/95/14/11/193951411.db2.gz AFYZWZVPTNAPSA-SANMLTNESA-N 0 0 444.619 6.375 50 0 IKAARN COc1ccc([C@H](CC(=O)NCC(C)C)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096275487 193951548 /nfs/dbraw/zinc/95/15/48/193951548.db2.gz IBBOYCXAAQHVAU-SANMLTNESA-N 0 0 440.587 5.992 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)NCc1ccco1 ZINC000096276306 193952266 /nfs/dbraw/zinc/95/22/66/193952266.db2.gz ZAECLKWGNSJMHR-GOSISDBHSA-N 0 0 436.895 5.024 50 0 IKAARN COc1ccccc1[C@@H](CC(=O)NCCc1ccccn1)c1c[nH]c2ccc(Cl)cc21 ZINC000096276554 193952499 /nfs/dbraw/zinc/95/24/99/193952499.db2.gz CMUHINSLKGHCFG-HXUWFJFHSA-N 0 0 433.939 5.106 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1)NCc1ccco1 ZINC000096276378 193952615 /nfs/dbraw/zinc/95/26/15/193952615.db2.gz GMMOAXDODKDQJC-MRXNPFEDSA-N 0 0 447.749 6.560 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)N(c1ccc(C)cc1)C(=O)C2 ZINC000000630672 132228122 /nfs/dbraw/zinc/22/81/22/132228122.db2.gz CFFFCADSIADNBQ-DEOSSOPVSA-N 0 0 442.342 5.998 50 0 IKAARN COc1ccc2nc(Cl)c([C@H]3Nc4ccccc4C(=O)N3c3ccc(C)cc3)cc2c1 ZINC000000643543 132228271 /nfs/dbraw/zinc/22/82/71/132228271.db2.gz YZCMZHXADGSGRR-DEOSSOPVSA-N 0 0 429.907 5.976 50 0 IKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000656049 132228765 /nfs/dbraw/zinc/22/87/65/132228765.db2.gz UYZQQJIVSASBPU-FNORWQNLSA-N 0 0 429.269 5.374 50 0 IKAARN O=C(c1ccc(COc2ccc(Cl)cc2Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000000673416 132228930 /nfs/dbraw/zinc/22/89/30/132228930.db2.gz CSHNZRMBUIWIHM-UHFFFAOYSA-N 0 0 441.358 5.535 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000000667846 132228978 /nfs/dbraw/zinc/22/89/78/132228978.db2.gz RNGLCZFJHZQHJY-CQSZACIVSA-N 0 0 444.300 5.742 50 0 IKAARN CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccccc1OCC ZINC000000710665 132229592 /nfs/dbraw/zinc/22/95/92/132229592.db2.gz YIDJSMZQNWDTOC-UHFFFAOYSA-N 0 0 449.547 5.200 50 0 IKAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000000815270 132230995 /nfs/dbraw/zinc/23/09/95/132230995.db2.gz FRYWVQCGKGGVPI-AWEZNQCLSA-N 0 0 436.437 5.455 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCc2ccccc21 ZINC000009363994 132230999 /nfs/dbraw/zinc/23/09/99/132230999.db2.gz NPRWIQPWPGDAFO-UHFFFAOYSA-N 0 0 426.541 6.080 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CCc1ccccc1 ZINC000000822169 132231150 /nfs/dbraw/zinc/23/11/50/132231150.db2.gz CLTMUEZWQWFFMN-UHFFFAOYSA-N 0 0 427.616 6.429 50 0 IKAARN COc1ccc(C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 ZINC000000830050 132231359 /nfs/dbraw/zinc/23/13/59/132231359.db2.gz YCYGVALLZKTSPY-FQRUVTKNSA-N 0 0 442.559 5.865 50 0 IKAARN C[C@H]1C[C@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000844602 132231505 /nfs/dbraw/zinc/23/15/05/132231505.db2.gz MYKQEFFQJACTID-AVRDEDQJSA-N 0 0 426.472 5.700 50 0 IKAARN C[C@@H]1C[C@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000844603 132231534 /nfs/dbraw/zinc/23/15/34/132231534.db2.gz MYKQEFFQJACTID-GCJKJVERSA-N 0 0 426.472 5.700 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3-c3c(=S)ssc3C2(C)C)cc1OC ZINC000000851498 132231730 /nfs/dbraw/zinc/23/17/30/132231730.db2.gz RFKJSIIULGHRDH-UHFFFAOYSA-N 0 0 429.588 6.119 50 0 IKAARN COc1ccc2c(c1)N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000898793 132233602 /nfs/dbraw/zinc/23/36/02/132233602.db2.gz UTWNFSABPYMNDS-UHFFFAOYSA-N 0 0 427.616 6.429 50 0 IKAARN O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000009569387 132234825 /nfs/dbraw/zinc/23/48/25/132234825.db2.gz KEJOVPVHAFXSID-UHFFFAOYSA-N 0 0 448.569 5.295 50 0 IKAARN Cc1cc(C)nc(SCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)n1 ZINC000000985201 132236751 /nfs/dbraw/zinc/23/67/51/132236751.db2.gz GGIPQKXLGISVCM-UHFFFAOYSA-N 0 0 447.507 6.034 50 0 IKAARN CC[C@H](Sc1nnnn1-c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000001155518 132237795 /nfs/dbraw/zinc/23/77/95/132237795.db2.gz PXWFZIYZXQMZEY-IBGZPJMESA-N 0 0 445.573 5.363 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001200856 132239439 /nfs/dbraw/zinc/23/94/39/132239439.db2.gz BLOHPVLPZCYOKI-UHFFFAOYSA-N 0 0 427.935 5.518 50 0 IKAARN CC1(C)C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 ZINC000001208847 132239831 /nfs/dbraw/zinc/23/98/31/132239831.db2.gz YZPIPQVLXIHVPV-UHFFFAOYSA-N 0 0 449.348 5.421 50 0 IKAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2)N1CCCc2ccccc21 ZINC000001213007 132240111 /nfs/dbraw/zinc/24/01/11/132240111.db2.gz AWVSYPBCFRZYQT-FXAWDEMLSA-N 0 0 426.442 5.136 50 0 IKAARN CC1CCN(c2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000001246185 132240742 /nfs/dbraw/zinc/24/07/42/132240742.db2.gz DILQGPORYTYRMC-UHFFFAOYSA-N 0 0 434.565 5.587 50 0 IKAARN C[C@@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000001381871 132244439 /nfs/dbraw/zinc/24/44/39/132244439.db2.gz YXPDQVGYCLFZGB-OAHLLOKOSA-N 0 0 425.315 5.576 50 0 IKAARN Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(C(F)(F)F)cc3)C(=O)[C@H]2C)cc1 ZINC000001381915 132244493 /nfs/dbraw/zinc/24/44/93/132244493.db2.gz ZRGQMMMSHBSHCR-QGZVFWFLSA-N 0 0 438.449 5.596 50 0 IKAARN C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385958 132244639 /nfs/dbraw/zinc/24/46/39/132244639.db2.gz ZJCBEEARPWEQHE-AWEZNQCLSA-N 0 0 443.305 5.715 50 0 IKAARN Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(C(F)(F)F)cc3)C(=O)[C@@H]2C)cc1 ZINC000001381917 132244669 /nfs/dbraw/zinc/24/46/69/132244669.db2.gz ZRGQMMMSHBSHCR-KRWDZBQOSA-N 0 0 438.449 5.596 50 0 IKAARN CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1cccc(OCC)c1 ZINC000001438245 132245350 /nfs/dbraw/zinc/24/53/50/132245350.db2.gz BMKFKKWCDDSPIR-UHFFFAOYSA-N 0 0 449.547 5.200 50 0 IKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC3(CC2)OCCO3)cc1 ZINC000001447600 132245569 /nfs/dbraw/zinc/24/55/69/132245569.db2.gz ONNABBXZQRKYBX-UHFFFAOYSA-N 0 0 446.938 5.084 50 0 IKAARN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC3(CC2)OCCO3)c1 ZINC000001447625 132245580 /nfs/dbraw/zinc/24/55/80/132245580.db2.gz XTLRSGHZWXANFE-UHFFFAOYSA-N 0 0 446.938 5.084 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000001447687 132245602 /nfs/dbraw/zinc/24/56/02/132245602.db2.gz NHWRQMWDRHZODD-QZTJIDSGSA-N 0 0 432.955 5.663 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(N3CCC(Cc4ccccc4)CC3)n2)cc1Cl ZINC000001738209 132246309 /nfs/dbraw/zinc/24/63/09/132246309.db2.gz JZBICGFCAOEIIA-UHFFFAOYSA-N 0 0 448.397 7.063 50 0 IKAARN Clc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)nc(-c3ccccc3)c2c1 ZINC000001738633 132246345 /nfs/dbraw/zinc/24/63/45/132246345.db2.gz BKPZAAKXWRQBOQ-UHFFFAOYSA-N 0 0 435.358 5.930 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C ZINC000001759845 132246632 /nfs/dbraw/zinc/24/66/32/132246632.db2.gz FESBAMQBMONVEG-RLWLMLJZSA-N 0 0 426.560 6.390 50 0 IKAARN CCOc1ccc(C(=O)N2c3ccc(OC)cc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000001806108 132246782 /nfs/dbraw/zinc/24/67/82/132246782.db2.gz AVTGNUFRHVTIGH-UHFFFAOYSA-N 0 0 443.615 6.509 50 0 IKAARN Nc1cccc(Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCC3)n2)c1 ZINC000001796023 132246801 /nfs/dbraw/zinc/24/68/01/132246801.db2.gz XQVPMQPAYNYUKO-UHFFFAOYSA-N 0 0 437.551 5.658 50 0 IKAARN Cc1ccccc1C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccccc1C ZINC000001840312 132247214 /nfs/dbraw/zinc/24/72/14/132247214.db2.gz LCJRTPKZCDYIDW-UHFFFAOYSA-N 0 0 425.528 6.365 50 0 IKAARN Cc1ccc2c(c1)N(C(=O)Cc1cccc3ccccc31)C(C)(C)c1ssc(=S)c1-2 ZINC000001823528 132247218 /nfs/dbraw/zinc/24/72/18/132247218.db2.gz OOMCGGDZVDGNLM-UHFFFAOYSA-N 0 0 447.650 7.492 50 0 IKAARN C[C@@H]1CCCCN1C(=S)SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001896475 132247460 /nfs/dbraw/zinc/24/74/60/132247460.db2.gz PVBYXECFYGFQOI-CQSZACIVSA-N 0 0 449.066 6.362 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000002059423 132247596 /nfs/dbraw/zinc/24/75/96/132247596.db2.gz VFRXYCUCNMMITN-UHFFFAOYSA-N 0 0 440.273 7.455 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1cccc(Cl)c1 ZINC000002057303 132247682 /nfs/dbraw/zinc/24/76/82/132247682.db2.gz CHWZJWOVBPCZTA-UHFFFAOYSA-N 0 0 434.007 6.764 50 0 IKAARN CC1(C)C[C@@](C)(c2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000002059437 132247784 /nfs/dbraw/zinc/24/77/84/132247784.db2.gz IZRYNXYZUYXLSC-VWLOTQADSA-N 0 0 434.377 6.584 50 0 IKAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1 ZINC000002059677 132247797 /nfs/dbraw/zinc/24/77/97/132247797.db2.gz UNXHNJQIBNUXDT-SANMLTNESA-N 0 0 438.398 7.437 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)c2ccc(C)cc2)cc1 ZINC000002063144 132247811 /nfs/dbraw/zinc/24/78/11/132247811.db2.gz QSPPDWFHQIRTMF-UHFFFAOYSA-N 0 0 425.528 6.365 50 0 IKAARN FC(F)(F)c1cccc(N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000002083450 132248085 /nfs/dbraw/zinc/24/80/85/132248085.db2.gz UNMPQGVSXCWFIW-UHFFFAOYSA-N 0 0 440.494 5.704 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000002089547 132248111 /nfs/dbraw/zinc/24/81/11/132248111.db2.gz ITMLVIBKIZJZFY-OAHLLOKOSA-N 0 0 444.333 6.693 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCc1ccccc1 ZINC000002177236 132248335 /nfs/dbraw/zinc/24/83/35/132248335.db2.gz REIPMRWKLRFYLF-HHHXNRCGSA-N 0 0 436.511 6.045 50 0 IKAARN CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000002145274 132248337 /nfs/dbraw/zinc/24/83/37/132248337.db2.gz CWLOCYYBMSHUPI-UHFFFAOYSA-N 0 0 446.016 5.346 50 0 IKAARN CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 ZINC000002189191 132248456 /nfs/dbraw/zinc/24/84/56/132248456.db2.gz QMNWOAUJCAPUMX-WAIKUNEKSA-N 0 0 435.365 6.734 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000002189197 132248476 /nfs/dbraw/zinc/24/84/76/132248476.db2.gz CCQLUBJESLFFRW-JOCHJYFZSA-N 0 0 435.365 6.518 50 0 IKAARN CCc1ccc(OCC(=O)N2c3ccccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002206337 132248901 /nfs/dbraw/zinc/24/89/01/132248901.db2.gz UVZSVLXWYBQZQC-UHFFFAOYSA-N 0 0 427.616 6.429 50 0 IKAARN CCOc1ccc(C(=O)N2c3c(C)cccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002230116 132249576 /nfs/dbraw/zinc/24/95/76/132249576.db2.gz LCIGSQRAQXWKQF-UHFFFAOYSA-N 0 0 427.616 6.809 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)c1ccccc1Cl)C(C)(C)c1ssc(=S)c1-2 ZINC000002230162 132249628 /nfs/dbraw/zinc/24/96/28/132249628.db2.gz UYUILQZSWMNBQI-UHFFFAOYSA-N 0 0 432.035 7.372 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002250720 132249963 /nfs/dbraw/zinc/24/99/63/132249963.db2.gz MQEUZVWAKMLHMT-SANMLTNESA-N 0 0 448.588 5.329 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002259121 132250443 /nfs/dbraw/zinc/25/04/43/132250443.db2.gz MYPXZLYAANJCBY-UHFFFAOYSA-N 0 0 429.607 6.786 50 0 IKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl ZINC000002266595 132250702 /nfs/dbraw/zinc/25/07/02/132250702.db2.gz PHAHQWZBQIQTRX-OXQOHEQNSA-N 0 0 432.976 7.147 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)CSc1nncn1C)C(C)(C)c1ssc(=S)c1-2 ZINC000002270416 132250997 /nfs/dbraw/zinc/25/09/97/132250997.db2.gz BBIMJGFILWYKIB-UHFFFAOYSA-N 0 0 448.664 5.325 50 0 IKAARN COc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)C(C)C)c3ccccc3)C[C@H]2C)c1 ZINC000002290224 132251424 /nfs/dbraw/zinc/25/14/24/132251424.db2.gz URKSXFTZAQULDY-IBVKSMDESA-N 0 0 442.559 5.865 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)c1ccc(Cl)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002290211 132251446 /nfs/dbraw/zinc/25/14/46/132251446.db2.gz GNWQTMLPZTVUHE-UHFFFAOYSA-N 0 0 432.035 7.372 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)Nc1ccc(Cl)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002315508 132252024 /nfs/dbraw/zinc/25/20/24/132252024.db2.gz YGJISOAIWICGOG-UHFFFAOYSA-N 0 0 447.050 7.764 50 0 IKAARN CCC(CC)C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)C(CC)CC)c2ccccc21 ZINC000002313881 132252028 /nfs/dbraw/zinc/25/20/28/132252028.db2.gz DWSBHSMKMDMHMO-RXFWQSSRSA-N 0 0 434.624 6.759 50 0 IKAARN CC(C)(C)c1cc(N2CCN(c3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002338319 132252519 /nfs/dbraw/zinc/25/25/19/132252519.db2.gz DLTSGCHYFWQNDU-UHFFFAOYSA-N 0 0 445.998 5.674 50 0 IKAARN COc1ccc(C(=O)N2c3ccc(OC(=O)c4cccc(F)c4)cc3C(C)=CC2(C)C)cc1 ZINC000002358578 132252845 /nfs/dbraw/zinc/25/28/45/132252845.db2.gz FTZBEQHBIJBRIJ-UHFFFAOYSA-N 0 0 445.490 5.896 50 0 IKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000002354753 132252890 /nfs/dbraw/zinc/25/28/90/132252890.db2.gz PCDFVSXWLASOAJ-DEOSSOPVSA-N 0 0 425.981 6.024 50 0 IKAARN COc1ccc([C@@H]2OCc3ccccc3N2C(=O)c2sc3ccccc3c2Cl)cc1 ZINC000002378583 132253281 /nfs/dbraw/zinc/25/32/81/132253281.db2.gz NJPTZDCOJPKLQI-DEOSSOPVSA-N 0 0 435.932 6.439 50 0 IKAARN CCc1ccc(OCC(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000002391448 132253515 /nfs/dbraw/zinc/25/35/15/132253515.db2.gz FOFXZXXFJVYFJG-NDEPHWFRSA-N 0 0 448.006 6.803 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002532770 132254844 /nfs/dbraw/zinc/25/48/44/132254844.db2.gz ARTARFNKWZGDNM-UHFFFAOYSA-N 0 0 434.245 5.493 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000002636238 132255560 /nfs/dbraw/zinc/25/55/60/132255560.db2.gz BCNSZBRXOVCEER-UHFFFAOYSA-N 0 0 433.552 5.167 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(c3ccccc3)CC2)cc1 ZINC000002714387 132256464 /nfs/dbraw/zinc/25/64/64/132256464.db2.gz AYFVDWIHYZAOAE-UHFFFAOYSA-N 0 0 445.570 5.723 50 0 IKAARN Fc1ccccc1N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000002714111 132256517 /nfs/dbraw/zinc/25/65/17/132256517.db2.gz PIZSBMZHAZVOCX-UHFFFAOYSA-N 0 0 449.533 5.553 50 0 IKAARN C[C@@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1 ZINC000002715091 132256556 /nfs/dbraw/zinc/25/65/56/132256556.db2.gz NWARYGWLCPPUFE-QGZVFWFLSA-N 0 0 447.380 6.086 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)s1 ZINC000002754969 132256903 /nfs/dbraw/zinc/25/69/03/132256903.db2.gz MXJZCIAIZXSXEI-UHFFFAOYSA-N 0 0 445.563 5.627 50 0 IKAARN COc1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2c2cccc(F)c2)cc1 ZINC000002746625 132256957 /nfs/dbraw/zinc/25/69/57/132256957.db2.gz GUKZIWZFSDCKJW-FQEVSTJZSA-N 0 0 427.273 5.368 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)cc1Cl ZINC000002924580 132258992 /nfs/dbraw/zinc/25/89/92/132258992.db2.gz JKCPVTVOSGDJFL-UHFFFAOYSA-N 0 0 444.988 5.459 50 0 IKAARN CCOc1ccccc1NC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C ZINC000002931636 132259215 /nfs/dbraw/zinc/25/92/15/132259215.db2.gz FAHOWOMZPCGHPF-UHFFFAOYSA-N 0 0 444.560 5.213 50 0 IKAARN Cc1ccccc1CSc1ncccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003018268 132260592 /nfs/dbraw/zinc/26/05/92/132260592.db2.gz JNBCNAGYTBWEHM-UHFFFAOYSA-N 0 0 437.996 5.298 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3)c(Cl)c1 ZINC000003030172 132260605 /nfs/dbraw/zinc/26/06/05/132260605.db2.gz DTELCKLULYPYOE-UHFFFAOYSA-N 0 0 440.927 5.679 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 ZINC000003030185 132260783 /nfs/dbraw/zinc/26/07/83/132260783.db2.gz ZCEGCHLRHJWXQE-UHFFFAOYSA-N 0 0 426.900 5.370 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 ZINC000003040618 132260891 /nfs/dbraw/zinc/26/08/91/132260891.db2.gz MHQXSZYQLMKZNJ-LJQANCHMSA-N 0 0 430.573 5.077 50 0 IKAARN Cc1nn2c(nc(C)cc2N2CCN(c3ccccc3F)CC2)c1-c1ccc(Cl)cc1 ZINC000003059438 132261529 /nfs/dbraw/zinc/26/15/29/132261529.db2.gz RTUPCQMSMFFALP-UHFFFAOYSA-N 0 0 435.934 5.132 50 0 IKAARN CCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000003123708 132261843 /nfs/dbraw/zinc/26/18/43/132261843.db2.gz ZNIFAUWONSYYQK-LVXARBLLSA-N 0 0 426.560 6.390 50 0 IKAARN CC1=CC(C)(C)N=C(SCc2c(Cl)cccc2Cl)N1c1ccc(Cl)cc1 ZINC000003138342 132261845 /nfs/dbraw/zinc/26/18/45/132261845.db2.gz PDBJMEDOPSGRNC-UHFFFAOYSA-N 0 0 425.812 7.439 50 0 IKAARN O=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000003125724 132261885 /nfs/dbraw/zinc/26/18/85/132261885.db2.gz WJKITWKLBMVXKY-UHFFFAOYSA-N 0 0 449.038 5.773 50 0 IKAARN C[C@H]1Cc2ccccc2N1/C=C1\c2ccccc2C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000003200230 132262236 /nfs/dbraw/zinc/26/22/36/132262236.db2.gz CCAMYUOWQVDLJK-WLVMFVESSA-N 0 0 448.444 5.685 50 0 IKAARN O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Br)o1 ZINC000003232723 132262402 /nfs/dbraw/zinc/26/24/02/132262402.db2.gz XSXZLLILDAYIDM-UHFFFAOYSA-N 0 0 430.279 5.028 50 0 IKAARN O=C1c2ccccc2C(=CNc2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1 ZINC000003223534 132262517 /nfs/dbraw/zinc/26/25/17/132262517.db2.gz JYLBXDKXZAEMSH-DEDYPNTBSA-N 0 0 442.824 5.999 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc12 ZINC000003236027 132262528 /nfs/dbraw/zinc/26/25/28/132262528.db2.gz DUDHOZRDGDRZQV-UHFFFAOYSA-N 0 0 448.567 5.114 50 0 IKAARN Clc1ccc(N2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)cc1Cl ZINC000003267689 132262878 /nfs/dbraw/zinc/26/28/78/132262878.db2.gz DQDCLKUQOVKYNV-UHFFFAOYSA-N 0 0 433.408 5.594 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)c23)C1 ZINC000003267712 132262955 /nfs/dbraw/zinc/26/29/55/132262955.db2.gz PWNCRYTYQXKKPK-ZDUSSCGKSA-N 0 0 433.408 5.450 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)c23)C1 ZINC000003267714 132262991 /nfs/dbraw/zinc/26/29/91/132262991.db2.gz PWNCRYTYQXKKPK-CYBMUJFWSA-N 0 0 433.408 5.450 50 0 IKAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000003295999 132263339 /nfs/dbraw/zinc/26/33/39/132263339.db2.gz PGWMCRPIHHEXFS-UHFFFAOYSA-N 0 0 430.504 5.265 50 0 IKAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc2ccccc2c1 ZINC000003306081 132263557 /nfs/dbraw/zinc/26/35/57/132263557.db2.gz WOJXZQBFKKHQJV-UHFFFAOYSA-N 0 0 434.483 5.650 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)n1-c1ccccc1 ZINC000003332828 132264093 /nfs/dbraw/zinc/26/40/93/132264093.db2.gz QEZFCUCPKQSRCD-SFHVURJKSA-N 0 0 444.560 5.296 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000003355708 132264415 /nfs/dbraw/zinc/26/44/15/132264415.db2.gz JSMNLCWRIBRZQJ-UHFFFAOYSA-N 0 0 448.588 5.378 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 ZINC000003438037 132265421 /nfs/dbraw/zinc/26/54/21/132265421.db2.gz GJIQCFJDGSIYMZ-NZQKXSOJSA-N 0 0 438.980 5.511 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 ZINC000003438044 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CC(=O)C1=NN(c2ccccc2)[C@@]2(CCC(c3ccccc3)=NN2c2ccccc2)S1 ZINC000009969672 132333209 /nfs/dbraw/zinc/33/32/09/132333209.db2.gz DURCXFIKVHWMCD-VWLOTQADSA-N 0 0 426.545 5.501 50 0 IKAARN CCC(=O)N1c2ccc(C)cc2[C@H](N(C(=O)Nc2ccccc2)c2ccc(C)cc2)C[C@H]1C ZINC000010383714 132335783 /nfs/dbraw/zinc/33/57/83/132335783.db2.gz AGMNXXCMNDHQKT-QFQXNSOFSA-N 0 0 441.575 6.618 50 0 IKAARN CCC(=O)N1c2ccc(C)cc2[C@@H](N(C(=O)Nc2ccccc2)c2ccc(C)cc2)C[C@H]1C ZINC000010383720 132335819 /nfs/dbraw/zinc/33/58/19/132335819.db2.gz AGMNXXCMNDHQKT-RLWLMLJZSA-N 0 0 441.575 6.618 50 0 IKAARN O=C(c1ccco1)N1CCN(c2ccc3cccc(OCc4cccc(Cl)c4)c3n2)CC1 ZINC000011027629 132337073 /nfs/dbraw/zinc/33/70/73/132337073.db2.gz BUNCBIGYONZOEX-UHFFFAOYSA-N 0 0 447.922 5.023 50 0 IKAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000011119390 132337355 /nfs/dbraw/zinc/33/73/55/132337355.db2.gz JDZRXGXGNVEGQE-UHFFFAOYSA-N 0 0 440.952 5.025 50 0 IKAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4nc(-c5ccccc5)cs4)CC3)c2c1C ZINC000013017607 132342636 /nfs/dbraw/zinc/34/26/36/132342636.db2.gz IRVRVRVHVXYETQ-UHFFFAOYSA-N 0 0 449.605 5.287 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000013038001 132342884 /nfs/dbraw/zinc/34/28/84/132342884.db2.gz XEGXIACYQLFRJI-VWLOTQADSA-N 0 0 433.983 5.459 50 0 IKAARN COc1ccccc1[C@H]1[C@@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC000013039252 132343197 /nfs/dbraw/zinc/34/31/97/132343197.db2.gz AVPSPJJCBUHCHH-IGKIAQTJSA-N 0 0 442.559 5.743 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000013114229 132344796 /nfs/dbraw/zinc/34/47/96/132344796.db2.gz QTJUHVYLGQLFQH-HXUWFJFHSA-N 0 0 445.569 5.709 50 0 IKAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1ccccc1N1CCOCC1 ZINC000013114548 132344911 /nfs/dbraw/zinc/34/49/11/132344911.db2.gz CYEWTFRUCJSDBX-UHFFFAOYSA-N 0 0 443.522 5.382 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 ZINC000013117269 132345113 /nfs/dbraw/zinc/34/51/13/132345113.db2.gz 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C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000013133793 132345693 /nfs/dbraw/zinc/34/56/93/132345693.db2.gz DLFZKKCNOPBWDH-IBGZPJMESA-N 0 0 435.955 5.282 50 0 IKAARN CC(=O)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)Oc2ccccc21 ZINC000013163757 132346012 /nfs/dbraw/zinc/34/60/12/132346012.db2.gz PNCQTWVSLYIXNB-NRFANRHFSA-N 0 0 438.936 5.244 50 0 IKAARN CSc1cccc(NC=C2C(=O)N(c3ccc(F)cc3Cl)C(=O)c3ccccc32)c1 ZINC000013165752 132346214 /nfs/dbraw/zinc/34/62/14/132346214.db2.gz ZFZMAQOMOWBVRH-CPNJWEJPSA-N 0 0 438.911 5.841 50 0 IKAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013583625 132351053 /nfs/dbraw/zinc/35/10/53/132351053.db2.gz UUVUZZLPURHDJB-UHFFFAOYSA-N 0 0 434.561 5.006 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4c(C)cc(C)cc4C)ccc32)cc1 ZINC000013583776 132351088 /nfs/dbraw/zinc/35/10/88/132351088.db2.gz MGYSHXHGOSHKGT-UHFFFAOYSA-N 0 0 448.588 5.314 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccccc4Cl)ccc32)cc1 ZINC000013583681 132351091 /nfs/dbraw/zinc/35/10/91/132351091.db2.gz OVVDOGSBXZHKBZ-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN CCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000013592210 132351296 /nfs/dbraw/zinc/35/12/96/132351296.db2.gz RZXMOFJPBQYWQC-IBVKSMDESA-N 0 0 442.559 6.009 50 0 IKAARN COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](/C(C)=C/c2ccccc2)C1=O ZINC000013591670 132351327 /nfs/dbraw/zinc/35/13/27/132351327.db2.gz YFVRYFNPCLQFRN-LEJURUINSA-N 0 0 446.934 5.201 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2cccc(F)c2)o1 ZINC000013946331 132355557 /nfs/dbraw/zinc/35/55/57/132355557.db2.gz HTKMHBBKGOKJRO-UHFFFAOYSA-N 0 0 432.417 6.347 50 0 IKAARN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000032806149 269299682 /nfs/dbraw/zinc/29/96/82/269299682.db2.gz KWPLNCVJMXMNIE-HNNXBMFYSA-N 0 0 432.911 5.242 50 0 IKAARN CCCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCCC)c1c2-c1ccccc1 ZINC000015304388 517588889 /nfs/dbraw/zinc/58/88/89/517588889.db2.gz JFKKMXRFLLYULW-UHFFFAOYSA-N 0 0 436.464 5.144 50 0 IKAARN Brc1ccc(-c2ccc([C@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 ZINC000012523844 518207348 /nfs/dbraw/zinc/20/73/48/518207348.db2.gz FUTDCNDCDKCAEB-DEOSSOPVSA-N 0 0 442.316 6.698 50 0 IKAARN Brc1ccc(-c2ccc([C@@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 ZINC000012523843 518208507 /nfs/dbraw/zinc/20/85/07/518208507.db2.gz FUTDCNDCDKCAEB-XMMPIXPASA-N 0 0 442.316 6.698 50 0 IKAARN Brc1cncc(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)c1 ZINC000035527597 518230255 /nfs/dbraw/zinc/23/02/55/518230255.db2.gz CJAKNVPMAYBJSE-UHFFFAOYSA-N 0 0 425.311 5.562 50 0 IKAARN CC(=O)c1c(C)cc(C)c(CSCc2nnc(-c3ccccc3Br)o2)c1C ZINC000022816037 518235181 /nfs/dbraw/zinc/23/51/81/518235181.db2.gz ODNFYGFWAAQDJR-UHFFFAOYSA-N 0 0 445.382 6.060 50 0 IKAARN CC(=O)c1cc2c(cc1NC(=O)c1oc3ccccc3c1COc1ccccc1)OCO2 ZINC000009665143 518295481 /nfs/dbraw/zinc/29/54/81/518295481.db2.gz FRLMUGRTWGQZPB-UHFFFAOYSA-N 0 0 429.428 5.195 50 0 IKAARN CC(=O)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000021656797 518365561 /nfs/dbraw/zinc/36/55/61/518365561.db2.gz NTGOGPIFGNZGPQ-UHFFFAOYSA-N 0 0 435.936 5.773 50 0 IKAARN CC(=O)c1ccc(OC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 ZINC000014463897 518390006 /nfs/dbraw/zinc/39/00/06/518390006.db2.gz AMDZXCBRMGUAOU-ZJSXRUAMSA-N 0 0 433.529 5.349 50 0 IKAARN CC(=O)c1cccc(NC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778731 518436484 /nfs/dbraw/zinc/43/64/84/518436484.db2.gz RXLZHJBMXRVIKI-OAQYLSRUSA-N 0 0 446.894 5.504 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2oc3c(c2C)-c2nn(Cc4ccc(C)cc4)cc2CC3)c1 ZINC000020490045 518444355 /nfs/dbraw/zinc/44/43/55/518444355.db2.gz GZYBJPJPXJQRNB-UHFFFAOYSA-N 0 0 439.515 5.362 50 0 IKAARN CC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)c1 ZINC000012446060 518447279 /nfs/dbraw/zinc/44/72/79/518447279.db2.gz JSZDWONTUGILGY-UHFFFAOYSA-N 0 0 426.307 5.685 50 0 IKAARN C/S(=N\C(=O)Nc1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000012367215 518574367 /nfs/dbraw/zinc/57/43/67/518574367.db2.gz UVKTYHLPNDAEGC-UHFFFAOYSA-N 0 0 447.343 6.235 50 0 IKAARN CC(C)(C)C(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1 ZINC000033036138 518592426 /nfs/dbraw/zinc/59/24/26/518592426.db2.gz WHMTYTAYULKPBJ-UHFFFAOYSA-N 0 0 445.386 5.225 50 0 IKAARN CC(C)(C)CC(=O)Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2ccco2)cc1 ZINC000037385461 518623253 /nfs/dbraw/zinc/62/32/53/518623253.db2.gz YCGMVBSGHCJFFI-UHFFFAOYSA-N 0 0 448.498 5.620 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035944479 518738799 /nfs/dbraw/zinc/73/87/99/518738799.db2.gz FFGDDZOBOSTRML-IBGZPJMESA-N 0 0 433.474 5.209 50 0 IKAARN CC(C)(C)NC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899085 518752603 /nfs/dbraw/zinc/75/26/03/518752603.db2.gz CQXSBJYFMZCYOS-LLVKDONJSA-N 0 0 433.396 5.179 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000012741140 518842825 /nfs/dbraw/zinc/84/28/25/518842825.db2.gz YWRXZZJLJCRURU-UHFFFAOYSA-N 0 0 448.548 5.591 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Cl)cc4)[nH]c(=O)c23)C1 ZINC000021882538 518946439 /nfs/dbraw/zinc/94/64/39/518946439.db2.gz APLXSMKHCGQPDX-CYBMUJFWSA-N 0 0 444.000 5.360 50 0 IKAARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(N)=O)/C(=C/c2cccs2)C1 ZINC000032939977 518950432 /nfs/dbraw/zinc/95/04/32/518950432.db2.gz IAWYOBZMTBVBTD-STTHAQSSSA-N 0 0 434.561 5.088 50 0 IKAARN CC(C)(C)c1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)cc(C(C)(C)C)c1O ZINC000035615758 518989771 /nfs/dbraw/zinc/98/97/71/518989771.db2.gz OCRCYEYHZWMJHC-UHFFFAOYSA-N 0 0 448.010 7.699 50 0 IKAARN CC(C)(C)c1cc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(C(C)(C)C)c1O ZINC000012369448 518990147 /nfs/dbraw/zinc/99/01/47/518990147.db2.gz XMNNMRBFFXZLCQ-UHFFFAOYSA-N 0 0 433.539 7.797 50 0 IKAARN CC(C)(C)c1cc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc(C(C)(C)C)c1O ZINC000012369450 518991481 /nfs/dbraw/zinc/99/14/81/518991481.db2.gz HOXWISBHNORUNY-UHFFFAOYSA-N 0 0 449.645 7.296 50 0 IKAARN CC(C)(C)c1ccc(-c2noc(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000020445578 519010313 /nfs/dbraw/zinc/01/03/13/519010313.db2.gz JYAWUWIYBJYGBG-UHFFFAOYSA-N 0 0 431.458 6.014 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001320574 519012460 /nfs/dbraw/zinc/01/24/60/519012460.db2.gz BGOBCJAALTXNHA-MHZLTWQESA-N 0 0 431.507 5.131 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001320573 519012956 /nfs/dbraw/zinc/01/29/56/519012956.db2.gz BGOBCJAALTXNHA-HHHXNRCGSA-N 0 0 431.507 5.131 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000015073847 519015878 /nfs/dbraw/zinc/01/58/78/519015878.db2.gz ANNFWEUFNXGGFM-UHFFFAOYSA-N 0 0 433.514 5.460 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000020468062 519018777 /nfs/dbraw/zinc/01/87/77/519018777.db2.gz HTZSQAZCRZLURX-QFIPXVFZSA-N 0 0 445.950 6.207 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000001066653 519021936 /nfs/dbraw/zinc/02/19/36/519021936.db2.gz FZYKCGXUKRKZBW-UHFFFAOYSA-N 0 0 441.575 5.199 50 0 IKAARN CC(C)(C)c1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000020444312 519023068 /nfs/dbraw/zinc/02/30/68/519023068.db2.gz JWIKPHJAXVPVDP-UHFFFAOYSA-N 0 0 434.927 5.790 50 0 IKAARN CC(C)(C)c1ccc(CN2c3ccccc3S(=O)(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000021658081 519029214 /nfs/dbraw/zinc/02/92/14/519029214.db2.gz WDXCSMNMXJIXIJ-UHFFFAOYSA-N 0 0 434.561 5.315 50 0 IKAARN CC(C)(C)c1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000012644742 519031808 /nfs/dbraw/zinc/03/18/08/519031808.db2.gz JQFUDVKEXMVQJW-UHFFFAOYSA-N 0 0 449.572 5.093 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)CNc2ccc(Cl)cc2NC(=O)c2ccco2)cc1 ZINC000032932741 519035958 /nfs/dbraw/zinc/03/59/58/519035958.db2.gz MXJIUJPMONYALA-UHFFFAOYSA-N 0 0 425.916 5.533 50 0 IKAARN CC(C)(C)c1ccc(Oc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 ZINC000012856046 519044250 /nfs/dbraw/zinc/04/42/50/519044250.db2.gz DLALFYGCZKGHMJ-UHFFFAOYSA-N 0 0 439.024 7.391 50 0 IKAARN CC(C)(C)c1ccc([C@H]2c3cccn3CCN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000035818521 519051570 /nfs/dbraw/zinc/05/15/70/519051570.db2.gz QQOORKBXPRCAOZ-NDEPHWFRSA-N 0 0 434.583 6.698 50 0 IKAARN C=Cc1ccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3cccnc32)cc1 ZINC000020532444 519318021 /nfs/dbraw/zinc/31/80/21/519318021.db2.gz MUIKXBVOIYHTSB-UHFFFAOYSA-N 0 0 425.479 6.434 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000012855256 519376761 /nfs/dbraw/zinc/37/67/61/519376761.db2.gz GLPNFMWAEZWKBA-UHFFFAOYSA-N 0 0 440.330 6.333 50 0 IKAARN CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253506180 519414749 /nfs/dbraw/zinc/41/47/49/519414749.db2.gz XRPYRCCVSZYAQT-JIIZDJOBSA-N 0 0 428.657 6.893 50 0 IKAARN CC(C)Cc1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 ZINC000033022213 519432622 /nfs/dbraw/zinc/43/26/22/519432622.db2.gz HLGRGMYMMCQUKR-UHFFFAOYSA-N 0 0 446.532 5.413 50 0 IKAARN CC(C)Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc4ccccc4c3)n2C)cc1 ZINC000012340463 519433575 /nfs/dbraw/zinc/43/35/75/519433575.db2.gz UZJSAGFEHDDJKN-SFHVURJKSA-N 0 0 429.589 6.197 50 0 IKAARN CC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000035975466 519465198 /nfs/dbraw/zinc/46/51/98/519465198.db2.gz XIPJFLJXXVVDKB-JOCHJYFZSA-N 0 0 439.943 5.154 50 0 IKAARN CC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000035980179 519465666 /nfs/dbraw/zinc/46/56/66/519465666.db2.gz PCXYLUWPQFYTED-QFIPXVFZSA-N 0 0 439.943 5.154 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cs1)c1cccc(C)c1C ZINC000012893113 519473679 /nfs/dbraw/zinc/47/36/79/519473679.db2.gz JVMMBGFSXPSMAR-NDENLUEZSA-N 0 0 431.517 5.097 50 0 IKAARN CC(=O)N(c1nc(CN(C)C(c2ccccc2)c2ccccc2)cs1)c1ccc(C)cc1 ZINC000095369299 519476935 /nfs/dbraw/zinc/47/69/35/519476935.db2.gz NYTYGHVYQBPWGU-UHFFFAOYSA-N 0 0 441.600 6.358 50 0 IKAARN CC(=O)N(c1nc(CSc2c(Cl)cccc2Cl)cs1)c1ccc(C)c(C)c1 ZINC000012578421 519478405 /nfs/dbraw/zinc/47/84/05/519478405.db2.gz HPEKTHFJMWMTPD-UHFFFAOYSA-N 0 0 437.417 7.044 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cs1)c1ccccc1 ZINC000012567293 519478518 /nfs/dbraw/zinc/47/85/18/519478518.db2.gz RAYNXESEVVLSOY-UHFFFAOYSA-N 0 0 447.589 5.578 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1ccc(C)cc1C ZINC000012854014 519478717 /nfs/dbraw/zinc/47/87/17/519478717.db2.gz IWZJTFGXQXAZII-UHFFFAOYSA-N 0 0 439.610 5.541 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1cccc(C)c1 ZINC000021328669 519478912 /nfs/dbraw/zinc/47/89/12/519478912.db2.gz JSGAVTUPLGTBBT-UHFFFAOYSA-N 0 0 426.523 5.380 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(OC(C)C)cc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586804 519499674 /nfs/dbraw/zinc/49/96/74/519499674.db2.gz YDALVHZEAQLAMC-XMMPIXPASA-N 0 0 443.547 5.210 50 0 biogenic IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)C2CCCCC2)c1 ZINC000035945548 519521713 /nfs/dbraw/zinc/52/17/13/519521713.db2.gz LUPNXOCSJWVHFU-UHFFFAOYSA-N 0 0 439.575 5.461 50 0 IKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 ZINC000021787504 519560308 /nfs/dbraw/zinc/56/03/08/519560308.db2.gz JOMWSOFCJPTTFL-QHCPKHFHSA-N 0 0 425.960 5.541 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(F)cc2)[C@@H](C)C(C)C)c1 ZINC000035944680 519604921 /nfs/dbraw/zinc/60/49/21/519604921.db2.gz UIBFEIRIAJBNOQ-IBGZPJMESA-N 0 0 441.591 5.563 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(F)cc1 ZINC000032997552 519639106 /nfs/dbraw/zinc/63/91/06/519639106.db2.gz JMDJDJOFDJYUOV-JOCHJYFZSA-N 0 0 438.528 5.178 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cccc(Cl)c1 ZINC000032997388 519639815 /nfs/dbraw/zinc/63/98/15/519639815.db2.gz VSOGRBNQEBJZPE-OAQYLSRUSA-N 0 0 440.956 5.384 50 0 IKAARN CC(=O)N1c2ccccc2C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 ZINC000012379468 519639918 /nfs/dbraw/zinc/63/99/18/519639918.db2.gz AQMRGRNRAXPAPD-UHFFFAOYSA-N 0 0 444.361 7.374 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000012584058 519645135 /nfs/dbraw/zinc/64/51/35/519645135.db2.gz OIGGSNQUXZYHLS-JOCHJYFZSA-N 0 0 436.599 7.513 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021869242 519653291 /nfs/dbraw/zinc/65/32/91/519653291.db2.gz WVFPMIRMZJJTCI-YJDKGBRESA-N 0 0 435.612 5.111 50 0 IKAARN CC(C)CCNC(=O)[C@H](C)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020732580 519661136 /nfs/dbraw/zinc/66/11/36/519661136.db2.gz CNAZSPSALINZTE-QVKFZJNVSA-N 0 0 448.991 5.285 50 0 IKAARN CC(C)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000035979788 519664112 /nfs/dbraw/zinc/66/41/12/519664112.db2.gz ZSWJJMBRBLHWEY-UHFFFAOYSA-N 0 0 436.770 5.942 50 0 IKAARN CC(C)CCc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1 ZINC000012321028 519697405 /nfs/dbraw/zinc/69/74/05/519697405.db2.gz YQDBSCMTFHDFOF-UHFFFAOYSA-N 0 0 428.532 5.066 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000033037158 519701670 /nfs/dbraw/zinc/70/16/70/519701670.db2.gz WLMLQCLBTVGIHH-UHFFFAOYSA-N 0 0 442.494 5.506 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000033037031 519701768 /nfs/dbraw/zinc/70/17/68/519701768.db2.gz QRHMISUPQMCJLF-UHFFFAOYSA-N 0 0 428.467 5.198 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000021662798 519708067 /nfs/dbraw/zinc/70/80/67/519708067.db2.gz AUGPBQUDNGJPAO-UHFFFAOYSA-N 0 0 429.907 5.444 50 0 IKAARN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 ZINC000012559526 519709553 /nfs/dbraw/zinc/70/95/53/519709553.db2.gz AYPCZOOVVMQJSS-UHFFFAOYSA-N 0 0 439.587 5.800 50 0 IKAARN CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C(C)C)cc1 ZINC000021355230 519710937 /nfs/dbraw/zinc/71/09/37/519710937.db2.gz GOZDPNHRFBXOLN-UHFFFAOYSA-N 0 0 445.544 5.417 50 0 IKAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(C)c(F)c4)ccc3[nH]2)cc1 ZINC000033264785 519715667 /nfs/dbraw/zinc/71/56/67/519715667.db2.gz ZKNNXTXFYQGAHM-UHFFFAOYSA-N 0 0 430.483 5.006 50 0 IKAARN CC(=O)Nc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cc(F)ccc2F)cc1 ZINC000020601515 519716403 /nfs/dbraw/zinc/71/64/03/519716403.db2.gz UCIWLRAQAFZJPL-SANMLTNESA-N 0 0 431.486 5.552 50 0 IKAARN CC(=O)Nc1ccc(CNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000021133924 519716412 /nfs/dbraw/zinc/71/64/12/519716412.db2.gz IHBMAJLSNGCDQN-UHFFFAOYSA-N 0 0 439.515 5.216 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000035944247 519718126 /nfs/dbraw/zinc/71/81/26/519718126.db2.gz VZCLQJHRJZFZLI-UHFFFAOYSA-N 0 0 443.657 5.416 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000020904367 519719762 /nfs/dbraw/zinc/71/97/62/519719762.db2.gz MQRINDARNOSCCE-VXKWHMMOSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccsc2)[C@H]1c1cccs1 ZINC000020904438 519719763 /nfs/dbraw/zinc/71/97/63/519719763.db2.gz JBYTWUBWGWMREQ-FGZHOGPDSA-N 0 0 438.618 5.105 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000020904389 519719849 /nfs/dbraw/zinc/71/98/49/519719849.db2.gz YOQXCNUNVRGDMY-YADHBBJMSA-N 0 0 440.515 5.602 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(F)ccc2F)[C@H]1c1cccs1 ZINC000020904390 519719856 /nfs/dbraw/zinc/71/98/56/519719856.db2.gz YOQXCNUNVRGDMY-FGZHOGPDSA-N 0 0 440.515 5.602 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000021363702 519723305 /nfs/dbraw/zinc/72/33/05/519723305.db2.gz URCNEKWMMASQBB-UHFFFAOYSA-N 0 0 430.533 5.184 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C2CCCCC2)cc1 ZINC000012519992 519724448 /nfs/dbraw/zinc/72/44/48/519724448.db2.gz LLXAQVAFLADALI-MRXNPFEDSA-N 0 0 436.581 5.619 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000002653173 519726302 /nfs/dbraw/zinc/72/63/02/519726302.db2.gz IVRYTGRKQHXPCL-UHFFFAOYSA-N 0 0 430.895 5.403 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1Cl ZINC000022603340 519726618 /nfs/dbraw/zinc/72/66/18/519726618.db2.gz OFSVGFPBMIVKMC-UHFFFAOYSA-N 0 0 444.922 5.463 50 0 IKAARN CC(=O)Nc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000018154445 519727419 /nfs/dbraw/zinc/72/74/19/519727419.db2.gz CMRDRASZUBQEPF-UHFFFAOYSA-N 0 0 433.309 5.761 50 0 IKAARN CC(=O)Nc1ccc(SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)cc1 ZINC000012756255 519732424 /nfs/dbraw/zinc/73/24/24/519732424.db2.gz IXABSEDMQPTYRC-UHFFFAOYSA-N 0 0 427.576 5.272 50 0 IKAARN CC(=O)Nc1cccc(-c2nc(-c3cccc(NC(=O)Nc4ccccc4)c3)no2)c1C ZINC000035481902 519735291 /nfs/dbraw/zinc/73/52/91/519735291.db2.gz UMXIXMSNRKRAGS-UHFFFAOYSA-N 0 0 427.464 5.314 50 0 IKAARN CC(C)CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000036003177 519742626 /nfs/dbraw/zinc/74/26/26/519742626.db2.gz GHZZRHVBWCVRFD-UHFFFAOYSA-N 0 0 446.570 5.128 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccc(OC(F)(F)F)cc3)nc2C)c1 ZINC000012409960 519744171 /nfs/dbraw/zinc/74/41/71/519744171.db2.gz UEIOGGHFNBQIGY-UHFFFAOYSA-N 0 0 435.427 5.228 50 0 IKAARN CC(=O)Nc1cccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)c1 ZINC000018199127 519745467 /nfs/dbraw/zinc/74/54/67/519745467.db2.gz SMECOQQGCIURRP-UHFFFAOYSA-N 0 0 441.322 5.441 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2cccc(C)c2)c1 ZINC000012817465 519747460 /nfs/dbraw/zinc/74/74/60/519747460.db2.gz BHKDGTPAASSGNJ-SFTDATJTSA-N 0 0 430.548 5.511 50 0 IKAARN CC(=O)Nc1nc2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)cc2s1 ZINC000021883051 519753632 /nfs/dbraw/zinc/75/36/32/519753632.db2.gz XCDDDOUNEYTTLQ-UHFFFAOYSA-N 0 0 439.500 5.117 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000253498676 519757797 /nfs/dbraw/zinc/75/77/97/519757797.db2.gz JVRUDYNTKOCRNP-VULXQMTISA-N 0 0 436.592 6.107 50 0 biogenic IKAARN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000012878554 519757799 /nfs/dbraw/zinc/75/77/99/519757799.db2.gz MCVIVMYFDOKJSH-IOYLNEAKSA-N 0 0 438.608 6.186 50 0 biogenic IKAARN CC(=O)O[C@H]1CC[C@@]2(CO)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000034609624 519758313 /nfs/dbraw/zinc/75/83/13/519758313.db2.gz ZUYKAEVLUWUNMD-KVHJHAPGSA-N 0 0 444.700 6.932 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000037396500 519765910 /nfs/dbraw/zinc/76/59/10/519765910.db2.gz MQEYWDACDMLJSE-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN CC(C)COc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037385275 519766062 /nfs/dbraw/zinc/76/60/62/519766062.db2.gz KYRYHDLHUQNSTN-UHFFFAOYSA-N 0 0 436.512 5.422 50 0 IKAARN CC(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1nccs1 ZINC000020730934 519778092 /nfs/dbraw/zinc/77/80/92/519778092.db2.gz VDORXXBEVZQIIU-UHFFFAOYSA-N 0 0 434.517 5.275 50 0 IKAARN CC(C)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012273723 519778888 /nfs/dbraw/zinc/77/88/88/519778888.db2.gz GCUNXFHHCXMPOA-IXCJQBJRSA-N 0 0 426.560 6.840 50 0 IKAARN CC(C)[C@@H](NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1cccs1 ZINC000021915465 519798155 /nfs/dbraw/zinc/79/81/55/519798155.db2.gz VDMJHNNOZBEOLT-HSZRJFAPSA-N 0 0 447.604 5.712 50 0 IKAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000012482351 519799841 /nfs/dbraw/zinc/79/98/41/519799841.db2.gz JUSDIWDBXGNAFC-AIRYCRCHSA-N 0 0 442.953 6.128 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C\c1ccccc1)c2-c1cccc2ccccc21 ZINC000017197731 519803397 /nfs/dbraw/zinc/80/33/97/519803397.db2.gz ZHYCDPOQKOCTHY-URTIFYFGSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(Cl)c1)CCCC3 ZINC000015735592 519807616 /nfs/dbraw/zinc/80/76/16/519807616.db2.gz IHAAEVOYXLCMCX-JOCHJYFZSA-N 0 0 440.012 6.816 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000035945130 519812032 /nfs/dbraw/zinc/81/20/32/519812032.db2.gz GCXVUTHPFKNPCZ-SFHVURJKSA-N 0 0 443.657 5.876 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035944634 519812043 /nfs/dbraw/zinc/81/20/43/519812043.db2.gz ZBRFKQKHNSGXQP-KRWDZBQOSA-N 0 0 442.003 5.441 50 0 IKAARN CC(C)[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 ZINC000012773084 519818799 /nfs/dbraw/zinc/81/87/99/519818799.db2.gz OMABBPLEFUWDIX-NRFANRHFSA-N 0 0 436.474 5.405 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1cc(-c2ccccc2)on1 ZINC000015337325 519820027 /nfs/dbraw/zinc/82/00/27/519820027.db2.gz PYPXLARZPSEEQS-FQEVSTJZSA-N 0 0 447.318 5.146 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012531957 519820280 /nfs/dbraw/zinc/82/02/80/519820280.db2.gz WHEHBBAAZMHYFD-CZILXDHESA-N 0 0 448.582 5.687 50 0 IKAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1nc2c(s1)CCCC2 ZINC000012542328 519821746 /nfs/dbraw/zinc/82/17/46/519821746.db2.gz NHYKWFDGVKDJQY-INIZCTEOSA-N 0 0 431.911 5.769 50 0 IKAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000012482367 519821789 /nfs/dbraw/zinc/82/17/89/519821789.db2.gz JUSDIWDBXGNAFC-KNBKFLTOSA-N 0 0 442.953 6.128 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl ZINC000012311483 519825644 /nfs/dbraw/zinc/82/56/44/519825644.db2.gz OGWPBRLXWMQHMA-UNEWFSDZSA-N 0 0 433.397 5.633 50 0 IKAARN CC(C)c1cc(N2CCCC[C@@H]2C)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000036029279 519833075 /nfs/dbraw/zinc/83/30/75/519833075.db2.gz SKBGCMGZBDOUOD-IBGZPJMESA-N 0 0 438.641 5.507 50 0 IKAARN CC(C)c1cc(N2CCCC[C@H]2C)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000036029278 519833121 /nfs/dbraw/zinc/83/31/21/519833121.db2.gz SKBGCMGZBDOUOD-LJQANCHMSA-N 0 0 438.641 5.507 50 0 IKAARN CC(C)c1cc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)on1 ZINC000012635273 519833277 /nfs/dbraw/zinc/83/32/77/519833277.db2.gz JOSDFBCZVHOICA-UHFFFAOYSA-N 0 0 440.956 5.580 50 0 IKAARN CC(C)c1ccc(C(=O)COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000013113472 519834418 /nfs/dbraw/zinc/83/44/18/519834418.db2.gz RFGVQLPPSBIUSK-UHFFFAOYSA-N 0 0 429.516 5.122 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010767 519836180 /nfs/dbraw/zinc/83/61/80/519836180.db2.gz BUDXZXVVIUUCRQ-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN CC(C)c1ccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)cc1 ZINC000015838558 519836395 /nfs/dbraw/zinc/83/63/95/519836395.db2.gz BYZRDEOYCHCZQP-UHFFFAOYSA-N 0 0 436.964 6.439 50 0 IKAARN CC(C)c1ccc(Cn2c3nnc(SCc4ccccc4)n3c3ccsc3c2=O)cc1 ZINC000035529639 519836572 /nfs/dbraw/zinc/83/65/72/519836572.db2.gz ZJTQWOJPGAQWFU-UHFFFAOYSA-N 0 0 446.601 5.570 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000035910398 519836631 /nfs/dbraw/zinc/83/66/31/519836631.db2.gz NCGAAFMZGSEFOV-AREMUKBSSA-N 0 0 446.572 5.606 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3F)c2)cc1 ZINC000035910456 519836663 /nfs/dbraw/zinc/83/66/63/519836663.db2.gz RHCYLITVAPHMDZ-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000035910399 519836687 /nfs/dbraw/zinc/83/66/87/519836687.db2.gz MIGRUVNWROCVEW-MHZLTWQESA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3ccccc3)c2)cc1 ZINC000035910428 519836702 /nfs/dbraw/zinc/83/67/02/519836702.db2.gz PMJNLNORLITAHR-AREMUKBSSA-N 0 0 430.573 5.770 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021857023 519836715 /nfs/dbraw/zinc/83/67/15/519836715.db2.gz KJDUYRDCANRJFU-MHZLTWQESA-N 0 0 429.564 5.243 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000035482116 519836764 /nfs/dbraw/zinc/83/67/64/519836764.db2.gz OCJKTCXXZXPPAJ-AREMUKBSSA-N 0 0 449.620 5.694 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1 ZINC000035533393 519837219 /nfs/dbraw/zinc/83/72/19/519837219.db2.gz WWHWODBIKOXUBT-HNNXBMFYSA-N 0 0 441.626 5.177 50 0 IKAARN CC(C)c1ccc(NC(=S)N=[P@@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1 ZINC000012648328 519837824 /nfs/dbraw/zinc/83/78/24/519837824.db2.gz KWFDSGBKLUJAGF-LJAQVGFWSA-N 0 0 443.597 6.079 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022649113 519838525 /nfs/dbraw/zinc/83/85/25/519838525.db2.gz GJEHCJWNTFNMFS-UHFFFAOYSA-N 0 0 425.516 5.472 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022650793 519838546 /nfs/dbraw/zinc/83/85/46/519838546.db2.gz QOSGFGQKAFZERS-UHFFFAOYSA-N 0 0 439.543 5.862 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000041154416 519838863 /nfs/dbraw/zinc/83/88/63/519838863.db2.gz YNLNGNHXCKYVMY-UHFFFAOYSA-N 0 0 449.981 5.097 50 0 IKAARN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2cnccn2)c2cccs2)cc1 ZINC000021523300 519838914 /nfs/dbraw/zinc/83/89/14/519838914.db2.gz IEIUGXMUUIFNDO-QHCPKHFHSA-N 0 0 448.592 5.108 50 0 IKAARN CC(C)c1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000020724914 519838935 /nfs/dbraw/zinc/83/89/35/519838935.db2.gz RVKYIGMDZIMLTB-YDIMBITNSA-N 0 0 432.633 7.064 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193067 519839723 /nfs/dbraw/zinc/83/97/23/519839723.db2.gz LYPPIHPRQAFBOM-ZCYQVOJMSA-N 0 0 447.376 6.815 50 0 IKAARN CC(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021536340 519840369 /nfs/dbraw/zinc/84/03/69/519840369.db2.gz ALJMDLFSGCJOTK-MHZLTWQESA-N 0 0 439.534 6.877 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192714 519840434 /nfs/dbraw/zinc/84/04/34/519840434.db2.gz YPGOBGGEMLQKLB-ILBGXUMGSA-N 0 0 447.376 6.815 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561647 519840443 /nfs/dbraw/zinc/84/04/43/519840443.db2.gz CZEAKZLYHQPZDX-YIXXDRMTSA-N 0 0 426.516 5.824 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000035927466 519844565 /nfs/dbraw/zinc/84/45/65/519844565.db2.gz UPAMBGUIJLMHCT-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1cccc(F)c1 ZINC000035927579 519844751 /nfs/dbraw/zinc/84/47/51/519844751.db2.gz WSQXAKJKLQSUJS-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)Cc1cccs1 ZINC000035927554 519844775 /nfs/dbraw/zinc/84/47/75/519844775.db2.gz NQHLWLJQLVZQSI-XMMPIXPASA-N 0 0 436.602 5.831 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1cccc(F)c1 ZINC000035927580 519844784 /nfs/dbraw/zinc/84/47/84/519844784.db2.gz WSQXAKJKLQSUJS-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000012401756 519846478 /nfs/dbraw/zinc/84/64/78/519846478.db2.gz GMIJKBQEOIWYHJ-AREMUKBSSA-N 0 0 430.573 5.837 50 0 IKAARN CCCC(=O)N1c2ccc(F)cc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1 ZINC000032997831 519870566 /nfs/dbraw/zinc/87/05/66/519870566.db2.gz GGVJOLNETHSVBT-FQEVSTJZSA-N 0 0 444.919 5.277 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(Br)c3)cc2s1 ZINC000032959427 519880896 /nfs/dbraw/zinc/88/08/96/519880896.db2.gz KIFRRNPJYVUECQ-UHFFFAOYSA-N 0 0 446.370 5.369 50 0 IKAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(CC1CC1)C(=O)c1ccccc1F ZINC000035972329 519881738 /nfs/dbraw/zinc/88/17/38/519881738.db2.gz XWKRRIPHQJRTLP-UHFFFAOYSA-N 0 0 434.559 5.253 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000035980846 519883077 /nfs/dbraw/zinc/88/30/77/519883077.db2.gz HTOLUHLJLAPISX-UHFFFAOYSA-N 0 0 436.556 5.220 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000035973073 519883189 /nfs/dbraw/zinc/88/31/89/519883189.db2.gz PTNBERJRBAJPLC-UHFFFAOYSA-N 0 0 438.547 5.698 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000035980316 519883286 /nfs/dbraw/zinc/88/32/86/519883286.db2.gz ZHUHMNITYZCLER-UHFFFAOYSA-N 0 0 440.975 5.956 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000035978441 519883321 /nfs/dbraw/zinc/88/33/21/519883321.db2.gz KJRGESLRWLXNOS-UHFFFAOYSA-N 0 0 434.540 5.066 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000035980341 519883452 /nfs/dbraw/zinc/88/34/52/519883452.db2.gz FJXQTXKIVVPSHZ-UHFFFAOYSA-N 0 0 436.556 5.218 50 0 IKAARN CCCNC(=O)N(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000035971060 519883485 /nfs/dbraw/zinc/88/34/85/519883485.db2.gz BTTJNMKBLHMWDI-UHFFFAOYSA-N 0 0 444.535 5.688 50 0 IKAARN CCCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccccc1 ZINC000033266936 519883992 /nfs/dbraw/zinc/88/39/92/519883992.db2.gz OHQFODFGHBJUIW-VWLOTQADSA-N 0 0 439.563 5.250 50 0 IKAARN CCNC(=O)c1ccc(CSc2nc(N(C)Cc3ccccc3)cc(C(C)(C)C)n2)o1 ZINC000036029968 519891388 /nfs/dbraw/zinc/89/13/88/519891388.db2.gz KWKHKSIDXLDRMS-UHFFFAOYSA-N 0 0 438.597 5.046 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000021528319 519898210 /nfs/dbraw/zinc/89/82/10/519898210.db2.gz GOTCGNSCVNODFO-UHFFFAOYSA-N 0 0 434.540 5.051 50 0 IKAARN CCCNC(=O)c1ccc(CSc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)o1 ZINC000035730110 519898374 /nfs/dbraw/zinc/89/83/74/519898374.db2.gz UZPMWYLVIFDRQJ-UHFFFAOYSA-N 0 0 429.545 5.836 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(C)cc1C ZINC000023328424 519901299 /nfs/dbraw/zinc/90/12/99/519901299.db2.gz ACPXMUVNVLCBGF-UHFFFAOYSA-N 0 0 426.582 5.549 50 0 IKAARN CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)n1 ZINC000034712481 519902025 /nfs/dbraw/zinc/90/20/25/519902025.db2.gz AEWCNRGYINMDQA-UHFFFAOYSA-N 0 0 436.455 5.166 50 0 IKAARN CCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000035988805 519906112 /nfs/dbraw/zinc/90/61/12/519906112.db2.gz ZHGJEDKLRUYVLX-UHFFFAOYSA-N 0 0 428.580 5.051 50 0 IKAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000034921562 519914731 /nfs/dbraw/zinc/91/47/31/519914731.db2.gz FFDZPADRVSEIAL-HXUWFJFHSA-N 0 0 437.628 6.017 50 0 IKAARN CCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)c1cccc2ccccc21 ZINC000012617030 519916245 /nfs/dbraw/zinc/91/62/45/519916245.db2.gz LHVDVZXMQGJQGH-UHFFFAOYSA-N 0 0 437.495 5.674 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)C1CCCCC1 ZINC000012311758 519920731 /nfs/dbraw/zinc/92/07/31/519920731.db2.gz CYCLYBWFKQRLOS-UHFFFAOYSA-N 0 0 449.620 5.276 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)c1ccccc1 ZINC000012623596 519920744 /nfs/dbraw/zinc/92/07/44/519920744.db2.gz LWRZEKUXZKIIPZ-UHFFFAOYSA-N 0 0 443.572 5.148 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1cccc(OC)c1)c1ccccc1 ZINC000033068689 519920801 /nfs/dbraw/zinc/92/08/01/519920801.db2.gz GIFVNXXQIGZMSI-UHFFFAOYSA-N 0 0 443.572 5.374 50 0 IKAARN CCN(C(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)c1cccc(C)c1 ZINC000017288200 519921104 /nfs/dbraw/zinc/92/11/04/519921104.db2.gz PWBSKMOLLCFEQG-UHFFFAOYSA-N 0 0 436.968 5.503 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865502 519925136 /nfs/dbraw/zinc/92/51/36/519925136.db2.gz OWEOMZZQRBGZHR-ROUUACIJSA-N 0 0 442.673 5.559 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865504 519925171 /nfs/dbraw/zinc/92/51/71/519925171.db2.gz OWEOMZZQRBGZHR-ZWKOTPCHSA-N 0 0 442.673 5.559 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc(CCCC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035866385 519925765 /nfs/dbraw/zinc/92/57/65/519925765.db2.gz HGGZYVVHCDUANO-SFHVURJKSA-N 0 0 442.673 5.388 50 0 IKAARN CC(C)n1c2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036617076 519929845 /nfs/dbraw/zinc/92/98/45/519929845.db2.gz JTGWHPGSRDVPBS-UHFFFAOYSA-N 0 0 431.386 5.322 50 0 IKAARN CCCCCCC(=O)N(CCC)CC(=O)N(Cc1sccc1C)Cc1ccccc1 ZINC000035774871 519951455 /nfs/dbraw/zinc/95/14/55/519951455.db2.gz PJUGYMOMALNJLL-UHFFFAOYSA-N 0 0 428.642 5.794 50 0 IKAARN CCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865288 519954256 /nfs/dbraw/zinc/95/42/56/519954256.db2.gz SAZLLUUILNIQTM-KRWDZBQOSA-N 0 0 440.657 5.313 50 0 IKAARN CCCCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(OC)cc1OC ZINC000035912402 519958236 /nfs/dbraw/zinc/95/82/36/519958236.db2.gz WSIIOEZYXZZHCA-DEOSSOPVSA-N 0 0 442.581 5.391 50 0 IKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000035927336 519959400 /nfs/dbraw/zinc/95/94/00/519959400.db2.gz OFOALGIJWCPRNU-QHCPKHFHSA-N 0 0 426.538 5.103 50 0 IKAARN CCCCCCN(C(=O)c1cccc(OC)c1)[C@H](CC)c1nc2ccccc2c(=O)n1C ZINC000035688525 520074098 /nfs/dbraw/zinc/07/40/98/520074098.db2.gz NYUZSQCEWAJGOQ-HSZRJFAPSA-N 0 0 435.568 5.116 50 0 IKAARN CCCCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)c(OC)c1 ZINC000035888830 520086120 /nfs/dbraw/zinc/08/61/20/520086120.db2.gz XJQVBCPNVYYTSH-JOCHJYFZSA-N 0 0 436.596 5.966 50 0 biogenic IKAARN CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 ZINC000016751927 520107299 /nfs/dbraw/zinc/10/72/99/520107299.db2.gz YDFLLDSKJSUJLK-DEOSSOPVSA-N 0 0 433.548 6.097 50 0 IKAARN CCN(C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12)c1cccc(Cl)c1 ZINC000020904517 520111546 /nfs/dbraw/zinc/11/15/46/520111546.db2.gz AMJBFPCHUOTNHU-UHFFFAOYSA-N 0 0 432.907 5.319 50 0 IKAARN CCCCCC[C@@H](C)N/C=C1\c2ccccc2C(=O)N(c2ccc(OC)c(OC)c2)C1=O ZINC000023409108 520114039 /nfs/dbraw/zinc/11/40/39/520114039.db2.gz RIVGTJOZSKQUIM-YMNYDYPGSA-N 0 0 436.552 5.180 50 0 IKAARN CC(CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1 ZINC000012599159 520148374 /nfs/dbraw/zinc/14/83/74/520148374.db2.gz UJDLBHBKDBIVBP-QFIPXVFZSA-N 0 0 441.575 5.053 50 0 IKAARN CCCCCN(Cc1cccn1Cc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000035729279 520174398 /nfs/dbraw/zinc/17/43/98/520174398.db2.gz GRKUUXNHKOJKJR-UHFFFAOYSA-N 0 0 444.406 7.068 50 0 IKAARN CCCCCN(Cc1cccn1Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000035729289 520174760 /nfs/dbraw/zinc/17/47/60/520174760.db2.gz ZXIMXWPVUHZQIL-UHFFFAOYSA-N 0 0 431.001 5.571 50 0 IKAARN CCCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1cccc(C(F)(F)F)c1 ZINC000035889159 520195784 /nfs/dbraw/zinc/19/57/84/520195784.db2.gz FYZDZXRGLRSQQS-NRFANRHFSA-N 0 0 430.514 6.578 50 0 IKAARN CCN(C)C(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2F)n1 ZINC000034713175 520224045 /nfs/dbraw/zinc/22/40/45/520224045.db2.gz OXSPGAHHPVDXSB-UHFFFAOYSA-N 0 0 438.446 5.639 50 0 IKAARN CC1(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCCC1 ZINC000022130638 520236579 /nfs/dbraw/zinc/23/65/79/520236579.db2.gz RTSYBQURJCTBPV-UHFFFAOYSA-N 0 0 440.487 5.415 50 0 IKAARN CCOP(=O)(CN(CCc1ccccc1)C(=S)Nc1c(C)cccc1CC)OCC ZINC000020680109 520240429 /nfs/dbraw/zinc/24/04/29/520240429.db2.gz SXZFYOBOEBNZHT-UHFFFAOYSA-N 0 0 448.569 6.023 50 0 IKAARN CCOP(=O)(Cc1nc2ccccc2nc1CP(=O)(OCC)OCC)OCC ZINC000012411263 520242174 /nfs/dbraw/zinc/24/21/74/520242174.db2.gz OJJGGCUOOMVDDT-UHFFFAOYSA-N 0 0 430.378 5.162 50 0 IKAARN CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc(F)cc2)C(=O)O[C@@H]1c1ccc(Br)cc1 ZINC000000720407 520245094 /nfs/dbraw/zinc/24/50/94/520245094.db2.gz UHZJZPLJWGIJRO-XMSQKQJNSA-N 0 0 447.300 5.061 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 ZINC000017270017 520254202 /nfs/dbraw/zinc/25/42/02/520254202.db2.gz YMHFVAKHESCKGU-UHFFFAOYSA-N 0 0 432.545 6.490 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012193023 520255072 /nfs/dbraw/zinc/25/50/72/520255072.db2.gz QHUCHETWCXZLTG-IAPPQJPRSA-N 0 0 442.559 6.507 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012194520 520256265 /nfs/dbraw/zinc/25/62/65/520256265.db2.gz VPKVOZMFVMSPSR-VPUSJEBWSA-N 0 0 446.978 7.151 50 0 IKAARN CCCCCOc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(OCCCCC)cc2)cc1 ZINC000015905882 520256308 /nfs/dbraw/zinc/25/63/08/520256308.db2.gz HPKSGVLDXMGMEW-CLJLJLNGSA-N 0 0 444.568 5.981 50 0 IKAARN CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(Br)cc1 ZINC000015319077 520274404 /nfs/dbraw/zinc/27/44/04/520274404.db2.gz UNOUMYXBWDDTAL-NWSQWKLXSA-N 0 0 435.365 5.929 50 0 IKAARN CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)[nH]c2C1 ZINC000021365809 520275052 /nfs/dbraw/zinc/27/50/52/520275052.db2.gz MNFACVNZHRZHLH-UHFFFAOYSA-N 0 0 429.339 5.083 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OCC ZINC000012627634 520295212 /nfs/dbraw/zinc/29/52/12/520295212.db2.gz ZDLVOUKUJVZPIV-IBGZPJMESA-N 0 0 427.932 5.381 50 0 IKAARN CCCOc1cc(C)c(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3Cl)cc1C ZINC000012411235 520300300 /nfs/dbraw/zinc/30/03/00/520300300.db2.gz LTFDKCDPFGGMSS-UHFFFAOYSA-N 0 0 434.989 5.056 50 0 IKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(C)n1 ZINC000012225892 520315021 /nfs/dbraw/zinc/31/50/21/520315021.db2.gz KWDCOCSJTSIVBK-UHFFFAOYSA-N 0 0 429.883 5.754 50 0 IKAARN CCCOc1ccc(-c2nc(C(=O)NCCc3ccc(OC)cc3)cs2)c(Cl)c1 ZINC000034713156 520316013 /nfs/dbraw/zinc/31/60/13/520316013.db2.gz OWJBNUHSOBBJMT-UHFFFAOYSA-N 0 0 430.957 5.233 50 0 IKAARN CCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OCC ZINC000017167221 520320014 /nfs/dbraw/zinc/32/00/14/520320014.db2.gz GXKXUDYHEZEUNU-NDENLUEZSA-N 0 0 449.931 5.903 50 0 IKAARN CCCCCc1ccc(C(=O)Nc2nnc(SCc3ccc(OC)cc3)s2)cc1 ZINC000035924448 520322547 /nfs/dbraw/zinc/32/25/47/520322547.db2.gz LKVZHQDYNZZUEW-UHFFFAOYSA-N 0 0 427.595 5.824 50 0 IKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@@H](C(=O)OC)c3ccc(OC)cc3)C2)cc1 ZINC000022643747 520323246 /nfs/dbraw/zinc/32/32/46/520323246.db2.gz KUMPOIKPOYPREE-ARNLJNQMSA-N 0 0 435.564 5.059 50 0 IKAARN CCCCCc1ccc(-c2nc(-c3ccc(-c4ccc(CCCCC)cc4)cc3)no2)cc1 ZINC000009659839 520323832 /nfs/dbraw/zinc/32/38/32/520323832.db2.gz RDWCQEOZCHLFAQ-UHFFFAOYSA-N 0 0 438.615 8.536 50 0 IKAARN CCCCCn1cnnc1SCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000012848300 520334872 /nfs/dbraw/zinc/33/48/72/520334872.db2.gz HYTFKMGJHPTKNN-UHFFFAOYSA-N 0 0 442.629 5.151 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000002997295 520336590 /nfs/dbraw/zinc/33/65/90/520336590.db2.gz WHFXPQDGJSXXQP-UHFFFAOYSA-N 0 0 447.585 5.879 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000012481306 520352298 /nfs/dbraw/zinc/35/22/98/520352298.db2.gz OYBVTNPVOGMTQL-GFCCVEGCSA-N 0 0 425.381 5.281 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CCCCCC2 ZINC000012398729 520352356 /nfs/dbraw/zinc/35/23/56/520352356.db2.gz ZEBIMOMKSQJSCL-UHFFFAOYSA-N 0 0 439.408 5.815 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000012483902 520352664 /nfs/dbraw/zinc/35/26/64/520352664.db2.gz DBFGVYXJAIJHNE-UHFFFAOYSA-N 0 0 435.282 5.493 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccsc2)nc1C ZINC000018056532 520355079 /nfs/dbraw/zinc/35/50/79/520355079.db2.gz HYOUINGWGLNLCI-UHFFFAOYSA-N 0 0 433.986 5.243 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(C2SCCS2)cc1 ZINC000012925795 520355669 /nfs/dbraw/zinc/35/56/69/520355669.db2.gz DMQROVPSKIKXQX-UHFFFAOYSA-N 0 0 435.014 5.228 50 0 IKAARN CCCCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H](CC)c1nc2ccccc2c(=O)n1CC ZINC000035688531 520358708 /nfs/dbraw/zinc/35/87/08/520358708.db2.gz NDCDXJFGZGNCON-DEOSSOPVSA-N 0 0 447.623 6.108 50 0 IKAARN CCCCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H](CC)c1nc2ccccc2c(=O)n1CC ZINC000035688533 520358854 /nfs/dbraw/zinc/35/88/54/520358854.db2.gz NDCDXJFGZGNCON-XMMPIXPASA-N 0 0 447.623 6.108 50 0 IKAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)c1cccs1 ZINC000036044966 520373969 /nfs/dbraw/zinc/37/39/69/520373969.db2.gz LEAWZDQJXAMCMN-UHFFFAOYSA-N 0 0 444.560 5.010 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OCC ZINC000012062897 520433591 /nfs/dbraw/zinc/43/35/91/520433591.db2.gz VWNKHFAPEPOMAB-QHCPKHFHSA-N 0 0 435.520 5.244 50 0 IKAARN CCCOc1ccc2ccccc2c1CN(C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000012775683 520435749 /nfs/dbraw/zinc/43/57/49/520435749.db2.gz MVBCNSUWSNCLKQ-UHFFFAOYSA-N 0 0 433.577 5.047 50 0 IKAARN CCCCN(CC)C(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023335198 520473295 /nfs/dbraw/zinc/47/32/95/520473295.db2.gz DMJCWJBSBAQUHW-UHFFFAOYSA-N 0 0 431.458 5.700 50 0 IKAARN CCCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012437249 520487303 /nfs/dbraw/zinc/48/73/03/520487303.db2.gz BTTFXCVYZPNVNL-GGXMVOPNSA-N 0 0 434.539 6.871 50 0 IKAARN CCCCN(CCCC)C(=O)c1oc2ccc(S(=O)(=O)N3CCCCCC3)cc2c1C ZINC000020683142 520494076 /nfs/dbraw/zinc/49/40/76/520494076.db2.gz LYGWCWAGIBVXSI-UHFFFAOYSA-N 0 0 448.629 5.348 50 0 IKAARN CCN(CC)C(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035815739 520499413 /nfs/dbraw/zinc/49/94/13/520499413.db2.gz AUVAVMOBRSFVRB-SANMLTNESA-N 0 0 442.578 6.528 50 0 IKAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 ZINC000017286607 520526005 /nfs/dbraw/zinc/52/60/05/520526005.db2.gz RDSHRMULBLIYPZ-UHFFFAOYSA-N 0 0 434.561 5.098 50 0 IKAARN CCCCN(CCc1nc(-c2ccc(N(C)C)cc2)no1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000036000548 520541526 /nfs/dbraw/zinc/54/15/26/520541526.db2.gz RBVVIPCARIVKLG-UHFFFAOYSA-N 0 0 449.599 5.803 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccc(C)cc1 ZINC000020578374 520547998 /nfs/dbraw/zinc/54/79/98/520547998.db2.gz ZGGINYKJJMRSRB-UHFFFAOYSA-N 0 0 434.609 5.672 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(F)cc3F)c(OC)c2)n1 ZINC000034712447 520563349 /nfs/dbraw/zinc/56/33/49/520563349.db2.gz UGTYQELBFKUCRI-UHFFFAOYSA-N 0 0 432.492 5.158 50 0 IKAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc(C)cc2)c(C(=O)OC(C)C)c1C ZINC000033333593 520566319 /nfs/dbraw/zinc/56/63/19/520566319.db2.gz DOGOVHUBJQKQTG-YPKPFQOOSA-N 0 0 442.581 5.064 50 0 IKAARN CCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015679655 520566387 /nfs/dbraw/zinc/56/63/87/520566387.db2.gz ALKXJDFISNOGIP-HHHXNRCGSA-N 0 0 435.612 5.399 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 ZINC000008432038 520568165 /nfs/dbraw/zinc/56/81/65/520568165.db2.gz DPKVWQNRWOXNEU-UHFFFAOYSA-N 0 0 446.616 6.168 50 0 biogenic IKAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000034927679 520568363 /nfs/dbraw/zinc/56/83/63/520568363.db2.gz CYGABHLQHCHTQN-ZEQRLZLVSA-N 0 0 447.966 5.132 50 0 IKAARN CC1(C)Cc2c(sc3ncn4nc(OCc5ccc(Cl)cc5Cl)nc4c23)CO1 ZINC000012406868 520576028 /nfs/dbraw/zinc/57/60/28/520576028.db2.gz VQSMWTRHNYPUTN-UHFFFAOYSA-N 0 0 435.336 5.076 50 0 IKAARN CCOC(=O)C1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000012859805 520584119 /nfs/dbraw/zinc/58/41/19/520584119.db2.gz FWLGRXAVTOAVIJ-UHFFFAOYSA-N 0 0 437.543 5.743 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc3)c2O1 ZINC000009659758 520585256 /nfs/dbraw/zinc/58/52/56/520585256.db2.gz MQMRCUZJWYCECW-UHFFFAOYSA-N 0 0 441.449 6.250 50 0 IKAARN CCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037385651 520592560 /nfs/dbraw/zinc/59/25/60/520592560.db2.gz MWWWDTSLUKQVLN-QHCPKHFHSA-N 0 0 432.955 5.333 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)CC1=O ZINC000020897571 520598567 /nfs/dbraw/zinc/59/85/67/520598567.db2.gz VRSIKUPDKRRARS-SFHVURJKSA-N 0 0 425.960 5.193 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O ZINC000021524509 520598955 /nfs/dbraw/zinc/59/89/55/520598955.db2.gz AJDQCVBMVFMBPF-LJQANCHMSA-N 0 0 439.987 5.665 50 0 IKAARN CCCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)C1=O ZINC000012420094 520600463 /nfs/dbraw/zinc/60/04/63/520600463.db2.gz QPMGJQBZIKMTDH-VWLOTQADSA-N 0 0 449.913 5.551 50 0 IKAARN CCC[C@@H](C)C(=O)N1CCN(C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022636649 520606016 /nfs/dbraw/zinc/60/60/16/520606016.db2.gz SXASOMFRQLLCIY-PXDATVDWSA-N 0 0 443.031 5.487 50 0 IKAARN CCOc1cc(-c2ccc3c(c2)OCO3)cc(=Nc2cccc(C)c2)c2c(C)oc(C)c21 ZINC000252679818 520611719 /nfs/dbraw/zinc/61/17/19/520611719.db2.gz RPPPXYHBFQRXEY-UHFFFAOYSA-N 0 0 427.500 6.385 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCC3=CCCCC3)cc21 ZINC000032986568 520612086 /nfs/dbraw/zinc/61/20/86/520612086.db2.gz GNCSESOATFRRPV-UHFFFAOYSA-N 0 0 434.967 6.574 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCc4ccccc4C3)cc21 ZINC000032986631 520612113 /nfs/dbraw/zinc/61/21/13/520612113.db2.gz IZEUFMXDIMYCDR-UHFFFAOYSA-N 0 0 442.946 6.152 50 0 IKAARN CCOc1c2cc(NC(=O)CSCc3ccc(F)cc3)ccc2sc1C(=O)OC ZINC000033123442 520612215 /nfs/dbraw/zinc/61/22/15/520612215.db2.gz VXYZRLGYDVEHDY-UHFFFAOYSA-N 0 0 433.526 5.098 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c21 ZINC000012658066 520612450 /nfs/dbraw/zinc/61/24/50/520612450.db2.gz BMCDTDACINMCRG-XLVZBRSZSA-N 0 0 427.544 6.973 50 0 biogenic IKAARN CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c21 ZINC000012659007 520612469 /nfs/dbraw/zinc/61/24/69/520612469.db2.gz MBHVXXVXJCFWMT-XLVZBRSZSA-N 0 0 443.612 7.686 50 0 biogenic IKAARN CCOc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)Cc1ccsc1)C2 ZINC000012123245 520613652 /nfs/dbraw/zinc/61/36/52/520613652.db2.gz MIWKRHJDWSAHIU-UHFFFAOYSA-N 0 0 449.597 5.992 50 0 IKAARN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc(C)cc1 ZINC000012285441 520614402 /nfs/dbraw/zinc/61/44/02/520614402.db2.gz JSHJAFOKZPZLGM-UHFFFAOYSA-N 0 0 446.572 5.817 50 0 IKAARN CCC[C@@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2OC)c1 ZINC000023433630 520617370 /nfs/dbraw/zinc/61/73/70/520617370.db2.gz YQQWIIAIUGYAEN-QGZVFWFLSA-N 0 0 435.524 5.099 50 0 IKAARN CCCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035805722 520628428 /nfs/dbraw/zinc/62/84/28/520628428.db2.gz VBMFHZIDFKKFAA-RUZDIDTESA-N 0 0 428.551 6.267 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000017195150 520651273 /nfs/dbraw/zinc/65/12/73/520651273.db2.gz IHUFGXDGWSHTLL-BXUZGUMPSA-N 0 0 442.393 5.043 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085677 520680206 /nfs/dbraw/zinc/68/02/06/520680206.db2.gz ZTYPNQHEVBSCJR-UHFFFAOYSA-N 0 0 432.499 5.360 50 0 IKAARN CCCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)S2 ZINC000020180589 520685851 /nfs/dbraw/zinc/68/58/51/520685851.db2.gz UXIWAJZWXQEPJS-UNOMPAQXSA-N 0 0 434.483 5.345 50 0 IKAARN CC1(COc2cccc(CN(C(=O)/C=C/c3ccccc3Cl)C3CCCC3)c2)COC1 ZINC000012098993 520746083 /nfs/dbraw/zinc/74/60/83/520746083.db2.gz SHPFXODVZRQXOU-BUHFOSPRSA-N 0 0 439.983 5.740 50 0 IKAARN CCOc1cc(NC(=O)[C@@H](CC)c2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000020886023 520757043 /nfs/dbraw/zinc/75/70/43/520757043.db2.gz LNRUQPIRFFDIMQ-NRFANRHFSA-N 0 0 446.547 5.869 50 0 IKAARN CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccccc3Cl)n1)O[C@@H](C)C2 ZINC000021837565 520794892 /nfs/dbraw/zinc/79/48/92/520794892.db2.gz AORWZVMQLCGRAJ-ZDUSSCGKSA-N 0 0 428.941 5.367 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)c1)N(c1ccc(C)c(Cl)c1)C(=O)C2 ZINC000020867960 520797687 /nfs/dbraw/zinc/79/76/87/520797687.db2.gz OUEFQYJJQQIZMF-HHHXNRCGSA-N 0 0 449.978 6.433 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000020446274 520799496 /nfs/dbraw/zinc/79/94/96/520799496.db2.gz WEPNBYHYAZSQRY-NDEPHWFRSA-N 0 0 445.559 5.734 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)C(=O)C2 ZINC000020446206 520799791 /nfs/dbraw/zinc/79/97/91/520799791.db2.gz XJSOFXOIBTWKSE-MHZLTWQESA-N 0 0 449.978 6.433 50 0 IKAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)Nc2ccc(F)cc2)c3C)cc1OCC ZINC000021913834 520803303 /nfs/dbraw/zinc/80/33/03/520803303.db2.gz ZLKRVXPLGGLXJO-UHFFFAOYSA-N 0 0 448.498 5.202 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(NC(=O)c2ccco2)c1 ZINC000012754409 520807191 /nfs/dbraw/zinc/80/71/91/520807191.db2.gz YWYMGMCXAZVZPG-UHFFFAOYSA-N 0 0 448.928 5.008 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000012564481 520807588 /nfs/dbraw/zinc/80/75/88/520807588.db2.gz XCBRVFSWABUGAQ-INIZCTEOSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2cc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)on2)cc1OCC ZINC000020575524 520807731 /nfs/dbraw/zinc/80/77/31/520807731.db2.gz JGYQOTOPIBEQLM-UHFFFAOYSA-N 0 0 442.475 5.421 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 ZINC000015910324 520809318 /nfs/dbraw/zinc/80/93/18/520809318.db2.gz BASAPHXKTUUGLJ-JOCHJYFZSA-N 0 0 433.895 5.399 50 0 IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(F)cc3F)n2)cc1 ZINC000012442207 520810907 /nfs/dbraw/zinc/81/09/07/520810907.db2.gz LWWKXIPQLAWVRC-UHFFFAOYSA-N 0 0 440.475 5.233 50 0 IKAARN CCC[C@@H](Sc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)C(=O)OCC ZINC000035848060 520812139 /nfs/dbraw/zinc/81/21/39/520812139.db2.gz WASYVXYEGRZCRU-LJQANCHMSA-N 0 0 429.973 5.335 50 0 IKAARN CCOc1ccc(-c2noc(-c3cnn4c3nc(C)c(Cc3ccccc3C)c4C)n2)cc1 ZINC000021657836 520825684 /nfs/dbraw/zinc/82/56/84/520825684.db2.gz NHCKREMODBXTGQ-UHFFFAOYSA-N 0 0 439.519 5.361 50 0 IKAARN CCOc1ccc(-n2c(S[C@H](C)c3nc(C)no3)nnc2-c2cccc(Cl)c2)cc1 ZINC000012747768 520836020 /nfs/dbraw/zinc/83/60/20/520836020.db2.gz WAUYMNRVLCTFIV-CYBMUJFWSA-N 0 0 441.944 5.531 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2S[C@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000012542869 520836738 /nfs/dbraw/zinc/83/67/38/520836738.db2.gz XJKOKULOLLHHHR-GOSISDBHSA-N 0 0 431.561 5.568 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2cccs2)cc1 ZINC000035681695 520837038 /nfs/dbraw/zinc/83/70/38/520837038.db2.gz UWLMOUXESFRJRG-UHFFFAOYSA-N 0 0 440.572 6.202 50 0 IKAARN C=C1C(N[C@H](C)C23CC4CC(CC(C4)C2)C3)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020465853 520839939 /nfs/dbraw/zinc/83/99/39/520839939.db2.gz JYAAUZRTTZMRKP-KNEUKCCGSA-N 0 0 426.626 5.477 50 0 IKAARN CCCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725351 520847270 /nfs/dbraw/zinc/84/72/70/520847270.db2.gz MNUIMVRJVXQXGG-INIZCTEOSA-N 0 0 448.548 5.144 50 0 IKAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002207611 520847309 /nfs/dbraw/zinc/84/73/09/520847309.db2.gz DZPBDMXGLOBEDH-MXBOTTGLSA-N 0 0 436.536 6.592 50 0 IKAARN CCCCOc1ccc(-c2cc3c(N4CCN(c5ccccc5F)CC4)nccn3n2)cc1 ZINC000033048711 520850995 /nfs/dbraw/zinc/85/09/95/520850995.db2.gz XNNDCEYDUYFZAG-UHFFFAOYSA-N 0 0 445.542 5.041 50 0 IKAARN CCCCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000002149810 520885847 /nfs/dbraw/zinc/88/58/47/520885847.db2.gz YRXOEKPCYSZKCA-UHFFFAOYSA-N 0 0 447.531 6.215 50 0 biogenic IKAARN CC1=C[C@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C ZINC000012653958 520888891 /nfs/dbraw/zinc/88/88/91/520888891.db2.gz OLBNGLBVDWDALE-RHRZQWJXSA-N 0 0 441.568 5.380 50 0 biogenic IKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012192348 520894841 /nfs/dbraw/zinc/89/48/41/520894841.db2.gz GNABHKPXYBDHEA-DGPALRBDSA-N 0 0 448.566 7.261 50 0 IKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC ZINC000021725537 520898600 /nfs/dbraw/zinc/89/86/00/520898600.db2.gz VCMSUQZIFUPCJF-MRXNPFEDSA-N 0 0 448.548 5.144 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705474 520907397 /nfs/dbraw/zinc/90/73/97/520907397.db2.gz VNEGEWDLPFFSBU-UHFFFAOYSA-N 0 0 442.475 5.153 50 0 IKAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)n1 ZINC000012568825 520913098 /nfs/dbraw/zinc/91/30/98/520913098.db2.gz IBCGSZSLDRYGKN-UHFFFAOYSA-N 0 0 446.981 5.447 50 0 IKAARN CCOc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1OCC ZINC000033048594 520915275 /nfs/dbraw/zinc/91/52/75/520915275.db2.gz DSAFFAIVCLCMHB-QHCPKHFHSA-N 0 0 443.503 5.053 50 0 IKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000021725929 520917097 /nfs/dbraw/zinc/91/70/97/520917097.db2.gz VGEOZHPCFGORGA-QGZVFWFLSA-N 0 0 432.549 5.443 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)cc1 ZINC000020532862 520919245 /nfs/dbraw/zinc/91/92/45/520919245.db2.gz DLMONXZOFSAKLP-UHFFFAOYSA-N 0 0 431.923 6.591 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000016678541 520920030 /nfs/dbraw/zinc/92/00/30/520920030.db2.gz HBTLYUKGROHPGG-UHFFFAOYSA-N 0 0 436.939 5.700 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn32)cc1 ZINC000012342021 520923908 /nfs/dbraw/zinc/92/39/08/520923908.db2.gz VLOOHTWGACHOJV-UHFFFAOYSA-N 0 0 427.504 5.020 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000012195832 520929886 /nfs/dbraw/zinc/92/98/86/520929886.db2.gz MYZOPMPZJVTFQF-ISKFKSNPSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2OCC)cc1 ZINC000012195852 520929964 /nfs/dbraw/zinc/92/99/64/520929964.db2.gz RMTZPAIRHOQBCJ-ZEQKJWHPSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)O2)cc1 ZINC000033726786 520930073 /nfs/dbraw/zinc/93/00/73/520930073.db2.gz BZNXKKAZUSTNJR-HYARGMPZSA-N 0 0 447.462 5.157 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012196596 520930101 /nfs/dbraw/zinc/93/01/01/520930101.db2.gz VLHRXUDAKOMLIY-JYFHCDHNSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000248247185 520930610 /nfs/dbraw/zinc/93/06/10/520930610.db2.gz MYBLUZCEHSODIU-DHLKQENFSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000012195867 520930967 /nfs/dbraw/zinc/93/09/67/520930967.db2.gz REHWOVJLBUKDGQ-AOYPEHQESA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000012196649 520932058 /nfs/dbraw/zinc/93/20/58/520932058.db2.gz UHWXIHJLBMOMJH-ZEQKJWHPSA-N 0 0 446.572 6.058 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000012196583 520932528 /nfs/dbraw/zinc/93/25/28/520932528.db2.gz MYBLUZCEHSODIU-RCZVLFRGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc(CCNC(=O)c2cc3c(s2)-c2cc(C)sc2CC3)cc1OCC ZINC000021043613 520953271 /nfs/dbraw/zinc/95/32/71/520953271.db2.gz DEYWINBBRGNIOH-UHFFFAOYSA-N 0 0 441.618 5.654 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1ccc(CC)cc1-2 ZINC000032997785 520980585 /nfs/dbraw/zinc/98/05/85/520980585.db2.gz IZQYLRJZIPTNNA-QHCPKHFHSA-N 0 0 434.565 5.437 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1OCC ZINC000021934144 520996014 /nfs/dbraw/zinc/99/60/14/520996014.db2.gz WCJWMPSGDIMVMB-UHFFFAOYSA-N 0 0 427.504 5.024 50 0 IKAARN CCOC(=O)[C@@H](C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)C1CCCCC1 ZINC000015686630 520999017 /nfs/dbraw/zinc/99/90/17/520999017.db2.gz UPSMKRFONYISLS-JOCHJYFZSA-N 0 0 436.577 5.970 50 0 IKAARN CCOc1ccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1OC ZINC000021538361 521006979 /nfs/dbraw/zinc/00/69/79/521006979.db2.gz CFWVGULBXCJVKA-HSZRJFAPSA-N 0 0 433.483 5.162 50 0 IKAARN CCOc1ccc(CN[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000021538350 521009559 /nfs/dbraw/zinc/00/95/59/521009559.db2.gz MVRXOIGZMHMQJO-QHCPKHFHSA-N 0 0 433.483 5.162 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000022670545 521018774 /nfs/dbraw/zinc/01/87/74/521018774.db2.gz WWVWOMROUWDYJT-MZNJEOGPSA-N 0 0 429.988 6.048 50 0 IKAARN CCN(CCCNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)c1ccccc1 ZINC000035509933 521019320 /nfs/dbraw/zinc/01/93/20/521019320.db2.gz SXSWETVTWGWEOK-UHFFFAOYSA-N 0 0 436.556 5.181 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000035928428 521019717 /nfs/dbraw/zinc/01/97/17/521019717.db2.gz VYZRWOYUFOWNJC-IQGLISFBSA-N 0 0 439.625 5.686 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000035927373 521021946 /nfs/dbraw/zinc/02/19/46/521021946.db2.gz DKFGDJMICCOZDF-VOIUYBSRSA-N 0 0 440.565 5.349 50 0 IKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)cc1 ZINC000016944190 521030652 /nfs/dbraw/zinc/03/06/52/521030652.db2.gz HIUUBPUKSMOAPZ-UHFFFAOYSA-N 0 0 426.516 5.391 50 0 IKAARN CCOc1ccc(N(Cc2cccs2)c2ncnc3c2cnn3-c2ccccc2C)cc1 ZINC000035681883 521030989 /nfs/dbraw/zinc/03/09/89/521030989.db2.gz RBRVFFCQGODDHT-UHFFFAOYSA-N 0 0 441.560 5.922 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000035912136 521036121 /nfs/dbraw/zinc/03/61/21/521036121.db2.gz VEQTUTPQJJVWIA-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CC1CCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccc(Cl)cc32)CC1 ZINC000020859666 521046393 /nfs/dbraw/zinc/04/63/93/521046393.db2.gz QLHDENYGGZGCJB-UHFFFAOYSA-N 0 0 445.876 5.853 50 0 IKAARN CCOc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 ZINC000021714298 521053292 /nfs/dbraw/zinc/05/32/92/521053292.db2.gz AEHZGYPFXBTTAH-UHFFFAOYSA-N 0 0 434.540 5.114 50 0 IKAARN CCOc1ccc(NC(=O)CN2CCc3c(CC)c(C)sc3[C@H]2c2ccccc2)cc1 ZINC000021045628 521061334 /nfs/dbraw/zinc/06/13/34/521061334.db2.gz UBLFSUQIXRJLQV-RUZDIDTESA-N 0 0 434.605 5.604 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 ZINC000009664224 521070239 /nfs/dbraw/zinc/07/02/39/521070239.db2.gz CCTJEDXOMYXXBB-UHFFFAOYSA-N 0 0 445.953 5.734 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC3(CC2)c2cccn2-c2ccc(C)cc2N3CC)cc1 ZINC000021944565 521082341 /nfs/dbraw/zinc/08/23/41/521082341.db2.gz IPFOHIICZOWZCA-UHFFFAOYSA-N 0 0 444.579 5.548 50 0 biogenic IKAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)CC(C)C ZINC000036046124 521084745 /nfs/dbraw/zinc/08/47/45/521084745.db2.gz XQJGIYHXQKMCQU-UHFFFAOYSA-N 0 0 446.595 5.496 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908793 521085988 /nfs/dbraw/zinc/08/59/88/521085988.db2.gz HOVAQURDLSOLMS-QHCPKHFHSA-N 0 0 445.494 6.402 50 0 IKAARN CCC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000035944057 521088779 /nfs/dbraw/zinc/08/87/79/521088779.db2.gz VXICBCXYDRBXHO-IBGZPJMESA-N 0 0 447.554 5.644 50 0 IKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000035980770 521089039 /nfs/dbraw/zinc/08/90/39/521089039.db2.gz BASALYIKPJEHCN-QFIPXVFZSA-N 0 0 433.552 5.105 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000022135271 521089701 /nfs/dbraw/zinc/08/97/01/521089701.db2.gz JQPDFXBPUNAHMP-SANMLTNESA-N 0 0 425.569 5.364 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000021879969 521090022 /nfs/dbraw/zinc/09/00/22/521090022.db2.gz BNHWCFXZZYJJAF-SANMLTNESA-N 0 0 441.531 5.755 50 0 IKAARN CCC(=O)N(Cc1ccco1)Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C ZINC000035944499 521091081 /nfs/dbraw/zinc/09/10/81/521091081.db2.gz WKBCAKFXAHODPO-UHFFFAOYSA-N 0 0 439.943 5.190 50 0 IKAARN CCC(=O)N1CCC(n2c3ccc(C(F)(F)F)cc3nc2-c2ccc3c(c2)OCO3)CC1 ZINC000012054991 521094041 /nfs/dbraw/zinc/09/40/41/521094041.db2.gz MUARYPSFSCYHTO-UHFFFAOYSA-N 0 0 445.441 5.024 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(CC)C(=O)c2ccccc2S3)cc1 ZINC000015671887 521098500 /nfs/dbraw/zinc/09/85/00/521098500.db2.gz LZFJHBPNQPJNKN-UHFFFAOYSA-N 0 0 433.533 5.861 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)C1 ZINC000035872130 521105259 /nfs/dbraw/zinc/10/52/59/521105259.db2.gz DNGAOYVGWYPHAB-ISKFKSNPSA-N 0 0 446.591 5.293 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Nc3cccc(SC)c3)nc3ccccc32)C1 ZINC000020212441 521108151 /nfs/dbraw/zinc/10/81/51/521108151.db2.gz KUJJKEAAYCSBGB-QGZVFWFLSA-N 0 0 449.576 5.116 50 0 IKAARN CCOc1ccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)cc1 ZINC000012250929 521120729 /nfs/dbraw/zinc/12/07/29/521120729.db2.gz PWRBAVJVMCTEAG-UHFFFAOYSA-N 0 0 449.532 5.214 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(c2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)C1 ZINC000035848804 521122596 /nfs/dbraw/zinc/12/25/96/521122596.db2.gz MGGVGVVYDBDHAI-LJQANCHMSA-N 0 0 449.620 5.135 50 0 IKAARN CCC[C@H](NC(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccccc1 ZINC000012820912 521127114 /nfs/dbraw/zinc/12/71/14/521127114.db2.gz KMRJXAUNYVZARD-KRWDZBQOSA-N 0 0 446.370 5.249 50 0 IKAARN CCOc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)cc1 ZINC000035622658 521137590 /nfs/dbraw/zinc/13/75/90/521137590.db2.gz AEATWRBFRMCMEM-UHFFFAOYSA-N 0 0 425.286 5.007 50 0 IKAARN CCOc1ccc(Nc2nc(-c3nnc(-c4ccc(OC)cc4)o3)nc3ccccc32)cc1 ZINC000035446332 521139591 /nfs/dbraw/zinc/13/95/91/521139591.db2.gz OMUPGDYXNQNJTD-UHFFFAOYSA-N 0 0 439.475 5.498 50 0 IKAARN CCOc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1 ZINC000035446316 521139677 /nfs/dbraw/zinc/13/96/77/521139677.db2.gz CTLCLSATMJFOBI-UHFFFAOYSA-N 0 0 427.439 5.628 50 0 IKAARN CCOc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000012651876 521140575 /nfs/dbraw/zinc/14/05/75/521140575.db2.gz NMKOCUCKUIWJOQ-UHFFFAOYSA-N 0 0 436.519 6.010 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927494 521162134 /nfs/dbraw/zinc/16/21/34/521162134.db2.gz ZFCMMLHFWVPJAI-SIBVEZHUSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1C(C)C ZINC000035927564 521164423 /nfs/dbraw/zinc/16/44/23/521164423.db2.gz SLCRYSJDINFKJM-SIBVEZHUSA-N 0 0 438.637 6.744 50 0 IKAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1ccc(CC)cc1 ZINC000032998125 521167257 /nfs/dbraw/zinc/16/72/57/521167257.db2.gz ZUBJBGNAGURXGC-NRFANRHFSA-N 0 0 440.956 5.311 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000012883116 521182726 /nfs/dbraw/zinc/18/27/26/521182726.db2.gz XDYGOHFVKHNOQV-OAHLLOKOSA-N 0 0 434.517 5.563 50 0 IKAARN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCC(=O)Nc2cc(C)on2)cc1 ZINC000012527859 521183458 /nfs/dbraw/zinc/18/34/58/521183458.db2.gz FLGJUTZGMSBFGR-UHFFFAOYSA-N 0 0 435.402 5.243 50 0 IKAARN CCC[C@H](Sc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1C)C(=O)OCC ZINC000035924547 521196076 /nfs/dbraw/zinc/19/60/76/521196076.db2.gz SMTAWVROBCUWNY-IBGZPJMESA-N 0 0 430.957 5.171 50 0 IKAARN CCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000035777608 521198510 /nfs/dbraw/zinc/19/85/10/521198510.db2.gz HRNWWULSNAZURC-UHFFFAOYSA-N 0 0 432.446 5.336 50 0 IKAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccc(Cl)cc4)ccc3[nH]2)cc1 ZINC000015863782 521205046 /nfs/dbraw/zinc/20/50/46/521205046.db2.gz PMZWWONULDZWGH-UHFFFAOYSA-N 0 0 446.938 5.086 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1 ZINC000035944277 521206555 /nfs/dbraw/zinc/20/65/55/521206555.db2.gz FVGYIZBPNUHEDQ-UHFFFAOYSA-N 0 0 449.982 5.597 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@@H](C)c2ccccc2)c1 ZINC000035945281 521206773 /nfs/dbraw/zinc/20/67/73/521206773.db2.gz KDCTZZFERAVQDJ-IBGZPJMESA-N 0 0 447.554 5.644 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)[C@@H](CC)c2ccccc2)c1 ZINC000035946068 521206898 /nfs/dbraw/zinc/20/68/98/521206898.db2.gz SQOBLNZLSHADHY-DEOSSOPVSA-N 0 0 447.579 5.417 50 0 IKAARN CCOc1ccc([C@@H]2CC(=O)N2C2(C(=O)Nc3ccc(C)cc3)CCCCC2)cc1OC ZINC000000720429 521242023 /nfs/dbraw/zinc/24/20/23/521242023.db2.gz QHVFAXIBHQTGID-NRFANRHFSA-N 0 0 436.552 5.017 50 0 IKAARN CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195724 521246020 /nfs/dbraw/zinc/24/60/20/521246020.db2.gz UJYHWDBTVWNJPQ-IGKIAQTJSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)s2)cc1 ZINC000012712522 521247911 /nfs/dbraw/zinc/24/79/11/521247911.db2.gz DLNXCOSYMBRHNT-AREMUKBSSA-N 0 0 445.588 5.734 50 0 IKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC ZINC000020892454 521248401 /nfs/dbraw/zinc/24/84/01/521248401.db2.gz SJZIFZBAPHNKEK-NRFANRHFSA-N 0 0 443.956 5.016 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195620 521248503 /nfs/dbraw/zinc/24/85/03/521248503.db2.gz ZGCRFNMTSNYNAW-NOZRDPDXSA-N 0 0 434.923 5.990 50 0 IKAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)OCCCO4)c(Cl)cc12 ZINC000041105510 521261206 /nfs/dbraw/zinc/26/12/06/521261206.db2.gz IHNMDOOZXOIGGN-UHFFFAOYSA-N 0 0 442.895 5.212 50 0 IKAARN CCCCc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 ZINC000033040038 521265489 /nfs/dbraw/zinc/26/54/89/521265489.db2.gz GMPDOZVJSZBISW-UHFFFAOYSA-N 0 0 436.602 6.960 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccnc4Cl)cc3n2)cc1 ZINC000012857467 521266031 /nfs/dbraw/zinc/26/60/31/521266031.db2.gz GVNYMYYXKZXWFD-UHFFFAOYSA-N 0 0 440.334 5.717 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(C)c3)cc2)cc1 ZINC000035910330 521268959 /nfs/dbraw/zinc/26/89/59/521268959.db2.gz HMNDZUJVONCOQX-MHZLTWQESA-N 0 0 444.600 6.369 50 0 IKAARN CCCCc1ccc(C(=O)N2CCN(c3nc(C4CC4)nc4sc(C)c(C)c43)CC2)cc1 ZINC000035866686 521269672 /nfs/dbraw/zinc/26/96/72/521269672.db2.gz VNNISXFLPSHULF-UHFFFAOYSA-N 0 0 448.636 5.491 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(F)cc3)c2)cc1 ZINC000035910153 521271965 /nfs/dbraw/zinc/27/19/65/521271965.db2.gz BISZCLKNOHRSPY-AREMUKBSSA-N 0 0 448.563 6.199 50 0 IKAARN CCOC(=O)[C@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 ZINC000012139528 521272895 /nfs/dbraw/zinc/27/28/95/521272895.db2.gz VAEJNZPMIWJVFA-LJQANCHMSA-N 0 0 435.423 5.379 50 0 IKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC ZINC000020892458 521275915 /nfs/dbraw/zinc/27/59/15/521275915.db2.gz SJZIFZBAPHNKEK-OAQYLSRUSA-N 0 0 443.956 5.016 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021889270 521276088 /nfs/dbraw/zinc/27/60/88/521276088.db2.gz JIYCMYXFCZLQAG-VWLOTQADSA-N 0 0 427.504 5.284 50 0 IKAARN CCOc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868330 521277202 /nfs/dbraw/zinc/27/72/02/521277202.db2.gz JMHDKOKBJNUEFO-LOSJGSFVSA-N 0 0 432.004 5.088 50 0 IKAARN CCCCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000020594902 521283523 /nfs/dbraw/zinc/28/35/23/521283523.db2.gz ZCDWXVVBOPFKHH-UHFFFAOYSA-N 0 0 439.606 5.639 50 0 IKAARN CCCCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022653595 521285878 /nfs/dbraw/zinc/28/58/78/521285878.db2.gz OQEFUGQEVHAOCK-UHFFFAOYSA-N 0 0 439.543 5.691 50 0 IKAARN CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)C1 ZINC000035872128 521289525 /nfs/dbraw/zinc/28/95/25/521289525.db2.gz DNGAOYVGWYPHAB-LADGPHEKSA-N 0 0 446.591 5.293 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(Cl)c3)sc2c1 ZINC000021660972 521298293 /nfs/dbraw/zinc/29/82/93/521298293.db2.gz PCCXXEDFDBOURK-INIZCTEOSA-N 0 0 438.940 5.317 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3Cl)sc2c1 ZINC000021660967 521298547 /nfs/dbraw/zinc/29/85/47/521298547.db2.gz WHVUFNJTAFPGHK-OAHLLOKOSA-N 0 0 438.940 5.317 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(CC)cc3)sc2c1 ZINC000033271673 521298554 /nfs/dbraw/zinc/29/85/54/521298554.db2.gz KRFQQJUJHISZQP-SFHVURJKSA-N 0 0 432.549 5.226 50 0 IKAARN CCOC(=O)[C@H]1CCCN(c2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)C1 ZINC000035848806 521303329 /nfs/dbraw/zinc/30/33/29/521303329.db2.gz MGGVGVVYDBDHAI-IBGZPJMESA-N 0 0 449.620 5.135 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cccnc3SCc3c(C)noc3C)sc2c1 ZINC000021973330 521304885 /nfs/dbraw/zinc/30/48/85/521304885.db2.gz VZXTYPQSUSNKJA-UHFFFAOYSA-N 0 0 440.550 5.239 50 0 IKAARN CCOc1ccc2nc(NC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)sc2c1 ZINC000020575106 521306102 /nfs/dbraw/zinc/30/61/02/521306102.db2.gz STKGMQODTLRQRG-UHFFFAOYSA-N 0 0 436.537 5.310 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(NCc3ccccc3)c2c1 ZINC000022574397 521310737 /nfs/dbraw/zinc/31/07/37/521310737.db2.gz NZKRRXDBPFXWLY-UHFFFAOYSA-N 0 0 448.544 5.087 50 0 IKAARN CCOc1ccc2oc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c(C)c2c1 ZINC000012688203 521310964 /nfs/dbraw/zinc/31/09/64/521310964.db2.gz DPAFUFNXKDBCNT-UHFFFAOYSA-N 0 0 447.560 5.407 50 0 IKAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@H](C)C3 ZINC000035866341 521313178 /nfs/dbraw/zinc/31/31/78/521313178.db2.gz MGJZPEOEFXBPNG-SFHVURJKSA-N 0 0 448.636 5.121 50 0 IKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 ZINC000016693194 521326270 /nfs/dbraw/zinc/32/62/70/521326270.db2.gz PQBBXOUJFAXWTE-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN CCCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026825 521332606 /nfs/dbraw/zinc/33/26/06/521332606.db2.gz YKAHOJQOQQQMTA-UHFFFAOYSA-N 0 0 441.466 5.419 50 0 IKAARN CCCc1c(C(=O)NCCSCc2c(F)cccc2Cl)cnn1-c1ccccc1 ZINC000012340442 521333110 /nfs/dbraw/zinc/33/31/10/521333110.db2.gz OVHYHUQBYJKUTB-UHFFFAOYSA-N 0 0 431.964 5.281 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 ZINC000016192961 521364973 /nfs/dbraw/zinc/36/49/73/521364973.db2.gz PZRBVADPKFNFKU-ACJLOTCBSA-N 0 0 433.415 6.481 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccn1 ZINC000012593892 521370418 /nfs/dbraw/zinc/37/04/18/521370418.db2.gz DOISAMDSGBKQGX-UHFFFAOYSA-N 0 0 431.311 5.002 50 0 IKAARN CCC(C)(C)c1ccc(OCCCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C(C)(C)CC)c1 ZINC000020562887 521370721 /nfs/dbraw/zinc/37/07/21/521370721.db2.gz DDYQKMQXNMCKSX-LOSJGSFVSA-N 0 0 449.679 7.141 50 0 IKAARN CCC(C)(C)c1ccc2c(c1)N(Cc1cccc(C(=O)NC3CCCCC3)c1)C(=O)CO2 ZINC000035241231 521371195 /nfs/dbraw/zinc/37/11/95/521371195.db2.gz MTZLHPFSGWRAKN-UHFFFAOYSA-N 0 0 434.580 5.362 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3cccc(C)c3O)cc2)cc1 ZINC000012623592 521371258 /nfs/dbraw/zinc/37/12/58/521371258.db2.gz XHHZHPVGACTYPN-UHFFFAOYSA-N 0 0 447.531 5.976 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccoc1C ZINC000013895100 521371663 /nfs/dbraw/zinc/37/16/63/521371663.db2.gz WCVSMICLUQCPFA-UHFFFAOYSA-N 0 0 434.311 5.508 50 0 IKAARN CCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2c3ccccc3oc2c1=O ZINC000009749570 521371967 /nfs/dbraw/zinc/37/19/67/521371967.db2.gz ZMQRUGKXJDYKSS-UHFFFAOYSA-N 0 0 449.576 5.797 50 0 IKAARN CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2sc(C)c(C)c2c1=O ZINC000012924967 521372050 /nfs/dbraw/zinc/37/20/50/521372050.db2.gz SRBCNTWMYBEWGC-HNNXBMFYSA-N 0 0 445.610 5.003 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274392 521372662 /nfs/dbraw/zinc/37/26/62/521372662.db2.gz YLVOTLOORFJOMP-UHFFFAOYSA-N 0 0 435.526 5.419 50 0 IKAARN CCCc1ccc(-c2ccc(-c3nc(=S)[nH]cc3-c3ccc(Cl)cc3)cc2)c(F)c1 ZINC000012858582 521387726 /nfs/dbraw/zinc/38/77/26/521387726.db2.gz CKKJAFHLAOPGCW-UHFFFAOYSA-N 0 0 434.967 7.511 50 0 IKAARN CCOC(=O)c1c(C)n(CCOc2ccc(Cl)cc2C)c2c1cc(O)c1ccccc21 ZINC000016683029 521399034 /nfs/dbraw/zinc/39/90/34/521399034.db2.gz AOXANOQSISKBKU-UHFFFAOYSA-N 0 0 437.923 6.026 50 0 IKAARN CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCc1ncc(-c2ccc(F)cc2)o1 ZINC000012890592 521400031 /nfs/dbraw/zinc/40/00/31/521400031.db2.gz KJZGLOLXAGQJAP-UHFFFAOYSA-N 0 0 439.468 5.308 50 0 IKAARN CCCc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022649295 521405965 /nfs/dbraw/zinc/40/59/65/521405965.db2.gz JVMVHZCVJNHSSR-UHFFFAOYSA-N 0 0 439.543 5.691 50 0 IKAARN CCCc1ccc(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023326768 521406907 /nfs/dbraw/zinc/40/69/07/521406907.db2.gz QNCWQHIULZNDQN-UHFFFAOYSA-N 0 0 447.644 6.340 50 0 IKAARN CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000021345687 521410466 /nfs/dbraw/zinc/41/04/66/521410466.db2.gz FSNZXFKCWAYOTI-UHFFFAOYSA-N 0 0 435.549 5.127 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023442896 521411710 /nfs/dbraw/zinc/41/17/10/521411710.db2.gz BOMCINWCHMEANN-SFTDATJTSA-N 0 0 447.600 6.330 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccco2)c(-c2cccc(F)c2)cn1Cc1ccccc1 ZINC000023462412 521413215 /nfs/dbraw/zinc/41/32/15/521413215.db2.gz NXFFHPNPLQVLQU-UHFFFAOYSA-N 0 0 432.451 5.365 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@@H](CC)C2 ZINC000017094761 521413236 /nfs/dbraw/zinc/41/32/36/521413236.db2.gz ZNMMCAWKRANSEW-LLVKDONJSA-N 0 0 426.365 5.999 50 0 IKAARN CCCN(C(=O)C1CC1)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000035689264 521413645 /nfs/dbraw/zinc/41/36/45/521413645.db2.gz RKJMJLZTXFSJAJ-OAQYLSRUSA-N 0 0 441.934 5.278 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023441268 521413883 /nfs/dbraw/zinc/41/38/83/521413883.db2.gz LOWYNMSGFUVTJG-KRWDZBQOSA-N 0 0 435.545 5.458 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1sc(-c3ccccc3)nc1C)C[C@@H](C)CC2 ZINC000021785281 521418115 /nfs/dbraw/zinc/41/81/15/521418115.db2.gz SYBAAIADWHZJTQ-ZDUSSCGKSA-N 0 0 440.590 5.734 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2OC)c1 ZINC000021715738 521418247 /nfs/dbraw/zinc/41/82/47/521418247.db2.gz LFZWSNWFVSROMW-AREMUKBSSA-N 0 0 426.516 5.363 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)c3cccc(C)c3)CC2)n1 ZINC000023336067 521423256 /nfs/dbraw/zinc/42/32/56/521423256.db2.gz UAJVVXFGBFZBTG-UHFFFAOYSA-N 0 0 445.563 5.075 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C3CCCCC3)c2)n(-c2ccccc2C)n1 ZINC000023430217 521425588 /nfs/dbraw/zinc/42/55/88/521425588.db2.gz VULQKVRFKITJQD-UHFFFAOYSA-N 0 0 431.536 5.543 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(OC)c2)c1 ZINC000021715698 521426131 /nfs/dbraw/zinc/42/61/31/521426131.db2.gz CLVOSYKITDDEBW-SANMLTNESA-N 0 0 426.516 5.363 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)c1 ZINC000021715726 521426519 /nfs/dbraw/zinc/42/65/19/521426519.db2.gz PIFYIHDTSPUHLV-SANMLTNESA-N 0 0 440.499 5.083 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000023425791 521427116 /nfs/dbraw/zinc/42/71/16/521427116.db2.gz ITOZCFSXUDBDQR-UHFFFAOYSA-N 0 0 431.536 5.087 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000012196265 521432769 /nfs/dbraw/zinc/43/27/69/521432769.db2.gz FJGWBBGQOFPIDQ-UQBPGWFLSA-N 0 0 434.492 5.246 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccs3)C[C@H]21 ZINC000012196468 521432878 /nfs/dbraw/zinc/43/28/78/521432878.db2.gz AHUSSJIDWJMZJW-AUSIDOKSSA-N 0 0 434.517 5.176 50 0 IKAARN CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)n1 ZINC000023330041 521432766 /nfs/dbraw/zinc/43/27/66/521432766.db2.gz COORWVRLHBZAHU-HXUWFJFHSA-N 0 0 447.579 5.171 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000034138853 521432893 /nfs/dbraw/zinc/43/28/93/521432893.db2.gz XTSMIDOFTBCBDS-RDGATRHJSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000034138852 521432952 /nfs/dbraw/zinc/43/29/52/521432952.db2.gz COEVEHAWLCVMMA-RDGATRHJSA-N 0 0 434.923 5.990 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(CC)cc2)c1 ZINC000035927464 521433337 /nfs/dbraw/zinc/43/33/37/521433337.db2.gz SVJXXRHAEJEYRE-HHHXNRCGSA-N 0 0 444.600 6.232 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000035927416 521433415 /nfs/dbraw/zinc/43/34/15/521433415.db2.gz VGMHMRNJSBUKSA-AREMUKBSSA-N 0 0 436.621 6.327 50 0 IKAARN CCOc1cccc2c1cc(C(=O)NCc1ccc3c(c1)OCO3)n2Cc1ccccc1C ZINC000035927945 521434408 /nfs/dbraw/zinc/43/44/08/521434408.db2.gz KEUQFNPKJIYLIR-UHFFFAOYSA-N 0 0 442.515 5.055 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000020738369 521434984 /nfs/dbraw/zinc/43/49/84/521434984.db2.gz FIGHEMPIEHXWQQ-ZEQKJWHPSA-N 0 0 446.572 6.058 50 0 IKAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)Sc2ccccc2C(=O)N3C)no1 ZINC000035453763 521438723 /nfs/dbraw/zinc/43/87/23/521438723.db2.gz DSPXZNGYBDQGTK-UHFFFAOYSA-N 0 0 429.501 5.544 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)cs1 ZINC000012914867 521439049 /nfs/dbraw/zinc/43/90/49/521439049.db2.gz RCBWFHKGIBPQIT-UHFFFAOYSA-N 0 0 434.483 5.129 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604318 521445244 /nfs/dbraw/zinc/44/52/44/521445244.db2.gz KYXDXCOZVPFKRV-UHFFFAOYSA-N 0 0 443.450 5.528 50 0 IKAARN CCOc1ccccc1/C=C/C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000012856941 521447161 /nfs/dbraw/zinc/44/71/61/521447161.db2.gz USJQQFCUMORJJG-APOCOGJHSA-N 0 0 442.559 5.847 50 0 IKAARN CCOc1ccccc1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000034915306 521452513 /nfs/dbraw/zinc/45/25/13/521452513.db2.gz UAPOBOXIHKPTGY-UHFFFAOYSA-N 0 0 439.559 5.503 50 0 IKAARN CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)o2)cc1 ZINC000000720152 521458971 /nfs/dbraw/zinc/45/89/71/521458971.db2.gz FHLQCMNORAUNIV-RUZDIDTESA-N 0 0 438.483 5.894 50 0 IKAARN CCOc1ccccc1C1=N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000023882996 521464998 /nfs/dbraw/zinc/46/49/98/521464998.db2.gz ZNGQJJLTFDVURV-QGOAFFKASA-N 0 0 438.277 5.452 50 0 IKAARN CCOc1ccccc1C1=N/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C(=O)O1 ZINC000012619478 521465406 /nfs/dbraw/zinc/46/54/06/521465406.db2.gz SOQKHABFZKZASS-QNGOZBTKSA-N 0 0 429.472 5.017 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000012917510 521466176 /nfs/dbraw/zinc/46/61/76/521466176.db2.gz CCYIGQNCLXTSGT-RFBIWTDZSA-N 0 0 439.471 5.394 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000035945001 521483161 /nfs/dbraw/zinc/48/31/61/521483161.db2.gz UBXNIFZKJFXPQH-QFIPXVFZSA-N 0 0 445.648 5.071 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)CC1CC1 ZINC000035946283 521483605 /nfs/dbraw/zinc/48/36/05/521483605.db2.gz AZSMQJRRGCFLLX-UHFFFAOYSA-N 0 0 439.575 5.319 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C1CC1 ZINC000035945301 521483682 /nfs/dbraw/zinc/48/36/82/521483682.db2.gz NGJRDRMKYLBQKQ-UHFFFAOYSA-N 0 0 442.003 5.586 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(C)c3)C2=O)cc1 ZINC000012311973 521484357 /nfs/dbraw/zinc/48/43/57/521484357.db2.gz VPZXOEQOXCPJFL-JLPGSUDCSA-N 0 0 440.499 5.120 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3Cl)C2=O)cc1 ZINC000012311942 521484870 /nfs/dbraw/zinc/48/48/70/521484870.db2.gz FNQSDOODRZRIHC-HKWRFOASSA-N 0 0 446.890 5.157 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000035945463 521485365 /nfs/dbraw/zinc/48/53/65/521485365.db2.gz ZQOJPGUCIYIZEX-UHFFFAOYSA-N 0 0 439.600 5.439 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccccc1)Cc1cc(NC(=O)NC(C)C)ccc1N(C)C ZINC000035944786 521486175 /nfs/dbraw/zinc/48/61/75/521486175.db2.gz QDPNURYQSSHZKV-UHFFFAOYSA-N 0 0 438.616 5.248 50 0 IKAARN CCC(CC)C(=O)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1 ZINC000012455404 521486202 /nfs/dbraw/zinc/48/62/02/521486202.db2.gz HXAKOTGZBZPVDN-DEOSSOPVSA-N 0 0 427.560 5.391 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000021985881 521488247 /nfs/dbraw/zinc/48/82/47/521488247.db2.gz VRSMJNVXOITYPE-FSDIUQKZSA-N 0 0 447.619 7.333 50 0 IKAARN CCC(CC)C(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000035744485 521489843 /nfs/dbraw/zinc/48/98/43/521489843.db2.gz NYMBZOPEJBMWND-UHFFFAOYSA-N 0 0 448.394 5.331 50 0 IKAARN CCOc1ccccc1CNC(=O)c1sc2ncnc(N(C)C3CCCCC3)c2c1C ZINC000033078891 521502724 /nfs/dbraw/zinc/50/27/24/521502724.db2.gz IREGQERMUJSTSQ-UHFFFAOYSA-N 0 0 438.597 5.097 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)NCc2ccc(-c3cccc(F)c3)c3ccncc23)cc1 ZINC000035844625 521505922 /nfs/dbraw/zinc/50/59/22/521505922.db2.gz ATWQGTLKZLTNHZ-UHFFFAOYSA-N 0 0 443.478 5.539 50 0 IKAARN CCOc1ccccc1N(C(=O)CCc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000012902551 521509518 /nfs/dbraw/zinc/50/95/18/521509518.db2.gz HPMQHJZXBGNCTO-UHFFFAOYSA-N 0 0 446.528 5.721 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000035924930 521514125 /nfs/dbraw/zinc/51/41/25/521514125.db2.gz YVFFNMNRHZISJR-XMMPIXPASA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000035924904 521514804 /nfs/dbraw/zinc/51/48/04/521514804.db2.gz QGFDSFRKKSXWCV-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000035924910 521514847 /nfs/dbraw/zinc/51/48/47/521514847.db2.gz LQELZVPZUFJROG-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000035924929 521514904 /nfs/dbraw/zinc/51/49/04/521514904.db2.gz YVFFNMNRHZISJR-DEOSSOPVSA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000035924906 521514921 /nfs/dbraw/zinc/51/49/21/521514921.db2.gz IYYUGXLESXZSAK-RUZDIDTESA-N 0 0 438.593 5.773 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2OC)c1 ZINC000035925060 521514939 /nfs/dbraw/zinc/51/49/39/521514939.db2.gz ADPWIJMKRPWJES-RUZDIDTESA-N 0 0 448.544 5.125 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(C)cc4)ccc3c2N)cc1 ZINC000035682594 521517302 /nfs/dbraw/zinc/51/73/02/521517302.db2.gz RCQOSGGXLGQZMY-UHFFFAOYSA-N 0 0 431.517 5.283 50 0 IKAARN CCOc1ccccc1NC(=O)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012412488 521522027 /nfs/dbraw/zinc/52/20/27/521522027.db2.gz UCGXANIOEQVELR-UHFFFAOYSA-N 0 0 432.907 5.563 50 0 IKAARN CCOC(=O)c1ccc2c(c1)n(CN1CCC(Cc3ccccc3)CC1)c(=S)n2CC ZINC000012619245 521530948 /nfs/dbraw/zinc/53/09/48/521530948.db2.gz VFDMCATWLWTRIR-UHFFFAOYSA-N 0 0 437.609 5.281 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(OC)c(C)c1)n2Cc1ccco1 ZINC000023456664 521532320 /nfs/dbraw/zinc/53/23/20/521532320.db2.gz YBFXFFOSCUKSQM-UHFFFAOYSA-N 0 0 436.533 5.464 50 0 IKAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1cccc(CC)c1 ZINC000034865656 521533680 /nfs/dbraw/zinc/53/36/80/521533680.db2.gz USIJSEVAZBHFKW-UHFFFAOYSA-N 0 0 447.579 5.357 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000021879967 521540781 /nfs/dbraw/zinc/54/07/81/521540781.db2.gz QFVAOBVIUCGKOU-AREMUKBSSA-N 0 0 441.531 5.755 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888859 521541202 /nfs/dbraw/zinc/54/12/02/521541202.db2.gz SVQBESQZEQWZSW-AREMUKBSSA-N 0 0 441.506 6.152 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)s1 ZINC000035131962 521555758 /nfs/dbraw/zinc/55/57/58/521555758.db2.gz KMXJZMZEEIXZOB-MRXNPFEDSA-N 0 0 427.595 5.969 50 0 IKAARN CCOC(=O)c1cnc2c(-c3ccc(OCC)c(OCC)c3)c(C)nn2c1-c1ccccc1 ZINC000020920520 521575092 /nfs/dbraw/zinc/57/50/92/521575092.db2.gz LYMRVQZQEKDEGI-UHFFFAOYSA-N 0 0 445.519 5.346 50 0 IKAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C)c(Cl)c1 ZINC000021788119 521590778 /nfs/dbraw/zinc/59/07/78/521590778.db2.gz KEUXOTBHZRYJCA-OAQYLSRUSA-N 0 0 427.957 5.316 50 0 IKAARN CCOC(=O)c1csc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC000016956885 521592342 /nfs/dbraw/zinc/59/23/42/521592342.db2.gz HALKNDOFYAVTDV-IBGZPJMESA-N 0 0 446.359 5.982 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 ZINC000012528064 521592672 /nfs/dbraw/zinc/59/26/72/521592672.db2.gz FKUFYGKZRZDOMR-CVEARBPZSA-N 0 0 444.580 5.142 50 0 IKAARN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)c12 ZINC000040132067 521594372 /nfs/dbraw/zinc/59/43/72/521594372.db2.gz TUFNOILGNNFDNF-UHFFFAOYSA-N 0 0 427.888 5.120 50 0 IKAARN CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OCC)cc2)oc1C ZINC000017287326 521616744 /nfs/dbraw/zinc/61/67/44/521616744.db2.gz OLDTYBAWXZKSPE-UHFFFAOYSA-N 0 0 435.549 5.461 50 0 IKAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc2[nH]c3ccccc3n21 ZINC000012565402 521618374 /nfs/dbraw/zinc/61/83/74/521618374.db2.gz GKUNNVXAJJAXEM-UHFFFAOYSA-N 0 0 426.498 5.033 50 0 IKAARN CCCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000012856780 521634708 /nfs/dbraw/zinc/63/47/08/521634708.db2.gz DSGXYMOZPMCRTI-UHFFFAOYSA-N 0 0 446.363 5.191 50 0 IKAARN CCS(=O)(=O)N1CCC(c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc32)CC1 ZINC000021885546 521662061 /nfs/dbraw/zinc/66/20/61/521662061.db2.gz SVCYLKMMMOPNHS-UHFFFAOYSA-N 0 0 431.001 5.181 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)c1ccco1 ZINC000035980525 521678342 /nfs/dbraw/zinc/67/83/42/521678342.db2.gz GNMFRTFOQIRHQF-UHFFFAOYSA-N 0 0 445.519 5.533 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(=O)c1ccco1 ZINC000035980246 521678581 /nfs/dbraw/zinc/67/85/81/521678581.db2.gz PXHZQVOIINVPKB-UHFFFAOYSA-N 0 0 445.519 5.533 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CCCC1 ZINC000035980750 521678645 /nfs/dbraw/zinc/67/86/45/521678645.db2.gz FDNBKUDQUMBTDN-UHFFFAOYSA-N 0 0 431.580 6.117 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)c1ccccc1 ZINC000035980746 521678693 /nfs/dbraw/zinc/67/86/93/521678693.db2.gz GPYKZGVBPIAPTI-UHFFFAOYSA-N 0 0 439.559 6.240 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(=O)c1ccco1 ZINC000035980606 521678756 /nfs/dbraw/zinc/67/87/56/521678756.db2.gz UYKRCUSHTYKTAS-UHFFFAOYSA-N 0 0 445.519 5.533 50 0 IKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)C1CC1 ZINC000035977704 521678951 /nfs/dbraw/zinc/67/89/51/521678951.db2.gz SZBZVKOLFPUXFT-UHFFFAOYSA-N 0 0 435.543 6.076 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)COC ZINC000035980174 521679196 /nfs/dbraw/zinc/67/91/96/521679196.db2.gz JTOCUMXPOGHROQ-UHFFFAOYSA-N 0 0 427.932 5.011 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)NC(C)(C)C ZINC000035978578 521679275 /nfs/dbraw/zinc/67/92/75/521679275.db2.gz MYHPKSXCWAXQBT-UHFFFAOYSA-N 0 0 434.584 6.002 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)C1CCC1 ZINC000035976291 521679387 /nfs/dbraw/zinc/67/93/87/521679387.db2.gz ZKRJYPGUBQWCHP-UHFFFAOYSA-N 0 0 439.506 5.790 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)NC(C)C ZINC000035978359 521679404 /nfs/dbraw/zinc/67/94/04/521679404.db2.gz HZNRUQKVTOLOQF-UHFFFAOYSA-N 0 0 442.510 5.581 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C(=O)CC ZINC000035975369 521679509 /nfs/dbraw/zinc/67/95/09/521679509.db2.gz VCLQVMWETNCCDT-UHFFFAOYSA-N 0 0 441.959 5.784 50 0 IKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)COC ZINC000035977711 521679568 /nfs/dbraw/zinc/67/95/68/521679568.db2.gz DFCTYEVUHJBDGJ-UHFFFAOYSA-N 0 0 439.531 5.312 50 0 IKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(Cl)cc1 ZINC000035972216 521679582 /nfs/dbraw/zinc/67/95/82/521679582.db2.gz FYQKACVRTGSFNX-UHFFFAOYSA-N 0 0 439.003 5.768 50 0 IKAARN CCCN(Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccc(F)cc1F)C(C)=O ZINC000035972384 521680401 /nfs/dbraw/zinc/68/04/01/521680401.db2.gz IZDXZPSNZPEOSH-UHFFFAOYSA-N 0 0 443.494 5.272 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000035944365 521681172 /nfs/dbraw/zinc/68/11/72/521681172.db2.gz RWTNRQGTZKOXOJ-QHCPKHFHSA-N 0 0 447.579 5.530 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)c1ccco1 ZINC000035944575 521681273 /nfs/dbraw/zinc/68/12/73/521681273.db2.gz JQFGLCDWAULCDR-UHFFFAOYSA-N 0 0 439.943 5.304 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)N=C1c1ccccc1 ZINC000020578539 521695098 /nfs/dbraw/zinc/69/50/98/521695098.db2.gz KQJGCZLIVKZVLT-UHFFFAOYSA-N 0 0 444.963 5.458 50 0 IKAARN CCSC1=C(SCC)SC(=C2SC(SCC)=C(SCC)S2)S1 ZINC000012561775 521695163 /nfs/dbraw/zinc/69/51/63/521695163.db2.gz LLDJYFLUQDMPQI-UHFFFAOYSA-N 0 0 444.850 8.339 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578450 521695512 /nfs/dbraw/zinc/69/55/12/521695512.db2.gz IURZEBWJOFBLSS-UHFFFAOYSA-N 0 0 434.609 5.590 50 0 IKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(SC)cc1 ZINC000021889481 521711742 /nfs/dbraw/zinc/71/17/42/521711742.db2.gz UUDDBNWZJIJKMV-XMMPIXPASA-N 0 0 435.593 5.240 50 0 IKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(SC)cc1 ZINC000021889476 521711867 /nfs/dbraw/zinc/71/18/67/521711867.db2.gz UUDDBNWZJIJKMV-DEOSSOPVSA-N 0 0 435.593 5.240 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(C)c1C)CC2 ZINC000021100959 521730367 /nfs/dbraw/zinc/73/03/67/521730367.db2.gz DIUOUZCUXYOEBT-UHFFFAOYSA-N 0 0 428.580 5.766 50 0 biogenic IKAARN CCN1c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2Sc2ccccc2C1=O ZINC000035453794 521730447 /nfs/dbraw/zinc/73/04/47/521730447.db2.gz MLRWYXJBSXQYDD-UHFFFAOYSA-N 0 0 443.484 5.264 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000021100934 521730464 /nfs/dbraw/zinc/73/04/64/521730464.db2.gz UIJSYVABZWFYOF-UHFFFAOYSA-N 0 0 434.971 5.802 50 0 biogenic IKAARN CCN1c2cc(NC(=O)N[C@H]3CCCc4ccccc43)ccc2Sc2ccccc2C1=O ZINC000021525841 521730535 /nfs/dbraw/zinc/73/05/35/521730535.db2.gz FOYWSGSTYYATAX-NRFANRHFSA-N 0 0 443.572 6.017 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(C)cc1Cl)CC2 ZINC000021100988 521730538 /nfs/dbraw/zinc/73/05/38/521730538.db2.gz KYJKYPCJCJNEPU-UHFFFAOYSA-N 0 0 448.998 6.111 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(C)cc1C)CC2 ZINC000021101096 521730555 /nfs/dbraw/zinc/73/05/55/521730555.db2.gz KWYNCDRMBKHGHT-UHFFFAOYSA-N 0 0 428.580 5.766 50 0 biogenic IKAARN CCNC(=O)N(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000035971055 521739495 /nfs/dbraw/zinc/73/94/95/521739495.db2.gz RPKXJHSKVBMVPH-UHFFFAOYSA-N 0 0 430.508 5.298 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000035980331 521739519 /nfs/dbraw/zinc/73/95/19/521739519.db2.gz FSFDTEXKXARQPS-UHFFFAOYSA-N 0 0 438.959 5.568 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000035978386 521739523 /nfs/dbraw/zinc/73/95/23/521739523.db2.gz RGBKEOQUGWXGML-UHFFFAOYSA-N 0 0 436.556 5.169 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C1CC1 ZINC000035978150 521739538 /nfs/dbraw/zinc/73/95/38/521739538.db2.gz LIUTZGGAKWTDGK-UHFFFAOYSA-N 0 0 442.922 5.459 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@@H](CC)c2ccccc2)[C@H](C)CC)c1 ZINC000035945519 521743014 /nfs/dbraw/zinc/74/30/14/521743014.db2.gz OYIWVUFOCPYWQY-XXBNENTESA-N 0 0 438.616 5.215 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000009636861 521754379 /nfs/dbraw/zinc/75/43/79/521754379.db2.gz VNJADNSZYHVUNR-UHFFFAOYSA-N 0 0 433.485 5.177 50 0 IKAARN CCc1cccc(NC(=O)N2CCN(c3nc(CC)nc4sc5c(c43)CCCC5)CC2)c1 ZINC000035867168 521758419 /nfs/dbraw/zinc/75/84/19/521758419.db2.gz PGYJTTUABVPQPM-UHFFFAOYSA-N 0 0 449.624 5.049 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2)sc(C)c1-c1ccc(F)cc1 ZINC000035393710 521762468 /nfs/dbraw/zinc/76/24/68/521762468.db2.gz DZUYEFIRZKMCOG-XGICHPGQSA-N 0 0 429.900 5.955 50 0 IKAARN CCc1cccc(NC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)c1 ZINC000020939420 521768592 /nfs/dbraw/zinc/76/85/92/521768592.db2.gz FHSHXHHFVGGLCJ-UHFFFAOYSA-N 0 0 446.576 5.657 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)s1)CCCC2 ZINC000035561872 521783754 /nfs/dbraw/zinc/78/37/54/521783754.db2.gz HEDNIWPNJHTGAP-MRXNPFEDSA-N 0 0 432.611 5.933 50 0 IKAARN COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1cccc(F)c1 ZINC000020986892 521783865 /nfs/dbraw/zinc/78/38/65/521783865.db2.gz XPTFBCYMKNEFRA-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN COC(=O)c1c(SCc2ccccc2)nc2ccccc2c1OCc1cccc(OC)c1 ZINC000020986878 521784986 /nfs/dbraw/zinc/78/49/86/521784986.db2.gz XJMMYQFRCFJINQ-UHFFFAOYSA-N 0 0 445.540 5.901 50 0 IKAARN CCc1cccc2c(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)c[nH]c21 ZINC000015008694 521786345 /nfs/dbraw/zinc/78/63/45/521786345.db2.gz ACBNUXCJQCOFNV-FBCYGCLPSA-N 0 0 440.908 5.349 50 0 IKAARN CCc1cccc2c(C(=O)[C@@H](Sc3nncn3Cc3ccco3)c3ccccc3)c[nH]c21 ZINC000022193698 521787524 /nfs/dbraw/zinc/78/75/24/521787524.db2.gz PRCAENZLSVITBF-DEOSSOPVSA-N 0 0 442.544 5.679 50 0 IKAARN CCc1cccc2c(C(=O)[C@@H](Sc3nnc(-c4cccnc4)o3)c3ccccc3)c[nH]c21 ZINC000022149127 521788968 /nfs/dbraw/zinc/78/89/68/521788968.db2.gz TVGJLYCPEANQMR-QHCPKHFHSA-N 0 0 440.528 5.892 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NC3CCCCC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035908229 521793372 /nfs/dbraw/zinc/79/33/72/521793372.db2.gz YNOSICHFYBNIKP-FQEVSTJZSA-N 0 0 443.418 7.008 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccc4c(c3)OCO4)c3cccc(F)c3)c[nH]c21 ZINC000035889287 521793791 /nfs/dbraw/zinc/79/37/91/521793791.db2.gz FMHSBIHRAMERQE-QFIPXVFZSA-N 0 0 444.506 5.437 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCC(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908400 521794475 /nfs/dbraw/zinc/79/44/75/521794475.db2.gz JCUQMUTZLANPLH-HXUWFJFHSA-N 0 0 430.514 6.433 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccccc3OC)c[nH]c21 ZINC000035908352 521794750 /nfs/dbraw/zinc/79/47/50/521794750.db2.gz MLJSPQRROVMACV-YADARESESA-N 0 0 426.560 6.138 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)c3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888639 521794957 /nfs/dbraw/zinc/79/49/57/521794957.db2.gz HAHHFULDITVPQP-HOYKHHGWSA-N 0 0 430.979 6.783 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3cccc(Oc4ccccc4)c3)c[nH]c21 ZINC000035471714 521795555 /nfs/dbraw/zinc/79/55/55/521795555.db2.gz FUOVRIPMKKZCFP-AREMUKBSSA-N 0 0 438.571 6.667 50 0 IKAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000012817384 521809785 /nfs/dbraw/zinc/80/97/85/521809785.db2.gz ZGNMAIODBPOYCZ-UHFFFAOYSA-N 0 0 438.527 5.078 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000016362372 521809940 /nfs/dbraw/zinc/80/99/40/521809940.db2.gz UPAVFVCPVFYGID-UHFFFAOYSA-N 0 0 429.303 5.815 50 0 IKAARN CC[C@@H](C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1cc(F)ccc1F)c1ccccc1 ZINC000023455208 521812798 /nfs/dbraw/zinc/81/27/98/521812798.db2.gz JTKOSGLDBRZVHU-OAQYLSRUSA-N 0 0 434.486 6.137 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1Cl ZINC000001064878 521836575 /nfs/dbraw/zinc/83/65/75/521836575.db2.gz MJQGMSFMUHEASR-UHFFFAOYSA-N 0 0 449.256 5.110 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532395 521847086 /nfs/dbraw/zinc/84/70/86/521847086.db2.gz IEJJIDXSXJZKRB-QFIPXVFZSA-N 0 0 448.567 5.439 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1c(SCc2cccc(C)c2)nc2cccnc21 ZINC000020532371 521847517 /nfs/dbraw/zinc/84/75/17/521847517.db2.gz LAUQJKMIMVJAJM-QHCPKHFHSA-N 0 0 444.604 5.608 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000035925065 521852571 /nfs/dbraw/zinc/85/25/71/521852571.db2.gz FTOUSHYLWSZBSB-DEOSSOPVSA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccccc1N1C(=O)/C(=C/c2ccc(C)cc2)N=C1SCc1ccc(F)cc1 ZINC000016091171 521853228 /nfs/dbraw/zinc/85/32/28/521853228.db2.gz NRPXRQFHEKVQGS-KQWNVCNZSA-N 0 0 430.548 6.374 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)[C@H](CC)c2ccccc2)c1 ZINC000035925114 521853476 /nfs/dbraw/zinc/85/34/76/521853476.db2.gz XCCJEWSKBNHDNU-YIXXDRMTSA-N 0 0 444.600 6.160 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)n1ccc(C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000020617454 521864450 /nfs/dbraw/zinc/86/44/50/521864450.db2.gz YZAQCDOFWHFAEY-FQEVSTJZSA-N 0 0 445.350 5.649 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@H](C)O2)c1ccccc1 ZINC000035873171 521870480 /nfs/dbraw/zinc/87/04/80/521870480.db2.gz KADQTGBJZLUPNG-YADARESESA-N 0 0 428.532 5.129 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000035910916 521871031 /nfs/dbraw/zinc/87/10/31/521871031.db2.gz DAXGLTBJDXKANP-ZEQKJWHPSA-N 0 0 446.572 5.606 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1 ZINC000035912183 521871316 /nfs/dbraw/zinc/87/13/16/521871316.db2.gz VGZCDXPOAWLNAB-CJFMBICVSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1SCc1cc(=O)n2c(C)csc2n1)c1ccccc1 ZINC000020583112 521875269 /nfs/dbraw/zinc/87/52/69/521875269.db2.gz OOAYUPSNUXPSHY-LJQANCHMSA-N 0 0 449.601 5.489 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1 ZINC000033068705 521876510 /nfs/dbraw/zinc/87/65/10/521876510.db2.gz UPKNIZCTXHYDEY-UHFFFAOYSA-N 0 0 427.573 5.822 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(c2nc(CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035867176 521889671 /nfs/dbraw/zinc/88/96/71/521889671.db2.gz CPSCEYGHPJCOEI-UHFFFAOYSA-N 0 0 449.624 5.049 50 0 IKAARN COC(=O)c1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC000022901153 521891962 /nfs/dbraw/zinc/89/19/62/521891962.db2.gz XXNJUZAKOWINGG-UHFFFAOYSA-N 0 0 435.348 5.690 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021536163 521892243 /nfs/dbraw/zinc/89/22/43/521892243.db2.gz UKWGLHNDHFOKMK-AREMUKBSSA-N 0 0 425.507 6.316 50 0 IKAARN COc1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)ccc1OC(F)F ZINC000020616127 521894702 /nfs/dbraw/zinc/89/47/02/521894702.db2.gz RTTALURWEPDESH-UHFFFAOYSA-N 0 0 449.379 6.025 50 0 IKAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000021936620 521894789 /nfs/dbraw/zinc/89/47/89/521894789.db2.gz GGDLDPVVVMGQCW-LFRPXUGBSA-N 0 0 448.592 5.068 50 0 IKAARN COc1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)ccc1OC(F)F ZINC000020605290 521895837 /nfs/dbraw/zinc/89/58/37/521895837.db2.gz VBSFELOOXVAPNR-UHFFFAOYSA-N 0 0 436.336 6.186 50 0 IKAARN CCc1ccccc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000033062384 521896176 /nfs/dbraw/zinc/89/61/76/521896176.db2.gz HCYJUCNUBDRAEX-NRFANRHFSA-N 0 0 443.547 5.701 50 0 IKAARN COc1cc(-c2cccnc2)cc2c1OCCN(Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC000012191312 521897592 /nfs/dbraw/zinc/89/75/92/521897592.db2.gz BLMLKHIXURNCJA-UHFFFAOYSA-N 0 0 446.934 6.065 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)ccc1OCc1ccccc1F ZINC000034712212 521901124 /nfs/dbraw/zinc/90/11/24/521901124.db2.gz YKFWDKQWERBYLO-UHFFFAOYSA-N 0 0 448.519 6.098 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccc(C)cc2)C1 ZINC000033288423 521901325 /nfs/dbraw/zinc/90/13/25/521901325.db2.gz RQJPZMIMCRSMPC-HXUWFJFHSA-N 0 0 432.593 5.354 50 0 IKAARN COc1cc(-c2nc(CN3CCC[C@@H](C(=O)CCc4ccccc4)C3)c(C)o2)ccc1F ZINC000020999681 521902592 /nfs/dbraw/zinc/90/25/92/521902592.db2.gz PVHSBFJZJUPUFH-OAQYLSRUSA-N 0 0 436.527 5.212 50 0 IKAARN COc1cc(-c2nc(CN3CCCC[C@@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)ccc1F ZINC000012299768 521904537 /nfs/dbraw/zinc/90/45/37/521904537.db2.gz IGKADUZDZCXLNM-OAQYLSRUSA-N 0 0 438.478 5.540 50 0 IKAARN COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C ZINC000012601560 521926327 /nfs/dbraw/zinc/92/63/27/521926327.db2.gz ZKRJNIUACUIGON-CTDFXDFQSA-N 0 0 439.943 5.389 50 0 IKAARN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C ZINC000012601563 521928568 /nfs/dbraw/zinc/92/85/68/521928568.db2.gz ZKRJNIUACUIGON-CFGKVWFZSA-N 0 0 439.943 5.389 50 0 IKAARN COC(=O)c1ccc(-c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1 ZINC000012249692 521931986 /nfs/dbraw/zinc/93/19/86/521931986.db2.gz UTOGFLIOZXUVCW-UHFFFAOYSA-N 0 0 436.536 6.666 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(OC)c1OC ZINC000035586217 521932243 /nfs/dbraw/zinc/93/22/43/521932243.db2.gz HTVQXZVKGSVMTG-VAWYXSNFSA-N 0 0 430.460 5.173 50 0 IKAARN COC(=O)c1ccc(/C=C(\C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3s2)cc1 ZINC000035176672 521934093 /nfs/dbraw/zinc/93/40/93/521934093.db2.gz VXDFMFFTCGISKU-RCCKNPSSSA-N 0 0 442.540 5.879 50 0 IKAARN CN(C)[C@@H](c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C)c1ccccc1 ZINC000012381208 522033055 /nfs/dbraw/zinc/03/30/55/522033055.db2.gz SMDIIMSRSWPTII-XCHRBARXSA-N 0 0 444.410 5.932 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(NCc2ccccc2)n1 ZINC000022375421 522044615 /nfs/dbraw/zinc/04/46/15/522044615.db2.gz SZAFXSDODIEQBD-IRXDYDNUSA-N 0 0 437.565 5.453 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)o1 ZINC000035848078 522054680 /nfs/dbraw/zinc/05/46/80/522054680.db2.gz RZQVKGFUTNWYTL-UHFFFAOYSA-N 0 0 425.897 5.260 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)C)CC2)n1)CCCCC3 ZINC000035892458 522055499 /nfs/dbraw/zinc/05/54/99/522055499.db2.gz GSBOKPPAUQCBIR-KRWDZBQOSA-N 0 0 428.646 5.168 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CCCCC3 ZINC000035892308 522056335 /nfs/dbraw/zinc/05/63/35/522056335.db2.gz PTWKNALZOGGJGK-INIZCTEOSA-N 0 0 428.646 5.168 50 0 IKAARN CC[C@H](C)n1c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604030 522069898 /nfs/dbraw/zinc/06/98/98/522069898.db2.gz FEXQXCFYLBWCPE-VIFPVBQESA-N 0 0 445.413 5.712 50 0 IKAARN COc1cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)cc(OC)c1OC ZINC000023444552 522092213 /nfs/dbraw/zinc/09/22/13/522092213.db2.gz YHXGASIMWBBFGM-HSZRJFAPSA-N 0 0 437.923 5.154 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1ccccc1 ZINC000035970722 522097238 /nfs/dbraw/zinc/09/72/38/522097238.db2.gz OIBGYBYBKNOTGG-OAQYLSRUSA-N 0 0 439.559 6.414 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C(C)C ZINC000035976825 522098145 /nfs/dbraw/zinc/09/81/45/522098145.db2.gz BLLJWECNYIPIHZ-LJQANCHMSA-N 0 0 435.568 5.765 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000035945241 522098610 /nfs/dbraw/zinc/09/86/10/522098610.db2.gz BCMGBMZMLBUPAD-GOSISDBHSA-N 0 0 441.591 5.707 50 0 IKAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)CC(C)(C)C ZINC000016653655 522098764 /nfs/dbraw/zinc/09/87/64/522098764.db2.gz DIJJRRMQGZWMRF-QGZVFWFLSA-N 0 0 435.561 5.157 50 0 IKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000020212741 522102941 /nfs/dbraw/zinc/10/29/41/522102941.db2.gz BFDBEXUNIZBYDD-MRXNPFEDSA-N 0 0 433.543 6.678 50 0 IKAARN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000091695462 522119232 /nfs/dbraw/zinc/11/92/32/522119232.db2.gz VDKMETHJWCCBIZ-UHFFFAOYSA-N 0 0 434.849 6.131 50 0 IKAARN CC[C@@H](C)NC(=O)CCN(CC(C)C)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008181 522142659 /nfs/dbraw/zinc/14/26/59/522142659.db2.gz LAWPZNQAWWHQNM-GOSISDBHSA-N 0 0 439.003 5.717 50 0 IKAARN COc1cc(C(=O)Nc2ccc(C)c(F)c2)cc(Br)c1OCc1ccccc1 ZINC000012568259 522153023 /nfs/dbraw/zinc/15/30/23/522153023.db2.gz GZTOCJINLPYHIH-UHFFFAOYSA-N 0 0 444.300 5.737 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc(OC)c1OC ZINC000021362714 522153468 /nfs/dbraw/zinc/15/34/68/522153468.db2.gz RSFHBWGIEDMXKD-UHFFFAOYSA-N 0 0 430.460 5.287 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012195789 522165445 /nfs/dbraw/zinc/16/54/45/522165445.db2.gz VCWMZPNFXLNGTM-VWNXMTODSA-N 0 0 448.906 5.378 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195646 522166111 /nfs/dbraw/zinc/16/61/11/522166111.db2.gz CYLBXWUYJIMPGO-VWNXMTODSA-N 0 0 448.906 5.378 50 0 IKAARN COc1cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)ccc1OCC(C)C ZINC000002653269 522170099 /nfs/dbraw/zinc/17/00/99/522170099.db2.gz FRLMSSMOKIDHKB-UHFFFAOYSA-N 0 0 433.504 5.193 50 0 IKAARN COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc(Cl)c1OC ZINC000012682280 522171059 /nfs/dbraw/zinc/17/10/59/522171059.db2.gz REWUDBMNZQHTPU-OAQYLSRUSA-N 0 0 439.895 5.202 50 0 IKAARN CC[C@@H](C)NC(=O)C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000033632778 522171660 /nfs/dbraw/zinc/17/16/60/522171660.db2.gz GTLMAGMPKOZRAC-GCJKJVERSA-N 0 0 434.580 6.327 50 0 IKAARN CC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000035815788 522171845 /nfs/dbraw/zinc/17/18/45/522171845.db2.gz YYGCYYGZXHSXQZ-YIXXDRMTSA-N 0 0 438.615 6.743 50 0 IKAARN CC[C@@H](C)NC(=O)C[C@H](c1cn(CC)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000035872193 522173070 /nfs/dbraw/zinc/17/30/70/522173070.db2.gz XGJSZSNEXYKIQD-RLWLMLJZSA-N 0 0 440.587 6.890 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195649 522174388 /nfs/dbraw/zinc/17/43/88/522174388.db2.gz CYLBXWUYJIMPGO-ISKFKSNPSA-N 0 0 448.906 5.378 50 0 IKAARN COc1cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc(OC)c1O ZINC000008396830 522183000 /nfs/dbraw/zinc/18/30/00/522183000.db2.gz ARLZPWZTAFDVQX-UHFFFAOYSA-N 0 0 426.516 6.169 50 0 IKAARN COC(=O)c1ccc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000021992379 522185305 /nfs/dbraw/zinc/18/53/05/522185305.db2.gz PGXNMQBGOVUZNC-UHFFFAOYSA-N 0 0 426.556 6.770 50 0 in-vitro IKAARN COc1cc(C)c(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1OC ZINC000012786437 522214187 /nfs/dbraw/zinc/21/41/87/522214187.db2.gz IDGPOAMAWIAYGA-UHFFFAOYSA-N 0 0 432.929 5.262 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3cccc(OC)c3)n2-c2ccccc2)c1 ZINC000035848080 522216665 /nfs/dbraw/zinc/21/66/65/522216665.db2.gz ZIQMRJRWSMGTAH-UHFFFAOYSA-N 0 0 431.517 5.022 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(Cc1ccco1)C(=O)c1ccc(F)cc1 ZINC000035945203 522223237 /nfs/dbraw/zinc/22/32/37/522223237.db2.gz AAFHINAFHFBZPC-UHFFFAOYSA-N 0 0 449.526 5.066 50 0 IKAARN CN(C)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(C(F)(F)F)c1 ZINC000040087967 522224501 /nfs/dbraw/zinc/22/45/01/522224501.db2.gz YMDIWWIAFGHCPJ-UHFFFAOYSA-N 0 0 439.890 5.730 50 0 IKAARN CC[C@@H](C)NC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417965 522226103 /nfs/dbraw/zinc/22/61/03/522226103.db2.gz MAUJDWRYQPULAU-OZAJXLCCSA-N 0 0 425.912 5.804 50 0 IKAARN COC(=O)c1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000021879901 522229718 /nfs/dbraw/zinc/22/97/18/522229718.db2.gz DUCMWVJKGBTVNK-DEOSSOPVSA-N 0 0 443.478 5.273 50 0 IKAARN CC[C@H](COC(=O)c1ccccc1C(F)(F)F)NC(=O)c1ccccc1C(F)(F)F ZINC000012797801 522231368 /nfs/dbraw/zinc/23/13/68/522231368.db2.gz FPSXHPDAHHWEQI-GFCCVEGCSA-N 0 0 433.348 5.090 50 0 IKAARN CN(C)c1ccc(NC(=O)c2cccc(F)c2)cc1CN(C(=O)c1cccc(F)c1)C1CC1 ZINC000035945190 522235859 /nfs/dbraw/zinc/23/58/59/522235859.db2.gz TUYJMECYOUUBJD-UHFFFAOYSA-N 0 0 449.501 5.088 50 0 IKAARN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000033497090 522246929 /nfs/dbraw/zinc/24/69/29/522246929.db2.gz SRYSNQHMBMFRHY-ZEZIIQNPSA-N 0 0 443.978 5.849 50 0 IKAARN COC(=O)c1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879837 522276639 /nfs/dbraw/zinc/27/66/39/522276639.db2.gz OMRDKYSRJWREDY-XMMPIXPASA-N 0 0 443.478 5.273 50 0 IKAARN COC(=O)c1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000021879792 522277175 /nfs/dbraw/zinc/27/71/75/522277175.db2.gz BSGXFOKYPNLSME-VWLOTQADSA-N 0 0 439.515 5.443 50 0 IKAARN COc1cc(C)ccc1OCCSc1nc2ccc(NC(=O)CC(C)C)cc2s1 ZINC000020895187 522278320 /nfs/dbraw/zinc/27/83/20/522278320.db2.gz UUYPEDJJLSWQDO-UHFFFAOYSA-N 0 0 430.595 5.769 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N ZINC000012249689 522285458 /nfs/dbraw/zinc/28/54/58/522285458.db2.gz GYCBKATVQVRQMD-UHFFFAOYSA-N 0 0 437.908 5.238 50 0 IKAARN CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000015783618 522333239 /nfs/dbraw/zinc/33/32/39/522333239.db2.gz HTFJGDBBWXQQCN-NQERJWCQSA-N 0 0 448.592 5.150 50 0 IKAARN COC(=O)c1occc1CSc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C ZINC000012527311 522415613 /nfs/dbraw/zinc/41/56/13/522415613.db2.gz PKVMFVBEGAZTMD-UHFFFAOYSA-N 0 0 434.521 5.125 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 ZINC000012676923 522425679 /nfs/dbraw/zinc/42/56/79/522425679.db2.gz KHGNTIAOPNOYDD-CQSZACIVSA-N 0 0 431.945 5.546 50 0 IKAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1 ZINC000012900680 522426895 /nfs/dbraw/zinc/42/68/95/522426895.db2.gz HCDWSQOHBPBSML-MRXNPFEDSA-N 0 0 437.565 5.408 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccccc1 ZINC000012817715 522432614 /nfs/dbraw/zinc/43/26/14/522432614.db2.gz TXKJSDRUEMTQCW-SJORKVTESA-N 0 0 431.565 5.448 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1csc(NCc2ccccc2)n1 ZINC000022375401 522433284 /nfs/dbraw/zinc/43/32/84/522433284.db2.gz SZAFXSDODIEQBD-IAGOWNOFSA-N 0 0 437.565 5.453 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(NCc2ccccc2)n1 ZINC000022375414 522433815 /nfs/dbraw/zinc/43/38/15/522433815.db2.gz SZAFXSDODIEQBD-SJORKVTESA-N 0 0 437.565 5.453 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035865416 522441242 /nfs/dbraw/zinc/44/12/42/522441242.db2.gz WSGZGTYQKPYAGM-JKSUJKDBSA-N 0 0 428.646 5.024 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CCCCC3 ZINC000035892306 522442147 /nfs/dbraw/zinc/44/21/47/522442147.db2.gz PTWKNALZOGGJGK-MRXNPFEDSA-N 0 0 428.646 5.168 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@@H](C)C3 ZINC000035525061 522442574 /nfs/dbraw/zinc/44/25/74/522442574.db2.gz WSEQVLUMDPLERW-QZTJIDSGSA-N 0 0 448.636 5.292 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000669006 522449025 /nfs/dbraw/zinc/44/90/25/522449025.db2.gz MXKKDIMVNZNJOD-UHFFFAOYSA-N 0 0 426.277 5.266 50 0 IKAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c1C ZINC000012569413 522497594 /nfs/dbraw/zinc/49/75/94/522497594.db2.gz YXJRLZKJGDTIIR-UHFFFAOYSA-N 0 0 434.536 5.207 50 0 IKAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012905391 522521495 /nfs/dbraw/zinc/52/14/95/522521495.db2.gz LDGHQEFBZAWFLU-UHFFFAOYSA-N 0 0 436.817 5.330 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035972562 522637243 /nfs/dbraw/zinc/63/72/43/522637243.db2.gz BRIZRNWVWRZNDH-UHFFFAOYSA-N 0 0 433.527 5.657 50 0 IKAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC1CC1)C(=O)c1ccccc1Cl ZINC000035973463 522639424 /nfs/dbraw/zinc/63/94/24/522639424.db2.gz DDCVYNLBKXPRTL-UHFFFAOYSA-N 0 0 436.987 5.207 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C(=O)C1CCCC1)C1CC1 ZINC000035975839 522642688 /nfs/dbraw/zinc/64/26/88/522642688.db2.gz LKPBVUXNKBRWCQ-UHFFFAOYSA-N 0 0 447.554 6.047 50 0 IKAARN COc1cc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)cc(OC)c1 ZINC000020856136 522668301 /nfs/dbraw/zinc/66/83/01/522668301.db2.gz VSEINYOQLXBAJN-UHFFFAOYSA-N 0 0 442.968 5.515 50 0 IKAARN COc1cc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000033062451 522696273 /nfs/dbraw/zinc/69/62/73/522696273.db2.gz OPOBCPNPZOHZHL-HXUWFJFHSA-N 0 0 445.519 5.147 50 0 IKAARN COc1cc(NC(=O)N[C@H](C)c2c(C)c(C)sc2-n2cccc2)cc(OC)c1OC ZINC000020386475 522700124 /nfs/dbraw/zinc/70/01/24/522700124.db2.gz JJRCGICCGCTCAN-CQSZACIVSA-N 0 0 429.542 5.064 50 0 IKAARN COc1cc(NC(=O)Nc2cccc(C)c2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008605 522704007 /nfs/dbraw/zinc/70/40/07/522704007.db2.gz ZNEWMYZXFYPERP-UHFFFAOYSA-N 0 0 446.532 5.818 50 0 IKAARN CCc1nn2c(ncc3c2ccn(-c2ccc(C(C)=O)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000012409197 522712069 /nfs/dbraw/zinc/71/20/69/522712069.db2.gz FHPIBAAVYQQFPX-UHFFFAOYSA-N 0 0 442.906 5.119 50 0 IKAARN COCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000035980142 522733100 /nfs/dbraw/zinc/73/31/00/522733100.db2.gz JMVDKWKRFKEVQI-UHFFFAOYSA-N 0 0 427.932 5.010 50 0 IKAARN CCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)c2cc3oc(C)cc3n21 ZINC000020510793 522782791 /nfs/dbraw/zinc/78/27/91/522782791.db2.gz WHTHIRHGTDODCJ-UHFFFAOYSA-N 0 0 434.443 5.096 50 0 IKAARN CCc1nnc(S[C@H](CC)C(=O)Nc2ccc(C(C)C)cc2)c2cc3sccc3n21 ZINC000020510748 522786675 /nfs/dbraw/zinc/78/66/75/522786675.db2.gz URBUVYZATDNNRG-LJQANCHMSA-N 0 0 438.622 6.139 50 0 IKAARN COc1cc(OC)c(NC(=O)Oc2cc(C)c(Cl)cc2Br)cc1Cl ZINC000000640848 522809047 /nfs/dbraw/zinc/80/90/47/522809047.db2.gz IYYHOADHQCMRHF-UHFFFAOYSA-N 0 0 435.101 5.692 50 0 IKAARN COc1cc(OC)c(NC(=O)c2c3cc(C)ccc3nnc2-c2ccccc2)cc1Cl ZINC000032953300 522812179 /nfs/dbraw/zinc/81/21/79/522812179.db2.gz ZNORKWCLABGAGH-UHFFFAOYSA-N 0 0 433.895 5.528 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1Cl ZINC000012752584 522812693 /nfs/dbraw/zinc/81/26/93/522812693.db2.gz XWHVGBYRFDXMNR-UHFFFAOYSA-N 0 0 443.912 5.491 50 0 IKAARN COc1cc(OC)c(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1Cl ZINC000032960482 522818222 /nfs/dbraw/zinc/81/82/22/522818222.db2.gz GAIJYHLFWBFPKG-UHFFFAOYSA-N 0 0 444.869 5.730 50 0 IKAARN COc1cc(OC)c([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1OC ZINC000263586309 522833955 /nfs/dbraw/zinc/83/39/55/522833955.db2.gz SMVKPZNJLNZDGY-GOSISDBHSA-N 0 0 442.515 5.190 50 0 biogenic IKAARN COc1cc(OC)cc(-c2nnc(SCc3cc(F)cc(F)c3)n2-c2ccccc2)c1 ZINC000035847635 522838357 /nfs/dbraw/zinc/83/83/57/522838357.db2.gz GSPGNCATZVBDKY-UHFFFAOYSA-N 0 0 439.487 5.522 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000033020165 522856013 /nfs/dbraw/zinc/85/60/13/522856013.db2.gz FZJZEIDKPWHZSP-UHFFFAOYSA-N 0 0 439.537 5.085 50 0 IKAARN COCc1c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)sc2cccc(F)c21 ZINC000012920693 522901905 /nfs/dbraw/zinc/90/19/05/522901905.db2.gz ZXBKQKXOXSKNOI-UHFFFAOYSA-N 0 0 435.476 6.347 50 0 IKAARN COCc1c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)sc2cccc(F)c21 ZINC000012926457 522902304 /nfs/dbraw/zinc/90/23/04/522902304.db2.gz HFJFNTWSFTYYKE-OAHLLOKOSA-N 0 0 429.513 5.296 50 0 IKAARN COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(Cl)c(Cl)c1)N2Cc1ccccc1 ZINC000012445428 522918942 /nfs/dbraw/zinc/91/89/42/522918942.db2.gz ZWNRQWRYKHXRDH-OAQYLSRUSA-N 0 0 442.346 5.292 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1cccc(C)c1 ZINC000020808047 522923889 /nfs/dbraw/zinc/92/38/89/522923889.db2.gz GGKUVYDFNLLVOW-NRFANRHFSA-N 0 0 439.515 5.447 50 0 IKAARN CC[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)Nc1ccc(F)cc1 ZINC000012722889 522926603 /nfs/dbraw/zinc/92/66/03/522926603.db2.gz WUCBWSYGEMCAOG-AWEZNQCLSA-N 0 0 447.944 6.253 50 0 IKAARN CC[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3cccs3)ccc2O[C@H](CC)C1=O ZINC000035909559 522945409 /nfs/dbraw/zinc/94/54/09/522945409.db2.gz RKLQQXWIZKANLC-NHCUHLMSSA-N 0 0 434.561 5.651 50 0 IKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1OCc1ccccc1 ZINC000015947667 522962586 /nfs/dbraw/zinc/96/25/86/522962586.db2.gz SUSJHEJVLLRLIP-CMJOXMDJSA-N 0 0 434.561 5.889 50 0 IKAARN COc1cc2c(cc1OC)CN([C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)CC2 ZINC000016554133 523030848 /nfs/dbraw/zinc/03/08/48/523030848.db2.gz QPNINFJSBXCNDN-AREMUKBSSA-N 0 0 430.548 5.059 50 0 IKAARN CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000027439647 523040702 /nfs/dbraw/zinc/04/07/02/523040702.db2.gz RWYIWRXZUUNTMT-JOCHJYFZSA-N 0 0 445.047 7.094 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2ccc(OC)cc2)nn1-c1ccccc1 ZINC000015821197 523054190 /nfs/dbraw/zinc/05/41/90/523054190.db2.gz ZNRVKUNKEKKVMF-XMMPIXPASA-N 0 0 427.504 5.344 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(OC)c1 ZINC000021915748 523056308 /nfs/dbraw/zinc/05/63/08/523056308.db2.gz ZJWIWSPSQFCJQA-OAQYLSRUSA-N 0 0 429.476 5.208 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1OC ZINC000021915758 523056638 /nfs/dbraw/zinc/05/66/38/523056638.db2.gz AOFYRAUPVTWLCV-HXUWFJFHSA-N 0 0 429.476 5.208 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000012651164 523061898 /nfs/dbraw/zinc/06/18/98/523061898.db2.gz KTHRSJPABSFVNJ-UHFFFAOYSA-N 0 0 426.451 5.282 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4F)ccc3oc2=O)cc1OC ZINC000011866202 523075041 /nfs/dbraw/zinc/07/50/41/523075041.db2.gz HUZTVBLOUFEMTQ-UHFFFAOYSA-N 0 0 434.419 5.144 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3ccccc3)n2)cc1 ZINC000021659415 523083401 /nfs/dbraw/zinc/08/34/01/523083401.db2.gz PMMYMSSBIAVOHU-UHFFFAOYSA-N 0 0 444.922 5.523 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000021792823 523084474 /nfs/dbraw/zinc/08/44/74/523084474.db2.gz RCMYRHHOCPRBQO-UHFFFAOYSA-N 0 0 429.451 5.219 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)Cc3ccccc3)n2)cc1 ZINC000021792814 523084597 /nfs/dbraw/zinc/08/45/97/523084597.db2.gz ISDFNMHJQCRMTK-UHFFFAOYSA-N 0 0 425.488 5.009 50 0 biogenic IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3ccc(C)cc3C)n2)cc1 ZINC000021659351 523085605 /nfs/dbraw/zinc/08/56/05/523085605.db2.gz JTVFGTAGYPEOOA-UHFFFAOYSA-N 0 0 438.531 5.487 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3ccc(F)cc3)n2)cc1 ZINC000021659345 523086856 /nfs/dbraw/zinc/08/68/56/523086856.db2.gz NNUXGBJDXUAZES-UHFFFAOYSA-N 0 0 428.467 5.009 50 0 IKAARN CC[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)Nc1ccc(F)cc1 ZINC000012722890 523087141 /nfs/dbraw/zinc/08/71/41/523087141.db2.gz WUCBWSYGEMCAOG-CQSZACIVSA-N 0 0 447.944 6.253 50 0 IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3C)c2)cc1OC ZINC000020445548 523089354 /nfs/dbraw/zinc/08/93/54/523089354.db2.gz MRMJFCKQAABOKK-UHFFFAOYSA-N 0 0 444.483 5.622 50 0 IKAARN CC[C@@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@@H](CC)C1=O ZINC000035909550 523099850 /nfs/dbraw/zinc/09/98/50/523099850.db2.gz UWGFVAFRTBIDIJ-ZEQRLZLVSA-N 0 0 446.522 5.729 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)on2)cc1 ZINC000012371026 523101555 /nfs/dbraw/zinc/10/15/55/523101555.db2.gz PVPYIYZFJCMSMA-UHFFFAOYSA-N 0 0 435.383 5.111 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3n2)cc1OC ZINC000015421853 523102183 /nfs/dbraw/zinc/10/21/83/523102183.db2.gz ZHRREIOWUBGPHZ-UHFFFAOYSA-N 0 0 441.487 5.130 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c3ccccc3n2)cc1OC ZINC000023042623 523103483 /nfs/dbraw/zinc/10/34/83/523103483.db2.gz SSBDUNDZECAIOL-KRWDZBQOSA-N 0 0 441.483 5.347 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4cccc(Cl)c4)c3n2)cc1OC ZINC000013362229 523106602 /nfs/dbraw/zinc/10/66/02/523106602.db2.gz ACOKHYZXXBNOTD-UHFFFAOYSA-N 0 0 433.817 5.753 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3cccs3)no2)c(OC)c1 ZINC000036001805 523108096 /nfs/dbraw/zinc/10/80/96/523108096.db2.gz LBRJUMUADYCPIP-UHFFFAOYSA-N 0 0 434.517 5.263 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)no2)cc1OC ZINC000036019143 523109194 /nfs/dbraw/zinc/10/91/94/523109194.db2.gz HQGVRVSWBJAHIW-UHFFFAOYSA-N 0 0 428.488 5.201 50 0 IKAARN COc1ccc(-c2cc(OCC(=O)Nc3c(C)cc(C)cc3C)c3ccccc3n2)cc1 ZINC000032985618 523113772 /nfs/dbraw/zinc/11/37/72/523113772.db2.gz SFKYKRWDLZKIAY-UHFFFAOYSA-N 0 0 426.516 5.853 50 0 IKAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC(=O)N3)cc1 ZINC000020723226 523122543 /nfs/dbraw/zinc/12/25/43/523122543.db2.gz XNZQRYONIIVDSV-INIZCTEOSA-N 0 0 431.279 5.037 50 0 IKAARN CC[C@@H]1CCCCN1/C=C1/c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000012558537 523145636 /nfs/dbraw/zinc/14/56/36/523145636.db2.gz WGVTUXDGDBJFGH-VKZJTJHYSA-N 0 0 428.454 5.498 50 0 IKAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000035684720 523154053 /nfs/dbraw/zinc/15/40/53/523154053.db2.gz NHMXYICNQXGXKW-KRWDZBQOSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2coc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)cc1OC ZINC000011866299 523156698 /nfs/dbraw/zinc/15/66/98/523156698.db2.gz YRVSTWWDXLYSCS-UHFFFAOYSA-N 0 0 440.854 5.849 50 0 IKAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC3CCCCC3)n2)cc1OC ZINC000012442231 523158464 /nfs/dbraw/zinc/15/84/64/523158464.db2.gz RSXLVXKGODDRFT-UHFFFAOYSA-N 0 0 440.569 5.230 50 0 IKAARN COc1ccc(-c2coc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1OC ZINC000011866298 523159320 /nfs/dbraw/zinc/15/93/20/523159320.db2.gz DRLPQEYKIAGSHI-UHFFFAOYSA-N 0 0 440.854 5.849 50 0 IKAARN COc1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)COc3ccccc3-4)n2)cc1 ZINC000016957329 523161385 /nfs/dbraw/zinc/16/13/85/523161385.db2.gz NRUFAXCINCCFCY-UHFFFAOYSA-N 0 0 429.423 5.583 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000012850532 523164326 /nfs/dbraw/zinc/16/43/26/523164326.db2.gz DQGDTCJGHWXRNJ-NUJGCVRESA-N 0 0 440.897 5.602 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1OC ZINC000058157937 523170366 /nfs/dbraw/zinc/17/03/66/523170366.db2.gz ARQJWLDFMFOWOT-UHFFFAOYSA-N 0 0 433.489 5.267 50 0 IKAARN COc1ccc(-c2nc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n[nH]2)cc1 ZINC000015277433 523177226 /nfs/dbraw/zinc/17/72/26/523177226.db2.gz FWHKVEYRAKSQIJ-HXUWFJFHSA-N 0 0 434.496 5.092 50 0 IKAARN COc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)NCc4ccccc4)c32)cc1 ZINC000033085643 523179537 /nfs/dbraw/zinc/17/95/37/523179537.db2.gz PIEFUHPODOAHTJ-UHFFFAOYSA-N 0 0 448.526 5.539 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2)nc2ccccc21 ZINC000021357645 523183662 /nfs/dbraw/zinc/18/36/62/523183662.db2.gz XOAGHLARLVOCHO-UHFFFAOYSA-N 0 0 426.520 5.688 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)Nc3cc(Cl)ccc3OC)c2)nc2ccccc21 ZINC000013347659 523183686 /nfs/dbraw/zinc/18/36/86/523183686.db2.gz WDACFVDIEFNREL-UHFFFAOYSA-N 0 0 448.954 6.147 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(Cl)c2)cc1 ZINC000014610004 523190186 /nfs/dbraw/zinc/19/01/86/523190186.db2.gz NKRZOJWPHQCHCA-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cccc(Cl)c2)cc1 ZINC000014610008 523191948 /nfs/dbraw/zinc/19/19/48/523191948.db2.gz KGUKYIKBUBJICH-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000012767038 523195186 /nfs/dbraw/zinc/19/51/86/523195186.db2.gz AJDROTXNXOUESX-UHFFFAOYSA-N 0 0 438.886 5.985 50 0 IKAARN COc1ccc(-c2nc(CC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cs2)cc1 ZINC000020738599 523196424 /nfs/dbraw/zinc/19/64/24/523196424.db2.gz ZBICWXWCJVTRMB-UHFFFAOYSA-N 0 0 437.952 5.081 50 0 biogenic IKAARN COc1ccc(-c2nc(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cs2)cc1 ZINC000012506390 523197554 /nfs/dbraw/zinc/19/75/54/523197554.db2.gz QDGNWVYKQUMVEY-UHFFFAOYSA-N 0 0 446.557 5.376 50 0 IKAARN COc1ccc(-c2nc(CN3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)c(OC)c1C ZINC000012316613 523198632 /nfs/dbraw/zinc/19/86/32/523198632.db2.gz UMJVYNARXBJAMY-JOCHJYFZSA-N 0 0 446.551 5.579 50 0 IKAARN CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=S)Nc3ccccc3)ccc21 ZINC000012323805 523202429 /nfs/dbraw/zinc/20/24/29/523202429.db2.gz MODKOSMICVMSBQ-UHFFFAOYSA-N 0 0 448.621 5.564 50 0 IKAARN CC[C@H]1CCc2c(c(-c3ccc(NC(C)=O)cc3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325621 523205553 /nfs/dbraw/zinc/20/55/53/523205553.db2.gz HSJQQHQPGUWCLB-KRWDZBQOSA-N 0 0 444.966 6.190 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3c(C(F)(F)F)c2C1 ZINC000012858100 523208578 /nfs/dbraw/zinc/20/85/78/523208578.db2.gz YTRWKASJWYJECO-JTQLQIEISA-N 0 0 437.462 5.804 50 0 IKAARN COc1ccc(-c2nc(COC(=O)CCCc3c[nH]c4ccccc34)cs2)cc1OC ZINC000012590670 523211325 /nfs/dbraw/zinc/21/13/25/523211325.db2.gz POPDJKCGFKXQTO-UHFFFAOYSA-N 0 0 436.533 5.375 50 0 IKAARN COc1ccc(-c2nc(Cn3c(=O)c4ccccc4nc3-c3ccccc3)cs2)cc1 ZINC000012847541 523216342 /nfs/dbraw/zinc/21/63/42/523216342.db2.gz UAXWPXPYZBYFLT-UHFFFAOYSA-N 0 0 425.513 5.244 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000012728604 523219621 /nfs/dbraw/zinc/21/96/21/523219621.db2.gz ZLXMKIGNHZRQNT-UHFFFAOYSA-N 0 0 431.348 5.125 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)sc2C)cc1 ZINC000012752484 523221089 /nfs/dbraw/zinc/22/10/89/523221089.db2.gz BCJCKZCHBMMMPT-UHFFFAOYSA-N 0 0 441.940 5.160 50 0 IKAARN COc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000037385406 523223041 /nfs/dbraw/zinc/22/30/41/523223041.db2.gz XEJORDUVKFYZKT-UHFFFAOYSA-N 0 0 448.548 5.292 50 0 IKAARN CCn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1C ZINC000012931896 523223736 /nfs/dbraw/zinc/22/37/36/523223736.db2.gz SITUAENKSZHBQG-KNEUKCCGSA-N 0 0 438.641 5.087 50 0 IKAARN COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCCC3)cc1OC ZINC000035324312 523223892 /nfs/dbraw/zinc/22/38/92/523223892.db2.gz DIDXOLQDAXLJPB-UHFFFAOYSA-N 0 0 447.966 6.393 50 0 IKAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5Cl)c4ncn3n2)cc1OC ZINC000021801790 523227221 /nfs/dbraw/zinc/22/72/21/523227221.db2.gz HAJDLMIHWNAIPS-UHFFFAOYSA-N 0 0 433.899 5.023 50 0 IKAARN COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(Br)cc2)cc1OC ZINC000035615926 523228223 /nfs/dbraw/zinc/22/82/23/523228223.db2.gz XDQUXHPMHQSOFL-UHFFFAOYSA-N 0 0 438.325 5.833 50 0 IKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1 ZINC000034912801 523228350 /nfs/dbraw/zinc/22/83/50/523228350.db2.gz RDHHXDIEFQDBDC-UHFFFAOYSA-N 0 0 436.309 5.333 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc2ccccc21 ZINC000012855278 523230359 /nfs/dbraw/zinc/23/03/59/523230359.db2.gz CSPMQKGCLPGGLI-UHFFFAOYSA-N 0 0 436.511 7.032 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Nc1cccc(Br)c1 ZINC000015864432 523231409 /nfs/dbraw/zinc/23/14/09/523231409.db2.gz BTDDINPKSHBEMA-UHFFFAOYSA-N 0 0 438.281 5.910 50 0 IKAARN COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2cc(OC)c(OC)cc32)cc1 ZINC000021017697 523239421 /nfs/dbraw/zinc/23/94/21/523239421.db2.gz IQNJHWFIRYSJHZ-UHFFFAOYSA-N 0 0 445.906 5.920 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc(OC)c(OC)cc32)cc1 ZINC000021017709 523239800 /nfs/dbraw/zinc/23/98/00/523239800.db2.gz IDWYTDQDJDLSHF-UHFFFAOYSA-N 0 0 445.906 5.920 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc(OC)c(OC)cc32)cc1 ZINC000021017701 523239950 /nfs/dbraw/zinc/23/99/50/523239950.db2.gz MKWATFFVIBZPIU-UHFFFAOYSA-N 0 0 429.451 5.406 50 0 IKAARN COc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996465 523243467 /nfs/dbraw/zinc/24/34/67/523243467.db2.gz FPDSDLZYCWLHDF-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4cccc(SC)c4)n3)o2)cc1 ZINC000035446337 523251356 /nfs/dbraw/zinc/25/13/56/523251356.db2.gz HNRVEWVWIXOTLX-UHFFFAOYSA-N 0 0 441.516 5.821 50 0 IKAARN CCn1c2cc(NC(=O)Nc3ccc(C)c(C)c3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000020991691 523257037 /nfs/dbraw/zinc/25/70/37/523257037.db2.gz FGPSIAIPMTWCJU-UHFFFAOYSA-N 0 0 435.572 5.094 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000012784408 523258430 /nfs/dbraw/zinc/25/84/30/523258430.db2.gz XJLKUMNLQWOWAE-NQIIRXRSSA-N 0 0 444.645 5.442 50 0 IKAARN CN(Cc1ccc(F)cc1F)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012861154 523260284 /nfs/dbraw/zinc/26/02/84/523260284.db2.gz GTNXFDWBZIIGKT-LJQANCHMSA-N 0 0 425.504 5.481 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1 ZINC000035847877 523261480 /nfs/dbraw/zinc/26/14/80/523261480.db2.gz QQFKVWDIZWTGNO-UHFFFAOYSA-N 0 0 441.478 6.254 50 0 IKAARN COCCCN(Cc1cc2ccc(SC)cc2nc1N(C)C)C(=O)c1ccc(C)s1 ZINC000020451917 523262583 /nfs/dbraw/zinc/26/25/83/523262583.db2.gz ITZDWBQLGLZPKO-UHFFFAOYSA-N 0 0 443.638 5.072 50 0 IKAARN COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2C2CCCCC2)cc1 ZINC000035847867 523262912 /nfs/dbraw/zinc/26/29/12/523262912.db2.gz HVAWNRJYSVPMIY-UHFFFAOYSA-N 0 0 431.964 6.544 50 0 IKAARN COc1ccc(-c2nnc(Sc3ncnc4scc(-c5ccc(F)cc5)c43)o2)cc1 ZINC000020667121 523265110 /nfs/dbraw/zinc/26/51/10/523265110.db2.gz LICVHQCSVRHAPY-UHFFFAOYSA-N 0 0 436.493 5.707 50 0 IKAARN CCn1c2ccccc2c2cc(CN(C)Cn3nc(-c4cccnc4)n(C)c3=S)ccc21 ZINC000012558105 523275095 /nfs/dbraw/zinc/27/50/95/523275095.db2.gz UZCOWCDYBHFNLL-UHFFFAOYSA-N 0 0 442.592 5.230 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000022460882 523275872 /nfs/dbraw/zinc/27/58/72/523275872.db2.gz TYUAZTJVYDJPQE-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CCn1c2ccccc2c2cc([C@@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)ccc21 ZINC000012180935 523277195 /nfs/dbraw/zinc/27/71/95/523277195.db2.gz SGBUYXOKZMIPTR-DGPALRBDSA-N 0 0 443.550 7.057 50 0 IKAARN CCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255945 523299508 /nfs/dbraw/zinc/29/95/08/523299508.db2.gz ORYXPVWYOAQUEL-UHFFFAOYSA-N 0 0 432.499 5.176 50 0 IKAARN CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000012775040 523301675 /nfs/dbraw/zinc/30/16/75/523301675.db2.gz WGSDGMNXLAJSPN-UHFFFAOYSA-N 0 0 430.360 5.590 50 0 IKAARN COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000012436698 523321250 /nfs/dbraw/zinc/32/12/50/523321250.db2.gz QRXICAQHVSTIDH-OAHLLOKOSA-N 0 0 428.623 5.719 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(F)cc2)cc1 ZINC000035848757 523321680 /nfs/dbraw/zinc/32/16/80/523321680.db2.gz HXBAJEWYEBGJJP-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2OC)cc1 ZINC000021609035 523322576 /nfs/dbraw/zinc/32/25/76/523322576.db2.gz YHEUKNXGERSXDF-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN CCn1cc(C(=O)CSc2nnc(COc3ccccc3C)n2CC)c2ccccc21 ZINC000057291699 523324198 /nfs/dbraw/zinc/32/41/98/523324198.db2.gz CPBMRQSVIOGFAE-UHFFFAOYSA-N 0 0 434.565 5.135 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000012528980 523324222 /nfs/dbraw/zinc/32/42/22/523324222.db2.gz WWXQRSRLOAFARV-SFHVURJKSA-N 0 0 435.593 5.521 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(C)c1)CCCC3 ZINC000021918839 523335978 /nfs/dbraw/zinc/33/59/78/523335978.db2.gz OKRZPLPUSQJJJM-XMMPIXPASA-N 0 0 449.620 5.377 50 0 IKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000023425869 523344886 /nfs/dbraw/zinc/34/48/86/523344886.db2.gz PCCRTIKEUUIWQD-UHFFFAOYSA-N 0 0 435.421 5.589 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2cc(OC)ccc2OC)cc3C(F)(F)F)cc1 ZINC000020604705 523344905 /nfs/dbraw/zinc/34/49/05/523344905.db2.gz CLLQZQUXPPRDBD-UHFFFAOYSA-N 0 0 443.425 5.441 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(OC(F)F)cc2)cc3C(F)(F)F)cc1 ZINC000020604697 523345174 /nfs/dbraw/zinc/34/51/74/523345174.db2.gz XITTWTKHEGFAIL-UHFFFAOYSA-N 0 0 449.379 6.025 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccccc2OC)cc3C(F)(F)F)cc1 ZINC000020615462 523348209 /nfs/dbraw/zinc/34/82/09/523348209.db2.gz IDZKZLLUWQZEMF-UHFFFAOYSA-N 0 0 439.437 6.001 50 0 IKAARN CN(Cc1ccccc1N1CCCCC1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012591441 523375580 /nfs/dbraw/zinc/37/55/80/523375580.db2.gz UWDOERUIMUGJNI-UHFFFAOYSA-N 0 0 444.604 5.274 50 0 IKAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1SCc1ccsc1 ZINC000021962873 523375968 /nfs/dbraw/zinc/37/59/68/523375968.db2.gz GMPSFUMKBJCSAK-UHFFFAOYSA-N 0 0 438.618 5.149 50 0 IKAARN COCCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccc(Cl)cc21 ZINC000020859607 523380947 /nfs/dbraw/zinc/38/09/47/523380947.db2.gz QBKYFPDHHMYAPW-UHFFFAOYSA-N 0 0 435.837 5.065 50 0 IKAARN COc1ccc(/C=C(/CC(=O)OCc2cccc(Cl)c2)c2nc3ccccc3s2)cc1 ZINC000012312214 523381365 /nfs/dbraw/zinc/38/13/65/523381365.db2.gz YCHQMKSKNHJDIJ-UYRXBGFRSA-N 0 0 449.959 6.632 50 0 IKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@@H]2OC(C)=O)cc1 ZINC000245253620 523419880 /nfs/dbraw/zinc/41/98/80/523419880.db2.gz JPPVXERJZNMYHM-HBBYQYHRSA-N 0 0 446.587 6.185 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1OC ZINC000033923926 523429211 /nfs/dbraw/zinc/42/92/11/523429211.db2.gz QDJZBEWSSRBWBF-LWJXYHGVSA-N 0 0 441.571 6.239 50 0 IKAARN CCn1cc([C@@H](CC(=O)NCc2ccccc2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872277 523461663 /nfs/dbraw/zinc/46/16/63/523461663.db2.gz VAZXXIUSKKOOLK-VWLOTQADSA-N 0 0 442.559 5.517 50 0 IKAARN CCn1cc([C@@H](CC(=O)NCCc2ccccc2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872351 523462359 /nfs/dbraw/zinc/46/23/59/523462359.db2.gz LWDOSOZPTWIWAE-DEOSSOPVSA-N 0 0 430.979 6.196 50 0 IKAARN CCn1cc([C@H](CC(=O)NCc2ccc3c(c2)OCO3)c2ccc(F)cc2)c2ccccc21 ZINC000035872192 523477585 /nfs/dbraw/zinc/47/75/85/523477585.db2.gz SKHBKJJEMZRBMI-JOCHJYFZSA-N 0 0 444.506 5.367 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@@H](C)c2ccccc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872220 523478760 /nfs/dbraw/zinc/47/87/60/523478760.db2.gz DTKUTDXXBKKWEE-WMZHIEFXSA-N 0 0 440.543 5.789 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 ZINC000012563740 523480047 /nfs/dbraw/zinc/48/00/47/523480047.db2.gz KJYBIOCXRGKBTE-UHFFFAOYSA-N 0 0 440.341 5.249 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@H](C)CCc2ccccc2)c2cccc(F)c2)c2ccccc21 ZINC000035872426 523480351 /nfs/dbraw/zinc/48/03/51/523480351.db2.gz BSKOHIPIOBBJNR-QFQXNSOFSA-N 0 0 442.578 6.460 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 ZINC000012778260 523480860 /nfs/dbraw/zinc/48/08/60/523480860.db2.gz YFBHGDCVQVYNTQ-UHFFFAOYSA-N 0 0 445.294 5.687 50 0 IKAARN CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000013128321 523483646 /nfs/dbraw/zinc/48/36/46/523483646.db2.gz AXHLOCDXPGFJLA-UHFFFAOYSA-N 0 0 447.029 5.526 50 0 IKAARN CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)Cc1nc(-c2ccncc2)no1 ZINC000020601298 523491581 /nfs/dbraw/zinc/49/15/81/523491581.db2.gz VRZOLHHPPQGQNU-UHFFFAOYSA-N 0 0 442.567 5.212 50 0 IKAARN COCCCn1c(=S)n(CN2CCc3sccc3[C@@H]2C)nc1-c1ccccc1Cl ZINC000012910564 523499252 /nfs/dbraw/zinc/49/92/52/523499252.db2.gz JJPRQQDQWRYVGQ-HNNXBMFYSA-N 0 0 449.045 5.409 50 0 IKAARN COc1ccc(Br)cc1CNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000020985926 523500363 /nfs/dbraw/zinc/50/03/63/523500363.db2.gz QYYDVLYROVFOEP-UHFFFAOYSA-N 0 0 443.366 5.143 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1SCc1ccsc1 ZINC000021964651 523522246 /nfs/dbraw/zinc/52/22/46/523522246.db2.gz TZPZGVRGJGXXEU-UHFFFAOYSA-N 0 0 433.602 5.557 50 0 IKAARN CCn1ccnc1CN(C)C(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000011819596 523526074 /nfs/dbraw/zinc/52/60/74/523526074.db2.gz FBHVAPSPMOFWEF-UHFFFAOYSA-N 0 0 428.414 5.002 50 0 IKAARN CN(Cc1nc2ccccc2n1CCCCOc1ccccc1Cl)C(=O)c1ccco1 ZINC000012539289 523565712 /nfs/dbraw/zinc/56/57/12/523565712.db2.gz YTQGZUHVGBYOAO-UHFFFAOYSA-N 0 0 437.927 5.414 50 0 IKAARN CN(Cc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000012539313 523566639 /nfs/dbraw/zinc/56/66/39/523566639.db2.gz WDUCDOIBVRRFTE-UHFFFAOYSA-N 0 0 437.927 5.414 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885383 523606087 /nfs/dbraw/zinc/60/60/87/523606087.db2.gz KDEUOMUGFVSIHZ-NRFANRHFSA-N 0 0 426.944 5.169 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccc(F)cc2Cl)C1=O ZINC000035909882 523606523 /nfs/dbraw/zinc/60/65/23/523606523.db2.gz XWIIQMVGIKDFRF-NRFANRHFSA-N 0 0 444.934 5.308 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882658 523607508 /nfs/dbraw/zinc/60/75/08/523607508.db2.gz WGIJIKIFAMFIFC-RPBOFIJWSA-N 0 0 440.543 5.516 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)Cc2ccc(F)cc2)cc1 ZINC000036012381 523613969 /nfs/dbraw/zinc/61/39/69/523613969.db2.gz APSFYRHPAPQUON-UHFFFAOYSA-N 0 0 444.506 5.949 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(C)c(C)c3)on2)Cc2ccccc2)cc1 ZINC000036001737 523614393 /nfs/dbraw/zinc/61/43/93/523614393.db2.gz ZVWYJMGINKUNEW-UHFFFAOYSA-N 0 0 426.516 5.810 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C(C)C)cc1 ZINC000035718985 523616475 /nfs/dbraw/zinc/61/64/75/523616475.db2.gz DXKKAZGLMILKDE-UHFFFAOYSA-N 0 0 438.593 5.905 50 0 IKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1F ZINC000021890055 523622525 /nfs/dbraw/zinc/62/25/25/523622525.db2.gz XNWRNGMBJXASSE-GOSISDBHSA-N 0 0 428.305 5.878 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(Cl)c1)CCCC3 ZINC000033265512 523623487 /nfs/dbraw/zinc/62/34/87/523623487.db2.gz OQDDTOKNCFWHDY-LJQANCHMSA-N 0 0 425.985 6.570 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3Cl)C2)c2ccccc12 ZINC000012922426 523639604 /nfs/dbraw/zinc/63/96/04/523639604.db2.gz SQHZHOBBPANHRA-KRWDZBQOSA-N 0 0 436.939 5.301 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000021715606 523665115 /nfs/dbraw/zinc/66/51/15/523665115.db2.gz MKQNKBQQENEKBD-VWLOTQADSA-N 0 0 428.557 5.686 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1OC ZINC000021715441 523666617 /nfs/dbraw/zinc/66/66/17/523666617.db2.gz OBCYZBFYZLRGTP-RUZDIDTESA-N 0 0 430.479 5.112 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000002979444 523680808 /nfs/dbraw/zinc/68/08/08/523680808.db2.gz RMHCLWCSDTYWBH-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)c1C ZINC000020605257 523686293 /nfs/dbraw/zinc/68/62/93/523686293.db2.gz WRDKTPAOAOPLED-UHFFFAOYSA-N 0 0 433.865 5.652 50 0 IKAARN CCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639822 523702270 /nfs/dbraw/zinc/70/22/70/523702270.db2.gz SDXTVXGOORHSPI-UHFFFAOYSA-N 0 0 437.503 5.507 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000033019931 523713725 /nfs/dbraw/zinc/71/37/25/523713725.db2.gz VAIYYBYULARWNS-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)cc1C)[C@@H]2c1ccc(OC)cc1 ZINC000021048297 523718198 /nfs/dbraw/zinc/71/81/98/523718198.db2.gz SZXRLJGAYIQCDT-XMMPIXPASA-N 0 0 434.605 6.424 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1CC)[C@@H]2c1ccc(OC)cc1 ZINC000021048292 523718853 /nfs/dbraw/zinc/71/88/53/523718853.db2.gz XJSUWNDLTNBOPG-XMMPIXPASA-N 0 0 434.605 6.370 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)c1ccccc1 ZINC000035973309 523734661 /nfs/dbraw/zinc/73/46/61/523734661.db2.gz MMXQNZQSMHZVMJ-UHFFFAOYSA-N 0 0 441.531 5.168 50 0 IKAARN COc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1ccccn1 ZINC000012523271 523735292 /nfs/dbraw/zinc/73/52/92/523735292.db2.gz QIMQNDOROBUIEQ-OAHLLOKOSA-N 0 0 430.426 5.179 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CCCC1 ZINC000035980667 523735551 /nfs/dbraw/zinc/73/55/51/523735551.db2.gz MCXXSEGDCFVNKV-UHFFFAOYSA-N 0 0 447.579 5.353 50 0 IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC000020492402 523737173 /nfs/dbraw/zinc/73/71/73/523737173.db2.gz PFFLUEGHDRJJRY-MOPGFXCFSA-N 0 0 430.451 5.316 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3-c3ccccc3)cc2)cc1 ZINC000012420417 523747749 /nfs/dbraw/zinc/74/77/49/523747749.db2.gz MAWUJJQMYJQZFP-UHFFFAOYSA-N 0 0 437.421 5.819 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)cc2)cc1 ZINC000035910380 523753452 /nfs/dbraw/zinc/75/34/52/523753452.db2.gz HGMOSUFEMIPCJO-AREMUKBSSA-N 0 0 446.572 5.850 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 ZINC000020895079 523755475 /nfs/dbraw/zinc/75/54/75/523755475.db2.gz KILUXYQVTIVFHK-UHFFFAOYSA-N 0 0 436.558 5.728 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(F)c3C)c2)cc1 ZINC000035927607 523756793 /nfs/dbraw/zinc/75/67/93/523756793.db2.gz IWYQJJXMMTWRDY-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)cc1 ZINC000035910422 523756862 /nfs/dbraw/zinc/75/68/62/523756862.db2.gz TWXVFWCGZKSUEC-AREMUKBSSA-N 0 0 446.572 5.850 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)cc1 ZINC000035928597 523756912 /nfs/dbraw/zinc/75/69/12/523756912.db2.gz NYXFVTHUPZBFNG-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000015671165 523762682 /nfs/dbraw/zinc/76/26/82/523762682.db2.gz TUBUUQIAGJKKRB-UHFFFAOYSA-N 0 0 425.488 5.389 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3c2C)cc1 ZINC000015729409 523780967 /nfs/dbraw/zinc/78/09/67/523780967.db2.gz PRRHSAWUXAUYIT-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532396 523784079 /nfs/dbraw/zinc/78/40/79/523784079.db2.gz IEJJIDXSXJZKRB-JOCHJYFZSA-N 0 0 448.567 5.439 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000012585178 523786530 /nfs/dbraw/zinc/78/65/30/523786530.db2.gz OPMTUJIWVCSTPT-UHFFFAOYSA-N 0 0 426.516 5.734 50 0 IKAARN CCc1cc(N(C)Cc2ccccc2)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000036028394 523787901 /nfs/dbraw/zinc/78/79/01/523787901.db2.gz JIXFFFNYIALHSR-UHFFFAOYSA-N 0 0 448.636 5.354 50 0 IKAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000036028429 523788101 /nfs/dbraw/zinc/78/81/01/523788101.db2.gz CPXJGBXUCCLHFG-UHFFFAOYSA-N 0 0 440.657 5.486 50 0 IKAARN CC[C@H](C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Br)cc1)c1ccccc1 ZINC000023331454 523797744 /nfs/dbraw/zinc/79/77/44/523797744.db2.gz VAAZFMOHRMAPFR-IBGZPJMESA-N 0 0 440.385 6.065 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532406 523798651 /nfs/dbraw/zinc/79/86/51/523798651.db2.gz VUWCBXXFUXISFK-HXUWFJFHSA-N 0 0 438.503 5.592 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000035910915 523800385 /nfs/dbraw/zinc/80/03/85/523800385.db2.gz DAXGLTBJDXKANP-JYFHCDHNSA-N 0 0 446.572 5.606 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000035910917 523800402 /nfs/dbraw/zinc/80/04/02/523800402.db2.gz DAXGLTBJDXKANP-OZXSUGGESA-N 0 0 446.572 5.606 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2C)cc1)c1ccccc1 ZINC000035927159 523801750 /nfs/dbraw/zinc/80/17/50/523801750.db2.gz OPKOBFVEHXQSLW-WNCULLNHSA-N 0 0 444.600 6.214 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@H](CC)O2)c1ccccc1 ZINC000035873070 523803155 /nfs/dbraw/zinc/80/31/55/523803155.db2.gz GSBBUGGALZSCLT-DQEYMECFSA-N 0 0 442.559 5.519 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1)c1ccccc1 ZINC000035928614 523804579 /nfs/dbraw/zinc/80/45/79/523804579.db2.gz HTAYMGXXBVVVBA-BKMJKUGQSA-N 0 0 448.563 6.045 50 0 IKAARN COc1ccc(C)cc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000035910166 523819631 /nfs/dbraw/zinc/81/96/31/523819631.db2.gz IVKOZJKHPFCVSD-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012641212 523827063 /nfs/dbraw/zinc/82/70/63/523827063.db2.gz FEEIYZSZEQGMEO-UHFFFAOYSA-N 0 0 429.545 5.792 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021879881 523831320 /nfs/dbraw/zinc/83/13/20/523831320.db2.gz WPBLUXTVECPBKX-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000009666414 523835295 /nfs/dbraw/zinc/83/52/95/523835295.db2.gz ACSHZHSLJJXRSE-NRFANRHFSA-N 0 0 427.859 5.333 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cc(OC)c2c1 ZINC000033278584 523835771 /nfs/dbraw/zinc/83/57/71/523835771.db2.gz GRCNRAQOUWFVJQ-UHFFFAOYSA-N 0 0 431.467 6.011 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(C)cc3Cl)cc2)n2ncnc2n1 ZINC000033122215 523841845 /nfs/dbraw/zinc/84/18/45/523841845.db2.gz HKXPKJRANQEXGC-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN CN(C(=O)C[C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000012408607 523842429 /nfs/dbraw/zinc/84/24/29/523842429.db2.gz TULKOYIVOUPXHN-TZIWHRDSSA-N 0 0 434.407 6.126 50 0 IKAARN CCc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035477017 523843768 /nfs/dbraw/zinc/84/37/68/523843768.db2.gz MFJPYLGJDWOPSM-NRFANRHFSA-N 0 0 448.617 6.233 50 0 IKAARN CN(C(=O)C[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000012408610 523845126 /nfs/dbraw/zinc/84/51/26/523845126.db2.gz TULKOYIVOUPXHN-FPOVZHCZSA-N 0 0 434.407 6.126 50 0 IKAARN CCc1cc2c(cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1)[nH]c1c2C(=O)CCC1 ZINC000020990408 523845336 /nfs/dbraw/zinc/84/53/36/523845336.db2.gz DFMUXCIXRKZAST-UHFFFAOYSA-N 0 0 436.455 5.069 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)s1 ZINC000020615454 523852840 /nfs/dbraw/zinc/85/28/40/523852840.db2.gz RJWGXSZOVDEDBP-UHFFFAOYSA-N 0 0 443.494 6.616 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3cc(Cl)ccc3n2)s1 ZINC000019637536 523853394 /nfs/dbraw/zinc/85/33/94/523853394.db2.gz STGYESNIYNDSGY-UHFFFAOYSA-N 0 0 442.968 5.158 50 0 IKAARN COc1ccc(C)cc1[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000021406781 523856533 /nfs/dbraw/zinc/85/65/33/523856533.db2.gz PPTOIIMFZCFKEO-AWEZNQCLSA-N 0 0 433.335 5.775 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnc(NC(C)C)s3)n2)cc1 ZINC000012589277 523856982 /nfs/dbraw/zinc/85/69/82/523856982.db2.gz DVOOGZBTSGJFBP-GFCCVEGCSA-N 0 0 433.628 5.164 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3n[nH]c(-c4ccccc4)n3)n2)cc1 ZINC000012616541 523858091 /nfs/dbraw/zinc/85/80/91/523858091.db2.gz TZAMQGGIFSSCAA-CQSZACIVSA-N 0 0 435.578 5.277 50 0 IKAARN CCc1ccc(-c2nc(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)n[nH]2)cc1 ZINC000012524859 523859802 /nfs/dbraw/zinc/85/98/02/523859802.db2.gz YTVFQJSNZRSLAW-UHFFFAOYSA-N 0 0 435.597 5.145 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)Nc3ccccc3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000020996398 523861750 /nfs/dbraw/zinc/86/17/50/523861750.db2.gz ALARFNLGGPOCOZ-UHFFFAOYSA-N 0 0 436.515 5.461 50 0 IKAARN CCc1ccc(-c2noc(COC(=O)c3sc4cccc(F)c4c3COC)n2)cc1 ZINC000012782448 523864377 /nfs/dbraw/zinc/86/43/77/523864377.db2.gz AWDJVSKXZXEHOY-UHFFFAOYSA-N 0 0 426.469 5.156 50 0 IKAARN CCc1ccc(-c2noc(CSc3nnc(-c4cccc(Br)c4)o3)n2)cc1 ZINC000012791634 523864749 /nfs/dbraw/zinc/86/47/49/523864749.db2.gz OTSKVPUCVDOYNO-UHFFFAOYSA-N 0 0 443.326 5.404 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 ZINC000001118305 523867079 /nfs/dbraw/zinc/86/70/79/523867079.db2.gz XNQPNCJPDUWMIP-UHFFFAOYSA-N 0 0 428.561 5.536 50 0 IKAARN COc1ccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)c(Br)c1 ZINC000020616078 523873459 /nfs/dbraw/zinc/87/34/59/523873459.db2.gz IDKZQNSOYISDGU-AUWJEWJLSA-N 0 0 427.081 5.109 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000248244654 523877702 /nfs/dbraw/zinc/87/77/02/523877702.db2.gz LDMWKTXETIJEGU-GMAHTHKFSA-N 0 0 426.850 5.869 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000012193354 523879566 /nfs/dbraw/zinc/87/95/66/523879566.db2.gz AEMVLFYCLXAYJK-SHQCIBLASA-N 0 0 442.559 6.244 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 ZINC000005950102 523888444 /nfs/dbraw/zinc/88/84/44/523888444.db2.gz LMMBFWFFUSLPOA-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN COCCN1c2ccc(NC(=O)c3ccc(C)cc3C)cc2Sc2ccccc2C1=O ZINC000021355389 523888445 /nfs/dbraw/zinc/88/84/45/523888445.db2.gz LMGSZJIRKVFMQG-UHFFFAOYSA-N 0 0 432.545 5.314 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)c2)cc1 ZINC000035910835 523896201 /nfs/dbraw/zinc/89/62/01/523896201.db2.gz LIXSKZYLXDJUJO-AREMUKBSSA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1 ZINC000035927527 523896335 /nfs/dbraw/zinc/89/63/35/523896335.db2.gz BRWIDRONRCEHSK-HHHXNRCGSA-N 0 0 444.600 6.403 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000035928464 523896421 /nfs/dbraw/zinc/89/64/21/523896421.db2.gz FYKMGZVIDICNRA-AREMUKBSSA-N 0 0 445.588 5.346 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(F)c3C)c2)cc1 ZINC000035927652 523896461 /nfs/dbraw/zinc/89/64/61/523896461.db2.gz LPWASYYKFKTIMO-VWLOTQADSA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)cc1 ZINC000035928637 523896560 /nfs/dbraw/zinc/89/65/60/523896560.db2.gz UVMQYFYAMGCIJE-VWLOTQADSA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(F)c3C)cc2)cc1 ZINC000035925267 523896616 /nfs/dbraw/zinc/89/66/16/523896616.db2.gz PPJLSWYIOKINAG-RUZDIDTESA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(OC)c3)c2)cc1 ZINC000035927264 523896690 /nfs/dbraw/zinc/89/66/90/523896690.db2.gz APUPNUVNPHUPIZ-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cc(C)cc(C)c3)c2)cc1 ZINC000035928689 523896751 /nfs/dbraw/zinc/89/67/51/523896751.db2.gz XSXWEUKACRSWFK-SANMLTNESA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Oc2cc(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035689972 523896977 /nfs/dbraw/zinc/89/69/77/523896977.db2.gz WYZLOJLWWBEACC-UHFFFAOYSA-N 0 0 437.326 6.628 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2Sc2nc(Br)nn2CC)cc1 ZINC000033114961 523897021 /nfs/dbraw/zinc/89/70/21/523897021.db2.gz NDJWBAUNRVGDCM-UHFFFAOYSA-N 0 0 431.359 5.026 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2cc(C)ccc2OC)cc1 ZINC000035910175 523897489 /nfs/dbraw/zinc/89/74/89/523897489.db2.gz BMXHWTXSPDSYBK-AREMUKBSSA-N 0 0 446.572 5.597 50 0 IKAARN CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000012780574 523899148 /nfs/dbraw/zinc/89/91/48/523899148.db2.gz DWDRXCPZZYKJTK-GOSISDBHSA-N 0 0 428.561 5.314 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Cl)c1 ZINC000035768360 523899909 /nfs/dbraw/zinc/89/99/09/523899909.db2.gz ILICROJVLZXSDO-XMMPIXPASA-N 0 0 446.978 5.628 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(N3CCCN([C@@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000034734160 523908341 /nfs/dbraw/zinc/90/83/41/523908341.db2.gz OILFSHDNYQXBRT-FQEVSTJZSA-N 0 0 443.547 5.270 50 0 IKAARN COc1ccc(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC ZINC000012775962 523913189 /nfs/dbraw/zinc/91/31/89/523913189.db2.gz PEHDVHUDIPCQJD-UHFFFAOYSA-N 0 0 437.348 5.239 50 0 IKAARN CC[C@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000035808304 523925351 /nfs/dbraw/zinc/92/53/51/523925351.db2.gz FBXOEZSGBBGTFP-KRWDZBQOSA-N 0 0 447.620 5.333 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc(-c3noc(/C=C/c4ccccc4)n3)cc2)cc1 ZINC000016319670 523926390 /nfs/dbraw/zinc/92/63/90/523926390.db2.gz DTBBYQOWPCLNFI-VCHYOVAHSA-N 0 0 425.488 5.487 50 0 IKAARN COCCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000034712040 523930008 /nfs/dbraw/zinc/93/00/08/523930008.db2.gz MJSXYGKXKHLOLL-UHFFFAOYSA-N 0 0 437.348 5.072 50 0 IKAARN COc1ccc(CCCN(C)C(=O)c2ccccc2SCc2ccsc2)cc1OC ZINC000021972311 523933711 /nfs/dbraw/zinc/93/37/11/523933711.db2.gz OHMFGGSPSBUUCV-UHFFFAOYSA-N 0 0 441.618 5.762 50 0 IKAARN COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1OC ZINC000013006932 523939386 /nfs/dbraw/zinc/93/93/86/523939386.db2.gz TZZOITOSVBLTCO-UHFFFAOYSA-N 0 0 440.543 5.542 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035976831 523940229 /nfs/dbraw/zinc/94/02/29/523940229.db2.gz PGSVPGAWOKBVGZ-IBGZPJMESA-N 0 0 447.579 5.909 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035945260 523942409 /nfs/dbraw/zinc/94/24/09/523942409.db2.gz QDDGUMBCRRYFLT-SFHVURJKSA-N 0 0 441.591 5.707 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035943886 523942571 /nfs/dbraw/zinc/94/25/71/523942571.db2.gz ARFPZVQHPPERIO-KRWDZBQOSA-N 0 0 444.019 5.832 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036032235 523944177 /nfs/dbraw/zinc/94/41/77/523944177.db2.gz ZSMCRKIVYDZINE-IBGZPJMESA-N 0 0 444.622 5.328 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000017364125 523954198 /nfs/dbraw/zinc/95/41/98/523954198.db2.gz CFSTYTFIHOVPCJ-UHFFFAOYSA-N 0 0 430.335 5.225 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000023126826 523959133 /nfs/dbraw/zinc/95/91/33/523959133.db2.gz VQYWDIPJOHUGPN-UHFFFAOYSA-N 0 0 439.562 5.161 50 0 IKAARN COc1ccc(CCNC(=O)C[C@H](c2c[nH]c3ccccc32)c2cccc(F)c2)cc1OC ZINC000035888605 523959404 /nfs/dbraw/zinc/95/94/04/523959404.db2.gz QMYJPEGBDMMVLB-QFIPXVFZSA-N 0 0 446.522 5.205 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)COCc3ccccc3)cc2)cc1 ZINC000035912445 523961629 /nfs/dbraw/zinc/96/16/29/523961629.db2.gz JXOPTRRCLYHQQB-SANMLTNESA-N 0 0 446.572 5.183 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000012413313 523961812 /nfs/dbraw/zinc/96/18/12/523961812.db2.gz VENHZHUFMIOCPA-RUZDIDTESA-N 0 0 448.975 5.382 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000035912418 523962199 /nfs/dbraw/zinc/96/21/99/523962199.db2.gz UWIPWIXEXIMNCB-AREMUKBSSA-N 0 0 430.573 5.599 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000035912411 523962320 /nfs/dbraw/zinc/96/23/20/523962320.db2.gz XUOIYSFOJOUDBN-DEOSSOPVSA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000009663893 523962826 /nfs/dbraw/zinc/96/28/26/523962826.db2.gz HGBVIJFUWDKJTD-UHFFFAOYSA-N 0 0 426.925 5.238 50 0 IKAARN CCc1ccc(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000021657863 523962872 /nfs/dbraw/zinc/96/28/72/523962872.db2.gz HNFXFMSTHZTAOB-UHFFFAOYSA-N 0 0 448.588 5.882 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000012413315 523963164 /nfs/dbraw/zinc/96/31/64/523963164.db2.gz VENHZHUFMIOCPA-VWLOTQADSA-N 0 0 448.975 5.382 50 0 IKAARN CCc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCCC(C)C)cc1 ZINC000021911680 523963191 /nfs/dbraw/zinc/96/31/91/523963191.db2.gz NTLNHRSBIXJPQF-DEOSSOPVSA-N 0 0 449.620 5.083 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)c(OC)c1 ZINC000020286240 523969252 /nfs/dbraw/zinc/96/92/52/523969252.db2.gz GQURWZUUKDCYGC-UHFFFAOYSA-N 0 0 426.925 5.093 50 0 IKAARN CCc1ccc(NC(=O)CS[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000012529477 523974686 /nfs/dbraw/zinc/97/46/86/523974686.db2.gz RWFJYIZDPRQDKW-HNNXBMFYSA-N 0 0 449.601 5.647 50 0 IKAARN CCc1ccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)cc1 ZINC000035534112 523975699 /nfs/dbraw/zinc/97/56/99/523975699.db2.gz NFXKJUIIGOIIER-UHFFFAOYSA-N 0 0 449.605 5.016 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 ZINC000033113217 523979252 /nfs/dbraw/zinc/97/92/52/523979252.db2.gz SGJPRXSUHPLBAW-GOSISDBHSA-N 0 0 449.580 5.073 50 0 IKAARN COc1ccc(CCSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)cc1 ZINC000012550076 523979315 /nfs/dbraw/zinc/97/93/15/523979315.db2.gz YSZWFLUYDUNGPV-UHFFFAOYSA-N 0 0 442.506 6.447 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1 ZINC000034908741 523980257 /nfs/dbraw/zinc/98/02/57/523980257.db2.gz SJBDQISESLGDSE-QHCPKHFHSA-N 0 0 447.485 6.704 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021536105 523983713 /nfs/dbraw/zinc/98/37/13/523983713.db2.gz TYRJENAOMHRJNG-SANMLTNESA-N 0 0 425.507 6.316 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000021536665 523983796 /nfs/dbraw/zinc/98/37/96/523983796.db2.gz PRMOFQSEKQKHIM-NDEPHWFRSA-N 0 0 435.571 6.739 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000033068081 523986680 /nfs/dbraw/zinc/98/66/80/523986680.db2.gz MVKITUVEZYSDER-UHFFFAOYSA-N 0 0 442.519 5.097 50 0 IKAARN COc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)c2ccccn2)cc1OC ZINC000021786875 523991992 /nfs/dbraw/zinc/99/19/92/523991992.db2.gz QTAMLDOGVYDKRK-UHFFFAOYSA-N 0 0 438.936 5.814 50 0 IKAARN CCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 ZINC000012250553 523993512 /nfs/dbraw/zinc/99/35/12/523993512.db2.gz TYPDMDCELGMMNV-UHFFFAOYSA-N 0 0 442.588 5.252 50 0 IKAARN CC[C@H](C)NC(=O)c1csc(CN(Cc2ccc(C)cc2)Cc2ccc(F)cc2)n1 ZINC000035807988 524002705 /nfs/dbraw/zinc/00/27/05/524002705.db2.gz FJDCQICRDODOFT-SFHVURJKSA-N 0 0 425.573 5.321 50 0 IKAARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)s2)cc1 ZINC000021149990 524007618 /nfs/dbraw/zinc/00/76/18/524007618.db2.gz KOUJTTCGYKTZNL-UHFFFAOYSA-N 0 0 449.601 6.277 50 0 IKAARN CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2NCc2ccc(F)cc2)cc1 ZINC000023109790 524017829 /nfs/dbraw/zinc/01/78/29/524017829.db2.gz VNDZOJABAVPFKD-UHFFFAOYSA-N 0 0 434.536 5.690 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3ccc4ccccc4c3)C2=O)cc1 ZINC000012634182 524022162 /nfs/dbraw/zinc/02/21/62/524022162.db2.gz CRBOGLXDNRPYHN-ONUIUJJFSA-N 0 0 434.495 5.484 50 0 IKAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C2CCCCC2)c1C ZINC000036005068 524023005 /nfs/dbraw/zinc/02/30/05/524023005.db2.gz OUHWFJGVMSXICB-MRXNPFEDSA-N 0 0 444.959 5.118 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021892977 524040961 /nfs/dbraw/zinc/04/09/61/524040961.db2.gz APRKTTVMICAZIN-MUUNZHRXSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2OC)cc1 ZINC000021536656 524041324 /nfs/dbraw/zinc/04/13/24/524041324.db2.gz HOXSWTRJZLQIAV-HHHXNRCGSA-N 0 0 437.543 6.185 50 0 IKAARN COc1ccc(CN2c3sc4c(c3C(=O)N[C@H]2c2ccc(C)cc2)CCCC4)cc1OC ZINC000021147825 524043512 /nfs/dbraw/zinc/04/35/12/524043512.db2.gz PMTPUCMPEATYJY-XMMPIXPASA-N 0 0 448.588 5.401 50 0 IKAARN COc1ccc(CNC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc32)cc1 ZINC000015277063 524053470 /nfs/dbraw/zinc/05/34/70/524053470.db2.gz FVWSECGHJKFOLN-UHFFFAOYSA-N 0 0 435.574 5.084 50 0 IKAARN CCc1ccc([C@H]2CN3C(=O)N(c4ccccc4C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012876881 524055513 /nfs/dbraw/zinc/05/55/13/524055513.db2.gz PZGMZQFZHJRMHT-MNNSJKJDSA-N 0 0 449.554 5.868 50 0 biogenic IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000021893063 524056931 /nfs/dbraw/zinc/05/69/31/524056931.db2.gz BSIHLEOOCZYAEL-NDEPHWFRSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021893087 524057141 /nfs/dbraw/zinc/05/71/41/524057141.db2.gz HSDSZKGSFYNFSJ-SANMLTNESA-N 0 0 425.507 6.316 50 0 IKAARN CCc1ccc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1 ZINC000012565619 524060111 /nfs/dbraw/zinc/06/01/11/524060111.db2.gz KFNACFRDFOWPSL-MRXNPFEDSA-N 0 0 427.957 5.003 50 0 IKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4cccc(C)c4)c3c2c1 ZINC000020996441 524060660 /nfs/dbraw/zinc/06/06/60/524060660.db2.gz OBBFJRZPVCLCBJ-UHFFFAOYSA-N 0 0 434.543 6.069 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000002982344 524060905 /nfs/dbraw/zinc/06/09/05/524060905.db2.gz AHHBHOLGUWFZOV-UHFFFAOYSA-N 0 0 443.572 6.109 50 0 IKAARN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(C3CCCCC3)cc2)c1 ZINC000035170975 524061710 /nfs/dbraw/zinc/06/17/10/524061710.db2.gz KSLKGDSOPJWCQU-DEOSSOPVSA-N 0 0 441.575 6.100 50 0 IKAARN CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(OC)cc2)C2CC3CC(C2)CC1C3 ZINC000035170787 524062208 /nfs/dbraw/zinc/06/22/08/524062208.db2.gz HVUDLLWIIBBYAX-UHFFFAOYSA-N 0 0 443.595 5.305 50 0 IKAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(Nc3cccc(Cl)c3C)s2)cc1 ZINC000012780888 524062446 /nfs/dbraw/zinc/06/24/46/524062446.db2.gz SYKGMYCATZFXMT-CYBMUJFWSA-N 0 0 449.001 5.049 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 ZINC000035463017 524063401 /nfs/dbraw/zinc/06/34/01/524063401.db2.gz GKENTGCEAYHJCT-UHFFFAOYSA-N 0 0 428.561 5.879 50 0 IKAARN COc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021361795 524065112 /nfs/dbraw/zinc/06/51/12/524065112.db2.gz LBQMMSVUQJJQGB-UHFFFAOYSA-N 0 0 433.895 5.012 50 0 IKAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000020604849 524067223 /nfs/dbraw/zinc/06/72/23/524067223.db2.gz MFLNULMKVHVLCX-UHFFFAOYSA-N 0 0 436.606 5.646 50 0 IKAARN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Sc1nnc(C)n2c3ccsc3cc12 ZINC000020510712 524069172 /nfs/dbraw/zinc/06/91/72/524069172.db2.gz QHVFOMGEWDPQNH-LJQANCHMSA-N 0 0 438.622 5.887 50 0 IKAARN CCc1cccc(N(C(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)c2nc3ccccc3s2)c1 ZINC000012690858 524070452 /nfs/dbraw/zinc/07/04/52/524070452.db2.gz JYNMSMFHCRRVCN-GOSISDBHSA-N 0 0 444.556 6.194 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@H](CC)c3ccccc3)cc2)c1 ZINC000035928724 524071349 /nfs/dbraw/zinc/07/13/49/524071349.db2.gz GMGIGSLMJCFHQS-SQHAQQRYSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)COc3ccccc3)c2)c1 ZINC000035928757 524071371 /nfs/dbraw/zinc/07/13/71/524071371.db2.gz DZXHVEHBOXHWLC-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)c1 ZINC000035928721 524071384 /nfs/dbraw/zinc/07/13/84/524071384.db2.gz SBMJABHTWIJUJQ-AREMUKBSSA-N 0 0 446.572 5.217 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)COc3ccccc3)cc2)c1 ZINC000035928716 524071465 /nfs/dbraw/zinc/07/14/65/524071465.db2.gz XEHXDJFEZXWSEQ-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN CNC(=O)Nc1cc(C)cc2c1[nH]c(C(=O)NCc1cccc(Cl)c1)c2-c1ccccc1 ZINC000033127286 524079941 /nfs/dbraw/zinc/07/99/41/524079941.db2.gz LYHGVHZWGNWUJS-UHFFFAOYSA-N 0 0 446.938 5.478 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)c1 ZINC000033025270 524088820 /nfs/dbraw/zinc/08/88/20/524088820.db2.gz DCLWCNHFXDCJRV-LJQANCHMSA-N 0 0 438.531 5.695 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033025183 524089515 /nfs/dbraw/zinc/08/95/15/524089515.db2.gz ZGRYTFZSBQCNFA-QGZVFWFLSA-N 0 0 442.494 5.526 50 0 IKAARN COc1cccc([C@@H](CC(=O)N[C@H](C)c2ccccc2)c2c[nH]c3ccccc32)c1OC ZINC000035910668 524091553 /nfs/dbraw/zinc/09/15/53/524091553.db2.gz ONUCWVBHJOGPHD-XMSQKQJNSA-N 0 0 428.532 5.585 50 0 IKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)[C@@H]3C[C@@H]3c3ccccc3)nc2c1 ZINC000023452283 524094390 /nfs/dbraw/zinc/09/43/90/524094390.db2.gz CZCQLXKWLIFZLG-NHCUHLMSSA-N 0 0 432.470 5.747 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc(C)c(Cl)c4)n3)nc2c1 ZINC000021721422 524096033 /nfs/dbraw/zinc/09/60/33/524096033.db2.gz OIHDAXQEENYKNC-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000239309895 524096258 /nfs/dbraw/zinc/09/62/58/524096258.db2.gz HXFMAPRWVFBYGN-MDZLAQPJSA-N 0 0 432.899 5.273 50 0 IKAARN Cc1ccc2occ(-c3cc(-c4ccc(F)cc4)nc4c3COc3ccc(C)cc3-4)c(=O)c2c1 ZINC000020847516 524099606 /nfs/dbraw/zinc/09/96/06/524099606.db2.gz SVPDLWBDPRLLPX-UHFFFAOYSA-N 0 0 449.481 6.837 50 0 IKAARN COc1cccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476840 524100643 /nfs/dbraw/zinc/10/06/43/524100643.db2.gz IULKIGBLRHOGRY-HSZRJFAPSA-N 0 0 429.545 5.914 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)c4ccccc4C)c3)C2=O)c1 ZINC000034736857 524102399 /nfs/dbraw/zinc/10/23/99/524102399.db2.gz GUDKDTRPAYCBMC-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN COc1ccc(CNc2nc(-c3nnc(-c4ccc(Cl)cc4)o3)nc3ccccc32)cc1 ZINC000035560807 524105173 /nfs/dbraw/zinc/10/51/73/524105173.db2.gz WVEGFMBCDJRSQF-UHFFFAOYSA-N 0 0 443.894 5.621 50 0 IKAARN COc1ccc(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)c(OC)c1C ZINC000012326235 524105491 /nfs/dbraw/zinc/10/54/91/524105491.db2.gz GBHIVUHBTOGFNG-UHFFFAOYSA-N 0 0 440.594 5.363 50 0 IKAARN Cc1ccc(C)c(CSc2nnc([C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 ZINC000015987123 524108547 /nfs/dbraw/zinc/10/85/47/524108547.db2.gz GBMUAGYGAQBWKC-HXUWFJFHSA-N 0 0 439.581 5.787 50 0 IKAARN Cc1ccc(C)c(CSc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C(C)C)c1 ZINC000023437063 524108564 /nfs/dbraw/zinc/10/85/64/524108564.db2.gz PIVZYHWWFKUPSV-UHFFFAOYSA-N 0 0 443.638 5.311 50 0 IKAARN Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)/C=C/c3cc(F)ccc3F)C2)c1 ZINC000012056642 524109522 /nfs/dbraw/zinc/10/95/22/524109522.db2.gz XSDQJLCCUAFSSK-MAIVGLDJSA-N 0 0 433.502 5.458 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(C[C@H](C)c4ccccc4)c(=O)c32)c1 ZINC000035400514 524112224 /nfs/dbraw/zinc/11/22/24/524112224.db2.gz NAULQKXKMZKHRH-FQEVSTJZSA-N 0 0 439.534 5.959 50 0 IKAARN Cc1ccc(C)c(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3cccnc32)c1 ZINC000020532440 524112424 /nfs/dbraw/zinc/11/24/24/524112424.db2.gz YAHNYSBNACWHTI-UHFFFAOYSA-N 0 0 427.495 6.408 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000012918487 524115234 /nfs/dbraw/zinc/11/52/34/524115234.db2.gz VDKAHOSBTDFDLQ-UHFFFAOYSA-N 0 0 435.380 5.272 50 0 IKAARN COc1cccc([C@@H]2CCCN2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012761987 524118923 /nfs/dbraw/zinc/11/89/23/524118923.db2.gz CWGBUZYNHAODOK-FQEVSTJZSA-N 0 0 426.900 5.378 50 0 IKAARN Cc1cccc(-c2nc3cc(C)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)c1 ZINC000012208932 524119284 /nfs/dbraw/zinc/11/92/84/524119284.db2.gz GATRYIUWCRAEAL-UHFFFAOYSA-N 0 0 426.585 6.314 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000035482112 524119567 /nfs/dbraw/zinc/11/95/67/524119567.db2.gz FDMPOUDLGLQFJY-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526506 524119653 /nfs/dbraw/zinc/11/96/53/524119653.db2.gz GMRYNQLFCPAZRP-SANMLTNESA-N 0 0 433.552 5.109 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)c1 ZINC000020237884 524123499 /nfs/dbraw/zinc/12/34/99/524123499.db2.gz LALVPBRNOAZVTK-UHFFFAOYSA-N 0 0 448.567 5.020 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(s3)c3ccccc3nc4Cl)CC2)c1 ZINC000020286167 524125189 /nfs/dbraw/zinc/12/51/89/524125189.db2.gz JZZUQKWWRIBOCT-UHFFFAOYSA-N 0 0 435.980 5.682 50 0 IKAARN Cc1cccc(-c2nnc([C@H](C)Sc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)c1 ZINC000012600842 524127870 /nfs/dbraw/zinc/12/78/70/524127870.db2.gz AQHKIHRFLKSRRK-KGLIPLIRSA-N 0 0 438.578 6.135 50 0 IKAARN COc1ccc(CSc2nnc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)s2)cc1 ZINC000012855937 524127877 /nfs/dbraw/zinc/12/78/77/524127877.db2.gz QBBFIZSSDPZFRI-UHFFFAOYSA-N 0 0 442.650 6.807 50 0 IKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3nc(C(C)C)cs3)n2)c1 ZINC000035476124 524130501 /nfs/dbraw/zinc/13/05/01/524130501.db2.gz BDAZRKHUVTWMSR-UHFFFAOYSA-N 0 0 434.521 5.309 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1OC ZINC000012196335 524130964 /nfs/dbraw/zinc/13/09/64/524130964.db2.gz OVQJWZVQCJAZKM-JTSKRJEESA-N 0 0 426.925 5.661 50 0 IKAARN COc1cccc([C@@H]2[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928003 524133171 /nfs/dbraw/zinc/13/31/71/524133171.db2.gz 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C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000035823977 524360845 /nfs/dbraw/zinc/36/08/45/524360845.db2.gz OZMKOAJSAFGHAK-CLWVCHIJSA-N 0 0 440.897 5.600 50 0 IKAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3cccnc3)cc2)c1 ZINC000034676016 524366168 /nfs/dbraw/zinc/36/61/68/524366168.db2.gz HWXIMZURSMSXLT-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN COc1ccc(N([C@H](C)c2ccccc2OC)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036034075 524371680 /nfs/dbraw/zinc/37/16/80/524371680.db2.gz BORWMDSYTSPSLS-QGZVFWFLSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036034067 524372742 /nfs/dbraw/zinc/37/27/42/524372742.db2.gz CCDHWVWUBYVONE-CQSZACIVSA-N 0 0 437.895 5.583 50 0 IKAARN C[C@@H](CC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)CC(C)(C)C ZINC000035912942 524388025 /nfs/dbraw/zinc/38/80/25/524388025.db2.gz HLGXTINHPDAUBB-LBPRGKRZSA-N 0 0 431.549 6.250 50 0 IKAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035912308 524390684 /nfs/dbraw/zinc/39/06/84/524390684.db2.gz RFNMXFHMDTWLKF-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000035180825 524392213 /nfs/dbraw/zinc/39/22/13/524392213.db2.gz GWZCWEWOZJWQAP-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1ccccc1CCC(=O)N(Cc1ccc(OC)c(OC(C)C)c1)C1CCCC1 ZINC000012149109 524392490 /nfs/dbraw/zinc/39/24/90/524392490.db2.gz DRVKAFYTXYTPJI-UHFFFAOYSA-N 0 0 425.569 5.395 50 0 IKAARN COc1ccccc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1Cl ZINC000012094252 524394652 /nfs/dbraw/zinc/39/46/52/524394652.db2.gz HORDULZFKQVBOM-MHZLTWQESA-N 0 0 444.962 5.937 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)[C@@H]1C ZINC000015680099 524395496 /nfs/dbraw/zinc/39/54/96/524395496.db2.gz BTOISCSJPQZRNJ-MDZRGWNJSA-N 0 0 441.959 5.209 50 0 IKAARN Cc1cc(C)cc(N(C(=O)Cn2cnc3sccc3c2=O)c2nc3ccccc3s2)c1 ZINC000023660313 524401190 /nfs/dbraw/zinc/40/11/90/524401190.db2.gz URDOUVOBLOBSIO-UHFFFAOYSA-N 0 0 446.557 5.049 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000021808777 524404206 /nfs/dbraw/zinc/40/42/06/524404206.db2.gz PUIMAPHAOQJZBM-CKWPORTCSA-N 0 0 449.620 5.058 50 0 IKAARN C[C@@H]1CCC[C@H](Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@H]1C ZINC000239321941 524410641 /nfs/dbraw/zinc/41/06/41/524410641.db2.gz IYHXKSRTJBSOST-LQWHRVPQSA-N 0 0 436.625 5.427 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902817 524410753 /nfs/dbraw/zinc/41/07/53/524410753.db2.gz JEOUMOOCNSZJEV-HHHXNRCGSA-N 0 0 429.564 5.126 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902815 524411779 /nfs/dbraw/zinc/41/17/79/524411779.db2.gz JEOUMOOCNSZJEV-MHZLTWQESA-N 0 0 429.564 5.126 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000035928703 524412232 /nfs/dbraw/zinc/41/22/32/524412232.db2.gz YLRBUNRJFBBJDJ-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526547 524412658 /nfs/dbraw/zinc/41/26/58/524412658.db2.gz FDVWOLIEQGHXNI-AREMUKBSSA-N 0 0 433.552 5.109 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cccc(F)c2F)C(C)C)o1 ZINC000035844770 524414979 /nfs/dbraw/zinc/41/49/79/524414979.db2.gz HOXXXDZEYKEZDZ-UHFFFAOYSA-N 0 0 440.534 5.348 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccsc3)no2)s1 ZINC000021599317 524415268 /nfs/dbraw/zinc/41/52/68/524415268.db2.gz SDTZETBUTQWCPM-UHFFFAOYSA-N 0 0 437.590 5.372 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2cccs2)C(C)C)s1 ZINC000035808156 524417476 /nfs/dbraw/zinc/41/74/76/524417476.db2.gz SQQPXYFXDZJLBV-UHFFFAOYSA-N 0 0 444.597 5.337 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)CC(C)(C)C)s1 ZINC000035808150 524418115 /nfs/dbraw/zinc/41/81/15/524418115.db2.gz QTWQHQJIXVCPJZ-UHFFFAOYSA-N 0 0 446.632 5.645 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(Cc2ccco2)C(=O)C(C)C)s1 ZINC000035808246 524419409 /nfs/dbraw/zinc/41/94/09/524419409.db2.gz ZTXZUVDBIPVTMO-UHFFFAOYSA-N 0 0 442.556 5.002 50 0 IKAARN Cc1cccc(CNC(=O)N2CCN(C3=Nc4ccc(C)cc4Oc4ccccc43)CC2)c1 ZINC000034813948 524420406 /nfs/dbraw/zinc/42/04/06/524420406.db2.gz RGIAICVQVXONFS-UHFFFAOYSA-N 0 0 440.547 5.015 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)c1 ZINC000021536480 524427368 /nfs/dbraw/zinc/42/73/68/524427368.db2.gz OWPWWEZSOKGWSX-SANMLTNESA-N 0 0 443.497 6.509 50 0 IKAARN Cc1cc(C)cc(NC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000033266239 524428171 /nfs/dbraw/zinc/42/81/71/524428171.db2.gz ZVOSJDCYQPJWKH-OAQYLSRUSA-N 0 0 432.911 5.918 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000015865525 524430182 /nfs/dbraw/zinc/43/01/82/524430182.db2.gz LELUKMVPNIJFNO-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021808552 524432635 /nfs/dbraw/zinc/43/26/35/524432635.db2.gz JSISYLCKRYNECN-OWRPTYIMSA-N 0 0 449.620 5.121 50 0 IKAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccccc2C(=O)c2ccccc2)=C3)C1 ZINC000020557598 524436785 /nfs/dbraw/zinc/43/67/85/524436785.db2.gz NULXITIUIHMFQQ-INIZCTEOSA-N 0 0 445.609 6.330 50 0 IKAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)NCc2cccc(Br)c2)=C3)C1 ZINC000020557743 524438250 /nfs/dbraw/zinc/43/82/50/524438250.db2.gz HJVNEYPNTKQWJB-LBPRGKRZSA-N 0 0 434.424 5.540 50 0 IKAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2C1 ZINC000012623513 524441347 /nfs/dbraw/zinc/44/13/47/524441347.db2.gz XLJZNDQVAFMYSA-AWEZNQCLSA-N 0 0 442.437 5.174 50 0 IKAARN COc1ccc(N2Cc3cccc(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3C2=O)cc1 ZINC000020216296 524448886 /nfs/dbraw/zinc/44/88/86/524448886.db2.gz KYUOHCSHNGHSOE-BBXRDKHSSA-N 0 0 444.575 5.190 50 0 IKAARN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000033349272 524450942 /nfs/dbraw/zinc/45/09/42/524450942.db2.gz CSCBBOQBWAXRMF-OEAKJJBVSA-N 0 0 433.504 5.950 50 0 IKAARN COc1ccccc1CN1CCOc2c(O)cc(-c3cc(C)c4ccc(F)cc4n3)cc2C1 ZINC000012513139 524452801 /nfs/dbraw/zinc/45/28/01/524452801.db2.gz VKMAXUZCRYXDBH-UHFFFAOYSA-N 0 0 444.506 5.458 50 0 IKAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035911022 524462176 /nfs/dbraw/zinc/46/21/76/524462176.db2.gz LRYFSCCADUPHKS-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3F)C2)c(C)c1 ZINC000012298507 524482024 /nfs/dbraw/zinc/48/20/24/524482024.db2.gz KGBKYNFRPVKSAM-INIZCTEOSA-N 0 0 432.923 5.067 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3cc(C)cc(C)c3)C2=O)cc1 ZINC000020573797 524486504 /nfs/dbraw/zinc/48/65/04/524486504.db2.gz GIJFKFKHHZLQGP-AREMUKBSSA-N 0 0 428.557 5.091 50 0 IKAARN Cc1ccc(CNC(=O)/C=C2\Sc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020725751 524487734 /nfs/dbraw/zinc/48/77/34/524487734.db2.gz VHIFWFIWIBVEKU-IWIPYMOSSA-N 0 0 428.557 5.143 50 0 IKAARN Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000012370091 524495316 /nfs/dbraw/zinc/49/53/16/524495316.db2.gz CHTAZKTUONUFSE-UHFFFAOYSA-N 0 0 431.458 5.688 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1OC ZINC000035462958 524505704 /nfs/dbraw/zinc/50/57/04/524505704.db2.gz ATQACEFEOYKUAR-UHFFFAOYSA-N 0 0 446.532 5.025 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 ZINC000012622591 524510430 /nfs/dbraw/zinc/51/04/30/524510430.db2.gz ZNOBLQVJEUWWTJ-UHFFFAOYSA-N 0 0 435.980 5.455 50 0 IKAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccccc3Cl)c2c1=O ZINC000035400345 524522429 /nfs/dbraw/zinc/52/24/29/524522429.db2.gz PUCAKIHJWIVROX-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021888944 524525245 /nfs/dbraw/zinc/52/52/45/524525245.db2.gz LWNVXJGMNBWZMQ-SANMLTNESA-N 0 0 425.507 5.740 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000021536769 524526222 /nfs/dbraw/zinc/52/62/22/524526222.db2.gz HTRUWSGYMTXAGZ-AREMUKBSSA-N 0 0 441.962 6.254 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000021888947 524526311 /nfs/dbraw/zinc/52/63/11/524526311.db2.gz LWNVXJGMNBWZMQ-AREMUKBSSA-N 0 0 425.507 5.740 50 0 IKAARN Cc1cc(C)n(CCN(C(=O)CSc2ccc(F)cc2)c2nc3ccccc3s2)n1 ZINC000035597609 524526765 /nfs/dbraw/zinc/52/67/65/524526765.db2.gz JRRMAMGMPXEUQZ-UHFFFAOYSA-N 0 0 440.569 5.074 50 0 IKAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)c(OC)c1 ZINC000021656697 524531068 /nfs/dbraw/zinc/53/10/68/524531068.db2.gz NOKXMTPFOIMMCM-UHFFFAOYSA-N 0 0 433.533 5.243 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000035327552 524532011 /nfs/dbraw/zinc/53/20/11/524532011.db2.gz VCHPDNGDXYYCBR-PSRBBBRCSA-N 0 0 437.536 5.109 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915261 524533202 /nfs/dbraw/zinc/53/32/02/524533202.db2.gz FXNYRXVSRNAKRP-IBGZPJMESA-N 0 0 441.575 5.274 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1C ZINC000035927158 524533164 /nfs/dbraw/zinc/53/31/64/524533164.db2.gz ZPTGYKVFTXXOMM-AREMUKBSSA-N 0 0 430.573 5.653 50 0 IKAARN COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1/C(C)=C/c1ccccc1 ZINC000015412593 524535174 /nfs/dbraw/zinc/53/51/74/524535174.db2.gz NQXHWDAJUJXYFG-YJRBMFNESA-N 0 0 440.543 5.164 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000035925132 524535888 /nfs/dbraw/zinc/53/58/88/524535888.db2.gz HETFYYFKUVLURZ-OSPHWJPCSA-N 0 0 440.609 5.875 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1C ZINC000020902771 524536292 /nfs/dbraw/zinc/53/62/92/524536292.db2.gz YRDQLBTXPUIADT-MHZLTWQESA-N 0 0 429.564 5.126 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000015672941 524536540 /nfs/dbraw/zinc/53/65/40/524536540.db2.gz VOJLAEUBUBCLHC-SANMLTNESA-N 0 0 449.620 5.578 50 0 IKAARN Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3ccc(OCC4CCC4)cc3)C3CC3)cc2)n1 ZINC000014994267 524538285 /nfs/dbraw/zinc/53/82/85/524538285.db2.gz WUPMIMJNTOPQLQ-UHFFFAOYSA-N 0 0 443.591 5.532 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)c(C)c1 ZINC000011934408 524546274 /nfs/dbraw/zinc/54/62/74/524546274.db2.gz DLGZXVNRHUTHAY-QHCPKHFHSA-N 0 0 428.532 5.797 50 0 IKAARN Cc1ccc(CNC(=O)c2cc(-c3cnn(-c4ccc(F)cc4)c3C)nc3ccccc32)o1 ZINC000032998600 524554147 /nfs/dbraw/zinc/55/41/47/524554147.db2.gz QOLSPEFQIKNQQK-UHFFFAOYSA-N 0 0 440.478 5.366 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000021880176 524555608 /nfs/dbraw/zinc/55/56/08/524555608.db2.gz WEOMZCAIFLTAPW-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1OC ZINC000021890834 524558397 /nfs/dbraw/zinc/55/83/97/524558397.db2.gz SNHQMUWDCLGPJT-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000021888847 524558534 /nfs/dbraw/zinc/55/85/34/524558534.db2.gz VDLPIBVCYNRDSO-RUZDIDTESA-N 0 0 427.479 5.762 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000033265385 524558636 /nfs/dbraw/zinc/55/86/36/524558636.db2.gz YCBCLLJFSRTRHR-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1OC ZINC000021891213 524558749 /nfs/dbraw/zinc/55/87/49/524558749.db2.gz QJEXEXWGDBXLRU-DEOSSOPVSA-N 0 0 445.544 5.693 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000021890994 524559079 /nfs/dbraw/zinc/55/90/79/524559079.db2.gz OQNABLWJASCDGL-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc(NC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC ZINC000015133528 524560464 /nfs/dbraw/zinc/56/04/64/524560464.db2.gz XVKZNMUQRBAYFU-UHFFFAOYSA-N 0 0 438.527 5.817 50 0 IKAARN C[C@@H](CN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021808324 524587941 /nfs/dbraw/zinc/58/79/41/524587941.db2.gz KWOMUBZGTXXULW-QYBDOPJKSA-N 0 0 449.620 5.170 50 0 IKAARN C[C@@H](CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021808329 524587991 /nfs/dbraw/zinc/58/79/91/524587991.db2.gz KWOMUBZGTXXULW-HFJWLAOPSA-N 0 0 449.620 5.170 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@H]3N2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000017196250 524588176 /nfs/dbraw/zinc/58/81/76/524588176.db2.gz ASRFVHXSSDGGPS-IAGOWNOFSA-N 0 0 433.343 5.027 50 0 IKAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3occc3COc3ccccc3)cc2)n1 ZINC000022378508 524603949 /nfs/dbraw/zinc/60/39/49/524603949.db2.gz QABBBEVRGRBRIN-UHFFFAOYSA-N 0 0 431.517 5.669 50 0 IKAARN COc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3)cc2)c2ccccc2)cc1Cl ZINC000012589951 524608799 /nfs/dbraw/zinc/60/87/99/524608799.db2.gz WMUONEKCDVLBTP-XMMPIXPASA-N 0 0 435.955 5.741 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000035836031 524609144 /nfs/dbraw/zinc/60/91/44/524609144.db2.gz RVVVDJQFULCIIQ-NRFANRHFSA-N 0 0 447.510 5.370 50 0 IKAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000035600960 524610675 /nfs/dbraw/zinc/61/06/75/524610675.db2.gz KGFLCLNPMXKFRV-KXBFYZLASA-N 0 0 426.866 5.303 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021893524 524612311 /nfs/dbraw/zinc/61/23/11/524612311.db2.gz ZCIJNFAKGPBACH-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000021867067 524619210 /nfs/dbraw/zinc/61/92/10/524619210.db2.gz YMKDXFRLJURAQM-CYBMUJFWSA-N 0 0 441.603 5.995 50 0 IKAARN COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020730762 524623007 /nfs/dbraw/zinc/62/30/07/524623007.db2.gz PSNTTYDAPPPORH-RUZDIDTESA-N 0 0 440.543 5.386 50 0 IKAARN Cc1cccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccc(F)cc2)CCCC4)c1C ZINC000021048444 524626128 /nfs/dbraw/zinc/62/61/28/524626128.db2.gz VCSHASKXELWZAO-XMMPIXPASA-N 0 0 434.580 6.562 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)c1C ZINC000021893819 524627565 /nfs/dbraw/zinc/62/75/65/524627565.db2.gz WVJHSLQYFSISIA-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN COc1ccc(NC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)cc1OC ZINC000021043158 524628286 /nfs/dbraw/zinc/62/82/86/524628286.db2.gz SRLNRBAQQJOQJI-UHFFFAOYSA-N 0 0 445.544 5.277 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc1 ZINC000021873324 524628321 /nfs/dbraw/zinc/62/83/21/524628321.db2.gz HMNLOBUBZGWOFW-UHFFFAOYSA-N 0 0 430.529 6.203 50 0 IKAARN COc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3C)C2=O)c1 ZINC000035180872 524630416 /nfs/dbraw/zinc/63/04/16/524630416.db2.gz NZXMNLBSNXCMFK-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1ccccc1NC1(c2nnnn2-c2ccc(C(C)C)cc2)C2CC3CC(C2)CC1C3 ZINC000035170763 524632655 /nfs/dbraw/zinc/63/26/55/524632655.db2.gz JILXQNIXJIGORQ-UHFFFAOYSA-N 0 0 443.595 5.558 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1OC ZINC000033261346 524636675 /nfs/dbraw/zinc/63/66/75/524636675.db2.gz ULMJYKGCJZFUDJ-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN COc1ccccc1NCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659375 524639397 /nfs/dbraw/zinc/63/93/97/524639397.db2.gz WLVYJIICXLCLJC-UHFFFAOYSA-N 0 0 444.922 5.523 50 0 IKAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(C)cc4)C3=O)c2)cc1 ZINC000035180910 524641666 /nfs/dbraw/zinc/64/16/66/524641666.db2.gz SVURUWZPRCJWLM-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN Cc1ccc(CSc2nc3c(c(Sc4ccc(Cl)cc4Cl)n2)CCCC3)cc1 ZINC000012338597 524648175 /nfs/dbraw/zinc/64/81/75/524648175.db2.gz NAYXXUZFJIDDBJ-UHFFFAOYSA-N 0 0 447.456 7.414 50 0 IKAARN Cc1ccc(CSc2nc3cccnc3n2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000020532367 524648363 /nfs/dbraw/zinc/64/83/63/524648363.db2.gz VSLTZVAISNVNSG-UHFFFAOYSA-N 0 0 430.577 5.596 50 0 IKAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccccc2OC(C)C)CC(=O)N3)cc1 ZINC000021784496 524648515 /nfs/dbraw/zinc/64/85/15/524648515.db2.gz CGXCBOOTECAOMJ-SFHVURJKSA-N 0 0 435.549 5.044 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(Cl)ccc2Cl)cc1 ZINC000035911026 524648708 /nfs/dbraw/zinc/64/87/08/524648708.db2.gz SRUYUOQCBCZJAL-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1N1CCCN(Cc2cccc(Cl)c2)C1=O ZINC000034739803 524649426 /nfs/dbraw/zinc/64/94/26/524649426.db2.gz XZNNKLCWKOAUCR-UHFFFAOYSA-N 0 0 439.899 5.026 50 0 IKAARN Cc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)cc1C ZINC000035847448 524650388 /nfs/dbraw/zinc/65/03/88/524650388.db2.gz ICAGOKZWOUIVKC-UHFFFAOYSA-N 0 0 446.447 7.531 50 0 IKAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000015106713 524662068 /nfs/dbraw/zinc/66/20/68/524662068.db2.gz IFHXIXPUKRRMKX-QGZVFWFLSA-N 0 0 426.925 5.445 50 0 IKAARN COc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCCC2)cc1OC ZINC000020212576 524663682 /nfs/dbraw/zinc/66/36/82/524663682.db2.gz QSLSOHVIKHZRQC-UHFFFAOYSA-N 0 0 437.609 5.727 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2cccnc2)cc1 ZINC000012514217 524663721 /nfs/dbraw/zinc/66/37/21/524663721.db2.gz MDLQWIDRYVHYBI-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2cccnc2)cc1 ZINC000012514254 524664830 /nfs/dbraw/zinc/66/48/30/524664830.db2.gz MSTXKSDAVPMRBD-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(=O)C2CCC2)c(-c2ccccc2)nn1C ZINC000035980551 524693904 /nfs/dbraw/zinc/69/39/04/524693904.db2.gz OAIWMETWDXYGNN-UHFFFAOYSA-N 0 0 445.563 5.427 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)C2CCC2)C(C)C)c(C)nn1-c1ccccc1 ZINC000035976517 524694200 /nfs/dbraw/zinc/69/42/00/524694200.db2.gz RLKQSMZPTBQORY-UHFFFAOYSA-N 0 0 433.552 5.519 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccc(C)cc3)c2)ncn1 ZINC000035526598 524694701 /nfs/dbraw/zinc/69/47/01/524694701.db2.gz PQTBENRNIKDZLN-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(=O)C2CCC2)c(C)nn1-c1ccccc1 ZINC000035976709 524694736 /nfs/dbraw/zinc/69/47/36/524694736.db2.gz XOFPJUIHVDOJSJ-UHFFFAOYSA-N 0 0 445.563 5.520 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)C2CCCC2)C(C)C)c(C)nn1-c1ccccc1 ZINC000035976527 524695103 /nfs/dbraw/zinc/69/51/03/524695103.db2.gz GJDRQIHIZUJQEV-UHFFFAOYSA-N 0 0 447.579 5.909 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(=O)C(C)C)c(-c2ccccc2)nn1C ZINC000035980550 524695186 /nfs/dbraw/zinc/69/51/86/524695186.db2.gz XSWGULJORXAFGJ-UHFFFAOYSA-N 0 0 433.552 5.283 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000033068723 524695488 /nfs/dbraw/zinc/69/54/88/524695488.db2.gz IHNXHPJWBQCKFW-UHFFFAOYSA-N 0 0 431.536 5.423 50 0 IKAARN Cc1ccc(Cc2nnc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)o2)cc1 ZINC000021705558 524695846 /nfs/dbraw/zinc/69/58/46/524695846.db2.gz BGQYMKNVCUJGEU-UHFFFAOYSA-N 0 0 436.874 6.072 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)s2)c1C ZINC000021844616 524699999 /nfs/dbraw/zinc/69/99/99/524699999.db2.gz OVFMAEMXELFLKB-INIZCTEOSA-N 0 0 430.624 5.416 50 0 IKAARN COc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3C)C2)cc1OC ZINC000012439110 524702357 /nfs/dbraw/zinc/70/23/57/524702357.db2.gz HVCDYSILELKUEW-OAQYLSRUSA-N 0 0 430.548 5.396 50 0 IKAARN COc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Br)cn32)cc1 ZINC000012370930 524710903 /nfs/dbraw/zinc/71/09/03/524710903.db2.gz HPECEHZFINETLL-UHFFFAOYSA-N 0 0 433.309 5.997 50 0 IKAARN COc1ccc(Nc2nc(-c3nnc(-c4ccc(Cl)cc4)o3)nc3ccccc32)cc1 ZINC000035446401 524716178 /nfs/dbraw/zinc/71/61/78/524716178.db2.gz AZBZXPOEHAQNPQ-UHFFFAOYSA-N 0 0 429.867 5.752 50 0 IKAARN C[C@@H](CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 ZINC000021915996 524718754 /nfs/dbraw/zinc/71/87/54/524718754.db2.gz OWKAULOIWXQEFQ-FQEVSTJZSA-N 0 0 427.548 5.595 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(SCc2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000035840294 524719099 /nfs/dbraw/zinc/71/90/99/524719099.db2.gz ZBSBVTFRMXBLBZ-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN Cc1cccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)c1 ZINC000012855910 524721597 /nfs/dbraw/zinc/72/15/97/524721597.db2.gz CELGLCDEFHBECI-UHFFFAOYSA-N 0 0 430.957 5.409 50 0 IKAARN COc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012419709 524722662 /nfs/dbraw/zinc/72/26/62/524722662.db2.gz MVZXFYFMVCVAKB-UHFFFAOYSA-N 0 0 446.937 5.642 50 0 IKAARN COc1ccc(O)c(-c2nc3ccccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000012381557 524724385 /nfs/dbraw/zinc/72/43/85/524724385.db2.gz DMCCMQHLBGDWFL-UHFFFAOYSA-N 0 0 444.575 6.707 50 0 IKAARN Cc1ccc(Cl)cc1N(C)C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000020597929 524727458 /nfs/dbraw/zinc/72/74/58/524727458.db2.gz JQZCARPNUYMSOK-UHFFFAOYSA-N 0 0 447.966 5.762 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000020903026 524730659 /nfs/dbraw/zinc/73/06/59/524730659.db2.gz RZRIOAVEIUMUFA-VWLOTQADSA-N 0 0 435.955 5.081 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000020902761 524731805 /nfs/dbraw/zinc/73/18/05/524731805.db2.gz ALOWPCVQSZFNPS-AREMUKBSSA-N 0 0 449.982 5.471 50 0 IKAARN C[C@@H]1CN(C(=O)/C=C\c2ccccc2Cl)[C@H](C)CN1C(=O)/C=C/c1ccccc1Cl ZINC000035189739 524738290 /nfs/dbraw/zinc/73/82/90/524738290.db2.gz PNFOVWBPCOGLDD-LNTCTAOHSA-N 0 0 443.374 5.168 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CCn1ccc(C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000020617274 524743076 /nfs/dbraw/zinc/74/30/76/524743076.db2.gz MPZAPHHBBJZPQA-UHFFFAOYSA-N 0 0 431.323 5.088 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C ZINC000012631042 524745682 /nfs/dbraw/zinc/74/56/82/524745682.db2.gz CRWNWHOZKZWRTJ-UHFFFAOYSA-N 0 0 436.968 5.252 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047483 524749542 /nfs/dbraw/zinc/74/95/42/524749542.db2.gz OIZVMHHVBUPGEP-QHCPKHFHSA-N 0 0 437.008 6.768 50 0 IKAARN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000020352918 524764312 /nfs/dbraw/zinc/76/43/12/524764312.db2.gz FPVFEIBTNZKHAV-RARYKJBKSA-N 0 0 433.592 5.727 50 0 IKAARN Cc1cccc(Oc2c(CN(C(=O)C3CCCC3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980715 524782173 /nfs/dbraw/zinc/78/21/73/524782173.db2.gz BIQVZVIFBBUDNC-UHFFFAOYSA-N 0 0 431.580 6.115 50 0 IKAARN Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C)cc2)c1 ZINC000012621679 524786333 /nfs/dbraw/zinc/78/63/33/524786333.db2.gz IAZMKTHBJGTSHO-UHFFFAOYSA-N 0 0 448.523 5.453 50 0 IKAARN Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000012849813 524787421 /nfs/dbraw/zinc/78/74/21/524787421.db2.gz ZXCVNDGQEWBFFS-UHFFFAOYSA-N 0 0 429.303 5.463 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)c1 ZINC000020615414 524790916 /nfs/dbraw/zinc/79/09/16/524790916.db2.gz WOMNTMXUBOAVAO-UHFFFAOYSA-N 0 0 439.437 6.001 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3)no2)c1 ZINC000036012205 524791401 /nfs/dbraw/zinc/79/14/01/524791401.db2.gz AMEADBLRKLUTDR-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)c1 ZINC000020605426 524792109 /nfs/dbraw/zinc/79/21/09/524792109.db2.gz KCAPBOGMQHZDLP-UHFFFAOYSA-N 0 0 441.453 5.799 50 0 IKAARN COc1ccccc1[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCCC1 ZINC000012786265 524793428 /nfs/dbraw/zinc/79/34/28/524793428.db2.gz SBCQHWAVINAONR-KRWDZBQOSA-N 0 0 432.948 5.269 50 0 IKAARN COc1ccccc1[C@H]1CCCN1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012453767 524809294 /nfs/dbraw/zinc/80/92/94/524809294.db2.gz JSUYQPIJWVUBEY-LJQANCHMSA-N 0 0 426.900 5.378 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2Cl)c1 ZINC000035928027 524811206 /nfs/dbraw/zinc/81/12/06/524811206.db2.gz QVIQFNJBEZUHEO-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000035928004 524811502 /nfs/dbraw/zinc/81/15/02/524811502.db2.gz ZNEHPFOPZCXEPY-VWLOTQADSA-N 0 0 434.536 5.484 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000035928037 524811551 /nfs/dbraw/zinc/81/15/51/524811551.db2.gz IOKOYGRYWYYZPV-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000035928036 524812168 /nfs/dbraw/zinc/81/21/68/524812168.db2.gz IOKOYGRYWYYZPV-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)NCCC(c2ccccc2)c2ccccc2)no1 ZINC000012687519 524818925 /nfs/dbraw/zinc/81/89/25/524818925.db2.gz CYKLAOROYXUKNY-UHFFFAOYSA-N 0 0 443.572 5.622 50 0 IKAARN COc1ccc(OC)c(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)c1 ZINC000012509618 524839564 /nfs/dbraw/zinc/83/95/64/524839564.db2.gz LEXDJZKXDJIFPS-UHFFFAOYSA-N 0 0 426.567 5.054 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC2CCCC2)CCCC4)c1 ZINC000021539830 524856038 /nfs/dbraw/zinc/85/60/38/524856038.db2.gz NFOWRURADNXPFZ-RUZDIDTESA-N 0 0 445.632 6.283 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc3c2CCCC3)c1 ZINC000021536723 524856444 /nfs/dbraw/zinc/85/64/44/524856444.db2.gz XLLQOULZPXVZMO-GDLZYMKVSA-N 0 0 447.582 6.802 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000021536741 524856898 /nfs/dbraw/zinc/85/68/98/524856898.db2.gz LVLLFCQDLUUMLJ-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)c1 ZINC000021536730 524857347 /nfs/dbraw/zinc/85/73/47/524857347.db2.gz VNOGQQLRKFIDPI-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c1 ZINC000021879718 524860524 /nfs/dbraw/zinc/86/05/24/524860524.db2.gz KWTLDAIJEYWCLR-RUZDIDTESA-N 0 0 445.494 5.504 50 0 IKAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC000014360611 524877579 /nfs/dbraw/zinc/87/75/79/524877579.db2.gz NRWXKNFNGGMSRJ-IRXDYDNUSA-N 0 0 431.985 5.294 50 0 IKAARN Cc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012617458 524899239 /nfs/dbraw/zinc/89/92/39/524899239.db2.gz BUTAOKSAUSHZIE-WIYYLYMNSA-N 0 0 425.351 6.061 50 0 IKAARN COc1cnc(CSc2ccc(F)cc2)cc1OCC(=O)Nc1ccc(C)cc1C ZINC000015824694 524900917 /nfs/dbraw/zinc/90/09/17/524900917.db2.gz SRECXPLOLJHUHE-UHFFFAOYSA-N 0 0 426.513 5.156 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036034042 524902527 /nfs/dbraw/zinc/90/25/27/524902527.db2.gz UONPZTRHJSQARP-INIZCTEOSA-N 0 0 447.503 5.247 50 0 IKAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=S)NCc2ccccc2)c1 ZINC000012563151 524912888 /nfs/dbraw/zinc/91/28/88/524912888.db2.gz NJZYEWJKUAJHJB-XMMPIXPASA-N 0 0 445.588 5.238 50 0 IKAARN Cc1ccc(N2C(=N)S/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1C ZINC000012462207 524916072 /nfs/dbraw/zinc/91/60/72/524916072.db2.gz JKVXOEJIXAJTBX-MWUCKACSSA-N 0 0 432.520 6.077 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2cccc3ccccc32)cc1 ZINC000035910862 524920339 /nfs/dbraw/zinc/92/03/39/524920339.db2.gz OQHDOAHNDJECTP-HHHXNRCGSA-N 0 0 438.552 6.179 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035912283 524920367 /nfs/dbraw/zinc/92/03/67/524920367.db2.gz QRJWNVYOOYDGBV-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1F ZINC000035928564 524920538 /nfs/dbraw/zinc/92/05/38/524920538.db2.gz BNBSWCQNGUOFQM-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)cc1F ZINC000035928598 524920664 /nfs/dbraw/zinc/92/06/64/524920664.db2.gz WTSPLORFGKJDFY-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000034927549 524921419 /nfs/dbraw/zinc/92/14/19/524921419.db2.gz DVSSNZRWNIUGQO-UHFFFAOYSA-N 0 0 449.498 5.118 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000035910857 524921757 /nfs/dbraw/zinc/92/17/57/524921757.db2.gz RVACPUYWJYQCCU-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1cccc2c(=O)[nH]c(CSc3nnc(-c4sc5ccccc5c4Cl)o3)nc12 ZINC000012883047 524924481 /nfs/dbraw/zinc/92/44/81/524924481.db2.gz XWXUGXBNPIQBCW-UHFFFAOYSA-N 0 0 440.937 5.442 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3ccco3)C(=O)CSc3ccccc3)nc21 ZINC000022899996 524925431 /nfs/dbraw/zinc/92/54/31/524925431.db2.gz YNSIDLIVLKXWGE-UHFFFAOYSA-N 0 0 440.546 5.232 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000012447767 524927743 /nfs/dbraw/zinc/92/77/43/524927743.db2.gz WAUHMWKUQMKFPU-CRICUBBOSA-N 0 0 448.975 5.517 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000021808266 524930757 /nfs/dbraw/zinc/93/07/57/524930757.db2.gz FPDALLQJMZPGOI-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c(C)c1 ZINC000020903251 524930940 /nfs/dbraw/zinc/93/09/40/524930940.db2.gz PBKXERXHTDIVTK-MUUNZHRXSA-N 0 0 443.591 5.516 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1Cl ZINC000021856913 524931236 /nfs/dbraw/zinc/93/12/36/524931236.db2.gz DTBMUMXWGCIIGD-VWLOTQADSA-N 0 0 435.955 5.081 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000020903255 524931339 /nfs/dbraw/zinc/93/13/39/524931339.db2.gz CFVDLAPUJIGIMD-MUUNZHRXSA-N 0 0 443.591 5.516 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000020902807 524931483 /nfs/dbraw/zinc/93/14/83/524931483.db2.gz YCVCJWQLYCWETD-MHZLTWQESA-N 0 0 429.564 5.126 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676998 524931877 /nfs/dbraw/zinc/93/18/77/524931877.db2.gz YETYZZKWGYRAON-MHZLTWQESA-N 0 0 429.564 5.208 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000012651939 524933520 /nfs/dbraw/zinc/93/35/20/524933520.db2.gz KDUGNIIOJSFLIJ-STZFKDTASA-N 0 0 436.433 5.962 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)cc1Cl ZINC000021320978 524941011 /nfs/dbraw/zinc/94/10/11/524941011.db2.gz KKEJUASIBDLVCM-NSHDSACASA-N 0 0 425.262 5.737 50 0 IKAARN C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc2c(c1)OCO2 ZINC000014484905 524941785 /nfs/dbraw/zinc/94/17/85/524941785.db2.gz KJEXSRDVMLFBTI-SFHVURJKSA-N 0 0 440.499 5.547 50 0 IKAARN C[C@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)c1ccc(F)cc1 ZINC000012302506 524944647 /nfs/dbraw/zinc/94/46/47/524944647.db2.gz YUYNMRYVEDOIKA-HNNXBMFYSA-N 0 0 427.907 5.142 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)Cc2cccs2)c1 ZINC000034735986 524946484 /nfs/dbraw/zinc/94/64/84/524946484.db2.gz LXGZVVDVADQVQM-UHFFFAOYSA-N 0 0 433.577 5.378 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)c2ccc(F)cc2F)c1 ZINC000034735797 524946526 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525217230 /nfs/dbraw/zinc/21/72/30/525217230.db2.gz ADOBJIQHJDRIBY-HSZRJFAPSA-N 0 0 436.939 5.279 50 0 IKAARN C[C@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000033434028 525218602 /nfs/dbraw/zinc/21/86/02/525218602.db2.gz GRFGKUZPTSCGCZ-LJQANCHMSA-N 0 0 444.375 5.244 50 0 IKAARN Cc1ccccc1N1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000035776279 525224461 /nfs/dbraw/zinc/22/44/61/525224461.db2.gz RQBZMERWFGMLIJ-XMMPIXPASA-N 0 0 441.550 5.486 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Br)cc3)n3ccccc23)cc1 ZINC000012342006 525228255 /nfs/dbraw/zinc/22/82/55/525228255.db2.gz FMBCAKCLLKGEOU-UHFFFAOYSA-N 0 0 448.320 5.076 50 0 IKAARN C[C@H](NC(=O)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)c1ccccc1 ZINC000035181044 525229898 /nfs/dbraw/zinc/22/98/98/525229898.db2.gz RHNRVWRMSGDWEO-IBGZPJMESA-N 0 0 431.511 5.149 50 0 IKAARN Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000015979764 525230845 /nfs/dbraw/zinc/23/08/45/525230845.db2.gz CCOMWYKRDZACDT-UHFFFAOYSA-N 0 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COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)c(OC)c1 ZINC000022386384 525243361 /nfs/dbraw/zinc/24/33/61/525243361.db2.gz VXRJKKMBPWMIGF-FQEVSTJZSA-N 0 0 440.927 5.309 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000009665704 525243514 /nfs/dbraw/zinc/24/35/14/525243514.db2.gz VLRPGLZZECQOTK-UHFFFAOYSA-N 0 0 432.524 5.172 50 0 IKAARN Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442050 525243748 /nfs/dbraw/zinc/24/37/48/525243748.db2.gz SSBLEHSAMGFGIJ-UHFFFAOYSA-N 0 0 447.289 5.051 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000023386411 525244197 /nfs/dbraw/zinc/24/41/97/525244197.db2.gz PJGXDCQPHXIWCB-IBGZPJMESA-N 0 0 440.927 5.309 50 0 IKAARN Cc1ccccc1NC(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035866908 525249579 /nfs/dbraw/zinc/24/95/79/525249579.db2.gz DBSDFTLHPFFAFC-UHFFFAOYSA-N 0 0 447.608 5.110 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021536751 525250756 /nfs/dbraw/zinc/25/07/56/525250756.db2.gz SEFJAIFMJSQNOG-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021536050 525250986 /nfs/dbraw/zinc/25/09/86/525250986.db2.gz XIDWGCAGPJTAQN-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021536749 525252365 /nfs/dbraw/zinc/25/23/65/525252365.db2.gz SEFJAIFMJSQNOG-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(NC(=O)c2nnc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)s2)cc1 ZINC000021884078 525258893 /nfs/dbraw/zinc/25/88/93/525258893.db2.gz YNIVEJWVQZZPJM-UHFFFAOYSA-N 0 0 428.517 5.327 50 0 IKAARN Cc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1Cl ZINC000033088577 525259456 /nfs/dbraw/zinc/25/94/56/525259456.db2.gz RZABWOHCSWLIQX-UHFFFAOYSA-N 0 0 437.834 5.086 50 0 IKAARN Cc1cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)ccc1Br ZINC000012794239 525259990 /nfs/dbraw/zinc/25/99/90/525259990.db2.gz PVZYMJHOXPGUCP-UHFFFAOYSA-N 0 0 425.311 5.077 50 0 IKAARN Cc1ccc(NC(=O)c2nnc(CSc3nccn3-c3ccc(C)cc3C)s2)cc1 ZINC000012604257 525261512 /nfs/dbraw/zinc/26/15/12/525261512.db2.gz SICJELGZVRWXSP-UHFFFAOYSA-N 0 0 435.578 5.194 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(C)cc(C)c4)C3)s2)cc1 ZINC000033113295 525261668 /nfs/dbraw/zinc/26/16/68/525261668.db2.gz YGCBQYXWOMEYKM-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN C[C@H](NC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F)c1ccccc1 ZINC000012383886 525264115 /nfs/dbraw/zinc/26/41/15/525264115.db2.gz LHAGMIRHQSANDX-ZDUSSCGKSA-N 0 0 428.389 5.045 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1C ZINC000012250495 525265616 /nfs/dbraw/zinc/26/56/16/525265616.db2.gz TYHSWFGOLWDNTH-UHFFFAOYSA-N 0 0 427.573 6.293 50 0 IKAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000012678390 525268446 /nfs/dbraw/zinc/26/84/46/525268446.db2.gz PNCNCRGTYRILHV-RHSMWYFYSA-N 0 0 438.877 5.088 50 0 IKAARN COc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OCc1ccccc1 ZINC000012572849 525268406 /nfs/dbraw/zinc/26/84/06/525268406.db2.gz HZPZYAYYTJDLDS-HHHXNRCGSA-N 0 0 433.511 6.263 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193114 525270251 /nfs/dbraw/zinc/27/02/51/525270251.db2.gz HEHATUBMJXRNOU-GGAORHGYSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193105 525270770 /nfs/dbraw/zinc/27/07/70/525270770.db2.gz HEHATUBMJXRNOU-GMAHTHKFSA-N 0 0 435.321 5.700 50 0 IKAARN Cc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1Cl ZINC000021659318 525274303 /nfs/dbraw/zinc/27/43/03/525274303.db2.gz MSUYAPYPEFDWQG-UHFFFAOYSA-N 0 0 428.923 5.823 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021879927 525277089 /nfs/dbraw/zinc/27/70/89/525277089.db2.gz VXKFSXNWAVTMQW-XMMPIXPASA-N 0 0 431.923 6.010 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000021880015 525277568 /nfs/dbraw/zinc/27/75/68/525277568.db2.gz XLQUERHYHIRXLA-RUZDIDTESA-N 0 0 441.487 5.085 50 0 IKAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Nc3c4ccccc4oc(=O)c32)cc1 ZINC000012561726 525277587 /nfs/dbraw/zinc/27/75/87/525277587.db2.gz UWAIOUIGXXBGGQ-HSZRJFAPSA-N 0 0 435.483 5.533 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021891987 525281322 /nfs/dbraw/zinc/28/13/22/525281322.db2.gz MRGKAIWRVGZCLV-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000021892153 525281863 /nfs/dbraw/zinc/28/18/63/525281863.db2.gz PWJRPANEFXMDQY-AREMUKBSSA-N 0 0 441.506 6.071 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1OC ZINC000021892627 525282364 /nfs/dbraw/zinc/28/23/64/525282364.db2.gz CEPYSPMKCSGUAZ-RUZDIDTESA-N 0 0 431.536 5.052 50 0 IKAARN Cc1ccccc1OCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000012800225 525283602 /nfs/dbraw/zinc/28/36/02/525283602.db2.gz DHSRGCGZVIDGHY-UHFFFAOYSA-N 0 0 446.425 5.657 50 0 IKAARN Cc1cc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)ccc1Br ZINC000021034137 525287859 /nfs/dbraw/zinc/28/78/59/525287859.db2.gz ASEAUKXARKTHQV-UHFFFAOYSA-N 0 0 447.354 5.399 50 0 IKAARN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000012678402 525290851 /nfs/dbraw/zinc/29/08/51/525290851.db2.gz PNCNCRGTYRILHV-PBHICJAKSA-N 0 0 438.877 5.088 50 0 IKAARN Cc1cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)ccc1Br ZINC000021104451 525299241 /nfs/dbraw/zinc/29/92/41/525299241.db2.gz HMVGTLCPJNXRFA-FQEVSTJZSA-N 0 0 426.289 5.058 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)Cc3cccs3)cc12 ZINC000020532823 525307036 /nfs/dbraw/zinc/30/70/36/525307036.db2.gz UPHDKXNDHIKEHU-UHFFFAOYSA-N 0 0 441.478 6.548 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccc(F)cc3)cc12 ZINC000020532809 525307477 /nfs/dbraw/zinc/30/74/77/525307477.db2.gz UQKVDVIGPVTLGE-UHFFFAOYSA-N 0 0 439.412 6.697 50 0 IKAARN Cc1cc(Nc2ccccc2C(F)(F)F)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1 ZINC000020888770 525308384 /nfs/dbraw/zinc/30/83/84/525308384.db2.gz JBKXMWZLMAPQBH-UHFFFAOYSA-N 0 0 425.458 6.160 50 0 IKAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c(Br)c1 ZINC000021104382 525321005 /nfs/dbraw/zinc/32/10/05/525321005.db2.gz OLTNCHBMYOPQMT-HXUWFJFHSA-N 0 0 426.289 5.058 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)Nc3cccc(Br)c3)nc3ccccc32)cc1 ZINC000035429800 525325004 /nfs/dbraw/zinc/32/50/04/525325004.db2.gz JFQKNCNPTNGFLK-UHFFFAOYSA-N 0 0 433.309 5.697 50 0 IKAARN C[C@]12CC3CC(CC(=O)Nc4ccc(Oc5ccc6c(c5)OCO6)cc4)(C1)C[C@@](C)(C3)C2 ZINC000012402572 525341867 /nfs/dbraw/zinc/34/18/67/525341867.db2.gz RRRTZONZVFZPRT-GVGIJBBXSA-N 0 0 433.548 6.533 50 0 IKAARN COc1ccc([C@H](CC(=O)N[C@@H](C)c2ccccc2)c2cn(C)c3ccccc23)cc1OC ZINC000035891458 525344584 /nfs/dbraw/zinc/34/45/84/525344584.db2.gz LTUWGVIKFYKLMW-CVDCTZTESA-N 0 0 442.559 5.595 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2cccc(Cl)c2C)N2Cc3ccccc3C2=O)cc1 ZINC000020560647 525346435 /nfs/dbraw/zinc/34/64/35/525346435.db2.gz COTZAQPSQJBHEE-QHCPKHFHSA-N 0 0 434.923 5.383 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Br)cc1 ZINC000012767005 525351656 /nfs/dbraw/zinc/35/16/56/525351656.db2.gz KSYSWTDZTZJDST-CQSZACIVSA-N 0 0 443.366 5.278 50 0 IKAARN COc1ccc([C@H](NC(=O)/C=C(\C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 ZINC000017193742 525364557 /nfs/dbraw/zinc/36/45/57/525364557.db2.gz PGOVFNZQZSMXCW-IGKWXXDOSA-N 0 0 433.551 6.671 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc(C)c1Br ZINC000001159314 525365576 /nfs/dbraw/zinc/36/55/76/525365576.db2.gz BIQZMADRKYVFBC-UHFFFAOYSA-N 0 0 425.326 5.827 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc(C)c1Cl ZINC000012137056 525365902 /nfs/dbraw/zinc/36/59/02/525365902.db2.gz BPLJFZMUJTYMML-UHFFFAOYSA-N 0 0 428.960 5.379 50 0 IKAARN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 ZINC000012590902 525369589 /nfs/dbraw/zinc/36/95/89/525369589.db2.gz UXTWOSOINHZVJQ-MRXNPFEDSA-N 0 0 447.336 5.188 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 ZINC000012695141 525375944 /nfs/dbraw/zinc/37/59/44/525375944.db2.gz AREFADZJZSHSDA-IYBDPMFKSA-N 0 0 433.021 5.310 50 0 IKAARN C[C@@H](NC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F)c1ccccc1 ZINC000012383887 525376762 /nfs/dbraw/zinc/37/67/62/525376762.db2.gz LHAGMIRHQSANDX-CYBMUJFWSA-N 0 0 428.389 5.045 50 0 IKAARN C[C@@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nnc2ccccn21 ZINC000012679058 525384365 /nfs/dbraw/zinc/38/43/65/525384365.db2.gz AMLAYPRWCKLUEW-QGZVFWFLSA-N 0 0 442.544 5.400 50 0 IKAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2-c2ccccn2)cc1C ZINC000041156004 525393446 /nfs/dbraw/zinc/39/34/46/525393446.db2.gz PADNOGYRCLEVNM-UHFFFAOYSA-N 0 0 432.911 5.222 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1Cl ZINC000021536814 525395782 /nfs/dbraw/zinc/39/57/82/525395782.db2.gz UZCUERUXSGZLOE-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(Cn2cccn2)c1 ZINC000012304395 525396637 /nfs/dbraw/zinc/39/66/37/525396637.db2.gz MWADVORJVGCRHL-MUUNZHRXSA-N 0 0 446.554 5.509 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)c(OC)c1OC ZINC000021157815 525403047 /nfs/dbraw/zinc/40/30/47/525403047.db2.gz VKJBJIWAFFJPFR-OAHLLOKOSA-N 0 0 429.925 5.568 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1 ZINC000021728788 525403181 /nfs/dbraw/zinc/40/31/81/525403181.db2.gz VFRWNZZSWLJCEB-OAQYLSRUSA-N 0 0 429.907 5.675 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)Cc2ccccc2)cc1 ZINC000016383461 525404708 /nfs/dbraw/zinc/40/47/08/525404708.db2.gz CMSRRYQWPGURQP-HSZRJFAPSA-N 0 0 449.348 5.378 50 0 IKAARN COc1ccc([C@H]2CCCCCN2Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000023004319 525409208 /nfs/dbraw/zinc/40/92/08/525409208.db2.gz OJOVPCLKDPRTOL-HXUWFJFHSA-N 0 0 440.544 5.055 50 0 IKAARN Cc1ccc(OCCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000012378334 525414047 /nfs/dbraw/zinc/41/40/47/525414047.db2.gz SXETYYYHJMPVEG-UHFFFAOYSA-N 0 0 428.576 6.690 50 0 IKAARN Cc1ccccc1[C@H](C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000012734009 525414976 /nfs/dbraw/zinc/41/49/76/525414976.db2.gz PDQSWSDFAYPDOI-LBPRGKRZSA-N 0 0 442.363 5.104 50 0 IKAARN Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035190157 525419730 /nfs/dbraw/zinc/41/97/30/525419730.db2.gz PJISJAACZDCYRU-QGZVFWFLSA-N 0 0 429.486 5.197 50 0 IKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)cc1 ZINC000020895116 525424101 /nfs/dbraw/zinc/42/41/01/525424101.db2.gz NOEMXUDAOFZIDY-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)CCc4ccccc4)cc3s2)cc1 ZINC000020895148 525425380 /nfs/dbraw/zinc/42/53/80/525425380.db2.gz CVUNGRCIGHOHES-UHFFFAOYSA-N 0 0 448.613 6.347 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)C(C)(C)C)cc2c1[C@@H](Nc1ccccc1F)c1ccccn1 ZINC000021659673 525428611 /nfs/dbraw/zinc/42/86/11/525428611.db2.gz LLVBILKFXOSCFY-DEOSSOPVSA-N 0 0 430.527 6.197 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccc(C)cc1C ZINC000017025939 525428616 /nfs/dbraw/zinc/42/86/16/525428616.db2.gz QAVGNPBEVYWNBO-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)C(C)(C)C)cc2c1[C@H](Nc1cccc(C)n1)c1ccccn1 ZINC000021659667 525429183 /nfs/dbraw/zinc/42/91/83/525429183.db2.gz BUSSTCAPCNXAIY-XMMPIXPASA-N 0 0 427.552 5.761 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1cccc(F)c1 ZINC000012514185 525429346 /nfs/dbraw/zinc/42/93/46/525429346.db2.gz JSJDJVKIJBHDEV-UHFFFAOYSA-N 0 0 436.531 5.591 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(C)c1C ZINC000017135682 525429535 /nfs/dbraw/zinc/42/95/35/525429535.db2.gz HMBSRIZTZFNHLN-UHFFFAOYSA-N 0 0 435.568 6.267 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@@H](Nc1ccccn1)c1ccccn1 ZINC000021805809 525429771 /nfs/dbraw/zinc/42/97/71/525429771.db2.gz ILXXXTUCUSUBRF-MHZLTWQESA-N 0 0 447.542 6.029 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](Nc1ccccc1F)c1ccccn1 ZINC000021659628 525431195 /nfs/dbraw/zinc/43/11/95/525431195.db2.gz BIQUFAGVCWJJHI-RUZDIDTESA-N 0 0 440.478 6.057 50 0 IKAARN Cc1cc(SCC(=O)NC2CCCCCCC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033070534 525433679 /nfs/dbraw/zinc/43/36/79/525433679.db2.gz KVFAPKQNAJFYAH-UHFFFAOYSA-N 0 0 426.561 5.165 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(C(C)C)cc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268971 525433730 /nfs/dbraw/zinc/43/37/30/525433730.db2.gz IQWDVZAITHWDSA-UHFFFAOYSA-N 0 0 434.540 5.698 50 0 IKAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3N(c4ccccc4)N=NN32)cc1 ZINC000012612162 525437696 /nfs/dbraw/zinc/43/76/96/525437696.db2.gz CQBOKXANAISWSI-QHCPKHFHSA-N 0 0 435.491 5.384 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000021880001 525437879 /nfs/dbraw/zinc/43/78/79/525437879.db2.gz QDMVPXONPSRPBD-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000021879909 525438186 /nfs/dbraw/zinc/43/81/86/525438186.db2.gz BSJUPKBQHFMDKT-VWLOTQADSA-N 0 0 427.504 5.365 50 0 IKAARN Cc1cc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc12 ZINC000012658667 525440319 /nfs/dbraw/zinc/44/03/19/525440319.db2.gz RKEUVDOZOQTFFI-LLVKDONJSA-N 0 0 425.768 6.623 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@@H](C)Oc2ccccc2F)o1 ZINC000009580868 525441467 /nfs/dbraw/zinc/44/14/67/525441467.db2.gz MQQOTKMBSLWEGF-KGLIPLIRSA-N 0 0 425.485 5.502 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)cc1 ZINC000015735412 525442425 /nfs/dbraw/zinc/44/24/25/525442425.db2.gz WKUOJFHJIWIRHQ-QHCPKHFHSA-N 0 0 435.593 5.449 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021892139 525442762 /nfs/dbraw/zinc/44/27/62/525442762.db2.gz OQNXLHPEIZOHLN-VWLOTQADSA-N 0 0 427.479 5.762 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000021892129 525443057 /nfs/dbraw/zinc/44/30/57/525443057.db2.gz NPHFFYWIHZLUNV-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1OC ZINC000021892470 525443433 /nfs/dbraw/zinc/44/34/33/525443433.db2.gz LMRDWJKFYDKGMX-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000058190834 525443656 /nfs/dbraw/zinc/44/36/56/525443656.db2.gz JQNPKPUPSUYRQG-UHFFFAOYSA-N 0 0 430.489 5.034 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)NCc1ccc(F)cc1 ZINC000021894343 525448399 /nfs/dbraw/zinc/44/83/99/525448399.db2.gz LDHQLFKUTPRHHG-SANMLTNESA-N 0 0 425.507 5.740 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)cc1 ZINC000012461719 525467028 /nfs/dbraw/zinc/46/70/28/525467028.db2.gz QRLLRWRHJXMYHG-BGYRXZFFSA-N 0 0 432.520 5.115 50 0 IKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)COc1cccc(Br)c1 ZINC000012524799 525467578 /nfs/dbraw/zinc/46/75/78/525467578.db2.gz QGHRFJKAXBFULF-UHFFFAOYSA-N 0 0 436.309 5.090 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1C ZINC000000702343 525467922 /nfs/dbraw/zinc/46/79/22/525467922.db2.gz JXHQCWHKXPBVFP-CQSZACIVSA-N 0 0 433.986 5.507 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)Nc3ccccc3)c2c1 ZINC000016977475 525479144 /nfs/dbraw/zinc/47/91/44/525479144.db2.gz FXPZIYCMJAQRMW-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)cc(C)c1)[C@@H]3c1ccc(F)cc1 ZINC000015725388 525480650 /nfs/dbraw/zinc/48/06/50/525480650.db2.gz GUXIUADQHUKWRY-AREMUKBSSA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)cc(C)c1)[C@@H]3c1ccc(C)cc1 ZINC000015725462 525481462 /nfs/dbraw/zinc/48/14/62/525481462.db2.gz YDJLJFHNHWSJQB-HHHXNRCGSA-N 0 0 439.559 6.281 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(F)c1)[C@H]3c1ccc(C)cc1 ZINC000021779631 525483001 /nfs/dbraw/zinc/48/30/01/525483001.db2.gz AOJHPZBZTAYYAC-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1)[C@@H]3c1ccc(F)cc1 ZINC000021880119 525483325 /nfs/dbraw/zinc/48/33/25/525483325.db2.gz ROSXDGYWBZKKSS-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1Cl)[C@@H]3c1ccc(F)cc1 ZINC000015725374 525483592 /nfs/dbraw/zinc/48/35/92/525483592.db2.gz BOYYTTBGQZITCR-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc2c(c1)-c1sc(C(=O)NCCc3ccc(Cl)cc3Cl)cc1CC2 ZINC000023424512 525505692 /nfs/dbraw/zinc/50/56/92/525505692.db2.gz UIFUTVACONOUFR-UHFFFAOYSA-N 0 0 432.372 5.802 50 0 IKAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000035684952 525506380 /nfs/dbraw/zinc/50/63/80/525506380.db2.gz UXYIDMPRWSSANC-QGZVFWFLSA-N 0 0 428.414 5.357 50 0 IKAARN Cc1c(-c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)nc2ncccn12 ZINC000016991698 525508799 /nfs/dbraw/zinc/50/87/99/525508799.db2.gz GXHJEGVDJLIETM-UHFFFAOYSA-N 0 0 441.716 5.373 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2cccc(C)c2)cc1 ZINC000016309898 525509449 /nfs/dbraw/zinc/50/94/49/525509449.db2.gz DYAAOMNCBZSKGF-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)Nc3nc(-c4cccnc4)cs3)c2oc1-c1ccccc1 ZINC000022066275 525524034 /nfs/dbraw/zinc/52/40/34/525524034.db2.gz PPAVCNFWQIDROC-UHFFFAOYSA-N 0 0 439.496 5.539 50 0 IKAARN COc1ccc2c(c1)CC[C@@H]1C2=Nc2ccccc2S[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000012368788 525532816 /nfs/dbraw/zinc/53/28/16/525532816.db2.gz JDGSXMVNFYUHTA-HYBUGGRVSA-N 0 0 439.502 7.244 50 0 IKAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]c1-2 ZINC000021018366 525536068 /nfs/dbraw/zinc/53/60/68/525536068.db2.gz GLDXDASUMLIWKL-UHFFFAOYSA-N 0 0 425.488 5.015 50 0 IKAARN Cc1cc([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccccc2)s1 ZINC000035476858 525537215 /nfs/dbraw/zinc/53/72/15/525537215.db2.gz ZJIDHXLBYLKXMG-HSZRJFAPSA-N 0 0 443.528 5.634 50 0 IKAARN CSCC[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000012560226 525547651 /nfs/dbraw/zinc/54/76/51/525547651.db2.gz SITSBMCWGXHLHI-OAHLLOKOSA-N 0 0 426.032 5.122 50 0 IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC1)c1cccn1-2 ZINC000035446881 525550423 /nfs/dbraw/zinc/55/04/23/525550423.db2.gz JNBHZNWSCIPGKD-UHFFFAOYSA-N 0 0 440.906 5.227 50 0 biogenic IKAARN Cc1ccc(S(=O)(=O)N=S=C(Sc2cccs2)c2c(C)cc(C)cc2C)cc1 ZINC000033534761 525560790 /nfs/dbraw/zinc/56/07/90/525560790.db2.gz OSODGKHGZUUSJS-UHFFFAOYSA-N 0 0 447.672 5.907 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NC1CCCCCC1)c2Sc1ccc(Cl)cc1 ZINC000020466828 525597178 /nfs/dbraw/zinc/59/71/78/525597178.db2.gz KUPUFFSKZMXFMM-UHFFFAOYSA-N 0 0 428.985 6.434 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)OC/C=C/Cl)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012693818 525602315 /nfs/dbraw/zinc/60/23/15/525602315.db2.gz DMHJXNFZSYOBLX-XCVCLJGOSA-N 0 0 432.303 5.138 50 0 IKAARN Cc1cc2c(cc1S(=O)(=O)N(Cc1ccco1)C1CCCCC1)[nH]c1c2C(=O)CCC1 ZINC000020990331 525614161 /nfs/dbraw/zinc/61/41/61/525614161.db2.gz WYEUSPYZVWSOFE-UHFFFAOYSA-N 0 0 440.565 5.112 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(C[C@@H](C)c2ccccc2)C3=O)o1 ZINC000021810782 525615702 /nfs/dbraw/zinc/61/57/02/525615702.db2.gz VSEDBXSPLOPKSB-CLYVBNDRSA-N 0 0 447.579 5.010 50 0 IKAARN Cc1c(C(=O)NCCc2ccccc2Cl)sc2ncnc(N3CCCCCC3)c12 ZINC000021116036 525617250 /nfs/dbraw/zinc/61/72/50/525617250.db2.gz LQUPMMAPQLVBFI-UHFFFAOYSA-N 0 0 428.989 5.006 50 0 IKAARN Cc1cc2c(s1)CCc1cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)sc1-2 ZINC000021043680 525629249 /nfs/dbraw/zinc/62/92/49/525629249.db2.gz AOCSPQIQMMLROT-UHFFFAOYSA-N 0 0 429.010 5.499 50 0 IKAARN Cc1c(C(=O)NCc2cnc3ccccc3c2)sc2ncnc(NCc3cccs3)c12 ZINC000014989645 525632353 /nfs/dbraw/zinc/63/23/53/525632353.db2.gz ZBTRBIDLEZWFTF-UHFFFAOYSA-N 0 0 445.573 5.152 50 0 IKAARN COc1ccc2cc3cc(C(=O)N(C)c4cc(Cl)ccc4C)sc3nc2c1Cl ZINC000021087603 525643154 /nfs/dbraw/zinc/64/31/54/525643154.db2.gz JYXGDXPYNYQKSQ-UHFFFAOYSA-N 0 0 431.344 6.350 50 0 IKAARN Cc1c(C(=O)Nc2c(C)cccc2C)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000020464745 525650605 /nfs/dbraw/zinc/65/06/05/525650605.db2.gz FJTIIYBAWHFWED-UHFFFAOYSA-N 0 0 431.532 6.524 50 0 biogenic IKAARN Cc1c(C(=O)Nc2cc(F)ccc2F)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490047 525652552 /nfs/dbraw/zinc/65/25/52/525652552.db2.gz XAKNRPVYVUOGSS-UHFFFAOYSA-N 0 0 433.458 5.437 50 0 IKAARN Cc1c(C(=O)Nc2cc(F)ccc2F)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000015671845 525654099 /nfs/dbraw/zinc/65/40/99/525654099.db2.gz RZQCFOKCGSZZEE-UHFFFAOYSA-N 0 0 439.458 6.330 50 0 biogenic IKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490071 525655564 /nfs/dbraw/zinc/65/55/64/525655564.db2.gz WPQJLWLFWHOGAH-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)c(C)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000012274453 525656020 /nfs/dbraw/zinc/65/60/20/525656020.db2.gz XBTXNCPRFKGFDI-UHFFFAOYSA-N 0 0 443.894 5.598 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3Cl)sc2c1 ZINC000021660622 525657120 /nfs/dbraw/zinc/65/71/20/525657120.db2.gz JVTGCYFEOFYVGD-CQSZACIVSA-N 0 0 442.903 5.066 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C(C)C)cc3)sc2c1 ZINC000033271647 525657846 /nfs/dbraw/zinc/65/78/46/525657846.db2.gz WHMCXHOWVRHSFC-SFHVURJKSA-N 0 0 432.549 5.397 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490037 525659574 /nfs/dbraw/zinc/65/95/74/525659574.db2.gz BGPAMLAHOIVSJI-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN COc1ccc2nc(/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)sc2c1 ZINC000012783226 525659625 /nfs/dbraw/zinc/65/96/25/525659625.db2.gz RKRZUWSEFDCBGZ-XBXARRHUSA-N 0 0 443.500 5.895 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2F)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490129 525661660 /nfs/dbraw/zinc/66/16/60/525661660.db2.gz ZJYDAUGBIMPSRI-UHFFFAOYSA-N 0 0 435.886 5.643 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3)oc2c(C)c1 ZINC000002957324 525668738 /nfs/dbraw/zinc/66/87/38/525668738.db2.gz NUKACEROPJRVSM-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1F ZINC000036394188 525671276 /nfs/dbraw/zinc/67/12/76/525671276.db2.gz MFXMPIWOVRBXKP-AWEZNQCLSA-N 0 0 426.879 5.562 50 0 IKAARN Cc1ccc(Sc2nc3ccccc3cc2/C=C2/N=C(c3ccccc3C)OC2=O)cc1 ZINC000021596679 525672098 /nfs/dbraw/zinc/67/20/98/525672098.db2.gz VOXGTBIYDQEETL-LFVJCYFKSA-N 0 0 436.536 6.347 50 0 IKAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n2o1 ZINC000035448122 525674106 /nfs/dbraw/zinc/67/41/06/525674106.db2.gz GCEAFGDVAIRVLJ-UHFFFAOYSA-N 0 0 445.519 5.033 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(F)c3C)C2)cc1 ZINC000033288484 525674255 /nfs/dbraw/zinc/67/42/55/525674255.db2.gz PCARCXYNDYSBDI-SFHVURJKSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1cc2nc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)sc2cc1C ZINC000012468903 525678086 /nfs/dbraw/zinc/67/80/86/525678086.db2.gz GGHQOSGMGXNFDR-UHFFFAOYSA-N 0 0 443.572 5.668 50 0 IKAARN Cc1c(C)n(-c2ccc(F)cc2)c2nc(C)nc(Nc3ccc(OC(F)(F)F)cc3)c12 ZINC000032960553 525679046 /nfs/dbraw/zinc/67/90/46/525679046.db2.gz BEZOKSLDTINVLH-UHFFFAOYSA-N 0 0 430.405 6.127 50 0 IKAARN Cc1cc2nc(SCc3cc(F)c(F)cc3Cl)oc2c(-n2nc3ccccc3n2)c1 ZINC000012446756 525679735 /nfs/dbraw/zinc/67/97/35/525679735.db2.gz SSMOYOQSKHLVAO-UHFFFAOYSA-N 0 0 442.878 6.094 50 0 IKAARN Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000021801665 525680119 /nfs/dbraw/zinc/68/01/19/525680119.db2.gz YOKUMIAXNMEJBY-UHFFFAOYSA-N 0 0 432.325 5.423 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccc(F)cc2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012322953 525680900 /nfs/dbraw/zinc/68/09/00/525680900.db2.gz SIQYOEYVHJHVJO-UHFFFAOYSA-N 0 0 432.492 5.049 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2Cl)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012406668 525681683 /nfs/dbraw/zinc/68/16/83/525681683.db2.gz BJFQSJINOPPKIF-UHFFFAOYSA-N 0 0 444.984 5.733 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4C)c3c2c1 ZINC000020996457 525682876 /nfs/dbraw/zinc/68/28/76/525682876.db2.gz PFEGHOOZGOIHSY-UHFFFAOYSA-N 0 0 436.515 5.516 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000021801085 525685901 /nfs/dbraw/zinc/68/59/01/525685901.db2.gz DDFAZARAGBMPPP-UHFFFAOYSA-N 0 0 432.325 5.174 50 0 IKAARN Cc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c(N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012372592 525685977 /nfs/dbraw/zinc/68/59/77/525685977.db2.gz XCQONGMZFUUIHF-UHFFFAOYSA-N 0 0 427.328 5.014 50 0 IKAARN Cc1cc2nnc(S[C@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)n2c2ccccc12 ZINC000033710433 525688921 /nfs/dbraw/zinc/68/89/21/525688921.db2.gz LCXQQCBKQWJKKC-SANMLTNESA-N 0 0 448.551 6.389 50 0 IKAARN COc1cccc(-c2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)no2)c1 ZINC000036005690 525705266 /nfs/dbraw/zinc/70/52/66/525705266.db2.gz SWDYKDSPMXDHRO-UHFFFAOYSA-N 0 0 448.544 5.050 50 0 IKAARN Cc1ccnc(SCc2nc3cc(NC(=O)c4ccc(F)c(Cl)c4)ccc3n2C)n1 ZINC000012321346 525708682 /nfs/dbraw/zinc/70/86/82/525708682.db2.gz ZEVBLXYFIJLWKW-UHFFFAOYSA-N 0 0 441.919 5.009 50 0 IKAARN Cc1ccc(-c2c3c(nc(C(F)(F)F)c2C(=O)c2cccs2)sc2c3CCC2)cc1 ZINC000012892862 525711986 /nfs/dbraw/zinc/71/19/86/525711986.db2.gz ZWDZCLGEUATOHX-UHFFFAOYSA-N 0 0 443.515 7.072 50 0 IKAARN COc1cccc(-c2ccc(CNC(=O)COc3ccc(Cl)cc3)c3cnccc23)c1 ZINC000035844604 525712830 /nfs/dbraw/zinc/71/28/30/525712830.db2.gz DCTVZGDEQKSXPJ-UHFFFAOYSA-N 0 0 432.907 5.259 50 0 IKAARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1F ZINC000036394189 525720565 /nfs/dbraw/zinc/72/05/65/525720565.db2.gz MFXMPIWOVRBXKP-CQSZACIVSA-N 0 0 426.879 5.562 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(C/C=C\c4ccccc4)CC3)c3ccccc3n2)o1 ZINC000033332878 525720637 /nfs/dbraw/zinc/72/06/37/525720637.db2.gz SGRGFXFPAURHDC-YFHOEESVSA-N 0 0 437.543 5.274 50 0 IKAARN COc1cccc(-c2nc(C(=O)NCc3ccc(-c4ccc(F)cc4)o3)cs2)c1OC ZINC000012902463 525722069 /nfs/dbraw/zinc/72/20/69/525722069.db2.gz DVWAGOCZLWRPQU-UHFFFAOYSA-N 0 0 438.480 5.156 50 0 IKAARN COc1cccc(-c2nc(C(=O)NCc3cccc(Cl)c3)cc3c4ccccc4[nH]c32)c1 ZINC000012872296 525723267 /nfs/dbraw/zinc/72/32/67/525723267.db2.gz WJIXQSWOEKWCKO-UHFFFAOYSA-N 0 0 441.918 5.975 50 0 biogenic IKAARN COc1cccc(-c2nc(C(=O)N[C@H](C)c3ccccc3Br)cs2)c1OC ZINC000024758938 525723287 /nfs/dbraw/zinc/72/32/87/525723287.db2.gz ZTUNUAHQUBUSMU-GFCCVEGCSA-N 0 0 447.354 5.081 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000020984587 525724300 /nfs/dbraw/zinc/72/43/00/525724300.db2.gz IJLHUXFXTXGZMS-UHFFFAOYSA-N 0 0 432.527 5.573 50 0 IKAARN COc1cccc(-c2nc(CN3CCc4c5ccccc5[nH]c4[C@@H]3C(C)C)c(C)o2)c1OC ZINC000012589059 525725567 /nfs/dbraw/zinc/72/55/67/525725567.db2.gz SQAXSMYUDBJCCY-VWLOTQADSA-N 0 0 445.563 5.904 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000037385497 525726935 /nfs/dbraw/zinc/72/69/35/525726935.db2.gz BPILUDPVHHBLJA-UHFFFAOYSA-N 0 0 442.519 5.291 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000037385114 525727606 /nfs/dbraw/zinc/72/76/06/525727606.db2.gz PZJAAHVWQZUIGB-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017098260 525731510 /nfs/dbraw/zinc/73/15/10/525731510.db2.gz BRAQQVZLPJPKBY-UHFFFAOYSA-N 0 0 432.951 6.553 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)c3ccccc3Cl)n2-c2ccc(C)cc2)c1 ZINC000014356764 525733458 /nfs/dbraw/zinc/73/34/58/525733458.db2.gz PGYDIUHJACSYHZ-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN COc1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2-c2ccccc2)c1 ZINC000012558608 525733590 /nfs/dbraw/zinc/73/35/90/525733590.db2.gz OYCMKQATKFGGGS-UHFFFAOYSA-N 0 0 440.528 5.890 50 0 IKAARN COc1cccc(-c2nnc(SC[C@H](O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000012264710 525733926 /nfs/dbraw/zinc/73/39/26/525733926.db2.gz VHAYJUALHNIUCX-NRFANRHFSA-N 0 0 437.952 5.422 50 0 IKAARN Cc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccccc5F)CC4)n3n2)cc1 ZINC000033115724 525741414 /nfs/dbraw/zinc/74/14/14/525741414.db2.gz YKMRTYLQFSDHQA-UHFFFAOYSA-N 0 0 443.526 5.007 50 0 IKAARN Cc1ccc(-c2ccc(/C=C3/N=C(c4cccc(Br)c4)OC3=O)o2)cc1Cl ZINC000017086215 525742149 /nfs/dbraw/zinc/74/21/49/525742149.db2.gz QZAWIBISWLBPJM-WOJGMQOQSA-N 0 0 442.696 6.015 50 0 IKAARN COc1cccc(-c2noc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000035726444 525742204 /nfs/dbraw/zinc/74/22/04/525742204.db2.gz MNAILZZUUMNAIH-GOSISDBHSA-N 0 0 431.414 5.131 50 0 IKAARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1/C=C\c1cccc(C(F)(F)F)c1 ZINC000020662587 525750107 /nfs/dbraw/zinc/75/01/07/525750107.db2.gz UMGOPLUOADQATH-SEYXRHQNSA-N 0 0 440.852 6.537 50 0 IKAARN COc1cccc(C=C(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2)c1 ZINC000034782334 525761066 /nfs/dbraw/zinc/76/10/66/525761066.db2.gz QYAQNWZEYZVATA-CXTZRUPXSA-N 0 0 443.499 5.009 50 0 IKAARN Cc1ccc(-c2ccsc2C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000014635336 525765704 /nfs/dbraw/zinc/76/57/04/525765704.db2.gz BENMQWOHMLNLRZ-UHFFFAOYSA-N 0 0 443.366 5.163 50 0 IKAARN Cc1ccc(-c2ccsc2C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 ZINC000012798905 525766644 /nfs/dbraw/zinc/76/66/44/525766644.db2.gz LVXIWOOEAINGBE-UHFFFAOYSA-N 0 0 442.588 6.269 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000020856063 525766692 /nfs/dbraw/zinc/76/66/92/525766692.db2.gz JWMGWXUHDLMTLN-UHFFFAOYSA-N 0 0 431.388 6.460 50 0 IKAARN Cc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000012461974 525768536 /nfs/dbraw/zinc/76/85/36/525768536.db2.gz YEJDBAHELIQGHU-UHFFFAOYSA-N 0 0 439.562 7.494 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCCC[C@@H]4C)cc3N(C)C2=O)c1 ZINC000020180457 525770142 /nfs/dbraw/zinc/77/01/42/525770142.db2.gz OKRAUMCWEFLSHA-LCMSMHOWSA-N 0 0 436.577 5.113 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129497 525772341 /nfs/dbraw/zinc/77/23/41/525772341.db2.gz COTUVTJNMHRAQM-UHFFFAOYSA-N 0 0 436.924 6.154 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000018587211 525775282 /nfs/dbraw/zinc/77/52/82/525775282.db2.gz VVKPJIIRWXPSRM-LLVKDONJSA-N 0 0 425.863 5.730 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000865608 525776911 /nfs/dbraw/zinc/77/69/11/525776911.db2.gz PNCVTURHDQMKFE-WMZOPIPTSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000012137334 525779425 /nfs/dbraw/zinc/77/94/25/525779425.db2.gz AMTGMPVTNCNSSL-UHFFFAOYSA-N 0 0 440.952 5.233 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccn([C@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000020617022 525779592 /nfs/dbraw/zinc/77/95/92/525779592.db2.gz WLQFXNXTBRUAFR-CQSZACIVSA-N 0 0 431.323 5.259 50 0 IKAARN Cc1ccc(-c2csc(N3CCN(C(=O)c4ccccc4-c4ccccc4)CC3)n2)cc1 ZINC000012462025 525780684 /nfs/dbraw/zinc/78/06/84/525780684.db2.gz LAARDXHLWGFAQF-UHFFFAOYSA-N 0 0 439.584 5.748 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)cc1C ZINC000012462276 525781930 /nfs/dbraw/zinc/78/19/30/525781930.db2.gz OMBVYELBEAIQNZ-QFIPXVFZSA-N 0 0 433.577 6.983 50 0 IKAARN C[C@@]1(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)CC1(Cl)Cl ZINC000021601526 525783313 /nfs/dbraw/zinc/78/33/13/525783313.db2.gz KODHJRHHWSDLKU-SFHVURJKSA-N 0 0 428.747 5.245 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)[C@@H](Nc3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 ZINC000012568201 525783291 /nfs/dbraw/zinc/78/32/91/525783291.db2.gz GQYKXPAIOUEACX-QHCPKHFHSA-N 0 0 443.528 5.639 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1C ZINC000012620699 525783534 /nfs/dbraw/zinc/78/35/34/525783534.db2.gz BHTPLZYKBATKJL-UHFFFAOYSA-N 0 0 433.558 5.993 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)[C@H](Nc3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 ZINC000012568202 525783817 /nfs/dbraw/zinc/78/38/17/525783817.db2.gz GQYKXPAIOUEACX-HSZRJFAPSA-N 0 0 443.528 5.639 50 0 IKAARN Cc1ccc(-c2csc3[nH]c(CNc4ccccc4N4CCCCC4)nc(=O)c23)s1 ZINC000012528353 525785339 /nfs/dbraw/zinc/78/53/39/525785339.db2.gz SOEABJWXLDWIFU-UHFFFAOYSA-N 0 0 436.606 5.624 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1CCc1nc2ccccc2n1C ZINC000021357184 525785521 /nfs/dbraw/zinc/78/55/21/525785521.db2.gz KBYSYZTZUYJILT-UHFFFAOYSA-N 0 0 439.968 5.121 50 0 IKAARN Cc1ccc(-c2csc3ncnc(S[C@H](C(=O)NC4CC4)c4ccccc4)c23)cc1 ZINC000012760356 525787100 /nfs/dbraw/zinc/78/71/00/525787100.db2.gz KIIWMCBLJQKTTC-NRFANRHFSA-N 0 0 431.586 5.779 50 0 IKAARN Cc1ccc(-c2csc3ncnc(S[C@@H](C(=O)NC4CC4)c4ccccc4)c23)cc1 ZINC000012760350 525787637 /nfs/dbraw/zinc/78/76/37/525787637.db2.gz KIIWMCBLJQKTTC-OAQYLSRUSA-N 0 0 431.586 5.779 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4cc(Cl)ccc4C)c(=O)c23)s1 ZINC000012788380 525788231 /nfs/dbraw/zinc/78/82/31/525788231.db2.gz KBKLFBQOXCVHFR-UHFFFAOYSA-N 0 0 429.954 5.095 50 0 IKAARN COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(cc(C)cc3C)s2)c1OC ZINC000015881822 525791797 /nfs/dbraw/zinc/79/17/97/525791797.db2.gz HDCQOVQUNXCMHM-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccccc1 ZINC000021869104 525791823 /nfs/dbraw/zinc/79/18/23/525791823.db2.gz RHTSHSKSVZZRGT-NDEPHWFRSA-N 0 0 441.575 5.019 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035949288 525792488 /nfs/dbraw/zinc/79/24/88/525792488.db2.gz MNIWBHIDAPRTGB-QHCPKHFHSA-N 0 0 445.588 5.123 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021864247 525793576 /nfs/dbraw/zinc/79/35/76/525793576.db2.gz SYIOUCUVVJITCR-MHZLTWQESA-N 0 0 445.563 5.002 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4OC)ccc3o2)c1 ZINC000034908447 525801301 /nfs/dbraw/zinc/80/13/01/525801301.db2.gz YHERKNSAAUUJJZ-QFIPXVFZSA-N 0 0 428.488 5.489 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)c(C)c4)ccc3o2)c1 ZINC000034908072 525802561 /nfs/dbraw/zinc/80/25/61/525802561.db2.gz GWWPXPODVOHJKD-QHCPKHFHSA-N 0 0 430.479 5.928 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccncc4)n3-c3ccc(C)cc3)no2)cc1 ZINC000012765540 525815998 /nfs/dbraw/zinc/81/59/98/525815998.db2.gz AEHOGRQFEIRBKZ-UHFFFAOYSA-N 0 0 440.532 5.288 50 0 IKAARN Cc1ccc(-c2nc(CSc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cs2)cc1 ZINC000012902991 525816183 /nfs/dbraw/zinc/81/61/83/525816183.db2.gz OGYQQSACTMYYFL-UHFFFAOYSA-N 0 0 431.546 5.245 50 0 IKAARN Cc1ccsc1C(=O)N(Cc1ccncc1)Cc1ccc(OC[C@@H]2CC=CCC2)cc1 ZINC000012152410 525819488 /nfs/dbraw/zinc/81/94/88/525819488.db2.gz XBMMOUGIWNLGIC-HSZRJFAPSA-N 0 0 432.589 6.029 50 0 IKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012855240 525825314 /nfs/dbraw/zinc/82/53/14/525825314.db2.gz ANNNMOKSVXTWLQ-UHFFFAOYSA-N 0 0 427.891 6.704 50 0 IKAARN Cc1ccc(-c2nc3sc4c(c3c(OCC(=O)Nc3ccc(F)cc3)n2)CCCC4)cc1 ZINC000015829987 525826493 /nfs/dbraw/zinc/82/64/93/525826493.db2.gz ZVSPVOCTWXRQOE-UHFFFAOYSA-N 0 0 447.535 5.702 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000002982367 525827216 /nfs/dbraw/zinc/82/72/16/525827216.db2.gz HYYOUCDOVCZUKE-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN COc1cccc(C(=O)Nc2c(C)nc(Nc3ccccc3)nc2Nc2ccccc2)c1 ZINC000021777061 525831873 /nfs/dbraw/zinc/83/18/73/525831873.db2.gz XDDNIOHJOVRXPN-UHFFFAOYSA-N 0 0 425.492 5.533 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3ccc(F)cc3)c2)c1 ZINC000037385520 525833051 /nfs/dbraw/zinc/83/30/51/525833051.db2.gz USOXJQDBCPFPQF-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)c1 ZINC000035910478 525836312 /nfs/dbraw/zinc/83/63/12/525836312.db2.gz HGVZHGYJMVKQTE-AREMUKBSSA-N 0 0 446.572 5.850 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2cc(C(F)(F)F)ccc32)cc1 ZINC000020183480 525836630 /nfs/dbraw/zinc/83/66/30/525836630.db2.gz DUCZRGSVIVTJBP-UHFFFAOYSA-N 0 0 431.461 7.185 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000033497078 525838362 /nfs/dbraw/zinc/83/83/62/525838362.db2.gz UTKBPVALVYZDGU-DGJXDSIKSA-N 0 0 433.555 6.055 50 0 IKAARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC(C)C)C(=O)NC(C)(C)C ZINC000033773238 525841763 /nfs/dbraw/zinc/84/17/63/525841763.db2.gz GZPLGCLWFOBHJA-UHFFFAOYSA-N 0 0 447.620 5.191 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(N5CCCCC5)cc4)cc3)o2)cc1 ZINC000012524867 525843146 /nfs/dbraw/zinc/84/31/46/525843146.db2.gz GQXQXGWRTRVTKQ-UHFFFAOYSA-N 0 0 438.531 5.955 50 0 IKAARN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C(=O)c1ccccc1C)C1CC1 ZINC000035774590 525844069 /nfs/dbraw/zinc/84/40/69/525844069.db2.gz COEVYZWVIOEQEA-UHFFFAOYSA-N 0 0 432.589 5.199 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1C ZINC000012248485 525854824 /nfs/dbraw/zinc/85/48/24/525854824.db2.gz SCAOJVILPVZSKO-UHFFFAOYSA-N 0 0 443.572 5.675 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)c1 ZINC000034848100 525859057 /nfs/dbraw/zinc/85/90/57/525859057.db2.gz XRHXGICKFIGAPT-FYYLOGMGSA-N 0 0 441.369 5.908 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000015725237 525866754 /nfs/dbraw/zinc/86/67/54/525866754.db2.gz YHDQZXBZNYODAA-RUZDIDTESA-N 0 0 429.951 6.618 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000021536641 525867071 /nfs/dbraw/zinc/86/70/71/525867071.db2.gz KZPZJSOSOZCNRT-GDLZYMKVSA-N 0 0 447.582 6.802 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000021536607 525867203 /nfs/dbraw/zinc/86/72/03/525867203.db2.gz SDOGUHVIBDFYLT-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000021536592 525867880 /nfs/dbraw/zinc/86/78/80/525867880.db2.gz JQQPIJURRNFZHN-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(-c2noc(C3CCN(C(=O)Nc4ccccc4Br)CC3)n2)cc1 ZINC000033255246 525874378 /nfs/dbraw/zinc/87/43/78/525874378.db2.gz YJPPZPPGYVWENV-UHFFFAOYSA-N 0 0 441.329 5.219 50 0 IKAARN COc1cccc(CC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000021705278 525874640 /nfs/dbraw/zinc/87/46/40/525874640.db2.gz WHHKVLWYKVXFJS-UHFFFAOYSA-N 0 0 431.517 5.219 50 0 IKAARN Cc1ccc(-c2noc(CCCCCNC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000013145909 525875715 /nfs/dbraw/zinc/87/57/15/525875715.db2.gz XYRYQBUUJCVLPY-UHFFFAOYSA-N 0 0 433.339 5.886 50 0 IKAARN COc1cccc(CC2(CO)CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000012580121 525877213 /nfs/dbraw/zinc/87/72/13/525877213.db2.gz RPNXUCNCYJZHOO-UHFFFAOYSA-N 0 0 430.548 5.211 50 0 IKAARN C[C@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012566568 525888531 /nfs/dbraw/zinc/88/85/31/525888531.db2.gz VDAZZQITAPWIPK-LBPRGKRZSA-N 0 0 429.303 5.214 50 0 IKAARN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012541012 525892299 /nfs/dbraw/zinc/89/22/99/525892299.db2.gz ZZPFNMRNVNVKON-UYTITELCSA-N 0 0 444.531 5.125 50 0 IKAARN Cc1ccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)cc1C ZINC000020662566 525892677 /nfs/dbraw/zinc/89/26/77/525892677.db2.gz JTVUUZVFFRBZER-GXDHUFHOSA-N 0 0 431.333 5.935 50 0 IKAARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012566567 525893181 /nfs/dbraw/zinc/89/31/81/525893181.db2.gz VDAZZQITAPWIPK-GFCCVEGCSA-N 0 0 429.303 5.214 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCO)-c2ccccc2CC32CCCCC2)cc1 ZINC000020894516 525894774 /nfs/dbraw/zinc/89/47/74/525894774.db2.gz WNVOOAMAGOGRMD-UHFFFAOYSA-N 0 0 432.589 5.050 50 0 biogenic IKAARN Cc1ccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2C2CCCCC2)cc1 ZINC000035847416 525900964 /nfs/dbraw/zinc/90/09/64/525900964.db2.gz NVBRSYHXESDWHM-UHFFFAOYSA-N 0 0 431.527 6.935 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(F)c3F)nnc2-c2ccccc2Cl)cc1 ZINC000035848199 525901686 /nfs/dbraw/zinc/90/16/86/525901686.db2.gz PIDSTQMRMVBZGY-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4ccc(F)cc4)n(C)c(=O)c3sc2=S)cc1 ZINC000032952665 525903516 /nfs/dbraw/zinc/90/35/16/525903516.db2.gz HHPYHAKXPFVDIJ-UHFFFAOYSA-N 0 0 429.567 5.255 50 0 IKAARN COc1cccc(CN(C)C(=O)CSc2nc(-c3cccs3)nc3ccccc32)c1 ZINC000012777601 525907818 /nfs/dbraw/zinc/90/78/18/525907818.db2.gz SIEXTBOQESBJFR-UHFFFAOYSA-N 0 0 435.574 5.118 50 0 IKAARN Cc1c([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 ZINC000012868225 525910425 /nfs/dbraw/zinc/91/04/25/525910425.db2.gz CZRFPZYZFBFQLY-AWEZNQCLSA-N 0 0 426.442 5.101 50 0 IKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000012111578 525923149 /nfs/dbraw/zinc/92/31/49/525923149.db2.gz NLUAEVJTIMXVNM-JPYJTQIMSA-N 0 0 429.988 5.613 50 0 IKAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012932512 525925996 /nfs/dbraw/zinc/92/59/96/525925996.db2.gz YLPUXFKYDDMTCF-LSDHHAIUSA-N 0 0 445.382 5.232 50 0 IKAARN Cc1ccc(-n2nc(C(=O)NCCc3ccc(Cl)cc3Cl)nc2-c2ccoc2)cc1 ZINC000034911244 525926779 /nfs/dbraw/zinc/92/67/79/525926779.db2.gz PDHWEFFPORLPPU-UHFFFAOYSA-N 0 0 441.318 5.115 50 0 IKAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3ccc(Cl)cc3)cc2=O)s1 ZINC000021535923 525941561 /nfs/dbraw/zinc/94/15/61/525941561.db2.gz XGMUMWQZRJLYPG-UHFFFAOYSA-N 0 0 441.965 5.262 50 0 IKAARN Cc1c2cc(Cl)c3c(c2oc(=O)c1Cc1ccccc1)CN(CCc1ccccc1)CO3 ZINC000020412240 525952034 /nfs/dbraw/zinc/95/20/34/525952034.db2.gz FZGPSMZTHTULIB-UHFFFAOYSA-N 0 0 445.946 5.740 50 0 IKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 ZINC000011913973 525952193 /nfs/dbraw/zinc/95/21/93/525952193.db2.gz AZYGPBZGPWVSPA-UHFFFAOYSA-N 0 0 425.872 5.793 50 0 IKAARN CSc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)cc1 ZINC000012112239 525958714 /nfs/dbraw/zinc/95/87/14/525958714.db2.gz MYVQAKCSRSTTIS-QGZVFWFLSA-N 0 0 431.001 5.011 50 0 IKAARN Cc1c2cc(OC(=O)c3cccs3)ccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000011866278 525961282 /nfs/dbraw/zinc/96/12/82/525961282.db2.gz PVNKFBYYKMPKNO-UHFFFAOYSA-N 0 0 441.302 5.812 50 0 IKAARN Cc1c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000016837869 525961530 /nfs/dbraw/zinc/96/15/30/525961530.db2.gz ZELMKUSTZCXOAO-UHFFFAOYSA-N 0 0 445.946 7.175 50 0 IKAARN Cc1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729387 525965181 /nfs/dbraw/zinc/96/51/81/525965181.db2.gz VTQAJORXWNABIH-UHFFFAOYSA-N 0 0 425.528 6.830 50 0 IKAARN Cc1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659936 525965843 /nfs/dbraw/zinc/96/58/43/525965843.db2.gz CTYXTDWEBWZBQM-UHFFFAOYSA-N 0 0 445.946 7.175 50 0 IKAARN C[C@H](C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(-c2ccccc2)c(F)c1 ZINC000012390384 525972363 /nfs/dbraw/zinc/97/23/63/525972363.db2.gz ZINZFFJYSLIRTO-GHTZIAJQSA-N 0 0 428.511 5.045 50 0 IKAARN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012550046 525974128 /nfs/dbraw/zinc/97/41/28/525974128.db2.gz GDELKDSADKXXGL-HNNXBMFYSA-N 0 0 448.523 5.068 50 0 IKAARN CSc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(-c4ccccc4)nc4ccccc43)O2)cc1 ZINC000021941443 525982087 /nfs/dbraw/zinc/98/20/87/525982087.db2.gz GXZUPSMJZKNGGR-AREMUKBSSA-N 0 0 439.540 5.863 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1 ZINC000021891552 525984092 /nfs/dbraw/zinc/98/40/92/525984092.db2.gz IEJTZRRRCLJXGC-DEOSSOPVSA-N 0 0 429.545 5.362 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000021893489 525984984 /nfs/dbraw/zinc/98/49/84/525984984.db2.gz HLDIXOZKHPJLLA-HHHXNRCGSA-N 0 0 437.543 5.609 50 0 IKAARN CSc1ccc(CN(C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)cc1 ZINC000012866338 525986763 /nfs/dbraw/zinc/98/67/63/525986763.db2.gz ACSOTYVFMABZCW-UHFFFAOYSA-N 0 0 435.618 5.622 50 0 IKAARN CSc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000012892981 525987065 /nfs/dbraw/zinc/98/70/65/525987065.db2.gz MCIUWLVOHKYHHF-UHFFFAOYSA-N 0 0 442.009 5.659 50 0 IKAARN CSc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000032974952 525995324 /nfs/dbraw/zinc/99/53/24/525995324.db2.gz ZHXCOGHOPZALIK-UHFFFAOYSA-N 0 0 441.600 5.819 50 0 IKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccc(F)c(F)c1F ZINC000013113325 526000360 /nfs/dbraw/zinc/00/03/60/526000360.db2.gz UGRLMBAZYKNRDC-MRVPVSSYSA-N 0 0 431.361 5.185 50 0 IKAARN C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000012773894 526006475 /nfs/dbraw/zinc/00/64/75/526006475.db2.gz VRWNQBTZKXLNGE-LBPRGKRZSA-N 0 0 444.347 5.242 50 0 IKAARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012569371 526006962 /nfs/dbraw/zinc/00/69/62/526006962.db2.gz GLFJZZLVDNZKNI-SNVBAGLBSA-N 0 0 442.418 6.089 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(Cl)c1Cl)C(N)=O ZINC000012587513 526008086 /nfs/dbraw/zinc/00/80/86/526008086.db2.gz NPIAOSBVGMMUSA-GFCCVEGCSA-N 0 0 449.407 5.505 50 0 IKAARN C[C@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)Nc1cccc2ccccc21 ZINC000012592989 526008198 /nfs/dbraw/zinc/00/81/98/526008198.db2.gz WMJOHMZQOYEHEA-ZDUSSCGKSA-N 0 0 441.578 6.075 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000012911936 526008947 /nfs/dbraw/zinc/00/89/47/526008947.db2.gz QJHDRGGJWABIJX-INIZCTEOSA-N 0 0 440.588 5.058 50 0 IKAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1nc2ccccc2s1 ZINC000012810108 526012298 /nfs/dbraw/zinc/01/22/98/526012298.db2.gz JCDQLHLLVNIAJA-ZDUSSCGKSA-N 0 0 442.997 6.308 50 0 IKAARN C[C@H](Sc1nnc(Cc2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000022377726 526012377 /nfs/dbraw/zinc/01/23/77/526012377.db2.gz ZOTXPCJKCSFKKH-LBPRGKRZSA-N 0 0 432.427 5.583 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000012755634 526013299 /nfs/dbraw/zinc/01/32/99/526013299.db2.gz TYWCELCBAAWROI-CQSZACIVSA-N 0 0 425.583 5.453 50 0 IKAARN CSc1ccc(Cl)c(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 ZINC000012929449 526014741 /nfs/dbraw/zinc/01/47/41/526014741.db2.gz JLYAGJRRWKTDIQ-UHFFFAOYSA-N 0 0 436.762 5.322 50 0 IKAARN C[C@@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000012557986 526014780 /nfs/dbraw/zinc/01/47/80/526014780.db2.gz AELIIVQRFVIIDR-UONOGXRCSA-N 0 0 432.952 5.046 50 0 IKAARN Cc1cc(-c2cc(C(=O)N[C@H]3CCOc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000012901532 526039435 /nfs/dbraw/zinc/03/94/35/526039435.db2.gz ZSHQXGPYTDKMIT-NRFANRHFSA-N 0 0 430.508 5.143 50 0 IKAARN CSc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cc1 ZINC000012527816 526040327 /nfs/dbraw/zinc/04/03/27/526040327.db2.gz BTDIGDXUCFDLAD-UHFFFAOYSA-N 0 0 446.376 5.279 50 0 IKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)COCc4ccccc4)nc3c2)ccc1F ZINC000034908074 526041863 /nfs/dbraw/zinc/04/18/63/526041863.db2.gz PUSAMXUKLLVQBJ-DEOSSOPVSA-N 0 0 444.506 5.823 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000033115651 526048891 /nfs/dbraw/zinc/04/88/91/526048891.db2.gz OFFXRSGMZJLVKL-VWLOTQADSA-N 0 0 448.975 5.733 50 0 IKAARN Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2C)c2ccc(Br)cn2)c(C)c1 ZINC000016284730 526052977 /nfs/dbraw/zinc/05/29/77/526052977.db2.gz IWRKDAIGDNIHNU-UHFFFAOYSA-N 0 0 437.337 5.565 50 0 IKAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2OCC1=O ZINC000035909679 526056945 /nfs/dbraw/zinc/05/69/45/526056945.db2.gz XKUGVSDZQRQNIH-HNNXBMFYSA-N 0 0 438.886 5.214 50 0 IKAARN Cc1cc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)nn1C ZINC000012369590 526060646 /nfs/dbraw/zinc/06/06/46/526060646.db2.gz RMURLODCQLSSQK-UHFFFAOYSA-N 0 0 430.364 5.575 50 0 IKAARN CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000015413248 526062832 /nfs/dbraw/zinc/06/28/32/526062832.db2.gz LFTHMJANVMMQIJ-RUZDIDTESA-N 0 0 430.573 5.455 50 0 IKAARN C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2OCC1=O ZINC000035909680 526063597 /nfs/dbraw/zinc/06/35/97/526063597.db2.gz XKUGVSDZQRQNIH-OAHLLOKOSA-N 0 0 438.886 5.214 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561639 526064235 /nfs/dbraw/zinc/06/42/35/526064235.db2.gz ARYRJVRHRUXSRY-BWKNWUBXSA-N 0 0 430.529 5.422 50 0 IKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021889506 526067043 /nfs/dbraw/zinc/06/70/43/526067043.db2.gz ZZPZUCWROPSGHP-XMMPIXPASA-N 0 0 429.545 5.607 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035840263 526070717 /nfs/dbraw/zinc/07/07/17/526070717.db2.gz BGOTYZYGVBTEQX-UHFFFAOYSA-N 0 0 432.332 6.135 50 0 IKAARN Cc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)cc1NC(=O)c1ccco1 ZINC000012785217 526074764 /nfs/dbraw/zinc/07/47/64/526074764.db2.gz KRBBVEJXMKKWNG-UHFFFAOYSA-N 0 0 444.556 5.787 50 0 IKAARN CSc1ccc([C@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000020868229 526077483 /nfs/dbraw/zinc/07/74/83/526077483.db2.gz RREIEDNXHNCUOK-DEOSSOPVSA-N 0 0 445.544 5.459 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000021715586 526077784 /nfs/dbraw/zinc/07/77/84/526077784.db2.gz PXISPNGNVHKXLB-SANMLTNESA-N 0 0 441.600 5.744 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000021715600 526078323 /nfs/dbraw/zinc/07/83/23/526078323.db2.gz TXOBJJPYXLSJNO-VWLOTQADSA-N 0 0 442.540 5.406 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016749726 526078576 /nfs/dbraw/zinc/07/85/76/526078576.db2.gz ODJQWGVWEAERDR-QHCPKHFHSA-N 0 0 427.525 5.303 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035385235 526079072 /nfs/dbraw/zinc/07/90/72/526079072.db2.gz BQMLQUNENOJSDS-UQQQWYQISA-N 0 0 440.930 6.211 50 0 IKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021536247 526080080 /nfs/dbraw/zinc/08/00/80/526080080.db2.gz IZEPDNYOMYEULB-VWLOTQADSA-N 0 0 443.547 6.475 50 0 IKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000012910684 526080290 /nfs/dbraw/zinc/08/02/90/526080290.db2.gz JCUNTIYPDUOFSQ-HXUWFJFHSA-N 0 0 438.531 5.017 50 0 IKAARN Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)s1 ZINC000012203250 526083194 /nfs/dbraw/zinc/08/31/94/526083194.db2.gz UMWBXOQQBMSNOO-UHFFFAOYSA-N 0 0 438.980 5.868 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902838 526090328 /nfs/dbraw/zinc/09/03/28/526090328.db2.gz BOFKLBCZMBJPMW-PPHZAIPVSA-N 0 0 429.564 5.066 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021527627 526097079 /nfs/dbraw/zinc/09/70/79/526097079.db2.gz WEXPOTZUCZEQQP-NGOKVRLYSA-N 0 0 443.591 5.456 50 0 IKAARN C[C@@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)cc2ccsc21 ZINC000035844290 526098635 /nfs/dbraw/zinc/09/86/35/526098635.db2.gz OQNCFEXXKVHLGX-ROUUACIJSA-N 0 0 437.609 5.031 50 0 IKAARN Cc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)c(NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000021361638 526098862 /nfs/dbraw/zinc/09/88/62/526098862.db2.gz YGZNPIIWKBNOGO-UHFFFAOYSA-N 0 0 435.955 6.002 50 0 IKAARN COc1cccc(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400294 526108855 /nfs/dbraw/zinc/10/88/55/526108855.db2.gz CDAQSRHLUZCCOJ-UHFFFAOYSA-N 0 0 429.907 5.110 50 0 IKAARN C[C@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)C(C)(C)C)[C@H](C)C2)cc2ccsc21 ZINC000035844291 526108911 /nfs/dbraw/zinc/10/89/11/526108911.db2.gz OQNCFEXXKVHLGX-QZTJIDSGSA-N 0 0 437.609 5.031 50 0 IKAARN COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccccc4Cl)c3c2=O)c1 ZINC000035400759 526109266 /nfs/dbraw/zinc/10/92/66/526109266.db2.gz QPMZGMPZNUJPLU-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN COc1cccc(Cn2cnc3c4ccccc4n(Cc4cccc(Cl)c4)c3c2=O)c1 ZINC000035400271 526109939 /nfs/dbraw/zinc/10/99/39/526109939.db2.gz PPTMNXFGKKJGCI-UHFFFAOYSA-N 0 0 429.907 5.110 50 0 IKAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4ccccc4Cl)c3c2=O)c1 ZINC000035400430 526110058 /nfs/dbraw/zinc/11/00/58/526110058.db2.gz RITLCOBLWLOTOE-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN COc1cccc(Cn2ccnc2CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)c1 ZINC000035979929 526110354 /nfs/dbraw/zinc/11/03/54/526110354.db2.gz LVMJBMZDZLKMQD-UHFFFAOYSA-N 0 0 435.911 5.029 50 0 IKAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cc(C)ccc4C)c3c2=O)c1 ZINC000035400450 526110800 /nfs/dbraw/zinc/11/08/00/526110800.db2.gz DYFNVQFUEAECKI-UHFFFAOYSA-N 0 0 441.506 5.212 50 0 IKAARN COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4cccc(Cl)c4)c3c2=O)c1 ZINC000035400765 526110962 /nfs/dbraw/zinc/11/09/62/526110962.db2.gz FPRMYYWZZRPMKT-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 ZINC000016975382 526113728 /nfs/dbraw/zinc/11/37/28/526113728.db2.gz PWUXKJWTVADAEM-UHFFFAOYSA-N 0 0 440.981 5.502 50 0 IKAARN Cc1ccc2[nH]cc(CCNC(=O)c3cc4c(-c5ccc(Cl)cc5)nn(C)c4s3)c2c1 ZINC000035447423 526114109 /nfs/dbraw/zinc/11/41/09/526114109.db2.gz GJGFUMBIRZMUDC-UHFFFAOYSA-N 0 0 448.979 5.717 50 0 IKAARN CSc1cccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 ZINC000023126794 526116512 /nfs/dbraw/zinc/11/65/12/526116512.db2.gz BYNDXBFNSXITBW-UHFFFAOYSA-N 0 0 441.965 5.139 50 0 IKAARN CSc1cccc(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)c1 ZINC000021528350 526116974 /nfs/dbraw/zinc/11/69/74/526116974.db2.gz HFNBNLMNFKNWBQ-UHFFFAOYSA-N 0 0 438.553 5.223 50 0 IKAARN CSc1cccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000015821948 526119100 /nfs/dbraw/zinc/11/91/00/526119100.db2.gz FASHTPDEGJBENM-UHFFFAOYSA-N 0 0 449.555 5.093 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000021536744 526124267 /nfs/dbraw/zinc/12/42/67/526124267.db2.gz UFGSECPKMJQAON-AREMUKBSSA-N 0 0 439.584 6.645 50 0 IKAARN C[C@@H](c1ccco1)N(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000012490735 526128272 /nfs/dbraw/zinc/12/82/72/526128272.db2.gz KEZXPMARGGPJFN-KRWDZBQOSA-N 0 0 436.433 6.768 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc(-c3nnc(Cc4ccc(C)cc4)o3)cc2)c1 ZINC000021705573 526129661 /nfs/dbraw/zinc/12/96/61/526129661.db2.gz PGUXQNOGCSRAFA-UHFFFAOYSA-N 0 0 430.533 6.002 50 0 IKAARN Cc1ccc2c(Cl)c(C(=O)N3CCC(c4nc5ccccc5s4)CC3)sc2c1 ZINC000020897311 526131230 /nfs/dbraw/zinc/13/12/30/526131230.db2.gz FNKJRNQNAJTVAI-UHFFFAOYSA-N 0 0 426.994 6.493 50 0 IKAARN CSc1cccc(NC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1 ZINC000020565053 526135350 /nfs/dbraw/zinc/13/53/50/526135350.db2.gz BAJICPMVMNVCLK-UHFFFAOYSA-N 0 0 436.562 5.200 50 0 IKAARN CSc1cccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021915269 526135400 /nfs/dbraw/zinc/13/54/00/526135400.db2.gz BOXMIXZUNKFLEK-UHFFFAOYSA-N 0 0 431.561 5.498 50 0 IKAARN CSc1cccc(NC(=S)N(C2CCN(C(C)=O)CC2)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020728507 526139599 /nfs/dbraw/zinc/13/95/99/526139599.db2.gz WCCRSQPMOJIRFA-HYFFOGBASA-N 0 0 433.687 5.243 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(C)c1 ZINC000001268181 526144249 /nfs/dbraw/zinc/14/42/49/526144249.db2.gz WAJXNNONTANVNL-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN CSc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc21 ZINC000012493985 526144442 /nfs/dbraw/zinc/14/44/42/526144442.db2.gz ZNMIGKBPVOHMRN-UHFFFAOYSA-N 0 0 444.434 5.349 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1C ZINC000002979491 526146193 /nfs/dbraw/zinc/14/61/93/526146193.db2.gz CYLLQLKSQJUTFY-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CSc1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012718437 526147204 /nfs/dbraw/zinc/14/72/04/526147204.db2.gz YPRCPSSHUSRVGZ-HXUWFJFHSA-N 0 0 444.600 5.358 50 0 IKAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000012623257 526155964 /nfs/dbraw/zinc/15/59/64/526155964.db2.gz CUGDPVBYWUYCEZ-CQSZACIVSA-N 0 0 430.335 5.044 50 0 IKAARN COc1cccc(N2CCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)CC2)c1 ZINC000018254356 526157250 /nfs/dbraw/zinc/15/72/50/526157250.db2.gz ZBLQMAXOODFIHB-UHFFFAOYSA-N 0 0 445.950 5.184 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000012919379 526168485 /nfs/dbraw/zinc/16/84/85/526168485.db2.gz FPXJQOTZFUPRAH-HXUWFJFHSA-N 0 0 447.423 5.467 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 ZINC000015880593 526170830 /nfs/dbraw/zinc/17/08/30/526170830.db2.gz QLTHJJJABXGHGP-UHFFFAOYSA-N 0 0 445.342 5.039 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)Cc3ccccc3)[C@@H](C)C1)=N2 ZINC000034813771 526177653 /nfs/dbraw/zinc/17/76/53/526177653.db2.gz NCDCCYVGCWADBA-NRFANRHFSA-N 0 0 439.559 5.263 50 0 IKAARN C[C@@H](c1nccs1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012570683 526181259 /nfs/dbraw/zinc/18/12/59/526181259.db2.gz VVAHOECCEBUWRC-SFHVURJKSA-N 0 0 428.561 5.994 50 0 IKAARN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000241383457 526184734 /nfs/dbraw/zinc/18/47/34/526184734.db2.gz MVLKWFWRFVOSGB-SCLBCKFNSA-N 0 0 448.361 5.241 50 0 IKAARN COc1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c1OC ZINC000020615953 526201599 /nfs/dbraw/zinc/20/15/99/526201599.db2.gz VZGJTNLSAGIRSD-UHFFFAOYSA-N 0 0 447.438 5.375 50 0 IKAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4cccc(C)c4)C3=O)cc2)c1 ZINC000035180822 526203024 /nfs/dbraw/zinc/20/30/24/526203024.db2.gz QLGPMGDUVPSYFP-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCCC5)n4)cc3)nc2C)c1 ZINC000033258623 526203993 /nfs/dbraw/zinc/20/39/93/526203993.db2.gz SDIUNHFBHIFHHN-UHFFFAOYSA-N 0 0 443.507 5.149 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2ccccn2)c1 ZINC000017121907 526205644 /nfs/dbraw/zinc/20/56/44/526205644.db2.gz VHPLQHRVGBZFRP-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN COc1cccc(NCc2nnc(SCc3nccn3C(F)F)n2C2CCCCC2)c1 ZINC000012530541 526209595 /nfs/dbraw/zinc/20/95/95/526209595.db2.gz OYJXCOAWLOGEEM-UHFFFAOYSA-N 0 0 448.543 5.288 50 0 IKAARN Cc1cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)n1Cc1cccs1 ZINC000012565518 526210628 /nfs/dbraw/zinc/21/06/28/526210628.db2.gz ZKQNLUFQWHYGJU-UHFFFAOYSA-N 0 0 439.552 5.592 50 0 IKAARN Cc1cc(C(=O)CSCc2cc(=O)oc3cc(C)ccc23)c(C)n1Cc1ccccc1 ZINC000012634900 526213162 /nfs/dbraw/zinc/21/31/62/526213162.db2.gz UZOBMNNVMNTWMR-UHFFFAOYSA-N 0 0 431.557 5.684 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1Cc1ccccc1 ZINC000012568836 526214327 /nfs/dbraw/zinc/21/43/27/526214327.db2.gz DNCSPMKEPDSQHG-UHFFFAOYSA-N 0 0 443.576 5.117 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCCCN1CCCC1=O)c2Sc1ccc(Cl)cc1 ZINC000020466688 526214692 /nfs/dbraw/zinc/21/46/92/526214692.db2.gz JCIFALHLZOIHPQ-UHFFFAOYSA-N 0 0 441.984 5.023 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCc1ccc(OC(C)C)cc1)c2Sc1ccccc1 ZINC000020466767 526215797 /nfs/dbraw/zinc/21/57/97/526215797.db2.gz BSMWOYCPNILRBS-UHFFFAOYSA-N 0 0 430.573 6.345 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccccc1Cl ZINC000035400644 526216679 /nfs/dbraw/zinc/21/66/79/526216679.db2.gz REVMBVVIMYBSOQ-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1c(F)cccc1Cl ZINC000035400723 526216961 /nfs/dbraw/zinc/21/69/61/526216961.db2.gz JHQGNMVHXYRBFS-UHFFFAOYSA-N 0 0 445.925 5.743 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000035400827 526217302 /nfs/dbraw/zinc/21/73/02/526217302.db2.gz VAGVLRMEAXHKRB-LJQANCHMSA-N 0 0 425.507 5.651 50 0 IKAARN Cc1ccc2c(c1)c1ncn([C@H](C)c3ccccc3)c(=O)c1n2Cc1c(F)cccc1Cl ZINC000035400700 526217780 /nfs/dbraw/zinc/21/77/80/526217780.db2.gz RNJFAFAKOMCJHC-QGZVFWFLSA-N 0 0 445.925 6.110 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1cccc(C)c1 ZINC000035400858 526218002 /nfs/dbraw/zinc/21/80/02/526218002.db2.gz KYPOBEZOTQJDKJ-UHFFFAOYSA-N 0 0 427.935 5.718 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OCC(C)C)nc3-c3cccc(F)c3)cc2)cc1 ZINC000037396549 526219659 /nfs/dbraw/zinc/21/96/59/526219659.db2.gz GSQVIXAYTFAKCB-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4cccc(C)c4)sc3c2)cc1 ZINC000033000448 526223810 /nfs/dbraw/zinc/22/38/10/526223810.db2.gz CVDRSNIFNXNCNT-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-n3nc(OCC(C)C)nc3-c3ccc(C)cc3)c2)cc1 ZINC000037385539 526224505 /nfs/dbraw/zinc/22/45/05/526224505.db2.gz SAKAJSACAXJJDH-UHFFFAOYSA-N 0 0 440.547 5.838 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N(C)c4ccccc4)sc3c2)cc1 ZINC000020894830 526224517 /nfs/dbraw/zinc/22/45/17/526224517.db2.gz JESLAUVRHNYJEI-UHFFFAOYSA-N 0 0 447.585 5.612 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)c2c1 ZINC000020940141 526232566 /nfs/dbraw/zinc/23/25/66/526232566.db2.gz KXNQFJOWVPYAFS-UHFFFAOYSA-N 0 0 445.950 5.523 50 0 IKAARN C[C@H](CC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F ZINC000252477516 526234963 /nfs/dbraw/zinc/23/49/63/526234963.db2.gz POIVXTZYQARGFW-NRXGSXMXSA-N 0 0 445.403 5.552 50 0 IKAARN Cc1ccc2cccc(OC(=O)c3cn(-c4ccccc4)nc3-c3ccc(C(C)C)cc3)c2n1 ZINC000012546850 526238958 /nfs/dbraw/zinc/23/89/58/526238958.db2.gz LKJIQIOXSXWFPD-UHFFFAOYSA-N 0 0 447.538 6.739 50 0 IKAARN COc1cccc(Oc2c(CN(C(=O)C3CCC3)C(C)C)c(C)nn2-c2ccccc2)c1 ZINC000035972748 526239780 /nfs/dbraw/zinc/23/97/80/526239780.db2.gz JNPXYLHDSQHXHD-UHFFFAOYSA-N 0 0 433.552 5.519 50 0 IKAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCc2ccccc2OC)c1 ZINC000012631090 526241060 /nfs/dbraw/zinc/24/10/60/526241060.db2.gz GHTGUEXBJVFPQK-UHFFFAOYSA-N 0 0 445.437 6.086 50 0 IKAARN COc1cccc(Oc2c(CN(CC3CC3)C(=O)NC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980348 526241399 /nfs/dbraw/zinc/24/13/99/526241399.db2.gz YQSOPARMPMZVPW-UHFFFAOYSA-N 0 0 448.567 5.218 50 0 IKAARN COc1cccc(Oc2c(CN(CC3CC3)C(=O)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980266 526241934 /nfs/dbraw/zinc/24/19/34/526241934.db2.gz MVLPUTICAYAXJP-UHFFFAOYSA-N 0 0 431.536 5.037 50 0 IKAARN Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCc3ccc(F)cc3)c2c1 ZINC000016392207 526242361 /nfs/dbraw/zinc/24/23/61/526242361.db2.gz BLRKIPIYRCXILS-UHFFFAOYSA-N 0 0 428.463 5.051 50 0 IKAARN C[C@H]1CCCCN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000000640639 526243529 /nfs/dbraw/zinc/24/35/29/526243529.db2.gz IJPLALOOISYYMS-SFTDATJTSA-N 0 0 448.611 6.090 50 0 IKAARN Cc1ccc2nc(NC(=O)CSc3ccc4nc(-c5ccccc5)cn4n3)sc2c1 ZINC000017122131 526253106 /nfs/dbraw/zinc/25/31/06/526253106.db2.gz POWRXQVBWGZTTL-UHFFFAOYSA-N 0 0 431.546 5.045 50 0 IKAARN Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 ZINC000001068274 526256289 /nfs/dbraw/zinc/25/62/89/526256289.db2.gz AVPSKNXTBKFMEL-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000020731128 526257910 /nfs/dbraw/zinc/25/79/10/526257910.db2.gz LVVDXTGRKMFDRK-YWZLYKJASA-N 0 0 427.470 6.306 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725025 526258294 /nfs/dbraw/zinc/25/82/94/526258294.db2.gz SIZARVKKIMZYHG-KXBFYZLASA-N 0 0 444.522 6.713 50 0 IKAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccc(F)cc3)c2c1 ZINC000022574417 526258924 /nfs/dbraw/zinc/25/89/24/526258924.db2.gz SXFYNFRTBVWPBE-UHFFFAOYSA-N 0 0 440.927 5.781 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021161993 526261670 /nfs/dbraw/zinc/26/16/70/526261670.db2.gz QKLFCQZCEIIPEH-WMZHIEFXSA-N 0 0 448.586 5.135 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)CN1c2cc(C(C)(C)C)ccc2O/C(=C\c2ccccc2)C1=O ZINC000020727501 526261777 /nfs/dbraw/zinc/26/17/77/526261777.db2.gz DMOJFIRTXGGCQE-QRBOWQGPSA-N 0 0 446.591 5.446 50 0 IKAARN FC(F)n1c(CSc2nnc(-c3cccnc3)n2Cc2ccco2)nc2ccccc21 ZINC000012735072 526269982 /nfs/dbraw/zinc/26/99/82/526269982.db2.gz IXCJUVRQHOXWIQ-UHFFFAOYSA-N 0 0 438.463 5.019 50 0 IKAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020557576 526279235 /nfs/dbraw/zinc/27/92/35/526279235.db2.gz HCMPHUOEZNOEOV-UHFFFAOYSA-N 0 0 431.026 5.217 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc12 ZINC000012754303 526291080 /nfs/dbraw/zinc/29/10/80/526291080.db2.gz VFDWNTSSONLAFX-UHFFFAOYSA-N 0 0 449.967 5.256 50 0 IKAARN Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(=O)oc1c2C ZINC000012892682 526291599 /nfs/dbraw/zinc/29/15/99/526291599.db2.gz NNKJRNLHPABJAA-HNNXBMFYSA-N 0 0 442.515 5.236 50 0 biogenic IKAARN O=C(C1CCCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013126625 526295778 /nfs/dbraw/zinc/29/57/78/526295778.db2.gz WWZWIGZHSKBNJC-QGZVFWFLSA-N 0 0 435.387 5.275 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000020604293 526295766 /nfs/dbraw/zinc/29/57/66/526295766.db2.gz SAGOURPUPWJAEE-UHFFFAOYSA-N 0 0 425.498 6.275 50 0 IKAARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000013805519 526296340 /nfs/dbraw/zinc/29/63/40/526296340.db2.gz SCDIEBCNBUCDOC-IBGZPJMESA-N 0 0 428.355 5.427 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012640568 526296547 /nfs/dbraw/zinc/29/65/47/526296547.db2.gz SHDOLWPAXOPGLA-UHFFFAOYSA-N 0 0 438.962 6.926 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000020603075 526296561 /nfs/dbraw/zinc/29/65/61/526296561.db2.gz TWCGZMIYHZGDSX-UHFFFAOYSA-N 0 0 428.280 6.155 50 0 IKAARN O=C(C1CCCCC1)N(Cc1cccc(OCCc2ccsc2)c1)C[C@@H]1CCCO1 ZINC000012245374 526298960 /nfs/dbraw/zinc/29/89/60/526298960.db2.gz XXAZBGGXQHIFRY-DEOSSOPVSA-N 0 0 427.610 5.458 50 0 IKAARN Cc1nn([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2c3ccccc3sc21 ZINC000020466940 526301621 /nfs/dbraw/zinc/30/16/21/526301621.db2.gz YSQNBWSGKUNEKL-LBPRGKRZSA-N 0 0 431.439 5.138 50 0 IKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000012926161 526308292 /nfs/dbraw/zinc/30/82/92/526308292.db2.gz PZFBWVCLPCVFIA-DEOSSOPVSA-N 0 0 437.543 5.219 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3Cl)c2C(F)(F)F)c1-c1ccccc1 ZINC000033039938 526312339 /nfs/dbraw/zinc/31/23/39/526312339.db2.gz HVKBUOMJAGMOKO-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1ccc(F)cc1 ZINC000021914022 526313042 /nfs/dbraw/zinc/31/30/42/526313042.db2.gz XBBGDAILBHTGTI-UHFFFAOYSA-N 0 0 428.389 5.423 50 0 IKAARN O=C(C1c2ccccc2Oc2ccccc21)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000022893924 526313478 /nfs/dbraw/zinc/31/34/78/526313478.db2.gz MYASEOQRSYIKAD-QGZVFWFLSA-N 0 0 442.540 5.746 50 0 IKAARN Fc1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1F ZINC000012369435 526313696 /nfs/dbraw/zinc/31/36/96/526313696.db2.gz IVSOVSCKTCFHDJ-UHFFFAOYSA-N 0 0 434.389 6.961 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000020728794 526315798 /nfs/dbraw/zinc/31/57/98/526315798.db2.gz SFIBQLYXMTZYER-NRFANRHFSA-N 0 0 427.863 5.107 50 0 IKAARN Fc1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000022529038 526316665 /nfs/dbraw/zinc/31/66/65/526316665.db2.gz BWVSAXYZXSXSOH-UHFFFAOYSA-N 0 0 449.913 7.261 50 0 IKAARN Fc1ccc(-c2noc(CSc3ccc(-c4cccc(Br)c4)nn3)n2)cc1 ZINC000033262451 526319612 /nfs/dbraw/zinc/31/96/12/526319612.db2.gz JZNNOEDJYAIIJR-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN Fc1ccc(-n2c(SCc3ccc(-c4ccccc4)cc3)nnc2-c2ccncc2)cc1 ZINC000012772452 526319689 /nfs/dbraw/zinc/31/96/89/526319689.db2.gz HHNXQQUPFWJNEV-UHFFFAOYSA-N 0 0 438.531 6.428 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000012861313 526336093 /nfs/dbraw/zinc/33/60/93/526336093.db2.gz ZDASJHBLLTZRMG-UHFFFAOYSA-N 0 0 446.576 5.309 50 0 IKAARN Fc1ccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Br)cc2)cc1 ZINC000021777249 526338680 /nfs/dbraw/zinc/33/86/80/526338680.db2.gz SHKLHVGUTCSTEZ-HXUWFJFHSA-N 0 0 438.300 5.517 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000035839994 526344433 /nfs/dbraw/zinc/34/44/33/526344433.db2.gz WYSGUKGUMMSIMD-UHFFFAOYSA-N 0 0 437.393 6.117 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000035840273 526344850 /nfs/dbraw/zinc/34/48/50/526344850.db2.gz LRSRJXPAPZAUDW-UHFFFAOYSA-N 0 0 438.286 6.405 50 0 IKAARN Fc1ccc(F)c(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035840021 526350228 /nfs/dbraw/zinc/35/02/28/526350228.db2.gz RDTRCBWCLMAHFB-UHFFFAOYSA-N 0 0 437.393 6.117 50 0 IKAARN Fc1ccc(OCc2nnc(SCc3nc4ccccc4c(-c4ccccc4)n3)o2)cc1 ZINC000012921762 526358674 /nfs/dbraw/zinc/35/86/74/526358674.db2.gz WJRHPDDNEGFEQL-UHFFFAOYSA-N 0 0 444.491 5.690 50 0 IKAARN Cc1csc(N(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2)n1 ZINC000012916330 526370699 /nfs/dbraw/zinc/37/06/99/526370699.db2.gz BYXIYBKPOLQSQI-UHFFFAOYSA-N 0 0 425.460 5.682 50 0 IKAARN O=c1nc(C(Cl)=Cc2cccc(Br)c2)[nH]c2scc(-c3cccs3)c21 ZINC000033499686 526378209 /nfs/dbraw/zinc/37/82/09/526378209.db2.gz ICGVYWSSJFCAIN-MDWZMJQESA-N 0 0 449.782 6.625 50 0 IKAARN Cc1nnc(SCC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)s1 ZINC000012768691 526378804 /nfs/dbraw/zinc/37/88/04/526378804.db2.gz MWTBJGJRBYMDLX-UHFFFAOYSA-N 0 0 448.057 5.590 50 0 IKAARN Cc1nnc(SCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)s1 ZINC000012576039 526379748 /nfs/dbraw/zinc/37/97/48/526379748.db2.gz VYVWCJLGVJLLOK-OAQYLSRUSA-N 0 0 426.611 5.126 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000012622985 526387797 /nfs/dbraw/zinc/38/77/97/526387797.db2.gz GYMBTAWABXBNGT-RUZDIDTESA-N 0 0 427.573 6.217 50 0 IKAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)n1C1CC1 ZINC000012862800 526388378 /nfs/dbraw/zinc/38/83/78/526388378.db2.gz APHPZJZTYRYHQZ-AWEZNQCLSA-N 0 0 449.605 5.241 50 0 IKAARN Fc1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)c1F ZINC000035848282 526388992 /nfs/dbraw/zinc/38/89/92/526388992.db2.gz IMYYZDASXLDNDA-UHFFFAOYSA-N 0 0 438.286 6.405 50 0 IKAARN O=C(CCC(F)(F)F)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000012092500 526390534 /nfs/dbraw/zinc/39/05/34/526390534.db2.gz KUUBMWSWYQVGSR-HXUWFJFHSA-N 0 0 440.387 6.003 50 0 IKAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935308 526391860 /nfs/dbraw/zinc/39/18/60/526391860.db2.gz XEVFPVBNXBQNPM-UHFFFAOYSA-N 0 0 426.907 5.404 50 0 IKAARN c1c([C@@H]2CC(c3cccnc3)=NN2c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000016319523 526401450 /nfs/dbraw/zinc/40/14/50/526401450.db2.gz UTRZUNYCCDLHFI-MHZLTWQESA-N 0 0 442.526 5.685 50 0 IKAARN O=C(CCC1CCCC1)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925184 526404481 /nfs/dbraw/zinc/40/44/81/526404481.db2.gz YNBOSLGEHXPNRJ-SANMLTNESA-N 0 0 434.605 5.863 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000022633067 526404617 /nfs/dbraw/zinc/40/46/17/526404617.db2.gz RLXQAMLFGDUAEU-QGZVFWFLSA-N 0 0 432.134 5.152 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(NC(=O)N2CCCCc3ccccc32)c1 ZINC000020988181 526405203 /nfs/dbraw/zinc/40/52/03/526405203.db2.gz LOZRTJFDWPEWNK-UHFFFAOYSA-N 0 0 447.966 5.687 50 0 IKAARN O=C(CCC1CCCC1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000012375703 526405480 /nfs/dbraw/zinc/40/54/80/526405480.db2.gz RBAXOVIKLDTXNZ-UHFFFAOYSA-N 0 0 430.335 6.619 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000022633062 526405782 /nfs/dbraw/zinc/40/57/82/526405782.db2.gz RLXQAMLFGDUAEU-KRWDZBQOSA-N 0 0 432.134 5.152 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000035847803 526407647 /nfs/dbraw/zinc/40/76/47/526407647.db2.gz MGNCFZRIZQKJBL-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN Fc1ccccc1CSCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 ZINC000033021867 526412222 /nfs/dbraw/zinc/41/22/22/526412222.db2.gz FWCFUIOWVCKBQZ-UHFFFAOYSA-N 0 0 434.414 6.588 50 0 IKAARN O=C(OCC(=O)c1ccccc1Br)C(=Cc1ccc(F)cc1)c1cccs1 ZINC000034889672 526415258 /nfs/dbraw/zinc/41/52/58/526415258.db2.gz AQDQRADCKLQTSC-ATVHPVEESA-N 0 0 445.309 5.616 50 0 IKAARN Fc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020988726 526416907 /nfs/dbraw/zinc/41/69/07/526416907.db2.gz LQKLWSJOKHWVPH-QHCPKHFHSA-N 0 0 448.929 5.441 50 0 IKAARN O=C(OC[C@H]1CCC(=O)N1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000012858335 526420923 /nfs/dbraw/zinc/42/09/23/526420923.db2.gz NREJSXQJRNUTIH-LLVKDONJSA-N 0 0 449.721 5.297 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021536771 526424216 /nfs/dbraw/zinc/42/42/16/526424216.db2.gz XINSGPLFLDBIJC-SANMLTNESA-N 0 0 441.962 5.988 50 0 IKAARN O=C(OCc1cc(F)cc2c1OCOC2)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012897521 526424671 /nfs/dbraw/zinc/42/46/71/526424671.db2.gz BETLMHMTFGZPQJ-QZTJIDSGSA-N 0 0 427.497 5.319 50 0 IKAARN O=C(OCc1ccc(Cl)cc1)c1cccc(-c2nnn(Cc3ccc(Cl)cc3)n2)c1 ZINC000012428667 526425706 /nfs/dbraw/zinc/42/57/06/526425706.db2.gz ASHAYMDQASDONV-UHFFFAOYSA-N 0 0 439.302 5.052 50 0 IKAARN Ic1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000034529922 526426036 /nfs/dbraw/zinc/42/60/36/526426036.db2.gz UJEYQAFIQWSUOR-UHFFFAOYSA-N 0 0 436.296 5.328 50 0 IKAARN O=C(Oc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1)c1ccc(Cl)cc1 ZINC000022276027 526444066 /nfs/dbraw/zinc/44/40/66/526444066.db2.gz ZALIJQLIGUARTH-DEDYPNTBSA-N 0 0 438.266 5.557 50 0 IKAARN O=C(Sc1ccc(Cl)cc1)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091695183 526449262 /nfs/dbraw/zinc/44/92/62/526449262.db2.gz FXIIUTZTLSHHTB-UHFFFAOYSA-N 0 0 449.325 5.938 50 0 IKAARN O=C(CCCSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1cccs1 ZINC000012822234 526452953 /nfs/dbraw/zinc/45/29/53/526452953.db2.gz HKXQAKBGCVVGNW-UHFFFAOYSA-N 0 0 444.965 5.508 50 0 IKAARN Cc1csc2nc(CSc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n12 ZINC000020583053 526456200 /nfs/dbraw/zinc/45/62/00/526456200.db2.gz YAFBPBWYWWNTJI-UHFFFAOYSA-N 0 0 441.965 5.262 50 0 IKAARN O=C(NCCn1c2ccccc2nc1-c1ccccc1)Nc1cccc(Br)c1 ZINC000032951353 526468108 /nfs/dbraw/zinc/46/81/08/526468108.db2.gz QXAIEWMJNGIGED-UHFFFAOYSA-N 0 0 435.325 5.288 50 0 IKAARN O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccccc1-c1ccccc1 ZINC000012440900 526472541 /nfs/dbraw/zinc/47/25/41/526472541.db2.gz NDGOVNLPIINHGV-UHFFFAOYSA-N 0 0 443.934 5.650 50 0 IKAARN Cc1noc(C)c1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000035671698 526473947 /nfs/dbraw/zinc/47/39/47/526473947.db2.gz 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c1coc(-c2nc(CSc3nnc(CN4CCCCC4)n3-c3ccccc3)cs2)c1 ZINC000012527750 526561730 /nfs/dbraw/zinc/56/17/30/526561730.db2.gz UPDKNQXZHBIGRX-UHFFFAOYSA-N 0 0 437.594 5.262 50 0 IKAARN c1coc(C2=NN(c3ccccc3)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000012558290 526564382 /nfs/dbraw/zinc/56/43/82/526564382.db2.gz XLGDOQGJFPINEW-SANMLTNESA-N 0 0 430.511 6.488 50 0 IKAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000012196371 526576437 /nfs/dbraw/zinc/57/64/37/526576437.db2.gz GHFAJNITURECPT-NAKRPHOHSA-N 0 0 444.550 5.314 50 0 IKAARN O=C(c1c(F)cccc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023331562 526577612 /nfs/dbraw/zinc/57/76/12/526577612.db2.gz BCSKHYQEINQPAS-QHCPKHFHSA-N 0 0 426.894 5.166 50 0 IKAARN O=C(c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)N1CC[C@H](c2ccccc2)C1 ZINC000021915372 526579424 /nfs/dbraw/zinc/57/94/24/526579424.db2.gz DYBGEMMGHSQMOD-FQEVSTJZSA-N 0 0 439.559 5.153 50 0 IKAARN O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CCN(c2ccccc2O)CC1 ZINC000023076656 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O=C(CCc1ccccc1)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000035928214 526611404 /nfs/dbraw/zinc/61/14/04/526611404.db2.gz QHPFKIFESHYXRC-XMMPIXPASA-N 0 0 438.499 5.315 50 0 IKAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000020606919 526612218 /nfs/dbraw/zinc/61/22/18/526612218.db2.gz MTZDTBHVGYFJPC-UHFFFAOYSA-N 0 0 436.606 5.690 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(I)cc1 ZINC000012760872 526619816 /nfs/dbraw/zinc/61/98/16/526619816.db2.gz MHWNMFGNCDLHDU-UHFFFAOYSA-N 0 0 426.304 5.037 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012854856 526620049 /nfs/dbraw/zinc/62/00/49/526620049.db2.gz GNFHLCROLGHBIK-UHFFFAOYSA-N 0 0 440.377 5.198 50 0 IKAARN Cc1nc(-n2nc(C)c(Cc3ccccc3Cl)c2C)sc1C(=O)N1CCCCC1 ZINC000020893511 526627149 /nfs/dbraw/zinc/62/71/49/526627149.db2.gz JVGGQKIJEMZHHF-UHFFFAOYSA-N 0 0 428.989 5.124 50 0 IKAARN Cc1noc(CSc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)n1 ZINC000012815943 526629361 /nfs/dbraw/zinc/62/93/61/526629361.db2.gz 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O=C(NCc1ccc(-c2ccccc2)c2ccncc12)Nc1ccc(Br)cc1 ZINC000035844618 526646765 /nfs/dbraw/zinc/64/67/65/526646765.db2.gz RXAADJGDULJDOT-UHFFFAOYSA-N 0 0 432.321 5.986 50 0 IKAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)ccc1Br ZINC000012919009 526648286 /nfs/dbraw/zinc/64/82/86/526648286.db2.gz VLYVPZUGQSAMAV-UHFFFAOYSA-N 0 0 431.286 5.388 50 0 IKAARN O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1cccc2ccccc21 ZINC000021721381 526651329 /nfs/dbraw/zinc/65/13/29/526651329.db2.gz ZFLLLANCWDNFJV-UHFFFAOYSA-N 0 0 430.489 5.228 50 0 IKAARN O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000012798457 526652164 /nfs/dbraw/zinc/65/21/64/526652164.db2.gz MQWRKATZHDWWHY-UHFFFAOYSA-N 0 0 425.937 5.509 50 0 IKAARN O=C(CCc1nc2ccccc2s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021548626 526655327 /nfs/dbraw/zinc/65/53/27/526655327.db2.gz RQUOMONBFCLJDQ-UHFFFAOYSA-N 0 0 441.600 5.163 50 0 IKAARN O=C(c1ccc(Br)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000021715657 526660948 /nfs/dbraw/zinc/66/09/48/526660948.db2.gz 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O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907719 526665506 /nfs/dbraw/zinc/66/55/06/526665506.db2.gz QAXICDYNZIVDLE-OAQYLSRUSA-N 0 0 436.433 6.491 50 0 IKAARN O=C(CCn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)NCc1ccco1 ZINC000037385686 526669931 /nfs/dbraw/zinc/66/99/31/526669931.db2.gz CUTGEUZPOUITQP-UHFFFAOYSA-N 0 0 428.319 5.233 50 0 IKAARN O=C(NCc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888990 526671835 /nfs/dbraw/zinc/67/18/35/526671835.db2.gz NCVAAOUKAJDGPG-VWLOTQADSA-N 0 0 429.470 5.570 50 0 IKAARN O=C(NCc1ccc(F)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037758 526671948 /nfs/dbraw/zinc/67/19/48/526671948.db2.gz SXJPKCWQXIAXPC-FQEVSTJZSA-N 0 0 436.874 5.118 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000012368937 526676663 /nfs/dbraw/zinc/67/66/63/526676663.db2.gz VMLFBALPAZAKMN-LJQANCHMSA-N 0 0 437.870 6.088 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035816213 526678689 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Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000002685700 526728516 /nfs/dbraw/zinc/72/85/16/526728516.db2.gz SXYIILWUUNFFBP-UHFFFAOYSA-N 0 0 427.316 6.395 50 0 IKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC(Oc2ccccc2C)CC1 ZINC000012703403 526728526 /nfs/dbraw/zinc/72/85/26/526728526.db2.gz LQXUMQZMWRYEQR-UHFFFAOYSA-N 0 0 440.927 5.384 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCCC3)cc2)nc1CN1CCc2ccccc21 ZINC000021094059 526728753 /nfs/dbraw/zinc/72/87/53/526728753.db2.gz DBKQOROBZYFIKJ-UHFFFAOYSA-N 0 0 429.564 5.665 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCCCC3)cc2)nc1CN1CCc2ccccc21 ZINC000021094063 526728988 /nfs/dbraw/zinc/72/89/88/526728988.db2.gz XENKPJKVVOEVCC-UHFFFAOYSA-N 0 0 443.591 6.055 50 0 IKAARN O=C(NCc1cccc2ccccc21)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503260 526729428 /nfs/dbraw/zinc/72/94/28/526729428.db2.gz OGDMCOLHJKUOLV-UHFFFAOYSA-N 0 0 435.527 5.755 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682173 526729534 /nfs/dbraw/zinc/72/95/34/526729534.db2.gz NEGNFVKZOFKCQT-LJQANCHMSA-N 0 0 442.584 6.742 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nc1CN1CCc2ccccc21 ZINC000015785959 526729821 /nfs/dbraw/zinc/72/98/21/526729821.db2.gz UGFFZOOEPBXOQY-UHFFFAOYSA-N 0 0 441.506 5.282 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)Cc1cccc(-n2cccn2)c1 ZINC000012430841 526729833 /nfs/dbraw/zinc/72/98/33/526729833.db2.gz HZPOWYFXBOVJHX-UHFFFAOYSA-N 0 0 426.442 5.487 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000033085163 526730186 /nfs/dbraw/zinc/73/01/86/526730186.db2.gz SFYXQXFELLDXHH-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3cccs3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682205 526730266 /nfs/dbraw/zinc/73/02/66/526730266.db2.gz SBLCOQRXDDDTNA-UHFFFAOYSA-N 0 0 448.613 6.285 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000033296868 526731094 /nfs/dbraw/zinc/73/10/94/526731094.db2.gz RNZXRXYUAOSYIS-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000021658062 526731747 /nfs/dbraw/zinc/73/17/47/526731747.db2.gz XGPWOUVFFKJRQW-UHFFFAOYSA-N 0 0 429.549 5.965 50 0 IKAARN O=C(NCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888709 526733086 /nfs/dbraw/zinc/73/30/86/526733086.db2.gz QYCOABBICOPRCN-VWLOTQADSA-N 0 0 427.935 5.946 50 0 IKAARN O=C(NCc1ccccc1)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000021357816 526734515 /nfs/dbraw/zinc/73/45/15/526734515.db2.gz YEJKMVYAUKVBKM-UHFFFAOYSA-N 0 0 446.554 6.132 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000021658025 526734676 /nfs/dbraw/zinc/73/46/76/526734676.db2.gz FCHKWBQJHXKSOA-UHFFFAOYSA-N 0 0 429.549 5.965 50 0 IKAARN O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000085382169 526734910 /nfs/dbraw/zinc/73/49/10/526734910.db2.gz FHPOUOHFLMWVQY-UHFFFAOYSA-N 0 0 432.487 5.076 50 0 IKAARN O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508751 526736275 /nfs/dbraw/zinc/73/62/75/526736275.db2.gz GEYVUDKVMSZELV-DNQXCXABSA-N 0 0 430.573 5.288 50 0 IKAARN O=C(NCc1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000020508754 526737307 /nfs/dbraw/zinc/73/73/07/526737307.db2.gz GEYVUDKVMSZELV-ZEQRLZLVSA-N 0 0 430.573 5.288 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000022475323 526737605 /nfs/dbraw/zinc/73/76/05/526737605.db2.gz DVDJNIQLBCYGNO-SFHVURJKSA-N 0 0 433.533 5.014 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2)n1 ZINC000034712071 526740312 /nfs/dbraw/zinc/74/03/12/526740312.db2.gz VUHVIBKFDCFNFO-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000017136090 526741348 /nfs/dbraw/zinc/74/13/48/526741348.db2.gz JQXZHEOATQNHIY-UHFFFAOYSA-N 0 0 443.528 5.602 50 0 IKAARN O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCCC[C@H]1c1cccnc1 ZINC000012316052 526741883 /nfs/dbraw/zinc/74/18/83/526741883.db2.gz RCGLRKSXEJWXAW-DEOSSOPVSA-N 0 0 425.532 5.766 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025194 526748814 /nfs/dbraw/zinc/74/88/14/526748814.db2.gz MOTQUGVKGMVJRL-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1Oc1ccccc1 ZINC000012691949 526755080 /nfs/dbraw/zinc/75/50/80/526755080.db2.gz NTPOJASYUZGGBT-OAQYLSRUSA-N 0 0 429.545 5.864 50 0 IKAARN O=C(c1cccc(COc2ccccc2Br)c1)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC000035679128 526757763 /nfs/dbraw/zinc/75/77/63/526757763.db2.gz MSEUBFSLANQSIS-QUCCMNQESA-N 0 0 442.353 5.002 50 0 IKAARN O=C(c1cccc(COc2ccccc2Br)c1)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC000035679126 526758582 /nfs/dbraw/zinc/75/85/82/526758582.db2.gz MSEUBFSLANQSIS-ICSRJNTNSA-N 0 0 442.353 5.002 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908036 526759520 /nfs/dbraw/zinc/75/95/20/526759520.db2.gz MKRMZWADQPGVTO-OAQYLSRUSA-N 0 0 438.861 6.404 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000035979716 526763017 /nfs/dbraw/zinc/76/30/17/526763017.db2.gz YZQIKKWPCUGLRE-UHFFFAOYSA-N 0 0 432.326 5.430 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1cccc(OCCc2cccs2)c1)C[C@@H]1CCCO1 ZINC000012219000 526763554 /nfs/dbraw/zinc/76/35/54/526763554.db2.gz IJBHEZAZMBDNTL-QHCPKHFHSA-N 0 0 439.552 5.330 50 0 IKAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1cccc(C)c1 ZINC000021782898 526767527 /nfs/dbraw/zinc/76/75/27/526767527.db2.gz PHVGVWDRIYUBRZ-UHFFFAOYSA-N 0 0 428.440 5.333 50 0 IKAARN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000021209030 526777965 /nfs/dbraw/zinc/77/79/65/526777965.db2.gz GWCZUYIMLWBFBK-UHFFFAOYSA-N 0 0 428.492 5.214 50 0 IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4nccs4)c(C)c3cc2c1-c1ccccc1 ZINC000012892460 526780354 /nfs/dbraw/zinc/78/03/54/526780354.db2.gz FRSWLAYCCQDCAX-UHFFFAOYSA-N 0 0 444.512 5.851 50 0 biogenic IKAARN O=C(c1cccc2c1C(=O)c1cc(Cl)ccc1-2)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000012578588 526780650 /nfs/dbraw/zinc/78/06/50/526780650.db2.gz IMTLYRUDOKADOC-UHFFFAOYSA-N 0 0 445.946 5.009 50 0 IKAARN O=C(NCc1ccncc1)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712822 526794063 /nfs/dbraw/zinc/79/40/63/526794063.db2.gz ZNTDAZSEUSAUJG-UHFFFAOYSA-N 0 0 435.936 5.368 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)o1 ZINC000021171676 526797434 /nfs/dbraw/zinc/79/74/34/526797434.db2.gz LINDDPAMKZXBDQ-LJQANCHMSA-N 0 0 448.504 5.009 50 0 IKAARN O=C(c1ccccc1OC1CCN(Cc2ccc(Cl)c(F)c2)CC1)N1CCCCC1 ZINC000012759339 526810552 /nfs/dbraw/zinc/81/05/52/526810552.db2.gz FWSQWJUVLUMLOZ-UHFFFAOYSA-N 0 0 430.951 5.149 50 0 IKAARN O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000012600860 526819158 /nfs/dbraw/zinc/81/91/58/526819158.db2.gz ZXXATUVQVXOJBR-AVMYOTTBSA-N 0 0 429.470 5.797 50 0 IKAARN O=C(c1cccs1)N1CCC[C@H]1c1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2o1 ZINC000034907864 526836751 /nfs/dbraw/zinc/83/67/51/526836751.db2.gz FQOKOKWJJAOTDV-SFHVURJKSA-N 0 0 442.462 6.552 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(Nc2ccccc2C)CC1 ZINC000065475629 526841872 /nfs/dbraw/zinc/84/18/72/526841872.db2.gz DCDWZXUHVYTQGD-UHFFFAOYSA-N 0 0 427.907 5.468 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000001003150 526843564 /nfs/dbraw/zinc/84/35/64/526843564.db2.gz MVXBIKPLWCGISL-UHFFFAOYSA-N 0 0 448.325 5.367 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000001113953 526844441 /nfs/dbraw/zinc/84/44/41/526844441.db2.gz FBHSGVSCDBBWIV-OAHLLOKOSA-N 0 0 427.907 5.102 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc(-c2ccc(Cl)cc2)on1 ZINC000012725790 526850634 /nfs/dbraw/zinc/85/06/34/526850634.db2.gz NCUHLQZIHVJKFP-UHFFFAOYSA-N 0 0 429.259 5.969 50 0 IKAARN Cc1sc(-c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)nc1-c1ccc(Cl)cc1 ZINC000020850998 526861897 /nfs/dbraw/zinc/86/18/97/526861897.db2.gz OYCOYPSOQPRVNI-CQSZACIVSA-N 0 0 436.920 5.633 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1ccccc1Cl ZINC000035538373 526865050 /nfs/dbraw/zinc/86/50/50/526865050.db2.gz XXSGTUOKUCXWTE-FQEVSTJZSA-N 0 0 438.314 5.757 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@H](c1cccc(F)c1)C2 ZINC000034898513 526865573 /nfs/dbraw/zinc/86/55/73/526865573.db2.gz KKWWAEWHHDGSRH-ZCYQVOJMSA-N 0 0 439.534 5.466 50 0 IKAARN Cc1sc(C)c(S(=O)(=O)N(C)c2ccc(C)cc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299388 526875544 /nfs/dbraw/zinc/87/55/44/526875544.db2.gz WTCWCHRAGFSDKQ-UHFFFAOYSA-N 0 0 430.473 5.172 50 0 IKAARN O=C(c1cnc2ccccc2n1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000021908417 526876608 /nfs/dbraw/zinc/87/66/08/526876608.db2.gz ZWFYTGWJRVBEEV-UHFFFAOYSA-N 0 0 436.540 5.643 50 0 IKAARN Cc1sc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)nc1-c1ccccc1 ZINC000012372661 526878999 /nfs/dbraw/zinc/87/89/99/526878999.db2.gz UAPGKQWVGSNHJI-UHFFFAOYSA-N 0 0 439.584 5.748 50 0 IKAARN Cc1sc(NC(=O)COc2ccc(Cl)cc2Cl)nc1-c1ccc(C)c(Cl)c1 ZINC000012340567 526882232 /nfs/dbraw/zinc/88/22/32/526882232.db2.gz IRIAXXJOLYWVDX-UHFFFAOYSA-N 0 0 441.767 6.405 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2nc(C)cc(C)n2)c2ccccn2)c1C ZINC000035476989 526885074 /nfs/dbraw/zinc/88/50/74/526885074.db2.gz DNGPTIZEXLBPBQ-JOCHJYFZSA-N 0 0 443.576 5.621 50 0 IKAARN Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)N2 ZINC000016157468 526887304 /nfs/dbraw/zinc/88/73/04/526887304.db2.gz CJRJVPYPQSJNOE-OAQYLSRUSA-N 0 0 434.561 5.736 50 0 IKAARN Cc1sc2nc(C3CC3)nc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)c2c1C ZINC000035866655 526890807 /nfs/dbraw/zinc/89/08/07/526890807.db2.gz CNHCADJFJSLIQD-UHFFFAOYSA-N 0 0 448.636 5.445 50 0 IKAARN Cc1sc2nc(CN3CCCCC3)nc(N[C@H](c3nccn3C)c3ccccc3)c2c1C ZINC000012628225 526890942 /nfs/dbraw/zinc/89/09/42/526890942.db2.gz CDDVTHZYIOSZOS-QFIPXVFZSA-N 0 0 446.624 5.229 50 0 IKAARN Cc1sc2nc(CN3CCCC3)nc(SCc3nc(-c4cccs4)no3)c2c1C ZINC000040067217 526891189 /nfs/dbraw/zinc/89/11/89/526891189.db2.gz GRMCAZKPRFKRPV-UHFFFAOYSA-N 0 0 443.623 5.308 50 0 IKAARN Cc1sc2nc(Cc3ccccc3)nc(N3CCN(C(=O)C4CCCCC4)CC3)c2c1C ZINC000035866841 526894751 /nfs/dbraw/zinc/89/47/51/526894751.db2.gz WANPOCOUXZFDIA-UHFFFAOYSA-N 0 0 448.636 5.128 50 0 IKAARN O=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012609867 526897584 /nfs/dbraw/zinc/89/75/84/526897584.db2.gz OBAYFEMJMJMAFI-UHFFFAOYSA-N 0 0 427.460 5.375 50 0 IKAARN Cc1sc2ncnc(N3CCC(C(=O)N(C)c4cc(Cl)ccc4Cl)CC3)c2c1C ZINC000048374090 526899448 /nfs/dbraw/zinc/89/94/48/526899448.db2.gz QCMFJUGODUJMNB-UHFFFAOYSA-N 0 0 449.407 5.494 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(Br)c(F)c1 ZINC000033312596 526900024 /nfs/dbraw/zinc/90/00/24/526900024.db2.gz JASWLZIDMBDFKJ-UHFFFAOYSA-N 0 0 449.349 5.144 50 0 IKAARN Cc1scc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)c1C ZINC000017095338 526902286 /nfs/dbraw/zinc/90/22/86/526902286.db2.gz BBTYGNCOSSELGH-UHFFFAOYSA-N 0 0 427.382 5.198 50 0 IKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012622626 526905417 /nfs/dbraw/zinc/90/54/17/526905417.db2.gz VIAJAZSMLVHDPY-GOSISDBHSA-N 0 0 428.554 5.445 50 0 IKAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012883933 526905929 /nfs/dbraw/zinc/90/59/29/526905929.db2.gz WNNQJZANZAMBES-UHFFFAOYSA-N 0 0 443.824 5.492 50 0 IKAARN O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(Cl)cc1Cl ZINC000012619745 526906298 /nfs/dbraw/zinc/90/62/98/526906298.db2.gz VJNKDQNELWDCCQ-PHBHNISSSA-N 0 0 443.370 6.258 50 0 IKAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000021149973 526907497 /nfs/dbraw/zinc/90/74/97/526907497.db2.gz XACARCDLLAZBSI-UHFFFAOYSA-N 0 0 433.986 5.580 50 0 IKAARN Cc1nc(COc2ccccc2/C=C/C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cs1 ZINC000012754707 526910029 /nfs/dbraw/zinc/91/00/29/526910029.db2.gz KSNKFYJYNQLBAN-ZPHJMFTNSA-N 0 0 444.560 5.107 50 0 IKAARN Cc1nc(COc2ccccc2C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cs1 ZINC000012774140 526911771 /nfs/dbraw/zinc/91/17/71/526911771.db2.gz RRYYWGODZUNCDL-SFHVURJKSA-N 0 0 430.982 5.651 50 0 IKAARN O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1cc(F)ccc1F ZINC000012901982 526912848 /nfs/dbraw/zinc/91/28/48/526912848.db2.gz AZKHUOZFCRODLV-UHFFFAOYSA-N 0 0 425.309 5.039 50 0 IKAARN Cc1nc(CSc2nnc(Cc3cccc4ccccc43)n2-c2ccccc2)cs1 ZINC000012463246 526916828 /nfs/dbraw/zinc/91/68/28/526916828.db2.gz WAWRWUWDGGTZPQ-UHFFFAOYSA-N 0 0 428.586 6.069 50 0 IKAARN O=C(c1scc2c1CCCC2)N1CCC[C@H](c2ncncc2-c2ccccc2Cl)C1 ZINC000015000021 526932797 /nfs/dbraw/zinc/93/27/97/526932797.db2.gz ADOUAEJAQIHUDV-INIZCTEOSA-N 0 0 437.996 5.757 50 0 IKAARN Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000012429110 526942710 /nfs/dbraw/zinc/94/27/10/526942710.db2.gz LYBCYNGOTCPQNE-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN O=C(COc1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000011914475 526946258 /nfs/dbraw/zinc/94/62/58/526946258.db2.gz MJLORMJPBBQPIB-UHFFFAOYSA-N 0 0 431.717 5.110 50 0 IKAARN Clc1ccc(COc2ccc(Br)cc2CNCc2ccco2)cc1Cl ZINC000040739805 526951249 /nfs/dbraw/zinc/95/12/49/526951249.db2.gz ICMFGJYRDCZTLH-UHFFFAOYSA-N 0 0 441.152 6.218 50 0 IKAARN Clc1ccc(COc2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000012360398 526951502 /nfs/dbraw/zinc/95/15/02/526951502.db2.gz CVPVEXKIMQIQLS-XYOKQWHBSA-N 0 0 441.745 7.339 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035816243 526952995 /nfs/dbraw/zinc/95/29/95/526952995.db2.gz USCDUIYOVQPITB-DEOSSOPVSA-N 0 0 439.964 5.572 50 0 IKAARN Clc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035840228 526953039 /nfs/dbraw/zinc/95/30/39/526953039.db2.gz JXRDUGCHQPFSKD-UHFFFAOYSA-N 0 0 436.751 6.780 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)c(Cl)c1 ZINC000012192321 526962742 /nfs/dbraw/zinc/96/27/42/526962742.db2.gz DXNNSHORKDCYCN-AHWVRZQESA-N 0 0 445.349 7.389 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)c(Cl)c1 ZINC000012192329 526962845 /nfs/dbraw/zinc/96/28/45/526962845.db2.gz DXNNSHORKDCYCN-RSXGOPAZSA-N 0 0 445.349 7.389 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000012194420 526963400 /nfs/dbraw/zinc/96/34/00/526963400.db2.gz IDRFIYHBCPGZLG-PXNSSMCTSA-N 0 0 429.701 5.938 50 0 IKAARN Clc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000001866482 526964020 /nfs/dbraw/zinc/96/40/20/526964020.db2.gz NVSYNUYQTFMLGH-XZOQPEGZSA-N 0 0 447.325 5.798 50 0 IKAARN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012751201 526964954 /nfs/dbraw/zinc/96/49/54/526964954.db2.gz IFEJGMDAOASLLD-HSZRJFAPSA-N 0 0 444.556 5.618 50 0 IKAARN Clc1ccc2c(c1)nccc2Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000012553479 526967223 /nfs/dbraw/zinc/96/72/23/526967223.db2.gz WALJLTPABKCCHH-AWEZNQCLSA-N 0 0 428.970 5.538 50 0 IKAARN Clc1ccc2c(c1)nc(CNc1ccc(N3CCOCC3)cc1)n2Cc1ccccc1 ZINC000001019586 526968327 /nfs/dbraw/zinc/96/83/27/526968327.db2.gz CLBHVLMIAAKIFY-UHFFFAOYSA-N 0 0 432.955 5.187 50 0 IKAARN Clc1ccc2c3nnc(Cc4ccccc4)n3c(N3CCc4ccccc4C3)nc2c1 ZINC000034699465 526968858 /nfs/dbraw/zinc/96/88/58/526968858.db2.gz KBRUIRUQGOAKOP-UHFFFAOYSA-N 0 0 425.923 5.084 50 0 IKAARN Clc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)cc(-c3ccccc3)c2c1 ZINC000022386281 526968927 /nfs/dbraw/zinc/96/89/27/526968927.db2.gz MFPFJGDDWNBJLL-UHFFFAOYSA-N 0 0 434.370 6.535 50 0 IKAARN Clc1cccc(-c2nnc(-c3nc4ccccc4c(NCCC4=CCCCC4)n3)o2)c1 ZINC000035560942 526973334 /nfs/dbraw/zinc/97/33/34/526973334.db2.gz WSJZLOOBZOSXHT-UHFFFAOYSA-N 0 0 431.927 6.303 50 0 IKAARN O=C(COc1cccc(C(F)(F)F)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000015981389 526974214 /nfs/dbraw/zinc/97/42/14/526974214.db2.gz MPRFDRZXBKVEFY-IBGZPJMESA-N 0 0 448.828 5.709 50 0 IKAARN Cc1nc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(Cl)cc1Cl ZINC000036772858 526978076 /nfs/dbraw/zinc/97/80/76/526978076.db2.gz BEYISVQAEIELHJ-UHFFFAOYSA-N 0 0 443.406 5.404 50 0 IKAARN O=C1CCCc2cc(S(=O)(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)ccc2N1 ZINC000021146675 526984736 /nfs/dbraw/zinc/98/47/36/526984736.db2.gz AGFGHELIBHHWRM-UHFFFAOYSA-N 0 0 442.924 5.208 50 0 IKAARN Clc1ccccc1-c1nnc(Cc2cc(Br)sc2Br)o1 ZINC000012369700 526985159 /nfs/dbraw/zinc/98/51/59/526985159.db2.gz 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O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1 ZINC000012691105 527008240 /nfs/dbraw/zinc/00/82/40/527008240.db2.gz SHXBNOBHYWWLPJ-LJQANCHMSA-N 0 0 432.264 5.570 50 0 IKAARN O=C(CSC1=NCCS1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000012311597 527011433 /nfs/dbraw/zinc/01/14/33/527011433.db2.gz CYBATTCXCYOWCP-JOCHJYFZSA-N 0 0 431.586 5.354 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000021096100 527012415 /nfs/dbraw/zinc/01/24/15/527012415.db2.gz XBSNVOSKSAYTED-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN Cc1nc(SC(F)F)nc(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000012599221 527014287 /nfs/dbraw/zinc/01/42/87/527014287.db2.gz GZYCSVZKSSUHGW-LLVKDONJSA-N 0 0 434.339 5.525 50 0 IKAARN O=C1CS[C@H](c2ccccc2)N1c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 ZINC000012376189 527016332 /nfs/dbraw/zinc/01/63/32/527016332.db2.gz KPUHMRRRHRPGQM-PSWAGMNNSA-N 0 0 432.570 5.244 50 0 IKAARN O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccccc1Oc1ccccc1 ZINC000017198346 527016520 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O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)N1CCCCCC1 ZINC000017200821 527074704 /nfs/dbraw/zinc/07/47/04/527074704.db2.gz HHNOXQZOEASWRW-UHFFFAOYSA-N 0 0 449.555 5.049 50 0 IKAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000015018887 527075292 /nfs/dbraw/zinc/07/52/92/527075292.db2.gz RHOUZSMTZKUGAK-UHFFFAOYSA-N 0 0 444.491 5.550 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N1CCC[C@@H]1c1cccs1 ZINC000021845936 527075304 /nfs/dbraw/zinc/07/53/04/527075304.db2.gz IURLKYFIQJZDJG-QGZVFWFLSA-N 0 0 437.615 5.876 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccccc1Oc1ccccc1 ZINC000012555820 527075317 /nfs/dbraw/zinc/07/53/17/527075317.db2.gz IUDYGRRDKUPCDE-UHFFFAOYSA-N 0 0 447.585 6.093 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@@H]1CCCc2ccccc21 ZINC000015910558 527075422 /nfs/dbraw/zinc/07/54/22/527075422.db2.gz GEQUCKYWMAGPGP-HXUWFJFHSA-N 0 0 431.586 5.644 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1c[nH]c2ccccc12 ZINC000012538223 527077365 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IKAARN O=C(Cc1ccccc1)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925174 527283925 /nfs/dbraw/zinc/28/39/25/527283925.db2.gz YQQAHYZBDUJMAX-SANMLTNESA-N 0 0 428.557 5.135 50 0 IKAARN Cn1cc([C@@H](CC(=O)N2CCOCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035372034 527293061 /nfs/dbraw/zinc/29/30/61/527293061.db2.gz SHIUXQRVCJUVOA-VWLOTQADSA-N 0 0 440.543 5.351 50 0 IKAARN Cn1cc([C@@H](CC(=O)NCc2ccccn2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891795 527293323 /nfs/dbraw/zinc/29/33/23/527293323.db2.gz XFXSSHAYOPFTHN-NRFANRHFSA-N 0 0 437.465 5.431 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012419509 527296449 /nfs/dbraw/zinc/29/64/49/527296449.db2.gz VTDKCSQKVNBQJZ-UHFFFAOYSA-N 0 0 432.860 5.172 50 0 IKAARN O=S(=O)(c1nc(-c2cccs2)oc1NCc1ccccc1)c1ccc(Cl)cc1 ZINC000012637070 527296773 /nfs/dbraw/zinc/29/67/73/527296773.db2.gz UDWUNORYBKJGQO-UHFFFAOYSA-N 0 0 430.938 5.501 50 0 IKAARN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc2c(c1)OCCO2 ZINC000022215999 527305061 /nfs/dbraw/zinc/30/50/61/527305061.db2.gz IRXXTZIKBPYGMZ-UHFFFAOYSA-N 0 0 441.270 5.825 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccc(Br)cc1 ZINC000009660236 527306715 /nfs/dbraw/zinc/30/67/15/527306715.db2.gz ZRUOEOGEYVDSAL-UHFFFAOYSA-N 0 0 438.252 5.614 50 0 IKAARN O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1ccc2ccccc2c1 ZINC000012237545 527308693 /nfs/dbraw/zinc/30/86/93/527308693.db2.gz BOWFMQUZKKDTBR-UHFFFAOYSA-N 0 0 442.482 5.259 50 0 IKAARN Cn1cc([C@H](CC(=O)N2CCCC2)c2cccc(OCc3ccccc3)c2)c2ccccc21 ZINC000035471508 527312388 /nfs/dbraw/zinc/31/23/88/527312388.db2.gz ZESOSVWCPJLTOR-AREMUKBSSA-N 0 0 438.571 5.902 50 0 IKAARN Cn1cc([C@H](CC(=O)N2CCOCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035372036 527312881 /nfs/dbraw/zinc/31/28/81/527312881.db2.gz SHIUXQRVCJUVOA-RUZDIDTESA-N 0 0 440.543 5.351 50 0 IKAARN Cn1cc([C@H](CNC(=O)Nc2cccc(Br)c2)c2cccnc2)c2ccccc21 ZINC000033267866 527312907 /nfs/dbraw/zinc/31/29/07/527312907.db2.gz GGEKKFHQUNVHEK-HXUWFJFHSA-N 0 0 449.352 5.289 50 0 IKAARN O=S1(=O)N=C(SCc2ccc(Cl)cc2)N(Cc2ccccc2)c2ccccc21 ZINC000021117537 527315710 /nfs/dbraw/zinc/31/57/10/527315710.db2.gz SWGHQMNYLYLZLL-UHFFFAOYSA-N 0 0 428.966 5.338 50 0 IKAARN O=C(Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1)c1nsc2ccccc21 ZINC000035447579 527328398 /nfs/dbraw/zinc/32/83/98/527328398.db2.gz WSVPYENUHXSZGB-UHFFFAOYSA-N 0 0 440.528 5.002 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000015869302 527330974 /nfs/dbraw/zinc/33/09/74/527330974.db2.gz CTZLTRWLQFFRHV-UHFFFAOYSA-N 0 0 442.372 6.206 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000012369154 527331820 /nfs/dbraw/zinc/33/18/20/527331820.db2.gz WHVZCYUTAJHBMM-UHFFFAOYSA-N 0 0 433.735 6.890 50 0 IKAARN O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000012529319 527332450 /nfs/dbraw/zinc/33/24/50/527332450.db2.gz UNDSEXBYPIFMPE-VWLOTQADSA-N 0 0 435.527 5.441 50 0 IKAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000012791090 527333355 /nfs/dbraw/zinc/33/33/55/527333355.db2.gz LPZZAIKVUXPKLC-UHFFFAOYSA-N 0 0 426.847 5.586 50 0 IKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000012882272 527333956 /nfs/dbraw/zinc/33/39/56/527333956.db2.gz LIXIUPOOWUOZST-UHFFFAOYSA-N 0 0 443.359 5.543 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709457 527335198 /nfs/dbraw/zinc/33/51/98/527335198.db2.gz QNLCTZLYZOJZAD-QHCPKHFHSA-N 0 0 430.554 6.066 50 0 IKAARN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000036760467 527337223 /nfs/dbraw/zinc/33/72/23/527337223.db2.gz LKONQRGYDHQICQ-UHFFFAOYSA-N 0 0 449.359 5.383 50 0 IKAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000012572963 527342875 /nfs/dbraw/zinc/34/28/75/527342875.db2.gz JKNHQPORZNMTDJ-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000001100763 527343286 /nfs/dbraw/zinc/34/32/86/527343286.db2.gz YXHVKYMLCHCLOX-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000012849380 527343338 /nfs/dbraw/zinc/34/33/38/527343338.db2.gz XOILJQPCBYZIHR-SWLSCSKDSA-N 0 0 426.851 5.511 50 0 IKAARN O=C(Cc1nnc(SCc2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000032953974 527344391 /nfs/dbraw/zinc/34/43/91/527344391.db2.gz SKPDWIITAQECAI-UHFFFAOYSA-N 0 0 434.952 5.394 50 0 IKAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020531997 527348851 /nfs/dbraw/zinc/34/88/51/527348851.db2.gz ZYQSZDJRIPPJTJ-UHFFFAOYSA-N 0 0 435.980 5.372 50 0 IKAARN O=C(Nc1cccc(F)c1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162939 527349172 /nfs/dbraw/zinc/34/91/72/527349172.db2.gz SNQVQOVDTKWQDI-UHFFFAOYSA-N 0 0 446.501 5.218 50 0 IKAARN O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908726 527350134 /nfs/dbraw/zinc/35/01/34/527350134.db2.gz LUVFNTXVQAELNN-OAQYLSRUSA-N 0 0 437.421 6.281 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)OCc1ccccc1 ZINC000037545114 527359593 /nfs/dbraw/zinc/35/95/93/527359593.db2.gz NJXIUNDMRIAVAL-UHFFFAOYSA-N 0 0 433.483 5.407 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000012781132 527361532 /nfs/dbraw/zinc/36/15/32/527361532.db2.gz FDAUVATTYJRRBE-UHFFFAOYSA-N 0 0 430.420 5.021 50 0 IKAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccsc1 ZINC000022593870 527371945 /nfs/dbraw/zinc/37/19/45/527371945.db2.gz KYJIGKQUOYLLSE-UHFFFAOYSA-N 0 0 440.518 5.116 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1)c1cccs1 ZINC000035927048 527372164 /nfs/dbraw/zinc/37/21/64/527372164.db2.gz RZOBLJBQSRCGNZ-FQEVSTJZSA-N 0 0 448.491 5.798 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)c1cccc2ccccc21 ZINC000035927318 527372731 /nfs/dbraw/zinc/37/27/31/527372731.db2.gz KTFXRMALUOKWHQ-SANMLTNESA-N 0 0 442.515 6.010 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1)c1cccc(Cl)c1 ZINC000035910126 527373532 /nfs/dbraw/zinc/37/35/32/527373532.db2.gz ZFDNCFKFUYMBNZ-JOCHJYFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1)Nc1ccc(F)cc1F ZINC000035910208 527374095 /nfs/dbraw/zinc/37/40/95/527374095.db2.gz WKXOXAONPHNVIV-OAQYLSRUSA-N 0 0 443.450 5.527 50 0 IKAARN O=C(Nc1cccc2ccccc21)N1CCS[C@@H]1c1ccccc1OCc1ccccc1 ZINC000035254854 527383099 /nfs/dbraw/zinc/38/30/99/527383099.db2.gz GSBDFOKDXXVXHV-AREMUKBSSA-N 0 0 440.568 6.698 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1 ZINC000016957135 527384435 /nfs/dbraw/zinc/38/44/35/527384435.db2.gz ZQWFOXSVWCJMRQ-QFIPXVFZSA-N 0 0 442.515 5.297 50 0 IKAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000012676789 527391177 /nfs/dbraw/zinc/39/11/77/527391177.db2.gz VCTMEEMXUUAWFO-UHFFFAOYSA-N 0 0 448.950 5.410 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)c1 ZINC000037545347 527394837 /nfs/dbraw/zinc/39/48/37/527394837.db2.gz SPLHUALTLGIHOK-UHFFFAOYSA-N 0 0 436.462 5.441 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CN[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000012787773 527398284 /nfs/dbraw/zinc/39/82/84/527398284.db2.gz NATFDPBBSVPDLV-MUUNZHRXSA-N 0 0 432.523 6.564 50 0 IKAARN O=C(Nc1ccccc1)c1nc(SCc2ccccc2F)ncc1Sc1ccccc1 ZINC000015860688 527400467 /nfs/dbraw/zinc/40/04/67/527400467.db2.gz YLGZVCYVPDEVDK-UHFFFAOYSA-N 0 0 447.560 6.312 50 0 IKAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000022535620 527400840 /nfs/dbraw/zinc/40/08/40/527400840.db2.gz HCIYLLRQFAESGO-ATVHPVEESA-N 0 0 425.872 5.926 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(Br)ccc1Cl ZINC000012627677 527403799 /nfs/dbraw/zinc/40/37/99/527403799.db2.gz QMPZFFDMIZXWHU-UHFFFAOYSA-N 0 0 426.701 5.898 50 0 IKAARN O=C(Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12)c1nsc2ccccc21 ZINC000035447689 527409204 /nfs/dbraw/zinc/40/92/04/527409204.db2.gz CZHPEBXQDSGPNO-UHFFFAOYSA-N 0 0 440.528 5.002 50 0 IKAARN O=C(Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1 ZINC000012375350 527409213 /nfs/dbraw/zinc/40/92/13/527409213.db2.gz LFLGCLKWDYUYLM-UHFFFAOYSA-N 0 0 442.481 5.656 50 0 IKAARN O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000012484798 527413689 /nfs/dbraw/zinc/41/36/89/527413689.db2.gz LKMRTPWSSZNMFF-UHFFFAOYSA-N 0 0 430.511 5.977 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024442631 527415226 /nfs/dbraw/zinc/41/52/26/527415226.db2.gz WBLYQEGLZYBOAU-UHFFFAOYSA-N 0 0 446.506 5.326 50 0 IKAARN O=C(Nc1ccccc1Cl)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009391 527416916 /nfs/dbraw/zinc/41/69/16/527416916.db2.gz CYGWRPRPYJZZFR-UHFFFAOYSA-N 0 0 434.927 5.837 50 0 IKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892367 527419715 /nfs/dbraw/zinc/41/97/15/527419715.db2.gz OCEPRUXNLFPBLP-XMMPIXPASA-N 0 0 433.433 6.032 50 0 IKAARN O=C(Nc1ccccc1F)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020714338 527421724 /nfs/dbraw/zinc/42/17/24/527421724.db2.gz OZTOVRQSWUKJQZ-DEOSSOPVSA-N 0 0 428.507 5.517 50 0 IKAARN O=C(Nc1ccccc1F)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020714341 527423307 /nfs/dbraw/zinc/42/33/07/527423307.db2.gz OZTOVRQSWUKJQZ-XMMPIXPASA-N 0 0 428.507 5.517 50 0 IKAARN Nc1c(-c2nc(-c3ccc(F)cc3)cs2)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000020441857 527423980 /nfs/dbraw/zinc/42/39/80/527423980.db2.gz ZWVXTVSCXOHNGJ-UHFFFAOYSA-N 0 0 431.467 5.821 50 0 IKAARN O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020723719 527429183 /nfs/dbraw/zinc/42/91/83/527429183.db2.gz APLMVDRHUZHTOY-XMMPIXPASA-N 0 0 426.516 5.083 50 0 IKAARN O=c1/c(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)sc2nc3ccccc3n12 ZINC000015800239 527433176 /nfs/dbraw/zinc/43/31/76/527433176.db2.gz WVFJCSTXTBFFSR-QRVIBDJDSA-N 0 0 441.943 5.113 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccccc1I ZINC000015711252 527434005 /nfs/dbraw/zinc/43/40/05/527434005.db2.gz TUYKBCVFGRTWCF-UHFFFAOYSA-N 0 0 449.675 5.989 50 0 IKAARN O=c1nc(C=Cc2ccccc2I)[nH]c2sc3c(c21)CCCCC3 ZINC000012551684 527434183 /nfs/dbraw/zinc/43/41/83/527434183.db2.gz CASYAOPQSYVAMY-ZHACJKMWSA-N 0 0 448.329 5.029 50 0 IKAARN O=C(Nc1ccccc1SCc1cccc(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000012339863 527435308 /nfs/dbraw/zinc/43/53/08/527435308.db2.gz UITNFELKPWJMHQ-UHFFFAOYSA-N 0 0 439.861 7.043 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1)c1ccco1 ZINC000033036265 527436310 /nfs/dbraw/zinc/43/63/10/527436310.db2.gz WOLBAWPSGUCGSF-UHFFFAOYSA-N 0 0 445.331 5.630 50 0 IKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c12 ZINC000020608024 527436493 /nfs/dbraw/zinc/43/64/93/527436493.db2.gz YDRXVUSXKLEOOW-UHFFFAOYSA-N 0 0 429.370 5.076 50 0 IKAARN O=c1nc(CN(Cc2ccco2)Cc2ccccc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000022357825 527436758 /nfs/dbraw/zinc/43/67/58/527436758.db2.gz JIHHZSWGNQNGPA-UHFFFAOYSA-N 0 0 445.519 5.586 50 0 IKAARN O=c1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)[nH]c2sc(-c3ccccc3)cc21 ZINC000012769652 527437787 /nfs/dbraw/zinc/43/77/87/527437787.db2.gz UNFSAKXWIKCYQR-GOSISDBHSA-N 0 0 444.585 5.598 50 0 IKAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCc1ccccc1)nc2-c1ccc(Cl)cc1 ZINC000035925730 527438196 /nfs/dbraw/zinc/43/81/96/527438196.db2.gz SGUOMFKWMMOCNR-UHFFFAOYSA-N 0 0 444.901 5.469 50 0 IKAARN O=c1c2c(ncn1CCc1ccccc1)c1cc(F)ccc1n2Cc1c(F)cccc1Cl ZINC000035400375 527457156 /nfs/dbraw/zinc/45/71/56/527457156.db2.gz CMCWEYCJOJCTMY-UHFFFAOYSA-N 0 0 449.888 5.574 50 0 IKAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccc(F)cc1Cl ZINC000035400320 527457986 /nfs/dbraw/zinc/45/79/86/527457986.db2.gz MEKRHCDMPKMLMI-UHFFFAOYSA-N 0 0 435.861 5.379 50 0 IKAARN O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1Cc1ccccc1)CCCC3 ZINC000012650643 527458724 /nfs/dbraw/zinc/45/87/24/527458724.db2.gz YHCIZKDALCEHHO-UHFFFAOYSA-N 0 0 448.613 5.556 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)cc1 ZINC000001408535 527459442 /nfs/dbraw/zinc/45/94/42/527459442.db2.gz VMMSKPRELNHFOY-UHFFFAOYSA-N 0 0 443.315 5.323 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccc(Cl)c1 ZINC000002979597 527459513 /nfs/dbraw/zinc/45/95/13/527459513.db2.gz VRXKVGWATVOPIE-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1F ZINC000012507629 527462877 /nfs/dbraw/zinc/46/28/77/527462877.db2.gz NLBVVWDJUOJBDY-DHIUTWEWSA-N 0 0 431.536 5.298 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2Cl)n1-c1cccc(F)c1 ZINC000035911005 527466875 /nfs/dbraw/zinc/46/68/75/527466875.db2.gz YYWWEJBVXHDKEW-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2ccccc2nc(SCc2nccn2Cc2ccccc2)n1-c1ccccc1F ZINC000040067278 527467179 /nfs/dbraw/zinc/46/71/79/527467179.db2.gz LPVKKQNZVDCEPB-UHFFFAOYSA-N 0 0 442.519 5.062 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)c(Cl)c2)n1-c1cccc(F)c1 ZINC000035911007 527467201 /nfs/dbraw/zinc/46/72/01/527467201.db2.gz QLBZDLPHYRMHSI-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1-c1cc(Cl)ccc1Cl ZINC000035911032 527467226 /nfs/dbraw/zinc/46/72/26/527467226.db2.gz HLKSCNZDBVNKLK-UHFFFAOYSA-N 0 0 449.309 6.263 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1-c1cc(Cl)ccc1Cl ZINC000035911024 527467521 /nfs/dbraw/zinc/46/75/21/527467521.db2.gz CFLJQNLIPWKRLL-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c-2nn1Cc1ccc(Cl)cc1 ZINC000020936848 527469356 /nfs/dbraw/zinc/46/93/56/527469356.db2.gz LYJVUOFOFMOHMR-UHFFFAOYSA-N 0 0 435.861 5.331 50 0 IKAARN O=c1c2sc3nc(-c4ccccc4)cc(-c4ccco4)c3c2nnn1-c1ccc(F)cc1 ZINC000020899364 527472063 /nfs/dbraw/zinc/47/20/63/527472063.db2.gz RWAGBAHBFXMBJS-UHFFFAOYSA-N 0 0 440.459 5.457 50 0 IKAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000012644294 527472491 /nfs/dbraw/zinc/47/24/91/527472491.db2.gz WDOICEWJLDUIGI-UHFFFAOYSA-N 0 0 438.409 5.924 50 0 IKAARN O=c1c2sccc2n2c(SCc3ccc(Cl)cc3)nnc2n1Cc1ccccc1 ZINC000035529236 527472555 /nfs/dbraw/zinc/47/25/55/527472555.db2.gz ZHYHKGZFSJWGRH-UHFFFAOYSA-N 0 0 438.965 5.100 50 0 IKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1cccc(C(F)(F)F)c1)CO3 ZINC000020609964 527473919 /nfs/dbraw/zinc/47/39/19/527473919.db2.gz NHQCIJBYTGSLSD-UHFFFAOYSA-N 0 0 437.417 5.831 50 0 biogenic IKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc(Cl)c(Cl)c1)CO3 ZINC000020609878 527474152 /nfs/dbraw/zinc/47/41/52/527474152.db2.gz IUQPMEWHMIIMPD-UHFFFAOYSA-N 0 0 438.310 6.119 50 0 biogenic IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000016474426 527479092 /nfs/dbraw/zinc/47/90/92/527479092.db2.gz YXUXTGVWZCXDOV-AESUNOQTSA-N 0 0 444.501 5.242 50 0 IKAARN O=C(NC1CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020736169 527493699 /nfs/dbraw/zinc/49/36/99/527493699.db2.gz YFELJLUYCQEBOD-IWIPYMOSSA-N 0 0 444.531 5.398 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(Oc2ccccc2)c1 ZINC000012567010 527497912 /nfs/dbraw/zinc/49/79/12/527497912.db2.gz VBVKFAHQKSZECT-UHFFFAOYSA-N 0 0 441.339 7.162 50 0 IKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(CN2CCOCC2)cc1 ZINC000012583599 527501028 /nfs/dbraw/zinc/50/10/28/527501028.db2.gz MNYOMHQUHJXDTL-UHFFFAOYSA-N 0 0 429.545 5.048 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021917631 527506294 /nfs/dbraw/zinc/50/62/94/527506294.db2.gz PARFCMFABNSDAQ-XMMPIXPASA-N 0 0 449.595 6.114 50 0 IKAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000022289471 527507771 /nfs/dbraw/zinc/50/77/71/527507771.db2.gz NNIVZOFRCBJMKL-UHFFFAOYSA-N 0 0 440.619 5.720 50 0 IKAARN O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)c1ccccc1 ZINC000020509178 527514404 /nfs/dbraw/zinc/51/44/04/527514404.db2.gz MVSSJPGNLQPWSW-UHFFFAOYSA-N 0 0 431.561 5.704 50 0 in-vitro IKAARN O=C(NC1CCCCC1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000035512272 527518048 /nfs/dbraw/zinc/51/80/48/527518048.db2.gz YAJQYPLXEVEDBZ-UHFFFAOYSA-N 0 0 448.998 5.277 50 0 IKAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cccnc1 ZINC000012871559 527519842 /nfs/dbraw/zinc/51/98/42/527519842.db2.gz LBWMKUNZYHUQTQ-UHFFFAOYSA-N 0 0 431.361 5.419 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734755 527520471 /nfs/dbraw/zinc/52/04/71/527520471.db2.gz APPIPYKZGTUDMB-FYJGNVAPSA-N 0 0 426.969 5.878 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735131 527520920 /nfs/dbraw/zinc/52/09/20/527520920.db2.gz MHEMDYNVSMISTO-KGENOOAVSA-N 0 0 426.969 5.878 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000020892862 527522788 /nfs/dbraw/zinc/52/27/88/527522788.db2.gz MLOXRJAEUGPRBJ-LJQANCHMSA-N 0 0 428.355 5.026 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(-c3ccccc3)ccc2o1 ZINC000012590438 527525276 /nfs/dbraw/zinc/52/52/76/527525276.db2.gz HSYBMRGKERPDEK-WYMLVPIESA-N 0 0 446.337 7.466 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cc(C)nc4ccccc43)cc12 ZINC000012563166 527525961 /nfs/dbraw/zinc/52/59/61/527525961.db2.gz JEQRTKZQLDKGBI-UHFFFAOYSA-N 0 0 432.936 6.158 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)c1ccco1)C(C)C ZINC000035965448 527528403 /nfs/dbraw/zinc/52/84/03/527528403.db2.gz JISHKDNCHYLRPD-UHFFFAOYSA-N 0 0 433.483 5.756 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000020615631 527530047 /nfs/dbraw/zinc/53/00/47/527530047.db2.gz CHEKCBKYIRJTMB-UHFFFAOYSA-N 0 0 429.461 6.355 50 0 IKAARN Cc1nn(-c2ccc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2)c(=O)c2ccccc12 ZINC000012444844 527531085 /nfs/dbraw/zinc/53/10/85/527531085.db2.gz LXMITXNIJQWWSA-IBGZPJMESA-N 0 0 439.559 5.635 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C1CCC1 ZINC000035970577 527534763 /nfs/dbraw/zinc/53/47/63/527534763.db2.gz RLWVQVWBNNNZPG-UHFFFAOYSA-N 0 0 449.982 6.165 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)NCc1ccccc1 ZINC000034672457 527535197 /nfs/dbraw/zinc/53/51/97/527535197.db2.gz WMSYIUKCCIRWNF-UHFFFAOYSA-N 0 0 425.532 5.530 50 0 IKAARN O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)Nc1cccc(Cl)c1 ZINC000017058463 527535304 /nfs/dbraw/zinc/53/53/04/527535304.db2.gz DXKVRHZNMUYHNY-UHFFFAOYSA-N 0 0 442.972 6.462 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2C(F)(F)F)s1)c1ccccc1Cl ZINC000035924481 527536560 /nfs/dbraw/zinc/53/65/60/527536560.db2.gz VIJNCMWMKPOSHG-UHFFFAOYSA-N 0 0 429.876 5.755 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2F)s1)C1=C(c2ccccc2)SCCO1 ZINC000012391039 527536663 /nfs/dbraw/zinc/53/66/63/527536663.db2.gz VDXDSXOCGGLPIH-UHFFFAOYSA-N 0 0 445.566 5.040 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)c2cccs2)C2CC2)c1Oc1ccc(F)cc1 ZINC000035977387 527537013 /nfs/dbraw/zinc/53/70/13/527537013.db2.gz QIXQOVCJFJKCJL-UHFFFAOYSA-N 0 0 447.535 5.885 50 0 IKAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3ccccc3Br)sc21 ZINC000035509941 527537542 /nfs/dbraw/zinc/53/75/42/527537542.db2.gz WTTXHCLZJYSCCB-UHFFFAOYSA-N 0 0 446.757 5.970 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(Cc2ccco2)C(=O)C2CC2)c1Oc1ccc(F)cc1 ZINC000035977336 527538119 /nfs/dbraw/zinc/53/81/19/527538119.db2.gz SSEPLXPHLYWVDS-UHFFFAOYSA-N 0 0 445.494 5.550 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(Cc2ccco2)C(=O)C2CCC2)c1Oc1ccccc1 ZINC000035977810 527538892 /nfs/dbraw/zinc/53/88/92/527538892.db2.gz SOMMCTDGAQZXLE-UHFFFAOYSA-N 0 0 441.531 5.801 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009817690 527539404 /nfs/dbraw/zinc/53/94/04/527539404.db2.gz RXPPENKRZZQOFA-UHFFFAOYSA-N 0 0 444.604 5.438 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000012584239 527540113 /nfs/dbraw/zinc/54/01/13/527540113.db2.gz LLVPVQLACZHCGI-UHFFFAOYSA-N 0 0 444.560 5.075 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1cccnc1)CCCC2)c1ccccc1 ZINC000035476870 527541666 /nfs/dbraw/zinc/54/16/66/527541666.db2.gz PBOUHKQQPPWYAQ-XMMPIXPASA-N 0 0 440.572 5.871 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000032914303 527546155 /nfs/dbraw/zinc/54/61/55/527546155.db2.gz BEIQNZGMJHNPJH-UHFFFAOYSA-N 0 0 428.467 5.133 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC1CC1)C(=O)C1CCC1 ZINC000035977128 527548403 /nfs/dbraw/zinc/54/84/03/527548403.db2.gz LRJZKGQOFXVTTD-UHFFFAOYSA-N 0 0 429.564 5.820 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)C1CCC1)C(C)C ZINC000035980131 527548412 /nfs/dbraw/zinc/54/84/12/527548412.db2.gz SMCLEULVXMZVPW-UHFFFAOYSA-N 0 0 437.971 6.164 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C(C)C)C1CC1 ZINC000035976270 527549345 /nfs/dbraw/zinc/54/93/45/527549345.db2.gz HJMVYIIECBADCW-UHFFFAOYSA-N 0 0 425.479 5.398 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)C(C)C)C(C)C ZINC000035980130 527549578 /nfs/dbraw/zinc/54/95/78/527549578.db2.gz YVDQSNFLXOVFJV-UHFFFAOYSA-N 0 0 425.960 6.019 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCc4ccccc4C3)cc1CC2 ZINC000033049016 527550272 /nfs/dbraw/zinc/55/02/72/527550272.db2.gz BPHXYFDSPGOEGQ-UHFFFAOYSA-N 0 0 425.557 5.206 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C(=O)NC(C)(C)C ZINC000035971042 527550437 /nfs/dbraw/zinc/55/04/37/527550437.db2.gz DQIWBZQJFAIUQS-UHFFFAOYSA-N 0 0 434.584 5.939 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)C1CCC1 ZINC000035970803 527550496 /nfs/dbraw/zinc/55/04/96/527550496.db2.gz BTLUXGSIDCTPND-DEOSSOPVSA-N 0 0 445.563 5.281 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)NC(C)(C)C ZINC000035971092 527550784 /nfs/dbraw/zinc/55/07/84/527550784.db2.gz HBXAAHMJXJCORF-UHFFFAOYSA-N 0 0 432.568 5.693 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cnn(Cc4cccc(Cl)c4)c3)cc12 ZINC000020616297 527556113 /nfs/dbraw/zinc/55/61/13/527556113.db2.gz KZNYMFBSUWCEMT-UHFFFAOYSA-N 0 0 447.951 5.546 50 0 IKAARN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000020898742 527564982 /nfs/dbraw/zinc/56/49/82/527564982.db2.gz VHOAVGCBFSXIPA-LJQANCHMSA-N 0 0 428.355 5.026 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3cccc(C)c3C)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893624 527569009 /nfs/dbraw/zinc/56/90/09/527569009.db2.gz NYOWMYWTPRAIGN-UHFFFAOYSA-N 0 0 444.604 6.022 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3c(C)cccc3C)cs2)c(C)c1Cc1ccccc1 ZINC000014609270 527569439 /nfs/dbraw/zinc/56/94/39/527569439.db2.gz MCWMOWSYRWHIPS-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893597 527569571 /nfs/dbraw/zinc/56/95/71/527569571.db2.gz UADTYBVJFQCLTN-UHFFFAOYSA-N 0 0 434.540 5.545 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1Cc1ccccc1Cl ZINC000014609350 527570337 /nfs/dbraw/zinc/57/03/37/527570337.db2.gz ROAKNBNWYATSSS-UHFFFAOYSA-N 0 0 436.968 5.371 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c(C)c1Cc1ccccc1 ZINC000014609271 527570398 /nfs/dbraw/zinc/57/03/98/527570398.db2.gz QSQCVRRLBPEEGJ-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000021177480 527571500 /nfs/dbraw/zinc/57/15/00/527571500.db2.gz GOQMSBSRINYOFS-CQSZACIVSA-N 0 0 439.338 5.027 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000020891349 527571691 /nfs/dbraw/zinc/57/16/91/527571691.db2.gz BYIPRZMWDRPZCW-SFHVURJKSA-N 0 0 426.954 5.219 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000021661073 527571836 /nfs/dbraw/zinc/57/18/36/527571836.db2.gz WGHFYXNPHGRHRO-HNNXBMFYSA-N 0 0 442.466 5.592 50 0 IKAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCc3cccc(Cl)c3)c1)CC(=O)N2 ZINC000020729662 527573131 /nfs/dbraw/zinc/57/31/31/527573131.db2.gz KSUJYFMCEBGYPZ-HXUWFJFHSA-N 0 0 445.910 5.327 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(Br)c1)CC(=O)N2 ZINC000021177515 527573223 /nfs/dbraw/zinc/57/32/23/527573223.db2.gz VDYMYAAPHMPECA-AWEZNQCLSA-N 0 0 439.338 5.027 50 0 IKAARN Cn1ncc2c1nc(N1CCC(Cc3ccccc3)CC1)nc2Nc1cccc(Cl)c1 ZINC000017148898 527581377 /nfs/dbraw/zinc/58/13/77/527581377.db2.gz WABBNKALGNPRNO-UHFFFAOYSA-N 0 0 432.959 5.219 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000015905959 527607682 /nfs/dbraw/zinc/60/76/82/527607682.db2.gz CJQKVTCNZNGYMR-YRJJDLLLSA-N 0 0 432.907 6.362 50 0 IKAARN O=C(/C=C/c1ccc(SC(F)F)cc1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000012192104 527618394 /nfs/dbraw/zinc/61/83/94/527618394.db2.gz VEVQDBLECNHHDE-JLHYYAGUSA-N 0 0 432.451 5.916 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000035845288 527632605 /nfs/dbraw/zinc/63/26/05/527632605.db2.gz CXERIDYJZYSKNN-FRFYRWIFSA-N 0 0 429.907 5.503 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000035845289 527632707 /nfs/dbraw/zinc/63/27/07/527632707.db2.gz CXERIDYJZYSKNN-JXVRESAISA-N 0 0 429.907 5.503 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F ZINC000035928253 527633993 /nfs/dbraw/zinc/63/39/93/527633993.db2.gz TVJNYWYUQSZZGY-MURVUTHMSA-N 0 0 436.483 5.395 50 0 IKAARN O=C(/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O)N1CCCCCCC1 ZINC000022668675 527651882 /nfs/dbraw/zinc/65/18/82/527651882.db2.gz ZQVRPPHKPWQQFE-CJLVFECKSA-N 0 0 440.996 5.656 50 0 IKAARN O=C(/C=C\c1c(Cl)nc2ccccn21)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000033578190 527654265 /nfs/dbraw/zinc/65/42/65/527654265.db2.gz YMJSUJXDBBOTHV-KTKRTIGZSA-N 0 0 448.876 5.649 50 0 IKAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)N1CCCCC1 ZINC000016225439 527660307 /nfs/dbraw/zinc/66/03/07/527660307.db2.gz HKLQYJCFKJCHPN-SEYXRHQNSA-N 0 0 436.353 5.328 50 0 IKAARN O[C@@H]([C@@H](c1nc2ccccc2n1Cc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl ZINC000012376623 527665608 /nfs/dbraw/zinc/66/56/08/527665608.db2.gz OVYMARCHHCDVLL-SFTDATJTSA-N 0 0 445.777 5.948 50 0 IKAARN O[C@@H]([C@H](c1nc2ccccc2n1Cc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl ZINC000012376624 527665872 /nfs/dbraw/zinc/66/58/72/527665872.db2.gz OVYMARCHHCDVLL-RTWAWAEBSA-N 0 0 445.777 5.948 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000020509450 527668487 /nfs/dbraw/zinc/66/84/87/527668487.db2.gz SJZLJRBQJBKBDJ-UHFFFAOYSA-N 0 0 438.493 5.182 50 0 IKAARN FC(F)(F)c1cc(Cl)c(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(Cl)c1 ZINC000012369454 527679762 /nfs/dbraw/zinc/67/97/62/527679762.db2.gz OJUWDHJUHLLJDL-UHFFFAOYSA-N 0 0 443.104 8.110 50 0 IKAARN FC(F)(F)c1cc(Cl)c(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c(Cl)c1 ZINC000012369457 527679793 /nfs/dbraw/zinc/67/97/93/527679793.db2.gz KMQBVKIJPFYUPZ-UHFFFAOYSA-N 0 0 446.277 6.964 50 0 IKAARN FC(F)(F)c1c2c(nn1-c1nc(-c3ccc(Br)cc3)cs1)CCCCC2 ZINC000016957489 527679848 /nfs/dbraw/zinc/67/98/48/527679848.db2.gz KJXYPEPEYUKTBU-UHFFFAOYSA-N 0 0 442.304 6.046 50 0 IKAARN O=C(NCCCOC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935291 527681494 /nfs/dbraw/zinc/68/14/94/527681494.db2.gz KZHTZOIKVNUCSP-UHFFFAOYSA-N 0 0 441.575 5.402 50 0 IKAARN FC(F)(F)c1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 ZINC000012369464 527681461 /nfs/dbraw/zinc/68/14/61/527681461.db2.gz QGBRFVPLNGJGLQ-UHFFFAOYSA-N 0 0 439.549 6.887 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(N2CCCCC2)c2cc(Cl)ccc23)c1 ZINC000020859575 527684320 /nfs/dbraw/zinc/68/43/20/527684320.db2.gz ALWOLBWTLIBYBW-UHFFFAOYSA-N 0 0 431.849 5.607 50 0 IKAARN FC(F)(F)c1ccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)nc1 ZINC000023334140 527684356 /nfs/dbraw/zinc/68/43/56/527684356.db2.gz JIVKGVGCROJOFM-UHFFFAOYSA-N 0 0 435.323 6.747 50 0 IKAARN FC(F)(F)c1ccc(Oc2ccc(-c3nc(-c4ccc(Cl)cc4)cs3)cc2)nc1 ZINC000012369705 527684446 /nfs/dbraw/zinc/68/44/46/527684446.db2.gz ZBRJVONKCMHNKM-UHFFFAOYSA-N 0 0 432.854 7.337 50 0 IKAARN FC(F)(F)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012617491 527684606 /nfs/dbraw/zinc/68/46/06/527684606.db2.gz WTXRAXOOLHNSNI-IRLDBZIGSA-N 0 0 428.841 6.601 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1 ZINC000035840195 527685863 /nfs/dbraw/zinc/68/58/63/527685863.db2.gz CYBGVHUOLHEHSZ-UHFFFAOYSA-N 0 0 446.885 6.294 50 0 IKAARN FC(F)(F)c1ccccc1NC(=S)Nc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012528168 527687019 /nfs/dbraw/zinc/68/70/19/527687019.db2.gz GLXTWRBXZDXDHH-UHFFFAOYSA-N 0 0 438.478 6.367 50 0 IKAARN FC(F)Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012285202 527696545 /nfs/dbraw/zinc/69/65/45/527696545.db2.gz XHTIYMJMMBWIKS-IFMALSPDSA-N 0 0 426.850 6.184 50 0 IKAARN CC1(C)C[C@](C)(c2cccc(Br)c2)c2ccccc2N1C(=O)c1ccccc1 ZINC000003670859 534935487 /nfs/dbraw/zinc/93/54/87/534935487.db2.gz JNDUWMXCOGMRLX-RUZDIDTESA-N 0 0 434.377 6.584 50 0 IKAARN CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@H]2C)cc1 ZINC000002743036 535083580 /nfs/dbraw/zinc/08/35/80/535083580.db2.gz LMZAHBRNVSYUPS-AJTFRIOCSA-N 0 0 426.604 7.238 50 0 IKAARN CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 ZINC000013764383 535084675 /nfs/dbraw/zinc/08/46/75/535084675.db2.gz LSVVQGOVNUXOAF-GGPAXRDESA-N 0 0 426.604 7.258 50 0 IKAARN CCCCc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708841 535093988 /nfs/dbraw/zinc/09/39/88/535093988.db2.gz CDFLDVHVJZBZJP-UHFFFAOYSA-N 0 0 438.963 5.191 50 0 IKAARN CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003065467 535136309 /nfs/dbraw/zinc/13/63/09/535136309.db2.gz JYSXRURAQFCTLW-XYGWBWBKSA-N 0 0 442.584 5.815 50 0 IKAARN CC(C)(COC(=O)c1ccc(F)cc1)NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000002334379 535175743 /nfs/dbraw/zinc/17/57/43/535175743.db2.gz SBJQBKXRDOWLQL-UHFFFAOYSA-N 0 0 436.508 5.774 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 ZINC000009190029 535295134 /nfs/dbraw/zinc/29/51/34/535295134.db2.gz LEGIQMMIBHNQFE-NTKDMRAZSA-N 0 0 428.532 5.619 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000009190025 535295206 /nfs/dbraw/zinc/29/52/06/535295206.db2.gz QXKBOPHSPFAFFG-KBMIEXCESA-N 0 0 428.532 5.619 50 0 IKAARN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000009130403 535319163 /nfs/dbraw/zinc/31/91/63/535319163.db2.gz SHRGQDIZFCHWSK-CPJSRVTESA-N 0 0 428.532 5.375 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc(F)cc1 ZINC000001803224 535430659 /nfs/dbraw/zinc/43/06/59/535430659.db2.gz TWHYQGNOYVKRGL-UHFFFAOYSA-N 0 0 445.606 6.568 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(F)cc1 ZINC000002240170 535430737 /nfs/dbraw/zinc/43/07/37/535430737.db2.gz LOUWXTRILWQUPJ-UHFFFAOYSA-N 0 0 431.579 6.639 50 0 IKAARN CCOc1ccc2nc(SCC(=O)N3c4ccc(C)cc4[C@@H](C)CC3(C)C)sc2c1 ZINC000001814787 535445165 /nfs/dbraw/zinc/44/51/65/535445165.db2.gz RFQOYSCQNUZIDH-INIZCTEOSA-N 0 0 440.634 6.415 50 0 IKAARN CCOc1ccccc1C(=O)N1c2ccc(F)cc2-c2c(ssc2=S)C1(C)C ZINC000002091960 535490092 /nfs/dbraw/zinc/49/00/92/535490092.db2.gz PCIAWDRKHXQIJE-UHFFFAOYSA-N 0 0 431.579 6.639 50 0 IKAARN COc1ccc(/C=C/C(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(C)=O)c3ccccc32)cc1 ZINC000008970041 536575272 /nfs/dbraw/zinc/57/52/72/536575272.db2.gz MNAKXFMOSHIJJW-XESWOXFOSA-N 0 0 440.543 5.628 50 0 IKAARN COc1ccc(/C=C/C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)cc1 ZINC000008970040 536575459 /nfs/dbraw/zinc/57/54/59/536575459.db2.gz MNAKXFMOSHIJJW-VIOABPAUSA-N 0 0 440.543 5.628 50 0 IKAARN COc1ccc(/C=C/C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(C)=O)c3ccccc32)cc1 ZINC000001180299 536575869 /nfs/dbraw/zinc/57/58/69/536575869.db2.gz MNAKXFMOSHIJJW-YGVPJTNVSA-N 0 0 440.543 5.628 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000004181387 536580862 /nfs/dbraw/zinc/58/08/62/536580862.db2.gz VAWZYEBCDGJDBN-OETTXPGDSA-N 0 0 445.990 6.883 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1OC ZINC000002071167 536581207 /nfs/dbraw/zinc/58/12/07/536581207.db2.gz QDJZBEWSSRBWBF-KUFXCBRLSA-N 0 0 441.571 6.239 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@](C)(c3ccc(C)cc3)CC2(C)C)cc1 ZINC000002279379 536581529 /nfs/dbraw/zinc/58/15/29/536581529.db2.gz NRTDZUHMCHARHE-RFEICPCNSA-N 0 0 425.572 6.538 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757193 536658835 /nfs/dbraw/zinc/65/88/35/536658835.db2.gz VFZQLVVBQILVTN-NOZRDPDXSA-N 0 0 438.543 5.158 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 ZINC000013117272 536659519 /nfs/dbraw/zinc/65/95/19/536659519.db2.gz ZPRXWVXLPPKHKF-ZEQKJWHPSA-N 0 0 428.532 5.435 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 ZINC000013117271 536660152 /nfs/dbraw/zinc/66/01/52/536660152.db2.gz ZPRXWVXLPPKHKF-BVAGGSTKSA-N 0 0 428.532 5.435 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000013120382 536664485 /nfs/dbraw/zinc/66/44/85/536664485.db2.gz UUNCJPDDMFRUFY-SANMLTNESA-N 0 0 438.531 5.328 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3[C@H](C(=O)NCCC(C)C)[C@@H]2c2ccsc2)cc1 ZINC000002512899 536666177 /nfs/dbraw/zinc/66/61/77/536666177.db2.gz VVOIPIOEQBNGNG-ZEQRLZLVSA-N 0 0 448.588 5.404 50 0 IKAARN COc1ccc(N2C3=C(Cc4cc(Cl)ccc4O3)C(=S)N[C@H]2c2ccccc2)cc1 ZINC000009673675 536666931 /nfs/dbraw/zinc/66/69/31/536666931.db2.gz UDUMWQJEASFOFL-JOCHJYFZSA-N 0 0 434.948 5.631 50 0 IKAARN COc1ccc([C@@H]2NC(=S)C3=C(Oc4c(cccc4OC)C3)N2c2ccc(F)cc2)cc1 ZINC000009673673 536893579 /nfs/dbraw/zinc/89/35/79/536893579.db2.gz XCZQVSJBZJUBID-HSZRJFAPSA-N 0 0 448.519 5.125 50 0 IKAARN COc1cccc([C@H]2NC(=S)C3=C(Oc4c(cccc4OC)C3)N2c2ccc(F)cc2)c1 ZINC000009673602 536913511 /nfs/dbraw/zinc/91/35/11/536913511.db2.gz JXUOJXFRCBVBEG-QHCPKHFHSA-N 0 0 448.519 5.125 50 0 IKAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Br)c2)cc1OC ZINC000002275116 536945786 /nfs/dbraw/zinc/94/57/86/536945786.db2.gz XTUAQMYHMGMBNA-NRFANRHFSA-N 0 0 439.309 5.237 50 0 IKAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000013070245 536947844 /nfs/dbraw/zinc/94/78/44/536947844.db2.gz FOPPEBIIIMFZNG-GJZUVCINSA-N 0 0 444.531 5.135 50 0 IKAARN CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000253609481 574421685 /nfs/dbraw/zinc/42/16/85/574421685.db2.gz VGSSUFQMXBFFTM-LHDAKESRSA-N 0 0 448.732 6.190 50 0 endogenous,in-man IKAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 ZINC000009071697 555508929 /nfs/dbraw/zinc/50/89/29/555508929.db2.gz CGTIKYXKPUPOHY-JTQLQIEISA-N 0 0 440.878 5.155 50 0 IKAARN Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c2cccc3Cl)c(Cl)c1 ZINC000000606383 555510789 /nfs/dbraw/zinc/51/07/89/555510789.db2.gz JLGKQTAYUIMGRK-LJQANCHMSA-N 0 0 437.779 7.016 50 0 fda IKAARN Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F ZINC000000602675 555510791 /nfs/dbraw/zinc/51/07/91/555510791.db2.gz SLCFEJAMCRLYRG-UHFFFAOYSA-N 0 0 429.282 5.493 50 0 in-vivo IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000000622722 555511077 /nfs/dbraw/zinc/51/10/77/555511077.db2.gz XVDDHZODZDRTJB-UHFFFAOYSA-N 0 0 445.544 5.235 50 0 IKAARN CCC(=O)Nc1ccc(NCc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 ZINC000000624274 555511713 /nfs/dbraw/zinc/51/17/13/555511713.db2.gz JHSVSSKMWLPGJB-UHFFFAOYSA-N 0 0 442.918 6.027 50 0 IKAARN CCC(=O)Nc1ccc(NCc2ccc(OCc3ccc(F)cc3Cl)c(OC)c2)cc1 ZINC000000624273 555511739 /nfs/dbraw/zinc/51/17/39/555511739.db2.gz NAPNJRJHFXGTBD-UHFFFAOYSA-N 0 0 442.918 6.027 50 0 IKAARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4sc5ccccc5c4Cl)c3)nn12 ZINC000000624091 555511753 /nfs/dbraw/zinc/51/17/53/555511753.db2.gz SVRAGIOKFAFZGX-UHFFFAOYSA-N 0 0 439.953 5.590 50 0 IKAARN CC(=O)Nc1ccc2nc(SCc3ccc(C(=O)Nc4ccccc4)cc3)sc2c1 ZINC000000624810 555512043 /nfs/dbraw/zinc/51/20/43/555512043.db2.gz FJIBNQLMTCVZCQ-UHFFFAOYSA-N 0 0 433.558 5.799 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nnnn2-c2ccccc2)cc1 ZINC000000625026 555512410 /nfs/dbraw/zinc/51/24/10/555512410.db2.gz JTRWWTVFIPFIED-UHFFFAOYSA-N 0 0 435.940 5.169 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000000625853 555512546 /nfs/dbraw/zinc/51/25/46/555512546.db2.gz JPWBIZFSZQFELM-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN COc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(OC)c1 ZINC000000626719 555512908 /nfs/dbraw/zinc/51/29/08/555512908.db2.gz FTPKDETUNPEZGI-INIZCTEOSA-N 0 0 445.346 5.592 50 0 IKAARN O=C(c1ccccc1)[C@H](Cn1cncn1)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 ZINC000000630040 555514234 /nfs/dbraw/zinc/51/42/34/555514234.db2.gz PLEIRHUGPRYAFK-UPVQGACJSA-N 0 0 433.964 5.964 50 0 IKAARN COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 ZINC000000630196 555514580 /nfs/dbraw/zinc/51/45/80/555514580.db2.gz VYDSZDNKWHADOH-UHFFFAOYSA-N 0 0 444.969 5.241 50 0 IKAARN O=C(CCSc1nnc2ccccn21)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000000630211 555514655 /nfs/dbraw/zinc/51/46/55/555514655.db2.gz XWARXTGYSFPPIG-UHFFFAOYSA-N 0 0 431.546 5.127 50 0 IKAARN CCc1cc2c(cc1Oc1ccccc1)oc(C)c(Oc1cnn(-c3ccccc3)c1)c2=O ZINC000000633000 555515505 /nfs/dbraw/zinc/51/55/05/555515505.db2.gz SMEADJMTIGJQDF-UHFFFAOYSA-N 0 0 438.483 6.434 50 0 IKAARN CSc1nc(Oc2cc(C)c(Cl)c(C)c2)cc(-n2ncc(Cl)c(Cl)c2=O)n1 ZINC000000632516 555515517 /nfs/dbraw/zinc/51/55/17/555515517.db2.gz HXXMYRKOTIWNBY-UHFFFAOYSA-N 0 0 443.743 5.114 50 0 IKAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000000633789 555516106 /nfs/dbraw/zinc/51/61/06/555516106.db2.gz GALHNWJWOBFTGP-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000000633785 555516115 /nfs/dbraw/zinc/51/61/15/555516115.db2.gz GALHNWJWOBFTGP-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000000638828 555517499 /nfs/dbraw/zinc/51/74/99/555517499.db2.gz ISUUVVITWXMDPQ-UHFFFAOYSA-N 0 0 432.351 5.589 50 0 IKAARN O=S(=O)(c1ccc(Oc2ccc(O)cc2)cc1)c1ccc(Oc2ccc(O)cc2)cc1 ZINC000000639109 555517790 /nfs/dbraw/zinc/51/77/90/555517790.db2.gz ZOFTWRZAZQVHGM-UHFFFAOYSA-N 0 0 434.469 5.515 50 0 IKAARN CC(=O)Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(C)=O)cc3)c(F)c2F)cc1 ZINC000000639652 555517849 /nfs/dbraw/zinc/51/78/49/555517849.db2.gz ASIQIZMFGIGXGA-UHFFFAOYSA-N 0 0 448.372 5.744 50 0 IKAARN C[C@@H]1CCCCN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000000640637 555518106 /nfs/dbraw/zinc/51/81/06/555518106.db2.gz IJPLALOOISYYMS-NHCUHLMSSA-N 0 0 448.611 6.090 50 0 IKAARN COc1cc(C)c(C(=O)CCc2cc(O)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000000639883 555518119 /nfs/dbraw/zinc/51/81/19/555518119.db2.gz MKJBAZABJCNZKM-UHFFFAOYSA-N 0 0 436.504 5.121 50 0 IKAARN CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)N(CC)Cc2ccccc2)c1 ZINC000000640695 555518357 /nfs/dbraw/zinc/51/83/57/555518357.db2.gz WSYRYWKMCDQCRD-UHFFFAOYSA-N 0 0 444.579 6.103 50 0 IKAARN COc1ccc(OCCn2cc(/C=C3\N=C(c4ccccc4)OC3=O)c3ccccc32)cc1 ZINC000000640691 555518363 /nfs/dbraw/zinc/51/83/63/555518363.db2.gz SEUHQFIGYFDQFD-ULJHMMPZSA-N 0 0 438.483 5.073 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)N1CCc2ccccc21 ZINC000000642508 555518976 /nfs/dbraw/zinc/51/89/76/555518976.db2.gz ZJPLANLDNBVDAX-UHFFFAOYSA-N 0 0 432.593 5.056 50 0 IKAARN COc1ccc(-c2c(Cl)nc(NCc3ccccc3)c(=O)n2-c2ccccc2)cc1OC ZINC000000642859 555519014 /nfs/dbraw/zinc/51/90/14/555519014.db2.gz WQZIUNNFLFDNBO-UHFFFAOYSA-N 0 0 447.922 5.182 50 0 IKAARN CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000642745 555519022 /nfs/dbraw/zinc/51/90/22/555519022.db2.gz WKYPZKXVKJINFI-NSHDSACASA-N 0 0 443.135 5.016 50 0 IKAARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3N[C@H](c3ccccc3)NC2=O)cc1 ZINC000000643026 555519277 /nfs/dbraw/zinc/51/92/77/555519277.db2.gz NWGBDJCQZITLBB-QHCPKHFHSA-N 0 0 443.528 5.337 50 0 IKAARN CCOc1ccc(-c2nc(N(C(=O)CC)c3ccc(C(=O)OC)cc3)sc2CC)cc1 ZINC000000643314 555519311 /nfs/dbraw/zinc/51/93/11/555519311.db2.gz GPOLGWNNLBFHLZ-UHFFFAOYSA-N 0 0 438.549 5.633 50 0 IKAARN COc1ccc(-c2nc(N(C(=O)CCc3ccccc3)c3ccc(F)cc3)sc2C)cc1 ZINC000000643391 555519314 /nfs/dbraw/zinc/51/93/14/555519314.db2.gz KCKZHMCDBLPBJB-UHFFFAOYSA-N 0 0 446.547 6.564 50 0 IKAARN COc1ccc(N(C(=O)C2CCCCC2)c2nc(-c3ccccc3)c(C)s2)c(OC)c1 ZINC000000643364 555519348 /nfs/dbraw/zinc/51/93/48/555519348.db2.gz SBCXDGNLQTYAPI-UHFFFAOYSA-N 0 0 436.577 6.381 50 0 IKAARN O=C(c1nnn(Cc2c(Cl)cccc2Cl)c1C(=O)c1ccccc1)c1ccccc1 ZINC000000643699 555519441 /nfs/dbraw/zinc/51/94/41/555519441.db2.gz IMDUHQSIMVORBP-UHFFFAOYSA-N 0 0 436.298 5.095 50 0 IKAARN COc1ccc(-c2csc(=S)n2NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000000643808 555519536 /nfs/dbraw/zinc/51/95/36/555519536.db2.gz HFUHUCSHHMHXEM-UHFFFAOYSA-N 0 0 435.368 5.030 50 0 IKAARN CC(=O)Nc1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000643882 555519569 /nfs/dbraw/zinc/51/95/69/555519569.db2.gz UMENSJNOTAHPHD-SFHVURJKSA-N 0 0 443.330 5.500 50 0 IKAARN CSc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000000643782 555519584 /nfs/dbraw/zinc/51/95/84/555519584.db2.gz MDEUXBYXPDTWND-UHFFFAOYSA-N 0 0 441.361 5.652 50 0 IKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000643985 555519778 /nfs/dbraw/zinc/51/97/78/555519778.db2.gz VIPFMFLAEIWKFB-MRXNPFEDSA-N 0 0 436.577 6.305 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCC3)c1 ZINC000000644073 555519870 /nfs/dbraw/zinc/51/98/70/555519870.db2.gz BDEKKHVUWVDTIH-UHFFFAOYSA-N 0 0 442.562 5.210 50 0 IKAARN CC1C[C@H](C)N(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@@H](C)C1 ZINC000000647251 555521309 /nfs/dbraw/zinc/52/13/09/555521309.db2.gz BPVZMEUAWQSYSP-GJZGRUSLSA-N 0 0 442.485 5.163 50 0 IKAARN CC1C[C@@H](C)N(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@H](C)C1 ZINC000000647249 555521365 /nfs/dbraw/zinc/52/13/65/555521365.db2.gz BPVZMEUAWQSYSP-HUUCEWRRSA-N 0 0 442.485 5.163 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000646950 555521382 /nfs/dbraw/zinc/52/13/82/555521382.db2.gz LJUPEZOJSBKFTP-HKUYNNGSSA-N 0 0 448.876 5.469 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)(C)C)s3)c3ccccc3n2)cc1 ZINC000000647929 555521613 /nfs/dbraw/zinc/52/16/13/555521613.db2.gz BBIDFGJRZCQLIX-UHFFFAOYSA-N 0 0 432.549 5.603 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nnc(CC4CCCC4)s3)c3ccccc3n2)cc1 ZINC000000647932 555521648 /nfs/dbraw/zinc/52/16/48/555521648.db2.gz OINOTMOHAJCDIS-UHFFFAOYSA-N 0 0 444.560 5.747 50 0 IKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(Br)c1 ZINC000000648661 555521877 /nfs/dbraw/zinc/52/18/77/555521877.db2.gz FVXKXCMBXMDKAU-UHFFFAOYSA-N 0 0 447.336 5.322 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 ZINC000000648727 555521889 /nfs/dbraw/zinc/52/18/89/555521889.db2.gz NAIIJMSYDHFDNY-SFHVURJKSA-N 0 0 448.592 5.637 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3)nc(-c3ccccc3)nc12 ZINC000000648339 555521903 /nfs/dbraw/zinc/52/19/03/555521903.db2.gz OFMBWHUKMPFDKZ-UHFFFAOYSA-N 0 0 429.545 5.599 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000000648734 555521943 /nfs/dbraw/zinc/52/19/43/555521943.db2.gz LHVNHNGNAIWNJB-UHFFFAOYSA-N 0 0 444.560 5.194 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 ZINC000000648728 555521947 /nfs/dbraw/zinc/52/19/47/555521947.db2.gz NAIIJMSYDHFDNY-GOSISDBHSA-N 0 0 448.592 5.637 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1Br ZINC000000648781 555521950 /nfs/dbraw/zinc/52/19/50/555521950.db2.gz AVUPMPTVGRRPOL-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1sc2ccccc2c1Cl ZINC000000648810 555522114 /nfs/dbraw/zinc/52/21/14/555522114.db2.gz FVMPIUWXRKNAJU-UHFFFAOYSA-N 0 0 436.751 6.359 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000000648831 555522126 /nfs/dbraw/zinc/52/21/26/555522126.db2.gz BLDLCZMNSZSBBT-UHFFFAOYSA-N 0 0 443.576 5.239 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000651510 555522917 /nfs/dbraw/zinc/52/29/17/555522917.db2.gz QLHUSOZUPUCYAY-RPWUZVMVSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000651512 555522931 /nfs/dbraw/zinc/52/29/31/555522931.db2.gz QLHUSOZUPUCYAY-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000000651280 555522970 /nfs/dbraw/zinc/52/29/70/555522970.db2.gz PCEODVKTMGECNO-UHFFFAOYSA-N 0 0 425.315 5.984 50 0 IKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1cccc(C(F)(F)F)c1 ZINC000000651583 555522973 /nfs/dbraw/zinc/52/29/73/555522973.db2.gz AIZYGQDMMSJHBF-QFIPXVFZSA-N 0 0 437.396 5.984 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc(OCC)c1OCC ZINC000000651633 555523003 /nfs/dbraw/zinc/52/30/03/555523003.db2.gz DMFPBTRBYJINLR-UHFFFAOYSA-N 0 0 447.491 5.338 50 0 IKAARN COc1ccc2o/c(=N\c3ccc(-c4nc5ccc(C)cc5s4)cc3)c(C(N)=O)cc2c1 ZINC000000652151 555523218 /nfs/dbraw/zinc/52/32/18/555523218.db2.gz VDMDWDCJQOEQAQ-PNHLSOANSA-N 0 0 441.512 5.358 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)o3)nc3ccccc31)CCC2 ZINC000000656246 555525148 /nfs/dbraw/zinc/52/51/48/555525148.db2.gz KDDZTNKGRZAQPJ-UHFFFAOYSA-N 0 0 432.501 5.392 50 0 IKAARN CCn1ncc(/C=C/C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2C)c1C ZINC000000656830 555525387 /nfs/dbraw/zinc/52/53/87/555525387.db2.gz LDFMBRATPCNHEC-VQHVLOKHSA-N 0 0 432.355 5.032 50 0 IKAARN NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000000657159 555525424 /nfs/dbraw/zinc/52/54/24/555525424.db2.gz JOPDIGJYIMGYCK-UHFFFAOYSA-N 0 0 436.298 5.560 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000000657080 555525431 /nfs/dbraw/zinc/52/54/31/555525431.db2.gz WJHYIRRMWOOXSF-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000000658893 555526084 /nfs/dbraw/zinc/52/60/84/555526084.db2.gz VWPCRKKQRDKOAL-UHFFFAOYSA-N 0 0 427.982 6.066 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CC[C@@H](C)C3)cc1 ZINC000000659388 555526350 /nfs/dbraw/zinc/52/63/50/555526350.db2.gz YSTDKZFGIRGMCT-MRXNPFEDSA-N 0 0 434.561 5.776 50 0 IKAARN COc1cccc2cc(-c3csc(Nc4ccc(Br)cc4)n3)c(=O)oc21 ZINC000000659344 555526363 /nfs/dbraw/zinc/52/63/63/555526363.db2.gz WAHDAADUJIESAW-UHFFFAOYSA-N 0 0 429.295 5.431 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCC3)cc1 ZINC000000659408 555526386 /nfs/dbraw/zinc/52/63/86/555526386.db2.gz QFSOLMPHMSPUHP-UHFFFAOYSA-N 0 0 440.952 5.794 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cccc(C)c1 ZINC000000661073 555526741 /nfs/dbraw/zinc/52/67/41/555526741.db2.gz OQBHOYLZSBDREV-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 ZINC000000661260 555526761 /nfs/dbraw/zinc/52/67/61/555526761.db2.gz ROYZBAIEJDQIGU-HNNXBMFYSA-N 0 0 431.561 6.320 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)cc1 ZINC000000661531 555527090 /nfs/dbraw/zinc/52/70/90/555527090.db2.gz QXBSKOQFMWSEAH-OAHLLOKOSA-N 0 0 431.561 6.320 50 0 IKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000000663001 555527390 /nfs/dbraw/zinc/52/73/90/555527390.db2.gz JMDWWKYTEIVTGG-UHFFFAOYSA-N 0 0 431.897 5.125 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000663879 555527696 /nfs/dbraw/zinc/52/76/96/555527696.db2.gz VNVQTCYATGNBOZ-UHFFFAOYSA-N 0 0 445.268 5.503 50 0 IKAARN COc1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)o2)cc1Cl ZINC000000666285 555528609 /nfs/dbraw/zinc/52/86/09/555528609.db2.gz SSHNNPUQNJASDE-LLVKDONJSA-N 0 0 426.925 5.698 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000000666701 555528616 /nfs/dbraw/zinc/52/86/16/555528616.db2.gz KFRFLJNVXDSCTA-UHFFFAOYSA-N 0 0 429.259 5.768 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CSc1ccccc1 ZINC000000668426 555529884 /nfs/dbraw/zinc/52/98/84/555529884.db2.gz WITBRHUYBFKPOL-UHFFFAOYSA-N 0 0 427.547 5.331 50 0 IKAARN CC(C)(C)NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000000668811 555529904 /nfs/dbraw/zinc/52/99/04/555529904.db2.gz AJYRNPGMPMKPDR-UHFFFAOYSA-N 0 0 431.245 5.250 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)o1 ZINC000000668402 555529907 /nfs/dbraw/zinc/52/99/07/555529907.db2.gz OHGXUDIUHVLGDY-UHFFFAOYSA-N 0 0 434.311 5.508 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000669555 555530243 /nfs/dbraw/zinc/53/02/43/555530243.db2.gz OKITVMSCBLNDQC-UHFFFAOYSA-N 0 0 427.740 6.096 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1I ZINC000000670806 555530961 /nfs/dbraw/zinc/53/09/61/555530961.db2.gz HGOIHULSJVEGAC-UHFFFAOYSA-N 0 0 444.272 5.296 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000000671465 555531215 /nfs/dbraw/zinc/53/12/15/555531215.db2.gz MKOQBKNPCWCOEM-UHFFFAOYSA-N 0 0 434.539 5.640 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000671392 555531274 /nfs/dbraw/zinc/53/12/74/555531274.db2.gz GMNWNSBQXGWFMW-AWEZNQCLSA-N 0 0 429.303 5.652 50 0 IKAARN CCN(CC)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000000671247 555531328 /nfs/dbraw/zinc/53/13/28/555531328.db2.gz AFCYCCORFFYIPU-UHFFFAOYSA-N 0 0 427.342 5.466 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000671913 555531688 /nfs/dbraw/zinc/53/16/88/555531688.db2.gz CBYPGKHQGWIAAD-OAHLLOKOSA-N 0 0 445.581 5.345 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F)C1CCCCC1 ZINC000000673944 555532571 /nfs/dbraw/zinc/53/25/71/555532571.db2.gz AMBGVFFJXMZQSY-JSGCOSHPSA-N 0 0 446.926 5.663 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000674329 555533061 /nfs/dbraw/zinc/53/30/61/555533061.db2.gz WXAOCTBZBNFPPE-WBMJQRKESA-N 0 0 440.809 5.051 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1OC ZINC000000674234 555533079 /nfs/dbraw/zinc/53/30/79/555533079.db2.gz NVVYBPFCKASRPT-UHFFFAOYSA-N 0 0 446.934 5.545 50 0 IKAARN O=C(NC1CCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674664 555533361 /nfs/dbraw/zinc/53/33/61/555533361.db2.gz SEYULWWBUUIQEV-HOCLYGCPSA-N 0 0 447.288 5.523 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc(C)c(Br)c2)c1C(N)=O ZINC000000674457 555533381 /nfs/dbraw/zinc/53/33/81/555533381.db2.gz WSVMWXLXWLAEHN-UHFFFAOYSA-N 0 0 443.366 5.069 50 0 IKAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000000674619 555533420 /nfs/dbraw/zinc/53/34/20/555533420.db2.gz VVMPYOUUBIRYLT-UHFFFAOYSA-N 0 0 436.577 5.654 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1Br ZINC000000674654 555533428 /nfs/dbraw/zinc/53/34/28/555533428.db2.gz XSBUZJDRJKHEJM-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674720 555533785 /nfs/dbraw/zinc/53/37/85/555533785.db2.gz LDTIVVFEFFISDE-UKRRQHHQSA-N 0 0 435.277 5.236 50 0 IKAARN O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000674976 555534049 /nfs/dbraw/zinc/53/40/49/555534049.db2.gz BUTQXSFMIXYRCH-ONGXEEELSA-N 0 0 446.216 5.091 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc(C)c1-c1ccc(C)cc1 ZINC000000675982 555534609 /nfs/dbraw/zinc/53/46/09/555534609.db2.gz SQHIUUOWVBYLIE-UHFFFAOYSA-N 0 0 439.533 5.478 50 0 IKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000676131 555534672 /nfs/dbraw/zinc/53/46/72/555534672.db2.gz XLECJXXTLYGOTO-UHFFFAOYSA-N 0 0 427.334 6.214 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C)sc(NC(=O)c2ccco2)c1C(=O)OC(C)C ZINC000000676334 555534703 /nfs/dbraw/zinc/53/47/03/555534703.db2.gz QDDHLPFQHCCHKW-UHFFFAOYSA-N 0 0 426.494 5.028 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C(N)=O ZINC000000676900 555535164 /nfs/dbraw/zinc/53/51/64/555535164.db2.gz LWZGEGSSDVHNNV-UHFFFAOYSA-N 0 0 442.968 5.034 50 0 IKAARN COc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)c1 ZINC000000678615 555536051 /nfs/dbraw/zinc/53/60/51/555536051.db2.gz ITORAXDLYYRWLR-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1cc2ccccc2o1 ZINC000000678763 555536315 /nfs/dbraw/zinc/53/63/15/555536315.db2.gz LAPHITUBWHYKKP-UHFFFAOYSA-N 0 0 429.526 5.836 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccco1 ZINC000000678808 555536325 /nfs/dbraw/zinc/53/63/25/555536325.db2.gz XKYQBXMRLYJLEM-UHFFFAOYSA-N 0 0 432.288 5.521 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 ZINC000000679844 555537121 /nfs/dbraw/zinc/53/71/21/555537121.db2.gz QBLBZFRIJURURG-UHFFFAOYSA-N 0 0 437.293 5.196 50 0 IKAARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000000679845 555537156 /nfs/dbraw/zinc/53/71/56/555537156.db2.gz GDQLHFYGVUHHAC-UHFFFAOYSA-N 0 0 425.506 5.088 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccc2c(c1)OCO2 ZINC000000680178 555537159 /nfs/dbraw/zinc/53/71/59/555537159.db2.gz FFINQIADAZZAMM-UHFFFAOYSA-N 0 0 443.571 5.839 50 0 IKAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(CC)cccc3CC)sc2c1 ZINC000000680594 555537483 /nfs/dbraw/zinc/53/74/83/555537483.db2.gz VDQJWUIZPIDFME-UHFFFAOYSA-N 0 0 427.595 5.500 50 0 IKAARN Cc1ccc2sc(-c3ccc(NC(=O)CSc4nc5ccccc5o4)cc3)nc2c1 ZINC000000681753 555537682 /nfs/dbraw/zinc/53/76/82/555537682.db2.gz KRZBELCBSFFOKL-UHFFFAOYSA-N 0 0 431.542 6.144 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000000682088 555537696 /nfs/dbraw/zinc/53/76/96/555537696.db2.gz SEIQCTATOVVOBQ-UHFFFAOYSA-N 0 0 438.336 5.249 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 ZINC000000682100 555537730 /nfs/dbraw/zinc/53/77/30/555537730.db2.gz IOMJOKMSMOVUKU-UHFFFAOYSA-N 0 0 438.336 5.249 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3cccc(C(=O)OC)c3)c3ccccc3n2)c1 ZINC000000681793 555537744 /nfs/dbraw/zinc/53/77/44/555537744.db2.gz KEDMXUIFEQLTHU-UHFFFAOYSA-N 0 0 426.472 5.339 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c(C)c1 ZINC000000682577 555538199 /nfs/dbraw/zinc/53/81/99/555538199.db2.gz IZPLKDHUPUFCLV-LBPRGKRZSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000000683024 555538561 /nfs/dbraw/zinc/53/85/61/555538561.db2.gz KTGUMCPMMSTZSN-PMACEKPBSA-N 0 0 432.520 5.115 50 0 IKAARN COc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3F)nc2O1 ZINC000000683749 555539066 /nfs/dbraw/zinc/53/90/66/555539066.db2.gz PTFLXCZBFRMDJN-JOCHJYFZSA-N 0 0 446.507 5.482 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000000684697 555539489 /nfs/dbraw/zinc/53/94/89/555539489.db2.gz CVKXLTVBYVCWOR-OAQYLSRUSA-N 0 0 438.578 5.207 50 0 IKAARN CC(C)c1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000000687320 555540371 /nfs/dbraw/zinc/54/03/71/555540371.db2.gz MDPUATGENLWQOY-UHFFFAOYSA-N 0 0 432.343 5.353 50 0 IKAARN CSc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1 ZINC000000687358 555540429 /nfs/dbraw/zinc/54/04/29/555540429.db2.gz ZMVRPETZTITRFY-UHFFFAOYSA-N 0 0 429.567 5.225 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(OC)cc1 ZINC000000689007 555541397 /nfs/dbraw/zinc/54/13/97/555541397.db2.gz ZNFGNCXHOZEGCY-UHFFFAOYSA-N 0 0 425.506 5.170 50 0 IKAARN COc1cc(NC(=O)N2CCS[C@@H]2c2cccc(Oc3ccccc3)c2)cc(OC)c1 ZINC000000691710 555541661 /nfs/dbraw/zinc/54/16/61/555541661.db2.gz WVRHGBSCBJPIJF-HSZRJFAPSA-N 0 0 436.533 5.776 50 0 IKAARN COc1cc(NC(=O)N2CCS[C@H]2c2cccc(Oc3ccccc3)c2)cc(OC)c1 ZINC000000691709 555541669 /nfs/dbraw/zinc/54/16/69/555541669.db2.gz WVRHGBSCBJPIJF-QHCPKHFHSA-N 0 0 436.533 5.776 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 ZINC000000694588 555542631 /nfs/dbraw/zinc/54/26/31/555542631.db2.gz PSZOLLPDBYLFHG-DNQXCXABSA-N 0 0 432.520 5.279 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000000702348 555542876 /nfs/dbraw/zinc/54/28/76/555542876.db2.gz KEQRVKWVVMFUJU-ZWNOBZJWSA-N 0 0 432.373 5.499 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000000701848 555542913 /nfs/dbraw/zinc/54/29/13/555542913.db2.gz AIUSDRAMUDXIMV-UHFFFAOYSA-N 0 0 445.302 5.028 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(Br)cc1 ZINC000000704127 555544362 /nfs/dbraw/zinc/54/43/62/555544362.db2.gz MPDFEBGUTDPTCY-UHFFFAOYSA-N 0 0 436.352 5.668 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(Oc3ncnc4sc5c(c43)CCCC5)cc2)c1 ZINC000000707062 555545025 /nfs/dbraw/zinc/54/50/25/555545025.db2.gz RAMMLFCTDIVASP-UHFFFAOYSA-N 0 0 431.517 5.623 50 0 IKAARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 ZINC000000706486 555545071 /nfs/dbraw/zinc/54/50/71/555545071.db2.gz DMESKGSHSCTCQG-XMMPIXPASA-N 0 0 434.536 5.160 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1cccc2ccccc21 ZINC000000707257 555545296 /nfs/dbraw/zinc/54/52/96/555545296.db2.gz AVFIXCLWHGQPEN-HXUWFJFHSA-N 0 0 427.533 5.179 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000000708657 555545687 /nfs/dbraw/zinc/54/56/87/555545687.db2.gz QRXPSSKUXATYTL-UHFFFAOYSA-N 0 0 443.590 6.103 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 ZINC000000708078 555545822 /nfs/dbraw/zinc/54/58/22/555545822.db2.gz UDGLRUCKYKVVIR-ZCOIRKDISA-N 0 0 427.931 5.609 50 0 IKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2c(Cl)cccc2Cl)n1)CCCC3 ZINC000000710243 555547063 /nfs/dbraw/zinc/54/70/63/555547063.db2.gz WLYNKQIKNUHDIJ-UHFFFAOYSA-N 0 0 438.405 5.916 50 0 IKAARN COc1cccc(Nc2nc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)cs2)c1 ZINC000000712870 555547653 /nfs/dbraw/zinc/54/76/53/555547653.db2.gz ZTAAHOUARHTYJS-UHFFFAOYSA-N 0 0 427.485 5.363 50 0 IKAARN COc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3cc(OC)ccc3n2C)cc1 ZINC000000712878 555547729 /nfs/dbraw/zinc/54/77/29/555547729.db2.gz AWGLNZYQGWUTJE-UHFFFAOYSA-N 0 0 432.545 5.528 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000000714814 555548269 /nfs/dbraw/zinc/54/82/69/555548269.db2.gz UJBSCEQIYILHIL-DEOSSOPVSA-N 0 0 441.531 5.261 50 0 biogenic IKAARN COc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1OC(=O)c1cccs1 ZINC000000716655 555548842 /nfs/dbraw/zinc/54/88/42/555548842.db2.gz SUPYVCHRVIGCDB-IBGZPJMESA-N 0 0 429.497 5.603 50 0 IKAARN C[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc34)c2C1 ZINC000000717498 555549111 /nfs/dbraw/zinc/54/91/11/555549111.db2.gz DNFAENMWYCRFCS-AWEZNQCLSA-N 0 0 425.937 6.165 50 0 IKAARN CC1(C)C(=O)[C@](C)(Cc2ccc(Br)cc2)C(=O)O[C@@H]1c1ccc(Cl)cc1 ZINC000000717936 555549187 /nfs/dbraw/zinc/54/91/87/555549187.db2.gz BYYFUQKQRQJWGX-UTKZUKDTSA-N 0 0 435.745 5.545 50 0 IKAARN CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc(F)cc2)C(=O)O[C@H]1c1ccc(Br)cc1 ZINC000000720409 555549697 /nfs/dbraw/zinc/54/96/97/555549697.db2.gz UHZJZPLJWGIJRO-PGRDOPGGSA-N 0 0 447.300 5.061 50 0 IKAARN Cc1ccccc1O[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000720507 555549733 /nfs/dbraw/zinc/54/97/33/555549733.db2.gz QWWVMSACURUBBB-FGZHOGPDSA-N 0 0 441.405 5.278 50 0 IKAARN S=C(Nc1ccccc1)Nc1cccc2c(NC(=S)Nc3ccccc3)cccc12 ZINC000000721977 555550412 /nfs/dbraw/zinc/55/04/12/555550412.db2.gz NFGWOYKYCUDGDN-UHFFFAOYSA-N 0 0 428.586 6.458 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)cc1 ZINC000000722329 555550541 /nfs/dbraw/zinc/55/05/41/555550541.db2.gz KFXDNMCCYIGLPT-UHFFFAOYSA-N 0 0 434.561 5.459 50 0 IKAARN COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc(OC)c1OC ZINC000000723900 555550773 /nfs/dbraw/zinc/55/07/73/555550773.db2.gz DAJBAAQACVTYSQ-NIYFSFCBSA-N 0 0 431.557 6.243 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000000724631 555551094 /nfs/dbraw/zinc/55/10/94/555551094.db2.gz HFKRPOSZPCMMBZ-UHFFFAOYSA-N 0 0 431.517 5.252 50 0 IKAARN O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000000727281 555551658 /nfs/dbraw/zinc/55/16/58/555551658.db2.gz OTUQZQSOXJZLJG-UHFFFAOYSA-N 0 0 431.344 5.365 50 0 IKAARN C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727023 555551674 /nfs/dbraw/zinc/55/16/74/555551674.db2.gz CVKOIJVKLFRETD-FEIQLAPHSA-N 0 0 434.322 5.780 50 0 IKAARN COc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000000729505 555552651 /nfs/dbraw/zinc/55/26/51/555552651.db2.gz IDVWAKXQPFNNCL-ZEQRLZLVSA-N 0 0 437.923 5.510 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c(C)c1 ZINC000000731773 555553214 /nfs/dbraw/zinc/55/32/14/555553214.db2.gz YDVOIXRBVOYLEJ-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nc3ccccc3c2=O)cc1 ZINC000000731794 555553219 /nfs/dbraw/zinc/55/32/19/555553219.db2.gz NVKRBPVJZYSLIW-UHFFFAOYSA-N 0 0 443.572 5.548 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)cc1 ZINC000000752710 555553497 /nfs/dbraw/zinc/55/34/97/555553497.db2.gz HFAONBQKKWOWOS-UHFFFAOYSA-N 0 0 447.556 6.104 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cc2ccccc2o1 ZINC000000754006 555553891 /nfs/dbraw/zinc/55/38/91/555553891.db2.gz UQDABZIXFPEMJD-UHFFFAOYSA-N 0 0 425.271 6.244 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1Cc1ccccc1 ZINC000000756537 555554132 /nfs/dbraw/zinc/55/41/32/555554132.db2.gz UGRPKUFZHQKDCT-RUZDIDTESA-N 0 0 429.520 5.453 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc2c(c1)OCO2)c1ccccc1OC)Cc1ccccc1 ZINC000000779471 555554435 /nfs/dbraw/zinc/55/44/35/555554435.db2.gz SRADCMOCDMFMPS-QFIPXVFZSA-N 0 0 431.532 5.385 50 0 IKAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccccc1 ZINC000000778436 555554464 /nfs/dbraw/zinc/55/44/64/555554464.db2.gz XWDDILVALCKECW-UHFFFAOYSA-N 0 0 428.897 5.001 50 0 IKAARN COc1ccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000783563 555555546 /nfs/dbraw/zinc/55/55/46/555555546.db2.gz JKIBHVCFDONATR-AREMUKBSSA-N 0 0 428.532 5.911 50 0 IKAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)N(C(C)=O)c2ccccc2CC3)c1 ZINC000000784160 555555816 /nfs/dbraw/zinc/55/58/16/555555816.db2.gz DSZOUHIRZSBDTA-UHFFFAOYSA-N 0 0 436.964 6.097 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 ZINC000000809591 555560316 /nfs/dbraw/zinc/56/03/16/555560316.db2.gz ULRKXPIQRYIOAX-UHFFFAOYSA-N 0 0 429.259 5.227 50 0 IKAARN O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000000807940 555560325 /nfs/dbraw/zinc/56/03/25/555560325.db2.gz LPTQOMHWLCYHAU-UHFFFAOYSA-N 0 0 428.435 5.591 50 0 IKAARN CCOc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc(Br)c1OC ZINC000000812925 555561104 /nfs/dbraw/zinc/56/11/04/555561104.db2.gz ZCFQUXYQGATNJI-KRWDZBQOSA-N 0 0 426.310 5.484 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1cccnc1 ZINC000000816359 555562883 /nfs/dbraw/zinc/56/28/83/555562883.db2.gz SZXZUDOZGXNDGB-UHFFFAOYSA-N 0 0 425.517 5.094 50 0 IKAARN Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)sc2cc1C ZINC000010526503 555564174 /nfs/dbraw/zinc/56/41/74/555564174.db2.gz UQWFJQOSSLSJSF-LBPRGKRZSA-N 0 0 441.405 6.107 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000824273 555564557 /nfs/dbraw/zinc/56/45/57/555564557.db2.gz UYTACWVQKYBNIB-UHFFFAOYSA-N 0 0 436.577 5.008 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827026 555565479 /nfs/dbraw/zinc/56/54/79/555565479.db2.gz WWNSOEOQJIPGDJ-UHFFFAOYSA-N 0 0 438.818 5.088 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)Nc3ccccn3)cc2)cc1)Nc1ccccn1 ZINC000000827785 555565796 /nfs/dbraw/zinc/56/57/96/555565796.db2.gz DOYKZRKFQHUTOH-UHFFFAOYSA-N 0 0 438.491 5.355 50 0 IKAARN O=C(CSCC(=O)Nc1ccccc1Oc1ccccc1)Nc1ccc2ccccc2c1 ZINC000000828951 555566032 /nfs/dbraw/zinc/56/60/32/555566032.db2.gz IOMVFLIFLZRFFU-UHFFFAOYSA-N 0 0 442.540 5.943 50 0 IKAARN Cc1oc(C(=O)Nc2ccccc2)cc1COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000000828950 555566065 /nfs/dbraw/zinc/56/60/65/555566065.db2.gz YVTLYZGZXLSGII-UHFFFAOYSA-N 0 0 426.472 5.672 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccccc1F ZINC000000831579 555566331 /nfs/dbraw/zinc/56/63/31/555566331.db2.gz HANQKQRZARKZRF-UHFFFAOYSA-N 0 0 440.496 5.185 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000000833219 555566662 /nfs/dbraw/zinc/56/66/62/555566662.db2.gz BLHORCNJAARVMN-UHFFFAOYSA-N 0 0 428.337 5.128 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1ccc(C)cc1C(C)(C)C ZINC000000839333 555567603 /nfs/dbraw/zinc/56/76/03/555567603.db2.gz LXYXECSXFVBTHR-UHFFFAOYSA-N 0 0 431.554 5.059 50 0 IKAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1C ZINC000000840156 555567925 /nfs/dbraw/zinc/56/79/25/555567925.db2.gz YKBCAWMREXGVMK-UHFFFAOYSA-N 0 0 436.577 5.139 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000000843540 555568394 /nfs/dbraw/zinc/56/83/94/555568394.db2.gz QIPZVDQHCSKCMN-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OCC)c1OCC ZINC000000847196 555569973 /nfs/dbraw/zinc/56/99/73/555569973.db2.gz KLZYRQZBDHJXNT-UHFFFAOYSA-N 0 0 445.519 5.678 50 0 IKAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3ccc(Cl)cc3)c2cc1OC ZINC000000848436 555570113 /nfs/dbraw/zinc/57/01/13/555570113.db2.gz KTZVWVZMEIIQQV-UHFFFAOYSA-N 0 0 429.907 6.220 50 0 IKAARN O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1 ZINC000000852701 555570701 /nfs/dbraw/zinc/57/07/01/555570701.db2.gz JSFWGTJJQGDXJB-UHFFFAOYSA-N 0 0 425.724 6.213 50 0 IKAARN CCOC(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 ZINC000000856338 555571032 /nfs/dbraw/zinc/57/10/32/555571032.db2.gz GRSMCIKYTKIFEF-UHFFFAOYSA-N 0 0 426.881 5.490 50 0 IKAARN CC(=O)CCc1oc2c(cc(Br)cc2Br)c1-c1ccc(C)o1 ZINC000000854330 555571036 /nfs/dbraw/zinc/57/10/36/555571036.db2.gz HVQOWDYNARPRGH-UHFFFAOYSA-N 0 0 426.104 6.048 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000000854246 555571046 /nfs/dbraw/zinc/57/10/46/555571046.db2.gz QUOLUPCNFQVBQQ-UHFFFAOYSA-N 0 0 432.570 5.219 50 0 IKAARN O=C1C[C@H](c2cccc(Br)c2)c2cc(Br)c3ccccc3c2N1 ZINC000000861056 555571878 /nfs/dbraw/zinc/57/18/78/555571878.db2.gz AZSOUADJDYQIMH-OAHLLOKOSA-N 0 0 431.127 5.839 50 0 IKAARN CCOc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1OC(=O)C1CCCCC1 ZINC000000861060 555572135 /nfs/dbraw/zinc/57/21/35/555572135.db2.gz SYDGPOBYZXAQQY-QHCPKHFHSA-N 0 0 443.543 6.198 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1ccccc1C ZINC000000861338 555572399 /nfs/dbraw/zinc/57/23/99/555572399.db2.gz PYZXARQLHJOCQI-UHFFFAOYSA-N 0 0 440.496 5.185 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(=O)c1ccco1 ZINC000000863392 555573145 /nfs/dbraw/zinc/57/31/45/555573145.db2.gz JOKKYMXZOXMJIH-UHFFFAOYSA-N 0 0 446.912 5.293 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)C1CCCCC1 ZINC000000863369 555573164 /nfs/dbraw/zinc/57/31/64/555573164.db2.gz CBBBJPUYQZRWLZ-UHFFFAOYSA-N 0 0 442.581 5.621 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(=O)C(C)(C)C ZINC000000863428 555573194 /nfs/dbraw/zinc/57/31/94/555573194.db2.gz CJGSNIRPRUZHLE-UHFFFAOYSA-N 0 0 436.961 5.432 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(=O)c1ccco1 ZINC000000863399 555573302 /nfs/dbraw/zinc/57/33/02/555573302.db2.gz XZBONOJZEFJXDF-UHFFFAOYSA-N 0 0 446.912 5.293 50 0 IKAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCCC1 ZINC000000866826 555574117 /nfs/dbraw/zinc/57/41/17/555574117.db2.gz XWUVHEDWUZMMRZ-ZBFHGGJFSA-N 0 0 447.288 5.476 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009464743 555575253 /nfs/dbraw/zinc/57/52/53/555575253.db2.gz ASYQBHWBBHDSQO-OAHLLOKOSA-N 0 0 435.480 5.787 50 0 IKAARN COc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1NC(=O)c1ccco1 ZINC000000873293 555576238 /nfs/dbraw/zinc/57/62/38/555576238.db2.gz BSFAEAUXWOANHL-UHFFFAOYSA-N 0 0 426.881 5.661 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2)cc1 ZINC000000877959 555576846 /nfs/dbraw/zinc/57/68/46/555576846.db2.gz PTXPCHOCKZXYJH-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1OC ZINC000000881538 555577486 /nfs/dbraw/zinc/57/74/86/555577486.db2.gz GMQYXDNJGUYIEY-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl ZINC000000881949 555577724 /nfs/dbraw/zinc/57/77/24/555577724.db2.gz VAYDAIGJNAAZNN-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC ZINC000000882938 555578135 /nfs/dbraw/zinc/57/81/35/555578135.db2.gz JGFWCWGZGMGGPZ-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)CCC2 ZINC000000883922 555578363 /nfs/dbraw/zinc/57/83/63/555578363.db2.gz OCYDIYVEVIMJJS-UHFFFAOYSA-N 0 0 429.467 5.382 50 0 IKAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 ZINC000000884345 555578645 /nfs/dbraw/zinc/57/86/45/555578645.db2.gz FUKUFBFQXBGCME-RTBURBONSA-N 0 0 430.430 5.113 50 0 IKAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 ZINC000000884343 555578683 /nfs/dbraw/zinc/57/86/83/555578683.db2.gz FUKUFBFQXBGCME-MOPGFXCFSA-N 0 0 430.430 5.113 50 0 IKAARN C[C@@H](NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)c1ccccc1 ZINC000000885358 555578870 /nfs/dbraw/zinc/57/88/70/555578870.db2.gz IVWSKJSGLUWAKD-CQSZACIVSA-N 0 0 443.494 5.231 50 0 IKAARN COc1ccc(CN(C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)C2CC2)cc1 ZINC000009532942 555579767 /nfs/dbraw/zinc/57/97/67/555579767.db2.gz KBDZPYJZVPGUEG-UHFFFAOYSA-N 0 0 439.515 5.525 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000000890824 555579823 /nfs/dbraw/zinc/57/98/23/555579823.db2.gz HKYSASGQCBUYAO-STQMWFEESA-N 0 0 427.467 5.183 50 0 IKAARN COc1cc(-c2nnc(-c3cc(-c4ccccc4)nc4ccccc43)o2)cc(OC)c1OC ZINC000000892602 555580058 /nfs/dbraw/zinc/58/00/58/555580058.db2.gz QOJRLTVMXFPAAL-UHFFFAOYSA-N 0 0 439.471 5.645 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccncc2)cc1 ZINC000000897277 555580605 /nfs/dbraw/zinc/58/06/05/555580605.db2.gz YUDWFIKDTVXDAK-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccncc2)cc1 ZINC000000897273 555580609 /nfs/dbraw/zinc/58/06/09/555580609.db2.gz BRSNEYWTTUPROQ-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901164 555581153 /nfs/dbraw/zinc/58/11/53/555581153.db2.gz ZXAONNRSXHJBAX-ZDUSSCGKSA-N 0 0 435.446 5.729 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(F)ccc1F ZINC000000901243 555581315 /nfs/dbraw/zinc/58/13/15/555581315.db2.gz UAXSDBPPVDBFEY-LLVKDONJSA-N 0 0 439.409 5.560 50 0 IKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl ZINC000000901750 555581326 /nfs/dbraw/zinc/58/13/26/555581326.db2.gz BFPDMOZQPWMGTO-UHFFFAOYSA-N 0 0 448.253 5.793 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1 ZINC000000907251 555582028 /nfs/dbraw/zinc/58/20/28/555582028.db2.gz ZPJAHQKIBMBWOR-UHFFFAOYSA-N 0 0 444.516 5.028 50 0 IKAARN COc1ccc(-c2oc3ncn4nc(-c5ccncc5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000000917879 555583770 /nfs/dbraw/zinc/58/37/70/555583770.db2.gz FKGWIYHFTUQBQN-UHFFFAOYSA-N 0 0 449.470 5.284 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919579 555584055 /nfs/dbraw/zinc/58/40/55/555584055.db2.gz QYUVWDDMYYQMPU-VQIMIIECSA-N 0 0 426.398 5.542 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919575 555584075 /nfs/dbraw/zinc/58/40/75/555584075.db2.gz QYUVWDDMYYQMPU-QFBILLFUSA-N 0 0 426.398 5.542 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCCC[C@H]3C)n2)cc1 ZINC000000920462 555584357 /nfs/dbraw/zinc/58/43/57/555584357.db2.gz ASZYKPGTNFOKER-CQSZACIVSA-N 0 0 439.503 5.054 50 0 IKAARN COc1ccc(N[C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000000921734 555584693 /nfs/dbraw/zinc/58/46/93/555584693.db2.gz KBTDSMFTEQFISH-JWQCQUIFSA-N 0 0 430.529 5.035 50 0 IKAARN COc1cc(Br)cc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000000934698 555585628 /nfs/dbraw/zinc/58/56/28/555585628.db2.gz GAWJMJYFQHTHOO-UTKZUKDTSA-N 0 0 443.272 5.432 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)cc(C)c2)c3=O)cc1OC ZINC000000940092 555586690 /nfs/dbraw/zinc/58/66/90/555586690.db2.gz GIOGPMSYSIARHC-UHFFFAOYSA-N 0 0 446.455 5.439 50 0 biogenic IKAARN COc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000000939920 555586723 /nfs/dbraw/zinc/58/67/23/555586723.db2.gz MUPWLWFHLATLJB-UHFFFAOYSA-N 0 0 432.090 5.091 50 0 IKAARN COc1ccc(Oc2coc3cc(O[C@H](C)C(=O)OC4CCCCC4)ccc3c2=O)cc1 ZINC000000942575 555587417 /nfs/dbraw/zinc/58/74/17/555587417.db2.gz FYGCCBSTPVVYGX-MRXNPFEDSA-N 0 0 438.476 5.237 50 0 IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(SC(F)F)cc1 ZINC000000943637 555587445 /nfs/dbraw/zinc/58/74/45/555587445.db2.gz CZRSYIYBSYRXOG-CQSZACIVSA-N 0 0 448.438 5.462 50 0 IKAARN Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Sc1ccc(Br)cc1 ZINC000000947651 555588206 /nfs/dbraw/zinc/58/82/06/555588206.db2.gz WYWMPLCZWAEQCP-UHFFFAOYSA-N 0 0 435.318 5.272 50 0 IKAARN Cc1ccc(C)c(Oc2coc3cc(O[C@H](C)C(=O)OCc4ccccc4)ccc3c2=O)c1 ZINC000000948974 555588552 /nfs/dbraw/zinc/58/85/52/555588552.db2.gz ABRYGXOYANLJLB-LJQANCHMSA-N 0 0 444.483 5.713 50 0 IKAARN CC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3ccccc3)cc21 ZINC000000950297 555588806 /nfs/dbraw/zinc/58/88/06/555588806.db2.gz YDWASFLMAPTTPD-UHFFFAOYSA-N 0 0 439.533 5.246 50 0 IKAARN O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccs1 ZINC000000950302 555588837 /nfs/dbraw/zinc/58/88/37/555588837.db2.gz AXWIJOBWQGLDCT-UHFFFAOYSA-N 0 0 443.590 5.675 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000950214 555588843 /nfs/dbraw/zinc/58/88/43/555588843.db2.gz QRLKGNWSIZKSKE-UHFFFAOYSA-N 0 0 428.410 5.284 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000951275 555589157 /nfs/dbraw/zinc/58/91/57/555589157.db2.gz YUDQHDVOTHFIBG-JQIJEIRASA-N 0 0 431.488 5.103 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000000951519 555589200 /nfs/dbraw/zinc/58/92/00/555589200.db2.gz VUJZTVPGEBKYOB-UHFFFAOYSA-N 0 0 440.765 5.735 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951168 555589212 /nfs/dbraw/zinc/58/92/12/555589212.db2.gz IHJOPVNTSLHRLN-UHFFFAOYSA-N 0 0 444.796 5.412 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCC3)cc1 ZINC000000953702 555589702 /nfs/dbraw/zinc/58/97/02/555589702.db2.gz RJOXUOJUTKTXGJ-UHFFFAOYSA-N 0 0 426.563 5.592 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000000955496 555589938 /nfs/dbraw/zinc/58/99/38/555589938.db2.gz HGQSXJOTTLAOFE-UHFFFAOYSA-N 0 0 443.330 5.826 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2ccccc2Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000955497 555590026 /nfs/dbraw/zinc/59/00/26/555590026.db2.gz MRFOZYGJPXIKOD-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(Br)cc3)c21)N1CCCCC1 ZINC000000955566 555590054 /nfs/dbraw/zinc/59/00/54/555590054.db2.gz FXCLTNXGVKYSGO-UHFFFAOYSA-N 0 0 448.411 5.225 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(Cl)cc4)c23)cc1 ZINC000000955551 555590063 /nfs/dbraw/zinc/59/00/63/555590063.db2.gz YLKGKXHRBFNIPA-UHFFFAOYSA-N 0 0 425.966 6.051 50 0 IKAARN O=C(Oc1cccc(Nc2ncnc3ccc(Br)cc32)c1)c1cccs1 ZINC000000955734 555590248 /nfs/dbraw/zinc/59/02/48/555590248.db2.gz IIOSMDKVXUOTAQ-UHFFFAOYSA-N 0 0 426.295 5.417 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4cc(Cl)ccc4Cl)c(=O)c23)cc1 ZINC000000957826 555590573 /nfs/dbraw/zinc/59/05/73/555590573.db2.gz OQSWLYIAYMDMNW-UHFFFAOYSA-N 0 0 444.343 5.379 50 0 IKAARN CCc1ccccc1NC(=O)COc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000958133 555590660 /nfs/dbraw/zinc/59/06/60/555590660.db2.gz SAAXXJNFEVIEML-UHFFFAOYSA-N 0 0 443.499 5.782 50 0 aggregator IKAARN CCOc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc(OC)cc2)c3=O)cc1 ZINC000000959604 555591033 /nfs/dbraw/zinc/59/10/33/555591033.db2.gz GLWWCLWHIOLYCI-UHFFFAOYSA-N 0 0 432.428 5.212 50 0 IKAARN O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2cccc3c2c1CC3 ZINC000000971769 555591522 /nfs/dbraw/zinc/59/15/22/555591522.db2.gz KCCVNTQXZJQDPH-UHFFFAOYSA-N 0 0 425.513 5.054 50 0 IKAARN O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccc(Cl)cc1 ZINC000000970595 555591541 /nfs/dbraw/zinc/59/15/41/555591541.db2.gz DVQYDROOYDRZDK-UUASQNMZSA-N 0 0 438.686 5.072 50 0 IKAARN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1cccs1 ZINC000000976164 555592230 /nfs/dbraw/zinc/59/22/30/555592230.db2.gz RIBKDKWNBIPRHS-UHFFFAOYSA-N 0 0 428.535 5.026 50 0 IKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000000977350 555592589 /nfs/dbraw/zinc/59/25/89/555592589.db2.gz DRLQVQHVWNXYIB-UHFFFAOYSA-N 0 0 441.318 5.362 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(F)cc1 ZINC000000980431 555593156 /nfs/dbraw/zinc/59/31/56/555593156.db2.gz KIEOZVLURDDZNS-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 ZINC000000982855 555593843 /nfs/dbraw/zinc/59/38/43/555593843.db2.gz LMMYRDHZKAHXJE-UHFFFAOYSA-N 0 0 436.577 5.206 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000982729 555593898 /nfs/dbraw/zinc/59/38/98/555593898.db2.gz ZNTIFCZYTDMHHM-AREMUKBSSA-N 0 0 430.573 5.584 50 0 IKAARN CN(c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000983168 555593948 /nfs/dbraw/zinc/59/39/48/555593948.db2.gz GXTRXFNPTWYVEO-UHFFFAOYSA-N 0 0 435.332 5.071 50 0 IKAARN COc1ccc2nc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)sc2c1 ZINC000000984149 555594205 /nfs/dbraw/zinc/59/42/05/555594205.db2.gz PSZNRQSXFAYVHJ-UHFFFAOYSA-N 0 0 448.114 5.719 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(NC(=O)CSc2ccccc2)c1C ZINC000000984794 555594381 /nfs/dbraw/zinc/59/43/81/555594381.db2.gz HWMNTHNWMDUOKD-UHFFFAOYSA-N 0 0 428.941 5.156 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 ZINC000000985952 555594467 /nfs/dbraw/zinc/59/44/67/555594467.db2.gz TUQDKSAFBYIILD-JOCHJYFZSA-N 0 0 430.595 5.198 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 ZINC000000985951 555594531 /nfs/dbraw/zinc/59/45/31/555594531.db2.gz TUQDKSAFBYIILD-QFIPXVFZSA-N 0 0 430.595 5.198 50 0 IKAARN O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000986230 555594816 /nfs/dbraw/zinc/59/48/16/555594816.db2.gz YCDYADJHCFCMJA-UHFFFAOYSA-N 0 0 428.271 5.285 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1 ZINC000000987266 555595015 /nfs/dbraw/zinc/59/50/15/555595015.db2.gz STXVORNPYJPXHE-UHFFFAOYSA-N 0 0 440.293 5.067 50 0 IKAARN Cc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4ccc(C)cc4)n3n2)cc1 ZINC000000988006 555595370 /nfs/dbraw/zinc/59/53/70/555595370.db2.gz FDEZLKHOFBPXOQ-UHFFFAOYSA-N 0 0 439.540 5.513 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000000989846 555595581 /nfs/dbraw/zinc/59/55/81/555595581.db2.gz QNPADKXAKSFPGX-HHHXNRCGSA-N 0 0 445.946 5.226 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3Cl)oc2cc1C ZINC000000989702 555595589 /nfs/dbraw/zinc/59/55/89/555595589.db2.gz MMIXBZHZVBTMOC-UHFFFAOYSA-N 0 0 445.700 6.373 50 0 IKAARN Cc1ccccc1-c1nc2cc(NC(=O)COc3ccc(Br)cc3)ccc2o1 ZINC000000989761 555595633 /nfs/dbraw/zinc/59/56/33/555595633.db2.gz NNGHEWBBPYDAEU-UHFFFAOYSA-N 0 0 437.293 5.583 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc2ccccc2c1 ZINC000000989857 555595641 /nfs/dbraw/zinc/59/56/41/555595641.db2.gz MPTQJWZZVCCVEQ-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc(OC)c1OC ZINC000000989609 555595683 /nfs/dbraw/zinc/59/56/83/555595683.db2.gz FUKCHKJLVGUURL-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000000990970 555596297 /nfs/dbraw/zinc/59/62/97/555596297.db2.gz UXDDVGFPIWAGGH-UHFFFAOYSA-N 0 0 441.380 5.247 50 0 IKAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000000991899 555596622 /nfs/dbraw/zinc/59/66/22/555596622.db2.gz MDGCZACPAIKLOQ-UHFFFAOYSA-N 0 0 425.278 5.068 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)c2)c1 ZINC000000992478 555596887 /nfs/dbraw/zinc/59/68/87/555596887.db2.gz USDIGJZNCNXQDE-OAHLLOKOSA-N 0 0 437.879 5.029 50 0 IKAARN COc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000000993065 555597105 /nfs/dbraw/zinc/59/71/05/555597105.db2.gz JSAQIKYNPTXYPJ-UHFFFAOYSA-N 0 0 430.287 5.516 50 0 IKAARN COc1cccc(C(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(C)cc32)c1 ZINC000000993086 555597117 /nfs/dbraw/zinc/59/71/17/555597117.db2.gz WUCXRSNBWVFJPX-UHFFFAOYSA-N 0 0 439.511 5.875 50 0 IKAARN COc1cccc(C(=O)COc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)c1 ZINC000000993024 555597133 /nfs/dbraw/zinc/59/71/33/555597133.db2.gz KKNGFGQDMLDIRZ-UHFFFAOYSA-N 0 0 430.287 5.516 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cc(C)ccc3n2)cc1 ZINC000000993088 555597151 /nfs/dbraw/zinc/59/71/51/555597151.db2.gz GIYBAUQPSSVWOS-UHFFFAOYSA-N 0 0 429.447 5.398 50 0 IKAARN CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)Nc3cc(OC)ccc3OC)c2c1 ZINC000000993141 555597508 /nfs/dbraw/zinc/59/75/08/555597508.db2.gz TWILCHGARZHMMZ-UHFFFAOYSA-N 0 0 442.515 5.742 50 0 IKAARN Cc1cc(Br)cc2c(C(=O)NCc3ccco3)cc(-c3cccs3)nc12 ZINC000000993373 555597765 /nfs/dbraw/zinc/59/77/65/555597765.db2.gz YGQNPKHULHRMSX-UHFFFAOYSA-N 0 0 427.323 5.557 50 0 IKAARN Cc1ccccc1NC(=O)c1cc(-c2cccs2)nc2c(C)cc(Br)cc12 ZINC000000993389 555597770 /nfs/dbraw/zinc/59/77/70/555597770.db2.gz PHMOLYJSOHLCHZ-UHFFFAOYSA-N 0 0 437.362 6.595 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc21 ZINC000000994744 555598037 /nfs/dbraw/zinc/59/80/37/555598037.db2.gz XMEHHNQBFBBGFP-UHFFFAOYSA-N 0 0 448.500 5.019 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3c(=O)o1)C[C@@H](C(C)(C)C)CC2 ZINC000000995001 555598097 /nfs/dbraw/zinc/59/80/97/555598097.db2.gz DLABSXUPCLYJJA-AWEZNQCLSA-N 0 0 439.533 5.044 50 0 IKAARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)C)c1C ZINC000000995131 555598357 /nfs/dbraw/zinc/59/83/57/555598357.db2.gz VABHHUOOYMBGFD-UHFFFAOYSA-N 0 0 436.961 5.009 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)o3)nc3ccccc31)CCC2 ZINC000000996301 555598617 /nfs/dbraw/zinc/59/86/17/555598617.db2.gz IXZQCTRPOLYGQS-UHFFFAOYSA-N 0 0 446.528 5.782 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000000997306 555598954 /nfs/dbraw/zinc/59/89/54/555598954.db2.gz MRLSDOCIPINMLD-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 ZINC000000997354 555598962 /nfs/dbraw/zinc/59/89/62/555598962.db2.gz IHDKRNSKGWPFFA-UHFFFAOYSA-N 0 0 440.543 5.454 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000000997866 555599262 /nfs/dbraw/zinc/59/92/62/555599262.db2.gz UQOABZDBGNYEAZ-UHFFFAOYSA-N 0 0 448.729 5.928 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000000999532 555599886 /nfs/dbraw/zinc/59/98/86/555599886.db2.gz SUPZVJLIBVCOPT-UHFFFAOYSA-N 0 0 425.113 5.253 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000999450 555599913 /nfs/dbraw/zinc/59/99/13/555599913.db2.gz WHLYQWVLMOSFKL-DOMZBBRYSA-N 0 0 428.773 5.181 50 0 IKAARN CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000999324 555599939 /nfs/dbraw/zinc/59/99/39/555599939.db2.gz VJVNXLNYBCOERG-UHFFFAOYSA-N 0 0 433.891 5.779 50 0 IKAARN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cc(Br)ccc1Cl ZINC000001000637 555600139 /nfs/dbraw/zinc/60/01/39/555600139.db2.gz XVLUTROIQYVHRS-UHFFFAOYSA-N 0 0 437.668 5.248 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 ZINC000001000377 555600151 /nfs/dbraw/zinc/60/01/51/555600151.db2.gz UURTVELKXITVFV-UHFFFAOYSA-N 0 0 433.533 5.587 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000999794 555600226 /nfs/dbraw/zinc/60/02/26/555600226.db2.gz BDTWZRBVEFFSPS-UHFFFAOYSA-N 0 0 429.303 5.783 50 0 IKAARN CC(C)c1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)cc1 ZINC000001002872 555600545 /nfs/dbraw/zinc/60/05/45/555600545.db2.gz QAICUAZAFFMTRS-UHFFFAOYSA-N 0 0 439.353 5.260 50 0 IKAARN COc1ccc(CCNC(=O)c2cccc(COc3ccccc3Br)c2)cc1 ZINC000001003154 555600554 /nfs/dbraw/zinc/60/05/54/555600554.db2.gz UTFATRWFEGXTKN-UHFFFAOYSA-N 0 0 440.337 5.009 50 0 IKAARN Cc1ccccc1NC(=O)COc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000001004709 555600804 /nfs/dbraw/zinc/60/08/04/555600804.db2.gz YNIDBUSUTXIBCV-PXLXIMEGSA-N 0 0 444.512 5.253 50 0 IKAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 ZINC000001009498 555601677 /nfs/dbraw/zinc/60/16/77/555601677.db2.gz PMZPXWIWNLLLIZ-NIJIEXERSA-N 0 0 435.520 5.113 50 0 biogenic IKAARN CCc1cccc2c(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)c[nH]c21 ZINC000001013162 555602333 /nfs/dbraw/zinc/60/23/33/555602333.db2.gz ACBNUXCJQCOFNV-GXHLCREISA-N 0 0 440.908 5.349 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000001017040 555602802 /nfs/dbraw/zinc/60/28/02/555602802.db2.gz VGAGNKVFIWGXNF-LLVKDONJSA-N 0 0 427.136 5.180 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2sc3nc(C)cc(C)c3c2N)o1 ZINC000001016805 555602886 /nfs/dbraw/zinc/60/28/86/555602886.db2.gz OJLVBDKQOUSJJN-SFHVURJKSA-N 0 0 430.533 5.388 50 0 IKAARN O=S(=O)(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1cccc(Cl)c1 ZINC000001023325 555604029 /nfs/dbraw/zinc/60/40/29/555604029.db2.gz NDNOIUZZXOGXEH-UHFFFAOYSA-N 0 0 443.830 5.832 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000001023280 555604046 /nfs/dbraw/zinc/60/40/46/555604046.db2.gz OUJHEICMNSTQMY-UHFFFAOYSA-N 0 0 430.308 5.434 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000001026554 555604331 /nfs/dbraw/zinc/60/43/31/555604331.db2.gz UHDQQGMPXYVEBZ-UHFFFAOYSA-N 0 0 428.241 5.170 50 0 IKAARN Fc1ccc(N(Cc2ccc3c(c2)OCO3)C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001026781 555604648 /nfs/dbraw/zinc/60/46/48/555604648.db2.gz PJQUGBXJLUQYRX-UHFFFAOYSA-N 0 0 448.441 5.977 50 0 IKAARN COc1ccc([C@H](CC(=O)c2cccs2)Sc2ccccc2N)c(Cl)c1OC ZINC000001028743 555604982 /nfs/dbraw/zinc/60/49/82/555604982.db2.gz ROFYGJXWFMYXNU-IBGZPJMESA-N 0 0 433.982 6.107 50 0 IKAARN FC(F)(F)c1c(-c2nnc(-c3ccc(Cl)cc3)o2)cnn1-c1ccc(Cl)cc1 ZINC000001029076 555605478 /nfs/dbraw/zinc/60/54/78/555605478.db2.gz XBACPMCXXIWRRW-UHFFFAOYSA-N 0 0 425.197 5.915 50 0 IKAARN Cc1nc2ccccn2c1-c1ccnc(SCC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000001031568 555605931 /nfs/dbraw/zinc/60/59/31/555605931.db2.gz GJRMXXKRDRIFOA-UHFFFAOYSA-N 0 0 428.439 5.094 50 0 IKAARN S=C(Nc1cc(Cl)ccc1Cl)N(CCc1ccccc1)CCc1ccccn1 ZINC000001033165 555606531 /nfs/dbraw/zinc/60/65/31/555606531.db2.gz AZJMDIYCQOYUDG-UHFFFAOYSA-N 0 0 430.404 5.873 50 0 IKAARN O=S(=O)(CCSc1nccc(-c2cccs2)n1)c1ccc(Cl)cc1Cl ZINC000001032703 555606597 /nfs/dbraw/zinc/60/65/97/555606597.db2.gz NALXGOPWGDSLDK-UHFFFAOYSA-N 0 0 431.391 5.078 50 0 IKAARN O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000001034001 555607348 /nfs/dbraw/zinc/60/73/48/555607348.db2.gz NZIANLAPVRHICG-UHFFFAOYSA-N 0 0 426.316 6.164 50 0 IKAARN Cc1nc(COc2ccc(C(C)(C)C)cc2)ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001035842 555608112 /nfs/dbraw/zinc/60/81/12/555608112.db2.gz KSPPAUKPJAWKPE-UHFFFAOYSA-N 0 0 430.957 5.148 50 0 IKAARN O=C(CSCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001037888 555608645 /nfs/dbraw/zinc/60/86/45/555608645.db2.gz PLCFAVVWPPSFIL-UHFFFAOYSA-N 0 0 428.145 5.010 50 0 IKAARN CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1Cl ZINC000001037736 555608787 /nfs/dbraw/zinc/60/87/87/555608787.db2.gz DKSIETXDLFBFRK-UHFFFAOYSA-N 0 0 426.869 5.246 50 0 IKAARN CSc1sc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)C(C)C ZINC000001038151 555609175 /nfs/dbraw/zinc/60/91/75/555609175.db2.gz DUSOCOWHLYLSAW-UHFFFAOYSA-N 0 0 438.518 5.315 50 0 IKAARN CCOC(=O)C[C@H]1Sc2ccccc2N=C1SCC(=O)Nc1ccc(Cl)cc1 ZINC000001039124 555609339 /nfs/dbraw/zinc/60/93/39/555609339.db2.gz SGLSOTPCRPUFGA-QGZVFWFLSA-N 0 0 434.970 5.169 50 0 IKAARN COc1ccc([C@@H]2c3ccsc3CCN2C(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001039054 555609370 /nfs/dbraw/zinc/60/93/70/555609370.db2.gz LJXABOOCDKHDGM-HXUWFJFHSA-N 0 0 449.428 6.408 50 0 IKAARN CCOC(=O)c1c(SC)nc2c(cccc2C(F)(F)F)c1Oc1ccc(OC)cc1 ZINC000001039871 555609658 /nfs/dbraw/zinc/60/96/58/555609658.db2.gz GCDWCIJHKXPCLM-UHFFFAOYSA-N 0 0 437.439 5.953 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1OC ZINC000001040257 555609662 /nfs/dbraw/zinc/60/96/62/555609662.db2.gz KMLRNOFQZSXJPH-UHFFFAOYSA-N 0 0 433.817 5.753 50 0 IKAARN Cc1c(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2c1OC(C)(C)CC2=O ZINC000001043291 555610187 /nfs/dbraw/zinc/61/01/87/555610187.db2.gz UVSHPJIBQZUWOI-UHFFFAOYSA-N 0 0 432.360 6.355 50 0 IKAARN CC(=O)N1CCc2ccc(NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)cc21 ZINC000001043176 555610224 /nfs/dbraw/zinc/61/02/24/555610224.db2.gz PRXSVCKLFMWMEJ-UHFFFAOYSA-N 0 0 430.291 5.118 50 0 IKAARN COc1ccc(CCNC(=O)[C@@H](Sc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000001042458 555610241 /nfs/dbraw/zinc/61/02/41/555610241.db2.gz DQESNENXXNZISG-QHCPKHFHSA-N 0 0 441.980 5.550 50 0 IKAARN CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)c1C ZINC000001046661 555610946 /nfs/dbraw/zinc/61/09/46/555610946.db2.gz VCWFQDJAJBIEMV-UHFFFAOYSA-N 0 0 434.540 5.607 50 0 IKAARN CCOC(=O)c1cc2c(ccnc2NCc2ccc(Cl)cc2Cl)nc1C(F)(F)F ZINC000001048003 555611434 /nfs/dbraw/zinc/61/14/34/555611434.db2.gz UWMSCOBFQTXZRE-UHFFFAOYSA-N 0 0 444.240 5.744 50 0 IKAARN CC(C)n1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000001047589 555611532 /nfs/dbraw/zinc/61/15/32/555611532.db2.gz AXMGBXBIXFIMLS-UHFFFAOYSA-N 0 0 427.879 6.020 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1c(Cl)cccc1Cl ZINC000001048754 555612039 /nfs/dbraw/zinc/61/20/39/555612039.db2.gz QYISEURZQGDMHT-UHFFFAOYSA-N 0 0 430.118 6.194 50 0 IKAARN COc1cc(CCC(C)=O)ccc1OC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000001048814 555612083 /nfs/dbraw/zinc/61/20/83/555612083.db2.gz LXIUVLOXXFPIEC-UHFFFAOYSA-N 0 0 431.847 5.192 50 0 IKAARN Cc1nn(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c(C)c1Br ZINC000001048823 555612088 /nfs/dbraw/zinc/61/20/88/555612088.db2.gz JCESDMAKDPYOJB-UHFFFAOYSA-N 0 0 429.101 5.221 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1c(N(C)C)cccc1N(C)C ZINC000001049013 555612410 /nfs/dbraw/zinc/61/24/10/555612410.db2.gz ADZADEKFZYMERU-UHFFFAOYSA-N 0 0 447.366 5.019 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001049436 555612475 /nfs/dbraw/zinc/61/24/75/555612475.db2.gz SPUQSCRFPWYDCM-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN CCOc1cc(-c2nc(-c3cc4ccccc4nc3OC)no2)cc(OCC)c1OCC ZINC000001051059 555612974 /nfs/dbraw/zinc/61/29/74/555612974.db2.gz BOVSMBNVBAREAH-UHFFFAOYSA-N 0 0 435.480 5.157 50 0 IKAARN O=C(c1ccc(I)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001051601 555613315 /nfs/dbraw/zinc/61/33/15/555613315.db2.gz QSCZJIVDXMUONV-UHFFFAOYSA-N 0 0 427.285 5.134 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cc2ccccc2o1 ZINC000001052577 555613613 /nfs/dbraw/zinc/61/36/13/555613613.db2.gz WTSDUECMYZGHCO-UHFFFAOYSA-N 0 0 436.842 6.405 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001053985 555614216 /nfs/dbraw/zinc/61/42/16/555614216.db2.gz VEHGXKVOGKRDHD-UHFFFAOYSA-N 0 0 427.504 5.955 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1sc2cccc(F)c2c1Cl ZINC000001055736 555614518 /nfs/dbraw/zinc/61/45/18/555614518.db2.gz QKNQYDCNPFRKNE-UHFFFAOYSA-N 0 0 448.350 6.461 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N2C(C)=O)cc1 ZINC000001057910 555615145 /nfs/dbraw/zinc/61/51/45/555615145.db2.gz WPMCTZAURKZCDF-DEOSSOPVSA-N 0 0 449.348 6.076 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(Br)cc2)n1Cc1ccco1 ZINC000001058132 555615168 /nfs/dbraw/zinc/61/51/68/555615168.db2.gz MPEFPYVSJSGCNK-UHFFFAOYSA-N 0 0 444.329 5.780 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N2C(C)=O)cc1 ZINC000001057911 555615203 /nfs/dbraw/zinc/61/52/03/555615203.db2.gz WPMCTZAURKZCDF-XMMPIXPASA-N 0 0 449.348 6.076 50 0 IKAARN Cc1nc2c3cc4c(nc3sc2c(SCC(=O)c2ccccc2)n1)CC(C)(C)OC4 ZINC000001058898 555615368 /nfs/dbraw/zinc/61/53/68/555615368.db2.gz FEYKJDGBJUPIGB-UHFFFAOYSA-N 0 0 435.574 5.374 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)nc3c2COC(C)(C)C3)cc1 ZINC000001060948 555616344 /nfs/dbraw/zinc/61/63/44/555616344.db2.gz ZOPNLERRDCKIOX-SFHVURJKSA-N 0 0 447.604 5.731 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)s1 ZINC000001064803 555617543 /nfs/dbraw/zinc/61/75/43/555617543.db2.gz GWLRXLDJYSRUID-NRFANRHFSA-N 0 0 432.328 5.062 50 0 IKAARN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2N2CCOCC2)c1Cl ZINC000001065782 555618173 /nfs/dbraw/zinc/61/81/73/555618173.db2.gz JZDQFINJFPZSBD-UHFFFAOYSA-N 0 0 443.758 5.118 50 0 IKAARN CCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000001065478 555618273 /nfs/dbraw/zinc/61/82/73/555618273.db2.gz TWFPSYMDOWDZNV-UHFFFAOYSA-N 0 0 442.309 5.901 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n2)cc1OC ZINC000001066729 555618788 /nfs/dbraw/zinc/61/87/88/555618788.db2.gz CRMUASUPYBSZEN-UHFFFAOYSA-N 0 0 440.908 5.993 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)cc1Cl ZINC000001067046 555619068 /nfs/dbraw/zinc/61/90/68/555619068.db2.gz QECBORRGBBUQDV-UHFFFAOYSA-N 0 0 441.944 5.028 50 0 IKAARN CCN(C(=O)CSc1nc(C)c2cc3c(cc2n1)CCC3)c1nc2ccc(C)cc2s1 ZINC000001069398 555620231 /nfs/dbraw/zinc/62/02/31/555620231.db2.gz QXMBEDXDNCJILG-UHFFFAOYSA-N 0 0 448.617 5.490 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1C ZINC000001069845 555620628 /nfs/dbraw/zinc/62/06/28/555620628.db2.gz DAYQVDVIHTUNRX-UHFFFAOYSA-N 0 0 428.488 5.628 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)s1 ZINC000001070286 555620824 /nfs/dbraw/zinc/62/08/24/555620824.db2.gz SQDZJOOWIRXVTD-HSZRJFAPSA-N 0 0 425.937 5.026 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3N3CCCC3)o2)cc1Cl ZINC000001070240 555620842 /nfs/dbraw/zinc/62/08/42/555620842.db2.gz XVKAHKUOTHFRBF-UHFFFAOYSA-N 0 0 439.968 5.635 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccc4Cl)c3N2)cc1 ZINC000001070277 555620884 /nfs/dbraw/zinc/62/08/84/555620884.db2.gz CMPXQTNSKIDVIX-OALUTQOASA-N 0 0 448.876 5.435 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000001070955 555621155 /nfs/dbraw/zinc/62/11/55/555621155.db2.gz JZRBPSHCDRZONZ-HSZRJFAPSA-N 0 0 444.289 5.140 50 0 IKAARN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1Cl ZINC000001072098 555621487 /nfs/dbraw/zinc/62/14/87/555621487.db2.gz HENCRCCNXZYWPN-LLVKDONJSA-N 0 0 431.241 5.312 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1 ZINC000001073086 555622091 /nfs/dbraw/zinc/62/20/91/555622091.db2.gz NOEHACDNMGEGEP-UHFFFAOYSA-N 0 0 432.520 5.220 50 0 IKAARN O=C(NCc1ccccc1F)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000001073655 555622560 /nfs/dbraw/zinc/62/25/60/555622560.db2.gz DRYAKTYBWXWWAC-UHFFFAOYSA-N 0 0 436.284 5.128 50 0 IKAARN COc1ccccc1CCNC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12 ZINC000001073957 555622856 /nfs/dbraw/zinc/62/28/56/555622856.db2.gz XGOIEMSBTRARSN-UHFFFAOYSA-N 0 0 431.923 5.240 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(Br)ccc3n2)cc1 ZINC000001073913 555622895 /nfs/dbraw/zinc/62/28/95/555622895.db2.gz ZIOBYQDESNGUMH-UHFFFAOYSA-N 0 0 432.321 5.298 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000001074908 555623668 /nfs/dbraw/zinc/62/36/68/555623668.db2.gz LXVZIEXUIBRGSH-UHFFFAOYSA-N 0 0 428.728 5.736 50 0 IKAARN COc1ccc(-c2csc(N3CCn4c5ccc(C)cc5c5c4[C@H]3CCC5)n2)cc1OC ZINC000001075452 555623888 /nfs/dbraw/zinc/62/38/88/555623888.db2.gz QCAAVDMBZSQLLQ-JOCHJYFZSA-N 0 0 445.588 5.988 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1)c1ccco1 ZINC000001076034 555623907 /nfs/dbraw/zinc/62/39/07/555623907.db2.gz GQMVKUKOQVEKDD-UHFFFAOYSA-N 0 0 431.300 6.306 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 ZINC000001076947 555624599 /nfs/dbraw/zinc/62/45/99/555624599.db2.gz DQTUTHHKORTUPK-UHFFFAOYSA-N 0 0 444.004 5.195 50 0 IKAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000001079595 555625553 /nfs/dbraw/zinc/62/55/53/555625553.db2.gz XJRJJPMRKMUKAP-OAHLLOKOSA-N 0 0 437.949 5.419 50 0 IKAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000001079594 555625601 /nfs/dbraw/zinc/62/56/01/555625601.db2.gz XJRJJPMRKMUKAP-HNNXBMFYSA-N 0 0 437.949 5.419 50 0 IKAARN CSc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000001080762 555625921 /nfs/dbraw/zinc/62/59/21/555625921.db2.gz RMNYILGLPJMBOM-QHCPKHFHSA-N 0 0 426.545 5.686 50 0 IKAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1ccccc1Br)CCC2 ZINC000001081023 555625979 /nfs/dbraw/zinc/62/59/79/555625979.db2.gz YDLGSZLFGXBKIH-UHFFFAOYSA-N 0 0 441.350 5.504 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CC[C@@H](C)C3)cc1 ZINC000001081627 555626162 /nfs/dbraw/zinc/62/61/62/555626162.db2.gz CZDYASPLRAODKK-MRXNPFEDSA-N 0 0 434.561 5.315 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000001094969 555627836 /nfs/dbraw/zinc/62/78/36/555627836.db2.gz IKJOZUWFPSRJKG-UHFFFAOYSA-N 0 0 444.947 5.958 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 ZINC000001097828 555628074 /nfs/dbraw/zinc/62/80/74/555628074.db2.gz YDYGGOUDFXWEMT-UHFFFAOYSA-N 0 0 426.460 5.169 50 0 IKAARN O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000001101160 555628671 /nfs/dbraw/zinc/62/86/71/555628671.db2.gz HWANHLYMRFRQHC-CAOOACKPSA-N 0 0 432.284 5.336 50 0 IKAARN O=C1N(Cc2ccccc2F)c2ccccc2[C@@]12Nc1ccccc1C(=O)N2c1ccccc1 ZINC000001100948 555628680 /nfs/dbraw/zinc/62/86/80/555628680.db2.gz SHBSECZDPRPYCH-NDEPHWFRSA-N 0 0 449.485 5.298 50 0 IKAARN O=C1N(Cc2ccccc2F)c2ccccc2[C@]12Nc1ccccc1C(=O)N2c1ccccc1 ZINC000001100947 555628691 /nfs/dbraw/zinc/62/86/91/555628691.db2.gz SHBSECZDPRPYCH-MUUNZHRXSA-N 0 0 449.485 5.298 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc2ccccc2c1 ZINC000001101094 555628783 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CC1(C)Cc2nc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)sc2C(=O)C1 ZINC000001132725 555645444 /nfs/dbraw/zinc/64/54/44/555645444.db2.gz UIYXGKNCCINGFM-UHFFFAOYSA-N 0 0 427.529 5.766 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 ZINC000001132602 555645459 /nfs/dbraw/zinc/64/54/59/555645459.db2.gz SMFYUGJLQMFUIH-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000001133284 555646056 /nfs/dbraw/zinc/64/60/56/555646056.db2.gz DSMAKEFOHMQMAS-UHFFFAOYSA-N 0 0 430.529 5.094 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001134526 555646658 /nfs/dbraw/zinc/64/66/58/555646658.db2.gz ICJYMTLBNNQGCK-UHFFFAOYSA-N 0 0 445.367 5.180 50 0 aggregator IKAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 ZINC000001136861 555647239 /nfs/dbraw/zinc/64/72/39/555647239.db2.gz AGTGNCGNCQEJRU-KRWDZBQOSA-N 0 0 438.597 5.372 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4C)sc3c2)c1 ZINC000001136969 555647501 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COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C=C/c1ccccc1Cl ZINC000001140258 555649412 /nfs/dbraw/zinc/64/94/12/555649412.db2.gz IHEQXFPYJVBKJI-OUKQBFOZSA-N 0 0 436.895 5.261 50 0 IKAARN CC(C)(C)NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1 ZINC000001140786 555649724 /nfs/dbraw/zinc/64/97/24/555649724.db2.gz DKMKCLBNKANXBG-UHFFFAOYSA-N 0 0 430.577 5.018 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1C ZINC000001142046 555650688 /nfs/dbraw/zinc/65/06/88/555650688.db2.gz KPCHLQHOMALKDK-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000001142532 555650953 /nfs/dbraw/zinc/65/09/53/555650953.db2.gz KOBUPMAKAVLUSJ-UHFFFAOYSA-N 0 0 449.256 5.110 50 0 IKAARN O=C(CSCc1ccccc1Br)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001143685 555651695 /nfs/dbraw/zinc/65/16/95/555651695.db2.gz OTYAKNLGWNGOJE-UHFFFAOYSA-N 0 0 438.696 5.993 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O ZINC000001143865 555651719 /nfs/dbraw/zinc/65/17/19/555651719.db2.gz CLTXGKLCVUCVAW-AUWJEWJLSA-N 0 0 440.702 5.058 50 0 IKAARN O=C(Nc1nc(COc2ccccc2)cs1)c1sc2cc(Cl)ccc2c1Cl ZINC000001144293 555652114 /nfs/dbraw/zinc/65/21/14/555652114.db2.gz DLPNDKUZDGERJG-UHFFFAOYSA-N 0 0 435.357 6.496 50 0 IKAARN Cc1cc(I)ccc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000001145107 555652682 /nfs/dbraw/zinc/65/26/82/555652682.db2.gz BGVRZXDILWQDBN-UHFFFAOYSA-N 0 0 431.726 5.374 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1C ZINC000001145038 555652717 /nfs/dbraw/zinc/65/27/17/555652717.db2.gz OHOUIZNVYJUJAO-UHFFFAOYSA-N 0 0 446.551 5.345 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccncc2)cc1 ZINC000001145278 555652933 /nfs/dbraw/zinc/65/29/33/555652933.db2.gz SANUAQPXYNKEAG-UHFFFAOYSA-N 0 0 443.576 5.239 50 0 IKAARN Cc1ccccc1CN(c1ccc(C(=O)Nc2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000001145571 555653064 /nfs/dbraw/zinc/65/30/64/555653064.db2.gz RAKAILHCKXTBSA-UHFFFAOYSA-N 0 0 444.556 5.367 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2sc3cc(Br)ccc3c2Cl)c1 ZINC000001146033 555653619 /nfs/dbraw/zinc/65/36/19/555653619.db2.gz MYEZAWRASZYWEO-UHFFFAOYSA-N 0 0 426.719 5.587 50 0 IKAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000001146311 555653552 /nfs/dbraw/zinc/65/35/52/555653552.db2.gz KNTQHJHKHRDZBK-UHFFFAOYSA-N 0 0 443.956 5.710 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)nc2c1 ZINC000001146354 555653748 /nfs/dbraw/zinc/65/37/48/555653748.db2.gz QHNBVYBACUFPJT-UHFFFAOYSA-N 0 0 446.503 5.644 50 0 IKAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1sccc1C ZINC000001146673 555653760 /nfs/dbraw/zinc/65/37/60/555653760.db2.gz QHKAGUMLLYYTTA-UHFFFAOYSA-N 0 0 443.546 5.175 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cc(I)ccc3Cl)sc2c1 ZINC000001147779 555654378 /nfs/dbraw/zinc/65/43/78/555654378.db2.gz OJZYDFVXPRIWLR-UHFFFAOYSA-N 0 0 428.682 5.115 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccccc1Cl ZINC000001147815 555654381 /nfs/dbraw/zinc/65/43/81/555654381.db2.gz WRHZUDJHPNGUAT-UHFFFAOYSA-N 0 0 445.924 5.515 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c1 ZINC000001148438 555654958 /nfs/dbraw/zinc/65/49/58/555654958.db2.gz SHKIUFUZNMXLAC-UHFFFAOYSA-N 0 0 431.517 5.022 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 ZINC000001149009 555655316 /nfs/dbraw/zinc/65/53/16/555655316.db2.gz UCNUXLGIEIPFHJ-UHFFFAOYSA-N 0 0 434.952 5.343 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000001149749 555655585 /nfs/dbraw/zinc/65/55/85/555655585.db2.gz RXDGFSITPRGGKS-UHFFFAOYSA-N 0 0 435.332 5.355 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1 ZINC000001150396 555656172 /nfs/dbraw/zinc/65/61/72/555656172.db2.gz DYOSVMAQGIEVNT-UHFFFAOYSA-N 0 0 428.488 5.170 50 0 IKAARN CC(C)Oc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000001150667 555656199 /nfs/dbraw/zinc/65/61/99/555656199.db2.gz SCEZJCQTRPUHOV-UHFFFAOYSA-N 0 0 434.521 5.045 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000001151921 555656916 /nfs/dbraw/zinc/65/69/16/555656916.db2.gz RJPYCHNHBPPMFW-GOSISDBHSA-N 0 0 443.908 5.024 50 0 IKAARN Cc1cc(I)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000001153032 555657508 /nfs/dbraw/zinc/65/75/08/555657508.db2.gz AQPNVQWGNCWNDC-UHFFFAOYSA-N 0 0 443.284 5.431 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000001153041 555657526 /nfs/dbraw/zinc/65/75/26/555657526.db2.gz ASHYABBIDPIVDP-UHFFFAOYSA-N 0 0 431.995 5.728 50 0 IKAARN O=C1c2ccc(Oc3ccc(Br)cc3)cc2C(=O)N1c1cccc2cccnc21 ZINC000001154131 555657794 /nfs/dbraw/zinc/65/77/94/555657794.db2.gz IDVFKXTYRNMPFT-UHFFFAOYSA-N 0 0 445.272 5.590 50 0 IKAARN COc1cc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc(OC)c1OC ZINC000001155650 555658614 /nfs/dbraw/zinc/65/86/14/555658614.db2.gz SXZUHOYTEFIBLF-UHFFFAOYSA-N 0 0 446.499 5.297 50 0 biogenic IKAARN CCc1cc2c(cc1OCC(=O)c1ccc(OC)c(OC)c1)oc(=O)cc2-c1ccccc1 ZINC000001155707 555658630 /nfs/dbraw/zinc/65/86/30/555658630.db2.gz UGFRTGDTFLKPOY-UHFFFAOYSA-N 0 0 444.483 5.301 50 0 biogenic IKAARN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3O)nc2c1 ZINC000001155609 555658684 /nfs/dbraw/zinc/65/86/84/555658684.db2.gz VYBGZBXOLGQNFV-UHFFFAOYSA-N 0 0 437.546 5.512 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)c(C)c1 ZINC000001156598 555659272 /nfs/dbraw/zinc/65/92/72/555659272.db2.gz DYXUJNSVSUDKTN-UHFFFAOYSA-N 0 0 446.985 5.100 50 0 IKAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2cccc(C(F)(F)F)c2)C1=O ZINC000001157501 555659907 /nfs/dbraw/zinc/65/99/07/555659907.db2.gz ZCCWRBLTEFECPG-XMHGGMMESA-N 0 0 438.405 5.354 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(Cl)cc1 ZINC000001158080 555660161 /nfs/dbraw/zinc/66/01/61/555660161.db2.gz MBNGMHXKMKQYBP-UHFFFAOYSA-N 0 0 440.775 5.499 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000001158813 555660473 /nfs/dbraw/zinc/66/04/73/555660473.db2.gz SNVHUWBRVYFDBC-KGENOOAVSA-N 0 0 438.405 5.354 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)NC1CCCCC1 ZINC000001159975 555661088 /nfs/dbraw/zinc/66/10/88/555661088.db2.gz HEZINMZUUBIPOF-UHFFFAOYSA-N 0 0 426.973 5.129 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c3cc2C(=O)C1 ZINC000001162028 555662390 /nfs/dbraw/zinc/66/23/90/555662390.db2.gz HJKDWHDCUBPLRE-UHFFFAOYSA-N 0 0 444.354 5.048 50 0 IKAARN CC(C)c1cc(I)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000001163387 555663028 /nfs/dbraw/zinc/66/30/28/555663028.db2.gz FDCNNRIHNMNTPY-UHFFFAOYSA-N 0 0 429.685 5.086 50 0 IKAARN Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c(C(F)(F)F)cc(=O)oc12 ZINC000001164390 555663581 /nfs/dbraw/zinc/66/35/81/555663581.db2.gz YKCDVBMIPALPEN-UHFFFAOYSA-N 0 0 441.199 5.144 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000001165552 555663849 /nfs/dbraw/zinc/66/38/49/555663849.db2.gz WYVHVXKWTYKXNE-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN Cc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)o1 ZINC000001169078 555665540 /nfs/dbraw/zinc/66/55/40/555665540.db2.gz LXNZUTPFSAVJAO-FQEVSTJZSA-N 0 0 436.924 5.889 50 0 IKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)C1CCCCC1)C1CCCCC1 ZINC000001169121 555665576 /nfs/dbraw/zinc/66/55/76/555665576.db2.gz DLFADRJHGGYWTG-UHFFFAOYSA-N 0 0 432.564 5.955 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 ZINC000001169144 555665619 /nfs/dbraw/zinc/66/56/19/555665619.db2.gz RGRKDCJERUNVKU-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000001169757 555665892 /nfs/dbraw/zinc/66/58/92/555665892.db2.gz QVPKBKLMIASJEL-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000001170140 555666143 /nfs/dbraw/zinc/66/61/43/555666143.db2.gz GGQLCIVHSDNVAF-UHFFFAOYSA-N 0 0 446.728 5.942 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000001170108 555666153 /nfs/dbraw/zinc/66/61/53/555666153.db2.gz SCZJBRYXRDNVRV-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O)c1ccccc1 ZINC000001170943 555666470 /nfs/dbraw/zinc/66/64/70/555666470.db2.gz BKGMULWMIBQTNF-UHFFFAOYSA-N 0 0 434.451 5.532 50 0 IKAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000001171109 555666751 /nfs/dbraw/zinc/66/67/51/555666751.db2.gz OJJPNXVZAYQNGW-UHFFFAOYSA-N 0 0 430.533 5.144 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1Cl ZINC000001171145 555666773 /nfs/dbraw/zinc/66/67/73/555666773.db2.gz BYNWKTQXSXQATM-UHFFFAOYSA-N 0 0 428.275 5.848 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 ZINC000001171449 555666952 /nfs/dbraw/zinc/66/69/52/555666952.db2.gz ALZCRFUFFGPXHG-UHFFFAOYSA-N 0 0 431.517 5.329 50 0 IKAARN Cc1c(NC(=O)c2ccc(CSc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001171427 555667012 /nfs/dbraw/zinc/66/70/12/555667012.db2.gz XSKOLUSDUIKHDA-UHFFFAOYSA-N 0 0 429.545 5.029 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1cc(C)ccc1C)Nc1ccc(Br)cc1-2 ZINC000001171598 555667345 /nfs/dbraw/zinc/66/73/45/555667345.db2.gz OMOADTDCGCHWON-KRWDZBQOSA-N 0 0 429.343 5.143 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCCC2)C1 ZINC000001172354 555667519 /nfs/dbraw/zinc/66/75/19/555667519.db2.gz HGDRCMFWRJXTJK-HNNXBMFYSA-N 0 0 428.573 5.527 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1Br ZINC000001173135 555668176 /nfs/dbraw/zinc/66/81/76/555668176.db2.gz MKCVBGAJOZMRJO-UHFFFAOYSA-N 0 0 448.169 5.281 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 ZINC000001173237 555668215 /nfs/dbraw/zinc/66/82/15/555668215.db2.gz IRXRLJPPJPDCFX-UHFFFAOYSA-N 0 0 431.517 5.329 50 0 IKAARN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001174190 555668611 /nfs/dbraw/zinc/66/86/11/555668611.db2.gz NIRQMHQHXAGHTI-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 ZINC000001174098 555668635 /nfs/dbraw/zinc/66/86/35/555668635.db2.gz QRUWPMSIRICSMG-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1C ZINC000001174347 555668985 /nfs/dbraw/zinc/66/89/85/555668985.db2.gz XLKGZBSSFUEKJU-UHFFFAOYSA-N 0 0 438.336 5.303 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c1 ZINC000001174579 555668994 /nfs/dbraw/zinc/66/89/94/555668994.db2.gz VJPJJFYDVIEQAV-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc2ccccc2o1 ZINC000001175569 555669457 /nfs/dbraw/zinc/66/94/57/555669457.db2.gz MZNRUJKGURHJFJ-UHFFFAOYSA-N 0 0 431.448 5.507 50 0 IKAARN CCOC(=O)c1c([C@@H]2COc3ccccc3O2)csc1NC(=S)Nc1ccccc1 ZINC000001175523 555669484 /nfs/dbraw/zinc/66/94/84/555669484.db2.gz ZRBLWBBHJIXEBY-SFHVURJKSA-N 0 0 440.546 5.246 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc2ccccc2o1 ZINC000001175647 555669496 /nfs/dbraw/zinc/66/94/96/555669496.db2.gz YAABZTVZXLHCOQ-UHFFFAOYSA-N 0 0 447.903 6.021 50 0 IKAARN CCOC(=O)c1c([C@H]2COc3ccccc3O2)csc1NC(=S)Nc1ccccc1 ZINC000001175522 555669515 /nfs/dbraw/zinc/66/95/15/555669515.db2.gz ZRBLWBBHJIXEBY-GOSISDBHSA-N 0 0 440.546 5.246 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cccs2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001176438 555669700 /nfs/dbraw/zinc/66/97/00/555669700.db2.gz WOFDUUKFPMJVPE-UHFFFAOYSA-N 0 0 427.938 5.645 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 ZINC000001175984 555669758 /nfs/dbraw/zinc/66/97/58/555669758.db2.gz MJQYWBJZOYBLTN-UHFFFAOYSA-N 0 0 443.484 5.376 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)cc1Cl ZINC000001176428 555669765 /nfs/dbraw/zinc/66/97/65/555669765.db2.gz UGKNQMHFYABSIO-UHFFFAOYSA-N 0 0 443.315 5.323 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)oc2cc1C ZINC000001176008 555669778 /nfs/dbraw/zinc/66/97/78/555669778.db2.gz HHVNXXXZKVZPBN-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Br ZINC000001176881 555669981 /nfs/dbraw/zinc/66/99/81/555669981.db2.gz XOBMTHPDNDWFSM-UHFFFAOYSA-N 0 0 445.338 5.414 50 0 IKAARN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1Cl ZINC000001176775 555670010 /nfs/dbraw/zinc/67/00/10/555670010.db2.gz VSZHBNLHAARDDB-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2cccc3ccccc32)c1)c1cccc(Br)c1 ZINC000001176567 555670032 /nfs/dbraw/zinc/67/00/32/555670032.db2.gz AUXOQHNSPAAIMJ-UHFFFAOYSA-N 0 0 445.316 6.107 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1 ZINC000001176833 555670058 /nfs/dbraw/zinc/67/00/58/555670058.db2.gz IUMHJAXDKKOYKA-UHFFFAOYSA-N 0 0 426.398 5.090 50 0 IKAARN Cc1ccc(OCC(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 ZINC000001176730 555670080 /nfs/dbraw/zinc/67/00/80/555670080.db2.gz HFHSATPFHOVIBM-UHFFFAOYSA-N 0 0 431.517 5.004 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000001177606 555670211 /nfs/dbraw/zinc/67/02/11/555670211.db2.gz JUOXEOMSLHFFQY-UHFFFAOYSA-N 0 0 438.512 5.478 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000001177250 555670231 /nfs/dbraw/zinc/67/02/31/555670231.db2.gz ZLRFOKZJSWEUFE-UHFFFAOYSA-N 0 0 435.863 5.343 50 0 IKAARN O=C(Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1)c1cccs1 ZINC000001178201 555670600 /nfs/dbraw/zinc/67/06/00/555670600.db2.gz KPWLCRYSIQKHOG-UHFFFAOYSA-N 0 0 431.542 5.280 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001177873 555670610 /nfs/dbraw/zinc/67/06/10/555670610.db2.gz MAEQERXYRIRSAP-UHFFFAOYSA-N 0 0 428.473 5.071 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)oc2c1 ZINC000001178015 555670633 /nfs/dbraw/zinc/67/06/33/555670633.db2.gz WRLHJWVIEGKSRY-UHFFFAOYSA-N 0 0 427.485 5.676 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001178679 555670792 /nfs/dbraw/zinc/67/07/92/555670792.db2.gz BCLYYFTXKYQMPF-UHFFFAOYSA-N 0 0 428.473 5.071 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001179087 555671175 /nfs/dbraw/zinc/67/11/75/555671175.db2.gz WRGUSHYIDMWIIP-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000001180541 555671351 /nfs/dbraw/zinc/67/13/51/555671351.db2.gz HJFXEJCSSBNYEM-YVLHZVERSA-N 0 0 436.302 5.223 50 0 IKAARN CCOc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000001180091 555671357 /nfs/dbraw/zinc/67/13/57/555671357.db2.gz UUSKCLUVJJTYJI-MTJSOVHGSA-N 0 0 429.513 5.496 50 0 IKAARN CCCC(=O)Nc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001180625 555671673 /nfs/dbraw/zinc/67/16/73/555671673.db2.gz XAPCUIYHSQQIMO-UHFFFAOYSA-N 0 0 431.561 5.070 50 0 IKAARN CCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000001181282 555671947 /nfs/dbraw/zinc/67/19/47/555671947.db2.gz DJDKRSXPQPYOQS-PDGQHHTCSA-N 0 0 432.339 5.474 50 0 IKAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000001181200 555671983 /nfs/dbraw/zinc/67/19/83/555671983.db2.gz UCRZPAQUYRTICP-CSKARUKUSA-N 0 0 436.364 5.258 50 0 IKAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000001181591 555672230 /nfs/dbraw/zinc/67/22/30/555672230.db2.gz BGMGYHKULNOADB-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001181822 555672253 /nfs/dbraw/zinc/67/22/53/555672253.db2.gz OLFUVTYUVKOWKK-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000001182665 555672496 /nfs/dbraw/zinc/67/24/96/555672496.db2.gz KJUMGBJBKLSMAH-VQHVLOKHSA-N 0 0 437.908 5.576 50 0 IKAARN Cc1cc(O)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1C ZINC000001182535 555672511 /nfs/dbraw/zinc/67/25/11/555672511.db2.gz KVYINHYHMYTNEC-UHFFFAOYSA-N 0 0 429.339 5.052 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000001182628 555672517 /nfs/dbraw/zinc/67/25/17/555672517.db2.gz QMFBVEYOCBUAIC-SDNWHVSQSA-N 0 0 435.936 5.119 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)C=Cc4ccco4)c3)oc2c(C)c1 ZINC000001183200 555672863 /nfs/dbraw/zinc/67/28/63/555672863.db2.gz OAGZODVNZBNHHP-CMDGGOBGSA-N 0 0 431.517 5.539 50 0 aggregator IKAARN Cc1ccc(OCC(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc1 ZINC000001184052 555673042 /nfs/dbraw/zinc/67/30/42/555673042.db2.gz HBKXSGRNZCMONS-UHFFFAOYSA-N 0 0 445.544 5.312 50 0 IKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001184713 555673437 /nfs/dbraw/zinc/67/34/37/555673437.db2.gz KHOUFVIQXFOUEH-UHFFFAOYSA-N 0 0 428.879 5.895 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccc(Cl)cc2)cc1 ZINC000001186047 555674389 /nfs/dbraw/zinc/67/43/89/555674389.db2.gz GSQPIFLPWINQFN-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN COc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000001186705 555674573 /nfs/dbraw/zinc/67/45/73/555674573.db2.gz FLZJGSLYLOAUTE-UHFFFAOYSA-N 0 0 443.286 5.828 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3Cl)oc2cc1C ZINC000001186600 555674707 /nfs/dbraw/zinc/67/47/07/555674707.db2.gz FACDGLHFHAWNSV-UHFFFAOYSA-N 0 0 441.965 5.953 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(C)c1Cl ZINC000001191591 555675745 /nfs/dbraw/zinc/67/57/45/555675745.db2.gz WYQCRZOZXVQPLD-UHFFFAOYSA-N 0 0 440.330 6.171 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 ZINC000001191679 555675825 /nfs/dbraw/zinc/67/58/25/555675825.db2.gz OYVSMFBHKMMONQ-MRXNPFEDSA-N 0 0 426.756 5.078 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000001196496 555676911 /nfs/dbraw/zinc/67/69/11/555676911.db2.gz FIDJYCFGOCOELZ-UHFFFAOYSA-N 0 0 429.451 5.107 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)c2ccc(Br)cc2)ccc1C ZINC000001196863 555677310 /nfs/dbraw/zinc/67/73/10/555677310.db2.gz FEVNDEMWYSAJOZ-UHFFFAOYSA-N 0 0 444.350 5.098 50 0 IKAARN COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 ZINC000001196892 555677323 /nfs/dbraw/zinc/67/73/23/555677323.db2.gz VGLHJIOZKVFQSR-UHFFFAOYSA-N 0 0 448.320 5.563 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 ZINC000001198358 555677660 /nfs/dbraw/zinc/67/76/60/555677660.db2.gz BHIKBBWCOXITIA-NTEUORMPSA-N 0 0 442.471 5.354 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc32)cc1 ZINC000001200464 555678236 /nfs/dbraw/zinc/67/82/36/555678236.db2.gz VAKJUCKUJDFGKK-UHFFFAOYSA-N 0 0 440.499 5.730 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccco3)nc3ccccc31)CCCCC2 ZINC000001200870 555678531 /nfs/dbraw/zinc/67/85/31/555678531.db2.gz UGZMTCZZIVOBJC-UHFFFAOYSA-N 0 0 446.528 5.864 50 0 IKAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3sc4cc(C)ccc4c3Cl)c2C(N)=O)C1 ZINC000001200775 555678539 /nfs/dbraw/zinc/67/85/39/555678539.db2.gz DAKACOSHNIEOAY-GFCCVEGCSA-N 0 0 447.025 6.181 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C(N)=O)C1 ZINC000001200964 555678542 /nfs/dbraw/zinc/67/85/42/555678542.db2.gz ZYUYNBUEZPPUQP-GFCCVEGCSA-N 0 0 434.989 5.302 50 0 IKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1 ZINC000001204104 555679656 /nfs/dbraw/zinc/67/96/56/555679656.db2.gz FCKZSVZQZCPNSS-UHFFFAOYSA-N 0 0 433.327 5.232 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(Br)o1 ZINC000001204256 555679683 /nfs/dbraw/zinc/67/96/83/555679683.db2.gz QPAAZGLIFCBEKC-UHFFFAOYSA-N 0 0 433.261 6.256 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc(Br)cc1 ZINC000001204644 555680045 /nfs/dbraw/zinc/68/00/45/555680045.db2.gz WUBJEILGZZATKX-UHFFFAOYSA-N 0 0 443.366 5.249 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000001207382 555680894 /nfs/dbraw/zinc/68/08/94/555680894.db2.gz BRKBFKJXKUIKHD-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001207070 555680898 /nfs/dbraw/zinc/68/08/98/555680898.db2.gz BIJMTDWAVQDZGA-UHFFFAOYSA-N 0 0 430.847 6.366 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1Cl ZINC000001208303 555681233 /nfs/dbraw/zinc/68/12/33/555681233.db2.gz FTCJGVZKQXOARZ-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1OC ZINC000001208160 555681285 /nfs/dbraw/zinc/68/12/85/555681285.db2.gz PANHHDGUKMHYRU-UHFFFAOYSA-N 0 0 438.867 5.052 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1Br ZINC000001210863 555682182 /nfs/dbraw/zinc/68/21/82/555682182.db2.gz ARICQFZHCAEEMY-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 ZINC000001211877 555682455 /nfs/dbraw/zinc/68/24/55/555682455.db2.gz QCNUCPNTIPADQK-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN Cc1c(NC(=O)c2ccc(Br)o2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001212899 555682710 /nfs/dbraw/zinc/68/27/10/555682710.db2.gz VBECZLJXICQZIP-UHFFFAOYSA-N 0 0 431.673 6.064 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 ZINC000001213146 555682712 /nfs/dbraw/zinc/68/27/12/555682712.db2.gz MSXLTKICSQCJJK-UHFFFAOYSA-N 0 0 438.524 5.669 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)NCCc2ccccc2)C1 ZINC000001212649 555682720 /nfs/dbraw/zinc/68/27/20/555682720.db2.gz WKVBQBPKPAUQTD-INIZCTEOSA-N 0 0 436.552 5.237 50 0 IKAARN COc1ccc(C(=O)C[C@H](c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001214021 555683354 /nfs/dbraw/zinc/68/33/54/555683354.db2.gz ZPAAPISRIUKXLR-AREMUKBSSA-N 0 0 436.573 5.915 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)cc3N2)cc1 ZINC000001214243 555683370 /nfs/dbraw/zinc/68/33/70/555683370.db2.gz WLKAGXRBMXBQOS-FUHWJXTLSA-N 0 0 436.384 5.382 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000001214304 555683380 /nfs/dbraw/zinc/68/33/80/555683380.db2.gz NLUGTMASONVSKG-JOCHJYFZSA-N 0 0 443.362 5.546 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000001214302 555683399 /nfs/dbraw/zinc/68/33/99/555683399.db2.gz NLUGTMASONVSKG-QFIPXVFZSA-N 0 0 443.362 5.546 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)C1c3ccccc3C2c2ccccc21 ZINC000001214777 555683646 /nfs/dbraw/zinc/68/36/46/555683646.db2.gz SEXLYWQKHFRDOA-PAIGMYNKSA-N 0 0 427.503 5.750 50 0 IKAARN COc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)Nc2ccc(C)cc2)cc1 ZINC000001214564 555683668 /nfs/dbraw/zinc/68/36/68/555683668.db2.gz YSXHFKMMPFVZQW-ITYLOYPMSA-N 0 0 436.511 5.566 50 0 IKAARN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(Cl)cc1Cl ZINC000001216429 555683963 /nfs/dbraw/zinc/68/39/63/555683963.db2.gz MXDFMMLRKAXDQS-UHFFFAOYSA-N 0 0 445.689 5.700 50 0 IKAARN O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000001216479 555683967 /nfs/dbraw/zinc/68/39/67/555683967.db2.gz ZVVPUUUADKWYKY-CCEZHUSRSA-N 0 0 449.466 5.992 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 ZINC000001217191 555684513 /nfs/dbraw/zinc/68/45/13/555684513.db2.gz YNEFNXMKFBMYMT-UHFFFAOYSA-N 0 0 426.900 5.500 50 0 IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000001218365 555684793 /nfs/dbraw/zinc/68/47/93/555684793.db2.gz ZUVNDOKYYWKKOC-CQSZACIVSA-N 0 0 434.361 5.166 50 0 IKAARN O=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000001218408 555684840 /nfs/dbraw/zinc/68/48/40/555684840.db2.gz DBAGSMGYVVWNQX-UHFFFAOYSA-N 0 0 426.468 5.504 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(I)cc1Cl ZINC000001218768 555685070 /nfs/dbraw/zinc/68/50/70/555685070.db2.gz CXBBZEVINJNWPT-UHFFFAOYSA-N 0 0 437.664 5.115 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1ccco1 ZINC000001218748 555685079 /nfs/dbraw/zinc/68/50/79/555685079.db2.gz ZFSKLOUPPQMLQK-UHFFFAOYSA-N 0 0 436.851 5.706 50 0 IKAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001219184 555685117 /nfs/dbraw/zinc/68/51/17/555685117.db2.gz XWCLANBMZHIDSU-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001219320 555685394 /nfs/dbraw/zinc/68/53/94/555685394.db2.gz LYZNKOYCHRSCSX-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cccc(Cl)c2C)cc1 ZINC000001219283 555685398 /nfs/dbraw/zinc/68/53/98/555685398.db2.gz IESRNFNSVNXDOT-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000001220283 555685694 /nfs/dbraw/zinc/68/56/94/555685694.db2.gz DGJXOESJKWIIPL-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN CCc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001220627 555685708 /nfs/dbraw/zinc/68/57/08/555685708.db2.gz QSZBMDHWZLJIEQ-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1C ZINC000001220828 555685979 /nfs/dbraw/zinc/68/59/79/555685979.db2.gz NLOWONOVHCNPQG-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1Br ZINC000001229575 555686285 /nfs/dbraw/zinc/68/62/85/555686285.db2.gz IHKCKHUCYOCEAZ-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)Nc1cccc(F)c1 ZINC000001242513 555687114 /nfs/dbraw/zinc/68/71/14/555687114.db2.gz TVHUJGQGAFQBQG-UHFFFAOYSA-N 0 0 425.963 5.354 50 0 IKAARN CCOc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000001254699 555687745 /nfs/dbraw/zinc/68/77/45/555687745.db2.gz YVTBVQOBIFHQPC-UHFFFAOYSA-N 0 0 430.533 5.011 50 0 IKAARN Cc1ccc(SCc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000001261216 555688120 /nfs/dbraw/zinc/68/81/20/555688120.db2.gz NKYUZLSAGGNTHF-UHFFFAOYSA-N 0 0 425.366 6.090 50 0 IKAARN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1Cl ZINC000001268748 555688680 /nfs/dbraw/zinc/68/86/80/555688680.db2.gz IBHDBKAEGXVNIY-UHFFFAOYSA-N 0 0 428.673 5.558 50 0 IKAARN Cc1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccc(OCc2ccccc2)cc1 ZINC000001324236 555690255 /nfs/dbraw/zinc/69/02/55/555690255.db2.gz WLPKNYRNYSYQFZ-UHFFFAOYSA-N 0 0 433.508 5.269 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1 ZINC000010045163 555691241 /nfs/dbraw/zinc/69/12/41/555691241.db2.gz HWLDZGOGGOEPNP-UHFFFAOYSA-N 0 0 426.900 5.035 50 0 IKAARN C[C@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000009782435 555692742 /nfs/dbraw/zinc/69/27/42/555692742.db2.gz QBAUWFZICRJTEB-JTQLQIEISA-N 0 0 437.750 5.007 50 0 IKAARN Clc1ccc(OCCn2c3ccccc3nc2SCc2nc3ccccc3[nH]2)cc1 ZINC000001408163 555693997 /nfs/dbraw/zinc/69/39/97/555693997.db2.gz SSZXLMUCWDYRKO-UHFFFAOYSA-N 0 0 434.952 5.937 50 0 IKAARN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001408314 555694050 /nfs/dbraw/zinc/69/40/50/555694050.db2.gz OSHLORLDRCVVKA-FYJGNVAPSA-N 0 0 448.906 5.021 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl ZINC000001410160 555694373 /nfs/dbraw/zinc/69/43/73/555694373.db2.gz DSFKWBGQZLEXOD-UHFFFAOYSA-N 0 0 449.721 6.160 50 0 IKAARN COC(=O)c1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(C(=O)OC)c1 ZINC000001411730 555694385 /nfs/dbraw/zinc/69/43/85/555694385.db2.gz MJYMJCDQGZUXTG-UHFFFAOYSA-N 0 0 448.258 5.079 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1Br ZINC000001413953 555694945 /nfs/dbraw/zinc/69/49/45/555694945.db2.gz PZCGOVPNUIZSOW-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H]3CCC1 ZINC000001423349 555695546 /nfs/dbraw/zinc/69/55/46/555695546.db2.gz FYEJBHLFNVNLCY-HXUWFJFHSA-N 0 0 434.483 5.050 50 0 IKAARN O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000001428261 555696097 /nfs/dbraw/zinc/69/60/97/555696097.db2.gz WDYJBPNECTWQBO-RUZDIDTESA-N 0 0 428.513 5.181 50 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5.499 50 0 IKAARN c1ccc2sc(SCc3ccc(CSc4nc5ccccc5s4)cc3)nc2c1 ZINC000001750514 555712360 /nfs/dbraw/zinc/71/23/60/555712360.db2.gz NXJDRCDNTIWJHI-UHFFFAOYSA-N 0 0 436.652 7.491 50 0 IKAARN Cc1cc(C)cc(Oc2c(=O)c3ccc(OCc4ccccc4)cc3oc2C(F)(F)F)c1 ZINC000001769094 555712949 /nfs/dbraw/zinc/71/29/49/555712949.db2.gz WARRNBYMWYPDII-UHFFFAOYSA-N 0 0 440.417 6.800 50 0 IKAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770147 555713341 /nfs/dbraw/zinc/71/33/41/555713341.db2.gz YLFWSYLKEACVPM-QGZVFWFLSA-N 0 0 438.520 5.993 50 0 IKAARN CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771703 555713423 /nfs/dbraw/zinc/71/34/23/555713423.db2.gz JQXDWCYTZWMYPY-GOSISDBHSA-N 0 0 444.483 5.971 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)c1ccc(F)cc1 ZINC000001772415 555713700 /nfs/dbraw/zinc/71/37/00/555713700.db2.gz LQNZNNFZLGVVNQ-UHFFFAOYSA-N 0 0 426.399 6.097 50 0 IKAARN CC(C)Oc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 ZINC000001775684 555714068 /nfs/dbraw/zinc/71/40/68/555714068.db2.gz VHAROQSKNWOKSW-UHFFFAOYSA-N 0 0 440.337 5.921 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1 ZINC000001776770 555714271 /nfs/dbraw/zinc/71/42/71/555714271.db2.gz ZBMOSRCUKLJFGX-RIYZIHGNSA-N 0 0 438.321 5.689 50 0 IKAARN O=c1c2c(-c3ccc(Br)cc3)csc2ncn1Cc1ccc(Cl)cc1 ZINC000001778511 555714331 /nfs/dbraw/zinc/71/43/31/555714331.db2.gz YRYPZBYUZBKNGY-UHFFFAOYSA-N 0 0 431.742 5.589 50 0 IKAARN CCCCOc1ccccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000001777750 555714342 /nfs/dbraw/zinc/71/43/42/555714342.db2.gz METUHVZBHMZGJE-GOSISDBHSA-N 0 0 438.471 5.326 50 0 IKAARN COc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)c2ccccc12 ZINC000001794438 555716295 /nfs/dbraw/zinc/71/62/95/555716295.db2.gz PZSADQHQRHSTOT-UHFFFAOYSA-N 0 0 434.300 5.471 50 0 IKAARN COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOc2ccccc2)c1 ZINC000001797119 555716597 /nfs/dbraw/zinc/71/65/97/555716597.db2.gz LJHFGDMRGIIKRM-UHFFFAOYSA-N 0 0 431.410 5.424 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 ZINC000001796039 555716659 /nfs/dbraw/zinc/71/66/59/555716659.db2.gz AMIVHAIFHNGABY-QGZVFWFLSA-N 0 0 426.651 6.868 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 ZINC000001800047 555716982 /nfs/dbraw/zinc/71/69/82/555716982.db2.gz VAMRQNQFFSYWMJ-UHFFFAOYSA-N 0 0 446.506 6.955 50 0 IKAARN Cc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000001803613 555717193 /nfs/dbraw/zinc/71/71/93/555717193.db2.gz QKVXERDXEIKVLM-IBGZPJMESA-N 0 0 442.650 5.991 50 0 IKAARN COc1ccc(-n2c3c(c(=S)nc2-c2ccc(Br)cc2)CCCC3)cc1 ZINC000001805433 555717202 /nfs/dbraw/zinc/71/72/02/555717202.db2.gz DRDNAUIXNRGAKW-UHFFFAOYSA-N 0 0 427.367 5.919 50 0 IKAARN O=c1c2ccccc2nc(-c2ccccc2Br)n1-c1cccc2ccccc21 ZINC000001803077 555717224 /nfs/dbraw/zinc/71/72/24/555717224.db2.gz BADOFUUPKUZUAO-UHFFFAOYSA-N 0 0 427.301 5.968 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@](C)(CC)OC3 ZINC000001804408 555717254 /nfs/dbraw/zinc/71/72/54/555717254.db2.gz SZRIUYDEEVGDMM-HSZRJFAPSA-N 0 0 444.622 5.589 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C(N)=O ZINC000001807191 555717576 /nfs/dbraw/zinc/71/75/76/555717576.db2.gz IUMHIUKPDIPMJX-UHFFFAOYSA-N 0 0 426.541 5.666 50 0 IKAARN CCC(CC)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001807411 555717594 /nfs/dbraw/zinc/71/75/94/555717594.db2.gz MOSAKCLIFKIKEG-UHFFFAOYSA-N 0 0 431.282 5.689 50 0 IKAARN Cc1ccc(C(C)C)cc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001810238 555717825 /nfs/dbraw/zinc/71/78/25/555717825.db2.gz LVEQRKUSZOFOJZ-UHFFFAOYSA-N 0 0 446.978 6.618 50 0 IKAARN CCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000001807988 555717845 /nfs/dbraw/zinc/71/78/45/555717845.db2.gz IMVBOINBICRNRH-UHFFFAOYSA-N 0 0 425.569 5.985 50 0 IKAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000001812755 555718128 /nfs/dbraw/zinc/71/81/28/555718128.db2.gz SAIDPIYMJXZUSY-UHFFFAOYSA-N 0 0 431.323 6.068 50 0 IKAARN CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000001813599 555718484 /nfs/dbraw/zinc/71/84/84/555718484.db2.gz XNJYWTABNWAQHU-UHFFFAOYSA-N 0 0 440.930 7.677 50 0 IKAARN CCCCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001823282 555718815 /nfs/dbraw/zinc/71/88/15/555718815.db2.gz FOOUCMPIKCEWAX-UHFFFAOYSA-N 0 0 444.644 6.413 50 0 IKAARN Cn1c2nnc(SCc3ccccc3)n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001825780 555718821 /nfs/dbraw/zinc/71/88/21/555718821.db2.gz SGCKCKYYBNVHJR-UHFFFAOYSA-N 0 0 442.588 5.145 50 0 IKAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)c(OC)c1 ZINC000001830426 555719043 /nfs/dbraw/zinc/71/90/43/555719043.db2.gz OKIAZOMAPKQHLM-HSZRJFAPSA-N 0 0 435.501 6.353 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000001829105 555719137 /nfs/dbraw/zinc/71/91/37/555719137.db2.gz KANHQGXCSSLFIC-UHFFFAOYSA-N 0 0 446.885 6.294 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1 ZINC000001837949 555719401 /nfs/dbraw/zinc/71/94/01/555719401.db2.gz VBRNZBZCSBYTFB-UHFFFAOYSA-N 0 0 445.544 5.719 50 0 IKAARN Clc1ccc(CSc2nnc(SCc3cccc4ccccc43)s2)c(Cl)c1 ZINC000001840888 555720032 /nfs/dbraw/zinc/72/00/32/555720032.db2.gz CHEAHFUQICAUKZ-UHFFFAOYSA-N 0 0 449.453 7.583 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000001840929 555720166 /nfs/dbraw/zinc/72/01/66/555720166.db2.gz URXPNSAZKZVKPI-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4ccccc4c3)c3ccccc3n2)cc1C ZINC000001847389 555720459 /nfs/dbraw/zinc/72/04/59/555720459.db2.gz RXXCHLNBYAHKHY-UHFFFAOYSA-N 0 0 445.518 6.712 50 0 IKAARN O=C(Oc1ccccc1)c1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001847867 555720534 /nfs/dbraw/zinc/72/05/34/555720534.db2.gz USTFWYAUHRVGFG-UHFFFAOYSA-N 0 0 445.474 6.340 50 0 IKAARN COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000001862149 555721622 /nfs/dbraw/zinc/72/16/22/555721622.db2.gz HOSNEHWJQPZXAN-MHZLTWQESA-N 0 0 445.515 5.198 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1sc2ccccc2c1Cl ZINC000001862403 555721632 /nfs/dbraw/zinc/72/16/32/555721632.db2.gz UWDHEUJOOHSRJG-UHFFFAOYSA-N 0 0 431.900 6.580 50 0 IKAARN Clc1ccc(-c2csc3ncnc(Oc4ccc(OCc5ccccc5)cc4)c23)cc1 ZINC000001895610 555723234 /nfs/dbraw/zinc/72/32/34/555723234.db2.gz JRCWGWYLCYNAOA-UHFFFAOYSA-N 0 0 444.943 7.383 50 0 IKAARN O=c1c2c(-c3ccccc3)csc2nc(SCc2ccc(F)cc2)n1-c1ccccc1 ZINC000001895868 555723278 /nfs/dbraw/zinc/72/32/78/555723278.db2.gz VROUTZLYKSRVCP-UHFFFAOYSA-N 0 0 444.556 6.546 50 0 IKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@@H](C)C3 ZINC000001898839 555723294 /nfs/dbraw/zinc/72/32/94/555723294.db2.gz HHVAAFUPGPGCAN-OAHLLOKOSA-N 0 0 438.622 5.358 50 0 IKAARN Cc1oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000001902670 555723491 /nfs/dbraw/zinc/72/34/91/555723491.db2.gz VWFIPZLRLPYVBC-UHFFFAOYSA-N 0 0 429.274 6.793 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000001900080 555723602 /nfs/dbraw/zinc/72/36/02/555723602.db2.gz AQSCWYPHUOEZDZ-UHFFFAOYSA-N 0 0 437.999 5.223 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCOc1ccc(C)cc1 ZINC000001904227 555723787 /nfs/dbraw/zinc/72/37/87/555723787.db2.gz GTQUGMHAFQTGAK-UHFFFAOYSA-N 0 0 448.519 5.062 50 0 IKAARN CC[C@@H](Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)C(=O)OCc1ccccc1 ZINC000001904889 555723811 /nfs/dbraw/zinc/72/38/11/555723811.db2.gz CIDKUDVRSJZCPL-HSZRJFAPSA-N 0 0 448.902 6.014 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4C(C)C)c23)cc1 ZINC000001911872 555724166 /nfs/dbraw/zinc/72/41/66/555724166.db2.gz HKBHJMZBEBBLPO-UHFFFAOYSA-N 0 0 433.602 6.521 50 0 IKAARN CCCOc1ccc(-c2csc3ncn([C@@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1 ZINC000001911967 555724438 /nfs/dbraw/zinc/72/44/38/555724438.db2.gz MXVMLUCYOVVAKG-KRWDZBQOSA-N 0 0 448.544 5.218 50 0 IKAARN O=c1c2c(-c3ccc(Br)cc3)csc2ncn1CCCc1ccccc1 ZINC000001911944 555724476 /nfs/dbraw/zinc/72/44/76/555724476.db2.gz KBMMEOPJXMUNMG-UHFFFAOYSA-N 0 0 425.351 5.520 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000001913253 555724481 /nfs/dbraw/zinc/72/44/81/555724481.db2.gz MATOASQRITYBRM-UHFFFAOYSA-N 0 0 436.596 6.013 50 0 IKAARN Cc1cc(=O)oc2cc(OC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)ccc12 ZINC000001916497 555724783 /nfs/dbraw/zinc/72/47/83/555724783.db2.gz QUXYSIRLWCKKIR-UHFFFAOYSA-N 0 0 428.484 5.412 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)c(C)c1 ZINC000001935451 555725696 /nfs/dbraw/zinc/72/56/96/555725696.db2.gz YFWMMCXYNYWOBD-UHFFFAOYSA-N 0 0 443.952 5.880 50 0 IKAARN COc1cc(-c2nnc(C3(c4ccc(Cl)cc4)CCOCC3)o2)ccc1OC(C)C ZINC000071889726 555726580 /nfs/dbraw/zinc/72/65/80/555726580.db2.gz CCQWGSHONVAABN-UHFFFAOYSA-N 0 0 428.916 5.282 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(Oc2ccccc2)c1 ZINC000002030182 555727992 /nfs/dbraw/zinc/72/79/92/555727992.db2.gz LEPYDAWMCKIRJR-UHFFFAOYSA-N 0 0 438.508 6.714 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccc(Br)c1 ZINC000002029540 555728068 /nfs/dbraw/zinc/72/80/68/555728068.db2.gz WNHDCMIOGPVCDZ-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN Cn1cc(-c2nc(-c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)c2ccccc21 ZINC000002050017 555728603 /nfs/dbraw/zinc/72/86/03/555728603.db2.gz URBOTVHCLAPOAU-UHFFFAOYSA-N 0 0 431.326 6.671 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)c1 ZINC000002050802 555728857 /nfs/dbraw/zinc/72/88/57/555728857.db2.gz PRZQVRBOOHGWFK-UHFFFAOYSA-N 0 0 436.511 7.079 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3C)oc2c(C)c1 ZINC000002050790 555728980 /nfs/dbraw/zinc/72/89/80/555728980.db2.gz ZALIBZDSTVFDSB-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002052140 555729204 /nfs/dbraw/zinc/72/92/04/555729204.db2.gz HSOQFRAPJCLBSR-UHFFFAOYSA-N 0 0 438.380 5.639 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000002052153 555729213 /nfs/dbraw/zinc/72/92/13/555729213.db2.gz LXRZEXDGTMPQKM-UHFFFAOYSA-N 0 0 436.364 6.195 50 0 IKAARN Cc1ccc(N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002053434 555729447 /nfs/dbraw/zinc/72/94/47/555729447.db2.gz MYEIOJUTKUYFDY-OAHLLOKOSA-N 0 0 436.564 5.296 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002052372 555729526 /nfs/dbraw/zinc/72/95/26/555729526.db2.gz QGAFBLOCYIRYII-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN Cc1cccc(C(=O)N[C@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)c1 ZINC000002054626 555729761 /nfs/dbraw/zinc/72/97/61/555729761.db2.gz TWAIORZXGLLPQO-HNNXBMFYSA-N 0 0 425.665 5.552 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](Nc2ccc(Cl)c(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000002054625 555729770 /nfs/dbraw/zinc/72/97/70/555729770.db2.gz BBRXWDVROGCEFJ-OAHLLOKOSA-N 0 0 426.558 5.840 50 0 IKAARN O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054609 555729792 /nfs/dbraw/zinc/72/97/92/555729792.db2.gz LPGJHLGEVWLYMU-CQSZACIVSA-N 0 0 446.976 6.185 50 0 IKAARN O=C(N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054610 555729848 /nfs/dbraw/zinc/72/98/48/555729848.db2.gz NRWPCZPPDWVLRA-AWEZNQCLSA-N 0 0 446.976 6.185 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](Nc2ccc3ccccc3c2)C(Cl)(Cl)Cl)cc1 ZINC000002054657 555730043 /nfs/dbraw/zinc/73/00/43/555730043.db2.gz UMHARGQXNAJHLK-OAQYLSRUSA-N 0 0 449.809 6.676 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002054645 555730063 /nfs/dbraw/zinc/73/00/63/555730063.db2.gz XIQAHADIJPSVQW-KRWDZBQOSA-N 0 0 434.194 6.176 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 ZINC000002056728 555730912 /nfs/dbraw/zinc/73/09/12/555730912.db2.gz AIQIQBULOZCBEW-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN O=C1N2c3ccccc3S[C@@H](c3ccccc3)C[C@@]2(c2ccccc2)C1(Cl)Cl ZINC000002057576 555731125 /nfs/dbraw/zinc/73/11/25/555731125.db2.gz JDCYQYZPZYWWID-IFMALSPDSA-N 0 0 426.368 6.340 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000002056997 555731136 /nfs/dbraw/zinc/73/11/36/555731136.db2.gz XLQVPLQCSSEKCN-UHFFFAOYSA-N 0 0 430.573 6.721 50 0 IKAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)c3ccccc3Cl)cc21 ZINC000002060184 555731729 /nfs/dbraw/zinc/73/17/29/555731729.db2.gz YKDHAQMIDQJNAS-UHFFFAOYSA-N 0 0 447.918 6.047 50 0 biogenic IKAARN COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002060891 555731986 /nfs/dbraw/zinc/73/19/86/555731986.db2.gz DHCHCMGJZYDXJE-UHFFFAOYSA-N 0 0 434.344 5.993 50 0 IKAARN O=C1C(=Nc2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000002061309 555732020 /nfs/dbraw/zinc/73/20/20/555732020.db2.gz ZUGXWFAYRFRZOC-NRFANRHFSA-N 0 0 429.734 6.731 50 0 IKAARN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000002061254 555732033 /nfs/dbraw/zinc/73/20/33/555732033.db2.gz SUCBVQHGYIMUHJ-UHFFFAOYSA-N 0 0 447.512 5.288 50 0 IKAARN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002061261 555732035 /nfs/dbraw/zinc/73/20/35/555732035.db2.gz FJNCVCMVMGIVOM-UHFFFAOYSA-N 0 0 433.913 5.119 50 0 IKAARN CC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccccc3)cc21 ZINC000002061252 555732041 /nfs/dbraw/zinc/73/20/41/555732041.db2.gz HSBGJMXNXQGRPW-UHFFFAOYSA-N 0 0 449.484 5.338 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2c(C)c1 ZINC000002061364 555732050 /nfs/dbraw/zinc/73/20/50/555732050.db2.gz UPOQJDRUGBZLRT-UHFFFAOYSA-N 0 0 442.902 7.277 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1c2c(sc1NC(=O)c1ccccc1Cl)CCCC2 ZINC000002062094 555732164 /nfs/dbraw/zinc/73/21/64/555732164.db2.gz YOQAVVPTIQGOGS-UHFFFAOYSA-N 0 0 445.371 6.438 50 0 IKAARN C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000002061729 555732327 /nfs/dbraw/zinc/73/23/27/555732327.db2.gz BRCSGKDVBDYDHH-GFCCVEGCSA-N 0 0 432.734 6.624 50 0 IKAARN Cc1ccc(-c2ccc(OC(=O)c3ccccc3I)c(C)c2)cc1 ZINC000002062738 555732511 /nfs/dbraw/zinc/73/25/11/555732511.db2.gz NXKZKEWNFGQDAU-UHFFFAOYSA-N 0 0 428.269 5.794 50 0 IKAARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000002062831 555732533 /nfs/dbraw/zinc/73/25/33/555732533.db2.gz MMHTUHHECOBIBM-CQSZACIVSA-N 0 0 448.346 6.310 50 0 IKAARN O=C(N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002066240 555733427 /nfs/dbraw/zinc/73/34/27/555733427.db2.gz KRBZQXNCVKMQGA-GOSISDBHSA-N 0 0 428.146 6.031 50 0 IKAARN Cc1ccc(OC(=O)N[C@@]2(C(Cl)(Cl)Cl)Oc3ccc(C(C)(C)C)cc3O2)cc1 ZINC000002067060 555733679 /nfs/dbraw/zinc/73/36/79/555733679.db2.gz SEJLUSNMXZOEJM-FQEVSTJZSA-N 0 0 444.742 5.876 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccs2)nc2ccccc21 ZINC000002068327 555733929 /nfs/dbraw/zinc/73/39/29/555733929.db2.gz CIBGZCXOWOGFFJ-UHFFFAOYSA-N 0 0 432.854 6.888 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002068066 555734014 /nfs/dbraw/zinc/73/40/14/555734014.db2.gz DGLNPLZFHQWNGV-UHFFFAOYSA-N 0 0 449.506 5.575 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002068927 555734044 /nfs/dbraw/zinc/73/40/44/555734044.db2.gz DAWZTTXIFBLGIR-SCOAYWHSSA-N 0 0 437.676 5.643 50 0 IKAARN O=C(Nc1cc(C(=O)NC2CCCCC2)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002069713 555734198 /nfs/dbraw/zinc/73/41/98/555734198.db2.gz DNKNHUXFHBDXNK-UHFFFAOYSA-N 0 0 432.951 6.322 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2Br)c(C)c1 ZINC000002069509 555734288 /nfs/dbraw/zinc/73/42/88/555734288.db2.gz KVCGAIULWVVRJH-UHFFFAOYSA-N 0 0 440.179 5.619 50 0 IKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC000002069805 555734538 /nfs/dbraw/zinc/73/45/38/555734538.db2.gz NOKLFHWKONXUJK-SFHVURJKSA-N 0 0 434.967 6.533 50 0 IKAARN COc1ccc(N(C)C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000002069942 555734608 /nfs/dbraw/zinc/73/46/08/555734608.db2.gz WQDNNYCOOUDQOU-UHFFFAOYSA-N 0 0 445.522 6.249 50 0 IKAARN CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000002069806 555734639 /nfs/dbraw/zinc/73/46/39/555734639.db2.gz SNULEYLCSPXQKO-SFHVURJKSA-N 0 0 429.004 6.057 50 0 IKAARN Cc1cc([C@H]2C=C(C)[C@H](c3ccccc3)N(C(=O)c3ccccc3)C2)cnc1-c1ccccc1 ZINC000002070169 555734642 /nfs/dbraw/zinc/73/46/42/555734642.db2.gz MVBXUYKCAZPUFX-MFMCTBQISA-N 0 0 444.578 6.984 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc(-c3ccccc3)nc12 ZINC000002074065 555735404 /nfs/dbraw/zinc/73/54/04/555735404.db2.gz RKZIPUUWUTUWQA-UHFFFAOYSA-N 0 0 441.600 6.515 50 0 IKAARN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3cccc(C)c3C)c2c1 ZINC000002074111 555735624 /nfs/dbraw/zinc/73/56/24/555735624.db2.gz XLPAXGQNZVAQLW-UHFFFAOYSA-N 0 0 445.563 6.346 50 0 IKAARN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3c(C)cccc3C)c2c1 ZINC000002074109 555735641 /nfs/dbraw/zinc/73/56/41/555735641.db2.gz PRTIVZHKINNHCP-UHFFFAOYSA-N 0 0 445.563 6.346 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)sc2c1 ZINC000002074710 555735659 /nfs/dbraw/zinc/73/56/59/555735659.db2.gz KYHWRQIOEHEZTO-UHFFFAOYSA-N 0 0 434.564 7.042 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000002074815 555735663 /nfs/dbraw/zinc/73/56/63/555735663.db2.gz PCHSSRHFINCSMT-UHFFFAOYSA-N 0 0 428.557 6.908 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1 ZINC000002074500 555735731 /nfs/dbraw/zinc/73/57/31/555735731.db2.gz NDDOPVCVLFIFAV-UHFFFAOYSA-N 0 0 434.609 5.722 50 0 IKAARN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(C)cc3C)c2c1 ZINC000002074110 555735752 /nfs/dbraw/zinc/73/57/52/555735752.db2.gz IALUWTRPBHWDTG-UHFFFAOYSA-N 0 0 445.563 6.346 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1C ZINC000002078776 555736284 /nfs/dbraw/zinc/73/62/84/555736284.db2.gz LGMHUOBOKWTIEV-UHFFFAOYSA-N 0 0 444.490 6.087 50 0 IKAARN O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000002078770 555736286 /nfs/dbraw/zinc/73/62/86/555736286.db2.gz UCLOGCAKWNCXCV-UHFFFAOYSA-N 0 0 444.490 6.004 50 0 IKAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)c1 ZINC000002078798 555736327 /nfs/dbraw/zinc/73/63/27/555736327.db2.gz PPGKACBPLXCCTG-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1 ZINC000002078774 555736364 /nfs/dbraw/zinc/73/63/64/555736364.db2.gz SYUCEEFQWXFCIC-UHFFFAOYSA-N 0 0 430.463 5.779 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)c3ccccc3n2)cc1 ZINC000002078816 555736589 /nfs/dbraw/zinc/73/65/89/555736589.db2.gz UYDJIAQRQDAKFQ-UHFFFAOYSA-N 0 0 444.534 7.563 50 0 IKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002078808 555736640 /nfs/dbraw/zinc/73/66/40/555736640.db2.gz KNUOYDZALGNNIK-UHFFFAOYSA-N 0 0 449.941 6.793 50 0 IKAARN CC[C@H](OC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21)C(=O)c1ccccc1 ZINC000002079113 555736837 /nfs/dbraw/zinc/73/68/37/555736837.db2.gz JCNFAIWGZRYARF-VWLOTQADSA-N 0 0 425.484 5.729 50 0 IKAARN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)Oc3ccccc3C)c2c1 ZINC000002079378 555736846 /nfs/dbraw/zinc/73/68/46/555736846.db2.gz KLHWJQJTUFHLKN-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21)c1ccccc1 ZINC000002079284 555736868 /nfs/dbraw/zinc/73/68/68/555736868.db2.gz GUQBNVOUFWJDLK-UHFFFAOYSA-N 0 0 449.550 6.989 50 0 IKAARN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002079189 555736920 /nfs/dbraw/zinc/73/69/20/555736920.db2.gz PMWXFVXULXTGHL-UHFFFAOYSA-N 0 0 432.479 6.214 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c3cccc(Cl)c3n2)cc1 ZINC000002079602 555737205 /nfs/dbraw/zinc/73/72/05/555737205.db2.gz YJUUCONSOYGPAI-INIZCTEOSA-N 0 0 445.902 5.992 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(CC)cc3)c3ccccc3n2)cc1 ZINC000002079583 555737222 /nfs/dbraw/zinc/73/72/22/555737222.db2.gz IIJTZBWBSFWYOB-UHFFFAOYSA-N 0 0 439.511 5.903 50 0 IKAARN COc1cccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)c1 ZINC000002079597 555737271 /nfs/dbraw/zinc/73/72/71/555737271.db2.gz HFUICKPARPHPNR-UHFFFAOYSA-N 0 0 431.875 5.604 50 0 IKAARN Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1C ZINC000002079721 555737463 /nfs/dbraw/zinc/73/74/63/555737463.db2.gz CCGKHRGABPXKKK-UHFFFAOYSA-N 0 0 428.315 6.124 50 0 IKAARN CCOc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3c(C)cc(C)cc32)cc1 ZINC000002079748 555737480 /nfs/dbraw/zinc/73/74/80/555737480.db2.gz UTEVDBVEHDNPFM-UHFFFAOYSA-N 0 0 444.962 7.131 50 0 IKAARN Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000002079606 555737574 /nfs/dbraw/zinc/73/75/74/555737574.db2.gz DVSCMOBHVKYZFJ-KRWDZBQOSA-N 0 0 429.903 6.292 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)cc1 ZINC000002079794 555737824 /nfs/dbraw/zinc/73/78/24/555737824.db2.gz BFNUZWUUCFTVBH-UHFFFAOYSA-N 0 0 430.935 6.823 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002080065 555737827 /nfs/dbraw/zinc/73/78/27/555737827.db2.gz JVDKPQMWTZFJSC-UHFFFAOYSA-N 0 0 442.364 5.516 50 0 IKAARN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3C)c2c1 ZINC000002079800 555737838 /nfs/dbraw/zinc/73/78/38/555737838.db2.gz DJIMMJHUFGIYCE-UHFFFAOYSA-N 0 0 445.360 6.787 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc32)cc1 ZINC000002081619 555738098 /nfs/dbraw/zinc/73/80/98/555738098.db2.gz DOUSPLVGUVFACA-GOSISDBHSA-N 0 0 440.543 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555753274 /nfs/dbraw/zinc/75/32/74/555753274.db2.gz DHDJCYCSEIZIGJ-UHFFFAOYSA-N 0 0 432.592 7.948 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002180574 555753278 /nfs/dbraw/zinc/75/32/78/555753278.db2.gz OQXOLEZPBKUMOL-UHFFFAOYSA-N 0 0 448.613 6.017 50 0 IKAARN COc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000002180108 555753296 /nfs/dbraw/zinc/75/32/96/555753296.db2.gz ATJSNIMGDIFDRD-SILNSSARSA-N 0 0 449.890 5.151 50 0 IKAARN CCOC(=O)c1nn(-c2ccc(OCC)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000002181180 555753705 /nfs/dbraw/zinc/75/37/05/555753705.db2.gz RQNRJXQBZICTQE-UHFFFAOYSA-N 0 0 440.499 5.346 50 0 IKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc(-c2ccccc2)sc1N ZINC000002181032 555753771 /nfs/dbraw/zinc/75/37/71/555753771.db2.gz XREIFVNBYKDILM-UHFFFAOYSA-N 0 0 426.998 6.221 50 0 IKAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)C(C)(C)C)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000002182414 555753968 /nfs/dbraw/zinc/75/39/68/555753968.db2.gz OUOIJYYPBATRGE-HNNXBMFYSA-N 0 0 442.625 6.145 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555755039 /nfs/dbraw/zinc/75/50/39/555755039.db2.gz YQHKSIUJNGJBGK-UHFFFAOYSA-N 0 0 428.517 5.595 50 0 IKAARN CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc21 ZINC000002184861 555755217 /nfs/dbraw/zinc/75/52/17/555755217.db2.gz QBZXOORWORWJCE-UHFFFAOYSA-N 0 0 429.538 5.424 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)c(Br)cc1Br)c1ccccc1F ZINC000002185059 555755256 /nfs/dbraw/zinc/75/52/56/555755256.db2.gz BHMVZJMIOKEOOP-UHFFFAOYSA-N 0 0 441.016 5.622 50 0 IKAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccc(C)c2)CCCCC3)cc1 ZINC000002186032 555755290 /nfs/dbraw/zinc/75/52/90/555755290.db2.gz WMCRCRFJLBWVAB-UHFFFAOYSA-N 0 0 434.561 5.839 50 0 IKAARN O=C(Oc1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000002187611 555755476 /nfs/dbraw/zinc/75/54/76/555755476.db2.gz KNERKAMUFZEDRB-UHFFFAOYSA-N 0 0 436.898 6.836 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000002186809 555755542 /nfs/dbraw/zinc/75/55/42/555755542.db2.gz NHABMFSQTJXELM-UHFFFAOYSA-N 0 0 439.342 7.351 50 0 IKAARN O=C(COC(=O)c1ccc(N2Cc3ccccc3C2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002187556 555755605 /nfs/dbraw/zinc/75/56/05/555755605.db2.gz GEMWCBOPAXLLOH-UHFFFAOYSA-N 0 0 433.507 5.914 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCCC2 ZINC000002187665 555755611 /nfs/dbraw/zinc/75/56/11/555755611.db2.gz HVHGATAKMSQBQG-UHFFFAOYSA-N 0 0 433.529 5.287 50 0 IKAARN c1ccc2c(c1)C[C@@H](O[C@@H]1Cc3ccccc3Sc3ccccc31)c1ccccc1S2 ZINC000002187346 555755616 /nfs/dbraw/zinc/75/56/16/555755616.db2.gz HCUKEBCEJKFZER-DNQXCXABSA-N 0 0 438.617 7.900 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1cccc(Br)c1)Nc1ccccc1-2 ZINC000002187969 555755937 /nfs/dbraw/zinc/75/59/37/555755937.db2.gz FHJXOMSTPAACFZ-QGZVFWFLSA-N 0 0 429.343 5.306 50 0 IKAARN COc1cc2c3c(c1)-c1c(sn(-c4cc(C)cc(C)c4)c1=S)C(C)(C)N3C(=O)C2=O ZINC000002190790 555756580 /nfs/dbraw/zinc/75/65/80/555756580.db2.gz TZFSIILQZDBMRP-UHFFFAOYSA-N 0 0 436.558 5.339 50 0 IKAARN CCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccc(N)cc1 ZINC000002200056 555757523 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IKAARN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000002223120 555759672 /nfs/dbraw/zinc/75/96/72/555759672.db2.gz VXPQCFONLQJBER-UHFFFAOYSA-N 0 0 434.590 5.348 50 0 IKAARN CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2c(F)cccc2Cl)o1 ZINC000002233526 555760571 /nfs/dbraw/zinc/76/05/71/555760571.db2.gz LIUHQOMOXBHHMD-UHFFFAOYSA-N 0 0 429.945 5.392 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000002241548 555761453 /nfs/dbraw/zinc/76/14/53/555761453.db2.gz LAJACDTVEXGRTG-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc2ccccc2o1 ZINC000002248018 555762151 /nfs/dbraw/zinc/76/21/51/555762151.db2.gz WIFFOSBVQBXLEW-UHFFFAOYSA-N 0 0 431.448 5.507 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000002248830 555762170 /nfs/dbraw/zinc/76/21/70/555762170.db2.gz YMYPYHSXTUBSDK-UHFFFAOYSA-N 0 0 443.503 6.062 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1Cc1ccc(Cl)cc1 ZINC000002251019 555762271 /nfs/dbraw/zinc/76/22/71/555762271.db2.gz VIMKROIOOBRTGF-FQEVSTJZSA-N 0 0 427.729 5.869 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002252816 555762551 /nfs/dbraw/zinc/76/25/51/555762551.db2.gz ONCNOMCVRTYXEL-DNQXCXABSA-N 0 0 444.897 5.592 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002252814 555762564 /nfs/dbraw/zinc/76/25/64/555762564.db2.gz ONCNOMCVRTYXEL-BJKOFHAPSA-N 0 0 444.897 5.592 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002252979 555762633 /nfs/dbraw/zinc/76/26/33/555762633.db2.gz HVIDBYNCYALGIW-YADHBBJMSA-N 0 0 432.936 5.514 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002254618 555762776 /nfs/dbraw/zinc/76/27/76/555762776.db2.gz CHIXXJZOTDSQMY-UHFFFAOYSA-N 0 0 446.616 6.168 50 0 IKAARN CC1(C)Cc2nc3sc4c(ncn(Cc5ccc(Cl)cc5Cl)c4=O)c3cc2CO1 ZINC000002256528 555762789 /nfs/dbraw/zinc/76/27/89/555762789.db2.gz PTIQIBHGPDIXTI-UHFFFAOYSA-N 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O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1Cl ZINC000002262714 555763716 /nfs/dbraw/zinc/76/37/16/555763716.db2.gz SRKUZSXUYHOXAO-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 ZINC000002272050 555764333 /nfs/dbraw/zinc/76/43/33/555764333.db2.gz YJPNURDNYGQFMO-KRWDZBQOSA-N 0 0 440.678 6.799 50 0 IKAARN Cc1cc(C)n(C[C@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)n1 ZINC000002273615 555764337 /nfs/dbraw/zinc/76/43/37/555764337.db2.gz DTXAUTBQXCAHFI-RUZDIDTESA-N 0 0 435.571 6.158 50 0 IKAARN COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000002274477 555764477 /nfs/dbraw/zinc/76/44/77/555764477.db2.gz WEWHRXXMDPHTKK-UHFFFAOYSA-N 0 0 428.623 5.863 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002283122 555765280 /nfs/dbraw/zinc/76/52/80/555765280.db2.gz NMRLHRPHQLTQTC-CQSZACIVSA-N 0 0 446.638 5.893 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccccc2)n1Cc1ccccc1)CCCCC3 ZINC000002289345 555765894 /nfs/dbraw/zinc/76/58/94/555765894.db2.gz MAJQHMUJQDCHKO-UHFFFAOYSA-N 0 0 432.614 6.068 50 0 IKAARN COc1ccc([C@H]2C[C@](C)(c3ccc(OC)cc3OC)Nc3ccccc3N2)c(OC)c1 ZINC000002289060 555765896 /nfs/dbraw/zinc/76/58/96/555765896.db2.gz JWVZTZOXYYWLSE-ZEQKJWHPSA-N 0 0 434.536 5.605 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(F)cc1 ZINC000002293333 555766191 /nfs/dbraw/zinc/76/61/91/555766191.db2.gz VWSNXRLKVJUYQE-UHFFFAOYSA-N 0 0 441.487 5.914 50 0 IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002294201 555766264 /nfs/dbraw/zinc/76/62/64/555766264.db2.gz DIECXKABQZFMFT-UHFFFAOYSA-N 0 0 432.475 6.389 50 0 biogenic IKAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(Cl)c1 ZINC000002298288 555766585 /nfs/dbraw/zinc/76/65/85/555766585.db2.gz YVTDMDZPXLEJOJ-UHFFFAOYSA-N 0 0 439.949 5.449 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000002302234 555766945 /nfs/dbraw/zinc/76/69/45/555766945.db2.gz UWXUHXBNNWPPEW-SFHVURJKSA-N 0 0 428.623 5.683 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1)Nc1ccc(Cl)cc1Cl ZINC000002324303 555768573 /nfs/dbraw/zinc/76/85/73/555768573.db2.gz OQRGDMJWMGRWRL-UHFFFAOYSA-N 0 0 448.162 6.387 50 0 IKAARN Cc1cc(C)cc(NC2=C[C@@H](c3cccc4ccccc43)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000002332098 555769192 /nfs/dbraw/zinc/76/91/92/555769192.db2.gz KIJUUHCEMHWADZ-LJAQVGFWSA-N 0 0 432.567 7.157 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(C)c1 ZINC000002335146 555769594 /nfs/dbraw/zinc/76/95/94/555769594.db2.gz ZRFSDQJXJMFENV-SFHVURJKSA-N 0 0 436.625 5.824 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccccc1Br ZINC000002335243 555769606 /nfs/dbraw/zinc/76/96/06/555769606.db2.gz VIMHGIIUXMJPOF-UHFFFAOYSA-N 0 0 442.165 6.056 50 0 IKAARN Cc1ccc(NC2=C[C@@H](c3cccc4ccccc43)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000002342596 555770125 /nfs/dbraw/zinc/77/01/25/555770125.db2.gz GZJAUAZVSSGULX-LJAQVGFWSA-N 0 0 432.567 7.157 50 0 IKAARN COc1cc2c(cc1NC(=O)COc1ccc(C3CCCCC3)cc1)oc1ccccc12 ZINC000002339784 555770224 /nfs/dbraw/zinc/77/02/24/555770224.db2.gz QWOJDHFIEVIENS-UHFFFAOYSA-N 0 0 429.516 6.660 50 0 IKAARN O=C(Nc1nnc(SCCOc2ccccc2)s1)Nc1ccc(Cl)cc1Cl ZINC000002345655 555770535 /nfs/dbraw/zinc/77/05/35/555770535.db2.gz GRWNQMNBEHGHIS-UHFFFAOYSA-N 0 0 441.365 5.660 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000002342824 555770559 /nfs/dbraw/zinc/77/05/59/555770559.db2.gz HTAWPMBDAHISNV-UHFFFAOYSA-N 0 0 439.924 5.223 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1Cc1ccccc1)occ3-c1ccc(-c2ccccc2)cc1 ZINC000002352435 555771092 /nfs/dbraw/zinc/77/10/92/555771092.db2.gz MRTNZSKLISVURQ-UHFFFAOYSA-N 0 0 442.514 7.772 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2C)c1 ZINC000002352621 555771103 /nfs/dbraw/zinc/77/11/03/555771103.db2.gz XAHROXRWMAOLJP-UHFFFAOYSA-N 0 0 444.560 5.100 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000002355820 555771378 /nfs/dbraw/zinc/77/13/78/555771378.db2.gz VFKUZNIFNGEWLY-UHFFFAOYSA-N 0 0 448.411 5.372 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)cc4F)c23)cc1 ZINC000002355704 555771400 /nfs/dbraw/zinc/77/14/00/555771400.db2.gz QSEOKROBFKABIS-UHFFFAOYSA-N 0 0 427.501 5.676 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)cc1 ZINC000002358560 555771578 /nfs/dbraw/zinc/77/15/78/555771578.db2.gz YCPKRXJOVHIEKS-UHFFFAOYSA-N 0 0 448.617 5.521 50 0 IKAARN COc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002363110 555772326 /nfs/dbraw/zinc/77/23/26/555772326.db2.gz ZRDZBAQJHZCETH-UHFFFAOYSA-N 0 0 437.609 5.948 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000002364461 555772340 /nfs/dbraw/zinc/77/23/40/555772340.db2.gz JOWYHJXSHXKJBI-UHFFFAOYSA-N 0 0 438.553 5.098 50 0 IKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccn2)cc1 ZINC000002364641 555772361 /nfs/dbraw/zinc/77/23/61/555772361.db2.gz LSOZEPRODUAMFF-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccccc3F)n2-c2ccc(Cl)cc2)cc1 ZINC000002368673 555772891 /nfs/dbraw/zinc/77/28/91/555772891.db2.gz LNHOLONOLZENAB-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002373315 555773245 /nfs/dbraw/zinc/77/32/45/555773245.db2.gz RRVXUTJXRBHWSH-UHFFFAOYSA-N 0 0 429.589 6.533 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)C(c1ccccc1)c1ccccc1 ZINC000002378299 555773904 /nfs/dbraw/zinc/77/39/04/555773904.db2.gz WDXZDCRWPVDPDW-UHFFFAOYSA-N 0 0 432.479 5.626 50 0 IKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)c1ccc(F)cc1 ZINC000002377096 555774045 /nfs/dbraw/zinc/77/40/45/555774045.db2.gz KAJMGIYLLXLNLZ-UHFFFAOYSA-N 0 0 426.563 6.098 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3ccccc3n2)cc1C ZINC000002383723 555774320 /nfs/dbraw/zinc/77/43/20/555774320.db2.gz VFQKXLJRHVPSFK-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccccc2Cl)n1Cc1ccco1)CCCC3 ZINC000002394206 555775328 /nfs/dbraw/zinc/77/53/28/555775328.db2.gz VNAVXHNZKCMXIZ-UHFFFAOYSA-N 0 0 442.993 5.924 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000002397039 555775468 /nfs/dbraw/zinc/77/54/68/555775468.db2.gz AADAKUDQAKHGIV-UHFFFAOYSA-N 0 0 435.574 5.796 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000002396265 555775477 /nfs/dbraw/zinc/77/54/77/555775477.db2.gz IMPMYGDEZLIRCF-UHFFFAOYSA-N 0 0 444.969 5.341 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(NCc4ccco4)c32)CO1 ZINC000002399261 555775902 /nfs/dbraw/zinc/77/59/02/555775902.db2.gz CTLYCNBHPMBMGU-UHFFFAOYSA-N 0 0 437.590 6.040 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1nccs1 ZINC000002399796 555775926 /nfs/dbraw/zinc/77/59/26/555775926.db2.gz LLIKHGLCCWWLCN-MRXNPFEDSA-N 0 0 429.284 5.306 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002409538 555776798 /nfs/dbraw/zinc/77/67/98/555776798.db2.gz XKPWTXRMDNWYDW-NHCUHLMSSA-N 0 0 436.899 5.345 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 ZINC000002414125 555777142 /nfs/dbraw/zinc/77/71/42/555777142.db2.gz XDJRQZMZOUSGSP-KRWDZBQOSA-N 0 0 426.856 5.100 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002420053 555777473 /nfs/dbraw/zinc/77/74/73/555777473.db2.gz KERSJGDMVABECF-FQEVSTJZSA-N 0 0 432.501 5.097 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000002430415 555778244 /nfs/dbraw/zinc/77/82/44/555778244.db2.gz MBOYDGUMMYEQMK-UHFFFAOYSA-N 0 0 439.515 6.202 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)n1-c1ccccc1 ZINC000002434814 555778753 /nfs/dbraw/zinc/77/87/53/555778753.db2.gz UELDZYSCKJMIJJ-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)c1 ZINC000002442232 555779332 /nfs/dbraw/zinc/77/93/32/555779332.db2.gz OKIXDDLYHZFDKE-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccccn2)cc1 ZINC000002440823 555779339 /nfs/dbraw/zinc/77/93/39/555779339.db2.gz VTHVILKBDOJWHQ-UHFFFAOYSA-N 0 0 443.576 5.492 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000002443535 555779691 /nfs/dbraw/zinc/77/96/91/555779691.db2.gz NQNCLOZHOYJHFD-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1ccccc1Br ZINC000002443338 555779718 /nfs/dbraw/zinc/77/97/18/555779718.db2.gz DMAWXQKJBQQTIZ-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000002443512 555779728 /nfs/dbraw/zinc/77/97/28/555779728.db2.gz SOVZPUOUZQXCSV-UHFFFAOYSA-N 0 0 432.549 5.441 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1 ZINC000002443555 555780031 /nfs/dbraw/zinc/78/00/31/555780031.db2.gz BKRICSGFDUBKNV-UHFFFAOYSA-N 0 0 440.878 5.368 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccccc1F ZINC000002444460 555780060 /nfs/dbraw/zinc/78/00/60/555780060.db2.gz AAEYUUXUQFYJHR-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccc(C)c2)cc1 ZINC000002444533 555780066 /nfs/dbraw/zinc/78/00/66/555780066.db2.gz CIESPCCMZKLHLH-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000002446597 555780266 /nfs/dbraw/zinc/78/02/66/555780266.db2.gz ZVLKCHSSXVLKBC-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002447633 555780559 /nfs/dbraw/zinc/78/05/59/555780559.db2.gz KTPIYDMOYXKXMH-UHFFFAOYSA-N 0 0 431.580 6.972 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2Cc2ccco2)c1 ZINC000002447268 555780611 /nfs/dbraw/zinc/78/06/11/555780611.db2.gz CTLFPAZZCDZCSS-UHFFFAOYSA-N 0 0 446.576 5.749 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2-c2ccccc2)cc1 ZINC000002447704 555780815 /nfs/dbraw/zinc/78/08/15/555780815.db2.gz CSDSLACVLJZWKC-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002448379 555780827 /nfs/dbraw/zinc/78/08/27/555780827.db2.gz BKICWWZYJGMOGJ-UHFFFAOYSA-N 0 0 428.561 5.789 50 0 IKAARN CCN(CC)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000002449201 555781122 /nfs/dbraw/zinc/78/11/22/555781122.db2.gz TULJCLIVVAVXLI-UHFFFAOYSA-N 0 0 436.625 5.501 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccc(Cl)cc2)cc1 ZINC000002449998 555781163 /nfs/dbraw/zinc/78/11/63/555781163.db2.gz JYGSISXQSLPAIM-OAQYLSRUSA-N 0 0 442.028 6.546 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002452017 555781984 /nfs/dbraw/zinc/78/19/84/555781984.db2.gz ARXXNUCXMMWIQG-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1cc(Nc2nc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)cc(OC)c1 ZINC000002452287 555782024 /nfs/dbraw/zinc/78/20/24/555782024.db2.gz WUDCGJFETRBASE-UHFFFAOYSA-N 0 0 447.491 5.083 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccccc1-c1ccccc1 ZINC000002454484 555782524 /nfs/dbraw/zinc/78/25/24/555782524.db2.gz CUHTYBCZTSJOTP-UHFFFAOYSA-N 0 0 431.586 5.968 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2Cc2ccco2)cc1 ZINC000002454347 555782560 /nfs/dbraw/zinc/78/25/60/555782560.db2.gz WNYGBTCASCUCNL-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2Cl)cc1 ZINC000002454185 555782563 /nfs/dbraw/zinc/78/25/63/555782563.db2.gz IVYZMACIEBUQPQ-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000002454475 555782604 /nfs/dbraw/zinc/78/26/04/555782604.db2.gz IYALHZRWOBMQJK-UHFFFAOYSA-N 0 0 428.876 5.051 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000002465549 555783119 /nfs/dbraw/zinc/78/31/19/555783119.db2.gz YIBMSRVLUASJEX-UHFFFAOYSA-N 0 0 449.326 5.211 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccccc3)c2)cc1 ZINC000002472192 555783226 /nfs/dbraw/zinc/78/32/26/555783226.db2.gz JMWRBQDQXPWZRK-UHFFFAOYSA-N 0 0 431.488 5.158 50 0 IKAARN Cc1cccc(-n2c(CSc3nc4ccccc4s3)nc3ccccc3c2=O)c1C ZINC000002479604 555783498 /nfs/dbraw/zinc/78/34/98/555783498.db2.gz PDRDTDBOMVAQRX-UHFFFAOYSA-N 0 0 429.570 5.905 50 0 IKAARN CCOc1ccc([C@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000002487940 555783818 /nfs/dbraw/zinc/78/38/18/555783818.db2.gz SIFZMSXCJIDILV-JWQCQUIFSA-N 0 0 426.520 5.402 50 0 IKAARN Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)C ZINC000002484247 555783927 /nfs/dbraw/zinc/78/39/27/555783927.db2.gz CJHJXUIJCTWCQG-UHFFFAOYSA-N 0 0 429.538 5.405 50 0 IKAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000002487935 555783964 /nfs/dbraw/zinc/78/39/64/555783964.db2.gz SIFZMSXCJIDILV-RPBOFIJWSA-N 0 0 426.520 5.402 50 0 IKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000002495577 555784083 /nfs/dbraw/zinc/78/40/83/555784083.db2.gz FHJZPXMUUJOWBJ-KRWDZBQOSA-N 0 0 432.682 6.479 50 0 IKAARN COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc21 ZINC000002502145 555784584 /nfs/dbraw/zinc/78/45/84/555784584.db2.gz CNFAPVOWCWDDTI-UHFFFAOYSA-N 0 0 437.517 5.605 50 0 IKAARN O=C1CSC2=NC(c3ccccc3)=C[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)N12 ZINC000002507056 555785057 /nfs/dbraw/zinc/78/50/57/555785057.db2.gz JAJFUCMHCJEDDE-XMMPIXPASA-N 0 0 448.551 5.567 50 0 IKAARN CC(C)(C)c1cc(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000002518866 555785493 /nfs/dbraw/zinc/78/54/93/555785493.db2.gz MEDHOMHFZXAFJR-UHFFFAOYSA-N 0 0 438.652 7.519 50 0 IKAARN CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12 ZINC000002526570 555785795 /nfs/dbraw/zinc/78/57/95/555785795.db2.gz QYVWBXJKZUCSNI-UHFFFAOYSA-N 0 0 438.786 6.153 50 0 IKAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000002529404 555785809 /nfs/dbraw/zinc/78/58/09/555785809.db2.gz WNWIXRBLFOBLQU-UHFFFAOYSA-N 0 0 440.286 5.134 50 0 IKAARN Cc1ccc([C@@H](CC(=O)c2cccc(Br)c2)[C@H]2CCCCCCC2=O)cc1 ZINC000002546824 555786930 /nfs/dbraw/zinc/78/69/30/555786930.db2.gz JCWYRGIMQCPZNY-FGZHOGPDSA-N 0 0 427.382 6.654 50 0 IKAARN Cc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)[C@H]2CCCCCCC2=O)cc1 ZINC000002546820 555787001 /nfs/dbraw/zinc/78/70/01/555787001.db2.gz NBFXIWLPQNJIRE-FGZHOGPDSA-N 0 0 427.382 6.654 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000002546052 555787003 /nfs/dbraw/zinc/78/70/03/555787003.db2.gz XACJMBQAKASAOS-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CCOC(=O)c1c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)sc2c1CCCC2 ZINC000002543589 555787027 /nfs/dbraw/zinc/78/70/27/555787027.db2.gz SWGAAHZRVDVRKM-UHFFFAOYSA-N 0 0 428.432 5.346 50 0 IKAARN CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000002556070 555787291 /nfs/dbraw/zinc/78/72/91/555787291.db2.gz JWLUTEHCKDTFTJ-UHFFFAOYSA-N 0 0 437.352 6.335 50 0 IKAARN C/C=C/c1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3/C=C/C)cc2)cc1 ZINC000002558991 555787295 /nfs/dbraw/zinc/78/72/95/555787295.db2.gz JRZSSQRNBKDVDD-LQIBPGRFSA-N 0 0 446.546 8.568 50 0 IKAARN CCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc21 ZINC000002577100 555788235 /nfs/dbraw/zinc/78/82/35/555788235.db2.gz CBUPGZOTUVKKAK-UHFFFAOYSA-N 0 0 426.354 6.710 50 0 IKAARN O=c1[nH]c2c(sc3nnc(-c4ccccc4)c(-c4ccccc4)c32)c(=O)n1-c1ccccc1 ZINC000002578052 555788514 /nfs/dbraw/zinc/78/85/14/555788514.db2.gz YMIXUWBRGHPWPV-UHFFFAOYSA-N 0 0 448.507 5.018 50 0 IKAARN COc1ccc(-c2c(=O)oc3ccc(Br)cc3c2-c2ccccc2)cc1OC ZINC000002581724 555788637 /nfs/dbraw/zinc/78/86/37/555788637.db2.gz IGGZIMRGVVCHEH-UHFFFAOYSA-N 0 0 437.289 5.907 50 0 IKAARN Cc1cc2oc(=O)c(-c3ccc(Br)cc3)c(-c3ccccc3)c2cc1Cl ZINC000002581725 555788674 /nfs/dbraw/zinc/78/86/74/555788674.db2.gz XJFFZHMVBKFGGK-UHFFFAOYSA-N 0 0 425.709 6.851 50 0 IKAARN CCOC(=O)[C@H](Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1)c1ccccc1 ZINC000002586401 555788987 /nfs/dbraw/zinc/78/89/87/555788987.db2.gz LYJJFSAWEXDBCK-XMMPIXPASA-N 0 0 430.456 5.152 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c(C)c1 ZINC000002591045 555789173 /nfs/dbraw/zinc/78/91/73/555789173.db2.gz FVJQEACXTUCHTM-UHFFFAOYSA-N 0 0 445.544 5.561 50 0 IKAARN CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002590821 555789213 /nfs/dbraw/zinc/78/92/13/555789213.db2.gz KALDBRYWZUSMDG-UHFFFAOYSA-N 0 0 437.352 6.335 50 0 IKAARN Cc1ccc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(-n2nc3ccccc3n2)c1 ZINC000002591027 555789217 /nfs/dbraw/zinc/78/92/17/555789217.db2.gz SEESLNDKNCTWOB-UHFFFAOYSA-N 0 0 441.575 6.543 50 0 IKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000002593733 555789462 /nfs/dbraw/zinc/78/94/62/555789462.db2.gz PILORUSHEGGPDN-OVCLIPMQSA-N 0 0 440.547 5.903 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 ZINC000002593133 555789485 /nfs/dbraw/zinc/78/94/85/555789485.db2.gz LUHVGQNWGXUDBX-UHFFFAOYSA-N 0 0 432.955 6.286 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Br ZINC000002593140 555789501 /nfs/dbraw/zinc/78/95/01/555789501.db2.gz ATZQWOSUEYMLGE-UHFFFAOYSA-N 0 0 445.382 6.131 50 0 IKAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000034679782 555790168 /nfs/dbraw/zinc/79/01/68/555790168.db2.gz SCRNODQFUJCDJJ-OAQYLSRUSA-N 0 0 426.560 5.358 50 0 IKAARN CC(C)CNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000034679866 555790675 /nfs/dbraw/zinc/79/06/75/555790675.db2.gz VFIZVQYWHSBUKB-UHFFFAOYSA-N 0 0 434.967 5.502 50 0 IKAARN C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667473 555791724 /nfs/dbraw/zinc/79/17/24/555791724.db2.gz YAXFIAZKGNUNPQ-UZTOHYMASA-N 0 0 444.550 5.019 50 0 IKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)N(C)Cc3ccccc3)cs2)s1 ZINC000034670222 555792815 /nfs/dbraw/zinc/79/28/15/555792815.db2.gz PNBCYWOOFFXKLS-UHFFFAOYSA-N 0 0 441.666 5.834 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000034679938 555793165 /nfs/dbraw/zinc/79/31/65/555793165.db2.gz SPOFOSNEBUJFNS-NRFANRHFSA-N 0 0 446.566 5.825 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)Nc1cccc(C)c1 ZINC000034672475 555793647 /nfs/dbraw/zinc/79/36/47/555793647.db2.gz PFAZNWWNDPIEHM-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccccn3)cc2)c1 ZINC000034676015 555794366 /nfs/dbraw/zinc/79/43/66/555794366.db2.gz CYHPELYOUYBOFJ-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccccn2)cc1 ZINC000034675949 555794378 /nfs/dbraw/zinc/79/43/78/555794378.db2.gz GTMYZLGEBYREIM-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN O=C(Cc1ccccc1)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002667201 555796795 /nfs/dbraw/zinc/79/67/95/555796795.db2.gz IVJOWVRLRISULB-OAHLLOKOSA-N 0 0 425.665 5.173 50 0 IKAARN COc1ccc(C(=O)N[C@@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)cc1 ZINC000002667010 555796861 /nfs/dbraw/zinc/79/68/61/555796861.db2.gz GSLCJVJPKZVGLQ-OAHLLOKOSA-N 0 0 441.664 5.252 50 0 IKAARN Cc1ccc(C(=O)N[C@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)cc1 ZINC000002672694 555797451 /nfs/dbraw/zinc/79/74/51/555797451.db2.gz COSWGVKBUYECPL-HNNXBMFYSA-N 0 0 425.665 5.552 50 0 IKAARN Cc1ccc(C)c(N[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)c1 ZINC000002678302 555797683 /nfs/dbraw/zinc/79/76/83/555797683.db2.gz GMMXKHSIYZUCJA-IBGZPJMESA-N 0 0 427.803 6.139 50 0 IKAARN O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002678275 555797739 /nfs/dbraw/zinc/79/77/39/555797739.db2.gz IJTBHYFHLJWCCA-CQSZACIVSA-N 0 0 446.083 5.897 50 0 IKAARN O=C(N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1)Sc1ccccc1 ZINC000002689712 555799125 /nfs/dbraw/zinc/79/91/25/555799125.db2.gz QXWJPVAHAPYZGN-OAHLLOKOSA-N 0 0 425.120 5.637 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000002698968 555800082 /nfs/dbraw/zinc/80/00/82/555800082.db2.gz HBAQWNRFRZDUEB-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN COc1ccc(-c2csc(Cc3nc(-c4cc5ccccc5oc4=O)cs3)n2)cc1 ZINC000002700413 555800505 /nfs/dbraw/zinc/80/05/05/555800505.db2.gz ZXAOADSKEWQMAW-UHFFFAOYSA-N 0 0 432.526 5.639 50 0 IKAARN Cc1cccc(C(=O)N[C@H](Oc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)c1 ZINC000002702003 555800740 /nfs/dbraw/zinc/80/07/40/555800740.db2.gz LFADNAHZQLZPQZ-OAHLLOKOSA-N 0 0 427.542 5.807 50 0 IKAARN Brc1ccc(-c2cc(-c3nnc(-c4ccccc4)o3)c3ccccc3n2)cc1 ZINC000002711794 555801100 /nfs/dbraw/zinc/80/11/00/555801100.db2.gz UAMHTNXKFQEWDC-UHFFFAOYSA-N 0 0 428.289 6.381 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1cccc(CC(=O)NCc2ccccn2)c1 ZINC000034686528 555801526 /nfs/dbraw/zinc/80/15/26/555801526.db2.gz HUPOURWSWFURFN-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN Cc1ccccc1NC(=S)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002726735 555803150 /nfs/dbraw/zinc/80/31/50/555803150.db2.gz HDGHPJJJOCXIGF-UHFFFAOYSA-N 0 0 431.948 5.990 50 0 IKAARN Cc1ccccc1Cn1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000002732973 555805085 /nfs/dbraw/zinc/80/50/85/555805085.db2.gz LFDGFHKWOJTARU-UHFFFAOYSA-N 0 0 426.589 5.639 50 0 IKAARN S=C(Nc1cnn(Cc2cccc(Cl)c2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002732766 555805107 /nfs/dbraw/zinc/80/51/07/555805107.db2.gz GUEXXICYIDNJEP-UHFFFAOYSA-N 0 0 447.007 5.984 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)c1 ZINC000002734200 555805735 /nfs/dbraw/zinc/80/57/35/555805735.db2.gz BJCHNDPKPVSADG-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000002736957 555806609 /nfs/dbraw/zinc/80/66/09/555806609.db2.gz QRDODPVGAOWNML-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 ZINC000002737581 555806761 /nfs/dbraw/zinc/80/67/61/555806761.db2.gz LQTCGIHAAVMIIQ-UHFFFAOYSA-N 0 0 444.534 7.509 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccco3)nc3ccccc31)C[C@@H](C)CC2 ZINC000002738409 555806787 /nfs/dbraw/zinc/80/67/87/555806787.db2.gz SXBMRKLUHULRMU-AWEZNQCLSA-N 0 0 446.528 5.720 50 0 IKAARN Cc1cccc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)c1C ZINC000002737418 555806794 /nfs/dbraw/zinc/80/67/94/555806794.db2.gz BUTPIOIQZAHKJB-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN Cc1cccc(COc2ccccc2/C=C2\N=C(c3ccccc3Br)OC2=O)c1 ZINC000002739715 555807133 /nfs/dbraw/zinc/80/71/33/555807133.db2.gz MIVPOFOIOIMMRJ-STZFKDTASA-N 0 0 448.316 5.681 50 0 IKAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(=O)OC(C)C ZINC000002740293 555807338 /nfs/dbraw/zinc/80/73/38/555807338.db2.gz BXGAJDAQTIROSR-UHFFFAOYSA-N 0 0 445.581 5.737 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCC)Nc1ccccc1-2 ZINC000002742942 555807625 /nfs/dbraw/zinc/80/76/25/555807625.db2.gz QMKJXACSRUTRRC-QFIPXVFZSA-N 0 0 436.581 6.113 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000002745618 555808598 /nfs/dbraw/zinc/80/85/98/555808598.db2.gz WLBNZDOXOFSPJG-QGZVFWFLSA-N 0 0 428.359 6.099 50 0 IKAARN CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002745881 555808956 /nfs/dbraw/zinc/80/89/56/555808956.db2.gz GGWGNSIVMRYNLZ-FQEVSTJZSA-N 0 0 448.617 6.188 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)cc1 ZINC000002746991 555809484 /nfs/dbraw/zinc/80/94/84/555809484.db2.gz YROFIQQECYGMJN-UHFFFAOYSA-N 0 0 436.405 5.514 50 0 IKAARN O=C(CCSCCC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000002748444 555809680 /nfs/dbraw/zinc/80/96/80/555809680.db2.gz CPXNLYBCRBSBJY-UHFFFAOYSA-N 0 0 433.307 5.362 50 0 IKAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccccc1Br ZINC000002749155 555810045 /nfs/dbraw/zinc/81/00/45/555810045.db2.gz JVMWQESIMBQCRS-UHFFFAOYSA-N 0 0 430.323 5.525 50 0 IKAARN CCCOc1ccc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OCC)cc1 ZINC000002750347 555810068 /nfs/dbraw/zinc/81/00/68/555810068.db2.gz IBKIYCXSLUJDBG-UHFFFAOYSA-N 0 0 441.524 6.080 50 0 IKAARN O=C(NCCCCNC(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000002752173 555810369 /nfs/dbraw/zinc/81/03/69/555810369.db2.gz UISJSTHEKKUTPB-UHFFFAOYSA-N 0 0 434.150 5.240 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002752824 555810543 /nfs/dbraw/zinc/81/05/43/555810543.db2.gz BQMIJBXKMKJBQM-UHFFFAOYSA-N 0 0 437.282 6.190 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OC)cc1 ZINC000002752220 555810557 /nfs/dbraw/zinc/81/05/57/555810557.db2.gz SWAMDELTKVRABS-UHFFFAOYSA-N 0 0 443.952 6.286 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c3ccccc3n2)cc1 ZINC000002753288 555810813 /nfs/dbraw/zinc/81/08/13/555810813.db2.gz ZJTXTZYHSLEZLT-UHFFFAOYSA-N 0 0 429.523 7.206 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 ZINC000002753951 555810836 /nfs/dbraw/zinc/81/08/36/555810836.db2.gz NBFNKMJQWUPSOO-UHFFFAOYSA-N 0 0 448.488 7.470 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1cc(F)c(F)cc1Cl ZINC000002754289 555810855 /nfs/dbraw/zinc/81/08/55/555810855.db2.gz HTWSVSOLJCELMV-UHFFFAOYSA-N 0 0 444.696 6.039 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002756613 555811228 /nfs/dbraw/zinc/81/12/28/555811228.db2.gz KTOVCHWEBXCBRQ-UHFFFAOYSA-N 0 0 436.511 5.718 50 0 IKAARN CCCc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2)cc1 ZINC000002755769 555811263 /nfs/dbraw/zinc/81/12/63/555811263.db2.gz GHLJRJJTPKIRRF-UHFFFAOYSA-N 0 0 431.532 6.036 50 0 IKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC000034680051 555813159 /nfs/dbraw/zinc/81/31/59/555813159.db2.gz XZSHKIPXBWAWOI-UHFFFAOYSA-N 0 0 432.539 5.895 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)Cc1ccccc1 ZINC000002763036 555813457 /nfs/dbraw/zinc/81/34/57/555813457.db2.gz LXRORHBTKYQKRX-UHFFFAOYSA-N 0 0 444.350 5.536 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc21 ZINC000002764710 555813679 /nfs/dbraw/zinc/81/36/79/555813679.db2.gz OOXMFILFFBUNHD-UHFFFAOYSA-N 0 0 436.920 5.964 50 0 aggregator IKAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CSc1ccccc1 ZINC000002767360 555814343 /nfs/dbraw/zinc/81/43/43/555814343.db2.gz QWTWAMNCTRICQP-UHFFFAOYSA-N 0 0 439.602 6.446 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)sc2c1 ZINC000002767956 555814384 /nfs/dbraw/zinc/81/43/84/555814384.db2.gz ZBJYESZSWTWMSU-UHFFFAOYSA-N 0 0 448.331 6.218 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1-c1ccc(OC)cc1 ZINC000002767591 555814389 /nfs/dbraw/zinc/81/43/89/555814389.db2.gz KCEGMUPEHNKVDV-UHFFFAOYSA-N 0 0 431.460 5.439 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 ZINC000002768878 555814554 /nfs/dbraw/zinc/81/45/54/555814554.db2.gz OLSNCBRHKXYOPT-UHFFFAOYSA-N 0 0 438.571 6.081 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002769009 555814620 /nfs/dbraw/zinc/81/46/20/555814620.db2.gz JDFBDLHSRPLMRO-UHFFFAOYSA-N 0 0 433.245 5.893 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000002768417 555814634 /nfs/dbraw/zinc/81/46/34/555814634.db2.gz VAIMHZOOSLDCFI-UHFFFAOYSA-N 0 0 435.478 5.432 50 0 IKAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000002774048 555816831 /nfs/dbraw/zinc/81/68/31/555816831.db2.gz VTETYWAXGFNFPL-UHFFFAOYSA-N 0 0 441.961 6.631 50 0 IKAARN CCCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc4ccccc43)nc21 ZINC000002775871 555817788 /nfs/dbraw/zinc/81/77/88/555817788.db2.gz JYHBTOBMNPWKQY-UHFFFAOYSA-N 0 0 427.533 5.274 50 0 IKAARN O=C(Oc1ccccc1-c1ccccc1OC(=O)c1ccccc1F)c1ccccc1F ZINC000002775423 555817819 /nfs/dbraw/zinc/81/78/19/555817819.db2.gz BNICQENWOYKDHW-UHFFFAOYSA-N 0 0 430.406 6.070 50 0 IKAARN CCC(C)(C)c1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)s1 ZINC000002777050 555818478 /nfs/dbraw/zinc/81/84/78/555818478.db2.gz ARXKNGUKNQODEZ-UHFFFAOYSA-N 0 0 430.577 6.310 50 0 IKAARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000002777213 555818488 /nfs/dbraw/zinc/81/84/88/555818488.db2.gz FKSVSRIJDMOTSA-LPHOPBHVSA-N 0 0 442.625 5.411 50 0 IKAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000002777216 555818491 /nfs/dbraw/zinc/81/84/91/555818491.db2.gz FKSVSRIJDMOTSA-VQIMIIECSA-N 0 0 442.625 5.411 50 0 IKAARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 ZINC000002777180 555818503 /nfs/dbraw/zinc/81/85/03/555818503.db2.gz WUVXBKQJODUBRR-APWZRJJASA-N 0 0 429.582 5.463 50 0 IKAARN CSc1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000002779304 555818707 /nfs/dbraw/zinc/81/87/07/555818707.db2.gz YDTVAJLRYYVRKW-UHFFFAOYSA-N 0 0 425.457 5.208 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3sc(C(C)C)cc3C(N)=O)c3ccccc3n2)cc1C ZINC000002789163 555821386 /nfs/dbraw/zinc/82/13/86/555821386.db2.gz DYBUKPRZFPYXOT-UHFFFAOYSA-N 0 0 443.572 6.055 50 0 IKAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(C)=O)CC2)C(=O)Nc1ccc(F)cc1 ZINC000034708453 555823041 /nfs/dbraw/zinc/82/30/41/555823041.db2.gz NFUGKSYYCOZXKQ-CLJLJLNGSA-N 0 0 446.522 5.116 50 0 IKAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1C ZINC000002798562 555823450 /nfs/dbraw/zinc/82/34/50/555823450.db2.gz ONMKWPGPDIZUAQ-OAHLLOKOSA-N 0 0 431.483 5.899 50 0 IKAARN CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710153 555824059 /nfs/dbraw/zinc/82/40/59/555824059.db2.gz OKOYLWNJPGAUJF-UNMCSNQZSA-N 0 0 444.497 5.054 50 0 IKAARN Cc1cccc(CNC(=O)[C@H]2CC[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CC3)C2)c1 ZINC000034710137 555824090 /nfs/dbraw/zinc/82/40/90/555824090.db2.gz HXIYIDXVKUFJDR-UNMCSNQZSA-N 0 0 444.497 5.020 50 0 IKAARN Cc1cccc(CNC(=O)[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CC3)C2)c1 ZINC000034710135 555824104 /nfs/dbraw/zinc/82/41/04/555824104.db2.gz HXIYIDXVKUFJDR-RBBKRZOGSA-N 0 0 444.497 5.020 50 0 IKAARN Cc1ccc(C)c(COc2ccc(-c3nc(C(=O)Nc4ccc(F)cc4)cs3)cc2)c1 ZINC000034711813 555824863 /nfs/dbraw/zinc/82/48/63/555824863.db2.gz JWSBXFJSSCNZJT-UHFFFAOYSA-N 0 0 432.520 6.397 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4)cc3)n2)cc1 ZINC000034711707 555824866 /nfs/dbraw/zinc/82/48/66/555824866.db2.gz LBPYLRIEZBYHFK-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4cccc(F)c4)cc3)n2)cc1 ZINC000034711859 555824912 /nfs/dbraw/zinc/82/49/12/555824912.db2.gz VHBIUULGKCWYSB-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)Nc4ccc(C)cc4)cs3)cc2)c1 ZINC000034711958 555825137 /nfs/dbraw/zinc/82/51/37/555825137.db2.gz RRRVARRTQZZRDH-UHFFFAOYSA-N 0 0 430.529 5.958 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000034712002 555825142 /nfs/dbraw/zinc/82/51/42/555825142.db2.gz NKCQNUGUIKSNQR-UHFFFAOYSA-N 0 0 434.948 6.603 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)cc3)n2)cc1 ZINC000034711918 555825176 /nfs/dbraw/zinc/82/51/76/555825176.db2.gz LZFOMDCVXWTMGG-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4cccc(OC)c4)cc3)n2)cc1 ZINC000034711956 555825179 /nfs/dbraw/zinc/82/51/79/555825179.db2.gz YTGWSCBCPGGNKY-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN COc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1ccc(F)cc1 ZINC000034712258 555825540 /nfs/dbraw/zinc/82/55/40/555825540.db2.gz WBPDUWLAQILPSE-UHFFFAOYSA-N 0 0 438.480 5.060 50 0 IKAARN COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1ccccc1Cl ZINC000034712412 555825743 /nfs/dbraw/zinc/82/57/43/555825743.db2.gz WKWOSCLMANSADQ-UHFFFAOYSA-N 0 0 428.941 5.287 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3cccc(OCc4cccc(C)c4)c3)n2)cc1 ZINC000034712814 555825771 /nfs/dbraw/zinc/82/57/71/555825771.db2.gz NZTJUMQTDXNTLS-UHFFFAOYSA-N 0 0 430.529 5.958 50 0 IKAARN COc1cc(-c2nc(C(=O)NCCC(C)C)cs2)ccc1OCc1ccc(F)cc1F ZINC000034712445 555825807 /nfs/dbraw/zinc/82/58/07/555825807.db2.gz UKJNEROLXPUMRF-UHFFFAOYSA-N 0 0 446.519 5.452 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2cccc(OCc3ccc(F)cc3)c2)n1 ZINC000034712735 555825822 /nfs/dbraw/zinc/82/58/22/555825822.db2.gz FZAUWFHWYXKIOX-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2Cl)n1 ZINC000034713146 555826365 /nfs/dbraw/zinc/82/63/65/555826365.db2.gz NZJYOJVORYWMFM-UHFFFAOYSA-N 0 0 435.376 6.178 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1 ZINC000034713301 555826443 /nfs/dbraw/zinc/82/64/43/555826443.db2.gz RYUAVWJMFQUSCD-QGZVFWFLSA-N 0 0 446.931 5.090 50 0 IKAARN CC(C)CCNC(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2F)n1 ZINC000034713405 555826656 /nfs/dbraw/zinc/82/66/56/555826656.db2.gz NNHIYBHKZJFYHD-UHFFFAOYSA-N 0 0 434.483 5.582 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1 ZINC000034713547 555826978 /nfs/dbraw/zinc/82/69/78/555826978.db2.gz UTOXEKKJHDVWHV-UHFFFAOYSA-N 0 0 444.434 5.329 50 0 IKAARN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)ccc2o1 ZINC000002810302 555827223 /nfs/dbraw/zinc/82/72/23/555827223.db2.gz MQCQQMKELGNHCM-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1CCCC2 ZINC000002811291 555827226 /nfs/dbraw/zinc/82/72/26/555827226.db2.gz VCHKBGSSDDVFEN-UHFFFAOYSA-N 0 0 442.762 5.472 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc(Br)ccc1Cl ZINC000002811423 555827260 /nfs/dbraw/zinc/82/72/60/555827260.db2.gz RGSZGUWBRXGJQG-UHFFFAOYSA-N 0 0 445.675 6.302 50 0 IKAARN CCOC(=O)c1c(C)nc(C)cc1Sc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000002812279 555827608 /nfs/dbraw/zinc/82/76/08/555827608.db2.gz GWCHZBVCUDADOY-UHFFFAOYSA-N 0 0 444.560 5.198 50 0 IKAARN COC(=O)c1ccc(COc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc2Cl)cc1 ZINC000002811863 555827665 /nfs/dbraw/zinc/82/76/65/555827665.db2.gz DCQDQHIAXAEROC-UHFFFAOYSA-N 0 0 448.902 5.711 50 0 IKAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002814223 555828150 /nfs/dbraw/zinc/82/81/50/555828150.db2.gz WSQXKPSHUFXIOW-UHFFFAOYSA-N 0 0 439.751 5.935 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(Br)cc1 ZINC000002814257 555828198 /nfs/dbraw/zinc/82/81/98/555828198.db2.gz QKNUMAPEUMVVRW-MRXNPFEDSA-N 0 0 426.379 6.232 50 0 IKAARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002814405 555828478 /nfs/dbraw/zinc/82/84/78/555828478.db2.gz RBENMCMAWZXFKW-UHFFFAOYSA-N 0 0 438.980 6.023 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2cccc3ccccc32)oc1NCc1ccccc1 ZINC000002816300 555828727 /nfs/dbraw/zinc/82/87/27/555828727.db2.gz BJILJJMNNNTOAK-UHFFFAOYSA-N 0 0 436.448 5.998 50 0 IKAARN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccccc3F)cc2)cc1)c1ccccc1F ZINC000002821121 555829767 /nfs/dbraw/zinc/82/97/67/555829767.db2.gz KOLNFYAKVFUCCW-UHFFFAOYSA-N 0 0 428.438 6.136 50 0 IKAARN COc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)O2)cc1 ZINC000002819514 555829803 /nfs/dbraw/zinc/82/98/03/555829803.db2.gz SBWOQBLSWYPJCJ-FYJGNVAPSA-N 0 0 449.890 5.281 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c3ccccc31)Nc1ccccc1-2 ZINC000002821997 555830128 /nfs/dbraw/zinc/83/01/28/555830128.db2.gz VNXWMESFASGUSL-QHCPKHFHSA-N 0 0 444.560 6.096 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)N(C(C)=O)c1ccccc1-2 ZINC000002822698 555830152 /nfs/dbraw/zinc/83/01/52/555830152.db2.gz FLOKOJBOOAHYEJ-OAQYLSRUSA-N 0 0 440.956 5.528 50 0 IKAARN Cc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1 ZINC000002822674 555830200 /nfs/dbraw/zinc/83/02/00/555830200.db2.gz IFGLJVXSSKBMIN-QFIPXVFZSA-N 0 0 430.508 5.782 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccc(Br)cc1-2 ZINC000002823938 555830677 /nfs/dbraw/zinc/83/06/77/555830677.db2.gz VCPFNYHKDIWSIB-INIZCTEOSA-N 0 0 433.331 5.208 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)Nc1ccc(Br)cc1-2 ZINC000002823937 555830695 /nfs/dbraw/zinc/83/06/95/555830695.db2.gz VCPFNYHKDIWSIB-MRXNPFEDSA-N 0 0 433.331 5.208 50 0 IKAARN Cc1ccccc1CSc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000002824407 555830721 /nfs/dbraw/zinc/83/07/21/555830721.db2.gz QGHVNLPPFNPJCD-UHFFFAOYSA-N 0 0 425.366 6.090 50 0 IKAARN O=C(Nc1nnc(CSCCOc2ccc(Cl)cc2)s1)Nc1ccccc1F ZINC000002824475 555830725 /nfs/dbraw/zinc/83/07/25/555830725.db2.gz OLRPZTCCTDFAAQ-UHFFFAOYSA-N 0 0 438.937 5.287 50 0 IKAARN COc1ccc(OCCSCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000002824388 555830759 /nfs/dbraw/zinc/83/07/59/555830759.db2.gz QTEQIMTZXRVPMC-UHFFFAOYSA-N 0 0 444.582 5.120 50 0 IKAARN COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2)cc1 ZINC000002830586 555831708 /nfs/dbraw/zinc/83/17/08/555831708.db2.gz ITCWJTUMEYXSFU-UHFFFAOYSA-N 0 0 436.302 5.065 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cccc2ccccc21 ZINC000002835240 555832387 /nfs/dbraw/zinc/83/23/87/555832387.db2.gz CMRMNRYVCWYYGC-UHFFFAOYSA-N 0 0 440.322 5.383 50 0 aggregator IKAARN O=C(Nc1c(Cl)cc(Cl)cc1C(=O)N1CCCC1)c1ccc(Cl)cc1Cl ZINC000002836426 555833167 /nfs/dbraw/zinc/83/31/67/555833167.db2.gz RUTALJIQYXQKAU-UHFFFAOYSA-N 0 0 432.134 5.789 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002836640 555833215 /nfs/dbraw/zinc/83/32/15/555833215.db2.gz NNSCJVHSSSNTJR-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000002836716 555833455 /nfs/dbraw/zinc/83/34/55/555833455.db2.gz YAOQRJDCEIYNTB-UHFFFAOYSA-N 0 0 428.772 5.374 50 0 IKAARN COc1ccccc1OCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000002837150 555833764 /nfs/dbraw/zinc/83/37/64/555833764.db2.gz WXWAVKRMCNAOBS-UHFFFAOYSA-N 0 0 438.574 5.244 50 0 IKAARN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(C)(=O)=O ZINC000002838247 555834078 /nfs/dbraw/zinc/83/40/78/555834078.db2.gz QXCJGEJXEYODJC-UHFFFAOYSA-N 0 0 436.577 5.337 50 0 IKAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000002838290 555834116 /nfs/dbraw/zinc/83/41/16/555834116.db2.gz JBPLMTCCKVYRFP-UHFFFAOYSA-N 0 0 442.540 5.188 50 0 IKAARN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1SCc1ccccc1 ZINC000002839682 555834629 /nfs/dbraw/zinc/83/46/29/555834629.db2.gz FAECKZLZJACSHO-UHFFFAOYSA-N 0 0 447.563 6.841 50 0 IKAARN CCCC(=O)N(c1nc(-c2ccccc2)c(CCC)s1)c1ccccc1Br ZINC000002839018 555834655 /nfs/dbraw/zinc/83/46/55/555834655.db2.gz NRPWFQSUEQMLJR-UHFFFAOYSA-N 0 0 443.410 6.990 50 0 IKAARN CCOc1ccc(-c2nc(N(C(=O)Cc3ccccc3)c3ccccc3F)sc2C)cc1 ZINC000002839712 555834705 /nfs/dbraw/zinc/83/47/05/555834705.db2.gz SQXFBAVZGRAYOD-UHFFFAOYSA-N 0 0 446.547 6.564 50 0 IKAARN Cc1sc(N(C(=O)Cc2ccccc2)c2ccccc2F)nc1-c1ccc(Cl)cc1 ZINC000002839780 555835037 /nfs/dbraw/zinc/83/50/37/555835037.db2.gz AGDWUAJSCOTTJU-UHFFFAOYSA-N 0 0 436.939 6.818 50 0 IKAARN CCCc1sc(N(C(=O)Cc2ccccc2)c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000002840263 555835047 /nfs/dbraw/zinc/83/50/47/555835047.db2.gz WTUAXEBGDCBFJF-UHFFFAOYSA-N 0 0 442.584 6.679 50 0 IKAARN CCCc1sc(N(C(=O)CC)c2ccc(OCC)cc2)nc1-c1ccc(Cl)cc1 ZINC000002839716 555835075 /nfs/dbraw/zinc/83/50/75/555835075.db2.gz NJGKKPIBWXTYOD-UHFFFAOYSA-N 0 0 428.985 6.889 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C ZINC000002840751 555835291 /nfs/dbraw/zinc/83/52/91/555835291.db2.gz WBVYYVZXCCIMMZ-UHFFFAOYSA-N 0 0 438.597 5.119 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000002841055 555835566 /nfs/dbraw/zinc/83/55/66/555835566.db2.gz GNTCDUOGMOXTNB-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000002841204 555835577 /nfs/dbraw/zinc/83/55/77/555835577.db2.gz XWGBVRABBRGMRG-CQSZACIVSA-N 0 0 446.370 5.176 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc(F)cc1 ZINC000002841115 555835581 /nfs/dbraw/zinc/83/55/81/555835581.db2.gz KLUIYWPAJAVGAY-UHFFFAOYSA-N 0 0 429.469 5.000 50 0 IKAARN O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1 ZINC000002841380 555835783 /nfs/dbraw/zinc/83/57/83/555835783.db2.gz NIRSCJGUUKFRDW-UHFFFAOYSA-N 0 0 446.959 6.502 50 0 IKAARN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000002841205 555835828 /nfs/dbraw/zinc/83/58/28/555835828.db2.gz XWGBVRABBRGMRG-AWEZNQCLSA-N 0 0 446.370 5.176 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2C)cc1 ZINC000002841821 555836081 /nfs/dbraw/zinc/83/60/81/555836081.db2.gz IHIKSISZYGYIQS-UHFFFAOYSA-N 0 0 441.771 5.482 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2oc3ccc(C)cc3c2C)c(C(=O)OCC)c1C ZINC000002843359 555836664 /nfs/dbraw/zinc/83/66/64/555836664.db2.gz XQXGHLXOVSASRF-UHFFFAOYSA-N 0 0 429.494 5.025 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccco1 ZINC000002845122 555837284 /nfs/dbraw/zinc/83/72/84/555837284.db2.gz JTMVGLKMQBDUKU-UHFFFAOYSA-N 0 0 435.505 5.347 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002845555 555837309 /nfs/dbraw/zinc/83/73/09/555837309.db2.gz IYMYFELHROHBDT-ZDUSSCGKSA-N 0 0 427.287 6.208 50 0 IKAARN Cc1sc2nc(SCc3nc(-c4ccccc4)no3)n(-c3ccccc3)c(=O)c2c1C ZINC000002845795 555837643 /nfs/dbraw/zinc/83/76/43/555837643.db2.gz QUFBMANHEGPHTI-UHFFFAOYSA-N 0 0 446.557 5.406 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000002848592 555838419 /nfs/dbraw/zinc/83/84/19/555838419.db2.gz PMCFLIDBVIOJLQ-UHFFFAOYSA-N 0 0 449.605 5.052 50 0 IKAARN Cc1ccc(NC(=O)/C(=C/c2ccc(Cl)cc2Cl)NC(=O)c2ccco2)cc1C ZINC000002849163 555838431 /nfs/dbraw/zinc/83/84/31/555838431.db2.gz HBCXVJCQPXNFPZ-ODLFYWEKSA-N 0 0 429.303 5.613 50 0 IKAARN CCOc1ccccc1-c1nc(-c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)no1 ZINC000002849589 555838613 /nfs/dbraw/zinc/83/86/13/555838613.db2.gz YXGRDRIBAQAGAB-UHFFFAOYSA-N 0 0 443.503 5.382 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(I)cc1C(F)(F)F ZINC000002849785 555838648 /nfs/dbraw/zinc/83/86/48/555838648.db2.gz CLKJAIIZXPJHGC-UHFFFAOYSA-N 0 0 439.602 5.145 50 0 IKAARN O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000002849370 555838657 /nfs/dbraw/zinc/83/86/57/555838657.db2.gz QORDCONPHNWLFO-UHFFFAOYSA-N 0 0 439.334 5.335 50 0 aggregator IKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000002849804 555838679 /nfs/dbraw/zinc/83/86/79/555838679.db2.gz SQLYNAXQZKIDTO-NSHDSACASA-N 0 0 429.731 5.791 50 0 IKAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000002850293 555838961 /nfs/dbraw/zinc/83/89/61/555838961.db2.gz HIMCBVKUJDJAIS-CYBMUJFWSA-N 0 0 433.291 5.553 50 0 IKAARN Cc1ccc(-c2nnc(-c3cccc(NC(=O)CSCc4ccc(Cl)cc4)c3)o2)cc1 ZINC000002850426 555838973 /nfs/dbraw/zinc/83/89/73/555838973.db2.gz JAXNPTIYKUOCRV-UHFFFAOYSA-N 0 0 449.963 6.237 50 0 IKAARN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000002850294 555839001 /nfs/dbraw/zinc/83/90/01/555839001.db2.gz HIMCBVKUJDJAIS-ZDUSSCGKSA-N 0 0 433.291 5.553 50 0 IKAARN CCCCOc1c(Cl)cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl ZINC000002851450 555839551 /nfs/dbraw/zinc/83/95/51/555839551.db2.gz FJLCZGKTPNQURL-UHFFFAOYSA-N 0 0 448.350 5.222 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OCO3)sc(C)c1-c1ccccc1 ZINC000002852883 555840121 /nfs/dbraw/zinc/84/01/21/555840121.db2.gz JROQHWVJSQRTRF-UHFFFAOYSA-N 0 0 440.546 5.438 50 0 IKAARN COc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000002853343 555840382 /nfs/dbraw/zinc/84/03/82/555840382.db2.gz NFRFAPRPFGNKGJ-UHFFFAOYSA-N 0 0 441.771 5.709 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc2c(c1)OCO2 ZINC000002853472 555840389 /nfs/dbraw/zinc/84/03/89/555840389.db2.gz QIQMIINQKIUUKK-UHFFFAOYSA-N 0 0 426.519 5.129 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)Nc1ccc2c(c1)OCO2 ZINC000002853917 555840758 /nfs/dbraw/zinc/84/07/58/555840758.db2.gz OXCROENHFZNQGJ-UHFFFAOYSA-N 0 0 440.546 5.053 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cc(C)cc(C)c1 ZINC000002854058 555840776 /nfs/dbraw/zinc/84/07/76/555840776.db2.gz LCMBMIXFWASXDA-UHFFFAOYSA-N 0 0 447.585 5.716 50 0 IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccc(N2CCCC2)cc1 ZINC000002856009 555841664 /nfs/dbraw/zinc/84/16/64/555841664.db2.gz QBUFOSRQWCWHBT-UHFFFAOYSA-N 0 0 425.484 5.322 50 0 IKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3c(C)ccc4ccccc43)cc2oc1=O ZINC000002856196 555841676 /nfs/dbraw/zinc/84/16/76/555841676.db2.gz RAZYIPYUBIJNBT-UHFFFAOYSA-N 0 0 436.891 5.511 50 0 IKAARN CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000002857244 555842360 /nfs/dbraw/zinc/84/23/60/555842360.db2.gz FVJIJZWLQNJHAH-UHFFFAOYSA-N 0 0 433.339 5.898 50 0 IKAARN CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000002858215 555842875 /nfs/dbraw/zinc/84/28/75/555842875.db2.gz OWOXJMQSMVRXKP-UHFFFAOYSA-N 0 0 426.563 5.160 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Br)o1 ZINC000002858413 555842906 /nfs/dbraw/zinc/84/29/06/555842906.db2.gz DLRKEKWHCRPBJN-UHFFFAOYSA-N 0 0 433.714 6.225 50 0 IKAARN CCc1c(C)sc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c1C(=O)OC ZINC000002858660 555843308 /nfs/dbraw/zinc/84/33/08/555843308.db2.gz HWVDHRNNPCTEKA-UHFFFAOYSA-N 0 0 440.590 5.793 50 0 IKAARN CC(C)OC(=O)c1ccc(COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000002859361 555843494 /nfs/dbraw/zinc/84/34/94/555843494.db2.gz CFNGWFMBOLNLDZ-UHFFFAOYSA-N 0 0 442.471 5.326 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000002859544 555843863 /nfs/dbraw/zinc/84/38/63/555843863.db2.gz ICPJGWPDUKVGFJ-HSZRJFAPSA-N 0 0 445.515 5.708 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000002860646 555844158 /nfs/dbraw/zinc/84/41/58/555844158.db2.gz MNCKWCOUUJYJAX-UHFFFAOYSA-N 0 0 436.511 5.718 50 0 IKAARN COc1ccc(-c2nnc(SCc3cc(Cl)ccc3OC)n2-c2ccccc2)cc1 ZINC000002861593 555844728 /nfs/dbraw/zinc/84/47/28/555844728.db2.gz CKNGIRXZPDIKDL-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1 ZINC000002861662 555844774 /nfs/dbraw/zinc/84/47/74/555844774.db2.gz MYXLNXWJYMDLAV-QFIPXVFZSA-N 0 0 449.865 5.340 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000002862041 555845156 /nfs/dbraw/zinc/84/51/56/555845156.db2.gz BACBVVGHMPNBKM-XMMPIXPASA-N 0 0 443.474 5.249 50 0 IKAARN CCOc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 ZINC000002862224 555845346 /nfs/dbraw/zinc/84/53/46/555845346.db2.gz MYQPAAMSIRBENT-UHFFFAOYSA-N 0 0 434.586 5.693 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000002862383 555845414 /nfs/dbraw/zinc/84/54/14/555845414.db2.gz HKWNEJNPCBVZTI-XMMPIXPASA-N 0 0 443.930 6.063 50 0 IKAARN CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1 ZINC000002862351 555845424 /nfs/dbraw/zinc/84/54/24/555845424.db2.gz KLVSRVGSNBZQKV-UHFFFAOYSA-N 0 0 449.551 5.985 50 0 IKAARN CC[C@@H](Oc1nc2ccccc2nc1-c1ccccc1NC(C)=O)C(=O)c1ccccc1 ZINC000002862200 555845435 /nfs/dbraw/zinc/84/54/35/555845435.db2.gz OIXLEZQIYWSTFE-HSZRJFAPSA-N 0 0 425.488 5.296 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000002862448 555845811 /nfs/dbraw/zinc/84/58/11/555845811.db2.gz OPBQZUDUPGZNRK-QHCPKHFHSA-N 0 0 445.515 5.708 50 0 IKAARN Cc1cccc(-c2noc(CN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)C(C)C)n2)c1 ZINC000002862546 555845848 /nfs/dbraw/zinc/84/58/48/555845848.db2.gz AQHGSLXHLPCSMB-LJQANCHMSA-N 0 0 435.568 5.547 50 0 IKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCCC3 ZINC000002864608 555846696 /nfs/dbraw/zinc/84/66/96/555846696.db2.gz AXBRHRAUXNLOMI-UHFFFAOYSA-N 0 0 438.622 5.171 50 0 IKAARN CCCC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000002865268 555846703 /nfs/dbraw/zinc/84/67/03/555846703.db2.gz KXFISXCYTCMNLZ-UHFFFAOYSA-N 0 0 429.545 6.263 50 0 IKAARN COc1ccccc1C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000002865531 555847090 /nfs/dbraw/zinc/84/70/90/555847090.db2.gz LBWWKJTZSWDRRP-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(N(C)C)cc4)c23)cc1 ZINC000002865607 555847108 /nfs/dbraw/zinc/84/71/08/555847108.db2.gz ZIKFSJUCVAEORL-UHFFFAOYSA-N 0 0 434.590 5.464 50 0 IKAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002866768 555847801 /nfs/dbraw/zinc/84/78/01/555847801.db2.gz VWEGGEPKXGOVNW-UHFFFAOYSA-N 0 0 428.532 5.434 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000034714298 555847805 /nfs/dbraw/zinc/84/78/05/555847805.db2.gz YMDYBLJZFOVGPI-UHFFFAOYSA-N 0 0 448.975 6.315 50 0 IKAARN O=C(CSc1nnc(NC(=O)c2ccc3c4c(cccc42)CC3)s1)c1ccccc1 ZINC000002867149 555847814 /nfs/dbraw/zinc/84/78/14/555847814.db2.gz CNGNPFQUJOMYAS-UHFFFAOYSA-N 0 0 431.542 5.017 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)Nc2cc(C)ccc2OC(F)F)c2ccccc2n1 ZINC000002867586 555848095 /nfs/dbraw/zinc/84/80/95/555848095.db2.gz QCVGIIDYELIEID-UHFFFAOYSA-N 0 0 448.469 6.463 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)CCc3ccccc3)c3ccccc3n2)c1 ZINC000002867725 555848103 /nfs/dbraw/zinc/84/81/03/555848103.db2.gz QUCDWOQUSBVCAZ-LJQANCHMSA-N 0 0 440.543 5.670 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3cc(Br)ccc3n2)o1 ZINC000002867794 555848114 /nfs/dbraw/zinc/84/81/14/555848114.db2.gz COZMVPCTNHIIJX-UHFFFAOYSA-N 0 0 433.305 5.769 50 0 IKAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCSc1ccc(Cl)cc1 ZINC000002868235 555848355 /nfs/dbraw/zinc/84/83/55/555848355.db2.gz MENIOONOWOXOPG-UHFFFAOYSA-N 0 0 436.964 5.318 50 0 IKAARN O=C(Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1)c1ccco1 ZINC000002868693 555848718 /nfs/dbraw/zinc/84/87/18/555848718.db2.gz LHHAUKOTOXHXBY-UHFFFAOYSA-N 0 0 425.440 5.120 50 0 IKAARN COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccccc3)sc2-c2ccccc2)cc1 ZINC000002868950 555849061 /nfs/dbraw/zinc/84/90/61/555849061.db2.gz PQZZNFDXSUZRKN-UHFFFAOYSA-N 0 0 442.540 6.087 50 0 IKAARN CCCOP(=O)(OCCC)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000002870272 555849367 /nfs/dbraw/zinc/84/93/67/555849367.db2.gz FVCVQWUTOOUNMO-FQEVSTJZSA-N 0 0 429.419 7.171 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1c1ccc(Br)cc1 ZINC000002871381 555850049 /nfs/dbraw/zinc/85/00/49/555850049.db2.gz JBCQTEOJQUDGNH-HXUWFJFHSA-N 0 0 448.272 5.011 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000002871667 555850063 /nfs/dbraw/zinc/85/00/63/555850063.db2.gz KUVCFYQJVARIDP-UHFFFAOYSA-N 0 0 443.528 5.698 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc1 ZINC000002872425 555850405 /nfs/dbraw/zinc/85/04/05/555850405.db2.gz PQSBAQJELGAXEX-NRFANRHFSA-N 0 0 433.916 5.918 50 0 IKAARN Cc1ccccc1CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)s1 ZINC000002872424 555850431 /nfs/dbraw/zinc/85/04/31/555850431.db2.gz VJWWQMZCEUNFNR-AWEZNQCLSA-N 0 0 433.986 5.507 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc1 ZINC000002872426 555850462 /nfs/dbraw/zinc/85/04/62/555850462.db2.gz PQSBAQJELGAXEX-OAQYLSRUSA-N 0 0 433.916 5.918 50 0 IKAARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000002873297 555850649 /nfs/dbraw/zinc/85/06/49/555850649.db2.gz IOPRTOFCKDMDBF-IBGZPJMESA-N 0 0 442.290 6.309 50 0 IKAARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000002873298 555850707 /nfs/dbraw/zinc/85/07/07/555850707.db2.gz IOPRTOFCKDMDBF-LJQANCHMSA-N 0 0 442.290 6.309 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)sc2c1 ZINC000002872542 555850710 /nfs/dbraw/zinc/85/07/10/555850710.db2.gz HZLKIBCKSLZSGR-UHFFFAOYSA-N 0 0 439.968 5.986 50 0 IKAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3ccc(N(C)C)cc3)c2cc1OC ZINC000002873437 555850736 /nfs/dbraw/zinc/85/07/36/555850736.db2.gz RIKICSUXORQPMH-UHFFFAOYSA-N 0 0 438.531 5.632 50 0 IKAARN CCOc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000002874152 555851096 /nfs/dbraw/zinc/85/10/96/555851096.db2.gz GOVLRXODZMGFFG-QHCPKHFHSA-N 0 0 442.544 5.733 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002873641 555851106 /nfs/dbraw/zinc/85/11/06/555851106.db2.gz OQSWYYLQQHGIAL-AWEZNQCLSA-N 0 0 435.254 5.454 50 0 IKAARN O=C(NC(=S)N(CCCCO)CCC1=CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000002874491 555851332 /nfs/dbraw/zinc/85/13/32/555851332.db2.gz DABJPWWDIDJDGB-UHFFFAOYSA-N 0 0 436.621 5.333 50 0 IKAARN CCC[C@@H]1CO[C@@](CSC(=S)N2CCCCC2)(c2ccc(Cl)cc2Cl)O1 ZINC000002874892 555851813 /nfs/dbraw/zinc/85/18/13/555851813.db2.gz CGPFXOVFQCWIPK-DNVCBOLYSA-N 0 0 434.454 5.866 50 0 IKAARN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000002877915 555853233 /nfs/dbraw/zinc/85/32/33/555853233.db2.gz HKLXAFRQNVFYGP-UHFFFAOYSA-N 0 0 425.937 5.980 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1cccc(OCc3ccccc3)c1)Nc1ccccc1-2 ZINC000002878630 555853573 /nfs/dbraw/zinc/85/35/73/555853573.db2.gz ATPLGKQMZNRUMR-JOCHJYFZSA-N 0 0 428.517 5.343 50 0 IKAARN Oc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2cccnc12 ZINC000002879152 555853940 /nfs/dbraw/zinc/85/39/40/555853940.db2.gz UWTAAGZZRSQCHE-UHFFFAOYSA-N 0 0 444.947 6.134 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000002879776 555854620 /nfs/dbraw/zinc/85/46/20/555854620.db2.gz CEBBLLINOVCCJN-UHFFFAOYSA-N 0 0 440.977 6.356 50 0 IKAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1CCc1ccccc1 ZINC000002880840 555854878 /nfs/dbraw/zinc/85/48/78/555854878.db2.gz PEEXVCWBKQZBGA-UHFFFAOYSA-N 0 0 425.532 5.573 50 0 IKAARN CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000002881064 555855212 /nfs/dbraw/zinc/85/52/12/555855212.db2.gz PEVKBHFZUPHTTA-UHFFFAOYSA-N 0 0 440.590 5.387 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1Cl ZINC000002881027 555855234 /nfs/dbraw/zinc/85/52/34/555855234.db2.gz TWGSBRXPPBKNDG-UHFFFAOYSA-N 0 0 443.355 6.839 50 0 IKAARN O=C(Nc1ccc(I)cc1Cl)c1cccc2c(Cl)cccc12 ZINC000002881697 555855824 /nfs/dbraw/zinc/85/58/24/555855824.db2.gz XWQONZWZZJJLII-UHFFFAOYSA-N 0 0 442.083 6.004 50 0 IKAARN CCOc1cc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc(OCC)c1OCC ZINC000002883226 555856530 /nfs/dbraw/zinc/85/65/30/555856530.db2.gz YXIAQEPFRKLYDJ-UHFFFAOYSA-N 0 0 434.920 5.137 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(F)c1F ZINC000002882929 555856542 /nfs/dbraw/zinc/85/65/42/555856542.db2.gz XFRFQGKBGLAJHZ-UHFFFAOYSA-N 0 0 432.398 5.781 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)cc1Cl ZINC000002883156 555856613 /nfs/dbraw/zinc/85/66/13/555856613.db2.gz PSJZGJYRODIYPK-UHFFFAOYSA-N 0 0 427.938 5.645 50 0 IKAARN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)c(Cl)c1 ZINC000002883736 555856957 /nfs/dbraw/zinc/85/69/57/555856957.db2.gz COYPYLWMXVABQH-UHFFFAOYSA-N 0 0 435.936 5.261 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1 ZINC000002883705 555856958 /nfs/dbraw/zinc/85/69/58/555856958.db2.gz PZNAIIPTRCDANS-UHFFFAOYSA-N 0 0 432.904 5.149 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002884321 555857228 /nfs/dbraw/zinc/85/72/28/555857228.db2.gz UJFQYSFQDRFQPG-UHFFFAOYSA-N 0 0 448.253 5.793 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3Cl)c2)cc1 ZINC000002884319 555857266 /nfs/dbraw/zinc/85/72/66/555857266.db2.gz IOSWMAROEWIHJS-UHFFFAOYSA-N 0 0 436.939 5.907 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1Br ZINC000002885201 555857847 /nfs/dbraw/zinc/85/78/47/555857847.db2.gz URAHYKBOZGOYKC-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000002886770 555858311 /nfs/dbraw/zinc/85/83/11/555858311.db2.gz JFFWWKRLIFHKJX-UHFFFAOYSA-N 0 0 446.981 5.423 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000002887767 555858697 /nfs/dbraw/zinc/85/86/97/555858697.db2.gz ZTXDZHKTBXLEGY-WOJBJXKFSA-N 0 0 432.520 5.115 50 0 IKAARN COc1cc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc(OC)c1OC ZINC000002887842 555858727 /nfs/dbraw/zinc/85/87/27/555858727.db2.gz BPHPZDFPMJYEGY-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002887460 555858796 /nfs/dbraw/zinc/85/87/96/555858796.db2.gz VNCRVYGEPRXROF-MRXNPFEDSA-N 0 0 441.358 5.997 50 0 aggregator IKAARN COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 ZINC000002887923 555858911 /nfs/dbraw/zinc/85/89/11/555858911.db2.gz KJKVTCRMKMZXRN-UHFFFAOYSA-N 0 0 432.954 5.393 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000002890041 555859395 /nfs/dbraw/zinc/85/93/95/555859395.db2.gz OQFIPAIYXFPOMF-UHFFFAOYSA-N 0 0 442.540 5.715 50 0 IKAARN CCc1c2c(N)c(C(=O)c3ccc(Cl)c(Cl)c3)sc2nc2c1C(=O)CC(C)(C)C2 ZINC000002889300 555859409 /nfs/dbraw/zinc/85/94/09/555859409.db2.gz VCDHDJUVUCSIQX-UHFFFAOYSA-N 0 0 447.387 6.134 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(N)c2)c(C(C)(C)CC)c1 ZINC000002891753 555859985 /nfs/dbraw/zinc/85/99/85/555859985.db2.gz BKETUCNJDZSSEV-UHFFFAOYSA-N 0 0 445.047 7.095 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(Oc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000002904845 555861014 /nfs/dbraw/zinc/86/10/14/555861014.db2.gz HBZDTALBHMFPRD-UHFFFAOYSA-N 0 0 430.507 7.279 50 0 IKAARN CC(C)(C)c1cc([C@@H](O)c2nc3ccccc3n2Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000002911377 555862012 /nfs/dbraw/zinc/86/20/12/555862012.db2.gz NXRFOPSAWLYLLW-RUZDIDTESA-N 0 0 442.603 6.467 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1c(OCC)ccc3ccccc31)Nc1ccccc1-2 ZINC000002912852 555862241 /nfs/dbraw/zinc/86/22/41/555862241.db2.gz HTYQOHLHDSWMDJ-HSZRJFAPSA-N 0 0 444.560 6.096 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)c1ccc(OC)c(OC)c1)n2Cc1ccccc1 ZINC000002913965 555862258 /nfs/dbraw/zinc/86/22/58/555862258.db2.gz VPYXNHKAMDJHEQ-UHFFFAOYSA-N 0 0 448.544 5.085 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 ZINC000002914383 555862309 /nfs/dbraw/zinc/86/23/09/555862309.db2.gz GTDFUCHOLJXYBK-GOSISDBHSA-N 0 0 433.364 6.241 50 0 IKAARN O[C@H](Cc1nc2ccccc2n1Cc1ccc(Br)cc1)c1ccccc1Cl ZINC000002912059 555862392 /nfs/dbraw/zinc/86/23/92/555862392.db2.gz WBLUYUHRZSKSTI-OAQYLSRUSA-N 0 0 441.756 5.777 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1-2 ZINC000002916218 555862827 /nfs/dbraw/zinc/86/28/27/555862827.db2.gz MUHVGKOKVRDPQX-SFHVURJKSA-N 0 0 433.364 6.241 50 0 IKAARN CCCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCCCC)nc2O1 ZINC000002915704 555862858 /nfs/dbraw/zinc/86/28/58/555862858.db2.gz REKHXDTZRUUZTD-QFIPXVFZSA-N 0 0 436.581 6.113 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2-c2ccc(OC)cc2)cc1 ZINC000002916289 555862872 /nfs/dbraw/zinc/86/28/72/555862872.db2.gz RUDNOCMZBTVIKU-UHFFFAOYSA-N 0 0 434.492 5.886 50 0 IKAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)c1 ZINC000002917728 555862875 /nfs/dbraw/zinc/86/28/75/555862875.db2.gz KOOYNMZLBRIKGB-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 ZINC000002917897 555863156 /nfs/dbraw/zinc/86/31/56/555863156.db2.gz FRNCNCJPTPYWKG-RTWAWAEBSA-N 0 0 436.899 5.345 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCCc1ccccc1 ZINC000002922156 555863504 /nfs/dbraw/zinc/86/35/04/555863504.db2.gz YHSFAXCPFYZDQA-UHFFFAOYSA-N 0 0 449.381 6.880 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccccc1Br ZINC000002927713 555863746 /nfs/dbraw/zinc/86/37/46/555863746.db2.gz CLAJSWVYMOUSBL-UHFFFAOYSA-N 0 0 445.675 6.302 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000034723685 555864125 /nfs/dbraw/zinc/86/41/25/555864125.db2.gz XOAYLYZYXYVSGO-UHFFFAOYSA-N 0 0 447.966 5.624 50 0 IKAARN O=C(NCCc1ccccc1)c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1 ZINC000002933072 555864214 /nfs/dbraw/zinc/86/42/14/555864214.db2.gz CRYCPDYIEOBXBV-UHFFFAOYSA-N 0 0 448.566 5.299 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4Cl)c3)oc2c(C)c1 ZINC000002935412 555864429 /nfs/dbraw/zinc/86/44/29/555864429.db2.gz QWGRQZGEKJUUCK-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000002936271 555864500 /nfs/dbraw/zinc/86/45/00/555864500.db2.gz YVESTLOJEGCOOL-UHFFFAOYSA-N 0 0 445.327 5.993 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000002936847 555864521 /nfs/dbraw/zinc/86/45/21/555864521.db2.gz TZILBSLAYICXBF-UHFFFAOYSA-N 0 0 447.705 6.716 50 0 IKAARN CC[C@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)C1CCCC1 ZINC000034715175 555864775 /nfs/dbraw/zinc/86/47/75/555864775.db2.gz DQRCEMFDOLELSD-FQEVSTJZSA-N 0 0 440.653 5.650 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nc2c1 ZINC000002938710 555864780 /nfs/dbraw/zinc/86/47/80/555864780.db2.gz VUXIOCREGGYRFW-UHFFFAOYSA-N 0 0 425.315 7.177 50 0 IKAARN Cc1cccc(CNC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)CN(C(=O)c3ccccc3)C2)c1 ZINC000034715494 555865129 /nfs/dbraw/zinc/86/51/29/555865129.db2.gz JTRJZXOCYJGESC-DQEYMECFSA-N 0 0 444.550 5.005 50 0 IKAARN O=c1oc2ccccc2c2c1[C@@H](c1cccc3ccccc31)Nc1ccc3ccccc3c1-2 ZINC000002945732 555865436 /nfs/dbraw/zinc/86/54/36/555865436.db2.gz LSPIDGZEFWCGBT-GDLZYMKVSA-N 0 0 425.487 7.281 50 0 IKAARN O=c1oc2ccccc2c2c1[C@H](c1cccc3ccccc31)Nc1ccc3ccccc3c1-2 ZINC000002945730 555865449 /nfs/dbraw/zinc/86/54/49/555865449.db2.gz LSPIDGZEFWCGBT-LJAQVGFWSA-N 0 0 425.487 7.281 50 0 IKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000002953625 555866440 /nfs/dbraw/zinc/86/64/40/555866440.db2.gz KRRWNTWTOCWLPZ-UHFFFAOYSA-N 0 0 439.342 7.486 50 0 IKAARN O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000002958623 555867333 /nfs/dbraw/zinc/86/73/33/555867333.db2.gz KHDGYNGNTRUHKH-OVCLIPMQSA-N 0 0 440.771 6.011 50 0 IKAARN CN(Cc1ccco1)C(=O)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034717447 555867970 /nfs/dbraw/zinc/86/79/70/555867970.db2.gz ZLJJUKFPQJNNOC-UHFFFAOYSA-N 0 0 438.936 5.908 50 0 IKAARN COc1cccc(COc2cccc(-c3nc(C(=O)Nc4ccccc4F)cs3)c2)c1 ZINC000034717432 555867984 /nfs/dbraw/zinc/86/79/84/555867984.db2.gz FOPKFOVZQFQAJR-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN CC(C)(C)c1cc(C(C)(C)C)c(O)c2oc(-c3ccc(I)o3)nc21 ZINC000002964632 555868207 /nfs/dbraw/zinc/86/82/07/555868207.db2.gz YCIIGBLMYOIGTN-UHFFFAOYSA-N 0 0 439.293 5.993 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)n1 ZINC000034717463 555868384 /nfs/dbraw/zinc/86/83/84/555868384.db2.gz BIHVVBMYJJKFHI-UHFFFAOYSA-N 0 0 432.467 5.548 50 0 IKAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000034728788 555869098 /nfs/dbraw/zinc/86/90/98/555869098.db2.gz BSFMXZLMRPXBAV-LJQANCHMSA-N 0 0 445.538 5.040 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Br)cc1F ZINC000002970288 555869137 /nfs/dbraw/zinc/86/91/37/555869137.db2.gz UUICEKKGURMHCQ-UHFFFAOYSA-N 0 0 427.484 5.566 50 0 IKAARN CC(C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)(c1ccccc1)c1ccccc1 ZINC000002972479 555869694 /nfs/dbraw/zinc/86/96/94/555869694.db2.gz JHISJAFSOVXCOO-UHFFFAOYSA-N 0 0 434.495 6.145 50 0 IKAARN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(Br)cc1 ZINC000002972427 555869733 /nfs/dbraw/zinc/86/97/33/555869733.db2.gz GKOKAFGILMOOTB-UHFFFAOYSA-N 0 0 435.774 6.431 50 0 IKAARN Cc1ccsc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccc(C)cc3)nc2O1 ZINC000002977153 555869970 /nfs/dbraw/zinc/86/99/70/555869970.db2.gz HCPYQQGHNLYQPK-JOCHJYFZSA-N 0 0 432.574 6.012 50 0 IKAARN C[C@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C)C2)c1ccccc1 ZINC000002974529 555870075 /nfs/dbraw/zinc/87/00/75/555870075.db2.gz YRIKZZWYEPYQQT-CVEARBPZSA-N 0 0 436.552 5.755 50 0 IKAARN C[C@@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C)C2)c1ccccc1 ZINC000002974532 555870077 /nfs/dbraw/zinc/87/00/77/555870077.db2.gz YRIKZZWYEPYQQT-JKSUJKDBSA-N 0 0 436.552 5.755 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1sccc1C)Nc1ccc(Br)cc1-2 ZINC000002978074 555870367 /nfs/dbraw/zinc/87/03/67/555870367.db2.gz CGXPEBBXDOIZTR-INIZCTEOSA-N 0 0 435.372 5.286 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(F)cc3)o1)N(C(C)=O)c1ccccc1-2 ZINC000002977887 555870395 /nfs/dbraw/zinc/87/03/95/555870395.db2.gz VWRQOWOOHVEXOT-JOCHJYFZSA-N 0 0 448.479 5.104 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(F)cc3)o1)N(C(C)=O)c1ccccc1-2 ZINC000002977886 555870398 /nfs/dbraw/zinc/87/03/98/555870398.db2.gz VWRQOWOOHVEXOT-QFIPXVFZSA-N 0 0 448.479 5.104 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)oc2c(C)c1 ZINC000002978523 555870596 /nfs/dbraw/zinc/87/05/96/555870596.db2.gz MJBUFAOLJUCSBP-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN COc1ccccc1NC(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000002978329 555870632 /nfs/dbraw/zinc/87/06/32/555870632.db2.gz DDYKPOXUEHQAPI-UHFFFAOYSA-N 0 0 441.365 5.790 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000002978564 555870879 /nfs/dbraw/zinc/87/08/79/555870879.db2.gz YMTQWXIXQVPXGZ-UHFFFAOYSA-N 0 0 445.588 5.672 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1C ZINC000002978733 555870905 /nfs/dbraw/zinc/87/09/05/555870905.db2.gz POMFIJIEXJUTJI-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc2c(c1)OCCO2 ZINC000002979393 555871127 /nfs/dbraw/zinc/87/11/27/555871127.db2.gz OIYHOBSOHCQQLJ-UHFFFAOYSA-N 0 0 441.270 5.825 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000002979777 555871501 /nfs/dbraw/zinc/87/15/01/555871501.db2.gz PRZGDHFIMYLVTR-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C)c1-c1ccccc1 ZINC000002979515 555871576 /nfs/dbraw/zinc/87/15/76/555871576.db2.gz MILMREOVXGDSJA-UHFFFAOYSA-N 0 0 425.506 5.170 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)c(C)c1 ZINC000002981880 555872213 /nfs/dbraw/zinc/87/22/13/555872213.db2.gz IOFLWJIPSSGPRG-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000002982785 555873132 /nfs/dbraw/zinc/87/31/32/555873132.db2.gz HQPYVQMPVWSEAQ-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN COc1cc2c(cc1NC(=O)CCCOc1ccc(Cl)cc1Cl)oc1ccccc12 ZINC000002983193 555873394 /nfs/dbraw/zinc/87/33/94/555873394.db2.gz CWMPAWHZESAOHT-UHFFFAOYSA-N 0 0 444.314 6.699 50 0 IKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000002984861 555873749 /nfs/dbraw/zinc/87/37/49/555873749.db2.gz VPUZLNMNCRQKJC-CHWSQXEVSA-N 0 0 434.989 5.057 50 0 IKAARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)Cc4ccc(Cl)cc4)c3)oc2c(C)c1 ZINC000002984585 555873761 /nfs/dbraw/zinc/87/37/61/555873761.db2.gz WAXJJQTXPXIIBX-UHFFFAOYSA-N 0 0 425.315 6.600 50 0 IKAARN O=C1N/C(=C\c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000002984593 555873787 /nfs/dbraw/zinc/87/37/87/555873787.db2.gz DRKYAYONOZOBGP-XKZIYDEJSA-N 0 0 436.870 5.151 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000002985060 555873803 /nfs/dbraw/zinc/87/38/03/555873803.db2.gz XQEIRTZCSDACEO-UHFFFAOYSA-N 0 0 445.544 5.717 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1Cl ZINC000002986121 555873967 /nfs/dbraw/zinc/87/39/67/555873967.db2.gz LOKDQGPUIBFVBV-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN C/C=C/c1ccc(OCCOCCOc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 ZINC000002985482 555874040 /nfs/dbraw/zinc/87/40/40/555874040.db2.gz KIIQVEGHNGCNGO-XVNBXDOJSA-N 0 0 432.516 5.434 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002987839 555874326 /nfs/dbraw/zinc/87/43/26/555874326.db2.gz FBFYAAFWLWQUHP-UHFFFAOYSA-N 0 0 434.564 7.042 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000002986677 555874336 /nfs/dbraw/zinc/87/43/36/555874336.db2.gz CZFBGVPIUZTJLN-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000002988878 555874501 /nfs/dbraw/zinc/87/45/01/555874501.db2.gz NCQPLQXHGRFQAS-UHFFFAOYSA-N 0 0 428.022 6.813 50 0 IKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000002987910 555874551 /nfs/dbraw/zinc/87/45/51/555874551.db2.gz JYMJSYZXGFWJRA-UHFFFAOYSA-N 0 0 434.495 6.635 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3Cl)oc2c1 ZINC000002991315 555875162 /nfs/dbraw/zinc/87/51/62/555875162.db2.gz RRQRKPYJFRGTMY-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000002991185 555875211 /nfs/dbraw/zinc/87/52/11/555875211.db2.gz JQGSRTCFIDULSU-UHFFFAOYSA-N 0 0 438.163 5.826 50 0 IKAARN CCCC[C@@H](C(=O)OCC)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002995012 555876066 /nfs/dbraw/zinc/87/60/66/555876066.db2.gz AJXXSRBEEFEXFV-ZETCQYMHSA-N 0 0 427.111 5.018 50 0 IKAARN Fc1cc(Cl)c(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1F ZINC000002997744 555876673 /nfs/dbraw/zinc/87/66/73/555876673.db2.gz CLFUVKVQRMYMHB-UHFFFAOYSA-N 0 0 427.907 6.217 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(Cl)c1 ZINC000002998127 555876678 /nfs/dbraw/zinc/87/66/78/555876678.db2.gz XDXATGHAOJNPGR-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN O=C(NCc1ccco1)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000003000497 555877651 /nfs/dbraw/zinc/87/76/51/555877651.db2.gz AQFCFHLIIJPYIN-UHFFFAOYSA-N 0 0 449.359 5.709 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000003002992 555877845 /nfs/dbraw/zinc/87/78/45/555877845.db2.gz AYNFCIVJFIQRSM-UHFFFAOYSA-N 0 0 428.555 6.080 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1CCOc1ccccc1Cl ZINC000003001317 555877876 /nfs/dbraw/zinc/87/78/76/555877876.db2.gz CTTDEUXFCZTAEB-UHFFFAOYSA-N 0 0 445.733 6.103 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000003002462 555877928 /nfs/dbraw/zinc/87/79/28/555877928.db2.gz WOBPLXZPNNBWLQ-UHFFFAOYSA-N 0 0 434.780 5.460 50 0 IKAARN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000003003947 555878188 /nfs/dbraw/zinc/87/81/88/555878188.db2.gz QPZZHVSGFYOYFM-UHFFFAOYSA-N 0 0 425.743 5.067 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000003003850 555878195 /nfs/dbraw/zinc/87/81/95/555878195.db2.gz QYIVLHQNRWQVCZ-DEDYPNTBSA-N 0 0 447.874 5.221 50 0 IKAARN CCCCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000003003485 555878209 /nfs/dbraw/zinc/87/82/09/555878209.db2.gz ABCMPRJBIWGOBC-UHFFFAOYSA-N 0 0 446.547 5.752 50 0 IKAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000003003652 555878232 /nfs/dbraw/zinc/87/82/32/555878232.db2.gz AKDODZURICGQTB-QGZVFWFLSA-N 0 0 448.588 6.336 50 0 IKAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 ZINC000003011622 555879071 /nfs/dbraw/zinc/87/90/71/555879071.db2.gz AOKRXBYQBKYXIW-QUCCMNQESA-N 0 0 444.457 5.421 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3cccc(Cl)c3F)C2=O)cc1)c1cccs1 ZINC000034734579 555879352 /nfs/dbraw/zinc/87/93/52/555879352.db2.gz CFIPPSJVXPWNDN-UHFFFAOYSA-N 0 0 443.931 5.625 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012845 555879945 /nfs/dbraw/zinc/87/99/45/555879945.db2.gz JYGHPBDHKZMLTL-UKRRQHHQSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012847 555879998 /nfs/dbraw/zinc/87/99/98/555879998.db2.gz JYGHPBDHKZMLTL-DZGCQCFKSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012853 555880000 /nfs/dbraw/zinc/88/00/00/555880000.db2.gz ABBREFQWGCYLPZ-OCCSQVGLSA-N 0 0 445.228 5.696 50 0 IKAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1Cl ZINC000003012894 555880007 /nfs/dbraw/zinc/88/00/07/555880007.db2.gz SJWWGBKWTLRJPC-BBRMVZONSA-N 0 0 440.809 5.051 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012876 555880014 /nfs/dbraw/zinc/88/00/14/555880014.db2.gz LCFBKBPNDGPVOP-DZGCQCFKSA-N 0 0 444.335 5.408 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1)C1CCCC1 ZINC000034734737 555880295 /nfs/dbraw/zinc/88/02/95/555880295.db2.gz IWMQFJBYMJLDRH-UHFFFAOYSA-N 0 0 446.378 5.954 50 0 IKAARN CC(C)C(=O)Nc1ccccc1N1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000034735185 555880332 /nfs/dbraw/zinc/88/03/32/555880332.db2.gz BOZBOJROKWNUKJ-UHFFFAOYSA-N 0 0 435.446 5.012 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)c1 ZINC000034734796 555880581 /nfs/dbraw/zinc/88/05/81/555880581.db2.gz AHUGQHCRTLCSMR-UHFFFAOYSA-N 0 0 427.548 5.317 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000003016951 555880950 /nfs/dbraw/zinc/88/09/50/555880950.db2.gz ZVNYJXLZBOJFDN-JOCHJYFZSA-N 0 0 447.943 6.227 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2cccc(F)c2)C1=O)c1ccc(Cl)cc1 ZINC000034734966 555881133 /nfs/dbraw/zinc/88/11/33/555881133.db2.gz DWIHVPYHFXRXBO-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(F)c3F)CC2)c1 ZINC000034725849 555882165 /nfs/dbraw/zinc/88/21/65/555882165.db2.gz HEEJQKPPWHVUHG-UHFFFAOYSA-N 0 0 449.545 5.286 50 0 IKAARN CCN(c1ccc2ccccc2c1)[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000003034894 555882395 /nfs/dbraw/zinc/88/23/95/555882395.db2.gz OUGIKJIJGQNZKU-GLBTYYSXSA-N 0 0 447.793 6.192 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000003080965 555884725 /nfs/dbraw/zinc/88/47/25/555884725.db2.gz NMZXCUWABHRLTN-UHFFFAOYSA-N 0 0 425.915 6.342 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2cc(F)ccc2F)C1=O)c1cccs1 ZINC000034735214 555885169 /nfs/dbraw/zinc/88/51/69/555885169.db2.gz IYINKTZUZLPKJJ-UHFFFAOYSA-N 0 0 427.476 5.111 50 0 IKAARN O=C(Cc1ccccc1)Nc1cccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c1 ZINC000034735313 555885487 /nfs/dbraw/zinc/88/54/87/555885487.db2.gz JIADQWFSRIOOBC-UHFFFAOYSA-N 0 0 433.939 5.354 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4ccccc4F)c3)C2=O)c1 ZINC000034735548 555885490 /nfs/dbraw/zinc/88/54/90/555885490.db2.gz RHMCJEBKEFEUDA-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 ZINC000034735486 555885521 /nfs/dbraw/zinc/88/55/21/555885521.db2.gz OWADWEMZIWHUFU-UHFFFAOYSA-N 0 0 447.604 5.885 50 0 IKAARN COc1cccc(CC(=O)Nc2cccc(N3CCCN(Cc4cccc(C)c4)C3=O)c2)c1 ZINC000034735311 555885534 /nfs/dbraw/zinc/88/55/34/555885534.db2.gz UELJARVSGJMPOL-UHFFFAOYSA-N 0 0 443.547 5.017 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3c(F)cccc3F)C2=O)cc1 ZINC000034735863 555886051 /nfs/dbraw/zinc/88/60/51/555886051.db2.gz MDRIZVZNZQSWHQ-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccccc2)C1=O)c1ccccc1 ZINC000034735794 555886104 /nfs/dbraw/zinc/88/61/04/555886104.db2.gz ZOHLGYAVNRYBGO-XMMPIXPASA-N 0 0 441.575 5.960 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c(NC(=O)OCc2ccccc2)c1 ZINC000034736053 555886415 /nfs/dbraw/zinc/88/64/15/555886415.db2.gz YJMTWSMDILSMTQ-UHFFFAOYSA-N 0 0 447.510 5.715 50 0 IKAARN Cc1ccc(N2CCCN([C@@H](C)c3ccccc3)C2=O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000034736243 555886670 /nfs/dbraw/zinc/88/66/70/555886670.db2.gz PCJRGYIRCXYQFU-FQEVSTJZSA-N 0 0 445.538 5.709 50 0 IKAARN Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)c1 ZINC000003100302 555886682 /nfs/dbraw/zinc/88/66/82/555886682.db2.gz USYPBRFOVBCQJD-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)CCCCC3)cc1 ZINC000003100267 555886717 /nfs/dbraw/zinc/88/67/17/555886717.db2.gz IOENLMCUTOTYCS-UHFFFAOYSA-N 0 0 435.549 5.315 50 0 IKAARN CCOc1ccccc1C(=O)NC(Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F ZINC000003103653 555887376 /nfs/dbraw/zinc/88/73/76/555887376.db2.gz ICIKEFWTYWIKCZ-UHFFFAOYSA-N 0 0 440.771 5.402 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)c4c(F)cccc4F)c3)C2=O)c1 ZINC000034736879 555887447 /nfs/dbraw/zinc/88/74/47/555887447.db2.gz DLSJTUYYCGKLKA-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN Cc1cccc(C(=O)Nc2cc(C)ccc2N2CCCN(Cc3cc(C)ccc3C)C2=O)c1 ZINC000034736965 555887980 /nfs/dbraw/zinc/88/79/80/555887980.db2.gz CFDWTAOEPPDFFO-UHFFFAOYSA-N 0 0 441.575 6.005 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(N3CCCN(Cc4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000034737492 555888501 /nfs/dbraw/zinc/88/85/01/555888501.db2.gz GGYFHQMPNSBGIL-UHFFFAOYSA-N 0 0 442.563 6.088 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCN([C@@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000034737534 555888516 /nfs/dbraw/zinc/88/85/16/555888516.db2.gz JSYFKTAPXFUVDV-FQEVSTJZSA-N 0 0 449.576 5.189 50 0 IKAARN COCCCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003119818 555888795 /nfs/dbraw/zinc/88/87/95/555888795.db2.gz CFWGBGJMMRYDLP-UHFFFAOYSA-N 0 0 448.007 6.364 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl ZINC000003121428 555889051 /nfs/dbraw/zinc/88/90/51/555889051.db2.gz ZYJRIPXKWRNNLE-SIFUEBAJSA-N 0 0 427.740 5.446 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(Br)cc2C2SCCS2)cc1 ZINC000003119875 555889097 /nfs/dbraw/zinc/88/90/97/555889097.db2.gz ZHLJUTFQLTXRET-UHFFFAOYSA-N 0 0 437.424 6.444 50 0 IKAARN O=S(=O)(Cc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003120066 555889120 /nfs/dbraw/zinc/88/91/20/555889120.db2.gz AAVZOPDUKLFRPY-UHFFFAOYSA-N 0 0 437.188 6.005 50 0 IKAARN O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl ZINC000003120055 555889126 /nfs/dbraw/zinc/88/91/26/555889126.db2.gz DLMMTTPYGQDXNO-UHFFFAOYSA-N 0 0 433.143 7.406 50 0 IKAARN O=C(COC(=O)c1ccccc1Sc1ccccc1)c1ccc(Br)cc1 ZINC000003127004 555889623 /nfs/dbraw/zinc/88/96/23/555889623.db2.gz XDDFUGDCXSYINV-UHFFFAOYSA-N 0 0 427.319 5.640 50 0 IKAARN O=S(=O)(Cc1cccc(-c2noc(-c3ccccc3Cl)n2)c1)c1ccc(Cl)cc1 ZINC000003126560 555889626 /nfs/dbraw/zinc/88/96/26/555889626.db2.gz ZGXWASDQOOTTOM-UHFFFAOYSA-N 0 0 445.327 5.684 50 0 IKAARN Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1 ZINC000003129763 555889912 /nfs/dbraw/zinc/88/99/12/555889912.db2.gz PBDPXVISTDPTFU-UHFFFAOYSA-N 0 0 430.525 6.721 50 0 IKAARN CCOC(=O)c1cc(C)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1 ZINC000003129514 555889933 /nfs/dbraw/zinc/88/99/33/555889933.db2.gz GUQYLPMGODNVAA-UHFFFAOYSA-N 0 0 441.371 6.667 50 0 IKAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000003127855 555889936 /nfs/dbraw/zinc/88/99/36/555889936.db2.gz TYOQUHHAICNGLI-FPOVZHCZSA-N 0 0 442.346 5.553 50 0 IKAARN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000003129506 555889986 /nfs/dbraw/zinc/88/99/86/555889986.db2.gz YXIFDERYVOQAKL-UHFFFAOYSA-N 0 0 433.739 5.816 50 0 IKAARN CCOc1ccc([C@H](OC(=O)c2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000003131094 555890500 /nfs/dbraw/zinc/89/05/00/555890500.db2.gz XVHYLHSHVOIPPH-HNNXBMFYSA-N 0 0 442.553 6.660 50 0 IKAARN Nc1ccccc1S[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000003135226 555890863 /nfs/dbraw/zinc/89/08/63/555890863.db2.gz PFFDXDRTYZNTEP-IBGZPJMESA-N 0 0 437.779 6.701 50 0 IKAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003135595 555890876 /nfs/dbraw/zinc/89/08/76/555890876.db2.gz ZHTDTNVWRMQKMD-LBPRGKRZSA-N 0 0 427.344 6.283 50 0 IKAARN FC(F)(F)COc1ccc(-c2nnc(SCc3ccccc3C(F)(F)F)o2)cn1 ZINC000003138432 555891145 /nfs/dbraw/zinc/89/11/45/555891145.db2.gz QTYTXUPEGCQQBD-UHFFFAOYSA-N 0 0 435.349 5.384 50 0 IKAARN Cc1cc(C)cc(NC(=S)Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1 ZINC000003138498 555891171 /nfs/dbraw/zinc/89/11/71/555891171.db2.gz FSPXBJDACFAMSK-UHFFFAOYSA-N 0 0 432.467 6.803 50 0 IKAARN O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003137878 555891198 /nfs/dbraw/zinc/89/11/98/555891198.db2.gz OSYLBJNSFICWEI-UHFFFAOYSA-N 0 0 445.146 5.993 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccccc3F)cc2)cc1)c1ccccc1F ZINC000003144510 555891727 /nfs/dbraw/zinc/89/17/27/555891727.db2.gz SBCZLIRJMIRRDR-UHFFFAOYSA-N 0 0 444.437 6.262 50 0 IKAARN O=C(NC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F ZINC000003170919 555893914 /nfs/dbraw/zinc/89/39/14/555893914.db2.gz WGSLQXKSYZVUSF-UHFFFAOYSA-N 0 0 437.229 6.026 50 0 IKAARN O=S(=O)(NCCSCc1csc2ccc(Cl)cc12)c1ccc(Cl)cc1 ZINC000003180687 555894871 /nfs/dbraw/zinc/89/48/71/555894871.db2.gz VJBRVLYVOZCTPA-UHFFFAOYSA-N 0 0 432.419 5.420 50 0 IKAARN Clc1ccc(C2=NC(c3ccccc3Cl)N=C(c3ccc(Cl)cc3)S2)cc1 ZINC000003179658 555894884 /nfs/dbraw/zinc/89/48/84/555894884.db2.gz GYEXAIJIVWVKID-UHFFFAOYSA-N 0 0 431.775 7.286 50 0 IKAARN Cc1c2c(n(Cc3ccccc3)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 ZINC000003185617 555895353 /nfs/dbraw/zinc/89/53/53/555895353.db2.gz UYBHKCAWYYCSRE-HKBQPEDESA-N 0 0 427.547 7.661 50 0 IKAARN C[C@@H](NC(=O)Nc1c(N)n(-c2ccc(Cl)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000034785089 555895982 /nfs/dbraw/zinc/89/59/82/555895982.db2.gz LKOOHIFNLBEVJY-MRXNPFEDSA-N 0 0 431.927 5.658 50 0 IKAARN Nc1c(NC(=O)NC2CCCC2)c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000034785308 555896197 /nfs/dbraw/zinc/89/61/97/555896197.db2.gz HOUBJOAKTFYTDR-UHFFFAOYSA-N 0 0 429.446 5.204 50 0 IKAARN O=C(c1cnn2c1nccc2-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000034786729 555896824 /nfs/dbraw/zinc/89/68/24/555896824.db2.gz YTBWWWUUOZTRAZ-UHFFFAOYSA-N 0 0 430.939 5.145 50 0 IKAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1 ZINC000034746382 555897448 /nfs/dbraw/zinc/89/74/48/555897448.db2.gz NNSRSFWJVOMXKO-JOCHJYFZSA-N 0 0 443.330 5.098 50 0 IKAARN Fc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccs2)CC3)c(F)c1 ZINC000034755585 555900480 /nfs/dbraw/zinc/90/04/80/555900480.db2.gz SQVGAWBVQGZOBM-UHFFFAOYSA-N 0 0 442.535 5.157 50 0 IKAARN CC1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(Cc2cccs2)CC3)CC1 ZINC000034755501 555900490 /nfs/dbraw/zinc/90/04/90/555900490.db2.gz OSZCQMNETFAPHY-UHFFFAOYSA-N 0 0 438.572 5.264 50 0 IKAARN CC1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(Cc2ccsc2)CC3)CC1 ZINC000034755763 555900957 /nfs/dbraw/zinc/90/09/57/555900957.db2.gz ILTWPBYYDVJMQM-UHFFFAOYSA-N 0 0 438.572 5.264 50 0 IKAARN CC(C)N(C)C(=O)c1cccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)c1 ZINC000034761076 555904100 /nfs/dbraw/zinc/90/41/00/555904100.db2.gz GKBVPBIKTCIOJE-UNOMPAQXSA-N 0 0 428.941 5.057 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000003243518 555907922 /nfs/dbraw/zinc/90/79/22/555907922.db2.gz OKTWENJTGXTPFI-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccc(F)cc3F)[C@@H](C)C1)=N2 ZINC000034812787 555909776 /nfs/dbraw/zinc/90/97/76/555909776.db2.gz WEEDQISTENCYAD-KRWDZBQOSA-N 0 0 447.485 5.304 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)C3CCCCC3)[C@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813379 555910047 /nfs/dbraw/zinc/91/00/47/555910047.db2.gz VYJBJAIVMHLPPZ-LJQANCHMSA-N 0 0 447.579 5.301 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccs3)[C@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813383 555910067 /nfs/dbraw/zinc/91/00/67/555910067.db2.gz NFVIUHVZBZSBKV-QGZVFWFLSA-N 0 0 447.560 5.096 50 0 IKAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)c2ccccc2)[C@H](C)C1 ZINC000034813057 555910110 /nfs/dbraw/zinc/91/01/10/555910110.db2.gz SZQRUYKQAIFIFG-LJQANCHMSA-N 0 0 441.531 5.034 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Cc3cccs3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034813621 555910382 /nfs/dbraw/zinc/91/03/82/555910382.db2.gz RFQAWFBRIOHCCS-GOSISDBHSA-N 0 0 431.561 5.016 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)OCc3ccccc3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034813639 555910391 /nfs/dbraw/zinc/91/03/91/555910391.db2.gz LQGDXQWJJUZODQ-HXUWFJFHSA-N 0 0 441.531 5.522 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)NC3CCCCC3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034814384 555910985 /nfs/dbraw/zinc/91/09/85/555910985.db2.gz TYRWKUSEWNIOJS-LJQANCHMSA-N 0 0 432.568 5.227 50 0 IKAARN COc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccc(C)cc43)CC2)cc1 ZINC000034814373 555911044 /nfs/dbraw/zinc/91/10/44/555911044.db2.gz CNBXNFGPISGBRA-UHFFFAOYSA-N 0 0 442.519 5.037 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Nc3cccc(F)c3)CC1)=Nc1ccccc1O2 ZINC000034814368 555911052 /nfs/dbraw/zinc/91/10/52/555911052.db2.gz ACSRXFQPPQAIOR-UHFFFAOYSA-N 0 0 430.483 5.168 50 0 IKAARN CCCCCCNC(=O)c1cc(-c2ccccc2OC)n2nc(-c3ccccc3)cc2n1 ZINC000034832921 555912878 /nfs/dbraw/zinc/91/28/78/555912878.db2.gz DJZQRXPZXDLNIX-UHFFFAOYSA-N 0 0 428.536 5.382 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@@H](C)C(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000034833072 555912938 /nfs/dbraw/zinc/91/29/38/555912938.db2.gz GNSRWFHOIPIIRK-KRWDZBQOSA-N 0 0 428.536 5.155 50 0 IKAARN O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833782 555913277 /nfs/dbraw/zinc/91/32/77/555913277.db2.gz AGEAMWUZKKRDHU-UHFFFAOYSA-N 0 0 439.906 5.042 50 0 IKAARN CC1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3cc(-c4ccccc4)nn32)CC1 ZINC000034833753 555913291 /nfs/dbraw/zinc/91/32/91/555913291.db2.gz POVKUIBUAIHMEK-UHFFFAOYSA-N 0 0 430.939 5.589 50 0 IKAARN COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834022 555913522 /nfs/dbraw/zinc/91/35/22/555913522.db2.gz ULNKQCIIUCWJCB-LJQANCHMSA-N 0 0 448.526 5.563 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21)c1ccccc1 ZINC000034833895 555913535 /nfs/dbraw/zinc/91/35/35/555913535.db2.gz OXEYQBVVNURBSI-GOSISDBHSA-N 0 0 436.490 5.693 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834014 555913537 /nfs/dbraw/zinc/91/35/37/555913537.db2.gz XWNOGLIRIHRGLX-UHFFFAOYSA-N 0 0 438.462 5.463 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3cc(-c4ccccc4)nn32)cc1C ZINC000034833884 555913543 /nfs/dbraw/zinc/91/35/43/555913543.db2.gz GNZUXSJFJWKKAR-UHFFFAOYSA-N 0 0 436.490 6.072 50 0 IKAARN CCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc21 ZINC000034836121 555914286 /nfs/dbraw/zinc/91/42/86/555914286.db2.gz FGHYXXCHHMPTQA-UHFFFAOYSA-N 0 0 446.591 5.005 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000034796958 555918025 /nfs/dbraw/zinc/91/80/25/555918025.db2.gz QQFZMOBVLBJVDI-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000034796973 555918363 /nfs/dbraw/zinc/91/83/63/555918363.db2.gz LBOBLYFFDQLUIY-SANMLTNESA-N 0 0 446.572 5.679 50 0 IKAARN CCS(=O)(=O)Oc1cccc(CN(C(=O)c2ccc(-c3ccccc3)cc2)C(C)C)c1 ZINC000034798508 555918745 /nfs/dbraw/zinc/91/87/45/555918745.db2.gz OVXMEPYUGSUEPZ-UHFFFAOYSA-N 0 0 437.561 5.133 50 0 IKAARN O=C(Nc1ccccc1F)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1 ZINC000034906503 555920320 /nfs/dbraw/zinc/92/03/20/555920320.db2.gz RNWRPZIPGQDEET-UHFFFAOYSA-N 0 0 434.559 5.611 50 0 IKAARN CCCCCc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907691 555921066 /nfs/dbraw/zinc/92/10/66/555921066.db2.gz YBCHWJLBDULAGZ-SANMLTNESA-N 0 0 438.571 7.205 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907695 555921077 /nfs/dbraw/zinc/92/10/77/555921077.db2.gz KOCGUOPNAVLYRY-OAQYLSRUSA-N 0 0 436.433 6.491 50 0 IKAARN COc1ccc(CC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908175 555921503 /nfs/dbraw/zinc/92/15/03/555921503.db2.gz CKNJFBIXUZFCQH-QHCPKHFHSA-N 0 0 430.479 5.549 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccc(F)cc4)nc3c2)cc1 ZINC000034908276 555921528 /nfs/dbraw/zinc/92/15/28/555921528.db2.gz DXKVQYCJKIOMTH-QHCPKHFHSA-N 0 0 429.495 5.677 50 0 IKAARN COc1ccccc1C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908330 555921561 /nfs/dbraw/zinc/92/15/61/555921561.db2.gz POPARVABLNBOBB-QHCPKHFHSA-N 0 0 441.531 5.547 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccccc4F)nc3c2)cc1 ZINC000034908304 555921567 /nfs/dbraw/zinc/92/15/67/555921567.db2.gz AYYWSMAQPCLVDH-QHCPKHFHSA-N 0 0 429.495 5.677 50 0 IKAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908148 555921579 /nfs/dbraw/zinc/92/15/79/555921579.db2.gz HWUPSMMQRCXTLG-JOCHJYFZSA-N 0 0 436.433 5.818 50 0 IKAARN O=C(c1ccco1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908363 555921853 /nfs/dbraw/zinc/92/18/53/555921853.db2.gz IUPLNUYXDNSHOO-GOSISDBHSA-N 0 0 426.394 6.084 50 0 IKAARN CCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908385 555921877 /nfs/dbraw/zinc/92/18/77/555921877.db2.gz QWMKGSSBSGKMJR-NRFANRHFSA-N 0 0 444.497 7.148 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)c(OC)c1 ZINC000034908516 555921951 /nfs/dbraw/zinc/92/19/51/555921951.db2.gz YOTSPSWAPJYRFW-JOCHJYFZSA-N 0 0 443.503 5.881 50 0 IKAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034908589 555922074 /nfs/dbraw/zinc/92/20/74/555922074.db2.gz SDWNHCSLUKBNFM-JOCHJYFZSA-N 0 0 427.504 6.181 50 0 IKAARN O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908662 555922084 /nfs/dbraw/zinc/92/20/84/555922084.db2.gz JFDNVDCRFAUIQD-OAQYLSRUSA-N 0 0 437.421 6.281 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908670 555922141 /nfs/dbraw/zinc/92/21/41/555922141.db2.gz CINYMWFGHWBGPV-JOCHJYFZSA-N 0 0 433.458 6.450 50 0 IKAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908721 555922378 /nfs/dbraw/zinc/92/23/78/555922378.db2.gz IZUJJHJONASTTL-QFIPXVFZSA-N 0 0 433.458 5.820 50 0 IKAARN O=C(NC1CCCCC1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908712 555922429 /nfs/dbraw/zinc/92/24/29/555922429.db2.gz JNZMDCVRDGTECN-NRFANRHFSA-N 0 0 425.479 5.952 50 0 IKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908734 555922494 /nfs/dbraw/zinc/92/24/94/555922494.db2.gz BHUJGKLJIZNSHL-JOCHJYFZSA-N 0 0 447.485 6.759 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3cccc(F)c3)nc2c1 ZINC000034908946 555922649 /nfs/dbraw/zinc/92/26/49/555922649.db2.gz QDBNIBCFSMAFNJ-NRFANRHFSA-N 0 0 431.467 6.012 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908987 555922690 /nfs/dbraw/zinc/92/26/90/555922690.db2.gz ZBUWANUYGYRJEF-NRFANRHFSA-N 0 0 438.936 5.674 50 0 IKAARN Cc1cc(NC(=O)c2cccc(Br)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909415 555923077 /nfs/dbraw/zinc/92/30/77/555923077.db2.gz WGBNBVVQBJAJSB-UHFFFAOYSA-N 0 0 425.113 5.502 50 0 IKAARN Cc1cccc(-n2nc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2-c2ccccc2)c1 ZINC000034910932 555923269 /nfs/dbraw/zinc/92/32/69/555923269.db2.gz QHQMTWIXBKLGDF-UHFFFAOYSA-N 0 0 436.559 5.338 50 0 IKAARN CC(C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 ZINC000034889638 555926996 /nfs/dbraw/zinc/92/69/96/555926996.db2.gz JJSALRRQNZDNNV-DEOSSOPVSA-N 0 0 448.969 6.529 50 0 IKAARN Cc1cccc([C@H](CC(=O)NC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000034889649 555927043 /nfs/dbraw/zinc/92/70/43/555927043.db2.gz MUHWGNYOFSGVKO-VWLOTQADSA-N 0 0 428.551 6.184 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1cccc2ccccc21 ZINC000003364856 555927305 /nfs/dbraw/zinc/92/73/05/555927305.db2.gz GHLCEEFNHSGGAG-UHFFFAOYSA-N 0 0 428.517 5.516 50 0 IKAARN CCOC(=O)COc1ccccc1/C=C\c1ccc2cccc(OCc3ccccc3)c2n1 ZINC000034897266 555927871 /nfs/dbraw/zinc/92/78/71/555927871.db2.gz HBPVJNOSTHINLM-ICFOKQHNSA-N 0 0 439.511 5.926 50 0 IKAARN C[C@@H](NC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2)c1ccccc1 ZINC000034898942 555928226 /nfs/dbraw/zinc/92/82/26/555928226.db2.gz NOATTZFZJXYSQJ-NFBKMPQASA-N 0 0 437.543 5.896 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898972 555928333 /nfs/dbraw/zinc/92/83/33/555928333.db2.gz OWPCOKGLMZVARL-NRFANRHFSA-N 0 0 441.506 5.475 50 0 IKAARN Cc1cc([C@H]2CCc3nc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3C2)ccc1F ZINC000034899000 555928477 /nfs/dbraw/zinc/92/84/77/555928477.db2.gz CNYUKEOJMWDBRA-QHCPKHFHSA-N 0 0 431.555 5.156 50 0 IKAARN CC[C@@H](C)NC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899088 555928514 /nfs/dbraw/zinc/92/85/14/555928514.db2.gz DQWUGPQYKYJXCD-VXGBXAGGSA-N 0 0 433.396 5.179 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c(-c3cc(C)cc(C)c3)nc3cc(C)ccn32)cc1 ZINC000034915046 555929866 /nfs/dbraw/zinc/92/98/66/555929866.db2.gz AUGJKMLJUOSZOS-UHFFFAOYSA-N 0 0 427.548 6.358 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000034915138 555929874 /nfs/dbraw/zinc/92/98/74/555929874.db2.gz FWWNQZPWLOCNRA-UHFFFAOYSA-N 0 0 438.453 6.589 50 0 IKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)Nc3cccc(C(F)(F)F)c3)n2c1 ZINC000034915104 555929947 /nfs/dbraw/zinc/92/99/47/555929947.db2.gz LBKXBZRIVJHSOE-UHFFFAOYSA-N 0 0 428.389 6.112 50 0 IKAARN COc1cc(C(=O)N2CCC(n3c(C)nc4cc(C(F)(F)F)ccc43)CC2)ccc1C ZINC000034915282 555930015 /nfs/dbraw/zinc/93/00/15/555930015.db2.gz BFIZECGWZJVGOV-UHFFFAOYSA-N 0 0 431.458 5.158 50 0 IKAARN CCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921375 555931786 /nfs/dbraw/zinc/93/17/86/555931786.db2.gz XFEHVFVKXFZQFK-UHFFFAOYSA-N 0 0 433.545 5.055 50 0 IKAARN CCCC[C@H](CC)C(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921364 555931799 /nfs/dbraw/zinc/93/17/99/555931799.db2.gz OJCZDPRUDRHZRL-IBGZPJMESA-N 0 0 447.572 5.301 50 0 IKAARN CCCC[C@@H](CC)C(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)CC)cc1 ZINC000034921459 555931881 /nfs/dbraw/zinc/93/18/81/555931881.db2.gz OTHNTUXTGPKBGI-OAQYLSRUSA-N 0 0 449.588 5.299 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CCCCC3)ccc2N(C)C)CC(C)C)c1 ZINC000034921524 555932055 /nfs/dbraw/zinc/93/20/55/555932055.db2.gz YRLVYJYOKUEHTO-UHFFFAOYSA-N 0 0 449.639 5.878 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921628 555932114 /nfs/dbraw/zinc/93/21/14/555932114.db2.gz OZPNDTYDWYQDPS-UHFFFAOYSA-N 0 0 439.600 5.188 50 0 IKAARN COc1cccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)Cc3ccccc3)no2)c1 ZINC000034922278 555932685 /nfs/dbraw/zinc/93/26/85/555932685.db2.gz ZESPNEKSRXAOHR-UHFFFAOYSA-N 0 0 430.479 5.261 50 0 IKAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)Nc3cc(C)cc(C)c3)CC(C)C)no2)c1 ZINC000034922655 555932957 /nfs/dbraw/zinc/93/29/57/555932957.db2.gz SWWJHSPTCDQIOR-UHFFFAOYSA-N 0 0 449.551 5.094 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)nc3cc(C)ccn32)cc1 ZINC000034913160 555934514 /nfs/dbraw/zinc/93/45/14/555934514.db2.gz XYTPVOGNYLJRTJ-UHFFFAOYSA-N 0 0 433.939 6.394 50 0 IKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034912662 555934517 /nfs/dbraw/zinc/93/45/17/555934517.db2.gz AKAUFQJWLLRZQJ-UHFFFAOYSA-N 0 0 426.303 5.877 50 0 IKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)c1ccc(Br)cc1 ZINC000034912713 555934545 /nfs/dbraw/zinc/93/45/45/555934545.db2.gz IEWFTEFWRSTMQZ-UHFFFAOYSA-N 0 0 436.309 5.333 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccccc2C(=O)N[C@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000003467033 555936002 /nfs/dbraw/zinc/93/60/02/555936002.db2.gz SVEQQWOKSJIXTJ-FGZHOGPDSA-N 0 0 428.576 5.902 50 0 IKAARN O=C(OCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000003618182 555941116 /nfs/dbraw/zinc/94/11/16/555941116.db2.gz MTPDBPKFWDCGJO-IBGZPJMESA-N 0 0 443.366 5.285 50 0 biogenic,in-vitro IKAARN Cc1cccc(Cc2c(C)nc3nc(SCc4c(F)cccc4Cl)nn3c2C)c1 ZINC000003631687 555942071 /nfs/dbraw/zinc/94/20/71/555942071.db2.gz UVYKFHKFLVEADF-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000003636405 555942528 /nfs/dbraw/zinc/94/25/28/555942528.db2.gz GSQAXZAJAWRJSG-QHCPKHFHSA-N 0 0 448.588 5.378 50 0 IKAARN Cc1ccc(C)c(CSc2nc3nc(C)c(Cc4ccc(F)cc4Cl)c(C)n3n2)c1 ZINC000003638313 555942739 /nfs/dbraw/zinc/94/27/39/555942739.db2.gz VRSSFEJNMRJXLZ-UHFFFAOYSA-N 0 0 440.975 6.034 50 0 IKAARN COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1C ZINC000003640696 555942968 /nfs/dbraw/zinc/94/29/68/555942968.db2.gz GHAKPHBTRVBQFK-HSZRJFAPSA-N 0 0 442.544 5.651 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000003653260 555943882 /nfs/dbraw/zinc/94/38/82/555943882.db2.gz LAQPABPFWRLVQM-QHCPKHFHSA-N 0 0 434.565 5.573 50 0 IKAARN Cc1cccc(Cn2cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1 ZINC000003652745 555943987 /nfs/dbraw/zinc/94/39/87/555943987.db2.gz ILTDUZGIWIOKNV-YDZHTSKRSA-N 0 0 441.918 5.749 50 0 IKAARN O=C1NC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000003659036 555944560 /nfs/dbraw/zinc/94/45/60/555944560.db2.gz BSLRRGUVLUSCMP-WSDLNYQXSA-N 0 0 445.881 5.579 50 0 IKAARN CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc21 ZINC000003669009 555945355 /nfs/dbraw/zinc/94/53/55/555945355.db2.gz GVAQNZHHNRWWKY-UHFFFAOYSA-N 0 0 445.470 5.310 50 0 IKAARN CC(C)c1ccc([C@@H]2CC(=Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000003670064 555945403 /nfs/dbraw/zinc/94/54/03/555945403.db2.gz ISWSLZYHGGNYOV-DEOSSOPVSA-N 0 0 437.370 7.201 50 0 IKAARN CCCCc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1ccc(Br)cc1)N2 ZINC000003672751 555945769 /nfs/dbraw/zinc/94/57/69/555945769.db2.gz NMIDGHGSVHONLN-FCHUYYIVSA-N 0 0 430.386 6.589 50 0 IKAARN CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000003770776 555946316 /nfs/dbraw/zinc/94/63/16/555946316.db2.gz VOXHDUBUDZOBBI-UHFFFAOYSA-N 0 0 443.397 5.049 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)oc2c(C)c1 ZINC000003770747 555946343 /nfs/dbraw/zinc/94/63/43/555946343.db2.gz IDWUQIKRHFEYCH-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4Br)c3C)oc2c(C)c1 ZINC000003770789 555946345 /nfs/dbraw/zinc/94/63/45/555946345.db2.gz MBBGNBYUMNDDAU-UHFFFAOYSA-N 0 0 435.321 6.435 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)oc2c1 ZINC000003770758 555946359 /nfs/dbraw/zinc/94/63/59/555946359.db2.gz KOSMSTXMPSFLKG-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 ZINC000003770769 555946363 /nfs/dbraw/zinc/94/63/63/555946363.db2.gz PZCDVWVNDIRPSR-UHFFFAOYSA-N 0 0 445.544 5.719 50 0 IKAARN COc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000003832874 555946930 /nfs/dbraw/zinc/94/69/30/555946930.db2.gz SPQBKLSFTDCVPD-UHFFFAOYSA-N 0 0 442.522 6.554 50 0 IKAARN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000003831128 555946951 /nfs/dbraw/zinc/94/69/51/555946951.db2.gz VKHAHZOOUSRJNA-GCNJZUOMSA-N 0 0 429.604 5.407 50 0 fda IKAARN Cc1ccc(C(c2ccc(C)o2)c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)o1 ZINC000003846763 555948474 /nfs/dbraw/zinc/94/84/74/555948474.db2.gz RRVUFAMSZPVECV-UHFFFAOYSA-N 0 0 426.512 7.653 50 0 biogenic IKAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)ccc1OCCC(C)C ZINC000003852051 555949349 /nfs/dbraw/zinc/94/93/49/555949349.db2.gz CYQDVWDGORMFRD-HMAPJEAMSA-N 0 0 446.576 5.411 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000003883009 555950890 /nfs/dbraw/zinc/95/08/90/555950890.db2.gz MVMDECIMXWXGAN-KDOFPFPSSA-N 0 0 448.589 5.029 50 0 IKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2c1CCCCC2 ZINC000004079743 555958986 /nfs/dbraw/zinc/95/89/86/555958986.db2.gz SDNNNNQMCGTKSH-UHFFFAOYSA-N 0 0 433.339 5.364 50 0 IKAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004109323 555963371 /nfs/dbraw/zinc/96/33/71/555963371.db2.gz PMZPXWIWNLLLIZ-LERMDLETSA-N 0 0 435.520 5.113 50 0 biogenic IKAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 ZINC000004174565 555973006 /nfs/dbraw/zinc/97/30/06/555973006.db2.gz KJORDJNCXCUSDH-WSCWJOSJSA-N 0 0 433.548 5.722 50 0 biogenic IKAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 ZINC000004174572 555973032 /nfs/dbraw/zinc/97/30/32/555973032.db2.gz KJORDJNCXCUSDH-PWAGRJGVSA-N 0 0 433.548 5.722 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(N)=O)C1 ZINC000004177933 555973842 /nfs/dbraw/zinc/97/38/42/555973842.db2.gz DXZBIWDYINQJBO-CQSZACIVSA-N 0 0 432.545 5.238 50 0 IKAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000004201893 555975998 /nfs/dbraw/zinc/97/59/98/555975998.db2.gz AYPMXCIGTQUCFB-RPWUZVMVSA-N 0 0 442.906 5.153 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(Br)cc3)c21)c1ccccc1 ZINC000004291031 555983455 /nfs/dbraw/zinc/98/34/55/555983455.db2.gz HCJITVNICOXKIJ-UHFFFAOYSA-N 0 0 441.375 6.096 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)COc2cc(C)ccc2C(C)C)[C@H]3CCC1 ZINC000004321447 555986451 /nfs/dbraw/zinc/98/64/51/555986451.db2.gz BYRLEBUQASPPDN-LVXARBLLSA-N 0 0 432.608 5.514 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000004348038 555988644 /nfs/dbraw/zinc/98/86/44/555988644.db2.gz IUGCIUAZVBKVJE-UHFFFAOYSA-N 0 0 428.576 5.788 50 0 IKAARN CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000004390646 555992391 /nfs/dbraw/zinc/99/23/91/555992391.db2.gz QWMVCBXXMZTKPJ-UHFFFAOYSA-N 0 0 431.624 7.017 50 0 IKAARN CCCC[C@H](CC)COC(=O)CCCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000004521837 555999319 /nfs/dbraw/zinc/99/93/19/555999319.db2.gz VJHINFRRDQUWOJ-ZEQRLZLVSA-N 0 0 426.682 7.626 50 0 IKAARN O=C(C[C@@H](c1ccc(Br)cc1)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531612 555999525 /nfs/dbraw/zinc/99/95/25/555999525.db2.gz BYDVZMZJQQWBQV-RTWAWAEBSA-N 0 0 447.800 6.999 50 0 IKAARN Cc1c(-n2c(-c3ccccc3)cs/c2=N\c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000004531392 555999543 /nfs/dbraw/zinc/99/95/43/555999543.db2.gz WWKQOFVVXKMTIY-RQZHXJHFSA-N 0 0 438.556 5.236 50 0 IKAARN Cc1ccc([C@H](CC(=O)c2ccc(Br)cc2)[C@H]2CCCCCCC2=O)cc1 ZINC000004531609 555999610 /nfs/dbraw/zinc/99/96/10/555999610.db2.gz NBFXIWLPQNJIRE-YADHBBJMSA-N 0 0 427.382 6.654 50 0 IKAARN O=C1CS[C@@H](c2ccc(Br)cc2)C(c2ccc(Br)cc2)=N1 ZINC000004528495 555999617 /nfs/dbraw/zinc/99/96/17/555999617.db2.gz SGAQCTCYHSNTIV-INIZCTEOSA-N 0 0 425.145 5.015 50 0 IKAARN Cc1ccc(N2N=C(c3c(C)cc(C)cc3C)C[C@H]2c2ccc(Br)cc2)cc1 ZINC000004528641 555999634 /nfs/dbraw/zinc/99/96/34/555999634.db2.gz LZESEBBQVXTIEY-DEOSSOPVSA-N 0 0 433.393 7.038 50 0 IKAARN O=C(C[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCCCC1=O)c1ccccc1Br ZINC000004531637 555999869 /nfs/dbraw/zinc/99/98/69/555999869.db2.gz PUUUZEBCVYVNKE-ICSRJNTNSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531614 555999881 /nfs/dbraw/zinc/99/98/81/555999881.db2.gz FIGZYBNHRIZPHX-RBUKOAKNSA-N 0 0 437.794 7.543 50 0 IKAARN Cc1ccc(NC(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2ccccc2)cc1 ZINC000004551923 556000860 /nfs/dbraw/zinc/00/08/60/556000860.db2.gz GYNAMFQIGQXKGG-RCCKNPSSSA-N 0 0 435.321 5.167 50 0 IKAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 ZINC000004614319 556004340 /nfs/dbraw/zinc/00/43/40/556004340.db2.gz DQYHLMDNBLKRNE-QPUVPPAHSA-N 0 0 429.604 6.178 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 ZINC000004614249 556004344 /nfs/dbraw/zinc/00/43/44/556004344.db2.gz VIMPXHPCMMPDIK-UHFFFAOYSA-N 0 0 426.560 5.999 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 ZINC000004628338 556004487 /nfs/dbraw/zinc/00/44/87/556004487.db2.gz MVZVQIAHZQVFAZ-UHFFFAOYSA-N 0 0 429.513 5.092 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1C ZINC000004660871 556005723 /nfs/dbraw/zinc/00/57/23/556005723.db2.gz WNKSOVUCYYNQLZ-GOSISDBHSA-N 0 0 425.594 6.310 50 0 IKAARN CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C ZINC000004683086 556005979 /nfs/dbraw/zinc/00/59/79/556005979.db2.gz YKGYQYOQRGPFTO-UHFFFAOYSA-N 0 0 426.682 7.626 50 0 IKAARN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1CCOc1ccc(C2CCCCC2)cc1 ZINC000004694429 556006602 /nfs/dbraw/zinc/00/66/02/556006602.db2.gz XETDZUGBNUKSNB-NDEPHWFRSA-N 0 0 427.544 5.463 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc2n1 ZINC000004757360 556009674 /nfs/dbraw/zinc/00/96/74/556009674.db2.gz LQQXRZZZECKLBL-OAHLLOKOSA-N 0 0 446.378 6.102 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 ZINC000004757326 556009679 /nfs/dbraw/zinc/00/96/79/556009679.db2.gz ALLJJVNISQJXSM-UHFFFAOYSA-N 0 0 432.351 5.714 50 0 IKAARN O=C(NC[C@H](c1ccccc1)C1CCCCC1)NC1c2ccccc2Oc2ccccc21 ZINC000004760918 556010277 /nfs/dbraw/zinc/01/02/77/556010277.db2.gz GVLIBYKYYQSRNA-XMMPIXPASA-N 0 0 426.560 6.545 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000004786597 556011943 /nfs/dbraw/zinc/01/19/43/556011943.db2.gz WGOKMNKWXWSQET-QHCPKHFHSA-N 0 0 444.922 5.626 50 0 IKAARN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000004828189 556013962 /nfs/dbraw/zinc/01/39/62/556013962.db2.gz XYJUBXQNPJCOJU-SXOMAYOGSA-N 0 0 425.528 5.912 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2)c(C(C)(C)CC)c1 ZINC000004831692 556014250 /nfs/dbraw/zinc/01/42/50/556014250.db2.gz ZLDGAQPTBIELNZ-UHFFFAOYSA-N 0 0 430.032 7.513 50 0 IKAARN COc1cccc(-c2nc3ccccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000004855402 556016361 /nfs/dbraw/zinc/01/63/61/556016361.db2.gz PPVBBXLKINKIPF-UHFFFAOYSA-N 0 0 428.576 7.002 50 0 IKAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@@H]1C=C[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000022649726 556017326 /nfs/dbraw/zinc/01/73/26/556017326.db2.gz FHTLEAXCLVZMMQ-WVBUVRCRSA-N 0 0 429.919 5.117 50 0 IKAARN Cc1c(C(=O)OCc2ccc(C)cc2)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911262 556020508 /nfs/dbraw/zinc/02/05/08/556020508.db2.gz OCLBMBQQLXXEGH-NRFANRHFSA-N 0 0 429.560 6.199 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1CCC1CCCCC1)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000004911852 556020519 /nfs/dbraw/zinc/02/05/19/556020519.db2.gz ULQGFOGTVVEILA-GOSISDBHSA-N 0 0 427.972 6.270 50 0 IKAARN C=COCC1CCC(COC(=O)CCCC(=O)OCC2CCC(COC=C)CC2)CC1 ZINC000004979074 556025315 /nfs/dbraw/zinc/02/53/15/556025315.db2.gz SDNBHBGJJPWRJG-UHFFFAOYSA-N 0 0 436.589 5.176 50 0 IKAARN CCCCOc1cccc(OCCCC)c1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000005013803 556028325 /nfs/dbraw/zinc/02/83/25/556028325.db2.gz FJYJGQSAVYZPLT-UHFFFAOYSA-N 0 0 429.557 5.034 50 0 IKAARN Clc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3[nH]2)cc1Cl ZINC000005296577 556043923 /nfs/dbraw/zinc/04/39/23/556043923.db2.gz ZOYNPLVVXAAWFR-UHFFFAOYSA-N 0 0 448.147 6.878 50 0 IKAARN O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2cc1-c1ccc2ccccc2n1 ZINC000006151127 556078261 /nfs/dbraw/zinc/07/82/61/556078261.db2.gz CQGOBGVFXSGXRG-UHFFFAOYSA-N 0 0 431.850 6.380 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1cc(C)c3ccccc3n1)CCCC2 ZINC000006154107 556078503 /nfs/dbraw/zinc/07/85/03/556078503.db2.gz SJDMPMSSSMBYLU-UHFFFAOYSA-N 0 0 440.590 5.391 50 0 IKAARN COc1cc2c(cc1NC(=O)c1cc(-c3ccccn3)nc3ccccc31)oc1ccccc12 ZINC000006181528 556079597 /nfs/dbraw/zinc/07/95/97/556079597.db2.gz FUZJXOCIHFYWEG-UHFFFAOYSA-N 0 0 445.478 6.457 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1-c1ccccc1 ZINC000006194001 556080057 /nfs/dbraw/zinc/08/00/57/556080057.db2.gz SFDAUWRWTZDBDT-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CC[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000006197449 556080180 /nfs/dbraw/zinc/08/01/80/556080180.db2.gz NEKIJDOCELLVQH-HHHXNRCGSA-N 0 0 430.617 6.513 50 0 IKAARN CC[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000006197576 556080223 /nfs/dbraw/zinc/08/02/23/556080223.db2.gz NEKIJDOCELLVQH-MHZLTWQESA-N 0 0 430.617 6.513 50 0 IKAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2ccccn2)cc1 ZINC000006244536 556082305 /nfs/dbraw/zinc/08/23/05/556082305.db2.gz HUFOBPILAZTOQT-BJKOFHAPSA-N 0 0 432.570 5.410 50 0 IKAARN Cc1ccc(-c2nnc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3)o2)cc1 ZINC000006246599 556082894 /nfs/dbraw/zinc/08/28/94/556082894.db2.gz MCNYGNREQOFECL-UHFFFAOYSA-N 0 0 439.544 5.893 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)c1 ZINC000006269537 556083262 /nfs/dbraw/zinc/08/32/62/556083262.db2.gz QVKQMEHYIQURRY-UHFFFAOYSA-N 0 0 432.904 5.149 50 0 IKAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000006270627 556083361 /nfs/dbraw/zinc/08/33/61/556083361.db2.gz HIDXZLMOXHHXTB-UHFFFAOYSA-N 0 0 428.513 5.407 50 0 IKAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cccc(OCc2cccc3ccccc32)c1 ZINC000006300074 556084598 /nfs/dbraw/zinc/08/45/98/556084598.db2.gz LRHVKXQKIFHXNT-UHFFFAOYSA-N 0 0 440.503 5.073 50 0 IKAARN CC[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)c1ccccc1 ZINC000006390413 556086320 /nfs/dbraw/zinc/08/63/20/556086320.db2.gz ZGAQFJOJMDSAJC-OAQYLSRUSA-N 0 0 446.348 5.940 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)c(OC(F)F)c1 ZINC000006431172 556087301 /nfs/dbraw/zinc/08/73/01/556087301.db2.gz HUSKUGQDZYCPJI-UHFFFAOYSA-N 0 0 439.849 6.112 50 0 IKAARN Clc1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000006446496 556088612 /nfs/dbraw/zinc/08/86/12/556088612.db2.gz CEOQQAGAAPWHJM-UHFFFAOYSA-N 0 0 431.971 6.376 50 0 IKAARN COc1ccc2nc(NC(=O)c3cc(-c4ccncc4)nc4ccc(C)cc43)sc2c1 ZINC000006456034 556088931 /nfs/dbraw/zinc/08/89/31/556088931.db2.gz WYWHAKNMZHXMFF-UHFFFAOYSA-N 0 0 426.501 5.476 50 0 IKAARN Cc1cc(CSc2nc3ccccc3[nH]2)c(C)cc1CSc1nc2ccccc2[nH]1 ZINC000006459144 556089648 /nfs/dbraw/zinc/08/96/48/556089648.db2.gz ZYJFAYKWFNHKHV-UHFFFAOYSA-N 0 0 430.602 6.641 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(I)c1 ZINC000006460757 556090123 /nfs/dbraw/zinc/09/01/23/556090123.db2.gz ADQQZIQOTBHDTB-UHFFFAOYSA-N 0 0 439.256 5.087 50 0 IKAARN Clc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 ZINC000006474872 556090683 /nfs/dbraw/zinc/09/06/83/556090683.db2.gz WKMUITVKQHGCDP-UHFFFAOYSA-N 0 0 446.790 7.187 50 0 IKAARN CCc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)c(Br)c1 ZINC000002429717 556095268 /nfs/dbraw/zinc/09/52/68/556095268.db2.gz MWWODKQNYUGPMV-UHFFFAOYSA-N 0 0 438.119 5.403 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)CC(C)C ZINC000006708779 556101961 /nfs/dbraw/zinc/10/19/61/556101961.db2.gz PYWSUXVSFSMFHF-UHFFFAOYSA-N 0 0 429.630 5.487 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000006722794 556102317 /nfs/dbraw/zinc/10/23/17/556102317.db2.gz SPDKHBBGQHBQDZ-HXUWFJFHSA-N 0 0 437.628 5.873 50 0 IKAARN C[C@@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2)c1ccccc1 ZINC000006732317 556102545 /nfs/dbraw/zinc/10/25/45/556102545.db2.gz VETUNSGQTQZBLA-MRXNPFEDSA-N 0 0 436.552 5.899 50 0 IKAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1C ZINC000006768359 556103544 /nfs/dbraw/zinc/10/35/44/556103544.db2.gz MMHBJCHKONHHQO-UHFFFAOYSA-N 0 0 442.625 5.274 50 0 IKAARN Cc1nc(NC(=O)c2sc3ccccc3c2Cl)ccc1I ZINC000006767149 556103622 /nfs/dbraw/zinc/10/36/22/556103622.db2.gz UOLWFARAHLAIGA-UHFFFAOYSA-N 0 0 428.682 5.115 50 0 IKAARN Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006798528 556104476 /nfs/dbraw/zinc/10/44/76/556104476.db2.gz KPPOFIRSUBRFRZ-FYJGNVAPSA-N 0 0 425.315 5.711 50 0 IKAARN COc1ccc(CN(C(=S)NCc2ccccc2)c2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000002534568 556105749 /nfs/dbraw/zinc/10/57/49/556105749.db2.gz LRMGMTCPKDSORV-UHFFFAOYSA-N 0 0 448.632 6.083 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3cc(Cl)ccc3C)nc(-c3ccccc3)nc12 ZINC000006860497 556106793 /nfs/dbraw/zinc/10/67/93/556106793.db2.gz OIQCZFBOQFETTC-UHFFFAOYSA-N 0 0 447.991 6.552 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3c(C)cccc3CC)nc(-c3ccccc3)nc12 ZINC000006860486 556106845 /nfs/dbraw/zinc/10/68/45/556106845.db2.gz PJOKZCZPJLLKGD-UHFFFAOYSA-N 0 0 441.600 6.461 50 0 IKAARN CN(Cc1ccccc1)C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000006878755 556108126 /nfs/dbraw/zinc/10/81/26/556108126.db2.gz MKNSDWNITYHCRX-UHFFFAOYSA-N 0 0 443.494 5.012 50 0 IKAARN COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000006924933 556110880 /nfs/dbraw/zinc/11/08/80/556110880.db2.gz AGZSEZUQYDOITD-JOCHJYFZSA-N 0 0 430.857 6.723 50 0 IKAARN COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000006924897 556110893 /nfs/dbraw/zinc/11/08/93/556110893.db2.gz AGZSEZUQYDOITD-QFIPXVFZSA-N 0 0 430.857 6.723 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000006924961 556110951 /nfs/dbraw/zinc/11/09/51/556110951.db2.gz FJBMAEXNZBYBBQ-XUZZJYLKSA-N 0 0 436.870 5.240 50 0 IKAARN O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1F ZINC000007003122 556113212 /nfs/dbraw/zinc/11/32/12/556113212.db2.gz QEBKCVBREMOWDK-WOJGMQOQSA-N 0 0 428.872 5.316 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000007060065 556114045 /nfs/dbraw/zinc/11/40/45/556114045.db2.gz JYHXHZALXFOZMW-GMAHTHKFSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)cc2)cc1 ZINC000007060000 556114210 /nfs/dbraw/zinc/11/42/10/556114210.db2.gz JGWUMCCSTANKIJ-JOCHJYFZSA-N 0 0 435.321 5.449 50 0 IKAARN COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000010588518 556116613 /nfs/dbraw/zinc/11/66/13/556116613.db2.gz JVTNHYCXSQFEJT-UHFFFAOYSA-N 0 0 428.513 5.231 50 0 IKAARN CCOc1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000010589348 556116910 /nfs/dbraw/zinc/11/69/10/556116910.db2.gz NCTNTXOCHRWMNE-UHFFFAOYSA-N 0 0 438.321 5.260 50 0 IKAARN CCOc1ccc(/N=c2\oc3c(cccc3OC)cc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002687468 556118979 /nfs/dbraw/zinc/11/89/79/556118979.db2.gz CVTSLXQXHLCDTB-QPLCGJKRSA-N 0 0 449.528 5.214 50 0 IKAARN O=C(c1cc(Cl)ccc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002685920 556119032 /nfs/dbraw/zinc/11/90/32/556119032.db2.gz ZMGDTOSRMXOYPC-OAQYLSRUSA-N 0 0 445.733 5.831 50 0 IKAARN CCCCCCc1cc2cc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)oc2cc1O ZINC000002688225 556119297 /nfs/dbraw/zinc/11/92/97/556119297.db2.gz HRLXHPNUQCDUBH-UHFFFAOYSA-N 0 0 438.904 5.247 50 0 IKAARN Fc1ccccc1Cn1cc2c(-c3ccc(Cl)cc3)nnc-2c2cc3c(cc21)OCCO3 ZINC000002688448 556119350 /nfs/dbraw/zinc/11/93/50/556119350.db2.gz AGUISAVYAZLVRY-UHFFFAOYSA-N 0 0 445.881 5.815 50 0 IKAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCO5)cc1 ZINC000002688264 556119387 /nfs/dbraw/zinc/11/93/87/556119387.db2.gz VDXCAYXTBBFNPX-UHFFFAOYSA-N 0 0 443.890 5.642 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1C ZINC000002690103 556120034 /nfs/dbraw/zinc/12/00/34/556120034.db2.gz HDZKASDJEOLLKW-UHFFFAOYSA-N 0 0 425.463 5.736 50 0 IKAARN CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002693148 556120468 /nfs/dbraw/zinc/12/04/68/556120468.db2.gz QXBYIYGWPHBTGU-UHFFFAOYSA-N 0 0 445.540 5.178 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1F ZINC000002692202 556120494 /nfs/dbraw/zinc/12/04/94/556120494.db2.gz MCMYCVBJYANLLO-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002692659 556120614 /nfs/dbraw/zinc/12/06/14/556120614.db2.gz DZZJXGDKVQTITJ-UHFFFAOYSA-N 0 0 439.895 5.400 50 0 IKAARN COc1ccc(CNc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)cc1 ZINC000002694368 556121112 /nfs/dbraw/zinc/12/11/12/556121112.db2.gz NYWSPUOTCIDLLG-UHFFFAOYSA-N 0 0 449.436 5.584 50 0 IKAARN Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002694397 556121152 /nfs/dbraw/zinc/12/11/52/556121152.db2.gz LQHJLPKEFSNWJS-UHFFFAOYSA-N 0 0 449.547 5.454 50 0 IKAARN CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc32)cc1 ZINC000002698727 556121522 /nfs/dbraw/zinc/12/15/22/556121522.db2.gz NWGYQBHIXLUNBM-UHFFFAOYSA-N 0 0 435.932 5.514 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1OC ZINC000002690618 556121685 /nfs/dbraw/zinc/12/16/85/556121685.db2.gz YIDNENBFMCWXTR-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN COc1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3Cl)n2)c1 ZINC000002690365 556121734 /nfs/dbraw/zinc/12/17/34/556121734.db2.gz LWVGGBLNSUOIDD-UHFFFAOYSA-N 0 0 440.728 6.465 50 0 IKAARN COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccc(Cl)cc3)c2cc1OC ZINC000002691302 556122082 /nfs/dbraw/zinc/12/20/82/556122082.db2.gz YHNIEIATCKQJRR-UHFFFAOYSA-N 0 0 429.907 5.922 50 0 IKAARN COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3cccc(F)c3)c2cc1OC ZINC000002691328 556122084 /nfs/dbraw/zinc/12/20/84/556122084.db2.gz RCXRJKHCXRYABV-UHFFFAOYSA-N 0 0 441.506 6.025 50 0 IKAARN COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3ccccc3F)c2cc1OC ZINC000002691316 556122088 /nfs/dbraw/zinc/12/20/88/556122088.db2.gz QNARIASJFCXJGK-UHFFFAOYSA-N 0 0 441.506 6.025 50 0 IKAARN CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1 ZINC000002691326 556122090 /nfs/dbraw/zinc/12/20/90/556122090.db2.gz PJQKSNLOURSHCL-UHFFFAOYSA-N 0 0 439.490 5.724 50 0 IKAARN COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC ZINC000002691361 556122346 /nfs/dbraw/zinc/12/23/46/556122346.db2.gz NYTUWWIBPCHWPE-UHFFFAOYSA-N 0 0 427.479 5.716 50 0 aggregator IKAARN Fc1ccc(CNc2nc3c(-c4cccc(Br)c4)nnn3c3ccccc32)cc1 ZINC000002713082 556122368 /nfs/dbraw/zinc/12/23/68/556122368.db2.gz GTLFDKDWNDFUMM-UHFFFAOYSA-N 0 0 448.299 5.458 50 0 IKAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000002703538 556123033 /nfs/dbraw/zinc/12/30/33/556123033.db2.gz JNGJTSQUGLNWAL-HSZRJFAPSA-N 0 0 445.902 5.243 50 0 IKAARN CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OCC)cc1 ZINC000002706343 556123853 /nfs/dbraw/zinc/12/38/53/556123853.db2.gz NUJHVFCLAWDDDQ-UHFFFAOYSA-N 0 0 429.615 5.257 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000002707301 556124127 /nfs/dbraw/zinc/12/41/27/556124127.db2.gz XACJGYUUYIEBNA-GOTSBHOMSA-N 0 0 428.517 5.217 50 0 IKAARN COc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 ZINC000002707463 556124176 /nfs/dbraw/zinc/12/41/76/556124176.db2.gz IIABCXAQRXQWLR-YADHBBJMSA-N 0 0 448.935 5.562 50 0 IKAARN CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2S[C@@H](C)CC)cc1 ZINC000002706347 556124181 /nfs/dbraw/zinc/12/41/81/556124181.db2.gz UHQXMLZAWGEGTG-INIZCTEOSA-N 0 0 429.615 5.256 50 0 IKAARN CSc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000002707431 556124183 /nfs/dbraw/zinc/12/41/83/556124183.db2.gz XWJJRFFVLPQTDN-FCHUYYIVSA-N 0 0 430.558 5.274 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000002707299 556124197 /nfs/dbraw/zinc/12/41/97/556124197.db2.gz XACJGYUUYIEBNA-XZOQPEGZSA-N 0 0 428.517 5.217 50 0 IKAARN CSc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000002707429 556124201 /nfs/dbraw/zinc/12/42/01/556124201.db2.gz XWJJRFFVLPQTDN-YADHBBJMSA-N 0 0 430.558 5.274 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CC[C@@H](CC)C2 ZINC000002708175 556124430 /nfs/dbraw/zinc/12/44/30/556124430.db2.gz PCEUAUHOKAPLBU-UONOGXRCSA-N 0 0 431.623 5.878 50 0 IKAARN COc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 ZINC000002707468 556124539 /nfs/dbraw/zinc/12/45/39/556124539.db2.gz IIABCXAQRXQWLR-FGZHOGPDSA-N 0 0 448.935 5.562 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccc(Br)cc2)CCS3)cc1 ZINC000002719804 556126028 /nfs/dbraw/zinc/12/60/28/556126028.db2.gz VAALMYNAURUBJN-UHFFFAOYSA-N 0 0 445.407 5.244 50 0 IKAARN O=c1c2c(nc(SCc3ccc(Br)cc3)n1-c1ccc(F)cc1)CCS2 ZINC000002719973 556126272 /nfs/dbraw/zinc/12/62/72/556126272.db2.gz RTVVFBGWAUKVEC-UHFFFAOYSA-N 0 0 449.370 5.075 50 0 IKAARN O=c1c2c(nc(SCc3cccc(F)c3)n1-c1ccc(Br)cc1)CCS2 ZINC000002720041 556126495 /nfs/dbraw/zinc/12/64/95/556126495.db2.gz MSAUIGKCFKMPFZ-UHFFFAOYSA-N 0 0 449.370 5.075 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCc2ccccc2F)cc1 ZINC000002721742 556127681 /nfs/dbraw/zinc/12/76/81/556127681.db2.gz WKQLTDZQDZOEMY-UHFFFAOYSA-N 0 0 445.562 5.976 50 0 IKAARN O=C(Cc1cccs1)NCCSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000002721224 556127697 /nfs/dbraw/zinc/12/76/97/556127697.db2.gz HXVDUBSCRLLWST-UHFFFAOYSA-N 0 0 426.994 6.001 50 0 aggregator IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2S[C@H](C)c2ccccc2)cc1 ZINC000002721834 556127701 /nfs/dbraw/zinc/12/77/01/556127701.db2.gz SKXAGEMYXRQWRI-MRXNPFEDSA-N 0 0 425.531 5.929 50 0 IKAARN O=S(=O)(c1nc(-c2cccs2)oc1SCc1ccccc1F)c1ccc(F)cc1 ZINC000002721763 556127727 /nfs/dbraw/zinc/12/77/27/556127727.db2.gz SZRGELFADSIFGZ-UHFFFAOYSA-N 0 0 449.525 5.806 50 0 IKAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1SCc1ccccc1F)c1ccccc1 ZINC000002721730 556127743 /nfs/dbraw/zinc/12/77/43/556127743.db2.gz HBEUAWKYQMOSDS-UHFFFAOYSA-N 0 0 443.496 5.745 50 0 IKAARN O=C(COc1ccccc1)NCCSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000002721220 556127752 /nfs/dbraw/zinc/12/77/52/556127752.db2.gz WCDDGOHUBGFNHD-UHFFFAOYSA-N 0 0 436.964 5.776 50 0 IKAARN O=C(/C=C/c1ccccc1)NCCSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000002721221 556127756 /nfs/dbraw/zinc/12/77/56/556127756.db2.gz BLBYYDZWLZNCTQ-XNTDXEJSSA-N 0 0 432.976 6.410 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccs1)C(=S)NCc1ccccc1 ZINC000002722427 556128214 /nfs/dbraw/zinc/12/82/14/556128214.db2.gz LBJRTQWBNXZKFS-UHFFFAOYSA-N 0 0 433.646 5.966 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccs1)C(=S)Nc1ccc(F)cc1 ZINC000002722501 556128236 /nfs/dbraw/zinc/12/82/36/556128236.db2.gz NHOPLLMNEBNZPZ-UHFFFAOYSA-N 0 0 441.572 6.258 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccs1)C(=S)Nc1cccc(F)c1 ZINC000002722500 556128270 /nfs/dbraw/zinc/12/82/70/556128270.db2.gz ROSZFUCJNBKYMC-UHFFFAOYSA-N 0 0 441.572 6.258 50 0 IKAARN COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002714619 556129783 /nfs/dbraw/zinc/12/97/83/556129783.db2.gz CHUZCOWCCRCZOO-UHFFFAOYSA-N 0 0 440.934 6.362 50 0 IKAARN Fc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002714452 556129793 /nfs/dbraw/zinc/12/97/93/556129793.db2.gz PEESHPSQBNOOEO-UHFFFAOYSA-N 0 0 428.898 6.492 50 0 IKAARN COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002714434 556129802 /nfs/dbraw/zinc/12/98/02/556129802.db2.gz HVFBMXABDVYYKJ-UHFFFAOYSA-N 0 0 440.934 6.362 50 0 IKAARN CC(C)c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002714455 556129818 /nfs/dbraw/zinc/12/98/18/556129818.db2.gz NUDCZQLLIWDKOX-UHFFFAOYSA-N 0 0 438.962 7.608 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccc(Cl)c2)cc1 ZINC000002715179 556130120 /nfs/dbraw/zinc/13/01/20/556130120.db2.gz WUCWCMWYPHQAAD-UHFFFAOYSA-N 0 0 440.934 6.362 50 0 IKAARN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCCCC2)cc1 ZINC000002715057 556130175 /nfs/dbraw/zinc/13/01/75/556130175.db2.gz AMPJVUICWINWDE-UHFFFAOYSA-N 0 0 447.380 6.230 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cc(C)cc(C)c2)cc1 ZINC000002715278 556130201 /nfs/dbraw/zinc/13/02/01/556130201.db2.gz DESBWZCAUGCOQE-UHFFFAOYSA-N 0 0 434.543 6.847 50 0 IKAARN CCOc1ccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2cc(C)ccc2O3)cc1 ZINC000002716014 556130460 /nfs/dbraw/zinc/13/04/60/556130460.db2.gz RVUHTQSDZAHPKU-UHFFFAOYSA-N 0 0 440.568 6.840 50 0 IKAARN O=c1[nH]c(SCc2ccc(Br)cc2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000002717806 556131388 /nfs/dbraw/zinc/13/13/88/556131388.db2.gz JJSUQFFGNYVZEA-UHFFFAOYSA-N 0 0 447.745 5.229 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000002736774 556131963 /nfs/dbraw/zinc/13/19/63/556131963.db2.gz LNZKKRIMLFITCE-JZUUQJBKSA-N 0 0 425.594 6.213 50 0 IKAARN O=c1c2c(nc(SC(c3ccccc3)c3ccccc3)n1-c1ccccc1)CCS2 ZINC000002719712 556131990 /nfs/dbraw/zinc/13/19/90/556131990.db2.gz VDEQXFIFSKYQCB-UHFFFAOYSA-N 0 0 428.582 5.762 50 0 IKAARN CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1C(=O)OC(C)C ZINC000002737600 556132181 /nfs/dbraw/zinc/13/21/81/556132181.db2.gz DEOJEJBUUZELHV-UHFFFAOYSA-N 0 0 446.956 6.053 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002737662 556132217 /nfs/dbraw/zinc/13/22/17/556132217.db2.gz CHXIBUSQXJQPDC-OAHLLOKOSA-N 0 0 429.582 5.727 50 0 IKAARN Cc1nc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)sc1C ZINC000002739294 556132439 /nfs/dbraw/zinc/13/24/39/556132439.db2.gz ZMCLLSSZNIXZRA-UHFFFAOYSA-N 0 0 438.350 5.990 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc(C)c1-c1ccccc1 ZINC000002739393 556132516 /nfs/dbraw/zinc/13/25/16/556132516.db2.gz QGBPUKBLMBMTOA-UHFFFAOYSA-N 0 0 431.460 5.754 50 0 IKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002739964 556132521 /nfs/dbraw/zinc/13/25/21/556132521.db2.gz GPXLNIVOYLRPLU-UHFFFAOYSA-N 0 0 440.852 7.135 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCCCC2 ZINC000002737856 556132524 /nfs/dbraw/zinc/13/25/24/556132524.db2.gz BGODKEFQUAUFLP-UHFFFAOYSA-N 0 0 426.365 6.143 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21)c1ccccc1 ZINC000002740240 556132742 /nfs/dbraw/zinc/13/27/42/556132742.db2.gz MMCBIMDIPNTXRJ-MRXNPFEDSA-N 0 0 431.333 6.155 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000002741888 556132968 /nfs/dbraw/zinc/13/29/68/556132968.db2.gz CKIOQCCIDMODTH-SHRNQRGKSA-N 0 0 439.621 6.388 50 0 IKAARN O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1 ZINC000002742424 556133050 /nfs/dbraw/zinc/13/30/50/556133050.db2.gz INCLYXILDPGFNY-UHFFFAOYSA-N 0 0 449.967 5.264 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724767 556133344 /nfs/dbraw/zinc/13/33/44/556133344.db2.gz YRQGARKVIQQXCA-XMMPIXPASA-N 0 0 434.486 5.446 50 0 IKAARN Cc1cc(NC(=S)Nc2cccc3ccccc32)nn1Cc1cccc(C(F)(F)F)c1 ZINC000002728359 556133909 /nfs/dbraw/zinc/13/39/09/556133909.db2.gz YOHYPFHXDDHPKX-UHFFFAOYSA-N 0 0 440.494 6.221 50 0 IKAARN S=C(Nc1ccn(Cc2ccccc2Cl)n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002732890 556134907 /nfs/dbraw/zinc/13/49/07/556134907.db2.gz CXFUEDUOAWAOCT-UHFFFAOYSA-N 0 0 447.007 5.984 50 0 IKAARN Cc1nn(CCCn2c(=O)c3ccccc3nc2SCc2cccc(C)c2)cc1Cl ZINC000002733798 556135160 /nfs/dbraw/zinc/13/51/60/556135160.db2.gz JPHUOODKJTXXNP-UHFFFAOYSA-N 0 0 438.984 5.246 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1CCn1cc(Cl)cn1 ZINC000002733945 556135394 /nfs/dbraw/zinc/13/53/94/556135394.db2.gz KARFNODVAAZORT-UHFFFAOYSA-N 0 0 449.338 5.031 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c2ccccc2n1 ZINC000002761594 556135722 /nfs/dbraw/zinc/13/57/22/556135722.db2.gz NJTMJPLGKJNNSA-UHFFFAOYSA-N 0 0 439.515 5.536 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)sc2c1 ZINC000002763531 556135966 /nfs/dbraw/zinc/13/59/66/556135966.db2.gz NWSGMQJVJNADQS-UHFFFAOYSA-N 0 0 430.917 5.055 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c1 ZINC000002764492 556135999 /nfs/dbraw/zinc/13/59/99/556135999.db2.gz PELSJPKKJWNDJK-UHFFFAOYSA-N 0 0 442.309 5.298 50 0 IKAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002764775 556136040 /nfs/dbraw/zinc/13/60/40/556136040.db2.gz PFEYBICTBIVMCI-UHFFFAOYSA-N 0 0 427.479 5.564 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3c(C)onc3-c3ccccc3Cl)c2C(N)=O)C1 ZINC000002744778 556136324 /nfs/dbraw/zinc/13/63/24/556136324.db2.gz GQIRPFHYTNYTQF-GFCCVEGCSA-N 0 0 443.956 5.231 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCO3)C[C@H](C(C)(C)C)CC2 ZINC000002745173 556136328 /nfs/dbraw/zinc/13/63/28/556136328.db2.gz LUORGKDMJGWJMI-CQSZACIVSA-N 0 0 429.538 5.057 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccn(C(=O)c2ccc(Cl)cc2Cl)n1 ZINC000002748148 556136681 /nfs/dbraw/zinc/13/66/81/556136681.db2.gz JCYHNJDFFZVQLK-UHFFFAOYSA-N 0 0 429.090 5.438 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](CC)C3)cc1 ZINC000002752806 556137259 /nfs/dbraw/zinc/13/72/59/556137259.db2.gz BUYVBINZHHUZIV-MRXNPFEDSA-N 0 0 429.582 5.871 50 0 IKAARN CCn1cc([C@@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)c(C)n1 ZINC000002755153 556137520 /nfs/dbraw/zinc/13/75/20/556137520.db2.gz DVFQRNNQEMPJSL-MRXNPFEDSA-N 0 0 432.955 5.879 50 0 IKAARN CCc1ccc(-c2c(C)sc(NC(=O)c3cccc(Cl)c3Cl)c2C(N)=O)cc1 ZINC000002754932 556137544 /nfs/dbraw/zinc/13/75/44/556137544.db2.gz CCCDILCZNPWZQR-UHFFFAOYSA-N 0 0 433.360 5.944 50 0 IKAARN CCn1cc([C@H](C)NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)c(C)n1 ZINC000002760346 556137749 /nfs/dbraw/zinc/13/77/49/556137749.db2.gz AFTSZJAFPUKFDD-SFHVURJKSA-N 0 0 440.591 6.215 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000002759941 556137812 /nfs/dbraw/zinc/13/78/12/556137812.db2.gz GNWSEDNUHJUTEN-UHFFFAOYSA-N 0 0 427.291 5.454 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000002758534 556137818 /nfs/dbraw/zinc/13/78/18/556137818.db2.gz RGSRZFKDRJWART-KRWDZBQOSA-N 0 0 428.963 7.629 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)c1 ZINC000002760038 556137823 /nfs/dbraw/zinc/13/78/23/556137823.db2.gz BGVYOEHXCDSVDW-UHFFFAOYSA-N 0 0 442.515 5.959 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(C)c(C)c1 ZINC000002759572 556137825 /nfs/dbraw/zinc/13/78/25/556137825.db2.gz ZNMMEWZPMUQXSX-FQEVSTJZSA-N 0 0 440.392 6.039 50 0 IKAARN Cc1cc(NC(=O)c2sc3c(c2Cl)c(OC(F)F)ccc3Br)no1 ZINC000002784136 556138288 /nfs/dbraw/zinc/13/82/88/556138288.db2.gz WOEHBFSOOZWTDT-UHFFFAOYSA-N 0 0 437.649 5.467 50 0 IKAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000002782994 556138319 /nfs/dbraw/zinc/13/83/19/556138319.db2.gz KKCSJPRAGMVFQN-OAHLLOKOSA-N 0 0 438.336 5.317 50 0 IKAARN Cc1ccc(Cn2cnnc2NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000002783467 556138322 /nfs/dbraw/zinc/13/83/22/556138322.db2.gz GQKDCKMLDAEMAP-UHFFFAOYSA-N 0 0 444.535 5.491 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC000002783033 556138382 /nfs/dbraw/zinc/13/83/82/556138382.db2.gz SHFQALJZOFTQNF-KUHUBIRLSA-N 0 0 429.582 5.463 50 0 IKAARN c1cc(-c2nc3c4c5c(sc4ncn3n2)CCC5)oc1COc1ccc2c(c1)CCC2 ZINC000002786183 556138528 /nfs/dbraw/zinc/13/85/28/556138528.db2.gz ITXHTKWEGLLUIW-UHFFFAOYSA-N 0 0 428.517 5.155 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2n1 ZINC000002785395 556138598 /nfs/dbraw/zinc/13/85/98/556138598.db2.gz FYVDUYJQHRNPEI-IBGZPJMESA-N 0 0 438.571 6.699 50 0 IKAARN Cc1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Br ZINC000002787126 556138890 /nfs/dbraw/zinc/13/88/90/556138890.db2.gz VEDGWPXJILEJQB-UHFFFAOYSA-N 0 0 435.041 5.249 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)cc1 ZINC000002767391 556139607 /nfs/dbraw/zinc/13/96/07/556139607.db2.gz YEXZBNZTVFUNFK-UHFFFAOYSA-N 0 0 439.515 5.729 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 ZINC000002790461 556139624 /nfs/dbraw/zinc/13/96/24/556139624.db2.gz JHYGPZOPGFKZRI-LBPRGKRZSA-N 0 0 436.371 5.453 50 0 IKAARN COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)C[C@H](C)CC6)o2)cc1 ZINC000002790355 556139652 /nfs/dbraw/zinc/13/96/52/556139652.db2.gz QSINOUHYVDUAFC-CQSZACIVSA-N 0 0 446.532 5.311 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccc(Br)cc32)no1 ZINC000002765833 556139684 /nfs/dbraw/zinc/13/96/84/556139684.db2.gz ZDKBVJXRRPETHW-UHFFFAOYSA-N 0 0 436.309 5.830 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1ccccc1Cl ZINC000002767367 556139707 /nfs/dbraw/zinc/13/97/07/556139707.db2.gz ZSKYNOUXEAHENN-UHFFFAOYSA-N 0 0 441.980 6.795 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002767413 556139713 /nfs/dbraw/zinc/13/97/13/556139713.db2.gz XBYYQMNKYPGRPV-UHFFFAOYSA-N 0 0 444.771 5.309 50 0 IKAARN Cc1sc(NC(=O)CCCc2ccccc2)c(C(N)=O)c1-c1ccc(Cl)cc1Cl ZINC000002769089 556139892 /nfs/dbraw/zinc/13/98/92/556139892.db2.gz OKJJOLJDEYMPNY-UHFFFAOYSA-N 0 0 447.387 6.091 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1C ZINC000002768832 556139920 /nfs/dbraw/zinc/13/99/20/556139920.db2.gz FGAZQZPIGBPDBY-IBGZPJMESA-N 0 0 428.963 6.971 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc(C)c1-c1ccc(F)cc1 ZINC000002768885 556139950 /nfs/dbraw/zinc/13/99/50/556139950.db2.gz GTQRPHMTSGOOOB-AWEZNQCLSA-N 0 0 427.497 5.445 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H]3CCCO3)c3cc(Br)ccc3n2)cc1 ZINC000002770054 556140194 /nfs/dbraw/zinc/14/01/94/556140194.db2.gz GYQKMXIXNNUOHB-QRQCRPRQSA-N 0 0 439.353 5.270 50 0 IKAARN C[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(COc6ccc(F)cc6)o5)nc4c23)C1 ZINC000002790804 556140231 /nfs/dbraw/zinc/14/02/31/556140231.db2.gz IBFFNFXBOPLQBF-CYBMUJFWSA-N 0 0 434.496 5.442 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000002774506 556140402 /nfs/dbraw/zinc/14/04/02/556140402.db2.gz HVFQHNWAHZUCKN-UHFFFAOYSA-N 0 0 446.934 5.545 50 0 IKAARN O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Br)cc1Br ZINC000002773993 556140470 /nfs/dbraw/zinc/14/04/70/556140470.db2.gz RBALQFOYIZGIKD-FNORWQNLSA-N 0 0 433.502 5.656 50 0 IKAARN O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002800495 556142411 /nfs/dbraw/zinc/14/24/11/556142411.db2.gz BNKBIMBQIWXFBJ-UHFFFAOYSA-N 0 0 448.697 5.194 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(Cl)c(C(=O)OC)sc2c1)n1nc(C)c(Cl)c1C ZINC000002805189 556143367 /nfs/dbraw/zinc/14/33/67/556143367.db2.gz SMHRKIXISOAKOK-CYBMUJFWSA-N 0 0 440.352 5.398 50 0 IKAARN O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)Nc1c(F)c(F)cc(F)c1F ZINC000002805467 556143600 /nfs/dbraw/zinc/14/36/00/556143600.db2.gz IRHJDWQCCOOUOV-UHFFFAOYSA-N 0 0 443.425 5.584 50 0 IKAARN Cc1scc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C(N)=O)c1C ZINC000002795247 556145262 /nfs/dbraw/zinc/14/52/62/556145262.db2.gz WNRSODMTERSOEL-UHFFFAOYSA-N 0 0 425.362 5.751 50 0 IKAARN CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)NC3CCCCC3)c3ccccc3n2)c1 ZINC000002797318 556145753 /nfs/dbraw/zinc/14/57/53/556145753.db2.gz QAIFTSUICILCCT-UHFFFAOYSA-N 0 0 447.604 5.626 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000002836013 556146066 /nfs/dbraw/zinc/14/60/66/556146066.db2.gz FJUIADLFVDKJAP-HRFSGMKKSA-N 0 0 440.587 6.517 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000002840241 556146136 /nfs/dbraw/zinc/14/61/36/556146136.db2.gz LLPFRRLNPMZERP-UHFFFAOYSA-N 0 0 433.758 5.691 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCCC3)c1ccc(Oc2ccccc2)cc1 ZINC000002889477 556147458 /nfs/dbraw/zinc/14/74/58/556147458.db2.gz LUZBLYQAISCTOK-UHFFFAOYSA-N 0 0 446.597 6.728 50 0 IKAARN Cc1sc2ncnc(SCC(=O)Nc3nsc(-c4ccc(Cl)cc4)n3)c2c1C ZINC000002889261 556147545 /nfs/dbraw/zinc/14/75/45/556147545.db2.gz BSSLKALCFLNXMK-UHFFFAOYSA-N 0 0 447.998 5.211 50 0 IKAARN c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1-c1ccc(C2CCCCC2)cc1 ZINC000002911878 556148680 /nfs/dbraw/zinc/14/86/80/556148680.db2.gz AWXAJFGOFLKFKB-UHFFFAOYSA-N 0 0 426.585 8.394 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000002915345 556149109 /nfs/dbraw/zinc/14/91/09/556149109.db2.gz JYJZEMKRIHSWLE-LOSJGSFVSA-N 0 0 440.934 5.761 50 0 IKAARN COc1ccccc1Oc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)cc1 ZINC000002890649 556149119 /nfs/dbraw/zinc/14/91/19/556149119.db2.gz CUBJGOLEVCWCRQ-UHFFFAOYSA-N 0 0 437.439 5.245 50 0 IKAARN COc1ccc(C(=O)N[C@@H](Sc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002905458 556149692 /nfs/dbraw/zinc/14/96/92/556149692.db2.gz MRIRDTYIRGDISF-HNNXBMFYSA-N 0 0 425.164 5.567 50 0 in-vivo IKAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000002908650 556149703 /nfs/dbraw/zinc/14/97/03/556149703.db2.gz MVXCNDBUPDVXIN-UHFFFAOYSA-N 0 0 428.966 5.461 50 0 IKAARN O=c1c2sccc2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1 ZINC000002908724 556149780 /nfs/dbraw/zinc/14/97/80/556149780.db2.gz FSWDDZGMTGGYIJ-UHFFFAOYSA-N 0 0 447.354 5.641 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1Cl ZINC000002936131 556150053 /nfs/dbraw/zinc/15/00/53/556150053.db2.gz KEGHPGMRDMKVIY-UHFFFAOYSA-N 0 0 447.705 6.716 50 0 IKAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(C(F)(F)F)cc1 ZINC000002925018 556150694 /nfs/dbraw/zinc/15/06/94/556150694.db2.gz SCLLLBPFSXMDTH-UHFFFAOYSA-N 0 0 429.876 5.608 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccc2c(c1)OCO2 ZINC000002970060 556151842 /nfs/dbraw/zinc/15/18/42/556151842.db2.gz MFSUWJRDGZPAON-UHFFFAOYSA-N 0 0 436.920 5.119 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc2c(c1)OCO2 ZINC000002970061 556151875 /nfs/dbraw/zinc/15/18/75/556151875.db2.gz DIOPZRKGXQRYET-UHFFFAOYSA-N 0 0 436.920 5.119 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2ccccc2)cc1 ZINC000002974799 556152757 /nfs/dbraw/zinc/15/27/57/556152757.db2.gz OUICTWJDDDSLHH-UHFFFAOYSA-N 0 0 434.543 6.141 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC2=CCCCC2)cc1Cl ZINC000002974739 556152861 /nfs/dbraw/zinc/15/28/61/556152861.db2.gz UOEOLHDPPZKIGP-UHFFFAOYSA-N 0 0 442.994 7.352 50 0 IKAARN CCc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 ZINC000002974960 556153180 /nfs/dbraw/zinc/15/31/80/556153180.db2.gz IMQXEZOUCWNNLS-UHFFFAOYSA-N 0 0 438.962 7.355 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)nc2c1 ZINC000002978824 556153546 /nfs/dbraw/zinc/15/35/46/556153546.db2.gz FTJPFDWWMDHYIM-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000002983660 556154187 /nfs/dbraw/zinc/15/41/87/556154187.db2.gz KTSWZWCRQXPCSF-UHFFFAOYSA-N 0 0 445.544 5.719 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000002983772 556154193 /nfs/dbraw/zinc/15/41/93/556154193.db2.gz DTRCPPSLMFOHAO-UHFFFAOYSA-N 0 0 445.997 5.769 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000002984893 556154265 /nfs/dbraw/zinc/15/42/65/556154265.db2.gz VOMKFHUGEXPQPB-UHFFFAOYSA-N 0 0 447.585 5.797 50 0 IKAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccccc4C)cc3N2)cc1 ZINC000003011679 556155493 /nfs/dbraw/zinc/15/54/93/556155493.db2.gz PELFPPGQBMYPCU-IEBWSBKVSA-N 0 0 430.430 5.113 50 0 IKAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccccc4C)cc3N2)cc1 ZINC000003011678 556155572 /nfs/dbraw/zinc/15/55/72/556155572.db2.gz PELFPPGQBMYPCU-PKOBYXMFSA-N 0 0 430.430 5.113 50 0 IKAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccccc4C)cc3N2)cc1 ZINC000003011681 556155582 /nfs/dbraw/zinc/15/55/82/556155582.db2.gz PELFPPGQBMYPCU-HKUYNNGSSA-N 0 0 430.430 5.113 50 0 IKAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 ZINC000003011646 556155646 /nfs/dbraw/zinc/15/56/46/556155646.db2.gz KQQNLEVBHLEXGC-MJGOQNOKSA-N 0 0 430.430 5.113 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000002991081 556155823 /nfs/dbraw/zinc/15/58/23/556155823.db2.gz HLGUAIWZVOBANR-UHFFFAOYSA-N 0 0 445.544 5.801 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000003018024 556158569 /nfs/dbraw/zinc/15/85/69/556158569.db2.gz IWAVYOQTXDCYGQ-UHFFFAOYSA-N 0 0 439.462 5.369 50 0 IKAARN CC(C)C(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000008383287 556158919 /nfs/dbraw/zinc/15/89/19/556158919.db2.gz KOIFSYMWNGJYQB-QHCPKHFHSA-N 0 0 435.907 5.716 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1 ZINC000008383510 556159099 /nfs/dbraw/zinc/15/90/99/556159099.db2.gz HLURFQKZPWVNQP-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)cc1C ZINC000008383504 556159139 /nfs/dbraw/zinc/15/91/39/556159139.db2.gz SWKDOPLOUUHYAX-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccccc3cc2OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000008383467 556159151 /nfs/dbraw/zinc/15/91/51/556159151.db2.gz WTBUIVWTMQOMJW-UHFFFAOYSA-N 0 0 429.903 6.316 50 0 IKAARN CCc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)cc(Br)cc12 ZINC000008383687 556159454 /nfs/dbraw/zinc/15/94/54/556159454.db2.gz MQMYIXJYJMPTPQ-UHFFFAOYSA-N 0 0 445.360 6.787 50 0 IKAARN Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000008383522 556159487 /nfs/dbraw/zinc/15/94/87/556159487.db2.gz FJORUGUAHNFPRT-UHFFFAOYSA-N 0 0 444.534 7.563 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383678 556159496 /nfs/dbraw/zinc/15/94/96/556159496.db2.gz ADPIXNRAJXWMMI-MRXNPFEDSA-N 0 0 449.959 6.662 50 0 IKAARN Cc1cc(C)c([C@@]2(c3ccccc3)SC(c3ccccc3)=NN2c2ccccc2)c(C)c1 ZINC000008383956 556159676 /nfs/dbraw/zinc/15/96/76/556159676.db2.gz AGZVIDBAQCTFRI-GDLZYMKVSA-N 0 0 434.608 7.428 50 0 IKAARN Cc1ccc(S(=O)(=O)N=S=C(Sc2ccccc2)c2c(C)cc(C)cc2C)cc1 ZINC000008383816 556159726 /nfs/dbraw/zinc/15/97/26/556159726.db2.gz VNAFAWSOEOBJNY-UHFFFAOYSA-N 0 0 441.643 5.846 50 0 IKAARN Ic1ccccc1/C=C\c1ccccc1I ZINC000008384015 556159971 /nfs/dbraw/zinc/15/99/71/556159971.db2.gz USIHSGFBWDCXLN-KTKRTIGZSA-N 0 0 432.042 5.066 50 0 IKAARN CCCCCOc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1OC ZINC000008384851 556160566 /nfs/dbraw/zinc/16/05/66/556160566.db2.gz OZSUWYNHOOSAFC-UHFFFAOYSA-N 0 0 446.547 5.123 50 0 IKAARN CSc1cc(-c2ccccc2)n(-c2ccccc2C)c(=S)c1C(=O)c1ccccc1 ZINC000008384970 556160590 /nfs/dbraw/zinc/16/05/90/556160590.db2.gz FUKAFLKFQTUZKA-UHFFFAOYSA-N 0 0 427.594 7.135 50 0 IKAARN O=C1[C@@H](Oc2ccccc2)[C@@]2(c3ccccc3)C[C@@H](c3ccccc3)Sc3ccccc3N12 ZINC000008385781 556161477 /nfs/dbraw/zinc/16/14/77/556161477.db2.gz QRYJUSMKRBSNCZ-GKRYNVPLSA-N 0 0 449.575 6.613 50 0 IKAARN COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000008386744 556162144 /nfs/dbraw/zinc/16/21/44/556162144.db2.gz UCFUGLYTZVPZHR-HSZRJFAPSA-N 0 0 426.438 6.078 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC(C)(C)C)cc1 ZINC000008386612 556162153 /nfs/dbraw/zinc/16/21/53/556162153.db2.gz TYCSXLYCKWGVEI-QNGOZBTKSA-N 0 0 436.939 5.594 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2Br)cc1 ZINC000008386762 556162176 /nfs/dbraw/zinc/16/21/76/556162176.db2.gz SUJATHMRCGUZGF-JOCHJYFZSA-N 0 0 441.756 6.467 50 0 IKAARN COc1ccc([C@@H]2Nc3c(sc4nc5c(c(-c6ccccc6)c43)CCC5)C(=O)N2)cc1 ZINC000008386906 556162509 /nfs/dbraw/zinc/16/25/09/556162509.db2.gz RZZKGSRCGOHNOK-HSZRJFAPSA-N 0 0 427.529 5.315 50 0 IKAARN CC[C@@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O ZINC000008395936 556163072 /nfs/dbraw/zinc/16/30/72/556163072.db2.gz UDIXAHMHOUVQON-NEIHUHTASA-N 0 0 447.560 5.423 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000008396480 556163629 /nfs/dbraw/zinc/16/36/29/556163629.db2.gz CIJDQEKUGMEWLJ-UHFFFAOYSA-N 0 0 429.361 7.209 50 0 IKAARN CCc1c(C)sc(NC(=O)/C=C/c2ccc(Br)cc2)c1C(=O)OC(C)C ZINC000008396940 556163879 /nfs/dbraw/zinc/16/38/79/556163879.db2.gz GNLQAKMCEPPBHY-DHZHZOJOSA-N 0 0 436.371 5.599 50 0 IKAARN COc1cccc([C@H]2CC(c3cccs3)=NN2c2ccc(Br)cc2)c1OC ZINC000008396908 556163948 /nfs/dbraw/zinc/16/39/48/556163948.db2.gz QOVKSZRHXJPLKJ-GOSISDBHSA-N 0 0 443.366 5.884 50 0 IKAARN c1ccc(COc2cccc([C@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)c2)cc1 ZINC000008397623 556164169 /nfs/dbraw/zinc/16/41/69/556164169.db2.gz NROMPVSVWHCGPF-LMSSTIIKSA-N 0 0 432.523 6.508 50 0 IKAARN COc1cc(Cl)cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)c1OC ZINC000008397376 556164206 /nfs/dbraw/zinc/16/42/06/556164206.db2.gz BNPRAJKVIMXRLP-UHFFFAOYSA-N 0 0 444.962 7.117 50 0 IKAARN CCn1c2ccccc2c2cc([C@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)ccc21 ZINC000008397595 556164213 /nfs/dbraw/zinc/16/42/13/556164213.db2.gz SGBUYXOKZMIPTR-MFMCTBQISA-N 0 0 443.550 7.057 50 0 IKAARN CCOc1ccc(/C=C/c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)cc1OC ZINC000008398612 556165049 /nfs/dbraw/zinc/16/50/49/556165049.db2.gz AHRCREYJSUBJCF-NTEUORMPSA-N 0 0 445.946 7.045 50 0 IKAARN Cc1c(C2(c3c(C)n(C)c4ccccc43)c3cc(F)ccc3NC2=O)c2ccccc2n1C ZINC000008398661 556165146 /nfs/dbraw/zinc/16/51/46/556165146.db2.gz HPHKJRHZDNDBQS-UHFFFAOYSA-N 0 0 437.518 5.712 50 0 IKAARN Cc1c(C(=O)c2ccccc2)c2cc(OC(=O)c3ccccc3)ccc2n1-c1ccccc1 ZINC000008400133 556165895 /nfs/dbraw/zinc/16/58/95/556165895.db2.gz XRRVZASLSJHSNF-UHFFFAOYSA-N 0 0 431.491 6.389 50 0 IKAARN CC(C)(C)c1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(C(C)(C)C)c1O ZINC000008400693 556166238 /nfs/dbraw/zinc/16/62/38/556166238.db2.gz CVOSHAAHDIKXCY-MOSHPQCFSA-N 0 0 441.568 6.363 50 0 IKAARN c1ccc(Oc2ccc(-c3nc(-c4cccc5ccccc54)[nH]c3-c3ccccc3)cc2)cc1 ZINC000008408146 556166770 /nfs/dbraw/zinc/16/67/70/556166770.db2.gz JFSVRRDJCSOZIF-UHFFFAOYSA-N 0 0 438.530 8.356 50 0 IKAARN O=c1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)coc2ccc(Br)cc21 ZINC000008411080 556167119 /nfs/dbraw/zinc/16/71/19/556167119.db2.gz FQQLTAANKIQOPC-UHFFFAOYSA-N 0 0 443.300 6.280 50 0 IKAARN O=C(CSCc1ccccc1Cl)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000008417758 556167759 /nfs/dbraw/zinc/16/77/59/556167759.db2.gz VKPXKKJSDMMLMN-UHFFFAOYSA-N 0 0 436.920 5.013 50 0 IKAARN CCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000008425391 556168257 /nfs/dbraw/zinc/16/82/57/556168257.db2.gz COGMEKUTJZKSIN-DEOSSOPVSA-N 0 0 449.348 5.573 50 0 IKAARN Cc1ccc2c(nc3s/c(=C/c4cn(Cc5ccccc5)c5ccccc45)c(=O)n23)c1C ZINC000008425978 556168549 /nfs/dbraw/zinc/16/85/49/556168549.db2.gz GLZIBFFCOSLGSH-ZVHZXABRSA-N 0 0 435.552 5.077 50 0 IKAARN CCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1ccc(Br)cc1 ZINC000008425711 556168561 /nfs/dbraw/zinc/16/85/61/556168561.db2.gz MEGZDPLOEKFBDF-BZZOAKBMSA-N 0 0 441.438 7.279 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccc(Br)cc1)O2 ZINC000008426569 556168818 /nfs/dbraw/zinc/16/88/18/556168818.db2.gz ZNTXVVJENFSVJT-YLJYHZDGSA-N 0 0 445.769 6.406 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000008426622 556169076 /nfs/dbraw/zinc/16/90/76/556169076.db2.gz YATKPBYGTXMBDD-FYYLOGMGSA-N 0 0 425.370 6.207 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008426693 556169083 /nfs/dbraw/zinc/16/90/83/556169083.db2.gz LHPLRBDMNKVZTA-XUZZJYLKSA-N 0 0 447.332 5.510 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCCCC2)cc1 ZINC000008426719 556169129 /nfs/dbraw/zinc/16/91/29/556169129.db2.gz OOOACTPWUSQMHU-LJQANCHMSA-N 0 0 431.761 6.306 50 0 IKAARN FC(F)(F)c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2Cl)c1 ZINC000008427278 556169652 /nfs/dbraw/zinc/16/96/52/556169652.db2.gz RQUKCQIIDVSERG-OAQYLSRUSA-N 0 0 435.276 7.368 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2 ZINC000008430026 556170269 /nfs/dbraw/zinc/17/02/69/556170269.db2.gz LSEFRFXCYUDJGN-DZBNJKESSA-N 0 0 428.963 6.889 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000008430367 556170308 /nfs/dbraw/zinc/17/03/08/556170308.db2.gz OQMVRPMMXDBMJB-HAHDFKILSA-N 0 0 427.500 5.626 50 0 IKAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 ZINC000008430478 556170438 /nfs/dbraw/zinc/17/04/38/556170438.db2.gz XZBPLKWEYPOIEE-NHCUHLMSSA-N 0 0 428.271 5.258 50 0 IKAARN CCOC(=O)C(C)(C)Oc1cccc2c3cccc(OC(C)(C)C(=O)OCC)c3sc21 ZINC000008431249 556170828 /nfs/dbraw/zinc/17/08/28/556170828.db2.gz CRNIWHNTHBGVJX-UHFFFAOYSA-N 0 0 444.549 5.496 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000008431612 556171080 /nfs/dbraw/zinc/17/10/80/556171080.db2.gz PTTWWHYHBOAEDB-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccc(-n2c(/C=C/c3cccc(Br)c3)nc3ccccc3c2=O)cc1 ZINC000008431500 556171118 /nfs/dbraw/zinc/17/11/18/556171118.db2.gz CYZOURFAUDNZNR-NTEUORMPSA-N 0 0 433.305 5.327 50 0 IKAARN FC(F)Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008431593 556171186 /nfs/dbraw/zinc/17/11/86/556171186.db2.gz XHTIYMJMMBWIKS-UNMCSNQZSA-N 0 0 426.850 6.184 50 0 IKAARN COc1cccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)c1 ZINC000008431850 556171387 /nfs/dbraw/zinc/17/13/87/556171387.db2.gz OKUNMLTXEGNANW-SDNWHVSQSA-N 0 0 433.305 5.327 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000008431670 556171462 /nfs/dbraw/zinc/17/14/62/556171462.db2.gz WBKNHCQLPMRUBW-KOPYOMKSSA-N 0 0 426.947 6.777 50 0 IKAARN Cc1nn(Cc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1Br ZINC000008432424 556171721 /nfs/dbraw/zinc/17/17/21/556171721.db2.gz OTOOVFDIROSTTJ-UHFFFAOYSA-N 0 0 442.401 5.009 50 0 aggregator IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)c2ccccc2n3C)cc1 ZINC000008432207 556171766 /nfs/dbraw/zinc/17/17/66/556171766.db2.gz CHALOZHLJVOAIS-MHZLTWQESA-N 0 0 433.511 6.111 50 0 IKAARN CCCCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000008432588 556171810 /nfs/dbraw/zinc/17/18/10/556171810.db2.gz RTYRWEGVMFXONU-UHFFFAOYSA-N 0 0 442.386 8.161 50 0 IKAARN c1ccc(Oc2cccc(OCCCCOc3cccc(Oc4ccccc4)c3)c2)cc1 ZINC000008432868 556172104 /nfs/dbraw/zinc/17/21/04/556172104.db2.gz ULPZZWNOMOMNOR-UHFFFAOYSA-N 0 0 426.512 7.509 50 0 IKAARN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3cccc(Cl)c3)sc2c1 ZINC000008438337 556174271 /nfs/dbraw/zinc/17/42/71/556174271.db2.gz LBFNIGXMNBGYOI-UHFFFAOYSA-N 0 0 436.945 6.043 50 0 IKAARN COC(=O)[C@H]1[C@H](C)[C@@]2(c3ccccc3)S[C@]1(c1ccccc1)c1nc3ccccc3n12 ZINC000008438832 556174911 /nfs/dbraw/zinc/17/49/11/556174911.db2.gz DLAJHNRRWGNSMQ-AFSZODMDSA-N 0 0 426.541 5.167 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(OCC)cc1 ZINC000008439108 556175122 /nfs/dbraw/zinc/17/51/22/556175122.db2.gz HUVVENJXNSFKOB-UHFFFAOYSA-N 0 0 441.549 5.232 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000008439110 556175170 /nfs/dbraw/zinc/17/51/70/556175170.db2.gz HBTPLGQHXKIAEJ-KRWDZBQOSA-N 0 0 441.593 6.173 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000008439077 556175255 /nfs/dbraw/zinc/17/52/55/556175255.db2.gz BREJFFGAJSXKDL-UHFFFAOYSA-N 0 0 439.577 5.759 50 0 IKAARN COc1ccccc1OCCn1c2ccccc2nc1SCCOc1ccc(C)cc1 ZINC000008439904 556175916 /nfs/dbraw/zinc/17/59/16/556175916.db2.gz UYZNVJPEAZBFMY-UHFFFAOYSA-N 0 0 434.561 5.603 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)c1 ZINC000008440363 556176513 /nfs/dbraw/zinc/17/65/13/556176513.db2.gz WTZHSXFSKRXBFW-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3cccc4ccccc43)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442249 556177197 /nfs/dbraw/zinc/17/71/97/556177197.db2.gz HDZWLZAXCRWLFQ-YFDLUXDKSA-N 0 0 434.583 7.694 50 0 IKAARN Fc1ccc(Cn2c3ccccc3nc2SCc2ccc(Br)cc2)cc1 ZINC000008442350 556177349 /nfs/dbraw/zinc/17/73/49/556177349.db2.gz CFYALZSLNKQDHX-UHFFFAOYSA-N 0 0 427.342 6.279 50 0 IKAARN O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCCC1 ZINC000008442763 556177692 /nfs/dbraw/zinc/17/76/92/556177692.db2.gz YQJNQNCMRPJDFG-UHFFFAOYSA-N 0 0 427.492 5.467 50 0 IKAARN COc1cccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 ZINC000008442728 556177696 /nfs/dbraw/zinc/17/76/96/556177696.db2.gz NLNGMPLJWKWFIF-UHFFFAOYSA-N 0 0 437.443 5.275 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008442696 556177716 /nfs/dbraw/zinc/17/77/16/556177716.db2.gz NDCSEGKPMQNFEE-UHFFFAOYSA-N 0 0 449.378 5.854 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000008442729 556177750 /nfs/dbraw/zinc/17/77/50/556177750.db2.gz INVDGZBXQXIRMU-UHFFFAOYSA-N 0 0 435.471 5.883 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 ZINC000008442770 556177758 /nfs/dbraw/zinc/17/77/58/556177758.db2.gz OONMABNCULGBQV-GDBMZVCRSA-N 0 0 435.837 5.153 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000008444767 556179298 /nfs/dbraw/zinc/17/92/98/556179298.db2.gz UANNKVWIAGLVDX-DAVKGZNBSA-N 0 0 444.501 5.242 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4)c3N2)cc1 ZINC000008444654 556179311 /nfs/dbraw/zinc/17/93/11/556179311.db2.gz HGPIEWULRCWKKL-QZTJIDSGSA-N 0 0 434.849 5.758 50 0 IKAARN COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3Sc4ccccc4N32)cc1 ZINC000008445291 556179645 /nfs/dbraw/zinc/17/96/45/556179645.db2.gz KKYBTJTWIDCDHC-UHFFFAOYSA-N 0 0 431.361 5.245 50 0 IKAARN Cc1ccc(-c2c(-c3nnnn3-c3ccccc3)cnn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000008445442 556179668 /nfs/dbraw/zinc/17/96/68/556179668.db2.gz XWIGLXOJJOEIEI-UHFFFAOYSA-N 0 0 447.329 5.797 50 0 IKAARN Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3Cl)c2C(F)(F)F)cc1 ZINC000008445470 556179670 /nfs/dbraw/zinc/17/96/70/556179670.db2.gz FZFXFMMFRPZFCF-UHFFFAOYSA-N 0 0 439.228 5.149 50 0 IKAARN Clc1ccc2ncc(-c3nnnn3-c3ccc4ccccc4c3)c(-c3ccccc3)c2c1 ZINC000008445466 556179690 /nfs/dbraw/zinc/17/96/90/556179690.db2.gz CMMIHIUVPIGYHT-UHFFFAOYSA-N 0 0 433.902 6.351 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H](C)c1ccccc1)CC[C@H](C)C2 ZINC000008445623 556179917 /nfs/dbraw/zinc/17/99/17/556179917.db2.gz YDAXBNUJGDQMFF-WMZOPIPTSA-N 0 0 432.589 5.925 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c1 ZINC000008445959 556180165 /nfs/dbraw/zinc/18/01/65/556180165.db2.gz HDDGIXWCUUOELP-UHFFFAOYSA-N 0 0 431.536 6.092 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c(C)c1 ZINC000008445960 556180167 /nfs/dbraw/zinc/18/01/67/556180167.db2.gz JOYMSFCKRGAVJR-UHFFFAOYSA-N 0 0 445.563 6.400 50 0 IKAARN Cc1ccc(NC(=O)NCCNc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000008445669 556180180 /nfs/dbraw/zinc/18/01/80/556180180.db2.gz MCUZXVQCELIAPW-UHFFFAOYSA-N 0 0 441.573 6.496 50 0 IKAARN O=C(c1oc2ccccc2c1-c1cnc2c(c1)COc1ccc(Cl)cc1-2)c1ccccc1 ZINC000008448333 556180427 /nfs/dbraw/zinc/18/04/27/556180427.db2.gz VUSWYMHLZRRBTE-UHFFFAOYSA-N 0 0 437.882 6.939 50 0 IKAARN Cc1ccc(C(=O)c2sc3nc(-c4ccc(F)cc4)cc(-c4ccccc4)c3c2N)cc1 ZINC000008448430 556180476 /nfs/dbraw/zinc/18/04/76/556180476.db2.gz HRVCIIYRZMQPKS-UHFFFAOYSA-N 0 0 438.527 6.891 50 0 IKAARN O=C(c1oc2ccccc2c1-c1cnc2c(c1)COc1ccccc1-2)c1ccc(Cl)cc1 ZINC000008448332 556180488 /nfs/dbraw/zinc/18/04/88/556180488.db2.gz ZBATZGXNOJSBQM-UHFFFAOYSA-N 0 0 437.882 6.939 50 0 IKAARN Cc1cc2n(n1)[C@@H](c1c(OCc3ccccc3)ccc3ccccc31)Nc1c(C)cccc1-2 ZINC000008450557 556181291 /nfs/dbraw/zinc/18/12/91/556181291.db2.gz YBJOEBRVPHPGLH-LJAQVGFWSA-N 0 0 431.539 6.872 50 0 IKAARN O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)C(c1ccccc1)c1ccccc1 ZINC000008450245 556181333 /nfs/dbraw/zinc/18/13/33/556181333.db2.gz NOGSPQMFHMQQKI-UHFFFAOYSA-N 0 0 433.463 5.225 50 0 IKAARN Cc1cc(C)n(-c2ncnc3c2sc2nc4c(c(-c5ccc(Cl)cc5)c23)CCC4)n1 ZINC000008450779 556181612 /nfs/dbraw/zinc/18/16/12/556181612.db2.gz GJEMMTNICNRYNQ-UHFFFAOYSA-N 0 0 431.952 5.851 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000008452483 556182770 /nfs/dbraw/zinc/18/27/70/556182770.db2.gz RFVBBRWHORINCC-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c2)c1 ZINC000008452533 556183082 /nfs/dbraw/zinc/18/30/82/556183082.db2.gz BHHMHUNBGIGFPH-SFHVURJKSA-N 0 0 449.982 6.236 50 0 IKAARN O=C(COc1ccc(Br)cc1Cl)NC1CCCCCCCCCCC1 ZINC000008452699 556183088 /nfs/dbraw/zinc/18/30/88/556183088.db2.gz QHBIVYSCBDGSOI-UHFFFAOYSA-N 0 0 430.814 6.271 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 ZINC000008452526 556183178 /nfs/dbraw/zinc/18/31/78/556183178.db2.gz CROXJQNWMYYQFM-UHFFFAOYSA-N 0 0 444.940 5.019 50 0 IKAARN COc1cc(OC)c(OC)cc1/C=C/c1ccc2cccc(OCc3ccccc3)c2n1 ZINC000008452981 556183372 /nfs/dbraw/zinc/18/33/72/556183372.db2.gz KDISHTPUCYYOOS-FYWRMAATSA-N 0 0 427.500 6.010 50 0 IKAARN COc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)cc1OC(C)=O ZINC000008453009 556183412 /nfs/dbraw/zinc/18/34/12/556183412.db2.gz DGMFNWGNFOKJKD-SDNWHVSQSA-N 0 0 425.484 5.918 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccc(Br)cc1-2 ZINC000008452904 556183472 /nfs/dbraw/zinc/18/34/72/556183472.db2.gz NKPNGJNKPVQRLM-KRWDZBQOSA-N 0 0 444.358 5.091 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 ZINC000008453154 556183696 /nfs/dbraw/zinc/18/36/96/556183696.db2.gz CQYVPSZLMWSAAD-QFIPXVFZSA-N 0 0 435.553 5.050 50 0 IKAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2ccccc2c1 ZINC000008453333 556184042 /nfs/dbraw/zinc/18/40/42/556184042.db2.gz SIFXYGAKYOWVJM-LBPRGKRZSA-N 0 0 449.142 5.771 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000008453259 556184045 /nfs/dbraw/zinc/18/40/45/556184045.db2.gz VPEICTQDOUWGTK-GGAORHGYSA-N 0 0 436.342 6.549 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000008453258 556184052 /nfs/dbraw/zinc/18/40/52/556184052.db2.gz VPEICTQDOUWGTK-JTHBVZDNSA-N 0 0 436.342 6.549 50 0 IKAARN O=C1C[C@@](/C=C/c2ccccc2)(Nc2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1 ZINC000008453239 556184069 /nfs/dbraw/zinc/18/40/69/556184069.db2.gz UCVYTLPMIOHMQG-UWHSVAFCSA-N 0 0 443.374 5.949 50 0 IKAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000008453352 556184115 /nfs/dbraw/zinc/18/41/15/556184115.db2.gz UZDUOODWACQMEI-GFCCVEGCSA-N 0 0 441.163 5.741 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000008453389 556184385 /nfs/dbraw/zinc/18/43/85/556184385.db2.gz MGABOWJZFGQRPI-UHFFFAOYSA-N 0 0 440.499 5.508 50 0 IKAARN O=C(COc1cccc2ccccc21)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000008453383 556184489 /nfs/dbraw/zinc/18/44/89/556184489.db2.gz PBWXDTYPBPQGTN-UHFFFAOYSA-N 0 0 430.891 5.763 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000008453794 556184675 /nfs/dbraw/zinc/18/46/75/556184675.db2.gz VKPWWTWMAVNDQQ-RZIWAKEYSA-N 0 0 443.628 6.317 50 0 IKAARN Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccccc2)cc1 ZINC000008454186 556185093 /nfs/dbraw/zinc/18/50/93/556185093.db2.gz ZQQZEACQJIADFS-UHFFFAOYSA-N 0 0 428.601 6.940 50 0 IKAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)N1 ZINC000008455211 556185216 /nfs/dbraw/zinc/18/52/16/556185216.db2.gz JIFXVPMSIYRTSB-GOSISDBHSA-N 0 0 447.240 5.045 50 0 IKAARN CC1(C)C[C@@H](NC(=O)c2ccccc2Cl)C[C@@](C)(CNC(=O)c2ccccc2Cl)C1 ZINC000008455676 556185660 /nfs/dbraw/zinc/18/56/60/556185660.db2.gz NBCPDNQJZGBUMD-VOIUYBSRSA-N 0 0 447.406 5.738 50 0 IKAARN C[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)[C@H](C)CN1C(=O)/C=C/c1ccccc1Cl ZINC000008456220 556185814 /nfs/dbraw/zinc/18/58/14/556185814.db2.gz PNFOVWBPCOGLDD-XSBOGERCSA-N 0 0 443.374 5.168 50 0 IKAARN O=C(C[C@H](Nc1cccc(Cl)c1)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000003068008 556187556 /nfs/dbraw/zinc/18/75/56/556187556.db2.gz SVAKUSNJTSCJFH-FQEVSTJZSA-N 0 0 432.720 6.668 50 0 IKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000008590621 556188640 /nfs/dbraw/zinc/18/86/40/556188640.db2.gz NIVSHDOWCUXCCG-UHFFFAOYSA-N 0 0 426.303 5.863 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)c1 ZINC000008592846 556189285 /nfs/dbraw/zinc/18/92/85/556189285.db2.gz SZCMZMOFTWFWHD-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 IKAARN Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000008594224 556189632 /nfs/dbraw/zinc/18/96/32/556189632.db2.gz VYMGSOMBORWCQL-FQEVSTJZSA-N 0 0 445.559 5.769 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000008594117 556189693 /nfs/dbraw/zinc/18/96/93/556189693.db2.gz LHBZTVSZFKJJOO-GOSISDBHSA-N 0 0 447.531 5.021 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000008594855 556189841 /nfs/dbraw/zinc/18/98/41/556189841.db2.gz GJFYCRUQEPPMJY-AREMUKBSSA-N 0 0 446.547 5.429 50 0 IKAARN COc1cc(Cl)c(C)cc1N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000008594352 556189894 /nfs/dbraw/zinc/18/98/94/556189894.db2.gz WITRQPKEOLNDTH-OAQYLSRUSA-N 0 0 440.330 6.562 50 0 IKAARN Cc1cc(C)cc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 ZINC000008594482 556189941 /nfs/dbraw/zinc/18/99/41/556189941.db2.gz QYHTUXNZLHGKRQ-NRFANRHFSA-N 0 0 425.866 6.487 50 0 aggregator IKAARN COc1ccc([C@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000008594985 556190267 /nfs/dbraw/zinc/19/02/67/556190267.db2.gz JUJBETOIWRNHAG-VWLOTQADSA-N 0 0 427.504 5.365 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000008599577 556190451 /nfs/dbraw/zinc/19/04/51/556190451.db2.gz GGIQWTJMDYRQNX-QHCPKHFHSA-N 0 0 449.526 5.191 50 0 IKAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008604627 556191263 /nfs/dbraw/zinc/19/12/63/556191263.db2.gz NNNUCECUGYVXIF-LJQANCHMSA-N 0 0 446.450 5.507 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000008604513 556191339 /nfs/dbraw/zinc/19/13/39/556191339.db2.gz IPAJAJSJVCBQJG-UHFFFAOYSA-N 0 0 438.955 5.939 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Br ZINC000008606320 556191647 /nfs/dbraw/zinc/19/16/47/556191647.db2.gz FGWDYDULAGCHBY-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN FC(F)(F)Oc1ccc(-c2ccc([C@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 ZINC000008622527 556193234 /nfs/dbraw/zinc/19/32/34/556193234.db2.gz WMIKBLVFAABSSO-DEOSSOPVSA-N 0 0 447.416 6.834 50 0 IKAARN FC(F)(F)c1ccc(Oc2ccc(-c3nc(-c4ccc(Cl)s4)cs3)cc2)nc1 ZINC000008628180 556193853 /nfs/dbraw/zinc/19/38/53/556193853.db2.gz VOEUZNAWWMIDHU-UHFFFAOYSA-N 0 0 438.883 7.398 50 0 IKAARN CC(C)(C)c1ccc(-c2cc3ncnc(Nc4ccc(OC(F)(F)F)cc4)c3s2)cc1 ZINC000008628169 556193864 /nfs/dbraw/zinc/19/38/64/556193864.db2.gz RDKCMXPFSUQESA-UHFFFAOYSA-N 0 0 443.494 7.298 50 0 IKAARN CC(C)(C)c1cs/c(=N\c2cccc(C(F)(F)F)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000008629205 556194109 /nfs/dbraw/zinc/19/41/09/556194109.db2.gz DGADIPMRMFNQBS-VEILYXNESA-N 0 0 444.444 7.106 50 0 IKAARN Cc1cc2[nH]c(C(=O)Nc3ccccc3SCc3cccc(Cl)c3F)cc2c(C)c1 ZINC000008636565 556194349 /nfs/dbraw/zinc/19/43/49/556194349.db2.gz WDQJJOYVXTXVCF-UHFFFAOYSA-N 0 0 438.955 7.122 50 0 IKAARN CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000008636703 556194359 /nfs/dbraw/zinc/19/43/59/556194359.db2.gz HJUAELIOHPJFRM-UHFFFAOYSA-N 0 0 433.451 5.821 50 0 IKAARN O=C(c1sc(Nc2ccc3c(c2)OCCO3)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000008636813 556194719 /nfs/dbraw/zinc/19/47/19/556194719.db2.gz YXIXNYKFLHMLSR-UHFFFAOYSA-N 0 0 432.476 5.695 50 0 IKAARN COc1ccc(NC(=S)N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008636951 556194737 /nfs/dbraw/zinc/19/47/37/556194737.db2.gz PYUFJBGQPSOPQQ-VWNXMTODSA-N 0 0 431.536 5.555 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1c(Oc2ccc(Cl)cc2)nccc1C(F)(F)F ZINC000008647726 556195565 /nfs/dbraw/zinc/19/55/65/556195565.db2.gz IPYBHJWUFKCXRO-UHFFFAOYSA-N 0 0 428.744 6.077 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000008648250 556195945 /nfs/dbraw/zinc/19/59/45/556195945.db2.gz CPUMPVIRPNTBDH-AAEUAGOBSA-N 0 0 437.968 5.262 50 0 IKAARN CCCSc1ccc2c3c1cccc3C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O ZINC000008648734 556196239 /nfs/dbraw/zinc/19/62/39/556196239.db2.gz YSYXZUWBFMDDHV-UHFFFAOYSA-N 0 0 435.545 5.198 50 0 IKAARN FC(F)(F)c1cc(Oc2ccccc2C(F)(F)F)c2c(Cl)cc(Cl)cc2n1 ZINC000008648490 556196284 /nfs/dbraw/zinc/19/62/84/556196284.db2.gz WVMLFOWJKRIFFY-UHFFFAOYSA-N 0 0 426.143 7.372 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3[nH]2)cc1)c1cccs1 ZINC000008671257 556198286 /nfs/dbraw/zinc/19/82/86/556198286.db2.gz ALZVAGBHXQHAIA-UHFFFAOYSA-N 0 0 444.541 5.858 50 0 aggregator,in-vivo IKAARN COc1ccc(NC(=O)Nc2nnc(-c3ccccc3SCc3ccccc3)s2)cc1 ZINC000008680856 556199283 /nfs/dbraw/zinc/19/92/83/556199283.db2.gz IFQDGFMAAVFKRJ-UHFFFAOYSA-N 0 0 448.573 6.150 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000008682650 556199285 /nfs/dbraw/zinc/19/92/85/556199285.db2.gz PNTVSUDFVUTGCM-UHFFFAOYSA-N 0 0 448.994 5.235 50 0 IKAARN CCOc1cc(CNc2ccc(CNc3nc[nH]n3)cc2)ccc1OCc1ccccc1 ZINC000008683500 556199550 /nfs/dbraw/zinc/19/95/50/556199550.db2.gz LGUOGKPIPWKSHA-UHFFFAOYSA-N 0 0 429.524 5.007 50 0 IKAARN CC1(C)C[C@@H]([C@@H](CCN(Cc2ccccc2)C(=O)c2ccco2)c2ccc(F)cc2)CCO1 ZINC000008687482 556200199 /nfs/dbraw/zinc/20/01/99/556200199.db2.gz ZPUAFDXIOKZSHO-ZCYQVOJMSA-N 0 0 449.566 6.440 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccs2)c(OC)c1 ZINC000008706493 556201101 /nfs/dbraw/zinc/20/11/01/556201101.db2.gz UFIMGEFGWXDQDG-QFIPXVFZSA-N 0 0 446.532 5.043 50 0 IKAARN C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)c1ccccc1 ZINC000008711932 556201462 /nfs/dbraw/zinc/20/14/62/556201462.db2.gz BJGAFGXADZUOAB-IAOVAPTHSA-N 0 0 448.876 5.688 50 0 IKAARN COc1ccc(-n2c(-c3sc(Nc4ccccc4)nc3C)nc3ccccc3c2=O)cc1 ZINC000008715540 556202123 /nfs/dbraw/zinc/20/21/23/556202123.db2.gz VJFQCOHVJBZBLF-UHFFFAOYSA-N 0 0 440.528 5.570 50 0 IKAARN O=C(NCCCCCCCCCNC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000008720926 556202660 /nfs/dbraw/zinc/20/26/60/556202660.db2.gz BJGIKPDJNVOQAI-UHFFFAOYSA-N 0 0 447.453 6.007 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000008721756 556203006 /nfs/dbraw/zinc/20/30/06/556203006.db2.gz CJNWXKOMSYMKHJ-UHFFFAOYSA-N 0 0 439.295 5.186 50 0 IKAARN Clc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000008723347 556203648 /nfs/dbraw/zinc/20/36/48/556203648.db2.gz YELPVVCUYUGISM-NRFANRHFSA-N 0 0 432.936 5.987 50 0 IKAARN CCCCSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000008733723 556204359 /nfs/dbraw/zinc/20/43/59/556204359.db2.gz PTIDZUFUUAZQEU-UHFFFAOYSA-N 0 0 439.631 6.752 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)NC45CC6CC(CC(C6)C4)C5)sc3n2)c1 ZINC000008733724 556204382 /nfs/dbraw/zinc/20/43/82/556204382.db2.gz ATQNIWFXBFFZTK-UHFFFAOYSA-N 0 0 433.577 5.253 50 0 IKAARN CC(=O)Oc1c(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3Cl)C2)ccc2ccccc21 ZINC000008738955 556205493 /nfs/dbraw/zinc/20/54/93/556205493.db2.gz DVRUSMBFCTZEKY-JOCHJYFZSA-N 0 0 441.314 5.770 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 ZINC000008738584 556205521 /nfs/dbraw/zinc/20/55/21/556205521.db2.gz KBVAPXSPUAFYMM-OAQYLSRUSA-N 0 0 447.022 7.509 50 0 IKAARN CSc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1 ZINC000008741070 556207029 /nfs/dbraw/zinc/20/70/29/556207029.db2.gz LILZYXNMOLYAGR-UHFFFAOYSA-N 0 0 446.575 7.364 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)o1 ZINC000008743373 556208136 /nfs/dbraw/zinc/20/81/36/556208136.db2.gz ZRCOSKIKYZGMFU-WIYYLYMNSA-N 0 0 433.722 6.791 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000008746535 556209711 /nfs/dbraw/zinc/20/97/11/556209711.db2.gz VBEOLRDGEXSDFD-UHFFFAOYSA-N 0 0 427.548 6.412 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc2ccccc21 ZINC000008756280 556210999 /nfs/dbraw/zinc/21/09/99/556210999.db2.gz RBDNPNMZGJRAKR-QFIPXVFZSA-N 0 0 447.538 5.789 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1cccc2ccccc21 ZINC000008756273 556211021 /nfs/dbraw/zinc/21/10/21/556211021.db2.gz ILSIMNOPXWJUON-OAQYLSRUSA-N 0 0 435.502 5.897 50 0 IKAARN COc1ccc(C=C2N=C(SCC(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000008765909 556212343 /nfs/dbraw/zinc/21/23/43/556212343.db2.gz BRWOGHAYGFGHPM-CJLVFECKSA-N 0 0 428.513 5.055 50 0 IKAARN Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)C(C)C)[C@@H](c4ccco4)C3)c(-c3ccccc3)c2c1 ZINC000008774954 556213970 /nfs/dbraw/zinc/21/39/70/556213970.db2.gz UAIUFMWMZAABOR-JOCHJYFZSA-N 0 0 439.515 5.430 50 0 IKAARN CC(C)(C)c1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(C(C)(C)C)c1O ZINC000097464697 556214226 /nfs/dbraw/zinc/21/42/26/556214226.db2.gz CVOSHAAHDIKXCY-DEDYPNTBSA-N 0 0 441.568 6.363 50 0 IKAARN CCOCN(C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1c(C)cccc1CC ZINC000008779004 556214289 /nfs/dbraw/zinc/21/42/89/556214289.db2.gz DAQLOCBHFVDBBR-UHFFFAOYSA-N 0 0 441.575 5.525 50 0 IKAARN CN(CCCN1c2ccccc2CCc2ccccc21)c1nc(-c2ccc(F)cc2)cs1 ZINC000008815918 556217142 /nfs/dbraw/zinc/21/71/42/556217142.db2.gz WXVNNVNFUXARIT-UHFFFAOYSA-N 0 0 443.591 6.712 50 0 IKAARN COc1cc2c(cc1NC(=O)COc1ccc(C)cc1Br)oc1ccccc12 ZINC000008816289 556217395 /nfs/dbraw/zinc/21/73/95/556217395.db2.gz MDIHIXPXADZLKO-UHFFFAOYSA-N 0 0 440.293 5.683 50 0 IKAARN O=C(N/C(=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1F ZINC000008817312 556218025 /nfs/dbraw/zinc/21/80/25/556218025.db2.gz SJQSXWYHCZDWHN-DEDYPNTBSA-N 0 0 436.284 5.393 50 0 IKAARN CCOc1ccc([C@@H]2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1OC ZINC000008829803 556225224 /nfs/dbraw/zinc/22/52/24/556225224.db2.gz HXURILCBOQNDPH-JHXAUMMHSA-N 0 0 439.581 5.031 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000008856843 556227779 /nfs/dbraw/zinc/22/77/79/556227779.db2.gz XQBPOHVYRCPCHP-UHFFFAOYSA-N 0 0 426.903 6.571 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)c(C)c2c1 ZINC000008868243 556228772 /nfs/dbraw/zinc/22/87/72/556228772.db2.gz GGZNZXAVZIZXFW-UHFFFAOYSA-N 0 0 427.526 5.839 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1ccc(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000008873845 556230289 /nfs/dbraw/zinc/23/02/89/556230289.db2.gz BSYJJAFCADZFOP-XHQRYOPUSA-N 0 0 444.534 6.657 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008892114 556230591 /nfs/dbraw/zinc/23/05/91/556230591.db2.gz ORFVLECGFUMBRR-UHFFFAOYSA-N 0 0 443.616 5.736 50 0 IKAARN S=c1n(C2c3ccccc3Oc3ccccc32)nc(-c2ccccc2)n1-c1ccccc1 ZINC000008885076 556230705 /nfs/dbraw/zinc/23/07/05/556230705.db2.gz GTPLCYIWPKKPMK-UHFFFAOYSA-N 0 0 433.536 6.814 50 0 IKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000008904578 556231298 /nfs/dbraw/zinc/23/12/98/556231298.db2.gz OVXALUUMNUHDOB-UHFFFAOYSA-N 0 0 441.270 5.825 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000008904565 556231343 /nfs/dbraw/zinc/23/13/43/556231343.db2.gz WKJWTSXOEVHVKE-UHFFFAOYSA-N 0 0 437.883 5.186 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000008904595 556231570 /nfs/dbraw/zinc/23/15/70/556231570.db2.gz HQIJTTTWTJOHBG-UHFFFAOYSA-N 0 0 442.559 6.313 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000008920590 556233320 /nfs/dbraw/zinc/23/33/20/556233320.db2.gz BSPUCTSWIDAAMG-UHFFFAOYSA-N 0 0 434.927 5.389 50 0 IKAARN CC1(C)Cc2c3c(N)c(C(=O)c4ccc(Cl)cc4)oc3nc(-c3ccccc3)c2CO1 ZINC000008926240 556234526 /nfs/dbraw/zinc/23/45/26/556234526.db2.gz ACAWZOKJJBTCIP-UHFFFAOYSA-N 0 0 432.907 5.813 50 0 IKAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000008951846 556235806 /nfs/dbraw/zinc/23/58/06/556235806.db2.gz YWNGHXVNEWBXJW-SRZZPIQSSA-N 0 0 442.273 6.056 50 0 IKAARN Cc1cccc(-n2c(=O)c3ccccc3nc2/C=C/c2cc(Br)ccc2O)c1 ZINC000008951228 556235818 /nfs/dbraw/zinc/23/58/18/556235818.db2.gz PDZSQPASIWESGG-FMIVXFBMSA-N 0 0 433.305 5.333 50 0 IKAARN O=C(Nc1ccccc1I)c1ccc(CSc2ccccc2)o1 ZINC000008951759 556235845 /nfs/dbraw/zinc/23/58/45/556235845.db2.gz DSOYVOZPUIGDPP-UHFFFAOYSA-N 0 0 435.286 5.429 50 0 IKAARN CCOc1c(Br)cc(CN[C@H](C)c2ccccc2Br)cc1OC ZINC000022777553 556237153 /nfs/dbraw/zinc/23/71/53/556237153.db2.gz QWHCTNOFCVIMMU-GFCCVEGCSA-N 0 0 443.179 5.470 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1OC ZINC000009008388 556240296 /nfs/dbraw/zinc/24/02/96/556240296.db2.gz LVZMIAHNYYARKX-VXNXHJTFSA-N 0 0 441.354 6.236 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009027475 556241664 /nfs/dbraw/zinc/24/16/64/556241664.db2.gz DCYZXNVURMEXNE-UHFFFAOYSA-N 0 0 443.016 5.955 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000009042011 556241953 /nfs/dbraw/zinc/24/19/53/556241953.db2.gz RPSKPZUATCCQOV-PXDATVDWSA-N 0 0 434.923 5.908 50 0 IKAARN Cc1cc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)ccc1Cl ZINC000009042297 556242379 /nfs/dbraw/zinc/24/23/79/556242379.db2.gz XTPPKCZIFWXCEY-UHFFFAOYSA-N 0 0 443.743 6.030 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000009057090 556243112 /nfs/dbraw/zinc/24/31/12/556243112.db2.gz CZJBUCIKDNAVHI-UHFFFAOYSA-N 0 0 443.355 6.674 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000009066247 556244789 /nfs/dbraw/zinc/24/47/89/556244789.db2.gz GSWNPNRRJILESS-GOSISDBHSA-N 0 0 434.348 5.732 50 0 IKAARN O=C(COc1cccc2ccccc21)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000009066116 556244835 /nfs/dbraw/zinc/24/48/35/556244835.db2.gz CEGVRLSNLREEIT-UHFFFAOYSA-N 0 0 428.469 5.087 50 0 IKAARN S=C(NCc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000009076056 556245080 /nfs/dbraw/zinc/24/50/80/556245080.db2.gz XBYNTHBVWIVYDR-IBGZPJMESA-N 0 0 440.366 5.268 50 0 IKAARN COc1ccc(C2N=NC(=S)N2c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000009089681 556245808 /nfs/dbraw/zinc/24/58/08/556245808.db2.gz NSBYIXSRVVUVIU-UHFFFAOYSA-N 0 0 430.558 5.817 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1C1CCCCC1 ZINC000009095725 556246741 /nfs/dbraw/zinc/24/67/41/556246741.db2.gz OYXNYSGHHINBRL-UHFFFAOYSA-N 0 0 425.529 5.573 50 0 IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccs3)c2)cc1OC ZINC000009129261 556248425 /nfs/dbraw/zinc/24/84/25/556248425.db2.gz DFGFZRQIIOVTAT-UHFFFAOYSA-N 0 0 436.485 5.375 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000009145746 556249266 /nfs/dbraw/zinc/24/92/66/556249266.db2.gz YIYRQCUYSZKBIQ-AWEZNQCLSA-N 0 0 439.751 6.026 50 0 IKAARN COc1ccccc1Cc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 ZINC000009196765 556254692 /nfs/dbraw/zinc/25/46/92/556254692.db2.gz PVCLWDLGUMKUAJ-UHFFFAOYSA-N 0 0 429.501 5.014 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccc(C)cc32)cc1 ZINC000009201615 556257635 /nfs/dbraw/zinc/25/76/35/556257635.db2.gz KCQHOHSDFXMLPL-UHFFFAOYSA-N 0 0 441.483 5.267 50 0 IKAARN Cc1ccccc1Oc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000009203014 556257754 /nfs/dbraw/zinc/25/77/54/556257754.db2.gz QWNKXHMLMPHENI-QHCPKHFHSA-N 0 0 442.515 5.437 50 0 IKAARN COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(C)c2)cc1 ZINC000009210728 556257969 /nfs/dbraw/zinc/25/79/69/556257969.db2.gz PPKJMZAGIQKMOG-UHFFFAOYSA-N 0 0 427.533 5.420 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000009215711 556257993 /nfs/dbraw/zinc/25/79/93/556257993.db2.gz ZQXZIHPZHHMPHC-NRFANRHFSA-N 0 0 441.524 5.014 50 0 IKAARN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000009213625 556258053 /nfs/dbraw/zinc/25/80/53/556258053.db2.gz GVJHHUAWPYXKBD-BXOOBUKZSA-N 0 0 430.717 8.840 50 0 in-man IKAARN COc1cccc(CNC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)c1 ZINC000009224516 556258287 /nfs/dbraw/zinc/25/82/87/556258287.db2.gz RLEQBDZEHUCBKJ-AREMUKBSSA-N 0 0 425.532 5.342 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)NCCc2ccccc2)cc1 ZINC000009224530 556258315 /nfs/dbraw/zinc/25/83/15/556258315.db2.gz BRPODVSBUTZZGA-AREMUKBSSA-N 0 0 425.532 5.076 50 0 IKAARN Cc1ccc(CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009224560 556258404 /nfs/dbraw/zinc/25/84/04/556258404.db2.gz RKCBRLDGZNXFPF-SANMLTNESA-N 0 0 443.978 6.295 50 0 IKAARN CC(C)CNC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000009225066 556258936 /nfs/dbraw/zinc/25/89/36/556258936.db2.gz WMENVCZSTWWDGU-UHFFFAOYSA-N 0 0 425.381 5.251 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cc(C)ccc3cc(CNc3ccccc3)c2=O)c(Cl)c1 ZINC000009225134 556258938 /nfs/dbraw/zinc/25/89/38/556258938.db2.gz NZSWTAUHGGVDQV-UHFFFAOYSA-N 0 0 445.950 5.523 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000009225069 556258973 /nfs/dbraw/zinc/25/89/73/556258973.db2.gz PYPIZMOIYQLGNN-UHFFFAOYSA-N 0 0 430.247 5.321 50 0 IKAARN CCOC(=O)C1=C(C)N=C(NC(=O)c2ccc(C)cc2)S[C@@H]1c1ccc(Cl)cc1 ZINC000009225556 556259232 /nfs/dbraw/zinc/25/92/32/556259232.db2.gz ASDXWRZLZNYEIY-LJQANCHMSA-N 0 0 428.941 5.059 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000009225642 556259532 /nfs/dbraw/zinc/25/95/32/556259532.db2.gz UJAFMKJXGINRCY-VWLOTQADSA-N 0 0 448.975 5.382 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 ZINC000009226647 556260469 /nfs/dbraw/zinc/26/04/69/556260469.db2.gz MGAFFLFGHINHSN-OQGGWEOTSA-N 0 0 428.642 5.543 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 ZINC000009226565 556260483 /nfs/dbraw/zinc/26/04/83/556260483.db2.gz QMQJOOZKTJSNHS-UHFFFAOYSA-N 0 0 448.954 5.986 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000009231894 556261061 /nfs/dbraw/zinc/26/10/61/556261061.db2.gz HFKGOJRFXHNEIA-OAHLLOKOSA-N 0 0 441.314 5.777 50 0 IKAARN O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000009232657 556261720 /nfs/dbraw/zinc/26/17/20/556261720.db2.gz KNQLJLAVLCYJFC-VIZOYTHASA-N 0 0 444.684 5.617 50 0 IKAARN Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(Cl)c2)cc1 ZINC000009243062 556266662 /nfs/dbraw/zinc/26/66/62/556266662.db2.gz BEKBGORGIGIJBE-UHFFFAOYSA-N 0 0 431.952 6.065 50 0 IKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000009243139 556266732 /nfs/dbraw/zinc/26/67/32/556266732.db2.gz YHTKLMXDKSCDNA-QFIPXVFZSA-N 0 0 438.289 6.272 50 0 IKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)cc1C ZINC000009243389 556267039 /nfs/dbraw/zinc/26/70/39/556267039.db2.gz DOTYCLSFTPYXFA-XMMPIXPASA-N 0 0 444.922 5.193 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1 ZINC000009262832 556269803 /nfs/dbraw/zinc/26/98/03/556269803.db2.gz JQHHAFCWOMCUAC-UHFFFAOYSA-N 0 0 445.386 5.094 50 0 IKAARN COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000009288248 556272720 /nfs/dbraw/zinc/27/27/20/556272720.db2.gz DFOJDZAHRWXKCR-QHCPKHFHSA-N 0 0 428.467 5.112 50 0 IKAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl ZINC000009288300 556272882 /nfs/dbraw/zinc/27/28/82/556272882.db2.gz VGTWAKNGFSAGPT-QHCPKHFHSA-N 0 0 428.923 5.926 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2Cl)cc1 ZINC000009288564 556273174 /nfs/dbraw/zinc/27/31/74/556273174.db2.gz VZZAKFIKPGWBLP-HSZRJFAPSA-N 0 0 444.922 5.626 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1sc2ccccc2c1Cl ZINC000009290278 556273961 /nfs/dbraw/zinc/27/39/61/556273961.db2.gz MSZFNGHTNHSQPS-UHFFFAOYSA-N 0 0 438.339 7.004 50 0 IKAARN Cc1ccc(COc2ccccc2C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000009295860 556274821 /nfs/dbraw/zinc/27/48/21/556274821.db2.gz PIIGJASLNGHJKX-IWIPYMOSSA-N 0 0 443.524 5.493 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000009307103 556276801 /nfs/dbraw/zinc/27/68/01/556276801.db2.gz JRIXLFCGCXQCAC-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009307265 556277148 /nfs/dbraw/zinc/27/71/48/556277148.db2.gz OPBOYESSNMTKBX-UHFFFAOYSA-N 0 0 443.016 5.955 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2cccc(Cl)c2)[C@@H](c2ccc3nccnc3c2)C1 ZINC000013687286 556277116 /nfs/dbraw/zinc/27/71/16/556277116.db2.gz YDOXYWKDENPJCZ-HSZRJFAPSA-N 0 0 442.906 5.283 50 0 IKAARN Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)c1 ZINC000009307312 556277177 /nfs/dbraw/zinc/27/71/77/556277177.db2.gz BLAFGSIEANTDLR-UHFFFAOYSA-N 0 0 431.952 6.065 50 0 IKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000009307614 556277532 /nfs/dbraw/zinc/27/75/32/556277532.db2.gz KGVKVEOOIANJAS-UHFFFAOYSA-N 0 0 428.772 6.130 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 ZINC000009307825 556277590 /nfs/dbraw/zinc/27/75/90/556277590.db2.gz ZTIIXGBEQVKKOZ-UHFFFAOYSA-N 0 0 443.576 5.040 50 0 IKAARN Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)cc1 ZINC000009308525 556277848 /nfs/dbraw/zinc/27/78/48/556277848.db2.gz GLMWGHAOSJZCDT-UHFFFAOYSA-N 0 0 431.952 6.065 50 0 IKAARN COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(C)cc2)cc1 ZINC000009308520 556277876 /nfs/dbraw/zinc/27/78/76/556277876.db2.gz GDYOYIZLBVOLJH-UHFFFAOYSA-N 0 0 427.533 5.420 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000009309046 556278169 /nfs/dbraw/zinc/27/81/69/556278169.db2.gz CJBFOECSZPCYKM-UHFFFAOYSA-N 0 0 442.588 5.844 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccccc2)cc1 ZINC000009308940 556278176 /nfs/dbraw/zinc/27/81/76/556278176.db2.gz GFPPTBHXMVNKSZ-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1cccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 ZINC000009309131 556278194 /nfs/dbraw/zinc/27/81/94/556278194.db2.gz BWPKPCSQTNGLHZ-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000009309175 556278216 /nfs/dbraw/zinc/27/82/16/556278216.db2.gz NMDCTWSLRQJCNG-UHFFFAOYSA-N 0 0 431.580 6.972 50 0 IKAARN Cc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 ZINC000009308928 556278236 /nfs/dbraw/zinc/27/82/36/556278236.db2.gz NROPSJSEKDEBEX-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN COc1ccc(/C=C/c2nc3ccc(Br)cc3c(=O)n2-c2ccccc2C)cc1 ZINC000013688777 556278397 /nfs/dbraw/zinc/27/83/97/556278397.db2.gz LLCLDUYYTNCSRU-NTEUORMPSA-N 0 0 447.332 5.636 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1 ZINC000009309371 556278532 /nfs/dbraw/zinc/27/85/32/556278532.db2.gz KESFURMKPUJOTO-UHFFFAOYSA-N 0 0 443.616 6.841 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1C ZINC000009309372 556278539 /nfs/dbraw/zinc/27/85/39/556278539.db2.gz GQLQAXAHEBUQKX-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2cccc(C)c2)cc1 ZINC000009309318 556278545 /nfs/dbraw/zinc/27/85/45/556278545.db2.gz IENHEIUFSXULSM-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccc(C)c2)cc1 ZINC000009309504 556278564 /nfs/dbraw/zinc/27/85/64/556278564.db2.gz WILXUPTZQNYVGK-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000009311521 556279597 /nfs/dbraw/zinc/27/95/97/556279597.db2.gz LKOXXXNPZCEGCB-PXLXIMEGSA-N 0 0 444.512 5.462 50 0 IKAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4c(C)cc(C)cc4C)c(C)c13)CCC(C)(C)O2 ZINC000013690321 556279740 /nfs/dbraw/zinc/27/97/40/556279740.db2.gz VMHXSOJNKUBRNO-UHFFFAOYSA-N 0 0 449.547 5.320 50 0 IKAARN COc1ccc(-c2nc3c(s2)CN(C(=S)Nc2ccccc2Cl)CC3)cc1OC ZINC000013690764 556280089 /nfs/dbraw/zinc/28/00/89/556280089.db2.gz OBIFLMYLLDYZHV-UHFFFAOYSA-N 0 0 445.997 5.236 50 0 IKAARN O=C(COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000009322213 556281075 /nfs/dbraw/zinc/28/10/75/556281075.db2.gz VKNKJTQFXWQSMX-KGENOOAVSA-N 0 0 448.475 5.084 50 0 IKAARN Cc1oc2c(cc3c(C)c(CC(=O)Nc4nccs4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000013691831 556281409 /nfs/dbraw/zinc/28/14/09/556281409.db2.gz OJJVMROQSQQNDO-UHFFFAOYSA-N 0 0 444.512 5.769 50 0 IKAARN Cc1oc2cc(OCC(=O)N[C@H](C)CCc3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000013692133 556281806 /nfs/dbraw/zinc/28/18/06/556281806.db2.gz GANODPIHFPHWAB-LJQANCHMSA-N 0 0 441.527 5.285 50 0 biogenic IKAARN CC[C@]1(C)C[C@](CCNC(=O)c2ccc(OC(C)(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000009327350 556282044 /nfs/dbraw/zinc/28/20/44/556282044.db2.gz RIBIQRJPMSFPRS-KAYWLYCHSA-N 0 0 441.587 6.040 50 0 IKAARN CC1(C)C[C@@H]([C@H](CCN(Cc2ccccc2)C(=O)c2ccco2)c2ccc(F)cc2)CCO1 ZINC000009334964 556283041 /nfs/dbraw/zinc/28/30/41/556283041.db2.gz ZPUAFDXIOKZSHO-UKILVPOCSA-N 0 0 449.566 6.440 50 0 IKAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009344853 556283741 /nfs/dbraw/zinc/28/37/41/556283741.db2.gz DGWRVNFVNJLNNV-QFIPXVFZSA-N 0 0 431.875 5.200 50 0 IKAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)c1 ZINC000009347911 556283788 /nfs/dbraw/zinc/28/37/88/556283788.db2.gz AXWJTHKFVKQWSN-UHFFFAOYSA-N 0 0 449.503 5.344 50 0 IKAARN c1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2cccnc2)nc1 ZINC000009348611 556283969 /nfs/dbraw/zinc/28/39/69/556283969.db2.gz YXPLWVKLQOSNLM-NRFANRHFSA-N 0 0 428.455 5.020 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Nc1ccc(Oc2ccccc2)cc1 ZINC000009350603 556284415 /nfs/dbraw/zinc/28/44/15/556284415.db2.gz CRQSHEJQHWDAPJ-UHFFFAOYSA-N 0 0 438.914 7.384 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000009355151 556284819 /nfs/dbraw/zinc/28/48/19/556284819.db2.gz HWPRBPHCIPVADC-NTEUORMPSA-N 0 0 432.976 7.392 50 0 IKAARN CCCCCC(=O)OCCSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000009356734 556285007 /nfs/dbraw/zinc/28/50/07/556285007.db2.gz XNGVIUQMKUCANY-UHFFFAOYSA-N 0 0 429.969 6.064 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000013712947 556285273 /nfs/dbraw/zinc/28/52/73/556285273.db2.gz NDKVNSJUHRMKDC-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000009371665 556286511 /nfs/dbraw/zinc/28/65/11/556286511.db2.gz CDWCIJCYXBABAZ-WZONZLPQSA-N 0 0 433.479 5.002 50 0 IKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1SCc1ccc(F)cc1 ZINC000009380731 556287207 /nfs/dbraw/zinc/28/72/07/556287207.db2.gz HFIFZUMUYSQDEK-UHFFFAOYSA-N 0 0 428.532 6.356 50 0 IKAARN COc1cccc2c1O[C@@H](c1ccc(Cl)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000009397209 556287538 /nfs/dbraw/zinc/28/75/38/556287538.db2.gz WUFXKPYTZMTPCB-OFNKIYASSA-N 0 0 425.315 6.244 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000009396770 556287547 /nfs/dbraw/zinc/28/75/47/556287547.db2.gz KFNWPMIZPWJZBS-UHFFFAOYSA-N 0 0 427.888 5.354 50 0 IKAARN CCc1cccc(C)c1N(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)[C@@H](C)COC ZINC000009408862 556287814 /nfs/dbraw/zinc/28/78/14/556287814.db2.gz GNBPPQHYTGZHBO-HNNXBMFYSA-N 0 0 431.989 5.247 50 0 IKAARN CC[C@H](Sc1nc2ccccc2s1)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1 ZINC000009408696 556287878 /nfs/dbraw/zinc/28/78/78/556287878.db2.gz ZVVPPZOYWVANRM-KRWDZBQOSA-N 0 0 440.619 5.099 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000009414742 556288769 /nfs/dbraw/zinc/28/87/69/556288769.db2.gz DKNOPEQTAZXGAK-UHFFFAOYSA-N 0 0 425.513 5.883 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3c(F)cccc3Cl)C2)cc1OC ZINC000009419100 556289163 /nfs/dbraw/zinc/28/91/63/556289163.db2.gz OQYHKFAWONMHKP-QGZVFWFLSA-N 0 0 428.847 5.081 50 0 IKAARN Brc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000009424518 556289529 /nfs/dbraw/zinc/28/95/29/556289529.db2.gz GPIBKKJDYDUHBU-UHFFFAOYSA-N 0 0 427.327 5.036 50 0 IKAARN COc1ccc(Nc2ccc(NC(=S)Nc3ccc(Nc4ccccc4)cc3)cc2)cc1 ZINC000009427069 556290577 /nfs/dbraw/zinc/29/05/77/556290577.db2.gz ZUQNPCUJJJCMJX-UHFFFAOYSA-N 0 0 440.572 6.991 50 0 IKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(Br)cn1 ZINC000009427033 556290677 /nfs/dbraw/zinc/29/06/77/556290677.db2.gz YIKZQLUKFQMSHY-UHFFFAOYSA-N 0 0 436.103 5.021 50 0 IKAARN S=C(Nc1ccccc1Cl)N(CCN1CCOCC1)Cc1cccc2ccccc21 ZINC000013721613 556290674 /nfs/dbraw/zinc/29/06/74/556290674.db2.gz QMCWRODOEGMDFN-UHFFFAOYSA-N 0 0 440.012 5.024 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000009428549 556290859 /nfs/dbraw/zinc/29/08/59/556290859.db2.gz IDRFIYHBCPGZLG-YLJYHZDGSA-N 0 0 429.701 5.938 50 0 IKAARN CCOc1ccc(-c2c/c(=N\c3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1 ZINC000013722591 556290974 /nfs/dbraw/zinc/29/09/74/556290974.db2.gz YOTFIJGKHWCTJH-LHLOQNFPSA-N 0 0 444.581 7.224 50 0 IKAARN CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000009435341 556291518 /nfs/dbraw/zinc/29/15/18/556291518.db2.gz HYOJTPLWOVFZPH-NHCUHLMSSA-N 0 0 442.485 5.378 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000009435963 556291850 /nfs/dbraw/zinc/29/18/50/556291850.db2.gz PNKZDRRWOMOFFK-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN O=C(Nc1ccc(OS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1cccs1 ZINC000032549146 556293498 /nfs/dbraw/zinc/29/34/98/556293498.db2.gz ZBZNLTRAHPGHPU-UHFFFAOYSA-N 0 0 434.347 5.136 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009497277 556295052 /nfs/dbraw/zinc/29/50/52/556295052.db2.gz KLWWODOTZUOWPN-UHFFFAOYSA-N 0 0 436.625 6.117 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1ccc(F)cc1 ZINC000009497602 556295102 /nfs/dbraw/zinc/29/51/02/556295102.db2.gz IPLPQHOIKADZDD-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1Cc1ccco1 ZINC000009498594 556295108 /nfs/dbraw/zinc/29/51/08/556295108.db2.gz IODLFKWNXJAHSG-UHFFFAOYSA-N 0 0 434.323 6.325 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 ZINC000009498292 556295190 /nfs/dbraw/zinc/29/51/90/556295190.db2.gz CMMDVIPTQAACRL-UHFFFAOYSA-N 0 0 436.512 5.073 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(Cl)c1 ZINC000009498701 556295411 /nfs/dbraw/zinc/29/54/11/556295411.db2.gz TVAYVVIEKDURSM-UHFFFAOYSA-N 0 0 435.380 5.619 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(F)c2)N1c1nc2ccccc2s1 ZINC000009510566 556295907 /nfs/dbraw/zinc/29/59/07/556295907.db2.gz ZGBMKTLCPDWCLX-FQEVSTJZSA-N 0 0 428.444 5.292 50 0 IKAARN Cc1c(C)n(CC(C)C)c(NC(=O)c2ccccc2F)c1S(=O)(=O)c1ccc(C)cc1 ZINC000013731695 556296035 /nfs/dbraw/zinc/29/60/35/556296035.db2.gz SKNITYXYMLPLJA-UHFFFAOYSA-N 0 0 442.556 5.294 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1Cl ZINC000009525796 556296103 /nfs/dbraw/zinc/29/61/03/556296103.db2.gz LXMRDUQWXXIUCA-UHFFFAOYSA-N 0 0 430.891 5.659 50 0 IKAARN Cn1c(SCc2nc(C(c3ccccc3)c3ccccc3)no2)nnc1-c1cccs1 ZINC000009546433 556297379 /nfs/dbraw/zinc/29/73/79/556297379.db2.gz AUFRDHJSTOZZSC-UHFFFAOYSA-N 0 0 445.573 5.399 50 0 IKAARN COc1ccc(Cc2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn23)cc1OC ZINC000009530503 556297405 /nfs/dbraw/zinc/29/74/05/556297405.db2.gz RVWYBILAZVTOCH-UHFFFAOYSA-N 0 0 442.544 5.052 50 0 IKAARN O=C1c2ccccc2C(=O)N1c1ccc(Nc2ccccc2F)c(Nc2ccccc2F)c1 ZINC000009543526 556297412 /nfs/dbraw/zinc/29/74/12/556297412.db2.gz RHLGXDRSLJSFSY-UHFFFAOYSA-N 0 0 441.437 6.253 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccc(C)cc1 ZINC000009546561 556297632 /nfs/dbraw/zinc/29/76/32/556297632.db2.gz NFDWOQZUIDMPIK-OAQYLSRUSA-N 0 0 439.515 5.447 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009546534 556297652 /nfs/dbraw/zinc/29/76/52/556297652.db2.gz IVWRBEYZLGSBLA-DEOSSOPVSA-N 0 0 425.488 5.681 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 ZINC000009546564 556297717 /nfs/dbraw/zinc/29/77/17/556297717.db2.gz GCBHCJZSLRZFKP-FQEVSTJZSA-N 0 0 443.478 5.278 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1c[nH]nc1-c1ccccc1)Nc1ccccc1-2 ZINC000009557280 556298029 /nfs/dbraw/zinc/29/80/29/556298029.db2.gz UJJSJJBYNKZDDP-OAQYLSRUSA-N 0 0 430.537 5.324 50 0 IKAARN C[C@@H]1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@@H](C)C1 ZINC000009556694 556298046 /nfs/dbraw/zinc/29/80/46/556298046.db2.gz ZYRVCLZZVJSJRM-KGLIPLIRSA-N 0 0 435.515 5.000 50 0 IKAARN COc1ccc(-c2c(-c3ccccc3)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1 ZINC000013739174 556298098 /nfs/dbraw/zinc/29/80/98/556298098.db2.gz JMMGLOSZQWDRFO-ZIADKAODSA-N 0 0 434.564 7.114 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1CCC1CCCCC1)C(=O)C[C@H](c1ccc(OCC)cc1)C2 ZINC000009559837 556298516 /nfs/dbraw/zinc/29/85/16/556298516.db2.gz RTRCIQYFDMVLOP-HXUWFJFHSA-N 0 0 437.580 6.016 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)c(C)c1 ZINC000013749846 556298770 /nfs/dbraw/zinc/29/87/70/556298770.db2.gz WKAHDGAKYWNPNN-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1cc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc(OC)c1 ZINC000009561414 556299483 /nfs/dbraw/zinc/29/94/83/556299483.db2.gz YQGVRCJTPNFINV-OAQYLSRUSA-N 0 0 439.874 5.748 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000013752240 556299772 /nfs/dbraw/zinc/29/97/72/556299772.db2.gz BHOCTWYDPRAXIO-KSSFIOAISA-N 0 0 448.589 5.029 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1C ZINC000009561420 556299787 /nfs/dbraw/zinc/29/97/87/556299787.db2.gz YMWZNTIPFSXZJY-OAQYLSRUSA-N 0 0 425.866 6.487 50 0 IKAARN CCc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000009561439 556299867 /nfs/dbraw/zinc/29/98/67/556299867.db2.gz OISRNBLBRHTQBN-NRFANRHFSA-N 0 0 425.866 6.432 50 0 IKAARN Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1C ZINC000009561419 556299877 /nfs/dbraw/zinc/29/98/77/556299877.db2.gz YMWZNTIPFSXZJY-NRFANRHFSA-N 0 0 425.866 6.487 50 0 IKAARN Fc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(F)cc6)oc5c4)cc3o2)cc1 ZINC000009581559 556300685 /nfs/dbraw/zinc/30/06/85/556300685.db2.gz MNXDRMRFHPQJAM-UHFFFAOYSA-N 0 0 438.433 7.172 50 0 IKAARN O=C(CCC(=O)OCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000009581451 556300824 /nfs/dbraw/zinc/30/08/24/556300824.db2.gz HAHWPESTGVUXHI-UHFFFAOYSA-N 0 0 442.298 6.355 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 ZINC000013757125 556300811 /nfs/dbraw/zinc/30/08/11/556300811.db2.gz IUDNURCLXVLCKU-RFBIWTDZSA-N 0 0 444.625 7.435 50 0 IKAARN Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1C=C1SC(=S)NC1=O ZINC000013756791 556300832 /nfs/dbraw/zinc/30/08/32/556300832.db2.gz FPYPMIFTPVAAGV-DWFNGTSHSA-N 0 0 441.577 6.803 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589365 556301065 /nfs/dbraw/zinc/30/10/65/556301065.db2.gz NWYCQWVCRPBIQY-UHFFFAOYSA-N 0 0 445.478 5.945 50 0 IKAARN CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(C)c3C)cc1)C2=O ZINC000009583420 556301095 /nfs/dbraw/zinc/30/10/95/556301095.db2.gz HHQYHYMGCFPOOQ-UHFFFAOYSA-N 0 0 429.472 5.463 50 0 IKAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(NC[C@H]2CCCO2)n1 ZINC000013758620 556301100 /nfs/dbraw/zinc/30/11/00/556301100.db2.gz MMXLDPNMTLFSSE-OAHLLOKOSA-N 0 0 448.617 5.708 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013758233 556301104 /nfs/dbraw/zinc/30/11/04/556301104.db2.gz JEQQFEUEUJJGBJ-NTKDMRAZSA-N 0 0 434.879 5.320 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013758319 556301125 /nfs/dbraw/zinc/30/11/25/556301125.db2.gz YFVWOIWAXGDSFA-PXDATVDWSA-N 0 0 448.906 5.710 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013757807 556301154 /nfs/dbraw/zinc/30/11/54/556301154.db2.gz QDBHHIFPYJLHRN-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1 ZINC000009585492 556301132 /nfs/dbraw/zinc/30/11/32/556301132.db2.gz NGSGPEMQOKZYLL-UHFFFAOYSA-N 0 0 445.544 5.356 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O ZINC000013758689 556301196 /nfs/dbraw/zinc/30/11/96/556301196.db2.gz PXFLGXXWXAKJPJ-JOCHJYFZSA-N 0 0 439.939 5.424 50 0 IKAARN Cc1ccc(C(=O)[C@@H](CC(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009591931 556301524 /nfs/dbraw/zinc/30/15/24/556301524.db2.gz RXESRLGDRDYJNV-RUZDIDTESA-N 0 0 434.557 5.218 50 0 IKAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4Cl)nc3c1[C@H]2c1ccccc1 ZINC000013759299 556301520 /nfs/dbraw/zinc/30/15/20/556301520.db2.gz JNLDXIXXJLEURE-FQEVSTJZSA-N 0 0 426.863 5.436 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)C3=O ZINC000013758732 556301568 /nfs/dbraw/zinc/30/15/68/556301568.db2.gz BXSSWESYNWFMBY-VBKZILBWSA-N 0 0 444.314 5.132 50 0 IKAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3cc4ccccc4o3)n2C(C)C)sc1C ZINC000009595096 556301848 /nfs/dbraw/zinc/30/18/48/556301848.db2.gz OVIOOICEMHHKHQ-CQSZACIVSA-N 0 0 441.582 5.465 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000009597807 556301861 /nfs/dbraw/zinc/30/18/61/556301861.db2.gz KZWPXPUMWJALNZ-UHFFFAOYSA-N 0 0 441.318 5.762 50 0 IKAARN COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(C(F)(F)F)cc3C3CC3)n2)c1 ZINC000009597973 556302006 /nfs/dbraw/zinc/30/20/06/556302006.db2.gz SNLBKWIKGQGRKT-UHFFFAOYSA-N 0 0 428.336 5.253 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(-c2ccco2)on1 ZINC000009597882 556302124 /nfs/dbraw/zinc/30/21/24/556302124.db2.gz UVSAXUOSDFHOPW-UHFFFAOYSA-N 0 0 431.279 5.355 50 0 IKAARN COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000009601828 556302651 /nfs/dbraw/zinc/30/26/51/556302651.db2.gz NYGVSOSGONLPSC-JOCHJYFZSA-N 0 0 428.517 5.343 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1O ZINC000009601827 556302762 /nfs/dbraw/zinc/30/27/62/556302762.db2.gz CIYFTZQLXPIYKL-QFIPXVFZSA-N 0 0 444.516 5.048 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1F ZINC000009606416 556303002 /nfs/dbraw/zinc/30/30/02/556303002.db2.gz AHYBOYAIXOFAQI-HXUWFJFHSA-N 0 0 429.829 6.317 50 0 IKAARN CCCN(C(=O)c1ccccc1OCC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606401 556303108 /nfs/dbraw/zinc/30/31/08/556303108.db2.gz YVYZZEIQFIUOKS-UHFFFAOYSA-N 0 0 445.382 6.028 50 0 IKAARN CCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607160 556303298 /nfs/dbraw/zinc/30/32/98/556303298.db2.gz IERWAHQQERHIPR-UHFFFAOYSA-N 0 0 435.593 6.925 50 0 IKAARN CCN(C(=O)Nc1cccc(C(C)=O)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607154 556303307 /nfs/dbraw/zinc/30/33/07/556303307.db2.gz YRZXZGPVEBXBTR-UHFFFAOYSA-N 0 0 447.604 7.119 50 0 IKAARN CCN(C(=O)Nc1cccc(OC)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607140 556303344 /nfs/dbraw/zinc/30/33/44/556303344.db2.gz FBPAUSCGXLGBSL-UHFFFAOYSA-N 0 0 435.593 6.925 50 0 IKAARN Cc1cccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1C ZINC000009607345 556303349 /nfs/dbraw/zinc/30/33/49/556303349.db2.gz MKLCNYJLYMHZKW-OAQYLSRUSA-N 0 0 432.911 5.918 50 0 IKAARN CCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009607043 556303370 /nfs/dbraw/zinc/30/33/70/556303370.db2.gz UYRUEUXADYMKTH-UHFFFAOYSA-N 0 0 432.343 5.640 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000009614348 556303653 /nfs/dbraw/zinc/30/36/53/556303653.db2.gz XNWFIQRANGDVEM-CBKZDSQWSA-N 0 0 446.591 6.014 50 0 IKAARN CCc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009607536 556303675 /nfs/dbraw/zinc/30/36/75/556303675.db2.gz FBEDXKIMYHOGNK-NRFANRHFSA-N 0 0 432.911 5.864 50 0 IKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000013769085 556304225 /nfs/dbraw/zinc/30/42/25/556304225.db2.gz PQZBOLAUUSVQIX-RLWLMLJZSA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(C)=O)cc1OC ZINC000009630909 556304305 /nfs/dbraw/zinc/30/43/05/556304305.db2.gz FAAYDWBAYFQYDW-UHFFFAOYSA-N 0 0 441.531 5.105 50 0 IKAARN COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000009668169 556305260 /nfs/dbraw/zinc/30/52/60/556305260.db2.gz WJNAGXWPWXPDOR-UHFFFAOYSA-N 0 0 426.472 5.311 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000009668077 556305279 /nfs/dbraw/zinc/30/52/79/556305279.db2.gz UUQGIAHTDFSWQT-UHFFFAOYSA-N 0 0 428.275 5.766 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3Cl)=NN21 ZINC000013770918 556305341 /nfs/dbraw/zinc/30/53/41/556305341.db2.gz ZYSNQWMPQUZZHS-REWPJTCUSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000009669085 556305425 /nfs/dbraw/zinc/30/54/25/556305425.db2.gz GTYSUVBWRJSSAQ-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000022889316 556305482 /nfs/dbraw/zinc/30/54/82/556305482.db2.gz IHMRXAYGPWBDGD-JOCHJYFZSA-N 0 0 442.584 6.031 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2cccs2)cc1 ZINC000009679596 556306285 /nfs/dbraw/zinc/30/62/85/556306285.db2.gz BCWAAQWPHPENFX-FQEVSTJZSA-N 0 0 435.530 5.126 50 0 IKAARN CN1C(=O)S/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O ZINC000009720879 556307490 /nfs/dbraw/zinc/30/74/90/556307490.db2.gz DUSPBGZDYWNTSV-KPKJPENVSA-N 0 0 430.732 5.513 50 0 IKAARN O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1)c1ccccc1 ZINC000013785744 556308909 /nfs/dbraw/zinc/30/89/09/556308909.db2.gz ZEVNTDUUQLSHFN-IAPPQJPRSA-N 0 0 446.506 6.148 50 0 IKAARN O=c1nc(C(F)(F)F)cc(C=Cc2cn(Cc3ccccc3Cl)c3ccccc23)[nH]1 ZINC000009805191 556308945 /nfs/dbraw/zinc/30/89/45/556308945.db2.gz WJMSBUUGRZUZCU-MDZDMXLPSA-N 0 0 429.829 6.028 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000009804765 556308973 /nfs/dbraw/zinc/30/89/73/556308973.db2.gz WODQXXLVCVXCEC-SFHVURJKSA-N 0 0 444.354 5.187 50 0 IKAARN O=C(CSc1nc2c(c(-c3ccccc3)n1)CCCC2)N1N=CC[C@H]1c1ccccc1 ZINC000013786367 556309153 /nfs/dbraw/zinc/30/91/53/556309153.db2.gz NQUYRRJNCZSNLR-QFIPXVFZSA-N 0 0 428.561 5.074 50 0 IKAARN Brc1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 ZINC000013787551 556309556 /nfs/dbraw/zinc/30/95/56/556309556.db2.gz RZIWNCGOHITAST-UHFFFAOYSA-N 0 0 426.339 5.641 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000013799332 556309726 /nfs/dbraw/zinc/30/97/26/556309726.db2.gz JCOSWLKWFVQNSZ-AHKZPQOWSA-N 0 0 446.978 7.070 50 0 IKAARN COCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 ZINC000013799972 556310117 /nfs/dbraw/zinc/31/01/17/556310117.db2.gz JJQYJLZWMHHOHI-XDOYNYLZSA-N 0 0 433.371 5.257 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1C ZINC000009830253 556310346 /nfs/dbraw/zinc/31/03/46/556310346.db2.gz DGEIAQOWLYJUEW-UHFFFAOYSA-N 0 0 440.927 5.249 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1Br ZINC000013801040 556310492 /nfs/dbraw/zinc/31/04/92/556310492.db2.gz QWAVRWDTCAHYDT-JEBJBBSMSA-N 0 0 445.382 5.399 50 0 IKAARN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1Cl ZINC000013801265 556310572 /nfs/dbraw/zinc/31/05/72/556310572.db2.gz HGHRYEYNIQBPLY-UHFFFAOYSA-N 0 0 444.159 7.480 50 0 IKAARN CCCC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccc(Cl)cc1)n3CCCC2 ZINC000013803860 556310939 /nfs/dbraw/zinc/31/09/39/556310939.db2.gz PBUSJNIVZMAKRV-UHFFFAOYSA-N 0 0 430.979 7.356 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1Cl ZINC000013805581 556311180 /nfs/dbraw/zinc/31/11/80/556311180.db2.gz HPQRRSFUICGIOR-UHFFFAOYSA-N 0 0 435.380 5.619 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1Cl ZINC000013804961 556311195 /nfs/dbraw/zinc/31/11/95/556311195.db2.gz DJQCAJUSZYXIIQ-UHFFFAOYSA-N 0 0 444.988 5.172 50 0 IKAARN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2ON1c1ccccc1 ZINC000013807052 556311505 /nfs/dbraw/zinc/31/15/05/556311505.db2.gz IRKTWDNRKMSRGK-NXCFDTQHSA-N 0 0 434.495 5.199 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013810027 556311569 /nfs/dbraw/zinc/31/15/69/556311569.db2.gz PNKZDRRWOMOFFK-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN CCCCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 ZINC000013810135 556311877 /nfs/dbraw/zinc/31/18/77/556311877.db2.gz GKPYCTMGWMKNOF-GYHWCHFESA-N 0 0 445.426 6.800 50 0 IKAARN Cc1ccc2occ([C@H]3Oc4ccccc4[C@H]4CC(c5ccc(Cl)cc5)=NN43)c(=O)c2c1 ZINC000013810210 556311881 /nfs/dbraw/zinc/31/18/81/556311881.db2.gz HWACLPWDFOEXOK-ATIYNZHBSA-N 0 0 442.902 5.997 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013810409 556311891 /nfs/dbraw/zinc/31/18/91/556311891.db2.gz JIYGUEBKZPURAW-VWNXMTODSA-N 0 0 449.348 6.090 50 0 IKAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000013810644 556312303 /nfs/dbraw/zinc/31/23/03/556312303.db2.gz LFJBJNCPKYFKCX-IYBDPMFKSA-N 0 0 447.025 5.797 50 0 IKAARN C[C@@H]1CCCCN1C(=S)SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000009849794 556313851 /nfs/dbraw/zinc/31/38/51/556313851.db2.gz DBFKRACRFPSERW-OAHLLOKOSA-N 0 0 447.025 5.402 50 0 IKAARN CCCCc1ccc(-c2nc3ccccc3c(Nc3ccc(Br)cc3C)n2)cc1 ZINC000009861297 556314607 /nfs/dbraw/zinc/31/46/07/556314607.db2.gz XWZYNUUNHLCMOD-UHFFFAOYSA-N 0 0 446.392 7.454 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2cccc(OC)c2)c1 ZINC000009861276 556314630 /nfs/dbraw/zinc/31/46/30/556314630.db2.gz DYILXTIHIFNPAX-VWLOTQADSA-N 0 0 432.520 5.259 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000009892168 556315228 /nfs/dbraw/zinc/31/52/28/556315228.db2.gz SMMPVMBCASVRPN-UHFFFAOYSA-N 0 0 445.544 5.754 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000009892196 556315419 /nfs/dbraw/zinc/31/54/19/556315419.db2.gz PXSHGZBNWIEHGI-GFCCVEGCSA-N 0 0 447.284 6.018 50 0 IKAARN O=C(Cc1noc2ccccc12)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032747495 556315986 /nfs/dbraw/zinc/31/59/86/556315986.db2.gz VGNYADOLDZRRPU-LJQANCHMSA-N 0 0 429.907 5.453 50 0 IKAARN Cc1ccc(OCCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000013828248 556316301 /nfs/dbraw/zinc/31/63/01/556316301.db2.gz UYSWKYHEVMNXSA-UHFFFAOYSA-N 0 0 433.596 5.443 50 0 IKAARN Cc1ccc(-c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000009907397 556316381 /nfs/dbraw/zinc/31/63/81/556316381.db2.gz REELLJTUUOJIKD-UHFFFAOYSA-N 0 0 432.243 6.153 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1Cl ZINC000013839174 556317561 /nfs/dbraw/zinc/31/75/61/556317561.db2.gz NXFDOTNKVIBJFD-XMMPIXPASA-N 0 0 429.907 5.314 50 0 IKAARN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000013844316 556318402 /nfs/dbraw/zinc/31/84/02/556318402.db2.gz JEDCGFGZYOTSNY-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 ZINC000013847487 556319527 /nfs/dbraw/zinc/31/95/27/556319527.db2.gz AQSHMDXPYVHJKI-UHFFFAOYSA-N 0 0 440.590 5.023 50 0 IKAARN O=C(OC1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O ZINC000013857800 556321605 /nfs/dbraw/zinc/32/16/05/556321605.db2.gz BGILATRMMSWBQS-UHFFFAOYSA-N 0 0 441.483 5.769 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)C1=O ZINC000013858068 556321787 /nfs/dbraw/zinc/32/17/87/556321787.db2.gz DADZMEGPNJPHAR-GDLZYMKVSA-N 0 0 441.571 5.545 50 0 IKAARN CC1(C)Cc2c(sc3c2c(N)nc(=S)n3Cc2ccc(Br)cc2)CO1 ZINC000013865264 556322224 /nfs/dbraw/zinc/32/22/24/556322224.db2.gz BQAFOLTWQITHBF-UHFFFAOYSA-N 0 0 436.400 5.072 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 ZINC000010013440 556322486 /nfs/dbraw/zinc/32/24/86/556322486.db2.gz IYJYANWSRNBAKH-UHFFFAOYSA-N 0 0 432.614 6.164 50 0 IKAARN O=C(CSc1nc2c(c(-c3ccccc3)n1)CCCCC2)N1N=CC[C@@H]1c1ccccc1 ZINC000010035354 556323014 /nfs/dbraw/zinc/32/30/14/556323014.db2.gz PLHKDNRGYBFJJR-HSZRJFAPSA-N 0 0 442.588 5.464 50 0 IKAARN Cc1cc2occ(CC(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C(C)C ZINC000032753856 556323086 /nfs/dbraw/zinc/32/30/86/556323086.db2.gz SRMXLRADZZXZNG-QGZVFWFLSA-N 0 0 427.566 5.030 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 ZINC000010039785 556323366 /nfs/dbraw/zinc/32/33/66/556323366.db2.gz PYORKDUVQGRLLF-UHFFFAOYSA-N 0 0 429.259 5.227 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000010060175 556324367 /nfs/dbraw/zinc/32/43/67/556324367.db2.gz GUOOLVMZYUMEED-QFIPXVFZSA-N 0 0 448.448 5.983 50 0 IKAARN Clc1ccc(Cc2noc(COc3ccc(Br)cc3Cl)n2)c(Cl)c1 ZINC000013880066 556325305 /nfs/dbraw/zinc/32/53/05/556325305.db2.gz RBWVNSVGCUJKCY-UHFFFAOYSA-N 0 0 448.531 5.962 50 0 IKAARN CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000013880431 556325687 /nfs/dbraw/zinc/32/56/87/556325687.db2.gz CQXPRXRZKIXAEX-UHFFFAOYSA-N 0 0 447.029 5.424 50 0 IKAARN Cc1cc(Cl)ccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013880271 556325708 /nfs/dbraw/zinc/32/57/08/556325708.db2.gz VRBYBUQRSFEZIU-UHFFFAOYSA-N 0 0 436.024 5.752 50 0 IKAARN COc1cc(NC(=O)COc2ccccc2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000010128923 556326626 /nfs/dbraw/zinc/32/66/26/556326626.db2.gz GRLAZOATLPKXEC-UHFFFAOYSA-N 0 0 435.863 5.140 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)c(C)c1 ZINC000013893203 556327473 /nfs/dbraw/zinc/32/74/73/556327473.db2.gz AJYAEZMGMMVQDL-AREMUKBSSA-N 0 0 433.935 5.007 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)c(C)c1 ZINC000013893200 556327571 /nfs/dbraw/zinc/32/75/71/556327571.db2.gz AJYAEZMGMMVQDL-SANMLTNESA-N 0 0 433.935 5.007 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccc(C)c(O)c3)/c(=N/Nc3ccc(Cl)cc3)oc21 ZINC000013894032 556328178 /nfs/dbraw/zinc/32/81/78/556328178.db2.gz JZRACARWPOBJDT-COOPMVRXSA-N 0 0 449.894 5.289 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013893929 556328316 /nfs/dbraw/zinc/32/83/16/556328316.db2.gz MWOHXLLTVRMWKY-XKZIYDEJSA-N 0 0 447.918 5.971 50 0 IKAARN O=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1ccccc1OCCc1ccccc1 ZINC000010280938 556329493 /nfs/dbraw/zinc/32/94/93/556329493.db2.gz JSOFUZSRNKWOEU-UHFFFAOYSA-N 0 0 442.559 5.623 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013898782 556330427 /nfs/dbraw/zinc/33/04/27/556330427.db2.gz KAZCZINTYFPOIZ-OAQYLSRUSA-N 0 0 430.548 5.122 50 0 IKAARN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(Cl)cc1Cl ZINC000013898603 556330529 /nfs/dbraw/zinc/33/05/29/556330529.db2.gz FHMOOGJAFONTAA-CHHVJCJISA-N 0 0 426.346 5.910 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013899074 556330848 /nfs/dbraw/zinc/33/08/48/556330848.db2.gz NJVCSOHQJAMONT-UHFFFAOYSA-N 0 0 426.950 6.473 50 0 IKAARN CC(=O)c1ccc(N(Cc2cc(-c3ccccc3)on2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000032764958 556332431 /nfs/dbraw/zinc/33/24/31/556332431.db2.gz GEULODBRAROPCL-UHFFFAOYSA-N 0 0 446.528 5.248 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)cc1F ZINC000032768113 556332863 /nfs/dbraw/zinc/33/28/63/556332863.db2.gz UUBJYKJZJGHWLR-UHFFFAOYSA-N 0 0 437.478 5.241 50 0 IKAARN COc1cc(CN(C(=O)c2cc(Br)ccc2F)C2CC2)ccc1OC(F)F ZINC000032772473 556335319 /nfs/dbraw/zinc/33/53/19/556335319.db2.gz FIJRYVXANCTVSC-UHFFFAOYSA-N 0 0 444.247 5.003 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C ZINC000013936239 556335927 /nfs/dbraw/zinc/33/59/27/556335927.db2.gz XKMTWRQIKMEDKK-UHFFFAOYSA-N 0 0 425.579 5.222 50 0 IKAARN Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013936076 556336055 /nfs/dbraw/zinc/33/60/55/556336055.db2.gz MAWUNROUVDIEDC-UHFFFAOYSA-N 0 0 431.970 5.258 50 0 IKAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(F)c3)cc2)c(C)c1 ZINC000013936294 556336296 /nfs/dbraw/zinc/33/62/96/556336296.db2.gz WWYRQUDFVCZHKK-UHFFFAOYSA-N 0 0 443.569 5.361 50 0 IKAARN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)NC2CCCC2)cc1 ZINC000013937411 556336975 /nfs/dbraw/zinc/33/69/75/556336975.db2.gz DIWKWQYAKDPBST-UHFFFAOYSA-N 0 0 444.409 5.023 50 0 IKAARN S=C1N=NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)N1c1ccccc1 ZINC000003074455 556338256 /nfs/dbraw/zinc/33/82/56/556338256.db2.gz PSHQKXPEBWWXSO-UHFFFAOYSA-N 0 0 442.573 5.096 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1c1ccccc1 ZINC000013942377 556339343 /nfs/dbraw/zinc/33/93/43/556339343.db2.gz HCRVNLGCAGIHPX-MHZLTWQESA-N 0 0 434.926 7.238 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1C[C@H]1CCCO1 ZINC000013942456 556339694 /nfs/dbraw/zinc/33/96/94/556339694.db2.gz UPSRTAGRGBASRX-BCHFMIIMSA-N 0 0 426.491 5.698 50 0 IKAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)c3ccccc3n2C)cc1 ZINC000013942422 556339714 /nfs/dbraw/zinc/33/97/14/556339714.db2.gz CXFNAUQDRCHVEY-LYZGTLIUSA-N 0 0 436.555 5.878 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1 ZINC000013942496 556339814 /nfs/dbraw/zinc/33/98/14/556339814.db2.gz OIIDYAJILYHOFN-HRFSGMKKSA-N 0 0 438.527 5.568 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1C[C@H]1CCCO1 ZINC000013942455 556339822 /nfs/dbraw/zinc/33/98/22/556339822.db2.gz UPSRTAGRGBASRX-NIYFSFCBSA-N 0 0 426.491 5.698 50 0 IKAARN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(C)s2)[C@H]1c1ccccc1 ZINC000013942515 556340031 /nfs/dbraw/zinc/34/00/31/556340031.db2.gz QTGCSJQAILOSIR-FQEVSTJZSA-N 0 0 435.578 5.065 50 0 IKAARN CCN1CCN([C@H](c2sccc2C)c2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000022920974 556340587 /nfs/dbraw/zinc/34/05/87/556340587.db2.gz CREQXPHUTWNMTI-FQEVSTJZSA-N 0 0 443.638 5.307 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C2CCCCC2)c1 ZINC000013943869 556340950 /nfs/dbraw/zinc/34/09/50/556340950.db2.gz LGJMUUUJBQTCNM-NDEPHWFRSA-N 0 0 436.555 6.721 50 0 IKAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3C3CCCCC3)c3ccccc3n2C)cc1 ZINC000013943806 556340963 /nfs/dbraw/zinc/34/09/63/556340963.db2.gz AGGKHIVKVGCKLU-GDLZYMKVSA-N 0 0 434.583 7.032 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000011565540 556341892 /nfs/dbraw/zinc/34/18/92/556341892.db2.gz RLAYJUDLCFRDCU-UHFFFAOYSA-N 0 0 437.746 5.167 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000013946058 556343021 /nfs/dbraw/zinc/34/30/21/556343021.db2.gz DYCTYGYUXWYGLF-UHFFFAOYSA-N 0 0 438.936 5.951 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Br)cc1 ZINC000013946056 556343023 /nfs/dbraw/zinc/34/30/23/556343023.db2.gz YJRSQFJJYWVLQN-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN Cc1c(NC(=O)c2cccc3c(Cl)cccc23)cccc1-c1nc2ccccc2s1 ZINC000013946053 556343045 /nfs/dbraw/zinc/34/30/45/556343045.db2.gz UQVITXRNNBMEED-UHFFFAOYSA-N 0 0 428.944 7.331 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000013946115 556343394 /nfs/dbraw/zinc/34/33/94/556343394.db2.gz MEJNFZIISNPIEP-UHFFFAOYSA-N 0 0 427.504 5.955 50 0 IKAARN CC(C)COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000013946069 556343448 /nfs/dbraw/zinc/34/34/48/556343448.db2.gz RMLNNHWCCWHJAK-UHFFFAOYSA-N 0 0 436.964 6.904 50 0 IKAARN CC(C)c1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000013946076 556343460 /nfs/dbraw/zinc/34/34/60/556343460.db2.gz QVKJKRQQVMREMQ-UHFFFAOYSA-N 0 0 425.315 7.177 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 ZINC000013954884 556344485 /nfs/dbraw/zinc/34/44/85/556344485.db2.gz WOBOKOFYAJJWDI-MRXNPFEDSA-N 0 0 434.923 6.679 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000032779236 556344490 /nfs/dbraw/zinc/34/44/90/556344490.db2.gz QKEKITFBHDEMDR-OAHLLOKOSA-N 0 0 437.590 5.268 50 0 IKAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000013954972 556344502 /nfs/dbraw/zinc/34/45/02/556344502.db2.gz WOSJOIZRSPODCP-UHFFFAOYSA-N 0 0 440.499 5.841 50 0 IKAARN CCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21 ZINC000013955541 556344826 /nfs/dbraw/zinc/34/48/26/556344826.db2.gz LJBYWYWIOGJJHK-QYBDOPJKSA-N 0 0 431.580 5.497 50 0 IKAARN CCc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)s1 ZINC000013956964 556345233 /nfs/dbraw/zinc/34/52/33/556345233.db2.gz ROIHHSWZYVDXQQ-UHFFFAOYSA-N 0 0 439.338 5.331 50 0 IKAARN Cc1cc(C(F)(F)F)nc2sc3c(c21)N[C@H](c1cc(Br)cs1)NC3=O ZINC000013958212 556345650 /nfs/dbraw/zinc/34/56/50/556345650.db2.gz KOXROGMPBWHMMP-LBPRGKRZSA-N 0 0 448.289 5.302 50 0 IKAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000011665217 556345778 /nfs/dbraw/zinc/34/57/78/556345778.db2.gz RROWMKVSCUOMLC-GOSISDBHSA-N 0 0 443.906 5.069 50 0 IKAARN O=C1N[C@@H](CC(F)(F)F)Nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000013958239 556345972 /nfs/dbraw/zinc/34/59/72/556345972.db2.gz DWJRGXVHCXJDKY-VIFPVBQESA-N 0 0 437.390 5.477 50 0 IKAARN Cc1nnc2n1N=C(c1ccc(F)cc1F)/C(=C\c1cc(Br)cs1)S2 ZINC000013958257 556345992 /nfs/dbraw/zinc/34/59/92/556345992.db2.gz WTDBROYAMUHAQL-MKMNVTDBSA-N 0 0 439.310 5.088 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000013958947 556346359 /nfs/dbraw/zinc/34/63/59/556346359.db2.gz UKIBBFLNDUEJEV-UHFFFAOYSA-N 0 0 446.498 5.175 50 0 IKAARN Cc1cc(C(F)(F)Cl)nc2sc(C(=O)Nc3ccc(Cl)cc3Cl)c(N)c21 ZINC000013959539 556346424 /nfs/dbraw/zinc/34/64/24/556346424.db2.gz LFHOABWYWIOGGQ-UHFFFAOYSA-N 0 0 436.698 6.034 50 0 IKAARN CC[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000013959840 556346663 /nfs/dbraw/zinc/34/66/63/556346663.db2.gz RRNBEUCIJOYMHA-GZDOSPBESA-N 0 0 442.344 5.775 50 0 IKAARN Cc1c(Cl)c(=O)oc2cc(OCc3cccc(Oc4ccccc4)c3)c(Cl)cc12 ZINC000011692242 556346818 /nfs/dbraw/zinc/34/68/18/556346818.db2.gz LIXHTTZTBHRRIY-UHFFFAOYSA-N 0 0 427.283 6.780 50 0 IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccc(Br)cc1 ZINC000011692359 556346880 /nfs/dbraw/zinc/34/68/80/556346880.db2.gz MNJHTJZFSVKGSK-UHFFFAOYSA-N 0 0 435.273 5.484 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960645 556347940 /nfs/dbraw/zinc/34/79/40/556347940.db2.gz JALAGZBIXSMMRY-UHFFFAOYSA-N 0 0 427.762 7.783 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2c(F)cccc2Cl)c1-c1ccc(C)c(C)c1 ZINC000013960692 556347946 /nfs/dbraw/zinc/34/79/46/556347946.db2.gz KEASVSRYEVQFBV-UHFFFAOYSA-N 0 0 432.970 7.600 50 0 IKAARN Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)c(C)c3)c2Br)cc1C ZINC000013960719 556347970 /nfs/dbraw/zinc/34/79/70/556347970.db2.gz LCGQWTDBBVBYFK-UHFFFAOYSA-N 0 0 445.404 7.262 50 0 IKAARN Fc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(F)cc3)c2Br)cc1 ZINC000013960664 556348005 /nfs/dbraw/zinc/34/80/05/556348005.db2.gz CDCHKDGBEYBACQ-UHFFFAOYSA-N 0 0 443.266 6.445 50 0 IKAARN Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000013960713 556348045 /nfs/dbraw/zinc/34/80/45/556348045.db2.gz PELWMOHSMLRTPJ-UHFFFAOYSA-N 0 0 449.913 7.261 50 0 IKAARN O=C(c1[nH]c(=O)nc2ccccc21)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000011712998 556348098 /nfs/dbraw/zinc/34/80/98/556348098.db2.gz OCVGWHKWZJJCSL-DEOSSOPVSA-N 0 0 426.520 5.137 50 0 IKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000013960752 556348303 /nfs/dbraw/zinc/34/83/03/556348303.db2.gz CGUBBURPXKMJQH-UHFFFAOYSA-N 0 0 435.688 7.445 50 0 IKAARN Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)cc1 ZINC000013960725 556348370 /nfs/dbraw/zinc/34/83/70/556348370.db2.gz QLZNTLJJJHWBPH-UHFFFAOYSA-N 0 0 439.303 6.615 50 0 IKAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000011717510 556348428 /nfs/dbraw/zinc/34/84/28/556348428.db2.gz ZHRCWVXWRJFYFZ-OAQYLSRUSA-N 0 0 442.950 5.199 50 0 IKAARN Cc1ccc2[nH]cc(CCNC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)c2c1 ZINC000013961469 556348912 /nfs/dbraw/zinc/34/89/12/556348912.db2.gz GFWMGBFPIPQMIC-UHFFFAOYSA-N 0 0 445.473 5.096 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(Cl)cc1)[C@H]3c1ccccc1C ZINC000013961454 556348972 /nfs/dbraw/zinc/34/89/72/556348972.db2.gz USQACFPSNVSOSG-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032781527 556349578 /nfs/dbraw/zinc/34/95/78/556349578.db2.gz VDZORJAONYHYQF-HYBUGGRVSA-N 0 0 434.586 5.248 50 0 IKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032781520 556349693 /nfs/dbraw/zinc/34/96/93/556349693.db2.gz NQXKJJFYBYKYAW-NRFANRHFSA-N 0 0 442.993 5.378 50 0 IKAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC000011770996 556350170 /nfs/dbraw/zinc/35/01/70/556350170.db2.gz ULAJOPYZCLBTSY-QHCPKHFHSA-N 0 0 427.500 5.417 50 0 IKAARN O=C(c1c(Cl)cccc1Cl)N1CCCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000013967446 556350372 /nfs/dbraw/zinc/35/03/72/556350372.db2.gz QLGGZBHOVPYSGV-UHFFFAOYSA-N 0 0 446.161 5.289 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc3ccccc3c2)NC(=O)N1 ZINC000032778214 556351084 /nfs/dbraw/zinc/35/10/84/556351084.db2.gz YGEVUUZAOZODLV-FQEVSTJZSA-N 0 0 425.410 5.125 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)(C)C)s3)c3ccccc3n2)cc1C ZINC000013989185 556352787 /nfs/dbraw/zinc/35/27/87/556352787.db2.gz GTSMEJWLOJTILO-UHFFFAOYSA-N 0 0 430.577 6.211 50 0 IKAARN C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000011787246 556353771 /nfs/dbraw/zinc/35/37/71/556353771.db2.gz XDDKDRNJZUVEND-XVNBXDOJSA-N 0 0 437.547 5.083 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1 ZINC000014008841 556353818 /nfs/dbraw/zinc/35/38/18/556353818.db2.gz UHKSYCMNJWPBJL-QGZVFWFLSA-N 0 0 428.488 5.440 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000014008922 556353848 /nfs/dbraw/zinc/35/38/48/556353848.db2.gz QYQCQDUHYACMBX-UHFFFAOYSA-N 0 0 449.963 5.931 50 0 IKAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)N3CCCCCCC3)c21 ZINC000011789505 556354965 /nfs/dbraw/zinc/35/49/65/556354965.db2.gz IMZNDUCNMPUXNL-UHFFFAOYSA-N 0 0 448.567 5.097 50 0 IKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3n[nH]c([C@H]4CCCO4)n3)cc2)c1 ZINC000014018911 556356220 /nfs/dbraw/zinc/35/62/20/556356220.db2.gz UNLMIJVCVZFQLO-GOSISDBHSA-N 0 0 440.594 5.155 50 0 IKAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc12 ZINC000014066108 556359193 /nfs/dbraw/zinc/35/91/93/556359193.db2.gz BPPGWSJBLQSLSZ-LJQANCHMSA-N 0 0 439.581 5.201 50 0 IKAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc12 ZINC000014066111 556359208 /nfs/dbraw/zinc/35/92/08/556359208.db2.gz BPPGWSJBLQSLSZ-IBGZPJMESA-N 0 0 439.581 5.201 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)c1ccc(F)c(F)c1 ZINC000014069753 556360374 /nfs/dbraw/zinc/36/03/74/556360374.db2.gz ZOWBKARPXLOHCS-CQSZACIVSA-N 0 0 425.460 5.228 50 0 IKAARN CC(C)CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000014068954 556360401 /nfs/dbraw/zinc/36/04/01/556360401.db2.gz JHPKXMVKSXYHLK-QGZVFWFLSA-N 0 0 445.592 5.172 50 0 IKAARN Cc1ccccc1OCc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n[nH]1 ZINC000014070369 556360749 /nfs/dbraw/zinc/36/07/49/556360749.db2.gz ZCHXVXUHTBJUET-SFHVURJKSA-N 0 0 444.560 5.478 50 0 IKAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000011819235 556361025 /nfs/dbraw/zinc/36/10/25/556361025.db2.gz YNPGVZQALKQNKM-VWLOTQADSA-N 0 0 436.490 5.485 50 0 IKAARN C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)c(F)c1 ZINC000014072422 556361141 /nfs/dbraw/zinc/36/11/41/556361141.db2.gz LKHSTSHWRQRYRX-QGZVFWFLSA-N 0 0 432.470 6.097 50 0 IKAARN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000014071071 556361160 /nfs/dbraw/zinc/36/11/60/556361160.db2.gz WBSFZQZSBMCBBX-IBGZPJMESA-N 0 0 434.609 5.105 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@H]2CCCC[C@@H]2C)c1 ZINC000014075401 556361528 /nfs/dbraw/zinc/36/15/28/556361528.db2.gz AKOCAXHHNBGBCQ-RDJZCZTQSA-N 0 0 446.041 6.695 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4cc(Cl)ccc4o3)n2)cc1 ZINC000014076329 556361827 /nfs/dbraw/zinc/36/18/27/556361827.db2.gz LAZVQYWURNTBQP-UHFFFAOYSA-N 0 0 425.897 5.098 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C3CC3)C3CCC(C)CC3)c2)cc1 ZINC000032796992 556362728 /nfs/dbraw/zinc/36/27/28/556362728.db2.gz TYCRBZIDFBDCLO-UHFFFAOYSA-N 0 0 440.609 5.003 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)no1 ZINC000014083532 556363285 /nfs/dbraw/zinc/36/32/85/556363285.db2.gz VKZSDCBSSOISDA-UHFFFAOYSA-N 0 0 430.529 6.628 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014083826 556363476 /nfs/dbraw/zinc/36/34/76/556363476.db2.gz PNJOLLOUHCBZIV-HNNXBMFYSA-N 0 0 437.952 5.933 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)o2)cc1OC ZINC000014086018 556364637 /nfs/dbraw/zinc/36/46/37/556364637.db2.gz ZARSRFQEQIVATA-UHFFFAOYSA-N 0 0 447.516 5.152 50 0 IKAARN Cc1cccc2c(C)cc(SCc3nnc(-c4ccccc4Br)o3)nc12 ZINC000014086478 556364674 /nfs/dbraw/zinc/36/46/74/556364674.db2.gz UXWWLZACTYHIHE-UHFFFAOYSA-N 0 0 426.339 5.956 50 0 IKAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032801698 556365073 /nfs/dbraw/zinc/36/50/73/556365073.db2.gz GTGJPUFGBVXCPC-OAHLLOKOSA-N 0 0 437.421 5.282 50 0 IKAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000014092780 556365743 /nfs/dbraw/zinc/36/57/43/556365743.db2.gz GSUHLVCXCHVJJA-KDURUIRLSA-N 0 0 446.547 5.269 50 0 IKAARN Cc1nc([C@@H](C)NCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c(C)s1 ZINC000011842749 556366368 /nfs/dbraw/zinc/36/63/68/556366368.db2.gz TVCGGJHUWFVWQL-OAHLLOKOSA-N 0 0 438.547 6.050 50 0 IKAARN CC(=O)N(c1nc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cs1)c1ccccc1 ZINC000014094922 556366876 /nfs/dbraw/zinc/36/68/76/556366876.db2.gz GRMMDWILOIKYQZ-GOSISDBHSA-N 0 0 448.617 5.817 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CC1=O ZINC000014095552 556367484 /nfs/dbraw/zinc/36/74/84/556367484.db2.gz KEZJTHLKHBEQAJ-GOSISDBHSA-N 0 0 425.960 5.275 50 0 IKAARN COc1ccc(C(=O)[C@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)c2ccccc2)cc1F ZINC000011866542 556368157 /nfs/dbraw/zinc/36/81/57/556368157.db2.gz KQCMJONRVBMLTH-AREMUKBSSA-N 0 0 444.458 5.432 50 0 IKAARN CCc1ccc(NC(=O)Cc2nc(-c3ccc(SC)c(NC(C)=O)c3)cs2)cc1 ZINC000014103241 556368257 /nfs/dbraw/zinc/36/82/57/556368257.db2.gz WVYOJKUUJQCWJH-UHFFFAOYSA-N 0 0 425.579 5.234 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 ZINC000011866545 556368276 /nfs/dbraw/zinc/36/82/76/556368276.db2.gz WBJFCCZPHRGGGG-VWLOTQADSA-N 0 0 430.887 5.938 50 0 IKAARN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000032806147 556368557 /nfs/dbraw/zinc/36/85/57/556368557.db2.gz KWPLNCVJMXMNIE-OAHLLOKOSA-N 0 0 432.911 5.242 50 0 IKAARN COc1cccc(-c2nc(CN(C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)c1OC ZINC000011873148 556369508 /nfs/dbraw/zinc/36/95/08/556369508.db2.gz QOOWMCUYBUXBGM-UHFFFAOYSA-N 0 0 446.551 5.102 50 0 IKAARN COc1cccc(N(C(=O)C2CCC2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000014118745 556371583 /nfs/dbraw/zinc/37/15/83/556371583.db2.gz QCWOSFOBHXLNBK-UHFFFAOYSA-N 0 0 433.360 6.590 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)cc2)cc1 ZINC000014121348 556372272 /nfs/dbraw/zinc/37/22/72/556372272.db2.gz PLUIZWMURBOFMS-UHFFFAOYSA-N 0 0 442.515 5.038 50 0 IKAARN COc1cccc(NC(=O)[C@@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1 ZINC000014123997 556372863 /nfs/dbraw/zinc/37/28/63/556372863.db2.gz YCQNHAFPMBVWBV-QHCPKHFHSA-N 0 0 449.601 5.658 50 0 IKAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000014128600 556373806 /nfs/dbraw/zinc/37/38/06/556373806.db2.gz QXKZCPNAPSIFKB-UHFFFAOYSA-N 0 0 428.532 5.055 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc2c1 ZINC000014128688 556373834 /nfs/dbraw/zinc/37/38/34/556373834.db2.gz MHNVQLROHKLWGN-INIZCTEOSA-N 0 0 447.560 5.037 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Sc1ncnc2sc(C)c(C)c21)c1ccccc1 ZINC000014128732 556373863 /nfs/dbraw/zinc/37/38/63/556373863.db2.gz AAPQTQBBCFLVAK-OAQYLSRUSA-N 0 0 449.601 6.179 50 0 IKAARN COCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(C)c1)C(=O)[C@@H]1CCCO1 ZINC000011910348 556374968 /nfs/dbraw/zinc/37/49/68/556374968.db2.gz PHCDCBHBYUHLIU-QHCPKHFHSA-N 0 0 438.955 5.018 50 0 IKAARN CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@H](C)c1cccc(OC)c1 ZINC000032800919 556375449 /nfs/dbraw/zinc/37/54/49/556375449.db2.gz DKJICFSHNKEFSG-OAHLLOKOSA-N 0 0 426.538 5.059 50 0 IKAARN COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)cc1 ZINC000011912788 556375611 /nfs/dbraw/zinc/37/56/11/556375611.db2.gz CSSYKMSGMCECQF-UHFFFAOYSA-N 0 0 446.547 5.845 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(Oc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000014138883 556375802 /nfs/dbraw/zinc/37/58/02/556375802.db2.gz BZUGNTQVDZYTEI-UHFFFAOYSA-N 0 0 439.393 5.702 50 0 IKAARN Cc1ccc2nc(NC(=O)c3nc(SCc4cccc(C)c4)ncc3Cl)sc2c1 ZINC000011914530 556376204 /nfs/dbraw/zinc/37/62/04/556376204.db2.gz PNDLEABQAPGWFR-UHFFFAOYSA-N 0 0 440.981 5.901 50 0 IKAARN COc1ccc(-n2cc(CN[C@H](C)c3csc(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000011934564 556377453 /nfs/dbraw/zinc/37/74/53/556377453.db2.gz GERSQPYVLHQNQE-OAHLLOKOSA-N 0 0 438.984 5.817 50 0 IKAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000014142362 556377587 /nfs/dbraw/zinc/37/75/87/556377587.db2.gz MPTXVOXIWWWTQZ-RUZDIDTESA-N 0 0 441.556 5.318 50 0 IKAARN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000014152812 556377624 /nfs/dbraw/zinc/37/76/24/556377624.db2.gz JBHPRFPRTCJWSA-UHFFFAOYSA-N 0 0 437.874 5.855 50 0 IKAARN CCOc1ccccc1-c1nc(CN(C)Cc2cccc(-n3nc(C)cc3C)c2)c(C)o1 ZINC000011934302 556377640 /nfs/dbraw/zinc/37/76/40/556377640.db2.gz DDMLYFWHRLHZMO-UHFFFAOYSA-N 0 0 430.552 5.483 50 0 IKAARN CC1(C)CC2(CCCCC2)N2C(=O)[C@]3(NCCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162414 556379003 /nfs/dbraw/zinc/37/90/03/556379003.db2.gz JFCNLEUEUKFFGN-NDEPHWFRSA-N 0 0 425.576 5.288 50 0 IKAARN Cc1csc(SCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)n1 ZINC000011945011 556379883 /nfs/dbraw/zinc/37/98/83/556379883.db2.gz NGGPAXCNIIFRIX-JOCHJYFZSA-N 0 0 437.565 5.338 50 0 IKAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cccc(-c4ccccc4)c3)C2)cc1OC ZINC000011954039 556380654 /nfs/dbraw/zinc/38/06/54/556380654.db2.gz PQPIZBPPUNPRNX-HSZRJFAPSA-N 0 0 429.516 5.106 50 0 IKAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc2sc3ccccc3c2s1 ZINC000014170546 556381454 /nfs/dbraw/zinc/38/14/54/556381454.db2.gz XOHWTBYRANLSTM-SFHVURJKSA-N 0 0 440.565 5.058 50 0 IKAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1=CCCCC1)c1ccccc1Cl ZINC000014171421 556381931 /nfs/dbraw/zinc/38/19/31/556381931.db2.gz NPTQRLQFJHKDFX-DEOSSOPVSA-N 0 0 449.982 5.169 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCc3sccc3[C@H]2C)cc1 ZINC000014180465 556382164 /nfs/dbraw/zinc/38/21/64/556382164.db2.gz WYBSLTHXCYBKRX-QGZVFWFLSA-N 0 0 430.573 5.984 50 0 IKAARN COc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)c(OC)c1 ZINC000014182552 556382775 /nfs/dbraw/zinc/38/27/75/556382775.db2.gz SFYHXXFPBHCTGH-LJQANCHMSA-N 0 0 444.988 5.083 50 0 IKAARN O=C1N(Cc2ccccc2)c2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 ZINC000011995069 556383904 /nfs/dbraw/zinc/38/39/04/556383904.db2.gz DQEZCGWQXTUPQG-UFHPHHKVSA-N 0 0 447.494 5.223 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000014185066 556385088 /nfs/dbraw/zinc/38/50/88/556385088.db2.gz OALNZYYRLPNCTG-UHFFFAOYSA-N 0 0 444.531 5.110 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(-c3cccs3)on1)CC2 ZINC000014184942 556385129 /nfs/dbraw/zinc/38/51/29/556385129.db2.gz PDEGQXCHTCVOJV-HSZRJFAPSA-N 0 0 438.574 5.630 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC000014185520 556385415 /nfs/dbraw/zinc/38/54/15/556385415.db2.gz CEGOYOFTCWIJNJ-UHFFFAOYSA-N 0 0 430.932 5.372 50 0 IKAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@@H]1CCCc2ccccc21 ZINC000012002229 556385894 /nfs/dbraw/zinc/38/58/94/556385894.db2.gz XLLDMVPXGBNFNF-LEAFIULHSA-N 0 0 426.560 5.005 50 0 IKAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@H]1CCCc2ccccc21 ZINC000012002232 556385991 /nfs/dbraw/zinc/38/59/91/556385991.db2.gz XLLDMVPXGBNFNF-LSYYVWMOSA-N 0 0 426.560 5.005 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c(OC)c1C ZINC000012021274 556386721 /nfs/dbraw/zinc/38/67/21/556386721.db2.gz RDDDEKDCCLFIBP-NRFANRHFSA-N 0 0 436.552 5.157 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)cs1 ZINC000014189888 556387762 /nfs/dbraw/zinc/38/77/62/556387762.db2.gz IGEPOYZNQJUPDW-UHFFFAOYSA-N 0 0 427.529 5.154 50 0 IKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)Cc1nc2ccccc2s1 ZINC000012031436 556388852 /nfs/dbraw/zinc/38/88/52/556388852.db2.gz QMPKEKXLTVYANK-UHFFFAOYSA-N 0 0 427.913 5.274 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)Cn2nc(-c3cccnc3)n(C)c2=S)s1 ZINC000014197692 556389107 /nfs/dbraw/zinc/38/91/07/556389107.db2.gz MAXNAANCQBMVSU-UHFFFAOYSA-N 0 0 435.622 5.085 50 0 IKAARN COC(=O)c1c(NC(=O)c2sc3cc(OC)ccc3c2Cl)sc2c1CCCC2 ZINC000012040200 556390710 /nfs/dbraw/zinc/39/07/10/556390710.db2.gz UUZQFHSCHQVDED-UHFFFAOYSA-N 0 0 435.954 5.543 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C ZINC000014201282 556391703 /nfs/dbraw/zinc/39/17/03/556391703.db2.gz ZTKNZPVVDXBNJK-UHFFFAOYSA-N 0 0 432.446 5.214 50 0 IKAARN CCc1ccc(CN2CC[C@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)o1 ZINC000012054082 556393225 /nfs/dbraw/zinc/39/32/25/556393225.db2.gz SSIBIJBQEIZAEE-HSZRJFAPSA-N 0 0 439.577 6.112 50 0 IKAARN Cc1nn(C)cc1CN(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012072433 556396125 /nfs/dbraw/zinc/39/61/25/556396125.db2.gz BCMHLMHYNHHZCY-UHFFFAOYSA-N 0 0 425.536 5.019 50 0 IKAARN CC(=O)c1cc(CN2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000012073780 556396538 /nfs/dbraw/zinc/39/65/38/556396538.db2.gz ZTHWJPDFMWKJNG-MRXNPFEDSA-N 0 0 438.515 5.600 50 0 IKAARN O=C1c2cccc3cccc(c32)C(=O)N1CCCSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000012080459 556398526 /nfs/dbraw/zinc/39/85/26/556398526.db2.gz SKLDCFGRSYTZLQ-UHFFFAOYSA-N 0 0 448.935 5.057 50 0 IKAARN Cc1nn2c(nc(NCc3ccc(C(=O)N4CCCCC4)cc3)c3ccccc32)c1Cl ZINC000014240339 556400983 /nfs/dbraw/zinc/40/09/83/556400983.db2.gz PYOYZLFQXODWJL-UHFFFAOYSA-N 0 0 433.943 5.083 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000014240706 556401223 /nfs/dbraw/zinc/40/12/23/556401223.db2.gz IZEJJJFRZBXQRS-HXUWFJFHSA-N 0 0 436.577 5.034 50 0 IKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014241967 556402314 /nfs/dbraw/zinc/40/23/14/556402314.db2.gz PLZOSJPAIBBIIU-QGZVFWFLSA-N 0 0 446.576 5.180 50 0 IKAARN Cc1nc([C@H](C)N(C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)c(C)s1 ZINC000012303657 556403367 /nfs/dbraw/zinc/40/33/67/556403367.db2.gz ODHOESPXVSKMAZ-HNNXBMFYSA-N 0 0 445.658 5.068 50 0 IKAARN COc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4C)=NN3C(=O)c3ccco3)cc2c1 ZINC000071924250 556403935 /nfs/dbraw/zinc/40/39/35/556403935.db2.gz RRJBDLMOSWTMKA-QFIPXVFZSA-N 0 0 445.906 5.790 50 0 IKAARN CCCC[C@@H](CC)COC(=O)CCCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000012405116 556404301 /nfs/dbraw/zinc/40/43/01/556404301.db2.gz VJHINFRRDQUWOJ-PSWAGMNNSA-N 0 0 426.682 7.626 50 0 IKAARN CC[C@H](c1nnc(SCc2cc(-c3cccs3)on2)n1Cc1ccccc1)N(C)C ZINC000014244647 556404385 /nfs/dbraw/zinc/40/43/85/556404385.db2.gz YIYIRGNJHMVWRG-GOSISDBHSA-N 0 0 439.610 5.348 50 0 IKAARN CC[C@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1Cc1ccccc1)N(C)C ZINC000014244634 556404476 /nfs/dbraw/zinc/40/44/76/556404476.db2.gz QKJQCUKXHSQNFC-OAQYLSRUSA-N 0 0 433.581 5.286 50 0 IKAARN CC[C@@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1Cc1ccccc1)N(C)C ZINC000014244635 556404504 /nfs/dbraw/zinc/40/45/04/556404504.db2.gz QKJQCUKXHSQNFC-NRFANRHFSA-N 0 0 433.581 5.286 50 0 IKAARN CCCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 ZINC000014244684 556404510 /nfs/dbraw/zinc/40/45/10/556404510.db2.gz WVDDTJQNOZVKFL-UHFFFAOYSA-N 0 0 449.576 5.225 50 0 IKAARN CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000014245057 556404705 /nfs/dbraw/zinc/40/47/05/556404705.db2.gz YNYRMDINNLNWTN-UHFFFAOYSA-N 0 0 429.907 5.509 50 0 IKAARN COc1ccc(C)cc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032578484 556405114 /nfs/dbraw/zinc/40/51/14/556405114.db2.gz YMPLBFCVUSWERP-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c(C)c1 ZINC000032578656 556405502 /nfs/dbraw/zinc/40/55/02/556405502.db2.gz YGPQAYQNMDXDIS-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1 ZINC000032578691 556405508 /nfs/dbraw/zinc/40/55/08/556405508.db2.gz FJPFSPUUAMYVBD-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000032578690 556405523 /nfs/dbraw/zinc/40/55/23/556405523.db2.gz HAPZRSXJCBFVSP-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000032578782 556405529 /nfs/dbraw/zinc/40/55/29/556405529.db2.gz XSEBOMZHLCVDDC-UHFFFAOYSA-N 0 0 433.895 5.061 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1 ZINC000032578694 556405550 /nfs/dbraw/zinc/40/55/50/556405550.db2.gz YTORYAMKFVPGGK-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN Cc1nonc1COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000032593359 556406981 /nfs/dbraw/zinc/40/69/81/556406981.db2.gz VSXPARXJTNJTSG-UHFFFAOYSA-N 0 0 442.500 5.486 50 0 IKAARN CCOc1cccc([C@@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)c1 ZINC000032593604 556407170 /nfs/dbraw/zinc/40/71/70/556407170.db2.gz XAZFLAOCVCXSHU-AREMUKBSSA-N 0 0 437.543 5.540 50 0 IKAARN CCOc1cccc([C@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)c1 ZINC000032593603 556407257 /nfs/dbraw/zinc/40/72/57/556407257.db2.gz XAZFLAOCVCXSHU-SANMLTNESA-N 0 0 437.543 5.540 50 0 IKAARN Cc1ccc(-c2noc(-c3cccc(NC(=O)c4cc(-c5ccc(C)cc5)on4)c3)n2)s1 ZINC000032594158 556407419 /nfs/dbraw/zinc/40/74/19/556407419.db2.gz CANIAOJYBJVSPG-UHFFFAOYSA-N 0 0 442.500 5.989 50 0 IKAARN Cc1cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl ZINC000032594061 556407482 /nfs/dbraw/zinc/40/74/82/556407482.db2.gz MZXIZSNFTNMOQE-OAHLLOKOSA-N 0 0 425.916 5.292 50 0 IKAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 ZINC000014250691 556408837 /nfs/dbraw/zinc/40/88/37/556408837.db2.gz IMZSJMUQTQSEKC-UHFFFAOYSA-N 0 0 439.924 5.127 50 0 IKAARN Cc1ccc(C)c(OC[C@H](O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C ZINC000014251738 556409243 /nfs/dbraw/zinc/40/92/43/556409243.db2.gz ZOCAVFFGOVUXMB-IBGZPJMESA-N 0 0 448.592 5.219 50 0 IKAARN CCCCOc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c2cccnc12 ZINC000032622541 556409986 /nfs/dbraw/zinc/40/99/86/556409986.db2.gz WZFYAJQUFSZKRY-UHFFFAOYSA-N 0 0 445.475 5.092 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000032622910 556410240 /nfs/dbraw/zinc/41/02/40/556410240.db2.gz SJPROWOBAXLMEV-QGZVFWFLSA-N 0 0 429.476 5.127 50 0 IKAARN O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1)c1ccc(Br)o1 ZINC000032623680 556410751 /nfs/dbraw/zinc/41/07/51/556410751.db2.gz FWPRRQSIRMJMCO-UHFFFAOYSA-N 0 0 428.217 5.151 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)n2)cc1 ZINC000032623858 556411012 /nfs/dbraw/zinc/41/10/12/556411012.db2.gz NVZCRYYUBPUDEM-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN CCCOc1ccc(NC(=O)c2oc3cc(Br)ccc3c2C)c2cccnc12 ZINC000032624141 556411169 /nfs/dbraw/zinc/41/11/69/556411169.db2.gz JDYBZBYYWSJBCV-UHFFFAOYSA-N 0 0 439.309 6.093 50 0 IKAARN CC(=O)c1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c(C)c1 ZINC000032624103 556411171 /nfs/dbraw/zinc/41/11/71/556411171.db2.gz ZRRSPERUDKAJPN-UHFFFAOYSA-N 0 0 430.888 5.292 50 0 IKAARN Cc1ccccc1-n1ncc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C(F)(F)F ZINC000032826582 556411204 /nfs/dbraw/zinc/41/12/04/556411204.db2.gz AZDQZDGGIXPGHE-UHFFFAOYSA-N 0 0 429.229 5.341 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2NC(=O)c2ccco2)cc1 ZINC000032624658 556411451 /nfs/dbraw/zinc/41/14/51/556411451.db2.gz PHSJVPCTWROTTE-UHFFFAOYSA-N 0 0 437.908 5.870 50 0 IKAARN CCn1c(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)nc2ccccc21 ZINC000032819138 556411636 /nfs/dbraw/zinc/41/16/36/556411636.db2.gz USFAYGPQZLFQAX-UHFFFAOYSA-N 0 0 442.544 5.420 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000059988092 556412662 /nfs/dbraw/zinc/41/26/62/556412662.db2.gz JSFPSPWFIAEXAS-CQSZACIVSA-N 0 0 444.348 5.142 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O ZINC000004385060 556413310 /nfs/dbraw/zinc/41/33/10/556413310.db2.gz GCENONUOEWPTQS-NRFANRHFSA-N 0 0 425.532 5.312 50 0 IKAARN CCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000004379440 556413544 /nfs/dbraw/zinc/41/35/44/556413544.db2.gz MLARTIWXOHEHDG-UHFFFAOYSA-N 0 0 432.605 5.399 50 0 IKAARN COc1cccc(-c2nc3c(OCc4ccccc4)cccn3c2NC2CCCCC2)c1 ZINC000004382646 556413916 /nfs/dbraw/zinc/41/39/16/556413916.db2.gz IJUJVMSUNCIRHV-UHFFFAOYSA-N 0 0 427.548 6.334 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 ZINC000014357864 556414157 /nfs/dbraw/zinc/41/41/57/556414157.db2.gz LWYMRSXAMOKILY-UHFFFAOYSA-N 0 0 444.600 6.186 50 0 IKAARN Cc1csc(SCC(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCCC3)n1 ZINC000014358841 556414205 /nfs/dbraw/zinc/41/42/05/556414205.db2.gz WYHQABLFKTVDOF-UHFFFAOYSA-N 0 0 442.631 5.662 50 0 IKAARN CC[C@@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C(C)C ZINC000004526971 556414956 /nfs/dbraw/zinc/41/49/56/556414956.db2.gz JOWXAZCVJYFTJR-GOSISDBHSA-N 0 0 432.605 5.255 50 0 IKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1Br ZINC000014370752 556415032 /nfs/dbraw/zinc/41/50/32/556415032.db2.gz KEZZPVHHIUAVBV-UHFFFAOYSA-N 0 0 427.220 5.069 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H]1CC(=O)N([C@H](C)c3ccccc3)C1)oc1ccccc12 ZINC000032675811 556415895 /nfs/dbraw/zinc/41/58/95/556415895.db2.gz IWWAXVJYFZIMGF-AEFFLSMTSA-N 0 0 428.488 5.143 50 0 IKAARN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032830587 556417111 /nfs/dbraw/zinc/41/71/11/556417111.db2.gz ABRYVWDOWGEAAS-HXUWFJFHSA-N 0 0 449.514 5.071 50 0 IKAARN COc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1OCc1cccnc1 ZINC000032832220 556417288 /nfs/dbraw/zinc/41/72/88/556417288.db2.gz CCIWZOCAIYOODY-UHFFFAOYSA-N 0 0 443.528 5.468 50 0 IKAARN CCOC(=O)c1sc(N(C(=O)COc2ccccc2Cl)c2ccccc2)nc1C ZINC000032832597 556417566 /nfs/dbraw/zinc/41/75/66/556417566.db2.gz XSVGLYYAESSGLF-UHFFFAOYSA-N 0 0 430.913 5.025 50 0 IKAARN NC(=O)Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1 ZINC000032832408 556417594 /nfs/dbraw/zinc/41/75/94/556417594.db2.gz YTXAHZMOGVPJNI-UHFFFAOYSA-N 0 0 437.908 5.004 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CN[C@H](c2cccs2)c2ccccc2)cs1 ZINC000012971365 556418800 /nfs/dbraw/zinc/41/88/00/556418800.db2.gz FDGLCTITWQMPDH-DEOSSOPVSA-N 0 0 447.629 6.331 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CN[C@@H](c2cccs2)c2ccccc2)cs1 ZINC000012971367 556418844 /nfs/dbraw/zinc/41/88/44/556418844.db2.gz FDGLCTITWQMPDH-XMMPIXPASA-N 0 0 447.629 6.331 50 0 IKAARN Cc1nc(CSc2nc3scc(-c4cccs4)c3c(=O)n2-c2ccccc2)no1 ZINC000032837611 556419104 /nfs/dbraw/zinc/41/91/04/556419104.db2.gz JBQWUENRBPMCSB-UHFFFAOYSA-N 0 0 438.559 5.159 50 0 IKAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000012974008 556419934 /nfs/dbraw/zinc/41/99/34/556419934.db2.gz WACGDRCAEQEROO-INIZCTEOSA-N 0 0 441.647 5.583 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)c1cccc(N2CCCC2=O)c1 ZINC000012975792 556421363 /nfs/dbraw/zinc/42/13/63/556421363.db2.gz ZLPLUDMZKSFLTL-UHFFFAOYSA-N 0 0 439.540 5.399 50 0 IKAARN O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976399 556421865 /nfs/dbraw/zinc/42/18/65/556421865.db2.gz PAJSKTYDTGXHEB-HAVBXNNZSA-N 0 0 434.552 5.147 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC ZINC000012976827 556422191 /nfs/dbraw/zinc/42/21/91/556422191.db2.gz MBRZCINJGJCVLY-AWEZNQCLSA-N 0 0 430.957 5.377 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N[C@H](C)CC(C)C)cnc2n1CC(C)C ZINC000014537133 556423730 /nfs/dbraw/zinc/42/37/30/556423730.db2.gz SQGCPJREOLVPAE-MRXNPFEDSA-N 0 0 440.544 5.171 50 0 IKAARN COC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012983024 556425477 /nfs/dbraw/zinc/42/54/77/556425477.db2.gz WCLKVEXZRRFSOJ-UHFFFAOYSA-N 0 0 449.890 5.235 50 0 IKAARN COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012983501 556425618 /nfs/dbraw/zinc/42/56/18/556425618.db2.gz MAPZOXSTVJCSEW-UHFFFAOYSA-N 0 0 433.895 5.338 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000012983800 556425712 /nfs/dbraw/zinc/42/57/12/556425712.db2.gz QRBCIFKAPKVSFI-XMMPIXPASA-N 0 0 444.535 5.538 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5c(c4)CC(=O)N5C)c23)cc1 ZINC000012987617 556427727 /nfs/dbraw/zinc/42/77/27/556427727.db2.gz YUQYHILMILRKMS-UHFFFAOYSA-N 0 0 445.569 5.161 50 0 IKAARN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@@H](C)c4ccccc4)c(=O)c23)cc1 ZINC000012988666 556427786 /nfs/dbraw/zinc/42/77/86/556427786.db2.gz NYHFSJNGKGKRDV-SFHVURJKSA-N 0 0 431.561 5.043 50 0 IKAARN O=C(Nc1cc2c(cc1Cl)OCO2)c1ccccc1CSc1nc2ccccc2o1 ZINC000032843632 556428742 /nfs/dbraw/zinc/42/87/42/556428742.db2.gz VHLRLMRUPKHWJD-UHFFFAOYSA-N 0 0 438.892 5.755 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1 ZINC000014625057 556429918 /nfs/dbraw/zinc/42/99/18/556429918.db2.gz SSDOYAUXHOQWON-UHFFFAOYSA-N 0 0 446.600 5.256 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)cc1Cl ZINC000012995409 556430779 /nfs/dbraw/zinc/43/07/79/556430779.db2.gz FOQFWSCUCKDVBJ-UHFFFAOYSA-N 0 0 429.885 5.183 50 0 IKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027795768 556433095 /nfs/dbraw/zinc/43/30/95/556433095.db2.gz WBJWLEDQJIILOC-FQEVSTJZSA-N 0 0 446.909 6.577 50 0 IKAARN CCCn1nc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c2ccccc2c1=O ZINC000013000921 556433190 /nfs/dbraw/zinc/43/31/90/556433190.db2.gz UFVQTPIMZPVKOX-UHFFFAOYSA-N 0 0 440.528 5.336 50 0 IKAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnc(-c3cccnc3)n2C2CC2)n1 ZINC000032855714 556433208 /nfs/dbraw/zinc/43/32/08/556433208.db2.gz MGCYMDYXAWLEBK-UHFFFAOYSA-N 0 0 448.602 5.868 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)NC[C@@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 ZINC000032855860 556433319 /nfs/dbraw/zinc/43/33/19/556433319.db2.gz DDGLOCPYJUALBB-CVEARBPZSA-N 0 0 437.490 5.617 50 0 IKAARN Cc1nn2c(nc(Sc3nnc(C4CC4)n3Cc3ccco3)c3ccccc32)c1Cl ZINC000032856120 556433605 /nfs/dbraw/zinc/43/36/05/556433605.db2.gz VXVMYQGRRTZSLS-UHFFFAOYSA-N 0 0 436.928 5.106 50 0 IKAARN O=C(CSc1nc2ccccc2s1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032856374 556433824 /nfs/dbraw/zinc/43/38/24/556433824.db2.gz HIHKRHMASAGZOP-HNNXBMFYSA-N 0 0 425.560 5.421 50 0 IKAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000014704442 556434496 /nfs/dbraw/zinc/43/44/96/556434496.db2.gz GCKVRJBVOSOVEN-ZWKOTPCHSA-N 0 0 436.508 6.108 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(Br)cc1 ZINC000013005741 556434810 /nfs/dbraw/zinc/43/48/10/556434810.db2.gz YTGJHYLFIXPWNT-UHFFFAOYSA-N 0 0 445.748 5.340 50 0 IKAARN COc1cc(Cl)c(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1OC ZINC000013005514 556434852 /nfs/dbraw/zinc/43/48/52/556434852.db2.gz XNHLMJFNICZRLL-UHFFFAOYSA-N 0 0 430.957 5.785 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000014706820 556435212 /nfs/dbraw/zinc/43/52/12/556435212.db2.gz DJDSEVLSAYVVJO-HNNXBMFYSA-N 0 0 446.425 5.172 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000013011968 556435877 /nfs/dbraw/zinc/43/58/77/556435877.db2.gz RACZLNWPXIRPSE-UHFFFAOYSA-N 0 0 434.540 5.326 50 0 IKAARN CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000013012568 556436254 /nfs/dbraw/zinc/43/62/54/556436254.db2.gz IINGXNUKQKRJDC-HNNXBMFYSA-N 0 0 430.570 5.286 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSCc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000013012570 556436377 /nfs/dbraw/zinc/43/63/77/556436377.db2.gz SWDRYUWSVQGVHQ-UHFFFAOYSA-N 0 0 437.348 5.837 50 0 IKAARN Cc1ccc(C)c(NC(=O)Cc2nc(CSc3nc(C)nc4ccccc43)cs2)c1 ZINC000013014233 556436734 /nfs/dbraw/zinc/43/67/34/556436734.db2.gz PPHOLGQYJJKKBV-UHFFFAOYSA-N 0 0 434.590 5.485 50 0 IKAARN Fc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 ZINC000013015628 556437316 /nfs/dbraw/zinc/43/73/16/556437316.db2.gz DNYHUBMKKVFGIZ-LEWJYISDSA-N 0 0 449.327 5.993 50 0 IKAARN Cc1cc(C)c(C)c(OCCCN2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)c1 ZINC000013015978 556437702 /nfs/dbraw/zinc/43/77/02/556437702.db2.gz LLPUSMLPKXXABW-UHFFFAOYSA-N 0 0 440.591 5.668 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000013016487 556437953 /nfs/dbraw/zinc/43/79/53/556437953.db2.gz YXKJLNKQXZUMEJ-UHFFFAOYSA-N 0 0 447.560 5.500 50 0 IKAARN CCSc1nnc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)s1 ZINC000014740155 556438109 /nfs/dbraw/zinc/43/81/09/556438109.db2.gz XXUZSRVYCKUTLX-UHFFFAOYSA-N 0 0 428.564 5.336 50 0 IKAARN Cc1cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c(C)n1-c1nccs1 ZINC000013017482 556438379 /nfs/dbraw/zinc/43/83/79/556438379.db2.gz OVDZRASLNFUPIA-UHFFFAOYSA-N 0 0 444.512 5.214 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c2)cs1 ZINC000013017648 556438685 /nfs/dbraw/zinc/43/86/85/556438685.db2.gz UYDGDFFTGSDLSX-XMMPIXPASA-N 0 0 440.524 5.825 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013017876 556439064 /nfs/dbraw/zinc/43/90/64/556439064.db2.gz AQMAYLGBBDGJER-UHFFFAOYSA-N 0 0 434.517 5.347 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)c2c[nH]c3ccccc32)cc1 ZINC000027989030 556439361 /nfs/dbraw/zinc/43/93/61/556439361.db2.gz NDNRKELFJPAHKD-QFIPXVFZSA-N 0 0 442.490 5.932 50 0 IKAARN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000013021147 556439597 /nfs/dbraw/zinc/43/95/97/556439597.db2.gz CFHFDRSNDWIQQR-JOCHJYFZSA-N 0 0 431.517 5.182 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 ZINC000027990394 556439683 /nfs/dbraw/zinc/43/96/83/556439683.db2.gz YAUVJPWAVKPZFE-UHFFFAOYSA-N 0 0 425.937 6.620 50 0 IKAARN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000027990254 556439691 /nfs/dbraw/zinc/43/96/91/556439691.db2.gz IFIRCZKFROVQEA-QGZVFWFLSA-N 0 0 428.985 5.515 50 0 IKAARN Cc1cc(C)c2oc(C(=O)N(Cc3cccc4ccccc43)c3ccccn3)cc(=O)c2c1 ZINC000027990404 556439766 /nfs/dbraw/zinc/43/97/66/556439766.db2.gz BPSUXDUPIBGVSM-UHFFFAOYSA-N 0 0 434.495 5.805 50 0 IKAARN CCN(C(=O)COc1cccc(C)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991093 556439814 /nfs/dbraw/zinc/43/98/14/556439814.db2.gz COTGCFCWWYOCDB-MHZLTWQESA-N 0 0 428.532 5.502 50 0 IKAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000027990879 556439823 /nfs/dbraw/zinc/43/98/23/556439823.db2.gz ZSKIYSZPAYXZFT-FQEVSTJZSA-N 0 0 447.918 5.421 50 0 IKAARN Fc1ccc(-c2nnc(SCc3coc(-c4ccccc4)n3)n2C[C@@H]2CCCO2)cc1 ZINC000032691289 556439948 /nfs/dbraw/zinc/43/99/48/556439948.db2.gz IJTWEOXYDLJLEM-FQEVSTJZSA-N 0 0 436.512 5.211 50 0 IKAARN CCN(C(=O)COc1ccc(F)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991254 556440093 /nfs/dbraw/zinc/44/00/93/556440093.db2.gz YKKJKHJPVDFMCY-AREMUKBSSA-N 0 0 432.495 5.333 50 0 IKAARN CCN(C(=O)COc1ccccc1OC)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993051 556440455 /nfs/dbraw/zinc/44/04/55/556440455.db2.gz SCMFDWZGSLUELK-HHHXNRCGSA-N 0 0 428.532 5.502 50 0 IKAARN Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1-c1nccs1 ZINC000013026749 556440577 /nfs/dbraw/zinc/44/05/77/556440577.db2.gz ZIZXCMRDNURMMV-UHFFFAOYSA-N 0 0 444.585 5.865 50 0 IKAARN CCN(C(=O)COc1ccc(Cl)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993154 556440591 /nfs/dbraw/zinc/44/05/91/556440591.db2.gz COSZDQGRKRMTTO-SANMLTNESA-N 0 0 432.951 6.147 50 0 IKAARN CCN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993159 556440611 /nfs/dbraw/zinc/44/06/11/556440611.db2.gz COSZDQGRKRMTTO-AREMUKBSSA-N 0 0 432.951 6.147 50 0 IKAARN CCN(C(=O)COc1ccc(C)c(C)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993128 556440661 /nfs/dbraw/zinc/44/06/61/556440661.db2.gz KDSLGZHDKULYEL-NDEPHWFRSA-N 0 0 426.560 6.110 50 0 IKAARN CCN(C(=O)COc1cc(C)cc(C)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993212 556440686 /nfs/dbraw/zinc/44/06/86/556440686.db2.gz LNGKCQQOIBJQHP-MUUNZHRXSA-N 0 0 426.560 6.110 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000027993821 556441098 /nfs/dbraw/zinc/44/10/98/556441098.db2.gz AKNPMDMQFVTFOZ-INIZCTEOSA-N 0 0 444.984 5.215 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@H]1CCSc2ccccc21 ZINC000013028064 556441301 /nfs/dbraw/zinc/44/13/01/556441301.db2.gz VNLKZFXHBLFNQT-SFHVURJKSA-N 0 0 449.626 5.804 50 0 IKAARN CC(C)(C)c1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)no1 ZINC000028006425 556441708 /nfs/dbraw/zinc/44/17/08/556441708.db2.gz OCDHOJPDAURKOJ-UHFFFAOYSA-N 0 0 425.945 5.561 50 0 IKAARN CC(C)(C)c1nc(CSc2nnc(Nc3cccc(Br)c3)s2)no1 ZINC000028015419 556441825 /nfs/dbraw/zinc/44/18/25/556441825.db2.gz HSENLEFTXNKYLC-UHFFFAOYSA-N 0 0 426.365 5.017 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000013030888 556442427 /nfs/dbraw/zinc/44/24/27/556442427.db2.gz DVJAUMKTXLSHNE-QHCPKHFHSA-N 0 0 426.604 7.164 50 0 IKAARN CCc1cc2c(COC(=O)c3c4ccccc4nc4c3CCCCC4)cc(=O)oc2cc1O ZINC000013038188 556443791 /nfs/dbraw/zinc/44/37/91/556443791.db2.gz PKZADTVQLOUJNN-UHFFFAOYSA-N 0 0 443.499 5.235 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCCOc1ccc(C(C)C)c(C)c1 ZINC000013038138 556443805 /nfs/dbraw/zinc/44/38/05/556443805.db2.gz GKPYZRGMUGBOFP-UHFFFAOYSA-N 0 0 430.907 5.641 50 0 IKAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013038343 556444153 /nfs/dbraw/zinc/44/41/53/556444153.db2.gz QSOBKBBDAPDBDC-SNVBAGLBSA-N 0 0 449.165 5.198 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000013038527 556444449 /nfs/dbraw/zinc/44/44/49/556444449.db2.gz MNOIIAHXFHHBCG-DEOSSOPVSA-N 0 0 428.532 5.526 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1C(C)C ZINC000013038923 556444716 /nfs/dbraw/zinc/44/47/16/556444716.db2.gz JTFKCSCPZBOQRM-UHFFFAOYSA-N 0 0 436.383 5.324 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)c1 ZINC000014789028 556445497 /nfs/dbraw/zinc/44/54/97/556445497.db2.gz LOJBJQRNSBEZDQ-UHFFFAOYSA-N 0 0 444.482 5.745 50 0 IKAARN CCOC(=O)C1CCN(C(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1 ZINC000028200868 556445547 /nfs/dbraw/zinc/44/55/47/556445547.db2.gz FFGORWRAXJZTBM-UHFFFAOYSA-N 0 0 429.582 5.414 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000014793228 556446265 /nfs/dbraw/zinc/44/62/65/556446265.db2.gz FAMBTKOVEPLPGO-UHFFFAOYSA-N 0 0 447.516 5.339 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000013040893 556446881 /nfs/dbraw/zinc/44/68/81/556446881.db2.gz XGZFAPCDLWCIBQ-UHFFFAOYSA-N 0 0 434.517 5.564 50 0 IKAARN Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000013041153 556447105 /nfs/dbraw/zinc/44/71/05/556447105.db2.gz DGLQNVGNGNFEHQ-QGZVFWFLSA-N 0 0 447.387 6.251 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccccc1SCc1cn2ccccc2n1 ZINC000028274380 556447224 /nfs/dbraw/zinc/44/72/24/556447224.db2.gz DHWHUIWBMGQIMD-UHFFFAOYSA-N 0 0 426.545 5.080 50 0 IKAARN Cc1cc(-c2csc(NC(=O)COc3cc(C)ccc3C)n2)c(C)n1C[C@H]1CCCO1 ZINC000013041278 556447498 /nfs/dbraw/zinc/44/74/98/556447498.db2.gz SWSLDAHDGWNMMT-LJQANCHMSA-N 0 0 439.581 5.042 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000013041269 556447525 /nfs/dbraw/zinc/44/75/25/556447525.db2.gz GFMAWGNWMPGISN-UHFFFAOYSA-N 0 0 448.394 5.230 50 0 IKAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028286850 556447664 /nfs/dbraw/zinc/44/76/64/556447664.db2.gz SBWOYIDHOVCYGA-NRFANRHFSA-N 0 0 444.362 5.605 50 0 IKAARN COc1cccc(CCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1OC ZINC000013041553 556447830 /nfs/dbraw/zinc/44/78/30/556447830.db2.gz JIVPZTHNDPESQL-UHFFFAOYSA-N 0 0 436.577 5.205 50 0 IKAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1SCc1ccccc1F ZINC000013041552 556447885 /nfs/dbraw/zinc/44/78/85/556447885.db2.gz PQNQKZGAFULCKA-UHFFFAOYSA-N 0 0 438.915 5.604 50 0 IKAARN COc1cc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc(OC)c1OC ZINC000028287632 556447924 /nfs/dbraw/zinc/44/79/24/556447924.db2.gz LDRLJWGGJMUUIO-UHFFFAOYSA-N 0 0 446.503 5.317 50 0 IKAARN COc1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1OC ZINC000028287949 556447962 /nfs/dbraw/zinc/44/79/62/556447962.db2.gz WEQLDGZEIIWXHP-UHFFFAOYSA-N 0 0 430.504 5.617 50 0 IKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000028288759 556448463 /nfs/dbraw/zinc/44/84/63/556448463.db2.gz AKMYAKADOLJYMX-SANMLTNESA-N 0 0 448.950 5.765 50 0 IKAARN Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 ZINC000028288634 556448473 /nfs/dbraw/zinc/44/84/73/556448473.db2.gz SGGDEHCXUMXTID-FQEVSTJZSA-N 0 0 438.955 5.020 50 0 IKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2c(C)cccc2C)cc1 ZINC000028288736 556448519 /nfs/dbraw/zinc/44/85/19/556448519.db2.gz KSKWTFYFQYTXOY-AREMUKBSSA-N 0 0 428.532 5.420 50 0 IKAARN CCc1ccc(OCC(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000028288768 556448567 /nfs/dbraw/zinc/44/85/67/556448567.db2.gz UDPMPWNGQZMEBA-HHHXNRCGSA-N 0 0 428.532 5.366 50 0 IKAARN COc1ccccc1OCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000014822031 556448658 /nfs/dbraw/zinc/44/86/58/556448658.db2.gz CVOLAUONYMEKOQ-LJQANCHMSA-N 0 0 434.923 5.157 50 0 IKAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000032868681 556449217 /nfs/dbraw/zinc/44/92/17/556449217.db2.gz KMDNSNIKBBUVBA-UHFFFAOYSA-N 0 0 429.954 5.355 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1sccc1-c1ccccc1 ZINC000013057538 556449200 /nfs/dbraw/zinc/44/92/00/556449200.db2.gz YMHADAJUJUNBJN-UHFFFAOYSA-N 0 0 437.952 6.169 50 0 IKAARN CN(Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)Cc1ccccc1Cl ZINC000013058045 556449465 /nfs/dbraw/zinc/44/94/65/556449465.db2.gz TZDHPIJUAGAXPJ-UHFFFAOYSA-N 0 0 430.360 5.590 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000013057750 556449550 /nfs/dbraw/zinc/44/95/50/556449550.db2.gz CAPNGEUGVDXCOF-UHFFFAOYSA-N 0 0 434.970 5.312 50 0 IKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Oc3cc(C)ccc3C(C)C)n2)c1 ZINC000028290488 556449801 /nfs/dbraw/zinc/44/98/01/556449801.db2.gz KMVAPUQQAQEUIN-UHFFFAOYSA-N 0 0 426.969 6.382 50 0 IKAARN Cc1cc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000013058235 556449856 /nfs/dbraw/zinc/44/98/56/556449856.db2.gz RZWSEOWCVUWWNK-IBGZPJMESA-N 0 0 439.581 5.042 50 0 IKAARN O=C(COc1ccc(Br)cc1)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028291453 556450093 /nfs/dbraw/zinc/45/00/93/556450093.db2.gz IMTQQRVBVWHUIW-UHFFFAOYSA-N 0 0 449.707 5.249 50 0 IKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc2ccccc2s1 ZINC000013059317 556450159 /nfs/dbraw/zinc/45/01/59/556450159.db2.gz GSDLHXKYUHNMGM-UHFFFAOYSA-N 0 0 442.484 5.071 50 0 IKAARN COc1cc(CN(C(=O)c2oc3ccc(C)cc3c2C)c2ccccn2)cc(OC)c1OC ZINC000028292610 556450773 /nfs/dbraw/zinc/45/07/73/556450773.db2.gz XRIFMWBGIGXZOG-UHFFFAOYSA-N 0 0 446.503 5.317 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)cc1 ZINC000028293323 556451111 /nfs/dbraw/zinc/45/11/11/556451111.db2.gz ULCNYXUCBJHVLD-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000028296620 556451234 /nfs/dbraw/zinc/45/12/34/556451234.db2.gz WOJZNKVQDJNJIF-XMMPIXPASA-N 0 0 426.560 6.089 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 ZINC000013063069 556451727 /nfs/dbraw/zinc/45/17/27/556451727.db2.gz NNHXJRBLUOTSAV-NRFANRHFSA-N 0 0 425.532 5.334 50 0 IKAARN COc1ccc(-c2csc3nc(C)nc(Oc4cc(C)ccc4Cl)c23)cc1OC ZINC000013063295 556451740 /nfs/dbraw/zinc/45/17/40/556451740.db2.gz ACXJGMQUCFDGAE-UHFFFAOYSA-N 0 0 426.925 6.438 50 0 IKAARN COc1ccc2c(C)cc3nn(CN4CCC(Cc5ccccc5)CC4)c(=S)n3c2c1 ZINC000013063523 556451975 /nfs/dbraw/zinc/45/19/75/556451975.db2.gz VEZRWKZVCFHDQU-UHFFFAOYSA-N 0 0 432.593 5.248 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc(Cl)c1OC(C)C ZINC000013063605 556452286 /nfs/dbraw/zinc/45/22/86/556452286.db2.gz FGIBSFPAIOFGEO-PXNMLYILSA-N 0 0 437.826 5.082 50 0 IKAARN S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000013070328 556453270 /nfs/dbraw/zinc/45/32/70/556453270.db2.gz ZVXQURITMIGLDJ-OAHLLOKOSA-N 0 0 438.534 5.006 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1 ZINC000028402936 556453343 /nfs/dbraw/zinc/45/33/43/556453343.db2.gz XZOCZIWMLHSJND-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN Cc1cccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)c1 ZINC000028402996 556453389 /nfs/dbraw/zinc/45/33/89/556453389.db2.gz GYBSAXRICIVDSN-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN C[C@@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCCCC1 ZINC000014880459 556453473 /nfs/dbraw/zinc/45/34/73/556453473.db2.gz IXYZQFCWJBHZIS-FQEVSTJZSA-N 0 0 449.620 5.394 50 0 IKAARN CN(Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S ZINC000013071630 556453716 /nfs/dbraw/zinc/45/37/16/556453716.db2.gz NSZHYDDFXZHETD-UHFFFAOYSA-N 0 0 434.996 5.872 50 0 IKAARN CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)n(C3CCCCC3)c2=S)CC1 ZINC000013071523 556453754 /nfs/dbraw/zinc/45/37/54/556453754.db2.gz VQIWMDKBLZJXFJ-UHFFFAOYSA-N 0 0 439.456 6.582 50 0 IKAARN Cc1ccccc1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000028403487 556453823 /nfs/dbraw/zinc/45/38/23/556453823.db2.gz KLHSDWYQCASGHQ-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN COc1ccccc1-c1nn(CN2CCC(C)CC2)c(=S)n1-c1ccc(Cl)cc1 ZINC000013071997 556453878 /nfs/dbraw/zinc/45/38/78/556453878.db2.gz XEXIBGRBHDUBJK-UHFFFAOYSA-N 0 0 428.989 5.422 50 0 IKAARN COc1ccc(CN(C)Cn2nc(COc3ccccc3)n(CCC(C)C)c2=S)cc1 ZINC000013072631 556453990 /nfs/dbraw/zinc/45/39/90/556453990.db2.gz YRUGNUGLVPVLDO-UHFFFAOYSA-N 0 0 440.613 5.137 50 0 IKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000013073037 556454432 /nfs/dbraw/zinc/45/44/32/556454432.db2.gz INPMIDJNIJYJAT-UHFFFAOYSA-N 0 0 438.575 5.348 50 0 IKAARN C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000028422529 556454431 /nfs/dbraw/zinc/45/44/31/556454431.db2.gz KFPAMNVDHNXTCL-ZDUSSCGKSA-N 0 0 433.360 5.823 50 0 IKAARN CC1CCN(C(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC000013073082 556454463 /nfs/dbraw/zinc/45/44/63/556454463.db2.gz PBUZUIPOZZAWRE-UHFFFAOYSA-N 0 0 440.590 5.004 50 0 IKAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 ZINC000013074863 556455311 /nfs/dbraw/zinc/45/53/11/556455311.db2.gz ROWZKWCVODONIE-UHFFFAOYSA-N 0 0 427.504 5.334 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 ZINC000032958472 556455360 /nfs/dbraw/zinc/45/53/60/556455360.db2.gz RHHZBSZJUIMTPO-UHFFFAOYSA-N 0 0 434.952 5.692 50 0 IKAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)nc2c1 ZINC000013076278 556455983 /nfs/dbraw/zinc/45/59/83/556455983.db2.gz RCBNMAPXMJAXQV-LLVKDONJSA-N 0 0 430.505 5.392 50 0 IKAARN Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C(=O)c1cccs1 ZINC000028535361 556456325 /nfs/dbraw/zinc/45/63/25/556456325.db2.gz UTWJNTRGXZEXMJ-UHFFFAOYSA-N 0 0 429.423 5.245 50 0 IKAARN CCCC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(F)cc1 ZINC000032958519 556456722 /nfs/dbraw/zinc/45/67/22/556456722.db2.gz XEBBELIZYKFIJZ-UHFFFAOYSA-N 0 0 449.349 5.118 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cc2)cc1 ZINC000028580916 556456726 /nfs/dbraw/zinc/45/67/26/556456726.db2.gz ASDCPPCKYXSXSA-UHFFFAOYSA-N 0 0 427.460 5.163 50 0 IKAARN O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1-c1ccccc1 ZINC000014902425 556457000 /nfs/dbraw/zinc/45/70/00/556457000.db2.gz UDAPNEVXOJGJFS-UHFFFAOYSA-N 0 0 434.471 5.423 50 0 IKAARN CN(CC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(=O)c1cccs1 ZINC000072276903 556457093 /nfs/dbraw/zinc/45/70/93/556457093.db2.gz RZZAVCIFPWIPBR-UHFFFAOYSA-N 0 0 433.558 5.249 50 0 IKAARN c1coc(Cn2c(SCc3csc(-c4ccccc4)n3)nnc2-c2ccccc2)c1 ZINC000013096983 556457609 /nfs/dbraw/zinc/45/76/09/556457609.db2.gz NNTSDITWMCCGCP-UHFFFAOYSA-N 0 0 430.558 6.002 50 0 IKAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCN(Cc4cccs4)CC3)o2)cc1 ZINC000028631855 556457811 /nfs/dbraw/zinc/45/78/11/556457811.db2.gz KQYPOZKKGOIZJA-UHFFFAOYSA-N 0 0 438.593 5.176 50 0 IKAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000013097313 556457851 /nfs/dbraw/zinc/45/78/51/556457851.db2.gz MBGNGAVGRWBXPC-UHFFFAOYSA-N 0 0 447.844 5.220 50 0 IKAARN O=c1nc(SCc2c(F)c(F)c(F)c(F)c2F)[nH]c2scc(-c3ccccc3)c21 ZINC000013097297 556457904 /nfs/dbraw/zinc/45/79/04/556457904.db2.gz YYRFMGNZLKOQKN-UHFFFAOYSA-N 0 0 440.418 5.639 50 0 IKAARN Fc1ccc([C@@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013097500 556458203 /nfs/dbraw/zinc/45/82/03/556458203.db2.gz ZEFVFMBSLPLAHJ-SANMLTNESA-N 0 0 432.502 6.937 50 0 IKAARN Cn1c(CSc2nc3ccccc3s2)nn(CN2CC[C@@H]3CCCC[C@@H]3C2)c1=S ZINC000013097676 556458568 /nfs/dbraw/zinc/45/85/68/556458568.db2.gz KEKJUJKNCITDAD-JKSUJKDBSA-N 0 0 445.683 5.323 50 0 IKAARN O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000013097984 556458794 /nfs/dbraw/zinc/45/87/94/556458794.db2.gz XSVUTCULWFWJEI-UHFFFAOYSA-N 0 0 441.962 5.513 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2Cl)c(OC)c1 ZINC000014920124 556458751 /nfs/dbraw/zinc/45/87/51/556458751.db2.gz WUJPDBMVVWFIGG-JOCHJYFZSA-N 0 0 427.331 6.366 50 0 IKAARN C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)Nc1ccc(N(C)C)cc1 ZINC000013098459 556459253 /nfs/dbraw/zinc/45/92/53/556459253.db2.gz DGQLHCVQSJKUMT-OAHLLOKOSA-N 0 0 434.590 5.544 50 0 IKAARN CCc1cccc2c(C(=O)COC(=O)c3ccccc3Nc3cccc(C)c3C)c[nH]c21 ZINC000013098843 556459480 /nfs/dbraw/zinc/45/94/80/556459480.db2.gz MNGWZVWIPCKNIF-UHFFFAOYSA-N 0 0 426.516 6.130 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000028730195 556459852 /nfs/dbraw/zinc/45/98/52/556459852.db2.gz LDLAOQXRJXNNRM-UHFFFAOYSA-N 0 0 439.922 5.023 50 0 IKAARN COc1ccc(-c2nc(CN(C)Cc3cccc(-n4cccn4)c3)c(C)o2)c2ccccc12 ZINC000014949612 556460294 /nfs/dbraw/zinc/46/02/94/556460294.db2.gz GPDJLHUDSOWEEK-UHFFFAOYSA-N 0 0 438.531 5.630 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc(Cl)s1 ZINC000013108148 556461772 /nfs/dbraw/zinc/46/17/72/556461772.db2.gz JZKOUZJIKXKBOL-UHFFFAOYSA-N 0 0 438.043 6.126 50 0 IKAARN CC(=O)c1cccc(NC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c1 ZINC000014955149 556462040 /nfs/dbraw/zinc/46/20/40/556462040.db2.gz UWEFOLKNPGCCED-NRFANRHFSA-N 0 0 426.516 5.268 50 0 IKAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000013109257 556462585 /nfs/dbraw/zinc/46/25/85/556462585.db2.gz RBBMSNNMEVWFSR-UHFFFAOYSA-N 0 0 448.617 6.017 50 0 IKAARN CC(C)[C@H](C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1 ZINC000013109326 556462627 /nfs/dbraw/zinc/46/26/27/556462627.db2.gz UAVMQBXWMNWHHP-FQEVSTJZSA-N 0 0 428.941 5.613 50 0 IKAARN O=C(c1csc(C(F)(F)F)n1)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000576257270 556462779 /nfs/dbraw/zinc/46/27/79/556462779.db2.gz VSFWLQLVZDLXLH-UHFFFAOYSA-N 0 0 429.876 5.137 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 ZINC000013109414 556462949 /nfs/dbraw/zinc/46/29/49/556462949.db2.gz LOKIQSBYRQELKJ-SIBVEZHUSA-N 0 0 442.559 5.887 50 0 IKAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000013109692 556463267 /nfs/dbraw/zinc/46/32/67/556463267.db2.gz PRCXBUHNKLLJOH-HXUWFJFHSA-N 0 0 440.591 6.106 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Sc2nnc(NC3CC3)s2)c2ccccc2)cc1Cl ZINC000013109656 556463344 /nfs/dbraw/zinc/46/33/44/556463344.db2.gz SLHGOAGSUWIIFA-KRWDZBQOSA-N 0 0 446.985 5.247 50 0 IKAARN COc1ccc(-c2nc(CSc3nc(C)c(C)n3C3CCCC3)cs2)cc1OC ZINC000013109900 556463599 /nfs/dbraw/zinc/46/35/99/556463599.db2.gz CRTFXPUWOILGML-UHFFFAOYSA-N 0 0 429.611 6.048 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)c1cccs1 ZINC000013110026 556463967 /nfs/dbraw/zinc/46/39/67/556463967.db2.gz WRLYRQOHDJYDQD-UHFFFAOYSA-N 0 0 447.585 5.630 50 0 IKAARN CC(=O)N(c1nc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1)c1ccccc1 ZINC000028923018 556464138 /nfs/dbraw/zinc/46/41/38/556464138.db2.gz KWCBWMCCOGTLMX-DEOSSOPVSA-N 0 0 437.528 5.817 50 0 IKAARN Cc1ccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)s1 ZINC000014962640 556464485 /nfs/dbraw/zinc/46/44/85/556464485.db2.gz FRQQFBDRLNPKLF-FQEVSTJZSA-N 0 0 442.654 5.060 50 0 IKAARN COCCCN(Cc1cc2ccc(SC)cc2nc1N(C)C)C(=O)c1ccc(C)cc1 ZINC000014963171 556464541 /nfs/dbraw/zinc/46/45/41/556464541.db2.gz CFJLDIFMWSHULB-UHFFFAOYSA-N 0 0 437.609 5.010 50 0 IKAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000032959121 556465238 /nfs/dbraw/zinc/46/52/38/556465238.db2.gz FMUIOYLVEFCAMP-UHFFFAOYSA-N 0 0 431.923 5.683 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000013112648 556465479 /nfs/dbraw/zinc/46/54/79/556465479.db2.gz HLPJGJIMDREFFS-UHFFFAOYSA-N 0 0 427.529 5.338 50 0 IKAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1oc2ccccc2c1COc1ccccc1 ZINC000013112850 556465932 /nfs/dbraw/zinc/46/59/32/556465932.db2.gz SJQSLCMHPCHDPA-QFIPXVFZSA-N 0 0 430.504 5.172 50 0 IKAARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013113048 556466115 /nfs/dbraw/zinc/46/61/15/556466115.db2.gz REQNZIJYUJRAOS-SNVBAGLBSA-N 0 0 426.851 5.263 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3NC(=O)c3ccccc3)s2)cs1 ZINC000013114268 556466439 /nfs/dbraw/zinc/46/64/39/556466439.db2.gz BEZNOICNGGMCFN-UHFFFAOYSA-N 0 0 433.558 5.362 50 0 IKAARN COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1)c1nc2ccc(C)cc2s1 ZINC000013114286 556466544 /nfs/dbraw/zinc/46/65/44/556466544.db2.gz ZLJOAHXJOWXSKT-UHFFFAOYSA-N 0 0 444.556 5.592 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013114510 556466804 /nfs/dbraw/zinc/46/68/04/556466804.db2.gz ZQYKLENGNPYRAR-AOMKIAJQSA-N 0 0 442.540 5.584 50 0 IKAARN CCCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 ZINC000013114628 556467037 /nfs/dbraw/zinc/46/70/37/556467037.db2.gz KEVHRIMPBZRFQK-GOSISDBHSA-N 0 0 443.576 5.536 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)c2oc1-c1ccccc1 ZINC000029113092 556467450 /nfs/dbraw/zinc/46/74/50/556467450.db2.gz ONINZBGQQHYVDD-QHCPKHFHSA-N 0 0 443.474 5.121 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CSc3ncnc4sccc43)[C@H](c3ccco3)C2)cc1 ZINC000013115459 556467905 /nfs/dbraw/zinc/46/79/05/556467905.db2.gz UKZASEYOPGPZGD-SFHVURJKSA-N 0 0 434.546 5.063 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nnc2-c2cccc(C)c2)cc1 ZINC000013115119 556467912 /nfs/dbraw/zinc/46/79/12/556467912.db2.gz HETQMBVQRWOFBR-UHFFFAOYSA-N 0 0 449.532 5.313 50 0 IKAARN COC(=O)[C@@H](C)Sc1nnc(Cc2cccc3ccccc32)n1-c1ccc(C)cc1C ZINC000013115872 556468298 /nfs/dbraw/zinc/46/82/98/556468298.db2.gz JOSHFAKVFNFIGX-GOSISDBHSA-N 0 0 431.561 5.282 50 0 IKAARN COc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3sccc32)cs1 ZINC000013115729 556468327 /nfs/dbraw/zinc/46/83/27/556468327.db2.gz OYGLEOCYCHKWAW-UHFFFAOYSA-N 0 0 428.564 5.133 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1C1CCCCC1 ZINC000013116109 556468524 /nfs/dbraw/zinc/46/85/24/556468524.db2.gz QTSNMQBSWVUXFO-UHFFFAOYSA-N 0 0 442.585 5.254 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000013116918 556468973 /nfs/dbraw/zinc/46/89/73/556468973.db2.gz XWZBTPMWSAPXAW-AREMUKBSSA-N 0 0 431.539 5.795 50 0 IKAARN CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccoc1C ZINC000013116897 556468981 /nfs/dbraw/zinc/46/89/81/556468981.db2.gz RCXLMSSNBKQHCA-OAQYLSRUSA-N 0 0 432.549 5.647 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000013116917 556468985 /nfs/dbraw/zinc/46/89/85/556468985.db2.gz XWZBTPMWSAPXAW-SANMLTNESA-N 0 0 431.539 5.795 50 0 IKAARN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(Cc1ccccc1F)C2 ZINC000014976408 556469002 /nfs/dbraw/zinc/46/90/02/556469002.db2.gz SROZKRYMYBWVCZ-UHFFFAOYSA-N 0 0 427.903 5.558 50 0 IKAARN COc1ccc2c(c1)nc(SCc1ccc(Cl)cc1Cl)cc2-c1cccnc1 ZINC000013117118 556469103 /nfs/dbraw/zinc/46/91/03/556469103.db2.gz KVYUNYBBLWXFJE-UHFFFAOYSA-N 0 0 427.356 6.905 50 0 IKAARN Cc1noc(C)c1CC(=O)N(Cc1cccc(OCCc2cccs2)c1)C1CCCC1 ZINC000014977929 556469593 /nfs/dbraw/zinc/46/95/93/556469593.db2.gz NPQLGPCJTSQHBR-UHFFFAOYSA-N 0 0 438.593 5.488 50 0 IKAARN Cc1cc(-c2nnc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)c(C)o1 ZINC000013117233 556469575 /nfs/dbraw/zinc/46/95/75/556469575.db2.gz NTAVMUAUIYEDSP-SNVBAGLBSA-N 0 0 428.539 5.475 50 0 IKAARN Cc1ccc2c(COC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)cc(=O)oc2c1 ZINC000011043062 556470037 /nfs/dbraw/zinc/47/00/37/556470037.db2.gz XOLXARAKYNRSGQ-UHFFFAOYSA-N 0 0 443.459 5.044 50 0 IKAARN Cc1nnc(SCc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)n1C1CCCCC1 ZINC000013117516 556470122 /nfs/dbraw/zinc/47/01/22/556470122.db2.gz ZEIGOZYKEMIECY-UHFFFAOYSA-N 0 0 437.594 5.349 50 0 IKAARN Brc1cc2c(cc1CSc1nnc(-c3c[nH]c4ccccc43)o1)OCCO2 ZINC000013117475 556470146 /nfs/dbraw/zinc/47/01/46/556470146.db2.gz FDYHARMJRSJQNW-UHFFFAOYSA-N 0 0 444.310 5.044 50 0 IKAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000013117832 556470791 /nfs/dbraw/zinc/47/07/91/556470791.db2.gz IKAJIZCARBXWGJ-UHFFFAOYSA-N 0 0 437.547 5.567 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)no2)cc1 ZINC000029257658 556470948 /nfs/dbraw/zinc/47/09/48/556470948.db2.gz TUMLHMKYSBQJFH-UHFFFAOYSA-N 0 0 449.923 5.582 50 0 IKAARN C[C@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)c1ccc2c(c1)CCC2 ZINC000013118000 556471023 /nfs/dbraw/zinc/47/10/23/556471023.db2.gz QCPZQMSSLJTXMT-LBPRGKRZSA-N 0 0 428.355 5.086 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000013118104 556471463 /nfs/dbraw/zinc/47/14/63/556471463.db2.gz HLENGOXMRCTWPN-MRXNPFEDSA-N 0 0 435.549 5.242 50 0 IKAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000029278732 556471591 /nfs/dbraw/zinc/47/15/91/556471591.db2.gz BIAWLABCEXKRKU-UHFFFAOYSA-N 0 0 439.493 5.138 50 0 IKAARN CC(=O)N(c1nc(Cn2c3ccccc3nc2C(F)(F)F)cs1)c1cccc(C)c1 ZINC000029300534 556471975 /nfs/dbraw/zinc/47/19/75/556471975.db2.gz KZPCXWKIMMQJPH-UHFFFAOYSA-N 0 0 430.455 5.553 50 0 IKAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000029327981 556472524 /nfs/dbraw/zinc/47/25/24/556472524.db2.gz HVCWFQKQMHJPTQ-UHFFFAOYSA-N 0 0 427.533 5.004 50 0 IKAARN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000014985718 556472654 /nfs/dbraw/zinc/47/26/54/556472654.db2.gz AFASECDMYGMMLO-QGZVFWFLSA-N 0 0 430.980 5.280 50 0 IKAARN Cc1ccn(CCC(=O)N(Cc2cc3ccc(C)cc3nc2-c2cccs2)C2CC2)n1 ZINC000014985834 556472722 /nfs/dbraw/zinc/47/27/22/556472722.db2.gz JZFOAZXGLWMRRI-UHFFFAOYSA-N 0 0 430.577 5.358 50 0 IKAARN Fc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@@H]2CCCO2)cc1 ZINC000013120821 556472891 /nfs/dbraw/zinc/47/28/91/556472891.db2.gz IGNCSWWWBXTLIR-FQEVSTJZSA-N 0 0 436.512 5.211 50 0 IKAARN Fc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@H]2CCCO2)cc1 ZINC000013120822 556472971 /nfs/dbraw/zinc/47/29/71/556472971.db2.gz IGNCSWWWBXTLIR-HXUWFJFHSA-N 0 0 436.512 5.211 50 0 IKAARN Clc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@@H]2CCCO2)cc1 ZINC000013121041 556473525 /nfs/dbraw/zinc/47/35/25/556473525.db2.gz NWAMNOYFXSQECJ-KRWDZBQOSA-N 0 0 442.928 5.318 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N[C@H]1CCCc2ccccc21 ZINC000013121460 556474154 /nfs/dbraw/zinc/47/41/54/556474154.db2.gz OHGBRUDWCXSABY-FQEVSTJZSA-N 0 0 436.581 5.329 50 0 IKAARN CCc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c2cccs2)cc1 ZINC000029429430 556475036 /nfs/dbraw/zinc/47/50/36/556475036.db2.gz WDPQPEZKAOCENX-KNQAVFIVSA-N 0 0 438.618 5.130 50 0 IKAARN CCN(CC)[C@H](C(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(C(F)(F)F)c1 ZINC000072284642 556475458 /nfs/dbraw/zinc/47/54/58/556475458.db2.gz OHJZWSHFYHCFIX-FQEVSTJZSA-N 0 0 430.474 5.128 50 0 IKAARN CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000013127007 556475463 /nfs/dbraw/zinc/47/54/63/556475463.db2.gz NNHYSSVJYGBLAH-OPAMFIHVSA-N 0 0 444.560 5.285 50 0 IKAARN C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(c2ccccc2O)CC1 ZINC000029450002 556475678 /nfs/dbraw/zinc/47/56/78/556475678.db2.gz HXMNWZQIADNDPO-LJQANCHMSA-N 0 0 446.982 5.327 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000029479299 556476467 /nfs/dbraw/zinc/47/64/67/556476467.db2.gz DPTKYFCXXCQZBD-QGZVFWFLSA-N 0 0 426.563 5.319 50 0 IKAARN COc1ccc(CCNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1OC ZINC000029506907 556476950 /nfs/dbraw/zinc/47/69/50/556476950.db2.gz YMAVWNMHMYLZIZ-UHFFFAOYSA-N 0 0 434.517 5.060 50 0 IKAARN O=C(CSc1nnc(NCc2ccco2)s1)N(c1ccccc1)C1CCCCC1 ZINC000013128128 556477109 /nfs/dbraw/zinc/47/71/09/556477109.db2.gz SABOHSRZHHQJPW-UHFFFAOYSA-N 0 0 428.583 5.201 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000013128224 556477436 /nfs/dbraw/zinc/47/74/36/556477436.db2.gz WVOKHHPIBMUOEM-UHFFFAOYSA-N 0 0 442.972 5.155 50 0 IKAARN COc1ccccc1-c1noc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)n1 ZINC000013128570 556477787 /nfs/dbraw/zinc/47/77/87/556477787.db2.gz VQGXVGDECSHPGY-GFCCVEGCSA-N 0 0 440.550 5.274 50 0 IKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1cccs1 ZINC000013128635 556478108 /nfs/dbraw/zinc/47/81/08/556478108.db2.gz ZOYMZNOFKBLQOQ-JOCHJYFZSA-N 0 0 426.545 5.689 50 0 IKAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000029597400 556478164 /nfs/dbraw/zinc/47/81/64/556478164.db2.gz CEJUIHGKNUMUIJ-UHFFFAOYSA-N 0 0 429.501 5.449 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013128848 556478484 /nfs/dbraw/zinc/47/84/84/556478484.db2.gz ARYIUILBXFTULM-UHFFFAOYSA-N 0 0 446.942 5.071 50 0 IKAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000029603869 556478744 /nfs/dbraw/zinc/47/87/44/556478744.db2.gz OXLSCVFEWYFACZ-UHFFFAOYSA-N 0 0 441.462 5.292 50 0 IKAARN CCN(C(=O)COC(=O)c1cc2nc(Nc3ccccc3)sc2s1)c1ccccc1 ZINC000013129261 556478851 /nfs/dbraw/zinc/47/88/51/556478851.db2.gz UIVSQEVYSFBMOB-UHFFFAOYSA-N 0 0 437.546 5.311 50 0 IKAARN Fc1cc(Cn2c3ccccc3nc2-c2cscn2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000013129081 556478884 /nfs/dbraw/zinc/47/88/84/556478884.db2.gz LBRFOELLLLIBJA-VWLOTQADSA-N 0 0 443.503 5.955 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013129336 556479185 /nfs/dbraw/zinc/47/91/85/556479185.db2.gz AQNCLFSYPLWCMH-HHHXNRCGSA-N 0 0 433.507 5.984 50 0 IKAARN CCOc1ccc(C(=O)N(c2nc(-c3ccc(C)cc3)cs2)c2ccccc2OC)cc1 ZINC000013129397 556479264 /nfs/dbraw/zinc/47/92/64/556479264.db2.gz UUSLBHOPRORCRJ-UHFFFAOYSA-N 0 0 444.556 6.504 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Oc2ccccc2)cc1 ZINC000013130306 556479765 /nfs/dbraw/zinc/47/97/65/556479765.db2.gz HJBLEEDWGLIXIP-UHFFFAOYSA-N 0 0 437.908 5.913 50 0 IKAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000013130465 556479825 /nfs/dbraw/zinc/47/98/25/556479825.db2.gz OKFOELQQEHPPBG-XMMPIXPASA-N 0 0 441.600 5.662 50 0 IKAARN CCOc1ccccc1CN1CCOc2c(cc(-c3cccc(OC)c3OC)cc2OC)C1 ZINC000015001173 556479888 /nfs/dbraw/zinc/47/98/88/556479888.db2.gz XFXQYSJGSLZGFT-UHFFFAOYSA-N 0 0 449.547 5.173 50 0 IKAARN O=C(C1CCC1)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@@H]2CCOC2)C1 ZINC000015001611 556480177 /nfs/dbraw/zinc/48/01/77/556480177.db2.gz YKKWTNHLIWOJSZ-HXUWFJFHSA-N 0 0 449.572 5.257 50 0 IKAARN CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000013131333 556480438 /nfs/dbraw/zinc/48/04/38/556480438.db2.gz YENDWEIANLRIQU-CYBMUJFWSA-N 0 0 425.381 5.101 50 0 IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000013131372 556480486 /nfs/dbraw/zinc/48/04/86/556480486.db2.gz NLNIZDZDXBVRFH-VWLOTQADSA-N 0 0 436.580 6.387 50 0 IKAARN COc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(CCC3=CCCCC3)c2C)cs1 ZINC000013131645 556480668 /nfs/dbraw/zinc/48/06/68/556480668.db2.gz LQBYOWXYIKBNGZ-UHFFFAOYSA-N 0 0 449.620 6.309 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000013131685 556480701 /nfs/dbraw/zinc/48/07/01/556480701.db2.gz QCBMHKGAEGSHMY-UHFFFAOYSA-N 0 0 428.891 5.991 50 0 IKAARN CCOc1ccc2nc(-c3ccc(NC(=S)Nc4ccc(C)c(C)c4)cc3)sc2c1 ZINC000013131544 556480746 /nfs/dbraw/zinc/48/07/46/556480746.db2.gz YJMDZCKLCUPBHN-UHFFFAOYSA-N 0 0 433.602 6.788 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1nc(-c2ccco2)no1 ZINC000029737524 556480852 /nfs/dbraw/zinc/48/08/52/556480852.db2.gz PVAWFNUQLPNGPC-OAHLLOKOSA-N 0 0 447.495 5.629 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1nc(-c2ccco2)no1 ZINC000029737525 556480908 /nfs/dbraw/zinc/48/09/08/556480908.db2.gz PVAWFNUQLPNGPC-HNNXBMFYSA-N 0 0 447.495 5.629 50 0 IKAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(-c4ccco4)no3)nnc2-c2ccccc2F)cc1 ZINC000029738468 556480994 /nfs/dbraw/zinc/48/09/94/556480994.db2.gz FPTZJHRWTBQRTH-HNNXBMFYSA-N 0 0 447.495 5.878 50 0 IKAARN O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1Sc1nc2ccccc2s1)c1ccccc1 ZINC000013133818 556481324 /nfs/dbraw/zinc/48/13/24/556481324.db2.gz VOKYGOZSFFERIH-PZJWPPBQSA-N 0 0 438.599 5.033 50 0 IKAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)c2C1 ZINC000013133770 556481350 /nfs/dbraw/zinc/48/13/50/556481350.db2.gz CYQBCFMVSTUGBR-ZDUSSCGKSA-N 0 0 443.330 5.462 50 0 IKAARN O=S(=O)(N[C@H]1Cc2ccccc2[C@@H]1Sc1nc2ccccc2s1)c1ccccc1 ZINC000013133816 556481375 /nfs/dbraw/zinc/48/13/75/556481375.db2.gz VOKYGOZSFFERIH-FPOVZHCZSA-N 0 0 438.599 5.033 50 0 IKAARN Cc1ccc(-c2nnc(SCCCn3c4ccccc4[nH]c3=O)c3ccccc32)cc1 ZINC000013133843 556481394 /nfs/dbraw/zinc/48/13/94/556481394.db2.gz FKDWVVDYAPSZGO-UHFFFAOYSA-N 0 0 426.545 5.431 50 0 IKAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nc4ccccc4s3)s1)CC2 ZINC000013134009 556481759 /nfs/dbraw/zinc/48/17/59/556481759.db2.gz IJUQSCCWLCRMOW-UHFFFAOYSA-N 0 0 436.558 5.241 50 0 IKAARN CC(C)C(=O)N1CCOc2c(cc(-c3csc4ccccc43)cc2O[C@@H]2CCOC2)C1 ZINC000015008153 556482313 /nfs/dbraw/zinc/48/23/13/556482313.db2.gz KRSANMGBGPTRHF-LJQANCHMSA-N 0 0 437.561 5.113 50 0 IKAARN c1ccc2c(c1)OC[C@@H](c1nnc3n1N=C(c1ccc(C4CCCCC4)cc1)CS3)O2 ZINC000013134301 556482384 /nfs/dbraw/zinc/48/23/84/556482384.db2.gz HPKRVBWFNSOSKY-QFIPXVFZSA-N 0 0 432.549 5.196 50 0 IKAARN COc1ccc2c(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)cc(=O)oc2c1 ZINC000013134579 556482512 /nfs/dbraw/zinc/48/25/12/556482512.db2.gz BRDYRBICIBDNOM-UHFFFAOYSA-N 0 0 448.978 5.724 50 0 IKAARN O=C(CSc1cccc2cccc(Cl)c21)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000013134715 556482541 /nfs/dbraw/zinc/48/25/41/556482541.db2.gz DKYPBTKRYWLOMZ-UHFFFAOYSA-N 0 0 436.989 6.446 50 0 IKAARN Cc1c(C)n(Cc2ccco2)c2ncnc(NC(=O)Cc3c(Cl)cccc3Cl)c12 ZINC000013134684 556482633 /nfs/dbraw/zinc/48/26/33/556482633.db2.gz ZNAGZHQZWRSVAB-UHFFFAOYSA-N 0 0 429.307 5.177 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000013137955 556484679 /nfs/dbraw/zinc/48/46/79/556484679.db2.gz VHHNXMODWABSCX-HHHXNRCGSA-N 0 0 449.510 5.751 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000013137956 556484682 /nfs/dbraw/zinc/48/46/82/556484682.db2.gz VHHNXMODWABSCX-MHZLTWQESA-N 0 0 449.510 5.751 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N(c1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000013137800 556484685 /nfs/dbraw/zinc/48/46/85/556484685.db2.gz QLIZHCIDESLFFB-UHFFFAOYSA-N 0 0 430.495 6.808 50 0 IKAARN COc1cc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000015016305 556485445 /nfs/dbraw/zinc/48/54/45/556485445.db2.gz FJAONGRPFCIEFY-VGOFRKELSA-N 0 0 426.925 5.661 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)cc1 ZINC000072290488 556485851 /nfs/dbraw/zinc/48/58/51/556485851.db2.gz JHTKABRSYLWAJN-UHFFFAOYSA-N 0 0 440.609 5.060 50 0 IKAARN C[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Cl)cc1Cl ZINC000013140872 556486030 /nfs/dbraw/zinc/48/60/30/556486030.db2.gz IIASWWWWCLDJIH-ZDUSSCGKSA-N 0 0 447.391 5.421 50 0 IKAARN Clc1ccc(-c2ccc([C@H]3Oc4ccccc4[C@H]4CC(c5cccs5)=NN43)o2)cc1 ZINC000015016869 556486173 /nfs/dbraw/zinc/48/61/73/556486173.db2.gz KWFMTDGEKLYMFB-NTKDMRAZSA-N 0 0 432.932 6.904 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1OC ZINC000015016764 556486184 /nfs/dbraw/zinc/48/61/84/556486184.db2.gz CKEJMSPMXUACNS-HTAPYJJXSA-N 0 0 426.925 5.661 50 0 IKAARN COc1ccc(Br)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000015016859 556486189 /nfs/dbraw/zinc/48/61/89/556486189.db2.gz YDUWLUHIHQNHKP-GHTZIAJQSA-N 0 0 441.350 5.762 50 0 IKAARN CCOc1cc(/C=C/c2ccc3cccc(OC(=O)CC)c3n2)cc(Cl)c1OCC ZINC000015016683 556486206 /nfs/dbraw/zinc/48/62/06/556486206.db2.gz ZZXKUWLWVHUPJE-ZRDIBKRKSA-N 0 0 425.912 6.171 50 0 IKAARN COc1ccc(Br)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000015016860 556486245 /nfs/dbraw/zinc/48/62/45/556486245.db2.gz YDUWLUHIHQNHKP-NQIIRXRSSA-N 0 0 441.350 5.762 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1OC ZINC000015016763 556486300 /nfs/dbraw/zinc/48/63/00/556486300.db2.gz CKEJMSPMXUACNS-JTSKRJEESA-N 0 0 426.925 5.661 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 ZINC000013141248 556486577 /nfs/dbraw/zinc/48/65/77/556486577.db2.gz PLNBTAJEVAGKON-QGZVFWFLSA-N 0 0 438.572 5.559 50 0 IKAARN CCOc1cc([C@@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000015018060 556486948 /nfs/dbraw/zinc/48/69/48/556486948.db2.gz GKOURZJJUYXPRX-GKCIPKSASA-N 0 0 436.321 5.630 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2cc3ccccc3o2)cc1 ZINC000015018934 556487168 /nfs/dbraw/zinc/48/71/68/556487168.db2.gz OMLDMMYUFWSIEK-UHFFFAOYSA-N 0 0 446.576 5.340 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(C)n1C[C@@H]1CCCO1 ZINC000013145437 556487490 /nfs/dbraw/zinc/48/74/90/556487490.db2.gz GLECJEMZBXEGOZ-QHCPKHFHSA-N 0 0 433.504 5.116 50 0 IKAARN Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cc2ccccc2o1 ZINC000015018986 556487522 /nfs/dbraw/zinc/48/75/22/556487522.db2.gz RWYUQHSLFDWOJC-UHFFFAOYSA-N 0 0 447.545 5.083 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc2ccccc2o1 ZINC000015018956 556487576 /nfs/dbraw/zinc/48/75/76/556487576.db2.gz TXUXFHHLJQVVTM-UHFFFAOYSA-N 0 0 428.517 5.595 50 0 IKAARN Cc1cc(-c2ccccc2)nc(SCc2nnc(-c3ccc(Br)s3)o2)n1 ZINC000029975219 556487650 /nfs/dbraw/zinc/48/76/50/556487650.db2.gz JBSUYQUSMPMFKW-UHFFFAOYSA-N 0 0 445.367 5.618 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nn(C(=O)c3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1 ZINC000015019321 556487848 /nfs/dbraw/zinc/48/78/48/556487848.db2.gz MCVZEVWGSPOJGE-UHFFFAOYSA-N 0 0 445.327 5.173 50 0 IKAARN Cc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c(Br)c1 ZINC000015020694 556488142 /nfs/dbraw/zinc/48/81/42/556488142.db2.gz UTWSSVYCVHPSMT-HNNXBMFYSA-N 0 0 445.382 5.152 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1SC[C@H]1CCCO1 ZINC000030013283 556489274 /nfs/dbraw/zinc/48/92/74/556489274.db2.gz AZLIDYZXWDAKEH-LJQANCHMSA-N 0 0 447.604 5.749 50 0 IKAARN Cc1ccccc1-n1c(SCc2noc(-c3cccs3)n2)nnc1-c1cccnc1 ZINC000030024296 556489577 /nfs/dbraw/zinc/48/95/77/556489577.db2.gz IRAOGEWWTUATJM-UHFFFAOYSA-N 0 0 432.534 5.042 50 0 IKAARN Cc1ccc(Cl)cc1Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000013148443 556490033 /nfs/dbraw/zinc/49/00/33/556490033.db2.gz XJXDRAXJFNOXIZ-UHFFFAOYSA-N 0 0 426.372 7.206 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)c1nnc(-c2ccccc2)o1 ZINC000013148680 556490053 /nfs/dbraw/zinc/49/00/53/556490053.db2.gz AXYZNWWKHQMGPT-LLVKDONJSA-N 0 0 449.483 6.204 50 0 IKAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)N(Cc1ccco1)C1=CCCCC1 ZINC000013148903 556490270 /nfs/dbraw/zinc/49/02/70/556490270.db2.gz SGAIFBWSTJRQMH-UHFFFAOYSA-N 0 0 444.531 5.075 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000013148799 556490309 /nfs/dbraw/zinc/49/03/09/556490309.db2.gz CCPFTNLVQXUUEP-UHFFFAOYSA-N 0 0 433.291 5.044 50 0 IKAARN Cc1cccc2sc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cl)cc3)C4=O)nc21 ZINC000013148959 556490339 /nfs/dbraw/zinc/49/03/39/556490339.db2.gz ADSJBLYREXAZPM-UHFFFAOYSA-N 0 0 447.903 5.311 50 0 IKAARN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2oc(SCc3ccccc3)nc2c1 ZINC000013149007 556490712 /nfs/dbraw/zinc/49/07/12/556490712.db2.gz VWJKJTBHVUIJIH-UHFFFAOYSA-N 0 0 430.938 5.574 50 0 IKAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000030216609 556491632 /nfs/dbraw/zinc/49/16/32/556491632.db2.gz AGMHDYTUOVIEJZ-UHFFFAOYSA-N 0 0 435.449 5.547 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1cccs1 ZINC000013150134 556492029 /nfs/dbraw/zinc/49/20/29/556492029.db2.gz CZWLOJCNFGUWMD-CQSZACIVSA-N 0 0 447.029 5.745 50 0 IKAARN CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)CC2)cc1 ZINC000015064509 556492136 /nfs/dbraw/zinc/49/21/36/556492136.db2.gz HDQHIFRTYTUWLC-UHFFFAOYSA-N 0 0 443.469 5.194 50 0 IKAARN O=S(=O)(NC[C@H](Sc1c(Cl)cccc1Cl)c1ccccc1)c1ccccc1 ZINC000013150426 556492298 /nfs/dbraw/zinc/49/22/98/556492298.db2.gz MIPVCGFNLAYTOB-IBGZPJMESA-N 0 0 438.401 5.805 50 0 IKAARN CC(C)(C)c1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(F)cc1)S2 ZINC000013150366 556492357 /nfs/dbraw/zinc/49/23/57/556492357.db2.gz RFIBXOJAGMSISK-WMZOPIPTSA-N 0 0 430.936 5.010 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)c(C)c1 ZINC000004555122 556493012 /nfs/dbraw/zinc/49/30/12/556493012.db2.gz SPAGEVNQWHVXAP-MUUNZHRXSA-N 0 0 427.544 5.052 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000013163275 556493287 /nfs/dbraw/zinc/49/32/87/556493287.db2.gz GBUXZIKVSPDXKV-HSZRJFAPSA-N 0 0 446.551 5.500 50 0 IKAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000013163408 556493770 /nfs/dbraw/zinc/49/37/70/556493770.db2.gz RKHKNTVYUQHUNN-KRWDZBQOSA-N 0 0 435.574 5.352 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000013163388 556493792 /nfs/dbraw/zinc/49/37/92/556493792.db2.gz RWMRDJOPWQNBNA-UHFFFAOYSA-N 0 0 429.951 5.455 50 0 IKAARN COc1ccc(OC)c(CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)c1 ZINC000015068501 556494163 /nfs/dbraw/zinc/49/41/63/556494163.db2.gz TVJHEOGCBKTXQG-UHFFFAOYSA-N 0 0 448.544 5.081 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cc(F)ccc1F ZINC000013164113 556495733 /nfs/dbraw/zinc/49/57/33/556495733.db2.gz NLXSTKDFYIDQDW-UHFFFAOYSA-N 0 0 435.883 5.099 50 0 IKAARN O=C(c1cccc(Br)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000013164235 556496060 /nfs/dbraw/zinc/49/60/60/556496060.db2.gz NXBJIKUYGULSCQ-UHFFFAOYSA-N 0 0 435.774 5.732 50 0 IKAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000015071941 556496724 /nfs/dbraw/zinc/49/67/24/556496724.db2.gz UQLRJOLGRRYDFE-UHFFFAOYSA-N 0 0 435.877 5.644 50 0 IKAARN CCc1nc(C)c(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)o1 ZINC000015074944 556498411 /nfs/dbraw/zinc/49/84/11/556498411.db2.gz YLNTWJCSICLESN-OAQYLSRUSA-N 0 0 431.536 5.012 50 0 IKAARN CCc1nc(C)c(C(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)o1 ZINC000015074945 556498468 /nfs/dbraw/zinc/49/84/68/556498468.db2.gz YLNTWJCSICLESN-NRFANRHFSA-N 0 0 431.536 5.012 50 0 IKAARN c1oc(-c2ccccc2)nc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000032708114 556500775 /nfs/dbraw/zinc/50/07/75/556500775.db2.gz SKJZWCRCKROVSZ-UHFFFAOYSA-N 0 0 445.592 5.260 50 0 IKAARN COc1cc2c(cc1NC(=O)c1cc(Br)ccc1Cl)oc1ccccc12 ZINC000015081301 556501138 /nfs/dbraw/zinc/50/11/38/556501138.db2.gz MTDLYBBSPCTRAY-UHFFFAOYSA-N 0 0 430.685 6.263 50 0 IKAARN O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1cc2c(s1)-c1ccccc1CC2 ZINC000030667957 556501434 /nfs/dbraw/zinc/50/14/34/556501434.db2.gz CHIIJBPFTZBJNP-UHFFFAOYSA-N 0 0 439.540 5.091 50 0 IKAARN Clc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(Cl)cc2)cc1 ZINC000015082303 556501606 /nfs/dbraw/zinc/50/16/06/556501606.db2.gz KRKKMGADVRXUDY-UHFFFAOYSA-N 0 0 431.120 6.428 50 0 IKAARN O=C(c1ccncc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000013301234 556501713 /nfs/dbraw/zinc/50/17/13/556501713.db2.gz SEHDOBWHDBZZQU-BYFMOXHQSA-N 0 0 429.470 5.797 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)ccc1OCc1ccccc1F ZINC000015084831 556501877 /nfs/dbraw/zinc/50/18/77/556501877.db2.gz WIKHPQUSZRKHJY-SFHVURJKSA-N 0 0 437.536 5.828 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCCC3)cc2)cc1)N1CCCCCC1 ZINC000013303465 556502049 /nfs/dbraw/zinc/50/20/49/556502049.db2.gz AVOPSIAVEGOBFT-UHFFFAOYSA-N 0 0 448.611 6.093 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000013350066 556502775 /nfs/dbraw/zinc/50/27/75/556502775.db2.gz BVQZBWKNTDJWJH-UHFFFAOYSA-N 0 0 443.572 6.579 50 0 IKAARN CCc1ccc(NC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000013365546 556503025 /nfs/dbraw/zinc/50/30/25/556503025.db2.gz QRNMYVVVMLJWMM-NRFANRHFSA-N 0 0 432.911 5.864 50 0 IKAARN COc1ccc(Cl)cc1N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000013364345 556503040 /nfs/dbraw/zinc/50/30/40/556503040.db2.gz LLMZMHIUAINDIW-FQEVSTJZSA-N 0 0 426.303 6.254 50 0 IKAARN COc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000013364530 556503081 /nfs/dbraw/zinc/50/30/81/556503081.db2.gz SYYRCZAMNQXHAN-FQEVSTJZSA-N 0 0 427.838 5.878 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCC(=O)c1ccc(Br)cc1 ZINC000015094292 556503091 /nfs/dbraw/zinc/50/30/91/556503091.db2.gz HXGMUVNPRRIFGT-ZDUSSCGKSA-N 0 0 431.355 5.241 50 0 IKAARN Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000013370217 556503441 /nfs/dbraw/zinc/50/34/41/556503441.db2.gz XHJKCFCQQCIQSY-RCCKNPSSSA-N 0 0 435.321 5.167 50 0 IKAARN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccc(F)cc1 ZINC000013371254 556503448 /nfs/dbraw/zinc/50/34/48/556503448.db2.gz GKHUFKBPXGXQJG-UHFFFAOYSA-N 0 0 430.501 5.180 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000015106617 556503848 /nfs/dbraw/zinc/50/38/48/556503848.db2.gz LHYFJQSZNOPYPQ-INIZCTEOSA-N 0 0 448.441 5.941 50 0 IKAARN COc1cccc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)c1 ZINC000015106742 556504188 /nfs/dbraw/zinc/50/41/88/556504188.db2.gz FFUSEZXTRUETLF-QGZVFWFLSA-N 0 0 426.925 5.445 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015106784 556504219 /nfs/dbraw/zinc/50/42/19/556504219.db2.gz JICHAFKSBBFJOC-OAHLLOKOSA-N 0 0 440.908 5.165 50 0 IKAARN CN(c1ccccc1)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCOc2ccccc2)cc1 ZINC000015108804 556504588 /nfs/dbraw/zinc/50/45/88/556504588.db2.gz TUURELSYQGTWMG-NDEPHWFRSA-N 0 0 449.554 6.100 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1nc2ccccc2n1C(F)F ZINC000032879654 556505216 /nfs/dbraw/zinc/50/52/16/556505216.db2.gz YUPURHSSFNSPMC-OAHLLOKOSA-N 0 0 448.498 5.984 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccc2ccccc21 ZINC000013425245 556505603 /nfs/dbraw/zinc/50/56/03/556505603.db2.gz FSNCWSHFIGNFFE-UHFFFAOYSA-N 0 0 439.462 6.046 50 0 IKAARN Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](C)CCc3ccccc3)c(=O)oc1c2C ZINC000030819194 556506413 /nfs/dbraw/zinc/50/64/13/556506413.db2.gz IJZNCJTYXUGPGO-QGZVFWFLSA-N 0 0 431.532 5.535 50 0 IKAARN Cn1c2ccccc2nc1SCc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000030835933 556507173 /nfs/dbraw/zinc/50/71/73/556507173.db2.gz JTZGPCXYNKWDHF-UHFFFAOYSA-N 0 0 432.936 5.218 50 0 IKAARN COc1ccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C(F)(F)F)cc3)oc2c1 ZINC000004422346 556508540 /nfs/dbraw/zinc/50/85/40/556508540.db2.gz RTNKQZOHOJCJGR-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN CC(=O)N[C@H](CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)c1cccs1 ZINC000032882505 556509085 /nfs/dbraw/zinc/50/90/85/556509085.db2.gz FGBTYLDZHDCCSA-JOCHJYFZSA-N 0 0 444.560 5.115 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)s1 ZINC000013510645 556510307 /nfs/dbraw/zinc/51/03/07/556510307.db2.gz CZAHJPZRCSZXAX-JKPXSAOISA-N 0 0 431.399 6.269 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000030857265 556510412 /nfs/dbraw/zinc/51/04/12/556510412.db2.gz LRBOPDAWSINVEH-LBPRGKRZSA-N 0 0 437.999 5.220 50 0 IKAARN COc1cc(Cl)cc(Cl)c1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013512848 556510876 /nfs/dbraw/zinc/51/08/76/556510876.db2.gz NMMVKCAXDYRXFC-XXBNENTESA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013513987 556511140 /nfs/dbraw/zinc/51/11/40/556511140.db2.gz FPXPCILUEYYFDG-WIYYLYMNSA-N 0 0 425.351 6.061 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000013514402 556511427 /nfs/dbraw/zinc/51/14/27/556511427.db2.gz MVMDECIMXWXGAN-KSSFIOAISA-N 0 0 448.589 5.029 50 0 IKAARN O=C(c1ccccc1)[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000015224458 556512139 /nfs/dbraw/zinc/51/21/39/556512139.db2.gz SGTFEGFRXLHQGV-DYESRHJHSA-N 0 0 439.334 5.263 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000004427021 556512284 /nfs/dbraw/zinc/51/22/84/556512284.db2.gz UTBFDWSHCFKBAQ-UHFFFAOYSA-N 0 0 440.465 6.508 50 0 IKAARN COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000015227328 556512476 /nfs/dbraw/zinc/51/24/76/556512476.db2.gz YYVKVFVTWZCTOS-RCZVLFRGSA-N 0 0 448.906 5.110 50 0 IKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000015227331 556512481 /nfs/dbraw/zinc/51/24/81/556512481.db2.gz VJQZMZWKSRRFAV-UHFFFAOYSA-N 0 0 442.462 5.705 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)cc1Br ZINC000013534417 556513259 /nfs/dbraw/zinc/51/32/59/556513259.db2.gz ONJMRYHJSXTVRO-UHFFFAOYSA-N 0 0 439.740 6.835 50 0 IKAARN O=C(Oc1ccc(Cl)cc1)c1ccc(CSc2ccc(C3CCCCC3)cc2)cc1 ZINC000004427733 556513324 /nfs/dbraw/zinc/51/33/24/556513324.db2.gz IYFXWWFKUNIDCU-UHFFFAOYSA-N 0 0 437.004 7.899 50 0 IKAARN CCOc1cc(-c2cccs2)c/c(=N\c2ccc(OC)c(OC)c2)c2c(C)oc(C)c21 ZINC000013541719 556513917 /nfs/dbraw/zinc/51/39/17/556513917.db2.gz NYPQWBZWLBWPPU-LGUFXXKBSA-N 0 0 435.545 6.426 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(C)n3-c3ccc(C)cc3)cs2)cc1OC ZINC000015274643 556514033 /nfs/dbraw/zinc/51/40/33/556514033.db2.gz UBRXUAFMAGPETH-UHFFFAOYSA-N 0 0 438.578 5.317 50 0 IKAARN CC(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 ZINC000013551616 556514813 /nfs/dbraw/zinc/51/48/13/556514813.db2.gz FFHPLVSSUUPTCY-WQRHYEAKSA-N 0 0 431.355 5.678 50 0 IKAARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)S2)cc1 ZINC000013552210 556515275 /nfs/dbraw/zinc/51/52/75/556515275.db2.gz BESASIBNSZSSRJ-HXUWFJFHSA-N 0 0 425.554 5.084 50 0 IKAARN Cc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(C)c4)n2)COC(C)(C)C3)cc1 ZINC000013555813 556516499 /nfs/dbraw/zinc/51/64/99/556516499.db2.gz MXMHDFNMCMCPDE-UHFFFAOYSA-N 0 0 433.577 5.343 50 0 IKAARN COc1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)nc3c2COC(C)(C)C3)c1 ZINC000013557365 556517131 /nfs/dbraw/zinc/51/71/31/556517131.db2.gz GCJUESISNSXODX-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN Clc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1 ZINC000013564326 556518197 /nfs/dbraw/zinc/51/81/97/556518197.db2.gz JMSISQDZSZOGPB-UHFFFAOYSA-N 0 0 444.159 7.480 50 0 IKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000013563518 556518242 /nfs/dbraw/zinc/51/82/42/556518242.db2.gz NULQLHINWUJRAD-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2c(C)cccc2C)n1 ZINC000032891487 556519146 /nfs/dbraw/zinc/51/91/46/556519146.db2.gz BNJGTFDXWGMTRA-QFIPXVFZSA-N 0 0 434.565 5.421 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(F)ccc2Br)c1 ZINC000032891686 556519636 /nfs/dbraw/zinc/51/96/36/556519636.db2.gz KYJYKOJAPBJNKS-UHFFFAOYSA-N 0 0 428.261 5.485 50 0 IKAARN O=C(Nc1nc(-c2cccs2)cs1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000015320789 556520351 /nfs/dbraw/zinc/52/03/51/556520351.db2.gz DAXGEXCMSOELJW-UHFFFAOYSA-N 0 0 425.149 6.133 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2cc1OC ZINC000013568042 556520649 /nfs/dbraw/zinc/52/06/49/556520649.db2.gz CACSSHMOEQWJNY-UHFFFAOYSA-N 0 0 425.444 5.313 50 0 IKAARN Cc1cccc(O[C@H](C)C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C2CC2)c1 ZINC000072295965 556520895 /nfs/dbraw/zinc/52/08/95/556520895.db2.gz AMYXSWIICAPHBV-GOSISDBHSA-N 0 0 443.522 6.200 50 0 IKAARN COc1ccccc1-c1csc(N2N=C(C)C[C@H]2c2cc(OC)c(OC)c(OC)c2)n1 ZINC000013569124 556521255 /nfs/dbraw/zinc/52/12/55/556521255.db2.gz PVXPFHWAVBJDKA-SFHVURJKSA-N 0 0 439.537 5.172 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000032719078 556521586 /nfs/dbraw/zinc/52/15/86/556521586.db2.gz ZWUPSYQQGKDOIQ-UHFFFAOYSA-N 0 0 444.969 5.007 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cs1)c1ccccc1F ZINC000072298247 556521809 /nfs/dbraw/zinc/52/18/09/556521809.db2.gz FGZUURNILPZFHC-FVNWOWOISA-N 0 0 443.466 5.073 50 0 IKAARN COc1ccc2c(c1)[C@@H](N(Cc1nccn1Cc1ccccc1)Cc1ccccc1)CCO2 ZINC000072296469 556521862 /nfs/dbraw/zinc/52/18/62/556521862.db2.gz UZAIVJQTQBLRBO-SANMLTNESA-N 0 0 439.559 5.466 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003109494 556521889 /nfs/dbraw/zinc/52/18/89/556521889.db2.gz SIWGIAABWOJRBK-UHFFFAOYSA-N 0 0 432.770 6.647 50 0 IKAARN COc1ccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)cc1Br ZINC000003107700 556521965 /nfs/dbraw/zinc/52/19/65/556521965.db2.gz YJJIRSFUZSEWCZ-UHFFFAOYSA-N 0 0 437.381 6.100 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(ncn(CCc4ccccc4)c3=O)c21 ZINC000013570615 556521957 /nfs/dbraw/zinc/52/19/57/556521957.db2.gz XUECJMNZMZLQSA-UHFFFAOYSA-N 0 0 432.936 5.273 50 0 IKAARN COc1ccc2c(c1)c(-c1csc(NC(=O)Cc3c[nH]c4ccccc34)n1)c(C)n2C ZINC000013571402 556522280 /nfs/dbraw/zinc/52/22/80/556522280.db2.gz NSMQCLOEIYFOMT-UHFFFAOYSA-N 0 0 430.533 5.281 50 0 IKAARN COc1ccccc1[C@H]1c2c(ccc3ccccc32)Oc2ncn(Cc3ccco3)c(=N)c21 ZINC000013574088 556524406 /nfs/dbraw/zinc/52/44/06/556524406.db2.gz JMQHJTVSEVSZHX-DEOSSOPVSA-N 0 0 435.483 5.452 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412237 556524766 /nfs/dbraw/zinc/52/47/66/556524766.db2.gz UHOMSRKEAVQQDD-RUZDIDTESA-N 0 0 432.495 5.079 50 0 IKAARN CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C)cc2)cc1 ZINC000015412325 556524870 /nfs/dbraw/zinc/52/48/70/556524870.db2.gz GHNUJSYBMIHPOW-SANMLTNESA-N 0 0 428.532 5.132 50 0 IKAARN Cc1cccc(C)c1N1CC(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2)C1=O ZINC000015412405 556525170 /nfs/dbraw/zinc/52/51/70/556525170.db2.gz WFZWLAXJYZUBNU-QHCPKHFHSA-N 0 0 449.348 5.187 50 0 IKAARN COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1ccc(SC)cc1 ZINC000015412555 556525182 /nfs/dbraw/zinc/52/51/82/556525182.db2.gz DMWCXGMOKBGJBT-VWLOTQADSA-N 0 0 446.572 5.155 50 0 IKAARN COc1ccc([C@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412680 556525479 /nfs/dbraw/zinc/52/54/79/556525479.db2.gz IPDKDJXTILUIPU-DEOSSOPVSA-N 0 0 434.923 5.087 50 0 IKAARN OCCN(Cc1cccnc1)c1nc(-c2ccsc2)nc2scc(-c3ccccc3)c21 ZINC000072301711 556525707 /nfs/dbraw/zinc/52/57/07/556525707.db2.gz QQNDOTXMERQDBO-UHFFFAOYSA-N 0 0 444.585 5.481 50 0 IKAARN CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000015413326 556526022 /nfs/dbraw/zinc/52/60/22/556526022.db2.gz VECNRJQZDUNDER-RUZDIDTESA-N 0 0 430.573 5.455 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015413315 556526065 /nfs/dbraw/zinc/52/60/65/556526065.db2.gz OUQZTNPTAASPMI-RUZDIDTESA-N 0 0 432.951 5.893 50 0 IKAARN CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000015413240 556526110 /nfs/dbraw/zinc/52/61/10/556526110.db2.gz UZWBREBAKUUHQM-VWLOTQADSA-N 0 0 430.573 5.455 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)cc1 ZINC000013577076 556526332 /nfs/dbraw/zinc/52/63/32/556526332.db2.gz OPAFHXPIXWKRFI-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1O ZINC000013576861 556526346 /nfs/dbraw/zinc/52/63/46/556526346.db2.gz BDBFJQDWNODXKG-UHFFFAOYSA-N 0 0 427.504 5.303 50 0 IKAARN COc1ccc(C2=C/C(=C3/N=C(c4cccc(Cl)c4)OC3=O)c3ccccc3O2)cc1 ZINC000013577209 556526863 /nfs/dbraw/zinc/52/68/63/556526863.db2.gz RLEAHUNABRTUGT-ATJXCDBQSA-N 0 0 429.859 5.497 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000004426981 556527202 /nfs/dbraw/zinc/52/72/02/556527202.db2.gz NFGRVVXYMOCXDC-XMMPIXPASA-N 0 0 446.963 5.850 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)c(OC)c1C ZINC000013582139 556528421 /nfs/dbraw/zinc/52/84/21/556528421.db2.gz MFPKMPAQLOMMTE-UHFFFAOYSA-N 0 0 439.342 7.043 50 0 IKAARN FC(F)(F)c1cccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccs2)c1 ZINC000015441359 556528434 /nfs/dbraw/zinc/52/84/34/556528434.db2.gz RFCLUSKAWKCUJV-WEVVVXLNSA-N 0 0 443.519 6.820 50 0 IKAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nc(-c4c(C)[nH]c5ccccc54)cs3)c12 ZINC000032900213 556528900 /nfs/dbraw/zinc/52/89/00/556528900.db2.gz VDOGDZARAPJWTD-UHFFFAOYSA-N 0 0 442.548 5.320 50 0 IKAARN Cc1ccc2c(CC(=O)N(C)[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1C ZINC000032900320 556529156 /nfs/dbraw/zinc/52/91/56/556529156.db2.gz FEHPCRBUGUHTHW-FQEVSTJZSA-N 0 0 440.543 6.064 50 0 IKAARN Cc1ccc2c(CC(=O)N(C)[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1C ZINC000032900319 556529165 /nfs/dbraw/zinc/52/91/65/556529165.db2.gz FEHPCRBUGUHTHW-HXUWFJFHSA-N 0 0 440.543 6.064 50 0 IKAARN Cc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013591745 556529692 /nfs/dbraw/zinc/52/96/92/556529692.db2.gz IGLAXMPPOQFMPU-GGAORHGYSA-N 0 0 443.761 7.198 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@]1(c2ccc(C(C)C)cc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000013591617 556529758 /nfs/dbraw/zinc/52/97/58/556529758.db2.gz GVCVFSNRKVKXEQ-HHHXNRCGSA-N 0 0 446.978 6.351 50 0 IKAARN COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)c1 ZINC000013591414 556529774 /nfs/dbraw/zinc/52/97/74/556529774.db2.gz BEBAKIPIQLLOTF-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN Cc1ccc(-c2csc3[nH]c(CS[C@@H](C)C(=O)N(C(C)C)C(C)C)nc(=O)c23)s1 ZINC000015494975 556531032 /nfs/dbraw/zinc/53/10/32/556531032.db2.gz JJMZCSQZHYWTAV-AWEZNQCLSA-N 0 0 449.667 5.289 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000032721393 556531872 /nfs/dbraw/zinc/53/18/72/556531872.db2.gz GLFJVCYXOHIFFW-VWLOTQADSA-N 0 0 427.544 5.734 50 0 IKAARN COc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000013597693 556532377 /nfs/dbraw/zinc/53/23/77/556532377.db2.gz ZVPYKOWEDBSDMA-UHFFFAOYSA-N 0 0 439.740 6.835 50 0 IKAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000015517148 556532556 /nfs/dbraw/zinc/53/25/56/556532556.db2.gz QYHYPCXYCGLSCY-ALOPSCKCSA-N 0 0 427.639 5.314 50 0 IKAARN CCCCCCn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000013598528 556532650 /nfs/dbraw/zinc/53/26/50/556532650.db2.gz HMUFVQXYNJTJQT-VWLOTQADSA-N 0 0 425.576 6.330 50 0 IKAARN COc1ccc2c(c1)/C(=C1\N=C(c3ccccc3)OC1=O)C=C(c1ccc(SC)cc1)O2 ZINC000013610030 556534305 /nfs/dbraw/zinc/53/43/05/556534305.db2.gz XHLHKWCBPXCXDX-FLFQWRMESA-N 0 0 441.508 5.565 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616607 556535515 /nfs/dbraw/zinc/53/55/15/556535515.db2.gz JTOHHIUGYCNVHE-UWJYYQICSA-N 0 0 429.328 5.807 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616446 556535554 /nfs/dbraw/zinc/53/55/54/556535554.db2.gz DBRDMRYRNIAUTP-QPPBQGQZSA-N 0 0 437.326 6.054 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616444 556535583 /nfs/dbraw/zinc/53/55/83/556535583.db2.gz DBRDMRYRNIAUTP-XUZZJYLKSA-N 0 0 437.326 6.054 50 0 IKAARN O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616571 556535609 /nfs/dbraw/zinc/53/56/09/556535609.db2.gz YYJXUZHHFIPZEH-DYESRHJHSA-N 0 0 439.334 5.263 50 0 IKAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1Cl ZINC000013623797 556536065 /nfs/dbraw/zinc/53/60/65/556536065.db2.gz RNGGXKNIYBUWIT-BLLLJJGKSA-N 0 0 440.809 5.051 50 0 IKAARN COc1ccc(CN(C)C(=O)c2ccccc2CSc2nc3ccccc3o2)cc1F ZINC000032719763 556538582 /nfs/dbraw/zinc/53/85/82/556538582.db2.gz FJTVMQBBRQLANW-UHFFFAOYSA-N 0 0 436.508 5.540 50 0 IKAARN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000013631170 556539173 /nfs/dbraw/zinc/53/91/73/556539173.db2.gz VTEIUUMKPHGZPD-FQEVSTJZSA-N 0 0 430.548 5.787 50 0 IKAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631030 556539184 /nfs/dbraw/zinc/53/91/84/556539184.db2.gz IGPJSVIATVPKGQ-HXUWFJFHSA-N 0 0 430.548 5.789 50 0 IKAARN Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1cccc(Br)c1 ZINC000015636039 556539369 /nfs/dbraw/zinc/53/93/69/556539369.db2.gz VESFJQSCUIANLK-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000015636711 556539647 /nfs/dbraw/zinc/53/96/47/556539647.db2.gz XFZZZWVPJYLRSW-QHCPKHFHSA-N 0 0 427.331 6.366 50 0 IKAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(C2SCCCS2)cc1 ZINC000015641608 556539936 /nfs/dbraw/zinc/53/99/36/556539936.db2.gz ZWWYKKVQONJVPH-UHFFFAOYSA-N 0 0 429.998 5.706 50 0 IKAARN COc1cc(C(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc(OC)c1OC ZINC000015670873 556541832 /nfs/dbraw/zinc/54/18/32/556541832.db2.gz ACIYVRFRQXUMPL-VWLOTQADSA-N 0 0 444.531 5.364 50 0 IKAARN CCn1c(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)nc2ccccc21 ZINC000013640472 556541941 /nfs/dbraw/zinc/54/19/41/556541941.db2.gz CIABUKRYRIZNJF-UHFFFAOYSA-N 0 0 433.361 5.037 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cc3c(C)noc3C)o1)CCCCC2 ZINC000013640966 556542146 /nfs/dbraw/zinc/54/21/46/556542146.db2.gz KURLWCGYGJZOAV-UHFFFAOYSA-N 0 0 442.537 5.235 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641479 556542532 /nfs/dbraw/zinc/54/25/32/556542532.db2.gz CLWOZWWXCRGRPA-OAQYLSRUSA-N 0 0 435.483 5.957 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641633 556542639 /nfs/dbraw/zinc/54/26/39/556542639.db2.gz ZLLXHNMDUBHPRN-UHFFFAOYSA-N 0 0 438.468 6.012 50 0 IKAARN FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3nc(-c4ccc(Cl)cc4)no3)nn21 ZINC000013644855 556543206 /nfs/dbraw/zinc/54/32/06/556543206.db2.gz DTHDOWXEQMQEOQ-UHFFFAOYSA-N 0 0 441.800 5.786 50 0 IKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2OC)cc1 ZINC000013645321 556543694 /nfs/dbraw/zinc/54/36/94/556543694.db2.gz BIUPODNFTOFXSQ-UHFFFAOYSA-N 0 0 442.515 5.091 50 0 IKAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032904367 556543645 /nfs/dbraw/zinc/54/36/45/556543645.db2.gz WDYBHFLFDJIFPD-INIZCTEOSA-N 0 0 440.425 5.028 50 0 IKAARN O=C(N1CC=C(c2c[nH]c3ccccc32)CC1)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000032904469 556543994 /nfs/dbraw/zinc/54/39/94/556543994.db2.gz YBCGZYIUYFGLOK-UHFFFAOYSA-N 0 0 441.600 6.196 50 0 IKAARN Cc1cccc(NC(=O)/C(=C\c2ccc(O)cc2)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000015722521 556545283 /nfs/dbraw/zinc/54/52/83/556545283.db2.gz LRSHXOQMSYAFJF-CIAFOILYSA-N 0 0 441.314 5.417 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000015724801 556545944 /nfs/dbraw/zinc/54/59/44/556545944.db2.gz IVZXDMVMZOSNPQ-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN CSc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)c1 ZINC000015724783 556545969 /nfs/dbraw/zinc/54/59/69/556545969.db2.gz NHPIATUAYNRCDN-RUZDIDTESA-N 0 0 427.573 6.378 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000015724793 556546037 /nfs/dbraw/zinc/54/60/37/556546037.db2.gz MORKTWYVCQASLX-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@H](c3cccs3)C2)cc1 ZINC000013655688 556546007 /nfs/dbraw/zinc/54/60/07/556546007.db2.gz FDSBLRARTRFCST-QFIPXVFZSA-N 0 0 431.586 6.544 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000015725003 556546281 /nfs/dbraw/zinc/54/62/81/556546281.db2.gz KWMUTXTXSYDPJH-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000015724879 556546316 /nfs/dbraw/zinc/54/63/16/556546316.db2.gz LUUYOWCDVGLPMB-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000015724892 556546360 /nfs/dbraw/zinc/54/63/60/556546360.db2.gz QBSGBLOHFVUAEP-SANMLTNESA-N 0 0 425.532 5.919 50 0 IKAARN Cc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725096 556546572 /nfs/dbraw/zinc/54/65/72/556546572.db2.gz CIEZLJKTVIIDPW-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000015725050 556546595 /nfs/dbraw/zinc/54/65/95/556546595.db2.gz KVRVOMATFUQJQV-VWLOTQADSA-N 0 0 447.941 6.702 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)cc(C)c1)[C@H]3c1ccc(F)cc1 ZINC000015725389 556546806 /nfs/dbraw/zinc/54/68/06/556546806.db2.gz GUXIUADQHUKWRY-SANMLTNESA-N 0 0 443.522 6.112 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000015725288 556546873 /nfs/dbraw/zinc/54/68/73/556546873.db2.gz MRZOPCPPVURVHQ-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN O=c1c2cc(Br)ccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccccc1 ZINC000013661715 556547019 /nfs/dbraw/zinc/54/70/19/556547019.db2.gz YCUZGRWQQHMZPL-JLHYYAGUSA-N 0 0 442.316 5.800 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)cc1 ZINC000015725613 556547164 /nfs/dbraw/zinc/54/71/64/556547164.db2.gz YTGCZCJFNMIFAW-UHFFFAOYSA-N 0 0 448.548 5.104 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)c(C)c1)[C@H]3c1ccc(C)cc1 ZINC000015725456 556547181 /nfs/dbraw/zinc/54/71/81/556547181.db2.gz ZYJWZWZPXNQWPF-MHZLTWQESA-N 0 0 439.559 6.281 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(C(F)(F)F)c3)cc2s1 ZINC000032959388 556547599 /nfs/dbraw/zinc/54/75/99/556547599.db2.gz DPCJALUMPTWWRB-UHFFFAOYSA-N 0 0 435.471 5.625 50 0 IKAARN CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1nc2ccccc2s1 ZINC000032722472 556547794 /nfs/dbraw/zinc/54/77/94/556547794.db2.gz NLKBYMFKTIEIQR-UHFFFAOYSA-N 0 0 439.562 5.033 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000032959405 556547828 /nfs/dbraw/zinc/54/78/28/556547828.db2.gz VXNXLQSEGNANFA-UHFFFAOYSA-N 0 0 449.620 5.449 50 0 IKAARN N=C1NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)S1 ZINC000015746004 556547926 /nfs/dbraw/zinc/54/79/26/556547926.db2.gz GJKUYVHMIIIMBU-ODLFYWEKSA-N 0 0 439.334 5.320 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000032727087 556548443 /nfs/dbraw/zinc/54/84/43/556548443.db2.gz GAWYCDDGJNZTMI-UHFFFAOYSA-N 0 0 433.467 5.430 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CC(=O)N3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000032959725 556550130 /nfs/dbraw/zinc/55/01/30/556550130.db2.gz NLXSMDDBHKMYBH-UHFFFAOYSA-N 0 0 435.593 5.059 50 0 IKAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(F)c(F)cc1I ZINC000072305132 556550184 /nfs/dbraw/zinc/55/01/84/556550184.db2.gz ITRWSRJPBJNSFB-UHFFFAOYSA-N 0 0 442.030 5.057 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000032996958 556550436 /nfs/dbraw/zinc/55/04/36/556550436.db2.gz YPVHAJKWYJTDTB-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN COc1cccc(NC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778738 556550863 /nfs/dbraw/zinc/55/08/63/556550863.db2.gz UROZIWAFZZDREJ-HXUWFJFHSA-N 0 0 434.883 5.310 50 0 IKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCCc4ccc(Cl)cc4)c3)nn2)cc1 ZINC000032996995 556550878 /nfs/dbraw/zinc/55/08/78/556550878.db2.gz FAUUDXZSHSHIRU-UHFFFAOYSA-N 0 0 442.950 5.822 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997084 556550912 /nfs/dbraw/zinc/55/09/12/556550912.db2.gz ZTCZWNFILVAASO-JOCHJYFZSA-N 0 0 438.528 5.404 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997195 556551139 /nfs/dbraw/zinc/55/11/39/556551139.db2.gz JSEYONVDGNOGIV-FQEVSTJZSA-N 0 0 426.929 5.138 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997455 556551400 /nfs/dbraw/zinc/55/14/00/556551400.db2.gz HIUPITKOQDHFHY-QFIPXVFZSA-N 0 0 438.528 5.322 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1F)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997461 556551421 /nfs/dbraw/zinc/55/14/21/556551421.db2.gz DUCDEOSOQKWTLL-QFIPXVFZSA-N 0 0 438.528 5.322 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cccc(F)c1F ZINC000032997428 556551461 /nfs/dbraw/zinc/55/14/61/556551461.db2.gz BYEXHAFILDJCKU-OAQYLSRUSA-N 0 0 442.491 5.009 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(C)cc1 ZINC000032997333 556551481 /nfs/dbraw/zinc/55/14/81/556551481.db2.gz UGFCZXBQEVFNKF-HSZRJFAPSA-N 0 0 434.565 5.429 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997643 556551684 /nfs/dbraw/zinc/55/16/84/556551684.db2.gz FXLLYVZOTCHZTK-DEOSSOPVSA-N 0 0 448.592 5.800 50 0 IKAARN CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1 ZINC000032997516 556551719 /nfs/dbraw/zinc/55/17/19/556551719.db2.gz BYZFBDVUBZRIIB-FQEVSTJZSA-N 0 0 426.929 5.057 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997655 556551723 /nfs/dbraw/zinc/55/17/23/556551723.db2.gz SWMJKESRWCQZSX-DEOSSOPVSA-N 0 0 448.592 5.800 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997672 556551762 /nfs/dbraw/zinc/55/17/62/556551762.db2.gz OXFDIVSWURFLCH-OAQYLSRUSA-N 0 0 440.956 5.365 50 0 IKAARN CCCC(=O)N1c2ccc(F)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1Cl ZINC000032997828 556551914 /nfs/dbraw/zinc/55/19/14/556551914.db2.gz FVMDBFIEFVWVSI-HXUWFJFHSA-N 0 0 444.919 5.277 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccccc1C ZINC000032997735 556551946 /nfs/dbraw/zinc/55/19/46/556551946.db2.gz HNEBGCPEJZKUAA-DEOSSOPVSA-N 0 0 448.592 5.656 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@H]1c1ccc(C)cc1 ZINC000032998034 556551962 /nfs/dbraw/zinc/55/19/62/556551962.db2.gz WFZGOICMCWGKSM-DEOSSOPVSA-N 0 0 448.592 5.738 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(C)o1 ZINC000032997707 556551965 /nfs/dbraw/zinc/55/19/65/556551965.db2.gz VXJHOBAJLCTDHL-QFIPXVFZSA-N 0 0 438.553 5.249 50 0 IKAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1cccc(C)c1 ZINC000032998145 556552292 /nfs/dbraw/zinc/55/22/92/556552292.db2.gz ZZRNWXFDNWRUNN-HXUWFJFHSA-N 0 0 426.929 5.057 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1sc2ccccc2c1Cl ZINC000015799360 556552357 /nfs/dbraw/zinc/55/23/57/556552357.db2.gz PTPGYORPXPWKSJ-UHFFFAOYSA-N 0 0 436.945 6.789 50 0 IKAARN CCc1ccc(-n2ncc(-c3cc(C(=O)NCCC(C)C)c4ccccc4n3)c2C)cc1 ZINC000032998497 556552518 /nfs/dbraw/zinc/55/25/18/556552518.db2.gz USZUQFZNQUZICL-UHFFFAOYSA-N 0 0 426.564 5.734 50 0 IKAARN Cc1c(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998565 556552522 /nfs/dbraw/zinc/55/25/22/556552522.db2.gz OALZNHJKTHUKIO-UHFFFAOYSA-N 0 0 436.490 6.096 50 0 IKAARN Cc1c(-c2cc(C(=O)NC3CCCCC3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998786 556552538 /nfs/dbraw/zinc/55/25/38/556552538.db2.gz QFUTUAXHSHJZKM-UHFFFAOYSA-N 0 0 438.575 6.075 50 0 IKAARN Cc1c(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998558 556552551 /nfs/dbraw/zinc/55/25/51/556552551.db2.gz XKLVAEQHQBGIBD-UHFFFAOYSA-N 0 0 440.453 5.926 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1Cl ZINC000015799842 556552668 /nfs/dbraw/zinc/55/26/68/556552668.db2.gz XUMDREUJBLVZPO-UHFFFAOYSA-N 0 0 432.159 6.984 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2cc(C)ccc2C)n(C)c3=O)cc1 ZINC000033022357 556552966 /nfs/dbraw/zinc/55/29/66/556552966.db2.gz KYPPRRYWJNGBJM-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN CCOc1cc(C=C2SC(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000015800640 556553055 /nfs/dbraw/zinc/55/30/55/556553055.db2.gz DKZRPBMLVMGVLW-UNOMPAQXSA-N 0 0 447.940 5.137 50 0 IKAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000015800399 556553112 /nfs/dbraw/zinc/55/31/12/556553112.db2.gz PTSKPHJHXPRJLX-UUASQNMZSA-N 0 0 443.739 5.373 50 0 IKAARN CC[C@@H](C)c1ccc([C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 ZINC000032906595 556553455 /nfs/dbraw/zinc/55/34/55/556553455.db2.gz MNXVFMVXAVTYON-QUGAMOGWSA-N 0 0 448.588 5.431 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(CN5CCOCC5)cc4)cc3)sc2c1 ZINC000015822872 556554051 /nfs/dbraw/zinc/55/40/51/556554051.db2.gz ZAINTGRWDVSSBE-UHFFFAOYSA-N 0 0 443.572 5.356 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1)C1CCC1 ZINC000033114912 556554314 /nfs/dbraw/zinc/55/43/14/556554314.db2.gz JDDDGOMWNSSKPE-UHFFFAOYSA-N 0 0 433.364 5.523 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)c3sc4cc(C)ccc4c3Cl)cs2)cc1 ZINC000015832796 556554954 /nfs/dbraw/zinc/55/49/54/556554954.db2.gz UHLCRWPBJBOCIA-UHFFFAOYSA-N 0 0 442.993 5.968 50 0 IKAARN CN(C(=O)c1ccccc1Br)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835520 556555356 /nfs/dbraw/zinc/55/53/56/556555356.db2.gz XPGCGLUXJDMMKU-FQEVSTJZSA-N 0 0 425.351 5.854 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033115634 556555386 /nfs/dbraw/zinc/55/53/86/556555386.db2.gz VGPQESRIJIYMHN-AREMUKBSSA-N 0 0 428.557 5.388 50 0 IKAARN COc1ccc(OCC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000033115596 556555457 /nfs/dbraw/zinc/55/54/57/556555457.db2.gz RIAUKPFBMWRVCX-MUUNZHRXSA-N 0 0 438.527 5.305 50 0 IKAARN Cc1ccc(Oc2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2)cc1 ZINC000033115887 556555714 /nfs/dbraw/zinc/55/57/14/556555714.db2.gz SADBSJDZUBOBKL-FQEVSTJZSA-N 0 0 425.488 5.666 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)c2ccco2)CCCC4)c1 ZINC000033115697 556555750 /nfs/dbraw/zinc/55/57/50/556555750.db2.gz RIZXERBSZQNIPW-DEOSSOPVSA-N 0 0 428.557 6.064 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Oc5ccccc5)cc4)no3)CC2=O)cc1C ZINC000033115881 556555782 /nfs/dbraw/zinc/55/57/82/556555782.db2.gz NTRMHEXVCJAPJD-FQEVSTJZSA-N 0 0 425.488 5.666 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Oc5cccc(C)c5)cc4)no3)CC2=O)cc1 ZINC000033115891 556555985 /nfs/dbraw/zinc/55/59/85/556555985.db2.gz RKVDVADSIFBBQW-FQEVSTJZSA-N 0 0 425.488 5.666 50 0 IKAARN CCCCOc1ccc(NC(=O)COc2ccc(Br)cc2)c2cccnc12 ZINC000015841073 556556687 /nfs/dbraw/zinc/55/66/87/556556687.db2.gz CBSQKQGFTIRMRQ-UHFFFAOYSA-N 0 0 429.314 5.194 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)no1 ZINC000032905873 556556717 /nfs/dbraw/zinc/55/67/17/556556717.db2.gz OOUADIYVFPOWOI-UHFFFAOYSA-N 0 0 442.500 5.731 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000032905851 556556825 /nfs/dbraw/zinc/55/68/25/556556825.db2.gz UIEUADIKSKVLQI-KRWDZBQOSA-N 0 0 429.545 5.828 50 0 IKAARN Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)s1 ZINC000032905928 556556954 /nfs/dbraw/zinc/55/69/54/556556954.db2.gz HGYLZFJAVKWDMM-QMMMGPOBSA-N 0 0 429.354 5.236 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)no2)cc1 ZINC000032905991 556557402 /nfs/dbraw/zinc/55/74/02/556557402.db2.gz NRDYNDVIJCFCET-UHFFFAOYSA-N 0 0 440.532 5.288 50 0 IKAARN C[C@@H](C(=O)NCc1noc(-c2ccccc2)n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000013682113 556557424 /nfs/dbraw/zinc/55/74/24/556557424.db2.gz UUBNEQLQBUIWAY-CQSZACIVSA-N 0 0 430.895 5.444 50 0 IKAARN CC(C)c1ccc(OCC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033266269 556557710 /nfs/dbraw/zinc/55/77/10/556557710.db2.gz KXECVGSEHTZPPX-XMMPIXPASA-N 0 0 445.494 5.284 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)CCCc1nc2ccccc2s1 ZINC000072306563 556557962 /nfs/dbraw/zinc/55/79/62/556557962.db2.gz QBVCHZVMSZGSIH-OAQYLSRUSA-N 0 0 432.593 5.913 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCCc1nc2ccccc2s1 ZINC000072306562 556558001 /nfs/dbraw/zinc/55/80/01/556558001.db2.gz QBVCHZVMSZGSIH-NRFANRHFSA-N 0 0 432.593 5.913 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)CCCOc1ccccc1Cl ZINC000072306559 556558003 /nfs/dbraw/zinc/55/80/03/556558003.db2.gz LAAGKNJPFYNSSI-OAQYLSRUSA-N 0 0 425.960 5.793 50 0 IKAARN CC1CCN([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccco2)CC1 ZINC000015860074 556558485 /nfs/dbraw/zinc/55/84/85/556558485.db2.gz WAUVMBRNMIEXTM-HSZRJFAPSA-N 0 0 433.552 5.016 50 0 IKAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCCC2)o1 ZINC000015860446 556558720 /nfs/dbraw/zinc/55/87/20/556558720.db2.gz WAAOMYONJWTFQF-QHCPKHFHSA-N 0 0 433.552 5.079 50 0 IKAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCCC2)o1 ZINC000015860445 556558807 /nfs/dbraw/zinc/55/88/07/556558807.db2.gz WAAOMYONJWTFQF-HSZRJFAPSA-N 0 0 433.552 5.079 50 0 IKAARN O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccccc1-c1ccccc1 ZINC000015890492 556561546 /nfs/dbraw/zinc/56/15/46/556561546.db2.gz NPMYMGAFPSAVGI-UHFFFAOYSA-N 0 0 439.338 5.118 50 0 IKAARN S=c1[nH]nc(C2CC2)n1CCNc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000072307738 556562014 /nfs/dbraw/zinc/56/20/14/556562014.db2.gz NCZSRZSDMNKXTF-UHFFFAOYSA-N 0 0 428.974 5.255 50 0 IKAARN COc1ccccc1-c1csc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1 ZINC000015906062 556562499 /nfs/dbraw/zinc/56/24/99/556562499.db2.gz ODPPXJQSSLNCMP-UHFFFAOYSA-N 0 0 446.557 5.780 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000015905960 556562525 /nfs/dbraw/zinc/56/25/25/556562525.db2.gz CJQKVTCNZNGYMR-AAOOWBFOSA-N 0 0 432.907 6.362 50 0 IKAARN O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000015906567 556562790 /nfs/dbraw/zinc/56/27/90/556562790.db2.gz UUENVKHVYBAYBA-UIIVTVCRSA-N 0 0 440.518 6.028 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000015906596 556562865 /nfs/dbraw/zinc/56/28/65/556562865.db2.gz ZBRBDUITJXXVIL-GDLZYMKVSA-N 0 0 446.550 6.916 50 0 IKAARN O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000015906565 556562869 /nfs/dbraw/zinc/56/28/69/556562869.db2.gz UUENVKHVYBAYBA-LRPTXAEXSA-N 0 0 440.518 6.028 50 0 IKAARN O=C(COc1cc(Cl)ccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000015911649 556563133 /nfs/dbraw/zinc/56/31/33/556563133.db2.gz PXFKXXRNWDJKCP-GOSISDBHSA-N 0 0 449.721 5.997 50 0 IKAARN Cc1nc(COc2ccccc2/C=C/C(=O)N(C)c2nnc(-c3ccccc3)s2)cs1 ZINC000072307913 556563326 /nfs/dbraw/zinc/56/33/26/556563326.db2.gz RKTDXGRRLIYLOC-OUKQBFOZSA-N 0 0 448.573 5.225 50 0 IKAARN O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000072307965 556563437 /nfs/dbraw/zinc/56/34/37/556563437.db2.gz YZSZDZYSJJVMMT-HNNXBMFYSA-N 0 0 433.304 5.122 50 0 IKAARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1 ZINC000032908405 556564879 /nfs/dbraw/zinc/56/48/79/556564879.db2.gz VCHQVOWFHGIQDA-DEOSSOPVSA-N 0 0 439.515 5.698 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(OC)c(OC)c1)Nc1ccccc1-2 ZINC000015930724 556565165 /nfs/dbraw/zinc/56/51/65/556565165.db2.gz JKPXNXPPTYEETD-IBGZPJMESA-N 0 0 444.944 5.214 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cc(F)ccc3C)cc1)=NCC2 ZINC000033528583 556565585 /nfs/dbraw/zinc/56/55/85/556565585.db2.gz ZNIBLLGFJTYLBS-UHFFFAOYSA-N 0 0 447.510 5.383 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015932664 556565705 /nfs/dbraw/zinc/56/57/05/556565705.db2.gz SKDZQGKPLLXMNR-QNGOZBTKSA-N 0 0 438.980 6.109 50 0 IKAARN FC(F)(F)c1cccc(-c2c[nH]c([C@H]3CCCN3Cc3nc(-c4ccsc4)no3)n2)c1 ZINC000072308666 556565959 /nfs/dbraw/zinc/56/59/59/556565959.db2.gz HVOSHYFQYZAIBC-QGZVFWFLSA-N 0 0 445.470 5.544 50 0 IKAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(OC)c1OC)O2 ZINC000033670190 556566772 /nfs/dbraw/zinc/56/67/72/556566772.db2.gz YOBSMYXMJKDADT-NVQXNPDNSA-N 0 0 430.504 5.345 50 0 IKAARN COc1cc(OC)c(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)c(OC)c1 ZINC000033676100 556566795 /nfs/dbraw/zinc/56/67/95/556566795.db2.gz RQAZMTROVPBDLW-XKZIYDEJSA-N 0 0 435.501 5.102 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2Br)cc1 ZINC000033687040 556566820 /nfs/dbraw/zinc/56/68/20/556566820.db2.gz HRIQKYSYHRQYIC-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(O)c(OC)c2)N3)C1 ZINC000015945410 556566861 /nfs/dbraw/zinc/56/68/61/556566861.db2.gz PFOWIHQBYOLWEJ-XLFHBGCDSA-N 0 0 437.359 5.169 50 0 IKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(O)c(OC)c2)N3)C1 ZINC000015945412 556566864 /nfs/dbraw/zinc/56/68/64/556566864.db2.gz PFOWIHQBYOLWEJ-XYZCENFISA-N 0 0 437.359 5.169 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc(Cl)c1O ZINC000015946252 556567027 /nfs/dbraw/zinc/56/70/27/556567027.db2.gz PGDJIJHLTGKWCX-RNODOKPDSA-N 0 0 449.016 6.476 50 0 IKAARN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000033706785 556567028 /nfs/dbraw/zinc/56/70/28/556567028.db2.gz HGPNYHNXMXCPQB-LPXFMOJISA-N 0 0 436.360 6.407 50 0 IKAARN CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)CC)C3 ZINC000015946160 556567104 /nfs/dbraw/zinc/56/71/04/556567104.db2.gz RBTXLRLOHAHMCJ-OSPHWJPCSA-N 0 0 448.632 7.270 50 0 IKAARN O=C1N[C@H](c2ccc(Cl)c(Cl)c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000015947392 556568026 /nfs/dbraw/zinc/56/80/26/556568026.db2.gz FZPAUWNOUMTNBQ-FQEVSTJZSA-N 0 0 444.387 6.042 50 0 IKAARN FC(F)(F)c1cc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000033808191 556568203 /nfs/dbraw/zinc/56/82/03/556568203.db2.gz UEVOGIYBBNKITJ-UHFFFAOYSA-N 0 0 447.448 5.239 50 0 IKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)ccc1OC(=O)c1ccco1 ZINC000015947501 556568305 /nfs/dbraw/zinc/56/83/05/556568305.db2.gz DSHDFUDUMXINMD-YUNKPMOVSA-N 0 0 438.505 5.123 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015947475 556568311 /nfs/dbraw/zinc/56/83/11/556568311.db2.gz WDINJFCEZYIXJT-APBUJDDRSA-N 0 0 433.360 6.869 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015947469 556568339 /nfs/dbraw/zinc/56/83/39/556568339.db2.gz WDINJFCEZYIXJT-DGIBIBHMSA-N 0 0 433.360 6.869 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(Br)c1O ZINC000015947463 556568341 /nfs/dbraw/zinc/56/83/41/556568341.db2.gz GIFWDTAGWMIFMU-HUTHGQBESA-N 0 0 437.359 5.169 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(Br)c1O ZINC000015947461 556568344 /nfs/dbraw/zinc/56/83/44/556568344.db2.gz GIFWDTAGWMIFMU-XYZCENFISA-N 0 0 437.359 5.169 50 0 IKAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncnc(Nc3ccc(Br)cc3F)c12 ZINC000032960500 556568465 /nfs/dbraw/zinc/56/84/65/556568465.db2.gz IVSFWLYCYNGCBB-UHFFFAOYSA-N 0 0 429.268 5.822 50 0 IKAARN CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@H](C)C5)o2)cc1 ZINC000015947805 556568682 /nfs/dbraw/zinc/56/86/82/556568682.db2.gz IUNOCORREBYTMT-YEJXKQKISA-N 0 0 436.533 5.739 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947828 556568698 /nfs/dbraw/zinc/56/86/98/556568698.db2.gz CCBMFYYGXZOHHN-OVWNDWIMSA-N 0 0 433.360 6.869 50 0 IKAARN COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[C@H](C)C5)cc2)cc1 ZINC000015947850 556568868 /nfs/dbraw/zinc/56/88/68/556568868.db2.gz VAJRHDYJZWCOPC-FPTDNZKUSA-N 0 0 448.544 5.530 50 0 IKAARN COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@H](C)C5)cc2)cc1 ZINC000015947852 556568878 /nfs/dbraw/zinc/56/88/78/556568878.db2.gz VAJRHDYJZWCOPC-RCDICMHDSA-N 0 0 448.544 5.530 50 0 IKAARN CCOC1CCN([C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)CC1 ZINC000072309118 556569442 /nfs/dbraw/zinc/56/94/42/556569442.db2.gz OOZPLCYGLOUGHZ-QFIPXVFZSA-N 0 0 439.556 5.130 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000032960575 556570244 /nfs/dbraw/zinc/57/02/44/556570244.db2.gz LKTNXTJJKUVBBC-UHFFFAOYSA-N 0 0 447.538 6.072 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1 ZINC000032960564 556570498 /nfs/dbraw/zinc/57/04/98/556570498.db2.gz DFQDLJCQBRIKLR-UHFFFAOYSA-N 0 0 431.539 6.371 50 0 IKAARN COc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1O ZINC000015978604 556570594 /nfs/dbraw/zinc/57/05/94/556570594.db2.gz BEFRCYZNZWJUMT-NHFJDJAPSA-N 0 0 440.524 6.478 50 0 IKAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000015975089 556570673 /nfs/dbraw/zinc/57/06/73/556570673.db2.gz MXOASUBCAMGIBF-OAHLLOKOSA-N 0 0 446.400 6.281 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccs3)C[C@H]21 ZINC000034138822 556571008 /nfs/dbraw/zinc/57/10/08/556571008.db2.gz ZDVSAQCEHFPQNZ-KOSHJBKYSA-N 0 0 436.533 5.406 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000034138839 556571018 /nfs/dbraw/zinc/57/10/18/556571018.db2.gz DTFVQLHCRPOFPV-RDGATRHJSA-N 0 0 446.478 5.253 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccs3)C[C@H]21 ZINC000034138838 556571155 /nfs/dbraw/zinc/57/11/55/556571155.db2.gz AHUSSJIDWJMZJW-XXBNENTESA-N 0 0 434.517 5.176 50 0 IKAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1OC(F)F ZINC000015982341 556571235 /nfs/dbraw/zinc/57/12/35/556571235.db2.gz WHCCQMQAYNQNSF-UHFFFAOYSA-N 0 0 425.460 5.358 50 0 IKAARN O=C(Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000032961115 556571558 /nfs/dbraw/zinc/57/15/58/556571558.db2.gz NCTRITFPQFQWSZ-UHFFFAOYSA-N 0 0 446.919 5.936 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4)o3)n2)cc1 ZINC000015991755 556571732 /nfs/dbraw/zinc/57/17/32/556571732.db2.gz KFWOWBCGRUNUTE-UHFFFAOYSA-N 0 0 433.489 5.193 50 0 IKAARN O=C(Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)c1ccc(Br)o1 ZINC000032961062 556571777 /nfs/dbraw/zinc/57/17/77/556571777.db2.gz NDGTYKGJYLJFSB-UHFFFAOYSA-N 0 0 442.294 5.156 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CCc1c[nH]c3ccccc13)CC2 ZINC000016002214 556573083 /nfs/dbraw/zinc/57/30/83/556573083.db2.gz FWDYCQVWEBDGLL-NDEPHWFRSA-N 0 0 440.543 5.292 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000016007554 556573321 /nfs/dbraw/zinc/57/33/21/556573321.db2.gz ZJHYWCDBMLSWBM-BLLLJJGKSA-N 0 0 439.965 5.310 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1)c1ccco1 ZINC000001074626 556573749 /nfs/dbraw/zinc/57/37/49/556573749.db2.gz OCYRHHJRAFSQDS-UHFFFAOYSA-N 0 0 434.455 5.394 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(Br)cc1 ZINC000016011390 556573873 /nfs/dbraw/zinc/57/38/73/556573873.db2.gz CKJMFGXQZMUXTP-UHFFFAOYSA-N 0 0 448.748 5.132 50 0 IKAARN CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc21)c1ccc(Oc2ccccc2)cc1 ZINC000001209443 556574435 /nfs/dbraw/zinc/57/44/35/556574435.db2.gz HTNURNJWEJEWQP-UHFFFAOYSA-N 0 0 446.528 5.037 50 0 IKAARN O=C(Nc1cccc2ccccc21)[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001233720 556574831 /nfs/dbraw/zinc/57/48/31/556574831.db2.gz SNUNBNUHYOFGIT-JKSUJKDBSA-N 0 0 438.738 5.789 50 0 IKAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3Cl)N2C1=O ZINC000002496389 556574998 /nfs/dbraw/zinc/57/49/98/556574998.db2.gz WLAARRZSMUKBKP-GHTZIAJQSA-N 0 0 442.346 5.553 50 0 IKAARN Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2N2CCCCC2)cc1 ZINC000016214278 556575434 /nfs/dbraw/zinc/57/54/34/556575434.db2.gz VGCGZTKDGIWZPW-UHFFFAOYSA-N 0 0 439.515 5.038 50 0 IKAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016035772 556577699 /nfs/dbraw/zinc/57/76/99/556577699.db2.gz RLFFOORFFXPLLB-UHFFFAOYSA-N 0 0 433.257 5.030 50 0 IKAARN Brc1ccc(Nc2ncnc3sc4c(c32)CCCC4)c(Br)c1 ZINC000022017041 556577908 /nfs/dbraw/zinc/57/79/08/556577908.db2.gz PZTNFOYJBMAQIN-UHFFFAOYSA-N 0 0 439.176 5.839 50 0 IKAARN CN1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000022938218 556578087 /nfs/dbraw/zinc/57/80/87/556578087.db2.gz SUDIGEWKAXAVIZ-QHCPKHFHSA-N 0 0 431.561 5.083 50 0 IKAARN O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(-c2ccco2)nc2ccccc21 ZINC000032910009 556578402 /nfs/dbraw/zinc/57/84/02/556578402.db2.gz GRZKJHRDGWSUCF-UHFFFAOYSA-N 0 0 428.271 6.037 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000002999186 556578580 /nfs/dbraw/zinc/57/85/80/556578580.db2.gz PDUFUMPTZWNIJZ-UHFFFAOYSA-N 0 0 434.923 5.623 50 0 IKAARN COc1cc2c(cc1C(c1ccccc1)(c1ccccc1)[C@H]1C=CC=CC1)NC(C)(C)C=C2C ZINC000003880457 556578960 /nfs/dbraw/zinc/57/89/60/556578960.db2.gz BINAYCQJLSYSRF-SANMLTNESA-N 0 0 447.622 7.769 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000016046133 556579856 /nfs/dbraw/zinc/57/98/56/556579856.db2.gz JFMIPYIQRPHMAN-CXAGYDPISA-N 0 0 428.558 5.095 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)n1 ZINC000034713038 556581166 /nfs/dbraw/zinc/58/11/66/556581166.db2.gz GXTRIOQEAGXBIN-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)n1 ZINC000034717464 556581467 /nfs/dbraw/zinc/58/14/67/556581467.db2.gz BCNACFSGIGOKAR-UHFFFAOYSA-N 0 0 434.483 5.888 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000016061495 556581494 /nfs/dbraw/zinc/58/14/94/556581494.db2.gz CZHCTUHZLDXQKC-UHFFFAOYSA-N 0 0 425.604 5.810 50 0 IKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)N4CCSCC4)cs3)c(F)c2)c1 ZINC000034722983 556581700 /nfs/dbraw/zinc/58/17/00/556581700.db2.gz PWMRGLRDLYKOGV-UHFFFAOYSA-N 0 0 428.554 5.026 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O)c1ccc(F)cc1 ZINC000034734990 556581735 /nfs/dbraw/zinc/58/17/35/556581735.db2.gz UWNOITSVIVXNPN-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)[nH]3)cs2)cc1OC ZINC000032911015 556581904 /nfs/dbraw/zinc/58/19/04/556581904.db2.gz IBHGWUZGFDGNLH-UHFFFAOYSA-N 0 0 425.535 5.159 50 0 IKAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000032911160 556582215 /nfs/dbraw/zinc/58/22/15/556582215.db2.gz GCELBSNIJDNRNJ-OAHLLOKOSA-N 0 0 433.508 5.564 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3c(F)cccc3F)[C@@H](C)C1)=N2 ZINC000034812795 556582933 /nfs/dbraw/zinc/58/29/33/556582933.db2.gz LQAXEFHISZFMBT-KRWDZBQOSA-N 0 0 447.485 5.304 50 0 IKAARN Cc1ccc(OCCOC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000032910654 556583832 /nfs/dbraw/zinc/58/38/32/556583832.db2.gz WTOARKSWTGIRNP-HSZRJFAPSA-N 0 0 437.923 5.132 50 0 IKAARN CCOc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)cc1 ZINC000016141543 556585274 /nfs/dbraw/zinc/58/52/74/556585274.db2.gz SPJKJFUROXNAOZ-FQEVSTJZSA-N 0 0 430.342 5.174 50 0 IKAARN COc1ccc(OCCn2c3ccccc3n(Cc3ccc(Cl)c(Cl)c3)c2=N)cc1 ZINC000016156436 556585751 /nfs/dbraw/zinc/58/57/51/556585751.db2.gz UHPIOLAKJCOPSG-UHFFFAOYSA-N 0 0 442.346 5.365 50 0 IKAARN CSc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000016188724 556588487 /nfs/dbraw/zinc/58/84/87/556588487.db2.gz TUUWBTQOESVXBM-UHFFFAOYSA-N 0 0 446.981 5.139 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 ZINC000016192971 556589000 /nfs/dbraw/zinc/58/90/00/556589000.db2.gz PZRBVADPKFNFKU-SCLBCKFNSA-N 0 0 433.415 6.481 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)CCC)cc3n2)cc1 ZINC000016193196 556589007 /nfs/dbraw/zinc/58/90/07/556589007.db2.gz ILDULJYCBRGTRG-UHFFFAOYSA-N 0 0 429.977 5.030 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1 ZINC000016193239 556589073 /nfs/dbraw/zinc/58/90/73/556589073.db2.gz JWLDWHXNDNWIRX-UHFFFAOYSA-N 0 0 438.281 5.303 50 0 IKAARN COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1NC(=O)c1ccco1 ZINC000016195961 556590467 /nfs/dbraw/zinc/59/04/67/556590467.db2.gz DYZUDXGDACLHHM-UHFFFAOYSA-N 0 0 448.519 5.606 50 0 IKAARN O=C(c1cccs1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000032912334 556590970 /nfs/dbraw/zinc/59/09/70/556590970.db2.gz FGODHHBQUCPEDK-INIZCTEOSA-N 0 0 425.897 5.032 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccccc1Cl ZINC000016212594 556590991 /nfs/dbraw/zinc/59/09/91/556590991.db2.gz WDFJNWFCMMGFSO-MOSHPQCFSA-N 0 0 447.874 5.221 50 0 IKAARN CC(C)c1ccc(CN(Cc2nc(C(=O)N3CCCC3)co2)Cc2ccc(F)cc2)cc1 ZINC000036072385 556592167 /nfs/dbraw/zinc/59/21/67/556592167.db2.gz YHSBTEJURYCQPY-UHFFFAOYSA-N 0 0 435.543 5.376 50 0 IKAARN C[C@H]1CN(C(=O)/C=C/c2cccc(Cl)c2)[C@@H](C)CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000016226094 556592680 /nfs/dbraw/zinc/59/26/80/556592680.db2.gz LJADBZZIRPZWRT-YESGWAHASA-N 0 0 443.374 5.168 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016227060 556593118 /nfs/dbraw/zinc/59/31/18/556593118.db2.gz UJKKLPROTVDOIQ-UHFFFAOYSA-N 0 0 436.851 5.706 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1C ZINC000036105996 556593134 /nfs/dbraw/zinc/59/31/34/556593134.db2.gz FJYKJNSLZZWJHB-HXUWFJFHSA-N 0 0 436.621 6.397 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036105325 556593189 /nfs/dbraw/zinc/59/31/89/556593189.db2.gz KXEOWWUAFRFEGL-LJQANCHMSA-N 0 0 438.593 5.788 50 0 IKAARN Cc1cccc(NC(=S)NCc2cccc(CNC(=S)Nc3cccc(C)c3)c2)c1 ZINC000016237817 556593732 /nfs/dbraw/zinc/59/37/32/556593732.db2.gz ZTPGGPBZYZGSCL-UHFFFAOYSA-N 0 0 434.634 5.277 50 0 IKAARN Cc1nc(Cc2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cs1 ZINC000011104564 556595013 /nfs/dbraw/zinc/59/50/13/556595013.db2.gz KMJMNHRYLFSODW-IBGZPJMESA-N 0 0 440.525 5.037 50 0 IKAARN Cc1nc(Cc2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cs1 ZINC000011104569 556595079 /nfs/dbraw/zinc/59/50/79/556595079.db2.gz KMJMNHRYLFSODW-LJQANCHMSA-N 0 0 440.525 5.037 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248679 556595257 /nfs/dbraw/zinc/59/52/57/556595257.db2.gz UFDVNTFBOYYPJQ-SFHVURJKSA-N 0 0 443.540 5.416 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246792 556595287 /nfs/dbraw/zinc/59/52/87/556595287.db2.gz OZAAPPLBNZSFAQ-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2)c1C ZINC000032974525 556595792 /nfs/dbraw/zinc/59/57/92/556595792.db2.gz YUZLXQKPNULMCA-UHFFFAOYSA-N 0 0 435.524 5.051 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000032974888 556595999 /nfs/dbraw/zinc/59/59/99/556595999.db2.gz XGUVTTUVIPNZLO-UHFFFAOYSA-N 0 0 443.978 5.793 50 0 IKAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)Nc2ccc(F)cc2)c1 ZINC000032974977 556596835 /nfs/dbraw/zinc/59/68/35/556596835.db2.gz BWGUSVCERBRGCO-UHFFFAOYSA-N 0 0 445.494 5.267 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2cc1C ZINC000016284206 556597001 /nfs/dbraw/zinc/59/70/01/556597001.db2.gz USWFLJIENSPZJL-UHFFFAOYSA-N 0 0 434.923 6.561 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000016284393 556597241 /nfs/dbraw/zinc/59/72/41/556597241.db2.gz YSZQQVAZVQXANW-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@@H]3CCC[C@@H]32)cc1 ZINC000036377921 556597526 /nfs/dbraw/zinc/59/75/26/556597526.db2.gz QZEOZXJABDDEGH-IZEXYCQBSA-N 0 0 427.591 8.372 50 0 IKAARN COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCc2ccc(C)cc2)c1 ZINC000032975063 556597579 /nfs/dbraw/zinc/59/75/79/556597579.db2.gz RFSQANOOMCPGSG-UHFFFAOYSA-N 0 0 443.522 5.244 50 0 IKAARN Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@H]3CCC[C@H]32)cc1 ZINC000036377922 556597580 /nfs/dbraw/zinc/59/75/80/556597580.db2.gz QZEOZXJABDDEGH-GRKNLSHJSA-N 0 0 427.591 8.372 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000016286569 556597611 /nfs/dbraw/zinc/59/76/11/556597611.db2.gz ROXNUARAISSQDQ-UHFFFAOYSA-N 0 0 434.923 5.279 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)CC2)cc1 ZINC000016291922 556597969 /nfs/dbraw/zinc/59/79/69/556597969.db2.gz JWUNALHPMFABML-UHFFFAOYSA-N 0 0 449.554 5.363 50 0 IKAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000032975022 556598077 /nfs/dbraw/zinc/59/80/77/556598077.db2.gz HRRCNQSSICPUJF-UHFFFAOYSA-N 0 0 429.951 5.484 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000032975190 556598416 /nfs/dbraw/zinc/59/84/16/556598416.db2.gz YKDFWCHYUNQPHE-UHFFFAOYSA-N 0 0 435.286 5.594 50 0 IKAARN O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000016302524 556598913 /nfs/dbraw/zinc/59/89/13/556598913.db2.gz MUQLBCKFKYCYGT-UHFFFAOYSA-N 0 0 434.499 5.183 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)sc2ncn(C)c(=O)c12 ZINC000016303461 556599199 /nfs/dbraw/zinc/59/91/99/556599199.db2.gz LYHUWGDLGOPXRF-UHFFFAOYSA-N 0 0 425.897 5.001 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccccc2F)cc1 ZINC000016309868 556599246 /nfs/dbraw/zinc/59/92/46/556599246.db2.gz AMTWFSSVSOWJFD-UHFFFAOYSA-N 0 0 448.519 5.121 50 0 IKAARN Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(F)cc3)c2-c2ccccc2Cl)cc1 ZINC000016311685 556599820 /nfs/dbraw/zinc/59/98/20/556599820.db2.gz CTRKODJMASMHFY-UHFFFAOYSA-N 0 0 430.874 5.283 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(N5CCCCCC5)cc4)no3)CC2=O)cc1C ZINC000032975350 556599912 /nfs/dbraw/zinc/59/99/12/556599912.db2.gz JIZHZFUIQBWJRK-NRFANRHFSA-N 0 0 430.552 5.254 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 ZINC000016319558 556600105 /nfs/dbraw/zinc/60/01/05/556600105.db2.gz OFWQMMRXOGBWJN-HSZRJFAPSA-N 0 0 426.472 5.035 50 0 IKAARN O=C(c1ccccc1CSc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 ZINC000032975839 556600370 /nfs/dbraw/zinc/60/03/70/556600370.db2.gz PRROJYIBGSZGEI-UHFFFAOYSA-N 0 0 445.613 5.551 50 0 IKAARN COC(=O)c1sc(NC(=S)Nc2ccccc2-c2ccccc2)c(C(=O)OC)c1C ZINC000016345367 556601006 /nfs/dbraw/zinc/60/10/06/556601006.db2.gz KERQUIBVZQFMEK-UHFFFAOYSA-N 0 0 440.546 5.106 50 0 IKAARN COc1ccc(Nc2ccccc2NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 ZINC000032981891 556601475 /nfs/dbraw/zinc/60/14/75/556601475.db2.gz RDZPFDKFJCQIOE-UHFFFAOYSA-N 0 0 431.521 5.102 50 0 IKAARN C[C@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1Cc1ccc(Cl)cc1 ZINC000037356546 556601891 /nfs/dbraw/zinc/60/18/91/556601891.db2.gz WLIINLUMXWYXCQ-INIZCTEOSA-N 0 0 429.351 5.286 50 0 IKAARN Cc1ccc2cccc(NC(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)c2n1 ZINC000016348853 556602059 /nfs/dbraw/zinc/60/20/59/556602059.db2.gz MJHRXFHKJFXIIM-WYMLVPIESA-N 0 0 433.305 6.218 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983463 556602062 /nfs/dbraw/zinc/60/20/62/556602062.db2.gz NYEZEOJZQRTWBY-NHDPSOOVSA-N 0 0 439.298 5.295 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983836 556602570 /nfs/dbraw/zinc/60/25/70/556602570.db2.gz KHFLXPWZMJSUBZ-KQWNVCNZSA-N 0 0 432.907 5.075 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000016361635 556602715 /nfs/dbraw/zinc/60/27/15/556602715.db2.gz QFSKUSUOTQEJFM-UHFFFAOYSA-N 0 0 444.604 5.649 50 0 IKAARN CCC[C@@H](C(=O)NCc1ccco1)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037397231 556602750 /nfs/dbraw/zinc/60/27/50/556602750.db2.gz UURDOWSAWCANKS-QHCPKHFHSA-N 0 0 433.527 5.634 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000016362366 556603123 /nfs/dbraw/zinc/60/31/23/556603123.db2.gz KJNLAOLWLJRWIA-UHFFFAOYSA-N 0 0 434.923 6.841 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000032983632 556603692 /nfs/dbraw/zinc/60/36/92/556603692.db2.gz DTMPDTDGNRGUTG-MRXNPFEDSA-N 0 0 436.968 5.464 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000016381813 556603879 /nfs/dbraw/zinc/60/38/79/556603879.db2.gz LFKOBVVTRUOKHJ-UHFFFAOYSA-N 0 0 430.426 5.836 50 0 IKAARN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000016383962 556604271 /nfs/dbraw/zinc/60/42/71/556604271.db2.gz NHMSODQUXQAIEX-UHFFFAOYSA-N 0 0 449.315 5.151 50 0 IKAARN Cc1ccc(CN2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc43)CC2)cc1 ZINC000016392108 556604468 /nfs/dbraw/zinc/60/44/68/556604468.db2.gz XAULPPIBWLRBBL-UHFFFAOYSA-N 0 0 427.573 5.230 50 0 IKAARN COc1cccc(Oc2cc(C(F)(F)F)nc(SCc3ccccc3Cl)n2)c1 ZINC000037510072 556604479 /nfs/dbraw/zinc/60/44/79/556604479.db2.gz JWWNWRSFTNEEQG-UHFFFAOYSA-N 0 0 426.847 6.242 50 0 IKAARN CC(=O)c1ccc(Oc2cc(C(C)(C)C)nc(SCc3ccccc3Cl)n2)cc1 ZINC000037509907 556604555 /nfs/dbraw/zinc/60/45/55/556604555.db2.gz RMZADCUBPVDCPG-UHFFFAOYSA-N 0 0 426.969 6.715 50 0 IKAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2c1 ZINC000016392117 556604531 /nfs/dbraw/zinc/60/45/31/556604531.db2.gz OQVQVGBFIWMAAG-UHFFFAOYSA-N 0 0 437.478 5.241 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1c(-c2ccc(C(F)(F)F)cc2)noc1N1CCCCC1 ZINC000032985115 556604585 /nfs/dbraw/zinc/60/45/85/556604585.db2.gz LWFYBNHFVDDDLI-UHFFFAOYSA-N 0 0 449.860 6.256 50 0 IKAARN O=C(NCc1ccccc1F)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000016392673 556604764 /nfs/dbraw/zinc/60/47/64/556604764.db2.gz YLLVXAJLCZCYKP-UHFFFAOYSA-N 0 0 436.284 5.128 50 0 IKAARN Cc1cccc2c(C(=O)NCc3cccc(Br)c3)cc(-c3ccncc3)nc12 ZINC000016392462 556604819 /nfs/dbraw/zinc/60/48/19/556604819.db2.gz AWSDJZMMPDYHPU-UHFFFAOYSA-N 0 0 432.321 5.298 50 0 IKAARN COc1ccc(-c2cc(OCC(=O)Nc3cccc(SC)c3)c3ccccc3n2)cc1 ZINC000032985613 556605054 /nfs/dbraw/zinc/60/50/54/556605054.db2.gz UECZAJNWHIPSAB-UHFFFAOYSA-N 0 0 430.529 5.650 50 0 IKAARN COc1ccc(-c2cc(OCC(=O)Nc3cc(Cl)ccc3C)c3ccccc3n2)cc1 ZINC000032985615 556605102 /nfs/dbraw/zinc/60/51/02/556605102.db2.gz UJOUNVIALYCWNT-UHFFFAOYSA-N 0 0 432.907 5.890 50 0 IKAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)Nc1cccc(Br)c1 ZINC000032985703 556605257 /nfs/dbraw/zinc/60/52/57/556605257.db2.gz HHNUVQPIHFERHM-UHFFFAOYSA-N 0 0 433.305 5.682 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccc(C)cc3)c2c1 ZINC000032985754 556605274 /nfs/dbraw/zinc/60/52/74/556605274.db2.gz MUSWWZXWHCMXGS-UHFFFAOYSA-N 0 0 440.499 5.404 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000032985674 556605308 /nfs/dbraw/zinc/60/53/08/556605308.db2.gz UZTMATYJVNCNBT-UHFFFAOYSA-N 0 0 426.472 5.096 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC(=O)N3CCC[C@H](C)C3)c2c1 ZINC000032985850 556605459 /nfs/dbraw/zinc/60/54/59/556605459.db2.gz HZEUCEACFXHJDS-IBGZPJMESA-N 0 0 446.547 5.024 50 0 IKAARN CCc1c(C)sc(NC(=O)[C@]2(C)CC2(Cl)Cl)c1C(=O)Nc1ccccc1OC ZINC000016400374 556605533 /nfs/dbraw/zinc/60/55/33/556605533.db2.gz FPWKQTPHLCDXEI-IBGZPJMESA-N 0 0 441.380 5.402 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)cc(OCC)c3c2)cc1 ZINC000032986360 556605717 /nfs/dbraw/zinc/60/57/17/556605717.db2.gz RPVABHIKLJHSFQ-UHFFFAOYSA-N 0 0 440.499 5.730 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000016401355 556605752 /nfs/dbraw/zinc/60/57/52/556605752.db2.gz CLWFVZFENFYMLR-UHFFFAOYSA-N 0 0 431.706 6.636 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc21 ZINC000032986363 556605790 /nfs/dbraw/zinc/60/57/90/556605790.db2.gz LREAMJWRMXVBHL-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc3nc(-c4cccc(OC)c4)cc(OCC)c3c2)cc1 ZINC000032986507 556605938 /nfs/dbraw/zinc/60/59/38/556605938.db2.gz YJMMUFAGRZMZNO-UHFFFAOYSA-N 0 0 442.515 5.960 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000032986518 556606002 /nfs/dbraw/zinc/60/60/02/556606002.db2.gz RVIOWAUURJXPIM-UHFFFAOYSA-N 0 0 442.471 5.290 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc21 ZINC000032986487 556606101 /nfs/dbraw/zinc/60/61/01/556606101.db2.gz QOHVSAKPLQIHNC-UHFFFAOYSA-N 0 0 426.516 6.178 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000032986594 556606229 /nfs/dbraw/zinc/60/62/29/556606229.db2.gz PVVSEYRKRVXNOS-UHFFFAOYSA-N 0 0 430.935 6.823 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1c[nH]c2ccccc21 ZINC000016424981 556606266 /nfs/dbraw/zinc/60/62/66/556606266.db2.gz VKKYVDOQNSYZHJ-UHFFFAOYSA-N 0 0 430.558 5.376 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc21 ZINC000032986616 556606278 /nfs/dbraw/zinc/60/62/78/556606278.db2.gz SPPSYQIBRKXRDR-UHFFFAOYSA-N 0 0 444.962 7.330 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccc(F)cc3)cc21 ZINC000032986544 556606294 /nfs/dbraw/zinc/60/62/94/556606294.db2.gz YMRDAVGVQVYEAS-UHFFFAOYSA-N 0 0 430.479 5.378 50 0 IKAARN Cc1ccc(CN2[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986849 556606459 /nfs/dbraw/zinc/60/64/59/556606459.db2.gz IERNKFYKCMLKFP-NRFANRHFSA-N 0 0 432.467 5.329 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc21 ZINC000032986734 556606477 /nfs/dbraw/zinc/60/64/77/556606477.db2.gz OJOBULCMBLREFE-UHFFFAOYSA-N 0 0 439.515 5.820 50 0 IKAARN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016448034 556608216 /nfs/dbraw/zinc/60/82/16/556608216.db2.gz UNXPBXMRMQIECF-UHFFFAOYSA-N 0 0 430.213 5.634 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000016448351 556608500 /nfs/dbraw/zinc/60/85/00/556608500.db2.gz DWRBRNFAGNCEQJ-UHFFFAOYSA-N 0 0 436.577 5.536 50 0 IKAARN CCc1cc2c(ncnc2N2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)s1 ZINC000071890506 556608497 /nfs/dbraw/zinc/60/84/97/556608497.db2.gz CDSMQEFJBQYZSL-SFHVURJKSA-N 0 0 435.528 5.217 50 0 IKAARN COc1ccc(Cl)cc1CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000016448281 556608534 /nfs/dbraw/zinc/60/85/34/556608534.db2.gz DMRKGXDKHDLENW-UHFFFAOYSA-N 0 0 437.952 5.801 50 0 IKAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1ccccc1CSc1nc2ccccc2s1 ZINC000032988885 556608940 /nfs/dbraw/zinc/60/89/40/556608940.db2.gz ZMUVWHQQNDLNRL-UHFFFAOYSA-N 0 0 447.541 5.172 50 0 IKAARN O=C(NCc1cn2ccccc2n1)c1ccccc1CSc1nc2ccccc2s1 ZINC000032988902 556609040 /nfs/dbraw/zinc/60/90/40/556609040.db2.gz AMYMCSACAJDORI-UHFFFAOYSA-N 0 0 430.558 5.166 50 0 IKAARN C(=C/c1ccccc1)\CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000016450938 556609507 /nfs/dbraw/zinc/60/95/07/556609507.db2.gz ORKPAJJLRFADEX-SRLUVNLFSA-N 0 0 427.529 5.585 50 0 IKAARN CCOc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1OC ZINC000016475533 556610388 /nfs/dbraw/zinc/61/03/88/556610388.db2.gz UUQMDILIXPJCML-UHFFFAOYSA-N 0 0 449.429 5.124 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000032995653 556610944 /nfs/dbraw/zinc/61/09/44/556610944.db2.gz PVVSJVUAAAQEQM-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(C(C)C)cc4)cc3)nn2)cc1 ZINC000032995675 556610965 /nfs/dbraw/zinc/61/09/65/556610965.db2.gz QHVJZTBWPUPENW-UHFFFAOYSA-N 0 0 436.559 6.249 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1 ZINC000032995685 556610973 /nfs/dbraw/zinc/61/09/73/556610973.db2.gz TZBHZRZQLPGIET-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)cc1Cl ZINC000032996317 556611161 /nfs/dbraw/zinc/61/11/61/556611161.db2.gz HRXGWXBBSLLCBM-UHFFFAOYSA-N 0 0 428.876 5.319 50 0 IKAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000016492532 556612572 /nfs/dbraw/zinc/61/25/72/556612572.db2.gz QBXPVCLHXWGBQN-UHFFFAOYSA-N 0 0 439.462 6.046 50 0 IKAARN C[C@@H](O[C@H]1OCCN(Cc2ccccc2)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038400162 556612660 /nfs/dbraw/zinc/61/26/60/556612660.db2.gz KVPJNHLVRGUYGQ-BFUOFWGJSA-N 0 0 447.375 5.187 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1N1CCc2sccc2C1 ZINC000032915676 556612983 /nfs/dbraw/zinc/61/29/83/556612983.db2.gz CKUZGNIWDDVBAY-UHFFFAOYSA-N 0 0 429.545 5.455 50 0 IKAARN COc1ccccc1[C@@H](Nc1cc(C)ccn1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546921 556613665 /nfs/dbraw/zinc/61/36/65/556613665.db2.gz MQHMMANIHSNKHH-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)Nc1cccc(Br)c1 ZINC000013496885 556613689 /nfs/dbraw/zinc/61/36/89/556613689.db2.gz TYCLWAZPQAEZEO-IBGZPJMESA-N 0 0 430.346 5.192 50 0 IKAARN COc1cc(CNC(=O)c2cc(-c3cccs3)on2)ccc1OCc1ccccc1F ZINC000072427736 556613914 /nfs/dbraw/zinc/61/39/14/556613914.db2.gz HHOYFDOLGDCKFC-UHFFFAOYSA-N 0 0 438.480 5.060 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccccn1)CCCC2)c1ccco1 ZINC000038547396 556613933 /nfs/dbraw/zinc/61/39/33/556613933.db2.gz HFYDHYAPLYLHQD-JOCHJYFZSA-N 0 0 430.533 5.464 50 0 IKAARN CSc1ccc([C@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547014 556613956 /nfs/dbraw/zinc/61/39/56/556613956.db2.gz IKVZGTDWIBFNMN-QFIPXVFZSA-N 0 0 449.601 6.529 50 0 IKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546941 556613988 /nfs/dbraw/zinc/61/39/88/556613988.db2.gz KOJWJPUCXMKIRO-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546955 556614047 /nfs/dbraw/zinc/61/40/47/556614047.db2.gz PIDPWWQKEFSWAY-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN COc1ccccc1[C@@H](Nc1cc(C)ccn1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000038550993 556614300 /nfs/dbraw/zinc/61/43/00/556614300.db2.gz AVLFZSOEOVVAMD-XMMPIXPASA-N 0 0 443.572 6.222 50 0 IKAARN CSc1ccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000038550575 556614321 /nfs/dbraw/zinc/61/43/21/556614321.db2.gz BDXILKVFYDAWKR-HSZRJFAPSA-N 0 0 445.613 6.627 50 0 IKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551005 556614360 /nfs/dbraw/zinc/61/43/60/556614360.db2.gz JZJYCINPOPYBCD-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1cccc(F)c1)CCCC2)c1ccco1 ZINC000038550628 556614384 /nfs/dbraw/zinc/61/43/84/556614384.db2.gz XGXWUFXLMIJVLU-HSZRJFAPSA-N 0 0 447.535 6.208 50 0 IKAARN Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)n1 ZINC000038547404 556614390 /nfs/dbraw/zinc/61/43/90/556614390.db2.gz LCNPJHUIYZXNNF-HSZRJFAPSA-N 0 0 444.560 5.772 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000016545509 556614592 /nfs/dbraw/zinc/61/45/92/556614592.db2.gz WWGODCKZFPTLTC-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551011 556614590 /nfs/dbraw/zinc/61/45/90/556614590.db2.gz JUDYNLKQLXDUQO-QHCPKHFHSA-N 0 0 431.536 6.353 50 0 IKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551009 556614624 /nfs/dbraw/zinc/61/46/24/556614624.db2.gz HDFBDZAQOUQGHE-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN O=C(COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)OCc1ccccc1 ZINC000038600102 556614995 /nfs/dbraw/zinc/61/49/95/556614995.db2.gz RLKZSYGBKCIRFJ-UHFFFAOYSA-N 0 0 444.314 5.566 50 0 in-vitro IKAARN CC(C)OC(=O)c1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000016575512 556615824 /nfs/dbraw/zinc/61/58/24/556615824.db2.gz YGFZXGKLPHUBPY-UHFFFAOYSA-N 0 0 445.755 5.339 50 0 IKAARN CC(Cl)(Cl)C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000033656041 556618700 /nfs/dbraw/zinc/61/87/00/556618700.db2.gz QCAPEQMYXLSBQU-DTJQMVJJSA-N 0 0 449.328 6.282 50 0 IKAARN CCCCC(=O)Nc1cccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 ZINC000016637587 556619294 /nfs/dbraw/zinc/61/92/94/556619294.db2.gz YATWTRWASCQBQN-UHFFFAOYSA-N 0 0 428.529 5.264 50 0 IKAARN Cc1cc(N[C@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 ZINC000033678727 556621053 /nfs/dbraw/zinc/62/10/53/556621053.db2.gz YUUIRIHCCSBENU-BPGGGUHBSA-N 0 0 426.772 5.278 50 0 IKAARN COc1ccc(NC(=O)OCCOc2c(Cl)cc(Cl)cc2Cl)cc1Cl ZINC000016662603 556621228 /nfs/dbraw/zinc/62/12/28/556621228.db2.gz XRKJXJQLWVSBNK-UHFFFAOYSA-N 0 0 425.095 5.936 50 0 IKAARN COc1cc2c(cc1OC)C1(CCOCC1)CN=C2CC(c1ccccc1)c1ccccc1 ZINC000016671113 556621521 /nfs/dbraw/zinc/62/15/21/556621521.db2.gz JVDZQWFGQWUFLS-UHFFFAOYSA-N 0 0 441.571 5.777 50 0 IKAARN COc1ccccc1/C=C/CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(F)c1 ZINC000016671575 556621528 /nfs/dbraw/zinc/62/15/28/556621528.db2.gz IDTROOXJTQUDBU-ACMAXOTASA-N 0 0 433.523 5.512 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000016667607 556621541 /nfs/dbraw/zinc/62/15/41/556621541.db2.gz MHBYAXFMRCZVKG-RUZDIDTESA-N 0 0 444.003 7.436 50 0 IKAARN Cc1ccc2nc(COc3ccc(C(=O)N[C@@H]4CCSc5ccccc54)cc3)cn2c1 ZINC000011703823 556621746 /nfs/dbraw/zinc/62/17/46/556621746.db2.gz UAQWKBSCKBRATJ-JOCHJYFZSA-N 0 0 429.545 5.189 50 0 IKAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1O ZINC000016672186 556621942 /nfs/dbraw/zinc/62/19/42/556621942.db2.gz VFLPLVCTYRBKSG-VWLOTQADSA-N 0 0 439.939 5.219 50 0 IKAARN COc1ccccc1/C=C/CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000016672202 556622032 /nfs/dbraw/zinc/62/20/32/556622032.db2.gz HYCPQZQYKGCJMT-ACMAXOTASA-N 0 0 449.978 6.027 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C/C(C)=C/c1ccccc1)CC2 ZINC000016672192 556622044 /nfs/dbraw/zinc/62/20/44/556622044.db2.gz PIELDJLKGZCLNU-OLNBYHENSA-N 0 0 433.979 6.408 50 0 IKAARN CCOc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000016672180 556622102 /nfs/dbraw/zinc/62/21/02/556622102.db2.gz ZDEMKRSXFDGTEE-AREMUKBSSA-N 0 0 437.967 5.904 50 0 IKAARN COc1ccccc1[C@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@H](C(C)C)C1 ZINC000005033391 556623218 /nfs/dbraw/zinc/62/32/18/556623218.db2.gz BDEBULATKWBYRH-IZZNHLLZSA-N 0 0 427.560 5.346 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4)cc3n2)c(C)c1 ZINC000016678414 556623226 /nfs/dbraw/zinc/62/32/26/556623226.db2.gz FGMNXMFNTJLJKI-UHFFFAOYSA-N 0 0 427.552 5.444 50 0 IKAARN Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1-c1nc2ncccc2o1 ZINC000009783035 556623453 /nfs/dbraw/zinc/62/34/53/556623453.db2.gz NMXAIVURVDYTBF-UHFFFAOYSA-N 0 0 435.483 6.030 50 0 IKAARN O=C(N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl)[C@@H](c1ccccc1)N1CCC1=O ZINC000033710670 556625388 /nfs/dbraw/zinc/62/53/88/556625388.db2.gz MKOWFOUHENVFRT-DHIUTWEWSA-N 0 0 439.342 5.173 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(-n2nc(Sc3ccc(C)cc3)ccc2=O)cc1 ZINC000032998988 556627051 /nfs/dbraw/zinc/62/70/51/556627051.db2.gz WLSNANWWNKZZSW-UHFFFAOYSA-N 0 0 441.556 5.507 50 0 IKAARN Cc1cccc(CSc2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 ZINC000005047089 556627150 /nfs/dbraw/zinc/62/71/50/556627150.db2.gz ICZXFVRJGVNCIX-IBGZPJMESA-N 0 0 425.554 5.479 50 0 IKAARN CCOc1ccc(OCC)c(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 ZINC000016689319 556627353 /nfs/dbraw/zinc/62/73/53/556627353.db2.gz IZZHQRWERMJTAH-UHFFFAOYSA-N 0 0 443.975 5.363 50 0 IKAARN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)O2)cc1 ZINC000033726785 556627357 /nfs/dbraw/zinc/62/73/57/556627357.db2.gz BZNXKKAZUSTNJR-HMAPJEAMSA-N 0 0 447.462 5.157 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000016694937 556628196 /nfs/dbraw/zinc/62/81/96/556628196.db2.gz RFZNBOLSKBZJLM-CQSZACIVSA-N 0 0 444.482 5.071 50 0 IKAARN c1csc(-c2cc(-c3nn4c(CN5CCCCC5)nnc4s3)c3ccccc3n2)c1 ZINC000039389281 556628460 /nfs/dbraw/zinc/62/84/60/556628460.db2.gz PEWQHJJMOCWUHQ-UHFFFAOYSA-N 0 0 432.578 5.115 50 0 IKAARN CSCC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2[nH]1 ZINC000016695589 556628831 /nfs/dbraw/zinc/62/88/31/556628831.db2.gz RRGSTQCIFZBAEK-SFHVURJKSA-N 0 0 425.941 5.701 50 0 IKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@@H]4C[C@H]4c4ccccc4)CC3)cc2)c1 ZINC000039460728 556629118 /nfs/dbraw/zinc/62/91/18/556629118.db2.gz BQMUHOXYGUYLBA-RRPNLBNLSA-N 0 0 438.571 5.643 50 0 IKAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1 ZINC000033741054 556629288 /nfs/dbraw/zinc/62/92/88/556629288.db2.gz TUXVUARXVRRILH-JOCHJYFZSA-N 0 0 446.591 5.409 50 0 IKAARN O=C(OCc1csc(-c2ccccn2)n1)C1(c2ccc(Br)cc2)CCC1 ZINC000061388420 556629306 /nfs/dbraw/zinc/62/93/06/556629306.db2.gz UMGVMJGGFPTAKH-UHFFFAOYSA-N 0 0 429.339 5.133 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cc2ccccc2o1 ZINC000039752421 556629857 /nfs/dbraw/zinc/62/98/57/556629857.db2.gz WLVNJAJVYWMLBZ-UHFFFAOYSA-N 0 0 444.919 5.796 50 0 IKAARN CCCNC(=O)[C@@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc32)n1C ZINC000016731673 556631402 /nfs/dbraw/zinc/63/14/02/556631402.db2.gz XSVVCLSRFOOMES-QGZVFWFLSA-N 0 0 445.592 5.013 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016736075 556633260 /nfs/dbraw/zinc/63/32/60/556633260.db2.gz BACXUSJBXUQDJB-HSZRJFAPSA-N 0 0 426.472 5.117 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ccccn1 ZINC000016736038 556633288 /nfs/dbraw/zinc/63/32/88/556633288.db2.gz NDXOVLVPXAWXLZ-RUZDIDTESA-N 0 0 446.462 5.730 50 0 IKAARN Cc1cccnc1N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000016736371 556633297 /nfs/dbraw/zinc/63/32/97/556633297.db2.gz RGKADQYFWIDCHW-LJQANCHMSA-N 0 0 447.288 5.009 50 0 IKAARN CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000016736041 556633325 /nfs/dbraw/zinc/63/33/25/556633325.db2.gz DNSJRRPABIIHEX-DEOSSOPVSA-N 0 0 440.499 5.507 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Br)c2)nc1 ZINC000016737321 556634008 /nfs/dbraw/zinc/63/40/08/556634008.db2.gz MORLOXRRPDDXDS-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NCc1ccccc1 ZINC000033778724 556634014 /nfs/dbraw/zinc/63/40/14/556634014.db2.gz BTCWHYYKNBWPFV-UHFFFAOYSA-N 0 0 444.918 5.337 50 0 IKAARN O=C(/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1 ZINC000016740110 556634253 /nfs/dbraw/zinc/63/42/53/556634253.db2.gz QYORWCSPODCLOY-ZNTNEXAZSA-N 0 0 435.346 5.709 50 0 IKAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3ccc(C)c(F)c3)C2)cc1 ZINC000097938703 556634940 /nfs/dbraw/zinc/63/49/40/556634940.db2.gz QGQIDARPGLETQV-LJQANCHMSA-N 0 0 445.498 5.033 50 0 IKAARN CCCCC1CCC(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000016741750 556635517 /nfs/dbraw/zinc/63/55/17/556635517.db2.gz IFNRTZNOGRXBSY-VZYOYLOZSA-N 0 0 433.658 5.322 50 0 IKAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 ZINC000016742085 556635978 /nfs/dbraw/zinc/63/59/78/556635978.db2.gz VUPBFAVRJCVLST-DEOSSOPVSA-N 0 0 440.499 5.425 50 0 IKAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016742100 556636083 /nfs/dbraw/zinc/63/60/83/556636083.db2.gz YAWQNBCIINKXBO-DEOSSOPVSA-N 0 0 441.483 5.167 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H]1c3cnn(-c4ccccc4)c3OC(C)(C)[C@@H]1CS2 ZINC000033800531 556636701 /nfs/dbraw/zinc/63/67/01/556636701.db2.gz QSGYPIOMMSUDJY-IFMALSPDSA-N 0 0 428.561 5.391 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 ZINC000016750880 556637310 /nfs/dbraw/zinc/63/73/10/556637310.db2.gz AFGLTXSYVLZWBU-UHFFFAOYSA-N 0 0 438.823 5.638 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OCC)c1 ZINC000016751119 556637380 /nfs/dbraw/zinc/63/73/80/556637380.db2.gz YPIHILZJISDGLO-XMMPIXPASA-N 0 0 449.547 5.572 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1OCC ZINC000016751937 556637514 /nfs/dbraw/zinc/63/75/14/556637514.db2.gz GAAMYJWNMPSEPA-DEOSSOPVSA-N 0 0 449.547 5.716 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000016751997 556637834 /nfs/dbraw/zinc/63/78/34/556637834.db2.gz QBVIEUQWTDPBAX-DEOSSOPVSA-N 0 0 449.547 5.572 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016752447 556637891 /nfs/dbraw/zinc/63/78/91/556637891.db2.gz XIKFNUOIXULOQY-XMMPIXPASA-N 0 0 425.484 5.327 50 0 IKAARN O=C(Nc1ncc(CCNc2ncnc3ccsc32)s1)Nc1cccc(Cl)c1 ZINC000040393428 556638406 /nfs/dbraw/zinc/63/84/06/556638406.db2.gz FAYAUAZLLLJJGH-UHFFFAOYSA-N 0 0 430.946 5.100 50 0 investigational IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(Oc2ccccc2)cc1 ZINC000016755619 556639087 /nfs/dbraw/zinc/63/90/87/556639087.db2.gz ISPMUKHDVHAFEH-UHFFFAOYSA-N 0 0 447.585 6.093 50 0 IKAARN COc1cc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc(OC)c1OC ZINC000016758709 556639750 /nfs/dbraw/zinc/63/97/50/556639750.db2.gz GLTVCNKJBXASDQ-GAJHUEQPSA-N 0 0 440.883 5.201 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nnc2sc3ccccc3n12 ZINC000016763471 556639821 /nfs/dbraw/zinc/63/98/21/556639821.db2.gz LAWHQZXGGQUKOG-NSHDSACASA-N 0 0 432.958 5.034 50 0 IKAARN O=C(OC[C@H]1[C@@H](COC(=O)c2ccccc2Cl)C1(Cl)Cl)c1ccccc1Cl ZINC000016771211 556640301 /nfs/dbraw/zinc/64/03/01/556640301.db2.gz ZXIGIRHSXSWKBO-OKILXGFUSA-N 0 0 448.129 5.427 50 0 IKAARN Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)Nc3cccc(C)c3C)c2=S)c1 ZINC000016769750 556640394 /nfs/dbraw/zinc/64/03/94/556640394.db2.gz WOFSAGJHQVCCLP-UHFFFAOYSA-N 0 0 442.588 5.943 50 0 IKAARN CCOc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccc2)cc1 ZINC000016788738 556641911 /nfs/dbraw/zinc/64/19/11/556641911.db2.gz XQHLQUKOUDLFPU-UHFFFAOYSA-N 0 0 427.533 5.502 50 0 IKAARN Cc1cccc(C(=O)N[C@H](Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000016790948 556642780 /nfs/dbraw/zinc/64/27/80/556642780.db2.gz QPQFRXJMDBBAPZ-HNNXBMFYSA-N 0 0 436.564 5.296 50 0 IKAARN CN1c2ccccc2C(C)(C)/C1=C/C(/C=C1\N(C)c2ccccc2C1(C)C)c1ccccc1 ZINC000100673201 556642811 /nfs/dbraw/zinc/64/28/11/556642811.db2.gz NJLQAHUMWXURBG-FJWSNAJBSA-N 0 0 434.627 7.393 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1Cc1ccccc1F ZINC000037575752 556643545 /nfs/dbraw/zinc/64/35/45/556643545.db2.gz ZHMUYFRMFOFEHJ-IBGZPJMESA-N 0 0 449.444 5.586 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Oc5ccc(F)cc5)cc4)no3)CC2=O)cc1 ZINC000040454669 556643658 /nfs/dbraw/zinc/64/36/58/556643658.db2.gz AEXSUAISKVBGEC-SFHVURJKSA-N 0 0 429.451 5.497 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1Cc1ccccc1 ZINC000037576348 556643857 /nfs/dbraw/zinc/64/38/57/556643857.db2.gz ZVVNKISGZRDXAX-NRFANRHFSA-N 0 0 445.481 5.695 50 0 IKAARN COP(=O)(OC)c1nc(Cc2cccc3ccccc32)oc1NCCc1ccccc1 ZINC000016806405 556644175 /nfs/dbraw/zinc/64/41/75/556644175.db2.gz SGABDYABBWLHSE-UHFFFAOYSA-N 0 0 436.448 5.184 50 0 IKAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccccc3)cc2)c1 ZINC000037555429 556644416 /nfs/dbraw/zinc/64/44/16/556644416.db2.gz WBDCATUXXRZKJK-UHFFFAOYSA-N 0 0 438.527 5.294 50 0 IKAARN S=c1n(CCc2ccccc2)c2ccccc2n1C1c2ccccc2Oc2ccccc21 ZINC000040545368 556644413 /nfs/dbraw/zinc/64/44/13/556644413.db2.gz XWKCOBMHGJHZQR-UHFFFAOYSA-N 0 0 434.564 7.158 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NCc1ccccc1 ZINC000037555725 556644432 /nfs/dbraw/zinc/64/44/32/556644432.db2.gz JNWNMFCQUNIVLI-UHFFFAOYSA-N 0 0 434.539 5.393 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3C)C(=O)CC(C)C)cc2)c1 ZINC000037555892 556644704 /nfs/dbraw/zinc/64/47/04/556644704.db2.gz RFGMRDWNPJXUML-UHFFFAOYSA-N 0 0 428.576 6.064 50 0 IKAARN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)NCc2ccco2)cc1 ZINC000037556220 556645033 /nfs/dbraw/zinc/64/50/33/556645033.db2.gz DSVFADCXXZIXNP-UHFFFAOYSA-N 0 0 444.556 5.355 50 0 IKAARN c1csc(-c2nc(CSc3nnc(-c4nnc(-c5ccccc5)o4)o3)cs2)c1 ZINC000032922491 556645245 /nfs/dbraw/zinc/64/52/45/556645245.db2.gz PBBPZXNXFLJOLA-UHFFFAOYSA-N 0 0 425.520 5.264 50 0 IKAARN Cc1cccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000037557359 556645235 /nfs/dbraw/zinc/64/52/35/556645235.db2.gz FFXAKHLDOOLOFQ-SAPNQHFASA-N 0 0 438.571 5.407 50 0 IKAARN COc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1 ZINC000016840609 556645459 /nfs/dbraw/zinc/64/54/59/556645459.db2.gz ZGNDYTGHSBMTOX-UHFFFAOYSA-N 0 0 440.528 5.289 50 0 IKAARN CCOc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4C)c3C)n2)cc1Cl ZINC000016840406 556645541 /nfs/dbraw/zinc/64/55/41/556645541.db2.gz VKJLSPPKVMNGEX-UHFFFAOYSA-N 0 0 428.920 5.866 50 0 IKAARN COc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)NC(C)C)c2)cc1 ZINC000037600475 556645930 /nfs/dbraw/zinc/64/59/30/556645930.db2.gz XKVLPRFBKZYZCE-UHFFFAOYSA-N 0 0 449.526 5.140 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(CC)cc4)cc23)cc1 ZINC000016841666 556646089 /nfs/dbraw/zinc/64/60/89/556646089.db2.gz XVUAMCQDVSPPBZ-UHFFFAOYSA-N 0 0 432.549 5.088 50 0 IKAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1 ZINC000016841645 556646100 /nfs/dbraw/zinc/64/61/00/556646100.db2.gz VUPHPEMMHFLECD-UHFFFAOYSA-N 0 0 436.968 5.651 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000037601045 556646133 /nfs/dbraw/zinc/64/61/33/556646133.db2.gz OJITYWGIIPERBJ-UHFFFAOYSA-N 0 0 440.587 5.611 50 0 IKAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(SC)c4)nccn3n2)cc1 ZINC000016841690 556646155 /nfs/dbraw/zinc/64/61/55/556646155.db2.gz FLHIWLFNIVCKTN-UHFFFAOYSA-N 0 0 434.590 5.411 50 0 IKAARN CCCN(C)C(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)c2ccccc2C)c1 ZINC000037601777 556646411 /nfs/dbraw/zinc/64/64/11/556646411.db2.gz UZAAGZSRJUTYIM-UHFFFAOYSA-N 0 0 428.576 5.561 50 0 IKAARN CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(C)cc3)nccn2n1 ZINC000016842371 556646395 /nfs/dbraw/zinc/64/63/95/556646395.db2.gz QRIGAPAPCMSJFG-UHFFFAOYSA-N 0 0 446.576 5.614 50 0 IKAARN COc1ccc(C2=C(Oc3ccc(Cl)cc3Cl)c3ccc(OC)cc3[S@]2=O)cc1 ZINC000247931131 556646703 /nfs/dbraw/zinc/64/67/03/556646703.db2.gz FUDLKRUDIGYXJQ-GDLZYMKVSA-N 0 0 447.339 6.037 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2CC)cc1 ZINC000016845132 556646856 /nfs/dbraw/zinc/64/68/56/556646856.db2.gz GNTDGLGIDYYLRD-UHFFFAOYSA-N 0 0 449.601 5.438 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845122 556646860 /nfs/dbraw/zinc/64/68/60/556646860.db2.gz CEIRGSLGTGDJSD-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2cccc(C)c2)n(C)c3=O)cc1 ZINC000016846054 556646870 /nfs/dbraw/zinc/64/68/70/556646870.db2.gz NTJWUMXPHOIVAV-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cc(C)cc(C)c3)n2)c1 ZINC000016846484 556647078 /nfs/dbraw/zinc/64/70/78/556647078.db2.gz GZGKJGLCPURGOJ-UHFFFAOYSA-N 0 0 439.562 5.215 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)cc1C ZINC000016846459 556647119 /nfs/dbraw/zinc/64/71/19/556647119.db2.gz IOACYXIBTQNTQM-UHFFFAOYSA-N 0 0 439.562 5.215 50 0 IKAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(C)c3)n2)c1 ZINC000016846462 556647129 /nfs/dbraw/zinc/64/71/29/556647129.db2.gz CQBMMCJSCNJKDT-UHFFFAOYSA-N 0 0 439.562 5.215 50 0 IKAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000016846582 556647366 /nfs/dbraw/zinc/64/73/66/556647366.db2.gz PXGJNAIVKISGQE-UHFFFAOYSA-N 0 0 449.916 5.083 50 0 IKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)cc1 ZINC000038486906 556647401 /nfs/dbraw/zinc/64/74/01/556647401.db2.gz CAFQTRCSGMMNJQ-UHFFFAOYSA-N 0 0 425.517 5.741 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3cc(C)ccc3C)CC2=O)c1 ZINC000016902531 556648463 /nfs/dbraw/zinc/64/84/63/556648463.db2.gz XHJDLLZWCCGNJC-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1C)CC2 ZINC000011726248 556648781 /nfs/dbraw/zinc/64/87/81/556648781.db2.gz LFFIMUNTVYQGJW-VWLOTQADSA-N 0 0 445.559 5.448 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1C)CC2 ZINC000011726249 556648856 /nfs/dbraw/zinc/64/88/56/556648856.db2.gz LFFIMUNTVYQGJW-RUZDIDTESA-N 0 0 445.559 5.448 50 0 IKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000016944767 556649612 /nfs/dbraw/zinc/64/96/12/556649612.db2.gz NXKUFSARUJPRDU-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN COc1ccc2c(CC(=O)N[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1 ZINC000032925155 556649814 /nfs/dbraw/zinc/64/98/14/556649814.db2.gz SCQPOBDCIHNKOW-KRWDZBQOSA-N 0 0 428.488 5.114 50 0 IKAARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c1 ZINC000016956498 556650440 /nfs/dbraw/zinc/65/04/40/556650440.db2.gz IHRGYHRDNJEIJP-ZHZULCJRSA-N 0 0 435.574 6.047 50 0 IKAARN O=S(=O)(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Cl)cc1 ZINC000011758706 556651384 /nfs/dbraw/zinc/65/13/84/556651384.db2.gz LPWWABMPNMLMNJ-UHFFFAOYSA-N 0 0 446.903 5.003 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccc(Br)cc1 ZINC000011757688 556651783 /nfs/dbraw/zinc/65/17/83/556651783.db2.gz VYQLNYZONPDKBS-UHFFFAOYSA-N 0 0 443.288 5.213 50 0 IKAARN COCCn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1c[nH]c2ccccc21 ZINC000011758034 556652031 /nfs/dbraw/zinc/65/20/31/556652031.db2.gz SQOSSVIUAZNFER-UHFFFAOYSA-N 0 0 440.572 5.955 50 0 IKAARN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)ccc21 ZINC000040977160 556652277 /nfs/dbraw/zinc/65/22/77/556652277.db2.gz KUMKLUDNETVLDS-UHFFFAOYSA-N 0 0 434.624 6.014 50 0 in-vitro IKAARN Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C1SC(=S)NC1=O ZINC000016995516 556652396 /nfs/dbraw/zinc/65/23/96/556652396.db2.gz ADPMKYRATMXDRA-MTJSOVHGSA-N 0 0 449.601 6.212 50 0 IKAARN Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C1SC(=S)NC1=O ZINC000017015928 556653054 /nfs/dbraw/zinc/65/30/54/556653054.db2.gz KBJAQLMPKAXCQQ-NDENLUEZSA-N 0 0 435.574 5.964 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc3S2)cc1 ZINC000017025806 556653296 /nfs/dbraw/zinc/65/32/96/556653296.db2.gz KEPUUWRZTJYOJU-XMMPIXPASA-N 0 0 446.572 5.521 50 0 IKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017027213 556653600 /nfs/dbraw/zinc/65/36/00/556653600.db2.gz CUUGTDRTVUCLIM-HSZRJFAPSA-N 0 0 448.885 5.024 50 0 IKAARN Cc1ccccc1N1C(=O)c2ccccc2C(=CNc2ccc(Br)cc2)C1=O ZINC000101075691 556653789 /nfs/dbraw/zinc/65/37/89/556653789.db2.gz DVLCOJYJKVNSRD-ZHZULCJRSA-N 0 0 433.305 5.398 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccccc1Cl ZINC000033000617 556653992 /nfs/dbraw/zinc/65/39/92/556653992.db2.gz CWDDUQZHQGDSDT-UHFFFAOYSA-N 0 0 443.937 5.526 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000017044796 556654068 /nfs/dbraw/zinc/65/40/68/556654068.db2.gz YUVMXIVYAMLOLR-UHFFFAOYSA-N 0 0 448.162 6.387 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccc(NC(=O)c3ccco3)cc2s1 ZINC000033000327 556654296 /nfs/dbraw/zinc/65/42/96/556654296.db2.gz HSUWYBWEMHJMPI-CQSZACIVSA-N 0 0 449.557 5.212 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 ZINC000017051556 556654401 /nfs/dbraw/zinc/65/44/01/556654401.db2.gz SKWSFLNMJQPJDL-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 ZINC000033004207 556654807 /nfs/dbraw/zinc/65/48/07/556654807.db2.gz IOCTVOKLRKKKEB-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(-n2nc(C)c(CCC(C)C)c2C)n1 ZINC000033004591 556654820 /nfs/dbraw/zinc/65/48/20/556654820.db2.gz OFUXNDGUEDFQMA-UHFFFAOYSA-N 0 0 447.004 5.377 50 0 IKAARN O=C(CCCSCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000010618813 556655196 /nfs/dbraw/zinc/65/51/96/556655196.db2.gz GWPPXWIRQSHBOC-UHFFFAOYSA-N 0 0 426.563 5.233 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000033009187 556656523 /nfs/dbraw/zinc/65/65/23/556656523.db2.gz SCGILHULDJCADX-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000033009183 556656528 /nfs/dbraw/zinc/65/65/28/556656528.db2.gz YODPUECFVXDEIR-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN O=C(C[C@H]1Nc2cccc3cccc(c32)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017084875 556656858 /nfs/dbraw/zinc/65/68/58/556656858.db2.gz GBTDVWCUDURXHF-QGZVFWFLSA-N 0 0 433.817 5.273 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2Br)N3)C1 ZINC000017085967 556657055 /nfs/dbraw/zinc/65/70/55/556657055.db2.gz CMQOLSZFFMRCEE-DYZYQPBXSA-N 0 0 435.387 5.221 50 0 IKAARN CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)C)C3 ZINC000017085908 556657089 /nfs/dbraw/zinc/65/70/89/556657089.db2.gz JABBVOCCRBNMAF-HJPURHCSSA-N 0 0 434.605 6.305 50 0 IKAARN CCCC(CCC)C(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 ZINC000011797094 556657087 /nfs/dbraw/zinc/65/70/87/556657087.db2.gz OZGBUEDGPHRLGO-UHFFFAOYSA-N 0 0 438.597 6.137 50 0 IKAARN CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)C)C3 ZINC000017085909 556657169 /nfs/dbraw/zinc/65/71/69/556657169.db2.gz JABBVOCCRBNMAF-QMHKHESXSA-N 0 0 434.605 6.305 50 0 IKAARN Cc1cc(NC(=O)Nc2ccc(C)c(C)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008342 556657190 /nfs/dbraw/zinc/65/71/90/556657190.db2.gz RZFYYCZBIJBBAL-UHFFFAOYSA-N 0 0 430.533 6.118 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(C)cc3)ccc2N2CCCC2)cc1 ZINC000033009338 556657428 /nfs/dbraw/zinc/65/74/28/556657428.db2.gz RBUXZUZNFQRLEU-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN CSc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c1 ZINC000033009493 556657657 /nfs/dbraw/zinc/65/76/57/556657657.db2.gz NGXCXGNNILLTRD-UHFFFAOYSA-N 0 0 446.576 5.905 50 0 IKAARN Cc1cccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc(-c3ccccc3)nc12 ZINC000017094472 556657634 /nfs/dbraw/zinc/65/76/34/556657634.db2.gz BJIZGDJCNVTGHV-UHFFFAOYSA-N 0 0 425.507 5.312 50 0 IKAARN COc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1 ZINC000033009427 556657692 /nfs/dbraw/zinc/65/76/92/556657692.db2.gz SWDJZSTXCIVXQE-UHFFFAOYSA-N 0 0 430.508 5.192 50 0 IKAARN O=C(Nc1ccccc1F)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCC1 ZINC000033009623 556657700 /nfs/dbraw/zinc/65/77/00/556657700.db2.gz SESUFSJXNCCBSE-UHFFFAOYSA-N 0 0 432.499 5.712 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)Nc2nc3ccc(OC)cc3s2)cs1 ZINC000011807131 556657723 /nfs/dbraw/zinc/65/77/23/556657723.db2.gz QHPMAJVNYKSJJP-UHFFFAOYSA-N 0 0 425.535 5.008 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)cc1 ZINC000017094815 556657891 /nfs/dbraw/zinc/65/78/91/556657891.db2.gz ZRYSXGBPLXAMCP-UHFFFAOYSA-N 0 0 426.472 5.339 50 0 IKAARN COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCC1 ZINC000033009746 556657953 /nfs/dbraw/zinc/65/79/53/556657953.db2.gz NLTIDOBFJONUAW-UHFFFAOYSA-N 0 0 448.498 5.331 50 0 IKAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1)c1ccc(C)cc1 ZINC000011809982 556658223 /nfs/dbraw/zinc/65/82/23/556658223.db2.gz NIQCLJZXUMNTGR-FQEVSTJZSA-N 0 0 432.549 5.114 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1Cl ZINC000033010483 556658357 /nfs/dbraw/zinc/65/83/57/556658357.db2.gz KXGDWMSNRXOFDQ-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccc(OC)cc1 ZINC000017095043 556658373 /nfs/dbraw/zinc/65/83/73/556658373.db2.gz JNNFBPCMTPMHHF-UHFFFAOYSA-N 0 0 426.563 5.087 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010536 556658382 /nfs/dbraw/zinc/65/83/82/556658382.db2.gz LMJMMDUWRFDXEK-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010520 556658392 /nfs/dbraw/zinc/65/83/92/556658392.db2.gz IDARHSSMAZQCEV-DEOSSOPVSA-N 0 0 438.506 5.834 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCc4ccc(C(C)C)cc4)c3)ncn2)c1 ZINC000033010499 556658407 /nfs/dbraw/zinc/65/84/07/556658407.db2.gz YGORDOBVSDRZSG-UHFFFAOYSA-N 0 0 436.559 6.249 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1 ZINC000017095173 556658661 /nfs/dbraw/zinc/65/86/61/556658661.db2.gz QHGMWTXYEUUCGX-UHFFFAOYSA-N 0 0 426.903 7.171 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1Cl ZINC000033010645 556658655 /nfs/dbraw/zinc/65/86/55/556658655.db2.gz PIXCESHPWXOAIO-UHFFFAOYSA-N 0 0 430.895 5.802 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N[C@H](C)CCc4ccccc4)c3)ncn2)cc1 ZINC000033010593 556658717 /nfs/dbraw/zinc/65/87/17/556658717.db2.gz ZUJIBCJSVFZPSJ-OAQYLSRUSA-N 0 0 436.559 5.947 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033010694 556658732 /nfs/dbraw/zinc/65/87/32/556658732.db2.gz MGNYZZOIVVELBU-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1Cl ZINC000033010689 556658739 /nfs/dbraw/zinc/65/87/39/556658739.db2.gz PMOGEECULTYADJ-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033010893 556658774 /nfs/dbraw/zinc/65/87/74/556658774.db2.gz FIMXDMCMUJSXFH-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010873 556658888 /nfs/dbraw/zinc/65/88/88/556658888.db2.gz OVQDHRZCCPTDFS-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3)ncn2)cc1 ZINC000033010851 556658894 /nfs/dbraw/zinc/65/88/94/556658894.db2.gz BAVVRTQPBKMNRB-NRFANRHFSA-N 0 0 436.559 5.947 50 0 IKAARN Cc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000017095625 556659038 /nfs/dbraw/zinc/65/90/38/556659038.db2.gz HVTVRYHUURIOGS-UHFFFAOYSA-N 0 0 427.762 7.783 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CCCC4)c3cccc(C)c3n2)cc1C ZINC000017095556 556659075 /nfs/dbraw/zinc/65/90/75/556659075.db2.gz CRVOBXDNAFHTSH-UHFFFAOYSA-N 0 0 427.573 6.415 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010749 556659380 /nfs/dbraw/zinc/65/93/80/556659380.db2.gz QFPLZIABEMJIBQ-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000017095958 556659532 /nfs/dbraw/zinc/65/95/32/556659532.db2.gz SBXQOHHSVFUVLS-UHFFFAOYSA-N 0 0 428.532 6.561 50 0 IKAARN CCCCc1nnc(NC(=O)Cc2csc(COc3ccc(Cl)c(C)c3)n2)s1 ZINC000033011739 556659617 /nfs/dbraw/zinc/65/96/17/556659617.db2.gz ZDTATSTYWFFKTP-UHFFFAOYSA-N 0 0 436.990 5.059 50 0 IKAARN O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000011835473 556659670 /nfs/dbraw/zinc/65/96/70/556659670.db2.gz JKOGORKGXNENDC-UHFFFAOYSA-N 0 0 438.311 5.413 50 0 IKAARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(NC(=O)C2CC2)s1 ZINC000011836655 556659907 /nfs/dbraw/zinc/65/99/07/556659907.db2.gz ZLAOKFCVIBQRSX-UHFFFAOYSA-N 0 0 442.487 5.541 50 0 IKAARN CCCCc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000017096259 556659962 /nfs/dbraw/zinc/65/99/62/556659962.db2.gz ZGADHLSICYMADV-UHFFFAOYSA-N 0 0 428.963 7.459 50 0 IKAARN CCc1ccc(NC(=O)c2cc(-c3ccc(CC)cc3)nc3c(C)c(Cl)ccc23)cc1 ZINC000017096258 556660013 /nfs/dbraw/zinc/66/00/13/556660013.db2.gz GIYSHSIJFMVMRH-UHFFFAOYSA-N 0 0 428.963 7.241 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1F)c1nnc(SCc2cccc(C(F)(F)F)c2)n1C ZINC000017096405 556660139 /nfs/dbraw/zinc/66/01/39/556660139.db2.gz DDYFMZSADXBEHE-LLVKDONJSA-N 0 0 429.414 5.544 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)nc2)cc1 ZINC000017096622 556660546 /nfs/dbraw/zinc/66/05/46/556660546.db2.gz BRTFZOBRZKXEKS-MOPGFXCFSA-N 0 0 429.564 6.613 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccccc3)n2)c(OC)c1 ZINC000017096938 556660699 /nfs/dbraw/zinc/66/06/99/556660699.db2.gz PNHHRKBYVKBWKZ-UHFFFAOYSA-N 0 0 430.504 5.300 50 0 IKAARN CCCCN1C(=S)N=NC1c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000017097183 556661124 /nfs/dbraw/zinc/66/11/24/556661124.db2.gz KGBWSKJPOGEJNS-UHFFFAOYSA-N 0 0 430.581 5.523 50 0 IKAARN COc1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 ZINC000017097303 556661400 /nfs/dbraw/zinc/66/14/00/556661400.db2.gz OPYWOONNKQYAHO-UHFFFAOYSA-N 0 0 430.979 7.161 50 0 IKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1cccc(Cl)c1 ZINC000017097310 556661470 /nfs/dbraw/zinc/66/14/70/556661470.db2.gz ONJOGPFIMZIMKZ-UHFFFAOYSA-N 0 0 430.982 5.384 50 0 IKAARN CC(C)(C)OC(=O)N1C2c3cc4ccccc4cc3C(c3cc4ccccc4cc32)[S@]1=O ZINC000043215021 556661501 /nfs/dbraw/zinc/66/15/01/556661501.db2.gz VQUHUWBRYQBGLV-ZPBULCBRSA-N 0 0 441.552 6.400 50 0 IKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000011852388 556661495 /nfs/dbraw/zinc/66/14/95/556661495.db2.gz OLFZBHDQIRKBJE-JOCHJYFZSA-N 0 0 445.371 5.842 50 0 IKAARN COc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 ZINC000017097302 556661496 /nfs/dbraw/zinc/66/14/96/556661496.db2.gz LLIKQTHPXNEMOI-UHFFFAOYSA-N 0 0 430.979 7.161 50 0 IKAARN CC(C)(C)OC(=O)N1C2c3cc4ccccc4cc3C(c3cc4ccccc4cc32)[S@@]1=O ZINC000043215020 556661579 /nfs/dbraw/zinc/66/15/79/556661579.db2.gz VQUHUWBRYQBGLV-MKEJWXONSA-N 0 0 441.552 6.400 50 0 IKAARN FC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccccc3)n2)c1 ZINC000013960769 556661795 /nfs/dbraw/zinc/66/17/95/556661795.db2.gz RBZKLQJTVUVAJJ-UHFFFAOYSA-N 0 0 428.385 6.409 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2s1 ZINC000017097747 556662286 /nfs/dbraw/zinc/66/22/86/556662286.db2.gz YSJRGCALONAJHZ-UHFFFAOYSA-N 0 0 431.945 5.484 50 0 IKAARN Cc1cccc(-c2cc(C(=O)NCc3ccncc3)c3cc(Br)ccc3n2)c1 ZINC000017097815 556662305 /nfs/dbraw/zinc/66/23/05/556662305.db2.gz GOFJMFQVEZEFDO-UHFFFAOYSA-N 0 0 432.321 5.298 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000033013052 556662413 /nfs/dbraw/zinc/66/24/13/556662413.db2.gz PPQBUKAOVZBZDB-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000033012958 556662443 /nfs/dbraw/zinc/66/24/43/556662443.db2.gz UXUZDBRDQHFCHN-UHFFFAOYSA-N 0 0 435.867 5.230 50 0 IKAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3Cl)n2)cc1 ZINC000033012956 556662446 /nfs/dbraw/zinc/66/24/46/556662446.db2.gz MQPORJFLKFWMNH-UHFFFAOYSA-N 0 0 435.867 5.230 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c(F)c1F ZINC000017097879 556662573 /nfs/dbraw/zinc/66/25/73/556662573.db2.gz QRKABXKGIBTDMW-UHFFFAOYSA-N 0 0 432.398 5.781 50 0 IKAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000033013227 556662597 /nfs/dbraw/zinc/66/25/97/556662597.db2.gz WEIYQGLYEGRSSW-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000017098323 556663048 /nfs/dbraw/zinc/66/30/48/556663048.db2.gz COZBSCJUCCKOFI-UHFFFAOYSA-N 0 0 433.298 6.337 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)OCc1ccc(Cl)cc1 ZINC000033014009 556664084 /nfs/dbraw/zinc/66/40/84/556664084.db2.gz CQFCGUFEGIRWHI-UHFFFAOYSA-N 0 0 440.927 5.713 50 0 IKAARN Fc1ccc(CSCC2N=NC(=S)N2c2cccc(Cl)c2Cl)c(Cl)c1 ZINC000017099204 556664470 /nfs/dbraw/zinc/66/44/70/556664470.db2.gz SGXMAVZJCZRANF-UHFFFAOYSA-N 0 0 434.776 6.089 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017099462 556664620 /nfs/dbraw/zinc/66/46/20/556664620.db2.gz OEDPHCFCXLHSNK-UHFFFAOYSA-N 0 0 435.398 8.055 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C)c(C)c1 ZINC000017099463 556664639 /nfs/dbraw/zinc/66/46/39/556664639.db2.gz YWZPTUOWOSCPCY-UHFFFAOYSA-N 0 0 435.398 8.055 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1Cl ZINC000011865757 556665429 /nfs/dbraw/zinc/66/54/29/556665429.db2.gz ZJIZUNXAPCTDDC-UHFFFAOYSA-N 0 0 436.892 5.189 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)cc1 ZINC000011866198 556665989 /nfs/dbraw/zinc/66/59/89/556665989.db2.gz CBEYOIRIIFFLHP-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 IKAARN COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3-c3ccc(C)cc3)n2)cc1 ZINC000017101584 556666057 /nfs/dbraw/zinc/66/60/57/556666057.db2.gz QGKBAIBGSQAMSY-UHFFFAOYSA-N 0 0 437.568 6.955 50 0 IKAARN O=c1c2c(nc(SCc3ccc(F)cc3)n1Cc1ccncc1)sc1c2CCCC1 ZINC000017101562 556666099 /nfs/dbraw/zinc/66/60/99/556666099.db2.gz KHPDSXIROPJAIB-UHFFFAOYSA-N 0 0 437.565 5.212 50 0 IKAARN COc1ccc(Cl)c(CN(C)N2c3ccccc3[C@@H](c3ccccc3)C2=O)c1Cl ZINC000044125693 556666151 /nfs/dbraw/zinc/66/61/51/556666151.db2.gz UDBNFICHHOQVKX-OAQYLSRUSA-N 0 0 427.331 5.528 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC ZINC000011866290 556666217 /nfs/dbraw/zinc/66/62/17/556666217.db2.gz YUBGFHAJLAXCRB-UHFFFAOYSA-N 0 0 428.488 5.421 50 0 IKAARN COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2cc(C)ccc2C)cc1O ZINC000011866309 556666256 /nfs/dbraw/zinc/66/62/56/556666256.db2.gz SRANRZIGNQKVDK-UHFFFAOYSA-N 0 0 443.503 5.428 50 0 IKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1OC ZINC000011866347 556666429 /nfs/dbraw/zinc/66/64/29/556666429.db2.gz UZSXRZAZDDUXFJ-UHFFFAOYSA-N 0 0 445.515 6.236 50 0 IKAARN CC(=O)N(C)c1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc32)cc1 ZINC000011866469 556666782 /nfs/dbraw/zinc/66/67/82/556666782.db2.gz MWFDFZROQZGRTM-UHFFFAOYSA-N 0 0 428.488 5.555 50 0 IKAARN Fc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2nc(-c3ccccc3)nn21 ZINC000100758046 556666799 /nfs/dbraw/zinc/66/67/99/556666799.db2.gz FRSUURJUJKHYIR-NRFANRHFSA-N 0 0 447.311 5.903 50 0 IKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O ZINC000011866712 556666969 /nfs/dbraw/zinc/66/69/69/556666969.db2.gz PPGCDVULYQVAPL-UHFFFAOYSA-N 0 0 428.912 5.347 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1I ZINC000017103032 556667034 /nfs/dbraw/zinc/66/70/34/556667034.db2.gz HAYXXLKDHPVCGH-UHFFFAOYSA-N 0 0 439.256 5.087 50 0 IKAARN Cc1c2ccc(OCc3ccccc3Br)cc2oc(=O)c1Cc1ccccc1 ZINC000011866688 556667048 /nfs/dbraw/zinc/66/70/48/556667048.db2.gz KYAPYVVQRBHNNL-UHFFFAOYSA-N 0 0 435.317 6.034 50 0 IKAARN COc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017103151 556667169 /nfs/dbraw/zinc/66/71/69/556667169.db2.gz DBVZBGCAXDAADF-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN O=C(Nc1nnc(-c2ncc(C(F)(F)F)cc2Cl)s1)Nc1ccccc1Cl ZINC000261495010 556667189 /nfs/dbraw/zinc/66/71/89/556667189.db2.gz HBIOYCUNBGTUJN-UHFFFAOYSA-N 0 0 434.230 5.570 50 0 IKAARN COc1cccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3cccc(OC)c3)c2C)c1 ZINC000017103131 556667190 /nfs/dbraw/zinc/66/71/90/556667190.db2.gz JVDUWGUGMQMSDA-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1ccccc1F)occ3C(C)(C)C ZINC000011867430 556667220 /nfs/dbraw/zinc/66/72/20/556667220.db2.gz VGHKZCGXYNQRNX-UHFFFAOYSA-N 0 0 435.495 5.186 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccc(Cl)cc2)c(-c2ccccc2OC)c1Cl ZINC000017103137 556667267 /nfs/dbraw/zinc/66/72/67/556667267.db2.gz GSPAGWPMGUHWDV-UHFFFAOYSA-N 0 0 439.342 6.589 50 0 IKAARN O=c1c2ccccc2nc(SCCCc2ccccc2)n1OCCCc1ccccc1 ZINC000013513989 556667262 /nfs/dbraw/zinc/66/72/62/556667262.db2.gz PFLJDXZJWNSEOR-UHFFFAOYSA-N 0 0 430.573 5.183 50 0 IKAARN Cc1ccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)cc1 ZINC000011867549 556667497 /nfs/dbraw/zinc/66/74/97/556667497.db2.gz GCFYQZXFEMFIJF-UHFFFAOYSA-N 0 0 431.532 5.621 50 0 IKAARN Cc1oc2c(cc3c(C)c(CC(=O)N4CCCCC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000011867596 556667619 /nfs/dbraw/zinc/66/76/19/556667619.db2.gz BKZANDINKUZWET-UHFFFAOYSA-N 0 0 429.516 5.686 50 0 IKAARN Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)cc1Cl ZINC000017120805 556668338 /nfs/dbraw/zinc/66/83/38/556668338.db2.gz XMPPFHAADDMJMI-UHFFFAOYSA-N 0 0 446.986 5.528 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4c(O)nc5ccccc5c4O)cc3)sc2c1 ZINC000017124266 556668557 /nfs/dbraw/zinc/66/85/57/556668557.db2.gz QUVAHLBSVHVZIW-UHFFFAOYSA-N 0 0 427.485 5.071 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc3S2)cc1 ZINC000017123177 556668632 /nfs/dbraw/zinc/66/86/32/556668632.db2.gz ZVVQLFHYSJYPJR-QHCPKHFHSA-N 0 0 432.545 5.212 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(CC3CCCC3)[nH]2)cs1)c1ccccc1F ZINC000011885815 556668715 /nfs/dbraw/zinc/66/87/15/556668715.db2.gz NMHQDZHMZAUPIZ-UHFFFAOYSA-N 0 0 431.562 5.110 50 0 IKAARN Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000017124364 556668942 /nfs/dbraw/zinc/66/89/42/556668942.db2.gz MJWLCFGIRAYBEA-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN O=C(Nc1nnc(-c2ccccc2Br)s1)Nc1ccc(Cl)cc1Cl ZINC000017138441 556669451 /nfs/dbraw/zinc/66/94/51/556669451.db2.gz VISFRCJPEOUXES-UHFFFAOYSA-N 0 0 444.141 5.918 50 0 IKAARN Cc1cccc2c(C)cc3nnc(SCC(=O)Nc4ccccc4C(F)(F)F)n3c12 ZINC000011903173 556669823 /nfs/dbraw/zinc/66/98/23/556669823.db2.gz OVPPQZXFFRDMAW-UHFFFAOYSA-N 0 0 430.455 5.249 50 0 IKAARN O[C@]1(c2ccccc2)c2cccc(Cl)c2[C@](O)(c2ccccc2)c2cccc(Cl)c21 ZINC000017173100 556671450 /nfs/dbraw/zinc/67/14/50/556671450.db2.gz OXZHORJEIJPDMT-WMPKNSHKSA-N 0 0 433.334 5.875 50 0 IKAARN CC(=O)c1cc2c(N)c(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)sc2nc1C ZINC000032929468 556671769 /nfs/dbraw/zinc/67/17/69/556671769.db2.gz IATCLHSXXDWXPN-UHFFFAOYSA-N 0 0 427.835 5.314 50 0 IKAARN CC12[C@H]3c4cccc5cccc(c45)[C@@H]3N([C@@H]3c4cccc5cccc(c45)[C@@H]31)N2c1ccccc1 ZINC000017185762 556671931 /nfs/dbraw/zinc/67/19/31/556671931.db2.gz IDPUIWYSFAENMW-SPYHZTOPSA-N 0 0 436.558 7.479 50 0 IKAARN CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Br ZINC000017181037 556671934 /nfs/dbraw/zinc/67/19/34/556671934.db2.gz YHTPFFFRWJMZCJ-UHFFFAOYSA-N 0 0 427.342 5.042 50 0 IKAARN c1ccc2c(c1)C[C@@H](O[C@H]1Cc3ccccc3Sc3ccccc31)c1ccccc1S2 ZINC000017185435 556671977 /nfs/dbraw/zinc/67/19/77/556671977.db2.gz HCUKEBCEJKFZER-PSWAGMNNSA-N 0 0 438.617 7.900 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCc2cccc(Br)c2)[C@H]1C ZINC000248166832 556672211 /nfs/dbraw/zinc/67/22/11/556672211.db2.gz RYRTWXGEVFVVKM-ZRGWGRIASA-N 0 0 433.415 5.691 50 0 IKAARN N=c1c2c(ncn1Cc1ccco1)n(Cc1ccco1)c(-c1ccccc1)c2-c1ccccc1 ZINC000100802404 556675750 /nfs/dbraw/zinc/67/57/50/556675750.db2.gz MXJJZHGJNKGDIC-UHFFFAOYSA-N 0 0 446.510 5.934 50 0 aggregator IKAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1[nH]c2ccccc2c1Br ZINC000032932588 556675874 /nfs/dbraw/zinc/67/58/74/556675874.db2.gz RFBQJNNGAHQKGM-SFHVURJKSA-N 0 0 429.314 5.650 50 0 IKAARN Cc1cc([C@@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3cccc(C)c3)c2=S)on1 ZINC000032932616 556675949 /nfs/dbraw/zinc/67/59/49/556675949.db2.gz VDCURGUTZRLNIA-NRFANRHFSA-N 0 0 431.565 5.470 50 0 IKAARN C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032932864 556676163 /nfs/dbraw/zinc/67/61/63/556676163.db2.gz MFQZNPIFVDFISG-ZDUSSCGKSA-N 0 0 435.958 5.085 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3c(C)cccc3C)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033019448 556676378 /nfs/dbraw/zinc/67/63/78/556676378.db2.gz VPTDEWNUQDGBQO-UHFFFAOYSA-N 0 0 448.567 5.474 50 0 IKAARN Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)Nc1ccc(Br)cc1 ZINC000013524472 556678123 /nfs/dbraw/zinc/67/81/23/556678123.db2.gz FLYHLXQMCFIHLI-IBGZPJMESA-N 0 0 430.346 5.192 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@H](c2ccc3nccnc3c2)C1 ZINC000032936395 556678691 /nfs/dbraw/zinc/67/86/91/556678691.db2.gz WXYZQPPNRRMUSP-QHCPKHFHSA-N 0 0 442.906 5.283 50 0 IKAARN O=C(COc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 ZINC000017987317 556680973 /nfs/dbraw/zinc/68/09/73/556680973.db2.gz WJRUKMBVQKDLLX-DHIUTWEWSA-N 0 0 439.511 5.295 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1cc(C)ncn1 ZINC000012017043 556681249 /nfs/dbraw/zinc/68/12/49/556681249.db2.gz BJIHWMYZKVBLFD-UHFFFAOYSA-N 0 0 447.969 5.074 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000017988276 556681315 /nfs/dbraw/zinc/68/13/15/556681315.db2.gz JWIGEAVWLYRBQQ-ZEQRLZLVSA-N 0 0 425.484 5.252 50 0 IKAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000000675117 556682204 /nfs/dbraw/zinc/68/22/04/556682204.db2.gz QENMGFOYQMOXLS-JOCHJYFZSA-N 0 0 443.591 6.255 50 0 IKAARN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000000681174 556682301 /nfs/dbraw/zinc/68/23/01/556682301.db2.gz AUIBSMVRJKNJQN-HLNOYYKJSA-N 0 0 440.543 5.528 50 0 IKAARN CCCn1c(CCc2ccccc2NC(=O)Cc2ccccc2Cl)nc2ccccc21 ZINC000033019761 556684575 /nfs/dbraw/zinc/68/45/75/556684575.db2.gz POKYQTRYMXMNMQ-UHFFFAOYSA-N 0 0 431.967 6.066 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3sc(NC(=O)c4ccc(C)cc4)nc3c2)cc1 ZINC000033020448 556685339 /nfs/dbraw/zinc/68/53/39/556685339.db2.gz ONBNEKIYMNUKSE-UHFFFAOYSA-N 0 0 431.517 5.508 50 0 IKAARN C[C@H]1CCCCN1C(=S)Sc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000018180270 556685939 /nfs/dbraw/zinc/68/59/39/556685939.db2.gz PPLZYILUNULTLE-AWEZNQCLSA-N 0 0 429.010 6.100 50 0 IKAARN CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000002071062 556686193 /nfs/dbraw/zinc/68/61/93/556686193.db2.gz OAGLVFIXODPBGB-XIEYBQDHSA-N 0 0 437.539 6.458 50 0 IKAARN C[C@@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F ZINC000010636877 556686344 /nfs/dbraw/zinc/68/63/44/556686344.db2.gz VCNUUHRONNEGTF-KRWDZBQOSA-N 0 0 435.474 5.544 50 0 IKAARN CCOc1ccc2oc(C(=O)NC[C@@H](C)c3nc4ccccc4n3C(F)F)c(C)c2c1 ZINC000010637837 556686402 /nfs/dbraw/zinc/68/64/02/556686402.db2.gz DUVDBPCNIYUPGU-CYBMUJFWSA-N 0 0 427.451 5.418 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)Oc1ccc(-c2ccccc2)cc1Br ZINC000002165501 556686419 /nfs/dbraw/zinc/68/64/19/556686419.db2.gz STVVUGQBLVTWOW-UHFFFAOYSA-N 0 0 436.227 6.746 50 0 IKAARN N=C1/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000002149950 556686436 /nfs/dbraw/zinc/68/64/36/556686436.db2.gz TXPVPBGUNSFNAV-KOXZJICBSA-N 0 0 431.520 6.297 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)cc1 ZINC000033021896 556686830 /nfs/dbraw/zinc/68/68/30/556686830.db2.gz XYVAWZCWCRATJL-UHFFFAOYSA-N 0 0 428.439 5.813 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(CSc3ccc(-c4ccc(Cl)cc4)nn3)n2)c1 ZINC000033021963 556687119 /nfs/dbraw/zinc/68/71/19/556687119.db2.gz NTHVINLCHGOXCT-UHFFFAOYSA-N 0 0 448.857 6.158 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000018210546 556687138 /nfs/dbraw/zinc/68/71/38/556687138.db2.gz RQFQCESTUKGTTQ-WFASDCNBSA-N 0 0 442.850 5.216 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000135632258 556688072 /nfs/dbraw/zinc/68/80/72/556688072.db2.gz GCKILJIWMZTSLR-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000135878875 556688090 /nfs/dbraw/zinc/68/80/90/556688090.db2.gz LQJFIUWHNSEFRA-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(NCCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000071948146 556688497 /nfs/dbraw/zinc/68/84/97/556688497.db2.gz VZDGNHAYNNTFFM-UHFFFAOYSA-N 0 0 433.726 5.329 50 0 IKAARN COc1ccc(C(=O)Nc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2OC)cc1 ZINC000045967012 556689033 /nfs/dbraw/zinc/68/90/33/556689033.db2.gz MTDXAOGPLZIBQR-UHFFFAOYSA-N 0 0 449.894 5.343 50 0 IKAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(Cl)cc3)csc21 ZINC000064656848 556689038 /nfs/dbraw/zinc/68/90/38/556689038.db2.gz MIOKAHOYOIVYQU-MRXNPFEDSA-N 0 0 447.965 5.107 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)cc1F ZINC000046005294 556689327 /nfs/dbraw/zinc/68/93/27/556689327.db2.gz OBNHXASECQBCFV-UHFFFAOYSA-N 0 0 442.519 5.728 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)sc2c1 ZINC000000847195 556689635 /nfs/dbraw/zinc/68/96/35/556689635.db2.gz QEDYXKRSDZDNLB-UHFFFAOYSA-N 0 0 430.526 5.143 50 0 IKAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)Nc1ccc(F)cc1 ZINC000018324307 556689685 /nfs/dbraw/zinc/68/96/85/556689685.db2.gz AYKVRJCPPKAYFD-UHFFFAOYSA-N 0 0 438.911 5.718 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCCC1 ZINC000046005832 556689908 /nfs/dbraw/zinc/68/99/08/556689908.db2.gz XJACXUKWYJAWGL-UHFFFAOYSA-N 0 0 434.584 5.126 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000793770 556690052 /nfs/dbraw/zinc/69/00/52/556690052.db2.gz LXUMTRIQOPCDEA-VWLOTQADSA-N 0 0 442.471 5.786 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1cc(F)ccc1C ZINC000046005930 556690065 /nfs/dbraw/zinc/69/00/65/556690065.db2.gz ABGYIZSQNXAIGE-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@H]1c1ccccc1OC(F)F ZINC000000988568 556690158 /nfs/dbraw/zinc/69/01/58/556690158.db2.gz UAKHDRFJVZXUBW-GOSISDBHSA-N 0 0 442.487 5.047 50 0 IKAARN CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc(Cl)c1O ZINC000000998308 556690526 /nfs/dbraw/zinc/69/05/26/556690526.db2.gz UDGKUBWCQROJAB-CHHVJCJISA-N 0 0 435.705 5.013 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(C)c1C ZINC000046006542 556690640 /nfs/dbraw/zinc/69/06/40/556690640.db2.gz MDHPGQLUUYSMBM-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccccc1C ZINC000046009171 556690979 /nfs/dbraw/zinc/69/09/79/556690979.db2.gz VCQPEQOGTCFDMW-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2C)c1C ZINC000046023891 556691121 /nfs/dbraw/zinc/69/11/21/556691121.db2.gz WMMUEYZYHDDNTP-UHFFFAOYSA-N 0 0 441.579 5.504 50 0 IKAARN CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 ZINC000001198982 556692537 /nfs/dbraw/zinc/69/25/37/556692537.db2.gz ZTUDRXUONGHYCU-HSZRJFAPSA-N 0 0 436.964 5.550 50 0 IKAARN CCOC(=O)Nc1csc(CCCOCc2ccccc2)c1NC(=O)c1ccccc1 ZINC000071767007 556693852 /nfs/dbraw/zinc/69/38/52/556693852.db2.gz OBDOONAFYVHXIA-UHFFFAOYSA-N 0 0 438.549 5.718 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc(OC)c1 ZINC000033025114 556698259 /nfs/dbraw/zinc/69/82/59/556698259.db2.gz AUCYGBFXTJHZPX-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025160 556698394 /nfs/dbraw/zinc/69/83/94/556698394.db2.gz PIGQVNJVCNLEOK-UHFFFAOYSA-N 0 0 428.423 5.007 50 0 IKAARN COc1ccccc1-c1coc2c(ccc3c2CN(Cc2ccccc2Cl)CO3)c1=O ZINC000013570451 556698398 /nfs/dbraw/zinc/69/83/98/556698398.db2.gz WIGSNSMOXMGRKL-UHFFFAOYSA-N 0 0 433.891 5.474 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1 ZINC000033025123 556698436 /nfs/dbraw/zinc/69/84/36/556698436.db2.gz NEPUPLAYNCYWCX-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2ccccc2Cl)cc1OC ZINC000013573483 556698944 /nfs/dbraw/zinc/69/89/44/556698944.db2.gz KEYMCJPFFOORNS-UHFFFAOYSA-N 0 0 441.984 5.194 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)n2)cc1 ZINC000033025246 556699412 /nfs/dbraw/zinc/69/94/12/556699412.db2.gz LMECLFYCGDWSFH-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)n2)cc1 ZINC000033025263 556699646 /nfs/dbraw/zinc/69/96/46/556699646.db2.gz MCPGUWBLQQMXFN-RUZDIDTESA-N 0 0 434.543 6.003 50 0 IKAARN O=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000033025826 556701644 /nfs/dbraw/zinc/70/16/44/556701644.db2.gz QAMVVYLBDFNGID-UHFFFAOYSA-N 0 0 448.563 6.823 50 0 IKAARN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1cccc(F)c1 ZINC000013602458 556701729 /nfs/dbraw/zinc/70/17/29/556701729.db2.gz NBLOATXCLBHQDO-UHFFFAOYSA-N 0 0 445.675 6.302 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025796 556701744 /nfs/dbraw/zinc/70/17/44/556701744.db2.gz BKLRKCIHIAGGCP-UHFFFAOYSA-N 0 0 426.925 5.688 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1C ZINC000033026578 556703438 /nfs/dbraw/zinc/70/34/38/556703438.db2.gz KVBQTSWNVRLCOM-UHFFFAOYSA-N 0 0 430.533 5.248 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033026550 556703471 /nfs/dbraw/zinc/70/34/71/556703471.db2.gz VAZOFLXRJOZQDG-UHFFFAOYSA-N 0 0 444.560 5.502 50 0 IKAARN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1nn2c(nnc2-c2cccs2)s1 ZINC000013629744 556705306 /nfs/dbraw/zinc/70/53/06/556705306.db2.gz UOGGSYYFPXXSIK-UHFFFAOYSA-N 0 0 434.333 5.852 50 0 IKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NC1CCCCCCCCCCC1 ZINC000049603424 556707236 /nfs/dbraw/zinc/70/72/36/556707236.db2.gz HVULCZCPAFFWBG-UHFFFAOYSA-N 0 0 431.020 7.459 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000033027755 556707860 /nfs/dbraw/zinc/70/78/60/556707860.db2.gz NDOJXIZJWZBIAT-UHFFFAOYSA-N 0 0 447.510 5.309 50 0 IKAARN CCCc1ccc(-c2nc(NC(=O)c3cnn(C(C)C)c3C(F)(F)F)sc2C)cc1 ZINC000060337082 556708692 /nfs/dbraw/zinc/70/86/92/556708692.db2.gz PVGORAJQMNIDSR-UHFFFAOYSA-N 0 0 436.503 6.120 50 0 IKAARN CCNC(=O)c1cccc(CSc2nc(N(C)C3CCCCC3)cc(C(C)(C)C)n2)c1 ZINC000036070858 556710662 /nfs/dbraw/zinc/71/06/62/556710662.db2.gz OMHVDOKUOOYQFQ-UHFFFAOYSA-N 0 0 440.657 5.585 50 0 IKAARN COc1cc([C@@H](C)NC(=O)c2cc(Br)cnc2Cl)ccc1OCC(C)C ZINC000060341566 556712535 /nfs/dbraw/zinc/71/25/35/556712535.db2.gz FVROXPRGDDCKME-GFCCVEGCSA-N 0 0 441.753 5.032 50 0 IKAARN CCOC(=O)C=C(C)Nc1c(-c2cccc(Br)c2)c(C)nn1-c1ccccc1 ZINC000109900859 556714157 /nfs/dbraw/zinc/71/41/57/556714157.db2.gz GXBJFNNNLJPPGS-FYWRMAATSA-N 0 0 440.341 5.489 50 0 IKAARN COc1ccc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)cc1Cl ZINC000033034533 556716684 /nfs/dbraw/zinc/71/66/84/556716684.db2.gz BQRDXANLXWTMGZ-UHFFFAOYSA-N 0 0 438.959 5.006 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccccc4)c3)C2)cc1 ZINC000033034803 556717137 /nfs/dbraw/zinc/71/71/37/556717137.db2.gz AQUUKHXPVRDRFP-SANMLTNESA-N 0 0 426.560 5.199 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)N4CCCCCC4)c3)C2)cc1 ZINC000033035098 556717653 /nfs/dbraw/zinc/71/76/53/556717653.db2.gz JGJFAEFCUCDHGU-QHCPKHFHSA-N 0 0 449.595 5.513 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCC(C)CC4)c3)C2)cc1 ZINC000033035100 556717658 /nfs/dbraw/zinc/71/76/58/556717658.db2.gz BZRPRFKGGNAZFP-HSZRJFAPSA-N 0 0 449.595 5.369 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC(C)C)c3)C2)cc1 ZINC000033035139 556717669 /nfs/dbraw/zinc/71/76/69/556717669.db2.gz XZSPKRHHSKYSSS-QFIPXVFZSA-N 0 0 437.584 5.273 50 0 IKAARN O=C(NC1CCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035281 556717675 /nfs/dbraw/zinc/71/76/75/556717675.db2.gz FANQHNPTZPCTNI-LJQANCHMSA-N 0 0 425.960 5.424 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccco4)c3)C2)cc1 ZINC000033035093 556717804 /nfs/dbraw/zinc/71/78/04/556717804.db2.gz YFMSBQIKLOGWDD-NRFANRHFSA-N 0 0 447.535 5.020 50 0 IKAARN C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 ZINC000052509434 556717973 /nfs/dbraw/zinc/71/79/73/556717973.db2.gz MVZGYPSXNDCANY-UHFFFAOYSA-N 0 0 448.885 5.869 50 0 in-vitro IKAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033035444 556718081 /nfs/dbraw/zinc/71/80/81/556718081.db2.gz VCFPYZZGMPZQQU-HXUWFJFHSA-N 0 0 425.960 5.378 50 0 IKAARN COc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1 ZINC000033035725 556718426 /nfs/dbraw/zinc/71/84/26/556718426.db2.gz AIUHNXXYHSYOPM-QHCPKHFHSA-N 0 0 443.547 5.037 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1)c1ccccc1 ZINC000033036060 556718608 /nfs/dbraw/zinc/71/86/08/556718608.db2.gz AJWFOQVSBJSANS-UHFFFAOYSA-N 0 0 438.915 5.522 50 0 IKAARN CCCC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(C)cc1 ZINC000033036186 556718627 /nfs/dbraw/zinc/71/86/27/556718627.db2.gz JNAJDBUSLGTTJD-UHFFFAOYSA-N 0 0 445.386 5.287 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2Sc2nc(Cl)nn2Cc2ccccc2)cc1 ZINC000033036046 556718665 /nfs/dbraw/zinc/71/86/65/556718665.db2.gz QEZDOJBESRXQNI-UHFFFAOYSA-N 0 0 434.952 5.692 50 0 IKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000013330779 556719513 /nfs/dbraw/zinc/71/95/13/556719513.db2.gz XXYQPZRRNZZANV-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000138604139 556719573 /nfs/dbraw/zinc/71/95/73/556719573.db2.gz LIVXGYDERIEEOG-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN COc1ccccc1-n1c(/C=C\c2ccc(Br)cc2)nc2ccccc2c1=O ZINC000033888914 556719886 /nfs/dbraw/zinc/71/98/86/556719886.db2.gz CPLBMSFNZOHFDE-QINSGFPZSA-N 0 0 433.305 5.327 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000033037022 556719888 /nfs/dbraw/zinc/71/98/88/556719888.db2.gz VDFSFQQVPDNHJG-UHFFFAOYSA-N 0 0 446.457 5.337 50 0 IKAARN COc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccc(C)cc4)cccc23)c(OC)c1 ZINC000033036982 556719974 /nfs/dbraw/zinc/71/99/74/556719974.db2.gz QLUQFTZKVMWAJM-UHFFFAOYSA-N 0 0 426.516 5.466 50 0 IKAARN Cc1ccc(-c2cccc3c(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc(C)nc23)cc1 ZINC000033036923 556719999 /nfs/dbraw/zinc/71/99/99/556719999.db2.gz VEEVMZGIQFYDFB-UHFFFAOYSA-N 0 0 439.534 5.620 50 0 IKAARN COc1cc(CCC(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)on1 ZINC000013728813 556721188 /nfs/dbraw/zinc/72/11/88/556721188.db2.gz TWPJSKHRLHJRCA-UHFFFAOYSA-N 0 0 438.867 5.194 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NCc2cccs2)cc1 ZINC000033037214 556721936 /nfs/dbraw/zinc/72/19/36/556721936.db2.gz HCIWZOFSBQRLOB-UHFFFAOYSA-N 0 0 444.560 5.106 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC000033037136 556722081 /nfs/dbraw/zinc/72/20/81/556722081.db2.gz FBFNEFXBZVOTFB-UHFFFAOYSA-N 0 0 438.531 5.045 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(C)cn2)cc1 ZINC000033037145 556722125 /nfs/dbraw/zinc/72/21/25/556722125.db2.gz IKVNREGSMMQCCR-UHFFFAOYSA-N 0 0 439.519 5.070 50 0 IKAARN COc1cc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)cc(OC)c1OC ZINC000033037428 556722768 /nfs/dbraw/zinc/72/27/68/556722768.db2.gz SOHOUFSWYYQWKT-UHFFFAOYSA-N 0 0 448.504 5.138 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc(-c4cncc(Br)c4)n3)cc12 ZINC000033037432 556722914 /nfs/dbraw/zinc/72/29/14/556722914.db2.gz MPHISLJSHFHVLJ-UHFFFAOYSA-N 0 0 438.310 5.270 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000033038161 556723950 /nfs/dbraw/zinc/72/39/50/556723950.db2.gz IBKKAASRDKRNHN-UHFFFAOYSA-N 0 0 426.520 5.337 50 0 IKAARN COc1ccc(CN(CC[C@@H]2CC(C)(C)OC[C@H]2c2ccccc2)C(C)=O)cc1OC ZINC000004616542 556723962 /nfs/dbraw/zinc/72/39/62/556723962.db2.gz KWLNJGMDUQTJML-PKTZIBPZSA-N 0 0 425.569 5.041 50 0 IKAARN Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1C ZINC000072328615 556726046 /nfs/dbraw/zinc/72/60/46/556726046.db2.gz RINZKWDZHCNJPO-UHFFFAOYSA-N 0 0 445.925 5.857 50 0 IKAARN C=Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000072328617 556726049 /nfs/dbraw/zinc/72/60/49/556726049.db2.gz CPYIWJYGQOXLTL-UHFFFAOYSA-N 0 0 443.909 5.883 50 0 IKAARN Brc1ccc(-n2c(SCc3ccccc3)nnc2N2CCCCC2)cc1 ZINC000072329962 556727798 /nfs/dbraw/zinc/72/77/98/556727798.db2.gz JLPZQTMNVZYBBX-UHFFFAOYSA-N 0 0 429.387 5.312 50 0 IKAARN Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000011143120 556728616 /nfs/dbraw/zinc/72/86/16/556728616.db2.gz WFYGMTCNVPFASA-GFCCVEGCSA-N 0 0 441.405 6.107 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 ZINC000101192964 556730568 /nfs/dbraw/zinc/73/05/68/556730568.db2.gz DKNPZRUGYWSHSX-GKCIPKSASA-N 0 0 444.457 5.157 50 0 IKAARN CCOC(=O)c1sc(SCC)nc1NC(=S)Nc1ccc(Br)cc1 ZINC000071328560 556730676 /nfs/dbraw/zinc/73/06/76/556730676.db2.gz USZMGHKZETUFFA-UHFFFAOYSA-N 0 0 446.417 5.003 50 0 IKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000011147779 556730737 /nfs/dbraw/zinc/73/07/37/556730737.db2.gz GRVDDOBRSHVMCW-UHFFFAOYSA-N 0 0 436.462 5.267 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCCC1)O2 ZINC000015227260 556731281 /nfs/dbraw/zinc/73/12/81/556731281.db2.gz CCOYJWMHPDOPRE-HSZRJFAPSA-N 0 0 437.370 7.351 50 0 IKAARN C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(F)c(F)c1 ZINC000033040116 556731940 /nfs/dbraw/zinc/73/19/40/556731940.db2.gz UHOOHSNFBDDDEP-LLVKDONJSA-N 0 0 431.895 5.434 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000033926512 556733517 /nfs/dbraw/zinc/73/35/17/556733517.db2.gz QHOASVHSWVUMND-DHLKQENFSA-N 0 0 432.907 5.410 50 0 IKAARN O=C(Nc1ccccc1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccs1)CCCC3 ZINC000033042562 556734095 /nfs/dbraw/zinc/73/40/95/556734095.db2.gz UTVSIYSZTNKHNV-HSZRJFAPSA-N 0 0 445.613 6.616 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 ZINC000019295504 556734518 /nfs/dbraw/zinc/73/45/18/556734518.db2.gz CNHSVERBCCJWFE-UHFFFAOYSA-N 0 0 427.957 5.127 50 0 IKAARN Cc1cc(-c2cc(C(=O)N(C)[C@H](C)c3sc(C)nc3C)c3c(C)noc3n2)c(C)s1 ZINC000078609505 556735014 /nfs/dbraw/zinc/73/50/14/556735014.db2.gz OTRNASQJUZZYCJ-CYBMUJFWSA-N 0 0 440.594 5.783 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccs1)CCCC3 ZINC000033042732 556735734 /nfs/dbraw/zinc/73/57/34/556735734.db2.gz ICOPTODBHKFYFA-OAQYLSRUSA-N 0 0 441.622 5.130 50 0 IKAARN CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccs1)CCCC3 ZINC000033042769 556735799 /nfs/dbraw/zinc/73/57/99/556735799.db2.gz FAWVILLIKNAMQB-QFIPXVFZSA-N 0 0 439.650 6.140 50 0 IKAARN COc1cccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2Cc2ccco2)c1 ZINC000019315563 556735868 /nfs/dbraw/zinc/73/58/68/556735868.db2.gz HDLKAUSSFJOKMX-UHFFFAOYSA-N 0 0 434.477 5.135 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000033042778 556735885 /nfs/dbraw/zinc/73/58/85/556735885.db2.gz PBAUYFDUDLOZPO-JOCHJYFZSA-N 0 0 440.012 6.816 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)cc1 ZINC000033042774 556735931 /nfs/dbraw/zinc/73/59/31/556735931.db2.gz KARSTBHCMCFPEU-XMMPIXPASA-N 0 0 433.621 6.725 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)c1 ZINC000033042840 556735943 /nfs/dbraw/zinc/73/59/43/556735943.db2.gz WXLUXQUTORVBRP-XMMPIXPASA-N 0 0 449.620 5.849 50 0 IKAARN COc1ccc(-c2csc3ncnc(NCCc4nnc(-c5ccccc5)o4)c23)cc1 ZINC000078990257 556736475 /nfs/dbraw/zinc/73/64/75/556736475.db2.gz WFWHRDBPRQZWQR-UHFFFAOYSA-N 0 0 429.505 5.072 50 0 IKAARN Cc1cc(C)n(-c2cccc(NC(=O)N(Cc3cccc(C)c3)Cc3ccccn3)c2)n1 ZINC000079019603 556737774 /nfs/dbraw/zinc/73/77/74/556737774.db2.gz NKZQXZIPZVYFBS-UHFFFAOYSA-N 0 0 425.536 5.427 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033042999 556738036 /nfs/dbraw/zinc/73/80/36/556738036.db2.gz UYKHPSTVBCAGIA-HNNXBMFYSA-N 0 0 425.985 6.488 50 0 IKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C(F)(F)F)c1)CCCC3 ZINC000033043026 556738622 /nfs/dbraw/zinc/73/86/22/556738622.db2.gz GLYKSGOHAZBUDL-AWEZNQCLSA-N 0 0 445.510 6.545 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1 ZINC000055442323 556741059 /nfs/dbraw/zinc/74/10/59/556741059.db2.gz DMEMYLLRKCXLBX-VWLOTQADSA-N 0 0 425.580 5.679 50 0 IKAARN O=C(Nc1ccc(Br)cc1)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000096315520 556744474 /nfs/dbraw/zinc/74/44/74/556744474.db2.gz OOLGIYBIEWAFMR-UHFFFAOYSA-N 0 0 442.313 5.554 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N[C@@H](C)CCc3ccccc3)cc1CC2 ZINC000033049008 556745872 /nfs/dbraw/zinc/74/58/72/556745872.db2.gz SHRNDPTVGAXPHI-SFHVURJKSA-N 0 0 441.600 5.759 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2F)c(CN2CCN(c3ccccc3F)CC2)c1C ZINC000056984563 556746381 /nfs/dbraw/zinc/74/63/81/556746381.db2.gz RKODTFSMJKZEBG-UHFFFAOYSA-N 0 0 441.547 5.218 50 0 IKAARN COc1ccc([C@H](NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C(C)C)cc1OC ZINC000604419630 556746786 /nfs/dbraw/zinc/74/67/86/556746786.db2.gz JZBSBBFIKLKDNY-RUZDIDTESA-N 0 0 433.552 5.381 50 0 IKAARN Cc1ccc(NC(=O)C23CC4CC(C2)CC(C(=O)Nc2ccc(C)cc2C)(C4)C3)c(C)c1 ZINC000005257761 556747023 /nfs/dbraw/zinc/74/70/23/556747023.db2.gz ZKDZHYDONYVGHR-UHFFFAOYSA-N 0 0 430.592 6.084 50 0 IKAARN Cc1ccc(NC(=O)C23CC4CC(C2)CC(C(=O)Nc2ccc(C)c(C)c2)(C4)C3)cc1C ZINC000005257766 556747100 /nfs/dbraw/zinc/74/71/00/556747100.db2.gz GLAGMHIVIKPAOB-UHFFFAOYSA-N 0 0 430.592 6.084 50 0 IKAARN Brc1cccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019369679 556747176 /nfs/dbraw/zinc/74/71/76/556747176.db2.gz TWOCOSCSZNJPSZ-UHFFFAOYSA-N 0 0 437.381 5.559 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1ccc(F)cc1 ZINC000057511059 556747777 /nfs/dbraw/zinc/74/77/77/556747777.db2.gz ITKDUHFLGMECJN-UHFFFAOYSA-N 0 0 428.492 5.419 50 0 IKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1Br ZINC000057985479 556750435 /nfs/dbraw/zinc/75/04/35/556750435.db2.gz MMBQZOJXYRMHSV-UHFFFAOYSA-N 0 0 443.269 5.636 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 ZINC000072332613 556750607 /nfs/dbraw/zinc/75/06/07/556750607.db2.gz WHKFWYWQPHNMPH-RBBKRZOGSA-N 0 0 431.269 6.514 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCCc1nc(C(C)C)no1 ZINC000057990960 556750639 /nfs/dbraw/zinc/75/06/39/556750639.db2.gz KKFHKPHTNCFEKD-UHFFFAOYSA-N 0 0 438.475 5.006 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000072332609 556750680 /nfs/dbraw/zinc/75/06/80/556750680.db2.gz KFXIRDYUFKJWPD-JTHBVZDNSA-N 0 0 443.761 7.198 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)c1 ZINC000072332599 556750711 /nfs/dbraw/zinc/75/07/11/556750711.db2.gz DPXBDBBIJFLINC-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN Cn1c(COc2ccccc2Cl)nnc1SCc1ccccc1Oc1cccnc1 ZINC000057993039 556751080 /nfs/dbraw/zinc/75/10/80/556751080.db2.gz HYSNFBRBTKOVOV-UHFFFAOYSA-N 0 0 438.940 5.527 50 0 IKAARN COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000072332713 556751209 /nfs/dbraw/zinc/75/12/09/556751209.db2.gz DEPFYXJUAULOPO-UHFFFAOYSA-N 0 0 448.526 5.965 50 0 IKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1Br ZINC000057994436 556751384 /nfs/dbraw/zinc/75/13/84/556751384.db2.gz PKCOBLOQXSWSDN-UHFFFAOYSA-N 0 0 446.153 6.342 50 0 IKAARN Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccccc2NCC(F)(F)F)cs1 ZINC000058023070 556754456 /nfs/dbraw/zinc/75/44/56/556754456.db2.gz WMRBIFKLEJTLNF-ZHACJKMWSA-N 0 0 447.482 5.657 50 0 IKAARN CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1F ZINC000002380211 556761080 /nfs/dbraw/zinc/76/10/80/556761080.db2.gz QRAKUKZKAKDXCX-AYWVHJORSA-N 0 0 426.472 6.031 50 0 IKAARN O=C(Nc1ccc(Br)cc1)/C(=C/c1ccco1)NC(=O)c1ccc(Cl)cc1 ZINC000001021725 556762180 /nfs/dbraw/zinc/76/21/80/556762180.db2.gz XOVWYFUAUDNDBI-PDGQHHTCSA-N 0 0 445.700 5.105 50 0 IKAARN CC(=O)Oc1cccc(-c2cnc(-n3nc(C(F)(F)F)cc3-c3ccccc3)s2)c1 ZINC000001020566 556762561 /nfs/dbraw/zinc/76/25/61/556762561.db2.gz MJUFXDXUVMEWDH-UHFFFAOYSA-N 0 0 429.423 5.607 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccccc2F)CO4)cc1 ZINC000061997664 556763709 /nfs/dbraw/zinc/76/37/09/556763709.db2.gz SNUYEMKOSKQOIG-UHFFFAOYSA-N 0 0 431.463 5.268 50 0 biogenic IKAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1ccc3[nH]ccc3c1)COC2=O ZINC000062001674 556764635 /nfs/dbraw/zinc/76/46/35/556764635.db2.gz JIMJQPUHYBANGD-PJQLUOCWSA-N 0 0 448.519 5.072 50 0 biogenic IKAARN CN(Cc1ccc(OC(F)F)cc1)Cn1nc(Nc2ccccc2F)sc1=S ZINC000058160867 556764928 /nfs/dbraw/zinc/76/49/28/556764928.db2.gz DGJAKTROFJLBFC-UHFFFAOYSA-N 0 0 426.489 5.248 50 0 IKAARN O=C(CN(CCOc1ccccc1)CCOc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000058160827 556764961 /nfs/dbraw/zinc/76/49/61/556764961.db2.gz QFALSNMWFDPLQZ-UHFFFAOYSA-N 0 0 433.592 5.232 50 0 IKAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000058162221 556765701 /nfs/dbraw/zinc/76/57/01/556765701.db2.gz OCEKVGDQLMPWIP-CYBMUJFWSA-N 0 0 436.911 5.416 50 0 IKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000058162070 556765787 /nfs/dbraw/zinc/76/57/87/556765787.db2.gz DCVXXWIFQOMQHG-UHFFFAOYSA-N 0 0 442.500 5.697 50 0 IKAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000058162220 556765794 /nfs/dbraw/zinc/76/57/94/556765794.db2.gz OCEKVGDQLMPWIP-ZDUSSCGKSA-N 0 0 436.911 5.416 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC000058163286 556766274 /nfs/dbraw/zinc/76/62/74/556766274.db2.gz BXJFRLIRUMRVPH-XMMPIXPASA-N 0 0 435.955 5.207 50 0 IKAARN S=c1oc([C@@H]2COc3ccccc3O2)nn1CN(Cc1ccccc1)Cc1ccccc1 ZINC000058164436 556766284 /nfs/dbraw/zinc/76/62/84/556766284.db2.gz OOJDUGLMCNMSSU-QHCPKHFHSA-N 0 0 445.544 5.378 50 0 IKAARN COc1cc(C=O)ccc1OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000001138179 556767674 /nfs/dbraw/zinc/76/76/74/556767674.db2.gz GQGVQGHTYZCFRI-ZRDIBKRKSA-N 0 0 430.485 5.041 50 0 IKAARN O=C(Nc1nnc(C2CCCCC2)s1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000058170961 556767924 /nfs/dbraw/zinc/76/79/24/556767924.db2.gz IJROXVKPGXLEEZ-KRWDZBQOSA-N 0 0 430.624 5.888 50 0 IKAARN CC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000058170519 556768023 /nfs/dbraw/zinc/76/80/23/556768023.db2.gz MDOCNGHVYVKMOT-RUZDIDTESA-N 0 0 447.604 5.081 50 0 IKAARN CC(C)[C@@H](NC(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(F)cc1 ZINC000058172376 556768452 /nfs/dbraw/zinc/76/84/52/556768452.db2.gz DAOYOJBNQHCLHK-XMMPIXPASA-N 0 0 435.543 5.206 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000058176680 556769667 /nfs/dbraw/zinc/76/96/67/556769667.db2.gz PJLNUOMILGETQC-SANMLTNESA-N 0 0 440.547 5.083 50 0 IKAARN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000058179686 556770021 /nfs/dbraw/zinc/77/00/21/556770021.db2.gz JIGSEEZPKKUHQU-DEOSSOPVSA-N 0 0 431.923 5.396 50 0 IKAARN CCN(C(=O)CSCc1csc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1 ZINC000058201622 556771108 /nfs/dbraw/zinc/77/11/08/556771108.db2.gz LDPIGDUGTQXILR-UHFFFAOYSA-N 0 0 434.627 5.242 50 0 IKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000058245170 556775037 /nfs/dbraw/zinc/77/50/37/556775037.db2.gz XQEGBCUDCYPUMG-HOTGVXAUSA-N 0 0 427.595 5.537 50 0 IKAARN CC(C)c1noc(-c2ccc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)n1 ZINC000058247574 556775479 /nfs/dbraw/zinc/77/54/79/556775479.db2.gz ONSTXODDJNBVKV-CYBMUJFWSA-N 0 0 430.302 5.029 50 0 IKAARN CCC(CC)(NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000058250604 556775794 /nfs/dbraw/zinc/77/57/94/556775794.db2.gz IRQLMASATGSMJN-UHFFFAOYSA-N 0 0 441.015 5.343 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(C(=O)Cc2c(Cl)cccc2Cl)c2cnn(C)c2)c1 ZINC000058277758 556777249 /nfs/dbraw/zinc/77/72/49/556777249.db2.gz OUMKAFLSSPAOSC-CQSZACIVSA-N 0 0 448.350 5.081 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010658695 556780548 /nfs/dbraw/zinc/78/05/48/556780548.db2.gz TWLZRTQILHSXTK-LBPRGKRZSA-N 0 0 447.442 5.198 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010658696 556780552 /nfs/dbraw/zinc/78/05/52/556780552.db2.gz TWLZRTQILHSXTK-GFCCVEGCSA-N 0 0 447.442 5.198 50 0 IKAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cccc(-c2ccsc2)c1 ZINC000058326076 556781086 /nfs/dbraw/zinc/78/10/86/556781086.db2.gz QZHHBAMDLXBFAL-UHFFFAOYSA-N 0 0 449.582 5.554 50 0 IKAARN CNC(=O)c1c(C)cccc1NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000058330077 556781281 /nfs/dbraw/zinc/78/12/81/556781281.db2.gz IFOFTTRRDZBCCE-UHFFFAOYSA-N 0 0 441.531 5.083 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000058331341 556781589 /nfs/dbraw/zinc/78/15/89/556781589.db2.gz YWMDWVJRWZCEBX-HTAPYJJXSA-N 0 0 427.504 5.094 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000058331345 556781609 /nfs/dbraw/zinc/78/16/09/556781609.db2.gz YWMDWVJRWZCEBX-VGSWGCGISA-N 0 0 427.504 5.094 50 0 IKAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccncc1 ZINC000058342409 556781945 /nfs/dbraw/zinc/78/19/45/556781945.db2.gz YCNYMQNHKPIOTA-UHFFFAOYSA-N 0 0 435.867 5.132 50 0 IKAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000058356686 556782667 /nfs/dbraw/zinc/78/26/67/556782667.db2.gz HPHLRAHYOVGPAW-AWEZNQCLSA-N 0 0 443.370 5.581 50 0 IKAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000058356687 556782738 /nfs/dbraw/zinc/78/27/38/556782738.db2.gz HPHLRAHYOVGPAW-CQSZACIVSA-N 0 0 443.370 5.581 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)c2)oc1C ZINC000058369367 556783390 /nfs/dbraw/zinc/78/33/90/556783390.db2.gz YFBYYGUXMADEBV-UHFFFAOYSA-N 0 0 431.106 6.219 50 0 IKAARN Cc1nnc([C@H](Nc2ncnc3scc(-c4ccc(C)c(C)c4)c32)c2ccccc2)n1C ZINC000058378493 556784213 /nfs/dbraw/zinc/78/42/13/556784213.db2.gz XIFWYYJELZHSMD-JOCHJYFZSA-N 0 0 440.576 5.614 50 0 IKAARN Cc1sc(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000058394202 556785407 /nfs/dbraw/zinc/78/54/07/556785407.db2.gz AFHQGANSVVVZGI-UHFFFAOYSA-N 0 0 440.981 5.550 50 0 IKAARN COC(=O)c1sc2[nH]c(C(Cl)=Cc3csc(-c4ccsc4)n3)nc(=O)c2c1C ZINC000058406547 556786076 /nfs/dbraw/zinc/78/60/76/556786076.db2.gz WHZOZZMNCLLXRA-WZUFQYTHSA-N 0 0 449.966 5.414 50 0 IKAARN O=c1c(Cl)c(N[C@@H]2CCc3c2cccc3Cl)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058413015 556786637 /nfs/dbraw/zinc/78/66/37/556786637.db2.gz YEVYRCLBNLZYMG-CQSZACIVSA-N 0 0 441.240 5.053 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000058423310 556787508 /nfs/dbraw/zinc/78/75/08/556787508.db2.gz ONURQCLUQRIDMS-UHFFFAOYSA-N 0 0 438.846 5.586 50 0 IKAARN CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 ZINC000011181413 556792010 /nfs/dbraw/zinc/79/20/10/556792010.db2.gz SEGRHWICPDMIFA-INIZCTEOSA-N 0 0 433.577 5.283 50 0 IKAARN CC(C)[C@H](CCNC(=O)C[C@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 ZINC000005398433 556793240 /nfs/dbraw/zinc/79/32/40/556793240.db2.gz LFWUOLPEABZMPN-SQJMNOBHSA-N 0 0 432.004 6.096 50 0 IKAARN O=C(NCCOc1cccc(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000058969213 556793439 /nfs/dbraw/zinc/79/34/39/556793439.db2.gz BUVHXJYUIDODKH-UHFFFAOYSA-N 0 0 444.240 5.007 50 0 IKAARN COc1ccc(C(=O)C2CCN(C(=O)C(=Cc3cccc(C)c3)c3cccs3)CC2)cc1 ZINC000043698923 556793981 /nfs/dbraw/zinc/79/39/81/556793981.db2.gz UHXAABAEISSQCG-MOHJPFBDSA-N 0 0 445.584 5.727 50 0 IKAARN Cc1cc(-c2csc(CC(=O)Nc3ccccc3C)n2)c(C)n1CCc1cccs1 ZINC000019542479 556794417 /nfs/dbraw/zinc/79/44/17/556794417.db2.gz MLOQAVCCZKBETJ-UHFFFAOYSA-N 0 0 435.618 6.022 50 0 IKAARN O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000059122313 556795096 /nfs/dbraw/zinc/79/50/96/556795096.db2.gz FFPXBSZWFILRCA-UHFFFAOYSA-N 0 0 442.846 5.029 50 0 IKAARN Cc1ccc2nc(Nc3ccc(S(=O)(=O)C(F)F)cc3)nc(-c3ccccc3)c2c1 ZINC000001516424 556797523 /nfs/dbraw/zinc/79/75/23/556797523.db2.gz YQLFRTFZJLNXTL-UHFFFAOYSA-N 0 0 425.460 5.345 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1ccc(OC)cc1)c1ccccc1 ZINC000033050431 556798370 /nfs/dbraw/zinc/79/83/70/556798370.db2.gz KZKFFAYCOWDTTO-UHFFFAOYSA-N 0 0 431.561 5.238 50 0 IKAARN CN(CC/C=C1\c2ccccc2CSc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000002049808 556798501 /nfs/dbraw/zinc/79/85/01/556798501.db2.gz VKQKHYFKXBMODB-AUEPDCJTSA-N 0 0 434.004 6.582 50 0 IKAARN Cc1ccc(Cl)cc1NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000001846659 556798663 /nfs/dbraw/zinc/79/86/63/556798663.db2.gz XUDJBWLOCOILOB-UHFFFAOYSA-N 0 0 442.666 7.633 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)C(=O)NC1CC1 ZINC000005415346 556799072 /nfs/dbraw/zinc/79/90/72/556799072.db2.gz NXZNHDFPLBNYDE-MRXNPFEDSA-N 0 0 426.630 5.507 50 0 IKAARN C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000002617430 556800320 /nfs/dbraw/zinc/80/03/20/556800320.db2.gz WOWMQSUAZYBCLC-LLVKDONJSA-N 0 0 428.699 5.180 50 0 IKAARN COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002622037 556800559 /nfs/dbraw/zinc/80/05/59/556800559.db2.gz CEHZQNJONRMBJP-SFHVURJKSA-N 0 0 441.483 5.825 50 0 IKAARN COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002624025 556800743 /nfs/dbraw/zinc/80/07/43/556800743.db2.gz YXVWQLJPRNTUPC-HNNXBMFYSA-N 0 0 436.562 5.124 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000033050511 556800902 /nfs/dbraw/zinc/80/09/02/556800902.db2.gz CRQGHRPCADAHRJ-UHFFFAOYSA-N 0 0 439.943 5.632 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000033050667 556800991 /nfs/dbraw/zinc/80/09/91/556800991.db2.gz WPHUFLHSMWDBDK-UHFFFAOYSA-N 0 0 437.952 5.477 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000033050671 556800996 /nfs/dbraw/zinc/80/09/96/556800996.db2.gz YLTQPTLBJOTVOM-UHFFFAOYSA-N 0 0 437.952 5.477 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2c(C)cc(C)cc2C)cc1 ZINC000033050619 556801040 /nfs/dbraw/zinc/80/10/40/556801040.db2.gz SGFJBVZVNUSBNW-UHFFFAOYSA-N 0 0 445.588 5.749 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2-c2ccccc2)c1 ZINC000002631867 556801004 /nfs/dbraw/zinc/80/10/04/556801004.db2.gz QWNXWCNRRMPCIG-UHFFFAOYSA-N 0 0 437.471 5.196 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000002630708 556801159 /nfs/dbraw/zinc/80/11/59/556801159.db2.gz BBKYBVLIGCMSLP-UHFFFAOYSA-N 0 0 447.224 5.325 50 0 IKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 ZINC000072400793 556801191 /nfs/dbraw/zinc/80/11/91/556801191.db2.gz AZFGEWGBZDEHLC-HNAYVOBHSA-N 0 0 438.597 5.095 50 0 IKAARN COc1cc(NC2=NC(=O)SC2=Cc2cccc(Oc3ncccn3)c2)cc(OC)c1 ZINC000072401765 556801427 /nfs/dbraw/zinc/80/14/27/556801427.db2.gz BSBJLWZGJUTMQC-GRSHGNNSSA-N 0 0 434.477 5.004 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(OC)c1 ZINC000002648567 556802218 /nfs/dbraw/zinc/80/22/18/556802218.db2.gz FSIVFAOCZBIDKS-UHFFFAOYSA-N 0 0 444.409 5.227 50 0 IKAARN CC(C)(C)c1cc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000002650633 556802299 /nfs/dbraw/zinc/80/22/99/556802299.db2.gz JZXHECUDJJNQRM-SDNWHVSQSA-N 0 0 437.927 5.018 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000002662034 556803160 /nfs/dbraw/zinc/80/31/60/556803160.db2.gz KGJMLPBPAMNDFI-UHFFFAOYSA-N 0 0 440.572 5.143 50 0 IKAARN O=C(/C=C/c1ccc(Br)o1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000002663181 556803168 /nfs/dbraw/zinc/80/31/68/556803168.db2.gz PQLOYYHFPOZPRN-SOFGYWHQSA-N 0 0 431.267 5.671 50 0 IKAARN CO[C@@H](C)C(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000059740687 556803661 /nfs/dbraw/zinc/80/36/61/556803661.db2.gz FTYYHCYGKMGLQA-AWEZNQCLSA-N 0 0 431.355 5.141 50 0 IKAARN CCC12C[C@H]3C[C@@H](C1)CC(P(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)(C3)C2 ZINC000003163578 556803739 /nfs/dbraw/zinc/80/37/39/556803739.db2.gz FUEYLKINWIXRMF-ADXLDGDMSA-N 0 0 434.520 7.682 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000003010981 556803795 /nfs/dbraw/zinc/80/37/95/556803795.db2.gz MXWRELPZNMXJRM-OAHLLOKOSA-N 0 0 426.558 5.840 50 0 IKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000003181400 556804015 /nfs/dbraw/zinc/80/40/15/556804015.db2.gz BVNJDFINRIPAMC-UHFFFAOYSA-N 0 0 433.147 7.068 50 0 IKAARN C[C@@H](NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2)c1ccccc1 ZINC000003244720 556804635 /nfs/dbraw/zinc/80/46/35/556804635.db2.gz JBKHYHCTFXALFD-UYAOXDASSA-N 0 0 444.575 5.420 50 0 IKAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccccc1Oc1ccccc1 ZINC000003249876 556804886 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CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)cc3)c2C(=O)OC)C1 ZINC000005454250 556805463 /nfs/dbraw/zinc/80/54/63/556805463.db2.gz VEGBLIRVJZKGST-BJRSVTDJSA-N 0 0 425.594 6.036 50 0 IKAARN C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)cc1F ZINC000059926454 556805519 /nfs/dbraw/zinc/80/55/19/556805519.db2.gz BSEHNRLPPSXHOT-KRWDZBQOSA-N 0 0 428.552 5.444 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1 ZINC000003226984 556805646 /nfs/dbraw/zinc/80/56/46/556805646.db2.gz NJPGBNDZYGGANB-UHFFFAOYSA-N 0 0 446.931 7.243 50 0 IKAARN O=C(NCc1ccccc1)C(=Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 ZINC000003222309 556805778 /nfs/dbraw/zinc/80/57/78/556805778.db2.gz ZBYNXKQEKHODDP-UHFFFAOYSA-N 0 0 439.342 5.010 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C=C/c4ccc(F)cc4)cc3)sc2c1 ZINC000003229746 556806016 /nfs/dbraw/zinc/80/60/16/556806016.db2.gz HQGXBQYYHOLSOC-WLRTZDKTSA-N 0 0 446.503 5.606 50 0 IKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCCc1nc2ccccc2c(=O)[nH]1 ZINC000060037444 556806096 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O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1ncnc2ccccc21)c1ccccc1 ZINC000003263580 556807468 /nfs/dbraw/zinc/80/74/68/556807468.db2.gz FUDRTELYACPIQD-FQEVSTJZSA-N 0 0 440.355 6.409 50 0 IKAARN O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000003271292 556807575 /nfs/dbraw/zinc/80/75/75/556807575.db2.gz ZKBUHONBQFFKND-UHFFFAOYSA-N 0 0 449.717 6.266 50 0 IKAARN C[C@H](NC(=O)C(=Cc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000003268930 556807615 /nfs/dbraw/zinc/80/76/15/556807615.db2.gz TZFNHMWQUAKROJ-OALUTQOASA-N 0 0 432.951 5.478 50 0 IKAARN C[C@@H](NC(=O)C(=Cc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000003268937 556807665 /nfs/dbraw/zinc/80/76/65/556807665.db2.gz TZFNHMWQUAKROJ-RTBURBONSA-N 0 0 432.951 5.478 50 0 IKAARN Cc1cc(SCC(=O)OCC(=O)c2cccc(Cl)c2)c(C)cc1Br ZINC000003274582 556807749 /nfs/dbraw/zinc/80/77/49/556807749.db2.gz PLYYNNYLHJGVGF-UHFFFAOYSA-N 0 0 427.747 5.238 50 0 IKAARN O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1cccc(Oc2ccccc2)c1 ZINC000003271604 556807757 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O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1ccccc1OC(F)F ZINC000003301056 556811200 /nfs/dbraw/zinc/81/12/00/556811200.db2.gz UIJALNBWBLJWRS-NRFANRHFSA-N 0 0 443.471 5.303 50 0 IKAARN Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2Cl)c2ccccc2)cc1Cl ZINC000003300493 556811274 /nfs/dbraw/zinc/81/12/74/556811274.db2.gz BDHHOVGUKOHGLG-HJSOSKBTSA-N 0 0 440.326 6.238 50 0 IKAARN C[C@@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)Nc1cccc(Cl)c1 ZINC000003373557 556811732 /nfs/dbraw/zinc/81/17/32/556811732.db2.gz MARYVZGUZODKMT-CYBMUJFWSA-N 0 0 425.966 6.131 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1N1CCCCCC1 ZINC000003359743 556811770 /nfs/dbraw/zinc/81/17/70/556811770.db2.gz QSVMPOGCIXDTDC-UHFFFAOYSA-N 0 0 434.967 6.405 50 0 IKAARN CN(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000003359273 556811772 /nfs/dbraw/zinc/81/17/72/556811772.db2.gz FIQXQONLQVSRBA-UHFFFAOYSA-N 0 0 427.426 5.276 50 0 IKAARN Cc1oc(-c2cccs2)nc1CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 ZINC000011204791 556812060 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/nfs/dbraw/zinc/81/35/15/556813515.db2.gz CCEUQWBPORHXKG-UHFFFAOYSA-N 0 0 448.994 6.329 50 0 IKAARN COC(=O)[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1)c1ccccc1 ZINC000003354050 556813887 /nfs/dbraw/zinc/81/38/87/556813887.db2.gz LDIVNXGMHXVSBW-QFIPXVFZSA-N 0 0 429.545 5.558 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1 ZINC000003389456 556814097 /nfs/dbraw/zinc/81/40/97/556814097.db2.gz QMMHDUZGVSVXRQ-UHFFFAOYSA-N 0 0 437.561 6.170 50 0 IKAARN COc1cccc(/C=C(/C(=O)OCC(=O)N(c2ccccc2)C(C)C)c2ccccc2)c1 ZINC000003399888 556814344 /nfs/dbraw/zinc/81/43/44/556814344.db2.gz NZFLKFAERKQSPV-XIEYBQDHSA-N 0 0 429.516 5.221 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccccc1F ZINC000003407630 556814623 /nfs/dbraw/zinc/81/46/23/556814623.db2.gz LRIGFAQKUGVDPU-CQSZACIVSA-N 0 0 444.963 5.972 50 0 IKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000003413570 556814689 /nfs/dbraw/zinc/81/46/89/556814689.db2.gz RTOOIZFAVRKQOH-ACCUITESSA-N 0 0 439.342 5.618 50 0 IKAARN COc1cc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC000003433994 556815470 /nfs/dbraw/zinc/81/54/70/556815470.db2.gz UFTRKPPPOOISDT-NSHDSACASA-N 0 0 433.282 5.062 50 0 IKAARN CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005477937 556815789 /nfs/dbraw/zinc/81/57/89/556815789.db2.gz PQHKPUZTVFIOGO-RUZDIDTESA-N 0 0 425.532 5.030 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000021808953 556815861 /nfs/dbraw/zinc/81/58/61/556815861.db2.gz HXTJGNSGHVSLEA-PGKGOOGGSA-N 0 0 449.620 5.371 50 0 IKAARN CCOc1ccc2nc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)sc2c1 ZINC000003451559 556816043 /nfs/dbraw/zinc/81/60/43/556816043.db2.gz QUJNOCQYHWWHHB-UHFFFAOYSA-N 0 0 427.378 5.874 50 0 IKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000033059919 556816440 /nfs/dbraw/zinc/81/64/40/556816440.db2.gz KZDWVLDSYPBVCY-FQEVSTJZSA-N 0 0 444.604 5.363 50 0 IKAARN O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003473690 556816539 /nfs/dbraw/zinc/81/65/39/556816539.db2.gz CGMRKTHEUQLHGX-UHFFFAOYSA-N 0 0 449.528 5.370 50 0 IKAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1coc2cc(OC)ccc12 ZINC000003547545 556817395 /nfs/dbraw/zinc/81/73/95/556817395.db2.gz RGVDDURLWLVBLC-UHFFFAOYSA-N 0 0 449.334 5.168 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000005484594 556818029 /nfs/dbraw/zinc/81/80/29/556818029.db2.gz HXHAMMZQDAQTBO-UHFFFAOYSA-N 0 0 427.617 7.141 50 0 IKAARN COc1ccc([C@H](CNC(=O)NCc2ccc(C)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000033062410 556818023 /nfs/dbraw/zinc/81/80/23/556818023.db2.gz UIPUWIQOUWJBET-QFIPXVFZSA-N 0 0 443.547 5.125 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2C)c2c[nH]c3ccccc32)cc1OC ZINC000033062390 556818092 /nfs/dbraw/zinc/81/80/92/556818092.db2.gz XQKKFNXIUXNBAB-NRFANRHFSA-N 0 0 443.547 5.756 50 0 IKAARN CCc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000033062336 556818095 /nfs/dbraw/zinc/81/80/95/556818095.db2.gz NZTMBMRYUDUNMB-QFIPXVFZSA-N 0 0 443.547 5.701 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2ccccc2F)c2c[nH]c3ccccc32)cc1OC ZINC000033062412 556818106 /nfs/dbraw/zinc/81/81/06/556818106.db2.gz QUGDLPKPMGZNKG-GOSISDBHSA-N 0 0 433.483 5.278 50 0 IKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(CC)cccc2CC)cc1 ZINC000005487842 556818278 /nfs/dbraw/zinc/81/82/78/556818278.db2.gz ZWSSSRRBSJKZGL-IBGZPJMESA-N 0 0 425.569 5.955 50 0 IKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(CC)cccc2CC)cc1 ZINC000005487844 556818399 /nfs/dbraw/zinc/81/83/99/556818399.db2.gz ZWSSSRRBSJKZGL-LJQANCHMSA-N 0 0 425.569 5.955 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)N[C@H](C(=O)OC)C(C)C)c(C(C)(C)CC)c1 ZINC000005501564 556818591 /nfs/dbraw/zinc/81/85/91/556818591.db2.gz HVFIMKXUPUDHMD-QHCPKHFHSA-N 0 0 433.633 5.535 50 0 IKAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cc(Cl)ccc4C)cc3)nc2c1 ZINC000033068030 556820077 /nfs/dbraw/zinc/82/00/77/556820077.db2.gz XMSGBVZFGQHOFF-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1)c1ccccc1 ZINC000033068073 556820315 /nfs/dbraw/zinc/82/03/15/556820315.db2.gz LADXNOQVEVBRKO-HSZRJFAPSA-N 0 0 441.531 5.023 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)c1 ZINC000033068265 556821497 /nfs/dbraw/zinc/82/14/97/556821497.db2.gz SABXMBMHVVIWGJ-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)NC3CCCCC3)CC1)=Nc1ccccc1O2 ZINC000096503498 556821763 /nfs/dbraw/zinc/82/17/63/556821763.db2.gz SUWJDYFCBYOFTG-UHFFFAOYSA-N 0 0 432.568 5.229 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)c1 ZINC000033068289 556821828 /nfs/dbraw/zinc/82/18/28/556821828.db2.gz MQUWOCRIUSZBIR-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)c3cccnc3Cl)CC1)=Nc1ccccc1O2 ZINC000096503426 556821858 /nfs/dbraw/zinc/82/18/58/556821858.db2.gz OXPYJGDYAWGUJM-UHFFFAOYSA-N 0 0 446.938 5.076 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)cc1 ZINC000033068286 556821870 /nfs/dbraw/zinc/82/18/70/556821870.db2.gz WUNYESSFACRXOL-UHFFFAOYSA-N 0 0 448.910 5.133 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)c(C)c1 ZINC000064661974 556825943 /nfs/dbraw/zinc/82/59/43/556825943.db2.gz WKPMJDCMHPWHSP-AREMUKBSSA-N 0 0 443.572 5.055 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1C ZINC000064661985 556825967 /nfs/dbraw/zinc/82/59/67/556825967.db2.gz UBECJFBBVCWATL-SANMLTNESA-N 0 0 443.572 5.055 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1C ZINC000064662185 556826175 /nfs/dbraw/zinc/82/61/75/556826175.db2.gz VLOCLDCDZXTNAJ-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN CCc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000064662292 556826418 /nfs/dbraw/zinc/82/64/18/556826418.db2.gz OHRSZMFRSBDPMI-SANMLTNESA-N 0 0 449.620 5.129 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1cccc(Cl)c1 ZINC000064790235 556826962 /nfs/dbraw/zinc/82/69/62/556826962.db2.gz XEYYYYRKQLIPSD-UHFFFAOYSA-N 0 0 440.931 5.586 50 0 IKAARN CC(=O)c1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(C)cc4)cs3)c2C)cc1 ZINC000064790180 556826967 /nfs/dbraw/zinc/82/69/67/556826967.db2.gz IIBQSRKLZHEYTK-UHFFFAOYSA-N 0 0 444.560 5.305 50 0 IKAARN CC(=O)c1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(F)cc4)cs3)c2C)cc1 ZINC000064790238 556827044 /nfs/dbraw/zinc/82/70/44/556827044.db2.gz MFYUFEFTIFWZRZ-UHFFFAOYSA-N 0 0 448.523 5.136 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)Nc2ccccc2C)c1 ZINC000064816955 556827739 /nfs/dbraw/zinc/82/77/39/556827739.db2.gz QJZKUKKBONVRSE-UHFFFAOYSA-N 0 0 432.549 5.403 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 ZINC000064816947 556827744 /nfs/dbraw/zinc/82/77/44/556827744.db2.gz GWHNJEBGFWNLRS-UHFFFAOYSA-N 0 0 436.512 5.234 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000064816949 556827750 /nfs/dbraw/zinc/82/77/50/556827750.db2.gz GXVWDKNXLGZOQD-UHFFFAOYSA-N 0 0 436.512 5.234 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2C)c1 ZINC000064816944 556827760 /nfs/dbraw/zinc/82/77/60/556827760.db2.gz CLFSYFVGYOOJOM-UHFFFAOYSA-N 0 0 446.576 5.712 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1)c1cccc(C)c1 ZINC000033068653 556828065 /nfs/dbraw/zinc/82/80/65/556828065.db2.gz NQMDACMXZPZUTO-UHFFFAOYSA-N 0 0 441.600 5.983 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000033068667 556828791 /nfs/dbraw/zinc/82/87/91/556828791.db2.gz XJKUHARKNIAXQZ-UHFFFAOYSA-N 0 0 433.508 5.099 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)NCCC2=CCCCC2)cc1 ZINC000033068702 556829121 /nfs/dbraw/zinc/82/91/21/556829121.db2.gz CAHHALOVIUHNMJ-UHFFFAOYSA-N 0 0 431.605 5.628 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000033068742 556829132 /nfs/dbraw/zinc/82/91/32/556829132.db2.gz HZOBYXOHRWRJEK-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN CCOc1ccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1 ZINC000064949828 556829297 /nfs/dbraw/zinc/82/92/97/556829297.db2.gz JAPDHJGZGKGHKO-UHFFFAOYSA-N 0 0 444.878 5.155 50 0 IKAARN CSc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064949788 556829427 /nfs/dbraw/zinc/82/94/27/556829427.db2.gz FRTHKSXZHUOZBS-UHFFFAOYSA-N 0 0 426.501 5.133 50 0 IKAARN O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004786 556831941 /nfs/dbraw/zinc/83/19/41/556831941.db2.gz JAEYYQBMBYRJGK-SFHVURJKSA-N 0 0 428.579 5.417 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019629587 556831952 /nfs/dbraw/zinc/83/19/52/556831952.db2.gz FSSASDHRWOQGFL-UHFFFAOYSA-N 0 0 439.481 5.645 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1NC(=O)c1ccco1 ZINC000065005082 556831951 /nfs/dbraw/zinc/83/19/51/556831951.db2.gz DSBOOEKCQWMNJR-UHFFFAOYSA-N 0 0 437.455 6.350 50 0 IKAARN COc1ccc(Oc2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2)cc1 ZINC000065005243 556831990 /nfs/dbraw/zinc/83/19/90/556831990.db2.gz WLVZAWPTXDUFPN-UHFFFAOYSA-N 0 0 434.448 5.230 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1C ZINC000019629992 556832113 /nfs/dbraw/zinc/83/21/13/556832113.db2.gz AJMNBUAFERHSGH-UHFFFAOYSA-N 0 0 439.534 5.620 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)no2)cc1OC ZINC000065005362 556832204 /nfs/dbraw/zinc/83/22/04/556832204.db2.gz XDZBIASBTZJATD-UHFFFAOYSA-N 0 0 431.448 5.172 50 0 IKAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000019630423 556832309 /nfs/dbraw/zinc/83/23/09/556832309.db2.gz PLYBXZXBFLLWTJ-QGZVFWFLSA-N 0 0 439.606 5.212 50 0 IKAARN S=C1N=NC(CSCc2c(Cl)cccc2Cl)N1c1ccc2c(c1)OCCO2 ZINC000019631363 556832517 /nfs/dbraw/zinc/83/25/17/556832517.db2.gz SLFFWSRTBFRIAI-UHFFFAOYSA-N 0 0 440.377 5.067 50 0 IKAARN CCn1c(SCc2c(F)cccc2Cl)nnc1[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000019631332 556832568 /nfs/dbraw/zinc/83/25/68/556832568.db2.gz HXQUSEKAWRELLX-ZDUSSCGKSA-N 0 0 440.371 6.485 50 0 IKAARN COc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000033068820 556832613 /nfs/dbraw/zinc/83/26/13/556832613.db2.gz KTBUFMNDBGWVCF-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC000033068834 556832622 /nfs/dbraw/zinc/83/26/22/556832622.db2.gz FLNFDOFNAHDVBE-UHFFFAOYSA-N 0 0 437.927 5.744 50 0 IKAARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000033068805 556832706 /nfs/dbraw/zinc/83/27/06/556832706.db2.gz FDKCJFVVOMBXLR-UHFFFAOYSA-N 0 0 447.991 5.625 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)c1 ZINC000033068825 556832731 /nfs/dbraw/zinc/83/27/31/556832731.db2.gz HIYLQSGBUMOKPY-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN C[C@H](Sc1nc2ccccc2nc1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 ZINC000033068882 556832831 /nfs/dbraw/zinc/83/28/31/556832831.db2.gz DDHFWORMTKEABG-HNNXBMFYSA-N 0 0 437.952 5.264 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000033068836 556832994 /nfs/dbraw/zinc/83/29/94/556832994.db2.gz WVJNKLOBHYGVNQ-UHFFFAOYSA-N 0 0 437.927 5.744 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)c(C)c1 ZINC000033068851 556833003 /nfs/dbraw/zinc/83/30/03/556833003.db2.gz GDGKMSXQFBMOAN-UHFFFAOYSA-N 0 0 447.991 6.222 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(C)c3)c(NCc3ccc(OC)cc3)n2c1C ZINC000065315804 556833234 /nfs/dbraw/zinc/83/32/34/556833234.db2.gz HKZUWEWKSDRCPL-UHFFFAOYSA-N 0 0 435.549 5.477 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(SC)cc3)c(NC3CCCCCC3)n2c1C ZINC000065315907 556833368 /nfs/dbraw/zinc/83/33/68/556833368.db2.gz AWXWMUHQLSOZSO-UHFFFAOYSA-N 0 0 443.638 6.405 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(O)cc3)c(NCc3ccc(F)cc3)n2c1C ZINC000065315844 556833389 /nfs/dbraw/zinc/83/33/89/556833389.db2.gz ORIRZMGIABBRCC-UHFFFAOYSA-N 0 0 425.485 5.005 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(NCc3cccc(F)c3)n2c1C ZINC000065315890 556833426 /nfs/dbraw/zinc/83/34/26/556833426.db2.gz YNRFFMBQEFACIF-UHFFFAOYSA-N 0 0 439.512 5.308 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(NCc3ccc(C)cc3)n2c1C ZINC000065315872 556833440 /nfs/dbraw/zinc/83/34/40/556833440.db2.gz RJXZDDLYYFIEMK-UHFFFAOYSA-N 0 0 435.549 5.477 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OCC)c(OC)c3)c(NC3CCCC3)n2c1C ZINC000065318769 556833582 /nfs/dbraw/zinc/83/35/82/556833582.db2.gz QXAKFIIEWWAGLQ-UHFFFAOYSA-N 0 0 443.569 5.310 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(O)cc3)c(NCc3ccccc3Cl)n2c1C ZINC000065318785 556833604 /nfs/dbraw/zinc/83/36/04/556833604.db2.gz RLOIFXYIHCYSOM-UHFFFAOYSA-N 0 0 441.940 5.519 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)C(C)(C)C)CC2 ZINC000005614094 556833743 /nfs/dbraw/zinc/83/37/43/556833743.db2.gz MYYFFIMVLPYJDZ-QFIPXVFZSA-N 0 0 425.569 5.378 50 0 IKAARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(Cl)c2)c1 ZINC000096558443 556833865 /nfs/dbraw/zinc/83/38/65/556833865.db2.gz IENYZPWRUACFRY-QFIPXVFZSA-N 0 0 441.756 6.467 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccccc4C)cc3)nn2)c(C)c1C ZINC000065362651 556834566 /nfs/dbraw/zinc/83/45/66/556834566.db2.gz RJABDXPPBAPNTE-UHFFFAOYSA-N 0 0 427.512 5.284 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2cccc(Cl)c2n1 ZINC000019634861 556834678 /nfs/dbraw/zinc/83/46/78/556834678.db2.gz NCPWRQXRIPDOTJ-UHFFFAOYSA-N 0 0 441.745 7.423 50 0 IKAARN CCCc1ccc(C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC(C)C)cc1 ZINC000019635144 556834707 /nfs/dbraw/zinc/83/47/07/556834707.db2.gz IGQJCEXXAILRRJ-UHFFFAOYSA-N 0 0 441.980 6.839 50 0 IKAARN Cn1c(CCC2CCCCC2)nnc1SCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000019637017 556835807 /nfs/dbraw/zinc/83/58/07/556835807.db2.gz XDBWXEFRIJEYOC-UHFFFAOYSA-N 0 0 442.610 5.473 50 0 IKAARN COc1ccc(-c2nn(C3CCCC3)c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC ZINC000019637457 556835958 /nfs/dbraw/zinc/83/59/58/556835958.db2.gz KJLYZQYDGPHCLC-UHFFFAOYSA-N 0 0 442.943 6.020 50 0 IKAARN Fc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(F)cc3)c2Br)cc1 ZINC000019637638 556835981 /nfs/dbraw/zinc/83/59/81/556835981.db2.gz CMXFGXRNYJWYTC-UHFFFAOYSA-N 0 0 443.266 6.445 50 0 IKAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccccc1)CC(=O)O3 ZINC000072404465 556836539 /nfs/dbraw/zinc/83/65/39/556836539.db2.gz OUITXBPQJQRTKX-FHLNYQECSA-N 0 0 448.515 5.315 50 0 IKAARN Cc1sc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c(C(N)=O)c1C ZINC000019639225 556836668 /nfs/dbraw/zinc/83/66/68/556836668.db2.gz YQBQGHBOTQKFHN-UHFFFAOYSA-N 0 0 443.775 5.347 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc2c(s1)CCCCCCCCCC2 ZINC000019639565 556836913 /nfs/dbraw/zinc/83/69/13/556836913.db2.gz PKJHWKHLMYIZHN-UHFFFAOYSA-N 0 0 443.962 7.892 50 0 IKAARN O=c1c2ccccc2c(-c2cccs2)nn1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000062581117 556836911 /nfs/dbraw/zinc/83/69/11/556836911.db2.gz XIZOYVKVDCZMFS-QHCPKHFHSA-N 0 0 427.573 5.625 50 0 IKAARN C[C@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019639489 556836968 /nfs/dbraw/zinc/83/69/68/556836968.db2.gz FQBBCQDMDDGDSG-PXRHCINRSA-N 0 0 443.941 5.544 50 0 IKAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4Cc5c(cnc6c7c(cccc7F)nn65)C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000334161533 556837173 /nfs/dbraw/zinc/83/71/73/556837173.db2.gz DAWPFPOCBDCGER-RTKJYCRHSA-N 0 0 447.598 5.730 50 0 IKAARN C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5c(cnc6c7c(cccc7F)nn65)C[C@]4(C)[C@H]3CC[C@]21C ZINC000334161527 556837234 /nfs/dbraw/zinc/83/72/34/556837234.db2.gz DAWPFPOCBDCGER-MVNFLKBISA-N 0 0 447.598 5.730 50 0 IKAARN Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1 ZINC000065731313 556837512 /nfs/dbraw/zinc/83/75/12/556837512.db2.gz HYBZWVLPALMACV-KRWDZBQOSA-N 0 0 448.523 5.155 50 0 in-vitro IKAARN CC1(C)CCC(c2ccc(Cl)cc2)=C(C[NH+]2CCN(c3ccc(C(=O)[O-])cc3)CC2)C1 ZINC000065739331 556837566 /nfs/dbraw/zinc/83/75/66/556837566.db2.gz JBZBOOYFIKNESP-UHFFFAOYSA-N 0 0 438.999 5.824 50 0 in-vitro IKAARN CCN(CC)P(=Nc1ccc(C(C)=O)cc1)(c1c(C)nc2sccn21)N(CC)CC ZINC000096602601 556838089 /nfs/dbraw/zinc/83/80/89/556838089.db2.gz VQKFERPFCBFTKO-UHFFFAOYSA-N 0 0 445.573 5.579 50 0 IKAARN COc1ccc(-c2csc(-n3nc(-c4ccccc4F)cc3-c3ccccc3F)n2)cc1 ZINC000019643367 556838148 /nfs/dbraw/zinc/83/81/48/556838148.db2.gz XIEDYVZFWUVEPS-UHFFFAOYSA-N 0 0 445.494 6.617 50 0 IKAARN COc1ccc(CN(Cc2cc(=O)n3c(n2)sc2c3CCCC2)c2ccc(C)cc2)cc1 ZINC000033068999 556838549 /nfs/dbraw/zinc/83/85/49/556838549.db2.gz YQGRJMXXJDRFOG-UHFFFAOYSA-N 0 0 445.588 5.159 50 0 IKAARN O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000019644069 556839013 /nfs/dbraw/zinc/83/90/13/556839013.db2.gz VLFDNCBVNFNPFH-UHFFFAOYSA-N 0 0 445.925 5.657 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000019644067 556839041 /nfs/dbraw/zinc/83/90/41/556839041.db2.gz KOKFFPORBYCBJG-UHFFFAOYSA-N 0 0 445.925 5.657 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000019645548 556840084 /nfs/dbraw/zinc/84/00/84/556840084.db2.gz UERUZQUDNHNJDE-UHFFFAOYSA-N 0 0 446.982 6.792 50 0 IKAARN Cc1cc(C(F)F)nc2sc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)c(N)c21 ZINC000019646600 556840432 /nfs/dbraw/zinc/84/04/32/556840432.db2.gz DBFDPYVBHBHGQY-UHFFFAOYSA-N 0 0 447.898 5.275 50 0 IKAARN COc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1OC ZINC000011211938 556842348 /nfs/dbraw/zinc/84/23/48/556842348.db2.gz ARNPKKUXONYFLQ-UHFFFAOYSA-N 0 0 436.537 5.319 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 ZINC000008719137 556842879 /nfs/dbraw/zinc/84/28/79/556842879.db2.gz PCZHNEZDVRYCJB-HSZRJFAPSA-N 0 0 429.545 5.749 50 0 IKAARN Cc1nc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)[nH]c1Cc1ccccc1 ZINC000008719414 556843199 /nfs/dbraw/zinc/84/31/99/556843199.db2.gz MPSUIMOJXKFHRB-UHFFFAOYSA-N 0 0 439.890 5.712 50 0 IKAARN O=C(CCCOc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000022181900 556849162 /nfs/dbraw/zinc/84/91/62/556849162.db2.gz YUCZQYQDXJALDA-UHFFFAOYSA-N 0 0 432.398 5.348 50 0 IKAARN Cc1cc(C)c2c(N)c(-c3nnc(SCC(=O)c4ccc(Cl)cc4)o3)sc2n1 ZINC000068712463 556849284 /nfs/dbraw/zinc/84/92/84/556849284.db2.gz UNUZAPFCAZETHJ-UHFFFAOYSA-N 0 0 430.942 5.174 50 0 IKAARN C[C@H](Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C)c1nc2ccccc2c(=O)[nH]1 ZINC000008888022 556850695 /nfs/dbraw/zinc/85/06/95/556850695.db2.gz PGBAWKOSYNMYFQ-GUXCAODWSA-N 0 0 446.580 5.181 50 0 IKAARN Cc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c(Cl)c1 ZINC000033070539 556851220 /nfs/dbraw/zinc/85/12/20/556851220.db2.gz PTCJHBWZWRAGRD-UHFFFAOYSA-N 0 0 440.931 5.536 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc([C@H](C)Oc4ccc(F)cc4)o3)cs2)cc1 ZINC000008966358 556852101 /nfs/dbraw/zinc/85/21/01/556852101.db2.gz PSECNHPSVNYFGM-AWEZNQCLSA-N 0 0 427.526 6.073 50 0 IKAARN CC(C)Cn1c(SCc2ccc(Cl)cc2)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033076963 556852206 /nfs/dbraw/zinc/85/22/06/556852206.db2.gz OVTOQWDCGBTDBT-UHFFFAOYSA-N 0 0 444.000 5.136 50 0 IKAARN Cc1ccc(Cn2c(CCCC(=O)Nc3cc(Cl)ccc3C)nc3cccnc32)cc1 ZINC000033072617 556852263 /nfs/dbraw/zinc/85/22/63/556852263.db2.gz BPBIVEFVGIDWJP-UHFFFAOYSA-N 0 0 432.955 5.711 50 0 IKAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3cc(C)c(Cl)cc3OC)C2)s1 ZINC000033078327 556853248 /nfs/dbraw/zinc/85/32/48/556853248.db2.gz UAMCMIMCPKZDEL-CQSZACIVSA-N 0 0 444.988 5.079 50 0 IKAARN Cc1ccc(CSc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2CC(C)C)cc1 ZINC000033076983 556854321 /nfs/dbraw/zinc/85/43/21/556854321.db2.gz LTPIEBKXMFSRRT-UHFFFAOYSA-N 0 0 449.620 5.326 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1OCC ZINC000033084722 556854649 /nfs/dbraw/zinc/85/46/49/556854649.db2.gz KFQBFCIOFAFBLD-UHFFFAOYSA-N 0 0 447.579 5.829 50 0 IKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3cccc(Br)c3)cc12 ZINC000033084725 556854744 /nfs/dbraw/zinc/85/47/44/556854744.db2.gz VSFPNXGNZOYPJO-UHFFFAOYSA-N 0 0 438.369 5.794 50 0 IKAARN COc1ccc([C@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)cc1 ZINC000004652734 556855248 /nfs/dbraw/zinc/85/52/48/556855248.db2.gz SBIPFOQZARKNJI-AREMUKBSSA-N 0 0 429.560 5.082 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000033085303 556855303 /nfs/dbraw/zinc/85/53/03/556855303.db2.gz UDELIXPAYUOCEW-UHFFFAOYSA-N 0 0 438.959 5.216 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000033085275 556855327 /nfs/dbraw/zinc/85/53/27/556855327.db2.gz LLEWSCJMHSPLDA-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085771 556856704 /nfs/dbraw/zinc/85/67/04/556856704.db2.gz LBGOUNRYTINLGG-UHFFFAOYSA-N 0 0 434.927 5.484 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085789 556856813 /nfs/dbraw/zinc/85/68/13/556856813.db2.gz WMFFFSBWLGFCQT-UHFFFAOYSA-N 0 0 448.954 5.874 50 0 IKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1nc2ccccc2nc1N1CCCCC1 ZINC000033086019 556856965 /nfs/dbraw/zinc/85/69/65/556856965.db2.gz WECTUGOXCNQSMR-UHFFFAOYSA-N 0 0 436.515 5.103 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4)cs3)no2)cc1 ZINC000033087410 556857172 /nfs/dbraw/zinc/85/71/72/556857172.db2.gz UBVMEDRUEQKHHD-UHFFFAOYSA-N 0 0 436.562 5.365 50 0 IKAARN CCN1c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2-c2ccccc2S1(=O)=O ZINC000033088712 556858056 /nfs/dbraw/zinc/85/80/56/556858056.db2.gz SUAKHZCAXTUQHD-UHFFFAOYSA-N 0 0 426.925 5.096 50 0 IKAARN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)Nc1cccc2ccccc21)c3=O ZINC000033089203 556858234 /nfs/dbraw/zinc/85/82/34/556858234.db2.gz CAFLFFNDUHAUGJ-ZDUSSCGKSA-N 0 0 433.305 5.287 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)c3ccccc3n2)cc1 ZINC000033106239 556858449 /nfs/dbraw/zinc/85/84/49/556858449.db2.gz IECVTGULVOBAGH-UHFFFAOYSA-N 0 0 431.442 5.781 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)c3ccccc3n2)cc1 ZINC000033106310 556858932 /nfs/dbraw/zinc/85/89/32/556858932.db2.gz GHJCUUMLKKJMSU-UHFFFAOYSA-N 0 0 429.907 5.444 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(C)ccc4C)C3)s2)cc1 ZINC000033113293 556859826 /nfs/dbraw/zinc/85/98/26/556859826.db2.gz XKJOUSHNYHLQKZ-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1C ZINC000033113226 556859864 /nfs/dbraw/zinc/85/98/64/556859864.db2.gz WCNPRBKRWTYLOB-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN COC(=O)c1c2ccc(Br)c(OCc3cccc(C)c3)c2sc1NC(C)=O ZINC000033113671 556860640 /nfs/dbraw/zinc/86/06/40/556860640.db2.gz RNXCADZNBRCPSR-UHFFFAOYSA-N 0 0 448.338 5.296 50 0 IKAARN C[C@@H](Nc1nc2ccccc2nc1S(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033114417 556861203 /nfs/dbraw/zinc/86/12/03/556861203.db2.gz CHCIHOQORKWMNX-MRXNPFEDSA-N 0 0 437.952 5.430 50 0 IKAARN COc1cccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCC(C)C)c1 ZINC000033114615 556861555 /nfs/dbraw/zinc/86/15/55/556861555.db2.gz KSRAPTPJYVWBHK-UHFFFAOYSA-N 0 0 447.604 5.749 50 0 IKAARN CCn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000033116515 556862096 /nfs/dbraw/zinc/86/20/96/556862096.db2.gz YIZPLEBQMUBWAV-UHFFFAOYSA-N 0 0 437.540 5.090 50 0 IKAARN Cc1cc(Sc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n2ncnc2n1 ZINC000033122100 556863027 /nfs/dbraw/zinc/86/30/27/556863027.db2.gz GAPQYPKXCPIKJW-UHFFFAOYSA-N 0 0 444.442 5.247 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(CC)cc3)cc2)n2ncnc2n1 ZINC000033122199 556863160 /nfs/dbraw/zinc/86/31/60/556863160.db2.gz UKKIMSLCUIIRHA-UHFFFAOYSA-N 0 0 432.553 5.434 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000033122179 556863177 /nfs/dbraw/zinc/86/31/77/556863177.db2.gz BPINFXKVPWLQNM-UHFFFAOYSA-N 0 0 436.516 5.238 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(Sc3c(CC)c(C)nc4ncnn43)cc2)cc1 ZINC000033122153 556863218 /nfs/dbraw/zinc/86/32/18/556863218.db2.gz NZAHYFBGHQVJSW-UHFFFAOYSA-N 0 0 432.553 5.353 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccccc3Cl)cc2)n2ncnc2n1 ZINC000033122197 556863260 /nfs/dbraw/zinc/86/32/60/556863260.db2.gz WXLNTELGBFUAMI-UHFFFAOYSA-N 0 0 438.944 5.525 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000033122164 556863270 /nfs/dbraw/zinc/86/32/70/556863270.db2.gz HCJXQNSSEYFIIN-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033124106 556864201 /nfs/dbraw/zinc/86/42/01/556864201.db2.gz NTDJOYSUEUHVQH-UHFFFAOYSA-N 0 0 431.517 5.713 50 0 IKAARN CCOC(=O)C[C@H](NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 ZINC000033124121 556864224 /nfs/dbraw/zinc/86/42/24/556864224.db2.gz HEDTZBZXYHAASV-NRFANRHFSA-N 0 0 445.544 5.779 50 0 IKAARN COC(=O)c1ccc(C)cc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000033124210 556864462 /nfs/dbraw/zinc/86/44/62/556864462.db2.gz NTXBJJOUWSRESK-UHFFFAOYSA-N 0 0 431.517 6.011 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc32)cc1 ZINC000033128689 556865792 /nfs/dbraw/zinc/86/57/92/556865792.db2.gz UWHGFSDQFZSESA-UHFFFAOYSA-N 0 0 439.437 5.861 50 0 IKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000033126166 556866908 /nfs/dbraw/zinc/86/69/08/556866908.db2.gz SOLMXKLTLSVXEH-UHFFFAOYSA-N 0 0 433.562 5.253 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c(C(=O)Nc3ccc(Cl)cc3)cc3c2CCCC3=O)cc1 ZINC000033126774 556867350 /nfs/dbraw/zinc/86/73/50/556867350.db2.gz DTYUTZNDBNAOCK-UHFFFAOYSA-N 0 0 434.923 5.386 50 0 IKAARN CCc1ccccc1NC(=O)c1cc2c(n(-c3ccc(C(C)C)cc3)c1=O)CCCC2=O ZINC000033126785 556867353 /nfs/dbraw/zinc/86/73/53/556867353.db2.gz PVIUMZANAHGWKG-UHFFFAOYSA-N 0 0 428.532 5.295 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1OC ZINC000033126451 556867392 /nfs/dbraw/zinc/86/73/92/556867392.db2.gz XWQPSNRZKUHZNP-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN O=C(CCC(=O)NC1CCCCCCCCCCC1)NC1CCCCCCCCCCC1 ZINC000004672854 556868128 /nfs/dbraw/zinc/86/81/28/556868128.db2.gz ZLSNRSRZBRHQCI-UHFFFAOYSA-N 0 0 448.736 7.346 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc3nc(-c4cccc(Cl)c4)cc(OC)c3c2)c1 ZINC000033129247 556868363 /nfs/dbraw/zinc/86/83/63/556868363.db2.gz ZFAVDGGUPYCSME-UHFFFAOYSA-N 0 0 433.895 6.216 50 0 IKAARN CCc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1 ZINC000033130002 556869498 /nfs/dbraw/zinc/86/94/98/556869498.db2.gz VKMTXVUJQNLLJE-UHFFFAOYSA-N 0 0 448.588 5.343 50 0 IKAARN Cc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)cc2)c1 ZINC000033130268 556870142 /nfs/dbraw/zinc/87/01/42/556870142.db2.gz VYDGMNAMURGWGE-UHFFFAOYSA-N 0 0 434.561 5.135 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccccc4OC)cc3)n2)cc1 ZINC000033130358 556870353 /nfs/dbraw/zinc/87/03/53/556870353.db2.gz UPKCWBNKXVRAGO-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2ccnc(-c3ccc(C(=O)N[C@H](C)c4ccc(C)cc4)cc3)n2)c1 ZINC000033130403 556870376 /nfs/dbraw/zinc/87/03/76/556870376.db2.gz YFWJLFRXOOGASF-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1Cl ZINC000033130441 556870380 /nfs/dbraw/zinc/87/03/80/556870380.db2.gz PKPPYMPMNFVWTA-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1cccc(Oc2ccnc(-c3ccc(C(=O)N[C@@H](C)c4ccc(C)cc4)cc3)n2)c1 ZINC000033130402 556870413 /nfs/dbraw/zinc/87/04/13/556870413.db2.gz YFWJLFRXOOGASF-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1 ZINC000033130506 556870639 /nfs/dbraw/zinc/87/06/39/556870639.db2.gz ZLPWZMQYVULLBV-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NCc3ccccc3C)c2)n1 ZINC000033130543 556870652 /nfs/dbraw/zinc/87/06/52/556870652.db2.gz VWCLPXZVQLPFFA-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)n2)c1 ZINC000033130576 556870845 /nfs/dbraw/zinc/87/08/45/556870845.db2.gz RASHVWLZVYKYMX-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN O=C(Nc1c2cc(F)ccc2[nH]c1-c1cccnc1)Nc1ccccc1Br ZINC000033130754 556871048 /nfs/dbraw/zinc/87/10/48/556871048.db2.gz GFRVAYOASFWZDT-UHFFFAOYSA-N 0 0 425.261 5.776 50 0 IKAARN COc1cc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)cc(OC)c1OC ZINC000033130761 556871070 /nfs/dbraw/zinc/87/10/70/556871070.db2.gz GNYXMSAXGXUZKT-UHFFFAOYSA-N 0 0 436.443 5.039 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2cccnc2)cc1 ZINC000033130739 556871072 /nfs/dbraw/zinc/87/10/72/556871072.db2.gz AISJOALQNTZVOR-UHFFFAOYSA-N 0 0 434.883 5.704 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(-c2ccc(Oc3ccccc3OC)nn2)cc1 ZINC000033130868 556871075 /nfs/dbraw/zinc/87/10/75/556871075.db2.gz HIBHJOAYYLCCGQ-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3)nc(N3CCCC3)c12 ZINC000033130666 556871124 /nfs/dbraw/zinc/87/11/24/556871124.db2.gz WOYJJNHHQPJQSB-UHFFFAOYSA-N 0 0 429.499 5.029 50 0 IKAARN COc1cccc(Oc2ccc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)nn2)c1 ZINC000033130903 556871270 /nfs/dbraw/zinc/87/12/70/556871270.db2.gz LRIMLFXVCMOKBI-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)NCCC4=CCCCC4)c3)nn2)cc1 ZINC000033130981 556871290 /nfs/dbraw/zinc/87/12/90/556871290.db2.gz HXFRMCNQZDTQJZ-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1 ZINC000033131080 556871297 /nfs/dbraw/zinc/87/12/97/556871297.db2.gz PTOBQTGOHYHNKW-UHFFFAOYSA-N 0 0 443.434 5.099 50 0 IKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nn1 ZINC000033130886 556871361 /nfs/dbraw/zinc/87/13/61/556871361.db2.gz OOBZNKOZOHDUDA-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NCc3ccc(C)cc3)c2)nn1 ZINC000033131039 556871378 /nfs/dbraw/zinc/87/13/78/556871378.db2.gz ZSXYZJFATXLSQY-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033139192 556873150 /nfs/dbraw/zinc/87/31/50/556873150.db2.gz BHPFGVHKINHHHX-UHFFFAOYSA-N 0 0 441.556 5.896 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033139222 556874038 /nfs/dbraw/zinc/87/40/38/556874038.db2.gz DLLDZHBNDSXRID-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)nc1 ZINC000033139259 556874080 /nfs/dbraw/zinc/87/40/80/556874080.db2.gz YPWJHSRGNPRQRW-SANMLTNESA-N 0 0 435.527 6.052 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1Cl ZINC000033139243 556874157 /nfs/dbraw/zinc/87/41/57/556874157.db2.gz VYLXODUCNCRBHL-UHFFFAOYSA-N 0 0 429.907 6.458 50 0 IKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)nc2)cc1 ZINC000033139340 556874340 /nfs/dbraw/zinc/87/43/40/556874340.db2.gz XLTJMEWQJWHKQN-UHFFFAOYSA-N 0 0 429.907 5.828 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)c(OC)c1 ZINC000033139331 556874403 /nfs/dbraw/zinc/87/44/03/556874403.db2.gz JUUNNGYUFUONBY-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN O=C(c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1)N1CCCCCC1 ZINC000033139875 556874876 /nfs/dbraw/zinc/87/48/76/556874876.db2.gz DZKUHOYVPWVYCS-UHFFFAOYSA-N 0 0 439.968 6.090 50 0 IKAARN O=C(NCc1ccccn1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139862 556874939 /nfs/dbraw/zinc/87/49/39/556874939.db2.gz GJGSXHQLQQQQNR-UHFFFAOYSA-N 0 0 448.935 5.399 50 0 IKAARN O=C(c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1)N1CCCCC1 ZINC000033139901 556875103 /nfs/dbraw/zinc/87/51/03/556875103.db2.gz HWAYNOHLZHLGOQ-UHFFFAOYSA-N 0 0 425.941 5.700 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(Oc3nccnc3Sc3ccccc3)cc2)c1C ZINC000033139972 556875124 /nfs/dbraw/zinc/87/51/24/556875124.db2.gz PQSSQDXGHCEXKF-UHFFFAOYSA-N 0 0 427.529 6.289 50 0 IKAARN COc1cccc(NC(=O)c2ccc(Oc3nccnc3Sc3ccccc3)cc2)c1 ZINC000033139964 556875141 /nfs/dbraw/zinc/87/51/41/556875141.db2.gz GUYAVSVGNICIJG-UHFFFAOYSA-N 0 0 429.501 5.681 50 0 IKAARN Cc1oc(-c2cccs2)nc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000011224023 556875387 /nfs/dbraw/zinc/87/53/87/556875387.db2.gz XHVLZPYJZSBIGK-UHFFFAOYSA-N 0 0 445.573 5.706 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139994 556875469 /nfs/dbraw/zinc/87/54/69/556875469.db2.gz RKQNHVHPZCWZFX-UHFFFAOYSA-N 0 0 431.561 6.040 50 0 IKAARN Cc1cccc(-c2noc(-c3cc(N4CCN(c5ccccc5)CC4)nc4ccccc43)n2)c1 ZINC000033140379 556876017 /nfs/dbraw/zinc/87/60/17/556876017.db2.gz GCBYPJMZEQOXTA-UHFFFAOYSA-N 0 0 447.542 5.587 50 0 IKAARN Cc1cccc(N2CCN(c3cc(-c4nc(-c5ccccc5)no4)c4ccccc4n3)CC2)c1 ZINC000033140343 556876091 /nfs/dbraw/zinc/87/60/91/556876091.db2.gz LLASDJSSLRTFNP-UHFFFAOYSA-N 0 0 447.542 5.587 50 0 IKAARN CCOc1ccc(C2=C(CN3CCOCC3)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000019721059 556876468 /nfs/dbraw/zinc/87/64/68/556876468.db2.gz NULFYNLVJABQEB-HHHXNRCGSA-N 0 0 427.544 5.353 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(C(C)C)cc1)CC2 ZINC000019732673 556876925 /nfs/dbraw/zinc/87/69/25/556876925.db2.gz LAOABSDSDXASJZ-MHZLTWQESA-N 0 0 435.995 6.628 50 0 IKAARN Clc1ccc(OCCCCNc2ccc(OCCCc3ccccc3)cc2)c(Cl)c1 ZINC000019738421 556876962 /nfs/dbraw/zinc/87/69/62/556876962.db2.gz IRMOCGVPGNWLOG-UHFFFAOYSA-N 0 0 444.402 7.276 50 0 IKAARN CC(=O)Nc1cc(NC(=O)c2ccccc2Oc2cccc(Br)c2)ccc1F ZINC000071972035 556877052 /nfs/dbraw/zinc/87/70/52/556877052.db2.gz NLMGHGPJFCIURD-UHFFFAOYSA-N 0 0 443.272 5.591 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000033141798 556878236 /nfs/dbraw/zinc/87/82/36/556878236.db2.gz JLDJTKOXHXXTEG-UHFFFAOYSA-N 0 0 428.579 5.257 50 0 IKAARN CCCC[C@@H](CC)COc1c2ccsc2c(OC[C@@H](CC)CCCC)c2ccsc21 ZINC000071261111 556879820 /nfs/dbraw/zinc/87/98/20/556879820.db2.gz HATOWNJGYIVNBU-BGYRXZFFSA-N 0 0 446.722 9.306 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169232 556880548 /nfs/dbraw/zinc/88/05/48/556880548.db2.gz WAZOJRIYKDDOQE-UHFFFAOYSA-N 0 0 442.993 6.370 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 ZINC000033168708 556880805 /nfs/dbraw/zinc/88/08/05/556880805.db2.gz RCQJNDRPARCKPC-CTNGQTDRSA-N 0 0 432.593 5.030 50 0 IKAARN Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)c1 ZINC000033169098 556881352 /nfs/dbraw/zinc/88/13/52/556881352.db2.gz CPKWNDQKBVNDPZ-UHFFFAOYSA-N 0 0 449.384 6.379 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4cc(F)cc(F)c4)cc3)sc2c1 ZINC000033169176 556881500 /nfs/dbraw/zinc/88/15/00/556881500.db2.gz MAYLLFUFLALWPJ-UHFFFAOYSA-N 0 0 430.501 5.492 50 0 IKAARN Cc1cc(C)c(-c2csc(Cc3nc(-c4ccc(Br)cc4)no3)n2)cc1C ZINC000033171466 556882372 /nfs/dbraw/zinc/88/23/72/556882372.db2.gz YUMKICPHPYGTDM-UHFFFAOYSA-N 0 0 440.366 6.139 50 0 IKAARN CCc1ccc(-c2csc(Cc3nc(-c4ccc(Br)cc4)no3)n2)cc1 ZINC000033171462 556882380 /nfs/dbraw/zinc/88/23/80/556882380.db2.gz UNNALHXXHHVXME-UHFFFAOYSA-N 0 0 426.339 5.776 50 0 IKAARN O=C(NCc1ccccc1Cl)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000015962708 556882888 /nfs/dbraw/zinc/88/28/88/556882888.db2.gz HESNFYJZMUCIOV-UHFFFAOYSA-N 0 0 441.000 5.480 50 0 IKAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000033173837 556883793 /nfs/dbraw/zinc/88/37/93/556883793.db2.gz QYSPOSJRFKWMIO-UHFFFAOYSA-N 0 0 435.880 5.228 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c1 ZINC000033169293 556884436 /nfs/dbraw/zinc/88/44/36/556884436.db2.gz OZWCVWYVTDAJMI-UHFFFAOYSA-N 0 0 428.488 5.895 50 0 IKAARN COC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c1 ZINC000033169415 556884566 /nfs/dbraw/zinc/88/45/66/556884566.db2.gz ODGBVSSUYSIAMK-UHFFFAOYSA-N 0 0 441.487 6.056 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)Nc2cccc(C)c2)n1 ZINC000033170083 556885425 /nfs/dbraw/zinc/88/54/25/556885425.db2.gz XLRPOYWMRUFTTI-UHFFFAOYSA-N 0 0 448.573 5.320 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)cc1Cc1ccccc1 ZINC000033236029 556888520 /nfs/dbraw/zinc/88/85/20/556888520.db2.gz RFJZBLOHYKEABM-UHFFFAOYSA-N 0 0 448.588 5.155 50 0 IKAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccc(C)cc3)n2)cc1 ZINC000004703239 556888570 /nfs/dbraw/zinc/88/85/70/556888570.db2.gz HRNAVGFKYDZRNB-UHFFFAOYSA-N 0 0 425.536 5.116 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1Cl ZINC000033254350 556890318 /nfs/dbraw/zinc/89/03/18/556890318.db2.gz IVHNMOVFXQETPU-UHFFFAOYSA-N 0 0 427.888 5.317 50 0 IKAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(NCc3ccc(Cl)cc3)ccc2c1 ZINC000033250506 556891450 /nfs/dbraw/zinc/89/14/50/556891450.db2.gz OLBXTGIYGLDGRT-MRXNPFEDSA-N 0 0 429.973 5.063 50 0 IKAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)Nc3cccc(Cl)c3C)c2cc1C ZINC000033251140 556891889 /nfs/dbraw/zinc/89/18/89/556891889.db2.gz DHWQJEIPSREKTH-ZDUSSCGKSA-N 0 0 437.849 5.194 50 0 IKAARN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251101 556891927 /nfs/dbraw/zinc/89/19/27/556891927.db2.gz VJKCGRRMDWVMPJ-GOSISDBHSA-N 0 0 445.485 5.547 50 0 IKAARN CC[C@H](C(=O)Nc1c(C)cccc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251105 556891933 /nfs/dbraw/zinc/89/19/33/556891933.db2.gz SZVMOXQHEROCRA-QGZVFWFLSA-N 0 0 431.458 5.239 50 0 IKAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)Nc3cccc(Cl)c3C)c2cc1C ZINC000033251141 556891940 /nfs/dbraw/zinc/89/19/40/556891940.db2.gz DHWQJEIPSREKTH-CYBMUJFWSA-N 0 0 437.849 5.194 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NCCC4=CCCCC4)[nH]c(=O)c32)C1 ZINC000033252264 556892648 /nfs/dbraw/zinc/89/26/48/556892648.db2.gz MDZCMLKXVBHUEA-KRWDZBQOSA-N 0 0 441.641 5.075 50 0 IKAARN O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033252355 556892949 /nfs/dbraw/zinc/89/29/49/556892949.db2.gz KMUCGLWQNMEFIZ-UHFFFAOYSA-N 0 0 444.922 5.019 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccccc5C)no4)c3)cc2)c1 ZINC000033254871 556894506 /nfs/dbraw/zinc/89/45/06/556894506.db2.gz BRDWOZBVYMURPR-UHFFFAOYSA-N 0 0 449.514 5.518 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccccc5)no4)c3)cc2)cc1 ZINC000033254872 556894582 /nfs/dbraw/zinc/89/45/82/556894582.db2.gz CZIPPNRNCFUIJT-UHFFFAOYSA-N 0 0 435.487 5.209 50 0 IKAARN Cc1ccc(-c2noc(C3CCN(C(=O)Nc4ccc(Br)cc4)CC3)n2)cc1 ZINC000033255248 556894771 /nfs/dbraw/zinc/89/47/71/556894771.db2.gz NDAHBCJRVBHVRM-UHFFFAOYSA-N 0 0 441.329 5.219 50 0 IKAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCCC1=CCCCC1 ZINC000033255167 556894816 /nfs/dbraw/zinc/89/48/16/556894816.db2.gz JGLDVIQEIALWTP-UHFFFAOYSA-N 0 0 443.547 5.207 50 0 IKAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NC1CCCCCC1 ZINC000033255142 556894850 /nfs/dbraw/zinc/89/48/50/556894850.db2.gz IPHOFSVVCMEUBI-UHFFFAOYSA-N 0 0 431.536 5.040 50 0 IKAARN CC1CCN(c2ccc(-c3noc([C@@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc2)CC1 ZINC000033255393 556895021 /nfs/dbraw/zinc/89/50/21/556895021.db2.gz WAQGPGPXAPACSP-GOSISDBHSA-N 0 0 436.943 5.147 50 0 IKAARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(Cc3ccccc3Br)n2)cc1 ZINC000033257207 556895712 /nfs/dbraw/zinc/89/57/12/556895712.db2.gz QIJJZUTWTNWFIG-ZDUSSCGKSA-N 0 0 429.318 5.010 50 0 IKAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2)no1 ZINC000033258327 556895949 /nfs/dbraw/zinc/89/59/49/556895949.db2.gz WXGNFJOYIXFYEN-UHFFFAOYSA-N 0 0 443.910 5.007 50 0 IKAARN COc1ccc(Nc2nc(C)c(NC(=O)CC(C)C)c(Nc3ccc(OC)cc3)n2)cc1 ZINC000033258706 556896602 /nfs/dbraw/zinc/89/66/02/556896602.db2.gz NETFTZGJLBXVTO-UHFFFAOYSA-N 0 0 435.528 5.274 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4cccc(C)c4C)cc3)nn2)c(C)c1C ZINC000072115915 556897967 /nfs/dbraw/zinc/89/79/67/556897967.db2.gz LEPILRBJZKHFGV-UHFFFAOYSA-N 0 0 441.539 5.592 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261201 556898725 /nfs/dbraw/zinc/89/87/25/556898725.db2.gz PZMDIIYVWMTOKO-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1OC ZINC000033261212 556898751 /nfs/dbraw/zinc/89/87/51/556898751.db2.gz QUIHQXLOSAIBPK-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)c(OC)c1 ZINC000033261261 556898768 /nfs/dbraw/zinc/89/87/68/556898768.db2.gz GXAKZXNHJFOZAQ-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)c(OC)c1 ZINC000033261164 556898794 /nfs/dbraw/zinc/89/87/94/556898794.db2.gz PKHABMJMFITGJW-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c(OC)c1 ZINC000033261308 556899591 /nfs/dbraw/zinc/89/95/91/556899591.db2.gz OSWRHSGPGPPHJD-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)c(OC)c1 ZINC000033261353 556900463 /nfs/dbraw/zinc/90/04/63/556900463.db2.gz YQFQXEDUWVADGL-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000072193877 556900666 /nfs/dbraw/zinc/90/06/66/556900666.db2.gz FRZOIZFBFBYKLX-XMMPIXPASA-N 0 0 440.326 5.309 50 0 IKAARN CCc1ccc(-c2ccc(SCc3nc(-c4cc(OC)cc(OC)c4)no3)nn2)cc1 ZINC000033262472 556900727 /nfs/dbraw/zinc/90/07/27/556900727.db2.gz FWNPPRYAULSHKG-UHFFFAOYSA-N 0 0 434.521 5.066 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000072193893 556900734 /nfs/dbraw/zinc/90/07/34/556900734.db2.gz WHIOKINTASSRPX-XMMPIXPASA-N 0 0 440.326 5.309 50 0 IKAARN COc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1OC ZINC000033262518 556900739 /nfs/dbraw/zinc/90/07/39/556900739.db2.gz JPTJBKLYTRLBCJ-UHFFFAOYSA-N 0 0 440.912 5.157 50 0 IKAARN Fc1ccccc1-c1ccc(SCc2nc(-c3ccccc3Br)no2)nn1 ZINC000033262543 556900887 /nfs/dbraw/zinc/90/08/87/556900887.db2.gz FYXPXPFCERGLRS-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3C)nc2c1 ZINC000072260284 556902068 /nfs/dbraw/zinc/90/20/68/556902068.db2.gz TVOLJERRVJQHMR-UHFFFAOYSA-N 0 0 444.531 6.127 50 0 IKAARN COc1ccc(NC(=O)CSCc2ccc(-c3nc(-c4ccc(C)cc4)no3)o2)cc1 ZINC000033262376 556902082 /nfs/dbraw/zinc/90/20/82/556902082.db2.gz SAWKZNCHKNLWTF-UHFFFAOYSA-N 0 0 435.505 5.186 50 0 IKAARN CC(C)(C)c1cc([C@@H](c2cccc3ccccc32)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000019773223 556913467 /nfs/dbraw/zinc/91/34/67/556913467.db2.gz UHDCPMAUPDJITQ-SANMLTNESA-N 0 0 431.620 6.562 50 0 IKAARN CCSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(SCC)n1 ZINC000019798905 556916743 /nfs/dbraw/zinc/91/67/43/556916743.db2.gz VWSRGBZQCJYAMD-UHFFFAOYSA-N 0 0 446.667 5.179 50 0 IKAARN Cc1ccc(C(=O)N[C@H](Nc2cccc(Br)c2)C(Cl)(Cl)Cl)cc1 ZINC000019800267 556917361 /nfs/dbraw/zinc/91/73/61/556917361.db2.gz PLUZDMSVGCWSQG-HNNXBMFYSA-N 0 0 436.564 5.296 50 0 IKAARN Cc1ccc(Cn2c(CCNC(=O)Nc3ccc(C)c(Cl)c3)nc3cccnc32)cc1 ZINC000033263718 556917395 /nfs/dbraw/zinc/91/73/95/556917395.db2.gz HYZROCNFMZIDHX-UHFFFAOYSA-N 0 0 433.943 5.114 50 0 IKAARN COc1cccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000019800593 556917829 /nfs/dbraw/zinc/91/78/29/556917829.db2.gz AQUFUVKHITVSAJ-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)C1=Cc3cc(Cl)ccc3OC=C1)C[C@H](C)CC2 ZINC000019809861 556918543 /nfs/dbraw/zinc/91/85/43/556918543.db2.gz KKSJSDJYTHSLAT-GFCCVEGCSA-N 0 0 429.925 5.241 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000019810093 556918921 /nfs/dbraw/zinc/91/89/21/556918921.db2.gz SAGVKRKBFRONMG-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN Clc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000019810065 556918923 /nfs/dbraw/zinc/91/89/23/556918923.db2.gz TVUJTDUKOUVEEC-UHFFFAOYSA-N 0 0 427.960 7.033 50 0 IKAARN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000019810029 556918963 /nfs/dbraw/zinc/91/89/63/556918963.db2.gz IUENIJLQQMNMOS-UHFFFAOYSA-N 0 0 447.857 5.429 50 0 IKAARN CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2cccc(Cl)c2)cc1 ZINC000019811374 556919071 /nfs/dbraw/zinc/91/90/71/556919071.db2.gz PGSMGOFTLBEAOW-UHFFFAOYSA-N 0 0 439.943 6.418 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(OC)cc2)cc1 ZINC000019810800 556919085 /nfs/dbraw/zinc/91/90/85/556919085.db2.gz VEEGFXBKGNOPKU-UHFFFAOYSA-N 0 0 435.524 5.773 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccc(Cl)c2)cc1 ZINC000019811378 556919107 /nfs/dbraw/zinc/91/91/07/556919107.db2.gz KXJBJAUMUDZUCR-UHFFFAOYSA-N 0 0 435.980 6.587 50 0 IKAARN CC(C)OC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000019811011 556919146 /nfs/dbraw/zinc/91/91/46/556919146.db2.gz TWJSIKHTGSSJHU-UHFFFAOYSA-N 0 0 444.000 5.929 50 0 IKAARN CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccc(Cl)c2)cc1 ZINC000019811552 556919174 /nfs/dbraw/zinc/91/91/74/556919174.db2.gz NIIYQBYXBJXXMS-UHFFFAOYSA-N 0 0 435.980 6.587 50 0 IKAARN O=C(COc1cccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019823403 556924852 /nfs/dbraw/zinc/92/48/52/556924852.db2.gz ZNUYQHSNTGKZDE-UHFFFAOYSA-N 0 0 436.555 5.152 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2F)cc1 ZINC000019823139 556924916 /nfs/dbraw/zinc/92/49/16/556924916.db2.gz MMYCSFXJRVYXBF-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000019823180 556924924 /nfs/dbraw/zinc/92/49/24/556924924.db2.gz QSTWIBAGIGHCFB-SFHVURJKSA-N 0 0 443.576 5.574 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000019823436 556924952 /nfs/dbraw/zinc/92/49/52/556924952.db2.gz BYQYNMMKMHMLAN-UHFFFAOYSA-N 0 0 443.576 5.358 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2cccnc2)cc1 ZINC000019823522 556924980 /nfs/dbraw/zinc/92/49/80/556924980.db2.gz MRGDMRKXLLQCEF-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019823759 556925174 /nfs/dbraw/zinc/92/51/74/556925174.db2.gz DVFDQXYIMXEKEW-UHFFFAOYSA-N 0 0 441.343 5.611 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccco2)cc1 ZINC000019824064 556925401 /nfs/dbraw/zinc/92/54/01/556925401.db2.gz IMOBIQAXZQPHLG-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccco2)cc1 ZINC000019824023 556925445 /nfs/dbraw/zinc/92/54/45/556925445.db2.gz WGJMURAMFFUYTG-UHFFFAOYSA-N 0 0 426.339 5.891 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccs2)cc1 ZINC000019824794 556925622 /nfs/dbraw/zinc/92/56/22/556925622.db2.gz BOAYIAQKQPXQMK-UHFFFAOYSA-N 0 0 425.966 5.933 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccco2)cc1 ZINC000019824438 556925699 /nfs/dbraw/zinc/92/56/99/556925699.db2.gz BZCFYYDZNMPXNG-UHFFFAOYSA-N 0 0 448.548 5.192 50 0 IKAARN COc1ccc(CN2CCN(Cc3ccc(SC)cc3)CC2)cc1OCc1ccccc1 ZINC000019854084 556931150 /nfs/dbraw/zinc/93/11/50/556931150.db2.gz JWULSQDGBNWDJN-UHFFFAOYSA-N 0 0 448.632 5.314 50 0 IKAARN COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878862 556936043 /nfs/dbraw/zinc/93/60/43/556936043.db2.gz PMKFDJRFFOJJQT-QPPBQGQZSA-N 0 0 436.870 5.240 50 0 IKAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(Cl)cc1Cl)c2=O ZINC000019878636 556936168 /nfs/dbraw/zinc/93/61/68/556936168.db2.gz CBQXGTGSHRFQGN-UHFFFAOYSA-N 0 0 433.165 5.836 50 0 IKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000019879299 556936494 /nfs/dbraw/zinc/93/64/94/556936494.db2.gz LCPAFNONMKQDRC-DYESRHJHSA-N 0 0 431.330 5.136 50 0 IKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000019879293 556936541 /nfs/dbraw/zinc/93/65/41/556936541.db2.gz LCPAFNONMKQDRC-UWJYYQICSA-N 0 0 431.330 5.136 50 0 IKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccc(OC)c(OC)c2)CO1 ZINC000019882404 556937318 /nfs/dbraw/zinc/93/73/18/556937318.db2.gz FNTPXNGCLCMZSW-UHFFFAOYSA-N 0 0 443.927 5.158 50 0 IKAARN COc1ccc(CCN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000019882517 556937554 /nfs/dbraw/zinc/93/75/54/556937554.db2.gz SFTJMHPYOYEYRM-UHFFFAOYSA-N 0 0 447.918 5.517 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(CCc3ccc(F)cc3)CO2)cc1 ZINC000019882500 556937559 /nfs/dbraw/zinc/93/75/59/556937559.db2.gz GVKDIRASXSYJJT-UHFFFAOYSA-N 0 0 431.463 5.002 50 0 biogenic IKAARN CCCN1CCc2c(sc3nc(SCCC(C)C)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019882824 556937670 /nfs/dbraw/zinc/93/76/70/556937670.db2.gz IJOZVUVRODKCTH-UHFFFAOYSA-N 0 0 441.666 5.662 50 0 IKAARN COc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 ZINC000019889516 556938827 /nfs/dbraw/zinc/93/88/27/556938827.db2.gz CFBKYKNFFQZGBK-UHFFFAOYSA-N 0 0 436.983 5.245 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccc3ccccc32)n2cnc(-c3ccc(C)cc3C)cc12 ZINC000019892581 556939752 /nfs/dbraw/zinc/93/97/52/556939752.db2.gz QSBDWEZSDCRXOV-UHFFFAOYSA-N 0 0 448.522 6.179 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000019892158 556939811 /nfs/dbraw/zinc/93/98/11/556939811.db2.gz IOTSMFPFDZENLI-RPWUZVMVSA-N 0 0 442.906 5.153 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc(Br)cc3)=NN1[C@H](c1ccccc1)O2 ZINC000019893317 556939905 /nfs/dbraw/zinc/93/99/05/556939905.db2.gz IMALJVZAXDXOPP-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000019893586 556939952 /nfs/dbraw/zinc/93/99/52/556939952.db2.gz CEPQOTUQUFOCSG-FXAWDEMLSA-N 0 0 435.763 6.951 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1oc2ccccc2c1Cl ZINC000019894090 556940004 /nfs/dbraw/zinc/94/00/04/556940004.db2.gz OWWMGAHYXGIFFE-UHFFFAOYSA-N 0 0 434.904 6.624 50 0 IKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccc(Cl)cc1 ZINC000019894317 556940268 /nfs/dbraw/zinc/94/02/68/556940268.db2.gz JJSUJSMONKJXLJ-UHFFFAOYSA-N 0 0 443.761 6.736 50 0 IKAARN O=C(Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1 ZINC000019898924 556941465 /nfs/dbraw/zinc/94/14/65/556941465.db2.gz RHAISYGOKNFPPO-UHFFFAOYSA-N 0 0 444.508 5.318 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019908595 556942553 /nfs/dbraw/zinc/94/25/53/556942553.db2.gz ZLAHWROHXQEFNB-GGXMVOPNSA-N 0 0 430.507 6.106 50 0 IKAARN O=P(Nc1cccc(Cl)c1)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000019913051 556943721 /nfs/dbraw/zinc/94/37/21/556943721.db2.gz CYEAZHMKHQKAIC-UHFFFAOYSA-N 0 0 428.639 7.325 50 0 IKAARN Clc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000019924565 556944571 /nfs/dbraw/zinc/94/45/71/556944571.db2.gz MHFZLGDXRSGUDL-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN CCOc1ccc2[nH]c(S[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000019926681 556945040 /nfs/dbraw/zinc/94/50/40/556945040.db2.gz FXQKQRGYKMYIHQ-QFIPXVFZSA-N 0 0 435.524 5.251 50 0 IKAARN CCOc1ccc2[nH]c(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000019926678 556945070 /nfs/dbraw/zinc/94/50/70/556945070.db2.gz FXQKQRGYKMYIHQ-JOCHJYFZSA-N 0 0 435.524 5.251 50 0 IKAARN c1ccc(CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000019946844 556954614 /nfs/dbraw/zinc/95/46/14/556954614.db2.gz JGFXPKNCPKUXKK-UHFFFAOYSA-N 0 0 448.617 5.247 50 0 IKAARN O=C(NCc1cccc(Br)c1)c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000033264742 556974514 /nfs/dbraw/zinc/97/45/14/556974514.db2.gz ZLHAKSZIZQEZHT-UHFFFAOYSA-N 0 0 434.337 5.041 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccsc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020058912 556975386 /nfs/dbraw/zinc/97/53/86/556975386.db2.gz COHPOYDSHRYTHU-ZHRRBRCNSA-N 0 0 431.517 5.577 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000033265386 556975580 /nfs/dbraw/zinc/97/55/80/556975580.db2.gz YCBCLLJFSRTRHR-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1 ZINC000033265571 556976302 /nfs/dbraw/zinc/97/63/02/556976302.db2.gz BCTAJRNTKVEKFZ-INIZCTEOSA-N 0 0 449.576 5.703 50 0 IKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCN(C)C3 ZINC000033265599 556976406 /nfs/dbraw/zinc/97/64/06/556976406.db2.gz HZGQATGEJOWOHY-AWEZNQCLSA-N 0 0 426.973 5.289 50 0 IKAARN C[C@@H]1CN(C(=O)Cn2cc(SCc3cccc4ccccc43)c3ccccc32)C[C@H](C)O1 ZINC000013954987 556976845 /nfs/dbraw/zinc/97/68/45/556976845.db2.gz HAGBIXZOMRJGGB-BGYRXZFFSA-N 0 0 444.600 5.723 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1C ZINC000033266726 556978012 /nfs/dbraw/zinc/97/80/12/556978012.db2.gz LDWWQCBVXZERMQ-UHFFFAOYSA-N 0 0 443.526 5.007 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c12 ZINC000020070195 556978396 /nfs/dbraw/zinc/97/83/96/556978396.db2.gz OPTALGZFKGVVHA-UHFFFAOYSA-N 0 0 446.270 6.486 50 0 IKAARN FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(COc3ccccc3)nn21 ZINC000020069299 556978400 /nfs/dbraw/zinc/97/84/00/556978400.db2.gz IZKFISALBZOPNS-UHFFFAOYSA-N 0 0 445.444 6.661 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1 ZINC000020069261 556978424 /nfs/dbraw/zinc/97/84/24/556978424.db2.gz IATHFLDBCJQGHZ-UHFFFAOYSA-N 0 0 429.445 7.082 50 0 IKAARN CC(C)CCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020083785 556978960 /nfs/dbraw/zinc/97/89/60/556978960.db2.gz GTGTYEDQRMXJPA-UHFFFAOYSA-N 0 0 425.602 5.149 50 0 IKAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5Cl)o4)cc3)nn12 ZINC000020096437 556979753 /nfs/dbraw/zinc/97/97/53/556979753.db2.gz WIPDTJNPORYCNL-UHFFFAOYSA-N 0 0 449.923 5.005 50 0 IKAARN COc1cc(CNC(=O)c2cc(-c3ccc(C)cc3)on2)ccc1OCc1ccccc1F ZINC000072427728 556979827 /nfs/dbraw/zinc/97/98/27/556979827.db2.gz LFVDIHVPGPAQPY-UHFFFAOYSA-N 0 0 446.478 5.307 50 0 IKAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(I)cc1F ZINC000074938058 556980166 /nfs/dbraw/zinc/98/01/66/556980166.db2.gz JRHSLZWZSXOYMV-UHFFFAOYSA-N 0 0 437.249 5.107 50 0 IKAARN CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCN(Cc1ccccc1)C3 ZINC000020102307 556980549 /nfs/dbraw/zinc/98/05/49/556980549.db2.gz SWRSRPPRIQCXJN-UHFFFAOYSA-N 0 0 433.602 5.036 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NC[C@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267847 556982111 /nfs/dbraw/zinc/98/21/11/556982111.db2.gz BVZPMZNQXIMYRD-IBGZPJMESA-N 0 0 434.927 5.189 50 0 IKAARN COc1cccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)c(OC)c2)c1 ZINC000033267754 556982142 /nfs/dbraw/zinc/98/21/42/556982142.db2.gz CVKXUPXNFIKKSJ-OAQYLSRUSA-N 0 0 445.519 5.147 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033267762 556982200 /nfs/dbraw/zinc/98/22/00/556982200.db2.gz RYOGJYXWIBZWCZ-QFIPXVFZSA-N 0 0 443.547 5.756 50 0 IKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1cccc(Cl)c1 ZINC000033267965 556982348 /nfs/dbraw/zinc/98/23/48/556982348.db2.gz PHNSFQVDSJOBNE-UHFFFAOYSA-N 0 0 441.021 6.789 50 0 IKAARN O=C(Nc1ccc(Cn2cnc(-c3nc(-c4ccccc4)no3)c2)cc1)c1ccc(F)cc1 ZINC000033267960 556982350 /nfs/dbraw/zinc/98/23/50/556982350.db2.gz QFUACLVSJIZTRN-UHFFFAOYSA-N 0 0 439.450 5.040 50 0 IKAARN CCCn1c(SCc2cccc(OC)c2)nc2cc(-c3ccc(C)cc3)sc2c1=O ZINC000033267959 556982354 /nfs/dbraw/zinc/98/23/54/556982354.db2.gz CGUWHXOYIKHFCU-UHFFFAOYSA-N 0 0 436.602 6.144 50 0 IKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1cc(C)ccc1C ZINC000033267971 556982392 /nfs/dbraw/zinc/98/23/92/556982392.db2.gz RNRJCNKBPYRHKE-UHFFFAOYSA-N 0 0 434.630 6.753 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccccc2Cl)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268945 556986704 /nfs/dbraw/zinc/98/67/04/556986704.db2.gz HYBOSMFVYOEIAR-UHFFFAOYSA-N 0 0 426.904 5.228 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(F)cc2Cl)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268979 556986790 /nfs/dbraw/zinc/98/67/90/556986790.db2.gz QQIPNTKEUOGFAM-UHFFFAOYSA-N 0 0 444.894 5.367 50 0 IKAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000033269025 556987071 /nfs/dbraw/zinc/98/70/71/556987071.db2.gz OTUIZGIUQLPJMI-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN CCc1cccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(OC)cc4)cnn32)c1 ZINC000033269041 556987407 /nfs/dbraw/zinc/98/74/07/556987407.db2.gz PIMUSSOEUCQEAV-UHFFFAOYSA-N 0 0 432.549 5.007 50 0 IKAARN O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(COc2cccc3cnccc32)on1 ZINC000020119053 556987573 /nfs/dbraw/zinc/98/75/73/556987573.db2.gz MSCUKMHHEDZWKK-JTHBVZDNSA-N 0 0 427.504 5.258 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000097105089 556987632 /nfs/dbraw/zinc/98/76/32/556987632.db2.gz AVWJONZZGZTIHK-DEOSSOPVSA-N 0 0 430.577 5.309 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)NCc2ccccc2)cc1 ZINC000097104915 556987661 /nfs/dbraw/zinc/98/76/61/556987661.db2.gz AVOUREOPWHVWMR-VWLOTQADSA-N 0 0 428.605 5.287 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OCC(C)C)cc1 ZINC000023055407 556988916 /nfs/dbraw/zinc/98/89/16/556988916.db2.gz LMBXWCLGVDSDJO-UHFFFAOYSA-N 0 0 427.932 5.477 50 0 IKAARN Cc1ccc([C@@H](C)N(C(=O)CCc2c(C)nc3ncnn3c2C)c2cc(C)ccc2F)cc1 ZINC000097163202 556994144 /nfs/dbraw/zinc/99/41/44/556994144.db2.gz CIMCHJXCERKPSX-LJQANCHMSA-N 0 0 445.542 5.224 50 0 IKAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(Br)cc1F ZINC000023074896 556995342 /nfs/dbraw/zinc/99/53/42/556995342.db2.gz JGNBONUYRDKBSU-UHFFFAOYSA-N 0 0 426.591 5.435 50 0 IKAARN CCOc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020176842 556995381 /nfs/dbraw/zinc/99/53/81/556995381.db2.gz QSAWWVRCHDOPCF-OAQYLSRUSA-N 0 0 448.910 5.700 50 0 IKAARN CCOc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020176836 556995415 /nfs/dbraw/zinc/99/54/15/556995415.db2.gz RVTDKPANYPKXCE-NRFANRHFSA-N 0 0 448.910 5.700 50 0 IKAARN Cc1cccc(N2CCN([C@@H](c3nnc(-c4ccccc4F)o3)c3ccccc3)CC2)c1C ZINC000020178556 556995595 /nfs/dbraw/zinc/99/55/95/556995595.db2.gz WQHANZFTIDBCLA-RUZDIDTESA-N 0 0 442.538 5.404 50 0 IKAARN Cc1ccc(C)c(N2CCN([C@@H](c3nnc(-c4ccccc4F)o3)c3ccccc3)CC2)c1 ZINC000020178560 556995764 /nfs/dbraw/zinc/99/57/64/556995764.db2.gz IWRQLJFTIUYNSZ-RUZDIDTESA-N 0 0 442.538 5.404 50 0 IKAARN CCOc1ccccc1C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 ZINC000020190020 556996043 /nfs/dbraw/zinc/99/60/43/556996043.db2.gz OVMHWUDDROHFBR-UHFFFAOYSA-N 0 0 431.517 5.680 50 0 IKAARN CCOc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020189996 556996090 /nfs/dbraw/zinc/99/60/90/556996090.db2.gz MLHJLNBAHGATML-OAQYLSRUSA-N 0 0 433.895 5.308 50 0 IKAARN CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000077292522 556998781 /nfs/dbraw/zinc/99/87/81/556998781.db2.gz XINWBKNKDSKHRI-UHFFFAOYSA-N 0 0 446.927 5.002 50 0 in-vitro IKAARN Cc1n[nH]c(C)c1CN(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000077375196 556999206 /nfs/dbraw/zinc/99/92/06/556999206.db2.gz COHJSSQFIKFEIQ-UHFFFAOYSA-N 0 0 425.536 5.317 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000023099496 557000577 /nfs/dbraw/zinc/00/05/77/557000577.db2.gz QEFIKPUGKVSTOY-NSHDSACASA-N 0 0 432.864 5.344 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CC(=O)c2ccc(Cl)cc2)cc1 ZINC000020248340 557003380 /nfs/dbraw/zinc/00/33/80/557003380.db2.gz VWQUOYJZNLMPRI-AREMUKBSSA-N 0 0 430.935 5.660 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000020248288 557003482 /nfs/dbraw/zinc/00/34/82/557003482.db2.gz LXFWCRUGRNFFDJ-QHCPKHFHSA-N 0 0 437.337 5.822 50 0 IKAARN O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CN1CCCCC1 ZINC000020265839 557004360 /nfs/dbraw/zinc/00/43/60/557004360.db2.gz LCSYSFBFQJRYFP-HZHRSRAPSA-N 0 0 431.561 5.169 50 0 IKAARN CCOc1ccc(-c2cc3c(SCc4cccc(OC)c4)nccn3n2)cc1Cl ZINC000023126602 557008615 /nfs/dbraw/zinc/00/86/15/557008615.db2.gz BUCUCUTUZPLNHK-UHFFFAOYSA-N 0 0 425.941 5.749 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2cccc(SC)c2)c1C ZINC000020356135 557010270 /nfs/dbraw/zinc/01/02/70/557010270.db2.gz OUPQDNHMPGWWAH-UHFFFAOYSA-N 0 0 436.577 5.699 50 0 IKAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011258260 557010337 /nfs/dbraw/zinc/01/03/37/557010337.db2.gz QESUFDSYQXIWLM-UHFFFAOYSA-N 0 0 438.314 5.983 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2cccc(Cl)c2C)c1C ZINC000020356131 557010320 /nfs/dbraw/zinc/01/03/20/557010320.db2.gz LSAXGBNYJLFXRM-UHFFFAOYSA-N 0 0 438.955 5.939 50 0 IKAARN COc1ccc(C)cc1NC(=O)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020357196 557011380 /nfs/dbraw/zinc/01/13/80/557011380.db2.gz WMZIUEMMCLOTJO-NRFANRHFSA-N 0 0 448.910 5.618 50 0 IKAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1ccc(N2CCCC2=O)cc1 ZINC000023127067 557011832 /nfs/dbraw/zinc/01/18/32/557011832.db2.gz HWKNABILCZBFOB-UHFFFAOYSA-N 0 0 447.585 5.081 50 0 IKAARN Cc1nc(COc2cccc(/C=C\C(=O)Nc3ccc(Br)cc3F)c2)cs1 ZINC000098002781 557012318 /nfs/dbraw/zinc/01/23/18/557012318.db2.gz FQCWYUTWBYCDGF-YVMONPNESA-N 0 0 447.329 5.584 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1F ZINC000020395498 557013317 /nfs/dbraw/zinc/01/33/17/557013317.db2.gz MZQPBFOIKUJYAA-FQEVSTJZSA-N 0 0 436.874 5.749 50 0 IKAARN COc1ccc(CN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000020403821 557013333 /nfs/dbraw/zinc/01/33/33/557013333.db2.gz OILFIMDHWRODSN-UHFFFAOYSA-N 0 0 433.891 5.474 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4cccc(Cl)c4)oc3C)cc(C)c12 ZINC000045995315 557015112 /nfs/dbraw/zinc/01/51/12/557015112.db2.gz WEGAWCIFVZQJPZ-UHFFFAOYSA-N 0 0 444.922 6.233 50 0 IKAARN CCOc1ccc2oc(=O)cc(COc3cc(-c4ccccc4)c4c(C)nn(C)c4n3)c2c1 ZINC000045995189 557015123 /nfs/dbraw/zinc/01/51/23/557015123.db2.gz XUNYKTHZQDSYFU-UHFFFAOYSA-N 0 0 441.487 5.028 50 0 IKAARN CC1(C)COP(=O)([C@@H](Nc2ccc(Br)cc2)c2ccc(O)cc2)OC1 ZINC000003110450 557015186 /nfs/dbraw/zinc/01/51/86/557015186.db2.gz YEZJMZFHRAPEEI-QGZVFWFLSA-N 0 0 426.247 5.532 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4cc(C)ccc4C)oc3C)cc(C)c12 ZINC000045995286 557015219 /nfs/dbraw/zinc/01/52/19/557015219.db2.gz HTROKJQSLSIDLR-UHFFFAOYSA-N 0 0 438.531 6.197 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3ccc(Br)cc3F)cc(C)c12 ZINC000045995138 557015224 /nfs/dbraw/zinc/01/52/24/557015224.db2.gz SWEBFFGZJVWHCT-UHFFFAOYSA-N 0 0 444.279 5.657 50 0 IKAARN Cc1nn(C)c2nc(OCc3nc(-c4ccc(Cl)cc4)oc3C)cc(-c3ccccc3)c12 ZINC000045995205 557015242 /nfs/dbraw/zinc/01/52/42/557015242.db2.gz WENABDRNCHWTIR-UHFFFAOYSA-N 0 0 444.922 6.140 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3nc(-c4ccc(C)cc4)oc3C)cc(C)c12 ZINC000045995477 557015456 /nfs/dbraw/zinc/01/54/56/557015456.db2.gz MNTSXROMVLFJGP-UHFFFAOYSA-N 0 0 438.531 6.197 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3c(F)cccc3Cl)cc(C(F)(F)F)c12 ZINC000045995444 557015535 /nfs/dbraw/zinc/01/55/35/557015535.db2.gz NMSVFPJEIANTFG-UHFFFAOYSA-N 0 0 449.835 6.428 50 0 IKAARN O=C(Nc1csc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020431955 557016123 /nfs/dbraw/zinc/01/61/23/557016123.db2.gz OEZARXZSQSVSQK-UHFFFAOYSA-N 0 0 427.573 5.840 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)Nc3ccc(C)cc3)cc(C)c12 ZINC000045990573 557016378 /nfs/dbraw/zinc/01/63/78/557016378.db2.gz PHSVWSHOMJJDBC-UHFFFAOYSA-N 0 0 434.927 5.325 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(Cl)cc2)cc3C)cc1 ZINC000045990633 557016390 /nfs/dbraw/zinc/01/63/90/557016390.db2.gz RMEMDJFIOLQBFP-UHFFFAOYSA-N 0 0 434.927 5.271 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c12 ZINC000045990546 557016409 /nfs/dbraw/zinc/01/64/09/557016409.db2.gz RNLOBKLEXONYGT-QGZVFWFLSA-N 0 0 448.954 5.255 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(F)cc2C)cc3C)cc1 ZINC000045990724 557016467 /nfs/dbraw/zinc/01/64/67/557016467.db2.gz RGPGMDMNHCWWLE-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(C)cc2Cl)cc3C)cc1 ZINC000045990697 557016489 /nfs/dbraw/zinc/01/64/89/557016489.db2.gz YMDOIRSXDSERSV-UHFFFAOYSA-N 0 0 448.954 5.579 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2cccc(SC)c2)cc3C)cc1 ZINC000045990703 557016494 /nfs/dbraw/zinc/01/64/94/557016494.db2.gz SJZHMXVXXWLVNP-UHFFFAOYSA-N 0 0 446.576 5.339 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020432056 557016575 /nfs/dbraw/zinc/01/65/75/557016575.db2.gz RRXPTQSBNHMFOK-UHFFFAOYSA-N 0 0 438.358 5.913 50 0 IKAARN CSc1cccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)c1 ZINC000045990858 557016677 /nfs/dbraw/zinc/01/66/77/557016677.db2.gz XOLFKZZXLZZQGX-UHFFFAOYSA-N 0 0 432.549 5.085 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)Nc3ccc(C(C)C)cc3)cc(C)c12 ZINC000045991011 557016809 /nfs/dbraw/zinc/01/68/09/557016809.db2.gz UDIOCIBLQYTJID-UHFFFAOYSA-N 0 0 432.499 5.317 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3cccc(Cl)c3C)cc(C)c12 ZINC000045991753 557017276 /nfs/dbraw/zinc/01/72/76/557017276.db2.gz UROZODJPKZOQTF-QGZVFWFLSA-N 0 0 434.927 5.405 50 0 IKAARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)-c1cccc3cccc-2c13 ZINC000010687215 557017557 /nfs/dbraw/zinc/01/75/57/557017557.db2.gz CBFJXTLECSCOEI-UHFFFAOYSA-N 0 0 448.569 5.277 50 0 IKAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)cc(-c3ccccc3)c12 ZINC000045992070 557017546 /nfs/dbraw/zinc/01/75/46/557017546.db2.gz VSWMMUBJKQTVIY-LJQANCHMSA-N 0 0 428.536 5.275 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1cccc(Cl)c1C)cc2-c1ccccc1 ZINC000045992324 557017843 /nfs/dbraw/zinc/01/78/43/557017843.db2.gz UZRPNNFUAXKMQQ-KRWDZBQOSA-N 0 0 448.954 5.794 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C)cc2-c1ccccc1 ZINC000045992362 557017898 /nfs/dbraw/zinc/01/78/98/557017898.db2.gz HNCRXHNQPCCCFO-HXUWFJFHSA-N 0 0 442.563 5.758 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1c(C)cccc1C)cc2-c1ccccc1 ZINC000045992266 557017957 /nfs/dbraw/zinc/01/79/57/557017957.db2.gz SUJXCLDTWHOCCS-LJQANCHMSA-N 0 0 428.536 5.449 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000046012212 557018435 /nfs/dbraw/zinc/01/84/35/557018435.db2.gz ZTHJHVXJLJBXGH-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000010691283 557018517 /nfs/dbraw/zinc/01/85/17/557018517.db2.gz CKHYVRQARVNVJJ-HXUWFJFHSA-N 0 0 441.556 5.164 50 0 IKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)NCc3ccccc3Cl)n2)cc1 ZINC000046012195 557018485 /nfs/dbraw/zinc/01/84/85/557018485.db2.gz DVKFXGWKCDJZBS-UHFFFAOYSA-N 0 0 433.895 5.061 50 0 IKAARN CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000046012165 557018518 /nfs/dbraw/zinc/01/85/18/557018518.db2.gz BNLLZQMEMMJUTE-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000046012319 557018722 /nfs/dbraw/zinc/01/87/22/557018722.db2.gz AYNCFODSDMCDKJ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000046012278 557018785 /nfs/dbraw/zinc/01/87/85/557018785.db2.gz BQNRTDYTMVBMRA-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3cccc(Cl)c3)cc(=O)n2o1 ZINC000046012549 557018899 /nfs/dbraw/zinc/01/88/99/557018899.db2.gz UHMZNSIWAQGFBW-UHFFFAOYSA-N 0 0 440.912 5.186 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000046012560 557019034 /nfs/dbraw/zinc/01/90/34/557019034.db2.gz DDYRGGBPGIUZSR-UHFFFAOYSA-N 0 0 442.828 5.859 50 0 IKAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3cc(C)cc(C)c3)cc(=O)n2o1 ZINC000046012558 557019060 /nfs/dbraw/zinc/01/90/60/557019060.db2.gz MWQGFJLNUKKCSU-UHFFFAOYSA-N 0 0 434.521 5.149 50 0 IKAARN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000046012655 557019076 /nfs/dbraw/zinc/01/90/76/557019076.db2.gz FCAZRYSZTHGZFA-UHFFFAOYSA-N 0 0 433.309 5.258 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 ZINC000046012583 557019118 /nfs/dbraw/zinc/01/91/18/557019118.db2.gz RXFBBEWJHYDHDQ-UHFFFAOYSA-N 0 0 442.828 5.859 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C(C)=O)cc3)nn2-c2ccccc2Cl)cc1 ZINC000046012633 557019137 /nfs/dbraw/zinc/01/91/37/557019137.db2.gz VHEXSFXUQROJQE-UHFFFAOYSA-N 0 0 446.894 5.051 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NCC1CCCCC1)c1ccc(Br)o1 ZINC000046004948 557019433 /nfs/dbraw/zinc/01/94/33/557019433.db2.gz MREMMUMWUPKKCF-UHFFFAOYSA-N 0 0 445.313 5.393 50 0 IKAARN COC(=O)c1cccc(NC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)c1 ZINC000046016846 557019687 /nfs/dbraw/zinc/01/96/87/557019687.db2.gz PRRITOJNYSTZOV-UHFFFAOYSA-N 0 0 430.913 5.031 50 0 IKAARN Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)cc1C ZINC000010702608 557019807 /nfs/dbraw/zinc/01/98/07/557019807.db2.gz BFGXWTCCVAONSC-OAHLLOKOSA-N 0 0 446.641 6.948 50 0 IKAARN CCCn1c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2sc1=O ZINC000046017473 557020436 /nfs/dbraw/zinc/02/04/36/557020436.db2.gz LKFROLSJVSQSDW-UHFFFAOYSA-N 0 0 430.595 5.322 50 0 IKAARN CCc1cc(OCC(=O)Nc2c(C)cccc2C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017123 557020476 /nfs/dbraw/zinc/02/04/76/557020476.db2.gz JQYKCIUHFSPBCV-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN Cc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000046020683 557020953 /nfs/dbraw/zinc/02/09/53/557020953.db2.gz ZORUZUKLDWECMH-UHFFFAOYSA-N 0 0 427.552 5.194 50 0 IKAARN CC[C@@H](C(=O)N(Cc1nc2nc(C)c(Cl)c(C)n2n1)c1ccccc1)c1ccccc1 ZINC000046020718 557021002 /nfs/dbraw/zinc/02/10/02/557021002.db2.gz GLJJVYQAKOBKSL-HXUWFJFHSA-N 0 0 433.943 5.122 50 0 IKAARN CCc1ccccc1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 ZINC000046022315 557021917 /nfs/dbraw/zinc/02/19/17/557021917.db2.gz MMWBDKHOLWAWIQ-UHFFFAOYSA-N 0 0 425.623 5.934 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)NCc1ccc(Cl)cc1 ZINC000046022222 557021962 /nfs/dbraw/zinc/02/19/62/557021962.db2.gz NJSJPSCDLTZKIC-UHFFFAOYSA-N 0 0 432.014 5.313 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)NCc1ccccc1Cl ZINC000046022215 557022021 /nfs/dbraw/zinc/02/20/21/557022021.db2.gz MBKJULSOKFBQBR-UHFFFAOYSA-N 0 0 432.014 5.313 50 0 IKAARN Cc1cc(C)c(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c(C)c1 ZINC000046022386 557022219 /nfs/dbraw/zinc/02/22/19/557022219.db2.gz CLQBOJACBVUKKN-UHFFFAOYSA-N 0 0 439.650 6.297 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCC2)N=C1c1cccs1 ZINC000046022376 557022298 /nfs/dbraw/zinc/02/22/98/557022298.db2.gz URBPGKOSWUHHHF-UHFFFAOYSA-N 0 0 433.986 5.254 50 0 IKAARN COc1cc(Cl)c(C)cc1Nc1c2c(nc3nc(-c4ccc(C)cc4)nn31)CCCC2 ZINC000046022824 557022581 /nfs/dbraw/zinc/02/25/81/557022581.db2.gz XOYQDNMNBPVPKY-UHFFFAOYSA-N 0 0 433.943 5.693 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000043220756 557022662 /nfs/dbraw/zinc/02/26/62/557022662.db2.gz FUSHKWNRXGDDCF-QHCPKHFHSA-N 0 0 447.560 6.069 50 0 IKAARN Cc1cc(OCC(=O)NCc2ccccc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016590 557022881 /nfs/dbraw/zinc/02/28/81/557022881.db2.gz KNSYYEOKMLCFJU-UHFFFAOYSA-N 0 0 448.526 5.091 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccccc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016467 557023020 /nfs/dbraw/zinc/02/30/20/557023020.db2.gz NIUZFCZUHMHTKQ-UHFFFAOYSA-N 0 0 434.499 5.413 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3ccc(C)cc3)cc(-c3ccccc3)c12 ZINC000046016625 557023329 /nfs/dbraw/zinc/02/33/29/557023329.db2.gz WXJLMPGSZCGLFR-UHFFFAOYSA-N 0 0 448.526 5.722 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)oc21 ZINC000010749684 557023965 /nfs/dbraw/zinc/02/39/65/557023965.db2.gz BIFORPFVSFPEOA-UHFFFAOYSA-N 0 0 432.423 6.226 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2nc(-c3cc4cccc(OCC)c4o3)cs2)c1 ZINC000010749866 557024306 /nfs/dbraw/zinc/02/43/06/557024306.db2.gz YDVRUAOFMUSNKS-UHFFFAOYSA-N 0 0 436.533 6.386 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(SC(C)C)cc4)n3)oc21 ZINC000010750867 557024315 /nfs/dbraw/zinc/02/43/15/557024315.db2.gz KCMBSVHGNNQJLA-UHFFFAOYSA-N 0 0 438.574 6.708 50 0 IKAARN O=C(c1cc(Cl)sc1Cl)N(CCn1cccn1)c1nc2c(cccc2F)s1 ZINC000023144867 557026475 /nfs/dbraw/zinc/02/64/75/557026475.db2.gz RCUVPNYNEOWUOE-UHFFFAOYSA-N 0 0 441.340 5.347 50 0 IKAARN CSc1cccc(C(=O)N(CCn2cccn2)c2nc3c(cccc3Cl)s2)c1 ZINC000023144757 557026545 /nfs/dbraw/zinc/02/65/45/557026545.db2.gz NPLCWSAIAPOJFI-UHFFFAOYSA-N 0 0 428.970 5.215 50 0 IKAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(Cc3c(F)cccc3Cl)c2n1 ZINC000046053760 557027092 /nfs/dbraw/zinc/02/70/92/557027092.db2.gz YJWGWVDVLSZWGN-UHFFFAOYSA-N 0 0 441.289 5.430 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032944756 557027745 /nfs/dbraw/zinc/02/77/45/557027745.db2.gz QBCGYTJMIODUBP-GOSISDBHSA-N 0 0 445.485 5.493 50 0 IKAARN Cc1ccc(NC(=O)N2CCCN(c3nc4ccccc4n4cccc34)CC2)cc1Cl ZINC000046046816 557028053 /nfs/dbraw/zinc/02/80/53/557028053.db2.gz DQMBBMHSJBOISK-UHFFFAOYSA-N 0 0 433.943 5.194 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056531 557028344 /nfs/dbraw/zinc/02/83/44/557028344.db2.gz GEIYOOUWWGTOBX-LJQANCHMSA-N 0 0 429.907 5.604 50 0 IKAARN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000034651615 557028644 /nfs/dbraw/zinc/02/86/44/557028644.db2.gz FDAJEJPIKYXZFX-WSVQCUFFSA-N 0 0 426.641 6.504 50 0 IKAARN CCN1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000023153876 557028721 /nfs/dbraw/zinc/02/87/21/557028721.db2.gz ALNWRMZYIOYAGA-UHFFFAOYSA-N 0 0 425.623 5.922 50 0 IKAARN CN(c1ccc2sc(C(=O)NC3CCCCCC3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000046058470 557029453 /nfs/dbraw/zinc/02/94/53/557029453.db2.gz XYRFMHGGIIGSRA-UHFFFAOYSA-N 0 0 442.606 5.179 50 0 IKAARN COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 ZINC000022181991 557030809 /nfs/dbraw/zinc/03/08/09/557030809.db2.gz MHXZZTXPCAPMII-UHFFFAOYSA-N 0 0 428.536 5.268 50 0 IKAARN CCCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076156 557032440 /nfs/dbraw/zinc/03/24/40/557032440.db2.gz UHKMOFIAALLFOT-IBGZPJMESA-N 0 0 437.561 6.085 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)ccc1OCC(C)C ZINC000046076890 557032708 /nfs/dbraw/zinc/03/27/08/557032708.db2.gz BCSFXOPPAWSLNH-GOSISDBHSA-N 0 0 425.525 6.072 50 0 IKAARN Cc1cccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2cc(C)ccc2NC3=O)c1 ZINC000046077554 557033226 /nfs/dbraw/zinc/03/32/26/557033226.db2.gz SYZMHWMIRKYIDY-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077645 557033231 /nfs/dbraw/zinc/03/32/31/557033231.db2.gz WPKUUSJEPKBUIR-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N(C)c3ccccc3C)cc1C(=O)N2 ZINC000046077541 557033250 /nfs/dbraw/zinc/03/32/50/557033250.db2.gz VNEQMERHLJCLTE-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1cccc(C)c1N(C)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077674 557033282 /nfs/dbraw/zinc/03/32/82/557033282.db2.gz CSNRXEUVJYILID-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1cccc(Oc2ccc(NC(=O)CCn3c(=S)[nH]nc3-c3cccc(C)c3)cc2)c1 ZINC000010832550 557033276 /nfs/dbraw/zinc/03/32/76/557033276.db2.gz KTXUIJDLKDYUTK-UHFFFAOYSA-N 0 0 444.560 6.046 50 0 IKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Br)cc4)ccc32)cc1 ZINC000046078567 557033526 /nfs/dbraw/zinc/03/35/26/557033526.db2.gz ROMIZEWLQIWLNJ-UHFFFAOYSA-N 0 0 449.348 5.603 50 0 IKAARN O=C(Nc1ccccc1Br)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078431 557033586 /nfs/dbraw/zinc/03/35/86/557033586.db2.gz IUJPHPOTBGRJSE-UHFFFAOYSA-N 0 0 435.321 5.294 50 0 IKAARN O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078790 557033840 /nfs/dbraw/zinc/03/38/40/557033840.db2.gz SYONJXITQANDFM-UHFFFAOYSA-N 0 0 426.850 5.464 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000046079596 557034558 /nfs/dbraw/zinc/03/45/58/557034558.db2.gz JXAFDJNANVPIDK-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079751 557035047 /nfs/dbraw/zinc/03/50/47/557035047.db2.gz QERLCLNYHOGRKL-UHFFFAOYSA-N 0 0 445.494 5.113 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079704 557035054 /nfs/dbraw/zinc/03/50/54/557035054.db2.gz KZJYSEAAHLZPMV-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079702 557035064 /nfs/dbraw/zinc/03/50/64/557035064.db2.gz LKVOVFVQPXHNMO-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1ccccc1F)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000046079649 557035073 /nfs/dbraw/zinc/03/50/73/557035073.db2.gz VDERJSUHMCWOSN-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)NCCC4=CCCCC4)c3)C2=O)cc1 ZINC000046079894 557035271 /nfs/dbraw/zinc/03/52/71/557035271.db2.gz FEPMOFSLIGSRHE-UHFFFAOYSA-N 0 0 431.580 5.448 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000046079864 557035326 /nfs/dbraw/zinc/03/53/26/557035326.db2.gz KLYNAAJAWLAZBI-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)C1=O ZINC000046079851 557035376 /nfs/dbraw/zinc/03/53/76/557035376.db2.gz YDPZFGSEQPLIEA-NRFANRHFSA-N 0 0 427.548 5.318 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C)c3nnc(-c4ccccc4)o3)nc(=O)c12 ZINC000017189520 557035575 /nfs/dbraw/zinc/03/55/75/557035575.db2.gz PHBUZFXTAKBFTL-JSGCOSHPSA-N 0 0 440.594 5.785 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)no2)cc1OC ZINC000046086913 557035831 /nfs/dbraw/zinc/03/58/31/557035831.db2.gz ZSMVSWYGUHHWLY-UHFFFAOYSA-N 0 0 441.443 5.419 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)no2)cc1OC ZINC000046086847 557035985 /nfs/dbraw/zinc/03/59/85/557035985.db2.gz WCTHROUJQLLFRK-CQSZACIVSA-N 0 0 441.553 5.219 50 0 IKAARN CCOc1cc(C(=O)Nc2nnc(/C=C/c3ccccc3)s2)cc(OCC)c1OCC ZINC000017206855 557038490 /nfs/dbraw/zinc/03/84/90/557038490.db2.gz NPRIGKQOCDWLLI-OUKQBFOZSA-N 0 0 439.537 5.157 50 0 IKAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1Cl ZINC000017196808 557039892 /nfs/dbraw/zinc/03/98/92/557039892.db2.gz MEMHDOVIZZTWSV-WQRHYEAKSA-N 0 0 441.965 5.921 50 0 IKAARN FC(F)Sc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200382 557040125 /nfs/dbraw/zinc/04/01/25/557040125.db2.gz KAXJTLDCQKSXCO-UHFFFAOYSA-N 0 0 438.507 5.474 50 0 IKAARN C[C@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 ZINC000017245330 557044452 /nfs/dbraw/zinc/04/44/52/557044452.db2.gz BHMSXMWLKZVLTC-INIZCTEOSA-N 0 0 443.469 5.650 50 0 IKAARN CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 ZINC000051358012 557045348 /nfs/dbraw/zinc/04/53/48/557045348.db2.gz BLHQJEOQDHVYBR-UHFFFAOYSA-N 0 0 431.113 5.114 50 0 IKAARN CCN1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017288790 557045700 /nfs/dbraw/zinc/04/57/00/557045700.db2.gz MVUHQUIKLOSFAS-UHFFFAOYSA-N 0 0 449.601 5.664 50 0 IKAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1ccc(C)cc1)cc2C ZINC000017297450 557047439 /nfs/dbraw/zinc/04/74/39/557047439.db2.gz MWJVIWDPRPPUHM-UHFFFAOYSA-N 0 0 445.265 5.021 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4c(C)cccc4Cl)n3)nc2c1 ZINC000033270867 557047719 /nfs/dbraw/zinc/04/77/19/557047719.db2.gz RGCGADPBCUNSJP-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)cc1C ZINC000033271026 557048497 /nfs/dbraw/zinc/04/84/97/557048497.db2.gz RCAQCDDRKJBEAZ-UHFFFAOYSA-N 0 0 435.553 5.043 50 0 IKAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c1 ZINC000033271023 557048641 /nfs/dbraw/zinc/04/86/41/557048641.db2.gz GVVULGJXZVYDHJ-UHFFFAOYSA-N 0 0 435.553 5.043 50 0 IKAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 ZINC000022925421 557048710 /nfs/dbraw/zinc/04/87/10/557048710.db2.gz XUGORGRQDZDQJO-UHFFFAOYSA-N 0 0 446.600 5.256 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271489 557049086 /nfs/dbraw/zinc/04/90/86/557049086.db2.gz WYQLHXUIAPUWAW-GOSISDBHSA-N 0 0 432.549 5.362 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)N(Cc2ccccn2)C(C)C)c2cnn(C(C)C)c2n1 ZINC000048260739 557049240 /nfs/dbraw/zinc/04/92/40/557049240.db2.gz FMZAANSBZZDCIK-UHFFFAOYSA-N 0 0 427.552 5.433 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000048261803 557049499 /nfs/dbraw/zinc/04/94/99/557049499.db2.gz GHESYNPCMVOORW-JOCHJYFZSA-N 0 0 447.501 5.283 50 0 IKAARN CC(C)c1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2cnn(C(C)C)c2n1 ZINC000048261449 557049579 /nfs/dbraw/zinc/04/95/79/557049579.db2.gz TXGPICMHWKKWID-XMMPIXPASA-N 0 0 427.552 5.392 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C(C)C)cc3)sc2c1 ZINC000033271742 557049727 /nfs/dbraw/zinc/04/97/27/557049727.db2.gz FUALZHZZFJLGGZ-LJQANCHMSA-N 0 0 446.576 5.787 50 0 IKAARN Cc1nc(COc2cccc(C(=O)N(C3=NC[C@@H](C)S3)C3CCCCC3)c2)cs1 ZINC000048263586 557050181 /nfs/dbraw/zinc/05/01/81/557050181.db2.gz IFONPIXBIPCKPP-OAHLLOKOSA-N 0 0 429.611 5.297 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033272016 557050793 /nfs/dbraw/zinc/05/07/93/557050793.db2.gz OXWASBLNSLBGNL-UHFFFAOYSA-N 0 0 426.925 5.015 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000048272420 557050869 /nfs/dbraw/zinc/05/08/69/557050869.db2.gz AFZUTMCKOPVXAQ-HXUWFJFHSA-N 0 0 430.335 5.560 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)c3ccccc3n2)cc1 ZINC000033272331 557051213 /nfs/dbraw/zinc/05/12/13/557051213.db2.gz PDZFBTNKXGJQMH-UHFFFAOYSA-N 0 0 448.526 5.314 50 0 IKAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2S[C@H](C)c2ccccc2)cc1 ZINC000017315065 557053113 /nfs/dbraw/zinc/05/31/13/557053113.db2.gz XANMORFDPBPOSQ-QGZVFWFLSA-N 0 0 441.556 6.119 50 0 IKAARN CN(C(=O)c1cc(-c2cccs2)nc2ccccc21)[C@H](c1ccccc1)c1ccccn1 ZINC000048287569 557053151 /nfs/dbraw/zinc/05/31/51/557053151.db2.gz WSDMMXAVPWTFCS-AREMUKBSSA-N 0 0 435.552 6.220 50 0 IKAARN CCn1c(CCc2ccccc2NS(=O)(=O)c2cc(C)cc(C)c2)nc2ccccc21 ZINC000033275363 557053948 /nfs/dbraw/zinc/05/39/48/557053948.db2.gz FGQRFGSJJKUVFO-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000022964107 557054718 /nfs/dbraw/zinc/05/47/18/557054718.db2.gz VPOQGUPZJYOMBF-NRFANRHFSA-N 0 0 443.528 5.333 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccccc3Cl)cc2)n2nc(C)nc2n1 ZINC000033276004 557054966 /nfs/dbraw/zinc/05/49/66/557054966.db2.gz MFLGJCVLAATAEY-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000033275960 557054972 /nfs/dbraw/zinc/05/49/72/557054972.db2.gz QLHLSEYWAYOYHB-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)CC1 ZINC000022966924 557055130 /nfs/dbraw/zinc/05/51/30/557055130.db2.gz PHCJHWCBPNPUIF-UHFFFAOYSA-N 0 0 432.398 5.012 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OCc3ccc(Cl)nc3)[C@H]2c2cccs2)cc1 ZINC000022966424 557055200 /nfs/dbraw/zinc/05/52/00/557055200.db2.gz OPDZZPYVVMCCRZ-AVRDEDQJSA-N 0 0 440.952 5.333 50 0 IKAARN CC[C@@H](NC(=O)CSc1ncnc2sc(C)c(C)c21)c1nc(-c2ccccc2)c[nH]1 ZINC000048291132 557055686 /nfs/dbraw/zinc/05/56/86/557055686.db2.gz QUWWFEPVTXZBDB-MRXNPFEDSA-N 0 0 437.594 5.058 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3cccnc3)nc3ccccc32)o1 ZINC000048291126 557055767 /nfs/dbraw/zinc/05/57/67/557055767.db2.gz FLWSRCNHUWFLNK-CQSZACIVSA-N 0 0 445.479 5.505 50 0 IKAARN Cc1ccc(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000032948340 557056090 /nfs/dbraw/zinc/05/60/90/557056090.db2.gz YJRNMHKJWIWJSM-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nc(SCC)nn21 ZINC000017315910 557056614 /nfs/dbraw/zinc/05/66/14/557056614.db2.gz LLROPGPSFYIHEA-NRFANRHFSA-N 0 0 449.580 5.025 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 ZINC000048286196 557058059 /nfs/dbraw/zinc/05/80/59/557058059.db2.gz VIIJBPMOIDSXMW-UHFFFAOYSA-N 0 0 431.515 5.184 50 0 IKAARN Cc1ccc(-n2ccnc2SCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000033278090 557058552 /nfs/dbraw/zinc/05/85/52/557058552.db2.gz WOHUOQVLVKFXHP-UHFFFAOYSA-N 0 0 427.327 5.286 50 0 IKAARN CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C ZINC000010876276 557059888 /nfs/dbraw/zinc/05/98/88/557059888.db2.gz QYLIDYKDMHYPKL-KRWDZBQOSA-N 0 0 443.638 5.185 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000033278482 557060100 /nfs/dbraw/zinc/06/01/00/557060100.db2.gz SAMLPSVCINSNDR-UHFFFAOYSA-N 0 0 441.487 5.406 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278122 557060188 /nfs/dbraw/zinc/06/01/88/557060188.db2.gz CAKDNAXOPBZOJH-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000017332142 557060356 /nfs/dbraw/zinc/06/03/56/557060356.db2.gz DCFUCSGKVBEXGV-UHFFFAOYSA-N 0 0 449.293 7.314 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OC)c3c2)cc1 ZINC000033278646 557060404 /nfs/dbraw/zinc/06/04/04/557060404.db2.gz KWVZDQYQTDJKNQ-UHFFFAOYSA-N 0 0 447.922 6.607 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc21 ZINC000033278520 557060477 /nfs/dbraw/zinc/06/04/77/557060477.db2.gz HFWVYQSHBKRDIV-UHFFFAOYSA-N 0 0 445.950 7.215 50 0 IKAARN CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1ccccc1Cl ZINC000048310238 557060554 /nfs/dbraw/zinc/06/05/54/557060554.db2.gz CENSSLITUKKMIS-UHFFFAOYSA-N 0 0 428.989 5.231 50 0 IKAARN Cn1c2ccccc2nc1[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000048310365 557060574 /nfs/dbraw/zinc/06/05/74/557060574.db2.gz FTBSFIRDTDKPKR-JOCHJYFZSA-N 0 0 440.330 5.165 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)n1 ZINC000082230355 557061595 /nfs/dbraw/zinc/06/15/95/557061595.db2.gz ZTDZUXBBYFVHGP-UHFFFAOYSA-N 0 0 434.519 5.610 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000082230598 557061932 /nfs/dbraw/zinc/06/19/32/557061932.db2.gz WZNCTECNVUYCFB-UHFFFAOYSA-N 0 0 434.569 5.495 50 0 IKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 ZINC000048300165 557062097 /nfs/dbraw/zinc/06/20/97/557062097.db2.gz IRIIQHXENVBADF-UHFFFAOYSA-N 0 0 438.462 5.579 50 0 IKAARN Cc1nc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)n(C[C@@H]2CCCO2)c1C ZINC000023077360 557062158 /nfs/dbraw/zinc/06/21/58/557062158.db2.gz DDBPKJGTPURQFF-QHCPKHFHSA-N 0 0 449.620 5.019 50 0 IKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 ZINC000048301000 557062381 /nfs/dbraw/zinc/06/23/81/557062381.db2.gz ICKKAABYZQTRRC-VWLOTQADSA-N 0 0 434.499 5.455 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3)nc(N3CCCCC3)c12 ZINC000033279968 557062515 /nfs/dbraw/zinc/06/25/15/557062515.db2.gz ROHUEWYHBZKAQM-UHFFFAOYSA-N 0 0 443.526 5.419 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccccc3Cl)nc(N3CCCC3)c12 ZINC000033279942 557062573 /nfs/dbraw/zinc/06/25/73/557062573.db2.gz PBLRHVVFWWYQSB-UHFFFAOYSA-N 0 0 445.954 5.543 50 0 IKAARN CCOC(=O)C[C@@H](NC(=O)Nc1c2cc(F)ccc2[nH]c1-c1ccncc1)c1ccccc1 ZINC000033280001 557062860 /nfs/dbraw/zinc/06/28/60/557062860.db2.gz BXWMBPGEFIRPMS-OAQYLSRUSA-N 0 0 446.482 5.185 50 0 IKAARN CSc1cccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)c1 ZINC000033288224 557065292 /nfs/dbraw/zinc/06/52/92/557065292.db2.gz BDSAOEMAJHHJEY-UHFFFAOYSA-N 0 0 434.565 5.154 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c(C)c1 ZINC000023126938 557065462 /nfs/dbraw/zinc/06/54/62/557065462.db2.gz CGIIUAJRFJPKHO-UHFFFAOYSA-N 0 0 437.952 5.342 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000033288226 557065517 /nfs/dbraw/zinc/06/55/17/557065517.db2.gz AUDLLUZOGKEIHO-UHFFFAOYSA-N 0 0 430.552 5.556 50 0 IKAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000033288318 557065620 /nfs/dbraw/zinc/06/56/20/557065620.db2.gz UMSRYZNSQGIHJY-UHFFFAOYSA-N 0 0 434.515 5.134 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3cccc(F)c3C)C2)cc1 ZINC000033288483 557065746 /nfs/dbraw/zinc/06/57/46/557065746.db2.gz PCARCXYNDYSBDI-GOSISDBHSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000033288418 557065881 /nfs/dbraw/zinc/06/58/81/557065881.db2.gz STOVMDCXSJQECD-QGZVFWFLSA-N 0 0 438.984 5.445 50 0 IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)cc1 ZINC000023128822 557065997 /nfs/dbraw/zinc/06/59/97/557065997.db2.gz YVYBIVIJPRIYAZ-MHZLTWQESA-N 0 0 449.558 5.295 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c2ccccc2n1 ZINC000033288701 557066107 /nfs/dbraw/zinc/06/61/07/557066107.db2.gz WHDJEZJDGYQYBY-LCYFTJDESA-N 0 0 447.582 5.681 50 0 IKAARN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NCc2ccncc2)cc1 ZINC000033289201 557066463 /nfs/dbraw/zinc/06/64/63/557066463.db2.gz GLDWTQAQOHWHNV-UHFFFAOYSA-N 0 0 428.517 5.054 50 0 IKAARN CC(=O)Nc1cc(C(=O)O[C@@H](c2nc3cc(Cl)ccc3[nH]2)c2ccccc2)ccc1C ZINC000048325857 557066611 /nfs/dbraw/zinc/06/66/11/557066611.db2.gz RCTPVFZNDSKNMV-JOCHJYFZSA-N 0 0 433.895 5.430 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000017344580 557066724 /nfs/dbraw/zinc/06/67/24/557066724.db2.gz XOZJEVZFUAUMRR-KRWDZBQOSA-N 0 0 435.574 5.554 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000017344584 557066769 /nfs/dbraw/zinc/06/67/69/557066769.db2.gz QQICRVJSBTVZQS-AWEZNQCLSA-N 0 0 441.603 5.616 50 0 IKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NC1(c2ccc(Br)cc2)CC1 ZINC000048312412 557066864 /nfs/dbraw/zinc/06/68/64/557066864.db2.gz SYFRRUQBXZASNI-UHFFFAOYSA-N 0 0 447.785 5.574 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)c2)cs1 ZINC000023135672 557067127 /nfs/dbraw/zinc/06/71/27/557067127.db2.gz BRRCECFLGBVCFL-UHFFFAOYSA-N 0 0 438.512 5.070 50 0 IKAARN CC1CCN(C(=O)c2ccc(Oc3ccc(NC(=O)CC4CCCCC4)cn3)cc2)CC1 ZINC000033281384 557067184 /nfs/dbraw/zinc/06/71/84/557067184.db2.gz WSWIMWMRDRIQSO-UHFFFAOYSA-N 0 0 435.568 5.655 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCCCC4)cc3)nc2)cc1C ZINC000033281372 557067199 /nfs/dbraw/zinc/06/71/99/557067199.db2.gz FYKRNMVSFMTMLQ-UHFFFAOYSA-N 0 0 429.520 5.369 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)cc1 ZINC000033281380 557067267 /nfs/dbraw/zinc/06/72/67/557067267.db2.gz GIGBMVYDUSJCJX-UHFFFAOYSA-N 0 0 443.547 5.561 50 0 IKAARN COc1cccc([C@H]2CCCN2C(=O)c2sc(COc3ccc(F)cc3)nc2C)c1 ZINC000048313682 557067623 /nfs/dbraw/zinc/06/76/23/557067623.db2.gz WUUFPHZIWMINRI-HXUWFJFHSA-N 0 0 426.513 5.156 50 0 IKAARN CCOc1ccc(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)cc1OCC ZINC000033282167 557067847 /nfs/dbraw/zinc/06/78/47/557067847.db2.gz OTGUSOWVVBSDAT-UHFFFAOYSA-N 0 0 435.545 6.197 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)c(C)c1 ZINC000033283652 557068632 /nfs/dbraw/zinc/06/86/32/557068632.db2.gz PZTRDVNLFLECBU-HXUWFJFHSA-N 0 0 432.568 5.154 50 0 IKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1Cl ZINC000048331499 557069136 /nfs/dbraw/zinc/06/91/36/557069136.db2.gz IFRVTYKDTMZSMX-UHFFFAOYSA-N 0 0 425.735 5.997 50 0 IKAARN COc1ccc(/C=C\C(=O)Nc2ccc(C)cc2NC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000033291079 557069415 /nfs/dbraw/zinc/06/94/15/557069415.db2.gz USZWQJDYHCWDIV-CQRYCMKKSA-N 0 0 442.515 5.316 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(-n3ccnc3C)c(F)c2)o1 ZINC000048341446 557070901 /nfs/dbraw/zinc/07/09/01/557070901.db2.gz BGMAYIQDSWFVEL-UHFFFAOYSA-N 0 0 441.466 5.326 50 0 IKAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)c(C)c1 ZINC000033290006 557071790 /nfs/dbraw/zinc/07/17/90/557071790.db2.gz UWIJYRUHUNBFGU-UHFFFAOYSA-N 0 0 435.640 5.444 50 0 IKAARN CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)cnc21 ZINC000048353741 557072248 /nfs/dbraw/zinc/07/22/48/557072248.db2.gz UVVVHPNSLGKOGZ-UHFFFAOYSA-N 0 0 436.519 5.176 50 0 IKAARN Cc1ccccc1N1CCN(CN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)CC1 ZINC000033294658 557072521 /nfs/dbraw/zinc/07/25/21/557072521.db2.gz YLPAHICPGZEJJC-QJOMJCCJSA-N 0 0 449.620 5.109 50 0 IKAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000048354237 557072618 /nfs/dbraw/zinc/07/26/18/557072618.db2.gz TYPLQHPROZETHO-UHFFFAOYSA-N 0 0 426.394 5.744 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3ccncc3)nc3ccccc32)o1 ZINC000048354522 557072649 /nfs/dbraw/zinc/07/26/49/557072649.db2.gz FGYZYRMZCWLDLL-CQSZACIVSA-N 0 0 445.479 5.505 50 0 IKAARN CC[C@@H](NC(=O)C=Cc1cc(Cl)c(OC)c(OC)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000048354606 557072921 /nfs/dbraw/zinc/07/29/21/557072921.db2.gz OUBZWBDGDWXLAW-DOJUMQAQSA-N 0 0 425.916 5.028 50 0 IKAARN CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3ccc(Cl)cc3)c2)n1 ZINC000033297738 557073172 /nfs/dbraw/zinc/07/31/72/557073172.db2.gz PDPRWPPWLHDIEZ-UHFFFAOYSA-N 0 0 427.016 5.202 50 0 IKAARN CC(C)Oc1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)cc1 ZINC000033297733 557073231 /nfs/dbraw/zinc/07/32/31/557073231.db2.gz BYNZXPYHRIZGLI-UHFFFAOYSA-N 0 0 436.624 5.261 50 0 IKAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCc3ccc(F)c(Cl)c3)c2)n1 ZINC000033297810 557073620 /nfs/dbraw/zinc/07/36/20/557073620.db2.gz NVLVJKZYSLOCPL-UHFFFAOYSA-N 0 0 445.006 5.440 50 0 IKAARN COc1ccc(Cn2ccc3c2ccnc3SCC(=O)NCCC2=CCCCC2)cc1 ZINC000033298452 557074280 /nfs/dbraw/zinc/07/42/80/557074280.db2.gz UUWUYHOHEYWCCP-UHFFFAOYSA-N 0 0 435.593 5.192 50 0 IKAARN Cc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccccc2)cc1 ZINC000023222303 557074240 /nfs/dbraw/zinc/07/42/40/557074240.db2.gz GPISDNOZJJOVAK-UHFFFAOYSA-N 0 0 431.546 5.647 50 0 IKAARN O=C(CNC1(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Br)cc1F ZINC000048366854 557075327 /nfs/dbraw/zinc/07/53/27/557075327.db2.gz BQFOYMGYDSTFEG-UHFFFAOYSA-N 0 0 432.120 5.112 50 0 IKAARN Cc1sc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1-c1cc(C(F)(F)F)on1 ZINC000033299351 557077590 /nfs/dbraw/zinc/07/75/90/557077590.db2.gz DWZQDULEIHJTBO-UHFFFAOYSA-N 0 0 442.484 5.180 50 0 IKAARN Cc1sc(C)c(S(=O)(=O)NC[C@H](C)c2ccccc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299376 557077959 /nfs/dbraw/zinc/07/79/59/557077959.db2.gz ZBRLODVHUROTPD-NSHDSACASA-N 0 0 444.500 5.121 50 0 IKAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)NC1CCCCCCC1 ZINC000048991323 557080707 /nfs/dbraw/zinc/08/07/07/557080707.db2.gz MYZQXSUFPPRTBK-UHFFFAOYSA-N 0 0 441.018 5.069 50 0 IKAARN COc1ccc(Oc2cc(NC(=O)Cc3csc(-c4ccccc4)n3)ccc2OC)cc1 ZINC000011293999 557080970 /nfs/dbraw/zinc/08/09/70/557080970.db2.gz OJFWUFZGKSECMZ-UHFFFAOYSA-N 0 0 446.528 5.801 50 0 IKAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cccc(Cl)c3)n2)c1 ZINC000049001796 557081172 /nfs/dbraw/zinc/08/11/72/557081172.db2.gz GBNLDRPTYARGPN-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN COc1cc(OC)c(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)cc1Cl ZINC000048986024 557082300 /nfs/dbraw/zinc/08/23/00/557082300.db2.gz JBJIHBNDDUZEBT-UHFFFAOYSA-N 0 0 439.943 5.521 50 0 IKAARN CCc1cccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc32)c1 ZINC000048989340 557083310 /nfs/dbraw/zinc/08/33/10/557083310.db2.gz SWOKYMNADAYYDI-KRWDZBQOSA-N 0 0 433.552 5.430 50 0 IKAARN Cc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1 ZINC000033301541 557083390 /nfs/dbraw/zinc/08/33/90/557083390.db2.gz NSRWYAFKARRWIJ-UHFFFAOYSA-N 0 0 435.446 5.649 50 0 IKAARN COc1ccccc1N(Cc1nc(-c2cccc(C)c2)oc1C)S(=O)(=O)c1ccccc1 ZINC000048989965 557083626 /nfs/dbraw/zinc/08/36/26/557083626.db2.gz HTPMJKNCUAGYGW-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC[C@@H]3CC)cnc3nc(C)ccc32)cc1 ZINC000049005002 557083967 /nfs/dbraw/zinc/08/39/67/557083967.db2.gz SSSRTWZIJCRXJF-FQEVSTJZSA-N 0 0 446.551 5.263 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)cc(OC)c1 ZINC000049005109 557084233 /nfs/dbraw/zinc/08/42/33/557084233.db2.gz PCDBKMOOALSZKJ-GOSISDBHSA-N 0 0 434.540 5.104 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(C(F)(F)F)cc2)n1 ZINC000049005181 557084263 /nfs/dbraw/zinc/08/42/63/557084263.db2.gz HIBOMKGTBACGTO-HNNXBMFYSA-N 0 0 428.458 5.715 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000049005374 557084266 /nfs/dbraw/zinc/08/42/66/557084266.db2.gz SWICSWGEJOYCLA-CQSZACIVSA-N 0 0 444.457 5.453 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2cccc(OC(F)(F)F)c2)n1 ZINC000049005420 557084520 /nfs/dbraw/zinc/08/45/20/557084520.db2.gz XMFMDJSHDVQUOT-CQSZACIVSA-N 0 0 444.457 5.453 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2cccc(Br)c2)n1 ZINC000049005416 557084556 /nfs/dbraw/zinc/08/45/56/557084556.db2.gz OZWCCNLORZFMJJ-CQSZACIVSA-N 0 0 439.357 5.316 50 0 IKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1Br ZINC000049005603 557084606 /nfs/dbraw/zinc/08/46/06/557084606.db2.gz MAYQWFIKEZMVKI-UHFFFAOYSA-N 0 0 431.309 5.065 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc(-c2cccnc2)n1 ZINC000049007076 557085667 /nfs/dbraw/zinc/08/56/67/557085667.db2.gz YEQUKDVQPMKARK-UHFFFAOYSA-N 0 0 438.862 5.250 50 0 IKAARN Cc1cc(C)c(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c(C)c1 ZINC000049006990 557085757 /nfs/dbraw/zinc/08/57/57/557085757.db2.gz ZMCGOGQSLRSWLG-UHFFFAOYSA-N 0 0 429.442 5.414 50 0 IKAARN O=C(Cc1ccc(F)cc1)Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000033307397 557086872 /nfs/dbraw/zinc/08/68/72/557086872.db2.gz IGUBYCLKVQJRQY-UHFFFAOYSA-N 0 0 437.858 5.289 50 0 IKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)s2)cs1 ZINC000033308415 557088942 /nfs/dbraw/zinc/08/89/42/557088942.db2.gz UWUPHHJLKNNVCT-UHFFFAOYSA-N 0 0 434.486 5.188 50 0 IKAARN C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000023410487 557090950 /nfs/dbraw/zinc/09/09/50/557090950.db2.gz URIUZPZKVODFIY-MRDQGFSESA-N 0 0 437.499 5.241 50 0 IKAARN Cc1ccc(N2C(=O)C(=O)C(c3ccc4ccccc4n3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000023409430 557090991 /nfs/dbraw/zinc/09/09/91/557090991.db2.gz XNCWSBKWLQHIHG-XMMPIXPASA-N 0 0 426.903 6.254 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 ZINC000023458442 557092808 /nfs/dbraw/zinc/09/28/08/557092808.db2.gz UORRJXJJKYJEPH-MUUNZHRXSA-N 0 0 449.598 6.689 50 0 IKAARN Cc1c2ccccc2oc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023454235 557092895 /nfs/dbraw/zinc/09/28/95/557092895.db2.gz XRGVKFAVGPXYPX-VWLOTQADSA-N 0 0 444.962 5.942 50 0 IKAARN Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4cccc(F)c4)ccc3n2)cc1 ZINC000033310111 557093341 /nfs/dbraw/zinc/09/33/41/557093341.db2.gz UAPPQZKVRCEJAC-UHFFFAOYSA-N 0 0 441.506 5.438 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)nc1 ZINC000004762610 557094241 /nfs/dbraw/zinc/09/42/41/557094241.db2.gz QLHSHBSHKZIBHU-QWRLVCTISA-N 0 0 445.607 5.251 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(Nc2ccccc2F)sc1=S ZINC000023486776 557094896 /nfs/dbraw/zinc/09/48/96/557094896.db2.gz SEGNPWKNFGBSQZ-UHFFFAOYSA-N 0 0 428.480 5.665 50 0 IKAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000023507631 557095195 /nfs/dbraw/zinc/09/51/95/557095195.db2.gz WWHRMACTVGYNTD-LBPRGKRZSA-N 0 0 439.289 6.079 50 0 IKAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000023507437 557095225 /nfs/dbraw/zinc/09/52/25/557095225.db2.gz TZLOLCRGIJCHAC-GOSISDBHSA-N 0 0 446.497 6.439 50 0 IKAARN CSc1cccc(NC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)c1 ZINC000033311904 557095255 /nfs/dbraw/zinc/09/52/55/557095255.db2.gz CNRWBYQWSCRPJW-UHFFFAOYSA-N 0 0 448.592 5.463 50 0 IKAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCc4ccccc4C)CC3)ncn2)c1 ZINC000033312066 557095785 /nfs/dbraw/zinc/09/57/85/557095785.db2.gz YOAWPNJPXDWINI-UHFFFAOYSA-N 0 0 446.620 5.086 50 0 IKAARN CCCN(CC(=O)Nc1nnc(-c2cccc(C)c2)s1)C(=O)C[C@H](C)CC(C)(C)C ZINC000004765404 557096452 /nfs/dbraw/zinc/09/64/52/557096452.db2.gz HLBGGQTVLPWBIN-KRWDZBQOSA-N 0 0 430.618 5.153 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(Br)cc1 ZINC000033312548 557096783 /nfs/dbraw/zinc/09/67/83/557096783.db2.gz SVBITHDWVXAMJX-UHFFFAOYSA-N 0 0 431.359 5.005 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc(Br)c1 ZINC000033312578 557096931 /nfs/dbraw/zinc/09/69/31/557096931.db2.gz LMXZTLOZJTVMQF-UHFFFAOYSA-N 0 0 431.359 5.005 50 0 IKAARN COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000004767875 557098635 /nfs/dbraw/zinc/09/86/35/557098635.db2.gz KCMUBKOXTWNKLM-DEOSSOPVSA-N 0 0 447.535 5.218 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2ccccc2Cl)c2c[nH]c3ccccc32)cc1 ZINC000023573175 557099418 /nfs/dbraw/zinc/09/94/18/557099418.db2.gz HIIXPRVQAGJMOF-FQEVSTJZSA-N 0 0 434.923 5.157 50 0 IKAARN Oc1ccc(-c2csc(-c3cccc(-c4nc(-c5ccc(O)cc5)cs4)c3)n2)cc1 ZINC000084847042 557099350 /nfs/dbraw/zinc/09/93/50/557099350.db2.gz BAVUOVQMFPDJEE-UHFFFAOYSA-N 0 0 428.538 6.679 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)o1 ZINC000023601873 557100721 /nfs/dbraw/zinc/10/07/21/557100721.db2.gz LPTKQHAFXDLNMG-LBPRGKRZSA-N 0 0 436.518 5.456 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)o1 ZINC000023601870 557100797 /nfs/dbraw/zinc/10/07/97/557100797.db2.gz LPTKQHAFXDLNMG-GFCCVEGCSA-N 0 0 436.518 5.456 50 0 IKAARN C/C=C/c1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1OCc1ccccc1 ZINC000085221460 557100876 /nfs/dbraw/zinc/10/08/76/557100876.db2.gz HERVQUFQZXZOBU-WUTDNEBXSA-N 0 0 447.594 7.800 50 0 IKAARN Cc1cccc(OCC(=O)Nc2cccc(N3CCn4c5ccc(Cl)cc5nc4C3)c2)c1 ZINC000033320640 557103744 /nfs/dbraw/zinc/10/37/44/557103744.db2.gz NTGXOFFLNPXIIR-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1C ZINC000033320653 557103769 /nfs/dbraw/zinc/10/37/69/557103769.db2.gz SIUATBWEERAAOM-UHFFFAOYSA-N 0 0 446.938 5.279 50 0 IKAARN Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(-n2cccc2)cc1 ZINC000033320595 557103815 /nfs/dbraw/zinc/10/38/15/557103815.db2.gz BNJDJZNMOWXMSZ-UHFFFAOYSA-N 0 0 447.542 5.408 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCn3c4ccc(Cl)cc4nc3C2)cc1 ZINC000033320615 557103900 /nfs/dbraw/zinc/10/39/00/557103900.db2.gz VDLYKMOZGARYJS-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN Cc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1ccc(F)cc1 ZINC000033320655 557103907 /nfs/dbraw/zinc/10/39/07/557103907.db2.gz LCZVCCJXBDFGLP-UHFFFAOYSA-N 0 0 434.902 5.410 50 0 IKAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1cccc(C)c1 ZINC000033320669 557104231 /nfs/dbraw/zinc/10/42/31/557104231.db2.gz RSVPUGAZDJDWEI-UHFFFAOYSA-N 0 0 446.938 5.279 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccccn1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000023686027 557106759 /nfs/dbraw/zinc/10/67/59/557106759.db2.gz FGYLWKKTRRMJRR-OAHLLOKOSA-N 0 0 427.118 5.610 50 0 IKAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000033325075 557107203 /nfs/dbraw/zinc/10/72/03/557107203.db2.gz IFATYBMKMHSWOJ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)no2)c1 ZINC000033325037 557107239 /nfs/dbraw/zinc/10/72/39/557107239.db2.gz JCKZDOIPRAUDKW-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1(F)F ZINC000086064167 557107823 /nfs/dbraw/zinc/10/78/23/557107823.db2.gz FQXXWTOSPDVNSG-UHFFFAOYSA-N 0 0 426.595 8.127 50 0 IKAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000086069977 557108423 /nfs/dbraw/zinc/10/84/23/557108423.db2.gz BRKZBZIEBDWCQB-UHFFFAOYSA-N 0 0 447.970 5.540 50 0 IKAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)Nc1ccccc1F ZINC000086069962 557108448 /nfs/dbraw/zinc/10/84/48/557108448.db2.gz GBWJMIMFCXPEGX-UHFFFAOYSA-N 0 0 431.515 5.026 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2c(C)cccc2CC)=Nc2ccccc2N1 ZINC000049421651 557108455 /nfs/dbraw/zinc/10/84/55/557108455.db2.gz NXYNTALWYFZVIF-UHFFFAOYSA-N 0 0 437.565 5.222 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1 ZINC000033326745 557108717 /nfs/dbraw/zinc/10/87/17/557108717.db2.gz NRVKALRLSKVWPA-UHFFFAOYSA-N 0 0 446.555 5.926 50 0 IKAARN CCc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cccc(F)c4)cc3)cn2)cc1 ZINC000049421914 557108977 /nfs/dbraw/zinc/10/89/77/557108977.db2.gz LOOJQIRFEDQQMP-UHFFFAOYSA-N 0 0 442.494 5.138 50 0 IKAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1 ZINC000033327294 557109673 /nfs/dbraw/zinc/10/96/73/557109673.db2.gz YMDCLMPWPZSSDL-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000049491401 557109806 /nfs/dbraw/zinc/10/98/06/557109806.db2.gz OWWJBLFFXMNZIS-UHFFFAOYSA-N 0 0 425.872 5.179 50 0 IKAARN COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)no2)cc1 ZINC000033327400 557110069 /nfs/dbraw/zinc/11/00/69/557110069.db2.gz IAWMMVWTDSAXSD-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 ZINC000049433348 557110240 /nfs/dbraw/zinc/11/02/40/557110240.db2.gz GFEWACTZFDJACS-UHFFFAOYSA-N 0 0 439.537 5.243 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccccc1F)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415550 557110339 /nfs/dbraw/zinc/11/03/39/557110339.db2.gz OOIHNRCSLPWEMT-QHCPKHFHSA-N 0 0 431.511 5.676 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000011358334 557110952 /nfs/dbraw/zinc/11/09/52/557110952.db2.gz GDMCAEUDPFTYNZ-UHFFFAOYSA-N 0 0 435.578 5.295 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2cc3ccc(F)cc3nc2C)cs1)c1ccccc1 ZINC000010923423 557111738 /nfs/dbraw/zinc/11/17/38/557111738.db2.gz AAFMCZYNJCADAC-UHFFFAOYSA-N 0 0 435.480 5.180 50 0 IKAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCC[C@H]1c1cccs1 ZINC000014707362 557111868 /nfs/dbraw/zinc/11/18/68/557111868.db2.gz WGTHSTGDHBDKJZ-IBGZPJMESA-N 0 0 446.981 5.180 50 0 IKAARN COc1cccc([C@H]2SCC(=O)Nc3c2cnn3C(C)(C)C)c1OCc1ccccc1 ZINC000049547724 557112277 /nfs/dbraw/zinc/11/22/77/557112277.db2.gz OZFIUJMFDRIMLC-JOCHJYFZSA-N 0 0 437.565 5.650 50 0 IKAARN COc1cccc([C@@H]2SCC(=O)Nc3c2cnn3C(C)(C)C)c1OCc1ccccc1 ZINC000049547722 557112411 /nfs/dbraw/zinc/11/24/11/557112411.db2.gz OZFIUJMFDRIMLC-QFIPXVFZSA-N 0 0 437.565 5.650 50 0 IKAARN CCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)CC ZINC000004779615 557112590 /nfs/dbraw/zinc/11/25/90/557112590.db2.gz OWLCZNRMTOYLSC-UHFFFAOYSA-N 0 0 426.605 5.154 50 0 IKAARN CSc1ccc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)c3c2sc(=O)n3C)cc1 ZINC000049549189 557112700 /nfs/dbraw/zinc/11/27/00/557112700.db2.gz GHEXQCARAAHFCA-CQSZACIVSA-N 0 0 434.945 5.162 50 0 IKAARN CCOc1ccc([C@H](C)NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000000653930 557114383 /nfs/dbraw/zinc/11/43/83/557114383.db2.gz FCWBJISWBWXBAN-VIFPVBQESA-N 0 0 433.165 5.163 50 0 IKAARN O=C1CN(Cc2ccccc2)[C@H](c2ccccc2Cl)c2cc(Br)ccc2N1 ZINC000049597029 557114766 /nfs/dbraw/zinc/11/47/66/557114766.db2.gz SYRKWSNWDILSAO-JOCHJYFZSA-N 0 0 441.756 5.646 50 0 IKAARN COc1ccc([C@@H](C)Nc2nc3c(C)cccc3cc2-c2noc(C(C)C)n2)cc1OC ZINC000033331569 557114878 /nfs/dbraw/zinc/11/48/78/557114878.db2.gz BLSXGTMEIXAOIV-MRXNPFEDSA-N 0 0 432.524 5.907 50 0 IKAARN Cc1noc(CSc2nc3cc(-c4ccccc4)sc3c(=O)n2Cc2ccccc2)n1 ZINC000023772090 557115567 /nfs/dbraw/zinc/11/55/67/557115567.db2.gz UHAYEJWDXKXONL-UHFFFAOYSA-N 0 0 446.557 5.157 50 0 IKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1noc2ccccc21 ZINC000023787960 557115945 /nfs/dbraw/zinc/11/59/45/557115945.db2.gz KJXWHZWDFOTKME-UHFFFAOYSA-N 0 0 425.282 5.051 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@](=O)(N3CCCCCC3)C2=C(N2CCCC2)C1 ZINC000049676334 557117672 /nfs/dbraw/zinc/11/76/72/557117672.db2.gz IBCLQYAWVKLANK-SSEXGKCCSA-N 0 0 426.545 6.059 50 0 IKAARN O=C(/C=C/c1cccc2ccccc12)N1CCN(C(=O)/C=C\c2cccc3ccccc23)CC1 ZINC000033333800 557118223 /nfs/dbraw/zinc/11/82/23/557118223.db2.gz ZTOPKOQTTIDAOQ-JRDMOELTSA-N 0 0 446.550 5.390 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033333834 557118303 /nfs/dbraw/zinc/11/83/03/557118303.db2.gz BASIWVLKALOSTM-WMZJFQQLSA-N 0 0 439.464 5.112 50 0 IKAARN CCCCC(C(=O)Nc1ccc(OCCC)cc1)C(=O)Nc1ccc(OCCC)cc1 ZINC000004784637 557118703 /nfs/dbraw/zinc/11/87/03/557118703.db2.gz RHNBAQCDHQTMPK-UHFFFAOYSA-N 0 0 426.557 5.648 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc(Cl)ccc1OC(F)F ZINC000004786432 557119359 /nfs/dbraw/zinc/11/93/59/557119359.db2.gz PAXCRADFKUHPML-GOSISDBHSA-N 0 0 433.842 5.143 50 0 IKAARN Cl/C(=C\c1ccccc1)c1nc2ccc(Cl)cn2c1Nc1ccc2c(c1)OCCO2 ZINC000004789129 557119830 /nfs/dbraw/zinc/11/98/30/557119830.db2.gz VZWYWDPVUGBDHG-PDGQHHTCSA-N 0 0 438.314 6.239 50 0 IKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)o1 ZINC000001185590 557120074 /nfs/dbraw/zinc/12/00/74/557120074.db2.gz QAFIFKSXEUXUDQ-UHFFFAOYSA-N 0 0 428.875 6.969 50 0 IKAARN Cc1cccc2sc(NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)nc21 ZINC000023235691 557120317 /nfs/dbraw/zinc/12/03/17/557120317.db2.gz PVVQREAOLXMAOW-UHFFFAOYSA-N 0 0 448.495 6.005 50 0 IKAARN CCc1cc(I)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000001268154 557120734 /nfs/dbraw/zinc/12/07/34/557120734.db2.gz JAHQSSUTYSSXPH-UHFFFAOYSA-N 0 0 431.726 5.238 50 0 IKAARN CC[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(C)cc21)C(=O)c1ccccc1 ZINC000008721663 557121208 /nfs/dbraw/zinc/12/12/08/557121208.db2.gz KFRFEXIVXZXUGD-VWLOTQADSA-N 0 0 443.930 6.682 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)c3cc(C)ccc3n2)cc1 ZINC000008721653 557121276 /nfs/dbraw/zinc/12/12/76/557121276.db2.gz JCJAGBAKDIHQIL-IBGZPJMESA-N 0 0 439.511 5.955 50 0 IKAARN COC(=O)[C@@H]1C(C)=C(c2ccccc2)S[C@]1(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000000626917 557122059 /nfs/dbraw/zinc/12/20/59/557122059.db2.gz NUQHBZPRXOLJTQ-BKMJKUGQSA-N 0 0 426.541 5.774 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000017783150 557122293 /nfs/dbraw/zinc/12/22/93/557122293.db2.gz NHWRQMWDRHZODD-HDICACEKSA-N 0 0 432.955 5.663 50 0 IKAARN CCc1sc(-c2nnc(CSc3nnc(NCc4ccccc4)s3)o2)cc1C ZINC000023883442 557123878 /nfs/dbraw/zinc/12/38/78/557123878.db2.gz YJCXDIYNEBVPSV-UHFFFAOYSA-N 0 0 429.596 5.425 50 0 IKAARN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)n1 ZINC000060774384 557124062 /nfs/dbraw/zinc/12/40/62/557124062.db2.gz TVIWPURTUFDPCS-UHFFFAOYSA-N 0 0 441.453 5.215 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000023904876 557124128 /nfs/dbraw/zinc/12/41/28/557124128.db2.gz FQUVCSVCBRFYCH-AWEZNQCLSA-N 0 0 425.583 5.589 50 0 IKAARN c1csc(-c2cc(-c3ccccc3)c3c(n2)sc2c3ncnc2N2CCOCC2)c1 ZINC000000643081 557124241 /nfs/dbraw/zinc/12/42/41/557124241.db2.gz AUAQONKHKIKNGK-UHFFFAOYSA-N 0 0 430.558 5.472 50 0 IKAARN COc1ccc([C@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)cc1OC ZINC000000646192 557124453 /nfs/dbraw/zinc/12/44/53/557124453.db2.gz HKFVANYKMNCOCC-RUZDIDTESA-N 0 0 432.545 6.020 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)COc1ccc(Cl)cc1Cl ZINC000004791179 557124776 /nfs/dbraw/zinc/12/47/76/557124776.db2.gz LIHTUHJMVOYJBF-UHFFFAOYSA-N 0 0 426.303 5.634 50 0 IKAARN O=C(Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1)c1ccccc1 ZINC000606422436 557125043 /nfs/dbraw/zinc/12/50/43/557125043.db2.gz GXPWBQMVJOXCHT-UHFFFAOYSA-N 0 0 441.491 5.449 50 0 IKAARN Cn1cc([C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792539 557125848 /nfs/dbraw/zinc/12/58/48/557125848.db2.gz MZKDDTRSFLJGED-BJKOFHAPSA-N 0 0 443.934 5.381 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3F)nc3ccc(Cl)cn32)cc1 ZINC000004793986 557126123 /nfs/dbraw/zinc/12/61/23/557126123.db2.gz LUFSDKQHMUGYHP-UHFFFAOYSA-N 0 0 430.708 6.608 50 0 IKAARN CCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(C)C ZINC000004792803 557126168 /nfs/dbraw/zinc/12/61/68/557126168.db2.gz SRODPDQESNBSEM-UHFFFAOYSA-N 0 0 432.605 5.542 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)NC(C)(C)C)C2CCCCC2)c1 ZINC000006722769 557126197 /nfs/dbraw/zinc/12/61/97/557126197.db2.gz JJGNERLJIUPOEP-UHFFFAOYSA-N 0 0 430.637 5.380 50 0 IKAARN CC(C)c1ccc(Nc2nnc(SCc3nc4cc(Cl)ccc4c(=O)[nH]3)s2)cc1 ZINC000023936419 557126488 /nfs/dbraw/zinc/12/64/88/557126488.db2.gz KFEPQZCIWFEKHZ-UHFFFAOYSA-N 0 0 443.985 5.587 50 0 IKAARN CCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 ZINC000004794676 557126817 /nfs/dbraw/zinc/12/68/17/557126817.db2.gz LSVVQGOVNUXOAF-LARUCZGFSA-N 0 0 426.604 7.258 50 0 IKAARN O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000001909197 557127195 /nfs/dbraw/zinc/12/71/95/557127195.db2.gz WOQACIUOGYPTNV-UHFFFAOYSA-N 0 0 429.372 5.711 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)C(=O)CSC(c1ccccc1)c1ccccc1 ZINC000017903548 557127514 /nfs/dbraw/zinc/12/75/14/557127514.db2.gz CHZNJQSZOAFEEB-UHFFFAOYSA-N 0 0 432.589 5.169 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000033349260 557127731 /nfs/dbraw/zinc/12/77/31/557127731.db2.gz LZPUZKWXXFCLEO-OEAKJJBVSA-N 0 0 433.504 5.950 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(N3CCCCC3)n2C2CC2)cc1 ZINC000011372796 557128909 /nfs/dbraw/zinc/12/89/09/557128909.db2.gz DQCHIMGAEPSFOA-UHFFFAOYSA-N 0 0 433.581 5.148 50 0 IKAARN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)c(C)c12 ZINC000011374158 557129370 /nfs/dbraw/zinc/12/93/70/557129370.db2.gz YENBZBZYJIPIRF-AREMUKBSSA-N 0 0 426.564 5.040 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000000655342 557129474 /nfs/dbraw/zinc/12/94/74/557129474.db2.gz JSSWNDBLBFNMLK-LLVKDONJSA-N 0 0 442.894 5.535 50 0 IKAARN CC[C@@H](c1nnc(SCc2csc(-c3ccccc3)n2)n1Cc1ccccc1)N(C)C ZINC000023983193 557129628 /nfs/dbraw/zinc/12/96/28/557129628.db2.gz SBPRRODYBPAACX-NRFANRHFSA-N 0 0 449.649 5.755 50 0 IKAARN c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1CN=Nc1nncc2ccccc21 ZINC000245266985 557129875 /nfs/dbraw/zinc/12/98/75/557129875.db2.gz KYQMZYKPVKMVFR-UHFFFAOYSA-N 0 0 430.471 5.675 50 0 IKAARN C[C@H](NC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N)c1ccccc1 ZINC000000658699 557130231 /nfs/dbraw/zinc/13/02/31/557130231.db2.gz MLZYQNHMGBVJDM-NSHDSACASA-N 0 0 447.507 6.117 50 0 IKAARN COc1ccc(C(F)(F)F)cc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000000661157 557130858 /nfs/dbraw/zinc/13/08/58/557130858.db2.gz YXKJVDYQBOFZMR-UHFFFAOYSA-N 0 0 444.438 5.220 50 0 IKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1ccc(F)cc1Br ZINC000000660299 557130879 /nfs/dbraw/zinc/13/08/79/557130879.db2.gz RXYZIWOESOZKBW-UHFFFAOYSA-N 0 0 448.342 5.761 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(Cl)c4Cl)sc3n2)c1 ZINC000000661307 557130929 /nfs/dbraw/zinc/13/09/29/557130929.db2.gz SKMOMTVBAWADMW-UHFFFAOYSA-N 0 0 444.343 6.113 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)ccc4Cl)sc3n2)cc1 ZINC000000661484 557130937 /nfs/dbraw/zinc/13/09/37/557130937.db2.gz IJJOAXWDTWJGMJ-UHFFFAOYSA-N 0 0 444.343 6.113 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(CN(C)Cc3ccc(Cl)s3)cc(=O)c12 ZINC000023994761 557130949 /nfs/dbraw/zinc/13/09/49/557130949.db2.gz GTYDYJQYNGCDDL-UHFFFAOYSA-N 0 0 433.364 5.023 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c3cc2C1 ZINC000000661705 557131196 /nfs/dbraw/zinc/13/11/96/557131196.db2.gz RDAVFDHCERQHOU-NSHDSACASA-N 0 0 430.371 5.408 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1)c1cccs1 ZINC000024028892 557132275 /nfs/dbraw/zinc/13/22/75/557132275.db2.gz NZPGHMJYSONWGZ-UHFFFAOYSA-N 0 0 428.897 5.067 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 ZINC000000674378 557133214 /nfs/dbraw/zinc/13/32/14/557133214.db2.gz BTCGYLHYQQRGFT-IRXDYDNUSA-N 0 0 448.876 5.435 50 0 IKAARN O=C(NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000674984 557133516 /nfs/dbraw/zinc/13/35/16/557133516.db2.gz VVYCOCZXWXVGDJ-WMZOPIPTSA-N 0 0 434.849 5.127 50 0 IKAARN CC[C@@H](COC(=O)Nc1cccc2ccccc21)N1C(=O)CS[C@H]1c1ccc(C)cc1 ZINC000000675808 557133727 /nfs/dbraw/zinc/13/37/27/557133727.db2.gz FKGQHNYPBDOSPA-RDPSFJRHSA-N 0 0 434.561 5.750 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c(C)c1 ZINC000002879713 557133710 /nfs/dbraw/zinc/13/37/10/557133710.db2.gz SIMRKHBIBYLXKD-UHFFFAOYSA-N 0 0 441.369 6.018 50 0 IKAARN CCc1cc(I)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000002879580 557133723 /nfs/dbraw/zinc/13/37/23/557133723.db2.gz ODBQQZATICKWAR-UHFFFAOYSA-N 0 0 443.712 5.303 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000002822571 557134038 /nfs/dbraw/zinc/13/40/38/557134038.db2.gz YHKPVOWDJBNVMP-UHFFFAOYSA-N 0 0 425.579 5.424 50 0 IKAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2Cl)cc1 ZINC000002852546 557134122 /nfs/dbraw/zinc/13/41/22/557134122.db2.gz JFUIYEXRMQJZOE-GFCCVEGCSA-N 0 0 443.712 5.476 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CSc1ccncc1 ZINC000024050523 557134199 /nfs/dbraw/zinc/13/41/99/557134199.db2.gz INAFULAOICJFRG-UHFFFAOYSA-N 0 0 448.979 5.338 50 0 IKAARN CCc1cc2c(ncnc2Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)s1 ZINC000024057602 557134437 /nfs/dbraw/zinc/13/44/37/557134437.db2.gz KVZGBINJLYFJBB-UHFFFAOYSA-N 0 0 443.525 5.010 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000024758570 557135004 /nfs/dbraw/zinc/13/50/04/557135004.db2.gz GBDADBFNUDBGSR-UHFFFAOYSA-N 0 0 439.339 5.394 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(F)c1F ZINC000002890572 557135116 /nfs/dbraw/zinc/13/51/16/557135116.db2.gz GNWRKTMUUHRSJB-UHFFFAOYSA-N 0 0 425.765 5.950 50 0 IKAARN O=C(Nc1ccc(I)cc1F)c1sc2ccccc2c1Cl ZINC000002886311 557135132 /nfs/dbraw/zinc/13/51/32/557135132.db2.gz FFZKEXSFGDEFFE-UHFFFAOYSA-N 0 0 431.657 5.551 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(Br)ccc1Cl ZINC000002881094 557135170 /nfs/dbraw/zinc/13/51/70/557135170.db2.gz MXNXQVQOJXGGRQ-UHFFFAOYSA-N 0 0 447.682 5.974 50 0 IKAARN O=C(Oc1c(Br)cc(Br)c2cccnc21)c1ccc(Cl)cc1 ZINC000000682326 557135269 /nfs/dbraw/zinc/13/52/69/557135269.db2.gz BPECHPWARSTCHI-UHFFFAOYSA-N 0 0 441.506 5.632 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000003005276 557135764 /nfs/dbraw/zinc/13/57/64/557135764.db2.gz YTKPQOZFKFARJO-UHFFFAOYSA-N 0 0 439.427 5.189 50 0 IKAARN O=C(CSc1nnc(-c2n[nH]c3ccccc32)o1)Nc1ccc(Oc2ccccc2)cc1 ZINC000033364338 557136196 /nfs/dbraw/zinc/13/61/96/557136196.db2.gz SFUMTAZWMASGMF-UHFFFAOYSA-N 0 0 443.488 5.136 50 0 IKAARN O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017982802 557136239 /nfs/dbraw/zinc/13/62/39/557136239.db2.gz CIEBUKWBZMXOOF-UHFFFAOYSA-N 0 0 448.879 5.146 50 0 IKAARN O=C(Nc1cccc2ccccc21)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000000691632 557136820 /nfs/dbraw/zinc/13/68/20/557136820.db2.gz NMBNYCIPOYPVPX-VWLOTQADSA-N 0 0 426.541 6.912 50 0 IKAARN CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000000693550 557137067 /nfs/dbraw/zinc/13/70/67/557137067.db2.gz FAGKENQXMLEBEP-UHFFFAOYSA-N 0 0 432.446 5.335 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(-n2nc(OC)nc2-c2ccc(C)cc2)cc1)c1ccccc1 ZINC000000693435 557137137 /nfs/dbraw/zinc/13/71/37/557137137.db2.gz KOVIEAGEFKRXHU-HSZRJFAPSA-N 0 0 426.520 5.384 50 0 IKAARN COCCn1c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)nnc1-c1ccccc1 ZINC000024772512 557137361 /nfs/dbraw/zinc/13/73/61/557137361.db2.gz DMDXPRCRHJJTSE-UHFFFAOYSA-N 0 0 441.556 5.138 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccccc3C)cc2)cc1 ZINC000000696803 557137365 /nfs/dbraw/zinc/13/73/65/557137365.db2.gz DKJWYWMJCAONFY-UHFFFAOYSA-N 0 0 426.520 5.591 50 0 IKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)N1CCCCC1 ZINC000000695375 557137500 /nfs/dbraw/zinc/13/75/00/557137500.db2.gz QWANFYJZNYOVLL-SANMLTNESA-N 0 0 440.562 6.363 50 0 IKAARN Cc1ccccc1-c1nc(OCC(C)C)nn1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000000696976 557137590 /nfs/dbraw/zinc/13/75/90/557137590.db2.gz CQDIQAOLEHNTPX-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN O=C(Nc1cccc(O)c1)c1ccc(Oc2cccc(C(=O)Nc3cccc(O)c3)c2)cc1 ZINC000000692454 557137973 /nfs/dbraw/zinc/13/79/73/557137973.db2.gz NZGSMEDCRCATNF-UHFFFAOYSA-N 0 0 440.455 5.395 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)NCc3ccccc3)sc2c1 ZINC000000705350 557139687 /nfs/dbraw/zinc/13/96/87/557139687.db2.gz SIUUYCCJGSHQET-UHFFFAOYSA-N 0 0 447.585 5.266 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109789 557141308 /nfs/dbraw/zinc/14/13/08/557141308.db2.gz VZSHQVQOHYSEOT-XBXARRHUSA-N 0 0 429.269 6.264 50 0 IKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024278612 557142971 /nfs/dbraw/zinc/14/29/71/557142971.db2.gz AEQVHOKQGOWWQF-VWNXMTODSA-N 0 0 448.613 5.336 50 0 IKAARN C[C@@H](c1nnc(SCc2cccc(F)c2F)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000011416121 557143172 /nfs/dbraw/zinc/14/31/72/557143172.db2.gz HUQWWRKMBACIJN-HNNXBMFYSA-N 0 0 432.515 5.524 50 0 IKAARN O=C(NCCCCCNC(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000003144947 557143651 /nfs/dbraw/zinc/14/36/51/557143651.db2.gz HYMUHXUKRZGZCD-UHFFFAOYSA-N 0 0 440.547 6.107 50 0 IKAARN CCOc1cc2c(cc1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl)O[C@H](C)C2 ZINC000024317401 557143876 /nfs/dbraw/zinc/14/38/76/557143876.db2.gz LBEFMDNAKZUZGI-GFCCVEGCSA-N 0 0 444.890 5.095 50 0 IKAARN CCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000003145772 557144342 /nfs/dbraw/zinc/14/43/42/557144342.db2.gz RYQUZIKEQLQGCR-UHFFFAOYSA-N 0 0 443.547 6.018 50 0 biogenic IKAARN COCc1c2ccccc2oc1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000024344329 557144753 /nfs/dbraw/zinc/14/47/53/557144753.db2.gz IHILFYPWNKNMRQ-UHFFFAOYSA-N 0 0 430.291 5.383 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000005950094 557144930 /nfs/dbraw/zinc/14/49/30/557144930.db2.gz YXFBOIBVSNACSO-UHFFFAOYSA-N 0 0 447.585 5.667 50 0 IKAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1 ZINC000409415384 557145634 /nfs/dbraw/zinc/14/56/34/557145634.db2.gz DQYCAMCXDOLDEP-HXUWFJFHSA-N 0 0 428.463 5.089 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccc3cccnc31)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413361 557145645 /nfs/dbraw/zinc/14/56/45/557145645.db2.gz BHGIWSAIIJNYCB-QHCPKHFHSA-N 0 0 436.515 5.620 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](C1=Cc3ccccc3OC1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413369 557145740 /nfs/dbraw/zinc/14/57/40/557145740.db2.gz BNODSQPSQQEQLX-XMMPIXPASA-N 0 0 439.515 5.500 50 0 IKAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024386168 557145903 /nfs/dbraw/zinc/14/59/03/557145903.db2.gz QVDWROMHPMBALY-NRFANRHFSA-N 0 0 434.536 6.382 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415521 557146627 /nfs/dbraw/zinc/14/66/27/557146627.db2.gz NIGNWXPHQOVZGY-QHCPKHFHSA-N 0 0 429.520 5.243 50 0 IKAARN O=C1C[C@@H](c2cccc(OC(F)F)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415531 557146660 /nfs/dbraw/zinc/14/66/60/557146660.db2.gz NVUIZLROASQATR-IBGZPJMESA-N 0 0 436.433 5.904 50 0 IKAARN O=c1c2ccccc2occ1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1cccc(F)c1 ZINC000409415607 557147083 /nfs/dbraw/zinc/14/70/83/557147083.db2.gz SIERJZRDVHJJQF-LJQANCHMSA-N 0 0 438.458 5.409 50 0 biogenic IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000024445135 557147112 /nfs/dbraw/zinc/14/71/12/557147112.db2.gz BISHQMIORFLWDT-UHFFFAOYSA-N 0 0 427.785 5.253 50 0 IKAARN Cc1nc(COc2cccc(C(=O)N3CCC(C(=O)c4ccc(C)cc4C)CC3)c2)cs1 ZINC000024454870 557147294 /nfs/dbraw/zinc/14/72/94/557147294.db2.gz MIHDUFJXGBANHU-UHFFFAOYSA-N 0 0 448.588 5.382 50 0 IKAARN Cc1ccc2cccc(OCCCCOc3ccccc3I)c2n1 ZINC000016247598 557148023 /nfs/dbraw/zinc/14/80/23/557148023.db2.gz RWWKATKHJGGLRP-UHFFFAOYSA-N 0 0 433.289 5.386 50 0 IKAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000024473643 557147994 /nfs/dbraw/zinc/14/79/94/557147994.db2.gz IQKZDFYNNONQIU-IBGZPJMESA-N 0 0 429.545 5.493 50 0 IKAARN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc32)cc1 ZINC000024483427 557148082 /nfs/dbraw/zinc/14/80/82/557148082.db2.gz HWXFOWKAPSJQIW-AVRDEDQJSA-N 0 0 430.379 5.066 50 0 IKAARN O=C(Nc1nnc(COc2cccc3ccccc32)s1)c1ccc(Br)cc1 ZINC000000715511 557148122 /nfs/dbraw/zinc/14/81/22/557148122.db2.gz KSKQUFBEKDTKDC-UHFFFAOYSA-N 0 0 440.322 5.285 50 0 IKAARN COc1cc(C)c(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1OC ZINC000024496484 557148362 /nfs/dbraw/zinc/14/83/62/557148362.db2.gz MAMUSAFFURSHPB-UHFFFAOYSA-N 0 0 433.533 5.205 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cc(=O)oc2cc(C)ccc12 ZINC000011444469 557148378 /nfs/dbraw/zinc/14/83/78/557148378.db2.gz ZIOACEGXRXCEQJ-UHFFFAOYSA-N 0 0 427.815 5.214 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c(C)n1C1CC1 ZINC000011444628 557148423 /nfs/dbraw/zinc/14/84/23/557148423.db2.gz GJZWXHLHXMUUBX-UHFFFAOYSA-N 0 0 430.863 5.235 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000000717653 557148394 /nfs/dbraw/zinc/14/83/94/557148394.db2.gz LKRAHALRLPBCCS-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN CCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)cc1OC ZINC000016393570 557150833 /nfs/dbraw/zinc/15/08/33/557150833.db2.gz LKHQHKVKPFSBBG-JQIJEIRASA-N 0 0 426.516 5.217 50 0 IKAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1OC[C@H]1CCCO1 ZINC000024576117 557151343 /nfs/dbraw/zinc/15/13/43/557151343.db2.gz ANWVCWRFYCJUEQ-MRXNPFEDSA-N 0 0 446.334 5.048 50 0 IKAARN COc1ccc(-c2cc(C(F)F)nc(SCC3=NC(C)(C)Cc4ccccc43)n2)cc1 ZINC000000720115 557152360 /nfs/dbraw/zinc/15/23/60/557152360.db2.gz PLSNEDPJEVLOAI-UHFFFAOYSA-N 0 0 439.531 6.006 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(-c3ccccc3)on1)CC2 ZINC000024601318 557152516 /nfs/dbraw/zinc/15/25/16/557152516.db2.gz VUDDTIJCBRNGMX-RUZDIDTESA-N 0 0 432.545 5.568 50 0 IKAARN COc1ccc(NC(=O)C2(N3C(=O)C[C@H]3c3ccc(OC(C)C)cc3)CCCCC2)cc1 ZINC000000720398 557152735 /nfs/dbraw/zinc/15/27/35/557152735.db2.gz KZJDBBVJCDINJJ-QHCPKHFHSA-N 0 0 436.552 5.097 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607693 557153694 /nfs/dbraw/zinc/15/36/94/557153694.db2.gz ULWCTBTWEBCKFV-UHFFFAOYSA-N 0 0 438.524 5.072 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)C(C(=O)Nc1cccc(Cl)c1C)c1ccccc1 ZINC000016249998 557154448 /nfs/dbraw/zinc/15/44/48/557154448.db2.gz YZNMMLGNMRMIID-UHFFFAOYSA-N 0 0 427.331 5.971 50 0 IKAARN CSc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000024627139 557156345 /nfs/dbraw/zinc/15/63/45/557156345.db2.gz RZWZITUWIBVKQQ-NRFANRHFSA-N 0 0 432.589 5.073 50 0 IKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000095115697 557156529 /nfs/dbraw/zinc/15/65/29/557156529.db2.gz XJHIYPJJISFYQX-IQGLISFBSA-N 0 0 432.951 5.916 50 0 IKAARN O[C@]1(C(F)(F)F)[C@@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957564 557158776 /nfs/dbraw/zinc/15/87/76/557158776.db2.gz JEOQAKYOQCNWOA-BEFAXECRSA-N 0 0 435.858 5.111 50 0 IKAARN O[C@@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957577 557159123 /nfs/dbraw/zinc/15/91/23/557159123.db2.gz PEAWIEYQMCERBF-OXJNMPFZSA-N 0 0 449.885 5.501 50 0 IKAARN O[C@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957579 557159141 /nfs/dbraw/zinc/15/91/41/557159141.db2.gz PEAWIEYQMCERBF-JXFKEZNVSA-N 0 0 449.885 5.501 50 0 IKAARN Cc1cc(S[C@@H]2CC(=O)N(c3c(C)cc(C(C)(C)C)cc3C)C2=O)c(C)cc1Cl ZINC000095629527 557159617 /nfs/dbraw/zinc/15/96/17/557159617.db2.gz INBIZZUOIIMVGE-HXUWFJFHSA-N 0 0 430.013 6.295 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)cc1 ZINC000014734831 557162381 /nfs/dbraw/zinc/16/23/81/557162381.db2.gz FPLGHQNJJUJGJN-SFHVURJKSA-N 0 0 441.483 5.377 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)cc1 ZINC000014734830 557162527 /nfs/dbraw/zinc/16/25/27/557162527.db2.gz FPLGHQNJJUJGJN-GOSISDBHSA-N 0 0 441.483 5.377 50 0 IKAARN O=C1CCCCC[C@H]1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC000024755844 557163236 /nfs/dbraw/zinc/16/32/36/557163236.db2.gz FQIURAOFPYYWKO-QGZVFWFLSA-N 0 0 446.370 5.343 50 0 IKAARN O=C(Nc1cc(Cl)cc2cccnc21)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000024758024 557163649 /nfs/dbraw/zinc/16/36/49/557163649.db2.gz YJSOQVCWOVJKNZ-UHFFFAOYSA-N 0 0 434.780 5.484 50 0 IKAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000024769861 557165645 /nfs/dbraw/zinc/16/56/45/557165645.db2.gz SIBIHFVTSRKOLN-UHFFFAOYSA-N 0 0 438.483 5.001 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccc(-n2cccn2)c1 ZINC000206896726 557165642 /nfs/dbraw/zinc/16/56/42/557165642.db2.gz GXBZUQMIDKNCBA-UHFFFAOYSA-N 0 0 440.503 6.054 50 0 IKAARN Cc1nnsc1C(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 ZINC000206892657 557165688 /nfs/dbraw/zinc/16/56/88/557165688.db2.gz VKNFVKYHBZFFPX-UHFFFAOYSA-N 0 0 429.477 5.244 50 0 IKAARN Cc1ccc(-c2ccc(SCc3ccc(C(=O)NCc4ccccc4)cc3)nn2)cc1 ZINC000000737785 557165774 /nfs/dbraw/zinc/16/57/74/557165774.db2.gz LOUQCBSAPIWYTK-UHFFFAOYSA-N 0 0 425.557 5.674 50 0 IKAARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC[C@H]1CCCN(c2nccs2)C1 ZINC000206833059 557165996 /nfs/dbraw/zinc/16/59/96/557165996.db2.gz OLCJHNMZOXOALM-LJQANCHMSA-N 0 0 439.556 5.040 50 0 IKAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc(C)cc2)C(C)(C)C)o1 ZINC000000740896 557167306 /nfs/dbraw/zinc/16/73/06/557167306.db2.gz YNQHKZLREUFPTQ-UHFFFAOYSA-N 0 0 432.564 5.366 50 0 IKAARN CCOc1ccccc1-c1nnc(SCC(=O)NC2c3ccccc3-c3ccccc32)o1 ZINC000024777814 557167327 /nfs/dbraw/zinc/16/73/27/557167327.db2.gz ORCYSCNMMQRDMM-UHFFFAOYSA-N 0 0 443.528 5.114 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000000746821 557167651 /nfs/dbraw/zinc/16/76/51/557167651.db2.gz IAORWCOVCWGIHT-UHFFFAOYSA-N 0 0 445.538 5.171 50 0 IKAARN O=C(CCSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccccc1F ZINC000024843228 557168248 /nfs/dbraw/zinc/16/82/48/557168248.db2.gz UBBGZYCWBUEWGY-UHFFFAOYSA-N 0 0 444.601 5.696 50 0 IKAARN O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccccc1Oc1ccccc1 ZINC000024843385 557168277 /nfs/dbraw/zinc/16/82/77/557168277.db2.gz GKBNJOGBFHWLFX-UHFFFAOYSA-N 0 0 437.927 5.020 50 0 IKAARN Cc1[nH]c2ccccc2c1C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000014952473 557168553 /nfs/dbraw/zinc/16/85/53/557168553.db2.gz IYCSIAGWEVFMHF-UHFFFAOYSA-N 0 0 431.580 5.146 50 0 IKAARN COc1cccc(-c2cc(C(=O)N3CCS[C@@H](c4ccccc4Cl)CC3)n(C)n2)c1 ZINC000206996047 557168819 /nfs/dbraw/zinc/16/88/19/557168819.db2.gz KICZSMJSNPYLTR-JOCHJYFZSA-N 0 0 441.984 5.070 50 0 IKAARN COc1cccc(-c2cc(C(=O)N3CCS[C@H](c4ccccc4Cl)CC3)n(C)n2)c1 ZINC000206996088 557169225 /nfs/dbraw/zinc/16/92/25/557169225.db2.gz KICZSMJSNPYLTR-QFIPXVFZSA-N 0 0 441.984 5.070 50 0 IKAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)[nH]c(=O)c2c1C ZINC000014739235 557169557 /nfs/dbraw/zinc/16/95/57/557169557.db2.gz XUQUGKRULVGEPL-HNNXBMFYSA-N 0 0 429.611 5.294 50 0 IKAARN C[C@H]1CCCN1C(=O)/C=C1/Sc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000023305537 557169713 /nfs/dbraw/zinc/16/97/13/557169713.db2.gz MLVSDASZYKKCOS-NPRIEWAGSA-N 0 0 446.494 5.239 50 0 IKAARN O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccccc1Br ZINC000000755417 557170034 /nfs/dbraw/zinc/17/00/34/557170034.db2.gz KLPDUJQYQLMZSL-UHFFFAOYSA-N 0 0 449.333 5.166 50 0 IKAARN Cc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3sc4c(c32)CCCC4)c1 ZINC000024830154 557170117 /nfs/dbraw/zinc/17/01/17/557170117.db2.gz WSJPNRIRFCYKOB-UHFFFAOYSA-N 0 0 433.598 6.221 50 0 IKAARN COc1ccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000000756732 557170375 /nfs/dbraw/zinc/17/03/75/557170375.db2.gz OFBYJGQNPQSEOS-UHFFFAOYSA-N 0 0 443.894 6.013 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CC1)c1ccc(-c2ccccc2)cc1 ZINC000024831744 557170582 /nfs/dbraw/zinc/17/05/82/557170582.db2.gz SOPNYRCAQKIBDP-GOSISDBHSA-N 0 0 430.573 5.215 50 0 IKAARN CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)cc1 ZINC000207016009 557170630 /nfs/dbraw/zinc/17/06/30/557170630.db2.gz VPFJSVTVUQOFLN-SFHVURJKSA-N 0 0 441.622 5.322 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207017505 557171068 /nfs/dbraw/zinc/17/10/68/557171068.db2.gz BHMZTIZWJDOBPU-ZDUSSCGKSA-N 0 0 436.459 5.304 50 0 IKAARN Cc1sc2[nH]c(CNc3cccc(N4CCCC4=O)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024842589 557173613 /nfs/dbraw/zinc/17/36/13/557173613.db2.gz XSAGBSIDJZGJIQ-UHFFFAOYSA-N 0 0 444.560 5.007 50 0 IKAARN Cc1ccc(O)c([C@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c1 ZINC000000781884 557176366 /nfs/dbraw/zinc/17/63/66/557176366.db2.gz DFFMLDHMGXGQDA-XMMPIXPASA-N 0 0 429.560 5.087 50 0 IKAARN CCc1ccc(N(C(=O)[C@H]2CC(=O)Nc3ccccc32)c2nc3ccccc3s2)cc1 ZINC000024905898 557178265 /nfs/dbraw/zinc/17/82/65/557178265.db2.gz CLFRCIRNQIZGRO-IBGZPJMESA-N 0 0 427.529 5.649 50 0 IKAARN CN(Cc1ccc(Br)s1)C(=O)c1ccccc1NC(=O)c1cccs1 ZINC000024927495 557180565 /nfs/dbraw/zinc/18/05/65/557180565.db2.gz WMNPQULZCQYTRQ-UHFFFAOYSA-N 0 0 435.368 5.097 50 0 IKAARN C[C@H](O)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc([C@H](C)O)c3)c2)c1 ZINC000000784055 557181506 /nfs/dbraw/zinc/18/15/06/557181506.db2.gz VGFLXUCCRNYIKX-HOTGVXAUSA-N 0 0 434.496 5.081 50 0 IKAARN CCn1cc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2CC)c2ccccc21 ZINC000009096327 557182051 /nfs/dbraw/zinc/18/20/51/557182051.db2.gz KRYHAVGPABFHBX-KRWDZBQOSA-N 0 0 434.565 5.388 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1)c1cccnc1 ZINC000096191670 557182494 /nfs/dbraw/zinc/18/24/94/557182494.db2.gz GSYWEFCUSGRHDZ-UHFFFAOYSA-N 0 0 440.465 7.193 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000024963397 557182758 /nfs/dbraw/zinc/18/27/58/557182758.db2.gz WUSOFAIZQHXTJF-UHFFFAOYSA-N 0 0 433.939 5.815 50 0 IKAARN O=C(Cc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1)Nc1ccccc1F ZINC000009264837 557182683 /nfs/dbraw/zinc/18/26/83/557182683.db2.gz RRPBLLWFSRXELA-UHFFFAOYSA-N 0 0 436.487 5.019 50 0 IKAARN Cc1cccc(CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)c1 ZINC000009264885 557182786 /nfs/dbraw/zinc/18/27/86/557182786.db2.gz NOSNMAJIKSSRRQ-SFHVURJKSA-N 0 0 446.551 5.498 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000786608 557183165 /nfs/dbraw/zinc/18/31/65/557183165.db2.gz BUFUREVKUZXQEC-RUZDIDTESA-N 0 0 432.545 5.112 50 0 IKAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C ZINC000009265232 557183216 /nfs/dbraw/zinc/18/32/16/557183216.db2.gz QKCVWTZFLFOBOW-KRWDZBQOSA-N 0 0 449.605 5.051 50 0 IKAARN O=C(NCc1ccc(-n2ccnc2)nc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000024979490 557185161 /nfs/dbraw/zinc/18/51/61/557185161.db2.gz YJSJUSOCHQIBDY-UHFFFAOYSA-N 0 0 439.906 5.066 50 0 IKAARN CC[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000009264517 557185364 /nfs/dbraw/zinc/18/53/64/557185364.db2.gz PRMPCWRMGDIVSP-QFIPXVFZSA-N 0 0 428.561 5.368 50 0 IKAARN CC[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000009264521 557185379 /nfs/dbraw/zinc/18/53/79/557185379.db2.gz PRMPCWRMGDIVSP-JOCHJYFZSA-N 0 0 428.561 5.368 50 0 IKAARN CC(=O)Nc1cc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc1F ZINC000024984768 557186192 /nfs/dbraw/zinc/18/61/92/557186192.db2.gz PHBYSBIUXHUSQZ-OAQYLSRUSA-N 0 0 445.416 5.595 50 0 IKAARN Clc1ccccc1N[C@@H](c1nnnn1C1CCCCC1)c1ccc(Br)cc1 ZINC000003176228 557187726 /nfs/dbraw/zinc/18/77/26/557187726.db2.gz AXXNVXAPTGYZJQ-LJQANCHMSA-N 0 0 446.780 5.796 50 0 IKAARN COc1ccccc1-c1csc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)n1 ZINC000003176569 557189087 /nfs/dbraw/zinc/18/90/87/557189087.db2.gz ATYLRTINFJOSLU-UHFFFAOYSA-N 0 0 443.553 6.348 50 0 IKAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025038164 557189938 /nfs/dbraw/zinc/18/99/38/557189938.db2.gz HPTSNICHLTWGRU-QHCPKHFHSA-N 0 0 428.517 5.036 50 0 IKAARN CC(C)Cn1c(SCc2c(F)cccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000009582414 557190441 /nfs/dbraw/zinc/19/04/41/557190441.db2.gz PKGPHUMRSZRFME-HNNXBMFYSA-N 0 0 446.979 5.510 50 0 IKAARN CC(=O)N(c1nc(CN2CCC[C@H]2c2cccn2C)cs1)c1ccc(Cl)c(Cl)c1 ZINC000025051710 557191296 /nfs/dbraw/zinc/19/12/96/557191296.db2.gz DBQSGZSRVOARCP-FQEVSTJZSA-N 0 0 449.407 5.810 50 0 IKAARN CC(=O)N(c1nc(CN2CCC[C@@H]2c2cccn2C)cs1)c1ccc(Cl)c(Cl)c1 ZINC000025051704 557191366 /nfs/dbraw/zinc/19/13/66/557191366.db2.gz DBQSGZSRVOARCP-HXUWFJFHSA-N 0 0 449.407 5.810 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1Cl ZINC000009699367 557191797 /nfs/dbraw/zinc/19/17/97/557191797.db2.gz VKQODBIFCDVCOR-UHFFFAOYSA-N 0 0 442.397 5.095 50 0 IKAARN Cc1cc(NC(=S)NC(=O)C=Cc2ccco2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000009601599 557191820 /nfs/dbraw/zinc/19/18/20/557191820.db2.gz ZUYVTEMRFBFVSS-PKNBQFBNSA-N 0 0 445.500 5.113 50 0 IKAARN Cc1cccn2cc(COc3cccc(C(=O)N(C)c4nc5ccccc5s4)c3)nc12 ZINC000025058117 557192328 /nfs/dbraw/zinc/19/23/28/557192328.db2.gz KHKIVIRKVUXMDS-UHFFFAOYSA-N 0 0 428.517 5.108 50 0 IKAARN O=C(CSc1ncnc2sccc21)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000025056432 557192367 /nfs/dbraw/zinc/19/23/67/557192367.db2.gz NKBXAVBWLIHXBM-UHFFFAOYSA-N 0 0 425.510 5.031 50 0 IKAARN Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccco3)C34CC5CC(CC(C5)C3)C4)ccc12 ZINC000025056807 557192393 /nfs/dbraw/zinc/19/23/93/557192393.db2.gz JZXCRVIZPCRENE-UHFFFAOYSA-N 0 0 447.531 5.071 50 0 IKAARN CC(C)Cc1noc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 ZINC000025057780 557192485 /nfs/dbraw/zinc/19/24/85/557192485.db2.gz IZSOVXXGCHFHBF-UHFFFAOYSA-N 0 0 439.610 5.047 50 0 IKAARN Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c(Cl)c1 ZINC000009678928 557192515 /nfs/dbraw/zinc/19/25/15/557192515.db2.gz YRWUQWSDBPKFKV-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN CCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N/c1ccccc1 ZINC000100857977 557193184 /nfs/dbraw/zinc/19/31/84/557193184.db2.gz VYCBEKSJSQZUQL-OCEACIFDSA-N 0 0 431.561 6.403 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c3c(C)noc3n2)s1 ZINC000025063948 557193672 /nfs/dbraw/zinc/19/36/72/557193672.db2.gz ZSUGKECAQJDIPK-UHFFFAOYSA-N 0 0 443.532 5.026 50 0 IKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)s1 ZINC000096280618 557193864 /nfs/dbraw/zinc/19/38/64/557193864.db2.gz XRLLHSZQYNDNIY-IBGZPJMESA-N 0 0 441.666 6.052 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)CC1 ZINC000096281928 557193910 /nfs/dbraw/zinc/19/39/10/557193910.db2.gz FJTWWMAOKVMEDK-SFHVURJKSA-N 0 0 430.980 5.096 50 0 IKAARN COc1ccc(Oc2c(CN(C(=O)NC(C)C)C(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000096279592 557194012 /nfs/dbraw/zinc/19/40/12/557194012.db2.gz TULDSNYRNCVORC-UHFFFAOYSA-N 0 0 436.556 5.310 50 0 IKAARN CC[C@H](C)NC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000096290094 557194286 /nfs/dbraw/zinc/19/42/86/557194286.db2.gz BSZRPHBEIQMVRY-NRFANRHFSA-N 0 0 425.576 6.132 50 0 IKAARN Cc1sc2nc([C@H](C)SCC(=O)N[C@@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C ZINC000025068821 557194314 /nfs/dbraw/zinc/19/43/14/557194314.db2.gz ZWGVGTKPGKUYFD-JSGCOSHPSA-N 0 0 441.578 5.019 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)N2CCC(Cc3ccc(-n4cccc4)cc3)CC2)c1 ZINC000023306012 557194756 /nfs/dbraw/zinc/19/47/56/557194756.db2.gz NFZKWPZXWPFLGR-UHFFFAOYSA-N 0 0 431.536 5.141 50 0 IKAARN CC1=CC(C)(C)N2C(=O)C3(c4cccc1c42)N(Cc1ccccc1)CCN3Cc1ccccc1 ZINC000096305606 557195349 /nfs/dbraw/zinc/19/53/49/557195349.db2.gz QKAYWWFVARMCHA-UHFFFAOYSA-N 0 0 449.598 5.400 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2n[nH]c3ccccc32)cc1C ZINC000025105317 557195472 /nfs/dbraw/zinc/19/54/72/557195472.db2.gz BMSYCCDQPQTQAK-UHFFFAOYSA-N 0 0 435.531 5.305 50 0 IKAARN O=C(Oc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000025126810 557195839 /nfs/dbraw/zinc/19/58/39/557195839.db2.gz ZGBJVEINCQVOBU-UHFFFAOYSA-N 0 0 448.680 5.383 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c1)c1ccc(F)cc1 ZINC000034735342 557196519 /nfs/dbraw/zinc/19/65/19/557196519.db2.gz FUNIPJSTVMJURR-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN CCOc1cc(CN(C)C(=O)c2sc(-c3ccc(C)o3)nc2C)ccc1OC(F)F ZINC000025147301 557196848 /nfs/dbraw/zinc/19/68/48/557196848.db2.gz HLYNYAPHPYXEOZ-UHFFFAOYSA-N 0 0 436.480 5.292 50 0 IKAARN O=C(C=Cc1ccc(F)cc1)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000100880229 557198320 /nfs/dbraw/zinc/19/83/20/557198320.db2.gz RBDULFMVGAQDCJ-HRNYAPDYSA-N 0 0 437.478 5.125 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cc2ccccc2[nH]c1=O ZINC000025178788 557198713 /nfs/dbraw/zinc/19/87/13/557198713.db2.gz ABIOTYZUHPLZKS-UHFFFAOYSA-N 0 0 430.316 5.135 50 0 IKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000100906311 557199331 /nfs/dbraw/zinc/19/93/31/557199331.db2.gz QNYDWYBXEMBFRU-OAQYLSRUSA-N 0 0 437.305 6.447 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccc2F)CCCC1 ZINC000000792657 557199645 /nfs/dbraw/zinc/19/96/45/557199645.db2.gz NJAIBMMXFQOEBE-UHFFFAOYSA-N 0 0 434.511 5.629 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1c(OC)cccc1OC ZINC000023307493 557199863 /nfs/dbraw/zinc/19/98/63/557199863.db2.gz SWNBZSJSCDJGIV-AWEZNQCLSA-N 0 0 433.570 5.734 50 0 IKAARN CCOC(=O)C(=CNc1ccc(OC)cc1)Sc1ncc(C(F)(F)F)cc1Cl ZINC000100915340 557199940 /nfs/dbraw/zinc/19/99/40/557199940.db2.gz NIBRIDQDNWTTCJ-XNTDXEJSSA-N 0 0 432.851 5.371 50 0 IKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000025245732 557201103 /nfs/dbraw/zinc/20/11/03/557201103.db2.gz TWTBZTZVZLZUQU-UHFFFAOYSA-N 0 0 437.528 5.369 50 0 IKAARN O=C(n1cc(-c2ccc(-c3cccc(CO)c3)cc2)nn1)N1CCCC[C@H]1c1ccccc1 ZINC000169340067 557201715 /nfs/dbraw/zinc/20/17/15/557201715.db2.gz GICNKPZHUCVFNM-SANMLTNESA-N 0 0 438.531 5.300 50 0 in-vitro IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(-c2ccccc2F)s1 ZINC000025277765 557202389 /nfs/dbraw/zinc/20/23/89/557202389.db2.gz SHTMNMLGPZMWBN-ZRDIBKRKSA-N 0 0 437.496 5.649 50 0 IKAARN COc1ccc(Cl)c(CN(C)N2c3ccccc3[C@H](c3ccccc3)C2=O)c1Cl ZINC000096545077 557202690 /nfs/dbraw/zinc/20/26/90/557202690.db2.gz UDBNFICHHOQVKX-NRFANRHFSA-N 0 0 427.331 5.528 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C(C)C)s3)[C@H]2c2cccs2)cc1 ZINC000025323890 557203790 /nfs/dbraw/zinc/20/37/90/557203790.db2.gz ZTZRDJVYJOUDGD-LPHOPBHVSA-N 0 0 440.594 5.154 50 0 IKAARN c1ccc(C2=C(c3ccccc3)[C@H](c3ccccc3)C(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000169555941 557204099 /nfs/dbraw/zinc/20/40/99/557204099.db2.gz ONCRRKVNEMITTH-DNLKRGSKSA-N 0 0 448.609 8.962 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000025329876 557204606 /nfs/dbraw/zinc/20/46/06/557204606.db2.gz SCTQJVXGCFVDMU-JXMROGBWSA-N 0 0 447.582 5.681 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025392830 557207719 /nfs/dbraw/zinc/20/77/19/557207719.db2.gz FJHPBGSLXVLRHX-UHFFFAOYSA-N 0 0 427.935 5.699 50 0 IKAARN O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(N2CCCCCC2)nc1 ZINC000247725686 557208193 /nfs/dbraw/zinc/20/81/93/557208193.db2.gz DKBJLIWYDAQICO-ZSHCYNCHSA-N 0 0 437.428 5.101 50 0 IKAARN CCCCc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1 ZINC000011612172 557208719 /nfs/dbraw/zinc/20/87/19/557208719.db2.gz WAXPWDWWMMSCAW-VWLOTQADSA-N 0 0 444.600 6.238 50 0 IKAARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000100971929 557208880 /nfs/dbraw/zinc/20/88/80/557208880.db2.gz IAEIIBHELACHGY-KMRXNPHXSA-N 0 0 438.527 6.265 50 0 IKAARN O=C1C[C@@H](Sc2nc(-c3ccccc3)cs2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100968269 557208916 /nfs/dbraw/zinc/20/89/16/557208916.db2.gz IBNOLKNERLJVEQ-MRXNPFEDSA-N 0 0 435.357 5.541 50 0 IKAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000072240586 557209003 /nfs/dbraw/zinc/20/90/03/557209003.db2.gz NDBLODQIIJURFR-UHFFFAOYSA-N 0 0 439.446 5.231 50 0 IKAARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000100971935 557209004 /nfs/dbraw/zinc/20/90/04/557209004.db2.gz IAEIIBHELACHGY-LYZGTLIUSA-N 0 0 438.527 6.265 50 0 IKAARN CCc1cccc2c(C(=O)[C@@H](Sc3nc(C)c(CC(N)=O)s3)c3ccccc3)c[nH]c21 ZINC000024902078 557209273 /nfs/dbraw/zinc/20/92/73/557209273.db2.gz BNGNVIYNKVEJKQ-QHCPKHFHSA-N 0 0 449.601 5.239 50 0 IKAARN COC(=O)[C@@H]1Cc2ccccc2CN1Cn1c2ccccc2n(-c2cccc(C)c2)c1=S ZINC000025426988 557209271 /nfs/dbraw/zinc/20/92/71/557209271.db2.gz IQGMYNLSGUKWTK-DEOSSOPVSA-N 0 0 443.572 5.027 50 0 IKAARN C[C@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000025424773 557209283 /nfs/dbraw/zinc/20/92/83/557209283.db2.gz NQXCIMKMLRBXAC-XMGGNUPJSA-N 0 0 446.572 5.341 50 0 IKAARN CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000011614565 557209538 /nfs/dbraw/zinc/20/95/38/557209538.db2.gz AUXOQMGCKYPVMW-QFIPXVFZSA-N 0 0 446.890 5.298 50 0 IKAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccc(F)cc1F ZINC000011613705 557209888 /nfs/dbraw/zinc/20/98/88/557209888.db2.gz GOHOJLLRVGVGTP-UHFFFAOYSA-N 0 0 433.443 5.050 50 0 IKAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)o1 ZINC000011614333 557210643 /nfs/dbraw/zinc/21/06/43/557210643.db2.gz SECYWCJGQCAMEA-IBGZPJMESA-N 0 0 448.887 5.707 50 0 IKAARN CN1c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766215 557211852 /nfs/dbraw/zinc/21/18/52/557211852.db2.gz NGGJUJARFYYOGK-VWLOTQADSA-N 0 0 441.531 5.523 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccccc1C(F)(F)F ZINC000023310018 557212066 /nfs/dbraw/zinc/21/20/66/557212066.db2.gz PVWQUBLAPSSDRT-ZDUSSCGKSA-N 0 0 441.515 6.736 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000169772461 557212113 /nfs/dbraw/zinc/21/21/13/557212113.db2.gz UPGJRSHICQFJIM-UHFFFAOYSA-N 0 0 442.441 5.143 50 0 IKAARN O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1I ZINC000011618928 557212334 /nfs/dbraw/zinc/21/23/34/557212334.db2.gz BOFYYGSFABMRLX-UHFFFAOYSA-N 0 0 428.273 5.009 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cc4ccccc4)cc3)n2)cc1OC ZINC000011617465 557212410 /nfs/dbraw/zinc/21/24/10/557212410.db2.gz OQYPKRXHCUGGJZ-UHFFFAOYSA-N 0 0 430.529 5.670 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1cc(Br)ccc1C(=O)c1ccccc1 ZINC000011617155 557212765 /nfs/dbraw/zinc/21/27/65/557212765.db2.gz JGVKDELIUOKBKK-UHFFFAOYSA-N 0 0 444.328 6.015 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)c(OC)c1 ZINC000000797637 557212864 /nfs/dbraw/zinc/21/28/64/557212864.db2.gz CDCNAKWYNBPQQX-MHZLTWQESA-N 0 0 439.596 5.360 50 0 biogenic IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1OC ZINC000011617243 557213033 /nfs/dbraw/zinc/21/30/33/557213033.db2.gz IQOYOSVTDMCJCK-UHFFFAOYSA-N 0 0 432.501 5.872 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cc(Cl)ccc1Cl ZINC000011617411 557213289 /nfs/dbraw/zinc/21/32/89/557213289.db2.gz WOQIZQYCYBOFFH-UHFFFAOYSA-N 0 0 429.126 5.527 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000011617418 557213369 /nfs/dbraw/zinc/21/33/69/557213369.db2.gz IZYNVAWJXIIZLI-UHFFFAOYSA-N 0 0 449.146 5.836 50 0 IKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000011617429 557213410 /nfs/dbraw/zinc/21/34/10/557213410.db2.gz LJGQONIAMBIKNR-UHFFFAOYSA-N 0 0 446.315 5.023 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000011617416 557213488 /nfs/dbraw/zinc/21/34/88/557213488.db2.gz VVUYBSIEKZZZBG-UHFFFAOYSA-N 0 0 438.380 5.330 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000000799072 557213646 /nfs/dbraw/zinc/21/36/46/557213646.db2.gz CKHUXXWXBZGOEI-UHFFFAOYSA-N 0 0 432.405 5.821 50 0 IKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(Br)c1C ZINC000025539915 557213717 /nfs/dbraw/zinc/21/37/17/557213717.db2.gz PZVQHEZTACHUMV-RMKNXTFCSA-N 0 0 425.120 5.181 50 0 IKAARN CN(C)C(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000025544645 557213827 /nfs/dbraw/zinc/21/38/27/557213827.db2.gz TXZSVTIZKHVCEO-UHFFFAOYSA-N 0 0 427.529 5.431 50 0 IKAARN CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558661 557214010 /nfs/dbraw/zinc/21/40/10/557214010.db2.gz ICVHYTCZBQRDJR-QZTJIDSGSA-N 0 0 440.168 6.426 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C=C[C@H]2C1)[C@@H]1CC[C@@H]([C@H](C)CCCC(C)C)[C@]1(C)CC3 ZINC000025550953 557214120 /nfs/dbraw/zinc/21/41/20/557214120.db2.gz FPJXKDXIHYNGKR-MKYHDKTESA-N 0 0 426.685 7.880 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025558764 557214379 /nfs/dbraw/zinc/21/43/79/557214379.db2.gz ISSZIJHQYGATBM-LADGPHEKSA-N 0 0 449.348 6.090 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025558771 557214462 /nfs/dbraw/zinc/21/44/62/557214462.db2.gz ISSZIJHQYGATBM-ISKFKSNPSA-N 0 0 449.348 6.090 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000025559817 557214869 /nfs/dbraw/zinc/21/48/69/557214869.db2.gz ZQLZSUTVFARGDZ-UTKZUKDTSA-N 0 0 425.282 5.293 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025579254 557216031 /nfs/dbraw/zinc/21/60/31/557216031.db2.gz OYYOSRCXTNKSGT-ATIYNZHBSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025579245 557216051 /nfs/dbraw/zinc/21/60/51/557216051.db2.gz OYYOSRCXTNKSGT-BKMJKUGQSA-N 0 0 430.504 5.345 50 0 IKAARN CCCC[C@H](CC)COCCCNC(=O)c1cncn1-c1ccc(-c2ccccc2C)cc1 ZINC000023318165 557216266 /nfs/dbraw/zinc/21/62/66/557216266.db2.gz ZCQZWQFHCNQFIF-QHCPKHFHSA-N 0 0 447.623 6.201 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)c1 ZINC000025581924 557216687 /nfs/dbraw/zinc/21/66/87/557216687.db2.gz UXQGZXXFEUNYLH-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)cc3)=NN21 ZINC000025582705 557216920 /nfs/dbraw/zinc/21/69/20/557216920.db2.gz YCTWYGIHODUDOI-URXFXBBRSA-N 0 0 449.348 6.008 50 0 IKAARN COc1cc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000025583166 557216953 /nfs/dbraw/zinc/21/69/53/557216953.db2.gz HJWQVJMHMFWSQI-NLFFAJNJSA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1Br ZINC000025582680 557216974 /nfs/dbraw/zinc/21/69/74/557216974.db2.gz DRNNPHFLRGTFHV-ZJSXRUAMSA-N 0 0 449.348 6.008 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1OC ZINC000025582564 557216994 /nfs/dbraw/zinc/21/69/94/557216994.db2.gz PXEZZSDQPQEYKI-YKSBVNFPSA-N 0 0 438.886 5.739 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c(Cl)c1 ZINC000025583669 557217251 /nfs/dbraw/zinc/21/72/51/557217251.db2.gz HRVYJLLIFZNVGP-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025583366 557217297 /nfs/dbraw/zinc/21/72/97/557217297.db2.gz FQEXLYZAJNXJBL-NFBKMPQASA-N 0 0 435.321 5.700 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2cnc(-c3ccccc3)cc12 ZINC000025584440 557217336 /nfs/dbraw/zinc/21/73/36/557217336.db2.gz WISPYXBJIUOYJZ-UHFFFAOYSA-N 0 0 446.506 6.076 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2cnc(-c3ccccc3)cc12 ZINC000025584425 557217342 /nfs/dbraw/zinc/21/73/42/557217342.db2.gz XBVSOMQPEGXECJ-UHFFFAOYSA-N 0 0 438.405 5.428 50 0 IKAARN COc1ccc(-n2c(-c3ccc(Br)cc3)cs/c2=N\C2=NCCC2)cc1 ZINC000025586242 557217622 /nfs/dbraw/zinc/21/76/22/557217622.db2.gz GURNRJHSDXPHHN-ATJXCDBQSA-N 0 0 428.355 5.070 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(CN4CCCC4)n3Cc3ccccc3)co2)cc1 ZINC000024912915 557217667 /nfs/dbraw/zinc/21/76/67/557217667.db2.gz IXIZAXYREWLSGJ-UHFFFAOYSA-N 0 0 445.592 5.178 50 0 IKAARN O=c1c2oc3ccccc3c2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025612624 557219430 /nfs/dbraw/zinc/21/94/30/557219430.db2.gz YPLLACFXDPCVJA-UHFFFAOYSA-N 0 0 427.407 5.333 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000025622163 557220084 /nfs/dbraw/zinc/22/00/84/557220084.db2.gz BCZNHBQHBQELAT-UHFFFAOYSA-N 0 0 449.576 5.075 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)c1C ZINC000010013026 557224676 /nfs/dbraw/zinc/22/46/76/557224676.db2.gz MIAVSRWLICRPHN-UHFFFAOYSA-N 0 0 441.478 6.433 50 0 IKAARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Br)cc1 ZINC000101071534 557225013 /nfs/dbraw/zinc/22/50/13/557225013.db2.gz FYUDAFDQNSJSPT-SFHVURJKSA-N 0 0 436.309 5.554 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Br)cc3)C2)cc1C ZINC000101071637 557225226 /nfs/dbraw/zinc/22/52/26/557225226.db2.gz FVCBECBRWBVZJX-QHCPKHFHSA-N 0 0 430.349 6.472 50 0 IKAARN Cc1cc2c(cc1C)N[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000101073214 557225245 /nfs/dbraw/zinc/22/52/45/557225245.db2.gz KXTRRAANNZFXSC-JOCHJYFZSA-N 0 0 425.370 6.937 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000025782596 557225693 /nfs/dbraw/zinc/22/56/93/557225693.db2.gz BTQABEHTWQHGQV-IFMALSPDSA-N 0 0 431.269 6.514 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000025782870 557225760 /nfs/dbraw/zinc/22/57/60/557225760.db2.gz YONHAASWKKKLHS-NZQKXSOJSA-N 0 0 443.305 6.383 50 0 IKAARN CCOC(=O)c1c2c(sc1C1=NNc3cc(Cl)c(Cl)cc3N1O)CCCC2 ZINC000025781651 557225871 /nfs/dbraw/zinc/22/58/71/557225871.db2.gz YWOITUBGHNKBQJ-UHFFFAOYSA-N 0 0 426.325 5.093 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1ccccc1O[C@@H]2c1cccc(Cl)c1 ZINC000025783790 557226144 /nfs/dbraw/zinc/22/61/44/557226144.db2.gz QEIYBEYZJLEQCU-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccs4)C32)c1 ZINC000025783896 557226430 /nfs/dbraw/zinc/22/64/30/557226430.db2.gz DULQRBLQAKSTLV-RTWAWAEBSA-N 0 0 436.899 5.345 50 0 IKAARN Clc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783836 557226443 /nfs/dbraw/zinc/22/64/43/557226443.db2.gz ODGAOMDKZCQZCD-PKTZIBPZSA-N 0 0 447.325 5.798 50 0 IKAARN Clc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000025783835 557226485 /nfs/dbraw/zinc/22/64/85/557226485.db2.gz ODGAOMDKZCQZCD-XZOQPEGZSA-N 0 0 447.325 5.798 50 0 IKAARN CC(C)c1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 ZINC000011657935 557227277 /nfs/dbraw/zinc/22/72/77/557227277.db2.gz JNKJIEABYWVINA-UHFFFAOYSA-N 0 0 435.574 5.301 50 0 IKAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(Cl)cc1Cl ZINC000018021892 557227286 /nfs/dbraw/zinc/22/72/86/557227286.db2.gz OYOMPEBOZRALPP-GFCCVEGCSA-N 0 0 431.348 5.344 50 0 IKAARN C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(Cl)cc1Cl ZINC000018021895 557227403 /nfs/dbraw/zinc/22/74/03/557227403.db2.gz OYOMPEBOZRALPP-LBPRGKRZSA-N 0 0 431.348 5.344 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1ccc(Cl)cc1 ZINC000011653767 557227676 /nfs/dbraw/zinc/22/76/76/557227676.db2.gz RCZHUKRKHMZCNE-UHFFFAOYSA-N 0 0 438.911 5.181 50 0 IKAARN COc1cc(C2SCCS2)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000025816806 557227815 /nfs/dbraw/zinc/22/78/15/557227815.db2.gz FLRYXMSUJRSKMG-UHFFFAOYSA-N 0 0 437.586 6.005 50 0 IKAARN COc1cc2c(cc1NC(=O)CCc1c(C)nc3cc(C)nn3c1C)oc1ccccc12 ZINC000025869232 557229149 /nfs/dbraw/zinc/22/91/49/557229149.db2.gz IYZPCYJASFPIOM-UHFFFAOYSA-N 0 0 428.492 5.134 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000025868995 557229158 /nfs/dbraw/zinc/22/91/58/557229158.db2.gz JWPFNQGFLLGXRP-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000025897492 557229473 /nfs/dbraw/zinc/22/94/73/557229473.db2.gz KYROQKYPANPYNB-XMMPIXPASA-N 0 0 445.588 5.166 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000032949947 557231227 /nfs/dbraw/zinc/23/12/27/557231227.db2.gz ZRQAYOKTDGXCIE-UHFFFAOYSA-N 0 0 437.853 5.281 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc3cccnc31)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018038508 557232248 /nfs/dbraw/zinc/23/22/48/557232248.db2.gz TZTZHUYTZKHNCN-IHBRBHLJSA-N 0 0 430.507 5.478 50 0 IKAARN Cc1cccc(CNC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023321115 557232325 /nfs/dbraw/zinc/23/23/25/557232325.db2.gz PZZCUTDCTJSMOW-VWLOTQADSA-N 0 0 433.983 5.265 50 0 IKAARN CCOC(C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)(c1ccccc1)c1ccccc1 ZINC000008012815 557232414 /nfs/dbraw/zinc/23/24/14/557232414.db2.gz VYTJOCRXZMGGAZ-XMMPIXPASA-N 0 0 427.548 5.357 50 0 IKAARN CCCCc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098073045 557233260 /nfs/dbraw/zinc/23/32/60/557233260.db2.gz XCIBQLZNHUIDPG-UHFFFAOYSA-N 0 0 436.293 5.611 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1 ZINC000098086917 557233604 /nfs/dbraw/zinc/23/36/04/557233604.db2.gz IBSUEBBKLJTRAS-UHFFFAOYSA-N 0 0 443.572 6.228 50 0 IKAARN C[C@H](C(=O)Nc1ccc(Br)cc1Cl)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073336 557233718 /nfs/dbraw/zinc/23/37/18/557233718.db2.gz UITCCBVTOLKNGW-AWEZNQCLSA-N 0 0 442.740 6.076 50 0 IKAARN CC(C)Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000032950170 557233927 /nfs/dbraw/zinc/23/39/27/557233927.db2.gz NAVYIDSDEBBGFS-UHFFFAOYSA-N 0 0 429.927 5.291 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c(C)c1 ZINC000026090048 557234012 /nfs/dbraw/zinc/23/40/12/557234012.db2.gz ZIOIIQOUKYDDDV-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1nc(-c2cccs2)no1 ZINC000026111792 557234519 /nfs/dbraw/zinc/23/45/19/557234519.db2.gz YJXQBALFDVVFNT-GFCCVEGCSA-N 0 0 434.550 5.726 50 0 IKAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000098212268 557235498 /nfs/dbraw/zinc/23/54/98/557235498.db2.gz WLXBUNPSHYGSDG-IBGZPJMESA-N 0 0 435.524 5.029 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1cccc(C)c1C ZINC000026129161 557235723 /nfs/dbraw/zinc/23/57/23/557235723.db2.gz ILKDRAYPAROZGB-UHFFFAOYSA-N 0 0 440.550 5.688 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3ccoc3C)o2)cs1 ZINC000026129148 557235775 /nfs/dbraw/zinc/23/57/75/557235775.db2.gz AMYBMDUJCSBIPF-UHFFFAOYSA-N 0 0 440.550 5.634 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1ccc(C)cc1C ZINC000026129143 557235797 /nfs/dbraw/zinc/23/57/97/557235797.db2.gz JIPZTZDUYNQNIS-UHFFFAOYSA-N 0 0 440.550 5.688 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000018085239 557235934 /nfs/dbraw/zinc/23/59/34/557235934.db2.gz CZUDJILWSYVQCR-ZLNRFVROSA-N 0 0 432.907 5.008 50 0 IKAARN Cc1sc2ncnc(SCC(=O)Nc3cccc(C4SCCCS4)c3)c2c1C ZINC000018112308 557237972 /nfs/dbraw/zinc/23/79/72/557237972.db2.gz DBXPTVZTYPQMKX-UHFFFAOYSA-N 0 0 447.676 5.908 50 0 IKAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(Cl)c1 ZINC000032950783 557238567 /nfs/dbraw/zinc/23/85/67/557238567.db2.gz MPAAQOBNDDGQOT-UHFFFAOYSA-N 0 0 438.314 5.317 50 0 IKAARN Cc1ccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)cc1C ZINC000018121966 557240083 /nfs/dbraw/zinc/24/00/83/557240083.db2.gz MXYMZYRTKYEMQT-UHFFFAOYSA-N 0 0 446.572 5.605 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cs2)cc1 ZINC000026436329 557241020 /nfs/dbraw/zinc/24/10/20/557241020.db2.gz QLRTUFPFVXIJSE-KRWDZBQOSA-N 0 0 427.482 5.137 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000026461387 557241902 /nfs/dbraw/zinc/24/19/02/557241902.db2.gz NGCOCSYECKWQCU-IBGZPJMESA-N 0 0 434.298 5.391 50 0 IKAARN Cc1ccc(-c2nc(CN3CCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)co2)c(C)c1 ZINC000026461314 557241984 /nfs/dbraw/zinc/24/19/84/557241984.db2.gz BURXMFJXDRMTEJ-NRFANRHFSA-N 0 0 444.362 5.868 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCc3ccc(Cl)cc3)[C@@H]2C2=C1CCC2 ZINC000026464330 557242006 /nfs/dbraw/zinc/24/20/06/557242006.db2.gz VXPUVNNOJLOVOH-UGKGYDQZSA-N 0 0 442.053 7.063 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccs1 ZINC000100141916 557242596 /nfs/dbraw/zinc/24/25/96/557242596.db2.gz OKEJNLLYRTVSRU-XMMPIXPASA-N 0 0 428.557 6.854 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(OC(C)C)cc4)no3)nn2)cc1C ZINC000032951373 557245551 /nfs/dbraw/zinc/24/55/51/557245551.db2.gz AKLOSIOZFRKZQV-UHFFFAOYSA-N 0 0 432.549 5.890 50 0 IKAARN CC(C)(C)C(=O)[C@@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 ZINC000018173346 557245657 /nfs/dbraw/zinc/24/56/57/557245657.db2.gz WQYMXSDLXWSBIZ-MRXNPFEDSA-N 0 0 447.375 5.726 50 0 IKAARN Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c2nc(C(Cl)(Cl)Cl)[nH]c(=O)c12 ZINC000018189235 557246363 /nfs/dbraw/zinc/24/63/63/557246363.db2.gz WIOVYWVWBZUWHW-UHFFFAOYSA-N 0 0 446.043 5.328 50 0 IKAARN COc1ccc(CCNC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)cc1OC ZINC000026688099 557246837 /nfs/dbraw/zinc/24/68/37/557246837.db2.gz YULKOBWEBOVQKG-UHFFFAOYSA-N 0 0 431.985 5.842 50 0 IKAARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000018193692 557246944 /nfs/dbraw/zinc/24/69/44/557246944.db2.gz XKVAIFJKYPOYDL-UHFFFAOYSA-N 0 0 437.495 5.514 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000018193703 557247328 /nfs/dbraw/zinc/24/73/28/557247328.db2.gz QYUIBNQVVDSQOO-UHFFFAOYSA-N 0 0 442.371 6.409 50 0 IKAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2SC[C@H]2CCCO2)cs1 ZINC000026884531 557250175 /nfs/dbraw/zinc/25/01/75/557250175.db2.gz OCTZDAYDMRQWSA-LJQANCHMSA-N 0 0 436.602 5.593 50 0 IKAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000005688285 557251436 /nfs/dbraw/zinc/25/14/36/557251436.db2.gz WCVUEYKLQOPBJZ-VWLOTQADSA-N 0 0 427.548 5.177 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2c1 ZINC000012651123 557251458 /nfs/dbraw/zinc/25/14/58/557251458.db2.gz UCXDHDPZPAXQTG-UHFFFAOYSA-N 0 0 438.914 7.376 50 0 IKAARN Nc1c2ccc(-c3ccc(Cl)cc3)nc2sc1C(=O)c1ccc(Br)cc1 ZINC000072265534 557251646 /nfs/dbraw/zinc/25/16/46/557251646.db2.gz NTUGLPQOMLUFJD-UHFFFAOYSA-N 0 0 443.753 6.192 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cccc2C)cc1 ZINC000018209290 557251880 /nfs/dbraw/zinc/25/18/80/557251880.db2.gz OPQZCYMGRXRPPF-UHFFFAOYSA-N 0 0 429.472 5.307 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncn4c(SCc5ccccc5)nnc34)[C@@H]2C2=C1CCC2 ZINC000026959941 557252125 /nfs/dbraw/zinc/25/21/25/557252125.db2.gz GPPLAZKVPMJOLV-CVDCTZTESA-N 0 0 447.633 6.057 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c4nnc(SCc5ccccc5)n4cnc3[C@@H]2C2=C1CCC2 ZINC000026959938 557252153 /nfs/dbraw/zinc/25/21/53/557252153.db2.gz GPPLAZKVPMJOLV-WMZHIEFXSA-N 0 0 447.633 6.057 50 0 IKAARN O=C(CSc1ncnc2ccsc21)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000026959793 557252190 /nfs/dbraw/zinc/25/21/90/557252190.db2.gz JNZDEPHTPODRFO-AWEZNQCLSA-N 0 0 442.616 5.284 50 0 IKAARN O=C(Nc1ccccc1Br)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000101094291 557252206 /nfs/dbraw/zinc/25/22/06/557252206.db2.gz BJWWOFQXNDMNBG-UHFFFAOYSA-N 0 0 442.313 5.554 50 0 IKAARN CCO[P@](=O)(c1ccccc1)[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000026962892 557252448 /nfs/dbraw/zinc/25/24/48/557252448.db2.gz SGDZPTMIISDAHO-MRDQGFSESA-N 0 0 434.687 5.061 50 0 IKAARN CCO[P@@](=O)(c1ccccc1)[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000026962903 557252539 /nfs/dbraw/zinc/25/25/39/557252539.db2.gz SGDZPTMIISDAHO-QLXKLKPCSA-N 0 0 434.687 5.061 50 0 IKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 ZINC000026964283 557252773 /nfs/dbraw/zinc/25/27/73/557252773.db2.gz PDVPTWVWZIYPJL-UHFFFAOYSA-N 0 0 433.792 6.065 50 0 IKAARN C=CS(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1OC ZINC000026963443 557252813 /nfs/dbraw/zinc/25/28/13/557252813.db2.gz FTVDYRCRFZOSNL-UHFFFAOYSA-N 0 0 442.345 5.386 50 0 IKAARN Cn1c(=O)c2sc(=S)n(-c3ccc(Cl)cc3)c2nc1SCc1ccccc1 ZINC000032952778 557252918 /nfs/dbraw/zinc/25/29/18/557252918.db2.gz SPHNYXHIHQTCGC-UHFFFAOYSA-N 0 0 431.995 5.461 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000018239025 557253714 /nfs/dbraw/zinc/25/37/14/557253714.db2.gz USQPYCJXXADDOO-QHCPKHFHSA-N 0 0 428.488 5.390 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000027019725 557254641 /nfs/dbraw/zinc/25/46/41/557254641.db2.gz GWIZYIRCHFHMFF-UHFFFAOYSA-N 0 0 449.450 5.058 50 0 IKAARN COc1ccc(NC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000027020092 557254993 /nfs/dbraw/zinc/25/49/93/557254993.db2.gz TZDBMEZRBBVTFQ-UHFFFAOYSA-N 0 0 429.514 5.980 50 0 IKAARN CCc1ccc([C@H]2C(c3nc4ccccc4s3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000027021755 557255150 /nfs/dbraw/zinc/25/51/50/557255150.db2.gz XKTGQHXMMAPHND-SFHVURJKSA-N 0 0 434.546 5.076 50 0 IKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 ZINC000101100740 557255157 /nfs/dbraw/zinc/25/51/57/557255157.db2.gz PCWCLNAJFGJURE-QFIPXVFZSA-N 0 0 439.353 6.262 50 0 IKAARN Brc1cccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nnnn32)c1 ZINC000101100878 557255513 /nfs/dbraw/zinc/25/55/13/557255513.db2.gz AHJHKWHWTVKNOK-NRFANRHFSA-N 0 0 430.309 5.159 50 0 IKAARN Brc1cccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nnnn32)c1 ZINC000101100877 557255707 /nfs/dbraw/zinc/25/57/07/557255707.db2.gz AHJHKWHWTVKNOK-OAQYLSRUSA-N 0 0 430.309 5.159 50 0 IKAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000027067237 557256535 /nfs/dbraw/zinc/25/65/35/557256535.db2.gz AILRJPOGCLQHFW-UHFFFAOYSA-N 0 0 428.410 5.494 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000027125030 557257304 /nfs/dbraw/zinc/25/73/04/557257304.db2.gz NMLIRZHZVVFJPM-YJUNHESCSA-N 0 0 447.538 5.752 50 0 IKAARN O=C(Nc1cccc(C2SCCCS2)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000027131337 557257559 /nfs/dbraw/zinc/25/75/59/557257559.db2.gz MWHMUXMHSRJJKD-UHFFFAOYSA-N 0 0 429.998 5.706 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Br ZINC000000817523 557258101 /nfs/dbraw/zinc/25/81/01/557258101.db2.gz LDUSCUHIKRUHCW-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000024941953 557258135 /nfs/dbraw/zinc/25/81/35/557258135.db2.gz VPDJFERPFXQVCI-HXUWFJFHSA-N 0 0 432.495 5.417 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000024941957 557258140 /nfs/dbraw/zinc/25/81/40/557258140.db2.gz VPDJFERPFXQVCI-FQEVSTJZSA-N 0 0 432.495 5.417 50 0 IKAARN CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 ZINC000011020558 557258503 /nfs/dbraw/zinc/25/85/03/557258503.db2.gz UVUFZFFNMBFMQV-UHFFFAOYSA-N 0 0 442.588 5.305 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3c4ccccc4nnc3-c3ccccc3)sc2c1 ZINC000032953168 557258544 /nfs/dbraw/zinc/25/85/44/557258544.db2.gz QHICDSIEAXWIKQ-UHFFFAOYSA-N 0 0 426.501 5.558 50 0 IKAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000027243347 557259423 /nfs/dbraw/zinc/25/94/23/557259423.db2.gz QEPUGEQXCPUPIX-QGZVFWFLSA-N 0 0 442.437 5.456 50 0 IKAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000027243354 557259434 /nfs/dbraw/zinc/25/94/34/557259434.db2.gz QEPUGEQXCPUPIX-KRWDZBQOSA-N 0 0 442.437 5.456 50 0 IKAARN O=C(NCc1ccccc1Cn1cccn1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000027256746 557259474 /nfs/dbraw/zinc/25/94/74/557259474.db2.gz OKDDBOLFYRONBG-UHFFFAOYSA-N 0 0 434.499 5.183 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccco1 ZINC000100425074 557260728 /nfs/dbraw/zinc/26/07/28/557260728.db2.gz RVIPYCANLASKAA-XMMPIXPASA-N 0 0 443.572 6.943 50 0 IKAARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100425617 557260735 /nfs/dbraw/zinc/26/07/35/557260735.db2.gz FQZCNALJCICLHL-UZTOHYMASA-N 0 0 426.516 6.333 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100426939 557260745 /nfs/dbraw/zinc/26/07/45/557260745.db2.gz DQHZFFNZBCXZDN-NSYGIPOTSA-N 0 0 432.907 6.503 50 0 IKAARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100425623 557260760 /nfs/dbraw/zinc/26/07/60/557260760.db2.gz FQZCNALJCICLHL-PPHZAIPVSA-N 0 0 426.516 6.333 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000100427115 557260774 /nfs/dbraw/zinc/26/07/74/557260774.db2.gz GJOLVIJGYYPNSF-WINIVTDRSA-N 0 0 428.507 6.772 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100426937 557260798 /nfs/dbraw/zinc/26/07/98/557260798.db2.gz DQHZFFNZBCXZDN-GKVSMKOHSA-N 0 0 432.907 6.503 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000100427124 557260810 /nfs/dbraw/zinc/26/08/10/557260810.db2.gz GJOLVIJGYYPNSF-PPHZAIPVSA-N 0 0 428.507 6.772 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100426943 557260825 /nfs/dbraw/zinc/26/08/25/557260825.db2.gz DQHZFFNZBCXZDN-SSOJOUAXSA-N 0 0 432.907 6.503 50 0 IKAARN CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1OC ZINC000027394881 557261831 /nfs/dbraw/zinc/26/18/31/557261831.db2.gz BZNVEZDNYDZVRV-IBGZPJMESA-N 0 0 448.357 5.232 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)Nc3ccc(Br)cc3)ccc2n1 ZINC000032953960 557261821 /nfs/dbraw/zinc/26/18/21/557261821.db2.gz IUPSBCUJQPBGLF-UHFFFAOYSA-N 0 0 427.346 5.796 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000027407255 557261910 /nfs/dbraw/zinc/26/19/10/557261910.db2.gz MVMDECIMXWXGAN-RDTXWAMCSA-N 0 0 448.589 5.029 50 0 IKAARN Cc1cc(NC(=S)NC(=O)C=Cc2ccco2)cc(-c2nc3ccccc3s2)c1O ZINC000012843218 557262297 /nfs/dbraw/zinc/26/22/97/557262297.db2.gz XZVNGIQAFUVPTQ-CMDGGOBGSA-N 0 0 435.530 5.097 50 0 IKAARN CCN(c1ccc2ccccc2c1)[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000027496331 557262844 /nfs/dbraw/zinc/26/28/44/557262844.db2.gz OUGIKJIJGQNZKU-OWSFEGEDSA-N 0 0 447.793 6.192 50 0 IKAARN CCC(CC)(NC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000072271077 557262853 /nfs/dbraw/zinc/26/28/53/557262853.db2.gz ZYMLVRIAGWGJIM-UHFFFAOYSA-N 0 0 435.355 5.360 50 0 IKAARN NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc2ccccc2c1 ZINC000027564096 557265748 /nfs/dbraw/zinc/26/57/48/557265748.db2.gz ASHAGPCLJNISKM-MHZLTWQESA-N 0 0 431.495 5.019 50 0 IKAARN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2ON1c1ccccc1 ZINC000101220499 557266159 /nfs/dbraw/zinc/26/61/59/557266159.db2.gz IRKTWDNRKMSRGK-CYXNTTPDSA-N 0 0 434.495 5.199 50 0 IKAARN CCCCc1ccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)cc1 ZINC000027585439 557266789 /nfs/dbraw/zinc/26/67/89/557266789.db2.gz XFOOMXSKXZHVLR-UHFFFAOYSA-N 0 0 430.552 6.117 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccc(Br)c1 ZINC000000821757 557268061 /nfs/dbraw/zinc/26/80/61/557268061.db2.gz RCBJUNYITPFBEG-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000000822863 557268478 /nfs/dbraw/zinc/26/84/78/557268478.db2.gz MLJHTDLSPKNLND-BOPFTXTBSA-N 0 0 425.893 5.334 50 0 IKAARN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000822155 557268586 /nfs/dbraw/zinc/26/85/86/557268586.db2.gz AEAGSRGXKSBJLE-UHFFFAOYSA-N 0 0 439.533 5.067 50 0 IKAARN COc1ccc(C2=Nc3nc(-c4ccc(C)cc4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101288381 557268604 /nfs/dbraw/zinc/26/86/04/557268604.db2.gz FMLMGXWMPXDWEB-HSZRJFAPSA-N 0 0 428.923 5.972 50 0 IKAARN O=C(NCCc1ccccc1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000825565 557268739 /nfs/dbraw/zinc/26/87/39/557268739.db2.gz YEOMRHUEBRKOGF-UHFFFAOYSA-N 0 0 444.844 5.041 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000027663216 557269425 /nfs/dbraw/zinc/26/94/25/557269425.db2.gz LITGWLOUUJTVBR-UHFFFAOYSA-N 0 0 440.362 6.721 50 0 IKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)Nc1nonc1-c1ccc(Br)cc1 ZINC000027663240 557269464 /nfs/dbraw/zinc/26/94/64/557269464.db2.gz NFTKTASNKDYKFG-UHFFFAOYSA-N 0 0 426.270 5.423 50 0 IKAARN CC1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)CC1 ZINC000011022069 557269506 /nfs/dbraw/zinc/26/95/06/557269506.db2.gz DLGTUFQDGMYDMS-UHFFFAOYSA-N 0 0 444.963 5.077 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nonc1-c1ccc(OCC(C)C)cc1 ZINC000027664091 557269993 /nfs/dbraw/zinc/26/99/93/557269993.db2.gz SDVXPWHEIYWPMT-UHFFFAOYSA-N 0 0 425.872 5.732 50 0 IKAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(C)c2)cc1 ZINC000027664482 557270290 /nfs/dbraw/zinc/27/02/90/557270290.db2.gz IHVJUYOSQNDPRJ-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000100700381 557270454 /nfs/dbraw/zinc/27/04/54/557270454.db2.gz VKTHWCUSUZHQKJ-GGAORHGYSA-N 0 0 437.312 6.139 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Br)cc1)O2 ZINC000100702579 557270473 /nfs/dbraw/zinc/27/04/73/557270473.db2.gz ONDZOWGGSNBILP-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 ZINC000100702509 557270501 /nfs/dbraw/zinc/27/05/01/557270501.db2.gz HFPTUUXSQVVIBT-CVDCTZTESA-N 0 0 449.304 5.420 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100702254 557270540 /nfs/dbraw/zinc/27/05/40/557270540.db2.gz WBNUNZYJBJRCDJ-GGAORHGYSA-N 0 0 443.761 7.198 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC000027664491 557270584 /nfs/dbraw/zinc/27/05/84/557270584.db2.gz YIWQAGWCOCDOJW-OAHLLOKOSA-N 0 0 448.450 5.239 50 0 IKAARN Cn1c(CSc2nc3ccccc3n2CCOc2ccccc2F)nc2ccccc21 ZINC000000827287 557270590 /nfs/dbraw/zinc/27/05/90/557270590.db2.gz MPXMBTOQCPRXIF-UHFFFAOYSA-N 0 0 432.524 5.433 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000100720504 557271052 /nfs/dbraw/zinc/27/10/52/557271052.db2.gz QGORPPLRKSEACI-UNMCSNQZSA-N 0 0 447.724 7.028 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100717381 557271063 /nfs/dbraw/zinc/27/10/63/557271063.db2.gz OHMLIDYFXQCEFR-MRXNPFEDSA-N 0 0 433.762 5.472 50 0 IKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 ZINC000027695219 557271577 /nfs/dbraw/zinc/27/15/77/557271577.db2.gz FDWAUZMPHGXWLI-NRFANRHFSA-N 0 0 425.576 6.050 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C)c1-c1cccc(Cl)c1 ZINC000027698720 557271657 /nfs/dbraw/zinc/27/16/57/557271657.db2.gz KIGKMCJOUOSPKP-UHFFFAOYSA-N 0 0 445.924 5.433 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1 ZINC000027741266 557271840 /nfs/dbraw/zinc/27/18/40/557271840.db2.gz SKXISBUUFVSVDS-AWEZNQCLSA-N 0 0 444.919 5.789 50 0 IKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1)c1cccs1 ZINC000027742106 557271942 /nfs/dbraw/zinc/27/19/42/557271942.db2.gz BIXPHAMUJVJKNN-QGZVFWFLSA-N 0 0 425.351 5.554 50 0 IKAARN CCCOc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027744627 557272474 /nfs/dbraw/zinc/27/24/74/557272474.db2.gz XEZOHOCEAPFNBP-XMMPIXPASA-N 0 0 428.532 5.527 50 0 IKAARN CCCOc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027744619 557272499 /nfs/dbraw/zinc/27/24/99/557272499.db2.gz XEZOHOCEAPFNBP-DEOSSOPVSA-N 0 0 428.532 5.527 50 0 IKAARN COc1cc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)cc(OC)c1OC ZINC000027744912 557272537 /nfs/dbraw/zinc/27/25/37/557272537.db2.gz FUUJWCVSLXHSRE-UHFFFAOYSA-N 0 0 432.476 5.009 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027744642 557272611 /nfs/dbraw/zinc/27/26/11/557272611.db2.gz XTNYSYSWYGZZLZ-NRFANRHFSA-N 0 0 449.348 5.501 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746197 557272900 /nfs/dbraw/zinc/27/29/00/557272900.db2.gz BEERUPJYOJOEBJ-QFIPXVFZSA-N 0 0 434.923 5.157 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(Cl)c1)C(=O)CC(c1cccs1)=N2 ZINC000101319481 557273119 /nfs/dbraw/zinc/27/31/19/557273119.db2.gz BSJAUEOCUPFEPH-UHFFFAOYSA-N 0 0 437.952 5.515 50 0 IKAARN O=C(COc1ccccc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000027749117 557273204 /nfs/dbraw/zinc/27/32/04/557273204.db2.gz SBSRHCVLDQZYAZ-OAQYLSRUSA-N 0 0 449.348 5.258 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)c(C)c1 ZINC000027753297 557273505 /nfs/dbraw/zinc/27/35/05/557273505.db2.gz LDUNCBWFMSXKPT-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1ccccc1Cl)O2 ZINC000100740556 557273696 /nfs/dbraw/zinc/27/36/96/557273696.db2.gz VVAKELWTLYPLHW-AHWVRZQESA-N 0 0 445.349 7.389 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)CC1=O ZINC000027792456 557273850 /nfs/dbraw/zinc/27/38/50/557273850.db2.gz GTSWDXPIBAMHDE-HXUWFJFHSA-N 0 0 433.596 5.529 50 0 IKAARN CC1(C)CC(=O)C(C(c2ccc(-c3ccccc3)o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100741840 557274024 /nfs/dbraw/zinc/27/40/24/557274024.db2.gz SIHZBNSRXSBHMK-UHFFFAOYSA-N 0 0 434.532 5.179 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 ZINC000027792698 557274101 /nfs/dbraw/zinc/27/41/01/557274101.db2.gz MILGHNDTLASZQU-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3cc(C)cc(C)c3)CC2=O)c1 ZINC000027792541 557274110 /nfs/dbraw/zinc/27/41/10/557274110.db2.gz FDHXXENNNGTWEV-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)cc1 ZINC000027792789 557274180 /nfs/dbraw/zinc/27/41/80/557274180.db2.gz LRDNXNYHYKVNAY-OAQYLSRUSA-N 0 0 425.532 5.176 50 0 IKAARN COc1ccc(-c2nsc(NC(=O)c3sc4cc(C)ccc4c3Cl)n2)cc1OC ZINC000027794517 557274839 /nfs/dbraw/zinc/27/48/39/557274839.db2.gz YSXQIQCIFFBHGB-UHFFFAOYSA-N 0 0 445.953 5.651 50 0 IKAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000027795518 557274967 /nfs/dbraw/zinc/27/49/67/557274967.db2.gz WBFLQHSISNIMRD-UHFFFAOYSA-N 0 0 442.382 5.709 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Br)cc1 ZINC000027795524 557274972 /nfs/dbraw/zinc/27/49/72/557274972.db2.gz KJFDZHRLFVMWIF-UHFFFAOYSA-N 0 0 428.355 5.401 50 0 IKAARN CCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000027795467 557274977 /nfs/dbraw/zinc/27/49/77/557274977.db2.gz CHBOVMXAHSJDGE-UHFFFAOYSA-N 0 0 432.294 6.806 50 0 IKAARN COc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)n2C2CCCCC2)cc1 ZINC000013074064 557275388 /nfs/dbraw/zinc/27/53/88/557275388.db2.gz UALXIPWCRBQMPW-UHFFFAOYSA-N 0 0 434.609 5.611 50 0 IKAARN O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000101373344 557275475 /nfs/dbraw/zinc/27/54/75/557275475.db2.gz BRHVXVCDVNHEPY-NIYFSFCBSA-N 0 0 440.568 6.708 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000101373525 557276582 /nfs/dbraw/zinc/27/65/82/557276582.db2.gz DBAXYIIMUYORRC-WTYVLRPYSA-N 0 0 440.518 6.786 50 0 IKAARN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@@H]2C1 ZINC000100825897 557276945 /nfs/dbraw/zinc/27/69/45/557276945.db2.gz MABFDTJNUOTLLK-HZPDHXFCSA-N 0 0 429.303 5.091 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014009295 557279722 /nfs/dbraw/zinc/27/97/22/557279722.db2.gz GNGAFWNGMQIIFB-UHFFFAOYSA-N 0 0 446.594 5.752 50 0 IKAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3cc(C)cc(C)c3)N2[C@H]1c1ccccc1 ZINC000101401113 557280196 /nfs/dbraw/zinc/28/01/96/557280196.db2.gz FQEUQYPMHRHCEB-QHCPKHFHSA-N 0 0 447.560 5.080 50 0 IKAARN COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCc2c[nH]c3ccc(C)cc23)cc1 ZINC000101379445 557281465 /nfs/dbraw/zinc/28/14/65/557281465.db2.gz GYMAZIPAEUISPB-ORIPQNMZSA-N 0 0 439.584 6.490 50 0 IKAARN Cc1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000101379354 557281476 /nfs/dbraw/zinc/28/14/76/557281476.db2.gz BZNPWXBFGIHAOE-PBBVDAKRSA-N 0 0 444.003 7.135 50 0 IKAARN O[C@@]1(c2cccs2)c2cccc(Cl)c2[C@](O)(c2cccs2)c2c(Cl)cccc21 ZINC000101044568 557281846 /nfs/dbraw/zinc/28/18/46/557281846.db2.gz OKLRWQCUSWXCEC-SZPZYZBQSA-N 0 0 445.392 5.998 50 0 IKAARN COc1cc(/C=C/C(=O)N(C)Cc2ccc(Cl)cc2)ccc1OCc1c(C)noc1C ZINC000013096072 557281928 /nfs/dbraw/zinc/28/19/28/557281928.db2.gz KPDVYKWQQCVWJL-XYOKQWHBSA-N 0 0 440.927 5.204 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCC1)c1ccc(Br)cc1 ZINC000101095480 557282911 /nfs/dbraw/zinc/28/29/11/557282911.db2.gz NPTLREAQPVUOTD-UHFFFAOYSA-N 0 0 427.298 5.162 50 0 IKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cccc(NC(=O)C2CC2)c1 ZINC000031182568 557283332 /nfs/dbraw/zinc/28/33/32/557283332.db2.gz ZMEYCHNWUDXONA-UHFFFAOYSA-N 0 0 431.439 5.430 50 0 IKAARN COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1OC(C)=O ZINC000101429297 557283666 /nfs/dbraw/zinc/28/36/66/557283666.db2.gz JBSXCIIACCSYSH-RUZDIDTESA-N 0 0 429.497 5.871 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(CCc4ccccc4)cc3)C12 ZINC000101423963 557283673 /nfs/dbraw/zinc/28/36/73/557283673.db2.gz HZWBKNCFMBQHAL-PMERELPUSA-N 0 0 445.587 7.722 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(CCc4ccccc4)cc3)C12 ZINC000101423959 557283678 /nfs/dbraw/zinc/28/36/78/557283678.db2.gz HZWBKNCFMBQHAL-SSEXGKCCSA-N 0 0 445.587 7.722 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1Br ZINC000000830086 557284236 /nfs/dbraw/zinc/28/42/36/557284236.db2.gz OJSXEJWKBUKJAN-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 ZINC000101459251 557285169 /nfs/dbraw/zinc/28/51/69/557285169.db2.gz GGBIKIVOKMALBV-OAQYLSRUSA-N 0 0 439.277 5.391 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000101433461 557285453 /nfs/dbraw/zinc/28/54/53/557285453.db2.gz VJHKNBKSARUQMQ-KMRXNPHXSA-N 0 0 440.518 6.704 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000014029406 557285759 /nfs/dbraw/zinc/28/57/59/557285759.db2.gz PODJMARNHOUDBE-UHFFFAOYSA-N 0 0 430.573 7.093 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 ZINC000000830157 557287050 /nfs/dbraw/zinc/28/70/50/557287050.db2.gz QETCNKZVXMYMJH-UHFFFAOYSA-N 0 0 428.879 5.488 50 0 IKAARN Cc1ccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 ZINC000101489055 557287973 /nfs/dbraw/zinc/28/79/73/557287973.db2.gz IIRONCHCTATDJY-UHFFFAOYSA-N 0 0 427.891 5.942 50 0 IKAARN Fc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccc(Cl)cc1 ZINC000101488874 557288018 /nfs/dbraw/zinc/28/80/18/557288018.db2.gz RONQUBVEGAKJOK-UHFFFAOYSA-N 0 0 431.854 5.773 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1 ZINC000101489290 557288264 /nfs/dbraw/zinc/28/82/64/557288264.db2.gz NPXCZFWVCFDBMF-UHFFFAOYSA-N 0 0 439.515 5.667 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccc(OC)c(OC)c4)nnc-3c3ccccc32)c1 ZINC000101489307 557288311 /nfs/dbraw/zinc/28/83/11/557288311.db2.gz ZUOATHOBSLIUSO-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN CC(=O)Nc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101500599 557289540 /nfs/dbraw/zinc/28/95/40/557289540.db2.gz MFWXTHKWYPJOKL-NRFANRHFSA-N 0 0 442.519 5.386 50 0 IKAARN CC(=O)Nc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000101500597 557289564 /nfs/dbraw/zinc/28/95/64/557289564.db2.gz LVUAMUMQPLNJMS-HXOBKFHXSA-N 0 0 429.476 5.255 50 0 IKAARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000101472946 557290557 /nfs/dbraw/zinc/29/05/57/557290557.db2.gz XEVKWAVTQJYFCZ-NGOKVRLYSA-N 0 0 440.562 7.752 50 0 IKAARN O=C1Nc2ccc(Cl)cc2[C@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 ZINC000101494009 557293150 /nfs/dbraw/zinc/29/31/50/557293150.db2.gz LBKJOPAQNVIGJN-JOCHJYFZSA-N 0 0 443.330 6.539 50 0 IKAARN COc1ccc(CCn2c(-c3ccccc3)cs/c2=N/C(=O)c2ccccc2)cc1OC ZINC000101485855 557293259 /nfs/dbraw/zinc/29/32/59/557293259.db2.gz IRNKHLXHWYWHMU-CYYJNZCTSA-N 0 0 444.556 5.218 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000014061726 557294528 /nfs/dbraw/zinc/29/45/28/557294528.db2.gz DEUCBHWNEOJKBR-UHFFFAOYSA-N 0 0 449.601 5.763 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101886596 557296195 /nfs/dbraw/zinc/29/61/95/557296195.db2.gz AYMQJCUBXGBAEU-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000013115681 557296460 /nfs/dbraw/zinc/29/64/60/557296460.db2.gz SAYOHNMGOLKEES-UHFFFAOYSA-N 0 0 432.911 5.837 50 0 IKAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)c1 ZINC000014071381 557298072 /nfs/dbraw/zinc/29/80/72/557298072.db2.gz TZWBNZMAPTWEHG-UHFFFAOYSA-N 0 0 434.920 5.581 50 0 IKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1Br ZINC000049005537 557298545 /nfs/dbraw/zinc/29/85/45/557298545.db2.gz MCEADJDBYKCEFW-UHFFFAOYSA-N 0 0 427.346 5.235 50 0 IKAARN Cc1noc(-c2ccncc2)c1C(=O)N1CCC[C@@H](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000023324269 557298912 /nfs/dbraw/zinc/29/89/12/557298912.db2.gz MPGKPWOFFLDJIP-NRFANRHFSA-N 0 0 431.580 5.828 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)CCc4ccccc4)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000101835286 557301589 /nfs/dbraw/zinc/30/15/89/557301589.db2.gz IBEYNWHWOVMVQN-XMMPIXPASA-N 0 0 435.531 5.214 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4F)nn3[C@H](c3ccccc3)C2)cc1 ZINC000101835361 557301944 /nfs/dbraw/zinc/30/19/44/557301944.db2.gz JGVSETDNPBBLGV-QFIPXVFZSA-N 0 0 425.467 5.034 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836337 557302682 /nfs/dbraw/zinc/30/26/82/557302682.db2.gz YEQUNMMVWQWOOY-JOCHJYFZSA-N 0 0 425.467 5.034 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000102475951 557302712 /nfs/dbraw/zinc/30/27/12/557302712.db2.gz ZFZYIBJMDUUYFX-QLXKLKPCSA-N 0 0 430.935 6.978 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000102475957 557302735 /nfs/dbraw/zinc/30/27/35/557302735.db2.gz ZFZYIBJMDUUYFX-MRDQGFSESA-N 0 0 430.935 6.978 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(C)c4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836415 557302908 /nfs/dbraw/zinc/30/29/08/557302908.db2.gz UEDXJCMYLYKDFQ-QHCPKHFHSA-N 0 0 439.494 5.342 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccs4)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836446 557303005 /nfs/dbraw/zinc/30/30/05/557303005.db2.gz XFAINTNZTASONW-LJQANCHMSA-N 0 0 431.496 5.095 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 ZINC000102486230 557303085 /nfs/dbraw/zinc/30/30/85/557303085.db2.gz AZJDBVZMSCDYJU-WINIVTDRSA-N 0 0 426.516 6.333 50 0 IKAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101836744 557303203 /nfs/dbraw/zinc/30/32/03/557303203.db2.gz GENNMEWZSVBGGY-GOSISDBHSA-N 0 0 428.323 5.380 50 0 IKAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2Cl)CC(c2ccccc2)=N3)c1 ZINC000101836654 557303210 /nfs/dbraw/zinc/30/32/10/557303210.db2.gz MYTQPGJTKXKUOP-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000101836926 557303268 /nfs/dbraw/zinc/30/32/68/557303268.db2.gz MCEXITGFTFXHCV-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1ccc(Cl)cc1Cl ZINC000084459765 557303321 /nfs/dbraw/zinc/30/33/21/557303321.db2.gz DWXRQMRAQORODI-MDZDMXLPSA-N 0 0 433.364 5.471 50 0 IKAARN CC(=O)c1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000101916241 557303660 /nfs/dbraw/zinc/30/36/60/557303660.db2.gz BWPVNXYYSUNSFF-UHFFFAOYSA-N 0 0 439.515 5.002 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)cc1 ZINC000101916225 557303681 /nfs/dbraw/zinc/30/36/81/557303681.db2.gz APNHPSZOJLGEOB-UHFFFAOYSA-N 0 0 445.950 5.707 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Cl ZINC000101856667 557303699 /nfs/dbraw/zinc/30/36/99/557303699.db2.gz WSAOULWRFQKYMU-DEOSSOPVSA-N 0 0 445.006 6.637 50 0 IKAARN CCOc1cc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)ccc1O ZINC000102576126 557304176 /nfs/dbraw/zinc/30/41/76/557304176.db2.gz CCHJXOIHTGYFCU-JOCHJYFZSA-N 0 0 448.548 5.346 50 0 IKAARN CC(C)c1cccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c1 ZINC000101880829 557304933 /nfs/dbraw/zinc/30/49/33/557304933.db2.gz KDZWZXUICDNUSN-UHFFFAOYSA-N 0 0 446.938 5.355 50 0 IKAARN Cc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101968729 557306626 /nfs/dbraw/zinc/30/66/26/557306626.db2.gz YBCRJLWGVSLVSL-XMMPIXPASA-N 0 0 440.934 6.153 50 0 IKAARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000014128716 557307836 /nfs/dbraw/zinc/30/78/36/557307836.db2.gz XQTAYNPIVGOWBH-MRXNPFEDSA-N 0 0 447.516 5.657 50 0 IKAARN O=C(CN1CCC[C@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014129749 557308205 /nfs/dbraw/zinc/30/82/05/557308205.db2.gz RQWRIEHNSGOXPR-FQEVSTJZSA-N 0 0 437.634 5.454 50 0 IKAARN O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1cc(F)cc(C(F)(F)F)c1 ZINC000023325682 557308320 /nfs/dbraw/zinc/30/83/20/557308320.db2.gz OSSIYMWVBCFIAN-HXUWFJFHSA-N 0 0 431.385 5.370 50 0 IKAARN CCc1cccc(C)c1NC(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O ZINC000101947709 557308334 /nfs/dbraw/zinc/30/83/34/557308334.db2.gz WKICGNGZZBCKQK-UHFFFAOYSA-N 0 0 445.588 5.732 50 0 IKAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c(C)c1 ZINC000101948094 557308640 /nfs/dbraw/zinc/30/86/40/557308640.db2.gz ZLNYIUBUNVLJPX-UHFFFAOYSA-N 0 0 431.561 5.478 50 0 IKAARN CCc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1 ZINC000101947930 557308684 /nfs/dbraw/zinc/30/86/84/557308684.db2.gz PBHXRUVUCXRVKD-UHFFFAOYSA-N 0 0 431.561 5.424 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N(Cc1ccco1)C1=CCCCC1 ZINC000014140547 557310147 /nfs/dbraw/zinc/31/01/47/557310147.db2.gz DEXNVKYHCFVVLE-UHFFFAOYSA-N 0 0 440.594 5.513 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1c(F)cccc1F ZINC000014141950 557310493 /nfs/dbraw/zinc/31/04/93/557310493.db2.gz MUWYKSKZEKBFSR-UHFFFAOYSA-N 0 0 433.911 5.967 50 0 IKAARN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023326203 557310930 /nfs/dbraw/zinc/31/09/30/557310930.db2.gz JNLIOHUENMPJEM-UHFFFAOYSA-N 0 0 430.596 5.996 50 0 IKAARN CC(C)C(=O)N1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1 ZINC000023326318 557311308 /nfs/dbraw/zinc/31/13/08/557311308.db2.gz BVFPWDXCEXWWNO-UHFFFAOYSA-N 0 0 428.498 6.070 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCCN(C(=O)c3ccccc3Cl)CC1)=N2 ZINC000103056680 557312461 /nfs/dbraw/zinc/31/24/61/557312461.db2.gz ORPZWUZFAVQOCW-UHFFFAOYSA-N 0 0 445.950 5.681 50 0 IKAARN Cc1nnc(COC(=O)c2c3ccccc3nc3c2C[C@H](C)C/C3=C\c2ccccc2)o1 ZINC000102073529 557312633 /nfs/dbraw/zinc/31/26/33/557312633.db2.gz LZRZZMSPYLIRHU-NISQSXRWSA-N 0 0 425.488 5.406 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1OCc1ccccc1 ZINC000102153534 557313738 /nfs/dbraw/zinc/31/37/38/557313738.db2.gz RFVQVSJVUBIIBK-JOCHJYFZSA-N 0 0 444.922 5.575 50 0 IKAARN CC[C@@H](C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000023327727 557313936 /nfs/dbraw/zinc/31/39/36/557313936.db2.gz GEPUTQZHGZGHBR-CLJLJLNGSA-N 0 0 432.995 5.767 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)[C@H]1C ZINC000102207406 557314062 /nfs/dbraw/zinc/31/40/62/557314062.db2.gz SOJJWOFKQNSRPW-LLGFUMIMSA-N 0 0 429.944 5.017 50 0 IKAARN Cc1sc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)n(C(C)C)c(=O)c2c1C ZINC000014183582 557314179 /nfs/dbraw/zinc/31/41/79/557314179.db2.gz RINJNFGSCBLYRJ-GFCCVEGCSA-N 0 0 432.596 5.621 50 0 IKAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21 ZINC000102188460 557314700 /nfs/dbraw/zinc/31/47/00/557314700.db2.gz CYEKNJZMUKWCPH-LWSSLDFYSA-N 0 0 430.891 5.236 50 0 IKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(Br)c(C)c1 ZINC000102201086 557314869 /nfs/dbraw/zinc/31/48/69/557314869.db2.gz CEHZAOXFKYTJHC-UHFFFAOYSA-N 0 0 430.302 5.330 50 0 IKAARN COc1cccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023328023 557314931 /nfs/dbraw/zinc/31/49/31/557314931.db2.gz NIQMMKFOCPQSIN-DEOSSOPVSA-N 0 0 435.955 5.288 50 0 IKAARN CCOc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000102201438 557314925 /nfs/dbraw/zinc/31/49/25/557314925.db2.gz RRXMKNKHXKVSHM-UHFFFAOYSA-N 0 0 429.476 5.448 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000032753163 557315023 /nfs/dbraw/zinc/31/50/23/557315023.db2.gz KLXSJQANHHGLKE-FMIVXFBMSA-N 0 0 426.925 5.687 50 0 IKAARN Cc1cc(NC(=O)[C@H](SCc2cc(-c3ccc(Cl)cc3)no2)c2ccccc2)no1 ZINC000032779145 557315924 /nfs/dbraw/zinc/31/59/24/557315924.db2.gz SBDZMNFFWMFRLT-OAQYLSRUSA-N 0 0 439.924 5.905 50 0 IKAARN FC(F)(F)c1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000102300296 557315998 /nfs/dbraw/zinc/31/59/98/557315998.db2.gz YRPMBMULHYKEDX-CQSZACIVSA-N 0 0 445.659 6.313 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1ccc(F)c(Cl)c1 ZINC000102300815 557316002 /nfs/dbraw/zinc/31/60/02/557316002.db2.gz QBYVCQQQFCUMBW-UHFFFAOYSA-N 0 0 427.888 5.037 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1ccccc1C(F)(F)F ZINC000102300773 557316019 /nfs/dbraw/zinc/31/60/19/557316019.db2.gz ZUQZYWVWGWNQHZ-UHFFFAOYSA-N 0 0 443.450 5.263 50 0 IKAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032801696 557316221 /nfs/dbraw/zinc/31/62/21/557316221.db2.gz GTGJPUFGBVXCPC-HNNXBMFYSA-N 0 0 437.421 5.282 50 0 IKAARN Cc1ccc(C(C)C)c(OCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1 ZINC000011667272 557316240 /nfs/dbraw/zinc/31/62/40/557316240.db2.gz XAINTRUAHCNPFA-LJQANCHMSA-N 0 0 431.536 5.631 50 0 IKAARN CC1=CC[C@H]([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)[C@@H](C)C1 ZINC000103557461 557316505 /nfs/dbraw/zinc/31/65/05/557316505.db2.gz MNRDRZYDKZQMKN-LTMIRXACSA-N 0 0 430.577 5.954 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)c2)cs1 ZINC000014200112 557316977 /nfs/dbraw/zinc/31/69/77/557316977.db2.gz JPJNJRPGNYEFHQ-UHFFFAOYSA-N 0 0 427.529 5.154 50 0 IKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000032903358 557317167 /nfs/dbraw/zinc/31/71/67/557317167.db2.gz WWTJRLOUVLHWRR-UHFFFAOYSA-N 0 0 432.430 5.512 50 0 IKAARN Cc1ccc(OCCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)cc1C ZINC000011667344 557318535 /nfs/dbraw/zinc/31/85/35/557318535.db2.gz GVYBZOPFVMTFEF-HXUWFJFHSA-N 0 0 431.536 5.596 50 0 IKAARN COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCCC2=CCCCC2)c1 ZINC000032975069 557319990 /nfs/dbraw/zinc/31/99/90/557319990.db2.gz ZEDWFSTWWYLDGW-UHFFFAOYSA-N 0 0 447.554 5.626 50 0 IKAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2c1 ZINC000032953389 557320582 /nfs/dbraw/zinc/32/05/82/557320582.db2.gz ZGZJDNOZJYBKJE-UHFFFAOYSA-N 0 0 436.559 5.184 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)Nc3ccccc3Br)ccc2n1 ZINC000032953952 557320687 /nfs/dbraw/zinc/32/06/87/557320687.db2.gz PKKKBTDALURUIE-UHFFFAOYSA-N 0 0 427.346 5.796 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000033009324 557320788 /nfs/dbraw/zinc/32/07/88/557320788.db2.gz PEDPYZQPYNYRFZ-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN CCn1c(CCc2ccccc2NC(=O)Cc2c(F)cccc2Cl)nc2ccccc21 ZINC000033019735 557320918 /nfs/dbraw/zinc/32/09/18/557320918.db2.gz RTRPNDXIEPUZNC-UHFFFAOYSA-N 0 0 435.930 5.815 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)ncn2)c1 ZINC000033010473 557320989 /nfs/dbraw/zinc/32/09/89/557320989.db2.gz VVIYGPXOCWEMEC-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)N[C@@H](C)CCc4ccccc4)c3)ncn2)c1 ZINC000033010495 557321067 /nfs/dbraw/zinc/32/10/67/557321067.db2.gz MZOYZGHFHLWGKT-NRFANRHFSA-N 0 0 436.559 5.947 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1Cl ZINC000033025119 557321410 /nfs/dbraw/zinc/32/14/10/557321410.db2.gz XRUZFPJGORPRPM-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1OC ZINC000102429886 557321968 /nfs/dbraw/zinc/32/19/68/557321968.db2.gz BKWADWSUHRLCSF-JOCHJYFZSA-N 0 0 448.548 5.259 50 0 IKAARN Cc1cc(C(=O)NCc2cccc(Br)c2)c2cccc(-c3ccccc3)c2n1 ZINC000033036736 557322445 /nfs/dbraw/zinc/32/24/45/557322445.db2.gz OLQKYJAVAHSLDS-UHFFFAOYSA-N 0 0 431.333 5.903 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCCCC4)c3)C2)cc1 ZINC000033035204 557322466 /nfs/dbraw/zinc/32/24/66/557322466.db2.gz CPQPNDZDBIIYEC-JOCHJYFZSA-N 0 0 435.568 5.123 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc(-c4ccc(Br)o4)n3)cc12 ZINC000033037414 557322776 /nfs/dbraw/zinc/32/27/76/557322776.db2.gz SQNSWLXDDIJBFU-UHFFFAOYSA-N 0 0 427.283 5.468 50 0 IKAARN COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000033043043 557322829 /nfs/dbraw/zinc/32/28/29/557322829.db2.gz PBRSTGHPECXIPU-OAHLLOKOSA-N 0 0 435.549 5.313 50 0 IKAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4cc(C)cc(C)c4)ccc3[nH]2)cc1 ZINC000033037466 557322878 /nfs/dbraw/zinc/32/28/78/557322878.db2.gz JONAWPYPSYCXGA-UHFFFAOYSA-N 0 0 426.520 5.176 50 0 IKAARN CC(C)CCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116008 557324146 /nfs/dbraw/zinc/32/41/46/557324146.db2.gz IXWNGAPXUMDNKU-IBGZPJMESA-N 0 0 447.579 5.145 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)c(C)c1 ZINC000033126807 557324702 /nfs/dbraw/zinc/32/47/02/557324702.db2.gz LDHSKXNKKNSNCP-UHFFFAOYSA-N 0 0 428.532 5.349 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1 ZINC000033130384 557325221 /nfs/dbraw/zinc/32/52/21/557325221.db2.gz IIHBBMUKALHSQC-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1OC ZINC000033267741 557328275 /nfs/dbraw/zinc/32/82/75/557328275.db2.gz AXWIUHJCLCFCHE-FQEVSTJZSA-N 0 0 433.483 5.278 50 0 IKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1ccccc1Cl ZINC000033267964 557328337 /nfs/dbraw/zinc/32/83/37/557328337.db2.gz XPXFDKFVYCFOKI-UHFFFAOYSA-N 0 0 441.021 6.789 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3cc(OC)ccc3Br)sc2C)cc1 ZINC000014242345 557329013 /nfs/dbraw/zinc/32/90/13/557329013.db2.gz ZFQBICQLWMAZNT-UHFFFAOYSA-N 0 0 433.327 5.151 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc21 ZINC000033278595 557329106 /nfs/dbraw/zinc/32/91/06/557329106.db2.gz DJHHFYJPVMUUFF-UHFFFAOYSA-N 0 0 449.913 7.045 50 0 IKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000000834414 557329264 /nfs/dbraw/zinc/32/92/64/557329264.db2.gz DSFQNOSQYVRWMF-UHFFFAOYSA-N 0 0 435.545 6.195 50 0 aggregator IKAARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1csc(-c2cccs2)n1 ZINC000014253283 557330126 /nfs/dbraw/zinc/33/01/26/557330126.db2.gz BPOVFZPXSMNVSQ-UHFFFAOYSA-N 0 0 436.400 5.013 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2c(Br)cccc12 ZINC000000834929 557330195 /nfs/dbraw/zinc/33/01/95/557330195.db2.gz AFKRCSDKLXIMBV-UHFFFAOYSA-N 0 0 442.316 6.398 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000102481044 557330594 /nfs/dbraw/zinc/33/05/94/557330594.db2.gz CUXOBOVWMVSPFU-NGOKVRLYSA-N 0 0 440.518 6.786 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(C(=O)N3CCCCC3)cc2)nc1)c1cccc(Cl)c1 ZINC000033281377 557331545 /nfs/dbraw/zinc/33/15/45/557331545.db2.gz XODJUWWVLFGKMF-UHFFFAOYSA-N 0 0 435.911 5.406 50 0 IKAARN COc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)c(Cl)c2)c1 ZINC000033289257 557332292 /nfs/dbraw/zinc/33/22/92/557332292.db2.gz VVCPHOJWVWTQEB-UHFFFAOYSA-N 0 0 444.965 5.735 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000033312604 557332626 /nfs/dbraw/zinc/33/26/26/557332626.db2.gz BNOCMDRGEXMQCX-UHFFFAOYSA-N 0 0 434.487 5.570 50 0 IKAARN COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4Cl)n3)c2)cc1 ZINC000033327293 557333206 /nfs/dbraw/zinc/33/32/06/557333206.db2.gz CHPWAZQHQZXPCL-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1c(Cl)cc(Cl)cc1/C=C\C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000033306985 557333587 /nfs/dbraw/zinc/33/35/87/557333587.db2.gz HLJDVYQNSWWQFP-WTKPLQERSA-N 0 0 447.343 5.968 50 0 IKAARN COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000033405882 557334475 /nfs/dbraw/zinc/33/44/75/557334475.db2.gz ZBDBJIKHVGTXCW-XJOSSZSMSA-N 0 0 442.515 5.734 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000222233940 557334761 /nfs/dbraw/zinc/33/47/61/557334761.db2.gz CGGJPQBOGMMGRQ-GFQSEFKGSA-N 0 0 446.926 5.661 50 0 IKAARN Cc1cccc(NC(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000033502936 557335823 /nfs/dbraw/zinc/33/58/23/557335823.db2.gz CXIZULRLLGZTJI-PXLXIMEGSA-N 0 0 445.519 5.250 50 0 IKAARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000014360667 557336253 /nfs/dbraw/zinc/33/62/53/557336253.db2.gz QXNIWHIAMIAQCH-UHFFFAOYSA-N 0 0 427.456 5.436 50 0 IKAARN Oc1c(-c2ccccn2)cc2ccccc2c1-c1c(O)c(-c2ccccn2)cc2ccccc21 ZINC000107502127 557336885 /nfs/dbraw/zinc/33/68/85/557336885.db2.gz XSBMCSCMQZOZOJ-UHFFFAOYSA-N 0 0 440.502 7.195 50 0 IKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3cccc4nccnc43)C2)cc1 ZINC000072314558 557337600 /nfs/dbraw/zinc/33/76/00/557337600.db2.gz QUNOUTVJOCJPCO-QHCPKHFHSA-N 0 0 439.544 5.187 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccc1)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000263621508 557337819 /nfs/dbraw/zinc/33/78/19/557337819.db2.gz CFNNBDMQWZZTNH-KWFYOPHTSA-N 0 0 449.616 8.161 50 0 IKAARN CC1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)CC1 ZINC000023328582 557338115 /nfs/dbraw/zinc/33/81/15/557338115.db2.gz FCWZIRFGUXJDKG-UHFFFAOYSA-N 0 0 428.580 5.606 50 0 IKAARN Nc1c(C(=O)c2ccc3ccccc3c2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 ZINC000257173642 557338135 /nfs/dbraw/zinc/33/81/35/557338135.db2.gz TZBXKAPQRIPOFL-UHFFFAOYSA-N 0 0 426.463 6.160 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n2CCCOC(C)C ZINC000023329101 557338407 /nfs/dbraw/zinc/33/84/07/557338407.db2.gz NZYGYGSAVFNBAX-UHFFFAOYSA-N 0 0 430.545 5.460 50 0 IKAARN CCCC(=O)Nc1c2ccn(Cc3ccc(F)cc3)c2ccc1OC(=O)N(CC)CC ZINC000023329113 557338688 /nfs/dbraw/zinc/33/86/88/557338688.db2.gz KUGYGQAKEMGWRR-UHFFFAOYSA-N 0 0 425.504 5.408 50 0 IKAARN CCC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000023329229 557339128 /nfs/dbraw/zinc/33/91/28/557339128.db2.gz IXVHZESPJJZTRX-UHFFFAOYSA-N 0 0 428.573 5.563 50 0 IKAARN O=C(c1ccc(F)c(F)c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023329562 557339346 /nfs/dbraw/zinc/33/93/46/557339346.db2.gz JPUJOAYPPFSHFM-HSZRJFAPSA-N 0 0 426.894 5.166 50 0 IKAARN COc1cccc(-n2c(/C=C\c3ccc(Br)cc3)nc3ccccc3c2=O)c1 ZINC000033414202 557339389 /nfs/dbraw/zinc/33/93/89/557339389.db2.gz OKUNMLTXEGNANW-KAMYIIQDSA-N 0 0 433.305 5.327 50 0 IKAARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 ZINC000023329955 557340070 /nfs/dbraw/zinc/34/00/70/557340070.db2.gz IZJGNJUZUMROJS-IBGZPJMESA-N 0 0 447.579 5.098 50 0 IKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000023329941 557340087 /nfs/dbraw/zinc/34/00/87/557340087.db2.gz LPDBANGMNJRBFE-UHFFFAOYSA-N 0 0 428.454 5.764 50 0 IKAARN CN(C(=O)Nc1ccc(Cl)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000263640119 557340247 /nfs/dbraw/zinc/34/02/47/557340247.db2.gz YHNVZOAEZMNRRK-UHFFFAOYSA-N 0 0 447.288 5.540 50 0 IKAARN COc1ccc(CC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1OC ZINC000024969141 557340275 /nfs/dbraw/zinc/34/02/75/557340275.db2.gz MYRIDXDYIRRNJL-UHFFFAOYSA-N 0 0 437.348 5.239 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000102529303 557340448 /nfs/dbraw/zinc/34/04/48/557340448.db2.gz IOBPLNWWLJRVHR-UHFFFAOYSA-N 0 0 447.922 5.153 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O ZINC000102529861 557340971 /nfs/dbraw/zinc/34/09/71/557340971.db2.gz KHPHFPBULPFYMR-UHFFFAOYSA-N 0 0 435.886 5.284 50 0 IKAARN CCCCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023330690 557341193 /nfs/dbraw/zinc/34/11/93/557341193.db2.gz GRLQCQGCYDIBMA-UHFFFAOYSA-N 0 0 447.644 6.340 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(F)ccc3F)C(=O)C2)cc1C ZINC000102530054 557341486 /nfs/dbraw/zinc/34/14/86/557341486.db2.gz YZECJPBBVKQSFV-UHFFFAOYSA-N 0 0 433.458 5.078 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1C ZINC000102530130 557341494 /nfs/dbraw/zinc/34/14/94/557341494.db2.gz YHMGVFCGYKSSKK-UHFFFAOYSA-N 0 0 429.495 5.247 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3F)C(=O)C2)cc1 ZINC000102530764 557342836 /nfs/dbraw/zinc/34/28/36/557342836.db2.gz BXCKBYNLAARDMZ-UHFFFAOYSA-N 0 0 433.458 5.023 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(F)ccc3F)C(=O)C2)cc1 ZINC000102530768 557342891 /nfs/dbraw/zinc/34/28/91/557342891.db2.gz NVCFKGPYEUXZQM-UHFFFAOYSA-N 0 0 433.458 5.023 50 0 IKAARN CCOc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(CC)cc2)CC1=O ZINC000102530776 557342896 /nfs/dbraw/zinc/34/28/96/557342896.db2.gz PHWJPULYYSKQBS-UHFFFAOYSA-N 0 0 441.531 5.144 50 0 IKAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)cc1 ZINC000102531045 557343073 /nfs/dbraw/zinc/34/30/73/557343073.db2.gz KTZJSTDJYZWFAH-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000102530894 557343084 /nfs/dbraw/zinc/34/30/84/557343084.db2.gz FBSBXTROIMILPZ-UHFFFAOYSA-N 0 0 445.950 5.076 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C)c3C)C(=O)C2)c(C)c1 ZINC000102531011 557343088 /nfs/dbraw/zinc/34/30/88/557343088.db2.gz JFVDFYHBCRNBQN-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(F)c3)C(=O)C2)c(C)c1 ZINC000102531084 557343148 /nfs/dbraw/zinc/34/31/48/557343148.db2.gz WGJZDWQWKMSKIS-UHFFFAOYSA-N 0 0 433.458 5.078 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)C2)c(C)c1 ZINC000102531101 557343154 /nfs/dbraw/zinc/34/31/54/557343154.db2.gz BHAVXTOCDMNWSU-UHFFFAOYSA-N 0 0 439.559 5.923 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)cc2)cc1 ZINC000023331806 557343766 /nfs/dbraw/zinc/34/37/66/557343766.db2.gz LARFZMQYMAEDRH-OFVILXPXSA-N 0 0 443.635 6.827 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023331812 557343937 /nfs/dbraw/zinc/34/39/37/557343937.db2.gz ORJQQQUMZBELKD-QHCPKHFHSA-N 0 0 426.894 5.166 50 0 IKAARN CC[C@@H](C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023331273 557344221 /nfs/dbraw/zinc/34/42/21/557344221.db2.gz KOQKERIPOWOKEV-RUZDIDTESA-N 0 0 434.530 5.392 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)c(C)c1Cc1ccccc1 ZINC000014609274 557345139 /nfs/dbraw/zinc/34/51/39/557345139.db2.gz UJGZGFKRVOSDAV-UHFFFAOYSA-N 0 0 436.968 5.371 50 0 IKAARN CCc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(Cc3ccccc3)c2C)n1 ZINC000014609280 557345143 /nfs/dbraw/zinc/34/51/43/557345143.db2.gz SGBIWCCCDZXEGP-UHFFFAOYSA-N 0 0 430.577 5.280 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023333663 557347687 /nfs/dbraw/zinc/34/76/87/557347687.db2.gz XRVMPUOMFGLGDB-RUZDIDTESA-N 0 0 449.982 5.678 50 0 IKAARN O=C(CCC1CCCC1)Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000023333756 557347709 /nfs/dbraw/zinc/34/77/09/557347709.db2.gz MLFPRMYVJYBCCA-UHFFFAOYSA-N 0 0 428.532 6.096 50 0 IKAARN COc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000023333782 557347731 /nfs/dbraw/zinc/34/77/31/557347731.db2.gz HLVRVWQXIQGYNA-RUZDIDTESA-N 0 0 449.982 5.596 50 0 IKAARN CC(=O)c1cccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023333796 557347939 /nfs/dbraw/zinc/34/79/39/557347939.db2.gz BKPFZPOTVASDMJ-VWLOTQADSA-N 0 0 447.966 5.482 50 0 IKAARN O=C(c1ccc(F)cc1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023334150 557347950 /nfs/dbraw/zinc/34/79/50/557347950.db2.gz HBHPJMNYONQRLB-UHFFFAOYSA-N 0 0 443.349 5.680 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023334201 557347976 /nfs/dbraw/zinc/34/79/76/557347976.db2.gz WEQVFKSFZWRZDD-DEOSSOPVSA-N 0 0 438.493 5.561 50 0 IKAARN Clc1ccc(Cc2nc(CSc3c(Cl)cccc3Cl)cs2)cc1Cl ZINC000023334128 557347992 /nfs/dbraw/zinc/34/79/92/557347992.db2.gz XCEQVNRQTZBQNE-UHFFFAOYSA-N 0 0 435.228 7.640 50 0 IKAARN Cc1ccc(F)c(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1F ZINC000023335629 557348282 /nfs/dbraw/zinc/34/82/82/557348282.db2.gz AFZMOXIFSIFNGU-XMMPIXPASA-N 0 0 440.921 5.474 50 0 IKAARN COc1ccc(-c2onc3c2CCc2ccccc2-3)cc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000023336072 557348582 /nfs/dbraw/zinc/34/85/82/557348582.db2.gz BQDFMTXFBPBKKC-QGZVFWFLSA-N 0 0 432.564 6.517 50 0 IKAARN CCCC(CCC)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023336404 557348818 /nfs/dbraw/zinc/34/88/18/557348818.db2.gz ISRYJZMOOXOAMO-UHFFFAOYSA-N 0 0 445.485 6.137 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023336113 557348875 /nfs/dbraw/zinc/34/88/75/557348875.db2.gz UTQUPTPDIIYTMF-HSZRJFAPSA-N 0 0 442.456 5.392 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023334611 557349351 /nfs/dbraw/zinc/34/93/51/557349351.db2.gz UHDZXGOMTLCGQY-RUZDIDTESA-N 0 0 449.982 5.596 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NC3CCC(C(C)(C)C)CC3)c3ccccc3n2)cc1 ZINC000023334561 557349412 /nfs/dbraw/zinc/34/94/12/557349412.db2.gz LNOZLKWQJABAOA-UHFFFAOYSA-N 0 0 430.592 6.635 50 0 IKAARN CCCCC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023334928 557349749 /nfs/dbraw/zinc/34/97/49/557349749.db2.gz NDHKHTZALXZFLK-QGZVFWFLSA-N 0 0 429.486 6.257 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023334662 557349755 /nfs/dbraw/zinc/34/97/55/557349755.db2.gz STIDEINAAALVAX-NRFANRHFSA-N 0 0 430.596 5.552 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)c1 ZINC000023334776 557349759 /nfs/dbraw/zinc/34/97/59/557349759.db2.gz GLEWSZLBHICJBW-GOSISDBHSA-N 0 0 437.588 5.474 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023335156 557349927 /nfs/dbraw/zinc/34/99/27/557349927.db2.gz ITWJRYNCQWHFIM-QHCPKHFHSA-N 0 0 442.456 5.392 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(OC)c(F)c1 ZINC000023335115 557349989 /nfs/dbraw/zinc/34/99/89/557349989.db2.gz WGWNTNZISVDREF-UHFFFAOYSA-N 0 0 446.544 5.080 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023335157 557349997 /nfs/dbraw/zinc/34/99/97/557349997.db2.gz ITWJRYNCQWHFIM-HSZRJFAPSA-N 0 0 442.456 5.392 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023335326 557350302 /nfs/dbraw/zinc/35/03/02/557350302.db2.gz CDYZSCPKLVMTTD-VQIMIIECSA-N 0 0 435.572 5.299 50 0 IKAARN C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000110518619 557353194 /nfs/dbraw/zinc/35/31/94/557353194.db2.gz MZIWRSXHNVMYEY-APRZANMYSA-N 0 0 439.650 5.665 50 0 IKAARN Cc1ccc(F)c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1F ZINC000023424382 557353207 /nfs/dbraw/zinc/35/32/07/557353207.db2.gz TXAODXKAFIJTBZ-UHFFFAOYSA-N 0 0 442.456 5.099 50 0 IKAARN CCCn1cc(C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)c2ccccc21 ZINC000023424591 557353356 /nfs/dbraw/zinc/35/33/56/557353356.db2.gz NHAAIBPRWZEGEB-UHFFFAOYSA-N 0 0 447.000 5.282 50 0 IKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCCc1cccc(Cl)c1 ZINC000023425325 557353504 /nfs/dbraw/zinc/35/35/04/557353504.db2.gz WJKZSZQBOPJYJT-UHFFFAOYSA-N 0 0 449.860 5.647 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000023426952 557353713 /nfs/dbraw/zinc/35/37/13/557353713.db2.gz BBEOEDXTDODLPH-ICSRJNTNSA-N 0 0 447.579 5.501 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000023436539 557354248 /nfs/dbraw/zinc/35/42/48/557354248.db2.gz WZAMJRXPWOVSMT-HSZRJFAPSA-N 0 0 425.887 5.284 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccccc1C(F)(F)F ZINC000023437427 557354609 /nfs/dbraw/zinc/35/46/09/557354609.db2.gz FZSGLKMMPTWBNN-UHFFFAOYSA-N 0 0 433.451 5.787 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000023438181 557354621 /nfs/dbraw/zinc/35/46/21/557354621.db2.gz KCOYDARNMUEKMD-DEOSSOPVSA-N 0 0 436.939 5.845 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000023437168 557354643 /nfs/dbraw/zinc/35/46/43/557354643.db2.gz MMLGMQHCLPJOQI-KDURUIRLSA-N 0 0 445.563 5.143 50 0 IKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCc1cc(F)cc(F)c1 ZINC000023429016 557354807 /nfs/dbraw/zinc/35/48/07/557354807.db2.gz BXOTUBCLGQXEKH-UHFFFAOYSA-N 0 0 437.368 5.229 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC000023430065 557355199 /nfs/dbraw/zinc/35/51/99/557355199.db2.gz QFVSGTISACLRCS-RUZDIDTESA-N 0 0 432.520 5.282 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 ZINC000023430819 557355424 /nfs/dbraw/zinc/35/54/24/557355424.db2.gz JCDBFSWNUBUMKC-IBGZPJMESA-N 0 0 431.536 5.039 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C=C(C)C)[C@H]3c1cccc(C(F)(F)F)c1 ZINC000023430745 557355489 /nfs/dbraw/zinc/35/54/89/557355489.db2.gz IQUITMUIXNSWNX-QHCPKHFHSA-N 0 0 428.454 5.636 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n(-c2ccccc2Cl)n1 ZINC000023432775 557355646 /nfs/dbraw/zinc/35/56/46/557355646.db2.gz WCYOTEWYGJNYQD-UHFFFAOYSA-N 0 0 439.840 6.233 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc2c(c1)OCO2 ZINC000102584827 557355743 /nfs/dbraw/zinc/35/57/43/557355743.db2.gz MEOOCDYAVBRQEO-FQEVSTJZSA-N 0 0 429.476 5.157 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@H]3c1ccccc1OC ZINC000023433379 557355773 /nfs/dbraw/zinc/35/57/73/557355773.db2.gz ZENCZAPMEYUNEE-MYUZEXMDSA-N 0 0 448.607 6.122 50 0 IKAARN O=C(NCCSCc1ccco1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023433424 557355973 /nfs/dbraw/zinc/35/59/73/557355973.db2.gz OJHBGEKLYWWJMF-UHFFFAOYSA-N 0 0 437.952 5.653 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(CC)CC)c2)n(-c2ccccc2OC)n1 ZINC000023434469 557356047 /nfs/dbraw/zinc/35/60/47/557356047.db2.gz UWSIFAPZPGUSLN-UHFFFAOYSA-N 0 0 435.524 5.099 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000023434127 557356083 /nfs/dbraw/zinc/35/60/83/557356083.db2.gz FMHTUMXAKXJUDG-VWLOTQADSA-N 0 0 432.520 5.282 50 0 IKAARN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023449554 557356561 /nfs/dbraw/zinc/35/65/61/557356561.db2.gz ZIHSQLVDCACKLU-UHFFFAOYSA-N 0 0 436.342 6.289 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1ccc(F)cc1)CC2 ZINC000023449652 557356587 /nfs/dbraw/zinc/35/65/87/557356587.db2.gz IPRAWUHNCVRPSX-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN O=C(NCc1cccc(-c2nc(-c3ccc(F)cc3)c[nH]2)c1)c1cc(Cl)cc(Cl)c1 ZINC000023450959 557356797 /nfs/dbraw/zinc/35/67/97/557356797.db2.gz IMRPAFSDGYHWEE-UHFFFAOYSA-N 0 0 440.305 6.120 50 0 IKAARN O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000023450961 557356825 /nfs/dbraw/zinc/35/68/25/557356825.db2.gz LTOIPMFUXCYARJ-UHFFFAOYSA-N 0 0 440.930 6.189 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 ZINC000023450638 557356897 /nfs/dbraw/zinc/35/68/97/557356897.db2.gz YASVDSPKHCOYMF-UHFFFAOYSA-N 0 0 432.882 6.226 50 0 IKAARN O=C(COc1ccccc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023450751 557356917 /nfs/dbraw/zinc/35/69/17/557356917.db2.gz AYWYJDCZPOVJGK-UHFFFAOYSA-N 0 0 429.495 5.085 50 0 IKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3cccc(Cl)c3)nc2c1 ZINC000023451484 557357172 /nfs/dbraw/zinc/35/71/72/557357172.db2.gz PLKJTLNETJYGMY-UHFFFAOYSA-N 0 0 425.315 6.286 50 0 IKAARN Cc1ccc([C@H](C)C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023451000 557357185 /nfs/dbraw/zinc/35/71/85/557357185.db2.gz RWJIHNBDPVHZJY-QFIPXVFZSA-N 0 0 437.587 5.903 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccc(F)cc1)CC2 ZINC000023438774 557357348 /nfs/dbraw/zinc/35/73/48/557357348.db2.gz TVCUSZDHTBZTTN-QHCPKHFHSA-N 0 0 425.887 5.284 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1F)CC2 ZINC000023438821 557357391 /nfs/dbraw/zinc/35/73/91/557357391.db2.gz LPKBTVDSVOWOIO-HSZRJFAPSA-N 0 0 425.887 5.284 50 0 IKAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1)n2C1CCCC1)N1CCCC1 ZINC000023438398 557357410 /nfs/dbraw/zinc/35/74/10/557357410.db2.gz GOCMALOGQIEQLL-UHFFFAOYSA-N 0 0 441.622 5.228 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1F)n2C(C)C ZINC000023438405 557357437 /nfs/dbraw/zinc/35/74/37/557357437.db2.gz GCEQDXLTLCVAQF-UHFFFAOYSA-N 0 0 449.617 5.388 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccccc1C)CC2 ZINC000023439778 557357688 /nfs/dbraw/zinc/35/76/88/557357688.db2.gz PKFASUBUQCOEHP-XMMPIXPASA-N 0 0 436.939 5.845 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC3CCCC3)c2)n(-c2ccccc2OC)n1 ZINC000023440386 557357761 /nfs/dbraw/zinc/35/77/61/557357761.db2.gz BZHGBHGRNSCOAC-UHFFFAOYSA-N 0 0 447.535 5.243 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(-c2nc(-c3cccc(OC)c3)c[nH]2)cc1)c1ccccc1 ZINC000023441671 557357946 /nfs/dbraw/zinc/35/79/46/557357946.db2.gz BYGZFMCKORGZFK-XMMPIXPASA-N 0 0 425.532 5.562 50 0 IKAARN O=C(NCc1ccco1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023441496 557357975 /nfs/dbraw/zinc/35/79/75/557357975.db2.gz TXDXBCDBIQLUQX-UHFFFAOYSA-N 0 0 426.520 5.257 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)CCCOc2ccccc2)cc1 ZINC000023451950 557358280 /nfs/dbraw/zinc/35/82/80/557358280.db2.gz PZXUKXDCGDJPCC-UHFFFAOYSA-N 0 0 445.950 6.299 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000023442566 557358303 /nfs/dbraw/zinc/35/83/03/557358303.db2.gz JKJLGLKKSCTXEA-HSZRJFAPSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000023443910 557358461 /nfs/dbraw/zinc/35/84/61/557358461.db2.gz OUJOZQDOEQUMMY-QHCPKHFHSA-N 0 0 442.342 5.799 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1c(OC)cccc1OC ZINC000023445001 557358505 /nfs/dbraw/zinc/35/85/05/557358505.db2.gz PLDKFSRHATYBRV-HNNXBMFYSA-N 0 0 439.533 5.346 50 0 IKAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2Cl)cc1 ZINC000023444316 557358627 /nfs/dbraw/zinc/35/86/27/557358627.db2.gz DBDVAQGSRQUFGA-XMMPIXPASA-N 0 0 437.923 5.154 50 0 IKAARN CC[C@@H](C(=O)NCc1cccc(-c2nc(-c3cccc(OC)c3)c[nH]2)c1)c1ccccc1 ZINC000023445708 557358800 /nfs/dbraw/zinc/35/88/00/557358800.db2.gz NGQNOBORCZOSOK-XMMPIXPASA-N 0 0 425.532 5.562 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC000023446152 557358808 /nfs/dbraw/zinc/35/88/08/557358808.db2.gz CYBYLXJDYVITGD-SANMLTNESA-N 0 0 447.550 5.928 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(-c4cccc(OC)c4)[nH]n3)cc2)cc1 ZINC000023446645 557358939 /nfs/dbraw/zinc/35/89/39/557358939.db2.gz QGZLMCHRFZSJKI-KRWDZBQOSA-N 0 0 427.504 5.252 50 0 IKAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023446282 557358965 /nfs/dbraw/zinc/35/89/65/557358965.db2.gz DDDWFXZJVKAOBA-NRFANRHFSA-N 0 0 437.795 5.823 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023447435 557359173 /nfs/dbraw/zinc/35/91/73/557359173.db2.gz YGRGCXNJQSPLSU-LJQANCHMSA-N 0 0 429.951 5.944 50 0 IKAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000023447309 557359224 /nfs/dbraw/zinc/35/92/24/557359224.db2.gz DKBBRLJLVNWPFJ-UHFFFAOYSA-N 0 0 440.305 6.120 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccc(F)cc1F)CC2 ZINC000023447246 557359237 /nfs/dbraw/zinc/35/92/37/557359237.db2.gz XKEDIPVKUOUVDO-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1cc(C)oc1C)CC2 ZINC000023447977 557359431 /nfs/dbraw/zinc/35/94/31/557359431.db2.gz PIAHOLXJQBEPHG-QHCPKHFHSA-N 0 0 443.902 5.494 50 0 IKAARN COc1ccccc1-c1onc(C)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000023452175 557359602 /nfs/dbraw/zinc/35/96/02/557359602.db2.gz RGXVBEMVXXHSBJ-UHFFFAOYSA-N 0 0 426.516 5.611 50 0 IKAARN CN(Cc1cccc2ccccc21)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000023458105 557359605 /nfs/dbraw/zinc/35/96/05/557359605.db2.gz QIYSFTBJDKAOKE-UHFFFAOYSA-N 0 0 425.475 6.859 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N[C@H](C)Cc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000023458689 557359725 /nfs/dbraw/zinc/35/97/25/557359725.db2.gz GOFVHGWBUTYDMT-GOSISDBHSA-N 0 0 444.962 6.315 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000023458813 557359816 /nfs/dbraw/zinc/35/98/16/557359816.db2.gz CLPHDXXKHXLMAK-UHFFFAOYSA-N 0 0 428.967 5.894 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cccnc2)n1 ZINC000102625315 557359988 /nfs/dbraw/zinc/35/99/88/557359988.db2.gz DATGARPAGHMVFF-UUOWRZLLSA-N 0 0 440.503 5.219 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n2Cc1ccccn1 ZINC000023459197 557360014 /nfs/dbraw/zinc/36/00/14/557360014.db2.gz PMFPHJLEYQRGRL-UHFFFAOYSA-N 0 0 437.952 5.602 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1Cl)n2Cc1ccco1 ZINC000023459550 557360057 /nfs/dbraw/zinc/36/00/57/557360057.db2.gz BBSLUXQVIQNDPU-UHFFFAOYSA-N 0 0 444.915 5.939 50 0 IKAARN O=C(Cc1cc(F)cc(F)c1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023459863 557360173 /nfs/dbraw/zinc/36/01/73/557360173.db2.gz NKYSPLCYYXCOGQ-UHFFFAOYSA-N 0 0 449.476 5.527 50 0 IKAARN O=C(c1cccc(F)c1F)N(Cc1nc2cc(Cl)ccc2o1)Cc1cccc(Cl)c1 ZINC000023459914 557360274 /nfs/dbraw/zinc/36/02/74/557360274.db2.gz YWMMIDIGGCUIBY-UHFFFAOYSA-N 0 0 447.268 6.255 50 0 IKAARN O=C(NCc1cccs1)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023460089 557360391 /nfs/dbraw/zinc/36/03/91/557360391.db2.gz UEZVLMSMPGXRPN-UHFFFAOYSA-N 0 0 427.451 5.550 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1cc(Cl)ccc1F ZINC000023460671 557360628 /nfs/dbraw/zinc/36/06/28/557360628.db2.gz DAVAUWIFJYITMZ-UHFFFAOYSA-N 0 0 426.278 6.238 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(F)ccc1F)n2Cc1ccccc1 ZINC000023460837 557360635 /nfs/dbraw/zinc/36/06/35/557360635.db2.gz FCGZZHSIXYNYMD-UHFFFAOYSA-N 0 0 438.499 5.832 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(F)ccc1C)n2Cc1ccccn1 ZINC000023460610 557360741 /nfs/dbraw/zinc/36/07/41/557360741.db2.gz YOSCLIRVRBNNHZ-UHFFFAOYSA-N 0 0 435.524 5.396 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl)c1ccccc1F ZINC000023461485 557360847 /nfs/dbraw/zinc/36/08/47/557360847.db2.gz GUCBXQQKJKHPCE-UHFFFAOYSA-N 0 0 426.278 6.238 50 0 IKAARN O=C(NCc1cccs1)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023461416 557360900 /nfs/dbraw/zinc/36/09/00/557360900.db2.gz QNTUVSKQMZQPBZ-UHFFFAOYSA-N 0 0 443.450 5.429 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(OC)cc1)c1ccccc1 ZINC000023462487 557361140 /nfs/dbraw/zinc/36/11/40/557361140.db2.gz SSRSSJSVLSIDNF-HSZRJFAPSA-N 0 0 445.950 6.334 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000023462158 557361157 /nfs/dbraw/zinc/36/11/57/557361157.db2.gz PBHIIRKFLWTKJR-UHFFFAOYSA-N 0 0 443.978 7.051 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023461958 557361172 /nfs/dbraw/zinc/36/11/72/557361172.db2.gz TZOQCBFPTJSTMW-UHFFFAOYSA-N 0 0 442.950 5.303 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(SC)cc1)n2Cc1ccccn1 ZINC000023462277 557361199 /nfs/dbraw/zinc/36/11/99/557361199.db2.gz XRRIZNNTRBEQJF-UHFFFAOYSA-N 0 0 449.601 5.671 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(F)ccc1F)n2Cc1ccccn1 ZINC000023462062 557361207 /nfs/dbraw/zinc/36/12/07/557361207.db2.gz ZFULASZPMOLOHH-UHFFFAOYSA-N 0 0 439.487 5.227 50 0 IKAARN Cc1c(Cl)cccc1CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000023462265 557361214 /nfs/dbraw/zinc/36/12/14/557361214.db2.gz RJIVIPMAMHILCV-UHFFFAOYSA-N 0 0 430.891 5.522 50 0 IKAARN COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000102649814 557361289 /nfs/dbraw/zinc/36/12/89/557361289.db2.gz SFMNJJGEYIVAIA-DEOSSOPVSA-N 0 0 446.547 5.922 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)c2)cc1C ZINC000023462538 557361450 /nfs/dbraw/zinc/36/14/50/557361450.db2.gz AMMHLKLRFLRLNJ-UHFFFAOYSA-N 0 0 436.511 6.056 50 0 IKAARN O=C(NCCc1cccs1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023452328 557361461 /nfs/dbraw/zinc/36/14/61/557361461.db2.gz BDBIZHMBGQGIBV-UHFFFAOYSA-N 0 0 441.478 5.797 50 0 IKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3ccccc3Cl)nc2c1 ZINC000023452657 557361473 /nfs/dbraw/zinc/36/14/73/557361473.db2.gz NLJCLGAEOAQFGX-UHFFFAOYSA-N 0 0 425.315 6.286 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023452974 557361481 /nfs/dbraw/zinc/36/14/81/557361481.db2.gz OOBBVLOAKAPGDB-UHFFFAOYSA-N 0 0 427.935 5.816 50 0 IKAARN Cc1ccccc1CC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023452885 557361519 /nfs/dbraw/zinc/36/15/19/557361519.db2.gz MFUUPEFAXXASRV-UHFFFAOYSA-N 0 0 427.523 5.557 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102653685 557361695 /nfs/dbraw/zinc/36/16/95/557361695.db2.gz QQXFLCVXVIZOCK-AREMUKBSSA-N 0 0 430.592 7.187 50 0 IKAARN O=C(c1ccc(F)c(F)c1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023453849 557361880 /nfs/dbraw/zinc/36/18/80/557361880.db2.gz SUPLEKLPDLLSRZ-UHFFFAOYSA-N 0 0 430.813 5.741 50 0 IKAARN COc1cccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1OC ZINC000102658454 557362117 /nfs/dbraw/zinc/36/21/17/557362117.db2.gz BKAUOSXIBMXVIS-OAQYLSRUSA-N 0 0 448.548 5.259 50 0 IKAARN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023454787 557362126 /nfs/dbraw/zinc/36/21/26/557362126.db2.gz YSCYWZJOVZKCEG-UHFFFAOYSA-N 0 0 429.470 5.441 50 0 IKAARN CCCCCc1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000023455035 557362145 /nfs/dbraw/zinc/36/21/45/557362145.db2.gz CILDQALJGMXMMS-UHFFFAOYSA-N 0 0 438.546 7.540 50 0 IKAARN O=C(CCc1ccc(F)cc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023454584 557362198 /nfs/dbraw/zinc/36/21/98/557362198.db2.gz PDEYSOJXYUJUGU-UHFFFAOYSA-N 0 0 445.513 5.778 50 0 IKAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC ZINC000102665115 557362242 /nfs/dbraw/zinc/36/22/42/557362242.db2.gz JMBQVHKBHUJOLX-NYHFZMIOSA-N 0 0 436.899 5.014 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC ZINC000102665111 557362322 /nfs/dbraw/zinc/36/23/22/557362322.db2.gz JMBQVHKBHUJOLX-OYHNWAKOSA-N 0 0 436.899 5.014 50 0 IKAARN COc1cc(OC)cc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccc(C)cc2)c1 ZINC000023455331 557362417 /nfs/dbraw/zinc/36/24/17/557362417.db2.gz ODJNKLZVVQBHQQ-UHFFFAOYSA-N 0 0 430.504 5.304 50 0 IKAARN COc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)n2)c1 ZINC000023455475 557362422 /nfs/dbraw/zinc/36/24/22/557362422.db2.gz POWWTXGSZZJZNF-UHFFFAOYSA-N 0 0 436.555 6.974 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023455981 557362426 /nfs/dbraw/zinc/36/24/26/557362426.db2.gz QOHQQPHJPVZFDG-DEOSSOPVSA-N 0 0 429.470 5.625 50 0 IKAARN O=C(c1cccc2ccccc21)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023455484 557362438 /nfs/dbraw/zinc/36/24/38/557362438.db2.gz LBMNHKMTSNDJBA-HHHXNRCGSA-N 0 0 440.974 6.041 50 0 IKAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102665817 557362623 /nfs/dbraw/zinc/36/26/23/557362623.db2.gz WOUXPYKSHMSUPC-FPTDNZKUSA-N 0 0 436.899 5.014 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@@H]2c1ccccc1 ZINC000102667854 557362656 /nfs/dbraw/zinc/36/26/56/557362656.db2.gz ACFXPWMTCACFQC-MUUNZHRXSA-N 0 0 448.570 7.029 50 0 IKAARN Cc1cc(C)cc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023456311 557362695 /nfs/dbraw/zinc/36/26/95/557362695.db2.gz FUVHXVUHMMQNIZ-UHFFFAOYSA-N 0 0 427.523 5.937 50 0 IKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000102673511 557362786 /nfs/dbraw/zinc/36/27/86/557362786.db2.gz YCTKTUKPUOEWDH-MZNJEOGPSA-N 0 0 426.907 6.150 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(OC)c1)n2Cc1ccccc1 ZINC000023457580 557362975 /nfs/dbraw/zinc/36/29/75/557362975.db2.gz CMIRDZDLJZRIAE-UHFFFAOYSA-N 0 0 432.545 5.562 50 0 IKAARN CC1(C)c2ccccc2N2[C@@H](C(=O)Nc3ccccc3)[C@H]3C[C@]21Oc1ccc2ccccc2c13 ZINC000102674422 557363160 /nfs/dbraw/zinc/36/31/60/557363160.db2.gz PMHSFIULDHIJHK-JGNKLCKRSA-N 0 0 446.550 6.221 50 0 IKAARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102675034 557363212 /nfs/dbraw/zinc/36/32/12/557363212.db2.gz PYFVFXDWBJAACS-IVZQSRNASA-N 0 0 436.899 5.101 50 0 IKAARN O=C(Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1cncc(Br)c1 ZINC000023457726 557363241 /nfs/dbraw/zinc/36/32/41/557363241.db2.gz CUBRZCWJZZDIGE-UHFFFAOYSA-N 0 0 446.304 5.517 50 0 IKAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023457957 557363288 /nfs/dbraw/zinc/36/32/88/557363288.db2.gz PKDQYDYGHXHAIL-QFIPXVFZSA-N 0 0 447.460 6.180 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cccc2ccccc21 ZINC000023457778 557363317 /nfs/dbraw/zinc/36/33/17/557363317.db2.gz RANJPQIKYUAVDN-UHFFFAOYSA-N 0 0 448.588 6.085 50 0 IKAARN Cc1nnc(COC(=O)c2c3ccccc3nc3c2C[C@@H](C)C/C3=C/c2ccccc2)o1 ZINC000023469940 557363590 /nfs/dbraw/zinc/36/35/90/557363590.db2.gz LZRZZMSPYLIRHU-UYPHOHSBSA-N 0 0 425.488 5.406 50 0 IKAARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3c[nH]c4ccccc43)C12 ZINC000102689724 557363880 /nfs/dbraw/zinc/36/38/80/557363880.db2.gz WMTVKRCQBJIXBW-SPLOXXLWSA-N 0 0 449.436 5.843 50 0 IKAARN O=C(Nc1ccc2c(c1)C(N1CCOCC1)=Nc1cc(Cl)ccc1O2)c1cccs1 ZINC000102696453 557364939 /nfs/dbraw/zinc/36/49/39/557364939.db2.gz DWIJZJVFPIOZKD-UHFFFAOYSA-N 0 0 439.924 5.170 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@]32CCOC(C)(C)C2)cc1 ZINC000102696221 557365050 /nfs/dbraw/zinc/36/50/50/557365050.db2.gz GELAIDRTICEJSY-REWPJTCUSA-N 0 0 441.369 5.586 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c(C)c1 ZINC000072328547 557365543 /nfs/dbraw/zinc/36/55/43/557365543.db2.gz OJIXQVNXPJRSAA-UHFFFAOYSA-N 0 0 430.577 5.669 50 0 IKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCc1coc(-c2ccccc2)n1 ZINC000023541469 557365560 /nfs/dbraw/zinc/36/55/60/557365560.db2.gz JLNDOXGDOUZGHU-UHFFFAOYSA-N 0 0 425.513 5.641 50 0 IKAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102709187 557367661 /nfs/dbraw/zinc/36/76/61/557367661.db2.gz SBXXZWYDZDXGMP-TWJOJJKGSA-N 0 0 434.495 5.199 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102677572 557367872 /nfs/dbraw/zinc/36/78/72/557367872.db2.gz FSDMLDABDRJCRH-VWLOTQADSA-N 0 0 434.536 5.906 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000102680933 557368270 /nfs/dbraw/zinc/36/82/70/557368270.db2.gz MPRXCXOBOBBYHI-VPUSJEBWSA-N 0 0 428.532 6.070 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccco2)cc1 ZINC000102678937 557368283 /nfs/dbraw/zinc/36/82/83/557368283.db2.gz IUSQNTVMGODUCY-CPJLOUKISA-N 0 0 428.488 6.004 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CCc1ccc(-c3ccccc3)o1)C[C@@H](C)CC2 ZINC000011689919 557368537 /nfs/dbraw/zinc/36/85/37/557368537.db2.gz YYCNLXWTKWNYIV-INIZCTEOSA-N 0 0 437.561 5.881 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cc(Br)cs1 ZINC000011690084 557368792 /nfs/dbraw/zinc/36/87/92/557368792.db2.gz PZYXPQVSYBWFNU-UHFFFAOYSA-N 0 0 448.194 6.117 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000011690027 557368809 /nfs/dbraw/zinc/36/88/09/557368809.db2.gz DCFRNIVJQNDKDV-UHFFFAOYSA-N 0 0 444.541 5.891 50 0 IKAARN COc1ccc(CN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1OC ZINC000102723861 557369195 /nfs/dbraw/zinc/36/91/95/557369195.db2.gz XLSCKEUBBMFCCR-UHFFFAOYSA-N 0 0 441.940 5.243 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)c1 ZINC000050011945 557369397 /nfs/dbraw/zinc/36/93/97/557369397.db2.gz USARBWAKWLWPDB-UHFFFAOYSA-N 0 0 426.630 5.377 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc(Cl)c2)o1 ZINC000102725161 557369584 /nfs/dbraw/zinc/36/95/84/557369584.db2.gz VQTOZUFFNGWSIU-NQIIRXRSSA-N 0 0 443.728 6.246 50 0 IKAARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)c1OC ZINC000102725790 557369856 /nfs/dbraw/zinc/36/98/56/557369856.db2.gz UXSDIDRCXAHRPZ-QRQCRPRQSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(C)cc4)o3)s2)cc1 ZINC000011690424 557369887 /nfs/dbraw/zinc/36/98/87/557369887.db2.gz DWIOYJDXERYHKD-UHFFFAOYSA-N 0 0 432.545 5.882 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102728693 557370661 /nfs/dbraw/zinc/37/06/61/557370661.db2.gz IYGHJVDWDNIWHR-WAIKUNEKSA-N 0 0 432.476 5.314 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524734645 557370827 /nfs/dbraw/zinc/37/08/27/557370827.db2.gz XUMMOBJDHDPRKC-QHCPKHFHSA-N 0 0 447.966 5.541 50 0 IKAARN COc1ccc([C@H](CC(=O)NCC2(c3ccccc3)CCCCC2)c2ccccc2O)cc1 ZINC000524734716 557370848 /nfs/dbraw/zinc/37/08/48/557370848.db2.gz GUWAIGJYHBVHAE-SANMLTNESA-N 0 0 443.587 5.941 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(C4CCCCCCC4)CC3=O)n2)cc1OC ZINC000102729564 557370794 /nfs/dbraw/zinc/37/07/94/557370794.db2.gz DMNZFCADPMJXOV-UHFFFAOYSA-N 0 0 427.570 5.502 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2Cl)o1 ZINC000102728980 557370836 /nfs/dbraw/zinc/37/08/36/557370836.db2.gz UQMMHWCVYFSYTN-RXVVDRJESA-N 0 0 443.728 6.246 50 0 IKAARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000102730290 557371205 /nfs/dbraw/zinc/37/12/05/557371205.db2.gz PDBSHOLBDQLWPN-MWTRTKDXSA-N 0 0 446.503 5.617 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@@H](C(C)C)O[C@H]2C(C)C ZINC000524733562 557371213 /nfs/dbraw/zinc/37/12/13/557371213.db2.gz WCOFHAMHJJNIMX-ICSRJNTNSA-N 0 0 445.581 5.480 50 0 IKAARN COc1ccc([C@@H](CNC(=O)[C@@H](CC(C)C)n2cccc2)c2c[nH]c3ccccc32)cc1 ZINC000524735691 557371255 /nfs/dbraw/zinc/37/12/55/557371255.db2.gz RODIQINRVTXUIN-ZEQKJWHPSA-N 0 0 429.564 5.514 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)s1 ZINC000102731932 557371737 /nfs/dbraw/zinc/37/17/37/557371737.db2.gz NMKODZJMXPJNKU-NQIIRXRSSA-N 0 0 425.351 6.061 50 0 IKAARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000102734305 557372573 /nfs/dbraw/zinc/37/25/73/557372573.db2.gz VACQXHYEZVDZLT-FDDCHVKYSA-N 0 0 444.487 5.386 50 0 IKAARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000102714426 557374422 /nfs/dbraw/zinc/37/44/22/557374422.db2.gz OJHNSWWTXFWCDI-RUZDIDTESA-N 0 0 446.547 5.906 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102717383 557375280 /nfs/dbraw/zinc/37/52/80/557375280.db2.gz LIEWMCGEEMYSGL-YTFSRNRJSA-N 0 0 432.907 5.008 50 0 IKAARN Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102718131 557375320 /nfs/dbraw/zinc/37/53/20/557375320.db2.gz NEGSYGMGTQLUEP-SPLOXXLWSA-N 0 0 441.314 6.603 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(Cc4c(F)cccc4Cl)CC3=O)n2)cc1 ZINC000102718315 557375338 /nfs/dbraw/zinc/37/53/38/557375338.db2.gz VVKOFCJQZBCLGX-UHFFFAOYSA-N 0 0 429.904 5.373 50 0 IKAARN COc1ccc(OC)c([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)c1 ZINC000102719295 557375639 /nfs/dbraw/zinc/37/56/39/557375639.db2.gz URSKXRRSLLNFJN-WNSKOXEYSA-N 0 0 432.476 5.314 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102743259 557376597 /nfs/dbraw/zinc/37/65/97/557376597.db2.gz BPCKCISMEYBLFD-WXFUMESZSA-N 0 0 426.516 5.035 50 0 IKAARN CC(C)c1ccc([C@@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)cc1 ZINC000102763809 557380979 /nfs/dbraw/zinc/38/09/79/557380979.db2.gz CSKDLVXMQNVRAT-IBGZPJMESA-N 0 0 442.304 5.062 50 0 IKAARN O=C(NCCc1ccccc1)c1cccc(CSc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000033940947 557381231 /nfs/dbraw/zinc/38/12/31/557381231.db2.gz JHYSYPYJPOTHIV-UHFFFAOYSA-N 0 0 443.547 5.548 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000102775246 557382366 /nfs/dbraw/zinc/38/23/66/557382366.db2.gz SIEROZRAJQYOLF-HFJWLAOPSA-N 0 0 428.488 5.858 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102752127 557383222 /nfs/dbraw/zinc/38/32/22/557383222.db2.gz GCVWRKJCELMRCW-YTQUADARSA-N 0 0 445.327 5.106 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cc(Br)ccc3F)C2)cc1 ZINC000102799599 557389779 /nfs/dbraw/zinc/38/97/79/557389779.db2.gz UMHCHSRXBMBLCA-QFIPXVFZSA-N 0 0 434.312 6.302 50 0 IKAARN CC[C@H](C(=O)N1CCCN(C2=Nc3ccccc3Oc3ccccc32)CC1)c1ccccc1 ZINC000102812934 557393054 /nfs/dbraw/zinc/39/30/54/557393054.db2.gz DFOCDBKRVBIAGO-QFIPXVFZSA-N 0 0 439.559 5.599 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 ZINC000102870888 557395616 /nfs/dbraw/zinc/39/56/16/557395616.db2.gz HUQRNDUHICMJEI-VWWWFFDPSA-N 0 0 430.529 5.220 50 0 IKAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 ZINC000033428985 557396740 /nfs/dbraw/zinc/39/67/40/557396740.db2.gz FIGLBODDVBPGOD-GGAORHGYSA-N 0 0 438.369 5.082 50 0 IKAARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000102875806 557397196 /nfs/dbraw/zinc/39/71/96/557397196.db2.gz NQGDHBVPLXMRLW-NRFANRHFSA-N 0 0 444.453 6.050 50 0 IKAARN COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000102875810 557397233 /nfs/dbraw/zinc/39/72/33/557397233.db2.gz NQGDHBVPLXMRLW-OAQYLSRUSA-N 0 0 444.453 6.050 50 0 IKAARN C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000033434026 557397308 /nfs/dbraw/zinc/39/73/08/557397308.db2.gz GRFGKUZPTSCGCZ-IBGZPJMESA-N 0 0 444.375 5.244 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccc(-n3nc(OC)nc3-c3ccc(C)cc3)cc2)cc1 ZINC000033429749 557397324 /nfs/dbraw/zinc/39/73/24/557397324.db2.gz XYDRABXHJSKQMZ-UHFFFAOYSA-N 0 0 440.547 5.846 50 0 IKAARN CC(=O)Oc1ccc(/C=C\c2ccc3cccc(OCc4ccccc4Cl)c3n2)cc1 ZINC000033430394 557397339 /nfs/dbraw/zinc/39/73/39/557397339.db2.gz AFXHSYZVRFIQJL-LCYFTJDESA-N 0 0 429.903 6.563 50 0 IKAARN COC(=O)C(=CNc1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl ZINC000100334558 557400306 /nfs/dbraw/zinc/40/03/06/557400306.db2.gz ZDJSFHRKZVNMIG-OVCLIPMQSA-N 0 0 434.106 5.157 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCS[C@H]1c1cccc(C(F)(F)F)c1 ZINC000033477941 557400874 /nfs/dbraw/zinc/40/08/74/557400874.db2.gz VTRQQXHTIJCSOL-QHCPKHFHSA-N 0 0 427.491 6.112 50 0 IKAARN CCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC ZINC000100425592 557402463 /nfs/dbraw/zinc/40/24/63/557402463.db2.gz CPGIDKYJMVXFQG-SANMLTNESA-N 0 0 432.564 6.678 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100429661 557402752 /nfs/dbraw/zinc/40/27/52/557402752.db2.gz DYWAUUYYCXLNMX-QUGAMOGWSA-N 0 0 446.934 6.893 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1C ZINC000004903256 557402764 /nfs/dbraw/zinc/40/27/64/557402764.db2.gz JLXNHVDPRMSQRE-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000100429569 557402806 /nfs/dbraw/zinc/40/28/06/557402806.db2.gz QPJOZWQOFMZQPP-MYUZEXMDSA-N 0 0 442.515 6.248 50 0 IKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000004903694 557403041 /nfs/dbraw/zinc/40/30/41/557403041.db2.gz BLRZOYZZIRWJDB-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN C[C@H](NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N)C12CC3CC(CC(C3)C1)C2 ZINC000033508751 557403097 /nfs/dbraw/zinc/40/30/97/557403097.db2.gz CILWDJWWXIKQPN-NGVVTVSOSA-N 0 0 432.593 5.275 50 0 IKAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)c1cccc2ccccc21 ZINC000004906727 557403384 /nfs/dbraw/zinc/40/33/84/557403384.db2.gz UIYHGZRKILSPJZ-GOSISDBHSA-N 0 0 425.550 5.009 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)C2CCC2)s1 ZINC000004910543 557403756 /nfs/dbraw/zinc/40/37/56/557403756.db2.gz APUMJDZCBOBCJB-UHFFFAOYSA-N 0 0 430.589 5.009 50 0 IKAARN CCn1cc(CN(C(=S)Nc2ccc(Cl)cc2)C2CCCCC2)c2ccccc21 ZINC000004913123 557403967 /nfs/dbraw/zinc/40/39/67/557403967.db2.gz FTMRGZMWNWECCI-UHFFFAOYSA-N 0 0 426.029 6.846 50 0 IKAARN CCn1cc(CN(C(=S)Nc2ccc(C)c(C)c2)C2CCCCCC2)c2ccccc21 ZINC000004913383 557403976 /nfs/dbraw/zinc/40/39/76/557403976.db2.gz AEOPJYVYHVXGMV-UHFFFAOYSA-N 0 0 433.665 7.200 50 0 IKAARN CCn1cc(CN(C(=S)Nc2c(C)cccc2C)C2CCCCCC2)c2ccccc21 ZINC000004913917 557404037 /nfs/dbraw/zinc/40/40/37/557404037.db2.gz XHNMHKYWNFUFGK-UHFFFAOYSA-N 0 0 433.665 7.200 50 0 IKAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)c1 ZINC000004916175 557404350 /nfs/dbraw/zinc/40/43/50/557404350.db2.gz ZWKNDXQBGWKLKL-MRXNPFEDSA-N 0 0 427.570 5.119 50 0 IKAARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 ZINC000102877821 557407088 /nfs/dbraw/zinc/40/70/88/557407088.db2.gz HBTFKSGKHVPODJ-HHHXNRCGSA-N 0 0 446.591 7.068 50 0 IKAARN CCCC1=Nc2cc(C(=O)NC3CCC(C)CC3)ccc2Sc2ccc(Cl)cc21 ZINC000004929959 557409937 /nfs/dbraw/zinc/40/99/37/557409937.db2.gz MXHNZSNLBUCMRP-UHFFFAOYSA-N 0 0 427.013 7.034 50 0 IKAARN O=C(c1cccs1)[C@@H]1C(c2ccc(Cl)cc2Cl)=NO[C@@]12C(=O)Nc1ccccc12 ZINC000102898464 557411049 /nfs/dbraw/zinc/41/10/49/557411049.db2.gz RISIPFOKZDLDST-LAUBAEHRSA-N 0 0 443.311 5.136 50 0 IKAARN O=C(c1cccs1)[C@H]1C(c2ccc(Cl)cc2Cl)=NO[C@@]12C(=O)Nc1ccccc12 ZINC000102898466 557411134 /nfs/dbraw/zinc/41/11/34/557411134.db2.gz RISIPFOKZDLDST-DYESRHJHSA-N 0 0 443.311 5.136 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc(F)c2)o1 ZINC000102910915 557411964 /nfs/dbraw/zinc/41/19/64/557411964.db2.gz MIHQNVGYNIPBET-NQIIRXRSSA-N 0 0 427.273 5.732 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000024459769 557413307 /nfs/dbraw/zinc/41/33/07/557413307.db2.gz KXCBMWZSRJSFFW-OAHLLOKOSA-N 0 0 449.403 6.099 50 0 IKAARN CC[C@H](NC(=O)c1cccc(COCC(F)(F)C(F)F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000033580378 557414133 /nfs/dbraw/zinc/41/41/33/557414133.db2.gz CZCMGTWILXREHC-JNCPLXCYSA-N 0 0 441.509 5.828 50 0 IKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000102969869 557414278 /nfs/dbraw/zinc/41/42/78/557414278.db2.gz AYOOLMOEXJWWAF-VWLOTQADSA-N 0 0 436.983 7.323 50 0 IKAARN S=C1N=NC(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1c1ccccc1 ZINC000034317085 557414724 /nfs/dbraw/zinc/41/47/24/557414724.db2.gz APEBZIDNLKKWIG-UHFFFAOYSA-N 0 0 441.585 5.905 50 0 IKAARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000102984726 557414785 /nfs/dbraw/zinc/41/47/85/557414785.db2.gz RHAOXPWIIXEHJR-MYUZEXMDSA-N 0 0 444.531 7.003 50 0 IKAARN C[C@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@@H]1[C@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000102984523 557414826 /nfs/dbraw/zinc/41/48/26/557414826.db2.gz IRKARXPTWCTTMK-XWDJFTLGSA-N 0 0 425.572 6.006 50 0 IKAARN Cc1coc2c1cc1c(C)c(CC(=O)N3CCCC[C@@H]3c3cccnc3)c(=O)oc1c2C ZINC000526052334 557422488 /nfs/dbraw/zinc/42/24/88/557422488.db2.gz GUMJHDWJZPTPIB-JOCHJYFZSA-N 0 0 430.504 5.156 50 0 IKAARN O=C(Nc1ccc2c(c1)C(N1CCOCC1)=Nc1ccccc1O2)c1cccc(Cl)c1 ZINC000103154566 557424488 /nfs/dbraw/zinc/42/44/88/557424488.db2.gz BYHNQLDFSZNPAY-UHFFFAOYSA-N 0 0 433.895 5.109 50 0 IKAARN O=C(Nc1nc2ccccc2s1)C(C(=O)Nc1nc2ccccc2s1)[C@@H]1C=CCC1 ZINC000135757762 557426017 /nfs/dbraw/zinc/42/60/17/557426017.db2.gz ORPKLDBVUFDOKO-CYBMUJFWSA-N 0 0 434.546 5.066 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000103231469 557428058 /nfs/dbraw/zinc/42/80/58/557428058.db2.gz FFAINGUAPNUNTI-KZBLUPIWSA-N 0 0 437.175 5.439 50 0 IKAARN C[C@@H](NC(=O)CN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000103259888 557431050 /nfs/dbraw/zinc/43/10/50/557431050.db2.gz CULGIHAOBXRZFM-RTBURBONSA-N 0 0 449.982 5.463 50 0 IKAARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000103450739 557437381 /nfs/dbraw/zinc/43/73/81/557437381.db2.gz WMUGBHWKXAIERP-PZGXJGMVSA-N 0 0 437.587 7.162 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@H](C)c2ccccc2)[C@H]1c1cccs1 ZINC000103727242 557440717 /nfs/dbraw/zinc/44/07/17/557440717.db2.gz LCPUEMUJQJECLB-PUZWTLIVSA-N 0 0 432.589 5.562 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@H](C)c2ccccc2)[C@@H]1c1cccs1 ZINC000103727235 557440724 /nfs/dbraw/zinc/44/07/24/557440724.db2.gz LCPUEMUJQJECLB-DKLXNKCPSA-N 0 0 432.589 5.562 50 0 IKAARN Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2)cs1 ZINC000014778832 557446498 /nfs/dbraw/zinc/44/64/98/557446498.db2.gz OQXKRZVVKDCLBT-BOLDSZDNSA-N 0 0 446.494 5.940 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000104006114 557448759 /nfs/dbraw/zinc/44/87/59/557448759.db2.gz MHXRPKVZGJIWMS-GKVSMKOHSA-N 0 0 432.520 6.457 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000104006130 557448825 /nfs/dbraw/zinc/44/88/25/557448825.db2.gz MHXRPKVZGJIWMS-CRICUBBOSA-N 0 0 432.520 6.457 50 0 IKAARN CC1(C)CC(=O)C(C(c2ccc(-c3ccccc3)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000104024947 557449402 /nfs/dbraw/zinc/44/94/02/557449402.db2.gz OBRGUVUSFVEDON-UHFFFAOYSA-N 0 0 444.571 5.586 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(F)cc1 ZINC000104156035 557451212 /nfs/dbraw/zinc/45/12/12/557451212.db2.gz JWAUUZZJFWSNDS-HXUWFJFHSA-N 0 0 432.417 6.181 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC ZINC000104158643 557451698 /nfs/dbraw/zinc/45/16/98/557451698.db2.gz RARIFBVFOAQOEU-MMTVBGGISA-N 0 0 440.543 6.641 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N1C(=O)c3ccccc3[C@H]21 ZINC000104164191 557452164 /nfs/dbraw/zinc/45/21/64/557452164.db2.gz ZIYJEQLRLMLTIU-AREMUKBSSA-N 0 0 448.522 6.337 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccccc3)C2)cc1 ZINC000104161923 557452201 /nfs/dbraw/zinc/45/22/01/557452201.db2.gz OZGPFWHAIRPXKW-KMRXNPHXSA-N 0 0 438.527 6.265 50 0 IKAARN CCOc1ccc(Nc2c3cc(CC)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000101309225 557456498 /nfs/dbraw/zinc/45/64/98/557456498.db2.gz VIZRUNNZWVZSQK-UHFFFAOYSA-N 0 0 432.545 5.772 50 0 IKAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014801943 557456941 /nfs/dbraw/zinc/45/69/41/557456941.db2.gz NNBHSGBMUIOOKW-UHFFFAOYSA-N 0 0 429.476 5.939 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014801974 557457007 /nfs/dbraw/zinc/45/70/07/557457007.db2.gz CPEUFVUEEBFONL-UHFFFAOYSA-N 0 0 443.890 6.375 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N3CCOCC3)c3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000104639578 557457041 /nfs/dbraw/zinc/45/70/41/557457041.db2.gz ZCPWMTWVRJVGGQ-HXUWFJFHSA-N 0 0 430.470 5.130 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)o2)cc1 ZINC000014801303 557457073 /nfs/dbraw/zinc/45/70/73/557457073.db2.gz BIIQDWTXFDTMAR-UHFFFAOYSA-N 0 0 431.410 5.158 50 0 IKAARN Fc1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccc(F)cc3)cs2)cc1 ZINC000014803948 557457293 /nfs/dbraw/zinc/45/72/93/557457293.db2.gz RCSHUJYFHFAPLR-UHFFFAOYSA-N 0 0 437.500 5.510 50 0 IKAARN O=C(C=Cc1csc(-c2ccc(F)cc2)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000104673972 557458045 /nfs/dbraw/zinc/45/80/45/557458045.db2.gz NVHFZWVTAAVMAR-FPLPWBNLSA-N 0 0 430.508 5.155 50 0 IKAARN COc1ccc(NC(=O)c2ccc(COC(=O)/C=C/c3cccc4cccnc34)cc2)cc1 ZINC000014812797 557458380 /nfs/dbraw/zinc/45/83/80/557458380.db2.gz WDZBGDYQCMVTRG-LFIBNONCSA-N 0 0 438.483 5.252 50 0 IKAARN C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)C[C@H]1C ZINC000104755600 557460742 /nfs/dbraw/zinc/46/07/42/557460742.db2.gz QBAUIECIDKYOAY-UDYZVEDUSA-N 0 0 444.641 5.698 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000104826587 557462267 /nfs/dbraw/zinc/46/22/67/557462267.db2.gz PSHCZBPSPAHRNI-RNODOKPDSA-N 0 0 425.941 5.436 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)c1 ZINC000016193586 557470526 /nfs/dbraw/zinc/47/05/26/557470526.db2.gz MHUOUNZMDHKXKP-UHFFFAOYSA-N 0 0 448.486 5.406 50 0 IKAARN C[C@H]1CCCN(c2cc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)c3ccccc3n2)C1 ZINC000105076997 557475666 /nfs/dbraw/zinc/47/56/66/557475666.db2.gz VZEOOXZMDNJXFR-RBISFHTESA-N 0 0 449.598 6.185 50 0 IKAARN C[C@H]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c2ccccc2S1 ZINC000024585752 557476405 /nfs/dbraw/zinc/47/64/05/557476405.db2.gz GFBAXEFHQNGGIL-KRWDZBQOSA-N 0 0 433.577 5.044 50 0 IKAARN CCn1c(SCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)nnc1-c1cccs1 ZINC000026684959 557493352 /nfs/dbraw/zinc/49/33/52/557493352.db2.gz SLULBKZWWNWROD-GFCCVEGCSA-N 0 0 440.516 5.015 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1Cl)O2 ZINC000019799411 557497030 /nfs/dbraw/zinc/49/70/30/557497030.db2.gz MBMDJBFJGOBUQY-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN Cc1ccc(S(=O)(=O)/C(=C\Sc2ccc(Cl)cc2)NC(=O)c2ccccc2)cc1 ZINC000019894028 557498619 /nfs/dbraw/zinc/49/86/19/557498619.db2.gz BMSFQZRYEJLKFE-QNGOZBTKSA-N 0 0 443.977 5.443 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3ccc[nH]3)o2)cs1)c1c(C)cc(C)cc1C ZINC000018366552 557498754 /nfs/dbraw/zinc/49/87/54/557498754.db2.gz BLPVSAFTCDYNJE-UHFFFAOYSA-N 0 0 439.566 5.423 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)[C@H]1C ZINC000105450912 557498851 /nfs/dbraw/zinc/49/88/51/557498851.db2.gz RIRWKPPHAPJVAF-WTSUFGCBSA-N 0 0 438.955 5.047 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)[C@H]1C ZINC000105451300 557498868 /nfs/dbraw/zinc/49/88/68/557498868.db2.gz NIVOOVJIAXRMQY-WWFFZLASSA-N 0 0 438.568 5.246 50 0 IKAARN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O ZINC000105544638 557507326 /nfs/dbraw/zinc/50/73/26/557507326.db2.gz HORBLPIYENOYJM-UPBAHGLJSA-N 0 0 449.591 5.432 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000105590929 557509086 /nfs/dbraw/zinc/50/90/86/557509086.db2.gz YPUKXAKWKIWYMT-RNODOKPDSA-N 0 0 425.941 5.436 50 0 IKAARN CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)CC1 ZINC000024595338 557511989 /nfs/dbraw/zinc/51/19/89/557511989.db2.gz KAOIWVHLFODWDH-UHFFFAOYSA-N 0 0 445.635 5.433 50 0 IKAARN COc1ccc(Cn2cc([C@@H](CC(N)=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 ZINC000105988071 557512464 /nfs/dbraw/zinc/51/24/64/557512464.db2.gz VOUHGHQZKVFUKW-VWLOTQADSA-N 0 0 440.587 6.003 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000046891406 557512974 /nfs/dbraw/zinc/51/29/74/557512974.db2.gz YALJPFVRCGQXAJ-VXGBXAGGSA-N 0 0 425.278 5.149 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000110530576 557514572 /nfs/dbraw/zinc/51/45/72/557514572.db2.gz GZYVZMWMBUTUMQ-QHHYFVSCSA-N 0 0 431.356 5.308 50 0 IKAARN Cc1cc(SCC(=O)N2CCC(c3noc4ccc(F)cc43)CC2)nc2ccccc12 ZINC000037867244 557521623 /nfs/dbraw/zinc/52/16/23/557521623.db2.gz UDDGKMQBOSBVQC-UHFFFAOYSA-N 0 0 435.524 5.322 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000003171784 557523295 /nfs/dbraw/zinc/52/32/95/557523295.db2.gz GENAIAFOFYUDAB-RCCKNPSSSA-N 0 0 448.494 6.591 50 0 IKAARN O=C1O/C(=C\c2cccc(OCc3ccccc3)c2)C(c2ccccc2)=C1c1ccccc1 ZINC000003354796 557525835 /nfs/dbraw/zinc/52/58/35/557525835.db2.gz VWZBYPRBTPFSJT-OOAXWGSJSA-N 0 0 430.503 6.774 50 0 IKAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(SC(C)C)cc1 ZINC000012070899 557526360 /nfs/dbraw/zinc/52/63/60/557526360.db2.gz KGVYXXMITXWBPN-UHFFFAOYSA-N 0 0 425.575 5.883 50 0 IKAARN C[C@@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 ZINC000106341929 557528223 /nfs/dbraw/zinc/52/82/23/557528223.db2.gz USEVJXUDAHBZHA-GBSMKCJWSA-N 0 0 430.342 5.150 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)cc3C)C2)cc1 ZINC000106389771 557528519 /nfs/dbraw/zinc/52/85/19/557528519.db2.gz QXGOSPCQILIKKQ-YADHBBJMSA-N 0 0 444.579 5.288 50 0 IKAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000106420265 557529284 /nfs/dbraw/zinc/52/92/84/557529284.db2.gz GGDLDPVVVMGQCW-OXTHUFEASA-N 0 0 448.592 5.068 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000211077465 557533871 /nfs/dbraw/zinc/53/38/71/557533871.db2.gz CQDFTVBOASAKJJ-UHFFFAOYSA-N 0 0 441.278 5.068 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000106937280 557533877 /nfs/dbraw/zinc/53/38/77/557533877.db2.gz KFXIRDYUFKJWPD-GGAORHGYSA-N 0 0 443.761 7.198 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000106937309 557533979 /nfs/dbraw/zinc/53/39/79/557533979.db2.gz PXJJKLJKCJJZCP-YIXXDRMTSA-N 0 0 436.536 6.168 50 0 IKAARN COc1ccc(Br)c(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c1 ZINC000211146350 557534305 /nfs/dbraw/zinc/53/43/05/557534305.db2.gz KFCJVHUBAFCONV-GOSISDBHSA-N 0 0 440.790 5.432 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000107795690 557536759 /nfs/dbraw/zinc/53/67/59/557536759.db2.gz DWZZURHVWBQXBC-GDLZYMKVSA-N 0 0 428.535 6.904 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)ccc1Br ZINC000044837510 557538826 /nfs/dbraw/zinc/53/88/26/557538826.db2.gz RAHWWRYMWXRPNN-UHFFFAOYSA-N 0 0 435.119 5.162 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000044918646 557540703 /nfs/dbraw/zinc/54/07/03/557540703.db2.gz MWCDKRKPXPAYSC-DEOSSOPVSA-N 0 0 445.563 5.079 50 0 IKAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1Cl ZINC000044918280 557540712 /nfs/dbraw/zinc/54/07/12/557540712.db2.gz KHILFAOWOHQRJF-QGZVFWFLSA-N 0 0 445.306 5.175 50 0 IKAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000044922093 557541139 /nfs/dbraw/zinc/54/11/39/557541139.db2.gz KPIYGUKNJZFJQA-UHFFFAOYSA-N 0 0 427.935 5.802 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@H]1C ZINC000108861677 557543792 /nfs/dbraw/zinc/54/37/92/557543792.db2.gz XQQRZJNAYJNLCY-CEXWTWQISA-N 0 0 438.593 5.164 50 0 IKAARN COc1cc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)ccc1O ZINC000108885665 557543997 /nfs/dbraw/zinc/54/39/97/557543997.db2.gz DTPWQNGPJNEMNV-QPEQYQDCSA-N 0 0 449.304 5.033 50 0 IKAARN Cc1cccc(Sc2ccc(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)nn2)c1 ZINC000045921680 557547575 /nfs/dbraw/zinc/54/75/75/557547575.db2.gz WVVXOYHYUZKKNE-FQEVSTJZSA-N 0 0 446.620 5.073 50 0 IKAARN Cc1ccc(C(=O)c2cn(CC(=O)c3ccc(Cl)cc3)c3nc(C)ccc3c2=O)c(C)c1 ZINC000045921919 557547861 /nfs/dbraw/zinc/54/78/61/557547861.db2.gz KHEUAQHAGKUTIZ-UHFFFAOYSA-N 0 0 444.918 5.089 50 0 IKAARN Cn1c2cc(NC(=O)c3cccc(F)c3)c(Sc3ccccc3Cl)cc2n(C)c1=O ZINC000045940881 557549310 /nfs/dbraw/zinc/54/93/10/557549310.db2.gz MTDXSEBVBGHZBR-UHFFFAOYSA-N 0 0 441.915 5.073 50 0 IKAARN Cn1c2cc(NC(=O)c3ccc(F)cc3)c(Sc3ccccc3Cl)cc2n(C)c1=O ZINC000045940908 557549325 /nfs/dbraw/zinc/54/93/25/557549325.db2.gz YLKRHYFICDDYJV-UHFFFAOYSA-N 0 0 441.915 5.073 50 0 IKAARN CCc1ccc(Cn2c3nnc(SCc4ccc(C)cc4)n3c3ccsc3c2=O)cc1 ZINC000045924593 557549464 /nfs/dbraw/zinc/54/94/64/557549464.db2.gz HLIKPTKQDVJTDO-UHFFFAOYSA-N 0 0 446.601 5.317 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(-c2cccc(Cl)c2)cc(=O)[nH]1 ZINC000045924669 557549898 /nfs/dbraw/zinc/54/98/98/557549898.db2.gz PHILEHNXSADJFH-UHFFFAOYSA-N 0 0 444.343 6.412 50 0 IKAARN CCOc1ccccc1[C@H]1C(c2ccc(OC)cc2)C(=O)C(=O)N1Cc1ccc(OC)cc1 ZINC000045928235 557550309 /nfs/dbraw/zinc/55/03/09/557550309.db2.gz AUOVRCQVCXSZDW-VWLOTQADSA-N 0 0 445.515 5.155 50 0 IKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@H](c2ccccc2F)C1c1ccc(Cl)cc1 ZINC000045928382 557550332 /nfs/dbraw/zinc/55/03/32/557550332.db2.gz MTOYUZZRXPUOFI-OAQYLSRUSA-N 0 0 428.290 6.185 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000045928138 557550367 /nfs/dbraw/zinc/55/03/67/557550367.db2.gz IYEVQAGVNXWUGO-QFIPXVFZSA-N 0 0 437.442 5.349 50 0 IKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1 ZINC000045928409 557550540 /nfs/dbraw/zinc/55/05/40/557550540.db2.gz OQTMADMXDUJKPH-OAQYLSRUSA-N 0 0 444.745 6.700 50 0 IKAARN COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 ZINC000045933010 557550548 /nfs/dbraw/zinc/55/05/48/557550548.db2.gz HBSKMINVKRFHFP-UHFFFAOYSA-N 0 0 426.969 5.672 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(F)c(Cl)c2)cc1 ZINC000045928537 557550567 /nfs/dbraw/zinc/55/05/67/557550567.db2.gz SIVUFMVLICTHIM-JOCHJYFZSA-N 0 0 439.939 6.254 50 0 IKAARN CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)cc1 ZINC000045933298 557550576 /nfs/dbraw/zinc/55/05/76/557550576.db2.gz XYRUZIHDKLFXFI-UHFFFAOYSA-N 0 0 439.024 6.570 50 0 IKAARN CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 ZINC000045932998 557550599 /nfs/dbraw/zinc/55/05/99/557550599.db2.gz AYHMZPJCOVXLTM-UHFFFAOYSA-N 0 0 439.024 6.570 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000045941814 557551282 /nfs/dbraw/zinc/55/12/82/557551282.db2.gz KOADRTFPAJZTTI-AREMUKBSSA-N 0 0 443.543 5.416 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000045941571 557551290 /nfs/dbraw/zinc/55/12/90/557551290.db2.gz MHSYZOKFXJTNEE-JOCHJYFZSA-N 0 0 434.333 5.810 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Br)cc1 ZINC000045941781 557551312 /nfs/dbraw/zinc/55/13/12/557551312.db2.gz ZPSLLZODZBPQPH-HSZRJFAPSA-N 0 0 448.360 5.853 50 0 IKAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000045941954 557551511 /nfs/dbraw/zinc/55/15/11/557551511.db2.gz PZWYRVGHVXGAQH-DEOSSOPVSA-N 0 0 427.500 5.143 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045942196 557551721 /nfs/dbraw/zinc/55/17/21/557551721.db2.gz NQHCOUXQNNWTBF-QHCPKHFHSA-N 0 0 435.520 5.609 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045942175 557551729 /nfs/dbraw/zinc/55/17/29/557551729.db2.gz CRLXMCRSCCPLDJ-QHCPKHFHSA-N 0 0 435.976 6.423 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942197 557551779 /nfs/dbraw/zinc/55/17/79/557551779.db2.gz NQWFRJJSUNLDLN-RUZDIDTESA-N 0 0 429.585 6.585 50 0 IKAARN CC(C)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000045942503 557551894 /nfs/dbraw/zinc/55/18/94/557551894.db2.gz GEKCXHMAHSAWLF-QHCPKHFHSA-N 0 0 448.360 6.630 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000045942418 557551899 /nfs/dbraw/zinc/55/18/99/557551899.db2.gz IORNFGOOBWYWJK-OAQYLSRUSA-N 0 0 438.296 5.954 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000045943240 557552326 /nfs/dbraw/zinc/55/23/26/557552326.db2.gz KAAUCXJHWLBVRO-UHFFFAOYSA-N 0 0 431.355 5.760 50 0 IKAARN Cc1ccc2ncc3c(sc(C(=O)NCCCc4ccccc4)c3-c3ccccc3)c2c1 ZINC000045943899 557552581 /nfs/dbraw/zinc/55/25/81/557552581.db2.gz CXEMRALROSMWNC-UHFFFAOYSA-N 0 0 436.580 6.788 50 0 IKAARN Cc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000045943757 557552591 /nfs/dbraw/zinc/55/25/91/557552591.db2.gz IGDWUQAQEYYYPW-KRWDZBQOSA-N 0 0 436.964 5.987 50 0 IKAARN O=C(NCCc1ccccc1)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000045943862 557552615 /nfs/dbraw/zinc/55/26/15/557552615.db2.gz WHVDUSOCUFVARX-UHFFFAOYSA-N 0 0 442.971 6.742 50 0 IKAARN O=C(NCc1ccccc1)c1sc2c(cnc3cc4c(cc23)OCO4)c1-c1ccccc1 ZINC000045943745 557552632 /nfs/dbraw/zinc/55/26/32/557552632.db2.gz TZYADYQEKYTORW-UHFFFAOYSA-N 0 0 438.508 5.775 50 0 IKAARN O=C(NCCCc1ccco1)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000045943886 557552639 /nfs/dbraw/zinc/55/26/39/557552639.db2.gz XDZZKWPIBSXELR-UHFFFAOYSA-N 0 0 446.959 6.726 50 0 IKAARN O=c1oc2ccccc2c(NCC2CCCCC2)c1NS(=O)(=O)c1ccccc1Cl ZINC000045961085 557555027 /nfs/dbraw/zinc/55/50/27/557555027.db2.gz MNCFDCCUGFICOA-UHFFFAOYSA-N 0 0 446.956 5.239 50 0 IKAARN O=c1oc2ccccc2c(NCC2CCCCC2)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC000045961082 557555071 /nfs/dbraw/zinc/55/50/71/557555071.db2.gz UKEBRGSHAVUXCB-UHFFFAOYSA-N 0 0 446.956 5.239 50 0 IKAARN COc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1Cl ZINC000045961042 557555095 /nfs/dbraw/zinc/55/50/95/557555095.db2.gz AOBNOIWNJRFOAI-UHFFFAOYSA-N 0 0 440.334 5.263 50 0 IKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc2cc1C ZINC000045967476 557557183 /nfs/dbraw/zinc/55/71/83/557557183.db2.gz RQKBVVUCKNHJMX-UHFFFAOYSA-N 0 0 437.849 5.958 50 0 IKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000045967442 557557212 /nfs/dbraw/zinc/55/72/12/557557212.db2.gz SDIQGFHVLMPJDL-UHFFFAOYSA-N 0 0 436.537 5.296 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038548049 557592067 /nfs/dbraw/zinc/59/20/67/557592067.db2.gz DFRLXSDOBPHEKE-HXUWFJFHSA-N 0 0 434.590 5.979 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000039404513 557646887 /nfs/dbraw/zinc/64/68/87/557646887.db2.gz JFKHTAOEQKQUED-UGSGIHTQSA-N 0 0 439.005 6.900 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000000842028 557700629 /nfs/dbraw/zinc/70/06/29/557700629.db2.gz KRQIILQWVUYYST-ZKKFKWFVSA-N 0 0 433.429 5.276 50 0 IKAARN Cc1ccc(CSc2nnc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)n2C)cc1 ZINC000001005201 557710736 /nfs/dbraw/zinc/71/07/36/557710736.db2.gz JIAORJFYGSCJCP-UHFFFAOYSA-N 0 0 428.561 5.644 50 0 IKAARN FC(F)(F)c1cccc(-c2nc3n(n2)[C@@H](C(Cl)(Cl)Cl)Nc2ccccc2-3)c1 ZINC000225403622 557718918 /nfs/dbraw/zinc/71/89/18/557718918.db2.gz DYVOGVQVSMPMPV-HNNXBMFYSA-N 0 0 433.648 5.925 50 0 IKAARN CCCCOc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)cc1 ZINC000225408212 557719395 /nfs/dbraw/zinc/71/93/95/557719395.db2.gz WZQBLUJRTQLRQC-AJTFRIOCSA-N 0 0 445.563 5.033 50 0 IKAARN CN(Cc1csc2ccccc12)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000225486353 557728538 /nfs/dbraw/zinc/72/85/38/557728538.db2.gz HQRQOPDTIFXNOW-UHFFFAOYSA-N 0 0 431.554 5.029 50 0 IKAARN COC(=O)CN1C(c2cccc(Cl)c2)=Nc2cc(Cl)ccc2[C@H]1c1ccccc1 ZINC000225506697 557731700 /nfs/dbraw/zinc/73/17/00/557731700.db2.gz WRSMDSCXWRRHGS-JOCHJYFZSA-N 0 0 425.315 5.650 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(c2ccsc2)=NN1C(C)=O ZINC000225515815 557733541 /nfs/dbraw/zinc/73/35/41/557733541.db2.gz KHXYLUHXSXDTIT-QHCPKHFHSA-N 0 0 442.544 5.307 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000040485932 557756603 /nfs/dbraw/zinc/75/66/03/557756603.db2.gz JEUNNJPVDKFEAC-OAQYLSRUSA-N 0 0 435.321 5.205 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000040485900 557756644 /nfs/dbraw/zinc/75/66/44/557756644.db2.gz HQXCTGFKKSAZAT-OAQYLSRUSA-N 0 0 435.321 5.205 50 0 IKAARN CN(CCO)CC(=O)Nc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000225780766 557777213 /nfs/dbraw/zinc/77/72/13/557777213.db2.gz WPQONNWMLJFGJN-UHFFFAOYSA-N 0 0 445.950 5.085 50 0 IKAARN O=C(c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000000842138 557796474 /nfs/dbraw/zinc/79/64/74/557796474.db2.gz PZRGNUYBZGGEIO-NRFANRHFSA-N 0 0 445.320 5.317 50 0 IKAARN Cc1oc2cc(OCc3ccccc3Cl)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000000842837 557802694 /nfs/dbraw/zinc/80/26/94/557802694.db2.gz UWDXJHBRMHZTPO-UHFFFAOYSA-N 0 0 448.902 6.162 50 0 IKAARN O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000226408600 557806715 /nfs/dbraw/zinc/80/67/15/557806715.db2.gz CMWQHGOOGSLUPK-IEXUWNMDSA-N 0 0 431.532 5.249 50 0 IKAARN COC(=O)c1cccc(COc2ccc3occ(C(=O)c4ccc(OC)c(OC)c4)c3c2)c1 ZINC000226848741 557809946 /nfs/dbraw/zinc/80/99/46/557809946.db2.gz OCIKMJXPDNSZSV-UHFFFAOYSA-N 0 0 446.455 5.047 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000843632 557811320 /nfs/dbraw/zinc/81/13/20/557811320.db2.gz AJWLGUNRLUABCH-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000000848362 557829484 /nfs/dbraw/zinc/82/94/84/557829484.db2.gz SFHXBOVAGNPHGU-UHFFFAOYSA-N 0 0 427.740 5.712 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848510 557829566 /nfs/dbraw/zinc/82/95/66/557829566.db2.gz NMORNFDHKZLBHW-UHFFFAOYSA-N 0 0 441.196 5.567 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Oc1ccc(OCc2ccccc2)cc1 ZINC000000848231 557829583 /nfs/dbraw/zinc/82/95/83/557829583.db2.gz GYBBROQAADATQU-UHFFFAOYSA-N 0 0 436.464 5.152 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc5ccccc54)c3n2)cc1 ZINC000000848672 557829708 /nfs/dbraw/zinc/82/97/08/557829708.db2.gz RNSYHORMXVLVDA-UHFFFAOYSA-N 0 0 446.432 6.129 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)ccc1Br ZINC000000850436 557830637 /nfs/dbraw/zinc/83/06/37/557830637.db2.gz VKLXNSFBSCLQMF-UHFFFAOYSA-N 0 0 446.341 5.265 50 0 IKAARN O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000000853162 557830996 /nfs/dbraw/zinc/83/09/96/557830996.db2.gz JTRRNRGBQKXSAA-UHFFFAOYSA-N 0 0 431.495 6.889 50 0 IKAARN O=C(c1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1)N1CCOCC1 ZINC000000851852 557831052 /nfs/dbraw/zinc/83/10/52/557831052.db2.gz YKBANKFUBRDOAY-UHFFFAOYSA-N 0 0 444.922 5.166 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(I)ccc1Cl ZINC000000855724 557831163 /nfs/dbraw/zinc/83/11/63/557831163.db2.gz GIBUUPMWRSYJFY-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000000856843 557831441 /nfs/dbraw/zinc/83/14/41/557831441.db2.gz RMBQATLXSBUNCR-DNQXCXABSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN CC[C@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc43)OC(=O)[C@]21C(=O)c1ccccc1 ZINC000229901018 557833834 /nfs/dbraw/zinc/83/38/34/557833834.db2.gz UCPJDYCVQGWTTI-WKNQFTJWSA-N 0 0 446.502 6.005 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000229978264 557834528 /nfs/dbraw/zinc/83/45/28/557834528.db2.gz VFLVERBIEIQBPN-PWRODBHTSA-N 0 0 439.298 5.045 50 0 IKAARN O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000000862998 557836371 /nfs/dbraw/zinc/83/63/71/557836371.db2.gz UEJPFKONZBYGHL-UHFFFAOYSA-N 0 0 442.850 5.085 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000865326 557839081 /nfs/dbraw/zinc/83/90/81/557839081.db2.gz PNCVTURHDQMKFE-FUHWJXTLSA-N 0 0 434.849 5.758 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000866864 557839930 /nfs/dbraw/zinc/83/99/30/557839930.db2.gz RRBJRSVJBNKOIJ-YPMHNXCESA-N 0 0 445.228 5.696 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3N2)cc1 ZINC000000867067 557839968 /nfs/dbraw/zinc/83/99/68/557839968.db2.gz JMBKGCIXLDMDLN-HUUCEWRRSA-N 0 0 426.870 5.131 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 ZINC000000868886 557840116 /nfs/dbraw/zinc/84/01/16/557840116.db2.gz OTPXSKPXMSAZOA-UHFFFAOYSA-N 0 0 442.544 5.176 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)c1C ZINC000000869079 557840183 /nfs/dbraw/zinc/84/01/83/557840183.db2.gz TZUONQMAPXRYRQ-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000869011 557840191 /nfs/dbraw/zinc/84/01/91/557840191.db2.gz CCVBJEGEIUJLEJ-QHCPKHFHSA-N 0 0 440.952 5.197 50 0 IKAARN Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000000869904 557840645 /nfs/dbraw/zinc/84/06/45/557840645.db2.gz BLXCNDRQIMKQPO-UHFFFAOYSA-N 0 0 434.952 5.533 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)NCc1ccccc1Cl ZINC000018588836 557840952 /nfs/dbraw/zinc/84/09/52/557840952.db2.gz CAWPIHKVQHKBDN-AWEZNQCLSA-N 0 0 429.973 5.485 50 0 IKAARN Cc1sc2ncn3c(SCC(=O)N(c4ccccc4)c4ccccc4)nnc3c2c1C ZINC000000870475 557841408 /nfs/dbraw/zinc/84/14/08/557841408.db2.gz XDIHYRMJRPSTNZ-UHFFFAOYSA-N 0 0 445.573 5.413 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1ccc(OC(=O)/C=C/c2ccccc2)c(Br)c1 ZINC000002923828 557841475 /nfs/dbraw/zinc/84/14/75/557841475.db2.gz OTJIQXXHGWQWNS-JOBJLJCHSA-N 0 0 449.300 5.687 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000003191519 557841674 /nfs/dbraw/zinc/84/16/74/557841674.db2.gz VBUDJHLWFVGQTB-UHFFFAOYSA-N 0 0 428.576 6.786 50 0 IKAARN CC(C)c1c(-c2ccc(C(C)(C)C)cc2)sc(-c2ccc(C(C)(C)C)cc2)c1C(C)C ZINC000003107497 557842170 /nfs/dbraw/zinc/84/21/70/557842170.db2.gz UXOBYIUUUKRWFS-UHFFFAOYSA-N 0 0 432.717 9.924 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(Br)cc1 ZINC000003129764 557842252 /nfs/dbraw/zinc/84/22/52/557842252.db2.gz MTYCUWWJANRYSZ-UHFFFAOYSA-N 0 0 435.346 6.492 50 0 IKAARN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000000874111 557848115 /nfs/dbraw/zinc/84/81/15/557848115.db2.gz XEJOHCYLEZRPPC-UHFFFAOYSA-N 0 0 444.560 5.431 50 0 IKAARN Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000000878133 557848643 /nfs/dbraw/zinc/84/86/43/557848643.db2.gz WWWACNAXBQEQOI-IBGZPJMESA-N 0 0 444.560 5.274 50 0 IKAARN O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000003669659 557849554 /nfs/dbraw/zinc/84/95/54/557849554.db2.gz GNFLJZLKYCXNIE-HHHXNRCGSA-N 0 0 448.497 6.163 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000883855 557854526 /nfs/dbraw/zinc/85/45/26/557854526.db2.gz FAJBKXAECUVIAT-UHFFFAOYSA-N 0 0 431.439 5.096 50 0 IKAARN COc1cc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc(OC)c1OC ZINC000000886513 557855603 /nfs/dbraw/zinc/85/56/03/557855603.db2.gz YEQIAQDPTJFOCX-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1Br ZINC000000886804 557855776 /nfs/dbraw/zinc/85/57/76/557855776.db2.gz JVRZMQTYBODBOL-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN Cc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c(C)c1 ZINC000000890216 557859153 /nfs/dbraw/zinc/85/91/53/557859153.db2.gz ZPDJPBLFXVKOHL-FQEVSTJZSA-N 0 0 443.016 5.632 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000018832849 557862199 /nfs/dbraw/zinc/86/21/99/557862199.db2.gz UYOATYGKVMSQAK-UHFFFAOYSA-N 0 0 445.950 6.038 50 0 IKAARN COc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)cc1OC ZINC000001097583 560180493 /nfs/dbraw/zinc/18/04/93/560180493.db2.gz XWUKFYMUYRYSCV-UHFFFAOYSA-N 0 0 444.531 5.045 50 0 biogenic,in-vitro IKAARN O=C(Nc1ccccc1)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 ZINC000002341804 560186755 /nfs/dbraw/zinc/18/67/55/560186755.db2.gz UPKNGUQNXSMHBE-UHFFFAOYSA-N 0 0 432.483 5.998 50 0 in-vitro IKAARN CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC4 ZINC000004082225 560193350 /nfs/dbraw/zinc/19/33/50/560193350.db2.gz MCSMMGJCXCBSKD-SVBFOJLMSA-N 0 0 426.729 8.313 50 0 biogenic,in-vitro IKAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000008783185 560210884 /nfs/dbraw/zinc/21/08/84/560210884.db2.gz NWNQOAZCDWMOGB-DOQWNWBTSA-N 0 0 435.564 5.002 50 0 biogenic,in-vitro IKAARN CCc1ccc(OCCn2c(C)c(C(=O)OCCOC)c3cc(O)c4ccccc4c32)cc1 ZINC000008783575 560210982 /nfs/dbraw/zinc/21/09/82/560210982.db2.gz WTYXMXSOPPQWBK-UHFFFAOYSA-N 0 0 447.531 5.253 50 0 biogenic,in-vitro IKAARN CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CC[C@@H](C)C2 ZINC000001102455 562920530 /nfs/dbraw/zinc/92/05/30/562920530.db2.gz UTERMYOHYAIFSG-GFCCVEGCSA-N 0 0 441.471 5.086 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 ZINC000001129645 562920609 /nfs/dbraw/zinc/92/06/09/562920609.db2.gz UVMOZFWDROFICB-UHFFFAOYSA-N 0 0 444.969 5.241 50 0 IKAARN O=C(NCc1cccnc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001142956 562920699 /nfs/dbraw/zinc/92/06/99/562920699.db2.gz XVBHUBODKPNLKR-UHFFFAOYSA-N 0 0 434.710 5.224 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)cc1 ZINC000001288511 562921116 /nfs/dbraw/zinc/92/11/16/562921116.db2.gz WJSKBGHZENYNGA-UHFFFAOYSA-N 0 0 433.602 6.437 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000001306600 562921118 /nfs/dbraw/zinc/92/11/18/562921118.db2.gz VJSGBIYTMJVNSD-UHFFFAOYSA-N 0 0 429.545 5.260 50 0 IKAARN COc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1 ZINC000001383336 562921507 /nfs/dbraw/zinc/92/15/07/562921507.db2.gz XKTDIJQGUBASII-UHFFFAOYSA-N 0 0 434.464 6.305 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000001393162 562921647 /nfs/dbraw/zinc/92/16/47/562921647.db2.gz RBCLFKLYLYJDDS-UHFFFAOYSA-N 0 0 443.443 5.132 50 0 IKAARN Cc1nc(C(=O)Nc2cccc(Cl)c2)nn1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000001400991 562921699 /nfs/dbraw/zinc/92/16/99/562921699.db2.gz FBNNZKGOMDHCRN-UHFFFAOYSA-N 0 0 439.730 5.575 50 0 aggregator IKAARN COc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3)cc2)c1 ZINC000001429790 562921896 /nfs/dbraw/zinc/92/18/96/562921896.db2.gz NJZQCEPZLZBLFG-UHFFFAOYSA-N 0 0 437.421 5.819 50 0 aggregator IKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CCC2 ZINC000001773504 562924540 /nfs/dbraw/zinc/92/45/40/562924540.db2.gz HHDBSYFCDXMFAT-UHFFFAOYSA-N 0 0 429.582 5.509 50 0 IKAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000001773510 562924572 /nfs/dbraw/zinc/92/45/72/562924572.db2.gz PGDGYRMWDRBIMQ-INIZCTEOSA-N 0 0 443.609 5.755 50 0 IKAARN Cc1ccc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001754499 562924588 /nfs/dbraw/zinc/92/45/88/562924588.db2.gz PYKKINWQNKDMGG-UHFFFAOYSA-N 0 0 434.923 5.121 50 0 IKAARN CCOc1ccccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001836355 562924827 /nfs/dbraw/zinc/92/48/27/562924827.db2.gz ACKICCFBKJFYJN-UHFFFAOYSA-N 0 0 434.923 5.585 50 0 IKAARN Cc1cc(C)cc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001856641 562924939 /nfs/dbraw/zinc/92/49/39/562924939.db2.gz FRTFRYXNPNIIAC-UHFFFAOYSA-N 0 0 448.950 5.429 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 ZINC000002031051 562925635 /nfs/dbraw/zinc/92/56/35/562925635.db2.gz AVQDUQFHNORZCO-UHFFFAOYSA-N 0 0 449.348 6.807 50 0 IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000002152942 562926001 /nfs/dbraw/zinc/92/60/01/562926001.db2.gz XBNXXYHHAGBLRK-UHFFFAOYSA-N 0 0 434.875 5.958 50 0 biogenic IKAARN CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002218192 562926402 /nfs/dbraw/zinc/92/64/02/562926402.db2.gz XMRSUEPCUBFIGZ-UHFFFAOYSA-N 0 0 430.617 6.021 50 0 IKAARN Cc1cc(C)nc(S[C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000002232502 562926467 /nfs/dbraw/zinc/92/64/67/562926467.db2.gz FBSDGWKMSGQFEF-XZOQPEGZSA-N 0 0 447.585 5.113 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002244623 562926554 /nfs/dbraw/zinc/92/65/54/562926554.db2.gz UVXAAFITSHYVSI-UHFFFAOYSA-N 0 0 443.834 5.052 50 0 IKAARN CCOP(=O)(OCC)[C@H](NC(=O)c1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002323137 562926931 /nfs/dbraw/zinc/92/69/31/562926931.db2.gz ASVZHKGQNHXEDR-INIZCTEOSA-N 0 0 438.675 5.532 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000002366793 562927194 /nfs/dbraw/zinc/92/71/94/562927194.db2.gz LKMSMQNVNZLANE-UHFFFAOYSA-N 0 0 445.331 5.263 50 0 IKAARN CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000002371004 562927224 /nfs/dbraw/zinc/92/72/24/562927224.db2.gz TVDPOCVINOIXSD-NFQMXDRXSA-N 0 0 430.312 5.717 50 0 IKAARN Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccccc1Cl ZINC000002415428 562927535 /nfs/dbraw/zinc/92/75/35/562927535.db2.gz WBAHFOSUNVYVKB-UHFFFAOYSA-N 0 0 427.895 5.467 50 0 IKAARN CCOc1cc(-c2nc(-c3ccc(Br)cc3)no2)cc(OCC)c1OCC ZINC000002497419 562928213 /nfs/dbraw/zinc/92/82/13/562928213.db2.gz CXFFCXJBMAKWLF-UHFFFAOYSA-N 0 0 433.302 5.362 50 0 IKAARN Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1 ZINC000002508495 562928276 /nfs/dbraw/zinc/92/82/76/562928276.db2.gz WKHVPWTUJNWJNU-UHFFFAOYSA-N 0 0 430.726 5.463 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000002632280 562928793 /nfs/dbraw/zinc/92/87/93/562928793.db2.gz FVGFCDILBFZIOI-UHFFFAOYSA-N 0 0 428.488 5.702 50 0 IKAARN CC[C@H](C)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000002633554 562928900 /nfs/dbraw/zinc/92/89/00/562928900.db2.gz RVGRJZUUCLIJAT-AWEZNQCLSA-N 0 0 431.941 5.450 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002649880 562929261 /nfs/dbraw/zinc/92/92/61/562929261.db2.gz VIXLSWMMRJHAKI-CYBMUJFWSA-N 0 0 439.591 5.525 50 0 IKAARN COCCCn1c(SCc2cccc(Cl)c2)nc2c3ccccc3sc2c1=O ZINC000002687375 562929780 /nfs/dbraw/zinc/92/97/80/562929780.db2.gz ASGYSFIGQKTKIE-UHFFFAOYSA-N 0 0 430.982 5.593 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2cccs2)c1 ZINC000002722373 562929990 /nfs/dbraw/zinc/92/99/90/562929990.db2.gz FVZIWOKPRSIMEC-UHFFFAOYSA-N 0 0 435.618 5.988 50 0 aggregator IKAARN O=C(c1ccc(Cl)cc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724771 562930040 /nfs/dbraw/zinc/93/00/40/562930040.db2.gz GMUSNVKSUKMPJD-NRFANRHFSA-N 0 0 447.268 5.456 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc2cccnc21 ZINC000002751303 562930078 /nfs/dbraw/zinc/93/00/78/562930078.db2.gz QBYPCCFDXFXURG-UHFFFAOYSA-N 0 0 438.483 5.047 50 0 IKAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000002909270 562930491 /nfs/dbraw/zinc/93/04/91/562930491.db2.gz YZQQITKBNIDBOB-UHFFFAOYSA-N 0 0 441.500 5.008 50 0 IKAARN O=C(CSc1nnc(-c2cccc(F)c2)c(-c2cccc(F)c2)n1)NC1CCCCC1 ZINC000002950916 562931113 /nfs/dbraw/zinc/93/11/13/562931113.db2.gz KIJWSAZNUPHJAF-UHFFFAOYSA-N 0 0 440.519 5.025 50 0 IKAARN Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C)c(C)c2)c1 ZINC000002953316 562931200 /nfs/dbraw/zinc/93/12/00/562931200.db2.gz KGCYGNAOPLLXAN-WCTVFOPTSA-N 0 0 427.504 5.038 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CC[C@H](C(C)(C)C)C2 ZINC000002983884 562931437 /nfs/dbraw/zinc/93/14/37/562931437.db2.gz DHUBEWYHEWPAPH-SFHVURJKSA-N 0 0 438.637 6.086 50 0 IKAARN COc1cccc(CNC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)c1 ZINC000003010157 562931669 /nfs/dbraw/zinc/93/16/69/562931669.db2.gz WQKDQGMWSFFCCI-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)c(C)c1 ZINC000003031765 562931927 /nfs/dbraw/zinc/93/19/27/562931927.db2.gz VRYJSYTUKRKJNS-UHFFFAOYSA-N 0 0 444.572 5.172 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000003039944 562932040 /nfs/dbraw/zinc/93/20/40/562932040.db2.gz WTFOQNNCAHVNJT-HSZRJFAPSA-N 0 0 444.987 6.847 50 0 IKAARN CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000003215413 562932858 /nfs/dbraw/zinc/93/28/58/562932858.db2.gz GGSRDMBNLGROGN-RUZDIDTESA-N 0 0 429.545 5.469 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000003224401 562932989 /nfs/dbraw/zinc/93/29/89/562932989.db2.gz FGUHXNTYWILLSA-GOSISDBHSA-N 0 0 438.858 5.464 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)c(OC)c1 ZINC000003226343 562933024 /nfs/dbraw/zinc/93/30/24/562933024.db2.gz AOMNPOODYNCENC-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000003241510 562933270 /nfs/dbraw/zinc/93/32/70/562933270.db2.gz CHZFJLOPJJNRIH-UHFFFAOYSA-N 0 0 449.557 5.172 50 0 IKAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000003273565 562933550 /nfs/dbraw/zinc/93/35/50/562933550.db2.gz GFHPNFJBLLDEKA-UHFFFAOYSA-N 0 0 441.455 5.028 50 0 IKAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)c1 ZINC000003285864 562933766 /nfs/dbraw/zinc/93/37/66/562933766.db2.gz VQEDXDNVLCOCBU-UHFFFAOYSA-N 0 0 434.517 5.104 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)c1 ZINC000003347297 562934586 /nfs/dbraw/zinc/93/45/86/562934586.db2.gz PKJOYMCOBHRETQ-UHFFFAOYSA-N 0 0 444.512 5.704 50 0 IKAARN CC(=O)c1ccccc1OCCSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000003415505 562935397 /nfs/dbraw/zinc/93/53/97/562935397.db2.gz QXZXCFOEPUFNLF-UHFFFAOYSA-N 0 0 441.622 5.809 50 0 IKAARN Cc1sc2nc(SCc3nnc(-c4cccs4)o3)n(C3CCCC3)c(=O)c2c1C ZINC000003447673 562935989 /nfs/dbraw/zinc/93/59/89/562935989.db2.gz HBXNDDLIIJQAMC-UHFFFAOYSA-N 0 0 444.607 5.594 50 0 aggregator IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3n2)cc1 ZINC000003629598 562937023 /nfs/dbraw/zinc/93/70/23/562937023.db2.gz XKSSGNGHEJAVJI-UHFFFAOYSA-N 0 0 440.425 5.293 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2C)cc1 ZINC000003655284 562937466 /nfs/dbraw/zinc/93/74/66/562937466.db2.gz KIESFIJJOKEZTD-UHFFFAOYSA-N 0 0 429.472 5.307 50 0 IKAARN CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1)C(=O)OC ZINC000003658757 562937507 /nfs/dbraw/zinc/93/75/07/562937507.db2.gz XVFUXASHPCAHOF-HXUWFJFHSA-N 0 0 433.533 5.140 50 0 IKAARN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658750 562937509 /nfs/dbraw/zinc/93/75/09/562937509.db2.gz OACRKUQJSHASPK-INIZCTEOSA-N 0 0 433.533 5.140 50 0 IKAARN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658749 562937518 /nfs/dbraw/zinc/93/75/18/562937518.db2.gz OACRKUQJSHASPK-MRXNPFEDSA-N 0 0 433.533 5.140 50 0 IKAARN CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1)C(=O)OC ZINC000003658756 562937520 /nfs/dbraw/zinc/93/75/20/562937520.db2.gz XVFUXASHPCAHOF-FQEVSTJZSA-N 0 0 433.533 5.140 50 0 IKAARN NC(=O)c1ccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc32)cc1 ZINC000003672574 562937587 /nfs/dbraw/zinc/93/75/87/562937587.db2.gz GUSAPNPQBHFHSX-UHFFFAOYSA-N 0 0 440.837 5.307 50 0 in-vivo IKAARN CCOC(=O)c1c(Nc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000003953672 562939892 /nfs/dbraw/zinc/93/98/92/562939892.db2.gz RSUVJXMLKQOTQU-UHFFFAOYSA-N 0 0 425.488 5.740 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000004295852 562943109 /nfs/dbraw/zinc/94/31/09/562943109.db2.gz JDZKHMFWSIVDHP-AWEZNQCLSA-N 0 0 430.357 5.741 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000006017362 562945866 /nfs/dbraw/zinc/94/58/66/562945866.db2.gz UYIMXARMASWBOV-UHFFFAOYSA-N 0 0 445.367 5.180 50 0 aggregator IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)cc1 ZINC000006753183 562948287 /nfs/dbraw/zinc/94/82/87/562948287.db2.gz FRHCONGRODCGJI-OAQYLSRUSA-N 0 0 425.532 5.312 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)N[C@@H](C)c2c(C)c(C)sc2-n2cccc2)cc1 ZINC000006750471 562948341 /nfs/dbraw/zinc/94/83/41/562948341.db2.gz ZTKFKARSFYXHTE-INIZCTEOSA-N 0 0 425.554 5.144 50 0 IKAARN Cc1ccc2c(C[NH2+]C[C@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006901242 562948531 /nfs/dbraw/zinc/94/85/31/562948531.db2.gz MKHQHWHMTZQTMA-NRFANRHFSA-N 0 0 426.560 5.898 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000006916023 562948551 /nfs/dbraw/zinc/94/85/51/562948551.db2.gz GECVJBKYWDFSFZ-UHFFFAOYSA-N 0 0 427.548 5.554 50 0 IKAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3ccc(OCC)cc3)CC2)c1C ZINC000006942009 562948621 /nfs/dbraw/zinc/94/86/21/562948621.db2.gz QMHKXYWVXKUOAO-UHFFFAOYSA-N 0 0 426.557 5.125 50 0 IKAARN OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)n1ccnc1 ZINC000008442141 562949453 /nfs/dbraw/zinc/94/94/53/562949453.db2.gz SHIHXAYCUFPIKZ-QFIPXVFZSA-N 0 0 443.761 6.369 50 0 IKAARN Fc1ccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000008582978 562949690 /nfs/dbraw/zinc/94/96/90/562949690.db2.gz RQYPZCHFZKHNNF-UHFFFAOYSA-N 0 0 431.858 6.144 50 0 IKAARN COc1ccc(Cl)cc1-n1c(/C=C/c2cccc3ccccc23)nc2ccccc2c1=O ZINC000008583161 562949751 /nfs/dbraw/zinc/94/97/51/562949751.db2.gz MKFYIYVXWVRNCF-DTQAZKPQSA-N 0 0 438.914 6.371 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)Nc2ccc(C)cc2Cl)c1C ZINC000008583638 562949779 /nfs/dbraw/zinc/94/97/79/562949779.db2.gz FQNRSNYYGSEQLR-UHFFFAOYSA-N 0 0 438.955 6.021 50 0 IKAARN COc1cccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000008583759 562949905 /nfs/dbraw/zinc/94/99/05/562949905.db2.gz LJURAWUXFPKGRY-UHFFFAOYSA-N 0 0 429.520 5.251 50 0 IKAARN Cc1ccc(-n2c(=O)c(C(=O)Nc3cccc(Cl)c3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000008583946 562949928 /nfs/dbraw/zinc/94/99/28/562949928.db2.gz KTVZQCRGILSJJL-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cc(C)cc(C)c2)CC1=O ZINC000008587088 562950236 /nfs/dbraw/zinc/95/02/36/562950236.db2.gz ZBVPUPNQSOHMAU-QFIPXVFZSA-N 0 0 433.596 5.628 50 0 IKAARN CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1OC ZINC000008587243 562950256 /nfs/dbraw/zinc/95/02/56/562950256.db2.gz FBMLFDSZOCQWNU-HSZRJFAPSA-N 0 0 437.565 5.061 50 0 IKAARN C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1c2c(sc1-n1cccc1)CCCC2 ZINC000008587618 562950338 /nfs/dbraw/zinc/95/03/38/562950338.db2.gz ZZJRDSABVVRKGF-AWEZNQCLSA-N 0 0 433.499 6.319 50 0 IKAARN CCN(c1nnc(NC(=O)Nc2ccc(Br)c(C)c2)s1)c1ccccc1 ZINC000008587645 562950407 /nfs/dbraw/zinc/95/04/07/562950407.db2.gz YCGXZOHNNUFOMP-UHFFFAOYSA-N 0 0 432.347 5.411 50 0 IKAARN Fc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)nc3c2COc2ccccc2-3)cc1 ZINC000008587751 562950443 /nfs/dbraw/zinc/95/04/43/562950443.db2.gz RYVCKAWPFAJMHZ-UHFFFAOYSA-N 0 0 437.396 6.605 50 0 aggregator IKAARN COc1ccc(-c2cn3c(n2)sc2cc(C(=O)Nc4cc(Cl)ccc4C)ccc23)cc1 ZINC000008588663 562950792 /nfs/dbraw/zinc/95/07/92/562950792.db2.gz SDSLKGBSEJDVKA-UHFFFAOYSA-N 0 0 447.947 6.439 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NC[C@@H](C)c5ccccc5)cc4sc3n2)cc1 ZINC000008588699 562950815 /nfs/dbraw/zinc/95/08/15/562950815.db2.gz AHBQBJDZIUTQGG-QGZVFWFLSA-N 0 0 441.556 5.758 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCCC5=CCCCC5)cc4sc3n2)cc1 ZINC000008588725 562950830 /nfs/dbraw/zinc/95/08/30/562950830.db2.gz VSIGPKLCGJCIGW-UHFFFAOYSA-N 0 0 429.589 6.399 50 0 IKAARN COc1cccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn32)c1OC ZINC000008588796 562950859 /nfs/dbraw/zinc/95/08/59/562950859.db2.gz MYUODMUMGXNTMZ-UHFFFAOYSA-N 0 0 443.528 5.163 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588811 562950872 /nfs/dbraw/zinc/95/08/72/562950872.db2.gz BOBDEULPXFSEPL-NRFANRHFSA-N 0 0 441.531 6.163 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588805 562950884 /nfs/dbraw/zinc/95/08/84/562950884.db2.gz FORCTNDGZIGEKY-UHFFFAOYSA-N 0 0 429.520 5.718 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn32)cc1 ZINC000008588800 562950902 /nfs/dbraw/zinc/95/09/02/562950902.db2.gz FYVPUVUWTULPFW-UHFFFAOYSA-N 0 0 427.529 5.545 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nnc(C)n2c3ccsc3cc12 ZINC000008588973 562950953 /nfs/dbraw/zinc/95/09/53/562950953.db2.gz DKJCLBCDOAHTCT-UHFFFAOYSA-N 0 0 426.954 6.162 50 0 IKAARN CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2cc3oc(C)cc3n21 ZINC000008588936 562950973 /nfs/dbraw/zinc/95/09/73/562950973.db2.gz NYTKRBXYRXBGPA-UHFFFAOYSA-N 0 0 434.443 5.096 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(OC)cc3)c2C(=O)[O-])cc1 ZINC000008589007 562951023 /nfs/dbraw/zinc/95/10/23/562951023.db2.gz GMSYFIRKOLTJLX-UHFFFAOYSA-N 0 0 444.531 5.085 50 0 IKAARN Cc1ccc(Cn2cc(CCC(=O)NCc3ccc(OC(C)C)cc3)c3ccccc32)cc1 ZINC000008589169 562951087 /nfs/dbraw/zinc/95/10/87/562951087.db2.gz ZQCHSNMLRHIHMS-UHFFFAOYSA-N 0 0 440.587 6.034 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000008589252 562951147 /nfs/dbraw/zinc/95/11/47/562951147.db2.gz FSBCXFMYUBCSAT-PMERELPUSA-N 0 0 445.968 5.099 50 0 IKAARN Cc1ccccc1NC(=O)CSc1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12 ZINC000008589580 562951258 /nfs/dbraw/zinc/95/12/58/562951258.db2.gz BVPWUMXVRURHMP-UHFFFAOYSA-N 0 0 437.609 5.326 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 ZINC000008589778 562951340 /nfs/dbraw/zinc/95/13/40/562951340.db2.gz DSOQHJGBNYZTLI-UHFFFAOYSA-N 0 0 434.561 5.839 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2F)oc1NCc1ccccc1)c1ccc(Cl)cc1 ZINC000008590066 562951402 /nfs/dbraw/zinc/95/14/02/562951402.db2.gz LUCBLAAMDMJATQ-UHFFFAOYSA-N 0 0 442.899 5.579 50 0 IKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c1 ZINC000008589873 562951416 /nfs/dbraw/zinc/95/14/16/562951416.db2.gz WPLAAFPDBCOVGU-UHFFFAOYSA-N 0 0 441.314 6.841 50 0 IKAARN O=C(NC1CCCC1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000008590104 562951466 /nfs/dbraw/zinc/95/14/66/562951466.db2.gz HAGJNFIMISYTIS-UHFFFAOYSA-N 0 0 442.588 5.444 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3n2)cc1 ZINC000008590480 562951706 /nfs/dbraw/zinc/95/17/06/562951706.db2.gz ADZXIUJLAMZAKC-UHFFFAOYSA-N 0 0 443.503 5.565 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)COc4cccc(C)c4)ccc3n2)cc1 ZINC000008590492 562951711 /nfs/dbraw/zinc/95/17/11/562951711.db2.gz IIRBOEKIJUVBJE-UHFFFAOYSA-N 0 0 427.504 5.621 50 0 IKAARN COc1ccc(NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)c(OC)c1 ZINC000008591290 562952017 /nfs/dbraw/zinc/95/20/17/562952017.db2.gz LXDHGRFGBVJCPL-UHFFFAOYSA-N 0 0 447.922 6.210 50 0 IKAARN Cc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000008592229 562952283 /nfs/dbraw/zinc/95/22/83/562952283.db2.gz SYZVELBUEBWBRG-JOCHJYFZSA-N 0 0 433.342 6.616 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)cc1 ZINC000008592239 562952305 /nfs/dbraw/zinc/95/23/05/562952305.db2.gz LPOMWZVSQCAEOI-UHFFFAOYSA-N 0 0 428.488 5.880 50 0 IKAARN COc1ccc(OC)c(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1 ZINC000008593053 562952573 /nfs/dbraw/zinc/95/25/73/562952573.db2.gz LBIRJMHTQMLLSD-UHFFFAOYSA-N 0 0 438.936 5.564 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2Cc1ccc(F)cc1 ZINC000008593243 562952619 /nfs/dbraw/zinc/95/26/19/562952619.db2.gz YNDZIBMIOQMAFD-UHFFFAOYSA-N 0 0 448.441 5.037 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3cccc(OC)c3)c2C(=O)[O-])cc1 ZINC000008593516 562952768 /nfs/dbraw/zinc/95/27/68/562952768.db2.gz YLUNSEAJKBJDEW-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000008593646 562952828 /nfs/dbraw/zinc/95/28/28/562952828.db2.gz PPKGLGVHTROSCF-UHFFFAOYSA-N 0 0 428.507 5.768 50 0 aggregator IKAARN CCc1ccccc1N[C@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl ZINC000008594487 562952985 /nfs/dbraw/zinc/95/29/85/562952985.db2.gz ODWNHQDNAQSXGD-NRFANRHFSA-N 0 0 425.866 6.432 50 0 aggregator IKAARN CCc1ccccc1N[C@@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl ZINC000008594488 562952997 /nfs/dbraw/zinc/95/29/97/562952997.db2.gz ODWNHQDNAQSXGD-OAQYLSRUSA-N 0 0 425.866 6.432 50 0 aggregator IKAARN CCCC1=Nc2cc(C(=O)NCCc3ccc(OCC)cc3)ccc2Sc2ccccc21 ZINC000008594674 562953034 /nfs/dbraw/zinc/95/30/34/562953034.db2.gz HGMYAKJWBRASRU-UHFFFAOYSA-N 0 0 444.600 6.443 50 0 aggregator IKAARN CCOc1ccccc1NC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000008594914 562953125 /nfs/dbraw/zinc/95/31/25/562953125.db2.gz RFPQTBLFCYDAEO-UHFFFAOYSA-N 0 0 443.547 5.649 50 0 IKAARN Cc1ccccc1CSc1nc2n(n1)[C@@H](C(C)C)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000008594821 562953126 /nfs/dbraw/zinc/95/31/26/562953126.db2.gz GFWOKRCOVKZGSE-NRFANRHFSA-N 0 0 433.581 5.414 50 0 aggregator IKAARN COc1ccc(N(C)C(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000008594919 562953142 /nfs/dbraw/zinc/95/31/42/562953142.db2.gz GVWKADZDFDIOBZ-UHFFFAOYSA-N 0 0 443.547 5.284 50 0 IKAARN CCc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@@H]3CCCO3)[nH]2)cc1 ZINC000008594963 562953147 /nfs/dbraw/zinc/95/31/47/562953147.db2.gz IRPABUMBRQSCJU-NRFANRHFSA-N 0 0 435.593 5.002 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000008594804 562953158 /nfs/dbraw/zinc/95/31/58/562953158.db2.gz ILCVMIAHFACHPG-UHFFFAOYSA-N 0 0 449.938 5.523 50 0 IKAARN Cc1ccccc1CSc1nc2n(n1)[C@H](C(C)C)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000008594820 562953168 /nfs/dbraw/zinc/95/31/68/562953168.db2.gz GFWOKRCOVKZGSE-OAQYLSRUSA-N 0 0 433.581 5.414 50 0 aggregator IKAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N=C(C)c2cc(C)ccc2S3)cc1OC ZINC000008595071 562953271 /nfs/dbraw/zinc/95/32/71/562953271.db2.gz ZFOHJSXMQVZWAA-UHFFFAOYSA-N 0 0 446.572 5.590 50 0 biogenic IKAARN COc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 ZINC000008595601 562953575 /nfs/dbraw/zinc/95/35/75/562953575.db2.gz NZALAYHRGNGCSX-XMMPIXPASA-N 0 0 429.907 5.797 50 0 aggregator IKAARN CSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000008598081 562954191 /nfs/dbraw/zinc/95/41/91/562954191.db2.gz DMIVZZZOSODKPN-UHFFFAOYSA-N 0 0 440.657 5.383 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2ccccc2OC)nn1-c1ccccc1 ZINC000008599076 562954580 /nfs/dbraw/zinc/95/45/80/562954580.db2.gz XRXYLRANMXOHTD-HSZRJFAPSA-N 0 0 427.504 5.344 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2cccs2)cc1 ZINC000008599315 562954641 /nfs/dbraw/zinc/95/46/41/562954641.db2.gz JLBBZQQOMOARKO-SFHVURJKSA-N 0 0 433.620 5.052 50 0 IKAARN CCN(CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O)c1cccc(C)c1 ZINC000008599369 562954726 /nfs/dbraw/zinc/95/47/26/562954726.db2.gz BKAHTXKKKKLMBY-UHFFFAOYSA-N 0 0 447.604 5.191 50 0 IKAARN COc1ccc(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000008599715 562954835 /nfs/dbraw/zinc/95/48/35/562954835.db2.gz VUJUCBMZFBSWKJ-HHHXNRCGSA-N 0 0 428.507 5.423 50 0 aggregator IKAARN O=C(CSCc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000008599692 562954855 /nfs/dbraw/zinc/95/48/55/562954855.db2.gz PHKAHBQENGNBTO-SANMLTNESA-N 0 0 430.548 5.715 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl)c1cc(OC)ccc1OC ZINC000008599666 562954872 /nfs/dbraw/zinc/95/48/72/562954872.db2.gz NXLUGBWVRLKQSU-UHFFFAOYSA-N 0 0 440.952 6.095 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1 ZINC000008600023 562954898 /nfs/dbraw/zinc/95/48/98/562954898.db2.gz VJCAXFILCXDNKA-HHHXNRCGSA-N 0 0 426.585 5.997 50 0 aggregator IKAARN COc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(SC)cc2)c1 ZINC000008599965 562954906 /nfs/dbraw/zinc/95/49/06/562954906.db2.gz NIRBBYNBZCGFJQ-VWLOTQADSA-N 0 0 428.557 5.686 50 0 IKAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)NCc1ccccc1Cl ZINC000008599813 562954910 /nfs/dbraw/zinc/95/49/10/562954910.db2.gz KHBFJFVZRCTMHJ-UHFFFAOYSA-N 0 0 431.388 5.829 50 0 IKAARN COc1ccc(C)cc1NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000008603427 562955992 /nfs/dbraw/zinc/95/59/92/562955992.db2.gz MPGBRGJNLWJZAG-UHFFFAOYSA-N 0 0 443.547 5.560 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C ZINC000008603262 562956033 /nfs/dbraw/zinc/95/60/33/562956033.db2.gz KTMMTOJNTKBFKA-UHFFFAOYSA-N 0 0 434.927 5.544 50 0 IKAARN CCN(CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccc(C)cc1 ZINC000008603771 562956064 /nfs/dbraw/zinc/95/60/64/562956064.db2.gz GIHZLTLTCPYBRH-UHFFFAOYSA-N 0 0 433.577 5.006 50 0 IKAARN Cc1csc2nc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n12 ZINC000008603727 562956093 /nfs/dbraw/zinc/95/60/93/562956093.db2.gz LEGQCQCEEVXAQW-UHFFFAOYSA-N 0 0 447.560 5.193 50 0 IKAARN CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000008603901 562956177 /nfs/dbraw/zinc/95/61/77/562956177.db2.gz DEYVRHUWGKWJGL-UHFFFAOYSA-N 0 0 430.504 5.117 50 0 IKAARN CC1CCC(Nc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)CC1 ZINC000008603943 562956244 /nfs/dbraw/zinc/95/62/44/562956244.db2.gz ABPVGQKSLXMXQX-UHFFFAOYSA-N 0 0 425.458 5.954 50 0 IKAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(C)c1 ZINC000008604011 562956250 /nfs/dbraw/zinc/95/62/50/562956250.db2.gz VCNNSJGILIAEPH-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000008603928 562956251 /nfs/dbraw/zinc/95/62/51/562956251.db2.gz HYAFBNLXXDKOIC-KRWDZBQOSA-N 0 0 444.487 5.490 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(Cl)c1)[C@H]3c1ccc(F)cc1 ZINC000008604208 562956327 /nfs/dbraw/zinc/95/63/27/562956327.db2.gz OMBJYXMBQDJSMW-DEOSSOPVSA-N 0 0 434.898 5.757 50 0 aggregator IKAARN Fc1ccc([C@@H](Nc2ccc(Cl)c(C(F)(F)F)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000008604665 562956424 /nfs/dbraw/zinc/95/64/24/562956424.db2.gz YLUXMSUUVSLRHA-LJQANCHMSA-N 0 0 447.819 6.749 50 0 aggregator IKAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(C)cc32)cc1 ZINC000008605086 562956560 /nfs/dbraw/zinc/95/65/60/562956560.db2.gz CRTJBRJSYPOQKH-UHFFFAOYSA-N 0 0 445.540 5.232 50 0 IKAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)cc1 ZINC000008605154 562956648 /nfs/dbraw/zinc/95/66/48/562956648.db2.gz MBTAHDQMMQUSJT-FQEVSTJZSA-N 0 0 437.609 5.235 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)NCc3ccccc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000008605961 562956907 /nfs/dbraw/zinc/95/69/07/562956907.db2.gz KXTHJXLUKSHODM-UHFFFAOYSA-N 0 0 434.543 5.439 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cc2ccccc2o1 ZINC000008606268 562956909 /nfs/dbraw/zinc/95/69/09/562956909.db2.gz KEVDLSKUMLVMHT-UHFFFAOYSA-N 0 0 433.261 6.256 50 0 IKAARN CC1(C)Cc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)cc4)cc3Cl)c2C(=O)C1 ZINC000008606280 562956911 /nfs/dbraw/zinc/95/69/11/562956911.db2.gz DAMBNYUXAOFCSR-UHFFFAOYSA-N 0 0 438.332 5.696 50 0 IKAARN Cn1c2cc(C(=O)NCc3cccc(Cl)c3)ccc2nc1SCc1ccc(F)cc1 ZINC000008606364 562956938 /nfs/dbraw/zinc/95/69/38/562956938.db2.gz ACZMQWKGMKSBOK-UHFFFAOYSA-N 0 0 439.943 5.588 50 0 IKAARN CC(C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 ZINC000008606428 562956992 /nfs/dbraw/zinc/95/69/92/562956992.db2.gz PAQDFNNXUNHQGF-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 ZINC000008606552 562957016 /nfs/dbraw/zinc/95/70/16/562957016.db2.gz FMQMWWPLMSZSDC-MHZLTWQESA-N 0 0 437.543 5.694 50 0 IKAARN Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000008607025 562957216 /nfs/dbraw/zinc/95/72/16/562957216.db2.gz OOWRMNBZZTYWMR-UHFFFAOYSA-N 0 0 428.989 5.352 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)cc1OCC ZINC000008607408 562957278 /nfs/dbraw/zinc/95/72/78/562957278.db2.gz UEOPSMLSMQRAGM-UHFFFAOYSA-N 0 0 432.545 6.321 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)cc1OC ZINC000008607274 562957282 /nfs/dbraw/zinc/95/72/82/562957282.db2.gz DNTZOWPFAIEOAZ-UHFFFAOYSA-N 0 0 438.936 5.815 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccc(F)cc2)CCCC4)cc1 ZINC000008609140 562957693 /nfs/dbraw/zinc/95/76/93/562957693.db2.gz IWPYGDIVKZYSMT-HSZRJFAPSA-N 0 0 436.552 5.954 50 0 aggregator IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]2c1ccc(F)cc1 ZINC000008609157 562957714 /nfs/dbraw/zinc/95/77/14/562957714.db2.gz CGAIJMVRRAWDGP-OAQYLSRUSA-N 0 0 446.950 6.730 50 0 IKAARN Cc1c(C(=O)NCc2cccc(Br)c2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000008610019 562957985 /nfs/dbraw/zinc/95/79/85/562957985.db2.gz PSLULAUGOKYOER-UHFFFAOYSA-N 0 0 442.309 5.178 50 0 IKAARN COc1cc(OC)c(NC(=O)N[C@H](C)c2c(C)c(C)sc2-n2cccc2)cc1Cl ZINC000008609952 562957988 /nfs/dbraw/zinc/95/79/88/562957988.db2.gz NDTFGOZUYNATQS-CYBMUJFWSA-N 0 0 433.961 5.709 50 0 aggregator IKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1cccc(Cl)c1)CCCC3 ZINC000008610093 562958113 /nfs/dbraw/zinc/95/81/13/562958113.db2.gz WVPPVMNTYVADMS-UHFFFAOYSA-N 0 0 430.957 5.418 50 0 IKAARN COC(=O)c1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008610524 562958176 /nfs/dbraw/zinc/95/81/76/562958176.db2.gz DFFQPDHOQVVLQG-RUZDIDTESA-N 0 0 439.515 5.443 50 0 IKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008610591 562958235 /nfs/dbraw/zinc/95/82/35/562958235.db2.gz AQZFPFLGPFMMOS-UHFFFAOYSA-N 0 0 440.971 5.582 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 ZINC000008610596 562958265 /nfs/dbraw/zinc/95/82/65/562958265.db2.gz PAGVCEAROFHLCM-UHFFFAOYSA-N 0 0 430.508 5.021 50 0 aggregator IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)NCc1ccc(F)cc1 ZINC000008611545 562958607 /nfs/dbraw/zinc/95/86/07/562958607.db2.gz PICAPGBEKUZWOD-UHFFFAOYSA-N 0 0 435.499 5.569 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1 ZINC000008611478 562958611 /nfs/dbraw/zinc/95/86/11/562958611.db2.gz GDEHZEMXOFDBNN-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1cc(F)ccc1F ZINC000008611481 562958615 /nfs/dbraw/zinc/95/86/15/562958615.db2.gz UODBKRMTDNBGEP-UHFFFAOYSA-N 0 0 439.462 6.030 50 0 IKAARN CCc1ccc(NC(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)cc1 ZINC000008611541 562958631 /nfs/dbraw/zinc/95/86/31/562958631.db2.gz YSOORMWMCGXWPP-UHFFFAOYSA-N 0 0 428.536 5.315 50 0 IKAARN COc1cccc(C(=O)c2c(N)c(-c3nc(-c4ccccc4)cs3)c3ccccn32)c1 ZINC000008611652 562958717 /nfs/dbraw/zinc/95/87/17/562958717.db2.gz MFGFLROWRSIKKC-UHFFFAOYSA-N 0 0 425.513 5.552 50 0 IKAARN Cc1ccc2c(CC(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)coc2c1 ZINC000008611994 562958833 /nfs/dbraw/zinc/95/88/33/562958833.db2.gz UKIUCGGJBDHMGU-UHFFFAOYSA-N 0 0 441.458 6.347 50 0 IKAARN CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)n1 ZINC000008612071 562958970 /nfs/dbraw/zinc/95/89/70/562958970.db2.gz YAGSYYLNDPLWNU-UHFFFAOYSA-N 0 0 437.908 5.472 50 0 IKAARN Cc1c2ccc(Br)cc2oc1C(=O)N(Cc1ccco1)Cc1ccc(C)cc1 ZINC000008612088 562958999 /nfs/dbraw/zinc/95/89/99/562958999.db2.gz ZHOYRBPXSDHRAO-UHFFFAOYSA-N 0 0 438.321 6.248 50 0 aggregator IKAARN CCOc1ccc(N(Cc2ccccc2)C(=O)c2nc(SCC)ncc2Cl)cc1 ZINC000008612078 562959001 /nfs/dbraw/zinc/95/90/01/562959001.db2.gz SKGPUXYBOSKHFH-UHFFFAOYSA-N 0 0 427.957 5.488 50 0 IKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(C)cc3c2C)cc1OCCC ZINC000008612518 562959232 /nfs/dbraw/zinc/95/92/32/562959232.db2.gz GTCOWHUKSHAGPT-UHFFFAOYSA-N 0 0 449.507 5.930 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCCc3ccccc3F)c(=O)oc12 ZINC000008612881 562959330 /nfs/dbraw/zinc/95/93/30/562959330.db2.gz MRQVRMXEIAXNHX-UHFFFAOYSA-N 0 0 449.522 5.494 50 0 IKAARN CCc1cccc2c(-c3ccccc3)nc(SCC(=O)Nc3ccccc3OC)nc12 ZINC000008613046 562959333 /nfs/dbraw/zinc/95/93/33/562959333.db2.gz AICRIJYYWQJNJZ-UHFFFAOYSA-N 0 0 429.545 5.599 50 0 aggregator IKAARN CCCCOc1ccc(C2=Nc3cc(Br)ccc3N=C(c3ccncc3)N2)cc1 ZINC000008613123 562959384 /nfs/dbraw/zinc/95/93/84/562959384.db2.gz HCMXMPDSEDOORC-UHFFFAOYSA-N 0 0 449.352 5.974 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(Cl)cc1 ZINC000008614172 562959586 /nfs/dbraw/zinc/95/95/86/562959586.db2.gz DGQQYPLBGSPCHK-UHFFFAOYSA-N 0 0 440.952 5.588 50 0 IKAARN CCOc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C ZINC000008614270 562959590 /nfs/dbraw/zinc/95/95/90/562959590.db2.gz WNWWOZQPQDOSSJ-UHFFFAOYSA-N 0 0 428.536 5.316 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1 ZINC000008619608 562959921 /nfs/dbraw/zinc/95/99/21/562959921.db2.gz HJJOPRSDUPCUBD-UHFFFAOYSA-N 0 0 443.572 5.659 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)c(Cl)c1 ZINC000008619672 562959951 /nfs/dbraw/zinc/95/99/51/562959951.db2.gz XKPMFPIMTVWIGK-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN Cc1cc2oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c2c2occ(C(C)(C)C)c21 ZINC000008654553 562960205 /nfs/dbraw/zinc/96/02/05/562960205.db2.gz WELMAYVPNYLNDO-UHFFFAOYSA-N 0 0 449.522 5.494 50 0 IKAARN O=C(c1ccc(F)cc1)N1c2nc(-c3ccco3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000008654768 562960269 /nfs/dbraw/zinc/96/02/69/562960269.db2.gz ORKGKGGWZNUWCR-UXHICEINSA-N 0 0 434.515 5.556 50 0 biogenic IKAARN CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl ZINC000008659738 562960278 /nfs/dbraw/zinc/96/02/78/562960278.db2.gz SNGPZFLLHKWETL-UHFFFAOYSA-N 0 0 432.781 6.231 50 0 aggregator IKAARN O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCc1cccc(Cl)c1 ZINC000008667046 562960557 /nfs/dbraw/zinc/96/05/57/562960557.db2.gz OJFAQCUHPNEINO-UHFFFAOYSA-N 0 0 441.969 5.005 50 0 IKAARN Cc1ccc(CSc2nnc(C[S@](=O)Cc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000008670317 562960629 /nfs/dbraw/zinc/96/06/29/562960629.db2.gz DNBBECPIWLKEEU-MHZLTWQESA-N 0 0 440.421 5.172 50 0 IKAARN Cc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008673003 562961074 /nfs/dbraw/zinc/96/10/74/562961074.db2.gz QLWSKXWZAOJUAP-UHFFFAOYSA-N 0 0 425.482 6.061 50 0 aggregator IKAARN Cc1nc(-n2nc(C)c(Cc3ccccc3Cl)c2C)sc1C(=O)N1CCCC[C@@H]1C ZINC000008673592 562961282 /nfs/dbraw/zinc/96/12/82/562961282.db2.gz JJLCHGRGLPRPAW-AWEZNQCLSA-N 0 0 443.016 5.513 50 0 IKAARN O=C(Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1)c1ccco1 ZINC000008673705 562961287 /nfs/dbraw/zinc/96/12/87/562961287.db2.gz GIVUCBXUYKCZAC-UHFFFAOYSA-N 0 0 430.938 5.966 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3cccs3)cc2s1 ZINC000008673842 562961294 /nfs/dbraw/zinc/96/12/94/562961294.db2.gz FYJPQCQDHIHIIA-UHFFFAOYSA-N 0 0 439.587 5.649 50 0 IKAARN Cc1ccc(CSc2nc3ccc(NC(=O)COc4ccccc4F)cc3s2)cc1 ZINC000008673852 562961296 /nfs/dbraw/zinc/96/12/96/562961296.db2.gz CULFYAPPGRHHLN-UHFFFAOYSA-N 0 0 438.549 6.054 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c1 ZINC000008673875 562961345 /nfs/dbraw/zinc/96/13/45/562961345.db2.gz KBSUAXMJBVAHIN-UHFFFAOYSA-N 0 0 439.587 5.649 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000008673976 562961357 /nfs/dbraw/zinc/96/13/57/562961357.db2.gz NMYZDKKALQLCBE-UHFFFAOYSA-N 0 0 428.532 6.383 50 0 IKAARN O=C(c1oc2ccccc2c1C[S@@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000008677821 562961423 /nfs/dbraw/zinc/96/14/23/562961423.db2.gz WTENPTCMVROIBQ-NDEPHWFRSA-N 0 0 429.324 6.278 50 0 IKAARN O=C(c1oc2ccccc2c1C[S@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000008677823 562961457 /nfs/dbraw/zinc/96/14/57/562961457.db2.gz WTENPTCMVROIBQ-MUUNZHRXSA-N 0 0 429.324 6.278 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008683355 562961995 /nfs/dbraw/zinc/96/19/95/562961995.db2.gz DCDYNOIAIQMOPO-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN C[C@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000008683420 562961996 /nfs/dbraw/zinc/96/19/96/562961996.db2.gz LAOSXDFJKGEUSY-RUMSDORHSA-N 0 0 440.330 5.875 50 0 IKAARN O=C(NCCn1cc(SCc2ccccc2F)c2ccccc21)c1c(F)cccc1F ZINC000008683910 562962094 /nfs/dbraw/zinc/96/20/94/562962094.db2.gz XQIPXGBPLYVWAO-UHFFFAOYSA-N 0 0 440.490 5.781 50 0 IKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000008685232 562962415 /nfs/dbraw/zinc/96/24/15/562962415.db2.gz UGZBLEJEPMRJSI-UHFFFAOYSA-N 0 0 449.535 6.543 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)nc1C ZINC000008686051 562962634 /nfs/dbraw/zinc/96/26/34/562962634.db2.gz FCHAMQYISDHWJM-DIWNHFBISA-N 0 0 442.588 5.612 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1c[nH]c2ccccc12 ZINC000008693871 562963702 /nfs/dbraw/zinc/96/37/02/562963702.db2.gz CYFHHWFSOJXAJA-UHFFFAOYSA-N 0 0 447.466 5.120 50 0 aggregator IKAARN O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000008693949 562963721 /nfs/dbraw/zinc/96/37/21/562963721.db2.gz ITAUVHRNEHROPH-GMKDEDGOSA-N 0 0 429.470 5.797 50 0 IKAARN O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000008693950 562963735 /nfs/dbraw/zinc/96/37/35/562963735.db2.gz ITAUVHRNEHROPH-ZFUNDUTOSA-N 0 0 429.470 5.797 50 0 IKAARN O=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)C1CCCCC1 ZINC000008756364 562963905 /nfs/dbraw/zinc/96/39/05/562963905.db2.gz PDVPAADQFOJKLB-UHFFFAOYSA-N 0 0 439.987 5.398 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)cc1 ZINC000008830825 562964864 /nfs/dbraw/zinc/96/48/64/562964864.db2.gz CPKVLBLLLBBOQB-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCc2ccccc2)Sc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000008830494 562964887 /nfs/dbraw/zinc/96/48/87/562964887.db2.gz GUZHTODTKVHHDT-JOCHJYFZSA-N 0 0 444.560 5.020 50 0 IKAARN CCOc1ccc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 ZINC000008830977 562964960 /nfs/dbraw/zinc/96/49/60/562964960.db2.gz AAJYPLYCMHMOJW-UHFFFAOYSA-N 0 0 433.533 5.148 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CCS(=O)(=O)c4ccccc4)cc3)sc2c1 ZINC000008860154 562965274 /nfs/dbraw/zinc/96/52/74/562965274.db2.gz GIFAHHVUDCKIJC-UHFFFAOYSA-N 0 0 436.558 5.074 50 0 IKAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccccc2F)c1 ZINC000008860280 562965326 /nfs/dbraw/zinc/96/53/26/562965326.db2.gz HDSLROBYIMJUPK-UHFFFAOYSA-N 0 0 433.508 5.099 50 0 IKAARN Cc1ccc(-n2c(/C=C/c3cc(Br)cs3)nc3ccccc3c2=O)cc1C ZINC000008860361 562965388 /nfs/dbraw/zinc/96/53/88/562965388.db2.gz MTKWHRWNZIFZPX-MDZDMXLPSA-N 0 0 437.362 5.997 50 0 aggregator IKAARN O=C(Nc1ccc(OC(F)F)cc1)c1nc(SCc2ccccc2F)ncc1Cl ZINC000008916254 562966095 /nfs/dbraw/zinc/96/60/95/562966095.db2.gz ISRHGCNTWCDYGW-UHFFFAOYSA-N 0 0 439.846 5.415 50 0 IKAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009260683 562968486 /nfs/dbraw/zinc/96/84/86/562968486.db2.gz CEFIDCFMTGIGDU-QHCPKHFHSA-N 0 0 426.545 5.607 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000009358460 562969546 /nfs/dbraw/zinc/96/95/46/562969546.db2.gz GSNYPQINNIPFKR-UHFFFAOYSA-N 0 0 445.331 5.651 50 0 aggregator IKAARN c1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 ZINC000009357882 562969549 /nfs/dbraw/zinc/96/95/49/562969549.db2.gz GYFFWCFUVULZGK-HSZRJFAPSA-N 0 0 426.479 6.230 50 0 IKAARN Clc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)n[nH]3)SC2)cc1Cl ZINC000009360650 562969628 /nfs/dbraw/zinc/96/96/28/562969628.db2.gz CCKWMWIBTCPOKM-UHFFFAOYSA-N 0 0 427.320 5.000 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cc4ccccc4nc3Cl)C2)cc1 ZINC000009374858 562969702 /nfs/dbraw/zinc/96/97/02/562969702.db2.gz WJBQYTTXMCSWRD-NRFANRHFSA-N 0 0 431.879 5.481 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000009432913 562970765 /nfs/dbraw/zinc/97/07/65/562970765.db2.gz QJLGPRAQDNVALU-FGZHOGPDSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000009432916 562970778 /nfs/dbraw/zinc/97/07/78/562970778.db2.gz QJLGPRAQDNVALU-VXKWHMMOSA-N 0 0 438.980 5.977 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433031 562970857 /nfs/dbraw/zinc/97/08/57/562970857.db2.gz XQHTUCKCZBJKBT-DNQXCXABSA-N 0 0 432.589 5.886 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(C)C)cc2)[C@@H]1c1cccs1 ZINC000009433038 562970871 /nfs/dbraw/zinc/97/08/71/562970871.db2.gz AYHMXVZVCWAYDM-DQEYMECFSA-N 0 0 446.616 6.447 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009433287 562970930 /nfs/dbraw/zinc/97/09/30/562970930.db2.gz IIZICNJFHVCTGE-DNQXCXABSA-N 0 0 446.572 5.526 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009433497 562970941 /nfs/dbraw/zinc/97/09/41/562970941.db2.gz UXZZPAVIPKXYHQ-LOSJGSFVSA-N 0 0 444.600 6.173 50 0 IKAARN Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433621 562970991 /nfs/dbraw/zinc/97/09/91/562970991.db2.gz WFLDJSCUCODITC-BJKOFHAPSA-N 0 0 430.573 5.919 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000009444027 562971311 /nfs/dbraw/zinc/97/13/11/562971311.db2.gz NFCWSCJCICLRQJ-SFHVURJKSA-N 0 0 437.521 5.498 50 0 aggregator IKAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1)c1cccs1 ZINC000009514859 562972728 /nfs/dbraw/zinc/97/27/28/562972728.db2.gz YIOTZMKEVLNJPS-GOSISDBHSA-N 0 0 433.558 5.587 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598063 562973787 /nfs/dbraw/zinc/97/37/87/562973787.db2.gz XSWHWKWFEYYIIN-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN COc1cc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc(OC)c1OC ZINC000009681067 562975403 /nfs/dbraw/zinc/97/54/03/562975403.db2.gz KVCYDZXQNCUARO-QHCPKHFHSA-N 0 0 438.911 5.133 50 0 IKAARN COc1ccc(Nc2cc(C(=O)N3CCc4ccccc4C3)c3ccccc3n2)c(OC)c1 ZINC000009680707 562975429 /nfs/dbraw/zinc/97/54/29/562975429.db2.gz PKFKKQNWBBTXKW-UHFFFAOYSA-N 0 0 439.515 5.194 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000009717002 562976065 /nfs/dbraw/zinc/97/60/65/562976065.db2.gz QCPOYKIYNQAJRY-UHFFFAOYSA-N 0 0 444.343 5.610 50 0 IKAARN COc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)cs2)cc1 ZINC000009730300 562976222 /nfs/dbraw/zinc/97/62/22/562976222.db2.gz MYQPHYCOYZXZAV-LJQANCHMSA-N 0 0 435.574 5.796 50 0 IKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc(Br)cc1C ZINC000009775687 562976688 /nfs/dbraw/zinc/97/66/88/562976688.db2.gz ASZMFYJYUCZSSP-UHFFFAOYSA-N 0 0 449.732 5.888 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009857816 562977411 /nfs/dbraw/zinc/97/74/11/562977411.db2.gz JZSOQKFLFLVEQU-BJKOFHAPSA-N 0 0 430.573 5.919 50 0 IKAARN COc1ccc(Cl)c2sc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)nc21 ZINC000010381625 562978667 /nfs/dbraw/zinc/97/86/67/562978667.db2.gz LKZKXSNWJQTESF-UHFFFAOYSA-N 0 0 444.919 5.031 50 0 IKAARN Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000011791099 562979269 /nfs/dbraw/zinc/97/92/69/562979269.db2.gz ONYICTGGVHGQPW-XXBNENTESA-N 0 0 437.543 5.078 50 0 IKAARN Cc1ccc(CNc2ncnc3sc(C(=O)N4CCCC[C@H]4c4cccnc4)c(C)c32)o1 ZINC000012128091 562980885 /nfs/dbraw/zinc/98/08/85/562980885.db2.gz CJEZZTBKYSTAFT-IBGZPJMESA-N 0 0 447.564 5.276 50 0 IKAARN CC(=O)Nc1ccc([C@H]2NC(=O)N=C3Nc4ccccc4SC(c4ccccc4)=C32)cc1 ZINC000012379610 562981898 /nfs/dbraw/zinc/98/18/98/562981898.db2.gz PBWPPXSSJRMERN-JOCHJYFZSA-N 0 0 440.528 5.246 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)Oc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013041209 562984227 /nfs/dbraw/zinc/98/42/27/562984227.db2.gz QDAPTCCLPDRQOA-UHFFFAOYSA-N 0 0 433.891 5.448 50 0 IKAARN COc1ccc(CCN(C)C(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1OC ZINC000015846378 563018163 /nfs/dbraw/zinc/01/81/63/563018163.db2.gz OGYMXOZBRWRDBS-UHFFFAOYSA-N 0 0 426.516 5.234 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc(C[S@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000015943581 563020038 /nfs/dbraw/zinc/02/00/38/563020038.db2.gz OPUNGWHGAXWULR-LJAQVGFWSA-N 0 0 448.009 5.076 50 0 IKAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccc(NC(C)=O)s1 ZINC000019770583 563022947 /nfs/dbraw/zinc/02/29/47/563022947.db2.gz HKAMHGCIIKWODY-VWLOTQADSA-N 0 0 431.561 5.344 50 0 IKAARN COc1ccc(-c2nn(C)c3sc(C(=O)Nc4cccc(Cl)c4)cc23)cc1OC ZINC000020233502 563024056 /nfs/dbraw/zinc/02/40/56/563024056.db2.gz BRVLTTFRUZNKRD-UHFFFAOYSA-N 0 0 427.913 5.225 50 0 IKAARN S=c1n(CN2CCCCC2)nc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000067321265 563160985 /nfs/dbraw/zinc/16/09/85/563160985.db2.gz NQRGIOUGWGQKQM-UHFFFAOYSA-N 0 0 429.387 5.276 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1 ZINC000032995624 568614466 /nfs/dbraw/zinc/61/44/66/568614466.db2.gz BAQQZEVCGWJGFO-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)nn2)c1 ZINC000032995625 568614471 /nfs/dbraw/zinc/61/44/71/568614471.db2.gz FJDQAUGBIBRSIO-UHFFFAOYSA-N 0 0 442.950 5.822 50 0 IKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)nn2)c1 ZINC000032995629 568614477 /nfs/dbraw/zinc/61/44/77/568614477.db2.gz KDFJTSMBLUGCRF-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1Cl ZINC000032995622 568614484 /nfs/dbraw/zinc/61/44/84/568614484.db2.gz GIKFCHLVICEORF-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN O=C(NC1CC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033252303 568615327 /nfs/dbraw/zinc/61/53/27/568615327.db2.gz DKFRUQPWZLJCTO-UHFFFAOYSA-N 0 0 448.979 5.318 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000023313345 568618187 /nfs/dbraw/zinc/61/81/87/568618187.db2.gz FCNDSRSAXFXNGX-HXUWFJFHSA-N 0 0 440.927 5.309 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048332805 568625677 /nfs/dbraw/zinc/62/56/77/568625677.db2.gz LVNUNUFKMVYPBU-YADHBBJMSA-N 0 0 442.588 5.250 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1F ZINC000000901566 568636064 /nfs/dbraw/zinc/63/60/64/568636064.db2.gz MJBFTGIGHPCMTM-UHFFFAOYSA-N 0 0 427.448 5.402 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000000901184 568636116 /nfs/dbraw/zinc/63/61/16/568636116.db2.gz GHNKJPCRIUOKAD-CQSZACIVSA-N 0 0 446.498 5.348 50 0 IKAARN COc1ccccc1NC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)c1nc2ccccc2s1 ZINC000000907871 568636531 /nfs/dbraw/zinc/63/65/31/568636531.db2.gz SEWQCGWQERGAGZ-QGZVFWFLSA-N 0 0 448.544 5.287 50 0 IKAARN CC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC(C)C)cc1 ZINC000000915645 568636929 /nfs/dbraw/zinc/63/69/29/568636929.db2.gz VCRKRTIIHLUAOB-SANMLTNESA-N 0 0 445.559 5.773 50 0 biogenic IKAARN Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1CCc1ccccc1 ZINC000000923693 568637790 /nfs/dbraw/zinc/63/77/90/568637790.db2.gz RSHOFCYVSXESAA-UHFFFAOYSA-N 0 0 428.561 5.286 50 0 IKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000025143224 568639617 /nfs/dbraw/zinc/63/96/17/568639617.db2.gz XPNQRYVWXUGRAC-UHFFFAOYSA-N 0 0 449.432 6.082 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(-c2cccc(-c3ccc4c(c3)NC(=O)CO4)n2)c1 ZINC000025142533 568639988 /nfs/dbraw/zinc/63/99/88/568639988.db2.gz LJMVVZGZRBSBIB-UHFFFAOYSA-N 0 0 435.483 5.307 50 0 IKAARN Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000025143664 568640016 /nfs/dbraw/zinc/64/00/16/568640016.db2.gz KUJCBCSNOKPDGZ-AREMUKBSSA-N 0 0 444.481 5.645 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(OC)cc2)c1-c1ccc(F)cc1 ZINC000025142774 568640190 /nfs/dbraw/zinc/64/01/90/568640190.db2.gz HWFXIVJCUDKHEF-UHFFFAOYSA-N 0 0 446.522 6.345 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3C)c2)n(-c2ccccc2F)n1 ZINC000025145647 568640391 /nfs/dbraw/zinc/64/03/91/568640391.db2.gz CFTBMGDHOVZQNH-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000025143902 568640423 /nfs/dbraw/zinc/64/04/23/568640423.db2.gz VVFCRRVQPJGIGW-UHFFFAOYSA-N 0 0 441.840 6.464 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n(-c2cccc(F)c2)n1 ZINC000025144274 568640636 /nfs/dbraw/zinc/64/06/36/568640636.db2.gz CCLFCAKZTFEMHP-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccs3)c2)n(-c2ccccc2C)n1 ZINC000025144371 568640646 /nfs/dbraw/zinc/64/06/46/568640646.db2.gz ZXZUUJFBQZFSOR-UHFFFAOYSA-N 0 0 431.517 5.338 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1-c1ccc(OC)cc1 ZINC000025144026 568640668 /nfs/dbraw/zinc/64/06/68/568640668.db2.gz ZXQOAAHYKXZDMS-UHFFFAOYSA-N 0 0 446.522 6.345 50 0 IKAARN CCOc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(OC)cc1 ZINC000025144280 568640671 /nfs/dbraw/zinc/64/06/71/568640671.db2.gz SGWNCJSIBKVMJS-UHFFFAOYSA-N 0 0 447.922 5.852 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025144382 568640673 /nfs/dbraw/zinc/64/06/73/568640673.db2.gz JTEOHNXQIFKQDF-UHFFFAOYSA-N 0 0 431.539 6.260 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OC(=O)C(C)C)cc3oc2C(F)(F)F)cc1OC ZINC000000939988 568640723 /nfs/dbraw/zinc/64/07/23/568640723.db2.gz YSCFDDANBWDAGG-UHFFFAOYSA-N 0 0 436.382 5.057 50 0 biogenic IKAARN Cc1cc(C(=O)NC2CCCCC2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025145149 568640884 /nfs/dbraw/zinc/64/08/84/568640884.db2.gz IGZUORKBRVRJBW-UHFFFAOYSA-N 0 0 428.511 5.598 50 0 IKAARN O=C(Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1)c1c(F)cccc1F ZINC000025145186 568640948 /nfs/dbraw/zinc/64/09/48/568640948.db2.gz DFQUAANIPKKJFD-UHFFFAOYSA-N 0 0 444.437 5.717 50 0 IKAARN COc1ccc(-c2onc3c2CCc2ccccc2-3)cc1NC(=O)c1c(F)cccc1F ZINC000025144756 568640992 /nfs/dbraw/zinc/64/09/92/568640992.db2.gz MSCPPXYZVPUSPK-UHFFFAOYSA-N 0 0 432.426 5.646 50 0 IKAARN COc1cc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc(OC)c1OC ZINC000025145891 568641066 /nfs/dbraw/zinc/64/10/66/568641066.db2.gz QQJPZJONKCSHLK-KRWDZBQOSA-N 0 0 442.515 5.419 50 0 IKAARN Cc1cc(C(=O)N2CCC[C@H](C)C2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025146674 568641075 /nfs/dbraw/zinc/64/10/75/568641075.db2.gz VVCARAPZCQQGFY-KRWDZBQOSA-N 0 0 428.511 5.407 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025146361 568641114 /nfs/dbraw/zinc/64/11/14/568641114.db2.gz FMOXXXVEFBMEBA-KRWDZBQOSA-N 0 0 433.581 5.490 50 0 IKAARN O=C(c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)N1CCCCCCC1 ZINC000025146819 568641134 /nfs/dbraw/zinc/64/11/34/568641134.db2.gz XSOCKRBAOCYORM-UHFFFAOYSA-N 0 0 430.577 5.614 50 0 IKAARN CCCN(CC1CC1)C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025146810 568641194 /nfs/dbraw/zinc/64/11/94/568641194.db2.gz RPNZXOVQJSEZKG-UHFFFAOYSA-N 0 0 430.577 5.470 50 0 IKAARN Cc1cc(C(=O)N2CCC[C@@H](C)C2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025146671 568641216 /nfs/dbraw/zinc/64/12/16/568641216.db2.gz VVCARAPZCQQGFY-QGZVFWFLSA-N 0 0 428.511 5.407 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025145725 568641232 /nfs/dbraw/zinc/64/12/32/568641232.db2.gz JXCHYFGNYQPJGO-IBGZPJMESA-N 0 0 446.620 6.154 50 0 IKAARN O=C(NCCc1ccc(F)cc1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025147277 568641393 /nfs/dbraw/zinc/64/13/93/568641393.db2.gz FALZVVDVQGJPAY-UHFFFAOYSA-N 0 0 435.502 6.009 50 0 IKAARN CN(CCc1ccccn1)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025148247 568641401 /nfs/dbraw/zinc/64/14/01/568641401.db2.gz VXTDZXQPGQPGPR-UHFFFAOYSA-N 0 0 432.527 5.607 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025148348 568641422 /nfs/dbraw/zinc/64/14/22/568641422.db2.gz CNTBWDCNQKCOJP-OAQYLSRUSA-N 0 0 445.566 6.648 50 0 IKAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025148438 568642166 /nfs/dbraw/zinc/64/21/66/568642166.db2.gz KXIIVDPQFGNZHX-VGOFRKELSA-N 0 0 442.538 5.844 50 0 IKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[nH]c(=O)c21 ZINC000086057141 568642479 /nfs/dbraw/zinc/64/24/79/568642479.db2.gz JFCKRHPBVAPAFM-IBGZPJMESA-N 0 0 449.576 5.024 50 0 IKAARN O=C(NC1Cc2ccccc2C1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025149552 568642700 /nfs/dbraw/zinc/64/27/00/568642700.db2.gz MYDAWBDENYGVED-UHFFFAOYSA-N 0 0 429.523 5.794 50 0 IKAARN Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149607 568642749 /nfs/dbraw/zinc/64/27/49/568642749.db2.gz CKCIHKKGDOAJMB-QZTJIDSGSA-N 0 0 442.538 5.653 50 0 IKAARN Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149610 568642773 /nfs/dbraw/zinc/64/27/73/568642773.db2.gz CKCIHKKGDOAJMB-HDICACEKSA-N 0 0 442.538 5.653 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccc3ccccc31)CC2 ZINC000025149362 568642814 /nfs/dbraw/zinc/64/28/14/568642814.db2.gz IRBNQYSOULCMKK-HHHXNRCGSA-N 0 0 441.502 5.784 50 0 IKAARN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025150306 568643016 /nfs/dbraw/zinc/64/30/16/568643016.db2.gz MDRCTGROPBWBBV-UHFFFAOYSA-N 0 0 439.465 6.105 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)cc1 ZINC000025152017 568643307 /nfs/dbraw/zinc/64/33/07/568643307.db2.gz QMDVXXNEPMXGTA-IBGZPJMESA-N 0 0 447.538 6.397 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448.975 5.972 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)n1 ZINC000001085743 568657421 /nfs/dbraw/zinc/65/74/21/568657421.db2.gz ICJRLDQSBCOFBD-UHFFFAOYSA-N 0 0 434.468 5.582 50 0 IKAARN Cc1nc2cc(NS(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)ccc2s1 ZINC000001100393 568658001 /nfs/dbraw/zinc/65/80/01/568658001.db2.gz YLFNAUNHXQIJQQ-UHFFFAOYSA-N 0 0 430.938 5.851 50 0 IKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc4c(c2)OCO4)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001088935 568658372 /nfs/dbraw/zinc/65/83/72/568658372.db2.gz WDDRYSRFSYUBQA-DEOSSOPVSA-N 0 0 427.435 5.003 50 0 IKAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)CSc4ccccc4)ccc32)cc1 ZINC000001107312 568659201 /nfs/dbraw/zinc/65/92/01/568659201.db2.gz SQYRFYZMJCMGAO-UHFFFAOYSA-N 0 0 445.540 5.848 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000001109338 568659211 /nfs/dbraw/zinc/65/92/11/568659211.db2.gz YYXINYITLHWVLJ-UHFFFAOYSA-N 0 0 425.419 5.037 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000001102457 568660303 /nfs/dbraw/zinc/66/03/03/568660303.db2.gz YTZKFLBJCAVYIO-UHFFFAOYSA-N 0 0 443.496 5.131 50 0 IKAARN COc1cccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2nc4ccccc4s2)c3=O)c1 ZINC000001123192 568661330 /nfs/dbraw/zinc/66/13/30/568661330.db2.gz OWICGZKLXWWNFO-UHFFFAOYSA-N 0 0 443.480 5.606 50 0 IKAARN CCCc1cc2c(cc1OC(=O)c1ccco1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001135543 568662178 /nfs/dbraw/zinc/66/21/78/568662178.db2.gz QIVDCGZGRINQRR-UHFFFAOYSA-N 0 0 446.455 5.386 50 0 biogenic IKAARN CCc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001149365 568662356 /nfs/dbraw/zinc/66/23/56/568662356.db2.gz SLXXNOAMYKANGK-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1Cl ZINC000001157538 568663794 /nfs/dbraw/zinc/66/37/94/568663794.db2.gz CEGNVMGMYMBRLE-UHFFFAOYSA-N 0 0 441.318 5.605 50 0 IKAARN Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2)cc1 ZINC000015230374 568735049 /nfs/dbraw/zinc/73/50/49/568735049.db2.gz GEFFUVWJRLRTFZ-UHFFFAOYSA-N 0 0 436.324 6.933 50 0 IKAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccccc3C)n2)cc1 ZINC000015227354 568735054 /nfs/dbraw/zinc/73/50/54/568735054.db2.gz NDQDLAQNKRJSEX-UHFFFAOYSA-N 0 0 440.532 5.288 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000001171164 568735702 /nfs/dbraw/zinc/73/57/02/568735702.db2.gz DMISGQFNKSAYTA-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1nc2ccccc2s1 ZINC000001176892 568735783 /nfs/dbraw/zinc/73/57/83/568735783.db2.gz BAKDSTOVJIDVJQ-INIZCTEOSA-N 0 0 448.577 5.119 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1 ZINC000034723124 568736409 /nfs/dbraw/zinc/73/64/09/568736409.db2.gz CNIQNVUARZUVBK-UHFFFAOYSA-N 0 0 432.467 5.548 50 0 IKAARN CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 ZINC000001193109 568736719 /nfs/dbraw/zinc/73/67/19/568736719.db2.gz OMINYZYXYNGKGN-UHFFFAOYSA-N 0 0 427.456 5.286 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3cccs3)o2)cs1 ZINC000025592463 568736754 /nfs/dbraw/zinc/73/67/54/568736754.db2.gz URVGWQYNYBOGJE-UHFFFAOYSA-N 0 0 442.591 5.794 50 0 IKAARN O=C1c2ccccc2C(=O)N1c1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1 ZINC000001202858 568737119 /nfs/dbraw/zinc/73/71/19/568737119.db2.gz VRUHZGUXDVJQDK-UHFFFAOYSA-N 0 0 431.904 6.008 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000001204665 568737146 /nfs/dbraw/zinc/73/71/46/568737146.db2.gz FUKIFEYKMIKKNG-DEOSSOPVSA-N 0 0 436.964 5.675 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000137074388 568738441 /nfs/dbraw/zinc/73/84/41/568738441.db2.gz CAYJOPXHPVZJNE-CLJLJLNGSA-N 0 0 435.531 5.212 50 0 IKAARN Cc1ccc(N2C(=O)C(Cl)=C(N(Cc3ccccc3)Cc3ccccc3)C2=O)c(C)c1 ZINC000001766074 568738590 /nfs/dbraw/zinc/73/85/90/568738590.db2.gz WPWMIHWTMIUHJT-UHFFFAOYSA-N 0 0 430.935 5.329 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 ZINC000001760724 568738682 /nfs/dbraw/zinc/73/86/82/568738682.db2.gz WHFQAMRGDHEMGN-IBGZPJMESA-N 0 0 442.650 6.135 50 0 IKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000001213738 568739196 /nfs/dbraw/zinc/73/91/96/568739196.db2.gz TVGAJSJJSAQBCH-HKUYNNGSSA-N 0 0 448.876 6.012 50 0 IKAARN CCOC(=O)c1c(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)sc2c1CCCCC2 ZINC000005948022 568739219 /nfs/dbraw/zinc/73/92/19/568739219.db2.gz RLBVFPBGOLROSC-CQSZACIVSA-N 0 0 446.613 5.871 50 0 IKAARN Clc1ccc(Oc2nc3ccccc3n3c(-c4ccc(Cl)cc4Cl)nnc23)cc1 ZINC000001773527 568739568 /nfs/dbraw/zinc/73/95/68/568739568.db2.gz HYBDXMWFLQSHAA-UHFFFAOYSA-N 0 0 441.705 6.697 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 ZINC000006016163 568740039 /nfs/dbraw/zinc/74/00/39/568740039.db2.gz DHBOQZXTVSPFEN-UHFFFAOYSA-N 0 0 429.589 6.720 50 0 IKAARN Cc1c(NC(=O)c2nc(C(C)C)cs2)cccc1C(=O)N1CCc2sccc2C1 ZINC000063474712 568740041 /nfs/dbraw/zinc/74/00/41/568740041.db2.gz QZAIUTXUZQYDJG-UHFFFAOYSA-N 0 0 425.579 5.087 50 0 IKAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1cc(Cl)ccc1Cl ZINC000001789826 568740072 /nfs/dbraw/zinc/74/00/72/568740072.db2.gz BAVJQLIVVPIYKX-SNVBAGLBSA-N 0 0 438.405 5.996 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 ZINC000006023355 568740240 /nfs/dbraw/zinc/74/02/40/568740240.db2.gz NPEUXSMVPWBZJU-GOSISDBHSA-N 0 0 439.621 6.682 50 0 IKAARN O=C(c1ccccc1)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000006017293 568740252 /nfs/dbraw/zinc/74/02/52/568740252.db2.gz BABSUFBKNMIDHL-NDEPHWFRSA-N 0 0 446.575 7.460 50 0 IKAARN CC(=O)Nc1sc(-c2nc(-c3cccs3)c(NC(C)=O)s2)nc1-c1cccs1 ZINC000001797360 568740445 /nfs/dbraw/zinc/74/04/45/568740445.db2.gz QFIMVMFZTGSMNE-UHFFFAOYSA-N 0 0 446.604 5.640 50 0 IKAARN COc1cc([C@@H](CC(=O)c2ccc(Cl)cc2)Sc2ccccc2)cc(OC)c1OC ZINC000001798817 568740471 /nfs/dbraw/zinc/74/04/71/568740471.db2.gz KUTRVUAVMKNPRG-HSZRJFAPSA-N 0 0 442.964 6.472 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000001823575 568741686 /nfs/dbraw/zinc/74/16/86/568741686.db2.gz MDNMRTAKYJBLRL-UHFFFAOYSA-N 0 0 428.623 5.889 50 0 IKAARN CCN(CC)[P@]1(=Nc2ccc(C)c(C)c2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012492252 568741927 /nfs/dbraw/zinc/74/19/27/568741927.db2.gz NXIZAKIOXIQVEU-ZEGXAZIMSA-N 0 0 449.583 6.878 50 0 IKAARN CCCCCCc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2oc1=O ZINC000001902816 568742127 /nfs/dbraw/zinc/74/21/27/568742127.db2.gz UOVOKJJLYAQAEL-UHFFFAOYSA-N 0 0 428.912 6.185 50 0 IKAARN CCCc1cc2c(cc1OCc1cc3c(cc1Cl)OCO3)oc(=O)cc2-c1ccccc1 ZINC000001902828 568742138 /nfs/dbraw/zinc/74/21/38/568742138.db2.gz VBJOCPDELSVZNP-UHFFFAOYSA-N 0 0 448.902 6.374 50 0 IKAARN Cc1ccc(C)c(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001900143 568742256 /nfs/dbraw/zinc/74/22/56/568742256.db2.gz DIABFGPHYILLDG-UHFFFAOYSA-N 0 0 432.951 6.193 50 0 IKAARN Cc1ccnc(NC(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)c1 ZINC000012524514 568742418 /nfs/dbraw/zinc/74/24/18/568742418.db2.gz JVJGKSSVQHZLAH-UHFFFAOYSA-N 0 0 449.649 6.669 50 0 IKAARN C[C@@H](Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012526483 568742421 /nfs/dbraw/zinc/74/24/21/568742421.db2.gz KDWFEDCUIFBJAE-LJQANCHMSA-N 0 0 441.531 5.376 50 0 IKAARN CO[C@@H]1C=C2CC[C@@H]3[C@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000003984164 568742545 /nfs/dbraw/zinc/74/25/45/568742545.db2.gz BNOQCYMVNKKTQV-YRMVJGCMSA-N 0 0 430.658 5.221 50 0 biogenic IKAARN CCc1c(C)sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1C(=O)OC ZINC000002082055 568742549 /nfs/dbraw/zinc/74/25/49/568742549.db2.gz QYNDJZUTFJASSA-HXUWFJFHSA-N 0 0 425.575 5.878 50 0 IKAARN CCOC(OCC)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC ZINC000002072463 568742557 /nfs/dbraw/zinc/74/25/57/568742557.db2.gz QHNISDFMQFUUQN-UHFFFAOYSA-N 0 0 444.549 6.437 50 0 IKAARN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002079097 568742585 /nfs/dbraw/zinc/74/25/85/568742585.db2.gz ZIPYXYZTPNOBEJ-UHFFFAOYSA-N 0 0 444.490 6.373 50 0 IKAARN CCCCCN(CCCCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002087379 568742591 /nfs/dbraw/zinc/74/25/91/568742591.db2.gz KMCHJGFYJDEQIC-UHFFFAOYSA-N 0 0 432.564 6.453 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 ZINC000002105312 568742766 /nfs/dbraw/zinc/74/27/66/568742766.db2.gz NFMASVHYCWZJNI-UHFFFAOYSA-N 0 0 438.527 6.139 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2ccc(Br)cc2)c1C ZINC000003220065 568743129 /nfs/dbraw/zinc/74/31/29/568743129.db2.gz LMQAOTQCYQPSGC-UHFFFAOYSA-N 0 0 438.321 5.849 50 0 IKAARN Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 ZINC000003218393 568743211 /nfs/dbraw/zinc/74/32/11/568743211.db2.gz PSJHKDLISVFPEZ-UHFFFAOYSA-N 0 0 432.574 5.615 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)Nc1ccccc1C(F)(F)F ZINC000003229344 568743278 /nfs/dbraw/zinc/74/32/78/568743278.db2.gz GJQBEVYBXRJEDZ-UHFFFAOYSA-N 0 0 445.491 6.108 50 0 IKAARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccccc1Sc1ccccc1 ZINC000003230215 568743309 /nfs/dbraw/zinc/74/33/09/568743309.db2.gz DXQBNHCRVVOXQX-UHFFFAOYSA-N 0 0 425.531 5.044 50 0 IKAARN CN(C(=O)COc1ccc(Cl)cc1Cl)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000003230746 568743331 /nfs/dbraw/zinc/74/33/31/568743331.db2.gz DFOXJKLDYDKMCR-OAQYLSRUSA-N 0 0 440.754 5.523 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CCC(C(C)(C)C)CC3)ccc21 ZINC000003235108 568743360 /nfs/dbraw/zinc/74/33/60/568743360.db2.gz WENDMLAFJMCUIN-UHFFFAOYSA-N 0 0 434.580 6.149 50 0 IKAARN O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003239184 568743511 /nfs/dbraw/zinc/74/35/11/568743511.db2.gz IVRDQXKSBMXHHO-UHFFFAOYSA-N 0 0 427.498 5.749 50 0 IKAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000003238583 568743539 /nfs/dbraw/zinc/74/35/39/568743539.db2.gz QTLVDEGCCCORNI-UHFFFAOYSA-N 0 0 427.378 5.125 50 0 IKAARN O=C(c1ccco1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1 ZINC000003243506 568743555 /nfs/dbraw/zinc/74/35/55/568743555.db2.gz OIGYVLHMWHMCMK-FQEVSTJZSA-N 0 0 441.483 5.261 50 0 IKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003241543 568743562 /nfs/dbraw/zinc/74/35/62/568743562.db2.gz LTPMUDVDHUFELN-UHFFFAOYSA-N 0 0 431.520 6.917 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1)c1cccs1 ZINC000012541530 568743879 /nfs/dbraw/zinc/74/38/79/568743879.db2.gz NFEICRIACUFXTC-UHFFFAOYSA-N 0 0 430.533 5.329 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCCc1ccccc1)c1ccccc1 ZINC000003254640 568744016 /nfs/dbraw/zinc/74/40/16/568744016.db2.gz CSGNPRMSUCZWQG-UHFFFAOYSA-N 0 0 438.936 5.482 50 0 IKAARN CCSc1nnc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)s1 ZINC000003254859 568744043 /nfs/dbraw/zinc/74/40/43/568744043.db2.gz RQEMLMAUZSJLFY-UHFFFAOYSA-N 0 0 435.987 5.265 50 0 IKAARN CCOc1ccc2nc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000012541731 568744049 /nfs/dbraw/zinc/74/40/49/568744049.db2.gz ZZVQPLKGFINQGS-NSDYXAQKSA-N 0 0 430.639 5.508 50 0 IKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2-c2ccccc2C)no1 ZINC000012541752 568744078 /nfs/dbraw/zinc/74/40/78/568744078.db2.gz QUHHTQVZRUUGBA-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1 ZINC000003258113 568744101 /nfs/dbraw/zinc/74/41/01/568744101.db2.gz DCHLUILRSUCREO-UHFFFAOYSA-N 0 0 433.533 5.013 50 0 IKAARN CN(c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000003265569 568744265 /nfs/dbraw/zinc/74/42/65/568744265.db2.gz XFFBNBQCJRJYCV-UHFFFAOYSA-N 0 0 430.957 5.597 50 0 IKAARN O=C(c1ccccc1)N(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1ccccc1 ZINC000003272352 568744840 /nfs/dbraw/zinc/74/48/40/568744840.db2.gz FNXWAJNVJLHPNR-UHFFFAOYSA-N 0 0 443.550 6.382 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(Br)cc3Cl)cc12 ZINC000003284545 568744981 /nfs/dbraw/zinc/74/49/81/568744981.db2.gz NRECIYDTZDMOHE-UHFFFAOYSA-N 0 0 447.741 6.031 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2ncnc3sc4c(c32)CCC4)c2ccccc2)c1 ZINC000003288961 568745131 /nfs/dbraw/zinc/74/51/31/568745131.db2.gz LGMGZAFHJGILIM-QFIPXVFZSA-N 0 0 445.613 6.269 50 0 IKAARN CC(C)(C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000003300771 568745454 /nfs/dbraw/zinc/74/54/54/568745454.db2.gz VZJMBHQKTPIOGL-UHFFFAOYSA-N 0 0 439.972 5.076 50 0 IKAARN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 ZINC000003303370 568745640 /nfs/dbraw/zinc/74/56/40/568745640.db2.gz GOWKIXZZVZDUNT-LIRRHRJNSA-N 0 0 428.508 5.345 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000003341179 568746526 /nfs/dbraw/zinc/74/65/26/568746526.db2.gz GMXPDTZDKRMBKW-UHFFFAOYSA-N 0 0 428.311 5.086 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1c(Cl)cccc1Cl)c1cccs1 ZINC000003334683 568746562 /nfs/dbraw/zinc/74/65/62/568746562.db2.gz BPBTYIBPAIJNHD-SFHVURJKSA-N 0 0 434.344 5.139 50 0 IKAARN CN(c1ccc2ccccc2c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003357327 568746977 /nfs/dbraw/zinc/74/69/77/568746977.db2.gz BCEGXVDNPNIIIF-UHFFFAOYSA-N 0 0 433.373 5.703 50 0 IKAARN CCN(CC)[P@@](/C=C1/N(C)c2ccccc2C1(C)C)(=Nc1ccccc1)c1ccccc1 ZINC000012559340 568747167 /nfs/dbraw/zinc/74/71/67/568747167.db2.gz YYMRIGWQLKKTNY-HUNISFLFSA-N 0 0 443.575 7.371 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000044086043 568747319 /nfs/dbraw/zinc/74/73/19/568747319.db2.gz SYCKUTMQOBMGNN-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Fc1ccc(CSc2ncc(-c3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 ZINC000044086118 568747368 /nfs/dbraw/zinc/74/73/68/568747368.db2.gz NTHLUUPAVTXGAA-UHFFFAOYSA-N 0 0 429.347 7.278 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087519 568747554 /nfs/dbraw/zinc/74/75/54/568747554.db2.gz ZFYKTJUZFCVLCA-UHFFFAOYSA-N 0 0 441.984 5.306 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087572 568747586 /nfs/dbraw/zinc/74/75/86/568747586.db2.gz REHMXZDQEWRCLA-UHFFFAOYSA-N 0 0 447.991 6.540 50 0 IKAARN CNC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 ZINC000044087409 568747603 /nfs/dbraw/zinc/74/76/03/568747603.db2.gz YTPYWDUMJUMOOR-UHFFFAOYSA-N 0 0 426.756 5.338 50 0 IKAARN CC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000044087190 568747613 /nfs/dbraw/zinc/74/76/13/568747613.db2.gz MNXNUSVIPMZQDN-UHFFFAOYSA-N 0 0 448.361 5.058 50 0 IKAARN Cc1cccc(-n2nnnc2S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000003368984 568747699 /nfs/dbraw/zinc/74/76/99/568747699.db2.gz JWXLPKRTDUKMLK-QHCPKHFHSA-N 0 0 425.517 5.168 50 0 IKAARN CC(C)Sc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087844 568747712 /nfs/dbraw/zinc/74/77/12/568747712.db2.gz PYILGIDLYAPBSJ-UHFFFAOYSA-N 0 0 431.310 7.365 50 0 IKAARN COc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088145 568747819 /nfs/dbraw/zinc/74/78/19/568747819.db2.gz IDBGDHOVLUTJIS-UHFFFAOYSA-N 0 0 438.499 6.442 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000044087680 568747825 /nfs/dbraw/zinc/74/78/25/568747825.db2.gz ITULRVCUDWKNOZ-UHFFFAOYSA-N 0 0 431.483 5.273 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCc2ccccc2)cc1 ZINC000044086618 568747957 /nfs/dbraw/zinc/74/79/57/568747957.db2.gz IYCBVOUXKPVTGW-UHFFFAOYSA-N 0 0 425.384 7.447 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCC(=O)NC(C)C)cc1 ZINC000044086654 568747971 /nfs/dbraw/zinc/74/79/71/568747971.db2.gz HOXQLCKDEUCFTH-UHFFFAOYSA-N 0 0 444.398 5.227 50 0 IKAARN CC(C)Sc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088272 568747984 /nfs/dbraw/zinc/74/79/84/568747984.db2.gz XXMYSMPINKPILR-UHFFFAOYSA-N 0 0 439.325 6.404 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000044086432 568747995 /nfs/dbraw/zinc/74/79/95/568747995.db2.gz YVONHMXBCCRUPM-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(C)cc2)cc1 ZINC000044086505 568748030 /nfs/dbraw/zinc/74/80/30/568748030.db2.gz XXPASCXLHJKXEZ-UHFFFAOYSA-N 0 0 439.584 5.838 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccc(F)cc2)cc1 ZINC000044087027 568748169 /nfs/dbraw/zinc/74/81/69/568748169.db2.gz IWIGBUBQSJPQEU-UHFFFAOYSA-N 0 0 447.535 5.726 50 0 IKAARN Cc1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1-c1ccccc1 ZINC000003416374 568748690 /nfs/dbraw/zinc/74/86/90/568748690.db2.gz NOESVSYOZZKXNE-UHFFFAOYSA-N 0 0 427.744 5.267 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)n1C1CC1 ZINC000003412570 568748726 /nfs/dbraw/zinc/74/87/26/568748726.db2.gz KUZZRYJOTZHLHO-UHFFFAOYSA-N 0 0 432.343 5.227 50 0 IKAARN Clc1ccc(-c2csc3ncnc(Sc4nnc(C5CCCCC5)o4)c23)cc1 ZINC000003416896 568748767 /nfs/dbraw/zinc/74/87/67/568748767.db2.gz YTVVXLSPXQTQAB-UHFFFAOYSA-N 0 0 428.970 6.594 50 0 IKAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1C(=O)c1ccccc1 ZINC000003418259 568748768 /nfs/dbraw/zinc/74/87/68/568748768.db2.gz JFVMPYGFTVPGEM-JOCHJYFZSA-N 0 0 441.556 5.303 50 0 IKAARN COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCc1c(C)noc1C ZINC000003425857 568748828 /nfs/dbraw/zinc/74/88/28/568748828.db2.gz GNNLDLGIXSHCNJ-UHFFFAOYSA-N 0 0 444.487 5.924 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000003427505 568748927 /nfs/dbraw/zinc/74/89/27/568748927.db2.gz GYAFLSGODYNCGT-MRXNPFEDSA-N 0 0 429.520 5.506 50 0 IKAARN CCOc1ccc(-c2csc3c2ncn(Cc2ccccc2Cl)c3=O)cc1OCC ZINC000044167067 568749220 /nfs/dbraw/zinc/74/92/20/568749220.db2.gz BGRHEFKLQJKSPD-UHFFFAOYSA-N 0 0 440.952 5.624 50 0 IKAARN Cc1ccc(-c2noc(Cn3ccn4nc(-c5cccc6ccccc65)cc4c3=O)n2)cc1C ZINC000044166941 568749237 /nfs/dbraw/zinc/74/92/37/568749237.db2.gz RKIASGGUTSGWBW-UHFFFAOYSA-N 0 0 447.498 5.031 50 0 IKAARN CCOc1ccc(-c2csc3c2ncn(Cc2ccc(Cl)cc2)c3=O)cc1OCC ZINC000044167078 568749311 /nfs/dbraw/zinc/74/93/11/568749311.db2.gz BSRQSEIMBKYAHF-UHFFFAOYSA-N 0 0 440.952 5.624 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)c1 ZINC000003450414 568749564 /nfs/dbraw/zinc/74/95/64/568749564.db2.gz RVAYLWWTLYPDCW-UHFFFAOYSA-N 0 0 439.320 5.152 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)c1 ZINC000003443193 568749654 /nfs/dbraw/zinc/74/96/54/568749654.db2.gz RIXLMCQBNHZMAT-HSZRJFAPSA-N 0 0 448.588 7.038 50 0 IKAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000003442580 568749662 /nfs/dbraw/zinc/74/96/62/568749662.db2.gz IQTNLMCDRJAHSM-UHFFFAOYSA-N 0 0 434.879 5.119 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2cc(F)ccc2F)c(C)c1 ZINC000003451512 568749839 /nfs/dbraw/zinc/74/98/39/568749839.db2.gz RJHXPXSDSJWFNG-UHFFFAOYSA-N 0 0 436.483 5.256 50 0 IKAARN Cc1ccc(Cc2sc(Br)nc2NC(=O)CNc2ccc(C)cc2)cc1 ZINC000003491345 568750207 /nfs/dbraw/zinc/75/02/07/568750207.db2.gz GHQRLZZEAIWRJF-UHFFFAOYSA-N 0 0 430.371 5.164 50 0 IKAARN COc1ccc(N[P@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)cc1 ZINC000012575177 568750713 /nfs/dbraw/zinc/75/07/13/568750713.db2.gz UUBQFIXBSNZLRK-SWRBISBUSA-N 0 0 444.298 7.860 50 0 IKAARN COc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)c(OC)c1 ZINC000003581695 568751125 /nfs/dbraw/zinc/75/11/25/568751125.db2.gz DELMOHBJVMJPIN-UHFFFAOYSA-N 0 0 446.572 5.746 50 0 IKAARN Cc1ccccc1Cn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21 ZINC000003581702 568751137 /nfs/dbraw/zinc/75/11/37/568751137.db2.gz GRYNPNWECNAXJF-UHFFFAOYSA-N 0 0 443.597 6.339 50 0 IKAARN CCCC1CCC(c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)CC1 ZINC000003584821 568751371 /nfs/dbraw/zinc/75/13/71/568751371.db2.gz GHFGKUJYRUJJNC-UHFFFAOYSA-N 0 0 425.370 7.240 50 0 IKAARN C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(I)cc2)C1=O ZINC000003622466 568751581 /nfs/dbraw/zinc/75/15/81/568751581.db2.gz GENVCRXISUNFSZ-CDJWAVJASA-N 0 0 443.394 5.692 50 0 IKAARN CCCc1nc2c(sc(=S)n2-c2ccccc2)c(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000003629036 568751853 /nfs/dbraw/zinc/75/18/53/568751853.db2.gz HWEHIMRBRBOCTP-GOSISDBHSA-N 0 0 432.618 6.158 50 0 IKAARN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000003643845 568752462 /nfs/dbraw/zinc/75/24/62/568752462.db2.gz HQCWMNGAYJCANW-HXUWFJFHSA-N 0 0 445.544 5.641 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@@H](CC)C(=O)OC)cc1 ZINC000003658787 568752829 /nfs/dbraw/zinc/75/28/29/568752829.db2.gz APDKFHHHPHAMND-NRFANRHFSA-N 0 0 447.560 5.530 50 0 IKAARN Cc1ccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c3ccccc32)cc1 ZINC000003659146 568752854 /nfs/dbraw/zinc/75/28/54/568752854.db2.gz JBGGRDJGPKTHLK-ZVHZXABRSA-N 0 0 439.490 5.230 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655458 568752952 /nfs/dbraw/zinc/75/29/52/568752952.db2.gz NFJXFUHQQLOTRQ-OAHLLOKOSA-N 0 0 433.435 5.218 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000003655331 568752971 /nfs/dbraw/zinc/75/29/71/568752971.db2.gz RSQRAPVXGUMXCS-UHFFFAOYSA-N 0 0 449.890 6.923 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc1 ZINC000003655444 568753012 /nfs/dbraw/zinc/75/30/12/568753012.db2.gz FCKHGAPKNLIMQF-UHFFFAOYSA-N 0 0 441.527 6.794 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655594 568753144 /nfs/dbraw/zinc/75/31/44/568753144.db2.gz PFBNQECHCTWMDM-UHFFFAOYSA-N 0 0 443.886 6.933 50 0 IKAARN CCc1ccc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655609 568753155 /nfs/dbraw/zinc/75/31/55/568753155.db2.gz UEKWBKAEKZIFJQ-MRXNPFEDSA-N 0 0 447.918 6.286 50 0 IKAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655584 568753161 /nfs/dbraw/zinc/75/31/61/568753161.db2.gz GMKNQEMBAHHEFI-HXUWFJFHSA-N 0 0 435.426 5.738 50 0 IKAARN CCc1ccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655608 568753166 /nfs/dbraw/zinc/75/31/66/568753166.db2.gz UEKWBKAEKZIFJQ-INIZCTEOSA-N 0 0 447.918 6.286 50 0 IKAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655536 568753186 /nfs/dbraw/zinc/75/31/86/568753186.db2.gz RNRJAUIKCOJUQP-AWEZNQCLSA-N 0 0 437.854 5.862 50 0 IKAARN Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658703 568753290 /nfs/dbraw/zinc/75/32/90/568753290.db2.gz SWBPTHQEBNDGLD-UHFFFAOYSA-N 0 0 425.532 6.827 50 0 IKAARN CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC)C(=O)OC ZINC000003658725 568753388 /nfs/dbraw/zinc/75/33/88/568753388.db2.gz CCPGULAPWHKWQR-FQEVSTJZSA-N 0 0 433.533 5.140 50 0 IKAARN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 ZINC000003658669 568753411 /nfs/dbraw/zinc/75/34/11/568753411.db2.gz GMPTYJBHCDGUNE-UHFFFAOYSA-N 0 0 425.532 6.827 50 0 IKAARN CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC)C(=O)OC ZINC000003658726 568753627 /nfs/dbraw/zinc/75/36/27/568753627.db2.gz CCPGULAPWHKWQR-HXUWFJFHSA-N 0 0 433.533 5.140 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2SCc1cccc(F)c1 ZINC000003658731 568753637 /nfs/dbraw/zinc/75/36/37/568753637.db2.gz MMBDMDJUJQGLOK-UHFFFAOYSA-N 0 0 441.531 6.528 50 0 IKAARN O=C1OC(c2ccccc2Br)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000003663219 568753657 /nfs/dbraw/zinc/75/36/57/568753657.db2.gz BNFXXAUOGUMVPK-KGENOOAVSA-N 0 0 434.289 5.373 50 0 IKAARN Cc1ccc(C(=O)Sc2sc(=S)sc2SC(=O)c2ccc(C)cc2)cc1 ZINC000003667393 568753904 /nfs/dbraw/zinc/75/39/04/568753904.db2.gz JZHSWUVYWBCVEQ-UHFFFAOYSA-N 0 0 434.654 7.021 50 0 IKAARN Cc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)c(Cl)cc1Cl ZINC000003670644 568754095 /nfs/dbraw/zinc/75/40/95/568754095.db2.gz UUFXBFXNUUFYOH-UHFFFAOYSA-N 0 0 437.131 5.925 50 0 IKAARN C[C@H]1S[C@@H](c2ccc(Cl)c(Cl)c2)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000015277093 568754258 /nfs/dbraw/zinc/75/42/58/568754258.db2.gz IKBYXAGYPKOQAO-PEBXRYMYSA-N 0 0 430.356 6.953 50 0 IKAARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000003672420 568754259 /nfs/dbraw/zinc/75/42/59/568754259.db2.gz CFOHICJDVBLLHQ-WMZHIEFXSA-N 0 0 444.314 5.544 50 0 IKAARN C[C@@H]1S[C@H](c2ccc(Cl)c(Cl)c2)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000015277095 568754262 /nfs/dbraw/zinc/75/42/62/568754262.db2.gz IKBYXAGYPKOQAO-RCDICMHDSA-N 0 0 430.356 6.953 50 0 IKAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003765745 568754265 /nfs/dbraw/zinc/75/42/65/568754265.db2.gz IACXFUIFCSTVBZ-UHFFFAOYSA-N 0 0 429.332 5.928 50 0 IKAARN CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000003765765 568754307 /nfs/dbraw/zinc/75/43/07/568754307.db2.gz FMBNPTPQRBPGNT-VCHYOVAHSA-N 0 0 438.332 6.032 50 0 IKAARN COc1ccc2ccccc2c1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000003767933 568754481 /nfs/dbraw/zinc/75/44/81/568754481.db2.gz BQVRZSAYYBRHED-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2cc1C ZINC000015317900 568758136 /nfs/dbraw/zinc/75/81/36/568758136.db2.gz JCXSTDDCQWLFFL-UHFFFAOYSA-N 0 0 431.561 5.246 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc(OC)c1OC ZINC000263585495 568759045 /nfs/dbraw/zinc/75/90/45/568759045.db2.gz JHAHJXFQDCUZNQ-LJQANCHMSA-N 0 0 442.515 5.190 50 0 biogenic IKAARN COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc(OC)c1OC ZINC000263585494 568759162 /nfs/dbraw/zinc/75/91/62/568759162.db2.gz JHAHJXFQDCUZNQ-IBGZPJMESA-N 0 0 442.515 5.190 50 0 biogenic IKAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1OC ZINC000263586972 568760119 /nfs/dbraw/zinc/76/01/19/568760119.db2.gz AKVJMSDUBHWHQG-LJQANCHMSA-N 0 0 430.479 5.320 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(F)cc1Cl)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263587149 568760228 /nfs/dbraw/zinc/76/02/28/568760228.db2.gz CSYIFABQBNERKR-OAQYLSRUSA-N 0 0 437.902 5.215 50 0 IKAARN COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1OC ZINC000004073367 568760389 /nfs/dbraw/zinc/76/03/89/568760389.db2.gz KKSMWVZGZWUOSG-FTJBHMTQSA-N 0 0 433.633 5.700 50 0 biogenic IKAARN COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1OC ZINC000004073365 568760398 /nfs/dbraw/zinc/76/03/98/568760398.db2.gz KKSMWVZGZWUOSG-UIOOFZCWSA-N 0 0 433.633 5.700 50 0 biogenic IKAARN CCCC(=O)Oc1ccccc1N(C(=O)CCC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001234483 568760557 /nfs/dbraw/zinc/76/05/57/568760557.db2.gz RPMBMLGMTZBLBU-UHFFFAOYSA-N 0 0 439.533 5.067 50 0 IKAARN O=C(N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1csc(-c2ccccc2F)n1 ZINC000078418066 568761217 /nfs/dbraw/zinc/76/12/17/568761217.db2.gz MWVDJYGRTHBXHL-FQEVSTJZSA-N 0 0 425.435 5.142 50 0 IKAARN O=C(c1ccccc1)[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 ZINC000015379139 568761238 /nfs/dbraw/zinc/76/12/38/568761238.db2.gz MMORBMNHIGBMFN-OAQYLSRUSA-N 0 0 432.570 5.580 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3c2C)cc1 ZINC000015390604 568761400 /nfs/dbraw/zinc/76/14/00/568761400.db2.gz HBOIOKZICDICHR-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN CCc1cc([C@@H](c2ccccc2Cl)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000001236008 568762339 /nfs/dbraw/zinc/76/23/39/568762339.db2.gz JUVOPAQSSMRCSV-JOCHJYFZSA-N 0 0 440.996 5.638 50 0 IKAARN CC(=O)Oc1cc2c(oc(C)c2C(=O)NCCc2c[nH]c3ccccc23)c2ccccc12 ZINC000001236059 568762367 /nfs/dbraw/zinc/76/23/67/568762367.db2.gz RGJXMJRJMSPTLA-UHFFFAOYSA-N 0 0 426.472 5.274 50 0 IKAARN C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N(C)Cc1ccccc1N1CCCC1 ZINC000012651018 568774120 /nfs/dbraw/zinc/77/41/20/568774120.db2.gz IXOJOGRGSKXZBT-SFHVURJKSA-N 0 0 444.604 5.445 50 0 IKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Br)cc2)n1)CCCC3 ZINC000001241725 568774552 /nfs/dbraw/zinc/77/45/52/568774552.db2.gz RELMLTKZXISLCS-UHFFFAOYSA-N 0 0 448.411 5.372 50 0 IKAARN CCCc1nc2sc3c(ncnc3SCC(=O)Nc3ccccc3)c2c2c1CCCC2 ZINC000001244381 568774729 /nfs/dbraw/zinc/77/47/29/568774729.db2.gz QIPWPTGTTWUCAM-UHFFFAOYSA-N 0 0 448.617 5.802 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)Nc3ccccc3)c2c2c1CCCC2 ZINC000001245562 568774783 /nfs/dbraw/zinc/77/47/83/568774783.db2.gz KDRZKMSVHDYESS-UHFFFAOYSA-N 0 0 448.617 5.973 50 0 IKAARN Cc1cccc(-n2c(=O)c3cc4c(nc3nc2SCc2ccccc2)CC(C)(C)OC4)c1 ZINC000001248963 568774940 /nfs/dbraw/zinc/77/49/40/568774940.db2.gz RCNCBXMNACKTMD-UHFFFAOYSA-N 0 0 443.572 5.233 50 0 IKAARN CCSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CCCC3 ZINC000001251702 568774998 /nfs/dbraw/zinc/77/49/98/568774998.db2.gz OLFHLMWLKODORF-UHFFFAOYSA-N 0 0 440.619 5.305 50 0 IKAARN COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)cc2c1 ZINC000001254481 568775234 /nfs/dbraw/zinc/77/52/34/568775234.db2.gz SFNLIWZDOFLBGF-JOCHJYFZSA-N 0 0 445.906 5.790 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)cc1 ZINC000001264334 568775461 /nfs/dbraw/zinc/77/54/61/568775461.db2.gz HUQQKHQKJUONML-UHFFFAOYSA-N 0 0 427.879 5.086 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000263617182 568777064 /nfs/dbraw/zinc/77/70/64/568777064.db2.gz MNSIFZJTSLPPQJ-UHFFFAOYSA-N 0 0 434.609 5.509 50 0 IKAARN CCCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 ZINC000263617380 568777116 /nfs/dbraw/zinc/77/71/16/568777116.db2.gz NLPHZILPMDWFRZ-HXUWFJFHSA-N 0 0 425.916 5.546 50 0 IKAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1 ZINC000263617533 568777238 /nfs/dbraw/zinc/77/72/38/568777238.db2.gz OGRNPADGHDRIKR-QGZVFWFLSA-N 0 0 430.361 5.030 50 0 IKAARN O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cc(Cl)cc2c1-c1cccc(F)c1 ZINC000263617940 568777476 /nfs/dbraw/zinc/77/74/76/568777476.db2.gz QNOAOIICAMDLBL-UHFFFAOYSA-N 0 0 433.838 5.805 50 0 IKAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)cc3CO2)cc1 ZINC000263618598 568777720 /nfs/dbraw/zinc/77/77/20/568777720.db2.gz UOEAGVILGIWMHU-LJQANCHMSA-N 0 0 426.398 5.199 50 0 IKAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263618314 568778210 /nfs/dbraw/zinc/77/82/10/568778210.db2.gz SGDGQCDFVXFCJU-IBGZPJMESA-N 0 0 426.398 5.199 50 0 IKAARN Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c2CO1 ZINC000263619494 568778219 /nfs/dbraw/zinc/77/82/19/568778219.db2.gz YXHWRYHLCUXYKG-QGZVFWFLSA-N 0 0 430.361 5.030 50 0 IKAARN CCOc1c(Br)cc(Br)cc1/C=C\c1ccc2cccc(O)c2n1 ZINC000083292157 568778446 /nfs/dbraw/zinc/77/84/46/568778446.db2.gz YPAHUKQWICIZKY-CLFYSBASSA-N 0 0 449.142 6.035 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)cc1 ZINC000001299048 568778628 /nfs/dbraw/zinc/77/86/28/568778628.db2.gz FJBOIPZUUMCQCH-UHFFFAOYSA-N 0 0 449.601 6.137 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)N3CCCCC3)c2c2c1CCCC2 ZINC000001305058 568779245 /nfs/dbraw/zinc/77/92/45/568779245.db2.gz YSJJWTXKMVFFGH-UHFFFAOYSA-N 0 0 440.638 5.346 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000001310399 568779505 /nfs/dbraw/zinc/77/95/05/568779505.db2.gz DTZVTNPIBQEXSN-SFHVURJKSA-N 0 0 429.701 5.687 50 0 IKAARN O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000032089112 568779671 /nfs/dbraw/zinc/77/96/71/568779671.db2.gz HJFUPKPDYHBEAT-UHFFFAOYSA-N 0 0 425.875 6.463 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000001320550 568779837 /nfs/dbraw/zinc/77/98/37/568779837.db2.gz HZVMPAWGOGNNRP-MHZLTWQESA-N 0 0 431.507 5.131 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)c(C)c1 ZINC000001320600 568779866 /nfs/dbraw/zinc/77/98/66/568779866.db2.gz DLQCEVKTGBXDPF-VWLOTQADSA-N 0 0 437.898 5.103 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 ZINC000001320466 568779871 /nfs/dbraw/zinc/77/98/71/568779871.db2.gz BNVKGSCCPKRCDD-QHCPKHFHSA-N 0 0 426.299 5.001 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc(Cl)cc1 ZINC000001320604 568779879 /nfs/dbraw/zinc/77/98/79/568779879.db2.gz CLQMRATXEJRTRM-HSZRJFAPSA-N 0 0 444.289 5.140 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3cc(C)c(C)cc3C)C2=O)c1 ZINC000001320437 568779891 /nfs/dbraw/zinc/77/98/91/568779891.db2.gz XUTUOYNCZCGMBR-NDEPHWFRSA-N 0 0 427.544 5.236 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000032107178 568781301 /nfs/dbraw/zinc/78/13/01/568781301.db2.gz DNTWKGMDVBSGNC-SANMLTNESA-N 0 0 446.572 5.154 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1F ZINC000004145488 568781924 /nfs/dbraw/zinc/78/19/24/568781924.db2.gz JBKAASVNSQXFRS-UHFFFAOYSA-N 0 0 431.870 6.297 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000004143518 568781937 /nfs/dbraw/zinc/78/19/37/568781937.db2.gz URCIMQZLDPNDJS-UHFFFAOYSA-N 0 0 444.343 6.118 50 0 IKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045941707 568783611 /nfs/dbraw/zinc/78/36/11/568783611.db2.gz JGQCGAAWNOWCNL-OAQYLSRUSA-N 0 0 438.296 5.641 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000045942006 568783619 /nfs/dbraw/zinc/78/36/19/568783619.db2.gz QCGDEARNYJHMHT-HSZRJFAPSA-N 0 0 435.976 6.423 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2Br)cc1 ZINC000045942427 568783653 /nfs/dbraw/zinc/78/36/53/568783653.db2.gz PCUHGJWDIHRGLZ-NRFANRHFSA-N 0 0 438.296 5.954 50 0 IKAARN CC1(C)CN(c2ccc(-c3ccnc4nc(SCc5cccc(Cl)c5)nn43)cc2)C1=O ZINC000001383268 568784010 /nfs/dbraw/zinc/78/40/10/568784010.db2.gz DJSVTWIGHGRTSE-UHFFFAOYSA-N 0 0 449.967 5.110 50 0 IKAARN O=[S@](Cc1cc(Sc2ccccc2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000001383089 568784063 /nfs/dbraw/zinc/78/40/63/568784063.db2.gz IHVCLHVDRWKELJ-LJAQVGFWSA-N 0 0 437.977 5.651 50 0 IKAARN CNC(=O)c1ccc(CN(C)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 ZINC000083882278 568784230 /nfs/dbraw/zinc/78/42/30/568784230.db2.gz CUAXEKGFFNSJIE-UHFFFAOYSA-N 0 0 441.767 5.493 50 0 IKAARN CCCn1c(S(=O)(=O)Cc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000001388808 568784844 /nfs/dbraw/zinc/78/48/44/568784844.db2.gz ZVUAXXFUHOGKAQ-UHFFFAOYSA-N 0 0 446.572 5.610 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000001391120 568785064 /nfs/dbraw/zinc/78/50/64/568785064.db2.gz DAFVTDAYSLHTTD-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccnc2-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000001390643 568785072 /nfs/dbraw/zinc/78/50/72/568785072.db2.gz FLCDJFFVUVUHKV-UHFFFAOYSA-N 0 0 429.324 5.257 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000001393239 568785272 /nfs/dbraw/zinc/78/52/72/568785272.db2.gz KAENOXHKNUCVHW-UHFFFAOYSA-N 0 0 444.336 5.420 50 0 IKAARN Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2cccc(Cl)c2)n1 ZINC000001392271 568785274 /nfs/dbraw/zinc/78/52/74/568785274.db2.gz XLRIHSMNHVKKOI-UHFFFAOYSA-N 0 0 425.362 5.217 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001392295 568785286 /nfs/dbraw/zinc/78/52/86/568785286.db2.gz BOYZCZMQNMPOHO-UHFFFAOYSA-N 0 0 438.332 5.382 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1sccc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000001393184 568785318 /nfs/dbraw/zinc/78/53/18/568785318.db2.gz KBGSKFKJFBKJGI-UHFFFAOYSA-N 0 0 426.346 5.281 50 0 IKAARN CC(=O)Nc1ccc(Oc2nc(SCc3ccc(Cl)cc3)nc3c2CCCC3)cc1 ZINC000001398474 568785772 /nfs/dbraw/zinc/78/57/72/568785772.db2.gz OTIKCYDILIOQMC-UHFFFAOYSA-N 0 0 439.968 6.052 50 0 IKAARN CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)(F)F ZINC000001396021 568785960 /nfs/dbraw/zinc/78/59/60/568785960.db2.gz CJGKWGSMIPHRFG-UHFFFAOYSA-N 0 0 436.242 5.498 50 0 IKAARN COc1ccc(NC(=O)c2cc(Cl)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000001400043 568785986 /nfs/dbraw/zinc/78/59/86/568785986.db2.gz SGLXGKGIYNSOKB-UHFFFAOYSA-N 0 0 437.710 5.118 50 0 IKAARN Cc1nc(C(=O)Nc2ccc(F)cc2F)nn1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000001400990 568786337 /nfs/dbraw/zinc/78/63/37/568786337.db2.gz GGQZTKKXFFIPIX-UHFFFAOYSA-N 0 0 441.265 5.200 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccncc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000001402834 568786623 /nfs/dbraw/zinc/78/66/23/568786623.db2.gz FODMRJLOVXRQGS-UHFFFAOYSA-N 0 0 442.327 5.345 50 0 IKAARN Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Oc2ccc(F)cc2F)cc1 ZINC000001403664 568786635 /nfs/dbraw/zinc/78/66/35/568786635.db2.gz HGLMYAHEVPCNAR-UHFFFAOYSA-N 0 0 438.455 5.355 50 0 IKAARN O=C(NCc1ccccc1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000004181738 568786896 /nfs/dbraw/zinc/78/68/96/568786896.db2.gz XADNITGJSRDKTP-UHFFFAOYSA-N 0 0 448.807 5.138 50 0 IKAARN CC(=O)Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1OC(C)=O ZINC000004181888 568787043 /nfs/dbraw/zinc/78/70/43/568787043.db2.gz YOXZQWUFEYTSLL-UHFFFAOYSA-N 0 0 440.131 6.302 50 0 IKAARN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000014257274 568787064 /nfs/dbraw/zinc/78/70/64/568787064.db2.gz ILIPUTVKNZRMPU-UHFFFAOYSA-N 0 0 448.182 5.288 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)ccc1OCC(C)C ZINC000046076673 568787308 /nfs/dbraw/zinc/78/73/08/568787308.db2.gz CMNIEYSMZXGPFZ-KRWDZBQOSA-N 0 0 425.525 6.072 50 0 IKAARN CC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 ZINC000001410115 568787466 /nfs/dbraw/zinc/78/74/66/568787466.db2.gz YSBBYOTWFWUSLC-RPWUZVMVSA-N 0 0 437.580 5.451 50 0 IKAARN CC(=O)N(CC[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 ZINC000001410112 568787485 /nfs/dbraw/zinc/78/74/85/568787485.db2.gz YSBBYOTWFWUSLC-BJKOFHAPSA-N 0 0 437.580 5.451 50 0 IKAARN Cc1[nH]c2ccc(Br)cc2c1CCNC(=S)NCc1cc(C)ccc1C ZINC000001410395 568787846 /nfs/dbraw/zinc/78/78/46/568787846.db2.gz MZDDUVSPHQXZMP-UHFFFAOYSA-N 0 0 430.415 5.062 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(NC(=O)COc2ccc(Cl)cc2Cl)CCCCC1 ZINC000001410274 568787917 /nfs/dbraw/zinc/78/79/17/568787917.db2.gz BMMKKNWKRXSCSH-UHFFFAOYSA-N 0 0 449.378 5.447 50 0 IKAARN CCOc1cc(NC(=O)c2cccc(Cn3nc(C)c(Cl)c3C)c2)ccc1OC(F)F ZINC000001069228 568788097 /nfs/dbraw/zinc/78/80/97/568788097.db2.gz MVQWJZUIZWGLDL-UHFFFAOYSA-N 0 0 449.885 5.454 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000001852398 568788433 /nfs/dbraw/zinc/78/84/33/568788433.db2.gz GFAPSQHXRISDIH-UHFFFAOYSA-N 0 0 448.224 5.157 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000001490202 568788475 /nfs/dbraw/zinc/78/84/75/568788475.db2.gz GSWYMNCJVQLLSL-UHFFFAOYSA-N 0 0 446.359 6.063 50 0 IKAARN C[S@](=O)C[C@@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc21)c1ccccc1 ZINC000083990099 568788642 /nfs/dbraw/zinc/78/86/42/568788642.db2.gz SYQUHSZXRHZGGI-KWMCUTETSA-N 0 0 427.982 5.543 50 0 IKAARN COc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000001413272 568790129 /nfs/dbraw/zinc/79/01/29/568790129.db2.gz NKRNOYORVPRFRL-HSZRJFAPSA-N 0 0 431.879 5.194 50 0 IKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccccc2)cc1OC ZINC000001413218 568790383 /nfs/dbraw/zinc/79/03/83/568790383.db2.gz CCKITGSXEPOASO-RUZDIDTESA-N 0 0 425.488 5.152 50 0 IKAARN CC(=O)Oc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)n2)cc1 ZINC000001413644 568790435 /nfs/dbraw/zinc/79/04/35/568790435.db2.gz GRAHZPLZYCUGDX-UHFFFAOYSA-N 0 0 443.450 5.915 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc3o2)cc1 ZINC000001414894 568790559 /nfs/dbraw/zinc/79/05/59/568790559.db2.gz AXMDVDMUAXDNFW-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000001415864 568790645 /nfs/dbraw/zinc/79/06/45/568790645.db2.gz PKXPSTIXLXLWCZ-UHFFFAOYSA-N 0 0 431.746 5.661 50 0 IKAARN COc1ccc(CCn2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1OC ZINC000001418660 568790927 /nfs/dbraw/zinc/79/09/27/568790927.db2.gz TYIITBFHDBADFC-UHFFFAOYSA-N 0 0 426.607 6.175 50 0 IKAARN CCN(C(=O)c1ccc2ccccc2n1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000001418682 568790984 /nfs/dbraw/zinc/79/09/84/568790984.db2.gz WQDDPJOTKNWKAD-UHFFFAOYSA-N 0 0 429.564 5.655 50 0 IKAARN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)n1 ZINC000084068189 568791199 /nfs/dbraw/zinc/79/11/99/568791199.db2.gz UXXODQCLBUNGAJ-UHFFFAOYSA-N 0 0 441.331 5.035 50 0 IKAARN CCOc1ccc(CCNC(=S)N[C@H](CC)c2ccc(C(C)C)cc2)cc1OCC ZINC000006555378 568792163 /nfs/dbraw/zinc/79/21/63/568792163.db2.gz BQOWKUBQCLNEBP-JOCHJYFZSA-N 0 0 428.642 5.765 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)SCCCC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000015491959 568792169 /nfs/dbraw/zinc/79/21/69/568792169.db2.gz CXPJODPSBJFLNN-MRXNPFEDSA-N 0 0 434.989 5.445 50 0 IKAARN Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000008386286 568793154 /nfs/dbraw/zinc/79/31/54/568793154.db2.gz LLORFBORMOJBGD-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN Cc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc3c2CCCC3=O)cc1 ZINC000001423507 568793161 /nfs/dbraw/zinc/79/31/61/568793161.db2.gz MIBCXJPDCFTCCV-UHFFFAOYSA-N 0 0 441.314 5.224 50 0 IKAARN Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 ZINC000084114708 568793546 /nfs/dbraw/zinc/79/35/46/568793546.db2.gz GOZLSYDJVDEWQT-OAQYLSRUSA-N 0 0 425.536 5.967 50 0 IKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccc(OC)cc1)n1c2ccccc2nc1-3 ZINC000001424584 568793749 /nfs/dbraw/zinc/79/37/49/568793749.db2.gz NQFVMPSUWKLVOJ-HSZRJFAPSA-N 0 0 442.544 5.749 50 0 IKAARN Cc1ccc2c(c1Br)[C@](O)(CC(=O)c1ccc(C3CCCCC3)cc1)C(=O)N2 ZINC000001425411 568793772 /nfs/dbraw/zinc/79/37/72/568793772.db2.gz ALHRVZPUXLEDRB-HSZRJFAPSA-N 0 0 442.353 5.218 50 0 IKAARN CCOc1ccc([C@@H]2Cc3[nH]c(C(=O)OCC4CCCCC4)c(C)c3C(=O)C2)cc1OC ZINC000001425712 568793788 /nfs/dbraw/zinc/79/37/88/568793788.db2.gz LRMGJHTVHZJEHJ-LJQANCHMSA-N 0 0 439.552 5.380 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000019204103 568795275 /nfs/dbraw/zinc/79/52/75/568795275.db2.gz YSFNOBBHWDOKNP-UHFFFAOYSA-N 0 0 436.558 6.244 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)c1 ZINC000084211053 568796246 /nfs/dbraw/zinc/79/62/46/568796246.db2.gz COSYXTBQOWRANO-LJQANCHMSA-N 0 0 447.510 5.809 50 0 IKAARN Cc1ccccc1-c1noc(C[S@@](=O)Cc2csc(-c3ccccc3Cl)n2)n1 ZINC000084247707 568796474 /nfs/dbraw/zinc/79/64/74/568796474.db2.gz DGNAJLUIQCQOCI-MUUNZHRXSA-N 0 0 429.954 5.271 50 0 IKAARN Cc1csc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)n1 ZINC000084271385 568796653 /nfs/dbraw/zinc/79/66/53/568796653.db2.gz MVSMHSIFIZOKLW-UHFFFAOYSA-N 0 0 447.482 5.226 50 0 IKAARN Cc1nccn1-c1ccc(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1F ZINC000084291026 568796865 /nfs/dbraw/zinc/79/68/65/568796865.db2.gz ULHLLHXUORELBY-UHFFFAOYSA-N 0 0 448.112 5.258 50 0 IKAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000084341490 568797141 /nfs/dbraw/zinc/79/71/41/568797141.db2.gz YXNZBKRIPCLLLQ-ZDUSSCGKSA-N 0 0 439.305 5.026 50 0 IKAARN O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000084374365 568797550 /nfs/dbraw/zinc/79/75/50/568797550.db2.gz ODBLYDLOPXMDGU-CQSZACIVSA-N 0 0 425.000 5.402 50 0 IKAARN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000084392821 568797724 /nfs/dbraw/zinc/79/77/24/568797724.db2.gz SCBCPRWADSDPSV-YGRLFVJLSA-N 0 0 438.113 5.484 50 0 IKAARN O=C(Nc1ccc(-c2nccs2)cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000084421787 568797943 /nfs/dbraw/zinc/79/79/43/568797943.db2.gz YDDHXFCRRNZMPZ-SFHVURJKSA-N 0 0 444.354 5.178 50 0 IKAARN O=C(NCc1ccoc1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000084489923 568798179 /nfs/dbraw/zinc/79/81/79/568798179.db2.gz CZGVSTAOWUMFFK-UHFFFAOYSA-N 0 0 430.233 5.311 50 0 IKAARN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cnc(-c2ccccc2F)s1 ZINC000084505943 568798282 /nfs/dbraw/zinc/79/82/82/568798282.db2.gz RDWJAYUMIIOSGZ-UHFFFAOYSA-N 0 0 439.899 5.065 50 0 IKAARN O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc2ccccc2n1Cc1ccccc1F ZINC000084594903 568799037 /nfs/dbraw/zinc/79/90/37/568799037.db2.gz AKMBYVPHEJNMAI-UHFFFAOYSA-N 0 0 442.494 5.001 50 0 IKAARN Brc1cccc(C2(c3nnc(Cc4cccc5ccccc54)o3)CCOCC2)c1 ZINC000084598503 568799139 /nfs/dbraw/zinc/79/91/39/568799139.db2.gz MTIJATYZGVRAOR-UHFFFAOYSA-N 0 0 449.348 5.673 50 0 IKAARN Cn1c(=S)n(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)nc1-c1ccccc1 ZINC000084673672 568799719 /nfs/dbraw/zinc/79/97/19/568799719.db2.gz FQNJDOWLGNGWIO-IBGZPJMESA-N 0 0 428.989 5.081 50 0 IKAARN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccccc1Cl ZINC000084667946 568799863 /nfs/dbraw/zinc/79/98/63/568799863.db2.gz PBQGSSIUGBITSQ-NSHDSACASA-N 0 0 439.730 5.328 50 0 IKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000015634705 568800305 /nfs/dbraw/zinc/80/03/05/568800305.db2.gz WIXCDLDUYVVUOU-BMJUYKDLSA-N 0 0 448.717 8.505 50 0 IKAARN CCN(CC)C(=O)Nc1ccc([C@@H](C)Nc2ccccc2S(=O)(=O)C(F)(F)F)cc1 ZINC000084770999 568801049 /nfs/dbraw/zinc/80/10/49/568801049.db2.gz FRKZFGWDUUJMOO-CQSZACIVSA-N 0 0 443.491 5.027 50 0 IKAARN CCOc1ccc(-c2noc(CSc3nnc(Cc4c(F)cccc4Cl)o3)n2)cc1 ZINC000084810472 568801781 /nfs/dbraw/zinc/80/17/81/568801781.db2.gz NWNQLZFXZPYQBS-UHFFFAOYSA-N 0 0 446.891 5.194 50 0 IKAARN COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)Nc4ccccc4)s3)c2C)cc1 ZINC000015669182 568801918 /nfs/dbraw/zinc/80/19/18/568801918.db2.gz KEMIUFPIMZXQBZ-UHFFFAOYSA-N 0 0 432.549 5.106 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1nccs1 ZINC000015669772 568802153 /nfs/dbraw/zinc/80/21/53/568802153.db2.gz YEBNIEZRTSMUMY-UHFFFAOYSA-N 0 0 432.596 5.002 50 0 IKAARN CCN1c2cc(NC(=O)Nc3ccc(OC)cc3OC)ccc2Sc2ccccc2C1=O ZINC000015671875 568803027 /nfs/dbraw/zinc/80/30/27/568803027.db2.gz BNMRGKQTAIVMFD-UHFFFAOYSA-N 0 0 449.532 5.479 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000015672684 568803118 /nfs/dbraw/zinc/80/31/18/568803118.db2.gz NPKPHNUKIBBUBN-YMJPAYASSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000015672686 568803121 /nfs/dbraw/zinc/80/31/21/568803121.db2.gz NPKPHNUKIBBUBN-QRRVGDGBSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1C ZINC000015672621 568803132 /nfs/dbraw/zinc/80/31/32/568803132.db2.gz HMGPZXIDKZFFKO-MIRXNBLZSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1 ZINC000015672668 568803159 /nfs/dbraw/zinc/80/31/59/568803159.db2.gz JENPQQMMAJIZKH-MIRXNBLZSA-N 0 0 449.620 5.434 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000015672438 568803306 /nfs/dbraw/zinc/80/33/06/568803306.db2.gz LJTMHCINNPORGU-VKZJBHIYSA-N 0 0 449.620 5.379 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000015672969 568803316 /nfs/dbraw/zinc/80/33/16/568803316.db2.gz OQUCNMUFMDLJIL-AREMUKBSSA-N 0 0 449.620 5.578 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1C ZINC000015672447 568803372 /nfs/dbraw/zinc/80/33/72/568803372.db2.gz LRENUVZPRGOGPY-MKTSZQRWSA-N 0 0 449.620 5.434 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015672946 568803419 /nfs/dbraw/zinc/80/34/19/568803419.db2.gz XIOMRMDRPVQTKQ-AREMUKBSSA-N 0 0 449.620 5.523 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015675890 568803874 /nfs/dbraw/zinc/80/38/74/568803874.db2.gz DOWROBYJDVJBHZ-HHHXNRCGSA-N 0 0 447.579 5.363 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(C2CCCCC2)C3=O)o1 ZINC000015675833 568803979 /nfs/dbraw/zinc/80/39/79/568803979.db2.gz KOKODRAZXGXPNO-SANMLTNESA-N 0 0 439.600 5.319 50 0 IKAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3nc(-c4ccccc4)cs3)sc2n1 ZINC000001438712 568804542 /nfs/dbraw/zinc/80/45/42/568804542.db2.gz NABFEQQEZGEEME-UHFFFAOYSA-N 0 0 434.468 5.582 50 0 IKAARN CCOc1ccccc1CNC(=O)CCc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000015678330 568804725 /nfs/dbraw/zinc/80/47/25/568804725.db2.gz VLBVRNSJTCXDRV-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678207 568804804 /nfs/dbraw/zinc/80/48/04/568804804.db2.gz LCBQBPKSRMVQAW-AREMUKBSSA-N 0 0 439.600 5.238 50 0 IKAARN Cc1ccccc1Cn1cc(CCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000015678384 568804815 /nfs/dbraw/zinc/80/48/15/568804815.db2.gz CJVQWZDVZNBHNE-UHFFFAOYSA-N 0 0 437.587 5.279 50 0 IKAARN Cc1ccc(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)c(Br)c1 ZINC000015679046 568805347 /nfs/dbraw/zinc/80/53/47/568805347.db2.gz CQCKSZPHEVHTMB-UHFFFAOYSA-N 0 0 442.332 5.739 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679058 568805366 /nfs/dbraw/zinc/80/53/66/568805366.db2.gz UQJQXCBJMJQMEB-UHFFFAOYSA-N 0 0 442.332 5.739 50 0 IKAARN CC(C)NC(=O)c1ccc(CSc2nc3cccnc3n2Cc2cccc(F)c2)cc1 ZINC000015679809 568805573 /nfs/dbraw/zinc/80/55/73/568805573.db2.gz OYTOSPFLEIIOFT-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015679635 568805654 /nfs/dbraw/zinc/80/56/54/568805654.db2.gz UXSXWJDVSZTZCJ-MUUNZHRXSA-N 0 0 449.639 5.645 50 0 IKAARN CCCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2cccc(F)c2)cc1 ZINC000015679810 568805662 /nfs/dbraw/zinc/80/56/62/568805662.db2.gz JVJBRFCWLNTZHP-UHFFFAOYSA-N 0 0 448.567 5.441 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3cccnc3n2Cc2cccc(F)c2)cc1 ZINC000015679808 568805664 /nfs/dbraw/zinc/80/56/64/568805664.db2.gz KFMPXQFNBUMKGH-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc23)cc1 ZINC000015680820 568806248 /nfs/dbraw/zinc/80/62/48/568806248.db2.gz KPKWBDGRYQMIDD-UHFFFAOYSA-N 0 0 446.572 5.179 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c(C)c1 ZINC000015681483 568806675 /nfs/dbraw/zinc/80/66/75/568806675.db2.gz OQNODOGKWKDPOB-UHFFFAOYSA-N 0 0 441.579 5.687 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682184 568807033 /nfs/dbraw/zinc/80/70/33/568807033.db2.gz RXUZMLYDODWDPV-UHFFFAOYSA-N 0 0 446.547 6.320 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc1CSc1ccccc1 ZINC000015682227 568807145 /nfs/dbraw/zinc/80/71/45/568807145.db2.gz VVCRPVMXYAJPKT-SFHVURJKSA-N 0 0 428.557 6.433 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682131 568807154 /nfs/dbraw/zinc/80/71/54/568807154.db2.gz VTCYLZXNTRSLFR-FQEVSTJZSA-N 0 0 440.543 6.071 50 0 IKAARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1ccc(F)c(Cl)c1 ZINC000015721095 568811824 /nfs/dbraw/zinc/81/18/24/568811824.db2.gz SAGMDVYZRWVXDP-OAQYLSRUSA-N 0 0 426.850 5.344 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)C[C@H](c1cccs1)N1Cc2ccccc2C1=O ZINC000015721200 568811884 /nfs/dbraw/zinc/81/18/84/568811884.db2.gz NEJWLCQSMKRXMY-LJQANCHMSA-N 0 0 440.952 5.444 50 0 IKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)c1 ZINC000015729514 568813409 /nfs/dbraw/zinc/81/34/09/568813409.db2.gz VYTRVOMWVZMOPR-UHFFFAOYSA-N 0 0 441.527 6.531 50 0 IKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3c2C)c1 ZINC000015729521 568813435 /nfs/dbraw/zinc/81/34/35/568813435.db2.gz PAIKIKXGTNRERG-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)c(OC)c4)oc3c2)cc1 ZINC000015729402 568813441 /nfs/dbraw/zinc/81/34/41/568813441.db2.gz VJCTVMWEYBJIEE-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c2C)c1 ZINC000015729411 568813504 /nfs/dbraw/zinc/81/35/04/568813504.db2.gz VVEHAUZNMICNPG-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)cc1 ZINC000015729515 568813517 /nfs/dbraw/zinc/81/35/17/568813517.db2.gz UYZHXIFWSGNBHS-UHFFFAOYSA-N 0 0 441.527 6.531 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)c1 ZINC000015729388 568813539 /nfs/dbraw/zinc/81/35/39/568813539.db2.gz GFCPNEWKVWPPKA-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)/C=C/c4ccccc4)cc3c2C)cc1OC ZINC000015729512 568813543 /nfs/dbraw/zinc/81/35/43/568813543.db2.gz SQDKUFUNAPLTCY-NTEUORMPSA-N 0 0 441.483 5.641 50 0 biogenic IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000015732148 568815006 /nfs/dbraw/zinc/81/50/06/568815006.db2.gz KCILRZZQCOBGAQ-LJAQVGFWSA-N 0 0 449.598 7.355 50 0 IKAARN CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000015732006 568815328 /nfs/dbraw/zinc/81/53/28/568815328.db2.gz KRCWHZNYSZBMGW-UHFFFAOYSA-N 0 0 441.622 5.302 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1C ZINC000015733547 568815885 /nfs/dbraw/zinc/81/58/85/568815885.db2.gz XYXFBRWZHNKUKF-NRFANRHFSA-N 0 0 447.922 6.162 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cc(Cl)ccc1C ZINC000015733493 568815914 /nfs/dbraw/zinc/81/59/14/568815914.db2.gz XWASSQWMYKMKIZ-OAQYLSRUSA-N 0 0 447.922 6.162 50 0 IKAARN CCN(CC)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c(C)c1 ZINC000015734834 568816495 /nfs/dbraw/zinc/81/64/95/568816495.db2.gz INUUYBIJQMVZGC-UHFFFAOYSA-N 0 0 449.624 5.215 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1)CCCC3 ZINC000015735445 568816617 /nfs/dbraw/zinc/81/66/17/568816617.db2.gz LFFVOLIDRUIYDI-QFIPXVFZSA-N 0 0 441.547 5.719 50 0 IKAARN CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000015735347 568816699 /nfs/dbraw/zinc/81/66/99/568816699.db2.gz ZSKTUVNOYLKBSF-DEOSSOPVSA-N 0 0 433.621 6.078 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC2CCCC2)CCCC4)cc1 ZINC000015735358 568816707 /nfs/dbraw/zinc/81/67/07/568816707.db2.gz AXOUVTDRBGGDJB-VWLOTQADSA-N 0 0 445.632 6.283 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000015735340 568816713 /nfs/dbraw/zinc/81/67/13/568816713.db2.gz IWUXIDRHDRYIRI-DEOSSOPVSA-N 0 0 431.605 5.975 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)CCCC3 ZINC000015735408 568816720 /nfs/dbraw/zinc/81/67/20/568816720.db2.gz KOQIKWVMIMGZTQ-QHCPKHFHSA-N 0 0 435.593 5.451 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(F)ccc1F)CCCC3 ZINC000015735634 568816885 /nfs/dbraw/zinc/81/68/85/568816885.db2.gz WRXYUHIBEKVBQE-JOCHJYFZSA-N 0 0 441.547 6.441 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)cc1 ZINC000015735652 568816892 /nfs/dbraw/zinc/81/68/92/568816892.db2.gz GCPASABDPLBUOQ-DEOSSOPVSA-N 0 0 433.621 6.149 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)c(C)c1 ZINC000015735627 568816896 /nfs/dbraw/zinc/81/68/96/568816896.db2.gz JFSPHFDBGALSJH-XMMPIXPASA-N 0 0 433.621 6.779 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)c1 ZINC000015735611 568817009 /nfs/dbraw/zinc/81/70/09/568817009.db2.gz PSDWSXXJLLXOPN-XMMPIXPASA-N 0 0 433.621 6.779 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(Cn2nc(-n3cccc3)c3c2nc(C)cc3C)cc1 ZINC000015735993 568817029 /nfs/dbraw/zinc/81/70/29/568817029.db2.gz BQYNUIJYUAMMHU-UHFFFAOYSA-N 0 0 449.558 5.702 50 0 IKAARN CCc1cccc(NC(=O)c2ccc(Cn3nc(-n4cccc4)c4c3nc(C)cc4C)cc2)c1 ZINC000015736005 568817057 /nfs/dbraw/zinc/81/70/57/568817057.db2.gz IBEMPOYKPRPITI-UHFFFAOYSA-N 0 0 449.558 5.702 50 0 IKAARN Cc1oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc2c(=O)c1-c1ccccc1 ZINC000001447946 568817292 /nfs/dbraw/zinc/81/72/92/568817292.db2.gz ZEVFRJNITHUHOM-UHFFFAOYSA-N 0 0 434.875 5.867 50 0 biogenic IKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1OC ZINC000001448052 568817409 /nfs/dbraw/zinc/81/74/09/568817409.db2.gz TWWZIQPFPUBQKO-NTEUORMPSA-N 0 0 442.467 5.404 50 0 biogenic IKAARN CCOc1ccc(Oc2coc3cc(OCC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001448072 568817464 /nfs/dbraw/zinc/81/74/64/568817464.db2.gz SFWBAACSYBRBCM-UHFFFAOYSA-N 0 0 434.419 5.385 50 0 IKAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)c3ccc(OC)cc3)ccc2c1=O ZINC000001448071 568817490 /nfs/dbraw/zinc/81/74/90/568817490.db2.gz LIRREXWUGWMGNZ-UHFFFAOYSA-N 0 0 446.455 5.254 50 0 biogenic IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccccc3F)ccc2oc1-c1ccc(OC)cc1 ZINC000001448006 568817512 /nfs/dbraw/zinc/81/75/12/568817512.db2.gz UTCQYLLZNGMSCP-UHFFFAOYSA-N 0 0 434.419 5.643 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2c(-c3ccccc3)csc2NC(=O)Cc2ccccc2)c1 ZINC000085397630 568817616 /nfs/dbraw/zinc/81/76/16/568817616.db2.gz CVTBBSCFHVCBCC-UHFFFAOYSA-N 0 0 440.568 6.465 50 0 IKAARN C[C@@H](Cc1cccc(C(F)(F)F)c1)NC(=O)CC1c2ccccc2Sc2ccccc21 ZINC000085406239 568817664 /nfs/dbraw/zinc/81/76/64/568817664.db2.gz YQUHBRUUZNHOEI-INIZCTEOSA-N 0 0 441.518 6.439 50 0 IKAARN CC[C@@H](C(=O)NCC(C)C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405289 568817697 /nfs/dbraw/zinc/81/76/97/568817697.db2.gz YCLKZCUXSHKJEC-IBGZPJMESA-N 0 0 436.358 5.796 50 0 IKAARN COc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CCC(=O)NC2CC2)cc1 ZINC000085410180 568817853 /nfs/dbraw/zinc/81/78/53/568817853.db2.gz FHOLZGVTYYVENQ-UHFFFAOYSA-N 0 0 445.950 5.542 50 0 IKAARN COc1cccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)N2CCCC2)c1 ZINC000085409160 568817873 /nfs/dbraw/zinc/81/78/73/568817873.db2.gz YUAYQXUSNVASLR-UHFFFAOYSA-N 0 0 439.559 5.540 50 0 IKAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1OC(C)C ZINC000085411781 568817985 /nfs/dbraw/zinc/81/79/85/568817985.db2.gz QNMCPILMAIXJHZ-NRFANRHFSA-N 0 0 429.586 5.754 50 0 IKAARN COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccccc1F ZINC000085412232 568818050 /nfs/dbraw/zinc/81/80/50/568818050.db2.gz UMXKUYBTERFLHI-NRFANRHFSA-N 0 0 441.528 5.370 50 0 IKAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000085414330 568818838 /nfs/dbraw/zinc/81/88/38/568818838.db2.gz IYTZSFSXVKWCRC-UHFFFAOYSA-N 0 0 426.903 6.512 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccs2)c1C ZINC000001454350 568819253 /nfs/dbraw/zinc/81/92/53/568819253.db2.gz DJJFEHPYRJTYFH-UHFFFAOYSA-N 0 0 439.993 6.241 50 0 IKAARN COc1ccc(N(CCC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1 ZINC000006051599 568819850 /nfs/dbraw/zinc/81/98/50/568819850.db2.gz ONASNKONQDYRRV-UHFFFAOYSA-N 0 0 425.594 5.497 50 0 IKAARN COC(=O)c1ccc(COc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)cc1 ZINC000001463877 568819970 /nfs/dbraw/zinc/81/99/70/568819970.db2.gz CMNSHVDASPMSRS-UHFFFAOYSA-N 0 0 430.456 5.143 50 0 biogenic IKAARN CCc1cc2c(cc1OCc1cccc(OC)c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001463886 568820030 /nfs/dbraw/zinc/82/00/30/568820030.db2.gz BZQTXNXFPJCTAW-UHFFFAOYSA-N 0 0 444.483 5.381 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2nc4ccccc4s2)c3=O)cc1 ZINC000001463817 568820038 /nfs/dbraw/zinc/82/00/38/568820038.db2.gz BTJSWJKVBDRACQ-UHFFFAOYSA-N 0 0 443.480 5.606 50 0 IKAARN CCOC(=O)[C@@H](Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)c1ccccc1 ZINC000001464039 568820044 /nfs/dbraw/zinc/82/00/44/568820044.db2.gz ATVJIBXSJDXVAH-VWLOTQADSA-N 0 0 430.456 5.152 50 0 biogenic IKAARN CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1 ZINC000006074143 568821053 /nfs/dbraw/zinc/82/10/53/568821053.db2.gz GHTYHJRRGASYKC-UHFFFAOYSA-N 0 0 448.592 5.308 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1 ZINC000006075367 568821119 /nfs/dbraw/zinc/82/11/19/568821119.db2.gz JIKXIVGIDDSYCO-UHFFFAOYSA-N 0 0 440.499 5.595 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000006077345 568821254 /nfs/dbraw/zinc/82/12/54/568821254.db2.gz BXODJYQDWSDBPX-UZUQRXQVSA-N 0 0 442.544 5.379 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1nc(-c2cccs2)no1 ZINC000026012993 568821587 /nfs/dbraw/zinc/82/15/87/568821587.db2.gz UVNQHGBOCJCTPK-ZDUSSCGKSA-N 0 0 427.555 6.008 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)nn2)c(C)c1C ZINC000013009763 568821790 /nfs/dbraw/zinc/82/17/90/568821790.db2.gz KRXMYGHLKJVGNC-UHFFFAOYSA-N 0 0 432.915 5.237 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nn2)c(C)c1C ZINC000013009919 568821959 /nfs/dbraw/zinc/82/19/59/568821959.db2.gz GIAHKDLAPFRWBU-UHFFFAOYSA-N 0 0 431.475 5.114 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1ccc(Cl)cc1 ZINC000015770975 568822510 /nfs/dbraw/zinc/82/25/10/568822510.db2.gz KFJMHRWDXDKXMS-UHFFFAOYSA-N 0 0 438.314 5.490 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)c(C)c1 ZINC000015770991 568822523 /nfs/dbraw/zinc/82/25/23/568822523.db2.gz SWLXECONCKYENQ-UHFFFAOYSA-N 0 0 445.950 5.131 50 0 IKAARN CCc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000015770965 568822570 /nfs/dbraw/zinc/82/25/70/568822570.db2.gz XTJCYBDYKKRZOE-UHFFFAOYSA-N 0 0 431.923 5.399 50 0 IKAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776905 568823586 /nfs/dbraw/zinc/82/35/86/568823586.db2.gz RMTFNJRZDDBPHC-UHFFFAOYSA-N 0 0 445.332 5.043 50 0 IKAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000015776818 568824019 /nfs/dbraw/zinc/82/40/19/568824019.db2.gz XVVOMPUDNGCYKQ-UHFFFAOYSA-N 0 0 445.332 5.043 50 0 IKAARN Cc1cccc(C(=O)N[C@@H](Oc2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000001480449 568824261 /nfs/dbraw/zinc/82/42/61/568824261.db2.gz OQWGWNQIUZTRCK-HNNXBMFYSA-N 0 0 437.548 5.263 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNS(=O)(=O)c1cc(C)c(C)cc1C ZINC000015783802 568826552 /nfs/dbraw/zinc/82/65/52/568826552.db2.gz MHDKXMWQARDGAW-UHFFFAOYSA-N 0 0 435.014 5.218 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1cc(C)ccc1C ZINC000015783545 568826944 /nfs/dbraw/zinc/82/69/44/568826944.db2.gz PGUCBDDJASATCJ-RTWAWAEBSA-N 0 0 448.592 5.068 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1cc(C)ccc1C ZINC000015783551 568826989 /nfs/dbraw/zinc/82/69/89/568826989.db2.gz PGUCBDDJASATCJ-LEWJYISDSA-N 0 0 448.592 5.068 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1 ZINC000085606554 568827252 /nfs/dbraw/zinc/82/72/52/568827252.db2.gz HIFMEZWRVWHWBI-KPOBHBOGSA-N 0 0 444.457 5.157 50 0 IKAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc(Cl)c2)sc1C ZINC000012821280 568828300 /nfs/dbraw/zinc/82/83/00/568828300.db2.gz BWDAUZUEZVVWSO-UHFFFAOYSA-N 0 0 428.941 5.171 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649452 568830541 /nfs/dbraw/zinc/83/05/41/568830541.db2.gz AYACZHMHTHGTNA-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN O=C(C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)NCCCc1ccccc1 ZINC000085648783 568830711 /nfs/dbraw/zinc/83/07/11/568830711.db2.gz OUQPWIGROJLUME-HSZRJFAPSA-N 0 0 434.967 5.247 50 0 IKAARN Cc1ccc2c(c1)OC[C@@H](CC(=O)Nc1nc3ccccc3s1)N2Cc1ccccc1 ZINC000085648742 568830726 /nfs/dbraw/zinc/83/07/26/568830726.db2.gz IAEHEOKBUFKLCS-LJQANCHMSA-N 0 0 429.545 5.401 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(C)c4)n3)cc2)cc1OC ZINC000085649361 568830757 /nfs/dbraw/zinc/83/07/57/568830757.db2.gz HKROMAFXTGVIJP-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000085650201 568830923 /nfs/dbraw/zinc/83/09/23/568830923.db2.gz KIEUUSRUJJPIGQ-UHFFFAOYSA-N 0 0 434.477 5.082 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3)n2)cc1 ZINC000085649667 568831051 /nfs/dbraw/zinc/83/10/51/568831051.db2.gz DJLYDYHGPOENSS-NRFANRHFSA-N 0 0 436.559 5.947 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649537 568831056 /nfs/dbraw/zinc/83/10/56/568831056.db2.gz LICYRENJXGFUML-IBGZPJMESA-N 0 0 440.522 5.777 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000085649665 568831061 /nfs/dbraw/zinc/83/10/61/568831061.db2.gz XDSRJNIPRXJWPL-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649551 568831110 /nfs/dbraw/zinc/83/11/10/568831110.db2.gz FYHOZPJSAUOQAL-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649524 568831128 /nfs/dbraw/zinc/83/11/28/568831128.db2.gz BIZVADTUMSIVJL-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)c(OC)c1 ZINC000085649652 568831134 /nfs/dbraw/zinc/83/11/34/568831134.db2.gz WMZUIWVTQSKZLT-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649775 568831238 /nfs/dbraw/zinc/83/12/38/568831238.db2.gz ZLZRCANEQBYFDV-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN CN(CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)c1ccccc1 ZINC000085649869 568831309 /nfs/dbraw/zinc/83/13/09/568831309.db2.gz MIWAEOGGTJBVGC-UHFFFAOYSA-N 0 0 437.547 5.144 50 0 IKAARN O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(Br)cc1F ZINC000012821417 568831464 /nfs/dbraw/zinc/83/14/64/568831464.db2.gz PJAZMMGACJOZJO-UHFFFAOYSA-N 0 0 437.272 5.088 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)N[C@H](C)CCc3ccccc3)cc3occc32)cc1Cl ZINC000085651206 568831797 /nfs/dbraw/zinc/83/17/97/568831797.db2.gz DMDAJAOUOGQJCX-QGZVFWFLSA-N 0 0 433.939 6.284 50 0 IKAARN Cc1cc(Nc2nc(C(=O)NCCCOC(C)C)cc3occc32)ccc1Br ZINC000085651256 568831851 /nfs/dbraw/zinc/83/18/51/568831851.db2.gz KHIQPSFVOOLVMZ-UHFFFAOYSA-N 0 0 446.345 5.187 50 0 IKAARN Cc1cc(Nc2nc(C(=O)NC3CCCCCC3)cc3occc32)ccc1Br ZINC000085651213 568831853 /nfs/dbraw/zinc/83/18/53/568831853.db2.gz DAJLJGGGFWKBMO-UHFFFAOYSA-N 0 0 442.357 6.095 50 0 IKAARN CC(C)C(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000085653808 568832406 /nfs/dbraw/zinc/83/24/06/568832406.db2.gz SYAKOROIRAUTBS-UHFFFAOYSA-N 0 0 444.510 5.334 50 0 IKAARN CC(C)C(=O)Nc1ccc(CCc2nc3cc(C(=O)NC4CCCCC4)ccc3[nH]2)cc1 ZINC000085653845 568832593 /nfs/dbraw/zinc/83/25/93/568832593.db2.gz JJJQIZPDZFEOJT-UHFFFAOYSA-N 0 0 432.568 5.005 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@H](C)Cc3ccco3)cc2)nc1CN1CCc2ccccc21 ZINC000015785956 568834304 /nfs/dbraw/zinc/83/43/04/568834304.db2.gz PHUGLYLXNNTDIT-GOSISDBHSA-N 0 0 441.531 5.167 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccs3)cc2)nc1CN1CCc2ccccc21 ZINC000015785950 568834343 /nfs/dbraw/zinc/83/43/43/568834343.db2.gz OOCFFFVSWCOUET-UHFFFAOYSA-N 0 0 429.545 5.204 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2cccc(N(C)C)c2)c1C ZINC000085711070 568835055 /nfs/dbraw/zinc/83/50/55/568835055.db2.gz UAENIGLXOLTVJX-UHFFFAOYSA-N 0 0 447.579 5.025 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2ccccc2Cl)c1C ZINC000085712127 568835351 /nfs/dbraw/zinc/83/53/51/568835351.db2.gz RPZBQALDTVFGMU-UHFFFAOYSA-N 0 0 429.904 5.289 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)Nc2cccc(C)c2)c1C ZINC000085712041 568835435 /nfs/dbraw/zinc/83/54/35/568835435.db2.gz KSVHYWUKUBZIRR-UHFFFAOYSA-N 0 0 449.551 5.360 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccc(F)cc2F)C2CCCCC2)c1C ZINC000085712369 568835504 /nfs/dbraw/zinc/83/55/04/568835504.db2.gz UUKPHTMATCSVBQ-UHFFFAOYSA-N 0 0 433.499 5.453 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cc(F)ccc2F)C2CCCCC2)c1C ZINC000085712339 568835584 /nfs/dbraw/zinc/83/55/84/568835584.db2.gz YLTUDGKJZJGUSF-UHFFFAOYSA-N 0 0 433.499 5.453 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)C(=O)c2cccs2)c1C ZINC000085711664 568835683 /nfs/dbraw/zinc/83/56/83/568835683.db2.gz MCURAGWQPOVMKS-UHFFFAOYSA-N 0 0 430.957 5.366 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2Cl)C(=O)c2ccc(F)cc2)c1C ZINC000085711780 568835932 /nfs/dbraw/zinc/83/59/32/568835932.db2.gz PYDVMJCWNZTQTO-UHFFFAOYSA-N 0 0 442.918 5.443 50 0 IKAARN O=C(Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)c1ccccc1Cl ZINC000001510044 568836060 /nfs/dbraw/zinc/83/60/60/568836060.db2.gz SOLWDEVEGTWVBG-UHFFFAOYSA-N 0 0 442.327 6.108 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccccc2C)c1C ZINC000085711872 568836100 /nfs/dbraw/zinc/83/61/00/568836100.db2.gz ITWROQYRHYGLMZ-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)c1C ZINC000085711869 568836104 /nfs/dbraw/zinc/83/61/04/568836104.db2.gz QKXSMPQPGDAIKD-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(-c3ccccc3)cc1)CC(=O)N2 ZINC000001509788 568836132 /nfs/dbraw/zinc/83/61/32/568836132.db2.gz LPTBYMNSNVHQNO-MUUNZHRXSA-N 0 0 432.523 5.846 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC3 ZINC000000688545 568836470 /nfs/dbraw/zinc/83/64/70/568836470.db2.gz IVRDOXSPENJKCO-UHFFFAOYSA-N 0 0 425.863 5.682 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)cc1 ZINC000001088873 568836608 /nfs/dbraw/zinc/83/66/08/568836608.db2.gz UPQXKRGBWRTVPJ-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN Cc1c2ccccc2oc1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000001095685 568836627 /nfs/dbraw/zinc/83/66/27/568836627.db2.gz MTVZBGNIUOCXED-UHFFFAOYSA-N 0 0 445.544 5.259 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000001511137 568836648 /nfs/dbraw/zinc/83/66/48/568836648.db2.gz VMRBHKJRMFAOKX-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cccs1 ZINC000001077423 568836682 /nfs/dbraw/zinc/83/66/82/568836682.db2.gz VNGFICMAVCWLGG-UHFFFAOYSA-N 0 0 446.907 5.430 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000001511323 568837484 /nfs/dbraw/zinc/83/74/84/568837484.db2.gz GJPKZVNHYZRYEO-AREMUKBSSA-N 0 0 442.584 6.230 50 0 IKAARN COc1cccc(CC[C@]2(O)CCC[C@@H]3[C@H]2CCC[C@]3(O)CCc2cccc(OC)c2)c1 ZINC000247907086 568837657 /nfs/dbraw/zinc/83/76/57/568837657.db2.gz IPWGEHIMZTUZSY-HPQIJTKRSA-N 0 0 438.608 5.332 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)c1C ZINC000000688349 568837947 /nfs/dbraw/zinc/83/79/47/568837947.db2.gz NPMACHOPAAPCAT-UHFFFAOYSA-N 0 0 447.507 6.495 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1C ZINC000002381400 568838321 /nfs/dbraw/zinc/83/83/21/568838321.db2.gz JKBJKRKKFFXXIA-UHFFFAOYSA-N 0 0 426.545 5.553 50 0 IKAARN CCc1ccc(-c2cc(C(=O)O[C@H](CC)C(=O)c3ccccc3)c3cc(C)ccc3n2)cc1 ZINC000002079475 568838359 /nfs/dbraw/zinc/83/83/59/568838359.db2.gz PWQFSFARZPCUQH-HHHXNRCGSA-N 0 0 437.539 6.591 50 0 IKAARN O=C(Nc1nc2ccc(Br)cc2s1)c1cccc(Oc2ccccc2)c1 ZINC000001516588 568839570 /nfs/dbraw/zinc/83/95/70/568839570.db2.gz SXHINVKFOGJWQN-UHFFFAOYSA-N 0 0 425.307 6.103 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000015821234 568839886 /nfs/dbraw/zinc/83/98/86/568839886.db2.gz RGQLDWZKKPMJAU-QHCPKHFHSA-N 0 0 431.923 5.989 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Br)cc2)cc1 ZINC000015822550 568839979 /nfs/dbraw/zinc/83/99/79/568839979.db2.gz NUXDHKFLBSCVJI-XMMPIXPASA-N 0 0 445.360 6.027 50 0 biogenic IKAARN O=C(c1ccc(Br)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015822527 568840030 /nfs/dbraw/zinc/84/00/30/568840030.db2.gz BMWPAUPVZHPIJG-QHCPKHFHSA-N 0 0 449.323 5.857 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1 ZINC000015822630 568840057 /nfs/dbraw/zinc/84/00/57/568840057.db2.gz IHYDZULOTQPUIQ-AREMUKBSSA-N 0 0 444.625 6.156 50 0 IKAARN O=C(CSc1nccn1Cc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000015825506 568840519 /nfs/dbraw/zinc/84/05/19/568840519.db2.gz KGZSYIYQGFTGKL-UHFFFAOYSA-N 0 0 425.863 5.334 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1Cl ZINC000015826562 568840690 /nfs/dbraw/zinc/84/06/90/568840690.db2.gz RTJCNPUEOIERPQ-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN CCCN1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000015826522 568840772 /nfs/dbraw/zinc/84/07/72/568840772.db2.gz CTWCWJALASDODG-UHFFFAOYSA-N 0 0 436.559 5.132 50 0 IKAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000015830304 568841395 /nfs/dbraw/zinc/84/13/95/568841395.db2.gz BRKALXQEDYKGLO-LJQANCHMSA-N 0 0 428.355 5.578 50 0 IKAARN COc1ccc2cc3cc(C(=O)N(C)c4cc(Cl)ccc4OC)sc3nc2c1Cl ZINC000015828465 568841408 /nfs/dbraw/zinc/84/14/08/568841408.db2.gz WNJNVDDHUMQHBQ-UHFFFAOYSA-N 0 0 447.343 6.050 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004542421 568841811 /nfs/dbraw/zinc/84/18/11/568841811.db2.gz ZRWXDFSGYPPDDQ-UHFFFAOYSA-N 0 0 432.147 6.049 50 0 IKAARN Cc1ccc(-n2c(-c3ccc4c(c3)OCO4)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000004541712 568841821 /nfs/dbraw/zinc/84/18/21/568841821.db2.gz WTMCKAKXRNQTQL-UHFFFAOYSA-N 0 0 430.507 6.910 50 0 IKAARN Cc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c1C(=O)Nc1ccccc1 ZINC000004542960 568841885 /nfs/dbraw/zinc/84/18/85/568841885.db2.gz JMUYXVVNYZEWKB-UHFFFAOYSA-N 0 0 439.490 6.009 50 0 IKAARN O=C(Nc1ccc(I)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001752611 568841955 /nfs/dbraw/zinc/84/19/55/568841955.db2.gz BLXKEMBIAOBRGH-UHFFFAOYSA-N 0 0 440.590 5.607 50 0 IKAARN CCCCOP(=O)(CCCP(=O)(OCCCC)OCCCC)OCCCC ZINC000004800455 568841976 /nfs/dbraw/zinc/84/19/76/568841976.db2.gz UBGPJXVVLLJRRU-UHFFFAOYSA-N 0 0 428.487 7.030 50 0 IKAARN O=C(CCCCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000003059708 568842131 /nfs/dbraw/zinc/84/21/31/568842131.db2.gz UZUNMXKLSLBCEC-UHFFFAOYSA-N 0 0 434.150 6.438 50 0 IKAARN O=C(Nc1ccccc1Cl)Oc1c(Cl)cc(Br)cc1Br ZINC000002167148 568842163 /nfs/dbraw/zinc/84/21/63/568842163.db2.gz ACQYCVISBSMQCM-UHFFFAOYSA-N 0 0 439.918 6.129 50 0 IKAARN Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 ZINC000015832840 568842214 /nfs/dbraw/zinc/84/22/14/568842214.db2.gz UWHYYMNLZKZCHV-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000036372909 568842377 /nfs/dbraw/zinc/84/23/77/568842377.db2.gz NHYYOSCGYDQLFO-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C2CCCCC2)cc1 ZINC000036372925 568842379 /nfs/dbraw/zinc/84/23/79/568842379.db2.gz UHFYHZVFSDUZRR-FYYLOGMGSA-N 0 0 431.363 6.452 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1ccccc1)O2 ZINC000033687412 568842392 /nfs/dbraw/zinc/84/23/92/568842392.db2.gz BLUZJURWLHNTCL-AZGAKELHSA-N 0 0 445.349 7.389 50 0 IKAARN C[C@H](C(=O)c1ccccc1)c1cc(Br)ccc1-c1ccc(Br)cc1 ZINC000025693525 568842731 /nfs/dbraw/zinc/84/27/31/568842731.db2.gz YSKUGOPZABFFAG-AWEZNQCLSA-N 0 0 444.166 6.865 50 0 IKAARN CCCN(CCC)C(=S)SCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000039959669 568842904 /nfs/dbraw/zinc/84/29/04/568842904.db2.gz MYPJSZIUPJJYEV-JOCHJYFZSA-N 0 0 439.650 5.504 50 0 IKAARN CCCc1c(O)c(C(C)=O)ccc1OCCCCOc1ccc(CC(=O)OC)cc1Cl ZINC000038969626 568842908 /nfs/dbraw/zinc/84/29/08/568842908.db2.gz FLVNBUMUSIVJEV-UHFFFAOYSA-N 0 0 448.943 5.154 50 0 IKAARN O=C(c1oc2ccccc2c1-c1ccn2nc(-c3ccc(Cl)cc3)cc2n1)c1ccccc1 ZINC000043573933 568843137 /nfs/dbraw/zinc/84/31/37/568843137.db2.gz JLUVWIQGEWYEGB-UHFFFAOYSA-N 0 0 449.897 6.694 50 0 IKAARN c1ccc([C@H]2OCC[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1 ZINC000043763382 568843192 /nfs/dbraw/zinc/84/31/92/568843192.db2.gz QTYBYBJRXWKEHC-VMPREFPWSA-N 0 0 436.551 6.499 50 0 IKAARN Brc1cc(-c2ccccc2)cc(Br)c1I ZINC000071782740 568843268 /nfs/dbraw/zinc/84/32/68/568843268.db2.gz KHSXOXKSILOGKN-UHFFFAOYSA-N 0 0 437.900 5.483 50 0 IKAARN Cc1ccccc1-c1cc(-c2ccccc2C)c(-c2ccccc2C)cc1-c1ccccc1C ZINC000071782696 568843329 /nfs/dbraw/zinc/84/33/29/568843329.db2.gz MWSSIBUFNPEGMP-UHFFFAOYSA-N 0 0 438.614 9.588 50 0 IKAARN CC1(C)CC(=O)C[C@]2(C1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000100729065 568843370 /nfs/dbraw/zinc/84/33/70/568843370.db2.gz HCTSMTJNYAKKHU-NZQKXSOJSA-N 0 0 429.347 6.495 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1Cl)O2 ZINC000100729285 568843375 /nfs/dbraw/zinc/84/33/75/568843375.db2.gz MBMDJBFJGOBUQY-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN C1=C[C@H]2C3C4[C@@H](C=C[C@H]4[C@@H]2CCSc2ccccc2)[C@@H](CCSc2ccccc2)[C@@H]13 ZINC000101038011 568843690 /nfs/dbraw/zinc/84/36/90/568843690.db2.gz AYZBXVIUEAERKV-NZEFANJOSA-N 0 0 430.682 7.448 50 0 IKAARN Cc1c(C)n(C2CCCCCC2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000015842412 568844691 /nfs/dbraw/zinc/84/46/91/568844691.db2.gz BTLMRNLUHZGMOP-UHFFFAOYSA-N 0 0 446.580 6.025 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000006134474 568844993 /nfs/dbraw/zinc/84/49/93/568844993.db2.gz DTSHWRJKTPTLRP-IBGZPJMESA-N 0 0 429.495 5.143 50 0 IKAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2CCCC ZINC000006130884 568845009 /nfs/dbraw/zinc/84/50/09/568845009.db2.gz KZCMDNCURHSHOT-UHFFFAOYSA-N 0 0 434.005 5.159 50 0 IKAARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccnc1Cl ZINC000015856715 568845203 /nfs/dbraw/zinc/84/52/03/568845203.db2.gz MDBIVYVJSJMZDZ-CQSZACIVSA-N 0 0 445.302 5.151 50 0 IKAARN O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(Cl)c(Cl)c3)sc2n1 ZINC000006143843 568845860 /nfs/dbraw/zinc/84/58/60/568845860.db2.gz GIFYTFFZLYDWTQ-UHFFFAOYSA-N 0 0 427.312 6.067 50 0 IKAARN CC(C)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000006146328 568846052 /nfs/dbraw/zinc/84/60/52/568846052.db2.gz VAZQEPLUOIIEGT-UHFFFAOYSA-N 0 0 425.488 5.216 50 0 IKAARN CCOc1ccc(N[C@@H](c2c3ccccc3n(C)c2-c2ccccc2)c2ccccn2)cc1 ZINC000006144149 568846081 /nfs/dbraw/zinc/84/60/81/568846081.db2.gz MBKBTDVGVNRLLV-MUUNZHRXSA-N 0 0 433.555 6.841 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccco1 ZINC000015859317 568847215 /nfs/dbraw/zinc/84/72/15/568847215.db2.gz NTFLEWZBTPBLFN-JOCHJYFZSA-N 0 0 436.895 5.353 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 ZINC000015859503 568847335 /nfs/dbraw/zinc/84/73/35/568847335.db2.gz ISELTRGCVWYDSD-XMMPIXPASA-N 0 0 446.934 5.760 50 0 IKAARN CC(C)c1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859349 568847532 /nfs/dbraw/zinc/84/75/32/568847532.db2.gz FFMUOVHKCKPZKG-RUZDIDTESA-N 0 0 444.531 5.823 50 0 IKAARN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000015859373 568847583 /nfs/dbraw/zinc/84/75/83/568847583.db2.gz NWJRNYMVJVMSBM-HSZRJFAPSA-N 0 0 448.544 5.177 50 0 IKAARN Cc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000015859415 568847671 /nfs/dbraw/zinc/84/76/71/568847671.db2.gz DRUAKRDKCFYUMS-HSZRJFAPSA-N 0 0 432.545 5.477 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 ZINC000015859517 568847676 /nfs/dbraw/zinc/84/76/76/568847676.db2.gz QUZQFYUSAOCOQE-XMMPIXPASA-N 0 0 430.479 5.246 50 0 IKAARN CC(C)c1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859350 568847690 /nfs/dbraw/zinc/84/76/90/568847690.db2.gz FFMUOVHKCKPZKG-VWLOTQADSA-N 0 0 444.531 5.823 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000015859565 568847800 /nfs/dbraw/zinc/84/78/00/568847800.db2.gz IQEZXLLTRWRYMB-VWLOTQADSA-N 0 0 426.516 5.415 50 0 IKAARN Cc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000015859534 568847902 /nfs/dbraw/zinc/84/79/02/568847902.db2.gz QOMQNVJWFQYLFI-VWLOTQADSA-N 0 0 426.516 5.415 50 0 IKAARN COc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(Br)cc2F)c1 ZINC000015861478 568848277 /nfs/dbraw/zinc/84/82/77/568848277.db2.gz SVZYUPJJNJOBJN-UHFFFAOYSA-N 0 0 441.300 5.670 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)CSc2ccccc2)c1C ZINC000015862471 568848715 /nfs/dbraw/zinc/84/87/15/568848715.db2.gz RUOCBGXQHUOHJJ-UHFFFAOYSA-N 0 0 436.577 5.129 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)CCc2ccc(OC)cc2)C2CCCCC2)c1C ZINC000015862486 568848863 /nfs/dbraw/zinc/84/88/63/568848863.db2.gz MOEJZFJNMIZKKG-UHFFFAOYSA-N 0 0 440.584 5.111 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)N4CCCCCC4)c3)C2)cc1 ZINC000015864330 568849733 /nfs/dbraw/zinc/84/97/33/568849733.db2.gz YAAYECFIBPNIKR-DEOSSOPVSA-N 0 0 433.596 5.677 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccc(OC)c(Cl)c2)c2ccc(OC(=O)C(C)C)cc21 ZINC000001522211 568849766 /nfs/dbraw/zinc/84/97/66/568849766.db2.gz UDFNKHBAWKPCTG-UHFFFAOYSA-N 0 0 429.900 5.339 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015864451 568849892 /nfs/dbraw/zinc/84/98/92/568849892.db2.gz CHFRRHUVYUQGTC-UHFFFAOYSA-N 0 0 441.409 6.475 50 0 IKAARN Cc1nc2nc(Cc3cccc(F)c3)nn2c(Nc2ccc(OC(F)(F)F)cc2)c1C ZINC000015865162 568849910 /nfs/dbraw/zinc/84/99/10/568849910.db2.gz CRFYNMICJFMCOB-UHFFFAOYSA-N 0 0 431.393 5.113 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1OC ZINC000015864446 568849922 /nfs/dbraw/zinc/84/99/22/568849922.db2.gz HGLIFLQFCSATAK-UHFFFAOYSA-N 0 0 445.475 5.633 50 0 biogenic IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2nc(C)cs2)cc1 ZINC000015864400 568849950 /nfs/dbraw/zinc/84/99/50/568849950.db2.gz CSCHFIRACFMECD-UHFFFAOYSA-N 0 0 445.548 5.132 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1OC ZINC000015865000 568849957 /nfs/dbraw/zinc/84/99/57/568849957.db2.gz OHMLVMRBKNQUIA-UHFFFAOYSA-N 0 0 436.895 5.486 50 0 IKAARN Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000015864520 568850114 /nfs/dbraw/zinc/85/01/14/568850114.db2.gz FYQYBNZAOBSWBP-XMMPIXPASA-N 0 0 427.935 6.269 50 0 IKAARN CCc1ccccc1OCc1nnc(SCc2cc(=O)c3ccc(C)c(C)c3[nH]2)n1CC ZINC000015865319 568850128 /nfs/dbraw/zinc/85/01/28/568850128.db2.gz NFNDPMBTDXWQRW-UHFFFAOYSA-N 0 0 448.592 5.190 50 0 IKAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1cccc2ccccc21 ZINC000015867197 568850711 /nfs/dbraw/zinc/85/07/11/568850711.db2.gz NXUJESYYQAEAMA-UHFFFAOYSA-N 0 0 446.557 5.696 50 0 IKAARN CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095588286 568850853 /nfs/dbraw/zinc/85/08/53/568850853.db2.gz AHFLGPTXSIRAQK-UHFFFAOYSA-N 0 0 445.441 6.714 50 0 in-vitro IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868206 568850989 /nfs/dbraw/zinc/85/09/89/568850989.db2.gz JRXISXXEUIAIMH-CYBMUJFWSA-N 0 0 429.332 5.571 50 0 IKAARN CSc1cccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000015868187 568851073 /nfs/dbraw/zinc/85/10/73/568851073.db2.gz IKMLJONDDRWXTN-UHFFFAOYSA-N 0 0 443.454 5.093 50 0 IKAARN Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@@H](c1cccs1)CC(=O)N2 ZINC000015868316 568851263 /nfs/dbraw/zinc/85/12/63/568851263.db2.gz PZLVPWQIOXPCLE-LLVKDONJSA-N 0 0 445.367 5.089 50 0 IKAARN O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2S(=O)(=O)N1Cc1ccccc1 ZINC000015868369 568851290 /nfs/dbraw/zinc/85/12/90/568851290.db2.gz ARLPEXBLLGOLOR-UHFFFAOYSA-N 0 0 446.450 5.037 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(C(C)(C)C)s1)CC(=O)N2 ZINC000015868348 568851318 /nfs/dbraw/zinc/85/13/18/568851318.db2.gz BAGQFLVINATDTD-AWEZNQCLSA-N 0 0 436.606 5.932 50 0 IKAARN CCn1c(CCc2cccc(NS(=O)(=O)c3ccc(C)cc3C)c2)nc2ccccc21 ZINC000015870473 568851604 /nfs/dbraw/zinc/85/16/04/568851604.db2.gz XVVUUYKWNOAPKP-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(CC(C)C)cc3)ccc2s1 ZINC000015870412 568851638 /nfs/dbraw/zinc/85/16/38/568851638.db2.gz ZYQGZYDIZUAPGA-UHFFFAOYSA-N 0 0 431.583 5.034 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1C ZINC000015870251 568851747 /nfs/dbraw/zinc/85/17/47/568851747.db2.gz VMYXSDMXHMPCBO-UHFFFAOYSA-N 0 0 443.594 5.233 50 0 IKAARN CCn1c(CCc2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)nc2ccccc21 ZINC000015870451 568851782 /nfs/dbraw/zinc/85/17/82/568851782.db2.gz HVJFESMDGPRURX-UHFFFAOYSA-N 0 0 447.604 5.567 50 0 IKAARN Cn1c(CCc2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2)nc2ccccc21 ZINC000015870538 568851870 /nfs/dbraw/zinc/85/18/70/568851870.db2.gz PXNCDZNVOJTJCZ-UHFFFAOYSA-N 0 0 445.588 5.038 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870550 568851891 /nfs/dbraw/zinc/85/18/91/568851891.db2.gz FTOLRYCNPUIOPL-UHFFFAOYSA-N 0 0 447.604 5.358 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000015870654 568851959 /nfs/dbraw/zinc/85/19/59/568851959.db2.gz HQIKCOQHMXIONC-UHFFFAOYSA-N 0 0 433.577 5.283 50 0 IKAARN CCn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000015870487 568851999 /nfs/dbraw/zinc/85/19/99/568851999.db2.gz BWIUDHIKPWCJLY-UHFFFAOYSA-N 0 0 439.968 5.296 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccccc3CC)cc2)nc2ccccc21 ZINC000015870787 568852188 /nfs/dbraw/zinc/85/21/88/568852188.db2.gz PJFXIYZBGRNREK-UHFFFAOYSA-N 0 0 447.604 5.595 50 0 IKAARN CCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc2ccccc21 ZINC000006176764 568852518 /nfs/dbraw/zinc/85/25/18/568852518.db2.gz TVSBUJPNNWXRLQ-UHFFFAOYSA-N 0 0 448.519 5.446 50 0 IKAARN O=c1[nH]c(SCc2ccccc2F)nc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000015879619 568854052 /nfs/dbraw/zinc/85/40/52/568854052.db2.gz BLLFSPGDZNQRQA-UHFFFAOYSA-N 0 0 437.443 5.497 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000015880245 568854292 /nfs/dbraw/zinc/85/42/92/568854292.db2.gz BTDWBLWAGKTPCL-UHFFFAOYSA-N 0 0 429.998 5.086 50 0 IKAARN CCOc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880648 568854848 /nfs/dbraw/zinc/85/48/48/568854848.db2.gz TUBZUSRAPLMWBL-UHFFFAOYSA-N 0 0 430.917 5.020 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880662 568854859 /nfs/dbraw/zinc/85/48/59/568854859.db2.gz KMKJUFBDRJRARX-UHFFFAOYSA-N 0 0 435.336 5.584 50 0 IKAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000015880656 568854973 /nfs/dbraw/zinc/85/49/73/568854973.db2.gz CDGHHKMCEKYAFZ-UHFFFAOYSA-N 0 0 439.299 5.414 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881185 568855181 /nfs/dbraw/zinc/85/51/81/568855181.db2.gz WHNBZOYWIUZRLQ-UHFFFAOYSA-N 0 0 437.923 5.893 50 0 IKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)N2CCC(Cc3ccccc3)CC2)o1 ZINC000015881487 568855288 /nfs/dbraw/zinc/85/52/88/568855288.db2.gz UYXBGVLVODRWSV-UHFFFAOYSA-N 0 0 442.563 5.296 50 0 IKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000015881515 568855349 /nfs/dbraw/zinc/85/53/49/568855349.db2.gz QHDCUNYQYUFTHK-UHFFFAOYSA-N 0 0 444.413 5.352 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(ccc(C)c3C)s2)cc1OC ZINC000015881805 568856064 /nfs/dbraw/zinc/85/60/64/568856064.db2.gz DOMORHTWCHETIO-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN COc1cccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1OC ZINC000015881817 568856118 /nfs/dbraw/zinc/85/61/18/568856118.db2.gz VWBDODOTWLEGTR-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3Cl)s2)c1OC ZINC000015881820 568856150 /nfs/dbraw/zinc/85/61/50/568856150.db2.gz RASAXJNZVHVZIY-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN COc1cccc2sc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nc21 ZINC000015882408 568856429 /nfs/dbraw/zinc/85/64/29/568856429.db2.gz JTUIXMROAFNYFC-UHFFFAOYSA-N 0 0 445.544 5.060 50 0 IKAARN CC(C)(C)P(=NC(=S)NNc1ccccc1)(N1CCCCCC1)N1CCCCCC1 ZINC000015906301 568858453 /nfs/dbraw/zinc/85/84/53/568858453.db2.gz PJXSYGYSBJMQGC-UHFFFAOYSA-N 0 0 449.649 6.470 50 0 IKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCc1ccccc1 ZINC000015906735 568858473 /nfs/dbraw/zinc/85/84/73/568858473.db2.gz HBXAPCHDKBKPMO-JUKYZOBSSA-N 0 0 428.299 7.529 50 0 IKAARN O=C1c2ccccc2C(=CNc2cccc(Cl)c2)C(=O)N1c1ccccc1C(F)(F)F ZINC000015906005 568858481 /nfs/dbraw/zinc/85/84/81/568858481.db2.gz QOPZXDMPZWAEAB-AQTBWJFISA-N 0 0 442.824 5.999 50 0 IKAARN Cc1ccc(NC(=S)N=[P@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1Cl ZINC000015905894 568858506 /nfs/dbraw/zinc/85/85/06/568858506.db2.gz TVNYIDAVRMCLDM-MUUNZHRXSA-N 0 0 449.988 5.918 50 0 IKAARN CCCCCOc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(OCCCCC)cc2)cc1 ZINC000015905883 568858532 /nfs/dbraw/zinc/85/85/32/568858532.db2.gz HPKSGVLDXMGMEW-UIOOFZCWSA-N 0 0 444.568 5.981 50 0 IKAARN Cc1ccc(OCCn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000015913165 568858739 /nfs/dbraw/zinc/85/87/39/568858739.db2.gz VXNIUXDZZNFHME-UHFFFAOYSA-N 0 0 427.331 6.310 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000015912059 568858749 /nfs/dbraw/zinc/85/87/49/568858749.db2.gz GWDVJJWLRCIVFD-INIZCTEOSA-N 0 0 438.358 6.191 50 0 IKAARN O=C(c1ccccc1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000026131629 568860161 /nfs/dbraw/zinc/86/01/61/568860161.db2.gz GWCNQFAAEHTVHD-SFHVURJKSA-N 0 0 432.467 5.655 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000015980199 568861843 /nfs/dbraw/zinc/86/18/43/568861843.db2.gz QCRNBXSBDHINEP-UHFFFAOYSA-N 0 0 447.487 5.231 50 0 IKAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012936022 568864931 /nfs/dbraw/zinc/86/49/31/568864931.db2.gz SROFTRMKPSYNKQ-UHFFFAOYSA-N 0 0 445.588 5.298 50 0 IKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC000012937185 568865970 /nfs/dbraw/zinc/86/59/70/568865970.db2.gz JBAANGNDMGUZJK-UHFFFAOYSA-N 0 0 439.924 6.124 50 0 IKAARN COc1cccc(C(=O)n2nc(Nc3ccccc3OC)cc2Nc2ccccc2OC)c1 ZINC000575442791 568867689 /nfs/dbraw/zinc/86/76/89/568867689.db2.gz AKTGIQABHZNKAI-UHFFFAOYSA-N 0 0 444.491 5.085 50 0 IKAARN COc1ccc(C(=O)n2nc(Nc3ccccc3OC)cc2Nc2ccccc2OC)cc1 ZINC000575443005 568868403 /nfs/dbraw/zinc/86/84/03/568868403.db2.gz MXRLCELGPCFAHY-UHFFFAOYSA-N 0 0 444.491 5.085 50 0 IKAARN CCCCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016044041 568868716 /nfs/dbraw/zinc/86/87/16/568868716.db2.gz RIYZGVZKORHVKM-CABCVRRESA-N 0 0 438.351 5.595 50 0 IKAARN CC(C)[C@@H](C)NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000016046107 568868839 /nfs/dbraw/zinc/86/88/39/568868839.db2.gz CCVACHKKEVLMLC-OAHLLOKOSA-N 0 0 428.583 5.327 50 0 IKAARN Cc1cc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)c2ccccc2n1 ZINC000006183474 568870079 /nfs/dbraw/zinc/87/00/79/568870079.db2.gz LPPDIPKPEISFLI-UHFFFAOYSA-N 0 0 425.513 5.837 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000012945277 568870791 /nfs/dbraw/zinc/87/07/91/568870791.db2.gz RUBBXNWTDMWONF-UHFFFAOYSA-N 0 0 427.504 5.373 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCSc5ccccc54)cc3)o2)cc1 ZINC000012946051 568870917 /nfs/dbraw/zinc/87/09/17/568870917.db2.gz SCUVLPNJQCJOJT-NRFANRHFSA-N 0 0 427.529 5.679 50 0 IKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 ZINC000012946455 568871247 /nfs/dbraw/zinc/87/12/47/568871247.db2.gz SCOTYUYPXHSPME-UHFFFAOYSA-N 0 0 432.661 5.459 50 0 IKAARN C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(-c5ccccc5)cc4)cc3cc21 ZINC000584906204 568872517 /nfs/dbraw/zinc/87/25/17/568872517.db2.gz LNKDBUWCFZOZLD-SFHVURJKSA-N 0 0 437.539 6.413 50 0 IKAARN COc1ccc(-c2noc([C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)(C)C)n2)cc1 ZINC000585152306 568873008 /nfs/dbraw/zinc/87/30/08/568873008.db2.gz NBFKWNKXNPHVFE-QGZVFWFLSA-N 0 0 434.323 5.569 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000016227248 568873469 /nfs/dbraw/zinc/87/34/69/568873469.db2.gz NXRPBKZUOWHWDZ-NRFANRHFSA-N 0 0 438.886 5.488 50 0 IKAARN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@@H](C)c4ccc(F)cc4)c(=O)c23)cc1 ZINC000016266324 568875084 /nfs/dbraw/zinc/87/50/84/568875084.db2.gz DYEXEKOGEDKTER-KRWDZBQOSA-N 0 0 449.551 5.182 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000006200379 568877209 /nfs/dbraw/zinc/87/72/09/568877209.db2.gz XISMDLGZMIRUTE-SELVFMLMSA-N 0 0 426.004 5.536 50 0 IKAARN Cc1ccc(C)c(OCc2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 ZINC000026491990 568879365 /nfs/dbraw/zinc/87/93/65/568879365.db2.gz MGUHZUJSMJNXKV-JOCHJYFZSA-N 0 0 437.565 5.111 50 0 IKAARN CCOc1cc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc(OCC)c1OCC ZINC000001173336 568880535 /nfs/dbraw/zinc/88/05/35/568880535.db2.gz VZJLLIGDFWRFDR-UHFFFAOYSA-N 0 0 438.549 5.163 50 0 IKAARN CC1(C)[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000006232715 568880676 /nfs/dbraw/zinc/88/06/76/568880676.db2.gz LNTSHRPDUYJBSW-WXHSDQCUSA-N 0 0 433.565 5.944 50 0 IKAARN Cc1ccc(OCc2nnc(NC(=O)c3ccc(-c4ccccc4Cl)o3)s2)cc1 ZINC000035374220 568880793 /nfs/dbraw/zinc/88/07/93/568880793.db2.gz VAOXYNGQIQDAGC-UHFFFAOYSA-N 0 0 425.897 5.591 50 0 IKAARN Cc1oc(-c2cccs2)nc1C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000063969707 568881086 /nfs/dbraw/zinc/88/10/86/568881086.db2.gz AYDPEANAWKBIJX-UHFFFAOYSA-N 0 0 436.276 5.425 50 0 IKAARN Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000006280259 568881703 /nfs/dbraw/zinc/88/17/03/568881703.db2.gz WKESQNOLJQQHQA-IBGZPJMESA-N 0 0 444.560 5.274 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N[C@@H](C)c1nn(CC)cc1C ZINC000006286762 568881799 /nfs/dbraw/zinc/88/17/99/568881799.db2.gz RRRKWCVKRSZEBA-HNNXBMFYSA-N 0 0 442.610 5.164 50 0 IKAARN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064027208 568882157 /nfs/dbraw/zinc/88/21/57/568882157.db2.gz HXHAQBZSYAWRJP-UHFFFAOYSA-N 0 0 433.360 5.785 50 0 IKAARN Cc1cc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)ccc1Br ZINC000035478600 568882719 /nfs/dbraw/zinc/88/27/19/568882719.db2.gz ALBWZZBRZAIGEN-UHFFFAOYSA-N 0 0 442.332 5.815 50 0 IKAARN Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1Cl ZINC000009508664 568883384 /nfs/dbraw/zinc/88/33/84/568883384.db2.gz LMEYXMGDTWFYJZ-UHFFFAOYSA-N 0 0 434.952 5.533 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)N(C)Cc1ccccc1 ZINC000009864136 568884333 /nfs/dbraw/zinc/88/43/33/568884333.db2.gz LFAVKVBASDHEJO-KRWDZBQOSA-N 0 0 431.536 5.575 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1Br ZINC000013011606 568887552 /nfs/dbraw/zinc/88/75/52/568887552.db2.gz GFZKBNADJLASHP-UHFFFAOYSA-N 0 0 442.310 5.123 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2ccc(F)cc2)nn1C ZINC000090593268 568888923 /nfs/dbraw/zinc/88/89/23/568888923.db2.gz DPHWULMLTXMMPM-UHFFFAOYSA-N 0 0 440.931 5.242 50 0 IKAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)CSc1nc2ccccc2s1 ZINC000090592924 568888946 /nfs/dbraw/zinc/88/89/46/568888946.db2.gz FNEYQZSHLWXNBR-UHFFFAOYSA-N 0 0 429.567 5.276 50 0 IKAARN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1ccc(Cl)cc1Cl ZINC000090594504 568889344 /nfs/dbraw/zinc/88/93/44/568889344.db2.gz MOTROQYIYFOWDU-QGZVFWFLSA-N 0 0 447.297 5.080 50 0 IKAARN COc1ccc(Nc2ccn(-c3nc(-c4ccccc4)oc3-c3ccccc3)c(=O)n2)cc1 ZINC000001738754 568889525 /nfs/dbraw/zinc/88/95/25/568889525.db2.gz IAQOCTUELVVXFY-UHFFFAOYSA-N 0 0 436.471 5.307 50 0 biogenic IKAARN O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)Nc1ccccc1C(F)(F)F ZINC000090607091 568889782 /nfs/dbraw/zinc/88/97/82/568889782.db2.gz YJACQPOEQPPXII-UHFFFAOYSA-N 0 0 434.487 6.067 50 0 IKAARN CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000090607572 568889898 /nfs/dbraw/zinc/88/98/98/568889898.db2.gz YCLZGZZPBKNPSI-UHFFFAOYSA-N 0 0 438.515 5.213 50 0 IKAARN Cc1cccc(C)c1NC=C1c2ccccc2C(=O)N(c2ccc(-c3ccccc3)cc2)C1=O ZINC000102931558 568890818 /nfs/dbraw/zinc/89/08/18/568890818.db2.gz UXAUOYXSSUQWNQ-ZXVVBBHZSA-N 0 0 444.534 6.610 50 0 IKAARN Cc1csc(SCC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 ZINC000090608096 568891015 /nfs/dbraw/zinc/89/10/15/568891015.db2.gz XUBNAPZDGVXNKK-UHFFFAOYSA-N 0 0 431.410 5.168 50 0 IKAARN CCOc1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc(Br)c1OC ZINC000012977434 568891171 /nfs/dbraw/zinc/89/11/71/568891171.db2.gz WWJSRCWJIFWNIZ-GQCTYLIASA-N 0 0 439.733 5.239 50 0 IKAARN CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)s2)cc1 ZINC000012979735 568892115 /nfs/dbraw/zinc/89/21/15/568892115.db2.gz CNBDTENCYHSBNK-UHFFFAOYSA-N 0 0 435.593 5.317 50 0 IKAARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000013098691 568892817 /nfs/dbraw/zinc/89/28/17/568892817.db2.gz GTXVLIZFTUCNDG-DTQAZKPQSA-N 0 0 440.930 6.737 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCCCc4ccccc4)n3)o2)cc1 ZINC000035560764 568893521 /nfs/dbraw/zinc/89/35/21/568893521.db2.gz KZZIBZZECYHNCC-UHFFFAOYSA-N 0 0 437.503 5.400 50 0 IKAARN O=C(/C=C/c1cccs1)N(CCc1ccccc1)C1(C(=O)Nc2ccccc2)CCCC1 ZINC000015980661 568894063 /nfs/dbraw/zinc/89/40/63/568894063.db2.gz XNDDPMLXDFINIM-FOCLMDBBSA-N 0 0 444.600 5.784 50 0 IKAARN O=C(COc1ccc(Br)cc1F)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012981717 568894634 /nfs/dbraw/zinc/89/46/34/568894634.db2.gz GAHVOYLXKPXALU-IBGZPJMESA-N 0 0 438.293 5.073 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000030471715 568895592 /nfs/dbraw/zinc/89/55/92/568895592.db2.gz DEMLTRWTYLFMOW-ZHACJKMWSA-N 0 0 439.874 5.401 50 0 IKAARN COc1ccc(C=C(NC(=O)c2ccccc2)c2nc3cc(Cl)ccc3[nH]2)cc1OC ZINC000033691787 568896040 /nfs/dbraw/zinc/89/60/40/568896040.db2.gz HRSXSWWHSPEDHY-NDENLUEZSA-N 0 0 433.895 5.162 50 0 IKAARN CC(C)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088245 568896474 /nfs/dbraw/zinc/89/64/74/568896474.db2.gz WOFFLZNXWAUAAW-UHFFFAOYSA-N 0 0 443.346 7.196 50 0 IKAARN CN(C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000040134796 568896546 /nfs/dbraw/zinc/89/65/46/568896546.db2.gz RACCLADVNPHGKG-SDNYCIMKSA-N 0 0 430.857 6.015 50 0 IKAARN Cc1ccc(-c2noc(-c3c4c(sc3NC(=O)c3ccc(Cl)cc3)CCCC4)n2)cc1 ZINC000035671269 568897165 /nfs/dbraw/zinc/89/71/65/568897165.db2.gz GHDQUHVKBLBMBU-UHFFFAOYSA-N 0 0 449.963 6.558 50 0 IKAARN CCc1ccc([C@@H](NC(=O)Cc2csc(-c3ccccn3)n2)c2cccc(F)c2)cc1 ZINC000013004795 568898923 /nfs/dbraw/zinc/89/89/23/568898923.db2.gz JWVSXSSIARSGFK-XMMPIXPASA-N 0 0 431.536 5.355 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000103005039 568900529 /nfs/dbraw/zinc/90/05/29/568900529.db2.gz RKWVKGJLVJIACN-BUVRLJJBSA-N 0 0 426.516 5.256 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3C)C2=O)cc1 ZINC000103004320 568900550 /nfs/dbraw/zinc/90/05/50/568900550.db2.gz NSDLPRZVJYUDRM-HYARGMPZSA-N 0 0 432.907 5.293 50 0 IKAARN CCCCc1ccc(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1 ZINC000103004734 568900566 /nfs/dbraw/zinc/90/05/66/568900566.db2.gz WMLRAGQWHLFEQS-OQKWZONESA-N 0 0 430.935 6.323 50 0 IKAARN CCCCc1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000103004737 568900611 /nfs/dbraw/zinc/90/06/11/568900611.db2.gz ALXZSEFEQIYNNV-NLRVBDNBSA-N 0 0 440.543 5.673 50 0 IKAARN Cc1cccc(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1C ZINC000103005129 568900753 /nfs/dbraw/zinc/90/07/53/568900753.db2.gz CMGGYAOPBJECMM-KGENOOAVSA-N 0 0 436.433 5.962 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(C)c3)C2=O)cc1 ZINC000103005102 568900899 /nfs/dbraw/zinc/90/08/99/568900899.db2.gz VPZXOEQOXCPJFL-LFVJCYFKSA-N 0 0 440.499 5.120 50 0 IKAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3F)cc21 ZINC000001744062 568901029 /nfs/dbraw/zinc/90/10/29/568901029.db2.gz HLLAQPTUVAYYGB-UHFFFAOYSA-N 0 0 437.261 5.025 50 0 IKAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 ZINC000013012113 568901094 /nfs/dbraw/zinc/90/10/94/568901094.db2.gz JBDZUXIUAHXIMU-UHFFFAOYSA-N 0 0 426.472 5.284 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(Sc2nc3ccccc3c(-c3ccccc3)n2)o1 ZINC000013014192 568901831 /nfs/dbraw/zinc/90/18/31/568901831.db2.gz WJHAEVVESFZXJE-OAHLLOKOSA-N 0 0 444.491 6.110 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000001746103 568903354 /nfs/dbraw/zinc/90/33/54/568903354.db2.gz ONGSCJDAVFUXHK-UHFFFAOYSA-N 0 0 444.328 6.015 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1sc2ccccc2c1Cl ZINC000001747309 568904124 /nfs/dbraw/zinc/90/41/24/568904124.db2.gz PXFNJASUYGAWJS-UHFFFAOYSA-N 0 0 439.323 7.269 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001746556 568904151 /nfs/dbraw/zinc/90/41/51/568904151.db2.gz TYTWZJWNOZULHL-SFHVURJKSA-N 0 0 428.623 5.745 50 0 IKAARN Cc1ccc(COc2ccc3c(c2)oc(C(F)(F)F)c(Oc2cccc(C)c2)c3=O)cc1 ZINC000001748207 568904394 /nfs/dbraw/zinc/90/43/94/568904394.db2.gz ZDTZKSYTRKYMFW-UHFFFAOYSA-N 0 0 440.417 6.800 50 0 IKAARN CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000004284411 568904408 /nfs/dbraw/zinc/90/44/08/568904408.db2.gz CCORPVHYPHHRKB-NXUCFJMCSA-N 0 0 442.728 8.350 50 0 IKAARN O=c1nc2n(c3ccccc13)Cc1ccccc1C2(Cc1ccccc1)Cc1ccccc1 ZINC000001751959 568904610 /nfs/dbraw/zinc/90/46/10/568904610.db2.gz LQCWHPAVCSSNCR-UHFFFAOYSA-N 0 0 428.535 5.530 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000001748764 568904663 /nfs/dbraw/zinc/90/46/63/568904663.db2.gz TYWRMIRADYQBQF-UHFFFAOYSA-N 0 0 434.520 6.447 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccccc3Cl)nc2-c2ccc(OC)cc2)cc1 ZINC000001756669 568905111 /nfs/dbraw/zinc/90/51/11/568905111.db2.gz GKCYTDCWTXDLIF-UHFFFAOYSA-N 0 0 449.963 6.169 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccccc2)n1CCc1ccccc1)CCCC3 ZINC000001762551 568905614 /nfs/dbraw/zinc/90/56/14/568905614.db2.gz BOAFUSODXCSWNB-UHFFFAOYSA-N 0 0 432.614 5.872 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001764011 568905691 /nfs/dbraw/zinc/90/56/91/568905691.db2.gz PFWYNFCZPMOLFK-UHFFFAOYSA-N 0 0 442.650 6.279 50 0 IKAARN O=C1C(Cl)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000001766024 568905713 /nfs/dbraw/zinc/90/57/13/568905713.db2.gz NSHMINCAARDUJD-UHFFFAOYSA-N 0 0 437.326 5.366 50 0 IKAARN Cc1cccc(Cc2cnc(NC(=O)CCCOc3ccc(Br)cc3)s2)c1 ZINC000001769912 568905969 /nfs/dbraw/zinc/90/59/69/568905969.db2.gz XEJPWHXGGIQBKM-UHFFFAOYSA-N 0 0 445.382 5.603 50 0 IKAARN CCCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 ZINC000001769907 568905987 /nfs/dbraw/zinc/90/59/87/568905987.db2.gz YZKSRZMMHWTREL-CQSZACIVSA-N 0 0 436.672 5.831 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(OCc2ccccc2)cc1 ZINC000001771452 568906126 /nfs/dbraw/zinc/90/61/26/568906126.db2.gz OEJXQPRXABHSPG-UHFFFAOYSA-N 0 0 434.948 6.219 50 0 IKAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)c(Cl)ccc32)cc1 ZINC000001770429 568906178 /nfs/dbraw/zinc/90/61/78/568906178.db2.gz GIBBXWFPWOQGCB-UHFFFAOYSA-N 0 0 426.900 5.684 50 0 IKAARN CCCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770966 568906191 /nfs/dbraw/zinc/90/61/91/568906191.db2.gz FRFUFQXPFFNMLD-UHFFFAOYSA-N 0 0 426.774 6.058 50 0 IKAARN Cc1ccccc1C(=O)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775140 568906271 /nfs/dbraw/zinc/90/62/71/568906271.db2.gz UBUCAPKYQCAXOK-UHFFFAOYSA-N 0 0 434.875 6.383 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)c1ccc(Cl)cc1 ZINC000001775128 568906290 /nfs/dbraw/zinc/90/62/90/568906290.db2.gz AVHAEUOEMUVGMX-UHFFFAOYSA-N 0 0 427.239 6.111 50 0 IKAARN Cc1cc(Oc2coc3cc(OC(=O)C4CCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000001775123 568906321 /nfs/dbraw/zinc/90/63/21/568906321.db2.gz XVNPUYCXQUNLJO-UHFFFAOYSA-N 0 0 426.896 6.341 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc(C(C)(C)C)cc2)c3=O)cc1 ZINC000001772193 568906370 /nfs/dbraw/zinc/90/63/70/568906370.db2.gz RLUVTWRGHPVOHH-UHFFFAOYSA-N 0 0 428.484 6.410 50 0 IKAARN Cc1cccc(OCCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001773925 568906382 /nfs/dbraw/zinc/90/63/82/568906382.db2.gz ZOHSSBMNNWBRLE-UHFFFAOYSA-N 0 0 446.978 6.665 50 0 IKAARN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000001772196 568906398 /nfs/dbraw/zinc/90/63/98/568906398.db2.gz SQWFMNSQUJJQKO-UHFFFAOYSA-N 0 0 448.902 6.755 50 0 IKAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000001777785 568906651 /nfs/dbraw/zinc/90/66/51/568906651.db2.gz MELKPBHKBGOZBS-UHFFFAOYSA-N 0 0 432.520 5.953 50 0 IKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000001777816 568906697 /nfs/dbraw/zinc/90/66/97/568906697.db2.gz RAWVCEHDXODTDS-UHFFFAOYSA-N 0 0 432.520 5.953 50 0 IKAARN Cc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c1C ZINC000001778187 568906709 /nfs/dbraw/zinc/90/67/09/568906709.db2.gz ZMHYJFNVHZZDJZ-UHFFFAOYSA-N 0 0 441.508 6.214 50 0 biogenic IKAARN C[C@H](Sc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)OCc1ccccc1Cl ZINC000001778550 568906745 /nfs/dbraw/zinc/90/67/45/568906745.db2.gz QIYPBDGZBPLTQB-OLZOCXBDSA-N 0 0 432.998 5.694 50 0 IKAARN COc1ccccc1-c1coc2cc(OCc3ccc(Cl)cc3Cl)ccc2c1=O ZINC000001782008 568907143 /nfs/dbraw/zinc/90/71/43/568907143.db2.gz YOWXWJYTWXECJO-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 biogenic IKAARN CC(C)Oc1ccc(-c2csc3ncn([C@@H](C)C(=O)OC4CCCCC4)c(=O)c23)cc1 ZINC000001784776 568907397 /nfs/dbraw/zinc/90/73/97/568907397.db2.gz DRPMSLWTFJWGBS-INIZCTEOSA-N 0 0 440.565 5.349 50 0 IKAARN c1ccc2[nH]c(SCCCCCCCCCCSc3nc4ccccc4[nH]3)nc2c1 ZINC000006446915 568907490 /nfs/dbraw/zinc/90/74/90/568907490.db2.gz YIPKMKHLLCZOKW-UHFFFAOYSA-N 0 0 438.666 7.444 50 0 IKAARN O=C(Oc1ccc2sc(=O)oc2c1-c1ccccc1)c1sc2ccccc2c1Cl ZINC000001787745 568907589 /nfs/dbraw/zinc/90/75/89/568907589.db2.gz MBOQMGZCNNRGFD-UHFFFAOYSA-N 0 0 438.913 6.609 50 0 IKAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000001787020 568907614 /nfs/dbraw/zinc/90/76/14/568907614.db2.gz BPVNZUGEYRLHQH-ZDUSSCGKSA-N 0 0 431.216 5.019 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CC2)c1)Nc1cccc(Cl)c1Cl ZINC000035709840 568907675 /nfs/dbraw/zinc/90/76/75/568907675.db2.gz OOLXSQSVGAAEID-UHFFFAOYSA-N 0 0 433.339 5.130 50 0 IKAARN CCCCCCC(=O)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001787085 568907701 /nfs/dbraw/zinc/90/77/01/568907701.db2.gz RXHXVTAWKDUPAB-AWEZNQCLSA-N 0 0 431.585 5.611 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000001789820 568907874 /nfs/dbraw/zinc/90/78/74/568907874.db2.gz DGMIALXAIIGBLP-NWDGAFQWSA-N 0 0 448.013 5.597 50 0 IKAARN C[C@@H](Oc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC000001791352 568907960 /nfs/dbraw/zinc/90/79/60/568907960.db2.gz ISAOOOUZRQNSPE-MRXNPFEDSA-N 0 0 434.875 5.624 50 0 IKAARN Cc1cccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1C ZINC000001793481 568908184 /nfs/dbraw/zinc/90/81/84/568908184.db2.gz UVPPHAWAJQHQSX-UHFFFAOYSA-N 0 0 432.951 6.193 50 0 IKAARN CCCSc1nc2c(c(=O)n1Cc1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001795875 568908225 /nfs/dbraw/zinc/90/82/25/568908225.db2.gz SFSCZXNECSTMBX-UHFFFAOYSA-N 0 0 444.644 6.527 50 0 biogenic IKAARN CCOC(=O)c1c2cc(OCc3c(Cl)cccc3Cl)ccc2oc1-c1ccccc1 ZINC000001797688 568908257 /nfs/dbraw/zinc/90/82/57/568908257.db2.gz OWMOBXMEKHDSIR-UHFFFAOYSA-N 0 0 441.310 7.162 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OCC)CCc1ccccc1-3 ZINC000001797901 568908295 /nfs/dbraw/zinc/90/82/95/568908295.db2.gz FIRMHLSKJSPIII-UHFFFAOYSA-N 0 0 448.613 6.114 50 0 IKAARN Cc1csc(-c2cc3ccc(OCc4c(F)c(F)c(F)c(F)c4F)cc3oc2=O)n1 ZINC000001799154 568908361 /nfs/dbraw/zinc/90/83/61/568908361.db2.gz BZHUMSSMLGBIHU-UHFFFAOYSA-N 0 0 439.361 5.499 50 0 IKAARN O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2cc1-c1nc2ccccc2s1 ZINC000001797719 568908389 /nfs/dbraw/zinc/90/83/89/568908389.db2.gz QYZIUWZQNATBRZ-UHFFFAOYSA-N 0 0 437.879 6.441 50 0 IKAARN Cc1oc2cc(Br)c(OC(=O)c3ccccc3C)cc2c1C(=O)OC(C)C ZINC000001799021 568908391 /nfs/dbraw/zinc/90/83/91/568908391.db2.gz JOQOAUABBTVLPB-UHFFFAOYSA-N 0 0 431.282 5.597 50 0 IKAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c2c1 ZINC000006456010 568908698 /nfs/dbraw/zinc/90/86/98/568908698.db2.gz PVZAXZCSDPPRCP-UHFFFAOYSA-N 0 0 436.515 5.094 50 0 IKAARN Cc1ccc(SC2=C(N(C)c3ccccc3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000001809098 568909245 /nfs/dbraw/zinc/90/92/45/568909245.db2.gz WUDRMHSOOLIEHG-UHFFFAOYSA-N 0 0 428.557 5.625 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C2CCCCC2)cc1 ZINC000025576577 568909579 /nfs/dbraw/zinc/90/95/79/568909579.db2.gz UHFYHZVFSDUZRR-JTHBVZDNSA-N 0 0 431.363 6.452 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1OC ZINC000025576834 568909585 /nfs/dbraw/zinc/90/95/85/568909585.db2.gz GTXCIKPYPKUARR-CUBQBAPOSA-N 0 0 436.511 6.099 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577138 568909587 /nfs/dbraw/zinc/90/95/87/568909587.db2.gz SSHVRSKIJMVKPD-BDYUSTAISA-N 0 0 440.930 6.744 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1OC ZINC000025576851 568909604 /nfs/dbraw/zinc/90/96/04/568909604.db2.gz GTXCIKPYPKUARR-UFHPHHKVSA-N 0 0 436.511 6.099 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000025576313 568909674 /nfs/dbraw/zinc/90/96/74/568909674.db2.gz NHYYOSCGYDQLFO-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1OC ZINC000025576839 568909704 /nfs/dbraw/zinc/90/97/04/568909704.db2.gz GTXCIKPYPKUARR-RBJSKKJNSA-N 0 0 436.511 6.099 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1ccccc1)O2 ZINC000025577277 568909844 /nfs/dbraw/zinc/90/98/44/568909844.db2.gz BLUZJURWLHNTCL-AOYPEHQESA-N 0 0 445.349 7.389 50 0 IKAARN CCCCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000016487239 568910072 /nfs/dbraw/zinc/91/00/72/568910072.db2.gz OOLXJURBGMGQLJ-QHCPKHFHSA-N 0 0 433.017 5.303 50 0 IKAARN Cc1ccccc1OCCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001815702 568915273 /nfs/dbraw/zinc/91/52/73/568915273.db2.gz SYLIFARQYAHOPB-UHFFFAOYSA-N 0 0 432.951 6.275 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001813470 568915540 /nfs/dbraw/zinc/91/55/40/568915540.db2.gz TYHTZBUBVWZZGZ-UHFFFAOYSA-N 0 0 444.644 6.858 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1cccc2ccccc21 ZINC000001823752 568915608 /nfs/dbraw/zinc/91/56/08/568915608.db2.gz XYGKVMLVMQTMLX-UHFFFAOYSA-N 0 0 440.930 6.339 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 ZINC000001822621 568915638 /nfs/dbraw/zinc/91/56/38/568915638.db2.gz NKZSZPFVABVZCM-XMMPIXPASA-N 0 0 442.650 6.361 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@](C)(CC)OC3 ZINC000001822622 568915732 /nfs/dbraw/zinc/91/57/32/568915732.db2.gz NKZSZPFVABVZCM-DEOSSOPVSA-N 0 0 442.650 6.361 50 0 IKAARN C=Cc1ccc(COc2cc3occ(-c4ccc5c(c4)OCCO5)c(=O)c3cc2CC)cc1 ZINC000001825585 568915767 /nfs/dbraw/zinc/91/57/67/568915767.db2.gz RGEFRPIYTNMSAZ-UHFFFAOYSA-N 0 0 440.495 6.016 50 0 biogenic IKAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3 ZINC000001828582 568915813 /nfs/dbraw/zinc/91/58/13/568915813.db2.gz QWHANZFSSXURQT-UHFFFAOYSA-N 0 0 438.622 5.119 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001821163 568915816 /nfs/dbraw/zinc/91/58/16/568915816.db2.gz GSWBLHROBHCPPB-MHZLTWQESA-N 0 0 432.633 6.465 50 0 IKAARN COc1ccccc1OCCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001828048 568915822 /nfs/dbraw/zinc/91/58/22/568915822.db2.gz JNSXUBODVGXQFV-UHFFFAOYSA-N 0 0 448.950 5.975 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 ZINC000001828761 568915846 /nfs/dbraw/zinc/91/58/46/568915846.db2.gz NSUAISKJGHSCEF-MUUNZHRXSA-N 0 0 431.576 6.053 50 0 biogenic IKAARN Cc1cccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)c1 ZINC000001826642 568915866 /nfs/dbraw/zinc/91/58/66/568915866.db2.gz ABEJQYXLEFPUBW-IBGZPJMESA-N 0 0 442.650 5.991 50 0 IKAARN CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000001828402 568915872 /nfs/dbraw/zinc/91/58/72/568915872.db2.gz GBUHOIAMRWKFKJ-RUZDIDTESA-N 0 0 431.576 5.859 50 0 biogenic IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@](C)(CC)OC3 ZINC000001820670 568915886 /nfs/dbraw/zinc/91/58/86/568915886.db2.gz USPKZEWIVHWMFQ-JOCHJYFZSA-N 0 0 430.595 5.199 50 0 IKAARN CCOc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001832737 568915982 /nfs/dbraw/zinc/91/59/82/568915982.db2.gz HYJZPGUAMAAWTO-UHFFFAOYSA-N 0 0 434.923 5.585 50 0 IKAARN Cc1ccc(NC2=C[C@H](c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001834989 568916128 /nfs/dbraw/zinc/91/61/28/568916128.db2.gz JWNYJCDELWBNQD-HSZRJFAPSA-N 0 0 433.349 6.150 50 0 IKAARN CCOc1ccccc1-n1c(SCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000001834338 568916170 /nfs/dbraw/zinc/91/61/70/568916170.db2.gz DLKXPAAWVPWZRY-UHFFFAOYSA-N 0 0 434.586 5.724 50 0 IKAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000001835884 568916259 /nfs/dbraw/zinc/91/62/59/568916259.db2.gz GQXJLBJWMSZAJM-FBHDLOMBSA-N 0 0 425.818 5.542 50 0 IKAARN CCCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001839451 568916336 /nfs/dbraw/zinc/91/63/36/568916336.db2.gz KNPFGFHJBVFRNV-MHZLTWQESA-N 0 0 432.633 6.796 50 0 IKAARN CC(C)CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001837697 568916359 /nfs/dbraw/zinc/91/63/59/568916359.db2.gz DBKPSVSOVFAEGV-UHFFFAOYSA-N 0 0 448.632 6.448 50 0 biogenic IKAARN CCCOc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1 ZINC000001837823 568916430 /nfs/dbraw/zinc/91/64/30/568916430.db2.gz SLINYFSERLAWCZ-UHFFFAOYSA-N 0 0 439.492 7.387 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cc1Cl ZINC000001840769 568916541 /nfs/dbraw/zinc/91/65/41/568916541.db2.gz PVWUASOWEAPIAW-UHFFFAOYSA-N 0 0 445.733 6.103 50 0 IKAARN O=C(Oc1ccc(OC(=O)c2ccc(F)cc2)c(C2CCCCC2)c1)c1ccc(F)cc1 ZINC000001840615 568916586 /nfs/dbraw/zinc/91/65/86/568916586.db2.gz MNYXLWIIIIQNNU-UHFFFAOYSA-N 0 0 436.454 6.451 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)c(C3CCCCC3)c2)cc1 ZINC000001852023 568916690 /nfs/dbraw/zinc/91/66/90/568916690.db2.gz BIKTTYBRKYDTKF-UHFFFAOYSA-N 0 0 428.528 6.790 50 0 IKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 ZINC000026791718 568916795 /nfs/dbraw/zinc/91/67/95/568916795.db2.gz CTJADRNTUQWXKM-UHFFFAOYSA-N 0 0 447.966 5.267 50 0 IKAARN O=P(Nc1cccc2cccnc21)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000001858802 568916900 /nfs/dbraw/zinc/91/69/00/568916900.db2.gz VUBXROVJXUWXTH-UHFFFAOYSA-N 0 0 445.242 7.220 50 0 IKAARN CC(C)(C)c1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001867890 568917126 /nfs/dbraw/zinc/91/71/26/568917126.db2.gz LVRHPPQKNUDMGT-UHFFFAOYSA-N 0 0 446.978 6.484 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)cc(NCc2ccccc2)c2cc(OC)c(OC)cc21 ZINC000001872494 568917208 /nfs/dbraw/zinc/91/72/08/568917208.db2.gz HGJBYLFOFNYUFH-UHFFFAOYSA-N 0 0 441.527 6.313 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COc2ccccc2C(=O)NCc2ccccc2)c1Cl ZINC000026811641 568917275 /nfs/dbraw/zinc/91/72/75/568917275.db2.gz JWXQDZZWANTPSI-UHFFFAOYSA-N 0 0 443.330 5.249 50 0 IKAARN Clc1nc2ccc(Br)cc2c(Nc2ccc(Br)cc2)c1Cl ZINC000001877755 568917285 /nfs/dbraw/zinc/91/72/85/568917285.db2.gz WWEQUVZDMYPWTQ-UHFFFAOYSA-N 0 0 446.957 6.810 50 0 IKAARN O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000001878377 568917328 /nfs/dbraw/zinc/91/73/28/568917328.db2.gz BTCLOTDTXNLFPB-UHFFFAOYSA-N 0 0 431.706 6.631 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)n2)c2ccccc2)c1C ZINC000001890792 568917566 /nfs/dbraw/zinc/91/75/66/568917566.db2.gz VJQQROZUWQCSCJ-XMMPIXPASA-N 0 0 427.573 6.522 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2ccccc2)c1C ZINC000001890796 568917577 /nfs/dbraw/zinc/91/75/77/568917577.db2.gz PRYZQWNJXGNBNK-DEOSSOPVSA-N 0 0 427.573 6.522 50 0 IKAARN Cc1ccc(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1C ZINC000001895961 568917862 /nfs/dbraw/zinc/91/78/62/568917862.db2.gz MBROACARRSSMNC-UHFFFAOYSA-N 0 0 446.978 6.583 50 0 IKAARN CCc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000035744803 568917918 /nfs/dbraw/zinc/91/79/18/568917918.db2.gz ALDQDWHIXBDUTE-UHFFFAOYSA-N 0 0 442.563 5.164 50 0 IKAARN CCc1ccc(N(C(C)=O)c2nc(CN[C@H](c3cccs3)c3ccccc3)cs2)cc1 ZINC000089284885 568918137 /nfs/dbraw/zinc/91/81/37/568918137.db2.gz GPHUIZGUTRFXED-DEOSSOPVSA-N 0 0 447.629 6.331 50 0 IKAARN O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@@H](c2ccccc2)C1 ZINC000016492426 568918251 /nfs/dbraw/zinc/91/82/51/568918251.db2.gz KSKWHTQHWZDQNU-HXUWFJFHSA-N 0 0 444.332 5.396 50 0 IKAARN CCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 ZINC000035745014 568918263 /nfs/dbraw/zinc/91/82/63/568918263.db2.gz MOFMBFLABQUEFK-UHFFFAOYSA-N 0 0 437.588 5.086 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000001903188 568918567 /nfs/dbraw/zinc/91/85/67/568918567.db2.gz ALBRMRSWNPMINF-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4cccc(C(F)(F)F)c4)ccc32)cc1 ZINC000001902806 568918626 /nfs/dbraw/zinc/91/86/26/568918626.db2.gz XAYRNDWSIHDHGE-UHFFFAOYSA-N 0 0 426.390 6.066 50 0 biogenic IKAARN CC(C)Oc1ccccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001902202 568918631 /nfs/dbraw/zinc/91/86/31/568918631.db2.gz ZGYJXVLFMRHBPR-UHFFFAOYSA-N 0 0 434.923 5.583 50 0 IKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cccc(C(F)(F)F)c1)CCC3 ZINC000001902790 568918663 /nfs/dbraw/zinc/91/86/63/568918663.db2.gz TXVLLTWLRJAREV-UHFFFAOYSA-N 0 0 444.493 7.002 50 0 IKAARN CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000001903533 568919300 /nfs/dbraw/zinc/91/93/00/568919300.db2.gz HCCNFPHERPCTCW-MHZLTWQESA-N 0 0 435.995 6.698 50 0 biogenic IKAARN O=C(Nc1cccc2ccccc21)c1nc2ccccc2c(Nc2cccc3ccccc32)n1 ZINC000001903659 568919345 /nfs/dbraw/zinc/91/93/45/568919345.db2.gz DUGOPNSRZYKKGN-UHFFFAOYSA-N 0 0 440.506 6.932 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(C)cc3)ccc2oc1-c1ccc(OC)cc1 ZINC000001904790 568919455 /nfs/dbraw/zinc/91/94/55/568919455.db2.gz LXLVCFRTWWZATB-UHFFFAOYSA-N 0 0 430.456 5.813 50 0 IKAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000001906355 568919498 /nfs/dbraw/zinc/91/94/98/568919498.db2.gz PAIULYPPYHXXRX-UHFFFAOYSA-N 0 0 430.353 5.592 50 0 IKAARN CCC(CC)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000001904836 568919515 /nfs/dbraw/zinc/91/95/15/568919515.db2.gz CXGZIAXPXKSFIC-UHFFFAOYSA-N 0 0 434.410 6.254 50 0 IKAARN Cc1ccc(Cl)cc1NC1=C(Sc2ccccc2)C(=O)N(Cc2ccccc2)C1=O ZINC000001907278 568919517 /nfs/dbraw/zinc/91/95/17/568919517.db2.gz KVNDTIPYAXQSAA-UHFFFAOYSA-N 0 0 434.948 5.633 50 0 IKAARN O[C@@H](CN(c1ccccc1)c1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000001907576 568919690 /nfs/dbraw/zinc/91/96/90/568919690.db2.gz ZIUGZEJPSYQJQK-MUUNZHRXSA-N 0 0 445.566 6.416 50 0 IKAARN CN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1c(F)cccc1F ZINC000089364947 568921235 /nfs/dbraw/zinc/92/12/35/568921235.db2.gz NPJUWHSHHQMITE-UHFFFAOYSA-N 0 0 446.295 5.068 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)cc1 ZINC000001911828 568922327 /nfs/dbraw/zinc/92/23/27/568922327.db2.gz DWRJLKQECBYZAI-UHFFFAOYSA-N 0 0 429.925 5.571 50 0 IKAARN CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000001915326 568922435 /nfs/dbraw/zinc/92/24/35/568922435.db2.gz DGZZWIHXHBJZDO-LFIBNONCSA-N 0 0 449.934 5.677 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cccc(C(C)C)c1 ZINC000001916476 568922446 /nfs/dbraw/zinc/92/24/46/568922446.db2.gz ZMRBWGDQHSVXIL-UHFFFAOYSA-N 0 0 441.524 5.872 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001913247 568922475 /nfs/dbraw/zinc/92/24/75/568922475.db2.gz BLGUKDMRLPCHQA-PKNBQFBNSA-N 0 0 434.363 6.435 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000001916196 568922512 /nfs/dbraw/zinc/92/25/12/568922512.db2.gz XZOLSZHCUBCIEB-UHFFFAOYSA-N 0 0 444.575 6.422 50 0 IKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000035793487 568923071 /nfs/dbraw/zinc/92/30/71/568923071.db2.gz VKYOAVXQSCSUST-UHFFFAOYSA-N 0 0 426.520 5.530 50 0 IKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000035793745 568923168 /nfs/dbraw/zinc/92/31/68/568923168.db2.gz VLDMGHCGJWAVIS-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2cccc(F)c2)cc1 ZINC000035793711 568923190 /nfs/dbraw/zinc/92/31/90/568923190.db2.gz OMXGJSSAPQVEIP-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN CCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc31)O[C@H](C)C2 ZINC000026885828 568923486 /nfs/dbraw/zinc/92/34/86/568923486.db2.gz QXLITHSKEXZUHF-MRXNPFEDSA-N 0 0 425.488 5.271 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000001933546 568923509 /nfs/dbraw/zinc/92/35/09/568923509.db2.gz XKNSGTHKFNEOTI-UHFFFAOYSA-N 0 0 444.478 6.150 50 0 IKAARN CCc1cccc(CC)c1NC(=O)Cn1cnc2sc(C)c(-c3ccc(C)cc3)c2c1=O ZINC000001942737 568923677 /nfs/dbraw/zinc/92/36/77/568923677.db2.gz OPFXDTMSKWCHTF-UHFFFAOYSA-N 0 0 445.588 5.505 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1cccc(Cl)c1 ZINC000001944181 568923696 /nfs/dbraw/zinc/92/36/96/568923696.db2.gz ZOTXKRZQZPFWLZ-UHFFFAOYSA-N 0 0 445.924 5.271 50 0 IKAARN Cc1sc2ncn(CC(=O)Nc3ccccc3C(C)C)c(=O)c2c1-c1ccc(C)cc1 ZINC000001942738 568923697 /nfs/dbraw/zinc/92/36/97/568923697.db2.gz ZURJPHXLBIREPP-UHFFFAOYSA-N 0 0 431.561 5.504 50 0 IKAARN COc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)c(Cl)c2)OC1=O ZINC000001949471 568923752 /nfs/dbraw/zinc/92/37/52/568923752.db2.gz MJOPNRAOCXCANL-ZSOIEALJSA-N 0 0 427.081 5.109 50 0 IKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001958472 568923777 /nfs/dbraw/zinc/92/37/77/568923777.db2.gz CBQHDOVXRKDYRL-NRFANRHFSA-N 0 0 445.733 5.831 50 0 IKAARN Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc3c2)cc1 ZINC000001959505 568923919 /nfs/dbraw/zinc/92/39/19/568923919.db2.gz XGEHEALCYLRIPL-UHFFFAOYSA-N 0 0 444.836 7.020 50 0 IKAARN CC1(C)C[C@@H](C(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)CCO1 ZINC000000627658 568924408 /nfs/dbraw/zinc/92/44/08/568924408.db2.gz KVMRVXLLPSCCGA-INIZCTEOSA-N 0 0 426.896 5.267 50 0 biogenic IKAARN CC(=O)Nc1ccc(C(=O)COc2c(=O)c3ccccc3oc2-c2ccccc2Cl)cc1 ZINC000001993943 568924449 /nfs/dbraw/zinc/92/44/49/568924449.db2.gz PSQVIVQWJZFQRN-UHFFFAOYSA-N 0 0 447.874 5.334 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC(C)C)cc1 ZINC000001072556 568924635 /nfs/dbraw/zinc/92/46/35/568924635.db2.gz WYFYOKFRFYBPND-DEOSSOPVSA-N 0 0 435.564 6.036 50 0 biogenic IKAARN COc1ccc(C(=O)COc2cc(C)cc3oc(=O)cc(-c4ccc(OC)cc4)c23)cc1 ZINC000001123288 568924838 /nfs/dbraw/zinc/92/48/38/568924838.db2.gz GIIRJRCNEQMNRD-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 biogenic IKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1Cl ZINC000016602192 568925153 /nfs/dbraw/zinc/92/51/53/568925153.db2.gz VICOMKCGYPCNMB-UHFFFAOYSA-N 0 0 431.323 5.763 50 0 IKAARN Cc1cccc(-c2noc(C3CCN(C(=O)Nc4c(Cl)cccc4Cl)CC3)n2)c1 ZINC000016602088 568925161 /nfs/dbraw/zinc/92/51/61/568925161.db2.gz OJJGFZIRXLEDPC-UHFFFAOYSA-N 0 0 431.323 5.763 50 0 IKAARN CCCCCc1ccc(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 ZINC000002151001 568925258 /nfs/dbraw/zinc/92/52/58/568925258.db2.gz LADOXMIPCRBHHL-UHFFFAOYSA-N 0 0 440.539 6.763 50 0 biogenic IKAARN COc1ccccc1[C@@]1(C)CCc2oc3ccc(Br)cc3c2-c2oc(C)cc21 ZINC000002912577 568925439 /nfs/dbraw/zinc/92/54/39/568925439.db2.gz HIBPBUBEGJPNLM-XMMPIXPASA-N 0 0 437.333 7.025 50 0 biogenic IKAARN CCCCCCC(=O)Nc1cccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCCN32)c1 ZINC000016613731 568925760 /nfs/dbraw/zinc/92/57/60/568925760.db2.gz PPOQAMUQXZIARU-QFIPXVFZSA-N 0 0 443.613 5.282 50 0 IKAARN COc1ccccc1[C@H](CC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccc(OC(C)C)cc1 ZINC000004038649 568926105 /nfs/dbraw/zinc/92/61/05/568926105.db2.gz BWVVFDXHZUGULT-NFBKMPQASA-N 0 0 425.569 5.078 50 0 biogenic IKAARN COc1ccccc1[C@@H](CC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccc(OC(C)C)cc1 ZINC000004038656 568926189 /nfs/dbraw/zinc/92/61/89/568926189.db2.gz BWVVFDXHZUGULT-OFNKIYASSA-N 0 0 425.569 5.078 50 0 biogenic IKAARN COc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(Br)c2)c1 ZINC000089467220 568926264 /nfs/dbraw/zinc/92/62/64/568926264.db2.gz HESHLERGDLIIJS-LJQANCHMSA-N 0 0 425.282 5.042 50 0 IKAARN COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)c1 ZINC000089469811 568926459 /nfs/dbraw/zinc/92/64/59/568926459.db2.gz SWCCEJXYZGJLKG-SFHVURJKSA-N 0 0 425.282 5.042 50 0 IKAARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)c1 ZINC000089469817 568926504 /nfs/dbraw/zinc/92/65/04/568926504.db2.gz ASXHNJORRXBMER-OAHLLOKOSA-N 0 0 431.311 5.104 50 0 IKAARN COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)c1 ZINC000089469813 568926574 /nfs/dbraw/zinc/92/65/74/568926574.db2.gz SWCCEJXYZGJLKG-GOSISDBHSA-N 0 0 425.282 5.042 50 0 IKAARN Cc1cc(-c2ccc(NC(=O)CC3CCCC3)c(C)c2)ccc1NC(=O)CC1CCCC1 ZINC000006500955 568927918 /nfs/dbraw/zinc/92/79/18/568927918.db2.gz HBHGTVSZCFZPEN-UHFFFAOYSA-N 0 0 432.608 7.008 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000035836020 568928162 /nfs/dbraw/zinc/92/81/62/568928162.db2.gz NNZAYLWOFXDOEO-QFIPXVFZSA-N 0 0 429.520 5.231 50 0 IKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(Br)c(C)c5)n3n2)CCC4)cc1 ZINC000064449992 568929028 /nfs/dbraw/zinc/92/90/28/568929028.db2.gz RZTQNMGIWBYMFG-UHFFFAOYSA-N 0 0 448.368 5.327 50 0 IKAARN Cc1cccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000064450126 568929064 /nfs/dbraw/zinc/92/90/64/568929064.db2.gz PKQRHLLLLOTZDR-UHFFFAOYSA-N 0 0 433.943 5.194 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1 ZINC000064452314 568929200 /nfs/dbraw/zinc/92/92/00/568929200.db2.gz NCHQBRKQUSFQRM-MRXNPFEDSA-N 0 0 440.906 5.225 50 0 IKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(Br)cc1 ZINC000064459692 568929363 /nfs/dbraw/zinc/92/93/63/568929363.db2.gz VMCHZWNELAKHCF-GFCCVEGCSA-N 0 0 445.386 5.251 50 0 IKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccccc1Br ZINC000064459722 568929457 /nfs/dbraw/zinc/92/94/57/568929457.db2.gz OEQRQSOLBNAEJC-LBPRGKRZSA-N 0 0 445.386 5.251 50 0 IKAARN CC(C)CN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)CC(C)(C)C ZINC000016653492 568929672 /nfs/dbraw/zinc/92/96/72/568929672.db2.gz XFZJVZDKVCCZJV-UHFFFAOYSA-N 0 0 435.561 5.014 50 0 IKAARN COc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1Cl ZINC000064471974 568930054 /nfs/dbraw/zinc/93/00/54/568930054.db2.gz KWUBTGZTHBCGKC-UHFFFAOYSA-N 0 0 429.879 5.024 50 0 IKAARN Cc1ccc(-c2csc(C(=O)Nc3cccc(Br)c3)c2-n2cccc2)cc1 ZINC000064472574 568930063 /nfs/dbraw/zinc/93/00/63/568930063.db2.gz RFXGTMIASDBQJO-UHFFFAOYSA-N 0 0 437.362 6.529 50 0 IKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(F)c(Cl)c3)c2cc1OC ZINC000064474070 568930210 /nfs/dbraw/zinc/93/02/10/568930210.db2.gz DEEXMIBIJSYXTM-UHFFFAOYSA-N 0 0 443.906 5.414 50 0 IKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000064474086 568930266 /nfs/dbraw/zinc/93/02/66/568930266.db2.gz UTOJOELXKRURGR-UHFFFAOYSA-N 0 0 439.943 5.521 50 0 IKAARN COc1cc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)cc(OC)c1 ZINC000064473041 568930398 /nfs/dbraw/zinc/93/03/98/568930398.db2.gz IMAFSGWJRISVHO-UHFFFAOYSA-N 0 0 427.913 5.225 50 0 IKAARN CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(cc(N3CCc4ccccc43)c3ccccc31)O2 ZINC000002023439 568930758 /nfs/dbraw/zinc/93/07/58/568930758.db2.gz PITZBBWQUBGWTD-SSEXGKCCSA-N 0 0 445.566 6.753 50 0 IKAARN CCc1ccc(-c2ccc(C(=O)Oc3ccc4cc(Br)ccc4c3)cc2)nc1 ZINC000002024147 568930913 /nfs/dbraw/zinc/93/09/13/568930913.db2.gz LPRCHAZCGNGFHX-UHFFFAOYSA-N 0 0 432.317 6.446 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccc(Cl)cc3)CO2)cc1 ZINC000054278153 568931015 /nfs/dbraw/zinc/93/10/15/568931015.db2.gz JENFLKJYLQOZMK-UHFFFAOYSA-N 0 0 433.891 5.474 50 0 biogenic IKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N(CCO)Cc1ccccc1Br ZINC000064520115 568931245 /nfs/dbraw/zinc/93/12/45/568931245.db2.gz AHNOKGKKVRMRJA-UHFFFAOYSA-N 0 0 437.337 5.047 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000035910313 568931486 /nfs/dbraw/zinc/93/14/86/568931486.db2.gz ZFIDCOAXCANWPJ-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN CC(C)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000064557989 568931868 /nfs/dbraw/zinc/93/18/68/568931868.db2.gz VIYYKBUYTBTPQJ-QHCPKHFHSA-N 0 0 447.556 5.137 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000035944374 568932354 /nfs/dbraw/zinc/93/23/54/568932354.db2.gz SSHPLXKCKXHPMW-UHFFFAOYSA-N 0 0 438.616 5.248 50 0 IKAARN COc1ccc(Oc2cc(-c3ccc(C(=O)N(C)Cc4ccccc4)cc3)ncn2)cc1 ZINC000064568534 568933717 /nfs/dbraw/zinc/93/37/17/568933717.db2.gz OTJBCHCUPGLNMB-UHFFFAOYSA-N 0 0 425.488 5.217 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)ncn1 ZINC000064568568 568933725 /nfs/dbraw/zinc/93/37/25/568933725.db2.gz AHCOULCDIDWOHO-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ncn2)c1 ZINC000064568598 568933841 /nfs/dbraw/zinc/93/38/41/568933841.db2.gz UDAKTHRJCCJIBS-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)ncn2)cc1 ZINC000064578579 568933866 /nfs/dbraw/zinc/93/38/66/568933866.db2.gz ZKZHNEFOYNQKQO-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN COc1cccc(Oc2cc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)ncn2)c1 ZINC000064578485 568933924 /nfs/dbraw/zinc/93/39/24/568933924.db2.gz KIYQQWWEOIOXNN-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccccc1CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1 ZINC000006582584 568933961 /nfs/dbraw/zinc/93/39/61/568933961.db2.gz MCHXCYXVUZFQNC-KRWDZBQOSA-N 0 0 426.561 5.254 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)ncn2)c1 ZINC000064568595 568933970 /nfs/dbraw/zinc/93/39/70/568933970.db2.gz PUCMBMBIKPVWBF-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCc4ccccc4C)c3)ncn2)cc1 ZINC000064578590 568934062 /nfs/dbraw/zinc/93/40/62/568934062.db2.gz ARERDXNDSZPZLV-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000064578667 568934075 /nfs/dbraw/zinc/93/40/75/568934075.db2.gz MSOABCSUMZYUCR-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1OC ZINC000064578732 568934127 /nfs/dbraw/zinc/93/41/27/568934127.db2.gz RVWHBCNZNGNDDI-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)ncn2)cc1 ZINC000064578398 568934195 /nfs/dbraw/zinc/93/41/95/568934195.db2.gz JHBDZDZNHKGIJG-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4ccccc4C)c3)ncn2)cc1 ZINC000064578399 568934226 /nfs/dbraw/zinc/93/42/26/568934226.db2.gz FHWMLGHWUVCLDT-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1Br ZINC000002027287 568934650 /nfs/dbraw/zinc/93/46/50/568934650.db2.gz SDKSPQFRVHPXCB-UHFFFAOYSA-N 0 0 437.381 6.100 50 0 IKAARN CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4c(C)cc(=O)oc4c3)cc2)nc1 ZINC000002028696 568934667 /nfs/dbraw/zinc/93/46/67/568934667.db2.gz AWBXZTVZIAEGII-UHFFFAOYSA-N 0 0 427.500 6.115 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c(C)c1 ZINC000064581044 568934700 /nfs/dbraw/zinc/93/47/00/568934700.db2.gz PLLGAFQHKYVYPH-UHFFFAOYSA-N 0 0 427.346 5.042 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2C2CCCCC2)cc1 ZINC000006597790 568935476 /nfs/dbraw/zinc/93/54/76/568935476.db2.gz DBZOEDVQXUNRAT-UHFFFAOYSA-N 0 0 426.630 5.462 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000035978681 568936439 /nfs/dbraw/zinc/93/64/39/568936439.db2.gz UIJRWFHPCNJLJK-UHFFFAOYSA-N 0 0 438.547 5.596 50 0 IKAARN COc1ccc(-c2csc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2C(C)(C)C)cc1 ZINC000013108902 568936768 /nfs/dbraw/zinc/93/67/68/568936768.db2.gz IYYTWKGSJSXBJZ-UHFFFAOYSA-N 0 0 448.592 5.010 50 0 IKAARN CCCCOc1ccc(NC(=S)N2CCn3c4c(c(=O)c5cc(C)ccc53)CC[C@H]42)cc1 ZINC000002031177 568937032 /nfs/dbraw/zinc/93/70/32/568937032.db2.gz BPBTYYQMIRVLNK-HSZRJFAPSA-N 0 0 447.604 5.189 50 0 biogenic IKAARN COc1ccccc1-c1cc(-c2ccccc2)nc2sc(C(=O)c3ccccc3)c(N)c21 ZINC000002031371 568937204 /nfs/dbraw/zinc/93/72/04/568937204.db2.gz XNDIUCNQLHAPMI-UHFFFAOYSA-N 0 0 436.536 6.452 50 0 IKAARN Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(=O)Nc1c(C)cc(C)cc1C ZINC000089568791 568937766 /nfs/dbraw/zinc/93/77/66/568937766.db2.gz STBQSJLQDUQJNF-UHFFFAOYSA-N 0 0 445.441 5.125 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1Cc1ccco1 ZINC000089577958 568938192 /nfs/dbraw/zinc/93/81/92/568938192.db2.gz CZANJAWASSBAGH-UHFFFAOYSA-N 0 0 438.578 5.185 50 0 IKAARN COc1ccccc1-c1c(C)oc2c(ccc3c2CN(CCCc2ccccc2)CO3)c1=O ZINC000054313349 568938764 /nfs/dbraw/zinc/93/87/64/568938764.db2.gz VDJDHGKSALUPKX-UHFFFAOYSA-N 0 0 441.527 5.562 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](NC1CCCCC1)C(Cl)(Cl)Cl ZINC000027024444 568939253 /nfs/dbraw/zinc/93/92/53/568939253.db2.gz KBOJCECEPHHEFJ-MPKXVKKWSA-N 0 0 436.638 5.312 50 0 IKAARN COc1ccc(C(=O)Oc2ccccc2-c2nc3scc(-c4ccccc4)n3n2)cc1 ZINC000027025500 568939441 /nfs/dbraw/zinc/93/94/41/568939441.db2.gz KHMTXXDUJIYWJY-UHFFFAOYSA-N 0 0 427.485 5.353 50 0 IKAARN CCCCCCn1c2ccccc2nc1SCC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000006604844 568939444 /nfs/dbraw/zinc/93/94/44/568939444.db2.gz HGEVKGGSFISIPM-UHFFFAOYSA-N 0 0 427.570 5.323 50 0 IKAARN C(=C/c1nn2c(nnc2-c2cccnc2)s1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027025635 568939457 /nfs/dbraw/zinc/93/94/57/568939457.db2.gz UTOXGZQMRCGZFM-BUHFOSPRSA-N 0 0 447.527 5.271 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)c(OC)c1 ZINC000064605797 568939628 /nfs/dbraw/zinc/93/96/28/568939628.db2.gz CELUNAUQECWNPB-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)c(OC)c1 ZINC000064605987 568939788 /nfs/dbraw/zinc/93/97/88/568939788.db2.gz WVXPNRXBHHFZMW-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1Cl ZINC000064606055 568939846 /nfs/dbraw/zinc/93/98/46/568939846.db2.gz ZSRZPVROQKNYTE-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1OC ZINC000064605973 568939900 /nfs/dbraw/zinc/93/99/00/568939900.db2.gz DAZZNOJTTRADAV-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(Oc2c(CN(CC3CC3)C(=O)NC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000035980875 568940250 /nfs/dbraw/zinc/94/02/50/568940250.db2.gz LAMLTRVJSHXOFW-UHFFFAOYSA-N 0 0 448.567 5.218 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000002059342 568940899 /nfs/dbraw/zinc/94/08/99/568940899.db2.gz JBVZSLJINXONPT-FYJGNVAPSA-N 0 0 433.891 5.581 50 0 IKAARN C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000002061693 568941320 /nfs/dbraw/zinc/94/13/20/568941320.db2.gz OUBQGDMIPVYDSO-LURJTMIESA-N 0 0 448.055 6.120 50 0 IKAARN COc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000002060332 568941328 /nfs/dbraw/zinc/94/13/28/568941328.db2.gz RMLTWKUCIQYFLK-CJLVFECKSA-N 0 0 434.561 5.464 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000002061024 568941385 /nfs/dbraw/zinc/94/13/85/568941385.db2.gz WSJJTFNXXGFMFU-HYARGMPZSA-N 0 0 431.463 5.456 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064656736 568942182 /nfs/dbraw/zinc/94/21/82/568942182.db2.gz OAULGZHNEWHWMR-LJQANCHMSA-N 0 0 441.574 5.152 50 0 IKAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)CN(Cc3ccccc3)C4)o2)cc1 ZINC000064658741 568942232 /nfs/dbraw/zinc/94/22/32/568942232.db2.gz FPHQEVDOBOFMKY-UHFFFAOYSA-N 0 0 438.527 5.935 50 0 IKAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)cc2Cl)c1 ZINC000064657084 568942349 /nfs/dbraw/zinc/94/23/49/568942349.db2.gz NKMHULPRSDXJAM-HNNXBMFYSA-N 0 0 435.929 5.156 50 0 IKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1 ZINC000064656855 568942382 /nfs/dbraw/zinc/94/23/82/568942382.db2.gz RMAGUGKJSGYQCT-KRWDZBQOSA-N 0 0 447.965 5.107 50 0 IKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(Cl)ccc2C)CC3)cc1 ZINC000064659895 568942496 /nfs/dbraw/zinc/94/24/96/568942496.db2.gz QADPBQUSKFSWEN-UHFFFAOYSA-N 0 0 427.957 5.761 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@H]2CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000064665031 568942682 /nfs/dbraw/zinc/94/26/82/568942682.db2.gz BDIXDSIZWLURBG-JOCHJYFZSA-N 0 0 438.930 5.262 50 0 IKAARN COc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C3CC3)no2)cc1 ZINC000064666808 568942942 /nfs/dbraw/zinc/94/29/42/568942942.db2.gz ZRRPJROFUXXDLC-UHFFFAOYSA-N 0 0 441.512 5.686 50 0 IKAARN CCN1c2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2Sc2ccccc2C1=O ZINC000064666789 568942963 /nfs/dbraw/zinc/94/29/63/568942963.db2.gz QGWXBLWRVPYQLT-UHFFFAOYSA-N 0 0 429.501 5.544 50 0 IKAARN CCCCN(C)S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000064668174 568943161 /nfs/dbraw/zinc/94/31/61/568943161.db2.gz XFFLRWYODCLFJO-UHFFFAOYSA-N 0 0 438.018 5.198 50 0 IKAARN Cc1c(S(=O)(=O)Nc2ccc(F)cc2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668135 568943180 /nfs/dbraw/zinc/94/31/80/568943180.db2.gz UZLQWFNPYIALFG-UHFFFAOYSA-N 0 0 445.516 5.203 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1F ZINC000064669433 568943243 /nfs/dbraw/zinc/94/32/43/568943243.db2.gz UQRYTVHMQZXXFL-UHFFFAOYSA-N 0 0 447.485 6.764 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c(C)c1 ZINC000064669406 568943299 /nfs/dbraw/zinc/94/32/99/568943299.db2.gz GYOQXOATKFOYNW-UHFFFAOYSA-N 0 0 443.522 6.933 50 0 IKAARN O=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669387 568943333 /nfs/dbraw/zinc/94/33/33/568943333.db2.gz YJVZYDNNGQCFEQ-UHFFFAOYSA-N 0 0 433.458 6.456 50 0 IKAARN CCc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1 ZINC000064669431 568943350 /nfs/dbraw/zinc/94/33/50/568943350.db2.gz SVJJUFRPEAHVOW-UHFFFAOYSA-N 0 0 443.522 6.879 50 0 IKAARN COCCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669551 568943392 /nfs/dbraw/zinc/94/33/92/568943392.db2.gz WGBPRFPKQFJMBC-UHFFFAOYSA-N 0 0 425.504 5.221 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669512 568943414 /nfs/dbraw/zinc/94/34/14/568943414.db2.gz YKVTUDPNNWZHRL-UHFFFAOYSA-N 0 0 449.570 6.907 50 0 IKAARN O=C(NCc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669468 568943488 /nfs/dbraw/zinc/94/34/88/568943488.db2.gz VWEDNOOIBOKRFU-UHFFFAOYSA-N 0 0 447.485 6.133 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669542 568943519 /nfs/dbraw/zinc/94/35/19/568943519.db2.gz TZLBJQIPIRBVKJ-HXUWFJFHSA-N 0 0 437.515 5.363 50 0 IKAARN Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)cs2)c1N ZINC000064664453 568943639 /nfs/dbraw/zinc/94/36/39/568943639.db2.gz GXYNBNFZPDAUNL-UHFFFAOYSA-N 0 0 446.761 5.364 50 0 IKAARN Cc1ccc(CNC(=O)c2cc3occc3c(Nc3ccc(Br)c(C)c3)n2)o1 ZINC000064664050 568943709 /nfs/dbraw/zinc/94/37/09/568943709.db2.gz MMKYMCNLPZIQHW-UHFFFAOYSA-N 0 0 440.297 5.474 50 0 IKAARN Cc1cccc(CNC(=O)CCc2c(-c3ccc(Br)cc3)nc3ccccn32)c1 ZINC000064675777 568943762 /nfs/dbraw/zinc/94/37/62/568943762.db2.gz XLGWTIRJGJSAPA-UHFFFAOYSA-N 0 0 448.364 5.321 50 0 IKAARN C[C@H](NC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn21)c1ccccc1 ZINC000064675770 568943765 /nfs/dbraw/zinc/94/37/65/568943765.db2.gz XYZIFVVKVPRYGL-KRWDZBQOSA-N 0 0 448.364 5.574 50 0 IKAARN Cc1ccccc1CNC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn21 ZINC000064675787 568943794 /nfs/dbraw/zinc/94/37/94/568943794.db2.gz AYLMWEKQURZXNJ-UHFFFAOYSA-N 0 0 448.364 5.321 50 0 IKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000064675645 568943799 /nfs/dbraw/zinc/94/37/99/568943799.db2.gz XNAXKQYJPKYKAS-UHFFFAOYSA-N 0 0 448.364 5.952 50 0 IKAARN Cc1ccc(C)c(NC(=O)CCc2c(-c3ccc(Br)cc3)nc3ccccn32)c1 ZINC000064675765 568943830 /nfs/dbraw/zinc/94/38/30/568943830.db2.gz LMGAZXOSNPEEGM-UHFFFAOYSA-N 0 0 448.364 5.952 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000064675719 568943855 /nfs/dbraw/zinc/94/38/55/568943855.db2.gz XNOLNQVRKYCPEW-LJQANCHMSA-N 0 0 431.967 5.725 50 0 IKAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)Nc1ccccc1F ZINC000064676310 568943908 /nfs/dbraw/zinc/94/39/08/568943908.db2.gz KPGNIVFILIUXEA-UHFFFAOYSA-N 0 0 430.302 5.146 50 0 IKAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)Nc1cccc(F)c1 ZINC000064676312 568943920 /nfs/dbraw/zinc/94/39/20/568943920.db2.gz AMSNMCHHFMVPTD-UHFFFAOYSA-N 0 0 430.302 5.146 50 0 IKAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCc3ccc(Cl)cc3)n2)cc1 ZINC000064677196 568944001 /nfs/dbraw/zinc/94/40/01/568944001.db2.gz SBFUZEYOXMWSTD-UHFFFAOYSA-N 0 0 435.980 5.599 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)c1 ZINC000064687817 568944126 /nfs/dbraw/zinc/94/41/26/568944126.db2.gz GTEFHFXHZVLQBY-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN COc1cc(OC)c(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)cc1Cl ZINC000064690563 568944130 /nfs/dbraw/zinc/94/41/30/568944130.db2.gz DNEPLJHRQBPUJE-UHFFFAOYSA-N 0 0 429.904 5.226 50 0 IKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)NCc3ccccc3Cl)cc2)C1=O ZINC000064687756 568944218 /nfs/dbraw/zinc/94/42/18/568944218.db2.gz 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CCNC(=O)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc(C)cc2C)n1 ZINC000036065535 568945246 /nfs/dbraw/zinc/94/52/46/568945246.db2.gz BSWLWZOWYREWSD-UHFFFAOYSA-N 0 0 445.485 5.262 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065559 568945299 /nfs/dbraw/zinc/94/52/99/568945299.db2.gz CGTIRHAJSDGANL-FQEVSTJZSA-N 0 0 437.559 5.407 50 0 IKAARN COc1cccc(CN(Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000036065585 568945305 /nfs/dbraw/zinc/94/53/05/568945305.db2.gz VBAFMKZWDHNJIH-VQTJNVASSA-N 0 0 435.568 5.221 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c1 ZINC000036065560 568945314 /nfs/dbraw/zinc/94/53/14/568945314.db2.gz CGTIRHAJSDGANL-HXUWFJFHSA-N 0 0 437.559 5.407 50 0 IKAARN CC(C)CNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000036073081 568945726 /nfs/dbraw/zinc/94/57/26/568945726.db2.gz QGYAWPGEBSJBFA-UHFFFAOYSA-N 0 0 433.596 5.560 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCCCC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073435 568945901 /nfs/dbraw/zinc/94/59/01/568945901.db2.gz QWCJSYLEDKFOQU-JOCHJYFZSA-N 0 0 431.580 5.681 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccccc3)co2)Cc2ccccc2)cc1 ZINC000036072217 568945956 /nfs/dbraw/zinc/94/59/56/568945956.db2.gz QYROPUXDVFAZKN-UHFFFAOYSA-N 0 0 425.532 5.115 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccc(F)cc2)c1 ZINC000036072396 568946066 /nfs/dbraw/zinc/94/60/66/568946066.db2.gz YHZQDJRDCBVPNR-UHFFFAOYSA-N 0 0 447.510 5.156 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2cccnc2)co1)[C@@H](C)c1ccccc1 ZINC000036073528 568946384 /nfs/dbraw/zinc/94/63/84/568946384.db2.gz AFVHDCUPPNEZFN-NRFANRHFSA-N 0 0 440.547 5.071 50 0 IKAARN CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(Cl)c2Cl)n1 ZINC000036072565 568946415 /nfs/dbraw/zinc/94/64/15/568946415.db2.gz LBDNGMPLKSCMCI-UHFFFAOYSA-N 0 0 436.314 5.073 50 0 IKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3N(C)C2=O)c1 ZINC000036076874 568946434 /nfs/dbraw/zinc/94/64/34/568946434.db2.gz DACVRZQOEKVWBO-UEVFYJIVSA-N 0 0 434.605 5.659 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccccc2N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC000036076938 568946501 /nfs/dbraw/zinc/94/65/01/568946501.db2.gz PFZFIOBKSKHQJJ-OLWULGQJSA-N 0 0 434.605 5.416 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCCCC3)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000036073586 568946524 /nfs/dbraw/zinc/94/65/24/568946524.db2.gz FYXDAPCTFZEHSQ-QFIPXVFZSA-N 0 0 431.580 5.681 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCCCC3)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000036073587 568946617 /nfs/dbraw/zinc/94/66/17/568946617.db2.gz FYXDAPCTFZEHSQ-JOCHJYFZSA-N 0 0 431.580 5.681 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073677 568946626 /nfs/dbraw/zinc/94/66/26/568946626.db2.gz XVEIPCXXQBVLNJ-UHFFFAOYSA-N 0 0 432.351 5.322 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073678 568946629 /nfs/dbraw/zinc/94/66/29/568946629.db2.gz PGPMPVQHSWVMHW-MRXNPFEDSA-N 0 0 446.378 5.712 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000036073567 568946645 /nfs/dbraw/zinc/94/66/45/568946645.db2.gz WXRZIONCTRCYHZ-OAQYLSRUSA-N 0 0 443.547 5.578 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036083147 568947005 /nfs/dbraw/zinc/94/70/05/568947005.db2.gz GMSJYWYHAWFNDI-MRXNPFEDSA-N 0 0 443.469 5.349 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000036083164 568947008 /nfs/dbraw/zinc/94/70/08/568947008.db2.gz QCIQRLCCULMGGQ-UHFFFAOYSA-N 0 0 448.325 5.215 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036083146 568947036 /nfs/dbraw/zinc/94/70/36/568947036.db2.gz GMSJYWYHAWFNDI-INIZCTEOSA-N 0 0 443.469 5.349 50 0 IKAARN CCNC(=O)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)c2ccccc2)n1 ZINC000036083093 568947058 /nfs/dbraw/zinc/94/70/58/568947058.db2.gz TUGXNSKSPHVWPN-HNNXBMFYSA-N 0 0 432.351 5.495 50 0 IKAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036083474 568947208 /nfs/dbraw/zinc/94/72/08/568947208.db2.gz XQLXHUGOCHXAME-JOCHJYFZSA-N 0 0 442.943 5.056 50 0 IKAARN CCOC(=O)C1=C(COc2ccccc2C(C)C)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036083861 568947608 /nfs/dbraw/zinc/94/76/08/568947608.db2.gz LIHYYLCFNKZIPR-XMMPIXPASA-N 0 0 436.552 5.019 50 0 IKAARN CCN1CCN(c2nn3c(nc(-c4ccc(C(C)C)cc4)c3NC3CCCC3)s2)CC1 ZINC000064746058 568949470 /nfs/dbraw/zinc/94/94/70/568949470.db2.gz GXLOKKPMKUYALB-UHFFFAOYSA-N 0 0 438.645 5.078 50 0 IKAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000064747145 568949948 /nfs/dbraw/zinc/94/99/48/568949948.db2.gz YVXPXCWRVZYOPM-SFHVURJKSA-N 0 0 431.414 5.131 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747707 568950069 /nfs/dbraw/zinc/95/00/69/568950069.db2.gz ALARHXDCCBHBAV-INIZCTEOSA-N 0 0 449.255 5.146 50 0 IKAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000064747622 568950092 /nfs/dbraw/zinc/95/00/92/568950092.db2.gz NYOIZKMPJWZLEC-INIZCTEOSA-N 0 0 432.402 5.133 50 0 IKAARN O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747717 568950174 /nfs/dbraw/zinc/95/01/74/568950174.db2.gz DCPDSWZMIJBPJT-INIZCTEOSA-N 0 0 449.255 5.146 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(SC(C)C)sc3c2)cc1Cl ZINC000064747838 568950494 /nfs/dbraw/zinc/95/04/94/568950494.db2.gz QBZCPUWZVRPRSG-UHFFFAOYSA-N 0 0 428.988 5.260 50 0 IKAARN CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000006681168 568950648 /nfs/dbraw/zinc/95/06/48/568950648.db2.gz QXOZXBNHYGEBIF-NRFANRHFSA-N 0 0 434.625 5.228 50 0 IKAARN CC(C)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)c1 ZINC000064754646 568951024 /nfs/dbraw/zinc/95/10/24/568951024.db2.gz JPXYSBGNZWPMOX-OAQYLSRUSA-N 0 0 441.531 5.054 50 0 IKAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)c1ccccc1 ZINC000036094465 568951230 /nfs/dbraw/zinc/95/12/30/568951230.db2.gz WCMFQHMDKDUCBS-INIZCTEOSA-N 0 0 444.984 5.309 50 0 IKAARN COc1c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755745 568951290 /nfs/dbraw/zinc/95/12/90/568951290.db2.gz PZXPMZMNGCIHHR-UHFFFAOYSA-N 0 0 432.451 5.702 50 0 IKAARN COc1c2cc(NC(=O)Cc3ccccc3C)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755736 568951402 /nfs/dbraw/zinc/95/14/02/568951402.db2.gz MPEWGZCKGLVQBN-UHFFFAOYSA-N 0 0 432.451 5.322 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(Cl)s3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755732 568951407 /nfs/dbraw/zinc/95/14/07/568951407.db2.gz GIFNEYUYWOPKGE-UHFFFAOYSA-N 0 0 444.871 5.800 50 0 IKAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000064757974 568952308 /nfs/dbraw/zinc/95/23/08/568952308.db2.gz JNJWCOSZINQLEH-UHFFFAOYSA-N 0 0 444.560 5.763 50 0 IKAARN CSc1ccc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2-c2ccccn2)cc1 ZINC000064757963 568952342 /nfs/dbraw/zinc/95/23/42/568952342.db2.gz QWCBAKSEPPMYJK-UHFFFAOYSA-N 0 0 443.576 5.105 50 0 IKAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C(=O)C3CCCC3)C2)cc1 ZINC000006695191 568952401 /nfs/dbraw/zinc/95/24/01/568952401.db2.gz SIQXLNYXAZFGLN-NRFANRHFSA-N 0 0 426.944 5.061 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(CC)CC ZINC000006695526 568952442 /nfs/dbraw/zinc/95/24/42/568952442.db2.gz IZVQADFZWSKSCQ-UHFFFAOYSA-N 0 0 427.564 5.319 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(Cc1ccco1)C(=O)C(C)(C)C ZINC000006695617 568952490 /nfs/dbraw/zinc/95/24/90/568952490.db2.gz RLWVBRPYOKKZCZ-UHFFFAOYSA-N 0 0 425.573 5.049 50 0 IKAARN CCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000006696177 568952691 /nfs/dbraw/zinc/95/26/91/568952691.db2.gz YBDDLUNTIMFHJU-DEOSSOPVSA-N 0 0 437.628 5.670 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)CC(C)(C)C)c1 ZINC000006696341 568952694 /nfs/dbraw/zinc/95/26/94/568952694.db2.gz VZZRWZGXLUHUIS-UHFFFAOYSA-N 0 0 427.589 5.295 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)C(=O)C(C)(C)C)c1 ZINC000006696426 568952735 /nfs/dbraw/zinc/95/27/35/568952735.db2.gz PDBFKCXDCWUMMT-UHFFFAOYSA-N 0 0 427.564 5.061 50 0 IKAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(C)cc1 ZINC000036105367 568953009 /nfs/dbraw/zinc/95/30/09/568953009.db2.gz MVZZRPSDDQUIKR-UHFFFAOYSA-N 0 0 438.593 5.326 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)C(C)C)c1 ZINC000036105491 568953141 /nfs/dbraw/zinc/95/31/41/568953141.db2.gz DPPBASFXZCSAOF-UHFFFAOYSA-N 0 0 430.957 5.435 50 0 IKAARN COc1ccccc1C(=O)N(Cc1csc(COc2ccc(Cl)cc2)n1)CC(C)C ZINC000036105436 568953149 /nfs/dbraw/zinc/95/31/49/568953149.db2.gz WLULYDDVAUHBNO-UHFFFAOYSA-N 0 0 444.984 5.683 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1F ZINC000036105009 568953190 /nfs/dbraw/zinc/95/31/90/568953190.db2.gz RCMBHGSNPGMISA-GOSISDBHSA-N 0 0 440.584 6.426 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3)n2)CC(C)C)cc1 ZINC000036105201 568953309 /nfs/dbraw/zinc/95/33/09/568953309.db2.gz IHLFAIJJWYANAI-UHFFFAOYSA-N 0 0 438.593 5.646 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C2CC2)cc1 ZINC000036105046 568953358 /nfs/dbraw/zinc/95/33/58/568953358.db2.gz JFLVBRAIMRKSEA-UHFFFAOYSA-N 0 0 436.577 5.659 50 0 IKAARN COCCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccs1 ZINC000036105076 568953402 /nfs/dbraw/zinc/95/34/02/568953402.db2.gz ZCVXQEYYOCBQOG-UHFFFAOYSA-N 0 0 444.622 5.586 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Cc1ccccc1 ZINC000036105540 568953430 /nfs/dbraw/zinc/95/34/30/568953430.db2.gz APNJOBULBIFFHB-KRWDZBQOSA-N 0 0 428.985 5.745 50 0 IKAARN CCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036105617 568953508 /nfs/dbraw/zinc/95/35/08/568953508.db2.gz HSGDGSRJMFXLIO-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccccc3OC)n2)CC(C)C)cc1 ZINC000036105663 568953553 /nfs/dbraw/zinc/95/35/53/568953553.db2.gz RTPDLMMGCLNVAC-UHFFFAOYSA-N 0 0 440.565 5.038 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105776 568953579 /nfs/dbraw/zinc/95/35/79/568953579.db2.gz YRXFOYFOPMBANO-MRXNPFEDSA-N 0 0 444.984 5.825 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc32)cc1 ZINC000036108603 568953718 /nfs/dbraw/zinc/95/37/18/568953718.db2.gz YIZLBRLMQGPHGJ-BBTUJRGHSA-N 0 0 437.609 5.580 50 0 IKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)c1C ZINC000036107173 568953900 /nfs/dbraw/zinc/95/39/00/568953900.db2.gz KNLHSBYPMYSZEM-UHFFFAOYSA-N 0 0 426.557 5.776 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)CC(C)C)c1 ZINC000036107185 568953923 /nfs/dbraw/zinc/95/39/23/568953923.db2.gz YIQRQVBMJPCCFI-UHFFFAOYSA-N 0 0 438.593 5.646 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)CC(C)C)c1 ZINC000036106884 568953940 /nfs/dbraw/zinc/95/39/40/568953940.db2.gz KQRIVUSLMZNMCA-UHFFFAOYSA-N 0 0 438.593 5.646 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106970 568953986 /nfs/dbraw/zinc/95/39/86/568953986.db2.gz JFQQGVQHWQZZSD-SFHVURJKSA-N 0 0 443.012 6.433 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)Cc1ccccc1 ZINC000036106740 568953999 /nfs/dbraw/zinc/95/39/99/568953999.db2.gz NISHRMIHACTWPY-QGZVFWFLSA-N 0 0 428.985 5.745 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1F ZINC000036106960 568954005 /nfs/dbraw/zinc/95/40/05/568954005.db2.gz JMGJLYDCRMPNBK-GOSISDBHSA-N 0 0 426.557 5.919 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1C ZINC000036106752 568954012 /nfs/dbraw/zinc/95/40/12/568954012.db2.gz OWVOKQBMMLVZRZ-QGZVFWFLSA-N 0 0 428.985 6.125 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(C)c(C)c3)C2)c1 ZINC000064775113 568954374 /nfs/dbraw/zinc/95/43/74/568954374.db2.gz IHMSOIUPJIHCQL-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064775411 568954534 /nfs/dbraw/zinc/95/45/34/568954534.db2.gz UILKAXINTYAXCB-UHFFFAOYSA-N 0 0 441.626 5.068 50 0 IKAARN CSc1ccc(CNc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000064775658 568954695 /nfs/dbraw/zinc/95/46/95/568954695.db2.gz DRQFABZUIORYDS-UHFFFAOYSA-N 0 0 439.544 5.989 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)c(Cl)c1 ZINC000064775467 568954707 /nfs/dbraw/zinc/95/47/07/568954707.db2.gz VRGWVGMDOALUJR-UHFFFAOYSA-N 0 0 434.952 5.970 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036114856 568955256 /nfs/dbraw/zinc/95/52/56/568955256.db2.gz PBDVWQFXGCLPSM-QGZVFWFLSA-N 0 0 438.549 5.200 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3cc(C)cc(C)c3)n2)C(C)C)cc1 ZINC000036115286 568955262 /nfs/dbraw/zinc/95/52/62/568955262.db2.gz ZBSKPFRSQYBPCU-UHFFFAOYSA-N 0 0 444.622 5.247 50 0 IKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115347 568955268 /nfs/dbraw/zinc/95/52/68/568955268.db2.gz RGSWJBFWRKLMEH-UHFFFAOYSA-N 0 0 444.622 5.248 50 0 IKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)cs2)cc1 ZINC000036114642 568955286 /nfs/dbraw/zinc/95/52/86/568955286.db2.gz UAPCMRKWPQQSKI-UHFFFAOYSA-N 0 0 438.549 5.058 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1cccs1 ZINC000036115023 568955396 /nfs/dbraw/zinc/95/53/96/568955396.db2.gz SUGQXAMAUPLSPU-UHFFFAOYSA-N 0 0 436.602 6.235 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115126 568955404 /nfs/dbraw/zinc/95/54/04/568955404.db2.gz JBFQBPLPTNKKAN-SFHVURJKSA-N 0 0 439.581 5.872 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115125 568955447 /nfs/dbraw/zinc/95/54/47/568955447.db2.gz JBFQBPLPTNKKAN-GOSISDBHSA-N 0 0 439.581 5.872 50 0 IKAARN Cc1cc(C)cc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 ZINC000064787819 568956305 /nfs/dbraw/zinc/95/63/05/568956305.db2.gz LVKAZVWSJOAISU-UHFFFAOYSA-N 0 0 431.536 5.378 50 0 IKAARN CSc1ccccc1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064788025 568956460 /nfs/dbraw/zinc/95/64/60/568956460.db2.gz MCFAHYGRXPWRRT-UHFFFAOYSA-N 0 0 427.938 5.051 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000006704538 568956834 /nfs/dbraw/zinc/95/68/34/568956834.db2.gz APSSZSIDDMCLAM-XDHUDOTRSA-N 0 0 428.573 6.068 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)c3ccco3)cc2)c(C2CC2)nn1-c1cccc(C)c1 ZINC000036124840 568958793 /nfs/dbraw/zinc/95/87/93/568958793.db2.gz WOPJYSMJQBMFBS-UHFFFAOYSA-N 0 0 441.487 5.496 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CC(C)C)C(=O)Cc2cccs2)c1 ZINC000006708069 568958800 /nfs/dbraw/zinc/95/88/00/568958800.db2.gz URFIXYBWRIEIAO-UHFFFAOYSA-N 0 0 429.630 5.026 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)c2)c1 ZINC000064791618 568959143 /nfs/dbraw/zinc/95/91/43/568959143.db2.gz JNJDGBGMXHEMSF-UHFFFAOYSA-N 0 0 449.518 5.107 50 0 IKAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064798110 568960372 /nfs/dbraw/zinc/96/03/72/568960372.db2.gz FRFMXVWKQIWQSL-HNNXBMFYSA-N 0 0 437.464 5.074 50 0 IKAARN O=C1C[C@@H](c2ccccc2C(F)(F)F)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064798106 568960440 /nfs/dbraw/zinc/96/04/40/568960440.db2.gz OSRPVEVQLUMQDN-AWEZNQCLSA-N 0 0 437.464 5.074 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)C2CCC2)ccc1N(C)C ZINC000006711396 568960535 /nfs/dbraw/zinc/96/05/35/568960535.db2.gz IMKWGCLRCJZIEQ-UHFFFAOYSA-N 0 0 425.573 5.049 50 0 IKAARN Cc1ccc(C)c([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)c1 ZINC000064798775 568960579 /nfs/dbraw/zinc/96/05/79/568960579.db2.gz LTQCFHSCOLPVGO-KRWDZBQOSA-N 0 0 431.966 5.325 50 0 IKAARN CSc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 ZINC000064799339 568960751 /nfs/dbraw/zinc/96/07/51/568960751.db2.gz MJMUTPRZYOJYFS-KRWDZBQOSA-N 0 0 429.588 5.085 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)CC(C)(C)C)ccc2N(C)C)CC(C)C)c1 ZINC000006711669 568960762 /nfs/dbraw/zinc/96/07/62/568960762.db2.gz FACAXAMDMXHYHY-UHFFFAOYSA-N 0 0 437.628 5.734 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4cccc(F)c4)cc3)n2)cc1 ZINC000064801152 568960914 /nfs/dbraw/zinc/96/09/14/568960914.db2.gz DDLZZJGFZRLINO-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(F)cc2)[C@H](C)C(C)C)c1 ZINC000006712373 568961272 /nfs/dbraw/zinc/96/12/72/568961272.db2.gz HKTNBZUFDDZSAK-GOSISDBHSA-N 0 0 427.564 5.173 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(N2CCCCC2)n1 ZINC000064801509 568961461 /nfs/dbraw/zinc/96/14/61/568961461.db2.gz HXZZQBUFBNJWRW-UHFFFAOYSA-N 0 0 434.519 5.610 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)n2)cc1 ZINC000064801638 568961522 /nfs/dbraw/zinc/96/15/22/568961522.db2.gz CTUCHNOTLYUDQF-UHFFFAOYSA-N 0 0 442.498 6.364 50 0 IKAARN OC(c1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036145499 568961791 /nfs/dbraw/zinc/96/17/91/568961791.db2.gz VVFBWLQRRFJIOT-VWLOTQADSA-N 0 0 443.543 5.338 50 0 IKAARN OC(c1ccc(CN(Cc2ccco2)Cc2ccco2)o1)(c1ccccc1)c1ccccc1 ZINC000036145482 568961797 /nfs/dbraw/zinc/96/17/97/568961797.db2.gz MHQWEGLSWOASRP-UHFFFAOYSA-N 0 0 439.511 5.952 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000006721971 568962722 /nfs/dbraw/zinc/96/27/22/568962722.db2.gz WGEWABHITMUHAQ-FQEVSTJZSA-N 0 0 437.628 5.877 50 0 IKAARN CC(C)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006722085 568962944 /nfs/dbraw/zinc/96/29/44/568962944.db2.gz TYXLFSDYZJMYEU-HXUWFJFHSA-N 0 0 435.612 5.627 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)CC(C)C)ccc2N(C)C)[C@@H](C)C(C)C)c1 ZINC000006722408 568962972 /nfs/dbraw/zinc/96/29/72/568962972.db2.gz QMMFZNXJFPCRCU-NRFANRHFSA-N 0 0 437.628 5.733 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722185 568963030 /nfs/dbraw/zinc/96/30/30/568963030.db2.gz DXJDGYGVCFIYIS-QGZVFWFLSA-N 0 0 429.630 5.630 50 0 IKAARN CC(C)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000006722084 568963076 /nfs/dbraw/zinc/96/30/76/568963076.db2.gz TYXLFSDYZJMYEU-FQEVSTJZSA-N 0 0 435.612 5.627 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C(C)C ZINC000006723113 568963267 /nfs/dbraw/zinc/96/32/67/568963267.db2.gz TWNPADXKNIOTHS-QGZVFWFLSA-N 0 0 429.992 5.441 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccc(F)cc1)C(=O)N2Cc1ccccc1 ZINC000036151681 568963283 /nfs/dbraw/zinc/96/32/83/568963283.db2.gz JHTZJSFLHYODLH-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccc(F)cc1)C(=O)N2Cc1ccccc1 ZINC000036151685 568963335 /nfs/dbraw/zinc/96/33/35/568963335.db2.gz JHTZJSFLHYODLH-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723085 568963346 /nfs/dbraw/zinc/96/33/46/568963346.db2.gz KASBESJJEFLDTC-LJQANCHMSA-N 0 0 431.665 5.937 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(C)C)c1ccccc1 ZINC000006723045 568963360 /nfs/dbraw/zinc/96/33/60/568963360.db2.gz GMOIRNQBIHQLLB-DEOSSOPVSA-N 0 0 437.628 5.668 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@]2(SC(C)(C)CN2C(=O)C2CCCC2)C1=O ZINC000036153113 568963566 /nfs/dbraw/zinc/96/35/66/568963566.db2.gz QCSNSWSYLBVZFR-SANMLTNESA-N 0 0 434.605 5.239 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)c2ccc(Cl)cc2)C1=O ZINC000036152628 568963604 /nfs/dbraw/zinc/96/36/04/568963604.db2.gz JNSONGFVJSJJLQ-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN CC1(C)CN(C(=O)C2CCCC2)[C@@]2(S1)c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152887 568963756 /nfs/dbraw/zinc/96/37/56/568963756.db2.gz HRMQDXLRYUPMRU-RUZDIDTESA-N 0 0 438.568 5.070 50 0 IKAARN Cc1ccc(C(=O)N2CC(C)(C)S[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036152966 568963782 /nfs/dbraw/zinc/96/37/82/568963782.db2.gz DUCAZOUMHCSVLW-MHZLTWQESA-N 0 0 442.584 5.362 50 0 IKAARN CCN(CCCNC(=O)Cn1c(-c2cccs2)cc2ccccc21)c1cccc(C)c1 ZINC000064816488 568964125 /nfs/dbraw/zinc/96/41/25/568964125.db2.gz VXOKJJHEQFQKIM-UHFFFAOYSA-N 0 0 431.605 5.711 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccc(Cl)cc3)n(CCc3ccccc3)c(=O)c21 ZINC000064817103 568964311 /nfs/dbraw/zinc/96/43/11/568964311.db2.gz VGFLZKNQVAHZHP-UHFFFAOYSA-N 0 0 438.984 5.110 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccccc3Cl)n(CCc3ccccc3)c(=O)c21 ZINC000064817102 568964333 /nfs/dbraw/zinc/96/43/33/568964333.db2.gz DFRLDOAGROXOBH-UHFFFAOYSA-N 0 0 438.984 5.110 50 0 IKAARN CCn1nc(C)c2nc(SCc3cccc(Cl)c3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817164 568964363 /nfs/dbraw/zinc/96/43/63/568964363.db2.gz KBSJHKJPQJQZHR-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCn1nc(C)c2nc(SCc3cccc(F)c3)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817211 568964375 /nfs/dbraw/zinc/96/43/75/568964375.db2.gz OHCBUXMQLXNLHF-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000006725031 568964395 /nfs/dbraw/zinc/96/43/95/568964395.db2.gz NDVQGUAEHYXLEZ-AREMUKBSSA-N 0 0 425.532 5.330 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccccc3C)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817200 568964409 /nfs/dbraw/zinc/96/44/09/568964409.db2.gz CNDRMOPYCOVJRK-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000064817924 568965111 /nfs/dbraw/zinc/96/51/11/568965111.db2.gz GKRKLACIHAUILI-UHFFFAOYSA-N 0 0 432.973 5.422 50 0 IKAARN O=C(c1ccco1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccccc1 ZINC000036156357 568965252 /nfs/dbraw/zinc/96/52/52/568965252.db2.gz OXKZQQQVETUFFH-UHFFFAOYSA-N 0 0 427.504 5.377 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c(Cl)c1 ZINC000064819087 568966023 /nfs/dbraw/zinc/96/60/23/568966023.db2.gz NDFDSZVAFLNVKR-AWEZNQCLSA-N 0 0 448.876 5.466 50 0 IKAARN CCC(=O)N1CC(C)(C)S[C@]12c1cc(Cl)ccc1N(Cc1ccccc1C)C2=O ZINC000036155679 568966357 /nfs/dbraw/zinc/96/63/57/568966357.db2.gz GTJIUMOIHUUTMV-QHCPKHFHSA-N 0 0 428.985 5.112 50 0 IKAARN O=C(Cc1c(F)cccc1Cl)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000064818334 568966396 /nfs/dbraw/zinc/96/63/96/568966396.db2.gz DPWHUSVKRKUWPR-UHFFFAOYSA-N 0 0 434.298 5.131 50 0 IKAARN O=C(Nc1ccccc1)N1CCS[C@]12c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000036155770 568966413 /nfs/dbraw/zinc/96/64/13/568966413.db2.gz KKUVHOMCEYHCMC-DEOSSOPVSA-N 0 0 449.963 5.321 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1ccccc1F ZINC000036161095 568967321 /nfs/dbraw/zinc/96/73/21/568967321.db2.gz SFANQZJARKOPBN-UHFFFAOYSA-N 0 0 449.570 6.015 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccc(F)c1 ZINC000036161190 568967416 /nfs/dbraw/zinc/96/74/16/568967416.db2.gz HACWTVZRIOKLPN-FQEVSTJZSA-N 0 0 449.570 6.158 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccc(F)c1 ZINC000036161098 568967460 /nfs/dbraw/zinc/96/74/60/568967460.db2.gz JDKNIBHJCVBXJI-UHFFFAOYSA-N 0 0 449.570 6.015 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000036161641 568967657 /nfs/dbraw/zinc/96/76/57/568967657.db2.gz IQVJFPLNPCCBPV-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000036161734 568967762 /nfs/dbraw/zinc/96/77/62/568967762.db2.gz WLFRFFJRQQAKRU-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)Nc3cccc(C)c3)C2=O)c1 ZINC000036161802 568967795 /nfs/dbraw/zinc/96/77/95/568967795.db2.gz IHZCORSTXLWKEP-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN Cc1cccc(CN2c3ccc(F)cc3[C@]3(SCCN3C(=O)Nc3ccccc3)C2=O)c1 ZINC000036162447 568967821 /nfs/dbraw/zinc/96/78/21/568967821.db2.gz GSQGUYNCDDKWQP-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000036164812 568968241 /nfs/dbraw/zinc/96/82/41/568968241.db2.gz PMNIOXGRGOUFGZ-MHZLTWQESA-N 0 0 442.584 5.201 50 0 IKAARN CC(C)CC(=O)N1CCS[C@]12c1cc(Cl)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165730 568968364 /nfs/dbraw/zinc/96/83/64/568968364.db2.gz TXLNGLZLGMABEM-QFIPXVFZSA-N 0 0 449.403 5.315 50 0 IKAARN Cc1cccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)C3CCCC3)C2=O)c1 ZINC000036165696 568968408 /nfs/dbraw/zinc/96/84/08/568968408.db2.gz MCZTXRFGLAAPMM-XMMPIXPASA-N 0 0 440.996 5.114 50 0 IKAARN COCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000036167700 568968590 /nfs/dbraw/zinc/96/85/90/568968590.db2.gz AZHNOMPVFRTWRG-UHFFFAOYSA-N 0 0 445.534 5.352 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2C)c1 ZINC000006735093 568968704 /nfs/dbraw/zinc/96/87/04/568968704.db2.gz WNPXJMRNKQESHC-MZNJEOGPSA-N 0 0 428.573 6.068 50 0 IKAARN C[C@@H](CC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)CC(C)(C)C ZINC000006734498 568968780 /nfs/dbraw/zinc/96/87/80/568968780.db2.gz PNEPEMFDSOMSCO-HJPURHCSSA-N 0 0 428.573 6.005 50 0 IKAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2Br)c1 ZINC000064837529 568969255 /nfs/dbraw/zinc/96/92/55/568969255.db2.gz CGDMRSYJFJLRTK-UHFFFAOYSA-N 0 0 435.343 5.139 50 0 IKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000006740283 568970286 /nfs/dbraw/zinc/97/02/86/568970286.db2.gz FCRUZYFPUFGNQJ-DEOSSOPVSA-N 0 0 426.582 5.773 50 0 IKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000006740282 568970322 /nfs/dbraw/zinc/97/03/22/568970322.db2.gz FCRUZYFPUFGNQJ-XMMPIXPASA-N 0 0 426.582 5.773 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847877 568971118 /nfs/dbraw/zinc/97/11/18/568971118.db2.gz DEQOHIMIHBWSMA-CYBMUJFWSA-N 0 0 438.330 5.651 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1F ZINC000064847869 568971159 /nfs/dbraw/zinc/97/11/59/568971159.db2.gz PXCKKFHGGYLSOX-AWEZNQCLSA-N 0 0 433.911 5.006 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000064847798 568971225 /nfs/dbraw/zinc/97/12/25/568971225.db2.gz JYHZQXRFYZOCPI-MRXNPFEDSA-N 0 0 429.948 5.257 50 0 IKAARN C[C@H](C(=O)Nc1ccc(Cl)cc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847874 568971251 /nfs/dbraw/zinc/97/12/51/568971251.db2.gz DEQOHIMIHBWSMA-ZDUSSCGKSA-N 0 0 438.330 5.651 50 0 IKAARN C[C@H](C(=O)Nc1ccccc1Br)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847998 568971357 /nfs/dbraw/zinc/97/13/57/568971357.db2.gz OVZSDGKKSINQKU-AWEZNQCLSA-N 0 0 448.336 5.107 50 0 IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3C(F)(F)F)CC1)c1cccn1-2 ZINC000064848281 568971541 /nfs/dbraw/zinc/97/15/41/568971541.db2.gz PFLKXKYYRHITGM-UHFFFAOYSA-N 0 0 441.453 5.062 50 0 biogenic IKAARN O=C(Nc1ccc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1)c1ccco1 ZINC000064844838 568971719 /nfs/dbraw/zinc/97/17/19/568971719.db2.gz SGKJLWIXQAPNLE-UHFFFAOYSA-N 0 0 442.475 5.492 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C(=O)c1ccc(Cl)cc1)C(C)C ZINC000036208194 568973166 /nfs/dbraw/zinc/97/31/66/568973166.db2.gz QEDQXBLPBUAJAH-UHFFFAOYSA-N 0 0 425.960 5.892 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccccc1)C(=O)c1ccco1 ZINC000036208166 568973234 /nfs/dbraw/zinc/97/32/34/568973234.db2.gz ZQAKEBZTXNAPTN-UHFFFAOYSA-N 0 0 429.520 5.623 50 0 IKAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3cccc4ccccc43)ccc21 ZINC000064862330 568974033 /nfs/dbraw/zinc/97/40/33/568974033.db2.gz KVHJTYOGPGLBGF-UHFFFAOYSA-N 0 0 449.576 5.045 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3NC2=O)c1 ZINC000036209948 568974433 /nfs/dbraw/zinc/97/44/33/568974433.db2.gz SQYUXQJJOVQNQQ-MISANPTQSA-N 0 0 436.577 5.335 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 ZINC000006753180 568975403 /nfs/dbraw/zinc/97/54/03/568975403.db2.gz QPPAFBHJXCLXQL-NRFANRHFSA-N 0 0 425.532 5.312 50 0 IKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccccc2C(F)(F)F)CC3)cc1 ZINC000064868021 568975499 /nfs/dbraw/zinc/97/54/99/568975499.db2.gz RENIJKNYXXNEHO-UHFFFAOYSA-N 0 0 447.482 5.818 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cccc(SC)c2)=Nc2ccccc2N1 ZINC000064869733 568976316 /nfs/dbraw/zinc/97/63/16/568976316.db2.gz KCVCKJOMVZWLKC-UHFFFAOYSA-N 0 0 441.578 5.073 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869712 568976317 /nfs/dbraw/zinc/97/63/17/568976317.db2.gz SYGXKLVFTACZRH-UHFFFAOYSA-N 0 0 429.929 5.005 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cccc(C)c2Cl)=Nc2ccccc2N1 ZINC000064869744 568976473 /nfs/dbraw/zinc/97/64/73/568976473.db2.gz ZWSYAHRNWCQIMS-UHFFFAOYSA-N 0 0 443.956 5.313 50 0 IKAARN CCOC(=O)CC1=CC(S[C@H](CC)C(=O)Nc2ccccc2C)=Nc2ccccc2N1 ZINC000064869862 568976482 /nfs/dbraw/zinc/97/64/82/568976482.db2.gz RCHOGDHUKYMUIP-OAQYLSRUSA-N 0 0 437.565 5.438 50 0 IKAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(Cl)cc1 ZINC000064872106 568977768 /nfs/dbraw/zinc/97/77/68/568977768.db2.gz MVDMMYOOKYXGNI-UHFFFAOYSA-N 0 0 441.361 5.132 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000064872011 568977926 /nfs/dbraw/zinc/97/79/26/568977926.db2.gz AFYSCJNNZSABGC-UHFFFAOYSA-N 0 0 434.970 5.041 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064872388 568978401 /nfs/dbraw/zinc/97/84/01/568978401.db2.gz IHEMXPAMBKWAKW-UHFFFAOYSA-N 0 0 432.543 5.480 50 0 IKAARN Cc1cc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)ccc1Br ZINC000064872244 568978414 /nfs/dbraw/zinc/97/84/14/568978414.db2.gz BUGRYMOSYFXOOU-UHFFFAOYSA-N 0 0 437.362 6.529 50 0 IKAARN Cc1ccc(-c2csc(C(=O)Nc3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1 ZINC000064872304 568978436 /nfs/dbraw/zinc/97/84/36/568978436.db2.gz FWIMLPCKHRCTAN-UHFFFAOYSA-N 0 0 426.463 6.785 50 0 IKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2-n2cccc2)cc1 ZINC000064872307 568978456 /nfs/dbraw/zinc/97/84/56/568978456.db2.gz VGBKRIKYEDBPHV-UHFFFAOYSA-N 0 0 442.462 6.665 50 0 IKAARN CSc1ccc(CNC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 ZINC000064872373 568978464 /nfs/dbraw/zinc/97/84/64/568978464.db2.gz HACJCLADQFDVKF-UHFFFAOYSA-N 0 0 439.005 6.511 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064872240 568978471 /nfs/dbraw/zinc/97/84/71/568978471.db2.gz DESGMISMWANTJX-UHFFFAOYSA-N 0 0 428.435 6.357 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872345 568978481 /nfs/dbraw/zinc/97/84/81/568978481.db2.gz CRMMUNFQMAXZFQ-UHFFFAOYSA-N 0 0 446.425 6.496 50 0 IKAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2Cl)C(=O)CC(C)(C)C)C1 ZINC000006765660 568978859 /nfs/dbraw/zinc/97/88/59/568978859.db2.gz GOBGFYACVAQMMQ-GOSISDBHSA-N 0 0 428.960 5.307 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000064887904 568979020 /nfs/dbraw/zinc/97/90/20/568979020.db2.gz PUGXXQOBHQZAON-UHFFFAOYSA-N 0 0 434.337 5.204 50 0 IKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)Cc1ccccc1 ZINC000036245813 568981452 /nfs/dbraw/zinc/98/14/52/568981452.db2.gz BROPWBQVJMGYBN-UHFFFAOYSA-N 0 0 431.580 5.763 50 0 IKAARN CC(C)NC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 ZINC000036245819 568981487 /nfs/dbraw/zinc/98/14/87/568981487.db2.gz HGDWCYLPPKYAKJ-UHFFFAOYSA-N 0 0 436.556 5.291 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1cccc(Br)c1 ZINC000036246232 568981696 /nfs/dbraw/zinc/98/16/96/568981696.db2.gz MGUPWOHSDRCMOD-UHFFFAOYSA-N 0 0 436.758 5.498 50 0 IKAARN COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036246361 568981737 /nfs/dbraw/zinc/98/17/37/568981737.db2.gz BLIROVKKPJFXHN-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN CC(C)N(C)c1onc(-c2ccccc2)c1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000036245943 568981761 /nfs/dbraw/zinc/98/17/61/568981761.db2.gz YWVLXEQSCUYZQJ-UHFFFAOYSA-N 0 0 435.549 5.683 50 0 IKAARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246161 568981771 /nfs/dbraw/zinc/98/17/71/568981771.db2.gz MFJIVKBKMWNWOF-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246809 568981861 /nfs/dbraw/zinc/98/18/61/568981861.db2.gz LTEHOQGFBGUOIL-KRWDZBQOSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246775 568981864 /nfs/dbraw/zinc/98/18/64/568981864.db2.gz UEPVYCDYZDQCIR-KRWDZBQOSA-N 0 0 429.513 5.108 50 0 IKAARN COc1cccc([C@H](C)N(c2cccc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246928 568982068 /nfs/dbraw/zinc/98/20/68/568982068.db2.gz STIQMCDBAUIKEY-INIZCTEOSA-N 0 0 431.941 5.314 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246870 568982079 /nfs/dbraw/zinc/98/20/79/568982079.db2.gz QLIFQGWHFUZUTR-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246999 568982104 /nfs/dbraw/zinc/98/21/04/568982104.db2.gz XWGYYERSRCMHDL-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246852 568982154 /nfs/dbraw/zinc/98/21/54/568982154.db2.gz GPLQGIUDMLXIRC-INIZCTEOSA-N 0 0 431.941 5.314 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000036247144 568982171 /nfs/dbraw/zinc/98/21/71/568982171.db2.gz NYUFZXSUCFWSRS-UHFFFAOYSA-N 0 0 448.466 5.059 50 0 IKAARN COc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@@H](C)c2cccc(OC)c2)cc1 ZINC000036247822 568982515 /nfs/dbraw/zinc/98/25/15/568982515.db2.gz OWIYHBFAUTYXKP-INIZCTEOSA-N 0 0 431.941 5.314 50 0 IKAARN COc1cc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(F)ccc2C)cc(OC)c1 ZINC000036248354 568982609 /nfs/dbraw/zinc/98/26/09/568982609.db2.gz JTOBYOVPHIDZNB-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN COc1ccccc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036248532 568982996 /nfs/dbraw/zinc/98/29/96/568982996.db2.gz GAQJKRGCLPMKJL-UHFFFAOYSA-N 0 0 440.323 5.537 50 0 IKAARN COc1cccc(CN(c2cccc(OC)c2)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248838 568983067 /nfs/dbraw/zinc/98/30/67/568983067.db2.gz FVMZUTYWHQUAMW-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036249430 568983198 /nfs/dbraw/zinc/98/31/98/568983198.db2.gz BGYJIYPLGZHACU-UHFFFAOYSA-N 0 0 447.535 5.111 50 0 IKAARN COc1cccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)c1 ZINC000036249448 568983228 /nfs/dbraw/zinc/98/32/28/568983228.db2.gz XIHPJBMBYNANJO-UHFFFAOYSA-N 0 0 431.536 5.145 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248729 568983394 /nfs/dbraw/zinc/98/33/94/568983394.db2.gz LCEFKPBKCPGLRM-INIZCTEOSA-N 0 0 447.503 5.247 50 0 IKAARN COc1cccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036248656 568983406 /nfs/dbraw/zinc/98/34/06/568983406.db2.gz WGLQFJIJGQVQSG-INIZCTEOSA-N 0 0 433.932 5.753 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248622 568983411 /nfs/dbraw/zinc/98/34/11/568983411.db2.gz PRQBUJSEDHFGNT-INIZCTEOSA-N 0 0 433.932 5.753 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(OC)cc1 ZINC000036249453 568983571 /nfs/dbraw/zinc/98/35/71/568983571.db2.gz PIHCYLGFNCDXIP-UHFFFAOYSA-N 0 0 433.552 5.393 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccc(OC)c1 ZINC000036249462 568983596 /nfs/dbraw/zinc/98/35/96/568983596.db2.gz UXNRTOAWABREDO-UHFFFAOYSA-N 0 0 433.552 5.393 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C(=O)CC(C)C ZINC000036249527 568983892 /nfs/dbraw/zinc/98/38/92/568983892.db2.gz QWBVDPHMVVTFQG-UHFFFAOYSA-N 0 0 427.589 5.132 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1 ZINC000036249613 568984026 /nfs/dbraw/zinc/98/40/26/568984026.db2.gz QFSBMDLZCLNAGO-UHFFFAOYSA-N 0 0 433.577 5.008 50 0 IKAARN Cc1ccc(CN2CCN(C(=O)Nc3ccc(Br)cc3)c3cccnc32)cc1 ZINC000064929607 568988085 /nfs/dbraw/zinc/98/80/85/568988085.db2.gz JGQDIMDRQNPLGA-UHFFFAOYSA-N 0 0 437.341 5.211 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)s1 ZINC000064930156 568988614 /nfs/dbraw/zinc/98/86/14/568988614.db2.gz GQJOQMXOFJBOAS-INIZCTEOSA-N 0 0 447.347 5.075 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000064930451 568988877 /nfs/dbraw/zinc/98/88/77/568988877.db2.gz NUKABGPPWDJQGV-KRWDZBQOSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)Nc3ccccc3Cl)s2)cc1 ZINC000064930559 568989078 /nfs/dbraw/zinc/98/90/78/568989078.db2.gz HZRQKVSBIZQCET-QGZVFWFLSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C[C@H](C)c3ccccc3)c2C(=O)[O-])cc1 ZINC000006795595 568989971 /nfs/dbraw/zinc/98/99/71/568989971.db2.gz GPFOCSPAIMBAHE-NRFANRHFSA-N 0 0 426.560 5.898 50 0 IKAARN CCCCCCC(=O)Nc1ccc(N2CCCC[C@H]2C)c(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000169677926 568990606 /nfs/dbraw/zinc/99/06/06/568990606.db2.gz RTFJOLISWVDGQD-RBUKOAKNSA-N 0 0 437.650 5.051 50 0 IKAARN Cc1c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2oc1-c1nc(-c2ccccc2)no1 ZINC000064948566 568994393 /nfs/dbraw/zinc/99/43/93/568994393.db2.gz XWIFMKRRNBYXHL-UHFFFAOYSA-N 0 0 445.500 5.567 50 0 IKAARN Nc1c(-c2nc(-c3ccccc3Cl)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 ZINC000064948762 568994452 /nfs/dbraw/zinc/99/44/52/568994452.db2.gz OOPAIUBVNKOZIX-UHFFFAOYSA-N 0 0 445.935 6.086 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(Cc1ccco1)C[C@H](C)O ZINC000036304722 568994698 /nfs/dbraw/zinc/99/46/98/568994698.db2.gz PQEWXKRFZSAGMZ-FQEVSTJZSA-N 0 0 431.536 5.257 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000064949245 568994790 /nfs/dbraw/zinc/99/47/90/568994790.db2.gz JPUASECLTCCVOZ-UHFFFAOYSA-N 0 0 425.945 5.094 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1F ZINC000064949375 568995016 /nfs/dbraw/zinc/99/50/16/568995016.db2.gz SVVRXJKVRUNZPR-UHFFFAOYSA-N 0 0 443.507 5.123 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000064949254 568995022 /nfs/dbraw/zinc/99/50/22/568995022.db2.gz NSQJWBIGJOVVQU-UHFFFAOYSA-N 0 0 425.945 5.094 50 0 IKAARN O=C(CSc1nc2ccccc2n2c(-c3ccccc3)nnc12)Nc1cccc(Cl)c1 ZINC000064949329 568995032 /nfs/dbraw/zinc/99/50/32/568995032.db2.gz AFKSGJNRTXQGGB-UHFFFAOYSA-N 0 0 445.935 5.329 50 0 IKAARN Cc1ccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc43)n2)cc1C ZINC000064949911 568995348 /nfs/dbraw/zinc/99/53/48/568995348.db2.gz BIIRYQYYEQJCJL-UHFFFAOYSA-N 0 0 428.879 5.373 50 0 IKAARN Cc1cccc(-n2nc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c3ccccc3c2=O)c1 ZINC000064949785 568995446 /nfs/dbraw/zinc/99/54/46/568995446.db2.gz WCOBEVYCMJARCZ-UHFFFAOYSA-N 0 0 448.404 5.430 50 0 IKAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)N(C)CC)cc2)n1 ZINC000006802223 568995459 /nfs/dbraw/zinc/99/54/59/568995459.db2.gz RZIQPEUXILJNJE-UHFFFAOYSA-N 0 0 426.630 5.192 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+][C@@H](C)CCc2ccccc2)c1C(=O)[O-] ZINC000006803606 568995906 /nfs/dbraw/zinc/99/59/06/568995906.db2.gz ZWXUOAMUHORXME-NRFANRHFSA-N 0 0 426.560 5.807 50 0 IKAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C(=O)c1ccccc1 ZINC000036312811 568997879 /nfs/dbraw/zinc/99/78/79/568997879.db2.gz LLKGBMPXMZARRU-NRFANRHFSA-N 0 0 447.579 5.399 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C(=O)c1ccc(C)cc1 ZINC000036312779 568997882 /nfs/dbraw/zinc/99/78/82/568997882.db2.gz GLIWLQZNNKYVOZ-NRFANRHFSA-N 0 0 447.579 5.318 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)Nc1ccc(C)cc1 ZINC000036312874 568997906 /nfs/dbraw/zinc/99/79/06/568997906.db2.gz UWVMMXWCPNTENN-UHFFFAOYSA-N 0 0 448.567 5.321 50 0 IKAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C(=O)c1ccccc1 ZINC000036312810 568997953 /nfs/dbraw/zinc/99/79/53/568997953.db2.gz LLKGBMPXMZARRU-OAQYLSRUSA-N 0 0 447.579 5.399 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCCc3ccccc3)c(C)c12 ZINC000006808559 568998196 /nfs/dbraw/zinc/99/81/96/568998196.db2.gz GOAXEXJDPRYJTN-UHFFFAOYSA-N 0 0 426.564 5.027 50 0 IKAARN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc(C(C)C)cc3)C3CCCC3)CC2)cc1 ZINC000036311754 568998268 /nfs/dbraw/zinc/99/82/68/568998268.db2.gz CIGPVEBXLWEFGX-AREMUKBSSA-N 0 0 447.623 5.074 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1OC ZINC000064955657 568998671 /nfs/dbraw/zinc/99/86/71/568998671.db2.gz GHHJYHPZXXZXDK-MRXNPFEDSA-N 0 0 449.938 5.246 50 0 IKAARN CC(C)c1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955678 568998714 /nfs/dbraw/zinc/99/87/14/568998714.db2.gz AJVPNXIYKXJYHY-SFHVURJKSA-N 0 0 431.967 6.352 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955902 568998779 /nfs/dbraw/zinc/99/87/79/568998779.db2.gz ODHFCMRQORVZRE-UHFFFAOYSA-N 0 0 431.511 5.333 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1OC ZINC000064956059 568998790 /nfs/dbraw/zinc/99/87/90/568998790.db2.gz JLVKZSUVPPPFEV-INIZCTEOSA-N 0 0 449.938 5.246 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1OC ZINC000064955695 568998793 /nfs/dbraw/zinc/99/87/93/568998793.db2.gz MHVMHPRMNMIYFC-UHFFFAOYSA-N 0 0 449.938 5.075 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000169683108 568999142 /nfs/dbraw/zinc/99/91/42/568999142.db2.gz USUKRHRKFGRIRR-GFQSEFKGSA-N 0 0 430.858 5.193 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCc2ccc(Br)cc2)C1 ZINC000036314970 568999431 /nfs/dbraw/zinc/99/94/31/568999431.db2.gz VISBYJKGLUOHCO-MRXNPFEDSA-N 0 0 443.168 5.577 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000169684120 569000063 /nfs/dbraw/zinc/00/00/63/569000063.db2.gz DQGDTCJGHWXRNJ-RYRKJORJSA-N 0 0 440.897 5.602 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(N[C@@H]2CCCc3ccccc32)n1 ZINC000064960320 569000218 /nfs/dbraw/zinc/00/02/18/569000218.db2.gz NULWKTIXGLTIBS-GOSISDBHSA-N 0 0 432.455 5.090 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(Cl)cc3)c2c(Nc2ccc(Cl)cc2)n1 ZINC000064960214 569000259 /nfs/dbraw/zinc/00/02/59/569000259.db2.gz VKCMSGZAQQCKBV-UHFFFAOYSA-N 0 0 429.263 5.512 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccs3)C[C@@H]21 ZINC000169685663 569000390 /nfs/dbraw/zinc/00/03/90/569000390.db2.gz ZDVSAQCEHFPQNZ-UUOWRZLLSA-N 0 0 436.533 5.406 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000064960787 569000440 /nfs/dbraw/zinc/00/04/40/569000440.db2.gz STPOMTYGAPGNMX-UHFFFAOYSA-N 0 0 445.972 5.082 50 0 IKAARN CCCn1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(=O)c2cc(F)ccc21 ZINC000064963716 569000721 /nfs/dbraw/zinc/00/07/21/569000721.db2.gz AMRRHJZQJLMSPH-UHFFFAOYSA-N 0 0 433.361 5.166 50 0 IKAARN CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000064967153 569001692 /nfs/dbraw/zinc/00/16/92/569001692.db2.gz LJIGEWXKYMJEPS-UHFFFAOYSA-N 0 0 429.545 6.012 50 0 IKAARN Cc1ccc(CNC(=O)CSC2=Nc3ccccc3N=C(c3ccc(C)cc3)C2)cc1 ZINC000064967237 569001728 /nfs/dbraw/zinc/00/17/28/569001728.db2.gz NMOYBTVHCXBFPM-UHFFFAOYSA-N 0 0 427.573 5.908 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(F)c(F)c3)C2)cc1 ZINC000064967207 569001749 /nfs/dbraw/zinc/00/17/49/569001749.db2.gz DUCMCNWVZABOLU-UHFFFAOYSA-N 0 0 435.499 6.200 50 0 IKAARN CSc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(C)cc3)C2)c1 ZINC000064967214 569001793 /nfs/dbraw/zinc/00/17/93/569001793.db2.gz CKNXEJJTSPHHIG-UHFFFAOYSA-N 0 0 445.613 6.643 50 0 IKAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(OC)cc3)C2)cc1 ZINC000064967300 569001869 /nfs/dbraw/zinc/00/18/69/569001869.db2.gz JTEZVIXUAHTYNN-UHFFFAOYSA-N 0 0 443.572 6.184 50 0 IKAARN CCc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(OC)cc3)C2)c1 ZINC000064967298 569001886 /nfs/dbraw/zinc/00/18/86/569001886.db2.gz NBJSDVSLANQBTN-UHFFFAOYSA-N 0 0 443.572 6.184 50 0 IKAARN Cc1ccc(CNC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)cc1 ZINC000064967379 569001896 /nfs/dbraw/zinc/00/18/96/569001896.db2.gz AAWMRJKUXVEMDH-UHFFFAOYSA-N 0 0 447.991 6.253 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1C ZINC000064967426 569001911 /nfs/dbraw/zinc/00/19/11/569001911.db2.gz DTLOLOZIBPJJGT-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN C[C@H](NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000064968104 569001941 /nfs/dbraw/zinc/00/19/41/569001941.db2.gz YCMJFMOGHYZLKS-VZQOBPCUSA-N 0 0 428.576 5.948 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000064967290 569001957 /nfs/dbraw/zinc/00/19/57/569001957.db2.gz WVOGKLPXQFKPPF-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)cc1 ZINC000064968476 569076123 /nfs/dbraw/zinc/07/61/23/569076123.db2.gz BVHDEGXPPULBMU-UHFFFAOYSA-N 0 0 432.495 5.667 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)cc1 ZINC000064968462 569076128 /nfs/dbraw/zinc/07/61/28/569076128.db2.gz AZCDPYBVBJVWRS-UHFFFAOYSA-N 0 0 444.531 5.536 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nsc2ccccc21 ZINC000064972680 569077005 /nfs/dbraw/zinc/07/70/05/569077005.db2.gz BSWHSAJDIQMTCD-KRWDZBQOSA-N 0 0 429.545 5.300 50 0 IKAARN Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1NC(=O)c1nsc2ccccc21 ZINC000064972612 569077031 /nfs/dbraw/zinc/07/70/31/569077031.db2.gz PWMURBJPLFCRRB-QGZVFWFLSA-N 0 0 429.545 5.391 50 0 IKAARN O=C(Oc1cccc(Cl)c1)c1cn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 ZINC000064977317 569077063 /nfs/dbraw/zinc/07/70/63/569077063.db2.gz NSHDNLHEXJOOTQ-UHFFFAOYSA-N 0 0 443.808 5.882 50 0 IKAARN Cc1ccc(-c2nc3c4ccccc4n([C@H](C)C(=O)c4ccc(C)c(C)c4)c(=O)n3n2)cc1 ZINC000064977852 569077701 /nfs/dbraw/zinc/07/77/01/569077701.db2.gz BJZRFCDGKBWDRD-LJQANCHMSA-N 0 0 436.515 5.080 50 0 IKAARN Cc1ccc(-c2nc3c4ccccc4n([C@@H](C)C(=O)c4ccc(C)c(C)c4)c(=O)n3n2)cc1 ZINC000064977851 569077737 /nfs/dbraw/zinc/07/77/37/569077737.db2.gz BJZRFCDGKBWDRD-IBGZPJMESA-N 0 0 436.515 5.080 50 0 IKAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CCCC1)c1cccc(F)c1 ZINC000064979837 569078277 /nfs/dbraw/zinc/07/82/77/569078277.db2.gz ZDUFHDKBVOFSSW-UHFFFAOYSA-N 0 0 432.520 6.132 50 0 IKAARN CCN1c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2Sc2ccccc2C1=O ZINC000064979739 569078306 /nfs/dbraw/zinc/07/83/06/569078306.db2.gz IYEGLLJBTMJRGR-UHFFFAOYSA-N 0 0 426.900 5.863 50 0 IKAARN CCCN1c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2Sc2ccccc2C1=O ZINC000064979768 569078312 /nfs/dbraw/zinc/07/83/12/569078312.db2.gz YLGQJAJQARPOMM-QGZVFWFLSA-N 0 0 432.545 5.614 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980186 569078345 /nfs/dbraw/zinc/07/83/45/569078345.db2.gz PRUZUYABUSYUGN-UHFFFAOYSA-N 0 0 447.947 6.578 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980209 569078353 /nfs/dbraw/zinc/07/83/53/569078353.db2.gz PAACEOWZWAEJBP-UHFFFAOYSA-N 0 0 447.947 6.578 50 0 IKAARN CCCN1c2ccc(-c3noc(Cc4ccc(F)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980195 569078399 /nfs/dbraw/zinc/07/83/99/569078399.db2.gz CHIVPZREIGHMHQ-UHFFFAOYSA-N 0 0 445.519 5.988 50 0 IKAARN CCN1c2ccc(-c3noc(/C=C/c4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064980177 569078434 /nfs/dbraw/zinc/07/84/34/569078434.db2.gz HXRXPLWUCVVEEL-NTCAYCPXSA-N 0 0 425.513 6.038 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036340907 569078784 /nfs/dbraw/zinc/07/87/84/569078784.db2.gz CVKMSWOKOSTYOS-RUZDIDTESA-N 0 0 431.967 5.458 50 0 IKAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036341021 569079151 /nfs/dbraw/zinc/07/91/51/569079151.db2.gz JTQQXFWNVWBIPC-RUZDIDTESA-N 0 0 447.966 5.158 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccccc1)C[C@H](C)O ZINC000036342147 569079618 /nfs/dbraw/zinc/07/96/18/569079618.db2.gz BUWXARCNYRRJMM-NRFANRHFSA-N 0 0 427.548 5.356 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343897 569079851 /nfs/dbraw/zinc/07/98/51/569079851.db2.gz NJTJXVQCMNXOEG-AREMUKBSSA-N 0 0 445.994 5.767 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036343575 569079860 /nfs/dbraw/zinc/07/98/60/569079860.db2.gz ZNGZXJROEDJAJH-MHZLTWQESA-N 0 0 425.576 5.422 50 0 IKAARN CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036343971 569079931 /nfs/dbraw/zinc/07/99/31/569079931.db2.gz KOMADRYMTJOJSW-SANMLTNESA-N 0 0 445.538 5.034 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344611 569080175 /nfs/dbraw/zinc/08/01/75/569080175.db2.gz KGQLTUOXPFBIFE-HHHXNRCGSA-N 0 0 425.576 5.422 50 0 IKAARN Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCc3ccccc3C2)c1 ZINC000036344516 569080292 /nfs/dbraw/zinc/08/02/92/569080292.db2.gz QHOGCJLEQBUCTO-MHZLTWQESA-N 0 0 441.550 5.179 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036344793 569080317 /nfs/dbraw/zinc/08/03/17/569080317.db2.gz NMCLXXYXEBMPEV-HHHXNRCGSA-N 0 0 441.550 5.179 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344610 569080320 /nfs/dbraw/zinc/08/03/20/569080320.db2.gz KGQLTUOXPFBIFE-MHZLTWQESA-N 0 0 425.576 5.422 50 0 IKAARN Cc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345054 569080423 /nfs/dbraw/zinc/08/04/23/569080423.db2.gz UJOAUVZMXNBFAI-RUZDIDTESA-N 0 0 431.967 5.458 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344987 569080480 /nfs/dbraw/zinc/08/04/80/569080480.db2.gz SBKVFUMURSZDEY-NDEPHWFRSA-N 0 0 437.587 5.348 50 0 IKAARN COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345146 569080682 /nfs/dbraw/zinc/08/06/82/569080682.db2.gz DBSJKQMMDKVMNI-HHHXNRCGSA-N 0 0 441.575 5.122 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2C)=NN1C(=O)CN(C)c1ccccc1 ZINC000036345349 569080716 /nfs/dbraw/zinc/08/07/16/569080716.db2.gz RVNIEHOXEZUOGH-VWLOTQADSA-N 0 0 427.548 5.126 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCc3ccccc3C2)c(C)c1 ZINC000036345739 569080902 /nfs/dbraw/zinc/08/09/02/569080902.db2.gz LMLSEFUUNCKYMV-MHZLTWQESA-N 0 0 441.550 5.179 50 0 IKAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345772 569080942 /nfs/dbraw/zinc/08/09/42/569080942.db2.gz QCBFJZWRPBJDRL-HHHXNRCGSA-N 0 0 441.575 5.122 50 0 IKAARN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1OC ZINC000036347360 569081340 /nfs/dbraw/zinc/08/13/40/569081340.db2.gz CIIPEQWOIORCMA-QFIPXVFZSA-N 0 0 430.470 5.519 50 0 IKAARN FC(F)(F)c1ccc([C@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036347354 569081473 /nfs/dbraw/zinc/08/14/73/569081473.db2.gz GMAYWGULOJCYMC-NRFANRHFSA-N 0 0 438.415 6.521 50 0 IKAARN FC(F)(F)c1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347492 569081518 /nfs/dbraw/zinc/08/15/18/569081518.db2.gz KREAUFDUBKJXMS-NRFANRHFSA-N 0 0 439.308 6.809 50 0 IKAARN CC(=O)c1ccc(Oc2cc(C(C)C)nc(SCc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000036349504 569081695 /nfs/dbraw/zinc/08/16/95/569081695.db2.gz ZAIKOTQCMSJHCL-UHFFFAOYSA-N 0 0 446.494 6.906 50 0 IKAARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2Cl)c(OC)c1OC ZINC000036348522 569081910 /nfs/dbraw/zinc/08/19/10/569081910.db2.gz BJCHNKZNEWSCRO-JOCHJYFZSA-N 0 0 426.944 5.163 50 0 IKAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1 ZINC000064989639 569083041 /nfs/dbraw/zinc/08/30/41/569083041.db2.gz NOIVYANKONBJGO-UHFFFAOYSA-N 0 0 425.315 5.126 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)cc4Cl)cc32)cc1 ZINC000064990306 569083271 /nfs/dbraw/zinc/08/32/71/569083271.db2.gz JMPHLUNGLYOFSC-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064990539 569083378 /nfs/dbraw/zinc/08/33/78/569083378.db2.gz HLJUXOULNWLPSD-QGZVFWFLSA-N 0 0 433.939 5.562 50 0 IKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(Cl)c4C)cc32)c1 ZINC000064990863 569083454 /nfs/dbraw/zinc/08/34/54/569083454.db2.gz JWJWGMRMYMUAKL-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)o1 ZINC000036352202 569083762 /nfs/dbraw/zinc/08/37/62/569083762.db2.gz ZRCOSKIKYZGMFU-NQIIRXRSSA-N 0 0 433.722 6.791 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000036352183 569083791 /nfs/dbraw/zinc/08/37/91/569083791.db2.gz RZKSATDHOQETOI-GMAHTHKFSA-N 0 0 427.306 6.683 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000036352158 569083793 /nfs/dbraw/zinc/08/37/93/569083793.db2.gz AEMVLFYCLXAYJK-SQHAQQRYSA-N 0 0 442.559 6.244 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000036352217 569083819 /nfs/dbraw/zinc/08/38/19/569083819.db2.gz SLGJSGHSAKMINS-PXJZQJOASA-N 0 0 440.587 7.231 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000036352225 569083876 /nfs/dbraw/zinc/08/38/76/569083876.db2.gz QHLFBLZCLTWWCE-DHLKQENFSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000036352221 569083912 /nfs/dbraw/zinc/08/39/12/569083912.db2.gz QLYJDPXFWFSPMG-VPUSJEBWSA-N 0 0 446.978 7.104 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2cccc(F)c2)cc1 ZINC000036352237 569084023 /nfs/dbraw/zinc/08/40/23/569084023.db2.gz RQZYOSJDZGDWNG-BVAGGSTKSA-N 0 0 432.495 5.865 50 0 IKAARN Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3F)C23CCCCC3)n1 ZINC000036354844 569084280 /nfs/dbraw/zinc/08/42/80/569084280.db2.gz SMXHVGFMSUGDBD-OAQYLSRUSA-N 0 0 449.551 5.676 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)ccc2F)c1 ZINC000006833906 569084314 /nfs/dbraw/zinc/08/43/14/569084314.db2.gz ARUJWFAUGVXPGK-XDHUDOTRSA-N 0 0 428.573 6.068 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)ccc2F)c1 ZINC000006833902 569084326 /nfs/dbraw/zinc/08/43/26/569084326.db2.gz ARUJWFAUGVXPGK-MZNJEOGPSA-N 0 0 428.573 6.068 50 0 IKAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3F)C23CCCCC3)n1 ZINC000036354843 569084372 /nfs/dbraw/zinc/08/43/72/569084372.db2.gz SMXHVGFMSUGDBD-NRFANRHFSA-N 0 0 449.551 5.676 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(OC)c2)c1 ZINC000006834166 569084399 /nfs/dbraw/zinc/08/43/99/569084399.db2.gz NTBRGEKZBMAGHY-BXKMTCNYSA-N 0 0 426.582 5.629 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(OC)c2)c1 ZINC000006834167 569084412 /nfs/dbraw/zinc/08/44/12/569084412.db2.gz NTBRGEKZBMAGHY-OSPHWJPCSA-N 0 0 426.582 5.629 50 0 IKAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)Nc4ccccc4)CC3)n2)c1 ZINC000006837547 569084862 /nfs/dbraw/zinc/08/48/62/569084862.db2.gz OOMXCHKNGUYHJX-UHFFFAOYSA-N 0 0 429.568 5.238 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)c3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006836371 569084925 /nfs/dbraw/zinc/08/49/25/569084925.db2.gz ICZKWZVDZODJTM-KBMIEXCESA-N 0 0 426.560 6.138 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 ZINC000036358195 569084957 /nfs/dbraw/zinc/08/49/57/569084957.db2.gz VMJWREAXMXAMRA-UHFFFAOYSA-N 0 0 444.409 5.211 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1OC ZINC000006838154 569084999 /nfs/dbraw/zinc/08/49/99/569084999.db2.gz FEXZACRANGTKGV-BXKMTCNYSA-N 0 0 426.582 5.629 50 0 IKAARN Cc1ccc(N(C)C(=O)c2c3c(cn(-c4ccc(F)cc4)c2=O)C(=O)CC(C)(C)C3)cc1C ZINC000065000139 569085761 /nfs/dbraw/zinc/08/57/61/569085761.db2.gz XBXZORPHJRIKSL-UHFFFAOYSA-N 0 0 446.522 5.025 50 0 IKAARN Cc1cccc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c1C ZINC000065000264 569085895 /nfs/dbraw/zinc/08/58/95/569085895.db2.gz LZXJXTAGZLZCGU-UHFFFAOYSA-N 0 0 432.495 5.001 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccc(C)c(C)c4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000498 569086012 /nfs/dbraw/zinc/08/60/12/569086012.db2.gz NCJAWVBIGUQJBA-UHFFFAOYSA-N 0 0 428.532 5.170 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl ZINC000002026826 569086259 /nfs/dbraw/zinc/08/62/59/569086259.db2.gz GMBPMJRDXIRUGA-NRFANRHFSA-N 0 0 443.330 5.426 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000064999800 569086294 /nfs/dbraw/zinc/08/62/94/569086294.db2.gz URAWCOIWZKKDCT-UHFFFAOYSA-N 0 0 446.981 5.105 50 0 IKAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c(OC)c1 ZINC000036359644 569086384 /nfs/dbraw/zinc/08/63/84/569086384.db2.gz GZVWYPCVMVCPBH-XMMPIXPASA-N 0 0 448.563 5.137 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cc(Br)ccc1Cl ZINC000036360858 569086674 /nfs/dbraw/zinc/08/66/74/569086674.db2.gz XADZDUSEWSYETK-UHFFFAOYSA-N 0 0 444.672 5.264 50 0 IKAARN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(C)cc3)c2c1 ZINC000006844235 569087803 /nfs/dbraw/zinc/08/78/03/569087803.db2.gz PRZIQAMBNBAJBZ-UHFFFAOYSA-N 0 0 431.536 6.038 50 0 IKAARN CCCCN(CC)S(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065010968 569088437 /nfs/dbraw/zinc/08/84/37/569088437.db2.gz SRXSKHPGIXJKAL-UHFFFAOYSA-N 0 0 448.629 5.185 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2c1OCC(C)C ZINC000065023076 569089104 /nfs/dbraw/zinc/08/91/04/569089104.db2.gz YHBGDKDNDPARSR-UHFFFAOYSA-N 0 0 442.493 5.095 50 0 IKAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023303 569089222 /nfs/dbraw/zinc/08/92/22/569089222.db2.gz JMSIHRPPKBVGAU-QHCPKHFHSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023302 569089248 /nfs/dbraw/zinc/08/92/48/569089248.db2.gz JMSIHRPPKBVGAU-HSZRJFAPSA-N 0 0 428.580 5.650 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(Cl)cc1)CC(SCC(=O)NC1CCCC1)=N2 ZINC000065026564 569089795 /nfs/dbraw/zinc/08/97/95/569089795.db2.gz PJQFLGUFXASFSV-UHFFFAOYSA-N 0 0 440.012 6.303 50 0 IKAARN CCOc1c2cc(NC(=O)Nc3cccc(Br)c3)ccc2sc1C(=O)OC ZINC000065022926 569089811 /nfs/dbraw/zinc/08/98/11/569089811.db2.gz URKRIRRYGFSWCW-UHFFFAOYSA-N 0 0 449.326 5.493 50 0 IKAARN CCOc1c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2sc1C(=O)OC ZINC000065022940 569089851 /nfs/dbraw/zinc/08/98/51/569089851.db2.gz FTNFLQPURLRFQV-UHFFFAOYSA-N 0 0 438.427 5.749 50 0 IKAARN CC[C@H](C)NC(=O)CSC1=Nc2cc(C)c(C)cc2N=C(c2ccc(Cl)cc2)C1 ZINC000065026568 569089859 /nfs/dbraw/zinc/08/98/59/569089859.db2.gz LMZXYVJAVTUNLK-INIZCTEOSA-N 0 0 428.001 6.159 50 0 IKAARN CCCOc1c2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc2sc1C(=O)OC ZINC000065022970 569089894 /nfs/dbraw/zinc/08/98/94/569089894.db2.gz IGQWEJLULBPSCI-UHFFFAOYSA-N 0 0 448.928 5.783 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(F)cc1)CC(SCC(=O)NCc1ccccc1)=N2 ZINC000065026529 569089903 /nfs/dbraw/zinc/08/99/03/569089903.db2.gz XMKCZDSHUDYFNC-UHFFFAOYSA-N 0 0 445.563 6.047 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NCC3CCCCC3)no2)cc1 ZINC000065027138 569090129 /nfs/dbraw/zinc/09/01/29/569090129.db2.gz DNPGGSBGRLLMOM-UHFFFAOYSA-N 0 0 447.535 5.124 50 0 IKAARN O=C(Nc1ccc(OCc2cc(C(=O)NC3CCCCCC3)no2)cc1)c1cccs1 ZINC000065027222 569090304 /nfs/dbraw/zinc/09/03/04/569090304.db2.gz QKDHDCXHPSTQEY-UHFFFAOYSA-N 0 0 439.537 5.020 50 0 IKAARN Cc1ccc(NC(=O)c2nc3c4ccccc4oc3c(N3CCCCCC3)n2)c(Cl)c1 ZINC000065025069 569090353 /nfs/dbraw/zinc/09/03/53/569090353.db2.gz WJUOJBCWDDEMPN-UHFFFAOYSA-N 0 0 434.927 5.971 50 0 IKAARN CSc1ccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCC3)n2)cc1 ZINC000065025033 569090377 /nfs/dbraw/zinc/09/03/77/569090377.db2.gz WEDAQVPNYMZNAN-UHFFFAOYSA-N 0 0 432.549 5.018 50 0 IKAARN O=C(Nc1ccc(Cl)cc1F)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025082 569090390 /nfs/dbraw/zinc/09/03/90/569090390.db2.gz NMJNQRPBTVKIQZ-UHFFFAOYSA-N 0 0 438.890 5.801 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)c1 ZINC000065025578 569090581 /nfs/dbraw/zinc/09/05/81/569090581.db2.gz BMNFSMBVIWUYFC-SFHVURJKSA-N 0 0 430.552 5.388 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025796 569090759 /nfs/dbraw/zinc/09/07/59/569090759.db2.gz XXNAAWBYWIVUFA-UHFFFAOYSA-N 0 0 434.971 5.514 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2ccc(-c3cnc(NCc4ccccc4)nc3)cc2)cc1 ZINC000065025639 569090802 /nfs/dbraw/zinc/09/08/02/569090802.db2.gz ARFJSHMAHDDYLG-UHFFFAOYSA-N 0 0 436.559 5.809 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)Nc1ccc(Cl)cc1)=N2 ZINC000065026372 569090946 /nfs/dbraw/zinc/09/09/46/569090946.db2.gz NEUHLMGYLBNSGL-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN CCc1ccccc1NC(=O)CSC1=Nc2cc(C)c(C)cc2N=C(c2ccccc2)C1 ZINC000065026381 569090987 /nfs/dbraw/zinc/09/09/87/569090987.db2.gz HKLWMLSXJOWKCB-UHFFFAOYSA-N 0 0 441.600 6.792 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)NCc1ccc(F)cc1)=N2 ZINC000065026416 569091016 /nfs/dbraw/zinc/09/10/16/569091016.db2.gz GWJRHHJGYUUSGB-UHFFFAOYSA-N 0 0 445.563 6.047 50 0 IKAARN O=C(Nc1ccc(Br)cc1)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000065029757 569091030 /nfs/dbraw/zinc/09/10/30/569091030.db2.gz RLBTYAPZXVQTKR-UHFFFAOYSA-N 0 0 443.320 5.771 50 0 IKAARN COc1ccccc1NC(=O)CSC1=Nc2cc(C)c(C)cc2N=C(c2ccccc2)C1 ZINC000065026404 569091037 /nfs/dbraw/zinc/09/10/37/569091037.db2.gz XNUQFUDXUSLAMI-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN O=C(Nc1cc(F)c2nc(N3CCCCC3)ccc2c1)Nc1ccccc1C(F)(F)F ZINC000065029759 569091098 /nfs/dbraw/zinc/09/10/98/569091098.db2.gz JJNNZCIWFHGLHT-UHFFFAOYSA-N 0 0 432.421 6.027 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000065029769 569091120 /nfs/dbraw/zinc/09/11/20/569091120.db2.gz MVOPPHNEDXFLMZ-UHFFFAOYSA-N 0 0 432.421 6.027 50 0 IKAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)N(Cc1ccco1)C1CCCCC1 ZINC000065031504 569091511 /nfs/dbraw/zinc/09/15/11/569091511.db2.gz IZMAZHHUEZHPQC-UHFFFAOYSA-N 0 0 441.531 5.630 50 0 IKAARN COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc(C)cc3)cc21 ZINC000065033982 569091736 /nfs/dbraw/zinc/09/17/36/569091736.db2.gz IPNJAXKFENIYRQ-UHFFFAOYSA-N 0 0 440.499 5.323 50 0 IKAARN COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000065034027 569091860 /nfs/dbraw/zinc/09/18/60/569091860.db2.gz PARZWPJLRXDSKK-UHFFFAOYSA-N 0 0 446.890 5.359 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3cccc(OC)c3)cc21 ZINC000065033905 569091916 /nfs/dbraw/zinc/09/19/16/569091916.db2.gz MHQHUSJNNIZLDE-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000065033844 569091962 /nfs/dbraw/zinc/09/19/62/569091962.db2.gz SNTIJXVJXBGVPQ-UHFFFAOYSA-N 0 0 426.472 5.590 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3cc(Oc4ccc(OC)cc4)ncn3)cc2)cc1 ZINC000065036631 569092572 /nfs/dbraw/zinc/09/25/72/569092572.db2.gz UTINGEVVSVOEOP-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)ncn1 ZINC000065036646 569092649 /nfs/dbraw/zinc/09/26/49/569092649.db2.gz TXSQAPPNCVTVFS-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)ncn1 ZINC000065036644 569092672 /nfs/dbraw/zinc/09/26/72/569092672.db2.gz YVQYHGTWYXAKKJ-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN O=C(NCc1cccnc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065036866 569092737 /nfs/dbraw/zinc/09/27/37/569092737.db2.gz WYVUFXUKTAUOOP-UHFFFAOYSA-N 0 0 430.483 5.389 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)ncn2)cc1 ZINC000065036734 569092742 /nfs/dbraw/zinc/09/27/42/569092742.db2.gz AXSLAYUULCIBJK-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 ZINC000169759795 569094653 /nfs/dbraw/zinc/09/46/53/569094653.db2.gz RPITYKLUPROUNL-HXUWFJFHSA-N 0 0 432.307 5.031 50 0 IKAARN CC(C)OCCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054943 569094842 /nfs/dbraw/zinc/09/48/42/569094842.db2.gz OECJIXKTTQVMIZ-UHFFFAOYSA-N 0 0 439.531 5.609 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1 ZINC000065057823 569095305 /nfs/dbraw/zinc/09/53/05/569095305.db2.gz RDUGCQAWPNYVGF-UHFFFAOYSA-N 0 0 427.479 6.451 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)cn2)c1 ZINC000065057758 569095307 /nfs/dbraw/zinc/09/53/07/569095307.db2.gz KHULGDHAVJTIBD-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057841 569095333 /nfs/dbraw/zinc/09/53/33/569095333.db2.gz RQJQVGANZKXOMB-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)cn2)c1 ZINC000065057762 569095354 /nfs/dbraw/zinc/09/53/54/569095354.db2.gz SRNUNAOIYOWALG-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057828 569095378 /nfs/dbraw/zinc/09/53/78/569095378.db2.gz VCZROEXSOSAJDU-VWLOTQADSA-N 0 0 439.490 5.882 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)NCc4ccccc4Cl)cc3)cn2)c1 ZINC000065057790 569095385 /nfs/dbraw/zinc/09/53/85/569095385.db2.gz NYKURIXWSRWQCK-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 biogenic IKAARN O=C(Nc1cccc(Br)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058091 569095405 /nfs/dbraw/zinc/09/54/05/569095405.db2.gz DGFHTXYHBDVLAY-UHFFFAOYSA-N 0 0 446.304 5.951 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058033 569095417 /nfs/dbraw/zinc/09/54/17/569095417.db2.gz CXAMHXOPSCKBRD-GOSISDBHSA-N 0 0 427.479 5.874 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1 ZINC000065058108 569095419 /nfs/dbraw/zinc/09/54/19/569095419.db2.gz CDRWUYGANDTDRL-UHFFFAOYSA-N 0 0 427.529 5.588 50 0 IKAARN COc1cc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc(OC)c1 ZINC000065058098 569095433 /nfs/dbraw/zinc/09/54/33/569095433.db2.gz MNWIRWYRXQHCRB-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000065060294 569095995 /nfs/dbraw/zinc/09/59/95/569095995.db2.gz DTVOEHSEMXKBLQ-UHFFFAOYSA-N 0 0 426.922 5.111 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)CCc2c(-c3ccc(C)cc3)nc3ccccn32)c1 ZINC000065061122 569096303 /nfs/dbraw/zinc/09/63/03/569096303.db2.gz BZUKZURVZWBBKC-UHFFFAOYSA-N 0 0 427.504 5.058 50 0 IKAARN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC ZINC000006878255 569096325 /nfs/dbraw/zinc/09/63/25/569096325.db2.gz HAMOHDSTMWTWKX-UHFFFAOYSA-N 0 0 444.560 5.431 50 0 IKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000065061129 569096338 /nfs/dbraw/zinc/09/63/38/569096338.db2.gz JVZWXLWDMYUCGQ-UHFFFAOYSA-N 0 0 439.437 5.780 50 0 IKAARN CN1c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000169766613 569097128 /nfs/dbraw/zinc/09/71/28/569097128.db2.gz GZHJHQFCCRCJTF-XMMPIXPASA-N 0 0 427.504 5.133 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc(-c4noc(-c5ccccc5)n4)s3)C[C@@H]2C)c1 ZINC000065063001 569097722 /nfs/dbraw/zinc/09/77/22/569097722.db2.gz ZYYKEKGDKJOREN-SFHVURJKSA-N 0 0 444.560 5.124 50 0 IKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)c1 ZINC000065063169 569097750 /nfs/dbraw/zinc/09/77/50/569097750.db2.gz YWOKHBFZWINCEW-UHFFFAOYSA-N 0 0 429.907 6.458 50 0 IKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)n2)c1 ZINC000065063182 569097803 /nfs/dbraw/zinc/09/78/03/569097803.db2.gz UXMUAXAVNRMOLV-UHFFFAOYSA-N 0 0 443.934 5.870 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063297 569097826 /nfs/dbraw/zinc/09/78/26/569097826.db2.gz DZSPNZCLIFDBNA-UHFFFAOYSA-N 0 0 437.833 6.120 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063306 569097907 /nfs/dbraw/zinc/09/79/07/569097907.db2.gz YTWIXQWPKRASFJ-UHFFFAOYSA-N 0 0 447.897 5.701 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000065063323 569097942 /nfs/dbraw/zinc/09/79/42/569097942.db2.gz NEJTZQTVGOMIDB-UHFFFAOYSA-N 0 0 439.515 5.655 50 0 IKAARN COc1ccc([C@@H](NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c2ccccc2)cc1 ZINC000006880809 569098235 /nfs/dbraw/zinc/09/82/35/569098235.db2.gz IQTMFCORBKTZJE-SANMLTNESA-N 0 0 425.532 5.076 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)CCOc1ccccc1F ZINC000036391792 569098249 /nfs/dbraw/zinc/09/82/49/569098249.db2.gz VFRPHBNNGGTWPR-UHFFFAOYSA-N 0 0 446.931 5.252 50 0 IKAARN CCc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075112 569099430 /nfs/dbraw/zinc/09/94/30/569099430.db2.gz FTFYMRLILUISFV-SANMLTNESA-N 0 0 432.951 5.180 50 0 IKAARN Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1ccc(C(C)C)cc1 ZINC000065075013 569099461 /nfs/dbraw/zinc/09/94/61/569099461.db2.gz BSAUOQZIUMYCAU-MUUNZHRXSA-N 0 0 426.560 5.396 50 0 IKAARN Cc1ccc2nc(NC(=O)Cc3csc4nc(-c5ccc(C)c(C)c5)cn34)sc2c1 ZINC000065079705 569100946 /nfs/dbraw/zinc/10/09/46/569100946.db2.gz JRWFCBRVFVZNHE-UHFFFAOYSA-N 0 0 432.574 5.779 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)Nc4ccccc4C)C3)sc12 ZINC000065080856 569101171 /nfs/dbraw/zinc/10/11/71/569101171.db2.gz XKVHVJAXVDXIMW-IBGZPJMESA-N 0 0 445.592 5.262 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4c(C)cccc4C)C3)sc12 ZINC000065081267 569101368 /nfs/dbraw/zinc/10/13/68/569101368.db2.gz HWHFLWDACAERNC-LJQANCHMSA-N 0 0 445.592 5.262 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)sc12 ZINC000065081299 569101429 /nfs/dbraw/zinc/10/14/29/569101429.db2.gz CAYCSUSZOHZYTL-LJQANCHMSA-N 0 0 445.592 5.262 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)sc12 ZINC000065081301 569101464 /nfs/dbraw/zinc/10/14/64/569101464.db2.gz CAYCSUSZOHZYTL-IBGZPJMESA-N 0 0 445.592 5.262 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4C)C3)sc12 ZINC000065081358 569101482 /nfs/dbraw/zinc/10/14/82/569101482.db2.gz ZSLRYYSZTZVLFK-QGZVFWFLSA-N 0 0 449.555 5.093 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772745 569101737 /nfs/dbraw/zinc/10/17/37/569101737.db2.gz IZSUMCKKNYQYMY-RUZDIDTESA-N 0 0 442.534 5.195 50 0 IKAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000065084638 569102629 /nfs/dbraw/zinc/10/26/29/569102629.db2.gz KIPRYYYDFXVMPD-UHFFFAOYSA-N 0 0 434.845 5.647 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085518 569103183 /nfs/dbraw/zinc/10/31/83/569103183.db2.gz JRFQUEBDZVMXIO-GOSISDBHSA-N 0 0 431.966 5.042 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085526 569103233 /nfs/dbraw/zinc/10/32/33/569103233.db2.gz MOXHRMIZRWWDDF-UHFFFAOYSA-N 0 0 445.871 5.505 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)cc1 ZINC000065095704 569103526 /nfs/dbraw/zinc/10/35/26/569103526.db2.gz GORXLBWPUGOWLK-UHFFFAOYSA-N 0 0 431.927 5.036 50 0 IKAARN Cc1nnc2c(Oc3ccc(NC(=O)c4ccccc4Cl)cc3)nc3ccccc3n12 ZINC000065096362 569103563 /nfs/dbraw/zinc/10/35/63/569103563.db2.gz GQQGAQDAPQRKIR-UHFFFAOYSA-N 0 0 429.867 5.284 50 0 IKAARN Cc1nnc2c(Oc3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc3ccccc3n12 ZINC000065096364 569103578 /nfs/dbraw/zinc/10/35/78/569103578.db2.gz LUNFEICDHCYNFZ-UHFFFAOYSA-N 0 0 429.867 5.284 50 0 IKAARN O=C(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1C(F)(F)F ZINC000065096384 569103587 /nfs/dbraw/zinc/10/35/87/569103587.db2.gz PUOFHKNPIXPSLW-UHFFFAOYSA-N 0 0 449.392 5.341 50 0 IKAARN O=C(NCc1ccc([C@H](O)c2ccsc2)s1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000207966573 569104064 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O=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1ccccc1Br ZINC000065219070 569117353 /nfs/dbraw/zinc/11/73/53/569117353.db2.gz UWLUBKCOBIWCHU-UHFFFAOYSA-N 0 0 444.285 5.619 50 0 IKAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000065219206 569117370 /nfs/dbraw/zinc/11/73/70/569117370.db2.gz DTVULHTZSKXDLA-UHFFFAOYSA-N 0 0 441.896 5.388 50 0 IKAARN O=C(Nc1ccsc1-c1nc(-c2ccccc2)no1)c1ccccc1Br ZINC000065218809 569117401 /nfs/dbraw/zinc/11/74/01/569117401.db2.gz CSLNHKOWTIJDDF-UHFFFAOYSA-N 0 0 426.295 5.480 50 0 IKAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)oc2C)c1 ZINC000065232411 569119032 /nfs/dbraw/zinc/11/90/32/569119032.db2.gz GXBOYUXBCVBKQI-UHFFFAOYSA-N 0 0 440.425 5.474 50 0 IKAARN COc1ccc(NC(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)cc1OC ZINC000065240921 569120858 /nfs/dbraw/zinc/12/08/58/569120858.db2.gz OWKPUKZLIFZCLW-UHFFFAOYSA-N 0 0 436.537 5.319 50 0 IKAARN COc1ccc(NC(=O)Cn2cnc(-c3nc(-c4cccs4)cs3)c2)cc1Cl ZINC000065250503 569122190 /nfs/dbraw/zinc/12/21/90/569122190.db2.gz 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CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(-n2ccnc2C)c(Cl)c1 ZINC000036616336 569122782 /nfs/dbraw/zinc/12/27/82/569122782.db2.gz KFQWKZHSHMIGHG-UHFFFAOYSA-N 0 0 434.931 5.119 50 0 IKAARN Cc1c(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccc(Cl)c(Cl)c2)cnn1C ZINC000036617380 569123385 /nfs/dbraw/zinc/12/33/85/569123385.db2.gz JGMXYCRVJDHNHG-UHFFFAOYSA-N 0 0 427.213 5.924 50 0 IKAARN COc1ccc(C(=O)N[C@H](C)c2cccc(-n3cccc3)c2)cc1COc1cccc(C)c1 ZINC000036611238 569123520 /nfs/dbraw/zinc/12/35/20/569123520.db2.gz QMFJAXNDUBBJIG-OAQYLSRUSA-N 0 0 440.543 5.864 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)nc3sc4c(c32)n2c(nc4=O)-c3ccccc3C2=O)cc1 ZINC000036611874 569123588 /nfs/dbraw/zinc/12/35/88/569123588.db2.gz QBLCYWVCTQRRGM-UHFFFAOYSA-N 0 0 445.450 5.588 50 0 IKAARN O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000036612030 569123615 /nfs/dbraw/zinc/12/36/15/569123615.db2.gz PNEONXWSBNTUQP-UHFFFAOYSA-N 0 0 438.314 6.010 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC(c5ccc(F)cc5)=NO4)cc3)sc2c1 ZINC000036611876 569123619 /nfs/dbraw/zinc/12/36/19/569123619.db2.gz OXUCCEUBUZOZPA-NRFANRHFSA-N 0 0 431.492 5.543 50 0 IKAARN COc1ccc(-c2noc(C3(NC(=O)c4ccc(C(F)(F)F)cc4)CCCCC3)n2)cc1 ZINC000065257873 569124256 /nfs/dbraw/zinc/12/42/56/569124256.db2.gz LUJFBLCSDZGQLL-UHFFFAOYSA-N 0 0 445.441 5.353 50 0 IKAARN CCn1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c32)cn1 ZINC000036618483 569124378 /nfs/dbraw/zinc/12/43/78/569124378.db2.gz WMFTVGADBQDCMY-UHFFFAOYSA-N 0 0 427.439 5.165 50 0 IKAARN CCN1c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2Sc2ncccc2C1=O ZINC000065258481 569124459 /nfs/dbraw/zinc/12/44/59/569124459.db2.gz KXDSDOQMNOTMMI-UHFFFAOYSA-N 0 0 427.888 5.258 50 0 IKAARN CN1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2Sc2ncccc2C1=O ZINC000065258384 569124470 /nfs/dbraw/zinc/12/44/70/569124470.db2.gz KEOKBXSPQMFZFV-UHFFFAOYSA-N 0 0 429.423 5.094 50 0 IKAARN CCN1c2ccc(NC(=O)c3ccc(Cl)cc3OC)cc2Sc2ncccc2C1=O ZINC000065258486 569124514 /nfs/dbraw/zinc/12/45/14/569124514.db2.gz DOUIZKMRDDZZIX-UHFFFAOYSA-N 0 0 439.924 5.127 50 0 IKAARN CC(C)N1c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2Sc2ncccc2C1=O ZINC000065258583 569124535 /nfs/dbraw/zinc/12/45/35/569124535.db2.gz MTZGKTREPXIYII-UHFFFAOYSA-N 0 0 437.952 5.436 50 0 IKAARN CC(C)N1c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2Sc2ncccc2C1=O ZINC000065258573 569124554 /nfs/dbraw/zinc/12/45/54/569124554.db2.gz AUFIGTWQAYJYCS-UHFFFAOYSA-N 0 0 441.915 5.646 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc2c(c1)CCC2 ZINC000013117504 569125131 /nfs/dbraw/zinc/12/51/31/569125131.db2.gz GLBLHIUFDGSDAM-UHFFFAOYSA-N 0 0 439.968 5.309 50 0 IKAARN CCc1ccc(NC(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000013129066 569125289 /nfs/dbraw/zinc/12/52/89/569125289.db2.gz YIXPQFOPCLBCLE-UHFFFAOYSA-N 0 0 446.117 5.097 50 0 IKAARN Cc1cccc(NC(=O)CCCOC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000013131850 569125436 /nfs/dbraw/zinc/12/54/36/569125436.db2.gz OFFJYLVKRIZEGN-UHFFFAOYSA-N 0 0 442.490 5.925 50 0 IKAARN Cc1cccc2c(C)cc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)nc12 ZINC000013129522 569125438 /nfs/dbraw/zinc/12/54/38/569125438.db2.gz ATWUCBXJFJEBMO-UHFFFAOYSA-N 0 0 426.585 6.173 50 0 IKAARN O=c1[nH]c(CSc2nnc(Cc3cccs3)n2C2CCCCC2)nc2ccsc21 ZINC000013147703 569125661 /nfs/dbraw/zinc/12/56/61/569125661.db2.gz XGEWRJXCSXGUHD-UHFFFAOYSA-N 0 0 443.623 5.026 50 0 IKAARN CCc1cc(C(=O)Nc2ccc(C)cc2C)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621716 569126515 /nfs/dbraw/zinc/12/65/15/569126515.db2.gz IWECGQQIASVUFT-UHFFFAOYSA-N 0 0 428.511 5.869 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)Nc3ccc(C(C)C)cc3)sc12 ZINC000065294126 569131159 /nfs/dbraw/zinc/13/11/59/569131159.db2.gz HZXRBDJHJLIXSK-UHFFFAOYSA-N 0 0 433.581 5.297 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)N[C@H](C)c3ccc(C)c(C)c3)sc12 ZINC000065294146 569131180 /nfs/dbraw/zinc/13/11/80/569131180.db2.gz TXLYTRVCLMTYJV-GOSISDBHSA-N 0 0 447.608 5.029 50 0 IKAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)c12 ZINC000065301572 569132844 /nfs/dbraw/zinc/13/28/44/569132844.db2.gz DHIFJAHNUNHTBG-UHFFFAOYSA-N 0 0 434.609 5.739 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3ccccn3)o2)cc1 ZINC000065305592 569133237 /nfs/dbraw/zinc/13/32/37/569133237.db2.gz DORHFROZKORXCA-UHFFFAOYSA-N 0 0 426.520 5.559 50 0 IKAARN O=C(NCc1ccccn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065305593 569133249 /nfs/dbraw/zinc/13/32/49/569133249.db2.gz RHOVNTMDGXONCK-UHFFFAOYSA-N 0 0 444.510 5.779 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2nc(N(C)C)n(-c3ccc(F)cc3)c2s1 ZINC000065306720 569133442 /nfs/dbraw/zinc/13/34/42/569133442.db2.gz VTRQILMFEVGLIM-INIZCTEOSA-N 0 0 436.556 5.043 50 0 IKAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000065315593 569134282 /nfs/dbraw/zinc/13/42/82/569134282.db2.gz WAXKLRXGXKMOQZ-UHFFFAOYSA-N 0 0 436.924 5.491 50 0 IKAARN COc1ccc2c(c1)sc1nc(-c3cccc(OC)c3)c(NCCCOC(C)C)n21 ZINC000065319340 569134781 /nfs/dbraw/zinc/13/47/81/569134781.db2.gz NZHSVQZFQAPUIR-UHFFFAOYSA-N 0 0 425.554 5.460 50 0 IKAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(SC)cc3)c(NCCCOC)n21 ZINC000065319368 569134904 /nfs/dbraw/zinc/13/49/04/569134904.db2.gz DTXTWZIEGBSGTL-UHFFFAOYSA-N 0 0 427.595 5.785 50 0 IKAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(OC)c(OC)c3)c(NC(C)(C)C)n21 ZINC000065319392 569134929 /nfs/dbraw/zinc/13/49/29/569134929.db2.gz NDBNZLVYNNELNB-UHFFFAOYSA-N 0 0 425.554 5.842 50 0 IKAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000065314744 569135621 /nfs/dbraw/zinc/13/56/21/569135621.db2.gz OXKRGZSFVLJQNX-LJQANCHMSA-N 0 0 426.520 5.037 50 0 IKAARN CCN1c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2S1(=O)=O ZINC000065315073 569135721 /nfs/dbraw/zinc/13/57/21/569135721.db2.gz LADWMJNWMKPAEQ-UHFFFAOYSA-N 0 0 446.450 5.153 50 0 IKAARN O=C(NCCc1ccccc1)c1ccc(Nc2c(-c3ccccc3)nc3cnccn32)cc1 ZINC000065322556 569136744 /nfs/dbraw/zinc/13/67/44/569136744.db2.gz GTPZDCSXPDJGEI-UHFFFAOYSA-N 0 0 433.515 5.112 50 0 IKAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 ZINC000065322559 569136808 /nfs/dbraw/zinc/13/68/08/569136808.db2.gz JZOFWZGPGPELLT-UHFFFAOYSA-N 0 0 447.542 5.421 50 0 IKAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Oc3ccc(-c4ccccc4)cc3)sc21 ZINC000065330895 569137107 /nfs/dbraw/zinc/13/71/07/569137107.db2.gz ZKKXZOYPESSVLA-UHFFFAOYSA-N 0 0 444.943 6.841 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)ccc1OC(C)C ZINC000065331379 569137189 /nfs/dbraw/zinc/13/71/89/569137189.db2.gz KLDYWPKYJHWULN-MRXNPFEDSA-N 0 0 425.916 5.104 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)ccc1OCC(C)C ZINC000065331377 569137191 /nfs/dbraw/zinc/13/71/91/569137191.db2.gz GMYIBOCKAQSHSM-QGZVFWFLSA-N 0 0 439.943 5.352 50 0 IKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1OCC ZINC000065331368 569137197 /nfs/dbraw/zinc/13/71/97/569137197.db2.gz ZJCKWMPXMFEGMU-INIZCTEOSA-N 0 0 425.916 5.106 50 0 IKAARN Cc1cccc(NC(=O)OCCOc2ccc(Br)cc2Br)c1 ZINC000002893390 569137568 /nfs/dbraw/zinc/13/75/68/569137568.db2.gz KNTNSELSAZGFHG-UHFFFAOYSA-N 0 0 429.108 5.148 50 0 IKAARN O=C(COc1ccc(Br)cc1Br)N1CCC[C@@H]1c1cccs1 ZINC000036775947 569137710 /nfs/dbraw/zinc/13/77/10/569137710.db2.gz JVKQPPKYNZHXBA-CYBMUJFWSA-N 0 0 445.176 5.016 50 0 IKAARN COc1cc(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)c(OC)cc1Cl ZINC000036790572 569137943 /nfs/dbraw/zinc/13/79/43/569137943.db2.gz FTHUSVPACKFBRG-UHFFFAOYSA-N 0 0 434.970 5.251 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000036875588 569138556 /nfs/dbraw/zinc/13/85/56/569138556.db2.gz ZECISSQSIDJEFJ-UHFFFAOYSA-N 0 0 442.471 5.342 50 0 IKAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000007278529 569138747 /nfs/dbraw/zinc/13/87/47/569138747.db2.gz XAJMBCUSCXGVNI-UHFFFAOYSA-N 0 0 426.564 5.467 50 0 IKAARN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 ZINC000065564801 569139288 /nfs/dbraw/zinc/13/92/88/569139288.db2.gz BNEWFICJRQTWNC-ZDUSSCGKSA-N 0 0 434.483 5.506 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000065565726 569139407 /nfs/dbraw/zinc/13/94/07/569139407.db2.gz GLVVBQZETAJNKM-UHFFFAOYSA-N 0 0 442.924 5.376 50 0 IKAARN Cc1ccc(-c2nc3c4ccccc4n(Cc4cccc(C(F)(F)F)c4)c(=O)n3n2)cc1 ZINC000065534930 569139495 /nfs/dbraw/zinc/13/94/95/569139495.db2.gz FIVFIYQFASAPFA-UHFFFAOYSA-N 0 0 434.421 5.087 50 0 IKAARN CCn1c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)cc2nc(C)c1=O ZINC000065575365 569139726 /nfs/dbraw/zinc/13/97/26/569139726.db2.gz ZXXCBVIEMIIXBP-UHFFFAOYSA-N 0 0 438.940 5.062 50 0 IKAARN C[C@H](Nc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000065577395 569139805 /nfs/dbraw/zinc/13/98/05/569139805.db2.gz KYSCZITWDIWJOI-MBSDFSHPSA-N 0 0 431.561 5.014 50 0 IKAARN CN1C(=O)/C(=C/c2ccc(OCc3cscn3)cc2)c2cc(Br)ccc21 ZINC000065623655 569140417 /nfs/dbraw/zinc/14/04/17/569140417.db2.gz OALVHMDBSSYVEA-QGMBQPNBSA-N 0 0 427.323 5.002 50 0 IKAARN Cc1nc(-c2cccs2)c(CC(=O)N(C)Cc2ccccc2OC(F)(F)F)s1 ZINC000037162592 569140427 /nfs/dbraw/zinc/14/04/27/569140427.db2.gz BRDZEZGYJQTFCM-UHFFFAOYSA-N 0 0 426.485 5.280 50 0 IKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000170598519 569142456 /nfs/dbraw/zinc/14/24/56/569142456.db2.gz FHIDKLDKGSSMDH-UHFFFAOYSA-N 0 0 444.959 5.121 50 0 IKAARN CC(C)N(c1nc(Cl)c(C(=O)Nc2cccc(Br)c2)c(Cl)n1)C(C)C ZINC000170600400 569142782 /nfs/dbraw/zinc/14/27/82/569142782.db2.gz LWYFIQAPANXWLC-UHFFFAOYSA-N 0 0 446.176 5.421 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000037263796 569144021 /nfs/dbraw/zinc/14/40/21/569144021.db2.gz FVRNVHBXSXFSAW-FQEVSTJZSA-N 0 0 437.421 5.469 50 0 IKAARN Cc1ccc([C@@H](C)N(Cc2csc(CS(C)(=O)=O)n2)c2cc(C)ccc2F)cc1 ZINC000170607307 569144142 /nfs/dbraw/zinc/14/41/42/569144142.db2.gz SHKTUZWDPSVWDX-QGZVFWFLSA-N 0 0 432.586 5.211 50 0 IKAARN Cc1ccc([C@H](C)N(Cc2csc(CS(C)(=O)=O)n2)c2cc(C)ccc2F)cc1 ZINC000170607308 569144215 /nfs/dbraw/zinc/14/42/15/569144215.db2.gz SHKTUZWDPSVWDX-KRWDZBQOSA-N 0 0 432.586 5.211 50 0 IKAARN Fc1cc([C@H]2OCC[C@@H]2c2nc(-c3cccnc3Oc3ccccc3)no2)ccc1Cl ZINC000170606745 569144542 /nfs/dbraw/zinc/14/45/42/569144542.db2.gz PWYJLDKYYFUXPP-OXJNMPFZSA-N 0 0 437.858 5.962 50 0 IKAARN Cc1cccc(-c2nnc(SCc3cccc(C(N)=O)c3)n2-c2ccc(Cl)cc2)c1 ZINC000170609272 569144769 /nfs/dbraw/zinc/14/47/69/569144769.db2.gz PPCQNXWLGQCFMX-UHFFFAOYSA-N 0 0 434.952 5.287 50 0 IKAARN CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000037277289 569145222 /nfs/dbraw/zinc/14/52/22/569145222.db2.gz BTIKBQOBAVMZSB-UHFFFAOYSA-N 0 0 447.623 5.053 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1 ZINC000037278405 569145412 /nfs/dbraw/zinc/14/54/12/569145412.db2.gz NLLRTPZQWZDBMF-UHFFFAOYSA-N 0 0 433.483 5.208 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CCC(=O)NCc1ccco1 ZINC000037278320 569145433 /nfs/dbraw/zinc/14/54/33/569145433.db2.gz ZTZBPWSHPMPAMB-UHFFFAOYSA-N 0 0 445.519 5.078 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2C)c1CCC(=O)N(CC)CC ZINC000037278593 569145468 /nfs/dbraw/zinc/14/54/68/569145468.db2.gz VQJBBXVATVRIKR-UHFFFAOYSA-N 0 0 435.568 5.345 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000037279439 569145537 /nfs/dbraw/zinc/14/55/37/569145537.db2.gz YAMODCRXPMEWKC-UHFFFAOYSA-N 0 0 426.560 5.315 50 0 IKAARN COc1cc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC000037284931 569145892 /nfs/dbraw/zinc/14/58/92/569145892.db2.gz LSMIBRPQMWDKOY-CBGDNZLLSA-N 0 0 448.563 5.482 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)C[C@@H]1C ZINC000037285029 569145936 /nfs/dbraw/zinc/14/59/36/569145936.db2.gz UMWDQFCSFPKUQZ-SFHVURJKSA-N 0 0 449.530 5.021 50 0 IKAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612468 569145940 /nfs/dbraw/zinc/14/59/40/569145940.db2.gz NJKISKNHCYQWMP-SFHVURJKSA-N 0 0 428.319 5.638 50 0 IKAARN CCOc1cccc2cc([C@H]3CC(c4cccc(OC)c4)=NN3C(=O)CC)c(Cl)nc21 ZINC000170612432 569145944 /nfs/dbraw/zinc/14/59/44/569145944.db2.gz IZOHVDQNWZFFNN-HXUWFJFHSA-N 0 0 437.927 5.383 50 0 IKAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612470 569145946 /nfs/dbraw/zinc/14/59/46/569145946.db2.gz NJKISKNHCYQWMP-GOSISDBHSA-N 0 0 428.319 5.638 50 0 IKAARN Cc1nnc(Sc2ccc(NC(=O)c3cnc4onc(C(C)C)c4c3)c(C)c2)s1 ZINC000170613800 569146176 /nfs/dbraw/zinc/14/61/76/569146176.db2.gz YKLVGPHWGHXQQC-UHFFFAOYSA-N 0 0 425.539 5.218 50 0 IKAARN COc1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c1OC ZINC000170614226 569146297 /nfs/dbraw/zinc/14/62/97/569146297.db2.gz JCNZLYOKBCQQNI-UHFFFAOYSA-N 0 0 436.309 5.820 50 0 IKAARN Clc1cccc(N2CCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC2)c1 ZINC000170615704 569146580 /nfs/dbraw/zinc/14/65/80/569146580.db2.gz DWXTZOOWICRRLL-UHFFFAOYSA-N 0 0 435.358 5.930 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)Cc1csc(-c2ccccc2F)n1 ZINC000170621913 569147761 /nfs/dbraw/zinc/14/77/61/569147761.db2.gz GABRKWXMHAYNJY-LJAQVGFWSA-N 0 0 445.972 5.546 50 0 IKAARN O=C(CCn1ccc2cc(Br)ccc21)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000170622115 569147845 /nfs/dbraw/zinc/14/78/45/569147845.db2.gz FWEYYMJUHHKYCJ-FQEVSTJZSA-N 0 0 436.353 5.469 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000170620929 569147852 /nfs/dbraw/zinc/14/78/52/569147852.db2.gz FMZHLCDGPJECMI-XFAGBWLFSA-N 0 0 434.605 5.816 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000170620564 569147912 /nfs/dbraw/zinc/14/79/12/569147912.db2.gz COFSAWGBXFGUSZ-UHFFFAOYSA-N 0 0 449.338 5.893 50 0 IKAARN Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Oc3ccc(C(F)(F)F)cn3)cc1)CCC2 ZINC000170624873 569148143 /nfs/dbraw/zinc/14/81/43/569148143.db2.gz HIULEUYQWROVCX-GOSISDBHSA-N 0 0 447.482 5.807 50 0 IKAARN Cc1cnc(-c2cccc(NC(=O)N3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)c2)o1 ZINC000170623355 569148214 /nfs/dbraw/zinc/14/82/14/569148214.db2.gz SMQKNDPASAQHMN-FQEVSTJZSA-N 0 0 429.442 6.428 50 0 IKAARN COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(C)c(OC(F)F)c(C)c4)CC3)c2c1 ZINC000170623114 569148265 /nfs/dbraw/zinc/14/82/65/569148265.db2.gz KTQXVLICVXYILU-UHFFFAOYSA-N 0 0 428.479 5.415 50 0 IKAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1C=C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000037341435 569148975 /nfs/dbraw/zinc/14/89/75/569148975.db2.gz 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CCCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000010059216 569152175 /nfs/dbraw/zinc/15/21/75/569152175.db2.gz OIBVCGZNTJQPJU-PMERELPUSA-N 0 0 449.550 5.800 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010060254 569152407 /nfs/dbraw/zinc/15/24/07/569152407.db2.gz SSXJTCZLQCZTIG-OAQYLSRUSA-N 0 0 430.888 5.099 50 0 IKAARN CC(=O)N[C@@H](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000010080374 569152599 /nfs/dbraw/zinc/15/25/99/569152599.db2.gz FZXOIGYRBRGNLW-UGKGYDQZSA-N 0 0 430.932 5.014 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c1C ZINC000010219990 569152852 /nfs/dbraw/zinc/15/28/52/569152852.db2.gz PPQYKMXLIQSJMS-UHFFFAOYSA-N 0 0 429.314 5.129 50 0 IKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Br)cc3)c(Cl)c12 ZINC000010220414 569152921 /nfs/dbraw/zinc/15/29/21/569152921.db2.gz CYBITZPTYWIZRC-UHFFFAOYSA-N 0 0 441.716 5.397 50 0 IKAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1cc(C)ccc1C ZINC000010218510 569153490 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CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4OC)=NN32)cc1 ZINC000013303749 569154877 /nfs/dbraw/zinc/15/48/77/569154877.db2.gz GDKBUQQZRLFZJM-JYFHCDHNSA-N 0 0 430.504 5.345 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2[C@H](CCC[C@H]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013303626 569154899 /nfs/dbraw/zinc/15/48/99/569154899.db2.gz OXLKVVAPTOWHKX-CVJWPJSTSA-N 0 0 443.978 6.944 50 0 IKAARN CC(C)(C)c1ccc(CN2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000013322801 569155046 /nfs/dbraw/zinc/15/50/46/569155046.db2.gz ZCDHQKUJRCNXPA-UHFFFAOYSA-N 0 0 430.390 5.096 50 0 IKAARN Fc1cccc(Cl)c1Cn1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)n1 ZINC000013330600 569155109 /nfs/dbraw/zinc/15/51/09/569155109.db2.gz AIXFEJZRBKNRQK-UHFFFAOYSA-N 0 0 429.735 5.840 50 0 IKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)cc1Cl ZINC000013330431 569155111 /nfs/dbraw/zinc/15/51/11/569155111.db2.gz HMTFCIMBFNJYJJ-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN S=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)Nc1cc(Cl)ccc1Cl ZINC000013330372 569155143 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6.730 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000250250601 569156577 /nfs/dbraw/zinc/15/65/77/569156577.db2.gz XEUFMLYRJPTBAP-BEVDRBHNSA-N 0 0 434.433 5.257 50 0 IKAARN CCCCc1ccc(-c2nc(NC(=O)Nc3ccccc3Br)sc2C)cc1 ZINC000013746492 569156877 /nfs/dbraw/zinc/15/68/77/569156877.db2.gz QOBPUAKTGWXLCX-UHFFFAOYSA-N 0 0 444.398 6.868 50 0 IKAARN COc1cccc(Cn2nc(C)c(NC(=S)Nc3cccc(C(F)(F)F)c3)c2C)c1 ZINC000013755170 569156904 /nfs/dbraw/zinc/15/69/04/569156904.db2.gz GPNNBAOTMPPZCE-UHFFFAOYSA-N 0 0 434.487 5.385 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000013745404 569156906 /nfs/dbraw/zinc/15/69/06/569156906.db2.gz QOJQVBLIXJXFJZ-UHFFFAOYSA-N 0 0 443.172 5.106 50 0 IKAARN COC(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C(=O)OC)c1C ZINC000013953933 569157427 /nfs/dbraw/zinc/15/74/27/569157427.db2.gz FLILQGKQDCXIQA-UHFFFAOYSA-N 0 0 437.926 5.059 50 0 IKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000013953821 569157460 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ZINC000089662107 569160919 /nfs/dbraw/zinc/16/09/19/569160919.db2.gz GRHRAEJAGOWHKT-WOJBJXKFSA-N 0 0 445.991 5.749 50 0 IKAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000089669315 569161072 /nfs/dbraw/zinc/16/10/72/569161072.db2.gz KNKVAJXABOLFAT-HSZRJFAPSA-N 0 0 426.545 5.607 50 0 IKAARN COc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000089669230 569161120 /nfs/dbraw/zinc/16/11/20/569161120.db2.gz PXAYKNQUACBMBS-JOCHJYFZSA-N 0 0 445.906 5.790 50 0 IKAARN Cc1ccccc1C1(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)CCOCC1 ZINC000089689216 569161345 /nfs/dbraw/zinc/16/13/45/569161345.db2.gz CNABCQLLGCRZJV-UHFFFAOYSA-N 0 0 444.556 5.664 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000016758729 569161374 /nfs/dbraw/zinc/16/13/74/569161374.db2.gz MBZXLXOYLLQWOG-RCZVLFRGSA-N 0 0 436.458 5.614 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1c(F)cccc1F ZINC000016834799 569162453 /nfs/dbraw/zinc/16/24/53/569162453.db2.gz CZJCEWHNZUMBQJ-HNNXBMFYSA-N 0 0 435.499 6.141 50 0 IKAARN CCN1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837165 569162570 /nfs/dbraw/zinc/16/25/70/569162570.db2.gz SOXBEMIGEKDADY-UHFFFAOYSA-N 0 0 433.602 5.964 50 0 IKAARN O=C(Nc1cccc(NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)c1)c1cccs1 ZINC000089780544 569162757 /nfs/dbraw/zinc/16/27/57/569162757.db2.gz JEXZKHFEBVTCHI-IBGZPJMESA-N 0 0 441.940 5.339 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 ZINC000016841076 569163236 /nfs/dbraw/zinc/16/32/36/569163236.db2.gz CPGDPSDGYJWRSU-UHFFFAOYSA-N 0 0 433.327 5.152 50 0 IKAARN CCc1ccc(-n2nnc(C(=O)OCc3nc(-c4cccc(Cl)c4)oc3C)c2C)cc1 ZINC000016841253 569163242 /nfs/dbraw/zinc/16/32/42/569163242.db2.gz WLMDDJSTIPSWNF-UHFFFAOYSA-N 0 0 436.899 5.112 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)c(C)o2)cc1OC ZINC000016841315 569163243 /nfs/dbraw/zinc/16/32/43/569163243.db2.gz GIFYBWWQQUTKNS-UHFFFAOYSA-N 0 0 449.532 5.512 50 0 IKAARN O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(Br)cc1F 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428.945 5.251 50 0 IKAARN C[C@@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1c(F)cccc1F ZINC000016868570 569165158 /nfs/dbraw/zinc/16/51/58/569165158.db2.gz LIMNHNKKSJZPNH-LLVKDONJSA-N 0 0 439.336 5.428 50 0 IKAARN O=C(CCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830396 569165641 /nfs/dbraw/zinc/16/56/41/569165641.db2.gz XKUHECQSSFVMEQ-NRFANRHFSA-N 0 0 429.545 5.099 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccccc1Sc1ccccc1 ZINC000089847899 569165875 /nfs/dbraw/zinc/16/58/75/569165875.db2.gz ADQRKSONERFZBI-UHFFFAOYSA-N 0 0 426.950 6.363 50 0 IKAARN CN(c1nnc(-c2ccc(NC(=O)COc3ccc(F)cc3)cc2)s1)c1ccccc1 ZINC000016915525 569165992 /nfs/dbraw/zinc/16/59/92/569165992.db2.gz MVEXRUMYPSXGHT-UHFFFAOYSA-N 0 0 434.496 5.130 50 0 IKAARN CN(c1nnc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)s1)c1ccccc1 ZINC000016915529 569166101 /nfs/dbraw/zinc/16/61/01/569166101.db2.gz SJYFKQBZKBKBNF-UHFFFAOYSA-N 0 0 426.501 5.972 50 0 IKAARN FC(F)(F)c1cnc(NCCNc2cc(C(F)(F)F)nc3ccccc32)c(Cl)c1 ZINC000089866643 569166407 /nfs/dbraw/zinc/16/64/07/569166407.db2.gz AOOCKAFNZQIYQQ-UHFFFAOYSA-N 0 0 434.771 5.845 50 0 IKAARN COCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1c[nH]c2ccccc21 ZINC000016942941 569166790 /nfs/dbraw/zinc/16/67/90/569166790.db2.gz RSIDBQKTIHPLJF-UHFFFAOYSA-N 0 0 433.364 5.672 50 0 IKAARN C[C@@H](NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 ZINC000089904641 569167054 /nfs/dbraw/zinc/16/70/54/569167054.db2.gz YPXTYXXBGCLIID-ZMZPIMSZSA-N 0 0 434.439 5.132 50 0 IKAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)cc3c2C1 ZINC000089930066 569167869 /nfs/dbraw/zinc/16/78/69/569167869.db2.gz CPASXRHKHCJPGU-OAHLLOKOSA-N 0 0 426.545 5.921 50 0 IKAARN CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000089930428 569167910 /nfs/dbraw/zinc/16/79/10/569167910.db2.gz FWLZPCWRFFSJOW-QFIPXVFZSA-N 0 0 430.895 5.483 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)cc1OC ZINC000016960075 569168079 /nfs/dbraw/zinc/16/80/79/569168079.db2.gz CDHAUSAHLLWARC-UHFFFAOYSA-N 0 0 434.970 5.602 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3cccc(F)c3)c2c1 ZINC000016977451 569168929 /nfs/dbraw/zinc/16/89/29/569168929.db2.gz NJPXQPVWXIBPTB-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(OC)cc32)Cc2ccco2)cc1 ZINC000016977511 569168934 /nfs/dbraw/zinc/16/89/34/569168934.db2.gz KJJLWOOPVFWLOF-UHFFFAOYSA-N 0 0 449.576 5.528 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccco1 ZINC000016977369 569168952 /nfs/dbraw/zinc/16/89/52/569168952.db2.gz ZCOSKMMWJOHYCB-UHFFFAOYSA-N 0 0 437.540 5.659 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(F)cc1 ZINC000016977189 569168962 /nfs/dbraw/zinc/16/89/62/569168962.db2.gz YVUIGHSWFCQFLF-UHFFFAOYSA-N 0 0 441.959 6.304 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)Nc3ccccc3)c2c1 ZINC000016977546 569168971 /nfs/dbraw/zinc/16/89/71/569168971.db2.gz UAIZWURGDDLIRZ-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2ccccn2)c1 ZINC000016977649 569169217 /nfs/dbraw/zinc/16/92/17/569169217.db2.gz AQEKJIGHKDWCPY-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccc(C(F)(F)F)cc2)nn1 ZINC000016992401 569169511 /nfs/dbraw/zinc/16/95/11/569169511.db2.gz DUDHLUUIQFUVAS-UHFFFAOYSA-N 0 0 449.548 6.948 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2ccccc2c(=O)n1C(C)C ZINC000016991563 569169586 /nfs/dbraw/zinc/16/95/86/569169586.db2.gz NDSSKSDBZMZWQC-UHFFFAOYSA-N 0 0 425.941 5.887 50 0 IKAARN COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc4ccccc43)s2)cc1OC ZINC000016991948 569169730 /nfs/dbraw/zinc/16/97/30/569169730.db2.gz FKTWHANIWZBNGC-UHFFFAOYSA-N 0 0 432.545 5.261 50 0 IKAARN Cc1c2ccc(NC(=O)c3ccc(Br)cc3)cc2oc1C(=O)c1ccccc1 ZINC000016993269 569169787 /nfs/dbraw/zinc/16/97/87/569169787.db2.gz NHOILTRKLGOIBG-UHFFFAOYSA-N 0 0 434.289 5.987 50 0 IKAARN Cc1c2cc(NC(=O)c3ccc(Br)cc3)ccc2oc1C(=O)c1ccccc1 ZINC000016993238 569169832 /nfs/dbraw/zinc/16/98/32/569169832.db2.gz DRENJSATYZVVOQ-UHFFFAOYSA-N 0 0 434.289 5.987 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cc(C)cc(C)c3)c2c1 ZINC000017010786 569170287 /nfs/dbraw/zinc/17/02/87/569170287.db2.gz MEZFLGFWNPOSJT-UHFFFAOYSA-N 0 0 447.604 6.136 50 0 IKAARN Cc1cc(C)cc(-n2c(S[C@@H](C)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)c1 ZINC000017010968 569170366 /nfs/dbraw/zinc/17/03/66/569170366.db2.gz DSFXIJXNUHLWSM-SFHVURJKSA-N 0 0 425.557 6.337 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012066 569170466 /nfs/dbraw/zinc/17/04/66/569170466.db2.gz CZZWNHPPZLGQGU-UHFFFAOYSA-N 0 0 434.468 5.637 50 0 IKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000017013075 569170577 /nfs/dbraw/zinc/17/05/77/569170577.db2.gz QKRIMOQHMCYLHJ-UHFFFAOYSA-N 0 0 437.547 6.234 50 0 IKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000017013432 569170584 /nfs/dbraw/zinc/17/05/84/569170584.db2.gz UPMNBDPCDGPHJX-UHFFFAOYSA-N 0 0 445.526 6.678 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000017013347 569170748 /nfs/dbraw/zinc/17/07/48/569170748.db2.gz YHTMSHIGZWBLLU-UHFFFAOYSA-N 0 0 443.482 5.672 50 0 IKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000017013310 569170750 /nfs/dbraw/zinc/17/07/50/569170750.db2.gz TZGDKHNGVJIWGI-UHFFFAOYSA-N 0 0 441.457 5.400 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000017013117 569170789 /nfs/dbraw/zinc/17/07/89/569170789.db2.gz YBPVFNRRAXSGQS-UHFFFAOYSA-N 0 0 436.947 5.816 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cc(C)ccc1C ZINC000017026430 569171085 /nfs/dbraw/zinc/17/10/85/569171085.db2.gz WRJKRHJPWRIUIP-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)c1 ZINC000017026405 569171101 /nfs/dbraw/zinc/17/11/01/569171101.db2.gz ZUJTWYWDOFKBFH-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1 ZINC000017042579 569171613 /nfs/dbraw/zinc/17/16/13/569171613.db2.gz IKXYLFZGNHYBRX-UHFFFAOYSA-N 0 0 443.595 5.097 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cccc(F)c4)cc3)n2)cc1 ZINC000017042808 569171617 /nfs/dbraw/zinc/17/16/17/569171617.db2.gz AVSKRKBCUBXGKE-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN Cc1cc(Oc2cc(N3CCN(C(=O)CCC4CCCC4)[C@@H](C)C3)ncn2)ccc1Cl ZINC000037356124 569171821 /nfs/dbraw/zinc/17/18/21/569171821.db2.gz UFZVMYWKLZDEAN-SFHVURJKSA-N 0 0 442.991 5.238 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1 ZINC000017050996 569171918 /nfs/dbraw/zinc/17/19/18/569171918.db2.gz OSHHLWVMPUMALW-UHFFFAOYSA-N 0 0 445.548 5.381 50 0 IKAARN Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3cccs3)n2)cc1 ZINC000017051877 569171923 /nfs/dbraw/zinc/17/19/23/569171923.db2.gz QIQULFOWRUCCKF-UHFFFAOYSA-N 0 0 446.557 5.157 50 0 IKAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCC(c2nc3ccccc3o2)CC1 ZINC000014775525 569172124 /nfs/dbraw/zinc/17/21/24/569172124.db2.gz XFADZTFCFAWGJK-UHFFFAOYSA-N 0 0 444.510 5.051 50 0 IKAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000017098661 569173933 /nfs/dbraw/zinc/17/39/33/569173933.db2.gz SVMGMJYTQRWJAJ-UHFFFAOYSA-N 0 0 433.883 5.801 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2ccccn2)cc1 ZINC000017121895 569174250 /nfs/dbraw/zinc/17/42/50/569174250.db2.gz MMLHOFKBTNHZGL-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccccc1C ZINC000017136001 569174498 /nfs/dbraw/zinc/17/44/98/569174498.db2.gz LZBMUFZDHVALMA-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN CCN(CC)c1ccc2cc(-c3csc(Nc4cccc(Cl)c4)n3)c(=O)oc2c1 ZINC000008916837 569174593 /nfs/dbraw/zinc/17/45/93/569174593.db2.gz OFQXHCXTFCVZBZ-UHFFFAOYSA-N 0 0 425.941 6.160 50 0 IKAARN COc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000008916810 569174611 /nfs/dbraw/zinc/17/46/11/569174611.db2.gz NUOQWMJBQZKGPV-GDLZYMKVSA-N 0 0 433.555 6.663 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000008984244 569174743 /nfs/dbraw/zinc/17/47/43/569174743.db2.gz YDCRLAQQWBEVNA-SANMLTNESA-N 0 0 433.935 5.471 50 0 IKAARN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000009057160 569175002 /nfs/dbraw/zinc/17/50/02/569175002.db2.gz ZXXKJQKVFZRRAS-UHFFFAOYSA-N 0 0 430.548 6.278 50 0 IKAARN O=C(CSc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000017155973 569175094 /nfs/dbraw/zinc/17/50/94/569175094.db2.gz DETLXLFINGWVQT-UHFFFAOYSA-N 0 0 425.863 5.334 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(Br)cc1 ZINC000017169919 569175435 /nfs/dbraw/zinc/17/54/35/569175435.db2.gz NVEYIWDYJXUHBJ-UHFFFAOYSA-N 0 0 441.350 5.356 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccccc1Br ZINC000017170899 569175523 /nfs/dbraw/zinc/17/55/23/569175523.db2.gz HJIULWUZMNDKDE-UHFFFAOYSA-N 0 0 441.350 5.356 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)Nc1ccccc1 ZINC000017190628 569175898 /nfs/dbraw/zinc/17/58/98/569175898.db2.gz VHKKYOKKRDJCDA-UHFFFAOYSA-N 0 0 443.507 5.286 50 0 IKAARN O=C(Nc1ccc2sccc2c1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000017200543 569175994 /nfs/dbraw/zinc/17/59/94/569175994.db2.gz ANYVJPKYEDNRHF-UHFFFAOYSA-N 0 0 448.569 5.295 50 0 IKAARN Nc1c2c(nn1-c1ccccc1)nc(NCc1ccccc1)nc2-c1cccc(Cl)c1 ZINC000037358374 569176214 /nfs/dbraw/zinc/17/62/14/569176214.db2.gz CDIXBBZAVALVMN-UHFFFAOYSA-N 0 0 426.911 5.330 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C ZINC000000937241 569176251 /nfs/dbraw/zinc/17/62/51/569176251.db2.gz DASQDYZGHMKZON-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000001076677 569176683 /nfs/dbraw/zinc/17/66/83/569176683.db2.gz YLLLQOIGQYCSOE-UHFFFAOYSA-N 0 0 428.891 5.507 50 0 IKAARN CCN(CC)C(=S)Sc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1 ZINC000001111736 569176704 /nfs/dbraw/zinc/17/67/04/569176704.db2.gz SORHBTUNKWEWHQ-UHFFFAOYSA-N 0 0 446.552 5.356 50 0 IKAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCc1cccc(F)c1)nc2-c1cccs1 ZINC000037358779 569176724 /nfs/dbraw/zinc/17/67/24/569176724.db2.gz BMBKWJRJISXUHP-UHFFFAOYSA-N 0 0 434.475 5.017 50 0 IKAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000002070438 569176973 /nfs/dbraw/zinc/17/69/73/569176973.db2.gz RXFXJONDMYPUEG-UFFVCSGVSA-N 0 0 425.818 5.542 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 ZINC000001788394 569177070 /nfs/dbraw/zinc/17/70/70/569177070.db2.gz DGKDLVBLZYGFLC-UHFFFAOYSA-N 0 0 432.520 5.308 50 0 IKAARN COC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001807485 569177091 /nfs/dbraw/zinc/17/70/91/569177091.db2.gz HMCXTYOVKDKLCQ-UHFFFAOYSA-N 0 0 436.382 6.047 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1Cl ZINC000001839853 569177099 /nfs/dbraw/zinc/17/70/99/569177099.db2.gz JVNSQMALHBAOKI-UHFFFAOYSA-N 0 0 449.117 5.445 50 0 IKAARN CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001807408 569177139 /nfs/dbraw/zinc/17/71/39/569177139.db2.gz HJQXJHZVMNAJHK-UHFFFAOYSA-N 0 0 433.254 5.663 50 0 IKAARN CCCCc1cc(=O)oc2cc(OCC(=O)C3C4CC5CC(C4)CC3C5)c(Cl)cc12 ZINC000002826376 569177453 /nfs/dbraw/zinc/17/74/53/569177453.db2.gz UNVGGKXWPAAAFS-UHFFFAOYSA-N 0 0 428.956 5.809 50 0 IKAARN COc1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1 ZINC000002877102 569177693 /nfs/dbraw/zinc/17/76/93/569177693.db2.gz OQAXEGFQKRQJHL-UHFFFAOYSA-N 0 0 426.847 5.667 50 0 IKAARN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OCc1ccccc1F ZINC000002085802 569178411 /nfs/dbraw/zinc/17/84/11/569178411.db2.gz CASBWRSGBFCQBU-UDWIEESQSA-N 0 0 437.854 5.411 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000002085476 569178429 /nfs/dbraw/zinc/17/84/29/569178429.db2.gz QFNYEOQLUGYYSF-LJQANCHMSA-N 0 0 444.944 5.302 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000006601512 569178527 /nfs/dbraw/zinc/17/85/27/569178527.db2.gz LGKFCFJNPBUVHO-UKILVPOCSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000006601764 569178528 /nfs/dbraw/zinc/17/85/28/569178528.db2.gz LGKFCFJNPBUVHO-ZCYQVOJMSA-N 0 0 434.923 5.990 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000006924984 569178530 /nfs/dbraw/zinc/17/85/30/569178530.db2.gz ZFVAGRNVSJGZSJ-JTHBVZDNSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000006924974 569178547 /nfs/dbraw/zinc/17/85/47/569178547.db2.gz NAYSTQYIMRWPFE-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000002090345 569178674 /nfs/dbraw/zinc/17/86/74/569178674.db2.gz AQZIRXULMNTPHH-KOEQRZSOSA-N 0 0 444.531 5.140 50 0 biogenic IKAARN CC(C)CCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002092639 569178796 /nfs/dbraw/zinc/17/87/96/569178796.db2.gz ZFLYROOQBJFYQF-IGKIAQTJSA-N 0 0 443.591 5.022 50 0 biogenic IKAARN CCc1cc2c(cc1OCc1ccc(C)cc1)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000002094262 569179072 /nfs/dbraw/zinc/17/90/72/569179072.db2.gz NYOQWKQYOFJRMR-UHFFFAOYSA-N 0 0 442.511 5.989 50 0 biogenic IKAARN CCCCc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000002095604 569179184 /nfs/dbraw/zinc/17/91/84/569179184.db2.gz FYDKFZZAVDWAOS-UHFFFAOYSA-N 0 0 431.532 6.378 50 0 biogenic IKAARN CC(C)=CCC/C(C)=C/COc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1 ZINC000002097016 569179282 /nfs/dbraw/zinc/17/92/82/569179282.db2.gz UOQTYHOLIYZSPV-HMMYKYKNSA-N 0 0 425.528 7.080 50 0 biogenic IKAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=O)N32)cc1 ZINC000002097980 569179460 /nfs/dbraw/zinc/17/94/60/569179460.db2.gz JUKJYYXSCZQVDF-AHWVRZQESA-N 0 0 441.575 5.902 50 0 biogenic IKAARN C=Cc1ccc(COc2ccc3c(c2)oc(C)c(Oc2ccc(C(=O)OC)cc2)c3=O)cc1 ZINC000002098906 569179572 /nfs/dbraw/zinc/17/95/72/569179572.db2.gz QZALDLPMRCUMQO-UHFFFAOYSA-N 0 0 442.467 5.902 50 0 biogenic IKAARN CCCCCCc1cc(-c2onc(C)c2-c2ccc(Br)cc2)c(O)cc1OC ZINC000002102645 569179881 /nfs/dbraw/zinc/17/98/81/569179881.db2.gz GFDBKEWAFPTTIS-UHFFFAOYSA-N 0 0 444.369 6.917 50 0 biogenic IKAARN Cc1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1 ZINC000001259848 569180145 /nfs/dbraw/zinc/18/01/45/569180145.db2.gz NIJGGFREFSSROZ-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000000796368 569180344 /nfs/dbraw/zinc/18/03/44/569180344.db2.gz KHNCHEZVEPSUAY-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000000901298 569180490 /nfs/dbraw/zinc/18/04/90/569180490.db2.gz LKOROUZPJCWFPJ-LSDHHAIUSA-N 0 0 443.494 5.621 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000001476583 569180588 /nfs/dbraw/zinc/18/05/88/569180588.db2.gz NQHKEPFEXUWDRM-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1C ZINC000002079409 569180591 /nfs/dbraw/zinc/18/05/91/569180591.db2.gz NEUXAFLWKIIKHY-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)cc2Cl)cc1 ZINC000001748703 569180623 /nfs/dbraw/zinc/18/06/23/569180623.db2.gz ZRSHSWQIFMQSSZ-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000002261720 569180656 /nfs/dbraw/zinc/18/06/56/569180656.db2.gz IGBNSBHCEWRFST-UHFFFAOYSA-N 0 0 426.463 6.005 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c2c1 ZINC000002079439 569180671 /nfs/dbraw/zinc/18/06/71/569180671.db2.gz FVPRIMZNGXVKDC-QGZVFWFLSA-N 0 0 429.903 6.292 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc32)cc1 ZINC000002079488 569180673 /nfs/dbraw/zinc/18/06/73/569180673.db2.gz KXGYHGNZEVPTHF-KRWDZBQOSA-N 0 0 429.903 6.292 50 0 IKAARN CC[C@@H](OC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc21)C(=O)c1ccccc1 ZINC000002079483 569180690 /nfs/dbraw/zinc/18/06/90/569180690.db2.gz MNKLMDLWBXANIZ-AREMUKBSSA-N 0 0 439.511 6.037 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000002388840 569180800 /nfs/dbraw/zinc/18/08/00/569180800.db2.gz VSDYXBIPCKANDF-UHFFFAOYSA-N 0 0 442.393 5.132 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)cc1 ZINC000002578199 569180865 /nfs/dbraw/zinc/18/08/65/569180865.db2.gz NWRIJCHEIRHIJC-UHFFFAOYSA-N 0 0 443.930 6.466 50 0 IKAARN Clc1ccc(CSc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 ZINC000002508574 569180871 /nfs/dbraw/zinc/18/08/71/569180871.db2.gz VVDSSBUGPMUMBK-UHFFFAOYSA-N 0 0 433.838 7.083 50 0 IKAARN Cc1ccc(-n2c(SCc3c(F)cccc3Cl)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002508584 569180883 /nfs/dbraw/zinc/18/08/83/569180883.db2.gz PJWSGTYHCOELCL-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2sc(C)c(C)c2c1=O ZINC000002447003 569180896 /nfs/dbraw/zinc/18/08/96/569180896.db2.gz OSQMUGNLGHSDEL-UHFFFAOYSA-N 0 0 442.393 5.132 50 0 IKAARN O=C([C@@H](Oc1cccc(Br)c1)c1ccccc1)N1CCSc2ncccc21 ZINC000170640384 569181062 /nfs/dbraw/zinc/18/10/62/569181062.db2.gz QXOMCOPHTSLPDA-IBGZPJMESA-N 0 0 441.350 5.103 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccccc3Cl)ccc2oc1-c1ccc(OC)cc1 ZINC000002107272 569181170 /nfs/dbraw/zinc/18/11/70/569181170.db2.gz KMSBFDRJOPRYFD-UHFFFAOYSA-N 0 0 436.891 6.518 50 0 IKAARN Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000002107254 569181222 /nfs/dbraw/zinc/18/12/22/569181222.db2.gz YSLZSPNENUIPQO-UHFFFAOYSA-N 0 0 435.273 5.750 50 0 IKAARN CCOC(=O)c1c2cc(OCC=C(C)C)c(Br)cc2oc1-c1ccccc1 ZINC000002106849 569181223 /nfs/dbraw/zinc/18/12/23/569181223.db2.gz ZIIOUMIVSGXABO-UHFFFAOYSA-N 0 0 429.310 6.384 50 0 biogenic IKAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1ccccc1)nc2-c1ccc(F)cc1F ZINC000037361068 569181554 /nfs/dbraw/zinc/18/15/54/569181554.db2.gz GEOKDYSTZRTWCU-UHFFFAOYSA-N 0 0 442.473 5.014 50 0 IKAARN Nc1c2c(nn1-c1ccccc1Cl)nc(NC1CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037360961 569181588 /nfs/dbraw/zinc/18/15/88/569181588.db2.gz QGJJOHDVCQPNRY-UHFFFAOYSA-N 0 0 429.286 5.085 50 0 IKAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCc1cccc(F)c1)nc2-c1cccc(F)c1 ZINC000037361178 569181609 /nfs/dbraw/zinc/18/16/09/569181609.db2.gz OMWMOOJQDLOQKS-UHFFFAOYSA-N 0 0 446.436 5.094 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000138429220 569181833 /nfs/dbraw/zinc/18/18/33/569181833.db2.gz JSOJSWOILFOYBD-PWRODBHTSA-N 0 0 439.298 5.045 50 0 IKAARN CCc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccc(OC)cc5)c4cc3C2)cc1 ZINC000002112904 569182194 /nfs/dbraw/zinc/18/21/94/569182194.db2.gz UJMXAAIDDZDNOF-UHFFFAOYSA-N 0 0 427.500 5.696 50 0 biogenic IKAARN O=C(CC(CC(=O)c1nc2ccccc2s1)c1ccccn1)c1nc2ccccc2s1 ZINC000002916103 569182199 /nfs/dbraw/zinc/18/21/99/569182199.db2.gz LANVPKUQZCJOCH-UHFFFAOYSA-N 0 0 443.553 5.931 50 0 IKAARN Cc1cc(C)c(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c(C)c1 ZINC000002114047 569182235 /nfs/dbraw/zinc/18/22/35/569182235.db2.gz UDJDZTHPUVBMRC-UHFFFAOYSA-N 0 0 425.528 5.974 50 0 biogenic IKAARN Cc1cc(C)cc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c1 ZINC000002114428 569182312 /nfs/dbraw/zinc/18/23/12/569182312.db2.gz URGRSJDPVIPDGP-UHFFFAOYSA-N 0 0 425.528 5.974 50 0 biogenic IKAARN CCCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)cc(CCC)c4cc3C2)cc1 ZINC000002116563 569182456 /nfs/dbraw/zinc/18/24/56/569182456.db2.gz AJITUMZSQXXZQP-UHFFFAOYSA-N 0 0 435.520 5.367 50 0 biogenic IKAARN O=C(NCCc1ccc(F)cc1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000002117717 569182561 /nfs/dbraw/zinc/18/25/61/569182561.db2.gz IKCNTQDUJRRIMV-UHFFFAOYSA-N 0 0 427.454 5.634 50 0 biogenic IKAARN CSC1=N[C@@H](SCC(=O)N[C@@H](C)Cc2ccccc2)c2c3c(sc2N1)CCCC3 ZINC000002117776 569182600 /nfs/dbraw/zinc/18/26/00/569182600.db2.gz CICZKHRHCRHJSN-XOBRGWDASA-N 0 0 445.679 5.060 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)c4cccc(OC)c4)ccc23)cc1 ZINC000002121345 569183569 /nfs/dbraw/zinc/18/35/69/569183569.db2.gz PHUAYAOCHITLNI-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 biogenic IKAARN CCOc1ccccc1-c1nc(C(=O)NCCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000002122642 569183582 /nfs/dbraw/zinc/18/35/82/569183582.db2.gz HTVHIDINRZSGQK-UHFFFAOYSA-N 0 0 435.527 5.754 50 0 biogenic IKAARN CCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)c(Cl)cc12 ZINC000002123085 569183762 /nfs/dbraw/zinc/18/37/62/569183762.db2.gz CWZZIEMWTBAATH-UHFFFAOYSA-N 0 0 439.895 5.079 50 0 biogenic IKAARN Cc1cc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)ccc1Br ZINC000002125389 569183893 /nfs/dbraw/zinc/18/38/93/569183893.db2.gz ONHMXQCCTKEJHW-UHFFFAOYSA-N 0 0 448.316 5.887 50 0 biogenic IKAARN O=C(NCc1ccc(F)cc1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002127651 569184193 /nfs/dbraw/zinc/18/41/93/569184193.db2.gz QVESEVQLITUPES-UHFFFAOYSA-N 0 0 439.446 5.181 50 0 biogenic IKAARN Cc1nc(-c2ccccc2NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cs1 ZINC000208010450 569184684 /nfs/dbraw/zinc/18/46/84/569184684.db2.gz SQFRSVGOLUWUAQ-UHFFFAOYSA-N 0 0 448.548 6.195 50 0 IKAARN O=S(=O)(Cc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208006891 569184693 /nfs/dbraw/zinc/18/46/93/569184693.db2.gz LVTUWYLERXWOKL-UHFFFAOYSA-N 0 0 440.525 5.030 50 0 IKAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(F)cc3)N2C(=S)N1C1CCCCC1 ZINC000002132905 569185068 /nfs/dbraw/zinc/18/50/68/569185068.db2.gz BMOWXGLDTLRSMW-GMAHTHKFSA-N 0 0 433.552 5.083 50 0 biogenic IKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)c(OC)c1 ZINC000002134471 569185155 /nfs/dbraw/zinc/18/51/55/569185155.db2.gz UGYXBAYSSOBRDN-NRFANRHFSA-N 0 0 437.536 5.266 50 0 biogenic IKAARN O=C(Oc1ccc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1)c1ccccc1 ZINC000002137492 569185165 /nfs/dbraw/zinc/18/51/65/569185165.db2.gz HBEBYPNFSIGDBT-UDWIEESQSA-N 0 0 438.266 5.557 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OC(=O)C(C)C ZINC000002137561 569185237 /nfs/dbraw/zinc/18/52/37/569185237.db2.gz VEMDIKZVZHOCBV-RQZCQDPDSA-N 0 0 448.302 5.298 50 0 IKAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NC1CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376744 569185619 /nfs/dbraw/zinc/18/56/19/569185619.db2.gz DIBYBVWMRAAAFK-UHFFFAOYSA-N 0 0 429.286 5.085 50 0 IKAARN Nc1c2c(nn1Cc1ccccc1)nc(NC1CCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376243 569185658 /nfs/dbraw/zinc/18/56/58/569185658.db2.gz SZXFKUODKBBPKG-UHFFFAOYSA-N 0 0 436.922 5.271 50 0 IKAARN CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2Cl)nnc1-c1ccccn1 ZINC000002542416 569185850 /nfs/dbraw/zinc/18/58/50/569185850.db2.gz HGIRVWYRGNMGMM-UHFFFAOYSA-N 0 0 427.744 5.295 50 0 IKAARN O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1 ZINC000002993744 569185948 /nfs/dbraw/zinc/18/59/48/569185948.db2.gz GEKASGKQHQTLLD-NRFANRHFSA-N 0 0 433.766 5.743 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2c1cccc2-c1ccccn1 ZINC000025783520 569186275 /nfs/dbraw/zinc/18/62/75/569186275.db2.gz SKPBPEPJLYXSCO-UHFFFAOYSA-N 0 0 449.304 5.172 50 0 IKAARN O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000002141087 569186625 /nfs/dbraw/zinc/18/66/25/569186625.db2.gz GJWYMNXZCMUMNM-UHFFFAOYSA-N 0 0 449.601 6.730 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)cc1C ZINC000252488786 569186674 /nfs/dbraw/zinc/18/66/74/569186674.db2.gz IYZORFYYPIQWGD-UHFFFAOYSA-N 0 0 446.576 5.320 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)C[C@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000002147135 569187001 /nfs/dbraw/zinc/18/70/01/569187001.db2.gz QFXXLWVIGVAWMX-RUZDIDTESA-N 0 0 429.988 5.661 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3c(C)ccc4ccccc43)c(C)c2oc1=O ZINC000002149130 569187103 /nfs/dbraw/zinc/18/71/03/569187103.db2.gz UTCQVFYHCQRZRH-UHFFFAOYSA-N 0 0 444.527 5.946 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]c5ccccc45)c(C)c3cc2c1C ZINC000002148820 569187109 /nfs/dbraw/zinc/18/71/09/569187109.db2.gz XGWYGGGPJICHJH-UHFFFAOYSA-N 0 0 442.515 5.237 50 0 biogenic IKAARN CCCc1cc2c(cc1OCc1ccc(F)cc1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000002148608 569187110 /nfs/dbraw/zinc/18/71/10/569187110.db2.gz KHGROIRHVKWIIT-UHFFFAOYSA-N 0 0 446.474 5.902 50 0 biogenic IKAARN COc1ccc2c(c1)c(C(=O)COc1ccc3c4c(c(=O)oc3c1C)CCCC4)c(C)n2C ZINC000002148433 569187112 /nfs/dbraw/zinc/18/71/12/569187112.db2.gz GSAUQRAKQVSJLV-UHFFFAOYSA-N 0 0 445.515 5.051 50 0 biogenic IKAARN CCc1cc2c(cc1OCc1ccccc1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000002152089 569187300 /nfs/dbraw/zinc/18/73/00/569187300.db2.gz FMMYWMSPJSOUIJ-UHFFFAOYSA-N 0 0 442.511 6.071 50 0 biogenic IKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(Cl)c(Cl)c1)CO2 ZINC000002159515 569187684 /nfs/dbraw/zinc/18/76/84/569187684.db2.gz YVIYSGPIBNFPQG-UHFFFAOYSA-N 0 0 438.310 6.432 50 0 biogenic IKAARN COC(=O)CN1C(c2ccccc2Cl)=Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 ZINC000252507465 569188314 /nfs/dbraw/zinc/18/83/14/569188314.db2.gz WMMZPBFOTDRVEB-QFIPXVFZSA-N 0 0 425.315 5.650 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000252511222 569188705 /nfs/dbraw/zinc/18/87/05/569188705.db2.gz FFCKGSXQSWBTLQ-VHKYSDTDSA-N 0 0 438.959 5.326 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000252511221 569188760 /nfs/dbraw/zinc/18/87/60/569188760.db2.gz FFCKGSXQSWBTLQ-KPOBHBOGSA-N 0 0 438.959 5.326 50 0 IKAARN C/C(=C/c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)c(C)c1 ZINC000208306984 569189488 /nfs/dbraw/zinc/18/94/88/569189488.db2.gz NTQQJQGKHYHDMR-WZDMNQRASA-N 0 0 438.571 5.772 50 0 IKAARN COc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)c1 ZINC000252527503 569189570 /nfs/dbraw/zinc/18/95/70/569189570.db2.gz CSKBYUXOEMXMPF-UHFFFAOYSA-N 0 0 439.540 5.682 50 0 IKAARN COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1 ZINC000252536679 569189855 /nfs/dbraw/zinc/18/98/55/569189855.db2.gz JDGVKQZSXASLAY-JOCHJYFZSA-N 0 0 431.540 5.143 50 0 IKAARN O=C1[C@@H](C(OCc2ccccc2)=C(F)F)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000002184345 569190435 /nfs/dbraw/zinc/19/04/35/569190435.db2.gz BJPNNCFFOKZBGS-RTWAWAEBSA-N 0 0 425.862 6.369 50 0 IKAARN CC1(C)CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccc(OC(F)(F)F)cc2)S1 ZINC000002192050 569190488 /nfs/dbraw/zinc/19/04/88/569190488.db2.gz MKUNSEJIGYILSJ-UHFFFAOYSA-N 0 0 443.878 6.159 50 0 IKAARN C[C@@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccc(OC(F)(F)F)cc2)S1 ZINC000002192043 569190529 /nfs/dbraw/zinc/19/05/29/569190529.db2.gz GJQDMLUSGIVMRQ-LLVKDONJSA-N 0 0 429.851 5.768 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)Nc1cccc(Cl)c1 ZINC000002194040 569190723 /nfs/dbraw/zinc/19/07/23/569190723.db2.gz BLTJKRFORXFNGC-UHFFFAOYSA-N 0 0 445.784 6.435 50 0 IKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000002195135 569191312 /nfs/dbraw/zinc/19/13/12/569191312.db2.gz LJMVVMBRMFFJHA-UHFFFAOYSA-N 0 0 442.906 6.149 50 0 IKAARN Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)c(C)c1 ZINC000002196719 569191410 /nfs/dbraw/zinc/19/14/10/569191410.db2.gz NZYAJRFYJAWUAG-UHFFFAOYSA-N 0 0 434.564 7.060 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2C)cc1 ZINC000002200142 569191542 /nfs/dbraw/zinc/19/15/42/569191542.db2.gz KKUKXXKZCMKCNT-UHFFFAOYSA-N 0 0 428.532 5.548 50 0 IKAARN COc1ccccc1C(=O)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000002199698 569191649 /nfs/dbraw/zinc/19/16/49/569191649.db2.gz APIFJKHXDWRJPJ-UHFFFAOYSA-N 0 0 429.453 5.298 50 0 IKAARN CC(C)CNC(=O)CCN(Cc1ccco1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037382523 569191839 /nfs/dbraw/zinc/19/18/39/569191839.db2.gz DUFOOVDACZMZOF-UHFFFAOYSA-N 0 0 446.526 5.198 50 0 IKAARN CC[C@H](C)N(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccc(C)cc1 ZINC000037381354 569191856 /nfs/dbraw/zinc/19/18/56/569191856.db2.gz SJPHPNKMTPPTEL-INIZCTEOSA-N 0 0 442.357 5.291 50 0 IKAARN CC[C@H](C)NC(=O)CCN(Cc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037382586 569191845 /nfs/dbraw/zinc/19/18/45/569191845.db2.gz OBWMILGVXSWJIM-IBGZPJMESA-N 0 0 428.536 5.201 50 0 IKAARN CC(C)(C)CC(=O)NCCNc1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000037382230 569191896 /nfs/dbraw/zinc/19/18/96/569191896.db2.gz FLZKNLMKNPZBDK-UHFFFAOYSA-N 0 0 441.373 5.024 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccco1 ZINC000037381803 569191916 /nfs/dbraw/zinc/19/19/16/569191916.db2.gz ZXRZHFFXYRLWRI-UHFFFAOYSA-N 0 0 435.446 5.356 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccco3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037381180 569191936 /nfs/dbraw/zinc/19/19/36/569191936.db2.gz ZBOPFEIEVFUNTE-NRFANRHFSA-N 0 0 432.520 5.179 50 0 IKAARN CCN(CC)C(=O)/C=C1/Sc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000037382736 569191952 /nfs/dbraw/zinc/19/19/52/569191952.db2.gz PSIKAYAKNRSVNM-CPNJWEJPSA-N 0 0 434.483 5.097 50 0 IKAARN CC[C@H](C)NC(=O)CCN(Cc1ccco1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037383512 569192020 /nfs/dbraw/zinc/19/20/20/569192020.db2.gz SPOUTTATZRZHMR-KRWDZBQOSA-N 0 0 434.565 5.263 50 0 IKAARN O=C(c1ccc(F)cc1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC000037383900 569192043 /nfs/dbraw/zinc/19/20/43/569192043.db2.gz IIXKTFMQZARNFD-UHFFFAOYSA-N 0 0 446.913 5.052 50 0 IKAARN CC(C)CN(CCC(=O)NC1CC1)c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000037384472 569192072 /nfs/dbraw/zinc/19/20/72/569192072.db2.gz AKEIDSPNSUGVAJ-UHFFFAOYSA-N 0 0 440.950 5.220 50 0 IKAARN COc1ccc(NC(=O)CCN(c2nc(C3CC3)nc3cc(Cl)ccc32)C(C)C)cc1 ZINC000037384564 569192102 /nfs/dbraw/zinc/19/21/02/569192102.db2.gz GUUKBQFXXLLYEF-UHFFFAOYSA-N 0 0 438.959 5.413 50 0 IKAARN CC[C@@H](C)NC(=O)CCN(Cc1ccco1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037384038 569192112 /nfs/dbraw/zinc/19/21/12/569192112.db2.gz OXPLHDQTMVSVCX-GOSISDBHSA-N 0 0 446.526 5.340 50 0 IKAARN O=C(CCN(CCc1ccccc1)c1nc(C2CC2)nc2ccccc21)Nc1ccccc1 ZINC000037384205 569192124 /nfs/dbraw/zinc/19/21/24/569192124.db2.gz SIERURBSQWVGDM-UHFFFAOYSA-N 0 0 436.559 5.585 50 0 IKAARN CC(C)CNC(=O)CCN(Cc1ccco1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384518 569192138 /nfs/dbraw/zinc/19/21/38/569192138.db2.gz LCDINJPVDNTJJE-UHFFFAOYSA-N 0 0 434.565 5.120 50 0 IKAARN CC(C)CNC(=O)CCN(Cc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000037384680 569192289 /nfs/dbraw/zinc/19/22/89/569192289.db2.gz AEPHRDSIPMPVJL-UHFFFAOYSA-N 0 0 436.987 5.330 50 0 IKAARN O=C(Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2ccco2)cc1)c1ccco1 ZINC000037385200 569192415 /nfs/dbraw/zinc/19/24/15/569192415.db2.gz KHYYQKCBEYMQDB-UHFFFAOYSA-N 0 0 444.422 5.091 50 0 IKAARN C[C@H](CCOc1c(F)c(F)nc(F)c1F)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002200981 569192541 /nfs/dbraw/zinc/19/25/41/569192541.db2.gz VINXLJKMEPXVHT-GFCCVEGCSA-N 0 0 427.482 6.511 50 0 IKAARN COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 ZINC000002203050 569192670 /nfs/dbraw/zinc/19/26/70/569192670.db2.gz WVGYYDLYWZHKLD-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN CCOC(=O)c1c2cc(OC(C)=O)ccc2n(-c2ccccc2)c1CSc1ccccc1 ZINC000002202638 569192673 /nfs/dbraw/zinc/19/26/73/569192673.db2.gz AKWCLNKZKSGCAV-UHFFFAOYSA-N 0 0 445.540 6.025 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccco3)nc2c(C)c1 ZINC000002203852 569192872 /nfs/dbraw/zinc/19/28/72/569192872.db2.gz BCGZQJMDWYKIGK-HXUWFJFHSA-N 0 0 428.469 5.362 50 0 IKAARN CCC[C@@H](C(=O)NCCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037396936 569192934 /nfs/dbraw/zinc/19/29/34/569192934.db2.gz DWPZWWCZNKYVHS-DEOSSOPVSA-N 0 0 446.982 5.376 50 0 IKAARN O=C(Cn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NCc1ccc(F)cc1 ZINC000037397027 569193042 /nfs/dbraw/zinc/19/30/42/569193042.db2.gz NLKRLWASXFEWTE-UHFFFAOYSA-N 0 0 442.321 5.389 50 0 IKAARN O=C(CCn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)NCc1ccccn1 ZINC000037397242 569193071 /nfs/dbraw/zinc/19/30/71/569193071.db2.gz XBMQWTJBFRSQEF-UHFFFAOYSA-N 0 0 439.346 5.035 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C(=O)NC(C)(C)C)c3ccccc3)c2cc1C ZINC000037397181 569193175 /nfs/dbraw/zinc/19/31/75/569193175.db2.gz FPFVAWUQTVPMRQ-SANMLTNESA-N 0 0 443.566 5.887 50 0 IKAARN CCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037397247 569193177 /nfs/dbraw/zinc/19/31/77/569193177.db2.gz OEYCZZQCTFNXID-UHFFFAOYSA-N 0 0 446.482 5.123 50 0 IKAARN COc1ccc(NC(=O)c2c(C)c3c(n2Cc2ccc(F)c(F)c2)CCCC3)cc1OC ZINC000037396997 569193212 /nfs/dbraw/zinc/19/32/12/569193212.db2.gz GWZZVYWLMFDACQ-UHFFFAOYSA-N 0 0 440.490 5.271 50 0 IKAARN CCC[C@H](C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397353 569193261 /nfs/dbraw/zinc/19/32/61/569193261.db2.gz IEYKFNZTZDEZJI-OAQYLSRUSA-N 0 0 446.378 5.134 50 0 IKAARN CCC[C@H](C(=O)NCC(C)C)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397347 569193276 /nfs/dbraw/zinc/19/32/76/569193276.db2.gz NTLUEOFEFBDFBL-OAQYLSRUSA-N 0 0 432.395 6.047 50 0 IKAARN CCC[C@@H](C(=O)N1CCCC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397358 569193322 /nfs/dbraw/zinc/19/33/22/569193322.db2.gz LFLUPUNPXNCPFL-NRFANRHFSA-N 0 0 430.379 5.898 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(=O)oc2c1 ZINC000002206710 569193534 /nfs/dbraw/zinc/19/35/34/569193534.db2.gz POTPUWNWTSKXOG-UHFFFAOYSA-N 0 0 445.371 6.737 50 0 IKAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002207605 569193596 /nfs/dbraw/zinc/19/35/96/569193596.db2.gz DZPBDMXGLOBEDH-HVNZXBJASA-N 0 0 436.536 6.592 50 0 IKAARN CCCN(C)C(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000037397717 569193612 /nfs/dbraw/zinc/19/36/12/569193612.db2.gz DXRKYHPWMURLRB-UHFFFAOYSA-N 0 0 446.576 5.610 50 0 IKAARN CCC[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037397655 569193614 /nfs/dbraw/zinc/19/36/14/569193614.db2.gz ZUKSUADYUDNOJE-HSZRJFAPSA-N 0 0 441.531 5.013 50 0 IKAARN O=C(Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)Nc1ccccc1F ZINC000037397575 569193659 /nfs/dbraw/zinc/19/36/59/569193659.db2.gz ZXMNZYWNSQLVNN-UHFFFAOYSA-N 0 0 428.294 5.712 50 0 IKAARN CCC[C@H](C(=O)N1CCOCC1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037397639 569193688 /nfs/dbraw/zinc/19/36/88/569193688.db2.gz WNJOLTXZMVQIEU-JOCHJYFZSA-N 0 0 439.987 5.097 50 0 IKAARN Cc1cc2nc(Cc3cccc(Cl)c3)n([C@@H](C)C(=O)N(C)Cc3ccccc3)c2cc1C ZINC000037398201 569193741 /nfs/dbraw/zinc/19/37/41/569193741.db2.gz FCHRVAADHYGPRQ-FQEVSTJZSA-N 0 0 445.994 6.117 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000037398253 569193749 /nfs/dbraw/zinc/19/37/49/569193749.db2.gz DBTJRPHATTWORC-UHFFFAOYSA-N 0 0 445.566 5.948 50 0 IKAARN Cc1nnc(SCc2ccc(C(=O)Nc3cccc(C)c3)cc2)n1-c1ccccc1C ZINC000037397817 569193808 /nfs/dbraw/zinc/19/38/08/569193808.db2.gz PMHRCKMISZXNOM-UHFFFAOYSA-N 0 0 428.561 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398291 569193812 /nfs/dbraw/zinc/19/38/12/569193812.db2.gz QMDRXUDUSAUADE-FQEVSTJZSA-N 0 0 431.467 5.085 50 0 IKAARN CC[C@@H](C(=O)NCc1ccncc1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398586 569193880 /nfs/dbraw/zinc/19/38/80/569193880.db2.gz QVHYIFXLKLYUJJ-QHCPKHFHSA-N 0 0 446.982 5.560 50 0 IKAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Cl)cc2)n1)CCCC3 ZINC000002209512 569194073 /nfs/dbraw/zinc/19/40/73/569194073.db2.gz UNLMHJWIOXOXGR-UHFFFAOYSA-N 0 0 436.027 5.676 50 0 IKAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2cccc(Cl)c2)CC1 ZINC000037398779 569194158 /nfs/dbraw/zinc/19/41/58/569194158.db2.gz CIVKENFKQRVRPB-UHFFFAOYSA-N 0 0 448.998 5.009 50 0 IKAARN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n(CC(=O)NCc3ccco3)c2cc1C ZINC000037398870 569194202 /nfs/dbraw/zinc/19/42/02/569194202.db2.gz QQOGZFMWFKONQW-UHFFFAOYSA-N 0 0 442.346 5.460 50 0 IKAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000037400710 569195050 /nfs/dbraw/zinc/19/50/50/569195050.db2.gz HXHVOMCPJPBRMA-SFHVURJKSA-N 0 0 447.597 5.026 50 0 IKAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)CC(C)(C)C ZINC000037400962 569195067 /nfs/dbraw/zinc/19/50/67/569195067.db2.gz ULXZBODTUVFSIJ-GOSISDBHSA-N 0 0 447.597 5.026 50 0 IKAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1 ZINC000037426318 569195824 /nfs/dbraw/zinc/19/58/24/569195824.db2.gz YXJYDZGNHQOTRT-HNNXBMFYSA-N 0 0 440.956 5.031 50 0 IKAARN O=C(C1CCC1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439160 569196394 /nfs/dbraw/zinc/19/63/94/569196394.db2.gz XOGGVSIMXIOKEV-SFHVURJKSA-N 0 0 435.326 5.454 50 0 IKAARN O=C(C1CCCC1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439636 569196460 /nfs/dbraw/zinc/19/64/60/569196460.db2.gz FQVQOPONFSJZTG-LJQANCHMSA-N 0 0 449.353 5.845 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440125 569196461 /nfs/dbraw/zinc/19/64/61/569196461.db2.gz WNTRCHCGMTZMKZ-LJQANCHMSA-N 0 0 431.363 5.705 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037439698 569196477 /nfs/dbraw/zinc/19/64/77/569196477.db2.gz 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O=C(c1cccs1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440208 569196618 /nfs/dbraw/zinc/19/66/18/569196618.db2.gz TZAFJFSYCRWUOF-LJQANCHMSA-N 0 0 428.916 5.376 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C(=O)c3cccc(F)c3)C2)cc1 ZINC000037440663 569196643 /nfs/dbraw/zinc/19/66/43/569196643.db2.gz ZTQQXLGJOLFXKV-QFIPXVFZSA-N 0 0 436.914 5.623 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3ccccc3F)C2)cc1 ZINC000037440575 569196670 /nfs/dbraw/zinc/19/66/70/569196670.db2.gz VOMYAAFQBWKJLE-NRFANRHFSA-N 0 0 436.914 5.623 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441129 569196726 /nfs/dbraw/zinc/19/67/26/569196726.db2.gz IYOYWONZUNLPDV-IBGZPJMESA-N 0 0 442.412 5.079 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cccc(F)c3)C2)cc1 ZINC000037441005 569196768 /nfs/dbraw/zinc/19/67/68/569196768.db2.gz QCPAHWMTDLOOPE-QHCPKHFHSA-N 0 0 436.914 5.623 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C2CCC2)C1 ZINC000037441387 569196810 /nfs/dbraw/zinc/19/68/10/569196810.db2.gz RXRXOCAKDMJCSH-HXUWFJFHSA-N 0 0 430.470 5.336 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000037441684 569196847 /nfs/dbraw/zinc/19/68/47/569196847.db2.gz ZGMXSAGCPQGVIX-OAQYLSRUSA-N 0 0 447.510 5.370 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C2CCC2)C1 ZINC000037441385 569196872 /nfs/dbraw/zinc/19/68/72/569196872.db2.gz RXRXOCAKDMJCSH-FQEVSTJZSA-N 0 0 430.470 5.336 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C2CCCC2)C1 ZINC000037441390 569196881 /nfs/dbraw/zinc/19/68/81/569196881.db2.gz CAFQBIIPPLKWRZ-NRFANRHFSA-N 0 0 444.497 5.726 50 0 IKAARN CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037441730 569196907 /nfs/dbraw/zinc/19/69/07/569196907.db2.gz YZHBUFILDYNHDU-INIZCTEOSA-N 0 0 439.865 5.084 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441962 569196916 /nfs/dbraw/zinc/19/69/16/569196916.db2.gz 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C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000037442831 569197011 /nfs/dbraw/zinc/19/70/11/569197011.db2.gz PUIMAPHAOQJZBM-BCFTUSIQSA-N 0 0 449.620 5.058 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2Cl)C(=O)c2ccccc2F)C1 ZINC000037442395 569197013 /nfs/dbraw/zinc/19/70/13/569197013.db2.gz MMGSVRYVMKHQPY-IBGZPJMESA-N 0 0 436.914 5.623 50 0 IKAARN CCNC(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037442282 569197057 /nfs/dbraw/zinc/19/70/57/569197057.db2.gz WYKVKUHSWGYKGY-HNNXBMFYSA-N 0 0 440.758 5.372 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2Cl)C(=O)c2ccccc2F)C1 ZINC000037442398 569197084 /nfs/dbraw/zinc/19/70/84/569197084.db2.gz MMGSVRYVMKHQPY-LJQANCHMSA-N 0 0 436.914 5.623 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000037443591 569197175 /nfs/dbraw/zinc/19/71/75/569197175.db2.gz LBGCOKFBMJJJMU-XHAXBJHOSA-N 0 0 447.579 5.211 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000037452554 569197257 /nfs/dbraw/zinc/19/72/57/569197257.db2.gz ZUUPHZTYDWRDTE-LPMFXHHGSA-N 0 0 443.927 5.325 50 0 IKAARN FC(F)(F)c1cc(Oc2ccc(Cl)cc2)nc(SCc2cccc(Cl)c2)n1 ZINC000037509528 569197860 /nfs/dbraw/zinc/19/78/60/569197860.db2.gz XXFWVBLIBLKVNF-UHFFFAOYSA-N 0 0 431.266 6.887 50 0 IKAARN Fc1ccc(CSc2nc(Oc3ccccc3Cl)cc(C(F)(F)F)n2)cc1F ZINC000037509879 569197950 /nfs/dbraw/zinc/19/79/50/569197950.db2.gz IAHRXBMCSRLFIS-UHFFFAOYSA-N 0 0 432.801 6.512 50 0 IKAARN CC(C)(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cccc(Cl)c2)n1 ZINC000037509726 569197962 /nfs/dbraw/zinc/19/79/62/569197962.db2.gz ZNAJTTLPKZDVRQ-UHFFFAOYSA-N 0 0 428.941 6.241 50 0 IKAARN C[C@@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000037522201 569198268 /nfs/dbraw/zinc/19/82/68/569198268.db2.gz ACFBLYPWHWIKJC-QGZVFWFLSA-N 0 0 435.911 5.402 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000037523129 569198388 /nfs/dbraw/zinc/19/83/88/569198388.db2.gz GDGXNOJBBZEIQF-QHCPKHFHSA-N 0 0 430.470 5.519 50 0 IKAARN COc1cc(OC)c([C@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)cc1OC ZINC000037523581 569198597 /nfs/dbraw/zinc/19/85/97/569198597.db2.gz RDNMVJVSMCJOPC-MHZLTWQESA-N 0 0 434.580 5.633 50 0 IKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc2sccc2n1Cc1cccc(Cl)c1 ZINC000037525828 569199082 /nfs/dbraw/zinc/19/90/82/569199082.db2.gz BIMDZHNOHWXBDU-UHFFFAOYSA-N 0 0 448.897 6.353 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3ccccc3F)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037525940 569199092 /nfs/dbraw/zinc/19/90/92/569199092.db2.gz ZPVWDTLFIAQXGA-UHFFFAOYSA-N 0 0 434.580 6.426 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C)c3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037526111 569199111 /nfs/dbraw/zinc/19/91/11/569199111.db2.gz YZTZZQSVSUUMQD-UHFFFAOYSA-N 0 0 430.617 6.595 50 0 IKAARN Cc1cc2c(cc(C(=O)N3CCN(Cc4ccccc4)CC3)n2Cc2ccccc2F)s1 ZINC000037526108 569199119 /nfs/dbraw/zinc/19/91/19/569199119.db2.gz RQIKQEHDGNASSQ-UHFFFAOYSA-N 0 0 447.579 5.157 50 0 IKAARN CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(Br)cc1 ZINC000037542715 569199402 /nfs/dbraw/zinc/19/94/02/569199402.db2.gz ARIBWKQIILBKEP-UHFFFAOYSA-N 0 0 442.176 5.026 50 0 IKAARN Cc1ccccc1Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2sccc21 ZINC000037526384 569199169 /nfs/dbraw/zinc/19/91/69/569199169.db2.gz CPGYVZLEDVZEJD-UHFFFAOYSA-N 0 0 429.589 5.018 50 0 IKAARN COc1ccccc1CCNC(=O)c1cc2sc(C)cc2n1CCOc1ccccc1 ZINC000037527035 569199215 /nfs/dbraw/zinc/19/92/15/569199215.db2.gz IWPNGISLLHWQBE-UHFFFAOYSA-N 0 0 434.561 5.071 50 0 IKAARN Cc1cc2c(cc(C(=O)N3CCN(Cc4ccccc4)CC3)n2Cc2ccc(F)cc2)s1 ZINC000037541327 569199340 /nfs/dbraw/zinc/19/93/40/569199340.db2.gz VJHMYDZWYMQIEN-UHFFFAOYSA-N 0 0 447.579 5.157 50 0 IKAARN CC(C)=CCn1c(C(=O)N2CCc3ccccc3C2)cc2scc(Br)c21 ZINC000037542790 569199416 /nfs/dbraw/zinc/19/94/16/569199416.db2.gz PHJRPNNUNPFKGS-UHFFFAOYSA-N 0 0 429.383 5.630 50 0 IKAARN CC(C)NC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1 ZINC000037543073 569199434 /nfs/dbraw/zinc/19/94/34/569199434.db2.gz 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569199577 /nfs/dbraw/zinc/19/95/77/569199577.db2.gz PUVFWSRHKGFBNJ-UHFFFAOYSA-N 0 0 441.503 5.040 50 0 IKAARN O=C(NCc1ccccc1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 ZINC000037543519 569199594 /nfs/dbraw/zinc/19/95/94/569199594.db2.gz WQTNTXQTPBWLNK-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c1 ZINC000037544717 569199620 /nfs/dbraw/zinc/19/96/20/569199620.db2.gz UVJFPZLXTDUHHL-UHFFFAOYSA-N 0 0 434.927 5.816 50 0 IKAARN COc1cccc(CN2CCCN(c3cccc(NC(=O)OCc4ccccc4)c3)C2=O)c1 ZINC000037545008 569199660 /nfs/dbraw/zinc/19/96/60/569199660.db2.gz YLLMZTQERALFLS-UHFFFAOYSA-N 0 0 445.519 5.276 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(N2CCCN(Cc3ccccc3Cl)C2=O)c1 ZINC000037544384 569199672 /nfs/dbraw/zinc/19/96/72/569199672.db2.gz BTQGJXYIDPJQBL-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3cccnc3)cc3scc(Br)c32)c1 ZINC000037541820 569199715 /nfs/dbraw/zinc/19/97/15/569199715.db2.gz ORBMMKQYEVQGAV-UHFFFAOYSA-N 0 0 440.366 5.147 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2C)c1CCC(=O)NCc1ccco1 ZINC000037546983 569199844 /nfs/dbraw/zinc/19/98/44/569199844.db2.gz FEQRIDKULRWNSZ-UHFFFAOYSA-N 0 0 433.483 5.263 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(F)cc1 ZINC000037546997 569199914 /nfs/dbraw/zinc/19/99/14/569199914.db2.gz BNDFMHXSEKPNHP-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2C)c1CCC(=O)Nc1cccc(F)c1 ZINC000037547127 569199973 /nfs/dbraw/zinc/19/99/73/569199973.db2.gz DDERMYDARRKOFY-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1 ZINC000037547199 569199990 /nfs/dbraw/zinc/19/99/90/569199990.db2.gz ZYWLZUICZZXMLM-UHFFFAOYSA-N 0 0 433.483 5.263 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC(C)C ZINC000037547132 569199992 /nfs/dbraw/zinc/19/99/92/569199992.db2.gz DSYCDCWHQTVWQT-UHFFFAOYSA-N 0 0 427.495 5.264 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)Nc1cccc(C)c1 ZINC000037547172 569200010 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COc1ccc(CNc2ccc(CC(=O)NCc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000037554858 569200423 /nfs/dbraw/zinc/20/04/23/569200423.db2.gz DXWLONSVEVWKDX-UHFFFAOYSA-N 0 0 428.454 5.185 50 0 IKAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037555104 569200441 /nfs/dbraw/zinc/20/04/41/569200441.db2.gz TVOWNWCGFOCQEV-UHFFFAOYSA-N 0 0 440.587 5.577 50 0 IKAARN CC[C@H](C)NC(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1 ZINC000037555271 569200449 /nfs/dbraw/zinc/20/04/49/569200449.db2.gz NSAXUSOGJOXDKI-NRFANRHFSA-N 0 0 444.575 5.308 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccco3)cc2)cc1 ZINC000037555324 569200563 /nfs/dbraw/zinc/20/05/63/569200563.db2.gz RKQCTVYUGJCVKW-UHFFFAOYSA-N 0 0 438.527 5.294 50 0 IKAARN CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000037555751 569200573 /nfs/dbraw/zinc/20/05/73/569200573.db2.gz FEIZZVKNEQRKKH-UHFFFAOYSA-N 0 0 441.358 5.519 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1)NCc1ccco1 ZINC000037555676 569200583 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O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037580710 569202061 /nfs/dbraw/zinc/20/20/61/569202061.db2.gz BDYBZMIGJJOKHH-UHFFFAOYSA-N 0 0 442.456 5.554 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3SCc3ccc(Cl)cc3)c2c2c1CCC2 ZINC000002213797 569202151 /nfs/dbraw/zinc/20/21/51/569202151.db2.gz XPVACQXDSTYEOS-UHFFFAOYSA-N 0 0 440.037 6.872 50 0 IKAARN Cc1cccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)NC(C)(C)C)c2)c1 ZINC000037600473 569202247 /nfs/dbraw/zinc/20/22/47/569202247.db2.gz YQJIPRZEVYBYMM-UHFFFAOYSA-N 0 0 447.554 5.830 50 0 IKAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1cccc(CC(=O)Nc2ccccc2)c1 ZINC000037600862 569202255 /nfs/dbraw/zinc/20/22/55/569202255.db2.gz OHFVOQXYVSFGKA-FMQUCBEESA-N 0 0 446.550 6.114 50 0 IKAARN CC(C)CNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)/C=C/c2ccccc2)c1 ZINC000037601062 569202261 /nfs/dbraw/zinc/20/22/61/569202261.db2.gz GORCNMWPTXXEGD-DTQAZKPQSA-N 0 0 444.550 5.387 50 0 IKAARN CN(Cc1ccco1)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000037601046 569202263 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IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccc(Cl)cc3)cc21 ZINC000009600906 569215839 /nfs/dbraw/zinc/21/58/39/569215839.db2.gz PGOMVMGJZHKIEK-UHFFFAOYSA-N 0 0 433.891 5.988 50 0 IKAARN COc1ccc(N2C(=O)[C@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2/C=C\c2ccccc2)cc1 ZINC000215050150 569215917 /nfs/dbraw/zinc/21/59/17/569215917.db2.gz GHEBDNXVYPYCJK-MPGRBCNCSA-N 0 0 433.592 5.970 50 0 IKAARN CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002263806 569216049 /nfs/dbraw/zinc/21/60/49/569216049.db2.gz ULIIJIWQXYHWRB-ZDUSSCGKSA-N 0 0 438.915 5.021 50 0 IKAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002263805 569216076 /nfs/dbraw/zinc/21/60/76/569216076.db2.gz ULIIJIWQXYHWRB-CYBMUJFWSA-N 0 0 438.915 5.021 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000002265663 569216217 /nfs/dbraw/zinc/21/62/17/569216217.db2.gz BHOCTWYDPRAXIO-KDOFPFPSSA-N 0 0 448.589 5.029 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000002265921 569216318 /nfs/dbraw/zinc/21/63/18/569216318.db2.gz JDQHBPWQKKQQIU-ACJLOTCBSA-N 0 0 448.589 5.029 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000027500715 569216411 /nfs/dbraw/zinc/21/64/11/569216411.db2.gz CIHJHEOKWCWCKY-UHFFFAOYSA-N 0 0 443.330 6.287 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(Oc3ccc(-c4ccccc4)cc3)n2)cc1Cl ZINC000002268675 569216476 /nfs/dbraw/zinc/21/64/76/569216476.db2.gz NFXPDAHVRCTLHZ-UHFFFAOYSA-N 0 0 443.333 8.063 50 0 IKAARN CC(C)CCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002253757 569216563 /nfs/dbraw/zinc/21/65/63/569216563.db2.gz VLDNNKKAJOOVPU-UHFFFAOYSA-N 0 0 426.879 5.151 50 0 IKAARN O=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 ZINC000002253902 569216661 /nfs/dbraw/zinc/21/66/61/569216661.db2.gz HZALOAPXVVRJIH-UHFFFAOYSA-N 0 0 432.527 6.058 50 0 IKAARN CCCCOC(=O)c1cc2ccccc2cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000002254628 569216694 /nfs/dbraw/zinc/21/66/94/569216694.db2.gz OUJLSGDECQBHKH-UHFFFAOYSA-N 0 0 446.330 6.121 50 0 IKAARN CCn1c(=O)c2c(nc1SCc1ccc(Cl)cc1)-c1ccccc1CC21CCCC1 ZINC000002253995 569216706 /nfs/dbraw/zinc/21/67/06/569216706.db2.gz OTFSPFQRNMUPAG-UHFFFAOYSA-N 0 0 437.008 6.244 50 0 IKAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(Cl)c3)N2C1=O ZINC000002255354 569216747 /nfs/dbraw/zinc/21/67/47/569216747.db2.gz LVWGRGMQWYVKHX-QUCCMNQESA-N 0 0 440.952 5.122 50 0 IKAARN CCCCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002255310 569216772 /nfs/dbraw/zinc/21/67/72/569216772.db2.gz GAKZJQGBJGUUEP-UHFFFAOYSA-N 0 0 435.959 5.330 50 0 IKAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(Cl)c3)N2C1=O ZINC000002255353 569216784 /nfs/dbraw/zinc/21/67/84/569216784.db2.gz LVWGRGMQWYVKHX-ICSRJNTNSA-N 0 0 440.952 5.122 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)cc1Cl ZINC000002255990 569216860 /nfs/dbraw/zinc/21/68/60/569216860.db2.gz ALAYIWQOGSDRRU-SDNWHVSQSA-N 0 0 431.875 5.978 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=N2)c2ccccc2O[C@@H]1c1ccccc1F ZINC000002256303 569216934 /nfs/dbraw/zinc/21/69/34/569216934.db2.gz CSTQWRYBURWMPM-LEWJYISDSA-N 0 0 448.548 5.761 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000002256715 569216980 /nfs/dbraw/zinc/21/69/80/569216980.db2.gz APOLUTSYWVMFMI-HXUWFJFHSA-N 0 0 432.501 5.015 50 0 IKAARN CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=N2)c2ccccc2O[C@@H]1c1ccccc1 ZINC000002256488 569217036 /nfs/dbraw/zinc/21/70/36/569217036.db2.gz QUCLTTRYVNDGBS-DHIUTWEWSA-N 0 0 442.519 5.699 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=N2)c2ccccc2O[C@@H]1c1ccccc1 ZINC000002256487 569217065 /nfs/dbraw/zinc/21/70/65/569217065.db2.gz QUCLTTRYVNDGBS-XZOQPEGZSA-N 0 0 442.519 5.699 50 0 IKAARN Cc1ccc2c(c1)N([C@H](C(=O)Oc1ccccc1)C(Cl)(Cl)Cl)C(C)(C)C=C2C ZINC000002270930 569217157 /nfs/dbraw/zinc/21/71/57/569217157.db2.gz CVWKXUHVOGTPHL-LJQANCHMSA-N 0 0 438.782 6.341 50 0 IKAARN CCOC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1 ZINC000011024120 569217275 /nfs/dbraw/zinc/21/72/75/569217275.db2.gz MNUDLAZOFVNJAC-UHFFFAOYSA-N 0 0 429.567 5.134 50 0 IKAARN COC(=O)c1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000002269603 569217291 /nfs/dbraw/zinc/21/72/91/569217291.db2.gz MKIHHZQRFUICAB-UHFFFAOYSA-N 0 0 425.271 6.183 50 0 IKAARN CC(C)CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002272746 569217708 /nfs/dbraw/zinc/21/77/08/569217708.db2.gz GUYVTYBAFGOTLI-UHFFFAOYSA-N 0 0 444.644 6.465 50 0 IKAARN CC1(C)c2ccccc2N2[C@H](C(=O)Nc3ccccc3)[C@H]3C[C@]21Oc1ccc2ccccc2c13 ZINC000002274709 569217755 /nfs/dbraw/zinc/21/77/55/569217755.db2.gz PMHSFIULDHIJHK-MVQDXTSDSA-N 0 0 446.550 6.221 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc2c1CC(C)(C)SC2 ZINC000002274752 569217878 /nfs/dbraw/zinc/21/78/78/569217878.db2.gz AEBKCHKNHJYSGE-UHFFFAOYSA-N 0 0 447.622 5.780 50 0 IKAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002275903 569217888 /nfs/dbraw/zinc/21/78/88/569217888.db2.gz ZPVNOVLAHWLDLQ-CQSZACIVSA-N 0 0 438.622 5.358 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc(Cl)cc1 ZINC000002279193 569218016 /nfs/dbraw/zinc/21/80/16/569218016.db2.gz XHQXHQQHGPGENJ-UHFFFAOYSA-N 0 0 425.315 5.839 50 0 IKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC(c1ccccc1)c1ccccc1 ZINC000027520409 569218020 /nfs/dbraw/zinc/21/80/20/569218020.db2.gz ORJOKBAIWYKGOY-UHFFFAOYSA-N 0 0 436.599 7.066 50 0 IKAARN CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)Cc3ccccc3)c3ccccc3c21 ZINC000002277698 569218023 /nfs/dbraw/zinc/21/80/23/569218023.db2.gz CRRZZUYXWUJTEC-UHFFFAOYSA-N 0 0 443.543 6.228 50 0 IKAARN CCOC(=O)/C(=C/c1c(F)cccc1Cl)NC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000027520521 569218111 /nfs/dbraw/zinc/21/81/11/569218111.db2.gz WNIACDIVLMWKKE-LFXKSGLVSA-N 0 0 442.701 5.520 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000027519497 569218134 /nfs/dbraw/zinc/21/81/34/569218134.db2.gz AYXOBELDALDUON-STZFKDTASA-N 0 0 449.459 5.294 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000027520300 569218221 /nfs/dbraw/zinc/21/82/21/569218221.db2.gz FCOVLOPGVYQYRL-UHFFFAOYSA-N 0 0 431.250 5.958 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(-c2ccccc2)cc1 ZINC000027521210 569218268 /nfs/dbraw/zinc/21/82/68/569218268.db2.gz ULJCCWVRWRAFEJ-UHFFFAOYSA-N 0 0 426.903 6.512 50 0 IKAARN Cc1cc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)ccc1Br ZINC000027521038 569218315 /nfs/dbraw/zinc/21/83/15/569218315.db2.gz SNQWLVBNFRMDJH-QNGOZBTKSA-N 0 0 435.321 5.167 50 0 IKAARN Cc1ccc(NC(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2ccc(C)cc2)cc1 ZINC000027520991 569218342 /nfs/dbraw/zinc/21/83/42/569218342.db2.gz FZJMVCMMNPZEFG-JCMHNJIXSA-N 0 0 449.348 5.476 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)nc2c1 ZINC000027521219 569218391 /nfs/dbraw/zinc/21/83/91/569218391.db2.gz HBOIIEGUNLOXQW-MRXNPFEDSA-N 0 0 430.504 6.278 50 0 IKAARN O=C1CS[C@@H](c2ccc(CCCCCCCO)cc2)N1c1ccc(Br)cc1 ZINC000027521331 569218489 /nfs/dbraw/zinc/21/84/89/569218489.db2.gz SSCQJQLMPZGKGB-QFIPXVFZSA-N 0 0 448.426 5.713 50 0 IKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2cccc(F)c2)cc1 ZINC000027521773 569218706 /nfs/dbraw/zinc/21/87/06/569218706.db2.gz PZXASPXGOXVNPJ-JLPGSUDCSA-N 0 0 434.486 5.717 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000013616524 569256758 /nfs/dbraw/zinc/25/67/58/569256758.db2.gz FJBMAEXNZBYBBQ-URXFXBBRSA-N 0 0 436.870 5.240 50 0 IKAARN O=C1[C@H](C2(Cl)CCCCC2)CCC[C@H]1C[C@@H]1CCC[C@@H](C2(Cl)CCCCC2)C1=O ZINC000013764932 569256764 /nfs/dbraw/zinc/25/67/64/569256764.db2.gz LIEKHNOVNVFJAU-UWHLTILDSA-N 0 0 441.483 7.231 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000017265332 569256842 /nfs/dbraw/zinc/25/68/42/569256842.db2.gz YATKPBYGTXMBDD-GMAHTHKFSA-N 0 0 425.370 6.207 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1Cl)O2 ZINC000019799409 569256903 /nfs/dbraw/zinc/25/69/03/569256903.db2.gz MBMDJBFJGOBUQY-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3coc4ccccc4c3=O)[C@@H]1CO2 ZINC000019863172 569257001 /nfs/dbraw/zinc/25/70/01/569257001.db2.gz KZMLIDOVAPSFBQ-DWXRJYCRSA-N 0 0 425.509 6.078 50 0 IKAARN Cc1ccc2occ([C@@H]3Sc4ccccc4N=C4c5cc(C)ccc5OC[C@@H]43)c(=O)c2c1 ZINC000019863181 569257007 /nfs/dbraw/zinc/25/70/07/569257007.db2.gz HELOETTVEIIPCN-UZTOHYMASA-N 0 0 439.536 6.386 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000019880860 569257023 /nfs/dbraw/zinc/25/70/23/569257023.db2.gz KWHJVPSVVPBDLV-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN O=C1COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)OCCO5)n3)cc2N1 ZINC000019863149 569257060 /nfs/dbraw/zinc/25/70/60/569257060.db2.gz JCUJMUMUNLDOFC-UHFFFAOYSA-N 0 0 436.467 5.185 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@@H]21 ZINC000019863215 569257061 /nfs/dbraw/zinc/25/70/61/569257061.db2.gz BDEMTNWIPSQHBK-GKVSMKOHSA-N 0 0 447.462 6.048 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3coc4ccccc4c3=O)[C@@H]1CO2 ZINC000019863175 569257062 /nfs/dbraw/zinc/25/70/62/569257062.db2.gz KZMLIDOVAPSFBQ-WXTAPIANSA-N 0 0 425.509 6.078 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1ccccc1Cl)O2 ZINC000019924590 569257139 /nfs/dbraw/zinc/25/71/39/569257139.db2.gz VVAKELWTLYPLHW-RSXGOPAZSA-N 0 0 445.349 7.389 50 0 IKAARN Cc1ccc(Sc2cc3cc(Br)cc(Br)c3oc2=O)cc1 ZINC000019925347 569257175 /nfs/dbraw/zinc/25/71/75/569257175.db2.gz IBLIBFWMNRHZGR-UHFFFAOYSA-N 0 0 426.129 5.778 50 0 IKAARN Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)s4)=NN32)c1 ZINC000019928219 569257251 /nfs/dbraw/zinc/25/72/51/569257251.db2.gz ZQBFTPOMQDEVCR-JXFKEZNVSA-N 0 0 429.314 5.892 50 0 IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccc(C)cc3)C1[C@@H](c1ccc(F)cc1)O2 ZINC000019925987 569257263 /nfs/dbraw/zinc/25/72/63/569257263.db2.gz HBGZDWBUQGRTLB-LOSJGSFVSA-N 0 0 440.478 5.294 50 0 IKAARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1OC ZINC000019926464 569257297 /nfs/dbraw/zinc/25/72/97/569257297.db2.gz CFYAXJUSSLKAJA-RBJSKKJNSA-N 0 0 436.511 6.099 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000026772049 569257332 /nfs/dbraw/zinc/25/73/32/569257332.db2.gz AVKOXLQFEXCUQS-QKAOAIJKSA-N 0 0 447.575 5.447 50 0 biogenic IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccc(C)cc3)C1[C@H](c1cccs1)O2 ZINC000019928344 569257338 /nfs/dbraw/zinc/25/73/38/569257338.db2.gz XGWNIXHKRAZZIY-PKTZIBPZSA-N 0 0 428.517 5.217 50 0 IKAARN O[C@@H](CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000025223211 569257416 /nfs/dbraw/zinc/25/74/16/569257416.db2.gz NJYHKWVDLCTUJQ-IBGZPJMESA-N 0 0 429.904 5.205 50 0 IKAARN CC(C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000028222693 569257537 /nfs/dbraw/zinc/25/75/37/569257537.db2.gz DXQRKVMBLWBPLG-MHZLTWQESA-N 0 0 437.543 5.865 50 0 IKAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3c3ccc(C)cc3)c3ccccc3n2C)cc1 ZINC000034887829 569257578 /nfs/dbraw/zinc/25/75/78/569257578.db2.gz FTYUGJVPOBOKEE-PMERELPUSA-N 0 0 442.562 7.212 50 0 IKAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3c3ccc(C)cc3)c3ccccc3n2C)cc1 ZINC000034887830 569257589 /nfs/dbraw/zinc/25/75/89/569257589.db2.gz FTYUGJVPOBOKEE-SSEXGKCCSA-N 0 0 442.562 7.212 50 0 IKAARN CCC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371712 569257783 /nfs/dbraw/zinc/25/77/83/569257783.db2.gz QHOMXCCLTQDVMP-ZPVFDEIFSA-N 0 0 428.657 6.893 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000039942587 569257826 /nfs/dbraw/zinc/25/78/26/569257826.db2.gz YAXRKAKOIWXVHL-KZJWOTPSSA-N 0 0 440.712 7.982 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000100739792 569258681 /nfs/dbraw/zinc/25/86/81/569258681.db2.gz WPDKSIHFDSWLRC-IRLDBZIGSA-N 0 0 441.275 5.970 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1ccc2ccccc2c1 ZINC000231426913 569259066 /nfs/dbraw/zinc/25/90/66/569259066.db2.gz HDZUKAKJNUJUAC-LCLRXQSTSA-N 0 0 434.583 7.694 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C(=O)Nc4ccccc4)CC[C@]32C)C1 ZINC000257347870 569263156 /nfs/dbraw/zinc/26/31/56/569263156.db2.gz XMWPQZREYSBONJ-FRENLWITSA-N 0 0 449.635 6.526 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000027527388 569263222 /nfs/dbraw/zinc/26/32/22/569263222.db2.gz FWZGBCQOWZPOPS-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000027527516 569263234 /nfs/dbraw/zinc/26/32/34/569263234.db2.gz FVPOZDZDAYZBLG-UHFFFAOYSA-N 0 0 449.913 5.537 50 0 IKAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000027528263 569263572 /nfs/dbraw/zinc/26/35/72/569263572.db2.gz QTKBBMDMBGSWAM-UHFFFAOYSA-N 0 0 440.480 5.961 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)cc1 ZINC000027528316 569263583 /nfs/dbraw/zinc/26/35/83/569263583.db2.gz SWLRENIXQOEOMO-UHFFFAOYSA-N 0 0 428.360 6.158 50 0 IKAARN CC(C)Cc1ccc(-c2csc(-c3nc(-c4ccc(CC(C)C)cc4)cs3)n2)cc1 ZINC000002283002 569263621 /nfs/dbraw/zinc/26/36/21/569263621.db2.gz JDXPJCUSQMOSSD-UHFFFAOYSA-N 0 0 432.658 7.998 50 0 IKAARN O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1ccc2c3c(cccc31)CC2 ZINC000002283974 569263725 /nfs/dbraw/zinc/26/37/25/569263725.db2.gz XJTHKHDUTWXZCP-VWLOTQADSA-N 0 0 431.582 5.528 50 0 IKAARN Cc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1C ZINC000002284810 569263824 /nfs/dbraw/zinc/26/38/24/569263824.db2.gz JYXHOMQZCIUIAW-UHFFFAOYSA-N 0 0 429.321 6.015 50 0 IKAARN 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]3C[C@@H](O)[C@]21C ZINC000257356107 569263834 /nfs/dbraw/zinc/26/38/34/569263834.db2.gz FVYCOKNQUSFTBH-JAGBHXADSA-N 0 0 448.644 5.137 50 0 IKAARN O=C(Oc1c(Br)cc(Br)c2cccnc21)c1ccccc1Cl ZINC000002285262 569263836 /nfs/dbraw/zinc/26/38/36/569263836.db2.gz AMEZWVKSWMCSLE-UHFFFAOYSA-N 0 0 441.506 5.632 50 0 IKAARN 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]3C[C@@H](O)[C@@]21C ZINC000257356108 569263847 /nfs/dbraw/zinc/26/38/47/569263847.db2.gz FVYCOKNQUSFTBH-RDPYWXQBSA-N 0 0 448.644 5.137 50 0 IKAARN 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]3C[C@H](O)[C@@]21C ZINC000257356110 569263848 /nfs/dbraw/zinc/26/38/48/569263848.db2.gz FVYCOKNQUSFTBH-ZHMSVXQNSA-N 0 0 448.644 5.137 50 0 IKAARN COC(=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257355286 569263861 /nfs/dbraw/zinc/26/38/61/569263861.db2.gz AAYJGOKQTHXQBJ-YHBRLJAJSA-N 0 0 428.701 7.817 50 0 IKAARN CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1C ZINC000002287360 569263946 /nfs/dbraw/zinc/26/39/46/569263946.db2.gz XTDHKMTXZNCJRN-UHFFFAOYSA-N 0 0 441.483 5.594 50 0 IKAARN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000253375748 569264092 /nfs/dbraw/zinc/26/40/92/569264092.db2.gz QUZJKKHHGAZCKG-UKILVPOCSA-N 0 0 449.595 5.033 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)cc1OC ZINC000253394869 569264586 /nfs/dbraw/zinc/26/45/86/569264586.db2.gz AGTFYFKVYOAGKH-IBGZPJMESA-N 0 0 442.467 5.227 50 0 biogenic IKAARN O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc32)O1 ZINC000253397334 569264671 /nfs/dbraw/zinc/26/46/71/569264671.db2.gz BKBDNQKJRHKZSQ-FQEVSTJZSA-N 0 0 440.426 5.468 50 0 biogenic IKAARN Cc1occc1-c1nnc(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)n1-c1ccccc1 ZINC000253398024 569264704 /nfs/dbraw/zinc/26/47/04/569264704.db2.gz JTJZOGGHSFJXDR-LJQANCHMSA-N 0 0 444.560 5.090 50 0 IKAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000253425394 569267256 /nfs/dbraw/zinc/26/72/56/569267256.db2.gz CWEVRSUGDZCFIT-UHFFFAOYSA-N 0 0 425.275 5.823 50 0 IKAARN CN(C)c1cccc(C2=NN(C(=S)NCc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000253426676 569267366 /nfs/dbraw/zinc/26/73/66/569267366.db2.gz IDNYFUJZODAJFV-DEOSSOPVSA-N 0 0 449.023 5.632 50 0 IKAARN C[C@@](O)(c1nc(-c2ccc(Oc3ccccc3)nc2)no1)c1cccc(C(F)(F)F)c1 ZINC000253427680 569267475 /nfs/dbraw/zinc/26/74/75/569267475.db2.gz ALLWSKQCUUTKMD-NRFANRHFSA-N 0 0 427.382 5.199 50 0 IKAARN CCCc1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002292082 569268022 /nfs/dbraw/zinc/26/80/22/569268022.db2.gz RDFZPNGGRAODOZ-UHFFFAOYSA-N 0 0 435.618 6.336 50 0 IKAARN Clc1ccc2c(c1)N[C@]1(c3ccccc3)c3ccc(Cl)cc3N[C@]21c1ccccc1 ZINC000002293652 569268126 /nfs/dbraw/zinc/26/81/26/569268126.db2.gz RZWIURJMIWZPHK-CLJLJLNGSA-N 0 0 429.350 7.032 50 0 IKAARN COC(=O)c1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000002295312 569268166 /nfs/dbraw/zinc/26/81/66/569268166.db2.gz JILDSCROSJJBET-UHFFFAOYSA-N 0 0 434.293 5.590 50 0 IKAARN Cc1ccccc1-n1cnc2cc(Nc3nnc(-c4ccccc4)c4ccccc43)ccc21 ZINC000002296234 569268241 /nfs/dbraw/zinc/26/82/41/569268241.db2.gz KQYRRNKPNKYBBY-UHFFFAOYSA-N 0 0 427.511 6.688 50 0 IKAARN CCCSc1nnc2n1-c1nnc(SCCC)n1-c1sc3c(c1-2)CC[C@@H](C)C3 ZINC000002296565 569268245 /nfs/dbraw/zinc/26/82/45/569268245.db2.gz OUCVDKCWTDHBEK-LLVKDONJSA-N 0 0 432.644 5.019 50 0 IKAARN CCCCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002296544 569268255 /nfs/dbraw/zinc/26/82/55/569268255.db2.gz KZEJMDMHTKHNAY-UHFFFAOYSA-N 0 0 426.630 6.282 50 0 IKAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000002296090 569268573 /nfs/dbraw/zinc/26/85/73/569268573.db2.gz LWANXKBOICVAER-DEOSSOPVSA-N 0 0 440.568 5.345 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@H]2C1 ZINC000239235392 569268625 /nfs/dbraw/zinc/26/86/25/569268625.db2.gz VWOOMHRDUWLVNY-WQVCFCJDSA-N 0 0 431.319 5.171 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000238937228 569268700 /nfs/dbraw/zinc/26/87/00/569268700.db2.gz UMLPMZKGGPUJSG-UNMCSNQZSA-N 0 0 436.309 5.095 50 0 IKAARN CCOc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1 ZINC000239321998 569268720 /nfs/dbraw/zinc/26/87/20/569268720.db2.gz JALKQRRLGKTKIG-VXNXHJTFSA-N 0 0 425.355 6.617 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccncc2)cc1 ZINC000239284729 569268774 /nfs/dbraw/zinc/26/87/74/569268774.db2.gz BYTIUKYIBNXDOK-IRLDBZIGSA-N 0 0 426.303 5.639 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2C(=O)OC)C1 ZINC000239306247 569268821 /nfs/dbraw/zinc/26/88/21/569268821.db2.gz GPUFBDGDSHCGJK-NEWSRXKRSA-N 0 0 425.594 5.818 50 0 IKAARN C[C@@H]1CCC[C@@H](Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@H]1C ZINC000239321942 569268823 /nfs/dbraw/zinc/26/88/23/569268823.db2.gz IYHXKSRTJBSOST-LVCYWYKZSA-N 0 0 436.625 5.427 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000239432728 569268892 /nfs/dbraw/zinc/26/88/92/569268892.db2.gz WFMOGQHPUBZYPQ-SQHAQQRYSA-N 0 0 428.532 6.070 50 0 IKAARN Cc1ccc([C@H](O)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000239434009 569269004 /nfs/dbraw/zinc/26/90/04/569269004.db2.gz YWKQZWIISXPLLT-JNSHDIIGSA-N 0 0 443.568 6.133 50 0 IKAARN COc1ccc(OC)c(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3cccc(F)c3)C2)c1 ZINC000241409063 569269006 /nfs/dbraw/zinc/26/90/06/569269006.db2.gz NEHPXGSYLAOKRI-QFIPXVFZSA-N 0 0 438.886 5.488 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000241231042 569269015 /nfs/dbraw/zinc/26/90/15/569269015.db2.gz KRMHTMWWLANUCO-BXKMTCNYSA-N 0 0 447.629 5.525 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(CN(Cc3cccs3)C[C@H]3CCCO3)nc(=O)c12 ZINC000240412888 569269077 /nfs/dbraw/zinc/26/90/77/569269077.db2.gz FONVBWNPBIDONO-NVXWUHKLSA-N 0 0 445.654 5.537 50 0 IKAARN COc1ccc(OC)c(C2=NN(C(=O)c3ccco3)[C@@H](c3c(F)cccc3Cl)C2)c1 ZINC000241587790 569269110 /nfs/dbraw/zinc/26/91/10/569269110.db2.gz OXFRHENOXCISEU-GOSISDBHSA-N 0 0 428.847 5.081 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(F)c(Cl)c3)C2)cc1OC ZINC000242038622 569269166 /nfs/dbraw/zinc/26/91/66/569269166.db2.gz VMNXQNSQQVYCIY-SFHVURJKSA-N 0 0 428.847 5.081 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(F)c(Cl)c3)C2)cc1OC ZINC000242038621 569269198 /nfs/dbraw/zinc/26/91/98/569269198.db2.gz VMNXQNSQQVYCIY-GOSISDBHSA-N 0 0 428.847 5.081 50 0 IKAARN O=C(Nc1ccnc2c(Cl)cc(Br)cc12)c1ccncc1Br ZINC000253432733 569269304 /nfs/dbraw/zinc/26/93/04/569269304.db2.gz NFEJFFRNHXLHTO-UHFFFAOYSA-N 0 0 441.510 5.061 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)c2cccs2)c1 ZINC000245226186 569269446 /nfs/dbraw/zinc/26/94/46/569269446.db2.gz JYQQAGGPXAPCLP-WYEJZRMESA-N 0 0 449.572 6.163 50 0 IKAARN CC(C)[C@H](O)P(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000244983839 569269462 /nfs/dbraw/zinc/26/94/62/569269462.db2.gz ITBZCTBEJMCLOU-LIVHYKCWSA-N 0 0 430.610 7.109 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000245238312 569269547 /nfs/dbraw/zinc/26/95/47/569269547.db2.gz JRJBBXRIKUPJJC-DGPALRBDSA-N 0 0 446.550 6.816 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000245238419 569269551 /nfs/dbraw/zinc/26/95/51/569269551.db2.gz NQPPCBDIQANLQL-RDPSFJRHSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1OC ZINC000245246050 569269695 /nfs/dbraw/zinc/26/96/95/569269695.db2.gz GPWQYIAEUMUSGJ-YKSBVNFPSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]3(C)c2ccc(Br)cc2)cc1 ZINC000245256962 569269700 /nfs/dbraw/zinc/26/97/00/569269700.db2.gz URAQWUKSEIIJRB-ISKFKSNPSA-N 0 0 449.348 5.874 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000245247587 569269706 /nfs/dbraw/zinc/26/97/06/569269706.db2.gz WWRJNWKACOOMPF-RDPSFJRHSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000245242001 569269708 /nfs/dbraw/zinc/26/97/08/569269708.db2.gz WCRYHSNIGWWFMM-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@H]2OC(C)=O)cc1 ZINC000245253618 569269719 /nfs/dbraw/zinc/26/97/19/569269719.db2.gz JPPVXERJZNMYHM-DLDGKKFASA-N 0 0 446.587 6.185 50 0 IKAARN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000245253574 569269731 /nfs/dbraw/zinc/26/97/31/569269731.db2.gz IBNFQZMCZXLXIE-NDHNDCTFSA-N 0 0 448.651 6.290 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000245329450 569269814 /nfs/dbraw/zinc/26/98/14/569269814.db2.gz ZCJKFYHNWQJUCU-LNMBMJLDSA-N 0 0 430.529 5.220 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000245377593 569269811 /nfs/dbraw/zinc/26/98/11/569269811.db2.gz NBAXVZLVEBDJEJ-RXVVDRJESA-N 0 0 425.351 6.061 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000245328160 569269818 /nfs/dbraw/zinc/26/98/18/569269818.db2.gz SMNNPRYAEDCRGM-VGESOYHRSA-N 0 0 447.531 5.964 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000245329449 569269850 /nfs/dbraw/zinc/26/98/50/569269850.db2.gz 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IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=C(C)C[C@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@]4(C)CC[C@@H]32)C1 ZINC000257358017 569280954 /nfs/dbraw/zinc/28/09/54/569280954.db2.gz RHCMLATVDLNRMC-BTBQJMLMSA-N 0 0 430.585 5.162 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257359041 569280962 /nfs/dbraw/zinc/28/09/62/569280962.db2.gz YAXRKAKOIWXVHL-DEHZZOJLSA-N 0 0 440.712 7.982 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000257359301 569280977 /nfs/dbraw/zinc/28/09/77/569280977.db2.gz ZLILDNLHVMTMDV-POPKDEDCSA-N 0 0 442.728 8.206 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=C(C)C[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000257358019 569280991 /nfs/dbraw/zinc/28/09/91/569280991.db2.gz RHCMLATVDLNRMC-TZAGVCNMSA-N 0 0 430.585 5.162 50 0 IKAARN CC1=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](C[C@H]4O[C@@]5(CC[C@H](C)CO5)[C@H](C)[C@H]43)[C@H]2C1 ZINC000257358045 569280995 /nfs/dbraw/zinc/28/09/95/569280995.db2.gz RJQCTQMDJCNDGK-DKFYCUKVSA-N 0 0 428.657 6.104 50 0 IKAARN 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]3C=C[C@]21C ZINC000257358338 569281000 /nfs/dbraw/zinc/28/10/00/569281000.db2.gz SWHWAFFISKDSIL-ALFKCHRBSA-N 0 0 430.629 5.942 50 0 IKAARN O=C(Nc1nnc(SCCOc2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000002347758 569281093 /nfs/dbraw/zinc/28/10/93/569281093.db2.gz SFPYPBRPXVIXPB-UHFFFAOYSA-N 0 0 441.365 5.660 50 0 IKAARN CCCCCCSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002348369 569281968 /nfs/dbraw/zinc/28/19/68/569281968.db2.gz VMUXNXMCLUXXCT-UHFFFAOYSA-N 0 0 438.681 7.141 50 0 IKAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1 ZINC000002348741 569282008 /nfs/dbraw/zinc/28/20/08/569282008.db2.gz SXIZZBSOFVMAHS-QGZVFWFLSA-N 0 0 428.488 5.386 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)c2)cc1 ZINC000263639735 569282394 /nfs/dbraw/zinc/28/23/94/569282394.db2.gz GPIHGEFNYBGAHL-UHFFFAOYSA-N 0 0 429.829 6.234 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000263639885 569282480 /nfs/dbraw/zinc/28/24/80/569282480.db2.gz NELHGPHALYQJFD-UHFFFAOYSA-N 0 0 444.762 6.692 50 0 IKAARN CCCSc1nc2sc3c(c2c2nnc(SCCC(C)C)n21)CC(C)(C)OC3 ZINC000002351669 569282680 /nfs/dbraw/zinc/28/26/80/569282680.db2.gz DNBACCZCQWJDAE-UHFFFAOYSA-N 0 0 436.672 5.831 50 0 IKAARN CO[C@@H]1C=C2CC[C@@H]3[C@@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253499017 569283274 /nfs/dbraw/zinc/28/32/74/569283274.db2.gz BNOQCYMVNKKTQV-XYZOHMEFSA-N 0 0 430.658 5.221 50 0 biogenic IKAARN 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)[C@@H]2O ZINC000253497850 569283309 /nfs/dbraw/zinc/28/33/09/569283309.db2.gz QUYCEUJYTAJEMW-MQTNHTELSA-N 0 0 448.569 6.463 50 0 IKAARN c1nn(-c2ccccc2)cc1CN1CC[C@H](c2ccc3c(c2)OCO3)Sc2ccccc21 ZINC000299799862 569283652 /nfs/dbraw/zinc/28/36/52/569283652.db2.gz VBDDPQJHFXMUAT-RUZDIDTESA-N 0 0 441.556 5.845 50 0 IKAARN CC[C@@H](CCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C ZINC000299803852 569283662 /nfs/dbraw/zinc/28/36/62/569283662.db2.gz HIIBKNHITKHXER-SMIZHRIESA-N 0 0 442.728 8.350 50 0 IKAARN CN(Cc1ccc(-c2ccccc2Cl)o1)Cc1nnc(SCc2ccncc2)n1C ZINC000299798379 569283705 /nfs/dbraw/zinc/28/37/05/569283705.db2.gz RKHHRRDMIFELBU-UHFFFAOYSA-N 0 0 439.972 5.048 50 0 IKAARN O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253623794 569284598 /nfs/dbraw/zinc/28/45/98/569284598.db2.gz MCUMXGHIWSBLRY-SFHVURJKSA-N 0 0 435.435 5.155 50 0 biogenic IKAARN Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000334157594 569285658 /nfs/dbraw/zinc/28/56/58/569285658.db2.gz QEAWPPQZJCAPIB-UHFFFAOYSA-N 0 0 429.134 5.470 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)c1 ZINC000334162627 569285761 /nfs/dbraw/zinc/28/57/61/569285761.db2.gz DDFHFWXSAUWRFT-OAQYLSRUSA-N 0 0 435.936 5.891 50 0 IKAARN Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1C ZINC000002360014 569286155 /nfs/dbraw/zinc/28/61/55/569286155.db2.gz ZBTHDMJTGLQZCN-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2c(C)cc(C)cc2C)cc1 ZINC000002361319 569287672 /nfs/dbraw/zinc/28/76/72/569287672.db2.gz SCFSWVLKOCPXDW-UHFFFAOYSA-N 0 0 428.532 5.466 50 0 IKAARN CCOC(=O)c1c2cc(OC/C=C/c3ccccc3)ccc2oc1-c1ccc(OC)cc1 ZINC000002363500 569287759 /nfs/dbraw/zinc/28/77/59/569287759.db2.gz WFPJUTZOOPOYIY-JXMROGBWSA-N 0 0 428.484 6.377 50 0 IKAARN COCCn1cc(CCCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000252497691 569288083 /nfs/dbraw/zinc/28/80/83/569288083.db2.gz QNBIFXDGEZKZQK-VWLOTQADSA-N 0 0 444.579 5.241 50 0 IKAARN O=C(Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21)c1ccccc1Cl ZINC000002368033 569288451 /nfs/dbraw/zinc/28/84/51/569288451.db2.gz SEBSJASRWJIANN-UHFFFAOYSA-N 0 0 425.875 6.463 50 0 IKAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000002367079 569288580 /nfs/dbraw/zinc/28/85/80/569288580.db2.gz QGGZIEOKSYEZIT-FNZWTVRRSA-N 0 0 440.318 5.172 50 0 IKAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002367082 569288609 /nfs/dbraw/zinc/28/86/09/569288609.db2.gz QGGZIEOKSYEZIT-IBVKSMDESA-N 0 0 440.318 5.172 50 0 IKAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253532896 569289103 /nfs/dbraw/zinc/28/91/03/569289103.db2.gz FDKJNVMJOZNFQP-NACPSSFOSA-N 0 0 430.629 6.086 50 0 IKAARN CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2cc1OC(C)=O ZINC000002371982 569289105 /nfs/dbraw/zinc/28/91/05/569289105.db2.gz KZPVCPTVMAIORF-UHFFFAOYSA-N 0 0 447.556 6.632 50 0 IKAARN O=C(Oc1c2ccccc2sc1C(=O)c1ccccc1)c1cccc(Br)c1 ZINC000002372882 569289266 /nfs/dbraw/zinc/28/92/66/569289266.db2.gz WQYIJOKQRUYVMB-UHFFFAOYSA-N 0 0 437.314 6.114 50 0 IKAARN CC[C@H](C)COC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc12 ZINC000002374946 569289301 /nfs/dbraw/zinc/28/93/01/569289301.db2.gz HDHHGMYOPCSRJB-IRXDYDNUSA-N 0 0 430.552 5.872 50 0 IKAARN COc1ccccc1NC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000002374646 569289334 /nfs/dbraw/zinc/28/93/34/569289334.db2.gz PVCMWPDLYNDDBN-UHFFFAOYSA-N 0 0 437.503 5.034 50 0 IKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cccc(Br)c1 ZINC000002375776 569289369 /nfs/dbraw/zinc/28/93/69/569289369.db2.gz DQNMOXMILQJYNN-UHFFFAOYSA-N 0 0 437.362 5.749 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002375831 569289371 /nfs/dbraw/zinc/28/93/71/569289371.db2.gz FHUHRGZWSPKDEJ-OAQYLSRUSA-N 0 0 444.339 7.931 50 0 IKAARN Cc1ccc(C)c(CSc2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 ZINC000002376066 569289429 /nfs/dbraw/zinc/28/94/29/569289429.db2.gz GBMUAGYGAQBWKC-FQEVSTJZSA-N 0 0 439.581 5.787 50 0 IKAARN CC(C)COP(=O)(OCC(C)C)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002376986 569289480 /nfs/dbraw/zinc/28/94/80/569289480.db2.gz PMZRLTDDRMXROF-OAQYLSRUSA-N 0 0 444.339 7.642 50 0 IKAARN CCc1ccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002378012 569289513 /nfs/dbraw/zinc/28/95/13/569289513.db2.gz RGHFDHMCTHANRQ-UHFFFAOYSA-N 0 0 439.563 5.339 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3nc(-c4ccncc4)nc4ccccc43)cc2)cc1 ZINC000002377082 569289588 /nfs/dbraw/zinc/28/95/88/569289588.db2.gz GPPHGBBPQBGAGL-UHFFFAOYSA-N 0 0 448.482 5.745 50 0 IKAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002378975 569289659 /nfs/dbraw/zinc/28/96/59/569289659.db2.gz QUKKCFMZYWVJBH-UHFFFAOYSA-N 0 0 442.906 5.225 50 0 IKAARN CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1 ZINC000585162754 569289947 /nfs/dbraw/zinc/28/99/47/569289947.db2.gz SFGFJCGJXSZYHW-KBQPQWKXSA-N 0 0 442.609 9.431 50 0 IKAARN Cc1c(Cl)c(C23CC4CC(CC(C4)C2)C3)ccc1NC(=S)NC(=O)c1ccccc1 ZINC000585655911 569290038 /nfs/dbraw/zinc/29/00/38/569290038.db2.gz PCUIAAQPUJVGGT-UHFFFAOYSA-N 0 0 439.024 6.243 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002380117 569290090 /nfs/dbraw/zinc/29/00/90/569290090.db2.gz PZXGKWBPIYNSJA-UHFFFAOYSA-N 0 0 436.943 5.461 50 0 IKAARN COc1cc(-n2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c(Cl)cc1Cl ZINC000008855321 569291246 /nfs/dbraw/zinc/29/12/46/569291246.db2.gz KRUGIRKWIJTDCG-UHFFFAOYSA-N 0 0 431.706 6.022 50 0 IKAARN O=C(c1oc2ccccc2c1CSCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000008857021 569291308 /nfs/dbraw/zinc/29/13/08/569291308.db2.gz ZXCFYTMABYDGBB-UHFFFAOYSA-N 0 0 426.459 7.116 50 0 IKAARN O=C(c1oc2ccccc2c1C[S@](=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000008857018 569291377 /nfs/dbraw/zinc/29/13/77/569291377.db2.gz ZTSSTXCLTNSOBX-SSEXGKCCSA-N 0 0 428.431 5.990 50 0 IKAARN Cc1c(Cl)cccc1-n1nc(-c2nc(-c3ccc(Cl)cc3)no2)c2ccccc2c1=O ZINC000008857160 569291409 /nfs/dbraw/zinc/29/14/09/569291409.db2.gz JOFOUNGBCQESSA-UHFFFAOYSA-N 0 0 449.297 5.718 50 0 IKAARN Clc1ccc(-c2cnn3c2nccc3-c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000008857210 569291459 /nfs/dbraw/zinc/29/14/59/569291459.db2.gz VMGLGPVRWZIAKB-UHFFFAOYSA-N 0 0 440.717 7.284 50 0 IKAARN CCOC(=O)Cn1c(SCc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008857241 569291469 /nfs/dbraw/zinc/29/14/69/569291469.db2.gz NFVWVNVHUFWMND-UHFFFAOYSA-N 0 0 442.584 6.381 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n(-c3ccc(Cl)cc3)n2)cc1C ZINC000008857143 569291471 /nfs/dbraw/zinc/29/14/71/569291471.db2.gz VVMLLRZOFKZCNK-UHFFFAOYSA-N 0 0 436.342 6.715 50 0 IKAARN Clc1ccc(-n2c(/C=C/c3ccccc3)nnc2SCc2ccccc2Cl)cc1 ZINC000008857365 569291598 /nfs/dbraw/zinc/29/15/98/569291598.db2.gz LFJPKMVNCMXMHV-XNTDXEJSSA-N 0 0 438.383 7.037 50 0 IKAARN C(=C/c1nc2ccc(Oc3ccccc3)cc2c2c1CCS2)\c1cccc2ccccc12 ZINC000008857317 569291612 /nfs/dbraw/zinc/29/16/12/569291612.db2.gz VAUIUPSCHUNFDN-FYWRMAATSA-N 0 0 431.560 7.999 50 0 IKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc3ccccc3nc2s1 ZINC000008873528 569291646 /nfs/dbraw/zinc/29/16/46/569291646.db2.gz KFPAXGJWWVKAEW-UHFFFAOYSA-N 0 0 436.993 6.674 50 0 IKAARN CSc1nc2ccc(Cl)cc2c(=O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000008873353 569291738 /nfs/dbraw/zinc/29/17/38/569291738.db2.gz KBJNKURAOOCGGG-UHFFFAOYSA-N 0 0 429.756 5.855 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000002380500 569291779 /nfs/dbraw/zinc/29/17/79/569291779.db2.gz HKMHFBUNLDMBKS-MRXNPFEDSA-N 0 0 428.561 6.016 50 0 IKAARN COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1OC ZINC000002380707 569291782 /nfs/dbraw/zinc/29/17/82/569291782.db2.gz UWVGIGLDQRUSDR-OAHLLOKOSA-N 0 0 436.581 5.098 50 0 IKAARN COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1OC ZINC000002380706 569291811 /nfs/dbraw/zinc/29/18/11/569291811.db2.gz UWVGIGLDQRUSDR-HNNXBMFYSA-N 0 0 436.581 5.098 50 0 IKAARN COc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2ccccc2)cc1 ZINC000008873799 569291840 /nfs/dbraw/zinc/29/18/40/569291840.db2.gz QIDNSPZRDITQQX-UHFFFAOYSA-N 0 0 428.435 6.243 50 0 IKAARN Cn1nc(-c2ccccc2)c(COC(=O)Nc2cccc(Cl)c2)c1Sc1ccccc1 ZINC000008887998 569291883 /nfs/dbraw/zinc/29/18/83/569291883.db2.gz NFHINYWUALWHDD-UHFFFAOYSA-N 0 0 449.963 6.640 50 0 IKAARN COc1ccc(N2C(=O)[C@H](CSc3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000008888273 569291915 /nfs/dbraw/zinc/29/19/15/569291915.db2.gz PXQZVWQDPVVHKV-RPBOFIJWSA-N 0 0 431.601 6.489 50 0 IKAARN CC1(C)Cc2nc3sc4c(ncnc4SCc4ccc(Cl)cc4)c3cc2CO1 ZINC000002386233 569294410 /nfs/dbraw/zinc/29/44/10/569294410.db2.gz MNKKBASDMYIFMY-UHFFFAOYSA-N 0 0 427.982 6.037 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2SCC(=O)Nc2ccc(C)cc2)c1-c1ccccc1 ZINC000002390886 569297705 /nfs/dbraw/zinc/29/77/05/569297705.db2.gz IPBCBGVZOPFMEP-UHFFFAOYSA-N 0 0 444.604 6.041 50 0 IKAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)C=Cc2ccc3ccccc3n2)cc1 ZINC000009670785 569297718 /nfs/dbraw/zinc/29/77/18/569297718.db2.gz FWZWCSGWZLAKOO-WUKNDPDISA-N 0 0 430.504 5.193 50 0 IKAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000002390787 569297759 /nfs/dbraw/zinc/29/77/59/569297759.db2.gz LFJBJNCPKYFKCX-HOTGVXAUSA-N 0 0 447.025 5.797 50 0 IKAARN Cc1oc2cc(OC(=O)/C=C/c3ccccc3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000002394238 569298135 /nfs/dbraw/zinc/29/81/35/569298135.db2.gz JPNYZDSVLIKXNH-SDNWHVSQSA-N 0 0 439.492 5.997 50 0 IKAARN CCn1c(CSc2nc3ccccc3s2)nnc1S[C@@H](C)c1nc(C(C)C)no1 ZINC000027777789 569298198 /nfs/dbraw/zinc/29/81/98/569298198.db2.gz AVVKTRKPGBAZHI-LBPRGKRZSA-N 0 0 446.627 5.560 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2cc(C)ccc2C)cc1 ZINC000002394531 569298215 /nfs/dbraw/zinc/29/82/15/569298215.db2.gz VNOVJQUFKYDDGH-UHFFFAOYSA-N 0 0 442.559 5.938 50 0 IKAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1 ZINC000002395768 569298362 /nfs/dbraw/zinc/29/83/62/569298362.db2.gz UMTMHTSTSIDAHK-XIJQHFHMSA-N 0 0 437.565 5.684 50 0 IKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cccc(C(F)(F)F)c3)cc2oc1=O ZINC000002396303 569298453 /nfs/dbraw/zinc/29/84/53/569298453.db2.gz SZCSEPNBVJBSAJ-UHFFFAOYSA-N 0 0 440.801 5.068 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1C ZINC000002397586 569298565 /nfs/dbraw/zinc/29/85/65/569298565.db2.gz SGFMQMRFEKJUKV-UHFFFAOYSA-N 0 0 439.993 6.359 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000002398965 569298863 /nfs/dbraw/zinc/29/88/63/569298863.db2.gz WRPDOWBPGXJRMC-OAQYLSRUSA-N 0 0 446.300 5.301 50 0 IKAARN CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 ZINC000002399474 569298960 /nfs/dbraw/zinc/29/89/60/569298960.db2.gz PNCAPBMRQSAXGP-OOWIMERYSA-N 0 0 438.508 5.902 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccc(F)cc2)cc1 ZINC000002399778 569298968 /nfs/dbraw/zinc/29/89/68/569298968.db2.gz NRNSXOFQGXYKKH-UHFFFAOYSA-N 0 0 446.522 5.851 50 0 IKAARN Clc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 ZINC000002399197 569299069 /nfs/dbraw/zinc/29/90/69/569299069.db2.gz XAKDOFBXHIRRCB-UHFFFAOYSA-N 0 0 430.939 5.782 50 0 IKAARN CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc54)nc3C2)cc1 ZINC000002400695 569299549 /nfs/dbraw/zinc/29/95/49/569299549.db2.gz MZGVQGDTZMCBSS-NRFANRHFSA-N 0 0 435.527 5.918 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3Cl)CC2=O)c1 ZINC000027792565 569299554 /nfs/dbraw/zinc/29/95/54/569299554.db2.gz MTYPGQAPGCNVFV-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN Cc1oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002401919 569299597 /nfs/dbraw/zinc/29/95/97/569299597.db2.gz CGDFZEVRGATPEX-UHFFFAOYSA-N 0 0 425.267 6.294 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)c1 ZINC000002402308 569299779 /nfs/dbraw/zinc/29/97/79/569299779.db2.gz OMLOYOOBNNKRIT-QGZVFWFLSA-N 0 0 448.636 6.501 50 0 IKAARN CC(C)Sc1nc2sc3c(c2c(SCCCc2ccccc2)n1)CC(C)(C)OC3 ZINC000002402998 569299803 /nfs/dbraw/zinc/29/98/03/569299803.db2.gz SEICBAGZGPHWJA-UHFFFAOYSA-N 0 0 444.691 6.768 50 0 IKAARN COc1ccc(Oc2c(C)oc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)cc1 ZINC000002405508 569300130 /nfs/dbraw/zinc/30/01/30/569300130.db2.gz XHIINOLOZLHZBA-UHFFFAOYSA-N 0 0 440.854 6.274 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2cc(Oc3cc(CO)ncn3)ccc21 ZINC000114976148 569300131 /nfs/dbraw/zinc/30/01/31/569300131.db2.gz JNLSTLQFDDAULK-UHFFFAOYSA-N 0 0 439.393 5.186 50 0 in-vitro IKAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000002407298 569300337 /nfs/dbraw/zinc/30/03/37/569300337.db2.gz BNVLERFDQANXGG-UHFFFAOYSA-N 0 0 427.552 5.035 50 0 IKAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002408311 569300347 /nfs/dbraw/zinc/30/03/47/569300347.db2.gz WNMKBBSHSWGILC-NRFANRHFSA-N 0 0 446.528 5.323 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000002408236 569300348 /nfs/dbraw/zinc/30/03/48/569300348.db2.gz IJSBWDQNYIBULD-HXUWFJFHSA-N 0 0 445.544 5.309 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3NCCc3ccccc3)c2c2c1CCC2 ZINC000002407463 569300351 /nfs/dbraw/zinc/30/03/51/569300351.db2.gz SPRKRLCCDDOFLE-UHFFFAOYSA-N 0 0 448.661 6.447 50 0 IKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002407890 569300357 /nfs/dbraw/zinc/30/03/57/569300357.db2.gz UPXFEGAHZYZMLU-UHFFFAOYSA-N 0 0 431.447 6.612 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000002408235 569300363 /nfs/dbraw/zinc/30/03/63/569300363.db2.gz IJSBWDQNYIBULD-FQEVSTJZSA-N 0 0 445.544 5.309 50 0 IKAARN CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002408312 569300364 /nfs/dbraw/zinc/30/03/64/569300364.db2.gz WNMKBBSHSWGILC-OAQYLSRUSA-N 0 0 446.528 5.323 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000002408138 569300366 /nfs/dbraw/zinc/30/03/66/569300366.db2.gz GQFFCXXIUPXGCV-IBGZPJMESA-N 0 0 436.920 5.578 50 0 IKAARN CCCc1nc2sc3c(nc(SC)nc3NCCc3ccccc3)c2c2c1CCC2 ZINC000002407630 569300369 /nfs/dbraw/zinc/30/03/69/569300369.db2.gz URPFLJIMIVLVBS-UHFFFAOYSA-N 0 0 434.634 6.057 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 ZINC000002407503 569300378 /nfs/dbraw/zinc/30/03/78/569300378.db2.gz LDJCJVRUYSUWBE-LJQANCHMSA-N 0 0 426.255 5.438 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2c(C)cccc2C)cc1 ZINC000002407891 569300383 /nfs/dbraw/zinc/30/03/83/569300383.db2.gz MPHKYVGUGGLIQK-UHFFFAOYSA-N 0 0 428.532 5.548 50 0 IKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2NCCc2ccccc2)c1-c1ccccc1 ZINC000002408665 569300464 /nfs/dbraw/zinc/30/04/64/569300464.db2.gz OOMWEHKIVSXLDD-UHFFFAOYSA-N 0 0 432.571 6.259 50 0 IKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2SCc2ccc(C)cc2)c1-c1ccccc1 ZINC000002408639 569300471 /nfs/dbraw/zinc/30/04/71/569300471.db2.gz QYVOXJVNDKKCBT-UHFFFAOYSA-N 0 0 449.623 7.205 50 0 IKAARN CCOc1ccccc1Oc1coc2cc(OCc3c(F)cccc3Cl)ccc2c1=O ZINC000002409550 569300497 /nfs/dbraw/zinc/30/04/97/569300497.db2.gz KBCDGZNUZYCFTB-UHFFFAOYSA-N 0 0 440.854 6.356 50 0 IKAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000002409054 569300501 /nfs/dbraw/zinc/30/05/01/569300501.db2.gz PNXJUOZIIITCMD-NRFANRHFSA-N 0 0 446.528 5.323 50 0 IKAARN Clc1ccc(-c2csc3ncnc(SCc4c(Cl)cccc4Cl)c23)cc1 ZINC000002409524 569300509 /nfs/dbraw/zinc/30/05/09/569300509.db2.gz CBEIKQAPBZKRIG-UHFFFAOYSA-N 0 0 437.804 7.611 50 0 IKAARN C[C@H](c1ccccc1)n1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 ZINC000002409544 569300510 /nfs/dbraw/zinc/30/05/10/569300510.db2.gz HKNHSTRDERHVCZ-LJQANCHMSA-N 0 0 449.558 5.139 50 0 IKAARN O=c1c2cc3c(nc2nc(SCCc2ccccc2)n1-c1cccc(Cl)c1)CCCC3 ZINC000002409312 569300513 /nfs/dbraw/zinc/30/05/13/569300513.db2.gz ARBJITROWJJSMP-UHFFFAOYSA-N 0 0 447.991 5.648 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002411132 569300886 /nfs/dbraw/zinc/30/08/86/569300886.db2.gz KHIOKGZPCZVYEJ-HXUWFJFHSA-N 0 0 432.501 5.015 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)s1 ZINC000002412345 569301043 /nfs/dbraw/zinc/30/10/43/569301043.db2.gz HXJXPOSKQUDBND-INIZCTEOSA-N 0 0 444.299 5.010 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002412016 569301070 /nfs/dbraw/zinc/30/10/70/569301070.db2.gz CAGPMJLKUSAECK-HXUWFJFHSA-N 0 0 446.330 5.460 50 0 IKAARN O=C(CCc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 ZINC000002413388 569301131 /nfs/dbraw/zinc/30/11/31/569301131.db2.gz HSJLTYFEXFXBIN-PKTZIBPZSA-N 0 0 441.510 5.135 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccc(C)cc2)cc1 ZINC000002412845 569301138 /nfs/dbraw/zinc/30/11/38/569301138.db2.gz DQTODOFSNONAHD-UHFFFAOYSA-N 0 0 442.559 6.020 50 0 IKAARN O=C(CCc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 ZINC000002413386 569301155 /nfs/dbraw/zinc/30/11/55/569301155.db2.gz HSJLTYFEXFXBIN-DHIUTWEWSA-N 0 0 441.510 5.135 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002413305 569301189 /nfs/dbraw/zinc/30/11/89/569301189.db2.gz RQLWZRVFAZRRRY-QFIPXVFZSA-N 0 0 431.513 5.470 50 0 IKAARN COc1ccc2c(c1)c(C(=O)CSc1nc(C)nc3c4ccccc4oc31)c(C)n2C ZINC000002413243 569301198 /nfs/dbraw/zinc/30/11/98/569301198.db2.gz YYNYLKNXYAXLMI-UHFFFAOYSA-N 0 0 431.517 5.468 50 0 IKAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O)c1ccccc1 ZINC000002413776 569301283 /nfs/dbraw/zinc/30/12/83/569301283.db2.gz YKPYEZOQJABUCN-FGZHOGPDSA-N 0 0 427.548 5.645 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000002419992 569301872 /nfs/dbraw/zinc/30/18/72/569301872.db2.gz JEIRFQQHGGSRAN-NRFANRHFSA-N 0 0 434.879 5.616 50 0 IKAARN Cc1ccc(-n2ncc3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc32)cc1Cl ZINC000002420846 569301936 /nfs/dbraw/zinc/30/19/36/569301936.db2.gz CJUROJJUVRJNMW-UHFFFAOYSA-N 0 0 429.698 5.399 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 ZINC000002421655 569302124 /nfs/dbraw/zinc/30/21/24/569302124.db2.gz VPJHCLFODMLLJJ-UHFFFAOYSA-N 0 0 427.913 5.318 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)s1 ZINC000002421925 569302152 /nfs/dbraw/zinc/30/21/52/569302152.db2.gz NLLRERCLVYWIBR-INIZCTEOSA-N 0 0 444.299 5.010 50 0 IKAARN Cc1ccc(Cl)cc1-n1ncc2c3nc(-c4ccc(Cl)cc4Cl)nn3cnc21 ZINC000002422823 569302183 /nfs/dbraw/zinc/30/21/83/569302183.db2.gz AODIZJNVMWBWQK-UHFFFAOYSA-N 0 0 429.698 5.399 50 0 IKAARN c1ccc2c(c1)cccc2OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1 ZINC000002425566 569302548 /nfs/dbraw/zinc/30/25/48/569302548.db2.gz WYXHLQAJUGUCNC-UHFFFAOYSA-N 0 0 432.527 5.891 50 0 biogenic IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccccc2C)cc1 ZINC000002427792 569302773 /nfs/dbraw/zinc/30/27/73/569302773.db2.gz CLTRQGHORLRHPM-UHFFFAOYSA-N 0 0 428.532 5.630 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 ZINC000011868308 569303107 /nfs/dbraw/zinc/30/31/07/569303107.db2.gz MUFGDQIXSNAPBD-AWNIVKPZSA-N 0 0 447.284 5.841 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000002430559 569303224 /nfs/dbraw/zinc/30/32/24/569303224.db2.gz VPTOTWJJLFEGIB-UHFFFAOYSA-N 0 0 429.907 5.422 50 0 IKAARN COc1cccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)c1 ZINC000002431362 569303322 /nfs/dbraw/zinc/30/33/22/569303322.db2.gz UWQSRZJELHMFKJ-UHFFFAOYSA-N 0 0 440.854 6.274 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn([C@H](C)C(=O)c3ccccc3)c(=O)c12 ZINC000011990629 569303359 /nfs/dbraw/zinc/30/33/59/569303359.db2.gz VUIPXLQGLLOWFK-QGZVFWFLSA-N 0 0 445.544 5.079 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000002432510 569303491 /nfs/dbraw/zinc/30/34/91/569303491.db2.gz QZWOKBJRLKRFNQ-RUZDIDTESA-N 0 0 439.511 5.206 50 0 IKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000002432861 569303495 /nfs/dbraw/zinc/30/34/95/569303495.db2.gz DRLTVGPJDNAGOK-UHFFFAOYSA-N 0 0 443.934 5.730 50 0 IKAARN CCCNC(=O)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccc(F)cc1)n3CCCC2 ZINC000002434030 569303554 /nfs/dbraw/zinc/30/35/54/569303554.db2.gz GEXFVDMSFPBNRH-UHFFFAOYSA-N 0 0 449.957 6.343 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000002433134 569303683 /nfs/dbraw/zinc/30/36/83/569303683.db2.gz QMUPWDVKTFESFC-HSZRJFAPSA-N 0 0 437.511 5.416 50 0 IKAARN Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3cccc(Cl)c3)cc2O)n1 ZINC000002432973 569303694 /nfs/dbraw/zinc/30/36/94/569303694.db2.gz ODXRBGGTZKLXAG-UHFFFAOYSA-N 0 0 438.314 5.984 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(Cl)cc2C)cc1 ZINC000002434943 569303711 /nfs/dbraw/zinc/30/37/11/569303711.db2.gz RSTLKVPWMBGUCT-UHFFFAOYSA-N 0 0 448.950 5.893 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002433131 569303713 /nfs/dbraw/zinc/30/37/13/569303713.db2.gz QMUPWDVKTFESFC-QHCPKHFHSA-N 0 0 437.511 5.416 50 0 IKAARN Cc1cccc(Cl)c1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000002435186 569303730 /nfs/dbraw/zinc/30/37/30/569303730.db2.gz YKFUANBWLICQGH-UHFFFAOYSA-N 0 0 425.315 5.758 50 0 IKAARN CCCCOCCCn1c2nc3ccccc3nc2nc1-c1ccc(Cl)cc1Cl ZINC000002435420 569303802 /nfs/dbraw/zinc/30/38/02/569303802.db2.gz UJWWQIXYDLVJMY-UHFFFAOYSA-N 0 0 429.351 6.160 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1)c1ccccc1 ZINC000002438654 569303889 /nfs/dbraw/zinc/30/38/89/569303889.db2.gz IHKJTODOTPNYOI-UHFFFAOYSA-N 0 0 438.961 6.177 50 0 IKAARN COc1ccc(CCNc2ncnc3c4c5c(c(C(C)C)nc4oc32)CCC5)cc1OC ZINC000002440182 569304023 /nfs/dbraw/zinc/30/40/23/569304023.db2.gz AFUNGINHOYTDEQ-UHFFFAOYSA-N 0 0 432.524 5.055 50 0 IKAARN CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002440267 569304103 /nfs/dbraw/zinc/30/41/03/569304103.db2.gz SARYUVASQNVNNS-GOSISDBHSA-N 0 0 438.892 5.051 50 0 IKAARN COc1ccccc1-c1coc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c1=O ZINC000002441804 569304126 /nfs/dbraw/zinc/30/41/26/569304126.db2.gz YBBYJSJJNWEVQW-UHFFFAOYSA-N 0 0 448.343 5.743 50 0 IKAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)cc1 ZINC000002441040 569304159 /nfs/dbraw/zinc/30/41/59/569304159.db2.gz OBFFUZVPECERPO-UHFFFAOYSA-N 0 0 445.906 5.122 50 0 IKAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000002443919 569304230 /nfs/dbraw/zinc/30/42/30/569304230.db2.gz GAPYMQQAQIIGEK-RUZDIDTESA-N 0 0 441.556 5.713 50 0 IKAARN CC(C)CCC[C@H](C)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 ZINC000002443142 569304255 /nfs/dbraw/zinc/30/42/55/569304255.db2.gz BBPPXKGPQSATCG-SFHVURJKSA-N 0 0 429.568 5.160 50 0 IKAARN CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccc(F)cc1 ZINC000002446406 569304369 /nfs/dbraw/zinc/30/43/69/569304369.db2.gz RJMKQCYASVJMSQ-MHZLTWQESA-N 0 0 437.530 6.323 50 0 IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000002445988 569304375 /nfs/dbraw/zinc/30/43/75/569304375.db2.gz HKVOHSZGYAYWPA-UHFFFAOYSA-N 0 0 431.439 5.688 50 0 IKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccc(Cl)cc1 ZINC000002444468 569304376 /nfs/dbraw/zinc/30/43/76/569304376.db2.gz ZBZQZUHVDUBLJR-UHFFFAOYSA-N 0 0 437.326 6.248 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 ZINC000002444269 569304410 /nfs/dbraw/zinc/30/44/10/569304410.db2.gz PKFKVEMFAFPTBT-UHFFFAOYSA-N 0 0 438.940 5.122 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000002447575 569304475 /nfs/dbraw/zinc/30/44/75/569304475.db2.gz GEGJELBSPRYVMD-UHFFFAOYSA-N 0 0 444.347 5.162 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCCO5)c3)nc2c1 ZINC000002446949 569304516 /nfs/dbraw/zinc/30/45/16/569304516.db2.gz MGUNLEOMSOZWTQ-UHFFFAOYSA-N 0 0 448.906 6.295 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(NCc2ccccc2)n1)CCC4 ZINC000002446760 569304521 /nfs/dbraw/zinc/30/45/21/569304521.db2.gz AJOBYLWOFCCURM-UHFFFAOYSA-N 0 0 444.585 6.322 50 0 IKAARN CN1c2ccccc2C(C)(C)/C1=C1/C=NN(c2ccccc2)[P@]1(=O)N1CCCCCC1 ZINC000012524648 569304530 /nfs/dbraw/zinc/30/45/30/569304530.db2.gz VJDGURYMBYYUJH-KGLNQKBNSA-N 0 0 434.524 6.201 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)CCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002448939 569304667 /nfs/dbraw/zinc/30/46/67/569304667.db2.gz XMTAUNGESJSRES-IBGZPJMESA-N 0 0 449.558 5.215 50 0 IKAARN 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 ZINC000012657471 569304677 /nfs/dbraw/zinc/30/46/77/569304677.db2.gz XDVHIXRJLWUKRR-AHOYVFNOSA-N 0 0 440.624 6.136 50 0 biogenic IKAARN CCCNC(=O)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000002449052 569304692 /nfs/dbraw/zinc/30/46/92/569304692.db2.gz INLJYPKMGZDYJT-UHFFFAOYSA-N 0 0 431.967 6.204 50 0 IKAARN 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 ZINC000012657478 569304693 /nfs/dbraw/zinc/30/46/93/569304693.db2.gz XDVHIXRJLWUKRR-AIJTYHBWSA-N 0 0 440.624 6.136 50 0 biogenic IKAARN 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 ZINC000012659595 569304715 /nfs/dbraw/zinc/30/47/15/569304715.db2.gz AYNSZTKDERUHKJ-XNZWNJJHSA-N 0 0 431.620 5.198 50 0 biogenic IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC ZINC000002450215 569304791 /nfs/dbraw/zinc/30/47/91/569304791.db2.gz UDAVQNQNNVZDPH-UHFFFAOYSA-N 0 0 436.625 5.864 50 0 IKAARN Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000002450128 569304800 /nfs/dbraw/zinc/30/48/00/569304800.db2.gz JGMZPARQWRTBOE-VWLOTQADSA-N 0 0 447.604 6.050 50 0 IKAARN O=C([O-])[C@H]1CCC[N@H+](CCO[C@H](c2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000082048293 569304823 /nfs/dbraw/zinc/30/48/23/569304823.db2.gz JKIRRUZTMFSVDW-FXAWDEMLSA-N 0 0 441.877 5.261 50 0 IKAARN Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(Sc2ccc(C(C)(C)C)cc2)n1 ZINC000012955609 569305172 /nfs/dbraw/zinc/30/51/72/569305172.db2.gz IMMCUYPGYDBQPZ-NDEPHWFRSA-N 0 0 431.026 6.195 50 0 IKAARN COc1ccc(Sc2nc(SCc3ccccc3)nc3c4ccccc4sc32)cc1 ZINC000012952341 569305207 /nfs/dbraw/zinc/30/52/07/569305207.db2.gz FSGGNTKQOJPSKL-UHFFFAOYSA-N 0 0 446.622 7.297 50 0 IKAARN Cc1cc(C)c2c(n1)sc1c2nc(SCc2ccc(Cl)cc2)nc1NC(C)C ZINC000012954167 569305215 /nfs/dbraw/zinc/30/52/15/569305215.db2.gz WWLOTVVGJGKUGN-UHFFFAOYSA-N 0 0 429.014 6.622 50 0 IKAARN COC(=O)c1ccccc1Sc1cc(Sc2ccc(C)cc2)nc(-c2ccccc2)n1 ZINC000012955137 569305233 /nfs/dbraw/zinc/30/52/33/569305233.db2.gz JYJMTPBDWSJGPG-UHFFFAOYSA-N 0 0 444.581 6.541 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002452805 569305314 /nfs/dbraw/zinc/30/53/14/569305314.db2.gz SHZWJBLDCHIKFP-UHFFFAOYSA-N 0 0 428.989 5.647 50 0 IKAARN FC(F)(F)c1cccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000012956735 569305326 /nfs/dbraw/zinc/30/53/26/569305326.db2.gz AKVIBDCRVYWNDO-UHFFFAOYSA-N 0 0 445.790 6.942 50 0 IKAARN O=S(=O)(CO[C@H]1c2ccccc2OC/C1=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000012959356 569305436 /nfs/dbraw/zinc/30/54/36/569305436.db2.gz OFFNSXCBNITLCT-NLMIPJBGSA-N 0 0 426.921 5.305 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(-c3cc4c(s3)-c3ccccc3CC4)o2)c1 ZINC000012960731 569305438 /nfs/dbraw/zinc/30/54/38/569305438.db2.gz OLRUBMARPOTYIM-UHFFFAOYSA-N 0 0 444.503 6.875 50 0 IKAARN FC(F)(F)c1cnc(-n2nccc2-c2ccc(Sc3ccccc3)cc2)c(Cl)c1 ZINC000012960468 569305452 /nfs/dbraw/zinc/30/54/52/569305452.db2.gz UIQPGJOKERPXRL-UHFFFAOYSA-N 0 0 431.870 6.758 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000002451420 569305533 /nfs/dbraw/zinc/30/55/33/569305533.db2.gz MDLGLGNNFHREKN-UHFFFAOYSA-N 0 0 431.565 5.152 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 ZINC000002451308 569305578 /nfs/dbraw/zinc/30/55/78/569305578.db2.gz MELNCSQLWODLBZ-NDEPHWFRSA-N 0 0 449.566 6.192 50 0 IKAARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(Br)cc1 ZINC000012992982 569306064 /nfs/dbraw/zinc/30/60/64/569306064.db2.gz KGASGFCTCOURFQ-UHFFFAOYSA-N 0 0 425.330 5.076 50 0 IKAARN Cc1oc2nc(SCC(=O)Nc3ccccc3C)nc(NC(=O)c3ccccc3)c2c1C ZINC000013002866 569306125 /nfs/dbraw/zinc/30/61/25/569306125.db2.gz KSMICRPQAVTVQO-UHFFFAOYSA-N 0 0 446.532 5.131 50 0 IKAARN CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)CCc2ccc(OC(F)F)cc2)n1 ZINC000013002524 569306164 /nfs/dbraw/zinc/30/61/64/569306164.db2.gz YZTSLDJJCBSDJD-UHFFFAOYSA-N 0 0 449.454 5.080 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000002454052 569306325 /nfs/dbraw/zinc/30/63/25/569306325.db2.gz XUMIDKJPOIZLDS-LJQANCHMSA-N 0 0 428.355 5.026 50 0 IKAARN Clc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1 ZINC000002453973 569306328 /nfs/dbraw/zinc/30/63/28/569306328.db2.gz IFJXAAFVTCMOFO-UHFFFAOYSA-N 0 0 446.790 7.187 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc(OC)c1 ZINC000013010333 569306668 /nfs/dbraw/zinc/30/66/68/569306668.db2.gz UTSVWQLRRXYJRL-UHFFFAOYSA-N 0 0 434.970 5.287 50 0 IKAARN CCOc1ccc(NC(=O)Cc2csc(SCc3cc(OC)cc(OC)c3)n2)cc1 ZINC000013010343 569306850 /nfs/dbraw/zinc/30/68/50/569306850.db2.gz PDCGFSPSLCAWSD-UHFFFAOYSA-N 0 0 444.578 5.033 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc(OC)c1 ZINC000013010353 569306889 /nfs/dbraw/zinc/30/68/89/569306889.db2.gz BYRPEZKGAJSMOU-UHFFFAOYSA-N 0 0 428.579 5.251 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)n1 ZINC000013010499 569306905 /nfs/dbraw/zinc/30/69/05/569306905.db2.gz DNXFOXQCHGTOLA-OAHLLOKOSA-N 0 0 439.972 5.836 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013016747 569307129 /nfs/dbraw/zinc/30/71/29/569307129.db2.gz ZVGZNZDESKGHCG-ALOPSCKCSA-N 0 0 429.607 5.205 50 0 IKAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000013016561 569307140 /nfs/dbraw/zinc/30/71/40/569307140.db2.gz LNNAWSIYHVAWSZ-UHFFFAOYSA-N 0 0 428.463 5.084 50 0 IKAARN Cc1cc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)c(C)n1C1CC1 ZINC000013015588 569307157 /nfs/dbraw/zinc/30/71/57/569307157.db2.gz AMQLCDUVHZZTGO-AYHJJNSGSA-N 0 0 433.639 5.168 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)Nc1ccc(C(C)=O)cc1)cc2-c1ccccc1 ZINC000013018117 569307276 /nfs/dbraw/zinc/30/72/76/569307276.db2.gz ZZRVFGGMETUBNL-UHFFFAOYSA-N 0 0 442.540 5.844 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2Br)cc1 ZINC000013027684 569307346 /nfs/dbraw/zinc/30/73/46/569307346.db2.gz WZYLFTPIYBICKV-QFIPXVFZSA-N 0 0 435.321 5.449 50 0 IKAARN COc1cc2c(cc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)oc1ccccc12 ZINC000013038052 569307722 /nfs/dbraw/zinc/30/77/22/569307722.db2.gz ISAXJVRSOQMEOV-UHFFFAOYSA-N 0 0 443.330 5.972 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000013039583 569307930 /nfs/dbraw/zinc/30/79/30/569307930.db2.gz FGGUQPORRZOLOW-QHCPKHFHSA-N 0 0 426.604 7.164 50 0 IKAARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000013040964 569308158 /nfs/dbraw/zinc/30/81/58/569308158.db2.gz WQDKGTKKBBSGFI-ZDUSSCGKSA-N 0 0 433.426 5.515 50 0 IKAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000013057980 569308387 /nfs/dbraw/zinc/30/83/87/569308387.db2.gz SFQXBSKKJIJKTA-KRWDZBQOSA-N 0 0 427.375 5.720 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000013057104 569308402 /nfs/dbraw/zinc/30/84/02/569308402.db2.gz RQIZSHRBFCRCBE-GASCZTMLSA-N 0 0 434.989 5.162 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000013057752 569308431 /nfs/dbraw/zinc/30/84/31/569308431.db2.gz QNTJNBUWKYFDRN-UHFFFAOYSA-N 0 0 434.970 5.312 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccccc1Cl)CC2 ZINC000013060638 569308526 /nfs/dbraw/zinc/30/85/26/569308526.db2.gz MFGFXTCYMVFBKM-HSZRJFAPSA-N 0 0 442.968 5.005 50 0 IKAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1c2ccccc2CCc2ccccc21 ZINC000013062961 569308649 /nfs/dbraw/zinc/30/86/49/569308649.db2.gz WNZPEDVXQAXHGR-UHFFFAOYSA-N 0 0 435.527 5.200 50 0 IKAARN CN(Cc1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013068811 569308940 /nfs/dbraw/zinc/30/89/40/569308940.db2.gz TURVVGRYOJHXBG-NRFANRHFSA-N 0 0 432.873 6.171 50 0 IKAARN CN(Cc1ccccc1Cl)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000013073792 569309072 /nfs/dbraw/zinc/30/90/72/569309072.db2.gz SYFXLMYJFPZARP-UHFFFAOYSA-N 0 0 438.959 5.952 50 0 IKAARN CCn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)Cc2ccc(F)cc2)c1=S ZINC000013073105 569309081 /nfs/dbraw/zinc/30/90/81/569309081.db2.gz GLCJPPBJSNNGND-UHFFFAOYSA-N 0 0 425.360 5.636 50 0 IKAARN FC(F)Oc1ccc(-c2nnc(SCCSc3cc(Cl)ccc3Cl)o2)cc1 ZINC000013074698 569309220 /nfs/dbraw/zinc/30/92/20/569309220.db2.gz ABTPWHFGQOOQKC-UHFFFAOYSA-N 0 0 449.331 6.529 50 0 IKAARN c1nnc(-c2ccc(Oc3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)cc2)o1 ZINC000013074531 569309241 /nfs/dbraw/zinc/30/92/41/569309241.db2.gz QYGHCHGPUXCDII-UHFFFAOYSA-N 0 0 449.495 6.263 50 0 IKAARN CCCCCCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000013075846 569309267 /nfs/dbraw/zinc/30/92/67/569309267.db2.gz PVKCOKFRMIJKAF-CQSZACIVSA-N 0 0 435.515 6.153 50 0 IKAARN Cc1csc(SCc2ccccc2C(=O)OCc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000013076233 569309347 /nfs/dbraw/zinc/30/93/47/569309347.db2.gz LKUWGFSZKDPCHL-UHFFFAOYSA-N 0 0 445.434 5.796 50 0 IKAARN C[C@@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013076272 569309367 /nfs/dbraw/zinc/30/93/67/569309367.db2.gz VIUBDRVKUHDDJW-GFCCVEGCSA-N 0 0 435.332 5.230 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccccc2C(F)(F)F)c(C)n1Cc1ccccc1Cl ZINC000013095966 569309481 /nfs/dbraw/zinc/30/94/81/569309481.db2.gz NLEDVYQBQTYSJB-UHFFFAOYSA-N 0 0 449.856 5.865 50 0 IKAARN Cc1cc(SCC(=O)O[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nc2ccccc12 ZINC000013095477 569309483 /nfs/dbraw/zinc/30/94/83/569309483.db2.gz SYPJGEHARICQOP-AWEZNQCLSA-N 0 0 431.460 5.051 50 0 IKAARN COc1ccc(CN(C)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 ZINC000013095404 569309490 /nfs/dbraw/zinc/30/94/90/569309490.db2.gz RYSJRKBGPQEZEY-UHFFFAOYSA-N 0 0 447.575 5.853 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1OCC ZINC000013096478 569309610 /nfs/dbraw/zinc/30/96/10/569309610.db2.gz IWFWAZWCHLGXSD-UHFFFAOYSA-N 0 0 446.591 7.063 50 0 IKAARN COc1cc(CN(C)c2nc(-c3cccs3)nc3ccccc32)ccc1OC(F)F ZINC000013097016 569309617 /nfs/dbraw/zinc/30/96/17/569309617.db2.gz VATYNGLIYOOUBB-UHFFFAOYSA-N 0 0 427.476 5.605 50 0 IKAARN CCOC(=O)Cc1csc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1 ZINC000013097475 569309815 /nfs/dbraw/zinc/30/98/15/569309815.db2.gz DRRSDEYGGIDOST-JOCHJYFZSA-N 0 0 425.575 5.582 50 0 IKAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000013098252 569309923 /nfs/dbraw/zinc/30/99/23/569309923.db2.gz CGGMQWVLTLGWLK-UHFFFAOYSA-N 0 0 439.393 5.856 50 0 IKAARN CC(C)[C@@H](C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000013098730 569309936 /nfs/dbraw/zinc/30/99/36/569309936.db2.gz PKGVFMYEOALGLD-OAHLLOKOSA-N 0 0 435.515 5.356 50 0 IKAARN C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)c1ccc(OC(F)F)cc1 ZINC000013100785 569309999 /nfs/dbraw/zinc/30/99/99/569309999.db2.gz RQMJWAIJTWHGEA-AWEZNQCLSA-N 0 0 429.444 5.262 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000013100422 569310006 /nfs/dbraw/zinc/31/00/06/569310006.db2.gz IRJCMNZBCHCYMB-UHFFFAOYSA-N 0 0 449.938 6.020 50 0 IKAARN COc1ccc([C@H](NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c2ccccc2)cc1 ZINC000013101942 569310048 /nfs/dbraw/zinc/31/00/48/569310048.db2.gz KDGXUNBHOGWWOB-XMMPIXPASA-N 0 0 432.520 5.406 50 0 IKAARN CCOc1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2F)cc1 ZINC000013108518 569310146 /nfs/dbraw/zinc/31/01/46/569310146.db2.gz WPLSGTWPYJCVJU-UHFFFAOYSA-N 0 0 439.943 6.418 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013108826 569310271 /nfs/dbraw/zinc/31/02/71/569310271.db2.gz HSHXDXDCZGHIRY-LJQANCHMSA-N 0 0 440.543 5.957 50 0 IKAARN CCCCCCn1nc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)c2ccccc2c1=O ZINC000013109750 569310356 /nfs/dbraw/zinc/31/03/56/569310356.db2.gz OXFBDOYZCSYMCA-UHFFFAOYSA-N 0 0 435.568 5.535 50 0 IKAARN CSc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1 ZINC000013110191 569310400 /nfs/dbraw/zinc/31/04/00/569310400.db2.gz OGCAWZOEWHNKTO-UHFFFAOYSA-N 0 0 446.981 5.139 50 0 IKAARN Cc1c(Cl)c(CSc2nnc(COc3ccccc3Cl)n2C)nc2ccccc12 ZINC000013112848 569310495 /nfs/dbraw/zinc/31/04/95/569310495.db2.gz SXUZABYWSGPYOH-UHFFFAOYSA-N 0 0 445.375 5.850 50 0 IKAARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013113051 569310543 /nfs/dbraw/zinc/31/05/43/569310543.db2.gz ZMXULJXAAZBIEN-QGZVFWFLSA-N 0 0 430.533 5.170 50 0 IKAARN O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)Nc1cccnc1Cl ZINC000013112521 569310550 /nfs/dbraw/zinc/31/05/50/569310550.db2.gz FJAJCHSBBXXRJA-UHFFFAOYSA-N 0 0 427.961 5.094 50 0 IKAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013112734 569310557 /nfs/dbraw/zinc/31/05/57/569310557.db2.gz HABSQTBOPPTDKU-UHFFFAOYSA-N 0 0 431.565 5.243 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 ZINC000013113074 569310661 /nfs/dbraw/zinc/31/06/61/569310661.db2.gz JRYOGFZPJRKEDU-ZIAGYGMSSA-N 0 0 425.485 5.502 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)C2CCCCC2)c(C)c1 ZINC000013114321 569310686 /nfs/dbraw/zinc/31/06/86/569310686.db2.gz YJJXCNCAMCYHDY-UHFFFAOYSA-N 0 0 449.016 5.227 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N(Cc1ccco1)C1=CCCCC1 ZINC000013115735 569310851 /nfs/dbraw/zinc/31/08/51/569310851.db2.gz ZYXYAPWLMDDIHD-UHFFFAOYSA-N 0 0 448.592 5.376 50 0 IKAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1cccc(Cl)c1 ZINC000013115780 569310918 /nfs/dbraw/zinc/31/09/18/569310918.db2.gz JCKBSBWDSVRXSO-CYBMUJFWSA-N 0 0 448.375 5.862 50 0 IKAARN COC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000013115638 569310923 /nfs/dbraw/zinc/31/09/23/569310923.db2.gz JMYIPRQNNLKCEK-AWEZNQCLSA-N 0 0 429.973 5.539 50 0 IKAARN C[C@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000013137816 569311667 /nfs/dbraw/zinc/31/16/67/569311667.db2.gz ZUAKENVMOJOSFB-INIZCTEOSA-N 0 0 440.594 5.567 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1C[C@H]1CCCO1 ZINC000013146227 569311887 /nfs/dbraw/zinc/31/18/87/569311887.db2.gz PDJRCCRBTCMSJU-HSZRJFAPSA-N 0 0 433.504 5.116 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2n1 ZINC000013149144 569312156 /nfs/dbraw/zinc/31/21/56/569312156.db2.gz CGSWKXMNVBFRHB-UHFFFAOYSA-N 0 0 430.118 6.174 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2n1 ZINC000013148689 569312163 /nfs/dbraw/zinc/31/21/63/569312163.db2.gz GRQOQZIFTXOJCV-UHFFFAOYSA-N 0 0 429.225 5.886 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(Cl)ccc(C)c3Cl)c2n1 ZINC000013149715 569312261 /nfs/dbraw/zinc/31/22/61/569312261.db2.gz GRYXZMHWZLTJDV-UHFFFAOYSA-N 0 0 444.145 6.483 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1ccc(Cl)cc1 ZINC000013283328 569312590 /nfs/dbraw/zinc/31/25/90/569312590.db2.gz VBXPOPUXUDRRAK-UHFFFAOYSA-N 0 0 434.996 5.966 50 0 IKAARN COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013284022 569312702 /nfs/dbraw/zinc/31/27/02/569312702.db2.gz LOMYSYLZMYLOKK-UHFFFAOYSA-N 0 0 441.862 5.284 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccncc1)C(=S)NCc1ccccc1 ZINC000013283386 569312743 /nfs/dbraw/zinc/31/27/43/569312743.db2.gz BWHTYTMXKVWLPE-UHFFFAOYSA-N 0 0 449.023 5.644 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)Nc3ccc(F)cc3)c2c1 ZINC000013283415 569312746 /nfs/dbraw/zinc/31/27/46/569312746.db2.gz HLISVGPLUKOQNU-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1F ZINC000013304464 569312837 /nfs/dbraw/zinc/31/28/37/569312837.db2.gz NJYZHENGFYCVLU-IKBKFCNISA-N 0 0 432.262 7.991 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002456701 569312931 /nfs/dbraw/zinc/31/29/31/569312931.db2.gz BDBLBWZNFTWIBV-NRFANRHFSA-N 0 0 428.385 5.028 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000013346731 569312959 /nfs/dbraw/zinc/31/29/59/569312959.db2.gz LZMXYMAZHXXKJL-UHFFFAOYSA-N 0 0 431.467 5.724 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc2ccccc21 ZINC000013348343 569313062 /nfs/dbraw/zinc/31/30/62/569313062.db2.gz OXNWHHQZMNPHGV-UHFFFAOYSA-N 0 0 442.519 5.257 50 0 IKAARN COC(=O)c1sccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000013346847 569313066 /nfs/dbraw/zinc/31/30/66/569313066.db2.gz TZMZZNPWBDGTEE-UHFFFAOYSA-N 0 0 443.937 6.109 50 0 IKAARN COCCCNc1c(-c2cccc(Br)c2)nc2sc3cc(OC)ccc3n21 ZINC000013347366 569313078 /nfs/dbraw/zinc/31/30/78/569313078.db2.gz KYAVEEPSECILOQ-UHFFFAOYSA-N 0 0 446.370 5.436 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)NCc3cccc(OC)c3)cc2)nc2ccccc21 ZINC000013348352 569313081 /nfs/dbraw/zinc/31/30/81/569313081.db2.gz LLCWTPHYVIYSOE-UHFFFAOYSA-N 0 0 428.536 5.172 50 0 IKAARN CC(C)c1ccc(-c2nc3sc(N4CCN(C)CC4)nn3c2NC2CCCCC2)cc1 ZINC000013347111 569313087 /nfs/dbraw/zinc/31/30/87/569313087.db2.gz FXVUXSFPWSZRJJ-UHFFFAOYSA-N 0 0 438.645 5.078 50 0 IKAARN CCOC(=O)C[C@@H](NC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1)c1ccccc1 ZINC000013351411 569313337 /nfs/dbraw/zinc/31/33/37/569313337.db2.gz NDZQZVSQCZMCJG-HSZRJFAPSA-N 0 0 427.504 5.651 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000013353949 569313403 /nfs/dbraw/zinc/31/34/03/569313403.db2.gz HPNJAQSWGLYULC-UHFFFAOYSA-N 0 0 438.553 5.776 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)cc1Cl ZINC000013355993 569313644 /nfs/dbraw/zinc/31/36/44/569313644.db2.gz FPGVBADBPJWBIM-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000013358324 569313755 /nfs/dbraw/zinc/31/37/55/569313755.db2.gz ARBJQIBXZZQAOI-UHFFFAOYSA-N 0 0 428.448 5.224 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cccc(C)c4C)ccc32)cc1 ZINC000013359585 569313897 /nfs/dbraw/zinc/31/38/97/569313897.db2.gz AAMMIKLWOYTUEP-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(SCc2nc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000013360907 569313952 /nfs/dbraw/zinc/31/39/52/569313952.db2.gz ALSWRYIVRNMEHU-UHFFFAOYSA-N 0 0 445.544 5.093 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1 ZINC000013361116 569313959 /nfs/dbraw/zinc/31/39/59/569313959.db2.gz GVYPMGQIJAMNAP-UHFFFAOYSA-N 0 0 430.533 5.422 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(SCc3nc4cc(C)c(C)cc4[nH]c3=O)cc2)c1 ZINC000013360910 569313971 /nfs/dbraw/zinc/31/39/71/569313971.db2.gz CCQWXXYNOLQBKY-UHFFFAOYSA-N 0 0 429.545 5.393 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccc(F)cc4)cc3)c(=O)[nH]c2cc1C ZINC000013360932 569314000 /nfs/dbraw/zinc/31/40/00/569314000.db2.gz JBEIJRPNNCRQPV-UHFFFAOYSA-N 0 0 433.508 5.224 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)n2)c(C)c1 ZINC000013360682 569314040 /nfs/dbraw/zinc/31/40/40/569314040.db2.gz YBCARJPYXOAHOJ-UHFFFAOYSA-N 0 0 438.936 6.080 50 0 IKAARN CCc1sc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)nc1-c1ccc(C)c(C)c1 ZINC000013363375 569314160 /nfs/dbraw/zinc/31/41/60/569314160.db2.gz ZWMNOQSTECQAMQ-UHFFFAOYSA-N 0 0 449.576 5.085 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC000013367064 569314348 /nfs/dbraw/zinc/31/43/48/569314348.db2.gz ALQVMLNQOZVYSK-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN C[C@H](NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)C12CC3CC(CC(C3)C1)C2 ZINC000013369063 569314736 /nfs/dbraw/zinc/31/47/36/569314736.db2.gz BQKLNYKKGVCIET-AWYKWWOESA-N 0 0 448.010 6.078 50 0 IKAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369208 569314764 /nfs/dbraw/zinc/31/47/64/569314764.db2.gz FHGDRPSRBIGOCT-OAHLLOKOSA-N 0 0 433.895 5.328 50 0 IKAARN CCN(CC)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 ZINC000013369053 569314773 /nfs/dbraw/zinc/31/47/73/569314773.db2.gz XLZZGBXLSHEJSS-UHFFFAOYSA-N 0 0 446.982 6.150 50 0 IKAARN CC[C@@H](C(=O)NC[C@@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369397 569314828 /nfs/dbraw/zinc/31/48/28/569314828.db2.gz BROOFPXSUTYWNK-JPYJTQIMSA-N 0 0 431.967 6.228 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369222 569314829 /nfs/dbraw/zinc/31/48/29/569314829.db2.gz PGQLHFSXXHVBJF-RTBURBONSA-N 0 0 431.967 6.055 50 0 IKAARN O=C(c1ccccc1F)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369848 569314847 /nfs/dbraw/zinc/31/48/47/569314847.db2.gz ZCQWJUGFSAQAQS-GGAORHGYSA-N 0 0 444.554 5.963 50 0 biogenic IKAARN CC(C)c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1Cl ZINC000013370068 569314871 /nfs/dbraw/zinc/31/48/71/569314871.db2.gz CLYAUPIACSORTH-QUCCMNQESA-N 0 0 426.992 5.934 50 0 biogenic IKAARN O=C(c1cccs1)N1c2nc(-c3cccnc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370151 569314911 /nfs/dbraw/zinc/31/49/11/569314911.db2.gz IWDYKKRCOIMYPR-MOPGFXCFSA-N 0 0 433.581 5.280 50 0 biogenic IKAARN O=C(C1CCCCC1)N1c2nc(-c3cccnc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370155 569314923 /nfs/dbraw/zinc/31/49/23/569314923.db2.gz GGDWGESOSSDRQO-YADHBBJMSA-N 0 0 433.600 5.485 50 0 biogenic IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccs2)N(C(=O)Nc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000013370195 569314967 /nfs/dbraw/zinc/31/49/67/569314967.db2.gz MZAHZEFOVMXBTQ-GOFCXKROSA-N 0 0 445.009 6.634 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccs2)N(C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 ZINC000013370210 569314988 /nfs/dbraw/zinc/31/49/88/569314988.db2.gz AZZUBGUBMVLWKZ-UWSKWSKGSA-N 0 0 438.618 5.701 50 0 IKAARN O=C(c1ccccc1)N1c2nc(-c3ccc(F)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375899 569315200 /nfs/dbraw/zinc/31/52/00/569315200.db2.gz WYMZSRAVFAEMTH-PKTZIBPZSA-N 0 0 444.554 5.963 50 0 biogenic IKAARN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000078612861 569316505 /nfs/dbraw/zinc/31/65/05/569316505.db2.gz CNXQHMHSMGANQN-UHFFFAOYSA-N 0 0 431.323 5.007 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000328589523 569316686 /nfs/dbraw/zinc/31/66/86/569316686.db2.gz CQVKRESASDDATA-SANMLTNESA-N 0 0 439.486 5.881 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](c3nc(Cc4cccnc4)no3)[C@@H]2c2cccs2)cc1 ZINC000328590499 569316820 /nfs/dbraw/zinc/31/68/20/569316820.db2.gz QSXGHVAJSHVUSP-AUSIDOKSSA-N 0 0 430.533 5.077 50 0 IKAARN COc1ccc(-c2nnc(SCc3oc(C)nc3C)n2-c2ccc(Cl)cc2)cc1 ZINC000328595675 569317737 /nfs/dbraw/zinc/31/77/37/569317737.db2.gz AAGHXFDVJGPLAT-UHFFFAOYSA-N 0 0 426.929 5.493 50 0 IKAARN C[C@@H]1CN(CC2(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596145 569317811 /nfs/dbraw/zinc/31/78/11/569317811.db2.gz VBNMDIBAJVSUIU-PVTAMDAMSA-N 0 0 446.682 5.204 50 0 IKAARN CC1(C)CN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)[C@@H]1c1ccncc1 ZINC000328595907 569317839 /nfs/dbraw/zinc/31/78/39/569317839.db2.gz JUABUPYOVXTCPS-LJQANCHMSA-N 0 0 425.323 5.081 50 0 IKAARN C[C@@H]1CN(CC2(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596147 569317902 /nfs/dbraw/zinc/31/79/02/569317902.db2.gz VBNMDIBAJVSUIU-ZIIYYELXSA-N 0 0 446.682 5.204 50 0 IKAARN COc1cccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)c3ccco3)c(Cl)nc21 ZINC000328597205 569317989 /nfs/dbraw/zinc/31/79/89/569317989.db2.gz FSGRKYNODRDVQV-FQEVSTJZSA-N 0 0 445.906 5.790 50 0 IKAARN COc1cccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)c3ccco3)c(Cl)nc21 ZINC000328597206 569318002 /nfs/dbraw/zinc/31/80/02/569318002.db2.gz FSGRKYNODRDVQV-HXUWFJFHSA-N 0 0 445.906 5.790 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@H](C)c1nc2ccccc2s1 ZINC000078714290 569318386 /nfs/dbraw/zinc/31/83/86/569318386.db2.gz QAKDCYSIGYZERQ-AWEZNQCLSA-N 0 0 437.590 5.727 50 0 IKAARN Cc1ccc(CN2CCN(Cc3ccccc3F)[C@@H]2c2c(Cl)cccc2Cl)cc1 ZINC000019330483 569318405 /nfs/dbraw/zinc/31/84/05/569318405.db2.gz DURGIYVNOYZOPI-XMMPIXPASA-N 0 0 429.366 6.458 50 0 IKAARN CSc1ccc([C@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019330451 569318435 /nfs/dbraw/zinc/31/84/35/569318435.db2.gz XVFVTXKBAKENKF-XMMPIXPASA-N 0 0 426.988 6.218 50 0 IKAARN COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)c1 ZINC000019330632 569318565 /nfs/dbraw/zinc/31/85/65/569318565.db2.gz SUCHSGZXWIRZGF-VWLOTQADSA-N 0 0 441.402 6.409 50 0 IKAARN Fc1ccc([C@@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c(Cl)c1 ZINC000019330555 569318598 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ZINC000020321190 569360267 /nfs/dbraw/zinc/36/02/67/569360267.db2.gz JBGPHVGNJWCOMD-UHFFFAOYSA-N 0 0 445.769 6.735 50 0 IKAARN CCOc1ccc(-c2cc(CCCC(=O)Nc3ccc(Br)cc3)no2)cc1 ZINC000020324382 569360363 /nfs/dbraw/zinc/36/03/63/569360363.db2.gz QHXXMYQIECPQJS-UHFFFAOYSA-N 0 0 429.314 5.464 50 0 IKAARN Cc1ccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccccc3Cl)c2=O)cc1 ZINC000020354862 569361072 /nfs/dbraw/zinc/36/10/72/569361072.db2.gz IMBGDZJKFBOQAA-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN Cc1ccc(C)c(Cn2c3c4ccccc4sc3c(=O)n(-c3ccccc3Cl)c2=O)c1 ZINC000020354864 569361087 /nfs/dbraw/zinc/36/10/87/569361087.db2.gz SZHUZCKCOLGDQI-UHFFFAOYSA-N 0 0 446.959 5.686 50 0 IKAARN Cc1ccccc1Cn1c2c3ccccc3sc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000020354879 569361101 /nfs/dbraw/zinc/36/11/01/569361101.db2.gz QDXKBHUWYOPZIP-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3NC2=O)c1 ZINC000020355284 569361252 /nfs/dbraw/zinc/36/12/52/569361252.db2.gz VFCLEKPISQOCAY-DUYBAWCLSA-N 0 0 442.584 5.831 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3NC2=O)c1 ZINC000020355295 569361255 /nfs/dbraw/zinc/36/12/55/569361255.db2.gz XLKLPUKQSBZBNV-WSDLNYQXSA-N 0 0 434.948 5.664 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)cc1 ZINC000020355345 569361308 /nfs/dbraw/zinc/36/13/08/569361308.db2.gz LMLYEIRLVYCFFM-YDZHTSKRSA-N 0 0 430.529 5.019 50 0 IKAARN C[C@]12CC3CC(OCCNC(=O)c4cc5c(s4)-c4ccccc4OC5)(C1)C[C@@](C)(C3)C2 ZINC000020355785 569361339 /nfs/dbraw/zinc/36/13/39/569361339.db2.gz YFHWBNCKJOTXLJ-AFKVYGCLSA-N 0 0 437.605 5.803 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NC[C@H](C)c4ccccc4)cc3NC2=O)cc1 ZINC000020355353 569361368 /nfs/dbraw/zinc/36/13/68/569361368.db2.gz SWWLVAFSIVBMDO-MAKCPWPFSA-N 0 0 428.557 5.614 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000020355351 569361374 /nfs/dbraw/zinc/36/13/74/569361374.db2.gz FLFGMHLXODWMON-YDZHTSKRSA-N 0 0 430.529 5.019 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)c2ccccc2C(F)(F)F)nc1-c1ccccc1 ZINC000095348658 569361547 /nfs/dbraw/zinc/36/15/47/569361547.db2.gz YVOOYIFIBIBBKL-UHFFFAOYSA-N 0 0 428.439 5.482 50 0 IKAARN O=S(=O)(Cc1cccc(C(F)(F)F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000095349210 569361660 /nfs/dbraw/zinc/36/16/60/569361660.db2.gz IPWVLQBGBOQHJP-UHFFFAOYSA-N 0 0 426.406 5.688 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCN(C)C2CCCCC2)c1C(=O)[O-] ZINC000020379374 569362515 /nfs/dbraw/zinc/36/25/15/569362515.db2.gz ATMNXUJRGWPSGB-UHFFFAOYSA-N 0 0 433.596 5.050 50 0 IKAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(C)cc3)c2c1 ZINC000020382422 569362647 /nfs/dbraw/zinc/36/26/47/569362647.db2.gz KPTZJDSRQYQWFY-UHFFFAOYSA-N 0 0 430.573 5.859 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCCC3)c2c1 ZINC000020381560 569362661 /nfs/dbraw/zinc/36/26/61/569362661.db2.gz BJBRTZREDYEMHZ-UHFFFAOYSA-N 0 0 430.957 5.110 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(C)cc3)c2c1 ZINC000020382430 569362676 /nfs/dbraw/zinc/36/26/76/569362676.db2.gz ALRHMKZGRDQMTR-UHFFFAOYSA-N 0 0 446.572 5.695 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(F)cc3)c2c1 ZINC000020382486 569362759 /nfs/dbraw/zinc/36/27/59/569362759.db2.gz QUMNYGSFLRYCSD-UHFFFAOYSA-N 0 0 436.508 5.136 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(F)cc3)c2c1 ZINC000020382470 569362760 /nfs/dbraw/zinc/36/27/60/569362760.db2.gz MUNTXHMUEPXKQR-UHFFFAOYSA-N 0 0 436.508 5.218 50 0 IKAARN CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(OC)cc3)c2c1 ZINC000020382522 569362765 /nfs/dbraw/zinc/36/27/65/569362765.db2.gz ORUSJUBCNPZQNM-UHFFFAOYSA-N 0 0 432.545 5.251 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)sc2c1 ZINC000020383469 569362770 /nfs/dbraw/zinc/36/27/70/569362770.db2.gz OAPDSAHCFJJBSM-CQSZACIVSA-N 0 0 449.498 5.569 50 0 IKAARN CCCNc1oc(Cc2cccc3ccccc32)nc1P(=O)(OCCC)OCCC ZINC000080345686 569362784 /nfs/dbraw/zinc/36/27/84/569362784.db2.gz IMDJAAWLZGLXPR-UHFFFAOYSA-N 0 0 430.485 5.912 50 0 IKAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)nc2c(C)c1 ZINC000020383929 569362892 /nfs/dbraw/zinc/36/28/92/569362892.db2.gz NSGZWWYMTCPXRY-FQEVSTJZSA-N 0 0 437.609 5.233 50 0 IKAARN Cc1ccc(CNC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)cc1 ZINC000020385615 569363012 /nfs/dbraw/zinc/36/30/12/569363012.db2.gz CBISICXFGDULOW-UHFFFAOYSA-N 0 0 431.561 5.264 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4ccc(C)cc4C)cc32)cc1 ZINC000020385639 569363026 /nfs/dbraw/zinc/36/30/26/569363026.db2.gz FSJGQAYGTUAWTB-UHFFFAOYSA-N 0 0 431.561 5.895 50 0 IKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020386949 569363141 /nfs/dbraw/zinc/36/31/41/569363141.db2.gz LTTLICYLDIHHSC-KMRXNPHXSA-N 0 0 432.608 5.304 50 0 IKAARN Cc1sc(-n2cccc2)c([C@@H](C)NC(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000020386480 569363149 /nfs/dbraw/zinc/36/31/49/569363149.db2.gz KOLNKQBWWRQGCS-CQSZACIVSA-N 0 0 432.387 6.109 50 0 IKAARN C[C@@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020386526 569363150 /nfs/dbraw/zinc/36/31/50/569363150.db2.gz USEVJXUDAHBZHA-YKAGIRRDSA-N 0 0 430.342 5.150 50 0 IKAARN COc1cccc(CSc2nc3ccncc3n2Cc2cccc(C(F)(F)F)c2)c1 ZINC000020388902 569363299 /nfs/dbraw/zinc/36/32/99/569363299.db2.gz XQUPBFAUFPGQQO-UHFFFAOYSA-N 0 0 429.467 5.799 50 0 IKAARN C1CC1c1nc2sc3c(c2c(N2CCCC[C@@H]2c2nnc4n2CCCC4)n1)CCCC3 ZINC000095393715 569363516 /nfs/dbraw/zinc/36/35/16/569363516.db2.gz PIGKIRVLGDZJPZ-QGZVFWFLSA-N 0 0 434.613 5.107 50 0 IKAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000020405383 569363675 /nfs/dbraw/zinc/36/36/75/569363675.db2.gz FOKJNZRLRCXIIV-OAQYLSRUSA-N 0 0 446.330 5.145 50 0 IKAARN O=C(c1ccc(F)cc1)c1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1 ZINC000095398705 569363714 /nfs/dbraw/zinc/36/37/14/569363714.db2.gz SQNRGENUCZQJAL-UHFFFAOYSA-N 0 0 439.368 5.720 50 0 IKAARN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cc(Cl)ccc1F ZINC000095401701 569364041 /nfs/dbraw/zinc/36/40/41/569364041.db2.gz TUCIJYGPMSDSKY-UHFFFAOYSA-N 0 0 439.893 6.777 50 0 IKAARN CC[C@H](C)[C@@H](N)C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000020411940 569364189 /nfs/dbraw/zinc/36/41/89/569364189.db2.gz FRDOVDLKLQQWCJ-JEOXALJRSA-N 0 0 436.291 5.171 50 0 biogenic IKAARN Cc1ccc(NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)c(C)c1 ZINC000020415063 569364282 /nfs/dbraw/zinc/36/42/82/569364282.db2.gz NCPVBZXREOJZIH-UHFFFAOYSA-N 0 0 434.540 5.456 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)[C@@H]1C ZINC000020415109 569364294 /nfs/dbraw/zinc/36/42/94/569364294.db2.gz LMGHQHYNGFHAHX-RKVPGOIHSA-N 0 0 440.588 5.141 50 0 IKAARN C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc2S1 ZINC000020414124 569364332 /nfs/dbraw/zinc/36/43/32/569364332.db2.gz LPFVSQHZSVGKTA-INIZCTEOSA-N 0 0 435.524 5.288 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc3ccncc3n2Cc2cccc(Cl)c2)c1 ZINC000020415478 569364447 /nfs/dbraw/zinc/36/44/47/569364447.db2.gz JLVUAEAOYDIGIH-UHFFFAOYSA-N 0 0 433.886 6.444 50 0 IKAARN Cc1[nH]c([C@H]2CCCN2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)nc1-c1ccccc1 ZINC000095408500 569364837 /nfs/dbraw/zinc/36/48/37/569364837.db2.gz PLBQUNFDMQAMCO-OAQYLSRUSA-N 0 0 429.524 5.103 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(F)cc1)O3 ZINC000020418198 569365231 /nfs/dbraw/zinc/36/52/31/569365231.db2.gz SWFCTCQMRRKXCF-HHHXNRCGSA-N 0 0 443.474 6.322 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000020436338 569365485 /nfs/dbraw/zinc/36/54/85/569365485.db2.gz WZLDLTPVRFYJGL-UHFFFAOYSA-N 0 0 425.884 6.945 50 0 IKAARN CCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccc(C)cc1 ZINC000020438967 569365505 /nfs/dbraw/zinc/36/55/05/569365505.db2.gz PNTNCRPXNGLSFM-MOHJPFBDSA-N 0 0 431.580 5.389 50 0 IKAARN CCn1cc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N2CCCCCC2)c2ccccc21 ZINC000020438991 569365577 /nfs/dbraw/zinc/36/55/77/569365577.db2.gz FQYMKULEJSILDM-MOHJPFBDSA-N 0 0 429.564 5.143 50 0 IKAARN CCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1OC ZINC000020439042 569365773 /nfs/dbraw/zinc/36/57/73/569365773.db2.gz ROZGRQXZSAWRBV-NKFKGCMQSA-N 0 0 447.579 5.089 50 0 IKAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccccc1OC ZINC000095436500 569366553 /nfs/dbraw/zinc/36/65/53/569366553.db2.gz KISBGDCWVGIFRI-URXFXBBRSA-N 0 0 447.535 5.069 50 0 IKAARN Cc1cc(C(=O)NCCc2csc(-c3ccccc3Cl)n2)c2cnn(C(C)C)c2n1 ZINC000095443902 569366832 /nfs/dbraw/zinc/36/68/32/569366832.db2.gz CUTSNWNOFPVSTN-UHFFFAOYSA-N 0 0 439.972 5.070 50 0 IKAARN CC(C)[C@H](NC(=O)COC1CCCCC1)c1ccccc1NC(=O)COC1CCCCC1 ZINC000095443733 569366886 /nfs/dbraw/zinc/36/68/86/569366886.db2.gz INLDVBNOFPDKBE-SANMLTNESA-N 0 0 444.616 5.137 50 0 IKAARN O=C(Nc1c(Br)cccc1Br)c1csc(-c2cccs2)n1 ZINC000095444475 569366985 /nfs/dbraw/zinc/36/69/85/569366985.db2.gz ZBHLVOGZGMYAPQ-UHFFFAOYSA-N 0 0 444.173 5.649 50 0 IKAARN Cc1nn(C)c(NC(=O)N(C)[C@@H]2CCc3ccccc32)c1-c1ccc(Br)cc1 ZINC000095446408 569367348 /nfs/dbraw/zinc/36/73/48/569367348.db2.gz BNFAHTLCBMBBLI-LJQANCHMSA-N 0 0 439.357 5.309 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000095466270 569370940 /nfs/dbraw/zinc/37/09/40/569370940.db2.gz AWVBQSKVPMYOOO-UHFFFAOYSA-N 0 0 432.561 5.109 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)N(c3ccc(N(C)C)cc3)[C@H](C)c3ccccn3)cs2)o1 ZINC000095468117 569371246 /nfs/dbraw/zinc/37/12/46/569371246.db2.gz PCRAXZZZAXRYNU-GOSISDBHSA-N 0 0 446.576 5.509 50 0 IKAARN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1cccc(C(F)(F)F)c1 ZINC000095469226 569371417 /nfs/dbraw/zinc/37/14/17/569371417.db2.gz SOMRDGGWTCCJPR-GFCCVEGCSA-N 0 0 438.247 5.145 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000095471997 569372023 /nfs/dbraw/zinc/37/20/23/569372023.db2.gz ZQZTXMMALHYGMC-UHFFFAOYSA-N 0 0 449.963 6.080 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1-c1cc(OC)c(OC)cc1C2 ZINC000095474032 569372508 /nfs/dbraw/zinc/37/25/08/569372508.db2.gz HRBLTILNSYVBRD-UHFFFAOYSA-N 0 0 443.565 5.422 50 0 IKAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3cccc(OC(F)F)c3)c21 ZINC000095474350 569372648 /nfs/dbraw/zinc/37/26/48/569372648.db2.gz YALMIEOXBAMSPJ-GOSISDBHSA-N 0 0 440.446 5.209 50 0 IKAARN COc1ccc(-n2cnc3c2[C@H](c2ccc(OC(C)C)c(OC)c2)SCC(=O)N3)cc1 ZINC000095480581 569373933 /nfs/dbraw/zinc/37/39/33/569373933.db2.gz OJXSARFBRHCPJL-QFIPXVFZSA-N 0 0 439.537 5.101 50 0 IKAARN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000095482194 569374322 /nfs/dbraw/zinc/37/43/22/569374322.db2.gz IVMHYVITWZCJAD-UHFFFAOYSA-N 0 0 428.330 5.069 50 0 IKAARN CC(C)(C)c1ccc(/C=C/C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000095482216 569374327 /nfs/dbraw/zinc/37/43/27/569374327.db2.gz PFIGSAAEGXPKKK-FMIVXFBMSA-N 0 0 440.341 5.126 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000020560133 569374658 /nfs/dbraw/zinc/37/46/58/569374658.db2.gz SUQLSOOKSZYQEA-XLNZFTOWSA-N 0 0 448.632 6.805 50 0 IKAARN Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)ccc2n1-c1ccc(Br)cc1 ZINC000020664953 569374966 /nfs/dbraw/zinc/37/49/66/569374966.db2.gz KHLMXLDPTMYOCK-STXHMFSFSA-N 0 0 440.385 5.651 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1cccs1 ZINC000095945264 569375738 /nfs/dbraw/zinc/37/57/38/569375738.db2.gz AKOORTOSILBTON-FQEVSTJZSA-N 0 0 447.947 5.608 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3cccc(C)c3)C2)c(OC)c1 ZINC000095945207 569375786 /nfs/dbraw/zinc/37/57/86/569375786.db2.gz ADYSYARWDVXGFZ-QHCPKHFHSA-N 0 0 434.923 5.657 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000095945222 569375809 /nfs/dbraw/zinc/37/58/09/569375809.db2.gz VDOSDLIGYIAFKI-QFIPXVFZSA-N 0 0 438.886 5.488 50 0 IKAARN Cc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)ccc1Br ZINC000095946039 569375905 /nfs/dbraw/zinc/37/59/05/569375905.db2.gz OTLULFJDZCFFDG-UHFFFAOYSA-N 0 0 447.137 5.380 50 0 IKAARN COc1ccc(C(C)=O)cc1CN(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 ZINC000095947041 569376220 /nfs/dbraw/zinc/37/62/20/569376220.db2.gz CEYUUDYGTCYEHX-LJQANCHMSA-N 0 0 430.548 5.620 50 0 IKAARN Cc1ccc(C)c2sc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)nc21 ZINC000095947447 569376417 /nfs/dbraw/zinc/37/64/17/569376417.db2.gz NGDXIELEDVQOHR-UHFFFAOYSA-N 0 0 429.954 5.150 50 0 IKAARN COCc1nc2scc(-c3ccccc3)c2c(N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000095957735 569376951 /nfs/dbraw/zinc/37/69/51/569376951.db2.gz WUVIDSXXKNQPKJ-HXUWFJFHSA-N 0 0 435.524 5.222 50 0 IKAARN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1cnoc1-c1ccc(Cl)s1 ZINC000095972083 569377451 /nfs/dbraw/zinc/37/74/51/569377451.db2.gz SIEQJHLHJDPUDM-UHFFFAOYSA-N 0 0 429.851 5.269 50 0 IKAARN COc1ccccc1C1=NN(C(C)=O)[C@H](c2cn(-c3ccccc3)nc2-c2ccsc2)C1 ZINC000096012505 569380092 /nfs/dbraw/zinc/38/00/92/569380092.db2.gz AOAWERVDHAENQP-QHCPKHFHSA-N 0 0 442.544 5.307 50 0 IKAARN O=C(Nc1cccnc1Cl)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000096012628 569380131 /nfs/dbraw/zinc/38/01/31/569380131.db2.gz UVTPXMMENJGDDU-IBGZPJMESA-N 0 0 449.860 5.522 50 0 IKAARN O=C(/C=C\c1ccc(Br)s1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000096033010 569380941 /nfs/dbraw/zinc/38/09/41/569380941.db2.gz JCORDVFQNQCVPV-CLFYSBASSA-N 0 0 448.411 5.181 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2ccccc2F)c(Br)c1 ZINC000096095927 569381092 /nfs/dbraw/zinc/38/10/92/569381092.db2.gz HWKFGJKVLUFUKN-QBFSEMIESA-N 0 0 435.296 5.766 50 0 IKAARN O=C(N1CCC(c2nnc(-c3ccsc3)o2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000096096587 569381176 /nfs/dbraw/zinc/38/11/76/569381176.db2.gz QATOYNFVIQMZTE-UHFFFAOYSA-N 0 0 441.984 5.670 50 0 IKAARN CCCCOc1ccc(NC(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 ZINC000096097004 569381426 /nfs/dbraw/zinc/38/14/26/569381426.db2.gz LXIXUSOSVCFGEV-UHFFFAOYSA-N 0 0 448.361 5.098 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1csc(-c2ccccc2)n1 ZINC000096098409 569381557 /nfs/dbraw/zinc/38/15/57/569381557.db2.gz RCZOJYIDOKNTIP-UHFFFAOYSA-N 0 0 431.542 5.327 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096102977 569381857 /nfs/dbraw/zinc/38/18/57/569381857.db2.gz VZRULPPCXZBQAK-UHFFFAOYSA-N 0 0 435.871 5.028 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)C(c1ccccc1)c1ccccc1 ZINC000096102961 569381886 /nfs/dbraw/zinc/38/18/86/569381886.db2.gz WSQWEQCDVDPULP-UHFFFAOYSA-N 0 0 446.510 5.493 50 0 IKAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5c(cnc6c7c(cccc7F)nn65)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000096114781 569383071 /nfs/dbraw/zinc/38/30/71/569383071.db2.gz DAWPFPOCBDCGER-NXDFDFEASA-N 0 0 447.598 5.730 50 0 biogenic IKAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117407 569384091 /nfs/dbraw/zinc/38/40/91/569384091.db2.gz WYKUGNAGJSYPGW-BBRMVZONSA-N 0 0 441.475 5.091 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117409 569384164 /nfs/dbraw/zinc/38/41/64/569384164.db2.gz WYKUGNAGJSYPGW-XJKSGUPXSA-N 0 0 441.475 5.091 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000096117817 569384204 /nfs/dbraw/zinc/38/42/04/569384204.db2.gz PQAJZABVZXRVIX-BLLLJJGKSA-N 0 0 426.369 5.499 50 0 IKAARN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000096120076 569384889 /nfs/dbraw/zinc/38/48/89/569384889.db2.gz JKXFHYLTQWSJTO-KRWDZBQOSA-N 0 0 440.392 5.088 50 0 IKAARN CO[C@@H]1CCN(c2ccc(NC(=O)CCc3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC000096122241 569385222 /nfs/dbraw/zinc/38/52/22/569385222.db2.gz XAJIANCUFLLFRL-AREMUKBSSA-N 0 0 430.548 5.062 50 0 IKAARN COc1ccc(C(=O)c2coc3ccc(OCc4ccc(Cl)c(Cl)c4)cc23)cc1 ZINC000096184104 569386005 /nfs/dbraw/zinc/38/60/05/569386005.db2.gz LUKUVAUMXOAZND-UHFFFAOYSA-N 0 0 427.283 6.558 50 0 IKAARN COc1cccc(C(=O)c2coc3ccc(OCc4ccc(Cl)cc4Cl)cc23)c1 ZINC000096184097 569386040 /nfs/dbraw/zinc/38/60/40/569386040.db2.gz HROLNOHTXGVKBA-UHFFFAOYSA-N 0 0 427.283 6.558 50 0 IKAARN COc1cccc(C(=O)c2coc3ccc(OCc4ccc(Br)cc4)cc23)c1 ZINC000096184095 569386057 /nfs/dbraw/zinc/38/60/57/569386057.db2.gz YAOCHHNVFVQOGD-UHFFFAOYSA-N 0 0 437.289 6.014 50 0 IKAARN CC(C)Oc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096221238 569386918 /nfs/dbraw/zinc/38/69/18/569386918.db2.gz FWSBBNGRABZQOL-OAQYLSRUSA-N 0 0 442.467 5.394 50 0 biogenic IKAARN CC(C)c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096221523 569386934 /nfs/dbraw/zinc/38/69/34/569386934.db2.gz RGXUVIPHALFQRH-OAQYLSRUSA-N 0 0 426.468 5.730 50 0 biogenic IKAARN COC(=O)c1ccc(COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)o1 ZINC000096222186 569386976 /nfs/dbraw/zinc/38/69/76/569386976.db2.gz XQAOJZCWUDELQM-UHFFFAOYSA-N 0 0 438.432 5.084 50 0 biogenic IKAARN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096222250 569387244 /nfs/dbraw/zinc/38/72/44/569387244.db2.gz YYFFFGVCFMDVLV-HNNXBMFYSA-N 0 0 438.357 5.024 50 0 biogenic IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000096274862 569388106 /nfs/dbraw/zinc/38/81/06/569388106.db2.gz WPHYJMUYUPDTIG-QGZVFWFLSA-N 0 0 443.761 7.289 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCC(C)C)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096275488 569388219 /nfs/dbraw/zinc/38/82/19/569388219.db2.gz IBBOYCXAAQHVAU-AREMUKBSSA-N 0 0 440.587 5.992 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096275319 569388230 /nfs/dbraw/zinc/38/82/30/569388230.db2.gz SPWMNVKHOLWWJT-XMMPIXPASA-N 0 0 428.551 6.123 50 0 IKAARN COCCNC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1cc(C)ccc1C ZINC000096275236 569388292 /nfs/dbraw/zinc/38/82/92/569388292.db2.gz HFKLHOGCCNYOAN-UHFFFAOYSA-N 0 0 449.595 5.057 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)NCc1ccco1 ZINC000096275302 569388317 /nfs/dbraw/zinc/38/83/17/569388317.db2.gz ZNOQFHIAQITQFA-AREMUKBSSA-N 0 0 440.587 6.653 50 0 IKAARN Cc1ccc(C)c(Cn2c(C(=O)NCC(C)C)cc3cc(NC(=O)C4CCC4)ccc32)c1 ZINC000096275146 569388325 /nfs/dbraw/zinc/38/83/25/569388325.db2.gz KTDZPEHSVCEJAZ-UHFFFAOYSA-N 0 0 431.580 5.431 50 0 IKAARN CCC(=O)Nc1ccc2c(cc(C(=O)Nc3ccccc3)n2Cc2cc(C)ccc2C)c1 ZINC000096276483 569388514 /nfs/dbraw/zinc/38/85/14/569388514.db2.gz GMMVDCLOMGHRBS-UHFFFAOYSA-N 0 0 425.532 5.907 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)NCc1ccco1 ZINC000096276305 569388528 /nfs/dbraw/zinc/38/85/28/569388528.db2.gz ZAECLKWGNSJMHR-SFHVURJKSA-N 0 0 436.895 5.024 50 0 IKAARN CC(C)[C@H](CC(=O)NCc1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096276366 569388539 /nfs/dbraw/zinc/38/85/39/569388539.db2.gz PYVDQQKBSJSOOE-VWLOTQADSA-N 0 0 428.551 6.275 50 0 IKAARN CC(C)[C@@H](CC(=O)NCc1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096276365 569388540 /nfs/dbraw/zinc/38/85/40/569388540.db2.gz PYVDQQKBSJSOOE-RUZDIDTESA-N 0 0 428.551 6.275 50 0 IKAARN CC(C)CNC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000096276694 569388625 /nfs/dbraw/zinc/38/86/25/569388625.db2.gz DMIMJTDDEMUERW-UHFFFAOYSA-N 0 0 443.522 5.467 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCc2ccco2)c2c[nH]c3ccc(Cl)cc32)cc1OC ZINC000096276638 569388629 /nfs/dbraw/zinc/38/86/29/569388629.db2.gz FIQXSLLQCAVITP-GOSISDBHSA-N 0 0 438.911 5.270 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000096276667 569388637 /nfs/dbraw/zinc/38/86/37/569388637.db2.gz AKVZAKXVCTXEIS-KRWDZBQOSA-N 0 0 436.861 5.221 50 0 IKAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCc3ccccc3)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000096276498 569388655 /nfs/dbraw/zinc/38/86/55/569388655.db2.gz AQVLNZRNOJQAFU-DEOSSOPVSA-N 0 0 440.587 6.312 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)Nc1ccccc1 ZINC000096277673 569388746 /nfs/dbraw/zinc/38/87/46/569388746.db2.gz AEQYHFIKYSJEEE-HHHXNRCGSA-N 0 0 448.541 6.989 50 0 IKAARN Cc1ccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000096277448 569388772 /nfs/dbraw/zinc/38/87/72/569388772.db2.gz LNHUIDAHTBDWJL-JOCHJYFZSA-N 0 0 447.922 5.177 50 0 IKAARN CC[C@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096277276 569388779 /nfs/dbraw/zinc/38/87/79/569388779.db2.gz PQODBAIJQRHYLZ-INIZCTEOSA-N 0 0 431.458 5.547 50 0 IKAARN O=C(C1CCCC1)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1 ZINC000096277904 569388852 /nfs/dbraw/zinc/38/88/52/569388852.db2.gz VASACDDXYAYPNS-UHFFFAOYSA-N 0 0 446.389 5.393 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)c2ccccc2)cc1 ZINC000096277838 569388857 /nfs/dbraw/zinc/38/88/57/569388857.db2.gz FPQYACIPWLIJMJ-IBGZPJMESA-N 0 0 445.950 6.145 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277910 569388887 /nfs/dbraw/zinc/38/88/87/569388887.db2.gz VZFLKQAZFBFHJK-ACJLOTCBSA-N 0 0 433.430 5.281 50 0 IKAARN CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000096278011 569389006 /nfs/dbraw/zinc/38/90/06/569389006.db2.gz ZEKOPNHIDMXFEG-GOSISDBHSA-N 0 0 442.357 5.335 50 0 IKAARN NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000096278998 569389178 /nfs/dbraw/zinc/38/91/78/569389178.db2.gz JZQDJMMUHAOFFP-MHZLTWQESA-N 0 0 446.550 6.489 50 0 IKAARN NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000096278999 569389187 /nfs/dbraw/zinc/38/91/87/569389187.db2.gz JZQDJMMUHAOFFP-HHHXNRCGSA-N 0 0 446.550 6.489 50 0 IKAARN CC(C)CNC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2n1Cc1ccc(F)cc1 ZINC000096278810 569389201 /nfs/dbraw/zinc/38/92/01/569389201.db2.gz ZQKWEZARPOBOBL-UHFFFAOYSA-N 0 0 433.483 5.060 50 0 IKAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096278898 569389218 /nfs/dbraw/zinc/38/92/18/569389218.db2.gz IVYHWPHHMXBKCO-HSZRJFAPSA-N 0 0 445.006 6.957 50 0 IKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1C(F)(F)F ZINC000096279173 569389339 /nfs/dbraw/zinc/38/93/39/569389339.db2.gz GZOVODFAYAUYIN-UHFFFAOYSA-N 0 0 431.801 6.123 50 0 IKAARN CC(C)NC(=O)N(Cc1ccccc1)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000096279448 569389443 /nfs/dbraw/zinc/38/94/43/569389443.db2.gz LNYHXGNBENEARE-UHFFFAOYSA-N 0 0 436.600 5.002 50 0 IKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc2sccc2n1Cc1cccc(F)c1 ZINC000096280348 569389530 /nfs/dbraw/zinc/38/95/30/569389530.db2.gz RTELNUDECMXLMZ-UHFFFAOYSA-N 0 0 432.442 5.839 50 0 IKAARN CC(C)(C)c1ccc(CN(Cc2nc(C(=O)N3CCCC3)co2)Cc2ccc(F)cc2)cc1 ZINC000096280149 569389536 /nfs/dbraw/zinc/38/95/36/569389536.db2.gz YGLJDCIDZOOUEC-UHFFFAOYSA-N 0 0 449.570 5.550 50 0 IKAARN O=C(NCc1ccco1)c1cc2sc(Br)cc2n1Cc1cccc(F)c1 ZINC000096280366 569389558 /nfs/dbraw/zinc/38/95/58/569389558.db2.gz DPCBFVBVUFZFOG-UHFFFAOYSA-N 0 0 433.302 5.176 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(F)c4)CC3)nc2)cc1 ZINC000096280563 569389692 /nfs/dbraw/zinc/38/96/92/569389692.db2.gz KHIWYACJJRDKPV-UHFFFAOYSA-N 0 0 446.570 5.093 50 0 IKAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 ZINC000096281154 569389796 /nfs/dbraw/zinc/38/97/96/569389796.db2.gz FXVWGOSNUYSKQL-IZZNHLLZSA-N 0 0 448.607 5.035 50 0 IKAARN COc1cc(-c2nc(-c3cccc(OCc4ccccc4C)c3)no2)cc(OC)c1OC ZINC000096281028 569389801 /nfs/dbraw/zinc/38/98/01/569389801.db2.gz HFQKDWVFTMTXCU-UHFFFAOYSA-N 0 0 432.476 5.317 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2F)n1 ZINC000096281541 569389954 /nfs/dbraw/zinc/38/99/54/569389954.db2.gz SKSFMIIINPNMOB-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)c(C)c1 ZINC000096281723 569390026 /nfs/dbraw/zinc/39/00/26/569390026.db2.gz VYJMUIIODVIZKW-UHFFFAOYSA-N 0 0 441.575 5.625 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccccc2OCc2cccc(C(F)(F)F)c2)n1 ZINC000096281640 569390035 /nfs/dbraw/zinc/39/00/35/569390035.db2.gz IEVXACYOZFLDMM-UHFFFAOYSA-N 0 0 432.467 5.548 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(N3CCCN([C@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000096281728 569390050 /nfs/dbraw/zinc/39/00/50/569390050.db2.gz CZTFVXGOMNVMSM-HXUWFJFHSA-N 0 0 428.536 6.032 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(N3CCCN(Cc4ccccc4F)C3=O)cc2)cc1 ZINC000096281724 569390056 /nfs/dbraw/zinc/39/00/56/569390056.db2.gz YVKARADZEYJEGX-UHFFFAOYSA-N 0 0 432.499 5.610 50 0 IKAARN Cc1ccc(CN2CCc3nc(N4CCC(C)CC4)nc(Oc4cccc(F)c4)c3C2)cc1 ZINC000096281838 569390211 /nfs/dbraw/zinc/39/02/11/569390211.db2.gz PBWNUJMNJOGEIO-UHFFFAOYSA-N 0 0 446.570 5.511 50 0 IKAARN Cc1cccc(-n2c(SCc3cccc(C(=O)NCC(C)C)c3)nnc2-c2ccco2)c1 ZINC000096287121 569390300 /nfs/dbraw/zinc/39/03/00/569390300.db2.gz XTERVZRCJUCVLC-UHFFFAOYSA-N 0 0 446.576 5.514 50 0 IKAARN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)N1CCCC1 ZINC000096287555 569390326 /nfs/dbraw/zinc/39/03/26/569390326.db2.gz RECYCKRSFCAWQW-DEOSSOPVSA-N 0 0 444.525 6.112 50 0 IKAARN NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000096287485 569390364 /nfs/dbraw/zinc/39/03/64/569390364.db2.gz JQTKTVAQVLPJAN-NRFANRHFSA-N 0 0 440.440 5.855 50 0 IKAARN O=C(CCc1ccccc1)N(CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000096288356 569390416 /nfs/dbraw/zinc/39/04/16/569390416.db2.gz GUGGKQORIDSVIK-UHFFFAOYSA-N 0 0 445.950 5.594 50 0 IKAARN Cc1ccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)Nc2ccccc2)cc1 ZINC000096289075 569390544 /nfs/dbraw/zinc/39/05/44/569390544.db2.gz WBZQKGIOTXNFJH-UHFFFAOYSA-N 0 0 445.566 6.856 50 0 IKAARN Cc1ccc(NC(=O)CCc2c(-c3ccccc3)nc3ccc(-c4ccccc4)cn32)cc1 ZINC000096289041 569390553 /nfs/dbraw/zinc/39/05/53/569390553.db2.gz SKMLWVPCOOZRGN-UHFFFAOYSA-N 0 0 431.539 6.548 50 0 IKAARN Cc1ccc2nc(-c3ccco3)nc(NCCNC(=O)c3ccc(C(F)(F)F)cc3)c2c1 ZINC000096289070 569390554 /nfs/dbraw/zinc/39/05/54/569390554.db2.gz WPGCPFMUPKBBKK-UHFFFAOYSA-N 0 0 440.425 5.059 50 0 IKAARN C[C@@]1(CNC(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CCCO1 ZINC000096289091 569390563 /nfs/dbraw/zinc/39/05/63/569390563.db2.gz UOYCGEOCBXQOKQ-JPYJTQIMSA-N 0 0 431.363 5.682 50 0 IKAARN CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)NC(C)C)n3c2)c1 ZINC000096289163 569390648 /nfs/dbraw/zinc/39/06/48/569390648.db2.gz RNMVQLMJXVPYLX-UHFFFAOYSA-N 0 0 427.548 5.524 50 0 IKAARN CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)N[C@@H](C)CC)n3c2)c1 ZINC000096289169 569390660 /nfs/dbraw/zinc/39/06/60/569390660.db2.gz CMHNKHVQBFAZPY-FQEVSTJZSA-N 0 0 441.575 5.914 50 0 IKAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1)C(=O)C(C)C ZINC000096289426 569390667 /nfs/dbraw/zinc/39/06/67/569390667.db2.gz QJEGDUDGGJPBTF-KRWDZBQOSA-N 0 0 437.989 5.199 50 0 IKAARN CC[C@@H](C)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096289175 569390674 /nfs/dbraw/zinc/39/06/74/569390674.db2.gz KNFOSWKZAIBFSB-GOSISDBHSA-N 0 0 431.967 6.169 50 0 IKAARN CC[C@H](C)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096289176 569390685 /nfs/dbraw/zinc/39/06/85/569390685.db2.gz KNFOSWKZAIBFSB-SFHVURJKSA-N 0 0 431.967 6.169 50 0 IKAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc2N1c1ccc(F)cc1 ZINC000096289752 569390760 /nfs/dbraw/zinc/39/07/60/569390760.db2.gz INJKRCVBSLBNJQ-UHFFFAOYSA-N 0 0 437.496 5.035 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N2CCCC2)Cc2ccco2)n1 ZINC000096290174 569390789 /nfs/dbraw/zinc/39/07/89/569390789.db2.gz BSXHDZQNNVVLFP-UHFFFAOYSA-N 0 0 447.366 5.111 50 0 IKAARN Cc1ccc(F)c([C@@H](CC(=O)NCC(C)C)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000096290614 569390857 /nfs/dbraw/zinc/39/08/57/569390857.db2.gz LRSBBDAHWDOUNR-XMMPIXPASA-N 0 0 442.578 6.431 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290575 569390860 /nfs/dbraw/zinc/39/08/60/569390860.db2.gz NDUPOMHESOBPSW-QFIPXVFZSA-N 0 0 429.539 5.454 50 0 IKAARN O=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)NCc1ccco1 ZINC000096290447 569390925 /nfs/dbraw/zinc/39/09/25/569390925.db2.gz LPYOEWCTLXMQHV-UHFFFAOYSA-N 0 0 446.309 5.373 50 0 IKAARN Cc1cc(Cl)ccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)NC(C)C)n2c1 ZINC000096291330 569391107 /nfs/dbraw/zinc/39/11/07/569391107.db2.gz XHRIJMZPGNASRP-UHFFFAOYSA-N 0 0 431.967 6.087 50 0 IKAARN COc1ccc(-c2noc(CCN(C(=O)c3ccccc3Cl)C3CCCCC3)n2)cc1 ZINC000096291916 569391138 /nfs/dbraw/zinc/39/11/38/569391138.db2.gz QSJDZWMKIXXEGB-UHFFFAOYSA-N 0 0 439.943 5.416 50 0 IKAARN CC[C@H](C)NC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccc(Cl)cc3C)cn21 ZINC000096291306 569391148 /nfs/dbraw/zinc/39/11/48/569391148.db2.gz BSFLQHMOZMFCRR-IBGZPJMESA-N 0 0 445.994 6.477 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291999 569391222 /nfs/dbraw/zinc/39/12/22/569391222.db2.gz BLOALNDCFMRGLC-QRWLVFNGSA-N 0 0 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CCCCN(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(F)cc1F ZINC000096293177 569391452 /nfs/dbraw/zinc/39/14/52/569391452.db2.gz VAIFLDNBECVSOG-UHFFFAOYSA-N 0 0 434.874 5.545 50 0 IKAARN Cc1ccc(-c2noc(CCN(C(=O)CCc3ccccc3)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096292966 569391463 /nfs/dbraw/zinc/39/14/63/569391463.db2.gz LSVBGUVNSORVPN-QFIPXVFZSA-N 0 0 439.559 5.810 50 0 IKAARN COc1ccc(-c2noc(CCN(C(=O)c3cccc(F)c3)[C@H](C)c3ccccc3)n2)cc1 ZINC000096293148 569391467 /nfs/dbraw/zinc/39/14/67/569391467.db2.gz QRRZGLAYXKQGNX-GOSISDBHSA-N 0 0 445.494 5.330 50 0 IKAARN Cc1cccc(-c2noc(CCN(CCc3ccccc3)C(=O)CCc3ccccc3)n2)c1 ZINC000096293163 569391477 /nfs/dbraw/zinc/39/14/77/569391477.db2.gz DQFHPJVSXJWYLS-UHFFFAOYSA-N 0 0 439.559 5.292 50 0 IKAARN CC[C@@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096293503 569391535 /nfs/dbraw/zinc/39/15/35/569391535.db2.gz ZBQXCNXYKVPJDY-OAHLLOKOSA-N 0 0 447.457 5.247 50 0 IKAARN Cc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)CCc3ccccc3)n2)c1 ZINC000096293321 569391560 /nfs/dbraw/zinc/39/15/60/569391560.db2.gz DGBDWDMXGAAHCV-UHFFFAOYSA-N 0 0 425.532 5.249 50 0 IKAARN Cc1ccc(-c2noc([C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)cc1Cl ZINC000096293532 569391663 /nfs/dbraw/zinc/39/16/63/569391663.db2.gz OLMSQBZEANFQMD-KRWDZBQOSA-N 0 0 437.849 5.844 50 0 IKAARN CC[C@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096293655 569391684 /nfs/dbraw/zinc/39/16/84/569391684.db2.gz DQNPLQOTCHECDR-AWEZNQCLSA-N 0 0 435.421 5.378 50 0 IKAARN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccccc3Cl)n2)c1 ZINC000096293990 569391694 /nfs/dbraw/zinc/39/16/94/569391694.db2.gz NLYGVYPKTZJBDP-UHFFFAOYSA-N 0 0 447.922 5.284 50 0 IKAARN CCCN(C)C(=O)c1cccc(CSc2nnc(C)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000096294288 569391772 /nfs/dbraw/zinc/39/17/72/569391772.db2.gz MSBCQYODJCZRIM-UHFFFAOYSA-N 0 0 448.514 5.369 50 0 IKAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CC(C)C)C(=O)C(C)C)c1 ZINC000096294683 569391871 /nfs/dbraw/zinc/39/18/71/569391871.db2.gz VZXSLBDUNOOSQV-UHFFFAOYSA-N 0 0 437.989 5.057 50 0 IKAARN O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000096319691 569393933 /nfs/dbraw/zinc/39/39/33/569393933.db2.gz OCXZEMXXOPLYTB-AREMUKBSSA-N 0 0 432.995 6.142 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1c(Cl)cccc1Cl ZINC000096319538 569393974 /nfs/dbraw/zinc/39/39/74/569393974.db2.gz GQKURMYDTCKETE-UHFFFAOYSA-N 0 0 429.259 6.147 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4Cl)no3)o2)cc1C ZINC000096322710 569394785 /nfs/dbraw/zinc/39/47/85/569394785.db2.gz JPOCIJJJZUAKGV-UHFFFAOYSA-N 0 0 428.897 5.241 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(CC(C)C)cc4)o3)n2)cc1 ZINC000096322733 569394882 /nfs/dbraw/zinc/39/48/82/569394882.db2.gz BMTDNELSFNBUPO-UHFFFAOYSA-N 0 0 436.533 5.477 50 0 IKAARN CCOc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)o3)n2)c1 ZINC000096322784 569394919 /nfs/dbraw/zinc/39/49/19/569394919.db2.gz IWKLUYMGZZIUHT-UHFFFAOYSA-N 0 0 444.896 5.023 50 0 IKAARN CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4cccc(C)c4)o3)n2)cc1 ZINC000096322765 569394925 /nfs/dbraw/zinc/39/49/25/569394925.db2.gz SEOPTOHOKDPSFC-UHFFFAOYSA-N 0 0 440.546 5.142 50 0 IKAARN Cc1ccccc1CS(=O)(=O)Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)o1 ZINC000096322752 569394941 /nfs/dbraw/zinc/39/49/41/569394941.db2.gz MXLHUXRNUHQUDD-UHFFFAOYSA-N 0 0 428.897 5.073 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(F)c4)no3)o2)cc1C ZINC000096322739 569394945 /nfs/dbraw/zinc/39/49/45/569394945.db2.gz PLNJPIDRJGOCTH-UHFFFAOYSA-N 0 0 426.469 5.035 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@H]2CC(=O)NCCCc2ccccc2)cc1 ZINC000096323088 569395004 /nfs/dbraw/zinc/39/50/04/569395004.db2.gz MACJOMNGEWJDPO-XMMPIXPASA-N 0 0 432.539 5.041 50 0 IKAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccc(F)c2)no1 ZINC000096322947 569395042 /nfs/dbraw/zinc/39/50/42/569395042.db2.gz KYGVKVXLPSARGE-UHFFFAOYSA-N 0 0 449.916 5.083 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cc3occc32)cc1Cl ZINC000096323704 569395340 /nfs/dbraw/zinc/39/53/40/569395340.db2.gz ZMRCBEOATUZOIG-UHFFFAOYSA-N 0 0 435.867 5.192 50 0 IKAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cc(Cl)ccc2C)C4)cc1 ZINC000096323852 569395476 /nfs/dbraw/zinc/39/54/76/569395476.db2.gz JMMSWTMFIVQJMZ-UHFFFAOYSA-N 0 0 437.956 5.318 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)c(Cl)c1 ZINC000096323816 569395489 /nfs/dbraw/zinc/39/54/89/569395489.db2.gz JVRAMDFJIINZJI-UHFFFAOYSA-N 0 0 441.919 5.149 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn32)C1 ZINC000096323785 569395500 /nfs/dbraw/zinc/39/55/00/569395500.db2.gz SINNNTZDMMNGQK-UHFFFAOYSA-N 0 0 437.956 5.264 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC000096323970 569395598 /nfs/dbraw/zinc/39/55/98/569395598.db2.gz WZUKETYFCKXWSD-UHFFFAOYSA-N 0 0 429.442 5.190 50 0 IKAARN CCc1ccc(-n2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1 ZINC000096324358 569395803 /nfs/dbraw/zinc/39/58/03/569395803.db2.gz XZNJXWBTMNYTGO-UHFFFAOYSA-N 0 0 427.891 5.924 50 0 IKAARN CCc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 ZINC000096324359 569395810 /nfs/dbraw/zinc/39/58/10/569395810.db2.gz LJRNNEMKSCBXSX-UHFFFAOYSA-N 0 0 427.891 5.924 50 0 IKAARN CCOc1ccc(-n2cc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1 ZINC000096324290 569395814 /nfs/dbraw/zinc/39/58/14/569395814.db2.gz YJQYOYCZMGNHOW-UHFFFAOYSA-N 0 0 443.890 5.760 50 0 IKAARN COc1ccc(-n2cc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1 ZINC000096324257 569395821 /nfs/dbraw/zinc/39/58/21/569395821.db2.gz RIWXXMLNPWSBCG-UHFFFAOYSA-N 0 0 429.863 5.370 50 0 IKAARN Cc1ccc(-n2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1C ZINC000096324349 569395827 /nfs/dbraw/zinc/39/58/27/569395827.db2.gz LCKGVTAENMEBCF-UHFFFAOYSA-N 0 0 427.891 5.978 50 0 IKAARN CCc1ccc(-n2cc(-c3nc(-c4ccc(Cl)c(F)c4)no3)c3ccccc3c2=O)cc1 ZINC000096324368 569395853 /nfs/dbraw/zinc/39/58/53/569395853.db2.gz LOLDKQPFIXFYCR-UHFFFAOYSA-N 0 0 445.881 6.063 50 0 IKAARN Cc1cccc(-n2cc(-c3nc(-c4ccc(OC(C)C)cc4)no3)c3ccccc3c2=O)c1 ZINC000096324320 569395857 /nfs/dbraw/zinc/39/58/57/569395857.db2.gz NKHWTMFFIHZIKQ-UHFFFAOYSA-N 0 0 437.499 5.803 50 0 IKAARN COc1ccc(-n2cc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)cc1OC ZINC000096324296 569395865 /nfs/dbraw/zinc/39/58/65/569395865.db2.gz JNBTZNJBTDJXPN-UHFFFAOYSA-N 0 0 439.471 5.033 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(Sc2ccccc2)CCOCC1 ZINC000096331134 569396294 /nfs/dbraw/zinc/39/62/94/569396294.db2.gz IEDVNMBBGHQVCN-UHFFFAOYSA-N 0 0 442.968 5.375 50 0 IKAARN COC(=O)C[C@@H](c1ccc(Cl)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O ZINC000096335859 569396662 /nfs/dbraw/zinc/39/66/62/569396662.db2.gz MERDHOXMXBDHQT-SFHVURJKSA-N 0 0 448.899 5.125 50 0 IKAARN COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344420 569397014 /nfs/dbraw/zinc/39/70/14/569397014.db2.gz GOHKROANVGVMEI-RUZDIDTESA-N 0 0 446.591 5.197 50 0 IKAARN O=C(NCCc1cccc(F)c1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344430 569397023 /nfs/dbraw/zinc/39/70/23/569397023.db2.gz KLLSHFJQFNZDFE-RUZDIDTESA-N 0 0 448.582 5.370 50 0 IKAARN O=C(NCCC1=CCCCC1)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 ZINC000096344395 569397035 /nfs/dbraw/zinc/39/70/35/569397035.db2.gz CXZXMTSNXRJCSM-VWLOTQADSA-N 0 0 446.591 5.729 50 0 IKAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2cc(F)ccc2Cl)no1 ZINC000096349661 569397283 /nfs/dbraw/zinc/39/72/83/569397283.db2.gz NPOCCWCZSAWWHJ-UHFFFAOYSA-N 0 0 440.906 5.196 50 0 IKAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccccc2C(F)(F)F)no1 ZINC000096349742 569397288 /nfs/dbraw/zinc/39/72/88/569397288.db2.gz DYLPFPOWRRWXNI-UHFFFAOYSA-N 0 0 442.441 5.168 50 0 IKAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000096349747 569397300 /nfs/dbraw/zinc/39/73/00/569397300.db2.gz SYTGQGKDRREJFT-UHFFFAOYSA-N 0 0 442.441 5.168 50 0 IKAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1ccccc1C(F)(F)F ZINC000096349874 569397412 /nfs/dbraw/zinc/39/74/12/569397412.db2.gz PYUICKAZPRZZLJ-UHFFFAOYSA-N 0 0 448.832 5.205 50 0 IKAARN CC(C)S(=O)(=O)c1nc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2s1 ZINC000096363693 569397734 /nfs/dbraw/zinc/39/77/34/569397734.db2.gz 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CCOc1cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(Cl)c2)cc(OCC)c1OCC ZINC000096400544 569400382 /nfs/dbraw/zinc/40/03/82/569400382.db2.gz IYYFCMKOSHNQBA-UHFFFAOYSA-N 0 0 443.931 5.487 50 0 IKAARN Cc1cc2oc(=O)cc(COC(=O)/C=C\c3c(Cl)nc4sccn34)c2cc1C(C)C ZINC000096401064 569400395 /nfs/dbraw/zinc/40/03/95/569400395.db2.gz MCSFHFVBNGHBEC-PLNGDYQASA-N 0 0 442.924 5.344 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000096401174 569400532 /nfs/dbraw/zinc/40/05/32/569400532.db2.gz HXUBEOGRZFNQJY-BOPFTXTBSA-N 0 0 445.899 5.272 50 0 IKAARN c1sc(-c2ccccc2)nc1CN1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000096438002 569400573 /nfs/dbraw/zinc/40/05/73/569400573.db2.gz FXRVEHCHLQMXDG-UHFFFAOYSA-N 0 0 447.633 5.016 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000096437999 569400675 /nfs/dbraw/zinc/40/06/75/569400675.db2.gz RIGMQGWSKXUGRZ-HSZRJFAPSA-N 0 0 430.508 5.230 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000021811630 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Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)[nH]n1 ZINC000225545413 569404049 /nfs/dbraw/zinc/40/40/49/569404049.db2.gz POZCWCRHLCPKBJ-UHFFFAOYSA-N 0 0 440.931 5.274 50 0 IKAARN CCCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCc1ccc(F)cc1Cl ZINC000225548034 569404181 /nfs/dbraw/zinc/40/41/81/569404181.db2.gz KDWPHOPUDVNCTP-UHFFFAOYSA-N 0 0 441.959 6.277 50 0 IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccccc1Cl)CO3 ZINC000055393838 569404272 /nfs/dbraw/zinc/40/42/72/569404272.db2.gz GXJRMCPMHPYSAE-UHFFFAOYSA-N 0 0 431.919 5.698 50 0 IKAARN O=C(CSc1cccc2c(SCC(=O)c3ccccc3)cccc12)c1ccccc1 ZINC000002472994 569404367 /nfs/dbraw/zinc/40/43/67/569404367.db2.gz ZCNCLCWPFAZNLL-UHFFFAOYSA-N 0 0 428.578 6.790 50 0 IKAARN COc1ccc(Cc2noc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc43)n2)cc1 ZINC000002479449 569404626 /nfs/dbraw/zinc/40/46/26/569404626.db2.gz PFLISHYEYKKIBH-UHFFFAOYSA-N 0 0 427.891 6.205 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002482311 569404958 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O=C(c1cc(Br)ccc1Cl)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000225740669 569407982 /nfs/dbraw/zinc/40/79/82/569407982.db2.gz QOTVDGSCLHRWBD-QGZVFWFLSA-N 0 0 428.754 5.562 50 0 IKAARN Cc1c(C)c(C)c(CS(=O)(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1C ZINC000002541821 569408881 /nfs/dbraw/zinc/40/88/81/569408881.db2.gz WLZDTLSEIQRLBT-UHFFFAOYSA-N 0 0 434.601 6.084 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002546446 569408888 /nfs/dbraw/zinc/40/88/88/569408888.db2.gz CSQWLBKYVJNKJG-UHFFFAOYSA-N 0 0 437.775 7.201 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC ZINC000002549543 569408969 /nfs/dbraw/zinc/40/89/69/569408969.db2.gz NHDZOMUYBGHXJO-UHFFFAOYSA-N 0 0 439.320 5.395 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(C)cc1 ZINC000028247857 569409382 /nfs/dbraw/zinc/40/93/82/569409382.db2.gz WHHBGWJJTKYUEN-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1SCc1cn2ccccc2n1 ZINC000028278409 569409492 /nfs/dbraw/zinc/40/94/92/569409492.db2.gz 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ZINC000002620352 569410931 /nfs/dbraw/zinc/41/09/31/569410931.db2.gz DKYNHFMJFFNYHQ-UHFFFAOYSA-N 0 0 425.554 5.428 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c(C)n1C ZINC000002620623 569411040 /nfs/dbraw/zinc/41/10/40/569411040.db2.gz DBKDYDMLYGFEGM-UHFFFAOYSA-N 0 0 428.989 5.644 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3n2)cc1 ZINC000002621446 569411054 /nfs/dbraw/zinc/41/10/54/569411054.db2.gz QGFVOLBQFLQYQX-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c2cc1C(C)C ZINC000002622946 569411297 /nfs/dbraw/zinc/41/12/97/569411297.db2.gz NZXWKOBNNFBGCG-UHFFFAOYSA-N 0 0 442.562 5.059 50 0 IKAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C ZINC000002623202 569411305 /nfs/dbraw/zinc/41/13/05/569411305.db2.gz FXGJVKLAXIFOQI-HNNXBMFYSA-N 0 0 430.599 5.191 50 0 IKAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002622592 569411322 /nfs/dbraw/zinc/41/13/22/569411322.db2.gz 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ZINC000002629187 569411973 /nfs/dbraw/zinc/41/19/73/569411973.db2.gz HHOHCJKFVLCHQE-GFCCVEGCSA-N 0 0 434.384 5.276 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1ccc(F)c(F)c1 ZINC000002629031 569412032 /nfs/dbraw/zinc/41/20/32/569412032.db2.gz KDLOVKVAYXCTBO-UHFFFAOYSA-N 0 0 443.858 5.935 50 0 IKAARN C[C@H]1CCCC[C@H]1n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 ZINC000002629917 569412107 /nfs/dbraw/zinc/41/21/07/569412107.db2.gz DSVZZHDTQOLZBI-QFBILLFUSA-N 0 0 432.553 5.434 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)C1 ZINC000215683444 569412115 /nfs/dbraw/zinc/41/21/15/569412115.db2.gz WOTUQJMIKNKYIM-GHMZBOCLSA-N 0 0 439.528 5.744 50 0 IKAARN CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000002629992 569412202 /nfs/dbraw/zinc/41/22/02/569412202.db2.gz BNAQBNMLUISWNZ-CQSZACIVSA-N 0 0 430.426 5.308 50 0 IKAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)c1C ZINC000002630586 569412280 /nfs/dbraw/zinc/41/22/80/569412280.db2.gz URQUOALWHPZNTF-QGZVFWFLSA-N 0 0 446.503 5.160 50 0 IKAARN Clc1ccc([C@@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000002631710 569412443 /nfs/dbraw/zinc/41/24/43/569412443.db2.gz AUMOLVLWYMBBFC-SANMLTNESA-N 0 0 448.957 7.451 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000002632330 569412606 /nfs/dbraw/zinc/41/26/06/569412606.db2.gz HGIFKXMWBYMIGX-UHFFFAOYSA-N 0 0 429.303 5.436 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(C)n1C[C@H]1CCCO1 ZINC000002633878 569412617 /nfs/dbraw/zinc/41/26/17/569412617.db2.gz WDVSYJVSENPBBU-OAHLLOKOSA-N 0 0 449.931 5.331 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3ccc(F)cc3)n(C3CCCC3)c(=O)c2c1C ZINC000002636925 569413112 /nfs/dbraw/zinc/41/31/12/569413112.db2.gz XKKZAJBVCKEPDB-UHFFFAOYSA-N 0 0 431.558 5.060 50 0 IKAARN CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2s1 ZINC000002637427 569413122 /nfs/dbraw/zinc/41/31/22/569413122.db2.gz PYQFTBANKHWGQO-UHFFFAOYSA-N 0 0 438.905 5.491 50 0 IKAARN COc1ccc(CCC(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1OC ZINC000002639452 569413344 /nfs/dbraw/zinc/41/33/44/569413344.db2.gz LOOLAMFUXNPSFI-UHFFFAOYSA-N 0 0 446.572 6.228 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000002639374 569413357 /nfs/dbraw/zinc/41/33/57/569413357.db2.gz CDXQZKRWUUDJLB-UHFFFAOYSA-N 0 0 442.544 5.668 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccccc3OCc3ccccc3)n2)cc1OC ZINC000002638581 569413388 /nfs/dbraw/zinc/41/33/88/569413388.db2.gz GGDNCYJQJAPMNZ-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN CCOc1ccc2sc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 ZINC000215717277 569413474 /nfs/dbraw/zinc/41/34/74/569413474.db2.gz PFXJZCUWKWUXJR-UHFFFAOYSA-N 0 0 428.457 5.324 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1Cl ZINC000002639966 569413567 /nfs/dbraw/zinc/41/35/67/569413567.db2.gz ZMVFGKKKNBKJHY-UHFFFAOYSA-N 0 0 443.286 5.116 50 0 IKAARN Cc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000215715357 569413571 /nfs/dbraw/zinc/41/35/71/569413571.db2.gz WUZTUPWBIOLFMD-HKWRFOASSA-N 0 0 440.421 5.303 50 0 IKAARN CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000002640995 569413657 /nfs/dbraw/zinc/41/36/57/569413657.db2.gz SDZBQWGMRAKQFR-SFHVURJKSA-N 0 0 436.625 5.485 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(OCC(=O)NC(c4ccccc4)c4ccccc4)c32)C1 ZINC000002643064 569413864 /nfs/dbraw/zinc/41/38/64/569413864.db2.gz PENXBINEISQLBD-KRWDZBQOSA-N 0 0 443.572 5.101 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1Cc1ccccc1 ZINC000002644917 569414026 /nfs/dbraw/zinc/41/40/26/569414026.db2.gz OJEXIQDARVELIS-UHFFFAOYSA-N 0 0 432.574 5.603 50 0 IKAARN Cc1ccc(OCc2nnc(SCc3ccc(C(C)(C)C)cc3)n2Cc2ccco2)cc1 ZINC000002645178 569414126 /nfs/dbraw/zinc/41/41/26/569414126.db2.gz IVWRXOYIVNHLTA-UHFFFAOYSA-N 0 0 447.604 6.397 50 0 IKAARN CCc1ccc2c(CSc3nnc(-c4ccccc4)n3Cc3ccco3)cc(=O)oc2c1 ZINC000002645210 569414152 /nfs/dbraw/zinc/41/41/52/569414152.db2.gz NPTYNHZUBOKZHR-UHFFFAOYSA-N 0 0 443.528 5.548 50 0 IKAARN O=C(Nc1ccccc1OC(F)(F)F)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000215728583 569414226 /nfs/dbraw/zinc/41/42/26/569414226.db2.gz WROBEKOTLBYAJO-LGMDPLHJSA-N 0 0 432.423 5.056 50 0 IKAARN CCCCCC(=O)Nc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 ZINC000002647146 569414293 /nfs/dbraw/zinc/41/42/93/569414293.db2.gz WFQKKVMWOFTGOT-UHFFFAOYSA-N 0 0 436.581 5.129 50 0 IKAARN CCOc1ccc(C(=O)N[C@H](C(=O)OC(c2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000002646718 569414316 /nfs/dbraw/zinc/41/43/16/569414316.db2.gz RSPCBXHGJGSJQV-DEOSSOPVSA-N 0 0 431.532 5.173 50 0 IKAARN Cc1cc(-c2csc(N[C@H](C)c3ccccc3)n2)c(C)n1CCc1ccc(Cl)cc1 ZINC000002647097 569414331 /nfs/dbraw/zinc/41/43/31/569414331.db2.gz FXJFVJUYIGPLNI-GOSISDBHSA-N 0 0 436.024 7.298 50 0 IKAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2Br)ccc1Br ZINC000002647613 569414436 /nfs/dbraw/zinc/41/44/36/569414436.db2.gz VZOOFSAJZYAAGT-UHFFFAOYSA-N 0 0 433.527 5.191 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000002648489 569414450 /nfs/dbraw/zinc/41/44/50/569414450.db2.gz IBSBUDPIUVPFNL-UHFFFAOYSA-N 0 0 436.577 5.008 50 0 IKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3nc4ccccc4s3)c2c1C ZINC000002648935 569414528 /nfs/dbraw/zinc/41/45/28/569414528.db2.gz DMKGPPFLAHGVET-UHFFFAOYSA-N 0 0 448.598 6.321 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4cccc(Cl)c4)c3n2)c(OC)c1 ZINC000002649287 569414562 /nfs/dbraw/zinc/41/45/62/569414562.db2.gz JTHPAPYEGZNCQV-UHFFFAOYSA-N 0 0 447.844 6.085 50 0 IKAARN CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002649339 569414573 /nfs/dbraw/zinc/41/45/73/569414573.db2.gz OHUQNAJDNTVPTB-UHFFFAOYSA-N 0 0 444.918 5.371 50 0 IKAARN COc1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)cc1Cl ZINC000215739121 569414642 /nfs/dbraw/zinc/41/46/42/569414642.db2.gz BIWVMOYHHONGEI-SFQUDFHCSA-N 0 0 442.302 5.058 50 0 IKAARN Cc1cc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2nc1-c1ccccc1 ZINC000215735667 569414657 /nfs/dbraw/zinc/41/46/57/569414657.db2.gz HLIHQHSHRICISL-UHFFFAOYSA-N 0 0 443.450 6.005 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 ZINC000215738702 569414699 /nfs/dbraw/zinc/41/46/99/569414699.db2.gz HAVVZHHCWHVMDU-SFQUDFHCSA-N 0 0 442.302 5.058 50 0 IKAARN CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(Cl)cc1Cl ZINC000002650469 569414781 /nfs/dbraw/zinc/41/47/81/569414781.db2.gz XQPUAFZKQYQYPQ-UHFFFAOYSA-N 0 0 429.347 5.643 50 0 IKAARN Cc1ccc(Nc2nc(CSc3nnc(Nc4ccccc4F)s3)cs2)cc1 ZINC000002651712 569414926 /nfs/dbraw/zinc/41/49/26/569414926.db2.gz NNXLYGLFCOVXQZ-UHFFFAOYSA-N 0 0 429.571 6.222 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nnc2-c2ccccc2)cc1 ZINC000002652886 569415013 /nfs/dbraw/zinc/41/50/13/569415013.db2.gz SZCUIDREADVYOV-UHFFFAOYSA-N 0 0 435.505 5.005 50 0 IKAARN CCCCCn1nc(C(=O)Nc2c(CC)ccc(Cl)c2CC)c2ccccc2c1=O ZINC000002653157 569415126 /nfs/dbraw/zinc/41/51/26/569415126.db2.gz NQHJPNRFYZWNQI-UHFFFAOYSA-N 0 0 425.960 5.617 50 0 IKAARN CCOC(=O)c1ccoc1CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000002655100 569415347 /nfs/dbraw/zinc/41/53/47/569415347.db2.gz FZNMKLHTOXYQJG-UHFFFAOYSA-N 0 0 430.938 6.074 50 0 IKAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccccc3OC(F)(F)F)sc2n1 ZINC000215757878 569415950 /nfs/dbraw/zinc/41/59/50/569415950.db2.gz YLDXURKITQGXLN-UHFFFAOYSA-N 0 0 435.349 5.357 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1cccs1 ZINC000002660730 569416025 /nfs/dbraw/zinc/41/60/25/569416025.db2.gz YXROOLXLOCESAI-UHFFFAOYSA-N 0 0 436.606 5.138 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000002662082 569416154 /nfs/dbraw/zinc/41/61/54/569416154.db2.gz GAKGWNXZKBYHBG-UHFFFAOYSA-N 0 0 427.501 5.308 50 0 IKAARN COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2OC)cc1 ZINC000002662305 569416254 /nfs/dbraw/zinc/41/62/54/569416254.db2.gz QKGWFKGUEHEJAO-UHFFFAOYSA-N 0 0 433.533 5.123 50 0 IKAARN COCCCn1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000002662573 569416276 /nfs/dbraw/zinc/41/62/76/569416276.db2.gz LLBOFVZGCJVCPC-UHFFFAOYSA-N 0 0 440.956 5.091 50 0 IKAARN COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)c1ccc(C(C)C)cc1C(C)C ZINC000002662372 569416280 /nfs/dbraw/zinc/41/62/80/569416280.db2.gz YHTZYTCIQUBBIM-QGZVFWFLSA-N 0 0 438.597 5.590 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(C)c2C)n1-c1ccc(C)cc1 ZINC000002662304 569416284 /nfs/dbraw/zinc/41/62/84/569416284.db2.gz FKZPJOPLYVLOBI-UHFFFAOYSA-N 0 0 446.576 5.182 50 0 IKAARN Cc1ccccc1OCCSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000002662337 569416304 /nfs/dbraw/zinc/41/63/04/569416304.db2.gz ZTWLQKUJESFQDI-LJQANCHMSA-N 0 0 429.973 5.257 50 0 IKAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000002663690 569416345 /nfs/dbraw/zinc/41/63/45/569416345.db2.gz AANDXKCPSIULLW-XMMPIXPASA-N 0 0 438.596 6.522 50 0 IKAARN COc1ccccc1N(Cc1csc(-c2ccccc2)n1)S(=O)(=O)c1cccs1 ZINC000002663852 569416375 /nfs/dbraw/zinc/41/63/75/569416375.db2.gz NMRDALFJEUEGNV-UHFFFAOYSA-N 0 0 442.587 5.276 50 0 IKAARN C[C@H](CCc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000002664356 569416400 /nfs/dbraw/zinc/41/64/00/569416400.db2.gz VPBQNTVSHIEFAW-MRXNPFEDSA-N 0 0 434.008 6.934 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)OCC(=O)Nc2cccc3ccccc32)s1 ZINC000002663819 569416412 /nfs/dbraw/zinc/41/64/12/569416412.db2.gz UZKUIMFJFOVUPQ-UHFFFAOYSA-N 0 0 430.529 5.305 50 0 IKAARN Cc1cccc(C)c1OCCOC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002664828 569416424 /nfs/dbraw/zinc/41/64/24/569416424.db2.gz PFXNQLHUGOMTNM-UHFFFAOYSA-N 0 0 426.965 6.485 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)n1Cc1cccs1 ZINC000002664778 569416426 /nfs/dbraw/zinc/41/64/26/569416426.db2.gz GAMFBTGSZXXIHA-UHFFFAOYSA-N 0 0 447.560 5.057 50 0 IKAARN O=C(/C=C/c1ccc2ccccc2c1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000002669443 569416572 /nfs/dbraw/zinc/41/65/72/569416572.db2.gz CHOLVEKRKDMCIT-PKNBQFBNSA-N 0 0 439.367 6.846 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000002679323 569416692 /nfs/dbraw/zinc/41/66/92/569416692.db2.gz CYQHCCDCHWEITD-UHFFFAOYSA-N 0 0 425.966 6.051 50 0 IKAARN Cc1sc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c2c1-c1ccc(F)cc1 ZINC000002679285 569416770 /nfs/dbraw/zinc/41/67/70/569416770.db2.gz RZINFENXLGXTFB-UHFFFAOYSA-N 0 0 442.515 7.177 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1 ZINC000002687766 569416845 /nfs/dbraw/zinc/41/68/45/569416845.db2.gz VJYXUDHLUBSYAX-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1 ZINC000002690321 569416973 /nfs/dbraw/zinc/41/69/73/569416973.db2.gz QWKGRUPDWWMCFZ-UHFFFAOYSA-N 0 0 425.463 5.470 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccc(C)cc4)cc2-3)cc1 ZINC000002691342 569417113 /nfs/dbraw/zinc/41/71/13/569417113.db2.gz CRCNKRLRVFAXKP-UHFFFAOYSA-N 0 0 439.515 5.586 50 0 IKAARN CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1 ZINC000002691348 569417125 /nfs/dbraw/zinc/41/71/25/569417125.db2.gz KMFQPINCYLNFRH-UHFFFAOYSA-N 0 0 425.463 5.682 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000230000837 569417147 /nfs/dbraw/zinc/41/71/47/569417147.db2.gz QDBHHIFPYJLHRN-PWRODBHTSA-N 0 0 439.298 5.045 50 0 IKAARN CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1 ZINC000002691350 569417204 /nfs/dbraw/zinc/41/72/04/569417204.db2.gz PHMWFCUGFUVKCG-UHFFFAOYSA-N 0 0 439.490 5.724 50 0 IKAARN COc1cccc([C@]2(C)CC[C@@]3(c4ccccc4)Nc4ccc(C(C)(C)C)cc4[C@@]3(C)C2)c1 ZINC000230023821 569417790 /nfs/dbraw/zinc/41/77/90/569417790.db2.gz QCWNAUHWKCFSRM-OLUZHXLYSA-N 0 0 439.643 7.713 50 0 IKAARN C[C@@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714796 569417944 /nfs/dbraw/zinc/41/79/44/569417944.db2.gz OOYFYQMWQFXQDH-NQIIRXRSSA-N 0 0 428.555 6.853 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1cc(Cl)ccc1Cl)CC(=O)N2 ZINC000002724234 569418372 /nfs/dbraw/zinc/41/83/72/569418372.db2.gz NYTFCGYAEBQKCH-QFIPXVFZSA-N 0 0 443.305 5.625 50 0 IKAARN O=C(c1cc(Cl)ccc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002724776 569418408 /nfs/dbraw/zinc/41/84/08/569418408.db2.gz ABMBRQYETMBFON-OAQYLSRUSA-N 0 0 447.268 5.456 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000002725270 569418431 /nfs/dbraw/zinc/41/84/31/569418431.db2.gz XIYLATCBRPQDMM-UHFFFAOYSA-N 0 0 426.700 5.168 50 0 IKAARN Cc1ccc2nc(NC(=O)N[C@]3(C(F)(F)F)Oc4ccc(Cl)cc4O3)sc2c1 ZINC000002725370 569418446 /nfs/dbraw/zinc/41/84/46/569418446.db2.gz HMTLHOMZWADVLB-QGZVFWFLSA-N 0 0 429.807 5.067 50 0 IKAARN Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)cc1F ZINC000002725426 569418495 /nfs/dbraw/zinc/41/84/95/569418495.db2.gz HONKUFDNBSIOQA-UHFFFAOYSA-N 0 0 425.165 5.250 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725489 569418621 /nfs/dbraw/zinc/41/86/21/569418621.db2.gz OYTRZLPGRGBFIC-UHFFFAOYSA-N 0 0 449.256 5.601 50 0 IKAARN CCc1ccccc1NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O ZINC000002732696 569419509 /nfs/dbraw/zinc/41/95/09/569419509.db2.gz YBMYVUWUQMZABI-UHFFFAOYSA-N 0 0 448.950 5.461 50 0 IKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000002733395 569419516 /nfs/dbraw/zinc/41/95/16/569419516.db2.gz DKNVYVBFUKTCGJ-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2cc(Cl)ccc2Cl)n1 ZINC000002733411 569419584 /nfs/dbraw/zinc/41/95/84/569419584.db2.gz FTGVJRWSYWUVEM-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000002733590 569419701 /nfs/dbraw/zinc/41/97/01/569419701.db2.gz SNPSJRWWCSICOE-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Cc1nn(CCCn2c(=O)c3ccccc3nc2SCc2ccccc2C)cc1Cl ZINC000002733869 569419713 /nfs/dbraw/zinc/41/97/13/569419713.db2.gz SJNCADCLVLHSBC-UHFFFAOYSA-N 0 0 438.984 5.246 50 0 IKAARN Cc1nn(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)c(C)c1Cl ZINC000002733548 569419721 /nfs/dbraw/zinc/41/97/21/569419721.db2.gz AWCWGNITDADQSI-UHFFFAOYSA-N 0 0 432.999 6.732 50 0 IKAARN Cc1cccc(Cn2ccc(NC(=S)N(Cc3ccccc3)Cc3ccccc3)n2)c1 ZINC000002733599 569419725 /nfs/dbraw/zinc/41/97/25/569419725.db2.gz YVQPPTRTRPEAAV-UHFFFAOYSA-N 0 0 426.589 5.639 50 0 IKAARN CCOc1ccc(OCc2ccc(C(=O)N[C@@H](CC)c3ccc(C(C)C)cc3)cc2)cc1 ZINC000002739470 569419790 /nfs/dbraw/zinc/41/97/90/569419790.db2.gz ZUWGYHUQWQWSHB-MHZLTWQESA-N 0 0 431.576 6.669 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc(C)c1Cl ZINC000002753022 569420223 /nfs/dbraw/zinc/42/02/23/569420223.db2.gz DBUWLDDNTOBCEH-UHFFFAOYSA-N 0 0 425.790 5.100 50 0 IKAARN O=C(NCc1cc2ccccc2[nH]1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000002755177 569420432 /nfs/dbraw/zinc/42/04/32/569420432.db2.gz NXXBCXHQGQQELQ-UHFFFAOYSA-N 0 0 435.321 5.439 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002757646 569420514 /nfs/dbraw/zinc/42/05/14/569420514.db2.gz RVYLQTOFYCUVNF-RBUKOAKNSA-N 0 0 425.594 5.843 50 0 IKAARN COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000028781600 569420719 /nfs/dbraw/zinc/42/07/19/569420719.db2.gz UDKPNCSBWGMYBF-UHFFFAOYSA-N 0 0 434.311 5.051 50 0 IKAARN O=C(OCc1ccc(Br)cc1)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000002766801 569420738 /nfs/dbraw/zinc/42/07/38/569420738.db2.gz WNSIEQAEQMCPLQ-UHFFFAOYSA-N 0 0 435.211 5.223 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000002770486 569420872 /nfs/dbraw/zinc/42/08/72/569420872.db2.gz VNADMMKDPRZFNW-UHFFFAOYSA-N 0 0 449.505 5.741 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nnc(-c5ccccc5)o4)cc3n2)cc1C ZINC000002785612 569421363 /nfs/dbraw/zinc/42/13/63/569421363.db2.gz YPLGXWZEHUAAHW-UHFFFAOYSA-N 0 0 435.409 5.749 50 0 IKAARN CCCCCCNC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002793221 569422003 /nfs/dbraw/zinc/42/20/03/569422003.db2.gz JMDOLGVYTSQOFW-UHFFFAOYSA-N 0 0 430.883 5.440 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(-c3nnc(-c4ccc5cc(C)ccc5n4)o3)cc12 ZINC000002803464 569422510 /nfs/dbraw/zinc/42/25/10/569422510.db2.gz IABPAYFLAODROI-UHFFFAOYSA-N 0 0 444.538 6.880 50 0 IKAARN Cc1cccc(C)c1OCc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 ZINC000002804446 569422520 /nfs/dbraw/zinc/42/25/20/569422520.db2.gz WQOLMGIOLKSVQM-UHFFFAOYSA-N 0 0 446.514 5.326 50 0 IKAARN Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000002804253 569422565 /nfs/dbraw/zinc/42/25/65/569422565.db2.gz VGLQFVLRAAYXJZ-MRVPVSSYSA-N 0 0 449.202 5.152 50 0 IKAARN Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(Cc2cccc(Cl)c2)o1 ZINC000002804584 569422690 /nfs/dbraw/zinc/42/26/90/569422690.db2.gz PDUWGYKHRCKSRP-SECBINFHSA-N 0 0 431.668 5.128 50 0 IKAARN O=C(CNc1ccccc1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000002887740 569424208 /nfs/dbraw/zinc/42/42/08/569424208.db2.gz GEMPSZZBABOVCO-UHFFFAOYSA-N 0 0 425.863 5.457 50 0 IKAARN O=C(CNc1cccc2ccccc21)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000002887645 569424216 /nfs/dbraw/zinc/42/42/16/569424216.db2.gz GCYFGDUQDGUVSQ-UHFFFAOYSA-N 0 0 442.371 6.245 50 0 IKAARN O=c1cc(-c2ccc(Cl)cc2)oc2ccc(OCc3ccc(Br)cc3)cc12 ZINC000002888809 569424278 /nfs/dbraw/zinc/42/42/78/569424278.db2.gz IQIJWITWJJQXQW-UHFFFAOYSA-N 0 0 441.708 6.455 50 0 IKAARN COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)cc1 ZINC000002889697 569424315 /nfs/dbraw/zinc/42/43/15/569424315.db2.gz QABDHCXFUHFRNN-UHFFFAOYSA-N 0 0 430.323 5.525 50 0 IKAARN COc1cc(-c2cc(=O)c3cc(OCCCc4ccccc4)ccc3o2)cc(OC)c1OC ZINC000002888817 569424322 /nfs/dbraw/zinc/42/43/22/569424322.db2.gz JIJFDAONUFTUSD-UHFFFAOYSA-N 0 0 446.499 5.497 50 0 IKAARN CCOC(=O)c1sc2nc(Cc3ccccc3)nc(NCCC3=CCCCC3)c2c1C ZINC000002910564 569424814 /nfs/dbraw/zinc/42/48/14/569424814.db2.gz AYUPRMFELKDMIV-UHFFFAOYSA-N 0 0 435.593 6.070 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000002911108 569424816 /nfs/dbraw/zinc/42/48/16/569424816.db2.gz OXXIYIKPJOEUON-UHFFFAOYSA-N 0 0 441.915 5.168 50 0 IKAARN Cc1c(C(=O)Nc2cc(F)ccc2C)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000002911118 569424845 /nfs/dbraw/zinc/42/48/45/569424845.db2.gz YYIBEWSJARFTCL-UHFFFAOYSA-N 0 0 441.915 5.168 50 0 IKAARN COc1ccc(Nc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)cc1OC ZINC000002910526 569424857 /nfs/dbraw/zinc/42/48/57/569424857.db2.gz AQGGUCYOPDUJFH-UHFFFAOYSA-N 0 0 431.561 5.922 50 0 IKAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c1 ZINC000002915244 569425115 /nfs/dbraw/zinc/42/51/15/569425115.db2.gz OCLBQSJMTUEIDD-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)c1 ZINC000002915242 569425131 /nfs/dbraw/zinc/42/51/31/569425131.db2.gz OCLBQSJMTUEIDD-RPWUZVMVSA-N 0 0 442.906 5.153 50 0 IKAARN CCOc1cc([C@H]2C[C@@H](c3cccc(C)c3)Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000002918543 569425242 /nfs/dbraw/zinc/42/52/42/569425242.db2.gz SQIIRUMTZLYHBF-RBBKRZOGSA-N 0 0 449.501 6.491 50 0 IKAARN CCc1ccc(OC(=O)c2sc3ncn(Cc4ccccc4Cl)c(=O)c3c2C)cc1 ZINC000002919989 569425248 /nfs/dbraw/zinc/42/52/48/569425248.db2.gz SVPQMTDSGOLKQK-UHFFFAOYSA-N 0 0 438.936 5.250 50 0 IKAARN Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3nc4ccccc4n32)cc1 ZINC000002919031 569425268 /nfs/dbraw/zinc/42/52/68/569425268.db2.gz LWCSVSCEEAXILY-FQEVSTJZSA-N 0 0 441.840 6.486 50 0 IKAARN CCOc1cc([C@H]2CC(c3cccc(C)c3)=Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000002918559 569425307 /nfs/dbraw/zinc/42/53/07/569425307.db2.gz ICZGOQXMIRBIJP-JOCHJYFZSA-N 0 0 447.485 6.401 50 0 IKAARN CCN(CC)c1ncnc2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 ZINC000002925853 569425607 /nfs/dbraw/zinc/42/56/07/569425607.db2.gz ZGZVVAHRFABMEV-UHFFFAOYSA-N 0 0 432.549 5.891 50 0 IKAARN COc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000002925248 569425611 /nfs/dbraw/zinc/42/56/11/569425611.db2.gz RGVUDRAJDXPFLO-UHFFFAOYSA-N 0 0 442.949 5.084 50 0 IKAARN CCN(CC)c1nc(C)nc2sc(C(=O)Nc3ccc(C)cc3Br)c(C)c21 ZINC000002925917 569425623 /nfs/dbraw/zinc/42/56/23/569425623.db2.gz RSXHQPQTCHNDJJ-UHFFFAOYSA-N 0 0 447.402 5.478 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C ZINC000002926838 569425762 /nfs/dbraw/zinc/42/57/62/569425762.db2.gz FDAYFJRDLZFWHY-UHFFFAOYSA-N 0 0 438.940 5.682 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)c1 ZINC000002926891 569425768 /nfs/dbraw/zinc/42/57/68/569425768.db2.gz UXHIJNRBOXFDKX-UHFFFAOYSA-N 0 0 434.521 5.037 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2ncnc(N(C)c3ccccc3)c12 ZINC000002926828 569425792 /nfs/dbraw/zinc/42/57/92/569425792.db2.gz IQVAZGXNPNFZAB-UHFFFAOYSA-N 0 0 442.466 6.039 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2ccccc2CC)c1C ZINC000002928595 569425987 /nfs/dbraw/zinc/42/59/87/569425987.db2.gz HUEAGQKKDGCJDR-UHFFFAOYSA-N 0 0 434.536 5.240 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cc(Cl)ccc4OC)n3)cc2)cc1 ZINC000002930875 569426114 /nfs/dbraw/zinc/42/61/14/569426114.db2.gz QXIBEGNFRXGVTE-UHFFFAOYSA-N 0 0 449.894 5.255 50 0 IKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002939939 569426565 /nfs/dbraw/zinc/42/65/65/569426565.db2.gz LKLUBMFXTSGXKJ-UHFFFAOYSA-N 0 0 439.389 5.919 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000002940083 569426634 /nfs/dbraw/zinc/42/66/34/569426634.db2.gz BUEOTMXUHWGOEC-QGZVFWFLSA-N 0 0 426.822 5.099 50 0 IKAARN CCc1ccc(Sc2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000002941350 569426645 /nfs/dbraw/zinc/42/66/45/569426645.db2.gz IUBDEJAUQARKPJ-UHFFFAOYSA-N 0 0 432.976 6.532 50 0 IKAARN CCOc1ccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1 ZINC000002942926 569426798 /nfs/dbraw/zinc/42/67/98/569426798.db2.gz LZVDTJWXQJLOKC-UHFFFAOYSA-N 0 0 427.504 5.160 50 0 IKAARN COc1cc(/C=C2\N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)cc(OC)c1OC ZINC000002942466 569426828 /nfs/dbraw/zinc/42/68/28/569426828.db2.gz UWLGMVRWTIBGTB-YMOMHROCSA-N 0 0 434.275 5.029 50 0 IKAARN Cc1cc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)ccc1Br ZINC000002947437 569427038 /nfs/dbraw/zinc/42/70/38/569427038.db2.gz LHTRCPFXDLEATI-MRXNPFEDSA-N 0 0 427.161 5.299 50 0 IKAARN Cc1cc(N2C(=O)CS[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1Br ZINC000002947502 569427075 /nfs/dbraw/zinc/42/70/75/569427075.db2.gz WDXNJCXVEBWBSJ-JOCHJYFZSA-N 0 0 440.362 6.328 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000002948864 569427100 /nfs/dbraw/zinc/42/71/00/569427100.db2.gz JEMLYKDFYWUOGL-UHFFFAOYSA-N 0 0 432.524 5.229 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000002948333 569427118 /nfs/dbraw/zinc/42/71/18/569427118.db2.gz VZAOBBJBPJYQDG-NRFANRHFSA-N 0 0 444.604 5.034 50 0 IKAARN O=C(NC1CCCCC1)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948508 569427123 /nfs/dbraw/zinc/42/71/23/569427123.db2.gz IYRUAVFWHJGNFS-UHFFFAOYSA-N 0 0 430.495 6.467 50 0 IKAARN COc1cc(Nc2nc(SCC(=O)c3ccc(F)cc3)nc3ccccc32)cc(OC)c1 ZINC000002949048 569427133 /nfs/dbraw/zinc/42/71/33/569427133.db2.gz JRFBUPKLUBNBNF-UHFFFAOYSA-N 0 0 449.507 5.505 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000056945927 569428199 /nfs/dbraw/zinc/42/81/99/569428199.db2.gz IBHNRMGFNJCYDI-DEOSSOPVSA-N 0 0 449.570 5.010 50 0 IKAARN O=C(c1occc1-c1ccccc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000029257039 569429231 /nfs/dbraw/zinc/42/92/31/569429231.db2.gz RENGBCNAFQQEQT-UHFFFAOYSA-N 0 0 447.535 5.167 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@@H]3CCC1 ZINC000057049725 569429252 /nfs/dbraw/zinc/42/92/52/569429252.db2.gz MKXJUHPZFKVOIT-XMMPIXPASA-N 0 0 447.623 5.132 50 0 biogenic IKAARN Cc1nc2c3ccccc3oc2c(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000057093280 569429580 /nfs/dbraw/zinc/42/95/80/569429580.db2.gz WODJDEQWPWUFIY-UHFFFAOYSA-N 0 0 427.335 5.313 50 0 IKAARN Cc1nc(-c2ccc(CN[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)s2)cs1 ZINC000057270779 569430294 /nfs/dbraw/zinc/43/02/94/569430294.db2.gz INOOXCXZKPYVFV-QFIPXVFZSA-N 0 0 437.565 5.789 50 0 IKAARN O=c1nc(CN2CCC[C@H]2c2cccs2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000057293415 569430441 /nfs/dbraw/zinc/43/04/41/569430441.db2.gz CUOCZMSPJDQPCE-INIZCTEOSA-N 0 0 427.982 5.704 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000057303659 569430581 /nfs/dbraw/zinc/43/05/81/569430581.db2.gz DHSBRFCZZNBNKU-MHZLTWQESA-N 0 0 438.575 5.326 50 0 IKAARN Cc1nc(CN2CCN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)CC2)cs1 ZINC000057315408 569431006 /nfs/dbraw/zinc/43/10/06/569431006.db2.gz YOOQKLAJEWXSHB-UHFFFAOYSA-N 0 0 441.651 5.124 50 0 IKAARN O=C(CN[C@@H](c1cccs1)c1ccc2c(c1)CCC2)Nc1ccccc1OC(F)F ZINC000057323214 569431119 /nfs/dbraw/zinc/43/11/19/569431119.db2.gz YRSUKUQBKVSPNK-JOCHJYFZSA-N 0 0 428.504 5.156 50 0 IKAARN Cc1ccc(-c2csc3[nH]c(CN(Cc4ccc(F)cc4)C4CC4)nc(=O)c23)s1 ZINC000057332106 569431147 /nfs/dbraw/zinc/43/11/47/569431147.db2.gz VKIBFXXFXNUEST-UHFFFAOYSA-N 0 0 425.554 5.325 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000057350730 569431246 /nfs/dbraw/zinc/43/12/46/569431246.db2.gz XHFRGGGUSSFUGD-SANMLTNESA-N 0 0 447.623 5.098 50 0 IKAARN Cc1ccc(-c2noc(-c3cc4cccc(OCc5ccc(F)cc5)c4oc3=O)n2)cc1 ZINC000057354725 569431258 /nfs/dbraw/zinc/43/12/58/569431258.db2.gz NPOGBAOVRJINPP-UHFFFAOYSA-N 0 0 428.419 5.537 50 0 IKAARN Cc1ccc(-c2noc(-c3cc4cccc(OCc5cccc(F)c5)c4oc3=O)n2)cc1 ZINC000057354724 569431267 /nfs/dbraw/zinc/43/12/67/569431267.db2.gz AGWUAMXCWCOSAB-UHFFFAOYSA-N 0 0 428.419 5.537 50 0 IKAARN COCCCn1c(S[C@H](C)c2nc(-c3ccco3)no2)nnc1-c1ccccc1Cl ZINC000029737493 569431927 /nfs/dbraw/zinc/43/19/27/569431927.db2.gz BYQDFGVKIHURBK-CYBMUJFWSA-N 0 0 445.932 5.131 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C)c1NC(=O)c1ccccc1 ZINC000002950401 569431987 /nfs/dbraw/zinc/43/19/87/569431987.db2.gz OPHGWEHTLXZXKG-UHFFFAOYSA-N 0 0 445.906 6.116 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1C ZINC000002950808 569432011 /nfs/dbraw/zinc/43/20/11/569432011.db2.gz MOWKSQWUURKNIR-UHFFFAOYSA-N 0 0 426.545 5.553 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](NCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2)c1 ZINC000057363001 569432054 /nfs/dbraw/zinc/43/20/54/569432054.db2.gz BGYMGPZISKEVQH-AREMUKBSSA-N 0 0 429.564 5.137 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000002951602 569432115 /nfs/dbraw/zinc/43/21/15/569432115.db2.gz XGKPPBSNLQJSIV-UHFFFAOYSA-N 0 0 426.255 6.144 50 0 IKAARN CC(=O)c1ccc(N(C(C)=O)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 ZINC000002956323 569432414 /nfs/dbraw/zinc/43/24/14/569432414.db2.gz QFABKBDCFPUATN-UHFFFAOYSA-N 0 0 438.892 5.457 50 0 IKAARN Clc1cccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c1Cl ZINC000002958662 569432525 /nfs/dbraw/zinc/43/25/25/569432525.db2.gz ODTCWPFKYXQRLZ-UHFFFAOYSA-N 0 0 440.153 5.373 50 0 IKAARN Cc1ccccc1Nc1sc(C(=O)c2ccc(F)cc2)c(N)c1C(=O)Nc1ccccc1 ZINC000002962317 569432756 /nfs/dbraw/zinc/43/27/56/569432756.db2.gz WBGSJOYXTJLZPS-UHFFFAOYSA-N 0 0 445.519 6.005 50 0 IKAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1C1CCCCC1)c1ccccc1 ZINC000002962096 569432796 /nfs/dbraw/zinc/43/27/96/569432796.db2.gz LTVKFESWMGPFJW-UHFFFAOYSA-N 0 0 434.586 6.091 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000002965473 569433066 /nfs/dbraw/zinc/43/30/66/569433066.db2.gz CNMGDSWVQLEDHD-NHCUHLMSSA-N 0 0 448.592 5.014 50 0 IKAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccccc4Cl)n3n2)n1 ZINC000002969213 569433188 /nfs/dbraw/zinc/43/31/88/569433188.db2.gz BYGSDUTUNZYYSQ-UHFFFAOYSA-N 0 0 448.983 5.279 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)cc1F ZINC000002969431 569433260 /nfs/dbraw/zinc/43/32/60/569433260.db2.gz GSBQBGXLFCTQFQ-UHFFFAOYSA-N 0 0 443.507 5.123 50 0 IKAARN C[C@H](NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)c1ccccc1 ZINC000230077536 569433333 /nfs/dbraw/zinc/43/33/33/569433333.db2.gz PMFHENPCTOYVOZ-WDNCENIBSA-N 0 0 444.600 5.849 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1Cl ZINC000002971363 569433432 /nfs/dbraw/zinc/43/34/32/569433432.db2.gz LQUXPKPGOOPCRW-UHFFFAOYSA-N 0 0 427.957 5.204 50 0 IKAARN CC[C@H](Cc1ccccc1)n1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O ZINC000002971893 569433453 /nfs/dbraw/zinc/43/34/53/569433453.db2.gz NOJNTYPUZSIYCJ-OAQYLSRUSA-N 0 0 428.557 5.565 50 0 IKAARN CCc1nc2c3ccccc3oc2c(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000057412119 569433689 /nfs/dbraw/zinc/43/36/89/569433689.db2.gz MWYXYHMRKOQEQS-UHFFFAOYSA-N 0 0 441.362 5.567 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c(C)c1 ZINC000057425421 569434434 /nfs/dbraw/zinc/43/44/34/569434434.db2.gz WCDMGSHGKLEKGI-UHFFFAOYSA-N 0 0 449.601 5.162 50 0 IKAARN CC(C)CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O ZINC000057426001 569434447 /nfs/dbraw/zinc/43/44/47/569434447.db2.gz MLDABLBPMURTTG-UHFFFAOYSA-N 0 0 429.611 5.358 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1 ZINC000057426288 569434569 /nfs/dbraw/zinc/43/45/69/569434569.db2.gz LKINQNALMRXKAP-UHFFFAOYSA-N 0 0 429.611 5.187 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC)cc1 ZINC000057426430 569434641 /nfs/dbraw/zinc/43/46/41/569434641.db2.gz GVTIXRVJPCBCAB-UHFFFAOYSA-N 0 0 429.611 5.332 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1 ZINC000057428387 569434891 /nfs/dbraw/zinc/43/48/91/569434891.db2.gz FKQMBFUKTWKSGK-UHFFFAOYSA-N 0 0 449.601 5.521 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccsc3c2=O)cc1C ZINC000057428562 569434928 /nfs/dbraw/zinc/43/49/28/569434928.db2.gz CBATYAFVMHRSKQ-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Br)cc1 ZINC000003050293 569438934 /nfs/dbraw/zinc/43/89/34/569438934.db2.gz HVQPEJUTKBTBOZ-UHFFFAOYSA-N 0 0 426.261 5.780 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1F)CC2 ZINC000003006792 569435225 /nfs/dbraw/zinc/43/52/25/569435225.db2.gz PPJXBQSMNLKTSO-XMMPIXPASA-N 0 0 449.522 5.278 50 0 IKAARN CC(C)c1ccc(Sc2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000003007833 569435226 /nfs/dbraw/zinc/43/52/26/569435226.db2.gz FNGOKWBGMYKXBG-LJQANCHMSA-N 0 0 426.585 7.000 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCCN(CC)c3ccccc3)c3ccccc3n2)cc1 ZINC000003007997 569435237 /nfs/dbraw/zinc/43/52/37/569435237.db2.gz SSFUXBFTZPYWNJ-UHFFFAOYSA-N 0 0 439.559 5.557 50 0 IKAARN C[C@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000057452443 569435365 /nfs/dbraw/zinc/43/53/65/569435365.db2.gz UALUEOHVMCIOCF-ORAYPTAESA-N 0 0 433.346 5.356 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 ZINC000003011796 569435390 /nfs/dbraw/zinc/43/53/90/569435390.db2.gz WXHSPRJVQCBVBU-UYAOXDASSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)c1C ZINC000003011993 569435433 /nfs/dbraw/zinc/43/54/33/569435433.db2.gz ODJFFUZSLVHOPT-IEBWSBKVSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000003011982 569435439 /nfs/dbraw/zinc/43/54/39/569435439.db2.gz JKJMSCZRCBDIEX-WMZOPIPTSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)c1C ZINC000003011991 569435444 /nfs/dbraw/zinc/43/54/44/569435444.db2.gz ODJFFUZSLVHOPT-PKOBYXMFSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)c(C)c1 ZINC000003018027 569435524 /nfs/dbraw/zinc/43/55/24/569435524.db2.gz ZPXOOSUZJPQCBP-UHFFFAOYSA-N 0 0 431.536 5.707 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1cccs1 ZINC000057473451 569435750 /nfs/dbraw/zinc/43/57/50/569435750.db2.gz NQBYTQKPWBKAOP-UHFFFAOYSA-N 0 0 449.601 5.048 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)c2cccc(C)c2)c1 ZINC000003023429 569436143 /nfs/dbraw/zinc/43/61/43/569436143.db2.gz MGZQKNWCTMXHJF-UHFFFAOYSA-N 0 0 440.540 5.164 50 0 IKAARN CCOc1ccccc1-n1c2[nH]c(=S)n(-c3ccccc3C)c(=O)c2sc1=S ZINC000003027000 569436258 /nfs/dbraw/zinc/43/62/58/569436258.db2.gz FEZJAPPJPJQCEW-UHFFFAOYSA-N 0 0 427.576 5.337 50 0 IKAARN CCc1ccc(-n2c3nc(SC)n(-c4ccccc4OC)c(=O)c3sc2=S)cc1 ZINC000003027100 569436339 /nfs/dbraw/zinc/43/63/39/569436339.db2.gz QQSBAZGWNNTGLI-UHFFFAOYSA-N 0 0 441.603 5.260 50 0 IKAARN Cc1ccccc1C(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccccc2)c1 ZINC000057486267 569436418 /nfs/dbraw/zinc/43/64/18/569436418.db2.gz MNUQJVIWKORLMS-UHFFFAOYSA-N 0 0 441.556 5.086 50 0 IKAARN Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000057486258 569436437 /nfs/dbraw/zinc/43/64/37/569436437.db2.gz HNJRCTRGQGZKQI-UHFFFAOYSA-N 0 0 441.556 5.086 50 0 IKAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(C(C)C)cc2)c1 ZINC000057486303 569436464 /nfs/dbraw/zinc/43/64/64/569436464.db2.gz LNPYZBVDGQBNMM-UHFFFAOYSA-N 0 0 435.593 5.501 50 0 IKAARN CCc1ccc(NC(=S)N(Cc2cn(CC)c3ccccc23)Cc2ccccc2)cc1 ZINC000003029295 569436520 /nfs/dbraw/zinc/43/65/20/569436520.db2.gz YVLLQOPCBRQLGW-UHFFFAOYSA-N 0 0 427.617 6.623 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2c(C)cccc2C)c2ccccc21 ZINC000003029292 569436526 /nfs/dbraw/zinc/43/65/26/569436526.db2.gz UMPPJSISQUMSKW-UHFFFAOYSA-N 0 0 427.617 6.677 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2ccc(C)cc2Cl)c2ccccc21 ZINC000003029297 569436549 /nfs/dbraw/zinc/43/65/49/569436549.db2.gz VVBLNJLRTVGTPR-UHFFFAOYSA-N 0 0 448.035 7.022 50 0 IKAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2Cl)c1 ZINC000057487384 569436727 /nfs/dbraw/zinc/43/67/27/569436727.db2.gz OJILINKLNDVCJQ-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccsc3c2=O)c1 ZINC000057487423 569436732 /nfs/dbraw/zinc/43/67/32/569436732.db2.gz LEQFOAGSXMKJDC-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2cccc(Cl)c2)c1 ZINC000057487419 569436757 /nfs/dbraw/zinc/43/67/57/569436757.db2.gz JATBCGMWWDGWCH-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN CCOc1ccc2c(c1)[C@H](SCC(=O)NCc1ccc(Cl)cc1)CC1(CCCC1)O2 ZINC000003029936 569436785 /nfs/dbraw/zinc/43/67/85/569436785.db2.gz UQKFWIHSHQBBAT-JOCHJYFZSA-N 0 0 446.012 5.925 50 0 biogenic IKAARN CCOc1ccc2c(c1)[C@H](SCC(=O)NCc1ccc(OC)cc1)CC1(CCCC1)O2 ZINC000003029940 569436811 /nfs/dbraw/zinc/43/68/11/569436811.db2.gz LGBGPHHLEIUCBI-HSZRJFAPSA-N 0 0 441.593 5.280 50 0 biogenic IKAARN CCOc1ccc2c(c1)[C@H](SCC(=O)NCc1ccc(C)cc1)CC1(CCCC1)O2 ZINC000003030017 569436840 /nfs/dbraw/zinc/43/68/40/569436840.db2.gz GVMMOFPRCIZMRO-HSZRJFAPSA-N 0 0 425.594 5.580 50 0 biogenic IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)cc1 ZINC000057488442 569436939 /nfs/dbraw/zinc/43/69/39/569436939.db2.gz KUYSACNFFMKLBC-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CCc1ccc2nc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)sc2c1 ZINC000003031633 569437711 /nfs/dbraw/zinc/43/77/11/569437711.db2.gz FFAQOXKDXWLABK-UHFFFAOYSA-N 0 0 428.001 5.087 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000003033184 569437817 /nfs/dbraw/zinc/43/78/17/569437817.db2.gz YGQGUNHNIRTPLT-OAQYLSRUSA-N 0 0 445.469 5.151 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000003033224 569437832 /nfs/dbraw/zinc/43/78/32/569437832.db2.gz AHQXSFOUTHCYEL-UHFFFAOYSA-N 0 0 429.523 6.202 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000003033222 569437835 /nfs/dbraw/zinc/43/78/35/569437835.db2.gz INZHSMOLFKXJBL-UHFFFAOYSA-N 0 0 445.522 5.902 50 0 biogenic IKAARN Cc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3nc2-c2ccc(C)cc2)cc1 ZINC000003033537 569437901 /nfs/dbraw/zinc/43/79/01/569437901.db2.gz HVNLWZWKFVSURQ-UHFFFAOYSA-N 0 0 435.571 6.643 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000003035039 569437921 /nfs/dbraw/zinc/43/79/21/569437921.db2.gz XOEXTCAOCMMUGK-UHFFFAOYSA-N 0 0 436.846 5.060 50 0 IKAARN Cc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000003038525 569438004 /nfs/dbraw/zinc/43/80/04/569438004.db2.gz MAZQKDXVXYWFEH-WVSXHZKHSA-N 0 0 438.999 5.182 50 0 IKAARN CCc1cccc(C)c1NC(=S)N(Cc1ccc(Cl)cc1)CP(=O)(OC)OC ZINC000003039549 569438022 /nfs/dbraw/zinc/43/80/22/569438022.db2.gz QYTBEVQQHWFFQK-UHFFFAOYSA-N 0 0 440.933 5.853 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(Cl)cc2)N1C1CCCCCCC1 ZINC000003039023 569438043 /nfs/dbraw/zinc/43/80/43/569438043.db2.gz WXWMHAMNWFISOB-XMMPIXPASA-N 0 0 431.020 5.888 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000003039941 569438064 /nfs/dbraw/zinc/43/80/64/569438064.db2.gz YVGQRZBBBNDVFD-UHFFFAOYSA-N 0 0 439.367 6.623 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(Cl)cc2)N1CCC1=CCCCC1 ZINC000003039019 569438067 /nfs/dbraw/zinc/43/80/67/569438067.db2.gz RHJNJVXZSOCIME-XMMPIXPASA-N 0 0 429.004 5.665 50 0 IKAARN Cc1ccc(CN2c3cc(C(=O)NCCC(C)C)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040145 569438110 /nfs/dbraw/zinc/43/81/10/569438110.db2.gz BMVOVFVXXSKKDJ-UHFFFAOYSA-N 0 0 444.600 6.083 50 0 IKAARN Cc1nc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)nn2c(C)c1Cc1ccccc1 ZINC000003040288 569438119 /nfs/dbraw/zinc/43/81/19/569438119.db2.gz MQKFVGOMPLTDTR-UHFFFAOYSA-N 0 0 445.592 5.186 50 0 IKAARN O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)Sc1ccccc1Cl ZINC000003041339 569438396 /nfs/dbraw/zinc/43/83/96/569438396.db2.gz XAABMYMFBQNSMD-UHFFFAOYSA-N 0 0 439.751 6.181 50 0 IKAARN CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003040819 569438398 /nfs/dbraw/zinc/43/83/98/569438398.db2.gz LGFGIUYCEVCLGQ-UHFFFAOYSA-N 0 0 430.573 5.774 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)cn(Cc2c(Cl)cccc2Cl)c1=O ZINC000003041654 569438487 /nfs/dbraw/zinc/43/84/87/569438487.db2.gz JMVZFHPXJDWULA-UHFFFAOYSA-N 0 0 443.664 5.387 50 0 IKAARN Cc1nc2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccc(Cl)cc1 ZINC000003045251 569438654 /nfs/dbraw/zinc/43/86/54/569438654.db2.gz PFNTVSBJMMCHBS-UHFFFAOYSA-N 0 0 439.346 5.174 50 0 IKAARN O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000003047514 569438668 /nfs/dbraw/zinc/43/86/68/569438668.db2.gz ONIMIGROIDOSKL-UHFFFAOYSA-N 0 0 439.367 6.965 50 0 IKAARN O=C(CNc1ccccc1N1CCCC1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000057517374 569438716 /nfs/dbraw/zinc/43/87/16/569438716.db2.gz YQBCRAXBHDLDGN-HSZRJFAPSA-N 0 0 443.572 5.106 50 0 IKAARN COC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(=O)Nc2c(F)cccc2F)c1 ZINC000003048189 569438835 /nfs/dbraw/zinc/43/88/35/569438835.db2.gz RKFLPXDJWWLDOG-UHFFFAOYSA-N 0 0 428.460 5.855 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc(Sc2ccc(F)cc2)c(NC(C)=O)c1 ZINC000003048805 569438850 /nfs/dbraw/zinc/43/88/50/569438850.db2.gz JUXVICMVWWTCSO-UHFFFAOYSA-N 0 0 438.524 5.264 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1Sc1ccc(F)cc1 ZINC000003048853 569438868 /nfs/dbraw/zinc/43/88/68/569438868.db2.gz HNBBNZBKZGIXFW-JOCHJYFZSA-N 0 0 434.536 5.743 50 0 IKAARN CC(=O)Nc1cc(C(=O)NCCC2=CCCCC2)ccc1Sc1ccc(Cl)cc1 ZINC000003048892 569438883 /nfs/dbraw/zinc/43/88/83/569438883.db2.gz ZCQCTQMHDIMQGC-UHFFFAOYSA-N 0 0 428.985 6.070 50 0 IKAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccccc1Cl ZINC000003049296 569438916 /nfs/dbraw/zinc/43/89/16/569438916.db2.gz DOXUIJPACLJBMI-UHFFFAOYSA-N 0 0 439.846 5.539 50 0 IKAARN CC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2Cl)ccc1Sc1ccc(C)cc1 ZINC000003049226 569438942 /nfs/dbraw/zinc/43/89/42/569438942.db2.gz ICVSEEACFLJZDV-UHFFFAOYSA-N 0 0 442.943 5.827 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 ZINC000057523141 569439046 /nfs/dbraw/zinc/43/90/46/569439046.db2.gz BTOWRAPBXRMFMI-UHFFFAOYSA-N 0 0 446.576 5.002 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2c3ccccc3oc2c(=O)n1C1CCCC1 ZINC000057523222 569439064 /nfs/dbraw/zinc/43/90/64/569439064.db2.gz IAVJOBPYGOUOKM-UHFFFAOYSA-N 0 0 447.560 5.605 50 0 IKAARN CCc1cc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2cccc(Cl)c2)n1 ZINC000057527851 569439171 /nfs/dbraw/zinc/43/91/71/569439171.db2.gz JXMBNUUQGFIWJZ-UHFFFAOYSA-N 0 0 436.726 5.072 50 0 IKAARN Clc1cccc(Cc2nc3ccccc3c(OCc3c(Cl)cccc3Cl)n2)c1 ZINC000003050971 569439172 /nfs/dbraw/zinc/43/91/72/569439172.db2.gz BHTYAGBVKRRAOQ-UHFFFAOYSA-N 0 0 429.734 6.760 50 0 IKAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1c[nH]c2ccccc12)C1CCCC1 ZINC000003051329 569439194 /nfs/dbraw/zinc/43/91/94/569439194.db2.gz XKNLTVVOOVBTOG-UHFFFAOYSA-N 0 0 441.600 7.102 50 0 IKAARN O=c1c2cccnc2n(-c2cc(Cl)ccc2Cl)n1Cc1c(Cl)cccc1Cl ZINC000003051214 569439222 /nfs/dbraw/zinc/43/92/22/569439222.db2.gz USBMFVDLITUNFE-UHFFFAOYSA-N 0 0 439.129 5.849 50 0 IKAARN COc1ccccc1CNC(=O)c1cc(Nc2cccc(SC)c2)nc2ccccc21 ZINC000003055465 569439352 /nfs/dbraw/zinc/43/93/52/569439352.db2.gz YJAAGFWCGMWSRH-UHFFFAOYSA-N 0 0 429.545 5.639 50 0 IKAARN O=C(c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2)N1CCCCC1 ZINC000003056276 569439374 /nfs/dbraw/zinc/43/93/74/569439374.db2.gz ZJORXAGCXJWMIA-UHFFFAOYSA-N 0 0 446.547 5.763 50 0 IKAARN CC(C)OCCCNC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003057745 569439425 /nfs/dbraw/zinc/43/94/25/569439425.db2.gz WHUHSVPLGCJAPP-UHFFFAOYSA-N 0 0 431.458 5.542 50 0 IKAARN CC[C@@H](C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(Cc2cccc(C)c2)C1=O ZINC000003061855 569439597 /nfs/dbraw/zinc/43/95/97/569439597.db2.gz QNAAQYPNHRMQJJ-KBMIEXCESA-N 0 0 430.979 6.447 50 0 IKAARN COc1ccc(Oc2nc3ccccc3c3nnc(-c4ccc(Br)cc4)n32)cc1 ZINC000003063646 569439651 /nfs/dbraw/zinc/43/96/51/569439651.db2.gz MRYWKCYCYGJREE-UHFFFAOYSA-N 0 0 447.292 5.508 50 0 IKAARN Clc1ccc(Cc2nc3ccccc3c(NCc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000003063759 569439652 /nfs/dbraw/zinc/43/96/52/569439652.db2.gz SSFSKERVXQTMMC-UHFFFAOYSA-N 0 0 428.750 6.793 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064078 569439724 /nfs/dbraw/zinc/43/97/24/569439724.db2.gz ZLDWMGDHPGBPGI-UCHNXLLDSA-N 0 0 426.541 5.579 50 0 IKAARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003069509 569439786 /nfs/dbraw/zinc/43/97/86/569439786.db2.gz CDVFPUBWYDQHFF-UHFFFAOYSA-N 0 0 436.540 6.038 50 0 IKAARN CC1=CC(C)(C)N=C(SC(c2ccccc2)c2ccccc2)N1c1ccc(Cl)cc1 ZINC000003074935 569439839 /nfs/dbraw/zinc/43/98/39/569439839.db2.gz YTHMIBRNYNGZFZ-UHFFFAOYSA-N 0 0 433.020 7.721 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNc1cc(Cl)ccc1N1CCCCC1 ZINC000057574272 569439921 /nfs/dbraw/zinc/43/99/21/569439921.db2.gz CPYUFSVOCWVIPM-INIZCTEOSA-N 0 0 443.016 5.572 50 0 IKAARN c1ccc(-c2ccc(C3=NN4[C@@H](C3)c3ccccc3O[C@H]4c3ccc4c(c3)OCO4)cc2)cc1 ZINC000230190297 569440032 /nfs/dbraw/zinc/44/00/32/569440032.db2.gz MIPVESRQRJKQNG-SVEHJYQDSA-N 0 0 446.506 6.325 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000003093625 569440077 /nfs/dbraw/zinc/44/00/77/569440077.db2.gz PNMNZFZAHNCPRO-UHFFFAOYSA-N 0 0 445.522 6.615 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003097401 569440156 /nfs/dbraw/zinc/44/01/56/569440156.db2.gz LYHMZNJKSHIWAB-UHFFFAOYSA-N 0 0 435.914 6.870 50 0 IKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Br)cc1 ZINC000003104401 569440203 /nfs/dbraw/zinc/44/02/03/569440203.db2.gz ANRVRXASOQUWCG-GFCCVEGCSA-N 0 0 430.820 5.492 50 0 IKAARN Clc1ccc(Sc2ccccc2CSCc2ccc(Cl)cc2Cl)cc1 ZINC000003104410 569440207 /nfs/dbraw/zinc/44/02/07/569440207.db2.gz UQZSNTMVWVYXHB-UHFFFAOYSA-N 0 0 425.833 8.231 50 0 IKAARN C[C@@H](C(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000003105477 569440259 /nfs/dbraw/zinc/44/02/59/569440259.db2.gz KPYVSPPNFLPYRR-ZCFIWIBFSA-N 0 0 448.055 5.621 50 0 IKAARN O=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1Cc1ncc(C(F)(F)F)cc1Cl ZINC000003105468 569440262 /nfs/dbraw/zinc/44/02/62/569440262.db2.gz LIYNJSOXIQLZNA-NRFANRHFSA-N 0 0 445.872 6.128 50 0 IKAARN Cn1nc(CSc2ccc(Cl)cc2)c(CSc2cccc(Cl)c2)c1Cl ZINC000003105795 569440281 /nfs/dbraw/zinc/44/02/81/569440281.db2.gz FVCFVCDWNLOPOY-UHFFFAOYSA-N 0 0 429.825 6.965 50 0 IKAARN O=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1Cl ZINC000003111109 569440371 /nfs/dbraw/zinc/44/03/71/569440371.db2.gz JXVCZHSMDCYHKN-UHFFFAOYSA-N 0 0 442.289 7.416 50 0 IKAARN O=C(Nc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000003116612 569440429 /nfs/dbraw/zinc/44/04/29/569440429.db2.gz QODAMKXFEXVZGY-UHFFFAOYSA-N 0 0 438.307 5.359 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000003116775 569440492 /nfs/dbraw/zinc/44/04/92/569440492.db2.gz UDOSTAWETWSYHY-UHFFFAOYSA-N 0 0 439.842 5.444 50 0 IKAARN COc1cnc(SCc2ccc(Cl)cc2Cl)nc1Sc1ccc(Cl)cc1 ZINC000003133201 569440696 /nfs/dbraw/zinc/44/06/96/569440696.db2.gz QDCWXNCMEFQIBF-UHFFFAOYSA-N 0 0 443.808 6.889 50 0 IKAARN CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000003134823 569440713 /nfs/dbraw/zinc/44/07/13/569440713.db2.gz RLGDVYSIBWKRLB-UHFFFAOYSA-N 0 0 434.388 7.184 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003134474 569440763 /nfs/dbraw/zinc/44/07/63/569440763.db2.gz IJUDJBGJMXZFQD-UHFFFAOYSA-N 0 0 440.343 5.187 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1OCc1ccc(Cl)cc1Cl ZINC000003134861 569440820 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COc1ccc2c(CCNc3nc(-c4ccc(C5CCCCC5)cc4)cs3)c[nH]c2c1 ZINC000003304662 569445181 /nfs/dbraw/zinc/44/51/81/569445181.db2.gz WEBIRXXNCQLXPE-UHFFFAOYSA-N 0 0 431.605 7.002 50 0 IKAARN CCc1cccc(C)c1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003304070 569445194 /nfs/dbraw/zinc/44/51/94/569445194.db2.gz NBOUCPQEGMTLLM-UHFFFAOYSA-N 0 0 439.515 5.206 50 0 IKAARN COc1ccc(-c2cc(C(=O)Oc3ccccc3NC(C)=O)c3ccccc3n2)cc1OC ZINC000003305539 569445216 /nfs/dbraw/zinc/44/52/16/569445216.db2.gz RMSAFELHJNQDEM-UHFFFAOYSA-N 0 0 442.471 5.097 50 0 IKAARN Cc1ccc(NC(=S)NC(=O)c2ccc(Oc3ccccc3)cc2)c(Br)c1 ZINC000003305476 569445250 /nfs/dbraw/zinc/44/52/50/569445250.db2.gz IYRJXHQSVYDAOD-UHFFFAOYSA-N 0 0 441.350 5.677 50 0 IKAARN O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(F)(F)F ZINC000003308222 569445315 /nfs/dbraw/zinc/44/53/15/569445315.db2.gz GMQSFKBXRMLSQS-UHFFFAOYSA-N 0 0 440.400 5.923 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(Br)s1 ZINC000003309979 569445432 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CCOc1ccc(OCCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000003321277 569445954 /nfs/dbraw/zinc/44/59/54/569445954.db2.gz FOMWUINCVGZRJZ-UHFFFAOYSA-N 0 0 429.545 5.775 50 0 IKAARN CC(C)(C)c1ccc(OCc2nnc(SCc3ccc(Br)cc3)o2)cc1 ZINC000003320492 569445991 /nfs/dbraw/zinc/44/59/91/569445991.db2.gz GBYSCWURWLDWIN-UHFFFAOYSA-N 0 0 433.371 6.001 50 0 IKAARN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCC(=O)Nc2ccc(C)cc2)cc1 ZINC000003321741 569445993 /nfs/dbraw/zinc/44/59/93/569445993.db2.gz JMIDIRUQYIZPFX-UHFFFAOYSA-N 0 0 444.453 6.255 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003322924 569446008 /nfs/dbraw/zinc/44/60/08/569446008.db2.gz WYGUTCPNYYPQKR-UHFFFAOYSA-N 0 0 435.574 5.253 50 0 IKAARN CN(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003322630 569446010 /nfs/dbraw/zinc/44/60/10/569446010.db2.gz KVENPFXBTRGLQV-UHFFFAOYSA-N 0 0 437.710 5.107 50 0 IKAARN CCOc1ccc(NC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000003321861 569446021 /nfs/dbraw/zinc/44/60/21/569446021.db2.gz RYXAKYXRCLHMIB-UHFFFAOYSA-N 0 0 437.503 5.115 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000003323248 569446061 /nfs/dbraw/zinc/44/60/61/569446061.db2.gz WUACONONDOVMCN-UHFFFAOYSA-N 0 0 430.485 5.223 50 0 IKAARN S=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 ZINC000003324451 569446150 /nfs/dbraw/zinc/44/61/50/569446150.db2.gz SXOJXZZMQVWRLR-UHFFFAOYSA-N 0 0 449.826 7.063 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000003324205 569446153 /nfs/dbraw/zinc/44/61/53/569446153.db2.gz CNBYSYJODWNUME-IAGOWNOFSA-N 0 0 432.659 5.317 50 0 IKAARN Clc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000003326246 569446208 /nfs/dbraw/zinc/44/62/08/569446208.db2.gz SBRNZIXCRIETHT-UHFFFAOYSA-N 0 0 446.963 6.240 50 0 IKAARN COc1ccc(CCNC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)cc1 ZINC000003327059 569446245 /nfs/dbraw/zinc/44/62/45/569446245.db2.gz ZCRTZKLLMCIQEX-UHFFFAOYSA-N 0 0 449.601 5.440 50 0 IKAARN Cc1ccc(C(=O)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(C)c1 ZINC000003328998 569446302 /nfs/dbraw/zinc/44/63/02/569446302.db2.gz YOZYHWJTNXSAAV-UHFFFAOYSA-N 0 0 441.600 6.781 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003329143 569446350 /nfs/dbraw/zinc/44/63/50/569446350.db2.gz NYVTZVXUJKTWGG-UHFFFAOYSA-N 0 0 442.899 5.579 50 0 IKAARN CC(C)c1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1 ZINC000003330746 569446401 /nfs/dbraw/zinc/44/64/01/569446401.db2.gz FOAJEJSOLTWMDN-PKOBYXMFSA-N 0 0 447.423 5.320 50 0 IKAARN Clc1ccc(-c2ccc(-c3nn4c(Cc5ccccc5)nnc4s3)o2)cc1Cl ZINC000003330721 569446413 /nfs/dbraw/zinc/44/64/13/569446413.db2.gz UBNAXDMTBCAESF-UHFFFAOYSA-N 0 0 427.316 6.010 50 0 IKAARN CC(C)c1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1 ZINC000003330749 569446439 /nfs/dbraw/zinc/44/64/39/569446439.db2.gz FOAJEJSOLTWMDN-MJGOQNOKSA-N 0 0 447.423 5.320 50 0 IKAARN C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003332273 569446458 /nfs/dbraw/zinc/44/64/58/569446458.db2.gz QYIFWCLOTNBLSK-MRXNPFEDSA-N 0 0 427.422 5.408 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)NN=c2nc[nH]c3scc(-c4ccccc4)c32)c1 ZINC000003332287 569446490 /nfs/dbraw/zinc/44/64/90/569446490.db2.gz PTDRJWALAYXFMO-UHFFFAOYSA-N 0 0 445.495 5.691 50 0 IKAARN Cc1ccc(-c2csc(=S)n2CC(=O)OCc2ccc(Br)cc2)cc1 ZINC000003334179 569446598 /nfs/dbraw/zinc/44/65/98/569446598.db2.gz UXXIVFAHXMCWMF-UHFFFAOYSA-N 0 0 434.380 5.760 50 0 IKAARN C[C@H](Cc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1N)c1ccccc1 ZINC000003335997 569446653 /nfs/dbraw/zinc/44/66/53/569446653.db2.gz JKKRETNLFBFQSV-GOSISDBHSA-N 0 0 434.609 5.361 50 0 IKAARN C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003336021 569446655 /nfs/dbraw/zinc/44/66/55/569446655.db2.gz VPSKQOFXKKXUHI-IBGZPJMESA-N 0 0 439.486 6.130 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000003336740 569446656 /nfs/dbraw/zinc/44/66/56/569446656.db2.gz UZOPGBATXQGZCK-RLWLMLJZSA-N 0 0 428.576 5.624 50 0 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50 0 IKAARN CCC(CC)c1nnc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)s1 ZINC000003345084 569447039 /nfs/dbraw/zinc/44/70/39/569447039.db2.gz VQGAYNNHHSWPLY-UHFFFAOYSA-N 0 0 434.974 5.661 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)cc1C ZINC000003344533 569447055 /nfs/dbraw/zinc/44/70/55/569447055.db2.gz FMFJTJATFWEBSR-UHFFFAOYSA-N 0 0 438.500 5.648 50 0 IKAARN CC(C)c1ccccc1-n1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 ZINC000003346147 569447105 /nfs/dbraw/zinc/44/71/05/569447105.db2.gz FYFLSTBOMCFVGW-UHFFFAOYSA-N 0 0 432.524 5.567 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCCSc1ncnc2scc(-c3ccccc3)c21 ZINC000003348070 569447192 /nfs/dbraw/zinc/44/71/92/569447192.db2.gz UFMCXZAZIDBSRR-UHFFFAOYSA-N 0 0 433.602 6.486 50 0 IKAARN CCCCN(CC)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000003347551 569447220 /nfs/dbraw/zinc/44/72/20/569447220.db2.gz AUKCYTLPKCCOOK-UHFFFAOYSA-N 0 0 432.058 6.752 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nnc(-c2ccccc2)o1 ZINC000003348179 569447249 /nfs/dbraw/zinc/44/72/49/569447249.db2.gz AHEDXEVVWAIWCS-UHFFFAOYSA-N 0 0 429.973 6.026 50 0 IKAARN CCOc1ccc2cc(-c3nc(-c4ccccc4)sc3-c3ccc(C)cc3)c(=O)oc2c1 ZINC000003349868 569447302 /nfs/dbraw/zinc/44/73/02/569447302.db2.gz CHCVRWMYHYQEAF-UHFFFAOYSA-N 0 0 439.536 6.958 50 0 IKAARN O=C(COc1ncnc2sc3c(c21)CCCC3)N(C1CCCCC1)C1CCCCC1 ZINC000003349557 569447309 /nfs/dbraw/zinc/44/73/09/569447309.db2.gz JECLDIFGDQLOLT-UHFFFAOYSA-N 0 0 427.614 5.443 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2c[nH]c3ccccc32)c1 ZINC000003352149 569447413 /nfs/dbraw/zinc/44/74/13/569447413.db2.gz POGLLUQZESMBLB-UHFFFAOYSA-N 0 0 447.608 5.462 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003352048 569447430 /nfs/dbraw/zinc/44/74/30/569447430.db2.gz XQOBXFNGIGSIKL-SFHVURJKSA-N 0 0 446.551 5.276 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(C)c1ccccc1 ZINC000003352055 569447439 /nfs/dbraw/zinc/44/74/39/569447439.db2.gz MXLMCJDYLIFGOG-MRXNPFEDSA-N 0 0 441.000 5.857 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(SCCOc4ccc(Br)cc4)c32)C1 ZINC000003352647 569447486 /nfs/dbraw/zinc/44/74/86/569447486.db2.gz AVHNNZGRPYNSHY-GFCCVEGCSA-N 0 0 435.412 5.750 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 ZINC000003354553 569447510 /nfs/dbraw/zinc/44/75/10/569447510.db2.gz FYQFEMTVPBICHE-UHFFFAOYSA-N 0 0 438.940 5.319 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1c[nH]c2ccccc21 ZINC000003355067 569447581 /nfs/dbraw/zinc/44/75/81/569447581.db2.gz MZGDINDLJXCBHX-UHFFFAOYSA-N 0 0 436.606 5.892 50 0 IKAARN CC(=O)c1ccccc1OCCSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000003356403 569447627 /nfs/dbraw/zinc/44/76/27/569447627.db2.gz BQOKMJDTIPBMIO-UHFFFAOYSA-N 0 0 430.533 5.011 50 0 IKAARN Cc1ccc(-c2ccc(OC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c(C)c2)cc1 ZINC000003358607 569447768 /nfs/dbraw/zinc/44/77/68/569447768.db2.gz JBBRMDHMZMMZFT-UHFFFAOYSA-N 0 0 449.572 5.364 50 0 IKAARN O=C(Nc1nc(COc2ccc(Cl)cc2Cl)cs1)c1cc(=O)c2ccccc2o1 ZINC000003358969 569447769 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/nfs/dbraw/zinc/44/88/85/569448885.db2.gz QZFGIHPNARCQKG-SFHVURJKSA-N 0 0 448.588 5.376 50 0 IKAARN CC1CCC2(CC1)NC(=O)N(Cc1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C2=O ZINC000003384250 569448912 /nfs/dbraw/zinc/44/89/12/569448912.db2.gz JUVYLXSDLZLHOT-UHFFFAOYSA-N 0 0 448.954 5.193 50 0 IKAARN c1csc(Cc2nnc(SCc3nnc(-c4cccs4)o3)n2C2CCCCC2)c1 ZINC000003385823 569448991 /nfs/dbraw/zinc/44/89/91/569448991.db2.gz JZSVMTKSVMHLTL-UHFFFAOYSA-N 0 0 443.623 5.839 50 0 IKAARN COc1cc2c(cc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1)oc1ccccc12 ZINC000003390059 569449163 /nfs/dbraw/zinc/44/91/63/569449163.db2.gz GFXGNEDZXQSBFU-UHFFFAOYSA-N 0 0 442.437 5.684 50 0 IKAARN CCn1cc(Br)cc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000058167453 569449475 /nfs/dbraw/zinc/44/94/75/569449475.db2.gz DABVQMVGXBMYIQ-UHFFFAOYSA-N 0 0 427.302 5.167 50 0 IKAARN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000058167466 569449504 /nfs/dbraw/zinc/44/95/04/569449504.db2.gz NYHZDLFVEBSRDM-JPYJTQIMSA-N 0 0 427.504 5.481 50 0 IKAARN O=c1cc(CSc2ncnc3sc4c(c32)CCC4)nc2scc(-c3ccccc3)n21 ZINC000003401270 569449785 /nfs/dbraw/zinc/44/97/85/569449785.db2.gz DKPIOOVLBJFUJX-UHFFFAOYSA-N 0 0 448.598 5.209 50 0 IKAARN C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)csc2C1 ZINC000003400342 569449790 /nfs/dbraw/zinc/44/97/90/569449790.db2.gz UHURPIRNOIUONF-MRXNPFEDSA-N 0 0 437.586 5.820 50 0 IKAARN CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000003406984 569449954 /nfs/dbraw/zinc/44/99/54/569449954.db2.gz VEMQNAVCUQYLSC-UHFFFAOYSA-N 0 0 429.538 5.924 50 0 IKAARN COc1ccc(CCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000003409655 569450032 /nfs/dbraw/zinc/45/00/32/569450032.db2.gz JHNUYNUVYRXPGE-RUZDIDTESA-N 0 0 441.575 5.123 50 0 IKAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 ZINC000003421339 569450419 /nfs/dbraw/zinc/45/04/19/569450419.db2.gz VRLITNRRSVMNLT-UHFFFAOYSA-N 0 0 443.572 5.101 50 0 IKAARN CC(=O)c1ccc(N(C(=O)CCCOc2cccc(C)c2)c2nc3ccccc3s2)cc1 ZINC000003421020 569450455 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COc1cc(C)c(CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)cc1OC ZINC000003435834 569451047 /nfs/dbraw/zinc/45/10/47/569451047.db2.gz NJCIDWUQJNNXQB-UHFFFAOYSA-N 0 0 446.572 5.620 50 0 IKAARN Cc1cc(NC(=O)c2cc3nc(Nc4ccccc4)sc3s2)ccc1Br ZINC000003437781 569451115 /nfs/dbraw/zinc/45/11/15/569451115.db2.gz OGBVUQOSRQNZSI-UHFFFAOYSA-N 0 0 444.379 6.425 50 0 IKAARN Cc1ccc2nc(COC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc43)cn2c1 ZINC000003441588 569451207 /nfs/dbraw/zinc/45/12/07/569451207.db2.gz NTXLTYSSARENPL-UHFFFAOYSA-N 0 0 427.891 5.868 50 0 IKAARN CC(=O)Nc1ccc(SCc2csc(CC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000003447386 569451449 /nfs/dbraw/zinc/45/14/49/569451449.db2.gz IIEUCZJKDRHNFN-UHFFFAOYSA-N 0 0 425.579 5.192 50 0 IKAARN Cc1cccc(-n2nnnc2S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 ZINC000003450179 569451598 /nfs/dbraw/zinc/45/15/98/569451598.db2.gz WSFYCFDZBOLSMZ-JOCHJYFZSA-N 0 0 429.549 5.060 50 0 IKAARN Cc1ccc(C)c(-c2csc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)n2)c1 ZINC000003452031 569451655 /nfs/dbraw/zinc/45/16/55/569451655.db2.gz NGEMTHYSZHHCAY-UHFFFAOYSA-N 0 0 433.577 5.226 50 0 IKAARN COc1cccc(CN[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c1 ZINC000003454215 569451734 /nfs/dbraw/zinc/45/17/34/569451734.db2.gz HDURPLSRIYOWNE-NRFANRHFSA-N 0 0 448.872 5.837 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000003469547 569452037 /nfs/dbraw/zinc/45/20/37/569452037.db2.gz ZFFMURPMNSLVIL-UHFFFAOYSA-N 0 0 442.437 6.887 50 0 IKAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc(-c2ccccc2)n1 ZINC000003469855 569452065 /nfs/dbraw/zinc/45/20/65/569452065.db2.gz GSEQHIALOGMVHP-UHFFFAOYSA-N 0 0 446.523 6.400 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1 ZINC000003469535 569452073 /nfs/dbraw/zinc/45/20/73/569452073.db2.gz MEHKZINTZUXHDC-UHFFFAOYSA-N 0 0 425.340 7.036 50 0 IKAARN COc1ccc2c(c1)CCc1cc(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)sc1-2 ZINC000003477365 569452235 /nfs/dbraw/zinc/45/22/35/569452235.db2.gz XIOLLFAZJKMUSH-ZDUSSCGKSA-N 0 0 426.921 5.604 50 0 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/nfs/dbraw/zinc/45/38/14/569453814.db2.gz RYZZGWKDHAGLID-UHFFFAOYSA-N 0 0 436.316 5.038 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Sc2c[nH]c3ccccc32)sc2c1CCCC2 ZINC000003582110 569454323 /nfs/dbraw/zinc/45/43/23/569454323.db2.gz PULQCLRYYYKVSN-ZDUSSCGKSA-N 0 0 428.579 5.404 50 0 IKAARN COc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003582519 569454370 /nfs/dbraw/zinc/45/43/70/569454370.db2.gz OKEAKZAAYVBYRN-FQEVSTJZSA-N 0 0 431.483 5.318 50 0 IKAARN COc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(Br)c2)cc1 ZINC000003582506 569454378 /nfs/dbraw/zinc/45/43/78/569454378.db2.gz AUEITVQKXFPYAY-FQEVSTJZSA-N 0 0 442.382 5.061 50 0 IKAARN COc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003582522 569454412 /nfs/dbraw/zinc/45/44/12/569454412.db2.gz OKEAKZAAYVBYRN-HXUWFJFHSA-N 0 0 431.483 5.318 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003582752 569454418 /nfs/dbraw/zinc/45/44/18/569454418.db2.gz LKMFYMLKXRAOLY-OAQYLSRUSA-N 0 0 445.510 5.708 50 0 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ZINC000003615658 569455011 /nfs/dbraw/zinc/45/50/11/569455011.db2.gz UQMXNUWIGZNVPB-HMWPJWQSSA-N 0 0 442.515 5.048 50 0 biogenic IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3n2)cc1 ZINC000003629487 569455171 /nfs/dbraw/zinc/45/51/71/569455171.db2.gz JZPSVUGRGHOHPF-UHFFFAOYSA-N 0 0 431.805 5.024 50 0 IKAARN Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)c(C)c1 ZINC000003629735 569455224 /nfs/dbraw/zinc/45/52/24/569455224.db2.gz NTFLCQPAVJJABI-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3n2)cc1 ZINC000003629600 569455259 /nfs/dbraw/zinc/45/52/59/569455259.db2.gz XMWHRBJBIABGPI-UHFFFAOYSA-N 0 0 440.425 5.293 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000003629740 569455262 /nfs/dbraw/zinc/45/52/62/569455262.db2.gz LDRMMKRIJYSZQD-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)cc2)c3=O)cc1Cl ZINC000003632010 569455379 /nfs/dbraw/zinc/45/53/79/569455379.db2.gz ADYCVGXGOPXOSQ-UHFFFAOYSA-N 0 0 439.899 5.028 50 0 IKAARN CCCCOc1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)cc1 ZINC000003637886 569455469 /nfs/dbraw/zinc/45/54/69/569455469.db2.gz DEEBWCAJTFLIPP-UHFFFAOYSA-N 0 0 444.531 5.096 50 0 IKAARN Cc1cccc2sc(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)nc21 ZINC000003638869 569455516 /nfs/dbraw/zinc/45/55/16/569455516.db2.gz YUCFXHJKHDFGSS-UHFFFAOYSA-N 0 0 433.316 6.336 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)CSCC(=O)N(C)C2CCCCC2)cc1 ZINC000031297390 569455599 /nfs/dbraw/zinc/45/55/99/569455599.db2.gz XOLJDSKASROBRC-UHFFFAOYSA-N 0 0 426.582 5.250 50 0 IKAARN CC(=O)N(Cc1cccc(Br)c1)c1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000003644658 569455600 /nfs/dbraw/zinc/45/56/00/569455600.db2.gz WXBRLCWEYKDUOH-UHFFFAOYSA-N 0 0 435.321 6.119 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc3c(c(Cl)c2c1)CCCC3 ZINC000003645748 569455603 /nfs/dbraw/zinc/45/56/03/569455603.db2.gz LEGUMGQOGGXQQX-UHFFFAOYSA-N 0 0 435.738 6.091 50 0 IKAARN Cc1ccc(CCNC(=O)c2cc(Sc3ccccc3Cl)nc3ccccc32)cc1 ZINC000003655143 569455773 /nfs/dbraw/zinc/45/57/73/569455773.db2.gz OQZHDJWMOFIQJZ-UHFFFAOYSA-N 0 0 432.976 6.320 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000031317586 569455795 /nfs/dbraw/zinc/45/57/95/569455795.db2.gz CDCFWYLFQXMULO-UHFFFAOYSA-N 0 0 446.498 5.126 50 0 IKAARN COc1ccccc1CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003658360 569455835 /nfs/dbraw/zinc/45/58/35/569455835.db2.gz RSWAUCRLICOZIK-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003658379 569455850 /nfs/dbraw/zinc/45/58/50/569455850.db2.gz JKWLEVNVZHEFBP-UHFFFAOYSA-N 0 0 436.939 6.151 50 0 IKAARN COc1ccc([C@H]2[C@H](C(=O)N(C)c3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003661016 569455951 /nfs/dbraw/zinc/45/59/51/569455951.db2.gz HBBWJLHBJYUNGP-FTJBHMTQSA-N 0 0 442.559 5.392 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000003664219 569455963 /nfs/dbraw/zinc/45/59/63/569455963.db2.gz PULLOADRKUIBJT-HYARGMPZSA-N 0 0 447.918 5.971 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000003664220 569456000 /nfs/dbraw/zinc/45/60/00/569456000.db2.gz PULLOADRKUIBJT-HMAPJEAMSA-N 0 0 447.918 5.971 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1ccccc1 ZINC000003667474 569456081 /nfs/dbraw/zinc/45/60/81/569456081.db2.gz PFKCUIFSQPIBEH-UHFFFAOYSA-N 0 0 425.579 5.546 50 0 IKAARN C[C@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccc(Cl)cc1Cl ZINC000031420702 569456440 /nfs/dbraw/zinc/45/64/40/569456440.db2.gz DWDIZUVSTPVRSF-NSHDSACASA-N 0 0 427.378 5.821 50 0 IKAARN COc1ccc(CCCN(C)C(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1OC ZINC000031496127 569456578 /nfs/dbraw/zinc/45/65/78/569456578.db2.gz SJVIOMZSFDVRAM-UHFFFAOYSA-N 0 0 446.906 5.165 50 0 IKAARN Cc1ccc(C)c(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000003878511 569456814 /nfs/dbraw/zinc/45/68/14/569456814.db2.gz IYQADLRAOUAKNL-UHFFFAOYSA-N 0 0 445.354 5.119 50 0 IKAARN CC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003999436 569457732 /nfs/dbraw/zinc/45/77/32/569457732.db2.gz CNXPKARYBROKAV-GJOYABSWSA-N 0 0 435.652 5.975 50 0 biogenic IKAARN Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1-c1nc(-c2ccccc2)no1 ZINC000031814395 569457909 /nfs/dbraw/zinc/45/79/09/569457909.db2.gz FQFUUPFLKZXWAQ-UHFFFAOYSA-N 0 0 429.461 5.076 50 0 IKAARN Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)sc1-c1nc(-c2cccs2)no1 ZINC000031816946 569458030 /nfs/dbraw/zinc/45/80/30/569458030.db2.gz IOJGPFWCEOAEPR-UHFFFAOYSA-N 0 0 426.523 5.270 50 0 IKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCCC(C)(C)C1 ZINC000004028011 569458283 /nfs/dbraw/zinc/45/82/83/569458283.db2.gz KMQXDOWOGVSCSC-GNMKXSIFSA-N 0 0 433.677 6.068 50 0 biogenic IKAARN Cc1cc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1Cl ZINC000031903672 569458316 /nfs/dbraw/zinc/45/83/16/569458316.db2.gz KTEMSOOIKWCOFH-SFHVURJKSA-N 0 0 439.987 5.582 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccc(OC)cc1 ZINC000004043177 569458396 /nfs/dbraw/zinc/45/83/96/569458396.db2.gz JSHXXHUKOLMTHC-XTEPFMGCSA-N 0 0 437.624 5.905 50 0 biogenic IKAARN Cc1cc2occ(CC(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)c2cc1C(C)C ZINC000032003834 569458689 /nfs/dbraw/zinc/45/86/89/569458689.db2.gz WBJFJXVSSZKNIX-UHFFFAOYSA-N 0 0 434.945 5.071 50 0 IKAARN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004082377 569458714 /nfs/dbraw/zinc/45/87/14/569458714.db2.gz JJLPGWRJJWPPAS-UHFFFAOYSA-N 0 0 444.943 6.298 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccc(-c3ccccc3)cc2)CCCCC1 ZINC000004084080 569458776 /nfs/dbraw/zinc/45/87/76/569458776.db2.gz VFJQLCNYWGRKBR-UHFFFAOYSA-N 0 0 440.587 6.384 50 0 IKAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000004089691 569458893 /nfs/dbraw/zinc/45/88/93/569458893.db2.gz YMMQAISCPIBVOX-UHFFFAOYSA-N 0 0 440.952 6.046 50 0 IKAARN C[C@H](Cc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)c1ccccc1 ZINC000059086893 569458943 /nfs/dbraw/zinc/45/89/43/569458943.db2.gz VAQYDWBLDBLXFT-LJQANCHMSA-N 0 0 428.601 5.926 50 0 IKAARN O=C1c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2C(=O)N1c1ccccc1F ZINC000004105003 569459074 /nfs/dbraw/zinc/45/90/74/569459074.db2.gz SBAUFTYMINGQBS-UHFFFAOYSA-N 0 0 435.760 6.091 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004114064 569459526 /nfs/dbraw/zinc/45/95/26/569459526.db2.gz AZDNRTLXKFQZBP-UHFFFAOYSA-N 0 0 428.576 5.932 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)c1 ZINC000032091721 569459589 /nfs/dbraw/zinc/45/95/89/569459589.db2.gz BRYXTGQHKDVWIM-RUZDIDTESA-N 0 0 444.575 5.713 50 0 IKAARN COc1ccc(C2=NN(c3ccc(C(C)(C)C)cc3)[C@@H](c3ccc(SC)cc3)C2)cc1 ZINC000004118591 569459639 /nfs/dbraw/zinc/45/96/39/569459639.db2.gz VATPOSKYCHJWHO-AREMUKBSSA-N 0 0 430.617 7.070 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 ZINC000004122980 569459994 /nfs/dbraw/zinc/45/99/94/569459994.db2.gz WDEWVLGETOKCEN-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1 ZINC000004122974 569460033 /nfs/dbraw/zinc/46/00/33/569460033.db2.gz VOKSUVFGMOXFMU-UHFFFAOYSA-N 0 0 445.544 5.637 50 0 IKAARN COc1ccccc1-n1c(SCc2ccccc2F)nnc1-c1ccccc1Cl ZINC000004145513 569460416 /nfs/dbraw/zinc/46/04/16/569460416.db2.gz TVQPXMFBNVNCOV-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN Cc1ccccc1-n1c(SCc2cccc(F)c2F)nnc1-c1ccccc1Cl ZINC000004145668 569460445 /nfs/dbraw/zinc/46/04/45/569460445.db2.gz NFHLNOBOTIFPIP-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccccc1Cl ZINC000004146113 569460462 /nfs/dbraw/zinc/46/04/62/569460462.db2.gz TWSDNYZLYDRYPK-UHFFFAOYSA-N 0 0 441.000 5.247 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1Cl ZINC000004146114 569460474 /nfs/dbraw/zinc/46/04/74/569460474.db2.gz XFOHREXRCHKTAC-UHFFFAOYSA-N 0 0 448.979 5.305 50 0 IKAARN COc1cccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2C)c1 ZINC000004146098 569460492 /nfs/dbraw/zinc/46/04/92/569460492.db2.gz VNQINLHDRZCFQT-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN COc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)n1-c1ccccc1C ZINC000004184704 569460726 /nfs/dbraw/zinc/46/07/26/569460726.db2.gz AEFYWRFXVUADCT-UHFFFAOYSA-N 0 0 439.943 6.336 50 0 IKAARN COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cc(OC)cc(OC)c2)cc1 ZINC000004184129 569460731 /nfs/dbraw/zinc/46/07/31/569460731.db2.gz FXIUXMJCUKRJFC-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN Cc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000004184154 569460769 /nfs/dbraw/zinc/46/07/69/569460769.db2.gz CYXCJBWIUFNHLS-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(Cl)c2)c1 ZINC000004186408 569460800 /nfs/dbraw/zinc/46/08/00/569460800.db2.gz NKBXQTSEPLSATJ-UHFFFAOYSA-N 0 0 435.858 6.492 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1cccc(Cl)c1)OCc1ccccc1 ZINC000004187015 569460822 /nfs/dbraw/zinc/46/08/22/569460822.db2.gz QTLUEPXNXYPENZ-UHFFFAOYSA-N 0 0 425.897 5.016 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)c1 ZINC000004211473 569460964 /nfs/dbraw/zinc/46/09/64/569460964.db2.gz RJRWIGZGQHFBRT-UHFFFAOYSA-N 0 0 445.544 5.330 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1F ZINC000004209164 569460970 /nfs/dbraw/zinc/46/09/70/569460970.db2.gz QQHOVIIYBLZZCR-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3F)n2-c2ccccc2)c1 ZINC000004211433 569460992 /nfs/dbraw/zinc/46/09/92/569460992.db2.gz GUIXCXUGVIXGDA-UHFFFAOYSA-N 0 0 439.487 5.522 50 0 IKAARN COc1ccc(N[C@@H](CC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1 ZINC000059371637 569461041 /nfs/dbraw/zinc/46/10/41/569461041.db2.gz XECDCZWFKBSFRT-QFIPXVFZSA-N 0 0 440.337 5.893 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F ZINC000004212084 569461048 /nfs/dbraw/zinc/46/10/48/569461048.db2.gz IETSMSWCSHISBM-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN CCC[C@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C)C(=O)OCC ZINC000004212011 569461060 /nfs/dbraw/zinc/46/10/60/569461060.db2.gz BPCCAFQONDULMH-FQEVSTJZSA-N 0 0 425.554 5.075 50 0 IKAARN Fc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000059367191 569461064 /nfs/dbraw/zinc/46/10/64/569461064.db2.gz INDNCLHUVLMFLC-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN CN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(c1ccccc1)c1ccccc1 ZINC000032334669 569461323 /nfs/dbraw/zinc/46/13/23/569461323.db2.gz QHEOUHPYDMGGHQ-UHFFFAOYSA-N 0 0 441.556 5.186 50 0 IKAARN CCOC(=O)C1=C(C)N2C(=N[C@@H]3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)S1 ZINC000229727593 569461413 /nfs/dbraw/zinc/46/14/13/569461413.db2.gz ICBJIYNFSJGZBD-GFQNRGHUSA-N 0 0 444.600 6.193 50 0 IKAARN O=C(CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3)c1ccccc1 ZINC000059514331 569461729 /nfs/dbraw/zinc/46/17/29/569461729.db2.gz RLFWLQOOHSVBOQ-XMMPIXPASA-N 0 0 434.586 5.599 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007986757 569461993 /nfs/dbraw/zinc/46/19/93/569461993.db2.gz KZCSFRVRJJLOQV-UHFFFAOYSA-N 0 0 425.536 5.532 50 0 IKAARN Cc1ccc2cccc(OC(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)cc3)c2n1 ZINC000008161039 569462415 /nfs/dbraw/zinc/46/24/15/569462415.db2.gz SVMXQAQHCXIUPK-UHFFFAOYSA-N 0 0 425.528 6.639 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008231991 569462469 /nfs/dbraw/zinc/46/24/69/569462469.db2.gz GANQUGODZYJLAQ-VWLOTQADSA-N 0 0 427.548 5.031 50 0 IKAARN O=C(c1cccs1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000038257067 569462524 /nfs/dbraw/zinc/46/25/24/569462524.db2.gz FMXAWRCGHYGXPB-JMAOXEMGSA-N 0 0 434.511 6.463 50 0 IKAARN CC[C@H](NC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 ZINC000008326232 569462581 /nfs/dbraw/zinc/46/25/81/569462581.db2.gz XPHQYQCSUJVFEB-LHAYKEAYSA-N 0 0 428.527 5.269 50 0 IKAARN COc1ccccc1OCCn1c2ccccc2nc1SCc1cccc2ccccc21 ZINC000008384526 569462675 /nfs/dbraw/zinc/46/26/75/569462675.db2.gz SEDQOLHIAHXQLB-UHFFFAOYSA-N 0 0 440.568 6.569 50 0 IKAARN Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 ZINC000038486792 569462817 /nfs/dbraw/zinc/46/28/17/569462817.db2.gz WSIYBSWXLBQBKK-UHFFFAOYSA-N 0 0 445.935 6.086 50 0 IKAARN O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)Nc1ccccc1C(F)(F)F ZINC000038488566 569463099 /nfs/dbraw/zinc/46/30/99/569463099.db2.gz VYWWYLFNOVZBGF-UHFFFAOYSA-N 0 0 432.471 5.364 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038534164 569463170 /nfs/dbraw/zinc/46/31/70/569463170.db2.gz UVRJTLISSYQGIB-UHFFFAOYSA-N 0 0 439.840 5.400 50 0 IKAARN CCOC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC ZINC000008398921 569463277 /nfs/dbraw/zinc/46/32/77/569463277.db2.gz KPAJDYMPVILNQI-LJQANCHMSA-N 0 0 442.533 6.248 50 0 IKAARN CCc1cc([C@@H](c2ccccc2Cl)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545925 569463298 /nfs/dbraw/zinc/46/32/98/569463298.db2.gz XDFOKYZBXFRMIB-OAQYLSRUSA-N 0 0 428.985 6.385 50 0 IKAARN COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1OC ZINC000038545906 569463335 /nfs/dbraw/zinc/46/33/35/569463335.db2.gz ALAAMVDEQPAGEA-NRFANRHFSA-N 0 0 440.565 5.494 50 0 IKAARN COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c(OC)c1 ZINC000038546682 569463729 /nfs/dbraw/zinc/46/37/29/569463729.db2.gz DIHICGUEZMGDMA-QFIPXVFZSA-N 0 0 440.565 5.494 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2cccc(F)c2)c1C ZINC000038547042 569463775 /nfs/dbraw/zinc/46/37/75/569463775.db2.gz YBXGDMGOAYDMSF-DEOSSOPVSA-N 0 0 445.563 6.661 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccc(C)cc2)c1C ZINC000038547511 569463783 /nfs/dbraw/zinc/46/37/83/569463783.db2.gz FUHJUNBAHAUNID-XMMPIXPASA-N 0 0 427.573 6.522 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547097 569463785 /nfs/dbraw/zinc/46/37/85/569463785.db2.gz QIDJKVVILYLLNJ-QHCPKHFHSA-N 0 0 447.560 6.069 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547099 569463795 /nfs/dbraw/zinc/46/37/95/569463795.db2.gz UHKLCUIMYDBTIN-JOCHJYFZSA-N 0 0 433.533 5.761 50 0 IKAARN COc1ccccc1[C@@H](Nc1cc(C)ccn1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000038547554 569463841 /nfs/dbraw/zinc/46/38/41/569463841.db2.gz XENHQRXNQVSBMP-HSZRJFAPSA-N 0 0 447.560 6.124 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547800 569463849 /nfs/dbraw/zinc/46/38/49/569463849.db2.gz ZQCREIPYDLUSRA-QFIPXVFZSA-N 0 0 435.524 6.200 50 0 IKAARN COc1cccc([C@@H](Nc2cc(C)ccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547550 569463851 /nfs/dbraw/zinc/46/38/51/569463851.db2.gz ZVTLLRSHJBAXSM-HSZRJFAPSA-N 0 0 447.560 6.124 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547798 569463855 /nfs/dbraw/zinc/46/38/55/569463855.db2.gz ZQCREIPYDLUSRA-JOCHJYFZSA-N 0 0 435.524 6.200 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)n2)c2cccc(F)c2)c1C ZINC000038547588 569463865 /nfs/dbraw/zinc/46/38/65/569463865.db2.gz SWVGMFLOMPUYBN-QFIPXVFZSA-N 0 0 435.524 6.254 50 0 IKAARN COc1cccc([C@@H](Nc2cccc(C)n2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547552 569463881 /nfs/dbraw/zinc/46/38/81/569463881.db2.gz PJBJTJHRIGWDNH-HSZRJFAPSA-N 0 0 447.560 6.124 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)n2)c2ccc(F)cc2)c1C ZINC000038547582 569463889 /nfs/dbraw/zinc/46/38/89/569463889.db2.gz WFJKMUXSNXZAKH-JOCHJYFZSA-N 0 0 435.524 6.254 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038547752 569463891 /nfs/dbraw/zinc/46/38/91/569463891.db2.gz VXLFOHGYBHSMJN-OAQYLSRUSA-N 0 0 437.952 6.406 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccccc2Cl)c1C ZINC000038547566 569463901 /nfs/dbraw/zinc/46/39/01/569463901.db2.gz IIMJNUUNMWJMLA-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN CCc1cc([C@@H](Nc2ccccn2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547743 569463919 /nfs/dbraw/zinc/46/39/19/569463919.db2.gz FQSQIVUVZFXUHF-QFIPXVFZSA-N 0 0 433.533 5.761 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)n2)c2ccc(F)cc2)c1C ZINC000038547580 569463927 /nfs/dbraw/zinc/46/39/27/569463927.db2.gz WFJKMUXSNXZAKH-QFIPXVFZSA-N 0 0 435.524 6.254 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2nc(C)cc(C)n2)c2cccs2)c1C ZINC000038548112 569463934 /nfs/dbraw/zinc/46/39/34/569463934.db2.gz BAXPNZWMWMKYIG-NRFANRHFSA-N 0 0 448.617 6.287 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038548051 569463984 /nfs/dbraw/zinc/46/39/84/569463984.db2.gz DFRLXSDOBPHEKE-FQEVSTJZSA-N 0 0 434.590 5.979 50 0 IKAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000038551389 569464005 /nfs/dbraw/zinc/46/40/05/569464005.db2.gz CPIZQXKGNHJSBW-UHFFFAOYSA-N 0 0 449.601 6.332 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccsc1)CCCC2)c1ccco1 ZINC000038550676 569464007 /nfs/dbraw/zinc/46/40/07/569464007.db2.gz IFSDXZFUMQSAMP-NRFANRHFSA-N 0 0 435.574 6.130 50 0 IKAARN CCc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)cc1 ZINC000008406457 569464027 /nfs/dbraw/zinc/46/40/27/569464027.db2.gz DHAKVWUPYAOROG-UHFFFAOYSA-N 0 0 426.463 6.358 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2n2ccnc2)cc1 ZINC000008411898 569464063 /nfs/dbraw/zinc/46/40/63/569464063.db2.gz ZIOIBHAAUMBAQT-ZEQRLZLVSA-N 0 0 433.342 6.397 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)c4ccsc4)n3)c2)cs1 ZINC000038575669 569464066 /nfs/dbraw/zinc/46/40/66/569464066.db2.gz LOLVTTIHSCWMGO-UHFFFAOYSA-N 0 0 440.575 5.070 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2n2ccnc2)cc1 ZINC000008411889 569464080 /nfs/dbraw/zinc/46/40/80/569464080.db2.gz ZIOIBHAAUMBAQT-DNQXCXABSA-N 0 0 433.342 6.397 50 0 IKAARN Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1Cl ZINC000008427282 569464120 /nfs/dbraw/zinc/46/41/20/569464120.db2.gz PAGNGXBVGSLHCW-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000008424607 569464127 /nfs/dbraw/zinc/46/41/27/569464127.db2.gz WHAQREIOMFWERS-RLPJPJOASA-N 0 0 431.388 6.930 50 0 IKAARN Cc1cccc(N[C@@H](c2cccc(I)c2)n2nnc3ccccc32)c1 ZINC000008426988 569464129 /nfs/dbraw/zinc/46/41/29/569464129.db2.gz ZKVDXDVQPSNXCO-HXUWFJFHSA-N 0 0 440.288 5.003 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000038587022 569464203 /nfs/dbraw/zinc/46/42/03/569464203.db2.gz GVEKUZAVDFYXTJ-PZJWPPBQSA-N 0 0 425.532 5.565 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc(Br)ccc1Cl ZINC000008440487 569464368 /nfs/dbraw/zinc/46/43/68/569464368.db2.gz TWEBMIOQBFMFCE-UHFFFAOYSA-N 0 0 445.675 6.302 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000067197136 569464369 /nfs/dbraw/zinc/46/43/69/569464369.db2.gz FJLCOAMSRPOSOM-FYYLOGMGSA-N 0 0 435.321 5.700 50 0 IKAARN COc1cc2oc3ccccc3c2cc1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000008440152 569464370 /nfs/dbraw/zinc/46/43/70/569464370.db2.gz IQVYCFDTDLZHBO-UHFFFAOYSA-N 0 0 432.863 6.464 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2c(Cl)cccc2Cl)cc1 ZINC000067197125 569464379 /nfs/dbraw/zinc/46/43/79/569464379.db2.gz MXKCJPDXAAMLJF-NZQKXSOJSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc(C)c(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000067206701 569464643 /nfs/dbraw/zinc/46/46/43/569464643.db2.gz CVLYQSTVDRFSAK-UHFFFAOYSA-N 0 0 441.556 5.716 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c(C)c1 ZINC000067209149 569464786 /nfs/dbraw/zinc/46/47/86/569464786.db2.gz PACOHTHLEPWCRK-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CCCCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1 ZINC000008445758 569464790 /nfs/dbraw/zinc/46/47/90/569464790.db2.gz VYENZATXULXUDI-UHFFFAOYSA-N 0 0 443.566 6.736 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C ZINC000067209196 569464820 /nfs/dbraw/zinc/46/48/20/569464820.db2.gz TVSZRARQLACJAV-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c1 ZINC000067216946 569464916 /nfs/dbraw/zinc/46/49/16/569464916.db2.gz DHAGJVHBGCLNJZ-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)cc1 ZINC000067217107 569464926 /nfs/dbraw/zinc/46/49/26/569464926.db2.gz LBTJRWFLAVLXNN-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN Cc1ccc(C)c(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccsc3c2=O)c1 ZINC000067217033 569464929 /nfs/dbraw/zinc/46/49/29/569464929.db2.gz PIVQMXXZGWLUOH-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)ccc1C)c1ccccc1 ZINC000067216896 569464933 /nfs/dbraw/zinc/46/49/33/569464933.db2.gz MRPYULBWJLKLPV-UHFFFAOYSA-N 0 0 449.601 5.209 50 0 IKAARN Cc1ccc(C)c(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1 ZINC000067216962 569464936 /nfs/dbraw/zinc/46/49/36/569464936.db2.gz ZSLSMICBKQNJBL-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c(C)c1 ZINC000067216957 569464943 /nfs/dbraw/zinc/46/49/43/569464943.db2.gz VXUREYSNIXBPDS-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CCCC[C@@H](CC)C(=O)Oc1c(Br)cc(Br)c2cccnc21 ZINC000008452284 569465076 /nfs/dbraw/zinc/46/50/76/569465076.db2.gz PCCZPSHWSOCUSF-LLVKDONJSA-N 0 0 429.152 5.882 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000008453388 569465081 /nfs/dbraw/zinc/46/50/81/569465081.db2.gz CBIQLPGQCDMJPJ-UHFFFAOYSA-N 0 0 430.891 5.763 50 0 IKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc21 ZINC000038652170 569465724 /nfs/dbraw/zinc/46/57/24/569465724.db2.gz OZYKESXVJZLZEQ-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000038652959 569465745 /nfs/dbraw/zinc/46/57/45/569465745.db2.gz ANJCFYGQDLPYPV-UHFFFAOYSA-N 0 0 434.970 5.096 50 0 IKAARN COc1ccc(CNC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c(OC)c1 ZINC000038653841 569465776 /nfs/dbraw/zinc/46/57/76/569465776.db2.gz OIIPWBCWDDMFJU-UHFFFAOYSA-N 0 0 436.508 5.292 50 0 IKAARN COc1ccc(-c2csc(C(=O)Nc3cc(OC)ccc3OC)c2-n2cccc2)cc1 ZINC000038654675 569465797 /nfs/dbraw/zinc/46/57/97/569465797.db2.gz YSHQAVWDTJBKHT-UHFFFAOYSA-N 0 0 434.517 5.484 50 0 IKAARN CCOc1ccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1OC ZINC000067245180 569465843 /nfs/dbraw/zinc/46/58/43/569465843.db2.gz KVTMWEAMHMHXKM-UHFFFAOYSA-N 0 0 439.471 5.115 50 0 IKAARN CCOc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245277 569465861 /nfs/dbraw/zinc/46/58/61/569465861.db2.gz NBRGYAGQGAOLTP-UHFFFAOYSA-N 0 0 437.499 5.723 50 0 IKAARN CCOc1ccccc1-c1noc(-c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)n1 ZINC000067245424 569465880 /nfs/dbraw/zinc/46/58/80/569465880.db2.gz JCQMUYFMFGWTRY-UHFFFAOYSA-N 0 0 427.435 5.246 50 0 IKAARN CCOc1ccccc1-c1noc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n1 ZINC000067245397 569465885 /nfs/dbraw/zinc/46/58/85/569465885.db2.gz LSLABFLYLASPSC-UHFFFAOYSA-N 0 0 443.890 5.760 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(Br)cc2)nc(-c2cccc(F)c2)n1 ZINC000067257368 569466088 /nfs/dbraw/zinc/46/60/88/569466088.db2.gz KYAJNXGUDLTRPF-UHFFFAOYSA-N 0 0 432.318 5.084 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(Br)cc2)nc(-c2ccc(F)cc2)n1 ZINC000067257180 569466097 /nfs/dbraw/zinc/46/60/97/569466097.db2.gz ALSOAHFARLLKPX-UHFFFAOYSA-N 0 0 432.318 5.084 50 0 IKAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1F ZINC000067258534 569466131 /nfs/dbraw/zinc/46/61/31/569466131.db2.gz CGWHOQCQVZHQLF-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1Cc1ccccc1Cl ZINC000067258517 569466152 /nfs/dbraw/zinc/46/61/52/569466152.db2.gz IEDYUTWGPFDVMX-UHFFFAOYSA-N 0 0 436.920 5.119 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccccc1Cl ZINC000067258538 569466162 /nfs/dbraw/zinc/46/61/62/569466162.db2.gz RLQHJIHICWYFCU-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN NC(=O)c1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c2c1CCCC2 ZINC000067257830 569466172 /nfs/dbraw/zinc/46/61/72/569466172.db2.gz PFGIMEJUVGQTEK-UHFFFAOYSA-N 0 0 436.964 5.355 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(C)ccc2C)c(OC)c1 ZINC000067258886 569466187 /nfs/dbraw/zinc/46/61/87/569466187.db2.gz TUVLKJFPFWYRGM-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000067258849 569466194 /nfs/dbraw/zinc/46/61/94/569466194.db2.gz LEQCFKTWKSHWHP-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1ccc(F)cc1 ZINC000067259287 569466197 /nfs/dbraw/zinc/46/61/97/569466197.db2.gz URSGWCMACFKVAX-UHFFFAOYSA-N 0 0 444.453 5.895 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)cc2)c(OC)c1 ZINC000067258914 569466225 /nfs/dbraw/zinc/46/62/25/569466225.db2.gz VQVPNLXCUUNQNF-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1ccc(Cl)cc1 ZINC000067259588 569466228 /nfs/dbraw/zinc/46/62/28/569466228.db2.gz DXRRLEDFHRSUKQ-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 ZINC000067259892 569466234 /nfs/dbraw/zinc/46/62/34/569466234.db2.gz VZBNCSOCRCWTDI-UHFFFAOYSA-N 0 0 438.593 6.235 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2cccc(F)c2)c1 ZINC000067259841 569466244 /nfs/dbraw/zinc/46/62/44/569466244.db2.gz DRFRGZAVHZSKJQ-UHFFFAOYSA-N 0 0 446.503 5.631 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1ccccn1 ZINC000067259374 569466247 /nfs/dbraw/zinc/46/62/47/569466247.db2.gz XTQKAXLHKGKFAK-UHFFFAOYSA-N 0 0 427.451 5.151 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 ZINC000067259587 569466257 /nfs/dbraw/zinc/46/62/57/569466257.db2.gz YKEFFUCALCBEMV-UHFFFAOYSA-N 0 0 427.356 6.044 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2ccccc2C)c1 ZINC000067259823 569466259 /nfs/dbraw/zinc/46/62/59/569466259.db2.gz YOAWZKFKZDICCC-UHFFFAOYSA-N 0 0 442.540 5.800 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(OC)c(F)c2)cc1 ZINC000067259640 569466274 /nfs/dbraw/zinc/46/62/74/569466274.db2.gz JTOMEOBJVCGDGP-UHFFFAOYSA-N 0 0 436.508 5.224 50 0 IKAARN COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1F ZINC000067259916 569466291 /nfs/dbraw/zinc/46/62/91/569466291.db2.gz CPFGMEPHHVEOKC-UHFFFAOYSA-N 0 0 430.501 5.085 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3cccc(Cl)c3)c(=O)c12 ZINC000067260298 569466329 /nfs/dbraw/zinc/46/63/29/569466329.db2.gz MVENCDCONUDGSE-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000067260300 569466336 /nfs/dbraw/zinc/46/63/36/569466336.db2.gz YQEQLXHWEVQXRU-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(Cc3ccccc3)c(=O)c12 ZINC000067260320 569466371 /nfs/dbraw/zinc/46/63/71/569466371.db2.gz HEHRMLHKYCUZST-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN Cc1ccc(-c2cc3c4nnc(SCc5c(F)cccc5Cl)n4ccn3n2)cc1C ZINC000067260648 569466383 /nfs/dbraw/zinc/46/63/83/569466383.db2.gz POKSCHGIQFFXIM-UHFFFAOYSA-N 0 0 437.931 5.746 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5ccccc5F)n4ccn3n2)cc1 ZINC000067260689 569466410 /nfs/dbraw/zinc/46/64/10/569466410.db2.gz LRZVHNHUYNKANW-UHFFFAOYSA-N 0 0 447.539 5.654 50 0 IKAARN COc1ccc([C@H](C)Nc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1OC ZINC000067262214 569466647 /nfs/dbraw/zinc/46/66/47/569466647.db2.gz KPRLHCXXWUSWNV-INIZCTEOSA-N 0 0 425.492 5.135 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1N1CCC(Cc2ccccc2)CC1)N1CCCCC1 ZINC000067288123 569467360 /nfs/dbraw/zinc/46/73/60/569467360.db2.gz QWRHFVUTNKMEHV-UHFFFAOYSA-N 0 0 431.555 5.459 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c(Cl)c1 ZINC000067289822 569467517 /nfs/dbraw/zinc/46/75/17/569467517.db2.gz BHNRZHMOLCXRFS-UHFFFAOYSA-N 0 0 436.968 5.706 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)NCc4ccccc4Cl)nccn3n2)cc1C ZINC000067289663 569467539 /nfs/dbraw/zinc/46/75/39/569467539.db2.gz NQZCRDPXHZRNOE-UHFFFAOYSA-N 0 0 436.968 5.075 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)N[C@@H](C)CCc4ccccc4)nccn3n2)cc1C ZINC000067289891 569467547 /nfs/dbraw/zinc/46/75/47/569467547.db2.gz VWTJRWWNFXRARI-FQEVSTJZSA-N 0 0 444.604 5.243 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4Cl)nccn3n2)cc1C ZINC000067289988 569467551 /nfs/dbraw/zinc/46/75/51/569467551.db2.gz PFVSCHVJYUYFBV-UHFFFAOYSA-N 0 0 436.968 5.706 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4C)nccn3n2)cc1 ZINC000067290496 569467576 /nfs/dbraw/zinc/46/75/76/569467576.db2.gz SRHQRQRGTMFHJR-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4Cl)nccn3n2)cc1C ZINC000067290009 569467577 /nfs/dbraw/zinc/46/75/77/569467577.db2.gz JNWNLYFGHBRVCV-UHFFFAOYSA-N 0 0 440.931 5.536 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1Cl ZINC000067292964 569467706 /nfs/dbraw/zinc/46/77/06/569467706.db2.gz SQZXUIJIHJEYHV-IAIVQWBNSA-N 0 0 435.282 5.020 50 0 IKAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067293333 569467782 /nfs/dbraw/zinc/46/77/82/569467782.db2.gz XGSLJXSCGQYHOJ-MEFGMAGPSA-N 0 0 425.366 5.037 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(Cl)ccc1F ZINC000067293115 569467792 /nfs/dbraw/zinc/46/77/92/569467792.db2.gz XVNAGMIKWUGUBU-IAIVQWBNSA-N 0 0 435.282 5.020 50 0 IKAARN Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)ccc1Cl ZINC000067293099 569467809 /nfs/dbraw/zinc/46/78/09/569467809.db2.gz SZUGPFVRPGHIND-IFMSOTMUSA-N 0 0 431.319 5.189 50 0 IKAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067293338 569467814 /nfs/dbraw/zinc/46/78/14/569467814.db2.gz YNHJXBJALSTGII-MEFGMAGPSA-N 0 0 425.366 5.037 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c(Cl)c1 ZINC000067293065 569467818 /nfs/dbraw/zinc/46/78/18/569467818.db2.gz CSQUTTMSIDKPBK-ZLXSMEDCSA-N 0 0 431.319 5.189 50 0 IKAARN Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)ccc1Cl ZINC000067293102 569467820 /nfs/dbraw/zinc/46/78/20/569467820.db2.gz SZUGPFVRPGHIND-LYYOGKFUSA-N 0 0 431.319 5.189 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C(F)(F)F)c2)nc1 ZINC000067294373 569467865 /nfs/dbraw/zinc/46/78/65/569467865.db2.gz ZJWPCUZLDVGADO-SLMZUGIISA-N 0 0 439.393 5.345 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1Cl ZINC000067294540 569467891 /nfs/dbraw/zinc/46/78/91/569467891.db2.gz RCSCKZSWTSKCKI-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN CCc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067294994 569467898 /nfs/dbraw/zinc/46/78/98/569467898.db2.gz TYFWTAHPLJEKKH-RWEWTDSWSA-N 0 0 448.320 5.637 50 0 IKAARN COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 ZINC000067294903 569467912 /nfs/dbraw/zinc/46/79/12/569467912.db2.gz VKDFRXMFOGXANY-GFMRDNFCSA-N 0 0 441.896 5.045 50 0 IKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c(OC)c1 ZINC000067294870 569467924 /nfs/dbraw/zinc/46/79/24/569467924.db2.gz QORVUTHIHFULPW-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1ccccn1 ZINC000067294969 569467925 /nfs/dbraw/zinc/46/79/25/569467925.db2.gz DJACAZFJHBVTEA-LVWGJNHUSA-N 0 0 434.293 5.383 50 0 IKAARN COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294490 569467933 /nfs/dbraw/zinc/46/79/33/569467933.db2.gz JRZXUVSRNZPCMS-VYIQYICTSA-N 0 0 432.863 5.358 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)cc3Cl)oc21 ZINC000067295794 569467951 /nfs/dbraw/zinc/46/79/51/569467951.db2.gz ODJYQCNSJJHWGF-PNHLSOANSA-N 0 0 433.895 5.591 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(Cl)ccc3C)oc21 ZINC000067295787 569467961 /nfs/dbraw/zinc/46/79/61/569467961.db2.gz JRZIMPKIXNWDEH-PNHLSOANSA-N 0 0 433.895 5.591 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)c(Cl)c3)oc21 ZINC000067295799 569467964 /nfs/dbraw/zinc/46/79/64/569467964.db2.gz HCBWXUPCCIBECY-PNHLSOANSA-N 0 0 433.895 5.591 50 0 IKAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)cc1Cl ZINC000067295803 569467974 /nfs/dbraw/zinc/46/79/74/569467974.db2.gz OVKWDPRAYAKGGW-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc(OC)c1 ZINC000067297140 569467994 /nfs/dbraw/zinc/46/79/94/569467994.db2.gz KUVRTHDWKZFLTO-RQZHXJHFSA-N 0 0 428.488 5.552 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000067297183 569468004 /nfs/dbraw/zinc/46/80/04/569468004.db2.gz TYCHCXVQSSOQQK-SGEDCAFJSA-N 0 0 440.499 5.711 50 0 IKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000067297130 569468012 /nfs/dbraw/zinc/46/80/12/569468012.db2.gz KDWHRBKGQHCUFB-SGEDCAFJSA-N 0 0 428.488 5.552 50 0 IKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(OC(F)(F)F)c2)n1 ZINC000067296807 569468014 /nfs/dbraw/zinc/46/80/14/569468014.db2.gz CHJKSJWJSREWCI-SLMZUGIISA-N 0 0 439.393 5.520 50 0 IKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067296346 569468022 /nfs/dbraw/zinc/46/80/22/569468022.db2.gz MGFUPCUIBBWOPT-MEFGMAGPSA-N 0 0 425.366 5.211 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000067297634 569468044 /nfs/dbraw/zinc/46/80/44/569468044.db2.gz XLHDAZICVCVCBZ-FVDSYPCUSA-N 0 0 442.471 5.103 50 0 IKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)cc1 ZINC000067297688 569468092 /nfs/dbraw/zinc/46/80/92/569468092.db2.gz ABBGRIIUVXJXNY-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067298163 569468114 /nfs/dbraw/zinc/46/81/14/569468114.db2.gz GHGMPMYEIGXGDC-BWAHOGKJSA-N 0 0 431.395 5.098 50 0 IKAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067298170 569468121 /nfs/dbraw/zinc/46/81/21/569468121.db2.gz KCFYUEFWOYDJHO-BWAHOGKJSA-N 0 0 431.395 5.098 50 0 IKAARN Cc1occc1-c1nnc2sc(-c3cc(-c4ccc(Cl)cc4Cl)oc3C)nn21 ZINC000067299887 569468133 /nfs/dbraw/zinc/46/81/33/569468133.db2.gz NQLHXXHLYBQSSE-UHFFFAOYSA-N 0 0 431.304 6.296 50 0 IKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)oc21 ZINC000067339918 569468977 /nfs/dbraw/zinc/46/89/77/569468977.db2.gz YAHDLEJNSQERSC-VOTSOKGWSA-N 0 0 442.899 5.933 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1cc2ccccc2o1 ZINC000067339296 569468992 /nfs/dbraw/zinc/46/89/92/569468992.db2.gz ZNXMCDBOSWYYFA-VAWYXSNFSA-N 0 0 435.476 6.129 50 0 IKAARN CC(C)c1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)cc1 ZINC000067339215 569468999 /nfs/dbraw/zinc/46/89/99/569468999.db2.gz SBKZAXLHCACTNK-CSKARUKUSA-N 0 0 436.964 6.909 50 0 IKAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 ZINC000067339910 569469003 /nfs/dbraw/zinc/46/90/03/569469003.db2.gz JZACGRHZASFOQH-CSKARUKUSA-N 0 0 428.282 5.414 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCCC2)Nc2ccccc21 ZINC000067341365 569469023 /nfs/dbraw/zinc/46/90/23/569469023.db2.gz QNMKGJFKKSBEIE-UHFFFAOYSA-N 0 0 444.000 5.943 50 0 IKAARN COCCn1c(-c2nc(C(=O)Nc3cccc4cccnc43)cs2)cc2ccccc21 ZINC000038911545 569469400 /nfs/dbraw/zinc/46/94/00/569469400.db2.gz XQNBAXPQKBVBNT-UHFFFAOYSA-N 0 0 428.517 5.212 50 0 IKAARN COc1ccccc1-c1nc(COC(=O)c2c(Cl)ccc(Cl)c2Cl)cs1 ZINC000008628998 569469497 /nfs/dbraw/zinc/46/94/97/569469497.db2.gz NLBMOBJUQVJROJ-UHFFFAOYSA-N 0 0 428.724 6.136 50 0 IKAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3c(Cl)ccc(Cl)c3Cl)c2C)no1 ZINC000008628981 569469499 /nfs/dbraw/zinc/46/94/99/569469499.db2.gz HSPRFBJDRJUEIQ-UHFFFAOYSA-N 0 0 441.698 5.390 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 ZINC000008656872 569469697 /nfs/dbraw/zinc/46/96/97/569469697.db2.gz SJWRWGBEMKQUEW-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc(CCn2c(-c3ccccc3)cs/c2=N\c2ccccc2C)cc1OC ZINC000008694497 569470060 /nfs/dbraw/zinc/47/00/60/569470060.db2.gz VIIBIXGOUFAKFB-RQZHXJHFSA-N 0 0 430.573 6.017 50 0 IKAARN Cc1cc([C@H]2CC=C(C)[C@H](c3ccccc3)N2C(=O)c2ccccc2)cnc1-c1ccccc1 ZINC000008695498 569470183 /nfs/dbraw/zinc/47/01/83/569470183.db2.gz YMTDDDYWBVGJMJ-PQHLKRTFSA-N 0 0 444.578 7.332 50 0 IKAARN Cc1nnc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1C1CCCCC1 ZINC000008705174 569470326 /nfs/dbraw/zinc/47/03/26/569470326.db2.gz CAHQCSKDGDXJDE-UHFFFAOYSA-N 0 0 432.899 5.495 50 0 IKAARN C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)NCC1CCCCC1 ZINC000008705437 569470385 /nfs/dbraw/zinc/47/03/85/569470385.db2.gz XYGPJSNWGMTVBN-LBPRGKRZSA-N 0 0 436.002 5.782 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 ZINC000008707851 569470635 /nfs/dbraw/zinc/47/06/35/569470635.db2.gz XIDNIFPPWUHQEW-INIZCTEOSA-N 0 0 440.569 5.094 50 0 IKAARN Cn1c(COc2ccccc2Cl)nnc1SCc1nc(-c2ccccc2Cl)no1 ZINC000008708609 569470693 /nfs/dbraw/zinc/47/06/93/569470693.db2.gz PANQGWVINFVCOT-UHFFFAOYSA-N 0 0 448.335 5.043 50 0 IKAARN C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000008708525 569470699 /nfs/dbraw/zinc/47/06/99/569470699.db2.gz KKGGOYXNUXPYGN-OAHLLOKOSA-N 0 0 438.582 5.222 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000008709005 569470749 /nfs/dbraw/zinc/47/07/49/569470749.db2.gz HGIZDRIWPBALGP-CYBMUJFWSA-N 0 0 447.655 5.204 50 0 IKAARN Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008710293 569470905 /nfs/dbraw/zinc/47/09/05/569470905.db2.gz MGFLUCBGEIUALH-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN O=C1c2ccccc2N[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1C1CCCC1 ZINC000008710810 569470935 /nfs/dbraw/zinc/47/09/35/569470935.db2.gz QYNCIYRCRIGGFX-SANMLTNESA-N 0 0 435.531 5.443 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000008711480 569471016 /nfs/dbraw/zinc/47/10/16/569471016.db2.gz XWCJYGHEAKKFSV-LJQANCHMSA-N 0 0 437.874 5.637 50 0 IKAARN CCc1ccc2c(c1)[C@]1(Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000008717674 569471115 /nfs/dbraw/zinc/47/11/15/569471115.db2.gz CYJJHXZMCITFHC-DHLKQENFSA-N 0 0 429.907 5.251 50 0 IKAARN O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1)c1ccccc1 ZINC000008717626 569471132 /nfs/dbraw/zinc/47/11/32/569471132.db2.gz QSLDPHPBAYCTKB-OZXSUGGESA-N 0 0 436.467 5.741 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)c(Cl)c1 ZINC000008719140 569471405 /nfs/dbraw/zinc/47/14/05/569471405.db2.gz LVBKZAFSMFUNOX-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1nnc(-c2ccccc2)o1 ZINC000008720224 569471574 /nfs/dbraw/zinc/47/15/74/569471574.db2.gz ZOXHZDPTICVSSH-GFCCVEGCSA-N 0 0 427.327 5.743 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCc1cccnc1 ZINC000008720821 569471623 /nfs/dbraw/zinc/47/16/23/569471623.db2.gz VKXWXNOCVLNYFG-UHFFFAOYSA-N 0 0 430.939 5.179 50 0 IKAARN O=C1N(Cc2ccccc2)c2ccccc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000008722082 569471730 /nfs/dbraw/zinc/47/17/30/569471730.db2.gz DQEZCGWQXTUPQG-CUBQBAPOSA-N 0 0 447.494 5.223 50 0 IKAARN Cc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1 ZINC000008721522 569471731 /nfs/dbraw/zinc/47/17/31/569471731.db2.gz FKYXIIBKJHQRMT-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000008722395 569471797 /nfs/dbraw/zinc/47/17/97/569471797.db2.gz PPDQMUBHZQIOGB-QHCPKHFHSA-N 0 0 431.605 5.458 50 0 IKAARN Cc1ccc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)c1 ZINC000008722598 569471801 /nfs/dbraw/zinc/47/18/01/569471801.db2.gz AOXKHPGDZQLGOY-GDLZYMKVSA-N 0 0 435.523 5.464 50 0 IKAARN O=C1N[C@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000008722576 569471807 /nfs/dbraw/zinc/47/18/07/569471807.db2.gz NUTNAYUGESEVSS-DEOSSOPVSA-N 0 0 425.557 5.314 50 0 IKAARN COc1ccc(/C=C(\NC(=O)c2ccc(OCC(C)C)cc2)C(=O)Nc2ccccc2)cc1 ZINC000008722297 569471839 /nfs/dbraw/zinc/47/18/39/569471839.db2.gz FCXAZTFVABBZKT-UQQQWYQISA-N 0 0 444.531 5.140 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 ZINC000008723757 569471866 /nfs/dbraw/zinc/47/18/66/569471866.db2.gz QCOYEFHRTQIEQT-HXUWFJFHSA-N 0 0 435.505 5.509 50 0 IKAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(SC)c2)c1 ZINC000008727864 569472344 /nfs/dbraw/zinc/47/23/44/569472344.db2.gz QESWLSFHDZMFFM-UHFFFAOYSA-N 0 0 445.544 5.531 50 0 IKAARN CC(=O)Nc1ccc(SCC(=O)N2N=C(c3ccc(C)o3)C[C@H]2c2cccs2)cc1 ZINC000008727861 569472375 /nfs/dbraw/zinc/47/23/75/569472375.db2.gz STWBSMRZWQQMMH-IBGZPJMESA-N 0 0 439.562 5.078 50 0 IKAARN Cc1ccc(-c2csc3[nH]c(CSc4nnc(C5CC5)n4C4CC4)nc(=O)c23)s1 ZINC000008728610 569472419 /nfs/dbraw/zinc/47/24/19/569472419.db2.gz ZZHFQZAVPITXAA-UHFFFAOYSA-N 0 0 441.607 5.118 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@H](C)c2nnc(-c3ccccc3)o2)s1 ZINC000008728407 569472434 /nfs/dbraw/zinc/47/24/34/569472434.db2.gz PWAGPRIPRLOPMF-CYBMUJFWSA-N 0 0 425.539 5.584 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3SC[C@H]3CCCO3)sc2C)cc1 ZINC000008728244 569472441 /nfs/dbraw/zinc/47/24/41/569472441.db2.gz JUCQLZNBBHQROL-GOSISDBHSA-N 0 0 440.590 5.651 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(C(F)(F)F)c2)cc1 ZINC000008733501 569472492 /nfs/dbraw/zinc/47/24/92/569472492.db2.gz VHNMMYPSNZWWRX-UHFFFAOYSA-N 0 0 432.829 6.013 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008734359 569472506 /nfs/dbraw/zinc/47/25/06/569472506.db2.gz YXGKIDROXZQNQX-NDEPHWFRSA-N 0 0 436.555 6.063 50 0 IKAARN Clc1ccc(Oc2cc(CSc3ccc(Cl)cc3)nc(-c3cccnc3)n2)cc1 ZINC000008733585 569472522 /nfs/dbraw/zinc/47/25/22/569472522.db2.gz NXWSZCHYFWGMAF-UHFFFAOYSA-N 0 0 440.355 6.930 50 0 IKAARN CN(Cc1ccc2ccccc2c1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000008734340 569472533 /nfs/dbraw/zinc/47/25/33/569472533.db2.gz RYIVGNNDQARQIM-UHFFFAOYSA-N 0 0 442.588 5.108 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Cl)cc2Cl)cc1 ZINC000008733617 569472551 /nfs/dbraw/zinc/47/25/51/569472551.db2.gz WUWJJWLQAVBDNR-UHFFFAOYSA-N 0 0 433.722 6.301 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)CCCSc2nc3ccccc3s2)c(OC)c1 ZINC000008736202 569472695 /nfs/dbraw/zinc/47/26/95/569472695.db2.gz STXWXZRWQOQYLJ-IBGZPJMESA-N 0 0 442.606 5.550 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)CCCSc2nc3ccccc3s2)c(OC)c1 ZINC000008736204 569472710 /nfs/dbraw/zinc/47/27/10/569472710.db2.gz STXWXZRWQOQYLJ-LJQANCHMSA-N 0 0 442.606 5.550 50 0 IKAARN CCCCn1nc(C)c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1Cl ZINC000008747855 569473140 /nfs/dbraw/zinc/47/31/40/569473140.db2.gz HKUDIDQUQQTWGF-UHFFFAOYSA-N 0 0 438.675 5.679 50 0 IKAARN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CNc1ccc(F)cc1 ZINC000008749245 569473308 /nfs/dbraw/zinc/47/33/08/569473308.db2.gz WYVDHRBZNLQBEH-HYARGMPZSA-N 0 0 434.492 5.511 50 0 IKAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000008749335 569473309 /nfs/dbraw/zinc/47/33/09/569473309.db2.gz GSUHLVCXCHVJJA-RTBURBONSA-N 0 0 446.547 5.269 50 0 IKAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000008749333 569473310 /nfs/dbraw/zinc/47/33/10/569473310.db2.gz GSUHLVCXCHVJJA-OALUTQOASA-N 0 0 446.547 5.269 50 0 IKAARN COc1ccc(NC(=O)[C@H](Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1Cl ZINC000008749345 569473314 /nfs/dbraw/zinc/47/33/14/569473314.db2.gz QBPBTCBERCAIJD-JOCHJYFZSA-N 0 0 440.952 5.779 50 0 IKAARN CN(C)C1(c2nnnn2[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 ZINC000008751093 569473412 /nfs/dbraw/zinc/47/34/12/569473412.db2.gz UZKVHHXLZVWXFE-FQEVSTJZSA-N 0 0 430.383 5.339 50 0 IKAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)c1nnc(-c2cccs2)o1 ZINC000008751075 569473433 /nfs/dbraw/zinc/47/34/33/569473433.db2.gz KFPVJMDDAJASMV-LLVKDONJSA-N 0 0 432.958 5.425 50 0 IKAARN O=C(c1ccccc1)[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000008750911 569473442 /nfs/dbraw/zinc/47/34/42/569473442.db2.gz DNLGEAHCXNYORJ-HSZRJFAPSA-N 0 0 431.586 5.982 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CSc3ccc(NC(C)=O)cc3)ccc2OC)cc1 ZINC000008751506 569473470 /nfs/dbraw/zinc/47/34/70/569473470.db2.gz VXVGPRHKJKLHQO-UHFFFAOYSA-N 0 0 436.533 5.060 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008752277 569473523 /nfs/dbraw/zinc/47/35/23/569473523.db2.gz VJSKKVOOWXXXJA-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O ZINC000008752194 569473524 /nfs/dbraw/zinc/47/35/24/569473524.db2.gz YMJRHCCWXVGTOA-MRXNPFEDSA-N 0 0 449.913 5.406 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3C)CC2=O)cc1 ZINC000008752260 569473533 /nfs/dbraw/zinc/47/35/33/569473533.db2.gz SJBQKMVHDZQCFQ-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000008752469 569473585 /nfs/dbraw/zinc/47/35/85/569473585.db2.gz ZIFFVNGNSOSDAE-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1C ZINC000008753088 569473623 /nfs/dbraw/zinc/47/36/23/569473623.db2.gz GQJSGTDMVVWSIY-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN C[C@H](c1ccccc1)n1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008752877 569473628 /nfs/dbraw/zinc/47/36/28/569473628.db2.gz CGIPRDFXZVBGCA-IEBWSBKVSA-N 0 0 449.476 6.185 50 0 IKAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008752873 569473634 /nfs/dbraw/zinc/47/36/34/569473634.db2.gz CGIPRDFXZVBGCA-PKOBYXMFSA-N 0 0 449.476 6.185 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1C ZINC000008752839 569473638 /nfs/dbraw/zinc/47/36/38/569473638.db2.gz KIFHXFKJPDMRJC-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Br ZINC000008753152 569473666 /nfs/dbraw/zinc/47/36/66/569473666.db2.gz NUYOWXYODLMKGA-GOSISDBHSA-N 0 0 446.348 5.368 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)c(C)c1 ZINC000008753218 569473675 /nfs/dbraw/zinc/47/36/75/569473675.db2.gz DPUIWFYALSEHFM-HXUWFJFHSA-N 0 0 443.522 5.392 50 0 IKAARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008753250 569473677 /nfs/dbraw/zinc/47/36/77/569473677.db2.gz IZINBGRQXPCJHB-HXUWFJFHSA-N 0 0 441.550 6.042 50 0 IKAARN COc1ccc(Cc2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)cc1 ZINC000008753464 569473722 /nfs/dbraw/zinc/47/37/22/569473722.db2.gz ROJRUPZTJIUBEG-UHFFFAOYSA-N 0 0 448.544 5.027 50 0 IKAARN CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O ZINC000008754658 569473834 /nfs/dbraw/zinc/47/38/34/569473834.db2.gz HCUNIPXDAAYSAZ-GOSISDBHSA-N 0 0 439.987 5.663 50 0 IKAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O ZINC000008754665 569473858 /nfs/dbraw/zinc/47/38/58/569473858.db2.gz HCUNIPXDAAYSAZ-SFHVURJKSA-N 0 0 439.987 5.663 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000008754799 569473865 /nfs/dbraw/zinc/47/38/65/569473865.db2.gz XIOBWEQIDRKZLP-HXUWFJFHSA-N 0 0 429.951 5.875 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1Cl ZINC000008754835 569473881 /nfs/dbraw/zinc/47/38/81/569473881.db2.gz NAOMEWOPXCUVGI-SFHVURJKSA-N 0 0 431.923 5.289 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000008755328 569473947 /nfs/dbraw/zinc/47/39/47/569473947.db2.gz LWACZBVHEMEYTF-QFIPXVFZSA-N 0 0 439.559 5.588 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000008755222 569473953 /nfs/dbraw/zinc/47/39/53/569473953.db2.gz VPIWDULREWGDLG-HXUWFJFHSA-N 0 0 429.951 5.821 50 0 IKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O ZINC000008755461 569473957 /nfs/dbraw/zinc/47/39/57/569473957.db2.gz KOWSDHUZBDXRQG-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000008755223 569473970 /nfs/dbraw/zinc/47/39/70/569473970.db2.gz VPIWDULREWGDLG-FQEVSTJZSA-N 0 0 429.951 5.821 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000008755767 569474005 /nfs/dbraw/zinc/47/40/05/569474005.db2.gz PDJBWOXOTCQDAY-FQEVSTJZSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000008755899 569474010 /nfs/dbraw/zinc/47/40/10/569474010.db2.gz PSYFXFXMXXMPNM-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000008755685 569474016 /nfs/dbraw/zinc/47/40/16/569474016.db2.gz QYCCYYNGYKYMCA-QGZVFWFLSA-N 0 0 449.913 5.406 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O ZINC000008755677 569474017 /nfs/dbraw/zinc/47/40/17/569474017.db2.gz ASCKVYXRIJASAZ-IBGZPJMESA-N 0 0 445.950 5.576 50 0 IKAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 ZINC000008755659 569474024 /nfs/dbraw/zinc/47/40/24/569474024.db2.gz ALJIALGARQGPJP-QUCCMNQESA-N 0 0 441.531 5.183 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008756213 569474059 /nfs/dbraw/zinc/47/40/59/569474059.db2.gz OVTDBRDJLZAYPV-FQEVSTJZSA-N 0 0 443.522 5.473 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008756178 569474061 /nfs/dbraw/zinc/47/40/61/569474061.db2.gz BTEZETIOJDHXQO-FQEVSTJZSA-N 0 0 443.522 5.392 50 0 IKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756130 569474069 /nfs/dbraw/zinc/47/40/69/569474069.db2.gz WTEYVTFBXMKQHH-OAQYLSRUSA-N 0 0 427.523 5.868 50 0 IKAARN c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000008756645 569474084 /nfs/dbraw/zinc/47/40/84/569474084.db2.gz RDHLDTFYNAMSDX-JOCHJYFZSA-N 0 0 427.467 5.625 50 0 IKAARN Cc1ccc(C(C)C)c(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 ZINC000008756357 569474085 /nfs/dbraw/zinc/47/40/85/569474085.db2.gz QGGLWIVMABUOAC-UHFFFAOYSA-N 0 0 447.623 5.786 50 0 IKAARN c1ccc(Cc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1 ZINC000008756740 569474103 /nfs/dbraw/zinc/47/41/03/569474103.db2.gz KDOVSRLONODAPQ-RUZDIDTESA-N 0 0 440.506 6.154 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000008756981 569474121 /nfs/dbraw/zinc/47/41/21/569474121.db2.gz XEVBTLLCABSAPX-UHFFFAOYSA-N 0 0 431.964 6.074 50 0 IKAARN COc1cccc(CNc2nc3c(-c4cccc(C)c4)nnn3c3ccc(Cl)cc32)c1 ZINC000008757094 569474124 /nfs/dbraw/zinc/47/41/24/569474124.db2.gz NDHIEYLKMLBGTA-UHFFFAOYSA-N 0 0 429.911 5.527 50 0 IKAARN Cc1ccccc1Cn1c2c3ccccc3sc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000008756856 569474125 /nfs/dbraw/zinc/47/41/25/569474125.db2.gz UOFVVVILWAKODU-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN CCc1cccc(C)c1Nc1sc(C(=O)c2ccc(C)cc2)c(N)c1S(=O)(=O)CC ZINC000008756711 569474137 /nfs/dbraw/zinc/47/41/37/569474137.db2.gz YXMBFYQHAQHYRG-UHFFFAOYSA-N 0 0 442.606 5.278 50 0 IKAARN c1ccc(Cc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)cc1 ZINC000008756735 569474144 /nfs/dbraw/zinc/47/41/44/569474144.db2.gz KDOVSRLONODAPQ-VWLOTQADSA-N 0 0 440.506 6.154 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1C ZINC000008758173 569474155 /nfs/dbraw/zinc/47/41/55/569474155.db2.gz GQJSGTDMVVWSIY-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008758343 569474201 /nfs/dbraw/zinc/47/42/01/569474201.db2.gz QCTJDMJBPGJCMG-HXUWFJFHSA-N 0 0 443.522 5.473 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccc(F)cc1 ZINC000008759689 569474242 /nfs/dbraw/zinc/47/42/42/569474242.db2.gz IVBKTUNGDDTUGI-HNNXBMFYSA-N 0 0 437.877 5.537 50 0 IKAARN O=C(Nc1nnsc1Sc1ccc(Cl)cc1)OCc1cccc(C(F)(F)F)c1 ZINC000008762033 569474276 /nfs/dbraw/zinc/47/42/76/569474276.db2.gz FLERAEQDCKGZIS-UHFFFAOYSA-N 0 0 445.875 6.110 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc(F)cc1 ZINC000008759610 569474255 /nfs/dbraw/zinc/47/42/55/569474255.db2.gz CWDFKMJUZMJNBO-QGZVFWFLSA-N 0 0 449.913 5.428 50 0 IKAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1C ZINC000008762519 569474341 /nfs/dbraw/zinc/47/43/41/569474341.db2.gz MKYQIWGSMXQQEW-GOSISDBHSA-N 0 0 429.545 6.140 50 0 IKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](C)c1ccccc1 ZINC000008762576 569474360 /nfs/dbraw/zinc/47/43/60/569474360.db2.gz IEIBAPNQGPRFSL-BRMLWKLGSA-N 0 0 441.656 6.297 50 0 biogenic IKAARN O=[S@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000008762854 569474361 /nfs/dbraw/zinc/47/43/61/569474361.db2.gz YFLWLELMDYZTCE-LJAQVGFWSA-N 0 0 436.989 6.256 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1nccs1)occ3-c1ccccc1 ZINC000008764551 569474586 /nfs/dbraw/zinc/47/45/86/569474586.db2.gz KRNYNZLTISPRKM-UHFFFAOYSA-N 0 0 430.485 5.542 50 0 biogenic IKAARN Cc1ccc2c(c1)oc(=O)cc2-c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000008764396 569474623 /nfs/dbraw/zinc/47/46/23/569474623.db2.gz JREPBIJLUXTRGX-UHFFFAOYSA-N 0 0 439.423 5.496 50 0 biogenic IKAARN CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@@H](C)CC4)cc1 ZINC000008765738 569474795 /nfs/dbraw/zinc/47/47/95/569474795.db2.gz ZYWORNFNBSXOGS-INIZCTEOSA-N 0 0 435.545 5.910 50 0 IKAARN c1csc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)c1 ZINC000008766733 569474846 /nfs/dbraw/zinc/47/48/46/569474846.db2.gz GKCBHARQLWOOME-NRFANRHFSA-N 0 0 432.508 6.292 50 0 IKAARN Oc1cccc(-c2csc(N3N=C(c4ccc(Cl)cc4)C[C@]3(O)C(F)(F)F)n2)c1 ZINC000008770023 569475137 /nfs/dbraw/zinc/47/51/37/569475137.db2.gz PNCZKIQMJGIGGG-SFHVURJKSA-N 0 0 439.846 5.034 50 0 IKAARN C[C@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008770246 569475144 /nfs/dbraw/zinc/47/51/44/569475144.db2.gz FKZHNUPDGQUVJU-QOHRDKRTSA-N 0 0 440.631 6.343 50 0 IKAARN Cc1ccc(-c2cc(NC(=O)C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 ZINC000008771136 569475186 /nfs/dbraw/zinc/47/51/86/569475186.db2.gz RDGNXOGICTXCLO-UHFFFAOYSA-N 0 0 446.429 5.611 50 0 IKAARN COc1ccccc1/N=c1/scc(-c2ccc(C)cc2)n1CCc1c[nH]c2ccccc12 ZINC000008771470 569475223 /nfs/dbraw/zinc/47/52/23/569475223.db2.gz LLYOMTQIZLWZBX-ORIPQNMZSA-N 0 0 439.584 6.490 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008771708 569475226 /nfs/dbraw/zinc/47/52/26/569475226.db2.gz KLJYDOWCWHBHHT-OAQYLSRUSA-N 0 0 439.968 5.397 50 0 IKAARN COc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1OC ZINC000008772052 569475243 /nfs/dbraw/zinc/47/52/43/569475243.db2.gz CLFYILNJUVLDCR-LJQANCHMSA-N 0 0 434.923 5.400 50 0 IKAARN CCCSc1nc2sc3c(c2c(SCC(=O)OCC)n1)C[C@@](C)(CC)OC3 ZINC000008772017 569475259 /nfs/dbraw/zinc/47/52/59/569475259.db2.gz FUWCENLFVZULKM-LJQANCHMSA-N 0 0 426.629 5.090 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2ccccc2c1 ZINC000008772249 569475271 /nfs/dbraw/zinc/47/52/71/569475271.db2.gz NJJDBCGAWXCDKW-OAHLLOKOSA-N 0 0 434.590 5.538 50 0 IKAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 ZINC000008772553 569475307 /nfs/dbraw/zinc/47/53/07/569475307.db2.gz PKLKSGICBOZHAF-QHCPKHFHSA-N 0 0 440.568 6.290 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@H]1c1ccco1 ZINC000008774938 569475368 /nfs/dbraw/zinc/47/53/68/569475368.db2.gz ULBXBEUOPNDXDN-NRFANRHFSA-N 0 0 425.488 5.184 50 0 IKAARN CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCCC[C@H]3c3cccnc3)cs2)n1 ZINC000008777826 569475464 /nfs/dbraw/zinc/47/54/64/569475464.db2.gz JTZHZRBRUBPURB-KRWDZBQOSA-N 0 0 449.502 5.233 50 0 IKAARN CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCCC[C@@H]3c3cccnc3)cs2)n1 ZINC000008777824 569475488 /nfs/dbraw/zinc/47/54/88/569475488.db2.gz JTZHZRBRUBPURB-QGZVFWFLSA-N 0 0 449.502 5.233 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000008778999 569475506 /nfs/dbraw/zinc/47/55/06/569475506.db2.gz JRJBBXRIKUPJJC-MFMCTBQISA-N 0 0 446.550 6.816 50 0 IKAARN O=C(C1CCCCC1)n1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000008782077 569475745 /nfs/dbraw/zinc/47/57/45/569475745.db2.gz TURNDUFZVMTZKE-UHFFFAOYSA-N 0 0 429.347 6.656 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21)c1ccc(Cl)cc1 ZINC000008783288 569475843 /nfs/dbraw/zinc/47/58/43/569475843.db2.gz MOYIKEZCKZCHQX-MHZLTWQESA-N 0 0 441.914 5.501 50 0 IKAARN CSc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000008783298 569475860 /nfs/dbraw/zinc/47/58/60/569475860.db2.gz CREGVZDDKSROLD-XMMPIXPASA-N 0 0 438.036 7.786 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 ZINC000008783581 569475886 /nfs/dbraw/zinc/47/58/86/569475886.db2.gz WMYKYLFYYZWOEK-MRXNPFEDSA-N 0 0 429.358 5.149 50 0 IKAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000008788968 569475900 /nfs/dbraw/zinc/47/59/00/569475900.db2.gz UMAHQZNUPCXKFC-RNIUOSIHSA-N 0 0 438.608 5.998 50 0 biogenic IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@H]21 ZINC000008789920 569475999 /nfs/dbraw/zinc/47/59/99/569475999.db2.gz AJRXQQMYPFLZEZ-BXKMTCNYSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc1c2C ZINC000008790365 569476068 /nfs/dbraw/zinc/47/60/68/569476068.db2.gz KPUSQYBWZXSVJI-UHFFFAOYSA-N 0 0 442.515 5.237 50 0 biogenic IKAARN CCc1ccc([C@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@@H]3c3[nH]c4ccccc4c32)cc1 ZINC000008790899 569476132 /nfs/dbraw/zinc/47/61/32/569476132.db2.gz KNHKMDWJHCJIQX-FQRUVTKNSA-N 0 0 438.527 5.438 50 0 biogenic IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@H]21 ZINC000008790965 569476151 /nfs/dbraw/zinc/47/61/51/569476151.db2.gz WKRYGEUBDXPPFD-UUOWRZLLSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c3cc2c1-c1ccccc1 ZINC000008791365 569476202 /nfs/dbraw/zinc/47/62/02/569476202.db2.gz SFMHDAIIDURTMN-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccn4)c(C)c3cc2c1-c1ccccc1 ZINC000008791430 569476223 /nfs/dbraw/zinc/47/62/23/569476223.db2.gz BDAYOQXUBHAAHQ-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1ccco1)occ3-c1ccccc1 ZINC000008791529 569476259 /nfs/dbraw/zinc/47/62/59/569476259.db2.gz WZCRKCBBQQCCSD-UHFFFAOYSA-N 0 0 427.456 5.357 50 0 biogenic IKAARN COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 ZINC000008791721 569476274 /nfs/dbraw/zinc/47/62/74/569476274.db2.gz WVIRHVWYQUMALT-UHFFFAOYSA-N 0 0 435.476 5.053 50 0 biogenic IKAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCc3cccnc3)c(=O)oc12 ZINC000008791627 569476281 /nfs/dbraw/zinc/47/62/81/569476281.db2.gz RQYDRUMPAYTEGW-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 ZINC000008791601 569476291 /nfs/dbraw/zinc/47/62/91/569476291.db2.gz GDAKCWPSFNXJJF-UHFFFAOYSA-N 0 0 435.476 5.053 50 0 biogenic IKAARN CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1OCC ZINC000008793909 569476418 /nfs/dbraw/zinc/47/64/18/569476418.db2.gz QQYKRWOGBBPTHJ-UHFFFAOYSA-N 0 0 448.342 5.017 50 0 IKAARN CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1 ZINC000008811193 569476601 /nfs/dbraw/zinc/47/66/01/569476601.db2.gz UKJJYUZZTLLQIZ-UHFFFAOYSA-N 0 0 448.629 5.395 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2Sc2ccc(C)cc21 ZINC000008813175 569476718 /nfs/dbraw/zinc/47/67/18/569476718.db2.gz DVGSEEZYKWCJFN-UHFFFAOYSA-N 0 0 428.601 6.661 50 0 IKAARN O=C1CCCC[C@H]1Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1 ZINC000008825139 569477357 /nfs/dbraw/zinc/47/73/57/569477357.db2.gz UIKFDZSADIUIHQ-OAQYLSRUSA-N 0 0 435.936 6.209 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000008825844 569477431 /nfs/dbraw/zinc/47/74/31/569477431.db2.gz XAUMGDNUJFGXHX-XCLFUZPHSA-N 0 0 433.335 5.371 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000008825845 569477467 /nfs/dbraw/zinc/47/74/67/569477467.db2.gz XAUMGDNUJFGXHX-ZUOKHONESA-N 0 0 433.335 5.371 50 0 IKAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2[C@H](C)c2ccncc2)c(C)c1 ZINC000008826414 569477560 /nfs/dbraw/zinc/47/75/60/569477560.db2.gz RPLDGDDTXYPPND-GOSISDBHSA-N 0 0 429.549 5.303 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008827466 569477640 /nfs/dbraw/zinc/47/76/40/569477640.db2.gz FRYFFVIUOPXRAU-JOCHJYFZSA-N 0 0 444.918 5.889 50 0 IKAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008827467 569477647 /nfs/dbraw/zinc/47/76/47/569477647.db2.gz FRYFFVIUOPXRAU-QFIPXVFZSA-N 0 0 444.918 5.889 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)n1 ZINC000008827449 569477655 /nfs/dbraw/zinc/47/76/55/569477655.db2.gz JLKKEQJZVHNSIE-KRWDZBQOSA-N 0 0 426.856 5.100 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(c1ccccn1)C3=O ZINC000008827480 569477659 /nfs/dbraw/zinc/47/76/59/569477659.db2.gz ZPUYSDFEWPWSAY-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc3ccccc32)CC1=O ZINC000008828141 569477781 /nfs/dbraw/zinc/47/77/81/569477781.db2.gz SNCUBBQBOPILER-JOCHJYFZSA-N 0 0 447.538 5.767 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc32)CC1=O ZINC000008828142 569477786 /nfs/dbraw/zinc/47/77/86/569477786.db2.gz SNCUBBQBOPILER-QFIPXVFZSA-N 0 0 447.538 5.767 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 ZINC000008828177 569477787 /nfs/dbraw/zinc/47/77/87/569477787.db2.gz UXOSPPJFMINVEX-MRXNPFEDSA-N 0 0 449.913 5.406 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 ZINC000008828199 569477791 /nfs/dbraw/zinc/47/77/91/569477791.db2.gz NBUUMQWGGAJHQQ-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)c1 ZINC000008828160 569477793 /nfs/dbraw/zinc/47/77/93/569477793.db2.gz QZUKJRQITFRACY-QHCPKHFHSA-N 0 0 431.539 6.067 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008828295 569477812 /nfs/dbraw/zinc/47/78/12/569477812.db2.gz FWYWDIKJZQEQMQ-HXUWFJFHSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1cc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)ccc1Cl ZINC000008828286 569477826 /nfs/dbraw/zinc/47/78/26/569477826.db2.gz KNZHGYBNKNVNFQ-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1Cc1ccccc1 ZINC000008828305 569477842 /nfs/dbraw/zinc/47/78/42/569477842.db2.gz PQSJLPVWRALWBT-HXUWFJFHSA-N 0 0 445.950 5.285 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008828297 569477849 /nfs/dbraw/zinc/47/78/49/569477849.db2.gz YWTPVMRKSUAUIY-HXUWFJFHSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 ZINC000008828308 569477855 /nfs/dbraw/zinc/47/78/55/569477855.db2.gz UZFSBZZGELXWMV-FQEVSTJZSA-N 0 0 429.951 5.875 50 0 IKAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 ZINC000008828241 569477856 /nfs/dbraw/zinc/47/78/56/569477856.db2.gz SEFDSHOKCIRFME-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1cc(Br)cc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O ZINC000008834426 569477870 /nfs/dbraw/zinc/47/78/70/569477870.db2.gz WIYZQLCTYUKXJZ-UHFFFAOYSA-N 0 0 430.342 5.053 50 0 IKAARN CCCCCOc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1OC ZINC000008834591 569477962 /nfs/dbraw/zinc/47/79/62/569477962.db2.gz CDMMYVDYRNCIOY-UHFFFAOYSA-N 0 0 446.341 5.065 50 0 IKAARN CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000008836564 569478110 /nfs/dbraw/zinc/47/81/10/569478110.db2.gz DQRZKBQMAHPXAR-LBPRGKRZSA-N 0 0 426.879 5.151 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c1 ZINC000008837655 569478200 /nfs/dbraw/zinc/47/82/00/569478200.db2.gz FXSYKZIRKOHJLA-PXNSSMCTSA-N 0 0 429.701 5.938 50 0 IKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000008837792 569478203 /nfs/dbraw/zinc/47/82/03/569478203.db2.gz KMFYGZYUQZOHCZ-AHKZPQOWSA-N 0 0 428.532 6.116 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1OC ZINC000008837880 569478222 /nfs/dbraw/zinc/47/82/22/569478222.db2.gz HHHQUJJJCOQYRW-HOFKKMOUSA-N 0 0 442.559 6.244 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000008837573 569478258 /nfs/dbraw/zinc/47/82/58/569478258.db2.gz PZZQAYBEEYXVLQ-OXJNMPFZSA-N 0 0 433.371 5.339 50 0 IKAARN Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 ZINC000008837627 569478273 /nfs/dbraw/zinc/47/82/73/569478273.db2.gz WFQNXUYEZSWZBB-UHFFFAOYSA-N 0 0 434.590 5.156 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCCC2 ZINC000008843225 569478488 /nfs/dbraw/zinc/47/84/88/569478488.db2.gz JPQMVDYDCQQGCN-UHFFFAOYSA-N 0 0 448.588 6.229 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000008843201 569478492 /nfs/dbraw/zinc/47/84/92/569478492.db2.gz MPWUBCCFFUPCKN-UHFFFAOYSA-N 0 0 438.911 5.642 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)C(C)(c4ccccc4)c4ccccc4)cc3)sc2c1 ZINC000008843197 569478498 /nfs/dbraw/zinc/47/84/98/569478498.db2.gz WCCAOJURPOPZJF-UHFFFAOYSA-N 0 0 448.591 7.216 50 0 IKAARN C[C@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000008844096 569478567 /nfs/dbraw/zinc/47/85/67/569478567.db2.gz WIFJPOYNLOHKKU-CYBMUJFWSA-N 0 0 439.334 5.331 50 0 IKAARN Cc1ccc([C@@H]2Nc3c(sc4nc(C5CC5)cc(-c5ccc(Cl)cc5)c43)C(=O)N2)o1 ZINC000008844867 569478664 /nfs/dbraw/zinc/47/86/64/569478664.db2.gz QJLJZJFDMMUESO-OAQYLSRUSA-N 0 0 435.936 6.250 50 0 IKAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(Cc2ccco2)C3=O)c1 ZINC000008845256 569478747 /nfs/dbraw/zinc/47/87/47/569478747.db2.gz DELIXPQEJZCUSI-RUZDIDTESA-N 0 0 427.504 5.553 50 0 IKAARN Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(Cc2ccco2)C3=O)c(O)c1 ZINC000008845467 569478822 /nfs/dbraw/zinc/47/88/22/569478822.db2.gz GFWQOLASQQOIQP-QHCPKHFHSA-N 0 0 433.895 5.391 50 0 IKAARN CCCCOc1c(Cl)cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1Cl ZINC000008845942 569478891 /nfs/dbraw/zinc/47/88/91/569478891.db2.gz OKAJYDORXFTODR-UHFFFAOYSA-N 0 0 429.347 6.414 50 0 IKAARN N=C1SC(=Cc2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000008846433 569479074 /nfs/dbraw/zinc/47/90/74/569479074.db2.gz OPLRQNVOSHQUFB-KCBCAQTCSA-N 0 0 443.301 5.034 50 0 IKAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008848065 569479116 /nfs/dbraw/zinc/47/91/16/569479116.db2.gz RPESGGLWOMMCMK-GOSISDBHSA-N 0 0 437.927 5.160 50 0 IKAARN CCOc1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1OC ZINC000008846723 569479119 /nfs/dbraw/zinc/47/91/19/569479119.db2.gz MFPPOWAYQGVVNC-MUUNZHRXSA-N 0 0 437.539 6.527 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1Br ZINC000008850942 569479354 /nfs/dbraw/zinc/47/93/54/569479354.db2.gz RWLZMOJAJRPYCU-AWEZNQCLSA-N 0 0 431.355 5.087 50 0 IKAARN Cc1cccc(C)c1NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000008852541 569479514 /nfs/dbraw/zinc/47/95/14/569479514.db2.gz JYTBLLXKLQOZRJ-UHFFFAOYSA-N 0 0 445.997 5.325 50 0 IKAARN Clc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1Cl ZINC000008855107 569479658 /nfs/dbraw/zinc/47/96/58/569479658.db2.gz UPEITDLQTROXHQ-VWLOTQADSA-N 0 0 432.350 7.426 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(Br)s4)c(=O)c23)cc1 ZINC000008855635 569479688 /nfs/dbraw/zinc/47/96/88/569479688.db2.gz QTTSHCPBGJAIHM-UHFFFAOYSA-N 0 0 445.363 5.140 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Br)cc2)s1)Nc1ccc(Cl)cc1 ZINC000008856485 569479797 /nfs/dbraw/zinc/47/97/97/569479797.db2.gz ISEMAJBHEGRWPK-UHFFFAOYSA-N 0 0 439.722 5.177 50 0 IKAARN Clc1ccc(OCc2nc3ccccc3n2Cc2cccc3ccccc32)c(Cl)c1 ZINC000008860246 569479948 /nfs/dbraw/zinc/47/99/48/569479948.db2.gz PWUNKAJQNQSBBJ-UHFFFAOYSA-N 0 0 433.338 7.124 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CSc3ncnc4sccc43)[C@@H](c3ccco3)C2)cc1 ZINC000008861840 569480041 /nfs/dbraw/zinc/48/00/41/569480041.db2.gz UKZASEYOPGPZGD-GOSISDBHSA-N 0 0 434.546 5.063 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000008862141 569480102 /nfs/dbraw/zinc/48/01/02/569480102.db2.gz JJYDQTFISJZUHI-NSHDSACASA-N 0 0 449.399 5.223 50 0 IKAARN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008868034 569480343 /nfs/dbraw/zinc/48/03/43/569480343.db2.gz KLTZAZPJHPOFPO-VTNVISAASA-N 0 0 437.605 5.244 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008869409 569480424 /nfs/dbraw/zinc/48/04/24/569480424.db2.gz PHKZAQZUAVDEGJ-XOYGFPHKSA-N 0 0 426.368 7.122 50 0 IKAARN Cc1ccc2oc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)cc(=O)c2c1 ZINC000008869207 569480453 /nfs/dbraw/zinc/48/04/53/569480453.db2.gz PRZDRXKINCOFMN-UHFFFAOYSA-N 0 0 441.414 5.470 50 0 IKAARN Cc1oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000008870342 569480528 /nfs/dbraw/zinc/48/05/28/569480528.db2.gz MEJNEMNIJQXSQF-UHFFFAOYSA-N 0 0 449.528 5.516 50 0 IKAARN Cc1oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc2c1C(=O)OCc1ccccc1 ZINC000008870292 569480549 /nfs/dbraw/zinc/48/05/49/569480549.db2.gz FJHSSOWZYIERHX-UHFFFAOYSA-N 0 0 435.501 5.207 50 0 IKAARN Cc1oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)OC(C)C ZINC000008870337 569480557 /nfs/dbraw/zinc/48/05/57/569480557.db2.gz SMJNOWSKRSIOPV-UHFFFAOYSA-N 0 0 429.538 5.341 50 0 IKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccc(C)cc3)c(C)cc2oc1-c1ccccc1 ZINC000008870333 569480560 /nfs/dbraw/zinc/48/05/60/569480560.db2.gz YHTXSAJFHSGSCH-UHFFFAOYSA-N 0 0 449.528 5.694 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C[C@H](C(C)(C)C)CC2)c(C)c1 ZINC000008870322 569480586 /nfs/dbraw/zinc/48/05/86/569480586.db2.gz LFGKVXVKVAWOBL-LJQANCHMSA-N 0 0 439.621 6.618 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)cc3c2C1 ZINC000008870287 569480588 /nfs/dbraw/zinc/48/05/88/569480588.db2.gz FFNROQRXQSGOTQ-MRXNPFEDSA-N 0 0 446.012 6.737 50 0 IKAARN Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2c1C(=O)OC(C)(C)C ZINC000008870414 569480634 /nfs/dbraw/zinc/48/06/34/569480634.db2.gz HYAQWAGFTYSWNK-UHFFFAOYSA-N 0 0 429.538 5.621 50 0 IKAARN CCN1c2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)c3cccc(c23)C1=O ZINC000008870445 569480648 /nfs/dbraw/zinc/48/06/48/569480648.db2.gz SDAIALYVFFPNNU-UHFFFAOYSA-N 0 0 446.528 5.246 50 0 IKAARN CCCCOCCCn1c2nc3ccccc3nc2nc1-c1ccc(Br)cc1 ZINC000008871025 569480708 /nfs/dbraw/zinc/48/07/08/569480708.db2.gz JZXXLJJSHGBRNT-UHFFFAOYSA-N 0 0 439.357 5.616 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 ZINC000008871072 569480717 /nfs/dbraw/zinc/48/07/17/569480717.db2.gz XSAFZFDQIFMMGQ-LJQANCHMSA-N 0 0 443.595 5.354 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 ZINC000008871379 569480751 /nfs/dbraw/zinc/48/07/51/569480751.db2.gz NRSGXAAQNKAXPS-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC000008871419 569480761 /nfs/dbraw/zinc/48/07/61/569480761.db2.gz QIXXFWIVYKSDBP-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1Cl ZINC000008871260 569480767 /nfs/dbraw/zinc/48/07/67/569480767.db2.gz SJOKQTHOJKOQMB-IBGZPJMESA-N 0 0 445.950 5.679 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)c1 ZINC000008871410 569480786 /nfs/dbraw/zinc/48/07/86/569480786.db2.gz FEQHTJVECFXNOP-QFIPXVFZSA-N 0 0 447.538 5.767 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000008871286 569480794 /nfs/dbraw/zinc/48/07/94/569480794.db2.gz JVMJTPYZRLXXAX-IBGZPJMESA-N 0 0 445.950 5.657 50 0 IKAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000008874773 569480981 /nfs/dbraw/zinc/48/09/81/569480981.db2.gz YNWFISFRIUVELK-MDWZMJQESA-N 0 0 445.569 5.498 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000008873474 569480985 /nfs/dbraw/zinc/48/09/85/569480985.db2.gz GMIJKBQEOIWYHJ-SANMLTNESA-N 0 0 430.573 5.837 50 0 IKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2cccc(C)c2C)nn1 ZINC000008875939 569481061 /nfs/dbraw/zinc/48/10/61/569481061.db2.gz NUSGJUPDKMXLEY-UHFFFAOYSA-N 0 0 447.589 5.318 50 0 IKAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OC(=O)c1ccccc1 ZINC000008877247 569481196 /nfs/dbraw/zinc/48/11/96/569481196.db2.gz UPBAUJDDYQJSKJ-UHFFFAOYSA-N 0 0 430.456 5.313 50 0 biogenic IKAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000008878250 569481256 /nfs/dbraw/zinc/48/12/56/569481256.db2.gz IMGVCENVHDWENK-UHFFFAOYSA-N 0 0 432.958 5.090 50 0 IKAARN CCCCN1C(=O)c2cccc3c2c1ccc3NC(=O)c1ccc(Br)s1 ZINC000008879768 569481392 /nfs/dbraw/zinc/48/13/92/569481392.db2.gz JPBDZSIDWONXMM-UHFFFAOYSA-N 0 0 429.339 5.676 50 0 IKAARN O=C(OCc1csc(-c2ccccc2Cl)n1)C(O)(c1ccccc1)c1ccccc1 ZINC000008880381 569481409 /nfs/dbraw/zinc/48/14/09/569481409.db2.gz SOBGEEWWQFJMAV-UHFFFAOYSA-N 0 0 435.932 5.443 50 0 IKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccc3c(c2)OCO3)n1 ZINC000039370718 569481530 /nfs/dbraw/zinc/48/15/30/569481530.db2.gz FRHRAYWBYVKBBN-UHFFFAOYSA-N 0 0 442.306 5.080 50 0 IKAARN CCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)CO3 ZINC000039321614 569481531 /nfs/dbraw/zinc/48/15/31/569481531.db2.gz HACPEYLOTMOYFJ-UHFFFAOYSA-N 0 0 432.593 6.470 50 0 IKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccco3)o2)cc1 ZINC000039404181 569481577 /nfs/dbraw/zinc/48/15/77/569481577.db2.gz PEQZTOYQEMXOKO-UHFFFAOYSA-N 0 0 428.897 5.341 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCc3ccccc3C2)cc1 ZINC000039404159 569481607 /nfs/dbraw/zinc/48/16/07/569481607.db2.gz GFPCFZZUMAVBJX-UHFFFAOYSA-N 0 0 446.554 6.049 50 0 IKAARN O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)[C@H]1CC(=O)Nc2ccccc21 ZINC000039538415 569481693 /nfs/dbraw/zinc/48/16/93/569481693.db2.gz RWSOEBZOGCBQCM-ZDUSSCGKSA-N 0 0 437.571 5.665 50 0 IKAARN O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000039538414 569481719 /nfs/dbraw/zinc/48/17/19/569481719.db2.gz RWSOEBZOGCBQCM-CYBMUJFWSA-N 0 0 437.571 5.665 50 0 IKAARN Cc1noc(C)c1CSCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000039575160 569481758 /nfs/dbraw/zinc/48/17/58/569481758.db2.gz XLAROICSPJAOBC-LJQANCHMSA-N 0 0 429.929 5.149 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NCc2nnc(SCc3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000039709651 569481880 /nfs/dbraw/zinc/48/18/80/569481880.db2.gz OEGXFKUDSMXNHM-UHFFFAOYSA-N 0 0 449.498 5.608 50 0 IKAARN COc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000039844470 569481973 /nfs/dbraw/zinc/48/19/73/569481973.db2.gz RZCAHTSMCLTQHE-UHFFFAOYSA-N 0 0 448.544 5.146 50 0 IKAARN COC(=O)[C@](Nc1ccc(Oc2ccccc2)cc1)(c1cc(C)c(O)c(C)c1)C(F)(F)F ZINC000039931555 569481993 /nfs/dbraw/zinc/48/19/93/569481993.db2.gz RAASWESKTFQILR-HSZRJFAPSA-N 0 0 445.437 5.844 50 0 IKAARN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)c(-c3nc4ccccc4s3)c2N)cc1 ZINC000039930038 569482023 /nfs/dbraw/zinc/48/20/23/569482023.db2.gz KRVUWKYHQMPMJO-UHFFFAOYSA-N 0 0 425.517 5.292 50 0 IKAARN CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccco2)C2(C(=O)Nc3ccccc3)CCCCC2)C1(C)C ZINC000039931735 569482036 /nfs/dbraw/zinc/48/20/36/569482036.db2.gz ZHWREXPFMJFWSP-DNQXCXABSA-N 0 0 448.607 6.188 50 0 IKAARN COc1nc2c(c(=O)n1Cc1ccc(SC)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000039932925 569482042 /nfs/dbraw/zinc/48/20/42/569482042.db2.gz CEGVTXPPQJMHLX-UHFFFAOYSA-N 0 0 432.589 5.447 50 0 IKAARN O=C(Sc1ccc(Cl)cn1)c1cn2cc(C(Cl)(Cl)Cl)cc(Cl)c2n1 ZINC000039931830 569482053 /nfs/dbraw/zinc/48/20/53/569482053.db2.gz DWQAUTTVKRRYEW-UHFFFAOYSA-N 0 0 441.554 5.795 50 0 IKAARN CC(C)[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc2c(c1)OCCCO2 ZINC000039984351 569482357 /nfs/dbraw/zinc/48/23/57/569482357.db2.gz NUSWDHITESHHGL-NRFANRHFSA-N 0 0 428.579 5.089 50 0 IKAARN O=C(Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)OCc1nnsc1Cl ZINC000039996288 569482387 /nfs/dbraw/zinc/48/23/87/569482387.db2.gz JQXKLESYNGJUIG-UHFFFAOYSA-N 0 0 443.937 5.393 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2)cc1Cl ZINC000040005497 569482487 /nfs/dbraw/zinc/48/24/87/569482487.db2.gz YIMIVYFDINGWSJ-IVZQSRNASA-N 0 0 435.911 5.160 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2)cc1Cl ZINC000040005499 569482495 /nfs/dbraw/zinc/48/24/95/569482495.db2.gz YIMIVYFDINGWSJ-QRQCRPRQSA-N 0 0 435.911 5.160 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000040009953 569482511 /nfs/dbraw/zinc/48/25/11/569482511.db2.gz HVZDMWRXEGMDNO-UHFFFAOYSA-N 0 0 437.546 5.054 50 0 IKAARN CCc1nn2c(nc(CNc3cc(Cl)ccc3Sc3ccc(F)cc3)cc2=O)s1 ZINC000040009485 569482520 /nfs/dbraw/zinc/48/25/20/569482520.db2.gz ITXUHCOEWIQVPD-UHFFFAOYSA-N 0 0 446.960 5.269 50 0 IKAARN COc1cc2c(cc1NC(=O)NCc1cccc(NC(=O)C3CC3)c1)oc1ccccc12 ZINC000040024067 569482753 /nfs/dbraw/zinc/48/27/53/569482753.db2.gz PRDXAOKKHRYLCP-UHFFFAOYSA-N 0 0 429.476 5.265 50 0 IKAARN O=C(CSc1ccccc1C(=O)N1CCc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000008881176 569482903 /nfs/dbraw/zinc/48/29/03/569482903.db2.gz DPKQVMQETFDCLH-UHFFFAOYSA-N 0 0 446.616 5.067 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)cc1C ZINC000008882808 569483014 /nfs/dbraw/zinc/48/30/14/569483014.db2.gz DILBUAWXVHTXDE-UHFFFAOYSA-N 0 0 429.545 5.407 50 0 IKAARN CCc1ccc(N(C(=O)C[C@@H](NC(C)=O)c2cccs2)c2nc3ccccc3s2)cc1 ZINC000040032305 569483130 /nfs/dbraw/zinc/48/31/30/569483130.db2.gz DDWATJCZFZUWMO-HXUWFJFHSA-N 0 0 449.601 5.852 50 0 IKAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000008887245 569483236 /nfs/dbraw/zinc/48/32/36/569483236.db2.gz FBTNQINPZNPNSZ-NDEPHWFRSA-N 0 0 434.495 5.157 50 0 IKAARN C[C@H](Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C)c1nc2ccccc2c(=O)[nH]1 ZINC000008888025 569483253 /nfs/dbraw/zinc/48/32/53/569483253.db2.gz PGBAWKOSYNMYFQ-GQIGUUNPSA-N 0 0 446.580 5.181 50 0 IKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000040040831 569483498 /nfs/dbraw/zinc/48/34/98/569483498.db2.gz RWRQZHGKBIKOOR-QGZVFWFLSA-N 0 0 438.911 5.525 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 ZINC000040040630 569483512 /nfs/dbraw/zinc/48/35/12/569483512.db2.gz AJKUYBVEGUNZIV-UHFFFAOYSA-N 0 0 439.338 5.225 50 0 IKAARN C[C@@H](C(=O)Nc1ccccc1Cl)n1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000008893599 569483571 /nfs/dbraw/zinc/48/35/71/569483571.db2.gz CCQUTYMYCUNAEM-LBPRGKRZSA-N 0 0 427.888 5.117 50 0 IKAARN CCOc1ccc(-c2nc3sc(-c4ccc(OCC)c(OC)c4)nc3s2)cc1OC ZINC000008893355 569483599 /nfs/dbraw/zinc/48/35/99/569483599.db2.gz MHRVTZPOPZROFH-UHFFFAOYSA-N 0 0 442.562 5.901 50 0 IKAARN CC(C)n1nccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000008894404 569483655 /nfs/dbraw/zinc/48/36/55/569483655.db2.gz PMCLZDDERYZTIT-UHFFFAOYSA-N 0 0 444.992 5.222 50 0 IKAARN Cc1csc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 ZINC000008894959 569483685 /nfs/dbraw/zinc/48/36/85/569483685.db2.gz PDISZDMWAJNWDT-DYVFJYSZSA-N 0 0 431.970 5.556 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000040049214 569483802 /nfs/dbraw/zinc/48/38/02/569483802.db2.gz JWURBIKACBTOLE-UHFFFAOYSA-N 0 0 436.562 5.032 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1CCC1=CCCCC1 ZINC000008896559 569483910 /nfs/dbraw/zinc/48/39/10/569483910.db2.gz SEWKYKWYBKEGPT-UHFFFAOYSA-N 0 0 435.597 5.161 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)n1Cc1ccccc1 ZINC000008897554 569483932 /nfs/dbraw/zinc/48/39/32/569483932.db2.gz RWYVXWSKADHVLS-HSZRJFAPSA-N 0 0 428.561 5.415 50 0 IKAARN Cc1ccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000008897458 569483936 /nfs/dbraw/zinc/48/39/36/569483936.db2.gz DQUGKLFRKJQTSG-GOSISDBHSA-N 0 0 441.940 5.012 50 0 IKAARN COc1ccc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1Cl ZINC000008896252 569483949 /nfs/dbraw/zinc/48/39/49/569483949.db2.gz GTYPEPBYTAXRMN-UHFFFAOYSA-N 0 0 431.879 5.431 50 0 IKAARN O=C(CSc1nncs1)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 ZINC000008897775 569483976 /nfs/dbraw/zinc/48/39/76/569483976.db2.gz WOHITWKWIRNPSK-UHFFFAOYSA-N 0 0 447.589 5.000 50 0 IKAARN Cc1cc(=O)oc2cc(Oc3ncnc4scc(-c5ccc(C(C)C)cc5)c43)ccc12 ZINC000008898676 569484008 /nfs/dbraw/zinc/48/40/08/569484008.db2.gz XLAOKIXHMBPQGL-UHFFFAOYSA-N 0 0 428.513 6.689 50 0 IKAARN CCOc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(OCC)c1OCC ZINC000008898812 569484034 /nfs/dbraw/zinc/48/40/34/569484034.db2.gz CLQGSZJPFLBBOK-HNNXBMFYSA-N 0 0 428.554 5.326 50 0 IKAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 ZINC000008899256 569484041 /nfs/dbraw/zinc/48/40/41/569484041.db2.gz OYSVTKKKXRMUPI-MRXNPFEDSA-N 0 0 449.507 5.747 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 ZINC000008901794 569484323 /nfs/dbraw/zinc/48/43/23/569484323.db2.gz LYMXGDHHASYIBR-GFCCVEGCSA-N 0 0 449.001 5.047 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)NCc2ccc(-c3csc(C)n3)s2)no1 ZINC000008901539 569484324 /nfs/dbraw/zinc/48/43/24/569484324.db2.gz LAOHOWSSTGTPBE-UHFFFAOYSA-N 0 0 442.591 5.094 50 0 IKAARN Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@@H]2CCCO2)cc1 ZINC000008901727 569484376 /nfs/dbraw/zinc/48/43/76/569484376.db2.gz OLNSYDRUYBXUPM-INIZCTEOSA-N 0 0 442.997 5.680 50 0 IKAARN Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(-c4ccccc4)cc2)CSC3)c1 ZINC000008909833 569484754 /nfs/dbraw/zinc/48/47/54/569484754.db2.gz DECHBRVMLMLIKA-UHFFFAOYSA-N 0 0 425.557 5.776 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1SCc1cn2ccccc2n1 ZINC000040060288 569484837 /nfs/dbraw/zinc/48/48/37/569484837.db2.gz XDVBSJQRMGGXJT-UHFFFAOYSA-N 0 0 428.561 5.479 50 0 IKAARN CSc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)cc1 ZINC000008911654 569484888 /nfs/dbraw/zinc/48/48/88/569484888.db2.gz ZTRUIGMMMRRJBB-UHFFFAOYSA-N 0 0 437.565 5.451 50 0 IKAARN COc1ccc(-c2cn3c(n2)sc2cc(C(=O)Nc4ccc(C)c(F)c4)ccc23)cc1 ZINC000008911914 569484896 /nfs/dbraw/zinc/48/48/96/569484896.db2.gz PQDIDBKRZWPZJG-UHFFFAOYSA-N 0 0 431.492 5.924 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4C)cn32)c1 ZINC000008911909 569484899 /nfs/dbraw/zinc/48/48/99/569484899.db2.gz JHTCWYNDPCLVCF-UHFFFAOYSA-N 0 0 425.557 6.071 50 0 IKAARN COC(=O)c1cc2c(-c3cccs3)nn(-c3ccccc3)c2n1Cc1cc(C)ccc1C ZINC000008911741 569484902 /nfs/dbraw/zinc/48/49/02/569484902.db2.gz IEAHQLGXTDDEMO-UHFFFAOYSA-N 0 0 441.556 6.007 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(Cl)cc4)cn32)cc1 ZINC000008911767 569484910 /nfs/dbraw/zinc/48/49/10/569484910.db2.gz IKGCEOUQTWAKFT-UHFFFAOYSA-N 0 0 445.975 6.362 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911852 569484918 /nfs/dbraw/zinc/48/49/18/569484918.db2.gz FKRWCWVWQBPARW-UHFFFAOYSA-N 0 0 430.577 5.220 50 0 IKAARN CC1CCN(c2nc3ccc(C(=O)NCc4ccccc4Br)cc3s2)CC1 ZINC000008911701 569484921 /nfs/dbraw/zinc/48/49/21/569484921.db2.gz RUXUKBHOMIYEEG-UHFFFAOYSA-N 0 0 444.398 5.225 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000008912226 569484961 /nfs/dbraw/zinc/48/49/61/569484961.db2.gz HYJQWWFCOIRPAD-VWLOTQADSA-N 0 0 429.951 6.618 50 0 IKAARN CCOc1ccc(-c2nc(CSCc3nnc(-c4ccc(F)cc4)o3)cs2)cc1 ZINC000040067401 569484983 /nfs/dbraw/zinc/48/49/83/569484983.db2.gz GIMHKSKSXQIQAU-UHFFFAOYSA-N 0 0 427.526 5.831 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000008912898 569485128 /nfs/dbraw/zinc/48/51/28/569485128.db2.gz RPVGUYXWVIVEDG-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1coc(Br)c1 ZINC000040068196 569485150 /nfs/dbraw/zinc/48/51/50/569485150.db2.gz LAMKBBGLMJIXGW-UHFFFAOYSA-N 0 0 430.736 5.092 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(C)c2)c1 ZINC000008913008 569485154 /nfs/dbraw/zinc/48/51/54/569485154.db2.gz KAAVWSNYMPRWDM-UHFFFAOYSA-N 0 0 434.590 5.393 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1Cn1c2cnccc2nc1SCc1cccc(F)c1 ZINC000008913044 569485160 /nfs/dbraw/zinc/48/51/60/569485160.db2.gz VSWBZEBSFQCNML-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cn1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000008913074 569485168 /nfs/dbraw/zinc/48/51/68/569485168.db2.gz DWQLVQLMWFUGND-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1cccc(F)c1 ZINC000008913066 569485182 /nfs/dbraw/zinc/48/51/82/569485182.db2.gz MTQQFBJCHQQOMX-FQEVSTJZSA-N 0 0 438.503 5.592 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913040 569485192 /nfs/dbraw/zinc/48/51/92/569485192.db2.gz WVLHKOFEWAJYOO-OAQYLSRUSA-N 0 0 434.540 5.761 50 0 IKAARN CCN(C(=O)Cn1c2cnccc2nc1SCc1cccc(C)c1)c1cccc(C)c1 ZINC000008913010 569485201 /nfs/dbraw/zinc/48/52/01/569485201.db2.gz SHNKZZBTXHQQDP-UHFFFAOYSA-N 0 0 430.577 5.394 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2ccc(F)cc2)c1 ZINC000008913085 569485210 /nfs/dbraw/zinc/48/52/10/569485210.db2.gz VAXMVNHLWAUROO-UHFFFAOYSA-N 0 0 438.553 5.223 50 0 IKAARN CCc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2cc(C)ccc2C)c1 ZINC000008913108 569485211 /nfs/dbraw/zinc/48/52/11/569485211.db2.gz JULVLJLBUPGSCH-UHFFFAOYSA-N 0 0 430.577 5.542 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccccc2F)c(Cl)c1 ZINC000008913183 569485213 /nfs/dbraw/zinc/48/52/13/569485213.db2.gz OSCHVWWVXWXMCU-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN CC(C)c1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000008913179 569485218 /nfs/dbraw/zinc/48/52/18/569485218.db2.gz CCYRPSDXYXCUPH-UHFFFAOYSA-N 0 0 434.540 5.625 50 0 IKAARN CC(C)c1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008913082 569485221 /nfs/dbraw/zinc/48/52/21/569485221.db2.gz CLGHCQVKILWWIM-UHFFFAOYSA-N 0 0 434.540 5.625 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000008913096 569485237 /nfs/dbraw/zinc/48/52/37/569485237.db2.gz VKQHJFJZIKNDEX-FQEVSTJZSA-N 0 0 438.503 5.592 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2ccccc2F)c1 ZINC000008913182 569485253 /nfs/dbraw/zinc/48/52/53/569485253.db2.gz LLKCNEUQASWYDZ-UHFFFAOYSA-N 0 0 438.553 5.223 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1cccc(Cl)c1 ZINC000008913218 569485260 /nfs/dbraw/zinc/48/52/60/569485260.db2.gz NWTLGHCFRVFPSX-UHFFFAOYSA-N 0 0 446.963 6.389 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1F ZINC000008913234 569485267 /nfs/dbraw/zinc/48/52/67/569485267.db2.gz ZCYAFFJMYWQCHW-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN Cc1ccccc1CSc1nc2ccncc2n1CC(=O)Nc1ccc(Cl)cc1F ZINC000008913203 569485272 /nfs/dbraw/zinc/48/52/72/569485272.db2.gz OEQCUMZYLWNFGT-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN Cc1cccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000008913279 569485275 /nfs/dbraw/zinc/48/52/75/569485275.db2.gz JURUBSWOXDRGND-UHFFFAOYSA-N 0 0 442.588 5.316 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccccc1C ZINC000008913215 569485276 /nfs/dbraw/zinc/48/52/76/569485276.db2.gz FPRAQWYIFOQDMC-OAQYLSRUSA-N 0 0 434.540 5.761 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1OC)n1c2cnccc2nc1SCc1ccccc1C ZINC000008913213 569485279 /nfs/dbraw/zinc/48/52/79/569485279.db2.gz QAVCKYGALINKLQ-OAQYLSRUSA-N 0 0 446.576 5.630 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008913290 569485303 /nfs/dbraw/zinc/48/53/03/569485303.db2.gz GYNMBOABKHJMGD-UHFFFAOYSA-N 0 0 430.577 5.220 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 ZINC000008913344 569485316 /nfs/dbraw/zinc/48/53/16/569485316.db2.gz OFCORGBEYCOWOY-QGZVFWFLSA-N 0 0 448.567 5.439 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008913449 569485335 /nfs/dbraw/zinc/48/53/35/569485335.db2.gz DAGNICCPTXYCAH-SFHVURJKSA-N 0 0 430.577 5.300 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000008913623 569485358 /nfs/dbraw/zinc/48/53/58/569485358.db2.gz VZFIJBAAXLJFLG-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2cccc(C)c2)cc1 ZINC000008913554 569485375 /nfs/dbraw/zinc/48/53/75/569485375.db2.gz SBLITSOKKNQQRW-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 ZINC000008915806 569485600 /nfs/dbraw/zinc/48/56/00/569485600.db2.gz OGGWLDLEDVZKDB-LJQANCHMSA-N 0 0 445.950 5.576 50 0 IKAARN COc1cc(C(=O)N(Cc2ccco2)Cc2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000008915751 569485608 /nfs/dbraw/zinc/48/56/08/569485608.db2.gz OYXFLUGSCQMTKE-UHFFFAOYSA-N 0 0 437.536 5.446 50 0 IKAARN C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CC1 ZINC000040070283 569485645 /nfs/dbraw/zinc/48/56/45/569485645.db2.gz LIQKACFPMKXVLZ-INIZCTEOSA-N 0 0 443.952 5.273 50 0 IKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)cc1 ZINC000008916295 569485730 /nfs/dbraw/zinc/48/57/30/569485730.db2.gz ABURPFIQWYMAKF-UHFFFAOYSA-N 0 0 435.883 5.584 50 0 IKAARN Cc1cc2nc(Sc3nnc(-c4cccc(Br)c4)o3)c3ccccc3n2n1 ZINC000040071556 569485787 /nfs/dbraw/zinc/48/57/87/569485787.db2.gz CEWDCQBOVXHWSV-UHFFFAOYSA-N 0 0 438.310 5.155 50 0 IKAARN CCCOc1ccc(/C=C2/S[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000008916890 569485858 /nfs/dbraw/zinc/48/58/58/569485858.db2.gz RNASDLCEOCKJBB-XKGHIZKOSA-N 0 0 445.584 6.612 50 0 IKAARN Cc1ccc(-c2nnc(CSc3nc(-c4cccs4)c(-c4cccs4)[nH]3)o2)cc1 ZINC000040072653 569486008 /nfs/dbraw/zinc/48/60/08/569486008.db2.gz JIPIWBPJWWLOSJ-UHFFFAOYSA-N 0 0 436.587 6.517 50 0 IKAARN COc1ccc(CN(C(=O)CC[C@]2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000008917831 569486126 /nfs/dbraw/zinc/48/61/26/569486126.db2.gz HFCXICIWIFMKPP-SANMLTNESA-N 0 0 441.568 5.469 50 0 biogenic IKAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC ZINC000008918081 569486203 /nfs/dbraw/zinc/48/62/03/569486203.db2.gz MBFGSOVOGFPPMA-MGZHDZRPSA-N 0 0 448.607 5.682 50 0 biogenic IKAARN CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC ZINC000008918108 569486216 /nfs/dbraw/zinc/48/62/16/569486216.db2.gz SJIHOEKCVPDYLP-XNWPQPEVSA-N 0 0 434.580 5.291 50 0 biogenic IKAARN C=Cc1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)cc1 ZINC000008918350 569486254 /nfs/dbraw/zinc/48/62/54/569486254.db2.gz KDUWYIVQEQBTBF-SQUITACLSA-N 0 0 434.532 6.096 50 0 IKAARN CCOc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=O)cc1 ZINC000008918496 569486263 /nfs/dbraw/zinc/48/62/63/569486263.db2.gz HSVRUODOWQRXHM-UKILVPOCSA-N 0 0 437.499 5.050 50 0 biogenic IKAARN CC(C)c1ccc(-c2nc(C(=O)NCCCn3ccnc3)cc3c4ccccc4[nH]c32)cc1 ZINC000008918544 569486267 /nfs/dbraw/zinc/48/62/67/569486267.db2.gz NBEHZDSFNXELOI-UHFFFAOYSA-N 0 0 437.547 5.523 50 0 biogenic IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2Br)N3)C1 ZINC000008919479 569486408 /nfs/dbraw/zinc/48/64/08/569486408.db2.gz FKNKZPSWMNBJEP-VOJFVSQTSA-N 0 0 449.414 6.186 50 0 IKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc1OCC ZINC000008919955 569486475 /nfs/dbraw/zinc/48/64/75/569486475.db2.gz BAMKEYFCDFMTHU-AOMKIAJQSA-N 0 0 442.625 6.516 50 0 IKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1OCC ZINC000008919950 569486494 /nfs/dbraw/zinc/48/64/94/569486494.db2.gz BAMKEYFCDFMTHU-ZHRRBRCNSA-N 0 0 442.625 6.516 50 0 IKAARN Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc5oc(C6CC6)nc5c4)c3)cn2c1 ZINC000040081610 569486597 /nfs/dbraw/zinc/48/65/97/569486597.db2.gz UVAOKDITBVWPRW-UHFFFAOYSA-N 0 0 438.487 5.493 50 0 IKAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040086080 569486676 /nfs/dbraw/zinc/48/66/76/569486676.db2.gz UNTCFCUJSAMAJD-UZLBHIALSA-N 0 0 431.552 5.016 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000008921267 569486817 /nfs/dbraw/zinc/48/68/17/569486817.db2.gz AFMOTXVOLLZXDC-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000008921735 569486845 /nfs/dbraw/zinc/48/68/45/569486845.db2.gz VYWBWXWYMBRISX-IBGZPJMESA-N 0 0 441.484 5.091 50 0 IKAARN Cc1ccc(-n2ncc3c2nc(SCc2ccc(Cl)c(Cl)c2)[nH]c3=O)cc1C ZINC000008921902 569486863 /nfs/dbraw/zinc/48/68/63/569486863.db2.gz MXWPASHBUDKYTR-UHFFFAOYSA-N 0 0 431.348 5.325 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2c(c1)CCCC2 ZINC000008921993 569486866 /nfs/dbraw/zinc/48/68/66/569486866.db2.gz QEWBGICYQNFYKF-HHHXNRCGSA-N 0 0 445.946 5.226 50 0 IKAARN O=C(C[C@]1(O)c2ccccc2N(CCCc2ccccc2)C1=O)c1ccc2ccccc2c1 ZINC000008922433 569486911 /nfs/dbraw/zinc/48/69/11/569486911.db2.gz GUALZOYUSUYMMQ-LJAQVGFWSA-N 0 0 435.523 5.280 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000008922697 569486930 /nfs/dbraw/zinc/48/69/30/569486930.db2.gz JVESINRXVWOZRS-MHZLTWQESA-N 0 0 447.962 5.581 50 0 IKAARN C[C@H](C(=O)c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000008922929 569486957 /nfs/dbraw/zinc/48/69/57/569486957.db2.gz PKJSCMUCXVTILM-OYLFLEFRSA-N 0 0 440.326 5.247 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccs1 ZINC000008922814 569486971 /nfs/dbraw/zinc/48/69/71/569486971.db2.gz LVLLQSYBZDXGIB-NRFANRHFSA-N 0 0 432.328 5.062 50 0 IKAARN C[C@@H](C(=O)c1ccccc1)[C@]1(O)c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000008922918 569486979 /nfs/dbraw/zinc/48/69/79/569486979.db2.gz PKJSCMUCXVTILM-OWJWWREXSA-N 0 0 440.326 5.247 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Sc2c(C)[nH]c3ccccc32)sc2c1CCC2 ZINC000008922789 569487013 /nfs/dbraw/zinc/48/70/13/569487013.db2.gz NPWXOTQMVAHVFL-ZDUSSCGKSA-N 0 0 428.579 5.323 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1C ZINC000008923073 569487017 /nfs/dbraw/zinc/48/70/17/569487017.db2.gz XVRXNTRPRUJKJN-HHHXNRCGSA-N 0 0 447.962 5.315 50 0 IKAARN C[C@H](C(=O)c1ccccc1)[C@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2Cl)C1=O ZINC000008923571 569487040 /nfs/dbraw/zinc/48/70/40/569487040.db2.gz UXAQLWXPNRLOML-MYYSRTQBSA-N 0 0 440.326 5.247 50 0 IKAARN Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 ZINC000008923702 569487084 /nfs/dbraw/zinc/48/70/84/569487084.db2.gz ITMWACWCNQEDJB-HSZRJFAPSA-N 0 0 444.314 5.211 50 0 IKAARN CCOc1ccc(CC(=O)NCCSc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1 ZINC000008924104 569487123 /nfs/dbraw/zinc/48/71/23/569487123.db2.gz CWTRSWBKXVKRGW-UHFFFAOYSA-N 0 0 448.563 5.824 50 0 IKAARN Cc1ccc(N(N=O)C2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)cc1 ZINC000008926035 569487203 /nfs/dbraw/zinc/48/72/03/569487203.db2.gz YFWIPQJBFBQOAF-UHFFFAOYSA-N 0 0 432.572 5.899 50 0 IKAARN Cc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(C)cc3)C(=O)N(CCC(C)C)C2(C)C)cc1 ZINC000008926370 569487246 /nfs/dbraw/zinc/48/72/46/569487246.db2.gz IESWCZIMZMMQTJ-JOCHJYFZSA-N 0 0 438.572 5.620 50 0 IKAARN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008926547 569487331 /nfs/dbraw/zinc/48/73/31/569487331.db2.gz OLYFMCMSKHMWKC-UHFFFAOYSA-N 0 0 425.760 5.092 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3cccc4ccccc43)C2=O)c1 ZINC000008927856 569487340 /nfs/dbraw/zinc/48/73/40/569487340.db2.gz OKFYJVXEHXIOSJ-LJAQVGFWSA-N 0 0 435.523 5.464 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4ccccc4c3)C2=O)c1 ZINC000008927832 569487382 /nfs/dbraw/zinc/48/73/82/569487382.db2.gz YODDNQLQJFUSMZ-LJAQVGFWSA-N 0 0 435.523 5.464 50 0 IKAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(I)cc1Cl ZINC000040090829 569487438 /nfs/dbraw/zinc/48/74/38/569487438.db2.gz DBNLKLLVGJLFJP-UHFFFAOYSA-N 0 0 438.652 5.160 50 0 IKAARN Cc1c(C[NH2+]CCCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000008932521 569487660 /nfs/dbraw/zinc/48/76/60/569487660.db2.gz BLXKELDYDSNBAS-UHFFFAOYSA-N 0 0 428.935 5.366 50 0 IKAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])cc1 ZINC000008932599 569487666 /nfs/dbraw/zinc/48/76/66/569487666.db2.gz JMPVWDRJHNSYFV-UHFFFAOYSA-N 0 0 434.580 5.199 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932514 569487678 /nfs/dbraw/zinc/48/76/78/569487678.db2.gz LWIWOTWZWODPKW-UHFFFAOYSA-N 0 0 426.557 5.045 50 0 IKAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000040103721 569488095 /nfs/dbraw/zinc/48/80/95/569488095.db2.gz SRUKZPSBSRUEBR-LLVKDONJSA-N 0 0 425.710 5.099 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1 ZINC000008940520 569488361 /nfs/dbraw/zinc/48/83/61/569488361.db2.gz DJAAJAUXCLDEEU-UHFFFAOYSA-N 0 0 427.504 5.225 50 0 IKAARN CCCCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1[C@H](CC)N(C)C ZINC000008941622 569488635 /nfs/dbraw/zinc/48/86/35/569488635.db2.gz YJNCJRKSTOJOBB-IBGZPJMESA-N 0 0 445.658 5.515 50 0 IKAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccccc2Cl)no1 ZINC000008942715 569488714 /nfs/dbraw/zinc/48/87/14/569488714.db2.gz CTIOLORVDQHHPO-UHFFFAOYSA-N 0 0 448.335 5.043 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008943103 569488742 /nfs/dbraw/zinc/48/87/42/569488742.db2.gz DQJOQAIVJHXUHH-MRXNPFEDSA-N 0 0 432.524 5.408 50 0 IKAARN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccc(SC(F)(F)F)cc1 ZINC000040118650 569489277 /nfs/dbraw/zinc/48/92/77/569489277.db2.gz ZWYLQMCVDNBNAY-UHFFFAOYSA-N 0 0 444.891 5.263 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)cc1C ZINC000040122698 569489640 /nfs/dbraw/zinc/48/96/40/569489640.db2.gz CUWHORCKBUHSKK-UHFFFAOYSA-N 0 0 447.510 5.121 50 0 IKAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000040129459 569489790 /nfs/dbraw/zinc/48/97/90/569489790.db2.gz OEWKTWWMEKIKJS-UHFFFAOYSA-N 0 0 429.501 5.049 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000008959762 569490346 /nfs/dbraw/zinc/49/03/46/569490346.db2.gz OARYCWWFGKMSFO-UHFFFAOYSA-N 0 0 430.932 5.009 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(-n2ccnc2)cc1C(F)(F)F ZINC000040134812 569490541 /nfs/dbraw/zinc/49/05/41/569490541.db2.gz FPDFVLMFBVBJDP-UHFFFAOYSA-N 0 0 437.849 5.651 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1=O ZINC000008961111 569490888 /nfs/dbraw/zinc/49/08/88/569490888.db2.gz REVJVGXATURBIZ-UHFFFAOYSA-N 0 0 446.887 5.052 50 0 IKAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc1O2 ZINC000008961278 569490946 /nfs/dbraw/zinc/49/09/46/569490946.db2.gz WDVYPBLODJYFKS-UHFFFAOYSA-N 0 0 436.533 5.388 50 0 IKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc1O2 ZINC000008961474 569491068 /nfs/dbraw/zinc/49/10/68/569491068.db2.gz YEWOBTAUTLOLDA-UHFFFAOYSA-N 0 0 436.533 5.103 50 0 IKAARN COc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4c(cccc4Cl)s3)oc21 ZINC000008962637 569491087 /nfs/dbraw/zinc/49/10/87/569491087.db2.gz SNCMJFMJSNXLAK-UHFFFAOYSA-N 0 0 449.919 5.947 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1ccccn1)C3=O ZINC000008964446 569491284 /nfs/dbraw/zinc/49/12/84/569491284.db2.gz LKRSIKMQNSDUCP-HXUWFJFHSA-N 0 0 437.282 5.553 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C)cc1C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965273 569491370 /nfs/dbraw/zinc/49/13/70/569491370.db2.gz ORVGCFYNOAHYAE-QHCPKHFHSA-N 0 0 428.536 5.011 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)n2)cc1 ZINC000040140326 569491535 /nfs/dbraw/zinc/49/15/35/569491535.db2.gz JHSSSLBECCTGHP-UHFFFAOYSA-N 0 0 425.558 5.096 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000008965910 569491634 /nfs/dbraw/zinc/49/16/34/569491634.db2.gz KIPSVRAZPQHLLH-SANMLTNESA-N 0 0 436.515 5.277 50 0 IKAARN CC(C)c1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 ZINC000008966395 569491745 /nfs/dbraw/zinc/49/17/45/569491745.db2.gz BALDCKYPMAKFCN-UHFFFAOYSA-N 0 0 431.565 5.670 50 0 IKAARN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000008966397 569491800 /nfs/dbraw/zinc/49/18/00/569491800.db2.gz LHUPIKBICMQCIJ-INIZCTEOSA-N 0 0 434.565 5.103 50 0 IKAARN CCOC(=O)N1CCC(C(=O)N(Cc2cccc(F)c2)[C@H](CC)c2ccc(F)cc2)CC1 ZINC000040146393 569492281 /nfs/dbraw/zinc/49/22/81/569492281.db2.gz XGJHTOVAUQVABK-HSZRJFAPSA-N 0 0 444.522 5.313 50 0 IKAARN CC(C)n1ncc2cc(NC(=O)c3[nH]c4ccc(Br)cc4c3Cl)cnc21 ZINC000040149061 569492434 /nfs/dbraw/zinc/49/24/34/569492434.db2.gz GDANKVDNSYMEGT-UHFFFAOYSA-N 0 0 432.709 5.162 50 0 IKAARN OCC[C@H]1CCCCN1c1ccc(CNc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000040149337 569492458 /nfs/dbraw/zinc/49/24/58/569492458.db2.gz WGSWTBNGXARIPZ-HXUWFJFHSA-N 0 0 445.592 5.107 50 0 IKAARN Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccc(Cl)cc3)oc12 ZINC000008972156 569492831 /nfs/dbraw/zinc/49/28/31/569492831.db2.gz WRUHIEIITQIRBJ-UHFFFAOYSA-N 0 0 433.847 5.403 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000040150032 569493104 /nfs/dbraw/zinc/49/31/04/569493104.db2.gz MGXPEBWNFURLRW-XZOQPEGZSA-N 0 0 446.555 5.389 50 0 IKAARN CC(C)n1nc(C(=O)N2CC[C@@H](C)Sc3ccc(Cl)cc32)c2ccccc2c1=O ZINC000040150730 569493249 /nfs/dbraw/zinc/49/32/49/569493249.db2.gz POXPYNJEYWYXCL-CQSZACIVSA-N 0 0 427.957 5.162 50 0 IKAARN O=C(c1ccc(Br)s1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000069107136 569493580 /nfs/dbraw/zinc/49/35/80/569493580.db2.gz FAGPAJITFISPSW-UHFFFAOYSA-N 0 0 438.734 5.019 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1 ZINC000040155330 569493881 /nfs/dbraw/zinc/49/38/81/569493881.db2.gz GCSUHBWBCNGEOR-UHFFFAOYSA-N 0 0 427.298 5.514 50 0 IKAARN CCc1ccccc1NC(=O)CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000040155655 569493933 /nfs/dbraw/zinc/49/39/33/569493933.db2.gz WPRVMMLDESQADG-UHFFFAOYSA-N 0 0 431.414 5.164 50 0 IKAARN Cn1c(COc2ccccc2Cl)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S ZINC000040155477 569493958 /nfs/dbraw/zinc/49/39/58/569493958.db2.gz IBYOHLIBKLQKDG-FQEVSTJZSA-N 0 0 441.000 5.293 50 0 IKAARN CCC(CC)[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1cccs1 ZINC000040157022 569494273 /nfs/dbraw/zinc/49/42/73/569494273.db2.gz QINJBUNPUAYSBH-QHCPKHFHSA-N 0 0 441.618 5.629 50 0 IKAARN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000040157506 569494285 /nfs/dbraw/zinc/49/42/85/569494285.db2.gz HMUQFZLOSDUTFP-UHFFFAOYSA-N 0 0 446.470 5.323 50 0 IKAARN CSCC[C@H](NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1nc2ccccc2[nH]1 ZINC000040157397 569494289 /nfs/dbraw/zinc/49/42/89/569494289.db2.gz DXBFBNIWHCWZPM-FQEVSTJZSA-N 0 0 433.533 5.250 50 0 IKAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000040157329 569494339 /nfs/dbraw/zinc/49/43/39/569494339.db2.gz QWGABZCEQCAYRX-NRFANRHFSA-N 0 0 448.371 5.111 50 0 IKAARN COc1ccc(-c2noc(CCCC(=O)N(c3ccccc3)[C@H](C)c3ccccc3)n2)cc1 ZINC000040157897 569494384 /nfs/dbraw/zinc/49/43/84/569494384.db2.gz QWPKXKRVGIQKCN-HXUWFJFHSA-N 0 0 441.531 5.862 50 0 IKAARN O=C(COc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000008983052 569494584 /nfs/dbraw/zinc/49/45/84/569494584.db2.gz ITQYBALMLKENSN-UHFFFAOYSA-N 0 0 444.512 5.701 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1 ZINC000040159131 569494637 /nfs/dbraw/zinc/49/46/37/569494637.db2.gz JAOJVKSVNWBXAG-INIZCTEOSA-N 0 0 436.512 5.153 50 0 IKAARN CC(=O)Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c21 ZINC000008983445 569494647 /nfs/dbraw/zinc/49/46/47/569494647.db2.gz LIPWAGYVZXSJSZ-UHFFFAOYSA-N 0 0 448.547 6.820 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1 ZINC000040159132 569494652 /nfs/dbraw/zinc/49/46/52/569494652.db2.gz JAOJVKSVNWBXAG-MRXNPFEDSA-N 0 0 436.512 5.153 50 0 IKAARN Cc1ccc(OCCOc2cccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)c2)cc1C ZINC000008983997 569494718 /nfs/dbraw/zinc/49/47/18/569494718.db2.gz CHHYKIUNQXFOOM-UHFFFAOYSA-N 0 0 446.572 5.605 50 0 IKAARN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2C)c1 ZINC000008985485 569494756 /nfs/dbraw/zinc/49/47/56/569494756.db2.gz JFIDJRDLHIYBNY-SFHVURJKSA-N 0 0 428.561 5.577 50 0 IKAARN O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000008984468 569494766 /nfs/dbraw/zinc/49/47/66/569494766.db2.gz ZXXATUVQVXOJBR-HWFUFWNBSA-N 0 0 429.470 5.797 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(Br)ccc1Cl ZINC000008989993 569495019 /nfs/dbraw/zinc/49/50/19/569495019.db2.gz XELVTYPPIDCDKK-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3ccccc3F)ccc2c1=O ZINC000008990192 569495042 /nfs/dbraw/zinc/49/50/42/569495042.db2.gz FLWQPJPSXIRASG-UHFFFAOYSA-N 0 0 449.434 5.059 50 0 IKAARN CSc1cccc(N2C[C@@H](C(=O)Nc3nc4c(ccc5ccccc45)s3)CC2=O)c1 ZINC000040160002 569495078 /nfs/dbraw/zinc/49/50/78/569495078.db2.gz RBLJQWDLOCCKPO-HNNXBMFYSA-N 0 0 433.558 5.163 50 0 IKAARN Cc1noc(C)c1C(=O)NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000040160258 569495082 /nfs/dbraw/zinc/49/50/82/569495082.db2.gz NWMCLTPPTKQCHR-QHCPKHFHSA-N 0 0 435.527 6.002 50 0 IKAARN Cc1oc2cc(OCC(=O)Nc3ccccc3Cl)ccc2c(=O)c1Oc1ccccc1 ZINC000008990944 569495228 /nfs/dbraw/zinc/49/52/28/569495228.db2.gz RCHKRLMLWSMIMB-UHFFFAOYSA-N 0 0 435.863 5.565 50 0 IKAARN CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCc1ccc(OC)c(OC)c1 ZINC000008992793 569495380 /nfs/dbraw/zinc/49/53/80/569495380.db2.gz BJWFYGKTDPEDJJ-UHFFFAOYSA-N 0 0 446.551 5.257 50 0 IKAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000069147138 569495393 /nfs/dbraw/zinc/49/53/93/569495393.db2.gz YCZUWCLURPMJHI-WUKNDPDISA-N 0 0 438.571 5.167 50 0 IKAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1sc2ccccc2c1Cl ZINC000008994510 569495526 /nfs/dbraw/zinc/49/55/26/569495526.db2.gz JDQWEBKQNHKOJL-UHFFFAOYSA-N 0 0 445.253 5.200 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)CC2 ZINC000008994500 569495598 /nfs/dbraw/zinc/49/55/98/569495598.db2.gz JIYRBCZUNPHCQJ-CQSZACIVSA-N 0 0 438.351 5.316 50 0 IKAARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)c2ccc(C)cc2)c1-c1nc2ccccc2[nH]1 ZINC000008995093 569495637 /nfs/dbraw/zinc/49/56/37/569495637.db2.gz KNLJUGAYBLLGDO-HXUWFJFHSA-N 0 0 428.536 5.388 50 0 IKAARN Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c(C)c1 ZINC000008997297 569495925 /nfs/dbraw/zinc/49/59/25/569495925.db2.gz XIMGSYWVNWXMCR-UHFFFAOYSA-N 0 0 431.561 6.195 50 0 IKAARN C[C@@H]1C(=C\n2c3ccccc3c3ccccc32)/C(=C/n2c3ccccc3c3ccccc32)[C@H]1C ZINC000040199523 569496080 /nfs/dbraw/zinc/49/60/80/569496080.db2.gz WJUHNDPIQIUKEY-QCHVJHGQSA-N 0 0 438.574 8.570 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000009008127 569496165 /nfs/dbraw/zinc/49/61/65/569496165.db2.gz KAEZAQFUKSATGV-ISKFKSNPSA-N 0 0 439.342 6.634 50 0 IKAARN CCOC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000009008845 569496245 /nfs/dbraw/zinc/49/62/45/569496245.db2.gz GLASFZRWVXWJTL-UHFFFAOYSA-N 0 0 435.574 5.441 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2F)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000009012701 569496528 /nfs/dbraw/zinc/49/65/28/569496528.db2.gz CTGVKRKYJYEOPJ-UHFFFAOYSA-N 0 0 439.515 6.604 50 0 IKAARN O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000244975124 569496723 /nfs/dbraw/zinc/49/67/23/569496723.db2.gz ICJLCUDXOOLXTF-JOCHJYFZSA-N 0 0 432.010 5.327 50 0 IKAARN CCOCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000009015829 569496758 /nfs/dbraw/zinc/49/67/58/569496758.db2.gz INVWGEJXFPWLIB-UHFFFAOYSA-N 0 0 438.553 5.189 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)C1CCCC1 ZINC000009019439 569496880 /nfs/dbraw/zinc/49/68/80/569496880.db2.gz YXXGIIIVUXNKIL-FIRIVFDPSA-N 0 0 445.606 7.533 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)C1CCCC1 ZINC000009019440 569496897 /nfs/dbraw/zinc/49/68/97/569496897.db2.gz YXXGIIIVUXNKIL-JSOSNVBQSA-N 0 0 445.606 7.533 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009027203 569497047 /nfs/dbraw/zinc/49/70/47/569497047.db2.gz UPFICGUZUKUTDN-UHFFFAOYSA-N 0 0 449.407 5.817 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cc(C)cc(C)c3)CC2=O)cc1 ZINC000040255652 569497083 /nfs/dbraw/zinc/49/70/83/569497083.db2.gz OOIQUEBGGTUJPT-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3ncnc1NC1CCCCC1 ZINC000009034153 569497292 /nfs/dbraw/zinc/49/72/92/569497292.db2.gz XCOWKYCJJOTGNZ-UHFFFAOYSA-N 0 0 444.604 6.502 50 0 IKAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1cccc(C(F)(F)F)c1 ZINC000009036969 569497304 /nfs/dbraw/zinc/49/73/04/569497304.db2.gz CWNZVSBGOKEDEO-UHFFFAOYSA-N 0 0 430.451 5.218 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CN(C(=O)C(C)C)CC2 ZINC000009035844 569497333 /nfs/dbraw/zinc/49/73/33/569497333.db2.gz COEIBVSUSQQNRR-UHFFFAOYSA-N 0 0 437.927 5.096 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000009041767 569497597 /nfs/dbraw/zinc/49/75/97/569497597.db2.gz XSZDHVSPNKKBEJ-XCZPVHLTSA-N 0 0 442.559 6.507 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000009041350 569497601 /nfs/dbraw/zinc/49/76/01/569497601.db2.gz QCMNZZNVOOTKIY-BDYUSTAISA-N 0 0 444.531 5.733 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000009041994 569497679 /nfs/dbraw/zinc/49/76/79/569497679.db2.gz JXASTVOPELZWBD-AHWVRZQESA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OC(=O)OCC(C)C)cc1OC ZINC000009042423 569497790 /nfs/dbraw/zinc/49/77/90/569497790.db2.gz XIJKUFLFQURTFS-UHFFFAOYSA-N 0 0 432.856 5.302 50 0 IKAARN c1sc2nc(-c3ccccn3)nc(N3CCC[C@@H](C4OCCO4)C3)c2c1-c1ccccc1 ZINC000069240053 569497900 /nfs/dbraw/zinc/49/79/00/569497900.db2.gz HGOFUORYSLXYMS-GOSISDBHSA-N 0 0 444.560 5.010 50 0 IKAARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000245171813 569497963 /nfs/dbraw/zinc/49/79/63/569497963.db2.gz XWJSJKYQDCDWFH-UHFFFAOYSA-N 0 0 445.490 5.239 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000009044503 569497979 /nfs/dbraw/zinc/49/79/79/569497979.db2.gz LTTSOKCDENKPEV-SFHVURJKSA-N 0 0 444.354 5.187 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)n1c2ccccc2nc1SCc1ccc(F)cc1 ZINC000009046689 569498364 /nfs/dbraw/zinc/49/83/64/569498364.db2.gz HBWKGXZPMGOLME-HNAYVOBHSA-N 0 0 449.378 6.699 50 0 IKAARN Cc1oc2cc(OCC(=O)N[C@H]3CCCc4ccccc43)ccc2c(=O)c1-c1ccccc1 ZINC000009048458 569498483 /nfs/dbraw/zinc/49/84/83/569498483.db2.gz RLHIGQQXAHRGQX-DEOSSOPVSA-N 0 0 439.511 5.341 50 0 biogenic IKAARN Cc1oc2cc(OCC(=O)Nc3ccc(F)cc3F)ccc2c(=O)c1Oc1ccccc1 ZINC000009047568 569498491 /nfs/dbraw/zinc/49/84/91/569498491.db2.gz YJTMKPKXJLXFFJ-UHFFFAOYSA-N 0 0 437.398 5.189 50 0 IKAARN O=C(Cn1c(COc2ccccc2Cl)nc2ccccc21)Nc1ccccc1Cl ZINC000040300834 569498646 /nfs/dbraw/zinc/49/86/46/569498646.db2.gz ZWAYRFTVTDSTCT-UHFFFAOYSA-N 0 0 426.303 5.561 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2cccc(Br)c2)c(C)c1 ZINC000040306865 569498658 /nfs/dbraw/zinc/49/86/58/569498658.db2.gz LCHAKZFLANJNNX-UHFFFAOYSA-N 0 0 434.337 5.721 50 0 IKAARN CSc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1 ZINC000009052539 569498760 /nfs/dbraw/zinc/49/87/60/569498760.db2.gz YUOCVFPBLJWRFJ-UHFFFAOYSA-N 0 0 446.981 5.139 50 0 IKAARN CCc1ccc(-c2nc(S[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)n[nH]2)cc1 ZINC000009053327 569498803 /nfs/dbraw/zinc/49/88/03/569498803.db2.gz APQGXFOWTKEUNJ-JOCHJYFZSA-N 0 0 444.560 5.515 50 0 IKAARN O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000009053852 569498887 /nfs/dbraw/zinc/49/88/87/569498887.db2.gz CVVGQEXQACIEIU-KRWDZBQOSA-N 0 0 426.973 5.364 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000009054307 569498953 /nfs/dbraw/zinc/49/89/53/569498953.db2.gz QZINUEPRGFBGKC-QPPBQGQZSA-N 0 0 435.568 5.083 50 0 IKAARN CC(=O)c1ccc(OCCCC(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn32)cc1 ZINC000009056273 569498993 /nfs/dbraw/zinc/49/89/93/569498993.db2.gz XETJXRAWAMBMFT-UHFFFAOYSA-N 0 0 427.504 5.310 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009056215 569498994 /nfs/dbraw/zinc/49/89/94/569498994.db2.gz LYHFUGQFEABHHT-INIZCTEOSA-N 0 0 432.574 6.068 50 0 IKAARN CC[C@@H](c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C ZINC000009056358 569499050 /nfs/dbraw/zinc/49/90/50/569499050.db2.gz OYNSRXLWKZWCDD-MBSDFSHPSA-N 0 0 448.636 5.191 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)cc1Cl ZINC000009056750 569499092 /nfs/dbraw/zinc/49/90/92/569499092.db2.gz OWAQBYXPSICMCH-LJQANCHMSA-N 0 0 438.940 5.509 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1CCc1ccccc1 ZINC000009056644 569499114 /nfs/dbraw/zinc/49/91/14/569499114.db2.gz PUVDMQHEZDUZQH-UHFFFAOYSA-N 0 0 444.604 5.042 50 0 IKAARN Cc1sc2nc(CN3CCCC3)nc(Sc3nnc(C4CCCCC4)o3)c2c1C ZINC000009056668 569499118 /nfs/dbraw/zinc/49/91/18/569499118.db2.gz SVWHENILYJQTMU-UHFFFAOYSA-N 0 0 429.615 5.486 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000009057197 569499162 /nfs/dbraw/zinc/49/91/62/569499162.db2.gz USYJKVNHOFDTJT-VDDKRMBASA-N 0 0 426.947 6.777 50 0 IKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4cccc(Cl)c4)sc3nc3c2CCCC3)o1 ZINC000009057609 569499164 /nfs/dbraw/zinc/49/91/64/569499164.db2.gz XGVSYSJXRWDRCX-UHFFFAOYSA-N 0 0 437.952 6.231 50 0 IKAARN Cc1ccccc1OCc1nc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000009057893 569499182 /nfs/dbraw/zinc/49/91/82/569499182.db2.gz KDMUIRQRUBXCIH-UHFFFAOYSA-N 0 0 430.533 5.090 50 0 IKAARN C[C@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2n1Cc1ccccc1 ZINC000009057715 569499228 /nfs/dbraw/zinc/49/92/28/569499228.db2.gz AERIEVYZMIEUNL-INIZCTEOSA-N 0 0 434.337 5.338 50 0 IKAARN OCCCn1c(-c2ccc(Cl)cc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000009060329 569499401 /nfs/dbraw/zinc/49/94/01/569499401.db2.gz BCSNLPZGDNYGKB-UHFFFAOYSA-N 0 0 427.935 6.173 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N(C)CCc1ccccn1)occ3C(C)(C)C ZINC000009060752 569499441 /nfs/dbraw/zinc/49/94/41/569499441.db2.gz RPFWFBANSKPIFO-UHFFFAOYSA-N 0 0 446.547 5.174 50 0 IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccccn4)c(C)c3cc2c1-c1ccccc1 ZINC000009061251 569499621 /nfs/dbraw/zinc/49/96/21/569499621.db2.gz VFLXLLDVOLXLHY-UHFFFAOYSA-N 0 0 438.483 5.789 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000009066243 569499848 /nfs/dbraw/zinc/49/98/48/569499848.db2.gz YLDPJMZMPKQVDV-OFVILXPXSA-N 0 0 446.865 5.828 50 0 IKAARN COc1cc2c(cc1OC)/C(=C/c1ccccc1)OC(c1ccccc1)=C2c1ccccc1 ZINC000009065939 569499897 /nfs/dbraw/zinc/49/98/97/569499897.db2.gz JFRRQEQQRRZZLM-ITYLOYPMSA-N 0 0 432.519 7.149 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000009066322 569499901 /nfs/dbraw/zinc/49/99/01/569499901.db2.gz GTBSEXAUYMTDSM-RQZHXJHFSA-N 0 0 446.572 5.718 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009066597 569499914 /nfs/dbraw/zinc/49/99/14/569499914.db2.gz DXEFUKFKUMSOOP-MGPUTAFESA-N 0 0 433.371 5.339 50 0 IKAARN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000009066553 569499922 /nfs/dbraw/zinc/49/99/22/569499922.db2.gz HTFAVBZNYZHSBJ-STZFKDTASA-N 0 0 433.385 6.463 50 0 IKAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1 ZINC000009068864 569500054 /nfs/dbraw/zinc/50/00/54/569500054.db2.gz IAQXOEDBIGUBBL-XAJMEMKASA-N 0 0 426.516 5.403 50 0 IKAARN CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccc(Cl)cc1 ZINC000009071600 569500091 /nfs/dbraw/zinc/50/00/91/569500091.db2.gz IDNABGRCWNBQKE-UHFFFAOYSA-N 0 0 425.941 5.634 50 0 IKAARN c1ccc(Oc2cccc(Oc3cncc(Oc4cccc(Oc5ccccc5)c4)c3)c2)cc1 ZINC000009075427 569500229 /nfs/dbraw/zinc/50/02/29/569500229.db2.gz RHAGTTUDLUBZLU-UHFFFAOYSA-N 0 0 447.490 8.251 50 0 IKAARN CCCCOc1ccc(-c2nc3sc4c(c3c(SC(C)C)n2)CC(C)(C)OC4)cc1 ZINC000009076284 569500267 /nfs/dbraw/zinc/50/02/67/569500267.db2.gz UGFIHYYRTDZPBJ-UHFFFAOYSA-N 0 0 442.650 6.889 50 0 IKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 ZINC000009076053 569500308 /nfs/dbraw/zinc/50/03/08/569500308.db2.gz PZDRLQDPUDILJD-UHFFFAOYSA-N 0 0 442.515 5.091 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1F ZINC000009076236 569500309 /nfs/dbraw/zinc/50/03/09/569500309.db2.gz STGYRQHAKGNANI-YLJYHZDGSA-N 0 0 447.304 6.031 50 0 IKAARN CSc1nc2sc3c(c2c2nnc(SCCc4ccccc4)n21)CC(C)(C)OC3 ZINC000009076184 569500317 /nfs/dbraw/zinc/50/03/17/569500317.db2.gz TZGNOMXWSRFAAJ-UHFFFAOYSA-N 0 0 442.635 5.247 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000245239175 569500578 /nfs/dbraw/zinc/50/05/78/569500578.db2.gz GDTOKSUCJFPUAV-IHWQAOSHSA-N 0 0 447.579 5.157 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000009085836 569500580 /nfs/dbraw/zinc/50/05/80/569500580.db2.gz SLGJSGHSAKMINS-XRKRLSELSA-N 0 0 440.587 7.231 50 0 IKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(OC(F)F)cc2)N1 ZINC000009086970 569500734 /nfs/dbraw/zinc/50/07/34/569500734.db2.gz CZHNDEWIBYVIKE-OAQYLSRUSA-N 0 0 432.430 5.087 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2N)CCC4)c1 ZINC000009088456 569500807 /nfs/dbraw/zinc/50/08/07/569500807.db2.gz OPNWSXRVGGTBCM-UHFFFAOYSA-N 0 0 449.963 5.949 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000009087421 569500834 /nfs/dbraw/zinc/50/08/34/569500834.db2.gz BXODJYQDWSDBPX-GAJHUEQPSA-N 0 0 442.544 5.379 50 0 IKAARN c1c(-c2ccccc2)n(Cc2ccccc2)c2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000009089482 569500934 /nfs/dbraw/zinc/50/09/34/569500934.db2.gz SMKKAKUZTWTWJV-UHFFFAOYSA-N 0 0 425.535 7.185 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000009089645 569500989 /nfs/dbraw/zinc/50/09/89/569500989.db2.gz WZIPEHCLRABVLE-UHFFFAOYSA-N 0 0 434.517 5.510 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000009090039 569500995 /nfs/dbraw/zinc/50/09/95/569500995.db2.gz NRPXUQNFIIKJER-MZNJEOGPSA-N 0 0 443.478 5.654 50 0 IKAARN Nc1c2c(nn1-c1c(Cl)cc(Cl)cc1Cl)CCCn1c(=O)c3ccccc3nc1-2 ZINC000009090660 569501088 /nfs/dbraw/zinc/50/10/88/569501088.db2.gz HLLLTLWENOIYDY-UHFFFAOYSA-N 0 0 446.725 5.373 50 0 IKAARN CC(C)Cn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccc(Cl)cc2c1=O ZINC000009091495 569501205 /nfs/dbraw/zinc/50/12/05/569501205.db2.gz WUOIOSFZYSZSQG-HOTGVXAUSA-N 0 0 444.000 5.064 50 0 IKAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000009095293 569501345 /nfs/dbraw/zinc/50/13/45/569501345.db2.gz RIQYIAIYLOCGFG-UHFFFAOYSA-N 0 0 433.895 5.241 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000069349083 569501669 /nfs/dbraw/zinc/50/16/69/569501669.db2.gz PJAWHSGCKDLOEF-SFHVURJKSA-N 0 0 427.936 5.429 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)[C@H]1C ZINC000245257922 569501701 /nfs/dbraw/zinc/50/17/01/569501701.db2.gz ICFPYXAOCMIPGD-KEYYUXOJSA-N 0 0 443.410 6.280 50 0 IKAARN O=C(Nc1ccccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101752 569501762 /nfs/dbraw/zinc/50/17/62/569501762.db2.gz QGGOXXXGPNKNKX-UHFFFAOYSA-N 0 0 437.421 5.180 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000069351530 569501835 /nfs/dbraw/zinc/50/18/35/569501835.db2.gz XYJXKXJWAADCFR-BTYIYWSLSA-N 0 0 448.394 5.377 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)cc1)c1cccs1 ZINC000040412546 569502192 /nfs/dbraw/zinc/50/21/92/569502192.db2.gz UXODQVFNLGTFIO-UHFFFAOYSA-N 0 0 427.476 5.111 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)[C@H]1C ZINC000245289597 569502290 /nfs/dbraw/zinc/50/22/90/569502290.db2.gz CYHBOQZJKSXEGD-HMVFOQEQSA-N 0 0 440.996 5.980 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000009111793 569502309 /nfs/dbraw/zinc/50/23/09/569502309.db2.gz MWJKQCCOKDZWOH-UHFFFAOYSA-N 0 0 441.000 5.006 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009111821 569502340 /nfs/dbraw/zinc/50/23/40/569502340.db2.gz HIHIPDZUSHOVBI-HNNXBMFYSA-N 0 0 447.589 5.388 50 0 IKAARN O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000009112224 569502406 /nfs/dbraw/zinc/50/24/06/569502406.db2.gz UJQPAKQYTYVISE-QGZVFWFLSA-N 0 0 441.000 5.406 50 0 IKAARN Cc1c2ccccc2[nH]c1[C@]1(O)c2cc(Br)ccc2N(Cc2ccccc2)C1=O ZINC000009113249 569502498 /nfs/dbraw/zinc/50/24/98/569502498.db2.gz JBCXHZNYTVYPHZ-XMMPIXPASA-N 0 0 447.332 5.022 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 ZINC000009114022 569502572 /nfs/dbraw/zinc/50/25/72/569502572.db2.gz GWSQTMKXKRNSQO-PXDATVDWSA-N 0 0 431.536 5.064 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009114858 569502611 /nfs/dbraw/zinc/50/26/11/569502611.db2.gz NLGGXDGFKXHLMK-UHFFFAOYSA-N 0 0 448.563 5.847 50 0 IKAARN Cc1ccc2c(C[NH2+]CCCc3ccccc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009114849 569502633 /nfs/dbraw/zinc/50/26/33/569502633.db2.gz MDYWHYKPWKCQED-UHFFFAOYSA-N 0 0 430.523 5.558 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)[C@H]1C ZINC000245310761 569502635 /nfs/dbraw/zinc/50/26/35/569502635.db2.gz KMHVMSBBZCFWKU-RAZKUEQHSA-N 0 0 438.568 5.490 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000009114837 569502636 /nfs/dbraw/zinc/50/26/36/569502636.db2.gz BEWDYQBFBANFQQ-UHFFFAOYSA-N 0 0 444.600 6.016 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc(C[S@](=O)Cc3cccc(Cl)c3)o2)cc1 ZINC000009115895 569502847 /nfs/dbraw/zinc/50/28/47/569502847.db2.gz KWIDHKBORZMFMP-LJAQVGFWSA-N 0 0 448.009 5.076 50 0 IKAARN O=C(NCc1ccncc1)c1csc(-c2cccc(OCc3ccccc3Cl)c2)n1 ZINC000040425063 569502851 /nfs/dbraw/zinc/50/28/51/569502851.db2.gz ADEINTVCQDHQQC-UHFFFAOYSA-N 0 0 435.936 5.368 50 0 IKAARN COc1ccccc1CNC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000009116018 569502857 /nfs/dbraw/zinc/50/28/57/569502857.db2.gz HAQGWHLSHZNPGI-UHFFFAOYSA-N 0 0 432.951 5.601 50 0 IKAARN O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NCCc1ccc(Cl)cc1 ZINC000009116114 569502858 /nfs/dbraw/zinc/50/28/58/569502858.db2.gz KDCMEYHFISAUHA-UHFFFAOYSA-N 0 0 434.942 5.774 50 0 IKAARN COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1c(F)cccc1Cl ZINC000040425043 569502895 /nfs/dbraw/zinc/50/28/95/569502895.db2.gz XCEHGIVXZXIGOI-UHFFFAOYSA-N 0 0 446.931 5.426 50 0 IKAARN Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3cccc(F)c3)c1C2 ZINC000009116431 569502966 /nfs/dbraw/zinc/50/29/66/569502966.db2.gz UZQGHHXSJHQQAH-UHFFFAOYSA-N 0 0 445.519 5.467 50 0 IKAARN Cc1csc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)n1 ZINC000009116638 569502989 /nfs/dbraw/zinc/50/29/89/569502989.db2.gz DUMMICOUSUFOCT-UHFFFAOYSA-N 0 0 439.591 5.071 50 0 IKAARN COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2Cl)c1 ZINC000245312284 569503012 /nfs/dbraw/zinc/50/30/12/569503012.db2.gz SUCHSGZXWIRZGF-RUZDIDTESA-N 0 0 441.402 6.409 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5cc(C)cc(C)c5)C4)sc3n2)cc1 ZINC000009117517 569503137 /nfs/dbraw/zinc/50/31/37/569503137.db2.gz XWYNYYPHEOYZBH-FQEVSTJZSA-N 0 0 445.592 5.238 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccsc3)=NN2C(C)=O)cc1 ZINC000069375166 569503477 /nfs/dbraw/zinc/50/34/77/569503477.db2.gz CJMXCOCAKXEJEL-XMMPIXPASA-N 0 0 442.544 5.307 50 0 IKAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000069375056 569503485 /nfs/dbraw/zinc/50/34/85/569503485.db2.gz XODAZWLJDOWKOG-XMMPIXPASA-N 0 0 426.545 5.607 50 0 IKAARN Clc1ccc(Cl)c(-c2ccc(C3=Nn4c(Cc5ccccc5)nnc4SC3)o2)c1 ZINC000009119551 569503520 /nfs/dbraw/zinc/50/35/20/569503520.db2.gz XHDTXCOAITTZTL-UHFFFAOYSA-N 0 0 441.343 5.794 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)C[C@H]1C ZINC000245328714 569503938 /nfs/dbraw/zinc/50/39/38/569503938.db2.gz ORRJXXYATJMFCS-SJORKVTESA-N 0 0 448.970 5.315 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)cc1 ZINC000009122077 569504121 /nfs/dbraw/zinc/50/41/21/569504121.db2.gz GELAIDRTICEJSY-NFBKMPQASA-N 0 0 441.369 5.586 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)[C@H]1C ZINC000245338949 569504135 /nfs/dbraw/zinc/50/41/35/569504135.db2.gz PNSVTVRSXPBUIC-AXJCFSLFSA-N 0 0 440.996 5.980 50 0 IKAARN COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1OC ZINC000009122227 569504163 /nfs/dbraw/zinc/50/41/63/569504163.db2.gz CWZAPYNKHJULQN-DTKKNGCVSA-N 0 0 426.516 5.403 50 0 IKAARN Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n(-c2nc3ccccc3[nH]2)n1 ZINC000009124100 569504270 /nfs/dbraw/zinc/50/42/70/569504270.db2.gz VFHQLTWTXDGQIJ-UHFFFAOYSA-N 0 0 442.331 5.831 50 0 IKAARN CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000009124127 569504290 /nfs/dbraw/zinc/50/42/90/569504290.db2.gz IGGHWTPQZOQCFT-UHFFFAOYSA-N 0 0 430.460 5.330 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000245343019 569504348 /nfs/dbraw/zinc/50/43/48/569504348.db2.gz BVXGXFUNTVZWCJ-RDGATRHJSA-N 0 0 432.545 5.668 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2ccccc2Cl)cc1 ZINC000245343281 569504464 /nfs/dbraw/zinc/50/44/64/569504464.db2.gz KMDUMDDOSHVINV-BVAGGSTKSA-N 0 0 448.950 6.380 50 0 IKAARN C[C@@H]1CSC(N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c2ccc(Cl)cc2)=N1 ZINC000009125580 569504621 /nfs/dbraw/zinc/50/46/21/569504621.db2.gz INAASPQVKXJWMI-FOIQADDNSA-N 0 0 430.957 5.036 50 0 IKAARN C[C@H]1CSC(N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c2ccc(Cl)cc2)=N1 ZINC000009125581 569504629 /nfs/dbraw/zinc/50/46/29/569504629.db2.gz INAASPQVKXJWMI-MGPUTAFESA-N 0 0 430.957 5.036 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)N(C3=N[C@@H](C)CS3)c3ccc(Cl)cc3)o2)cc1 ZINC000009125589 569504719 /nfs/dbraw/zinc/50/47/19/569504719.db2.gz DUDGQNKMCPBVKU-AWEZNQCLSA-N 0 0 438.936 5.941 50 0 IKAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000009125925 569504736 /nfs/dbraw/zinc/50/47/36/569504736.db2.gz JZDDGJVPEPCIJW-UHFFFAOYSA-N 0 0 443.937 5.538 50 0 IKAARN Cc1nc2cc(C(=O)OCC(=O)Nc3ccccc3C(C)C)ccc2n1-c1ccccc1 ZINC000009125848 569504744 /nfs/dbraw/zinc/50/47/44/569504744.db2.gz JALSLKHPPZJWLL-UHFFFAOYSA-N 0 0 427.504 5.253 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(C4CCCCC4)cc3)o2)c(OC)c1 ZINC000009126275 569504881 /nfs/dbraw/zinc/50/48/81/569504881.db2.gz ZEKVXMHUJKRHAJ-UHFFFAOYSA-N 0 0 438.549 5.777 50 0 IKAARN O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1ccccc1Oc1ccccc1 ZINC000009126846 569505038 /nfs/dbraw/zinc/50/50/38/569505038.db2.gz CZKUPPNXRAOGJQ-UHFFFAOYSA-N 0 0 426.501 5.591 50 0 IKAARN COc1ccc2[nH]c(SCc3csc(CC(=O)Nc4cc(C)ccc4C)n3)nc2c1 ZINC000009126799 569505049 /nfs/dbraw/zinc/50/50/49/569505049.db2.gz XFNOGGZDGCQMHR-UHFFFAOYSA-N 0 0 438.578 5.118 50 0 IKAARN COc1cccc(NC(=O)[C@@H](Nc2cccc(-c3csc(C)n3)c2)c2ccccc2)c1 ZINC000009127113 569505079 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IKAARN O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)N1CCc2ccccc2C1 ZINC000069417559 569506173 /nfs/dbraw/zinc/50/61/73/569506173.db2.gz ACHCCXGHSZFSBK-UHFFFAOYSA-N 0 0 428.319 5.178 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000040451101 569506447 /nfs/dbraw/zinc/50/64/47/569506447.db2.gz HNUGXDUKCAJZSM-MHZLTWQESA-N 0 0 444.600 5.738 50 0 IKAARN O=C(Nc1ccc(C2(C(=O)NC[C@@H]3CCCO3)CCCCC2)cc1)c1ccccc1Cl ZINC000040454827 569506484 /nfs/dbraw/zinc/50/64/84/569506484.db2.gz VFMAZLROVGUCKS-FQEVSTJZSA-N 0 0 440.971 5.089 50 0 IKAARN Cc1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000040455560 569506540 /nfs/dbraw/zinc/50/65/40/569506540.db2.gz RNPKGUGQGKGLDG-KRWDZBQOSA-N 0 0 439.968 5.377 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2Br)cc1 ZINC000040485430 569506808 /nfs/dbraw/zinc/50/68/08/569506808.db2.gz DMKTVASFWAEOJQ-QFIPXVFZSA-N 0 0 434.333 5.810 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000040485581 569506831 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5.205 50 0 IKAARN Cc1cc2oc(=O)c(CC(=O)Nc3nccs3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000009133959 569506990 /nfs/dbraw/zinc/50/69/90/569506990.db2.gz PDEICHBLCCPZFT-UHFFFAOYSA-N 0 0 430.485 5.461 50 0 IKAARN COc1cccc2cc(C(=O)N(C[C@H]3CCCO3)c3nc4c(s3)c(C)ccc4C)oc21 ZINC000009133774 569506994 /nfs/dbraw/zinc/50/69/94/569506994.db2.gz APXSNLRMOPPIQL-QGZVFWFLSA-N 0 0 436.533 5.494 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 ZINC000009134799 569507077 /nfs/dbraw/zinc/50/70/77/569507077.db2.gz VOUFFQCSFHNWGF-UHFFFAOYSA-N 0 0 447.347 5.286 50 0 IKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccccc3C(F)(F)F)ccc1O2 ZINC000009135363 569507098 /nfs/dbraw/zinc/50/70/98/569507098.db2.gz MTAGRVWOEBXRKR-UHFFFAOYSA-N 0 0 426.394 5.648 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1OCC ZINC000009134998 569507114 /nfs/dbraw/zinc/50/71/14/569507114.db2.gz WOYAVQIMAHZUTE-UHFFFAOYSA-N 0 0 432.476 5.403 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccccc1C(F)(F)F)CC2 ZINC000009139458 569507194 /nfs/dbraw/zinc/50/71/94/569507194.db2.gz PHBAWKXUEGWABP-OAQYLSRUSA-N 0 0 447.478 5.572 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C ZINC000009144532 569507294 /nfs/dbraw/zinc/50/72/94/569507294.db2.gz WJORALOOUKXSRO-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000009145290 569507380 /nfs/dbraw/zinc/50/73/80/569507380.db2.gz NLRWDTFMLMUZTF-QGZVFWFLSA-N 0 0 432.376 5.042 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000009151303 569507432 /nfs/dbraw/zinc/50/74/32/569507432.db2.gz YRWAWWJNHYFEKD-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(SCc3cccc(C)c3)nc3cccnc32)cc1 ZINC000009151333 569507475 /nfs/dbraw/zinc/50/74/75/569507475.db2.gz DMPPWMPVJNORJD-IBGZPJMESA-N 0 0 444.604 5.609 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000009151205 569507485 /nfs/dbraw/zinc/50/74/85/569507485.db2.gz ZLKKZEWZFBZJAB-KRWDZBQOSA-N 0 0 448.567 5.439 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HNEHOJMJRVNHPE-LLVKDONJSA-N 0 0 428.863 5.215 50 0 IKAARN C[C@@H]1CSC(N(C(=O)CCCc2nc3ccccc3s2)c2ccc(Cl)cc2)=N1 ZINC000009222666 569512765 /nfs/dbraw/zinc/51/27/65/569512765.db2.gz MDABIEPXUPZYKX-CQSZACIVSA-N 0 0 429.998 5.797 50 0 IKAARN O=C(CSc1ncnc2ccccc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009222834 569512865 /nfs/dbraw/zinc/51/28/65/569512865.db2.gz QWDWFQBAONGDDQ-QGZVFWFLSA-N 0 0 436.587 5.223 50 0 IKAARN CCCCn1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1Cl ZINC000009223949 569513074 /nfs/dbraw/zinc/51/30/74/569513074.db2.gz LPAPCQTXEGMPRK-FQEVSTJZSA-N 0 0 435.959 5.235 50 0 IKAARN Cc1nnc2c(Nc3ccc(F)c(Cl)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000009224705 569513207 /nfs/dbraw/zinc/51/32/07/569513207.db2.gz CUDXHTXYLVLRFJ-UHFFFAOYSA-N 0 0 431.858 5.353 50 0 IKAARN CCN(CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1cccc(C)c1 ZINC000009227527 569513428 /nfs/dbraw/zinc/51/34/28/569513428.db2.gz SVSOWYWPQDWUHW-UHFFFAOYSA-N 0 0 434.584 5.004 50 0 IKAARN CC(C)Cn1cc(NC(=O)N(CCCOC(C)C)Cc2ccco2)c2ccccc2c1=O ZINC000009227551 569513435 /nfs/dbraw/zinc/51/34/35/569513435.db2.gz XMFXWIACXGKWIH-UHFFFAOYSA-N 0 0 439.556 5.100 50 0 IKAARN CC(C)Cn1cc(NC(=O)N(Cc2ccco2)[C@H](C)c2ccccc2)c2ccccc2c1=O ZINC000009227586 569513450 /nfs/dbraw/zinc/51/34/50/569513450.db2.gz IZWMALNDRCHIEN-HXUWFJFHSA-N 0 0 443.547 6.046 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(CC)cc3)c21 ZINC000009228170 569513500 /nfs/dbraw/zinc/51/35/00/569513500.db2.gz KRPWJLXNNUMJCO-UHFFFAOYSA-N 0 0 442.563 5.783 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000009228154 569513549 /nfs/dbraw/zinc/51/35/49/569513549.db2.gz IPXVGSFTYBPEGQ-UHFFFAOYSA-N 0 0 428.536 5.611 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(CC)cc3)c21 ZINC000009228167 569513560 /nfs/dbraw/zinc/51/35/60/569513560.db2.gz GLURQIFAKAJJSZ-UHFFFAOYSA-N 0 0 428.536 5.393 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1 ZINC000009229089 569513648 /nfs/dbraw/zinc/51/36/48/569513648.db2.gz SHAGBHGBKVQMGG-UHFFFAOYSA-N 0 0 444.550 5.817 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)c(OC)c1 ZINC000009229097 569513649 /nfs/dbraw/zinc/51/36/49/569513649.db2.gz TVLTUUOFBAJMDJ-UHFFFAOYSA-N 0 0 446.522 5.393 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)cc1OC ZINC000009229102 569513658 /nfs/dbraw/zinc/51/36/58/569513658.db2.gz LQSDZEPCVMWWLD-UHFFFAOYSA-N 0 0 448.950 6.229 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c(OC)c1 ZINC000009229064 569513661 /nfs/dbraw/zinc/51/36/61/569513661.db2.gz OCIFGOANBQAWSS-UHFFFAOYSA-N 0 0 442.559 5.296 50 0 biogenic IKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc12 ZINC000009229082 569513666 /nfs/dbraw/zinc/51/36/66/569513666.db2.gz YNGCSWKNXPFBSU-UHFFFAOYSA-N 0 0 439.534 5.899 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1OC ZINC000009229056 569513682 /nfs/dbraw/zinc/51/36/82/569513682.db2.gz ZDHDSXSXFJWYEH-UHFFFAOYSA-N 0 0 442.559 5.296 50 0 biogenic IKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1 ZINC000009229111 569513731 /nfs/dbraw/zinc/51/37/31/569513731.db2.gz JLAVAISAEMIULF-UHFFFAOYSA-N 0 0 432.951 5.898 50 0 IKAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000009229114 569513740 /nfs/dbraw/zinc/51/37/40/569513740.db2.gz CINHOEFKBSAYNW-UHFFFAOYSA-N 0 0 446.934 5.983 50 0 IKAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C3=O ZINC000009233714 569513901 /nfs/dbraw/zinc/51/39/01/569513901.db2.gz YDQQCDGZVWKUHV-OAQYLSRUSA-N 0 0 430.891 5.204 50 0 IKAARN CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2ccccc2N)c2c(C)oc(C)c21 ZINC000009235158 569514094 /nfs/dbraw/zinc/51/40/94/569514094.db2.gz QFRZLQPPLCHRTF-SGWCAAJKSA-N 0 0 428.488 5.659 50 0 IKAARN CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000009236596 569514167 /nfs/dbraw/zinc/51/41/67/569514167.db2.gz DLMQLCANYAYHLC-VXLYETTFSA-N 0 0 436.360 6.265 50 0 IKAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc43)nc21 ZINC000009242105 569514705 /nfs/dbraw/zinc/51/47/05/569514705.db2.gz UFBTXPNNXDFOEQ-UHFFFAOYSA-N 0 0 439.540 6.090 50 0 IKAARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000009241939 569514711 /nfs/dbraw/zinc/51/47/11/569514711.db2.gz SSPZIQICWOTLCF-UHFFFAOYSA-N 0 0 435.552 6.514 50 0 IKAARN Cc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000009243777 569515004 /nfs/dbraw/zinc/51/50/04/569515004.db2.gz CCTDKNRYPZBPTC-XMMPIXPASA-N 0 0 444.922 5.193 50 0 IKAARN COc1ccc(OCCS[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000009244649 569515086 /nfs/dbraw/zinc/51/50/86/569515086.db2.gz YPDIOYQZJADTRU-CYBMUJFWSA-N 0 0 444.603 5.595 50 0 IKAARN COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000009244577 569515101 /nfs/dbraw/zinc/51/51/01/569515101.db2.gz ZWJSJPVAJLHWRG-UHFFFAOYSA-N 0 0 429.545 5.203 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(C)=O)s3)c3ccccc3n2)cc1OC ZINC000009245099 569515197 /nfs/dbraw/zinc/51/51/97/569515197.db2.gz ZAJHZNNRBJXWRV-UHFFFAOYSA-N 0 0 447.516 5.139 50 0 IKAARN CC(=O)c1cccc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000009245556 569515337 /nfs/dbraw/zinc/51/53/37/569515337.db2.gz VBRJXSNTYUTRDZ-UHFFFAOYSA-N 0 0 433.895 5.110 50 0 IKAARN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(F)cc1F ZINC000009245557 569515354 /nfs/dbraw/zinc/51/53/54/569515354.db2.gz OOKCOOAYZQPXHD-UHFFFAOYSA-N 0 0 427.838 5.186 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1 ZINC000009245691 569515390 /nfs/dbraw/zinc/51/53/90/569515390.db2.gz HCZYAIHQIWKXQR-UHFFFAOYSA-N 0 0 432.545 5.167 50 0 IKAARN Cc1ccc(OCCOc2ccc(C)c(C)c2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000009246283 569515469 /nfs/dbraw/zinc/51/54/69/569515469.db2.gz BOOKLZXQCLAXGB-JJIBRWJFSA-N 0 0 427.500 5.414 50 0 IKAARN CCN(CC)c1ccc2cc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)c(=O)oc2c1 ZINC000009246673 569515473 /nfs/dbraw/zinc/51/54/73/569515473.db2.gz PKXQYVMZRLPGAH-UHFFFAOYSA-N 0 0 433.533 5.323 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1C ZINC000009250100 569515624 /nfs/dbraw/zinc/51/56/24/569515624.db2.gz DOPBJTOWPUVJDC-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000009250075 569515627 /nfs/dbraw/zinc/51/56/27/569515627.db2.gz MJLQPUDWWDJBQS-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009250127 569515644 /nfs/dbraw/zinc/51/56/44/569515644.db2.gz YDKQQASHUGSOCV-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009250063 569515659 /nfs/dbraw/zinc/51/56/59/569515659.db2.gz WXRQFCNHTDANOX-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)c(C)c1 ZINC000009250094 569515669 /nfs/dbraw/zinc/51/56/69/569515669.db2.gz MWWFAOFXLUHKTK-UHFFFAOYSA-N 0 0 447.604 5.915 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000009250249 569515675 /nfs/dbraw/zinc/51/56/75/569515675.db2.gz JCRKLIFKLVEABT-LJQANCHMSA-N 0 0 447.604 5.483 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccccc1 ZINC000009250206 569515694 /nfs/dbraw/zinc/51/56/94/569515694.db2.gz KYQQIYIVKYNJFN-UHFFFAOYSA-N 0 0 435.549 5.080 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009250185 569515723 /nfs/dbraw/zinc/51/57/23/569515723.db2.gz MMZWYWOLIIISHW-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251097 569515770 /nfs/dbraw/zinc/51/57/70/569515770.db2.gz ZYEPEDXWHIDADH-CQSZACIVSA-N 0 0 444.398 6.063 50 0 IKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(Br)cc3)s2)c1C ZINC000009250789 569515775 /nfs/dbraw/zinc/51/57/75/569515775.db2.gz QNLWXFQFJHXWOD-UHFFFAOYSA-N 0 0 447.402 5.611 50 0 IKAARN CCOc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)C=CC(C)(C)O4)cc1OCC ZINC000009251053 569515787 /nfs/dbraw/zinc/51/57/87/569515787.db2.gz QEOYWCFVSFJTIF-UHFFFAOYSA-N 0 0 449.547 5.695 50 0 IKAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251344 569515800 /nfs/dbraw/zinc/51/58/00/569515800.db2.gz DLJJMNZVRBHHPH-UHFFFAOYSA-N 0 0 431.532 6.587 50 0 biogenic IKAARN CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2cccc(Br)c2)s1 ZINC000009251167 569515838 /nfs/dbraw/zinc/51/58/38/569515838.db2.gz MUPTVIFDCYUQAN-UHFFFAOYSA-N 0 0 426.384 5.063 50 0 IKAARN Cc1c(C(=O)NC[C@@H](C)c2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251349 569515816 /nfs/dbraw/zinc/51/58/16/569515816.db2.gz QUALNDADVAVQAQ-QGZVFWFLSA-N 0 0 431.532 5.943 50 0 biogenic IKAARN CCc1cccc(C)c1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 ZINC000009251346 569515817 /nfs/dbraw/zinc/51/58/17/569515817.db2.gz IMAWKEOCEQKTGD-UHFFFAOYSA-N 0 0 431.532 6.532 50 0 biogenic IKAARN CCOC(=O)c1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251112 569515830 /nfs/dbraw/zinc/51/58/30/569515830.db2.gz KPNWGHAVIIYAFB-INIZCTEOSA-N 0 0 437.565 5.477 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCCCCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000009251299 569515844 /nfs/dbraw/zinc/51/58/44/569515844.db2.gz OAJFBBFBVWWQRZ-UHFFFAOYSA-N 0 0 447.466 5.495 50 0 IKAARN COc1cc(OC)c(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)cc1Cl ZINC000009251131 569515846 /nfs/dbraw/zinc/51/58/46/569515846.db2.gz JGJOANXEVQFXSF-UHFFFAOYSA-N 0 0 445.972 5.410 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000009251362 569515849 /nfs/dbraw/zinc/51/58/49/569515849.db2.gz VMUKLCIAAQLKSO-UHFFFAOYSA-N 0 0 437.923 6.561 50 0 biogenic IKAARN COc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCC(C)CC1)O3 ZINC000009251373 569515854 /nfs/dbraw/zinc/51/58/54/569515854.db2.gz OJALUDZTWIYTPK-UHFFFAOYSA-N 0 0 433.504 5.916 50 0 biogenic IKAARN Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000009251361 569515864 /nfs/dbraw/zinc/51/58/64/569515864.db2.gz RCGWIEXNCWUBQK-UHFFFAOYSA-N 0 0 437.923 6.561 50 0 biogenic IKAARN Cc1c(C(=O)Nc2cccc(C)c2C)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000009251365 569515880 /nfs/dbraw/zinc/51/58/80/569515880.db2.gz PQOJMJBVYSSWCH-UHFFFAOYSA-N 0 0 431.532 6.524 50 0 biogenic IKAARN CCOC(=O)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)cc1 ZINC000009251383 569515881 /nfs/dbraw/zinc/51/58/81/569515881.db2.gz VQZQPOYKHNFWBN-UHFFFAOYSA-N 0 0 447.487 5.448 50 0 biogenic IKAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N(c1ccccc1)C1CCCCC1 ZINC000009252382 569515982 /nfs/dbraw/zinc/51/59/82/569515982.db2.gz LNISTBKHHVWXGU-UHFFFAOYSA-N 0 0 433.581 5.133 50 0 IKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000009252159 569515999 /nfs/dbraw/zinc/51/59/99/569515999.db2.gz KLAXLLJIHDUYEL-UHFFFAOYSA-N 0 0 449.579 6.827 50 0 IKAARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000009253390 569516201 /nfs/dbraw/zinc/51/62/01/569516201.db2.gz SILZAXBOPIHALB-UHFFFAOYSA-N 0 0 437.810 5.234 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc3c(s1)CCC3)CC2 ZINC000009254259 569516313 /nfs/dbraw/zinc/51/63/13/569516313.db2.gz WGIMIPNPTKYIFD-JOCHJYFZSA-N 0 0 425.575 5.103 50 0 IKAARN CCc1ccc(-c2nc(SCc3nnc(-c4ccc(Br)cc4)o3)n[nH]2)cc1 ZINC000009254317 569516340 /nfs/dbraw/zinc/51/63/40/569516340.db2.gz GXCQIWHPIFKMAX-UHFFFAOYSA-N 0 0 442.342 5.139 50 0 IKAARN O=C(c1ccc(-c2ccccc2F)o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000009255228 569516510 /nfs/dbraw/zinc/51/65/10/569516510.db2.gz JGMFWMFRDRHEAB-UHFFFAOYSA-N 0 0 437.858 5.594 50 0 IKAARN C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 ZINC000009255904 569516637 /nfs/dbraw/zinc/51/66/37/569516637.db2.gz GJJNBLQNERHVDB-JTQLQIEISA-N 0 0 438.734 5.272 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000009255866 569516649 /nfs/dbraw/zinc/51/66/49/569516649.db2.gz MPWMCFBVGPFGSU-CYBMUJFWSA-N 0 0 436.562 5.267 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 ZINC000009255951 569516651 /nfs/dbraw/zinc/51/66/51/569516651.db2.gz NKWSOVXEXFBIRP-UHFFFAOYSA-N 0 0 426.538 5.633 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009255698 569516659 /nfs/dbraw/zinc/51/66/59/569516659.db2.gz FRSYHGFBAYVBGA-UHFFFAOYSA-N 0 0 438.483 5.045 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 ZINC000009255905 569516678 /nfs/dbraw/zinc/51/66/78/569516678.db2.gz GJJNBLQNERHVDB-SNVBAGLBSA-N 0 0 438.734 5.272 50 0 IKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2cccs2)o1 ZINC000009256807 569516787 /nfs/dbraw/zinc/51/67/87/569516787.db2.gz HYUNKELBVUUNAF-GHMZBOCLSA-N 0 0 430.580 5.888 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000009266872 569517446 /nfs/dbraw/zinc/51/74/46/569517446.db2.gz DFPIHCKTZHQFLR-UHFFFAOYSA-N 0 0 434.902 5.960 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccnc3)nc2c(C)c1 ZINC000009267150 569517526 /nfs/dbraw/zinc/51/75/26/569517526.db2.gz ZOCUZXZWQZWRLS-OAQYLSRUSA-N 0 0 439.496 5.164 50 0 IKAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N(Cc1cccs1)C1CCCC1 ZINC000009269243 569517571 /nfs/dbraw/zinc/51/75/71/569517571.db2.gz FDJSPUAQPYCQAH-UHFFFAOYSA-N 0 0 446.594 5.162 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccccc4Cl)c12)CCC3 ZINC000009271773 569517863 /nfs/dbraw/zinc/51/78/63/569517863.db2.gz AKWWNCWMIWSCHS-UHFFFAOYSA-N 0 0 437.927 6.079 50 0 IKAARN CCc1cc(OCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)ccc1Cl ZINC000009272421 569517914 /nfs/dbraw/zinc/51/79/14/569517914.db2.gz STTLDWAXDYDUAP-UHFFFAOYSA-N 0 0 434.923 5.367 50 0 IKAARN COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000009272295 569517949 /nfs/dbraw/zinc/51/79/49/569517949.db2.gz IUUXCRHNLRJGFJ-UHFFFAOYSA-N 0 0 440.543 5.681 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)cc1OC ZINC000009272671 569517989 /nfs/dbraw/zinc/51/79/89/569517989.db2.gz VIFVCDFBLLZMRR-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c1C ZINC000009274150 569518166 /nfs/dbraw/zinc/51/81/66/569518166.db2.gz FLVCLPURQSJUJR-YNJPUODISA-N 0 0 436.596 5.282 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccc(C)cc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274768 569518227 /nfs/dbraw/zinc/51/82/27/569518227.db2.gz MPKWINMUYDNPGF-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc2c(C[NH2+]CCC3=CCCCC3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274794 569518239 /nfs/dbraw/zinc/51/82/39/569518239.db2.gz SKSKMSVFRLHJPU-UHFFFAOYSA-N 0 0 436.527 5.516 50 0 IKAARN COc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000009274865 569518259 /nfs/dbraw/zinc/51/82/59/569518259.db2.gz FSJDLCGHORDYNP-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN Cc1ccc2c(C[NH2+]CCc3ccccc3C)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009274884 569518262 /nfs/dbraw/zinc/51/82/62/569518262.db2.gz ASBZDYMCWHZVRP-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009274977 569518269 /nfs/dbraw/zinc/51/82/69/569518269.db2.gz LFHJHOFKJIAXOV-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccccc1F)c(C(=O)[O-])c2C[NH2+]Cc1cccc(Cl)c1 ZINC000009274852 569518277 /nfs/dbraw/zinc/51/82/77/569518277.db2.gz DKZIKHGFYPBTSK-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCC3=CCCCC3)c2C(=O)[O-])cc1 ZINC000009274970 569518281 /nfs/dbraw/zinc/51/82/81/569518281.db2.gz GLQWIMHHSLBPGO-UHFFFAOYSA-N 0 0 432.564 5.685 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3F)c2C(=O)[O-])c1 ZINC000009274867 569518284 /nfs/dbraw/zinc/51/82/84/569518284.db2.gz LABKVAXNUVTXBH-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3cccc(C)c3)c2C(=O)[O-])cc1 ZINC000009274951 569518333 /nfs/dbraw/zinc/51/83/33/569518333.db2.gz QKXSHVYEBCZZHH-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccccc1F)c(C(=O)[O-])c2C[NH2+]Cc1ccccc1Cl ZINC000009274855 569518335 /nfs/dbraw/zinc/51/83/35/569518335.db2.gz KRVOVPQWPCOAKM-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccc(Cl)c1 ZINC000009277579 569518478 /nfs/dbraw/zinc/51/84/78/569518478.db2.gz KJSSJXBGXNLPFT-UHFFFAOYSA-N 0 0 446.359 5.702 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN=C1SCc1c(F)cccc1Cl ZINC000009277434 569518490 /nfs/dbraw/zinc/51/84/90/569518490.db2.gz FJBXZCMWABFPKG-UHFFFAOYSA-N 0 0 441.355 5.422 50 0 IKAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000009277461 569518505 /nfs/dbraw/zinc/51/85/05/569518505.db2.gz SNRYBZHVQYGDGC-UHFFFAOYSA-N 0 0 428.557 5.673 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c(Cl)c1 ZINC000009281161 569518535 /nfs/dbraw/zinc/51/85/35/569518535.db2.gz YFVDRWSYNVHUJT-CVDCTZTESA-N 0 0 439.298 5.964 50 0 IKAARN c1csc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)c1 ZINC000009281034 569518537 /nfs/dbraw/zinc/51/85/37/569518537.db2.gz LYKUJNBACUZJCG-OAQYLSRUSA-N 0 0 432.508 6.292 50 0 IKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000009281555 569518594 /nfs/dbraw/zinc/51/85/94/569518594.db2.gz PQZBOLAUUSVQIX-LVXARBLLSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000009281554 569518599 /nfs/dbraw/zinc/51/85/99/569518599.db2.gz PQZBOLAUUSVQIX-HFZDXXHNSA-N 0 0 430.504 5.345 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1Cl)O2 ZINC000009281716 569518623 /nfs/dbraw/zinc/51/86/23/569518623.db2.gz DGMWSJJKDLUBRZ-WMZHIEFXSA-N 0 0 439.298 5.964 50 0 IKAARN c1ccc([C@H]2c3c4nc(-c5cccnc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000009282113 569518678 /nfs/dbraw/zinc/51/86/78/569518678.db2.gz IIVCNWHGZWASCQ-JOCHJYFZSA-N 0 0 427.467 5.625 50 0 IKAARN CCCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009282757 569518701 /nfs/dbraw/zinc/51/87/01/569518701.db2.gz ZBERHHTURYNCLF-UHFFFAOYSA-N 0 0 430.643 6.148 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009282765 569518712 /nfs/dbraw/zinc/51/87/12/569518712.db2.gz CELCRSFJMUCOPG-NRFANRHFSA-N 0 0 448.931 5.622 50 0 IKAARN Cc1cc(C(=O)CSc2ccccc2F)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009282859 569518729 /nfs/dbraw/zinc/51/87/29/569518729.db2.gz FDARVTYKUGKVHY-UHFFFAOYSA-N 0 0 449.551 5.006 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009282764 569518741 /nfs/dbraw/zinc/51/87/41/569518741.db2.gz CELCRSFJMUCOPG-OAQYLSRUSA-N 0 0 448.931 5.622 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000009282682 569518751 /nfs/dbraw/zinc/51/87/51/569518751.db2.gz JVUZEWLZNGJSAM-HSZRJFAPSA-N 0 0 444.918 6.023 50 0 IKAARN CSc1ccccc1NC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC)cc1 ZINC000009283010 569518794 /nfs/dbraw/zinc/51/87/94/569518794.db2.gz MUTFTPRFPBXKLM-UHFFFAOYSA-N 0 0 438.578 6.418 50 0 IKAARN C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000009283334 569518836 /nfs/dbraw/zinc/51/88/36/569518836.db2.gz LSQYUANLXXIJGM-NSHDSACASA-N 0 0 439.393 5.576 50 0 IKAARN Cc1c(Cl)cccc1-n1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccncc1 ZINC000009283513 569518894 /nfs/dbraw/zinc/51/88/94/569518894.db2.gz ZQDVXCALDDCTTF-UHFFFAOYSA-N 0 0 449.967 5.046 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 ZINC000009283920 569518943 /nfs/dbraw/zinc/51/89/43/569518943.db2.gz QFXRHNQFZWMVFL-UHFFFAOYSA-N 0 0 438.593 5.463 50 0 IKAARN O=C(OCc1csc(-c2ccccc2)n1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009283853 569518970 /nfs/dbraw/zinc/51/89/70/569518970.db2.gz VLKJXCHMUYTZLH-UHFFFAOYSA-N 0 0 440.952 5.059 50 0 IKAARN Cc1ccc2nc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc(=O)n2c1 ZINC000009284195 569519029 /nfs/dbraw/zinc/51/90/29/569519029.db2.gz DBPXKQPUHWRVLI-UHFFFAOYSA-N 0 0 425.513 5.617 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C ZINC000009284698 569519145 /nfs/dbraw/zinc/51/91/45/569519145.db2.gz UGARBTHSOPWDNM-UHFFFAOYSA-N 0 0 448.548 5.017 50 0 IKAARN Cc1ccc(Sc2c3ccccc3[nH]c2C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000009288080 569519308 /nfs/dbraw/zinc/51/93/08/569519308.db2.gz TYCATIXONLDBAP-UHFFFAOYSA-N 0 0 430.573 6.345 50 0 IKAARN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000009288183 569519371 /nfs/dbraw/zinc/51/93/71/569519371.db2.gz ZLLZGJHWGAKFDJ-HSZRJFAPSA-N 0 0 449.432 5.371 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N1CCC3(CC1)OCCO3)c2Sc1ccc(Cl)cc1 ZINC000009288207 569519396 /nfs/dbraw/zinc/51/93/96/569519396.db2.gz KXTIBMCMUCZTNW-UHFFFAOYSA-N 0 0 442.968 5.260 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@@H](C)CCc1ccccc1)c2Sc1ccc(C)cc1 ZINC000009288472 569519410 /nfs/dbraw/zinc/51/94/10/569519410.db2.gz MBHPXRNUIYWGOB-IBGZPJMESA-N 0 0 444.600 6.387 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@@H]1CCCc3ccccc31)c2Sc1ccc(C)cc1 ZINC000009288457 569519426 /nfs/dbraw/zinc/51/94/26/569519426.db2.gz YELMKLUVTNHJKY-HSZRJFAPSA-N 0 0 442.584 6.444 50 0 IKAARN CCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccc(C)cc2)cc1 ZINC000009288507 569519454 /nfs/dbraw/zinc/51/94/54/569519454.db2.gz HOQZPTVDHFIDBP-UHFFFAOYSA-N 0 0 446.572 5.965 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000009289210 569519551 /nfs/dbraw/zinc/51/95/51/569519551.db2.gz PXQFMOZRTJSVKA-MHZLTWQESA-N 0 0 437.543 5.486 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1Cl ZINC000009289220 569519563 /nfs/dbraw/zinc/51/95/63/569519563.db2.gz BZNDVTGNUWOXLN-RUZDIDTESA-N 0 0 443.934 5.324 50 0 IKAARN CC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289282 569519588 /nfs/dbraw/zinc/51/95/88/569519588.db2.gz VDKUDQKNPRZPQN-UZLBHIALSA-N 0 0 433.577 5.008 50 0 IKAARN Clc1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 ZINC000009290913 569519835 /nfs/dbraw/zinc/51/98/35/569519835.db2.gz MOVQQQYSHFCABJ-PZJWPPBQSA-N 0 0 438.756 6.599 50 0 IKAARN CC(C)Sc1nc2sc3c(c2c2nnc(SCCc4ccccc4)n21)CCCC3 ZINC000009292213 569519983 /nfs/dbraw/zinc/51/99/83/569519983.db2.gz VYAAZYRSCDCTPT-UHFFFAOYSA-N 0 0 440.663 6.053 50 0 IKAARN CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 ZINC000009292271 569520027 /nfs/dbraw/zinc/52/00/27/569520027.db2.gz OLTVZUDKSIEUPR-UNMCSNQZSA-N 0 0 438.358 6.888 50 0 IKAARN COc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccccc2)cc1 ZINC000009296416 569520446 /nfs/dbraw/zinc/52/04/46/569520446.db2.gz ZWVAOWQFJKHNSF-UHFFFAOYSA-N 0 0 447.545 5.347 50 0 IKAARN CCn1cc2nc(SCc3c(F)cccc3Cl)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000009299806 569520602 /nfs/dbraw/zinc/52/06/02/569520602.db2.gz JHMWWVBJKUWOFK-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN Clc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000009301805 569520772 /nfs/dbraw/zinc/52/07/72/569520772.db2.gz AMGADLQGZRNVQK-LZJROTJSSA-N 0 0 433.382 7.794 50 0 IKAARN CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000009302553 569520827 /nfs/dbraw/zinc/52/08/27/569520827.db2.gz PKZFELQKACRVCX-UHFFFAOYSA-N 0 0 443.886 6.674 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)c(C)c4)=NN32)cc(OC)c1OC ZINC000009303392 569521030 /nfs/dbraw/zinc/52/10/30/569521030.db2.gz USRLRTYQDYXFBT-WXVAWEFUSA-N 0 0 444.531 5.572 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)sc1C ZINC000009304811 569521162 /nfs/dbraw/zinc/52/11/62/569521162.db2.gz HLQGQBVVSRRRCE-SFHVURJKSA-N 0 0 440.883 5.409 50 0 IKAARN CC1=NN(c2nc(-c3cccc(Br)c3)cs2)[C@H](c2ccc(Cl)cc2)C1 ZINC000009305038 569521216 /nfs/dbraw/zinc/52/12/16/569521216.db2.gz JPNOYBBAHPFMPJ-SFHVURJKSA-N 0 0 432.774 6.553 50 0 IKAARN CN(C)C(=O)Oc1cc(OCc2ccccc2F)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000009305700 569521305 /nfs/dbraw/zinc/52/13/05/569521305.db2.gz BNTLDTCOJASORX-UHFFFAOYSA-N 0 0 433.435 5.239 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(NCc2ccccn2)n1)CCC4 ZINC000009307062 569521327 /nfs/dbraw/zinc/52/13/27/569521327.db2.gz QEXCMCYAQHKHQX-UHFFFAOYSA-N 0 0 445.573 5.717 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000009307528 569521375 /nfs/dbraw/zinc/52/13/75/569521375.db2.gz RUHDAXPUAHHMLC-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1c([C@@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000009307080 569521380 /nfs/dbraw/zinc/52/13/80/569521380.db2.gz OCNHOKFBEGVRGQ-LSYYVWMOSA-N 0 0 436.599 6.558 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)cc1 ZINC000009307624 569521388 /nfs/dbraw/zinc/52/13/88/569521388.db2.gz OVYOLPOSRBTYCT-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN CCC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccccc1F ZINC000009307430 569521398 /nfs/dbraw/zinc/52/13/98/569521398.db2.gz DIPNBGIIEFXQJK-AREMUKBSSA-N 0 0 446.006 6.426 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Br)cc2)n1 ZINC000009310060 569521721 /nfs/dbraw/zinc/52/17/21/569521721.db2.gz CFCMDXKFIZMRSU-UHFFFAOYSA-N 0 0 428.639 6.322 50 0 IKAARN CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308802 569521525 /nfs/dbraw/zinc/52/15/25/569521525.db2.gz XYWBWHPBOCBHCB-VWNXMTODSA-N 0 0 446.392 7.069 50 0 IKAARN Cc1nc2[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2cc1Br ZINC000009308476 569521544 /nfs/dbraw/zinc/52/15/44/569521544.db2.gz GILGMTPPHWIEMD-UHFFFAOYSA-N 0 0 446.157 5.066 50 0 IKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2Nc2ccc(C)c(C)c2)c1-c1ccccc1 ZINC000009309596 569521604 /nfs/dbraw/zinc/52/16/04/569521604.db2.gz UVVVCSPWPXQLJT-UHFFFAOYSA-N 0 0 432.571 6.964 50 0 IKAARN CCCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009309117 569521611 /nfs/dbraw/zinc/52/16/11/569521611.db2.gz GJXILYZPCGWGAI-UHFFFAOYSA-N 0 0 444.670 6.223 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000009309745 569521641 /nfs/dbraw/zinc/52/16/41/569521641.db2.gz BOWAQFPAENVRHX-FQEVSTJZSA-N 0 0 437.282 5.240 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000009309788 569521670 /nfs/dbraw/zinc/52/16/70/569521670.db2.gz CLGLAHGFJQRIDE-FGZHOGPDSA-N 0 0 448.313 5.193 50 0 IKAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(Cl)cc1 ZINC000009310495 569521747 /nfs/dbraw/zinc/52/17/47/569521747.db2.gz AKKKNEBTCRBBQY-UHFFFAOYSA-N 0 0 425.941 6.009 50 0 IKAARN CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1nc2cc(Cl)ccc2s1 ZINC000069869954 569522093 /nfs/dbraw/zinc/52/20/93/569522093.db2.gz CMXZKDIMIKTOKF-UHFFFAOYSA-N 0 0 429.954 5.749 50 0 IKAARN CN1CCN(c2nc3ccc(OC(=O)c4sc5ccccc5c4Cl)cc3s2)CC1 ZINC000009316233 569522235 /nfs/dbraw/zinc/52/22/35/569522235.db2.gz CUGXXMUORYZBHS-UHFFFAOYSA-N 0 0 443.981 5.135 50 0 IKAARN Cc1cc2oc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc(=O)c2cc1Cl ZINC000009317384 569522327 /nfs/dbraw/zinc/52/23/27/569522327.db2.gz GZVDSUDHDLYMCQ-UHFFFAOYSA-N 0 0 443.937 5.151 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C ZINC000009318175 569522395 /nfs/dbraw/zinc/52/23/95/569522395.db2.gz HDTOBSASKNINQN-UHFFFAOYSA-N 0 0 436.558 5.166 50 0 IKAARN COc1ccc(NC(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000009324061 569522696 /nfs/dbraw/zinc/52/26/96/569522696.db2.gz JDXATOKTFWHCSS-UHFFFAOYSA-N 0 0 440.472 5.502 50 0 IKAARN CC(=O)c1sc(-c2ccc(OCC(=O)Nc3ccc(N4CCCCC4)cc3)cc2)nc1C ZINC000009322251 569522604 /nfs/dbraw/zinc/52/26/04/569522604.db2.gz AKMWYWKBMXWQDS-UHFFFAOYSA-N 0 0 449.576 5.329 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)n1c2ccccc2nc1SCc1ccccc1 ZINC000009327372 569522669 /nfs/dbraw/zinc/52/26/69/569522669.db2.gz MYFPQEMJWCZPNS-HNAYVOBHSA-N 0 0 431.388 6.560 50 0 IKAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)cc1C ZINC000009324557 569522675 /nfs/dbraw/zinc/52/26/75/569522675.db2.gz QSYCHOVTUVVDDA-UHFFFAOYSA-N 0 0 432.958 5.427 50 0 IKAARN COc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000009327837 569522728 /nfs/dbraw/zinc/52/27/28/569522728.db2.gz JPVQNGMHRVHPLB-UHFFFAOYSA-N 0 0 448.906 5.128 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1cccs1 ZINC000009327906 569522732 /nfs/dbraw/zinc/52/27/32/569522732.db2.gz AVJSRIJUEKBQEK-UHFFFAOYSA-N 0 0 428.435 5.538 50 0 IKAARN CCn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(OC)cc1 ZINC000009327818 569522750 /nfs/dbraw/zinc/52/27/50/569522750.db2.gz UQEJVIPCZJBHOO-UHFFFAOYSA-N 0 0 432.907 5.603 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)n1c2ccccc2nc1SCc1ccccc1 ZINC000009327374 569522752 /nfs/dbraw/zinc/52/27/52/569522752.db2.gz MYFPQEMJWCZPNS-KXBFYZLASA-N 0 0 431.388 6.560 50 0 IKAARN O=C(Nc1oc2ccccc2c(=O)c1-c1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000009327689 569522761 /nfs/dbraw/zinc/52/27/61/569522761.db2.gz CEGINPRPZZFCNN-UHFFFAOYSA-N 0 0 425.871 6.519 50 0 IKAARN Cc1ccc([C@H](c2ccc(C)cc2)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)o1 ZINC000009327474 569522776 /nfs/dbraw/zinc/52/27/76/569522776.db2.gz DXJDCUUOVWECFO-AREMUKBSSA-N 0 0 431.557 6.186 50 0 IKAARN Cc1cccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009327894 569522778 /nfs/dbraw/zinc/52/27/78/569522778.db2.gz AYAXJDFUBAGYON-UHFFFAOYSA-N 0 0 437.326 6.073 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc21)c1ccccc1F ZINC000009328062 569522806 /nfs/dbraw/zinc/52/28/06/569522806.db2.gz JWYONEFRKVOWOQ-UHFFFAOYSA-N 0 0 425.484 6.473 50 0 IKAARN COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc(C)c2)cc1OC ZINC000009327980 569522810 /nfs/dbraw/zinc/52/28/10/569522810.db2.gz QQJVANBGKSAVQU-UHFFFAOYSA-N 0 0 431.513 5.506 50 0 IKAARN COc1ccc(N[C@]2(c3ccccc3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009335052 569523285 /nfs/dbraw/zinc/52/32/85/569523285.db2.gz CMLVNNGIURTVKP-NDEPHWFRSA-N 0 0 436.511 5.677 50 0 IKAARN C[C@@H]1C[C@H](Sc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc43)o2)C(=O)O1 ZINC000009336621 569523440 /nfs/dbraw/zinc/52/34/40/569523440.db2.gz JVYSRNRPBBQUBS-BLVKFPJESA-N 0 0 437.908 5.401 50 0 IKAARN O=C1c2ccccc2N[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1C1CC1 ZINC000009339193 569523697 /nfs/dbraw/zinc/52/36/97/569523697.db2.gz WLZVRVHFHFKFCO-DEOSSOPVSA-N 0 0 426.545 5.389 50 0 IKAARN CC1=C(CC(=O)Nc2ccc(C)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000009341776 569523919 /nfs/dbraw/zinc/52/39/19/569523919.db2.gz VVIANGXMUNAWNB-WNUOTAKCSA-N 0 0 445.559 6.228 50 0 IKAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009345182 569524047 /nfs/dbraw/zinc/52/40/47/569524047.db2.gz AQHOKBCSULPWSS-HSZRJFAPSA-N 0 0 445.902 5.243 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2SCC(=O)Nc2cccc(C)c2)c1-c1ccccc1 ZINC000009345142 569524095 /nfs/dbraw/zinc/52/40/95/569524095.db2.gz QWEKGRJECRCYLZ-UHFFFAOYSA-N 0 0 444.604 6.041 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000009345299 569524104 /nfs/dbraw/zinc/52/41/04/569524104.db2.gz KZQJCJGEEUZWJX-UHFFFAOYSA-N 0 0 437.956 5.323 50 0 IKAARN Cc1ccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc2c1C ZINC000009345468 569524137 /nfs/dbraw/zinc/52/41/37/569524137.db2.gz FCFGIDIFJQALOZ-UHFFFAOYSA-N 0 0 426.394 5.244 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2Cl)cc1 ZINC000009345734 569524148 /nfs/dbraw/zinc/52/41/48/569524148.db2.gz PBLKKJRGFGJZAM-UHFFFAOYSA-N 0 0 448.950 5.893 50 0 IKAARN C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000009346461 569524265 /nfs/dbraw/zinc/52/42/65/569524265.db2.gz YNRKYFUNPRGPSW-HNNXBMFYSA-N 0 0 432.998 5.551 50 0 IKAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)c1 ZINC000009347262 569524271 /nfs/dbraw/zinc/52/42/71/569524271.db2.gz JZAHGBLJZWJVOU-UHFFFAOYSA-N 0 0 425.557 6.155 50 0 IKAARN Cc1nn2c(nc(C)cc2SCC(=O)Nc2cccc(C)c2)c1-c1ccc(Cl)cc1 ZINC000009346476 569524290 /nfs/dbraw/zinc/52/42/90/569524290.db2.gz RQWWIHTXGNVRNT-UHFFFAOYSA-N 0 0 436.968 5.706 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000009348212 569524467 /nfs/dbraw/zinc/52/44/67/569524467.db2.gz XCJOEXOXKGSCPR-UHFFFAOYSA-N 0 0 434.135 6.463 50 0 IKAARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Br)cc1)c1ccco1 ZINC000009348821 569524542 /nfs/dbraw/zinc/52/45/42/569524542.db2.gz KHQLTQXYJNDAJV-UHFFFAOYSA-N 0 0 444.668 5.721 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000009348959 569524652 /nfs/dbraw/zinc/52/46/52/569524652.db2.gz HKHWZECEUFOPFX-RCZVLFRGSA-N 0 0 441.587 5.952 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)n1 ZINC000009349312 569524740 /nfs/dbraw/zinc/52/47/40/569524740.db2.gz QPKWMDRTTWVNFN-QFIPXVFZSA-N 0 0 445.592 5.389 50 0 IKAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nccn2-c2cccc(F)c2)cs1 ZINC000009350334 569524779 /nfs/dbraw/zinc/52/47/79/569524779.db2.gz LGDBHBVCHUBVLV-UHFFFAOYSA-N 0 0 438.553 5.250 50 0 IKAARN COc1ccc(N[C@@]2(c3ccccc3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009353342 569524922 /nfs/dbraw/zinc/52/49/22/569524922.db2.gz CMLVNNGIURTVKP-MUUNZHRXSA-N 0 0 436.511 5.677 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cccc2ccccc21 ZINC000009354541 569525024 /nfs/dbraw/zinc/52/50/24/569525024.db2.gz INRDYEXVPXFFNF-UHFFFAOYSA-N 0 0 430.301 6.086 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1 ZINC000009354556 569525100 /nfs/dbraw/zinc/52/51/00/569525100.db2.gz XORIRLKWZBYXRB-UHFFFAOYSA-N 0 0 432.548 7.396 50 0 IKAARN COCCn1c2ccc(Cl)cc2nc1SCc1cccc(C(=O)N2CCCCC2)c1 ZINC000069948872 569525169 /nfs/dbraw/zinc/52/51/69/569525169.db2.gz LKHFJGBXHOHLSS-UHFFFAOYSA-N 0 0 444.000 5.255 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 ZINC000009354990 569525208 /nfs/dbraw/zinc/52/52/08/569525208.db2.gz KPIHMKXGWXNFIX-AREMUKBSSA-N 0 0 449.529 5.938 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)N1Cc1ccc(F)cc1 ZINC000009355417 569525218 /nfs/dbraw/zinc/52/52/18/569525218.db2.gz HOJUOBZONUGVSB-NDEPHWFRSA-N 0 0 432.498 6.719 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009355480 569525223 /nfs/dbraw/zinc/52/52/23/569525223.db2.gz IGSWLYDHXHOTNU-URAOTHONSA-N 0 0 442.562 7.152 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1 ZINC000009355435 569525228 /nfs/dbraw/zinc/52/52/28/569525228.db2.gz KDWKBLUSJKJJPS-PMERELPUSA-N 0 0 442.562 6.931 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009355479 569525234 /nfs/dbraw/zinc/52/52/34/569525234.db2.gz IGSWLYDHXHOTNU-DFXYEROKSA-N 0 0 442.562 7.152 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000009355429 569525237 /nfs/dbraw/zinc/52/52/37/569525237.db2.gz BIOUJXNEKJAQPZ-DFXYEROKSA-N 0 0 442.562 7.450 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000009355580 569525238 /nfs/dbraw/zinc/52/52/38/569525238.db2.gz LPDDPIWNFLHFSN-LJAQVGFWSA-N 0 0 444.534 6.589 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009355478 569525244 /nfs/dbraw/zinc/52/52/44/569525244.db2.gz IGSWLYDHXHOTNU-JRPXNJEYSA-N 0 0 442.562 7.152 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCCOC(C)C)cc1 ZINC000009355433 569525246 /nfs/dbraw/zinc/52/52/46/569525246.db2.gz LFSJMNAZRKZGAB-NDEPHWFRSA-N 0 0 438.571 6.504 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009355481 569525251 /nfs/dbraw/zinc/52/52/51/569525251.db2.gz IGSWLYDHXHOTNU-IIMAJNMQSA-N 0 0 442.562 7.152 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009355543 569525260 /nfs/dbraw/zinc/52/52/60/569525260.db2.gz CKFLBURPIRFVSR-XBBWARJSSA-N 0 0 446.525 7.280 50 0 IKAARN O=C(c1c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n2c1-c1ccccc1)c1ccccc1 ZINC000009357865 569525615 /nfs/dbraw/zinc/52/56/15/569525615.db2.gz VAVNDIAPBWDINT-UHFFFAOYSA-N 0 0 440.502 6.346 50 0 IKAARN CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nc2sc(C)c(C)c2c1=O ZINC000009357903 569525640 /nfs/dbraw/zinc/52/56/40/569525640.db2.gz GLGMTQINLYLCPH-UHFFFAOYSA-N 0 0 426.563 5.110 50 0 IKAARN O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1Cl ZINC000009361053 569525751 /nfs/dbraw/zinc/52/57/51/569525751.db2.gz JFQUDQRQNFZVSO-GOSISDBHSA-N 0 0 445.769 6.156 50 0 IKAARN Nc1c(C(=O)Nc2cccc3ccccc32)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000009361367 569525851 /nfs/dbraw/zinc/52/58/51/569525851.db2.gz MDKQYBXRQDFDGT-UHFFFAOYSA-N 0 0 439.540 6.423 50 0 IKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c(OC)c1 ZINC000009361252 569525856 /nfs/dbraw/zinc/52/58/56/569525856.db2.gz QSXSSCPEQSUJDL-RUZDIDTESA-N 0 0 443.478 5.291 50 0 IKAARN O=C(CCOc1ccccc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 ZINC000009363732 569525951 /nfs/dbraw/zinc/52/59/51/569525951.db2.gz HGFQCRHSJXLJDQ-UHFFFAOYSA-N 0 0 428.513 5.449 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3C3CC3)cs2)cc1 ZINC000009365111 569526138 /nfs/dbraw/zinc/52/61/38/569526138.db2.gz 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Cc1cccc(Cn2cc(SCC(=O)Nc3cccc4ccccc43)c3ccccc32)c1 ZINC000009394415 569529155 /nfs/dbraw/zinc/52/91/55/569529155.db2.gz FJGMGJIWLGMGOD-UHFFFAOYSA-N 0 0 436.580 6.882 50 0 IKAARN Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3c(C)cc(C)cc3C)c3ccccc32)c1 ZINC000009394442 569529157 /nfs/dbraw/zinc/52/91/57/569529157.db2.gz QFBMPBFAKICIPT-UHFFFAOYSA-N 0 0 442.628 6.963 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000009397126 569529283 /nfs/dbraw/zinc/52/92/83/569529283.db2.gz GQZDRMWOMQJXQC-XNMGPUDCSA-N 0 0 428.532 6.116 50 0 IKAARN c1cnn(CCN(Cc2csc(C3CCCC3)n2)Cc2csc(C3CCCC3)n2)c1 ZINC000070037160 569529364 /nfs/dbraw/zinc/52/93/64/569529364.db2.gz IHXODZRTOPVOFE-UHFFFAOYSA-N 0 0 441.670 5.814 50 0 IKAARN O=C(N1CCC(c2nc3ccccc3o2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000070036743 569529371 /nfs/dbraw/zinc/52/93/71/569529371.db2.gz ZBXQKWRYXZCPEW-UHFFFAOYSA-N 0 0 425.326 5.028 50 0 IKAARN O=C(c1nc2ccccc2s1)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000009402344 569529427 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COc1ccc(-c2nc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cs2)cc1 ZINC000009446938 569536028 /nfs/dbraw/zinc/53/60/28/569536028.db2.gz IISLRZQHJCEFSI-UHFFFAOYSA-N 0 0 435.574 5.448 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccccc3F)sc3ccccc3c2=O)cc1OC ZINC000009448684 569536136 /nfs/dbraw/zinc/53/61/36/569536136.db2.gz GECQHRQUUYQQBU-UHFFFAOYSA-N 0 0 435.476 5.337 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2)cs1 ZINC000009449076 569536155 /nfs/dbraw/zinc/53/61/55/569536155.db2.gz PABWITQUXRVBIH-QHCPKHFHSA-N 0 0 441.556 5.098 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2c1 ZINC000009449280 569536199 /nfs/dbraw/zinc/53/61/99/569536199.db2.gz HRRJKVFUHARFNS-MRXNPFEDSA-N 0 0 434.923 6.679 50 0 IKAARN O=c1cc(CSCCOc2c(Cl)cccc2Cl)nc2sc3c(n21)CCCC3 ZINC000009449490 569536205 /nfs/dbraw/zinc/53/62/05/569536205.db2.gz WUFIZAFRJWNNAY-UHFFFAOYSA-N 0 0 441.405 5.254 50 0 IKAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000009449564 569536228 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Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cc(C)nc4ccccc43)c2)c1 ZINC000009465401 569537891 /nfs/dbraw/zinc/53/78/91/569537891.db2.gz MTYRADINQKMPAG-UHFFFAOYSA-N 0 0 445.544 5.213 50 0 IKAARN C[C@@H]1CCN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2S1 ZINC000009465178 569537908 /nfs/dbraw/zinc/53/79/08/569537908.db2.gz RWDATPKHGDKXSM-MRXNPFEDSA-N 0 0 436.606 5.154 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009465919 569538082 /nfs/dbraw/zinc/53/80/82/569538082.db2.gz GCKSLFUKLCUXGC-KRWDZBQOSA-N 0 0 430.533 5.062 50 0 IKAARN COc1ccc(-c2noc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(OC)c1 ZINC000009465900 569538087 /nfs/dbraw/zinc/53/80/87/569538087.db2.gz JFVMHEWMESEWQY-UHFFFAOYSA-N 0 0 448.319 5.370 50 0 IKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009466194 569538130 /nfs/dbraw/zinc/53/81/30/569538130.db2.gz VPMXYYXIAVNBJU-KRWDZBQOSA-N 0 0 438.940 5.296 50 0 IKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009466196 569538148 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CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C1CCCCC1 ZINC000009471124 569538884 /nfs/dbraw/zinc/53/88/84/569538884.db2.gz XABUIMOQRNQLQW-UHFFFAOYSA-N 0 0 442.535 5.096 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000009471024 569538933 /nfs/dbraw/zinc/53/89/33/569538933.db2.gz UIXHTJUTUXFZPX-GOSISDBHSA-N 0 0 426.339 5.590 50 0 IKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000009476794 569539116 /nfs/dbraw/zinc/53/91/16/569539116.db2.gz ASSIMMOBQPRIRJ-GFCCVEGCSA-N 0 0 439.491 5.159 50 0 IKAARN Cc1ccc(C)c(-n2c(SCc3ccccc3)nnc2-c2cc3sccc3n2C)c1 ZINC000009477747 569539262 /nfs/dbraw/zinc/53/92/62/569539262.db2.gz UKWREZRNXJHAOD-UHFFFAOYSA-N 0 0 430.602 6.397 50 0 IKAARN CCOC(CSc1ncnc2c3c4c(c(CC(C)C)nc3sc21)CCC4)OCC ZINC000009477914 569539272 /nfs/dbraw/zinc/53/92/72/569539272.db2.gz IPPWMVBEZLBCJX-UHFFFAOYSA-N 0 0 431.627 5.418 50 0 IKAARN Cc1ccc(S(=O)(=O)NCC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 ZINC000009478241 569539322 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COc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@@H]2CCCO2)cc1 ZINC000009481267 569539452 /nfs/dbraw/zinc/53/94/52/569539452.db2.gz IMDCUCCEYCMKIM-KRWDZBQOSA-N 0 0 438.578 5.035 50 0 IKAARN COc1cccc(-c2csc(N3N=C(C)C[C@H]3c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000009485783 569539603 /nfs/dbraw/zinc/53/96/03/569539603.db2.gz BQNMVLPWKRPPIZ-IBGZPJMESA-N 0 0 439.537 5.172 50 0 IKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000009486895 569539653 /nfs/dbraw/zinc/53/96/53/569539653.db2.gz VVACOMSEIWXRBX-QHCPKHFHSA-N 0 0 442.515 5.754 50 0 IKAARN COc1ccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000009487404 569539699 /nfs/dbraw/zinc/53/96/99/569539699.db2.gz XLTYIGJTUAXSLA-UHFFFAOYSA-N 0 0 434.543 6.356 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2Nc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000009487457 569539803 /nfs/dbraw/zinc/53/98/03/569539803.db2.gz ZZTVSSUOAXFSLD-UHFFFAOYSA-N 0 0 425.363 7.053 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2COC(C)(C)C3)cc1 ZINC000009487981 569539846 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CC(=O)Nc1ccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)cc1 ZINC000009489894 569540066 /nfs/dbraw/zinc/54/00/66/569540066.db2.gz UGWXULAWCNUELG-QGOAFFKASA-N 0 0 431.495 5.668 50 0 IKAARN CCCCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CSCc1cccc(Cl)c1)N2 ZINC000009490595 569540156 /nfs/dbraw/zinc/54/01/56/569540156.db2.gz FYACFCYXMRISJQ-OAQYLSRUSA-N 0 0 446.016 5.316 50 0 IKAARN Cc1nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)ccc2n1-c1ccc(Br)cc1 ZINC000009490404 569540158 /nfs/dbraw/zinc/54/01/58/569540158.db2.gz UCCNXYNJUVQCSP-IFXJQAMLSA-N 0 0 426.358 5.405 50 0 IKAARN Cc1nc2cc(C(=O)N[C@H]3CCCC[C@H]3C)ccc2n1-c1ccc(Br)cc1 ZINC000009490407 569540197 /nfs/dbraw/zinc/54/01/97/569540197.db2.gz UCCNXYNJUVQCSP-KUHUBIRLSA-N 0 0 426.358 5.405 50 0 IKAARN CC[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCC(C)CC1 ZINC000009490643 569540227 /nfs/dbraw/zinc/54/02/27/569540227.db2.gz DECDRSRFOOBMBA-NRFANRHFSA-N 0 0 432.593 5.335 50 0 IKAARN CCCCN(CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000009490867 569540287 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Cc1cc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc2c(C)c1 ZINC000009525620 569544523 /nfs/dbraw/zinc/54/45/23/569544523.db2.gz JGCZPYJODLXMHA-UHFFFAOYSA-N 0 0 429.570 6.370 50 0 IKAARN Cc1cccc(N2CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@@H]2C)c1 ZINC000009527105 569544629 /nfs/dbraw/zinc/54/46/29/569544629.db2.gz UFRXTDGWMYOQDQ-IBGZPJMESA-N 0 0 428.967 5.974 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000009527039 569544641 /nfs/dbraw/zinc/54/46/41/569544641.db2.gz PRKSPQBTFWGVNG-UHFFFAOYSA-N 0 0 444.966 5.594 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(F)cc1F)[C@H]2c1ccccc1 ZINC000009527701 569544642 /nfs/dbraw/zinc/54/46/42/569544642.db2.gz QNNIQJCNJYBHHY-QHCPKHFHSA-N 0 0 426.532 5.483 50 0 IKAARN CCOc1ccc(CCNc2ncnc3scc(-c4ccc(F)cc4)c32)cc1OCC ZINC000009527734 569544655 /nfs/dbraw/zinc/54/46/55/569544655.db2.gz JIEDVIVJOIPXNA-UHFFFAOYSA-N 0 0 437.540 5.949 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3C)c2)cc1 ZINC000009527878 569544718 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569546912 /nfs/dbraw/zinc/54/69/12/569546912.db2.gz NFQFAWWMBGIYOW-OAHLLOKOSA-N 0 0 435.911 6.074 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000009559383 569546932 /nfs/dbraw/zinc/54/69/32/569546932.db2.gz CAFCAIIHPBDGFU-FTJBHMTQSA-N 0 0 437.543 5.290 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc21 ZINC000009559668 569547010 /nfs/dbraw/zinc/54/70/10/569547010.db2.gz HDRKFTLQPXOILD-JWQCQUIFSA-N 0 0 439.515 5.116 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc21 ZINC000009559622 569547019 /nfs/dbraw/zinc/54/70/19/569547019.db2.gz WHCGKMZZJIOKKQ-XZOQPEGZSA-N 0 0 429.907 5.371 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc32)c(Cl)c1 ZINC000009559717 569547030 /nfs/dbraw/zinc/54/70/30/569547030.db2.gz PVRDXYGTBWMFNY-ZEQRLZLVSA-N 0 0 443.934 5.679 50 0 IKAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc(Br)cc2)n1 ZINC000009561282 569547112 /nfs/dbraw/zinc/54/71/12/569547112.db2.gz 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Cc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1NC(=O)c1ccco1 ZINC000009579261 569548470 /nfs/dbraw/zinc/54/84/70/569548470.db2.gz BGGSXKRTESVUQC-UHFFFAOYSA-N 0 0 444.462 5.702 50 0 IKAARN O=C(Nc1ccc(F)cc1F)C12CC3CC(C1)CC(C(=O)Nc1ccc(F)cc1F)(C3)C2 ZINC000009579674 569548495 /nfs/dbraw/zinc/54/84/95/569548495.db2.gz JMHMJYNEVUNPEY-UHFFFAOYSA-N 0 0 446.444 5.407 50 0 IKAARN COc1ccc([C@H]2CCCN2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c(OC)c1 ZINC000009579841 569548559 /nfs/dbraw/zinc/54/85/59/569548559.db2.gz JEURGAJVRMOUQB-HXUWFJFHSA-N 0 0 447.560 5.006 50 0 IKAARN CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000009580854 569548857 /nfs/dbraw/zinc/54/88/57/569548857.db2.gz UGTQTRRWLFJKRT-UHFFFAOYSA-N 0 0 426.611 5.181 50 0 IKAARN Cc1ccccc1OCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1ccccc1 ZINC000009583884 569549358 /nfs/dbraw/zinc/54/93/58/569549358.db2.gz LGBLBPJKTARNFM-HSZRJFAPSA-N 0 0 436.471 5.003 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)NCCCn2nc(C)cc2C)n1 ZINC000009584906 569549462 /nfs/dbraw/zinc/54/94/62/569549462.db2.gz OYGVNBPPOPYBNQ-UHFFFAOYSA-N 0 0 440.594 5.123 50 0 IKAARN C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1 ZINC000009584731 569549464 /nfs/dbraw/zinc/54/94/64/569549464.db2.gz RARRIEZIAIABMK-JTQLQIEISA-N 0 0 442.418 6.089 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)o1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000009585698 569549532 /nfs/dbraw/zinc/54/95/32/569549532.db2.gz ZZYDJVMDYFGRDL-UHFFFAOYSA-N 0 0 439.556 5.253 50 0 IKAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1c(Cl)cccc1Cl ZINC000009585511 569549537 /nfs/dbraw/zinc/54/95/37/569549537.db2.gz VZIVNDJHWZCGQO-UHFFFAOYSA-N 0 0 426.727 5.641 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c(OC)c1 ZINC000009585926 569549600 /nfs/dbraw/zinc/54/96/00/569549600.db2.gz FNXAFJIPUCIPHC-JOCHJYFZSA-N 0 0 438.549 5.025 50 0 IKAARN COc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2CC(C)C)cs1 ZINC000009586794 569549749 /nfs/dbraw/zinc/54/97/49/569549749.db2.gz MRRWHAXGVHSXMF-UHFFFAOYSA-N 0 0 437.590 5.477 50 0 IKAARN CSc1ccc(CNC(=O)c2cc(OCc3ccc(C)cc3)nc3ccccc32)cc1 ZINC000009588015 569549824 /nfs/dbraw/zinc/54/98/24/569549824.db2.gz VFFXQBVUPHAOAW-UHFFFAOYSA-N 0 0 428.557 5.774 50 0 IKAARN Cc1ccc(Nc2nc(N)nc(COc3ccc(Cl)cc3Cc3ccccc3)n2)cc1 ZINC000009587763 569549844 /nfs/dbraw/zinc/54/98/44/569549844.db2.gz KZXIATWRJOJLJE-UHFFFAOYSA-N 0 0 431.927 5.329 50 0 IKAARN Cc1ccc(COc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000009587890 569549856 /nfs/dbraw/zinc/54/98/56/569549856.db2.gz BRLXJRXDIOEUKU-UHFFFAOYSA-N 0 0 430.935 5.748 50 0 IKAARN Cc1cccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589250 569549943 /nfs/dbraw/zinc/54/99/43/569549943.db2.gz IMGWVZIXNHMSEF-UHFFFAOYSA-N 0 0 449.598 7.033 50 0 IKAARN CCOc1ccc(C2=Nn3c(nnc3-c3ccc(C(C)(C)C)cc3)SC2)cc1Cl ZINC000009590785 569549992 /nfs/dbraw/zinc/54/99/92/569549992.db2.gz JWJLDPGXIQYHSC-UHFFFAOYSA-N 0 0 426.973 5.653 50 0 IKAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)CCc2ccccc2)cc1 ZINC000009591208 569550177 /nfs/dbraw/zinc/55/01/77/569550177.db2.gz ZMJMBQLNMGBZHI-UHFFFAOYSA-N 0 0 446.938 5.492 50 0 IKAARN Cc1cc(C)c(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)c(C)c1 ZINC000009591526 569550196 /nfs/dbraw/zinc/55/01/96/569550196.db2.gz ZMXIBQABNGPFIK-UHFFFAOYSA-N 0 0 431.463 5.746 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000009591830 569550219 /nfs/dbraw/zinc/55/02/19/569550219.db2.gz OLMUXNFCUOLKSZ-UHFFFAOYSA-N 0 0 433.891 5.952 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000009591627 569550222 /nfs/dbraw/zinc/55/02/22/569550222.db2.gz BBCWGXYSXJZYPI-QGZVFWFLSA-N 0 0 447.918 6.340 50 0 IKAARN O=C(Nc1cc2c(cc1[C@@H](O)c1ccc(Cl)cc1)OCCO2)c1cccc(Cl)c1 ZINC000009592464 569550277 /nfs/dbraw/zinc/55/02/77/569550277.db2.gz QBXJGMOWEMQXHX-NRFANRHFSA-N 0 0 430.287 5.099 50 0 IKAARN O=C(Nc1cc2c(cc1[C@H](O)c1ccc(Cl)cc1)OCCO2)c1cccc(Cl)c1 ZINC000009592460 569550291 /nfs/dbraw/zinc/55/02/91/569550291.db2.gz QBXJGMOWEMQXHX-OAQYLSRUSA-N 0 0 430.287 5.099 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009592286 569550293 /nfs/dbraw/zinc/55/02/93/569550293.db2.gz YCLAQBJNUBDZNP-HXUWFJFHSA-N 0 0 434.492 5.318 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(OCc4c(C)noc4C)cc3)s2)cs1 ZINC000009592881 569550342 /nfs/dbraw/zinc/55/03/42/569550342.db2.gz JHFUQOZJRZIXAU-UHFFFAOYSA-N 0 0 439.562 5.294 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009593247 569550378 /nfs/dbraw/zinc/55/03/78/569550378.db2.gz ICSKRVZPIYRMIF-ZDUSSCGKSA-N 0 0 442.997 5.324 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000009593118 569550395 /nfs/dbraw/zinc/55/03/95/569550395.db2.gz WUHQCHHDFDTNSW-IBGZPJMESA-N 0 0 430.529 5.773 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 ZINC000009593904 569550543 /nfs/dbraw/zinc/55/05/43/569550543.db2.gz OIUAERJXAQVYDV-UHFFFAOYSA-N 0 0 439.587 5.800 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(F)c1F ZINC000009594770 569550621 /nfs/dbraw/zinc/55/06/21/569550621.db2.gz PHZRKPVUMSAWIS-UHFFFAOYSA-N 0 0 431.345 5.016 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)CSc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000009594924 569550625 /nfs/dbraw/zinc/55/06/25/569550625.db2.gz INVAZLCWARZBTK-HSZRJFAPSA-N 0 0 429.589 5.274 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000009594892 569550655 /nfs/dbraw/zinc/55/06/55/569550655.db2.gz VAILGIRFJUCDQW-UHFFFAOYSA-N 0 0 435.455 5.100 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)s2)cs1 ZINC000009595102 569550685 /nfs/dbraw/zinc/55/06/85/569550685.db2.gz KHDJOSDQDFAWLI-UHFFFAOYSA-N 0 0 437.546 5.264 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cn1 ZINC000009597230 569550903 /nfs/dbraw/zinc/55/09/03/569550903.db2.gz OOZLXHFZTXONCE-UHFFFAOYSA-N 0 0 439.265 5.644 50 0 IKAARN CCCCOc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000009597451 569550907 /nfs/dbraw/zinc/55/09/07/569550907.db2.gz AYXBBSWUUXQRPV-UHFFFAOYSA-N 0 0 426.994 7.433 50 0 IKAARN C[C@H](NC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21)c1ccccc1 ZINC000009598078 569550975 /nfs/dbraw/zinc/55/09/75/569550975.db2.gz IYNHCVNIZNPLLA-AWEZNQCLSA-N 0 0 437.362 6.217 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21)c1ccccc1 ZINC000009598079 569550983 /nfs/dbraw/zinc/55/09/83/569550983.db2.gz IYNHCVNIZNPLLA-CQSZACIVSA-N 0 0 437.362 6.217 50 0 IKAARN O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000009599163 569551138 /nfs/dbraw/zinc/55/11/38/569551138.db2.gz NPFFHDWXLUUYBF-UHFFFAOYSA-N 0 0 432.376 5.837 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2Cc1cccc(F)c1 ZINC000009599068 569551151 /nfs/dbraw/zinc/55/11/51/569551151.db2.gz RBWQTVHFJBNXQE-UHFFFAOYSA-N 0 0 449.334 5.325 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000009599158 569551179 /nfs/dbraw/zinc/55/11/79/569551179.db2.gz WQKFBVNAAZZYMZ-UHFFFAOYSA-N 0 0 443.975 6.103 50 0 IKAARN COC(=O)c1ccccc1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1ccccc1 ZINC000009599130 569551184 /nfs/dbraw/zinc/55/11/84/569551184.db2.gz LOPQTUWSGFBTDP-UHFFFAOYSA-N 0 0 449.576 5.097 50 0 IKAARN CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(C)cc2)C(c2ccc(Br)cc2)=N1 ZINC000009599319 569551203 /nfs/dbraw/zinc/55/12/03/569551203.db2.gz RSGPRHAPTNYUSX-OAQYLSRUSA-N 0 0 444.398 5.457 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1ccc(Cl)cc1)Nc1ccccc1 ZINC000009599197 569551221 /nfs/dbraw/zinc/55/12/21/569551221.db2.gz UANAUWYANMAMEM-UHFFFAOYSA-N 0 0 425.985 5.964 50 0 IKAARN Cc1cc(NC(=O)CSC2=NC(C)(C)N=C2c2ccccc2)ccc1Br ZINC000009599233 569551234 /nfs/dbraw/zinc/55/12/34/569551234.db2.gz PSGIQSXSBSYSDA-UHFFFAOYSA-N 0 0 430.371 5.067 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009599386 569551238 /nfs/dbraw/zinc/55/12/38/569551238.db2.gz GMCNXXZYURDQDT-UHFFFAOYSA-N 0 0 436.364 5.311 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009599342 569551250 /nfs/dbraw/zinc/55/12/50/569551250.db2.gz XTVZRHFQQANQOX-UHFFFAOYSA-N 0 0 434.392 5.919 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)cc2Cl)cc1 ZINC000009599340 569551274 /nfs/dbraw/zinc/55/12/74/569551274.db2.gz KKAWTEDQRIYAOW-UHFFFAOYSA-N 0 0 436.364 5.311 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nn(-c3ccc(F)cc3)c(=S)s2)c1 ZINC000009602531 569551694 /nfs/dbraw/zinc/55/16/94/569551694.db2.gz AALQPOGPZQBROI-LBPRGKRZSA-N 0 0 433.555 5.124 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1Cc1ccccc1 ZINC000009602875 569551717 /nfs/dbraw/zinc/55/17/17/569551717.db2.gz WLGOJMXGQVDLJT-QFIPXVFZSA-N 0 0 432.524 5.246 50 0 IKAARN O=c1c2c(nc(SCc3c(F)cccc3Cl)n1CCc1ccccc1)CCS2 ZINC000009602695 569551720 /nfs/dbraw/zinc/55/17/20/569551720.db2.gz XPEJRXFKXXSXSH-UHFFFAOYSA-N 0 0 432.973 5.219 50 0 IKAARN COc1cccc(CNc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)c1 ZINC000009605664 569551886 /nfs/dbraw/zinc/55/18/86/569551886.db2.gz OJFMWOWVAIVEDC-UHFFFAOYSA-N 0 0 428.323 5.360 50 0 IKAARN CCOc1ccc(CCNc2nc3ccc(C)cc3nc2-n2nc(C)cc2C)cc1OCC ZINC000009605159 569551896 /nfs/dbraw/zinc/55/18/96/569551896.db2.gz GNJBWUJHFCWCPR-UHFFFAOYSA-N 0 0 445.567 5.193 50 0 IKAARN CCc1ccc(NC(=O)N(CC)c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000009606787 569551953 /nfs/dbraw/zinc/55/19/53/569551953.db2.gz SXTFFFRFHGNCTM-UHFFFAOYSA-N 0 0 430.371 6.193 50 0 IKAARN CCN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1nc(-c2ccc(C)cc2)cs1 ZINC000009606844 569551965 /nfs/dbraw/zinc/55/19/65/569551965.db2.gz ZVCVGRGHPRHWJS-UHFFFAOYSA-N 0 0 437.952 6.402 50 0 IKAARN CCCN(C(=O)Nc1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 ZINC000009606946 569551969 /nfs/dbraw/zinc/55/19/69/569551969.db2.gz WVOOFLKWABDLAZ-UHFFFAOYSA-N 0 0 434.334 6.160 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1Cl ZINC000009606337 569551970 /nfs/dbraw/zinc/55/19/70/569551970.db2.gz ZWWZDJFKKDCZBB-HXUWFJFHSA-N 0 0 428.294 6.692 50 0 IKAARN CCCN(C(=O)Nc1cc(C)cc(C)c1)c1nc(-c2cccc(Br)c2)cs1 ZINC000009606950 569551971 /nfs/dbraw/zinc/55/19/71/569551971.db2.gz CZPDGHPQSOXZCY-UHFFFAOYSA-N 0 0 444.398 6.638 50 0 IKAARN CCOc1ccccc1NC(=O)N(CC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607173 569552020 /nfs/dbraw/zinc/55/20/20/569552020.db2.gz VYMDLTWIMFZWFD-UHFFFAOYSA-N 0 0 449.620 7.315 50 0 IKAARN CCC1=Nc2cc(C(=O)NCCC(C)C)ccc2Sc2ccc(Br)cc21 ZINC000009608358 569552127 /nfs/dbraw/zinc/55/21/27/569552127.db2.gz KVONOOAWRNISNE-UHFFFAOYSA-N 0 0 431.399 6.220 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccc(C)cc1 ZINC000009608651 569552176 /nfs/dbraw/zinc/55/21/76/569552176.db2.gz KNERVWUJWWJGGT-NRFANRHFSA-N 0 0 434.565 5.039 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(F)cc1 ZINC000009609354 569552312 /nfs/dbraw/zinc/55/23/12/569552312.db2.gz DNYDKTSSMGVVSM-UHFFFAOYSA-N 0 0 436.918 5.685 50 0 IKAARN Cc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)c1C ZINC000009609464 569552317 /nfs/dbraw/zinc/55/23/17/569552317.db2.gz JMNKMPNGOLYIKE-UHFFFAOYSA-N 0 0 432.955 5.855 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000009609436 569552336 /nfs/dbraw/zinc/55/23/36/569552336.db2.gz OXFHMQLMHAETHE-INIZCTEOSA-N 0 0 430.527 5.271 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000009609566 569552350 /nfs/dbraw/zinc/55/23/50/569552350.db2.gz BYDBQDBIYGFHJU-MRXNPFEDSA-N 0 0 432.955 5.477 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000009609489 569552370 /nfs/dbraw/zinc/55/23/70/569552370.db2.gz HWUSYPYOWUMSSS-UHFFFAOYSA-N 0 0 439.346 5.891 50 0 IKAARN Cc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)c(C)c1 ZINC000009609473 569552375 /nfs/dbraw/zinc/55/23/75/569552375.db2.gz IUGIEQKXPJQJGN-UHFFFAOYSA-N 0 0 432.955 5.855 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N[C@@H](C)c1cccs1 ZINC000009609574 569552379 /nfs/dbraw/zinc/55/23/79/569552379.db2.gz AIRTZBSKDSPQPF-HNNXBMFYSA-N 0 0 438.984 5.538 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000009609537 569552387 /nfs/dbraw/zinc/55/23/87/569552387.db2.gz JXZMZAJDHBYMHZ-UHFFFAOYSA-N 0 0 436.918 5.055 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N[C@H](C)c3cccs3)c(C)c12 ZINC000009610267 569552513 /nfs/dbraw/zinc/55/25/13/569552513.db2.gz HOCSTHQKBZFCQK-LJQANCHMSA-N 0 0 446.620 5.834 50 0 IKAARN Cc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000009610725 569552557 /nfs/dbraw/zinc/55/25/57/569552557.db2.gz DJYPYSDBTPBNDA-UHFFFAOYSA-N 0 0 445.902 5.014 50 0 IKAARN COc1ccc(S(=O)(=O)c2cc3cc(C(C)(C)C)cc(C(C)(C)C)c3oc2=O)cc1 ZINC000009610713 569552587 /nfs/dbraw/zinc/55/25/87/569552587.db2.gz TWCWQFAUVOTACO-UHFFFAOYSA-N 0 0 428.550 5.229 50 0 IKAARN Cc1cccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCCO4)c1 ZINC000009610770 569552647 /nfs/dbraw/zinc/55/26/47/569552647.db2.gz PNJSQXSHOXZBOT-UHFFFAOYSA-N 0 0 445.902 5.014 50 0 IKAARN CCn1c2ccccc2c2sc(C(=O)N(Cc3ccco3)C3CCCCC3)cc2c1=O ZINC000009611151 569552727 /nfs/dbraw/zinc/55/27/27/569552727.db2.gz OHCPBBFGCBBCMN-UHFFFAOYSA-N 0 0 434.561 5.804 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1cc(Cl)ccc1OC ZINC000009611173 569552736 /nfs/dbraw/zinc/55/27/36/569552736.db2.gz MDPJIRLLBJNKAZ-UHFFFAOYSA-N 0 0 427.909 5.645 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)c(Br)c1 ZINC000009611163 569552744 /nfs/dbraw/zinc/55/27/44/569552744.db2.gz VTBQZOOTIXTEFO-UHFFFAOYSA-N 0 0 428.307 5.639 50 0 IKAARN Cc1c(C2=CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000009612130 569552810 /nfs/dbraw/zinc/55/28/10/569552810.db2.gz UPGCBPQORWTILA-UHFFFAOYSA-N 0 0 442.584 5.476 50 0 IKAARN Cc1cc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)ccc1Br ZINC000009612099 569552813 /nfs/dbraw/zinc/55/28/13/569552813.db2.gz IVRGKAMDIACCMD-LJQANCHMSA-N 0 0 428.717 5.577 50 0 IKAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)NCCc1ccc(Cl)cc1 ZINC000009612216 569552825 /nfs/dbraw/zinc/55/28/25/569552825.db2.gz VWIDTYHQJFRRNJ-UHFFFAOYSA-N 0 0 445.415 5.871 50 0 IKAARN CCOc1ccc(NC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)cc1 ZINC000009612214 569552872 /nfs/dbraw/zinc/55/28/72/569552872.db2.gz OIYKBSYNMKMFQI-UHFFFAOYSA-N 0 0 426.969 5.897 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000009613135 569552977 /nfs/dbraw/zinc/55/29/77/569552977.db2.gz NPJWRHNGPXETLU-DHUDBDOYSA-N 0 0 436.983 5.286 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000009614453 569553123 /nfs/dbraw/zinc/55/31/23/569553123.db2.gz KNKYIHVBDYUDSG-XMMPIXPASA-N 0 0 437.326 5.566 50 0 IKAARN Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000009614500 569553140 /nfs/dbraw/zinc/55/31/40/569553140.db2.gz SPMUVVVXHAEBRK-MHZLTWQESA-N 0 0 447.962 5.779 50 0 IKAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1 ZINC000009614228 569553142 /nfs/dbraw/zinc/55/31/42/569553142.db2.gz POHPAQZSWLGPTH-HSZRJFAPSA-N 0 0 429.520 5.548 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCCCC4)cc1C ZINC000009615450 569553208 /nfs/dbraw/zinc/55/32/08/569553208.db2.gz GQXFKIFTYSTXEL-UHFFFAOYSA-N 0 0 444.600 5.456 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1-c1ccccc1 ZINC000009615869 569553228 /nfs/dbraw/zinc/55/32/28/569553228.db2.gz PXJKNSWYXOPTDC-QHCPKHFHSA-N 0 0 428.561 5.665 50 0 IKAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)[nH]1)c1ccc(Nc2ccccc2)cc1 ZINC000009616995 569553337 /nfs/dbraw/zinc/55/33/37/569553337.db2.gz MQPLXKGFKNNLMO-UHFFFAOYSA-N 0 0 444.560 5.200 50 0 IKAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)NCCc1cccs1 ZINC000009620768 569553489 /nfs/dbraw/zinc/55/34/89/569553489.db2.gz GOFHTEFROBINTK-UHFFFAOYSA-N 0 0 429.567 5.010 50 0 IKAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000009623038 569553500 /nfs/dbraw/zinc/55/35/00/569553500.db2.gz XIBBVTIRIUFDBI-UHFFFAOYSA-N 0 0 440.590 5.123 50 0 IKAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000009625353 569553515 /nfs/dbraw/zinc/55/35/15/569553515.db2.gz GNYKYMULFWZFQU-UHFFFAOYSA-N 0 0 435.336 5.584 50 0 IKAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1nc2ccccc2s1 ZINC000009625723 569553551 /nfs/dbraw/zinc/55/35/51/569553551.db2.gz MTJSADVQYXTMMK-UHFFFAOYSA-N 0 0 443.941 5.231 50 0 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O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000009633038 569554195 /nfs/dbraw/zinc/55/41/95/569554195.db2.gz FTQMOZRXYQXBHO-UHFFFAOYSA-N 0 0 428.489 5.005 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(Cl)cc2)cc1 ZINC000009633653 569554258 /nfs/dbraw/zinc/55/42/58/569554258.db2.gz URPVAMIGSFSMJY-UHFFFAOYSA-N 0 0 437.926 8.023 50 0 IKAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000009633506 569554270 /nfs/dbraw/zinc/55/42/70/569554270.db2.gz RHDZQYACPHNLPR-UHFFFAOYSA-N 0 0 445.009 6.482 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccccc3OC)n2C2CCCCC2)cc1F ZINC000009633673 569554279 /nfs/dbraw/zinc/55/42/79/569554279.db2.gz ZEKCULWSRUIGDR-UHFFFAOYSA-N 0 0 427.545 5.899 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)o1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000009634638 569554513 /nfs/dbraw/zinc/55/45/13/569554513.db2.gz RTDXBFRHCFCVRE-UHFFFAOYSA-N 0 0 431.945 5.439 50 0 IKAARN Cc1csc(N(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c2ccccc2)n1 ZINC000009634742 569554521 /nfs/dbraw/zinc/55/45/21/569554521.db2.gz 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O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Nc1cccc(Cl)c1 ZINC000009642724 569555821 /nfs/dbraw/zinc/55/58/21/569555821.db2.gz QJJRSAHADNBSIY-UHFFFAOYSA-N 0 0 433.939 5.896 50 0 IKAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc21)C(=O)N1CCCC1 ZINC000009642437 569555847 /nfs/dbraw/zinc/55/58/47/569555847.db2.gz AHPYTYKUDFYGQV-CQSZACIVSA-N 0 0 442.382 5.162 50 0 IKAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)N(c1ccccc1)C1CCCCC1 ZINC000009642465 569555858 /nfs/dbraw/zinc/55/58/58/569555858.db2.gz XKPCNEPAIKXWEL-UHFFFAOYSA-N 0 0 441.742 5.565 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Nc1ccccc1Cl ZINC000009642720 569555873 /nfs/dbraw/zinc/55/58/73/569555873.db2.gz WKPQYKZDNOLWPY-UHFFFAOYSA-N 0 0 433.939 5.896 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Sc1ncnc2sc(C)c(C)c21)c1ccccc1 ZINC000009644093 569555991 /nfs/dbraw/zinc/55/59/91/569555991.db2.gz AAPQTQBBCFLVAK-NRFANRHFSA-N 0 0 449.601 6.179 50 0 IKAARN Cc1ccc(C(=O)[C@H](Sc2nnc(Cc3cccs3)n2C)c2ccc(C)cc2)cc1 ZINC000009644272 569556008 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CCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(SC(F)F)cc2)n1 ZINC000009648297 569556513 /nfs/dbraw/zinc/55/65/13/569556513.db2.gz GQKDVGIOQVTXAV-UHFFFAOYSA-N 0 0 426.496 5.696 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)c2O1 ZINC000009659780 569556667 /nfs/dbraw/zinc/55/66/67/569556667.db2.gz PDKLFLORVXZNSM-UHFFFAOYSA-N 0 0 435.951 5.605 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3o2)cc1 ZINC000009660310 569556780 /nfs/dbraw/zinc/55/67/80/569556780.db2.gz UVKDGWRWALLBLE-UHFFFAOYSA-N 0 0 441.527 6.409 50 0 IKAARN COc1cc(C(=O)Nc2nnc(SCc3ccccc3F)s2)ccc1OCC(C)C ZINC000009662499 569557140 /nfs/dbraw/zinc/55/71/40/569557140.db2.gz ZFOBQPGQFHDLJN-UHFFFAOYSA-N 0 0 447.557 5.265 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000009662566 569557161 /nfs/dbraw/zinc/55/71/61/569557161.db2.gz UDASGTPSELTFIS-UHFFFAOYSA-N 0 0 425.510 5.384 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000009663176 569557195 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COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2C(C)C)cc1 ZINC000009664074 569557336 /nfs/dbraw/zinc/55/73/36/569557336.db2.gz VBWPHFMWLRNANW-UHFFFAOYSA-N 0 0 432.549 5.419 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)Nc1ccccc1 ZINC000009664089 569557347 /nfs/dbraw/zinc/55/73/47/569557347.db2.gz PIPXVASSGGPXPG-UHFFFAOYSA-N 0 0 434.952 5.378 50 0 IKAARN CCc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000009664093 569557366 /nfs/dbraw/zinc/55/73/66/569557366.db2.gz IHMOAZMWWRDMMX-UHFFFAOYSA-N 0 0 444.915 5.377 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 ZINC000009664633 569557446 /nfs/dbraw/zinc/55/74/46/569557446.db2.gz LMCLRUPQHDHIFN-UHFFFAOYSA-N 0 0 431.926 5.344 50 0 IKAARN O=C(Nc1ccccc1Cl)C(=Cc1ccc(F)cc1)C(=O)Nc1ccccc1Cl ZINC000009664813 569557486 /nfs/dbraw/zinc/55/74/86/569557486.db2.gz JDTAEUVOPJTBPT-UHFFFAOYSA-N 0 0 429.278 5.793 50 0 IKAARN CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(C)n1 ZINC000009664640 569557489 /nfs/dbraw/zinc/55/74/89/569557489.db2.gz 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O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1Cl ZINC000009668127 569557907 /nfs/dbraw/zinc/55/79/07/569557907.db2.gz WGJOPTLYBLDBIQ-UHFFFAOYSA-N 0 0 426.344 5.250 50 0 IKAARN O=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000009669003 569557946 /nfs/dbraw/zinc/55/79/46/569557946.db2.gz NJURGIOJEMESME-XIEYBQDHSA-N 0 0 433.511 5.191 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 ZINC000009669495 569558018 /nfs/dbraw/zinc/55/80/18/569558018.db2.gz QQBBXTLAYYJSKK-HSZRJFAPSA-N 0 0 444.560 5.053 50 0 IKAARN CSCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009669542 569558022 /nfs/dbraw/zinc/55/80/22/569558022.db2.gz RDSQUHZBIDDIHT-IBGZPJMESA-N 0 0 436.606 5.263 50 0 IKAARN CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009669442 569558056 /nfs/dbraw/zinc/55/80/56/569558056.db2.gz LGXUQDKAVDDYDM-GOSISDBHSA-N 0 0 447.391 5.384 50 0 IKAARN O=C(O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1nc(Cl)ccc1Cl ZINC000009670555 569558319 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O=C(Nc1ccccc1SCc1ccccc1)c1ccc(OCc2cscn2)cc1 ZINC000009726103 569563870 /nfs/dbraw/zinc/56/38/70/569563870.db2.gz YKBPNCIEYGUDRO-UHFFFAOYSA-N 0 0 432.570 6.267 50 0 IKAARN Clc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000009727123 569563973 /nfs/dbraw/zinc/56/39/73/569563973.db2.gz GHSZODFQLCIXQE-UHFFFAOYSA-N 0 0 434.282 6.276 50 0 IKAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3sccc3-c3ccccc3)n2)cc1 ZINC000009728360 569564114 /nfs/dbraw/zinc/56/41/14/569564114.db2.gz RDFWAOCCPYEPRG-UHFFFAOYSA-N 0 0 447.585 5.470 50 0 IKAARN Cn1c(Cc2cccs2)nnc1Sc1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000009728395 569564125 /nfs/dbraw/zinc/56/41/25/569564125.db2.gz CCWQJKBYCABIBK-UHFFFAOYSA-N 0 0 430.558 5.127 50 0 IKAARN Cc1sc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)[nH]c(=O)c2c1C ZINC000009728774 569564162 /nfs/dbraw/zinc/56/41/62/569564162.db2.gz XCHOQZIQKQYHDN-SECBINFHSA-N 0 0 444.607 5.130 50 0 IKAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccc(F)cc1 ZINC000009729556 569564262 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50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000009797809 569568517 /nfs/dbraw/zinc/56/85/17/569568517.db2.gz MBFLCLAZECXJCO-HNNXBMFYSA-N 0 0 435.524 5.416 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1)c1cc2ccccc2o1 ZINC000009796830 569568519 /nfs/dbraw/zinc/56/85/19/569568519.db2.gz YSZANFBVJQPGPD-ZDUSSCGKSA-N 0 0 443.912 5.018 50 0 IKAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009798311 569568536 /nfs/dbraw/zinc/56/85/36/569568536.db2.gz IPTHQLKJPNXHDL-QGZVFWFLSA-N 0 0 432.501 5.305 50 0 IKAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009798316 569568546 /nfs/dbraw/zinc/56/85/46/569568546.db2.gz IPTHQLKJPNXHDL-KRWDZBQOSA-N 0 0 432.501 5.305 50 0 IKAARN CCCCNc1nnc(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)s1 ZINC000009798887 569568549 /nfs/dbraw/zinc/56/85/49/569568549.db2.gz MECWWKBRQUNWBM-UHFFFAOYSA-N 0 0 428.543 5.056 50 0 IKAARN CCCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1nnc(-c2cccs2)o1 ZINC000009798034 569568574 /nfs/dbraw/zinc/56/85/74/569568574.db2.gz NKOOFCAHDTWQRF-UHFFFAOYSA-N 0 0 432.549 5.316 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3c(C)nn(Cc4ccccc4)c3C)ccc2OC)cc1 ZINC000009799783 569568602 /nfs/dbraw/zinc/56/86/02/569568602.db2.gz WQRULXMDUPMDEG-UHFFFAOYSA-N 0 0 441.531 5.485 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009805613 569568772 /nfs/dbraw/zinc/56/87/72/569568772.db2.gz IHYHASZHSBSUCG-WRONEBCDSA-N 0 0 432.567 7.350 50 0 IKAARN CCCCc1ccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)cc1 ZINC000009808983 569569069 /nfs/dbraw/zinc/56/90/69/569569069.db2.gz PUYYZWVGEYSXNQ-UHFFFAOYSA-N 0 0 436.556 5.220 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009813968 569569155 /nfs/dbraw/zinc/56/91/55/569569155.db2.gz WUKZQCSLXKDQBO-UHFFFAOYSA-N 0 0 435.578 5.417 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2ccccc2c1 ZINC000009814747 569569160 /nfs/dbraw/zinc/56/91/60/569569160.db2.gz CXWAUJUYXSOEHA-OAHLLOKOSA-N 0 0 434.590 5.464 50 0 IKAARN Cc1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000009818968 569569347 /nfs/dbraw/zinc/56/93/47/569569347.db2.gz MFNWXRCUIDTNJL-LJQANCHMSA-N 0 0 432.549 5.341 50 0 IKAARN CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1cccc(Cl)c1 ZINC000009823006 569569598 /nfs/dbraw/zinc/56/95/98/569569598.db2.gz SKUCJQRBESABHA-UHFFFAOYSA-N 0 0 442.791 5.417 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009827836 569569657 /nfs/dbraw/zinc/56/96/57/569569657.db2.gz HBHITGBGGULKKE-UHFFFAOYSA-N 0 0 445.862 5.914 50 0 IKAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c(C)c1C ZINC000009827895 569569732 /nfs/dbraw/zinc/56/97/32/569569732.db2.gz QJYUYVFYXUFBCG-UHFFFAOYSA-N 0 0 436.533 5.388 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]CCc3c[nH]c4ccccc34)c2C(=O)[O-])cc1 ZINC000009831757 569570221 /nfs/dbraw/zinc/57/02/21/569570221.db2.gz QWHKOMHXMNZTCE-UHFFFAOYSA-N 0 0 449.554 5.844 50 0 IKAARN C[C@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000009831781 569570237 /nfs/dbraw/zinc/57/02/37/569570237.db2.gz APMAQJBLTMWPQU-LJQANCHMSA-N 0 0 430.523 5.638 50 0 IKAARN O=c1nc(CSc2nnc(NC3CC3)s2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000009831990 569570266 /nfs/dbraw/zinc/57/02/66/569570266.db2.gz KOULAWNFBJAKMH-UHFFFAOYSA-N 0 0 447.998 5.023 50 0 IKAARN C[C@@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000009833313 569570301 /nfs/dbraw/zinc/57/03/01/569570301.db2.gz GPGZLALJAXDTHX-IBGZPJMESA-N 0 0 446.978 6.152 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009833335 569570370 /nfs/dbraw/zinc/57/03/70/569570370.db2.gz SIOGBMXQHSWFBR-UHFFFAOYSA-N 0 0 430.935 5.974 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H](CC)N1c2ccccc2C(c2ccccc2)=N[C@@H](C)C1=O ZINC000009834007 569570507 /nfs/dbraw/zinc/57/05/07/569570507.db2.gz OJKYFGRGTXVSOX-YADARESESA-N 0 0 439.559 5.239 50 0 IKAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2cc(Cl)ccc2Cl)CC1 ZINC000009835308 569570659 /nfs/dbraw/zinc/57/06/59/569570659.db2.gz AOZPVIAOGVMMSB-HXUWFJFHSA-N 0 0 448.350 5.181 50 0 IKAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000009835638 569570662 /nfs/dbraw/zinc/57/06/62/569570662.db2.gz HNPCLQYHVOFEHF-FCHUYYIVSA-N 0 0 438.886 5.037 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009835794 569570676 /nfs/dbraw/zinc/57/06/76/569570676.db2.gz IWHYKPBWINJVLD-VWLOTQADSA-N 0 0 429.520 5.004 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009835792 569570706 /nfs/dbraw/zinc/57/07/06/569570706.db2.gz IWHYKPBWINJVLD-RUZDIDTESA-N 0 0 429.520 5.004 50 0 IKAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009836299 569570755 /nfs/dbraw/zinc/57/07/55/569570755.db2.gz CAJPVGBGLNHTAY-SFHVURJKSA-N 0 0 446.528 5.695 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)c1C ZINC000009846585 569570997 /nfs/dbraw/zinc/57/09/97/569570997.db2.gz NFDPCDBYZDCUGG-YGRLFVJLSA-N 0 0 443.594 5.434 50 0 IKAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000009846998 569571048 /nfs/dbraw/zinc/57/10/48/569571048.db2.gz DTROBPOZGTZCCZ-UHFFFAOYSA-N 0 0 436.791 6.869 50 0 IKAARN CCOc1ccc2ncc(C(=O)c3ccc(C)cc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000009847443 569571098 /nfs/dbraw/zinc/57/10/98/569571098.db2.gz QYTVWUQLEYVGGH-UHFFFAOYSA-N 0 0 445.540 5.314 50 0 IKAARN Cc1cc2sc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)nc2c(C)c1 ZINC000009848239 569571246 /nfs/dbraw/zinc/57/12/46/569571246.db2.gz CZTWXLVCKMNKCY-UHFFFAOYSA-N 0 0 428.001 5.142 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)cc1Cl ZINC000009849620 569571287 /nfs/dbraw/zinc/57/12/87/569571287.db2.gz AJAKKAOSZCHISD-UHFFFAOYSA-N 0 0 436.968 5.252 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009849623 569571308 /nfs/dbraw/zinc/57/13/08/569571308.db2.gz KRXLWFMNQFIAQU-XMMPIXPASA-N 0 0 436.964 5.409 50 0 IKAARN CCc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1 ZINC000009849548 569571349 /nfs/dbraw/zinc/57/13/49/569571349.db2.gz UKPNFZRCEQIONE-UHFFFAOYSA-N 0 0 446.388 7.356 50 0 IKAARN CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@H]1c1ccc(Cl)cc1 ZINC000009850280 569571354 /nfs/dbraw/zinc/57/13/54/569571354.db2.gz YQLUPEABRRTZJK-QUCCMNQESA-N 0 0 432.973 5.008 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009851392 569571466 /nfs/dbraw/zinc/57/14/66/569571466.db2.gz DPNRDZUOWHRDKI-XMMPIXPASA-N 0 0 438.499 5.034 50 0 IKAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1C ZINC000009856215 569571543 /nfs/dbraw/zinc/57/15/43/569571543.db2.gz MUUZUHXDEURVER-UHFFFAOYSA-N 0 0 444.918 5.141 50 0 IKAARN O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009857808 569571680 /nfs/dbraw/zinc/57/16/80/569571680.db2.gz DJHXSHKFYHXBKH-LOSJGSFVSA-N 0 0 444.600 5.330 50 0 IKAARN CCOc1ccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2ccccc2O3)cc1 ZINC000009859558 569571769 /nfs/dbraw/zinc/57/17/69/569571769.db2.gz OJHFIAUEAOGHJK-UHFFFAOYSA-N 0 0 426.541 6.531 50 0 IKAARN COc1ccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2cccc(OC)c2O3)cc1 ZINC000009859519 569571784 /nfs/dbraw/zinc/57/17/84/569571784.db2.gz MGYXGGQRENBSDV-UHFFFAOYSA-N 0 0 442.540 6.150 50 0 IKAARN C[C@@H](Nc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12)c1ccccc1 ZINC000009858849 569571792 /nfs/dbraw/zinc/57/17/92/569571792.db2.gz UPRVUDTWTIAJKT-OAHLLOKOSA-N 0 0 444.336 5.880 50 0 IKAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000009864887 569572107 /nfs/dbraw/zinc/57/21/07/569572107.db2.gz WCGYXJSDHHEYSZ-XMMPIXPASA-N 0 0 438.556 5.318 50 0 IKAARN Cc1nnc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)n1-c1ccccc1C ZINC000009864249 569572125 /nfs/dbraw/zinc/57/21/25/569572125.db2.gz YGYAENFYNVURDE-UHFFFAOYSA-N 0 0 449.605 5.123 50 0 IKAARN Clc1ccccc1-c1nc(CSc2nnc(C3CC3)n2Cc2ccccc2)cs1 ZINC000009865139 569572139 /nfs/dbraw/zinc/57/21/39/569572139.db2.gz XGPPYNVNKQTDNV-UHFFFAOYSA-N 0 0 439.009 6.273 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000009865376 569572172 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448.592 5.294 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000009884636 569572813 /nfs/dbraw/zinc/57/28/13/569572813.db2.gz VXZUIHCNHUAGPP-INIZCTEOSA-N 0 0 449.507 5.893 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(C)c4OC)c3)nc2c1 ZINC000009892150 569572938 /nfs/dbraw/zinc/57/29/38/569572938.db2.gz MGGYSZJCOLGQLX-UHFFFAOYSA-N 0 0 445.544 5.501 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000009892113 569572944 /nfs/dbraw/zinc/57/29/44/569572944.db2.gz NERCQUWNZAXUDT-XCVCLJGOSA-N 0 0 434.373 5.643 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)nc2c1 ZINC000009892069 569572949 /nfs/dbraw/zinc/57/29/49/569572949.db2.gz YIFWQIGPXNAORY-UHFFFAOYSA-N 0 0 436.511 6.789 50 0 IKAARN Cc1ccc(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000009892737 569573019 /nfs/dbraw/zinc/57/30/19/569573019.db2.gz YKLNJVUHJHPCFH-UHFFFAOYSA-N 0 0 439.523 5.026 50 0 IKAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000009906598 569573103 /nfs/dbraw/zinc/57/31/03/569573103.db2.gz VHCXLAXLIMVVTQ-UHFFFAOYSA-N 0 0 448.954 5.697 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000009906663 569573105 /nfs/dbraw/zinc/57/31/05/569573105.db2.gz PPGFHVUPKQGPNB-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN O=C(CCc1ccccc1)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 ZINC000009907514 569573114 /nfs/dbraw/zinc/57/31/14/569573114.db2.gz PGJPVBWHFYQSEY-UHFFFAOYSA-N 0 0 447.489 5.054 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 ZINC000009906280 569573117 /nfs/dbraw/zinc/57/31/17/569573117.db2.gz NCYBBBJHDGBHEE-UHFFFAOYSA-N 0 0 426.831 5.125 50 0 IKAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)C1=O ZINC000009908316 569573236 /nfs/dbraw/zinc/57/32/36/569573236.db2.gz JAFVOPMAINKVEO-QHCPKHFHSA-N 0 0 444.369 5.098 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c(C)n1-c1nccs1 ZINC000009912590 569573281 /nfs/dbraw/zinc/57/32/81/569573281.db2.gz LTHIWWQBKYFPGJ-UHFFFAOYSA-N 0 0 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569573975 /nfs/dbraw/zinc/57/39/75/569573975.db2.gz IGBXWWPVNSBJSQ-UHFFFAOYSA-N 0 0 441.918 6.037 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000009942225 569574013 /nfs/dbraw/zinc/57/40/13/569574013.db2.gz WJGHAUMWCXJDSF-IBGZPJMESA-N 0 0 439.972 5.198 50 0 IKAARN CC(=O)c1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)s1 ZINC000009945364 569574086 /nfs/dbraw/zinc/57/40/86/569574086.db2.gz YOUUNLLXJDLGOC-HXUWFJFHSA-N 0 0 431.561 5.060 50 0 IKAARN CC(=O)c1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)s1 ZINC000009945362 569574096 /nfs/dbraw/zinc/57/40/96/569574096.db2.gz YOUUNLLXJDLGOC-FQEVSTJZSA-N 0 0 431.561 5.060 50 0 IKAARN CCCC(=O)n1nc(NCc2cccc3ccccc32)nc1NCc1cccc2ccccc21 ZINC000009948704 569574128 /nfs/dbraw/zinc/57/41/28/569574128.db2.gz XFGSTWVKZJMSBL-UHFFFAOYSA-N 0 0 449.558 6.249 50 0 IKAARN O=C(Nc1ccc2nc(-c3cccc(NC(=O)c4ccccc4)c3)oc2c1)c1ccccc1 ZINC000009948882 569574146 /nfs/dbraw/zinc/57/41/46/569574146.db2.gz 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C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009950449 569574360 /nfs/dbraw/zinc/57/43/60/569574360.db2.gz YSJJVODPJBBMBO-KRWDZBQOSA-N 0 0 441.560 5.461 50 0 IKAARN COc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@@H]2CCCO2)cc1 ZINC000009951147 569574440 /nfs/dbraw/zinc/57/44/40/569574440.db2.gz YXGBDPXJPDYOHD-NRFANRHFSA-N 0 0 448.548 5.080 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009951409 569574534 /nfs/dbraw/zinc/57/45/34/569574534.db2.gz BUTNWJLGUKGIOV-UHFFFAOYSA-N 0 0 435.578 5.012 50 0 IKAARN COc1ccc([C@@H]2CCCN2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)c(OC)c1 ZINC000009952631 569574641 /nfs/dbraw/zinc/57/46/41/569574641.db2.gz BHTYNVTVRVYTCM-FQEVSTJZSA-N 0 0 446.507 5.054 50 0 IKAARN O=C(CCC(=O)c1cccs1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000009952725 569574662 /nfs/dbraw/zinc/57/46/62/569574662.db2.gz VGIVCVKUDQXPOW-SFHVURJKSA-N 0 0 436.964 5.794 50 0 IKAARN CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000009953127 569574682 /nfs/dbraw/zinc/57/46/82/569574682.db2.gz MJNSGTPBNLYRQO-UHFFFAOYSA-N 0 0 430.961 5.057 50 0 IKAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000071326373 569574863 /nfs/dbraw/zinc/57/48/63/569574863.db2.gz DDZOUSHRUJKKEK-UHFFFAOYSA-N 0 0 426.851 5.192 50 0 IKAARN CCc1ccccc1Nc1nc(C)c(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)s1 ZINC000071326563 569574892 /nfs/dbraw/zinc/57/48/92/569574892.db2.gz VLMVEUGSYPYDDT-CQSZACIVSA-N 0 0 425.554 5.266 50 0 IKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009958658 569574912 /nfs/dbraw/zinc/57/49/12/569574912.db2.gz LFPDGALQCJVWQH-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1OC ZINC000009958568 569574914 /nfs/dbraw/zinc/57/49/14/569574914.db2.gz QZRQNGHYNNWDHV-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000009958593 569574926 /nfs/dbraw/zinc/57/49/26/569574926.db2.gz VPDJFSBDRXGWRX-MRXNPFEDSA-N 0 0 430.460 5.100 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)cc1 ZINC000009958865 569574967 /nfs/dbraw/zinc/57/49/67/569574967.db2.gz LPCGFVXXKRANQB-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)c1 ZINC000009958762 569574968 /nfs/dbraw/zinc/57/49/68/569574968.db2.gz OLIZHNPREYDTGO-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)c1 ZINC000009958890 569574975 /nfs/dbraw/zinc/57/49/75/569574975.db2.gz PDRNPLJHTDGCBF-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)c1 ZINC000009958771 569574990 /nfs/dbraw/zinc/57/49/90/569574990.db2.gz PPXANLGROLBKDD-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000009959044 569575075 /nfs/dbraw/zinc/57/50/75/569575075.db2.gz DTMDFNCTOVWAKE-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)c1OC ZINC000009959246 569575112 /nfs/dbraw/zinc/57/51/12/569575112.db2.gz BEZWLVGPRFPWBP-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000009959263 569575125 /nfs/dbraw/zinc/57/51/25/569575125.db2.gz AZLWQBFPNZYJJP-UHFFFAOYSA-N 0 0 444.487 5.192 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)c(OC)c1 ZINC000009959292 569575126 /nfs/dbraw/zinc/57/51/26/569575126.db2.gz QDVMXWODJNQCOC-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3Cl)c2=O)c1 ZINC000009959562 569575154 /nfs/dbraw/zinc/57/51/54/569575154.db2.gz KJVFMOREAAUWAD-UHFFFAOYSA-N 0 0 448.931 5.077 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2F)c(=O)n1-c1ccc(Cl)cc1 ZINC000009959473 569575158 /nfs/dbraw/zinc/57/51/58/569575158.db2.gz DPZDBSSFHDTQEF-UHFFFAOYSA-N 0 0 436.895 5.208 50 0 IKAARN CCOc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000009959576 569575165 /nfs/dbraw/zinc/57/51/65/569575165.db2.gz MYBLJYKHBYALBA-UHFFFAOYSA-N 0 0 442.540 5.123 50 0 IKAARN CCCOc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 ZINC000009959949 569575276 /nfs/dbraw/zinc/57/52/76/569575276.db2.gz ASIURQUUGAZLMX-UHFFFAOYSA-N 0 0 438.524 5.598 50 0 IKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000071327539 569575311 /nfs/dbraw/zinc/57/53/11/569575311.db2.gz CUPVQKGONSIWLW-UHFFFAOYSA-N 0 0 443.391 5.810 50 0 IKAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000071327632 569575317 /nfs/dbraw/zinc/57/53/17/569575317.db2.gz ARDKGFMKOCINBN-UHFFFAOYSA-N 0 0 446.956 5.600 50 0 IKAARN COc1ccc(Cn2c(SCc3c(C)cc(C)cc3C)nc3ccsc3c2=O)cc1 ZINC000071327622 569575322 /nfs/dbraw/zinc/57/53/22/569575322.db2.gz ILYQNKWHTWGCKE-UHFFFAOYSA-N 0 0 436.602 5.732 50 0 IKAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000071327631 569575331 /nfs/dbraw/zinc/57/53/31/569575331.db2.gz GIUYVHRFBKBUMP-UHFFFAOYSA-N 0 0 446.956 5.600 50 0 IKAARN O=c1c2sccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc2c(c1)OCO2 ZINC000071327609 569575341 /nfs/dbraw/zinc/57/53/41/569575341.db2.gz PQXHWZYZNDITNN-UHFFFAOYSA-N 0 0 442.949 5.181 50 0 IKAARN C=Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000071327605 569575352 /nfs/dbraw/zinc/57/53/52/569575352.db2.gz KPTFYHXIJYVHOP-UHFFFAOYSA-N 0 0 434.542 5.170 50 0 IKAARN O=c1c2sccc2nc(SCc2cc(F)cc(F)c2)n1CCc1ccc(Cl)cc1 ZINC000071327660 569575357 /nfs/dbraw/zinc/57/53/57/569575357.db2.gz YMDQSZOOQPOPOJ-UHFFFAOYSA-N 0 0 448.947 5.925 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1CCc1ccc(Cl)cc1 ZINC000071327661 569575393 /nfs/dbraw/zinc/57/53/93/569575393.db2.gz CWKRSZDVFYGNQC-UHFFFAOYSA-N 0 0 447.412 6.300 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2)n1CCc1ccc(Cl)cc1 ZINC000071327659 569575400 /nfs/dbraw/zinc/57/54/00/569575400.db2.gz HLZSELIPXZRMFK-UHFFFAOYSA-N 0 0 430.957 5.786 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009960332 569575405 /nfs/dbraw/zinc/57/54/05/569575405.db2.gz VPNVPGCBTSHHAL-UHFFFAOYSA-N 0 0 432.476 5.182 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)N(C)c2cccc(C)c2)cc1 ZINC000071328062 569575471 /nfs/dbraw/zinc/57/54/71/569575471.db2.gz VSTJEBMOQHMDIL-UHFFFAOYSA-N 0 0 437.609 5.507 50 0 IKAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000009960982 569575479 /nfs/dbraw/zinc/57/54/79/569575479.db2.gz PSXVGNLXRKAJPN-QHCPKHFHSA-N 0 0 426.472 5.495 50 0 IKAARN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2 ZINC000009963315 569575742 /nfs/dbraw/zinc/57/57/42/569575742.db2.gz IIYIUMUEOGJMKV-QFIPXVFZSA-N 0 0 428.601 6.660 50 0 IKAARN Cc1ccc2c(c1)[C@@H](SCC(=O)NCCc1ccc(Cl)cc1)CC1(CCCCC1)O2 ZINC000009963326 569575790 /nfs/dbraw/zinc/57/57/90/569575790.db2.gz MIGJKLMDKKBIHG-QHCPKHFHSA-N 0 0 444.040 6.267 50 0 IKAARN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009963844 569575847 /nfs/dbraw/zinc/57/58/47/569575847.db2.gz DYMVSNSIRYRSKL-MJGOQNOKSA-N 0 0 449.620 5.118 50 0 IKAARN Cc1cccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)n2Cc2ccco2)c1 ZINC000009963771 569575850 /nfs/dbraw/zinc/57/58/50/569575850.db2.gz LKSNKKKUPQPFTP-UHFFFAOYSA-N 0 0 435.940 5.488 50 0 IKAARN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009963846 569575878 /nfs/dbraw/zinc/57/58/78/569575878.db2.gz DYMVSNSIRYRSKL-IEBWSBKVSA-N 0 0 449.620 5.118 50 0 IKAARN O=C([O-])c1c(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl ZINC000009968983 569575956 /nfs/dbraw/zinc/57/59/56/569575956.db2.gz XNLNIJNOGJGTIG-UHFFFAOYSA-N 0 0 448.906 5.060 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)OC3)cc1 ZINC000009968729 569575974 /nfs/dbraw/zinc/57/59/74/569575974.db2.gz NKVDBNYQNNPALF-UHFFFAOYSA-N 0 0 431.554 5.207 50 0 IKAARN C[C@H](C[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-])c1ccccc1 ZINC000009969016 569575987 /nfs/dbraw/zinc/57/59/87/569575987.db2.gz PJOXZQKOZCQTTH-GOSISDBHSA-N 0 0 432.951 5.935 50 0 IKAARN C[C@H]1CCCC[C@@H]1[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000009969076 569576013 /nfs/dbraw/zinc/57/60/13/569576013.db2.gz BIOCZPPVUHTBMY-BTYIYWSLSA-N 0 0 428.935 5.849 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3cc(C)ccc3C)c2C(=O)[O-])cc1 ZINC000009969042 569576036 /nfs/dbraw/zinc/57/60/36/569576036.db2.gz JBAIMJUFTVYGCR-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])[C@@H]1C ZINC000009969081 569576062 /nfs/dbraw/zinc/57/60/62/569576062.db2.gz TZYIHUYEHUQDFT-MCFFVMPBSA-N 0 0 442.962 6.095 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2SCC(=O)Nc2nccs2)cc1 ZINC000009969178 569576065 /nfs/dbraw/zinc/57/60/65/569576065.db2.gz WGWVQQRYMYMXBN-UHFFFAOYSA-N 0 0 440.525 5.079 50 0 IKAARN O=C([O-])c1c(C[NH2+]Cc2ccc(F)cc2)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009969065 569576067 /nfs/dbraw/zinc/57/60/67/569576067.db2.gz LOBLRQOFWHOUGI-UHFFFAOYSA-N 0 0 440.877 5.609 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3c(C[NH2+]CCc3ccc(Cl)cc3)c2C(=O)[O-])c1 ZINC000009969039 569576069 /nfs/dbraw/zinc/57/60/69/569576069.db2.gz LTRHJJZBKCPMBL-UHFFFAOYSA-N 0 0 446.978 5.990 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000009969686 569576096 /nfs/dbraw/zinc/57/60/96/569576096.db2.gz WGOXKSRNZVWHKS-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2cccc(C)c2)cc1 ZINC000009969723 569576099 /nfs/dbraw/zinc/57/60/99/569576099.db2.gz FQMHDIIBXSXCNI-UHFFFAOYSA-N 0 0 440.587 5.986 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000009969890 569576137 /nfs/dbraw/zinc/57/61/37/569576137.db2.gz KABBUAFYHAXNHH-UHFFFAOYSA-N 0 0 444.535 5.187 50 0 IKAARN CC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)cc1 ZINC000009970165 569576162 /nfs/dbraw/zinc/57/61/62/569576162.db2.gz ZMIXEKBBPLFJJJ-HSZRJFAPSA-N 0 0 430.529 5.098 50 0 IKAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)N[C@@H]1CCCc2ccccc21 ZINC000009969940 569576179 /nfs/dbraw/zinc/57/61/79/569576179.db2.gz OVTMUTXNDINYJN-XMMPIXPASA-N 0 0 443.978 6.331 50 0 IKAARN CC1(C)Cc2ccccc2C(CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)=N1 ZINC000009972065 569576333 /nfs/dbraw/zinc/57/63/33/569576333.db2.gz 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Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3cccnc3)n2C2CC2)c2ccc(C)cc2)cc1 ZINC000009984741 569576665 /nfs/dbraw/zinc/57/66/65/569576665.db2.gz RRPFBWPJEMWEHP-DEOSSOPVSA-N 0 0 440.572 6.008 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccccc1F ZINC000009989002 569576889 /nfs/dbraw/zinc/57/68/89/569576889.db2.gz QVQYSLIKJUETCP-UHFFFAOYSA-N 0 0 430.574 5.306 50 0 IKAARN CCN(CC)C(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000009994669 569576924 /nfs/dbraw/zinc/57/69/24/569576924.db2.gz LPCBKVKUKSKMQD-INIZCTEOSA-N 0 0 447.044 6.287 50 0 IKAARN CCCCS(=O)(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2c1N ZINC000009993064 569576927 /nfs/dbraw/zinc/57/69/27/569576927.db2.gz JZDRFTBETYZEDC-UHFFFAOYSA-N 0 0 436.602 6.095 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3Cl)oc2c(C)c1 ZINC000009993508 569576942 /nfs/dbraw/zinc/57/69/42/569576942.db2.gz NMBBVIUFVOCNPA-UHFFFAOYSA-N 0 0 434.923 6.399 50 0 IKAARN C[C@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@@H](C(C)(C)C)CC3)C1 ZINC000009994720 569577009 /nfs/dbraw/zinc/57/70/09/569577009.db2.gz ULBRUAFQJPRXNY-HOTGVXAUSA-N 0 0 444.666 6.085 50 0 IKAARN C[C@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2ccccc2)C[C@@H](C(C)(C)C)CC3)C1 ZINC000009994711 569577012 /nfs/dbraw/zinc/57/70/12/569577012.db2.gz WHHNCYSMALZNNE-HKUYNNGSSA-N 0 0 438.637 6.024 50 0 IKAARN CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O ZINC000010013977 569577129 /nfs/dbraw/zinc/57/71/29/569577129.db2.gz WQLTXQFENUHOBO-UHFFFAOYSA-N 0 0 441.011 7.754 50 0 IKAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C1CCCCC1 ZINC000010014799 569577140 /nfs/dbraw/zinc/57/71/40/569577140.db2.gz NAWHMALTZYVKGM-UHFFFAOYSA-N 0 0 432.899 5.495 50 0 IKAARN C[C@H]1CCCC[C@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000010021538 569577172 /nfs/dbraw/zinc/57/71/72/569577172.db2.gz WOYHKAGYIMSXER-HTAPYJJXSA-N 0 0 447.608 5.311 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000010034935 569577378 /nfs/dbraw/zinc/57/73/78/569577378.db2.gz NPCJBVDENGLTAC-UHFFFAOYSA-N 0 0 438.549 5.064 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1NC(=O)N[C@H](C)c1cccs1 ZINC000010035398 569577392 /nfs/dbraw/zinc/57/73/92/569577392.db2.gz MROFKNGAAKLGKK-LSDHHAIUSA-N 0 0 428.583 5.883 50 0 IKAARN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4Cl)c3)oc2c1 ZINC000010035194 569577406 /nfs/dbraw/zinc/57/74/06/569577406.db2.gz BNMMSIQVBRGSDZ-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(Cl)s3)nc2c1 ZINC000010061418 569577600 /nfs/dbraw/zinc/57/76/00/569577600.db2.gz IUKGTZQPAYDOLO-UHFFFAOYSA-N 0 0 429.954 5.191 50 0 IKAARN CSc1cccc2sc(N(CCc3cccs3)C(=O)CCc3ccccc3)nc21 ZINC000010097347 569577787 /nfs/dbraw/zinc/57/77/87/569577787.db2.gz VVRACFFWFDLOPQ-UHFFFAOYSA-N 0 0 438.643 6.288 50 0 IKAARN CCOc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(OCC)c1OCC ZINC000010109567 569577920 /nfs/dbraw/zinc/57/79/20/569577920.db2.gz BSTBNCWEICTNKV-GOSISDBHSA-N 0 0 440.565 5.470 50 0 IKAARN CCOc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OCC)c1OCC ZINC000010109568 569577968 /nfs/dbraw/zinc/57/79/68/569577968.db2.gz BSTBNCWEICTNKV-SFHVURJKSA-N 0 0 440.565 5.470 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000010142089 569578123 /nfs/dbraw/zinc/57/81/23/569578123.db2.gz ZMDHLUQRBMDDRE-RBUKOAKNSA-N 0 0 449.620 5.130 50 0 IKAARN COc1ccccc1-c1noc(CNc2ccc(Br)c(C(F)(F)F)c2)n1 ZINC000010169822 569578284 /nfs/dbraw/zinc/57/82/84/569578284.db2.gz MPPQDHWOBDPWBA-UHFFFAOYSA-N 0 0 428.208 5.139 50 0 IKAARN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000010186555 569578353 /nfs/dbraw/zinc/57/83/53/569578353.db2.gz KGMAZMQDGVHGGW-UHFFFAOYSA-N 0 0 441.384 5.104 50 0 IKAARN O=C(c1cccc(Br)c1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000010187581 569578588 /nfs/dbraw/zinc/57/85/88/569578588.db2.gz CSYMLHJPBLOBPO-UHFFFAOYSA-N 0 0 442.313 5.440 50 0 IKAARN COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(s2)c(C)ccc3C)c1OC ZINC000010187662 569578632 /nfs/dbraw/zinc/57/86/32/569578632.db2.gz QKZMQFLFJJUQGK-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000010187697 569578646 /nfs/dbraw/zinc/57/86/46/569578646.db2.gz GXFZXAXSJLJNGD-UHFFFAOYSA-N 0 0 435.936 5.703 50 0 IKAARN CCCCN(C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1 ZINC000010188192 569578815 /nfs/dbraw/zinc/57/88/15/569578815.db2.gz ROQPNMASBRCDGY-UHFFFAOYSA-N 0 0 445.950 5.545 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000010212814 569578965 /nfs/dbraw/zinc/57/89/65/569578965.db2.gz GACPTEMBUNMLQZ-HNNXBMFYSA-N 0 0 443.507 5.163 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000010212815 569578993 /nfs/dbraw/zinc/57/89/93/569578993.db2.gz GACPTEMBUNMLQZ-OAHLLOKOSA-N 0 0 443.507 5.163 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000010213675 569579054 /nfs/dbraw/zinc/57/90/54/569579054.db2.gz OWCFHUYOEKVDSI-UHFFFAOYSA-N 0 0 434.923 5.623 50 0 IKAARN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1NC(=O)c1ccco1 ZINC000010215238 569579214 /nfs/dbraw/zinc/57/92/14/569579214.db2.gz YJGYYWPHWQMTAU-IBGZPJMESA-N 0 0 431.517 5.427 50 0 IKAARN O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000010222573 569579246 /nfs/dbraw/zinc/57/92/46/569579246.db2.gz PDRLPWYMVFJBEN-UHFFFAOYSA-N 0 0 449.378 5.508 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc43)CC2)c(Br)c1 ZINC000010225116 569579296 /nfs/dbraw/zinc/57/92/96/569579296.db2.gz XIKDIKZHMZWUCZ-INIZCTEOSA-N 0 0 440.385 5.445 50 0 IKAARN COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc3ccccc32)c1 ZINC000010232996 569579375 /nfs/dbraw/zinc/57/93/75/569579375.db2.gz IDBNGKHBCYVOQW-UHFFFAOYSA-N 0 0 437.520 6.343 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nncn1-c1ccccc1C ZINC000010244790 569579756 /nfs/dbraw/zinc/57/97/56/569579756.db2.gz RZJBYJGAVBIDDI-UHFFFAOYSA-N 0 0 443.016 5.865 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000010245771 569579762 /nfs/dbraw/zinc/57/97/62/569579762.db2.gz NZEWOHIVBRCQJV-UHFFFAOYSA-N 0 0 444.443 5.065 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1OC ZINC000010246674 569579766 /nfs/dbraw/zinc/57/97/66/569579766.db2.gz SABKGDAXQZZZOO-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000010251305 569579851 /nfs/dbraw/zinc/57/98/51/569579851.db2.gz WDVVYUDYSUDGGZ-GFCCVEGCSA-N 0 0 434.348 5.369 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1C ZINC000010253644 569579951 /nfs/dbraw/zinc/57/99/51/569579951.db2.gz RNKVJDOSQVTCET-UHFFFAOYSA-N 0 0 441.922 6.622 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000010253720 569579967 /nfs/dbraw/zinc/57/99/67/569579967.db2.gz XCXXAJRNYVCRLE-UHFFFAOYSA-N 0 0 427.895 6.313 50 0 IKAARN Cc1cccn2cc(-c3ccc(NC(=O)C4c5ccccc5Oc5ccccc54)cc3)nc12 ZINC000010272028 569580118 /nfs/dbraw/zinc/58/01/18/569580118.db2.gz HDVYXZHNBUZJPP-UHFFFAOYSA-N 0 0 431.495 6.186 50 0 IKAARN C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000010273605 569580294 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IKAARN COc1cccc(NCc2nnc(SC[C@H](O)c3ccccc3)n2C2CCCCC2)c1 ZINC000010373318 569581537 /nfs/dbraw/zinc/58/15/37/569581537.db2.gz OQZMRSIPISDYQS-QFIPXVFZSA-N 0 0 438.597 5.230 50 0 IKAARN CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc21 ZINC000010381548 569581593 /nfs/dbraw/zinc/58/15/93/569581593.db2.gz HSUSAKBLJXRJJM-UHFFFAOYSA-N 0 0 446.985 5.344 50 0 IKAARN O=C(c1ccc(Cl)s1)N(CCCn1ccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000010381588 569581723 /nfs/dbraw/zinc/58/17/23/569581723.db2.gz CACOICCVPPAYJS-UHFFFAOYSA-N 0 0 438.912 5.223 50 0 IKAARN CSc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000010433577 569582115 /nfs/dbraw/zinc/58/21/15/569582115.db2.gz HWYYORYLRXLLLJ-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCC[C@@H]1Cc1cccc2ccccc21 ZINC000071845483 569582335 /nfs/dbraw/zinc/58/23/35/569582335.db2.gz KORNTTYATKFLDI-HSZRJFAPSA-N 0 0 433.983 5.338 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)N2CCCCCC2)nn1 ZINC000010456040 569582337 /nfs/dbraw/zinc/58/23/37/569582337.db2.gz MZPFKJWNOOOSSM-UHFFFAOYSA-N 0 0 442.585 5.209 50 0 IKAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000071844262 569582360 /nfs/dbraw/zinc/58/23/60/569582360.db2.gz OUOKRJNWCFKZBA-WIYYLYMNSA-N 0 0 436.577 5.626 50 0 IKAARN O=C(Cn1cc(SCc2ccc(Cl)c(Cl)c2)c2ccccc21)N1CCOCC1 ZINC000010458115 569582419 /nfs/dbraw/zinc/58/24/19/569582419.db2.gz WASYRCCBBNGHBS-UHFFFAOYSA-N 0 0 435.376 5.099 50 0 IKAARN O=C(Cn1cc(SCc2ccc(Cl)cc2Cl)c2ccccc21)N1CCOCC1 ZINC000010458122 569582425 /nfs/dbraw/zinc/58/24/25/569582425.db2.gz UUDJRFCKUVBEOK-UHFFFAOYSA-N 0 0 435.376 5.099 50 0 IKAARN FC(F)(F)c1cccc(N=c2oc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000242425520 569583012 /nfs/dbraw/zinc/58/30/12/569583012.db2.gz BMXMFNQUFAOTEZ-UHFFFAOYSA-N 0 0 449.354 6.841 50 0 IKAARN O=C(c1ccc(F)cc1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 ZINC000575443678 569584071 /nfs/dbraw/zinc/58/40/71/569584071.db2.gz YDDFIJQIYJAJSL-UHFFFAOYSA-N 0 0 441.293 6.505 50 0 IKAARN COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1 ZINC000009359679 569584476 /nfs/dbraw/zinc/58/44/76/569584476.db2.gz IJLFMAADIUHJLK-UHFFFAOYSA-N 0 0 437.499 5.529 50 0 IKAARN COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000009379876 569584485 /nfs/dbraw/zinc/58/44/85/569584485.db2.gz RKMKDJZSEPWJJF-UHFFFAOYSA-N 0 0 443.547 5.674 50 0 IKAARN CCOc1cc(C(=O)N(CCc2cccs2)Cc2ccco2)cc(OCC)c1OCC ZINC000077183976 569585874 /nfs/dbraw/zinc/58/58/74/569585874.db2.gz SHKPNMVYTHNHIT-UHFFFAOYSA-N 0 0 443.565 5.422 50 0 IKAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077197940 569586204 /nfs/dbraw/zinc/58/62/04/569586204.db2.gz IAUMBGFQTWFVLO-CYBMUJFWSA-N 0 0 440.525 5.081 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1(c2nc(-c3ccncc3)no2)CCCCC1 ZINC000077197436 569586241 /nfs/dbraw/zinc/58/62/41/569586241.db2.gz NIPKJLGVNTWCTC-UHFFFAOYSA-N 0 0 431.418 5.132 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)nc(C(C)C)n1 ZINC000078404498 569586621 /nfs/dbraw/zinc/58/66/21/569586621.db2.gz CDDGRYDLQSUKGY-UHFFFAOYSA-N 0 0 440.613 5.044 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCn3c4ccccc4sc3=S)c3ccccc3n2)cc1 ZINC000036612554 569586841 /nfs/dbraw/zinc/58/68/41/569586841.db2.gz HFRKVLUHEYFCCT-UHFFFAOYSA-N 0 0 442.565 6.770 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(C(C)=O)cc1)[C@@H]2c1ccccc1 ZINC000021045606 569587165 /nfs/dbraw/zinc/58/71/65/569587165.db2.gz IWYDHRGHVKOWIM-RUZDIDTESA-N 0 0 432.589 5.408 50 0 IKAARN Cc1ccccc1[C@@]1(c2ccccc2)OC(=O)[C@](c2ccccc2)(c2ccccc2C)OC1=O ZINC000025694520 569587267 /nfs/dbraw/zinc/58/72/67/569587267.db2.gz NSFZKXVDYVHTBV-RNPORBBMSA-N 0 0 448.518 5.591 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1 ZINC000033130354 569587338 /nfs/dbraw/zinc/58/73/38/569587338.db2.gz XBGRXLOBAPXFPO-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN CC(C)c1ccc(N2CC(=O)C(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)=C2N)cc1 ZINC000034769856 569587611 /nfs/dbraw/zinc/58/76/11/569587611.db2.gz XZOOITKJDIWGGM-UHFFFAOYSA-N 0 0 443.494 5.669 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000004062194 574412172 /nfs/dbraw/zinc/41/21/72/574412172.db2.gz XUGISPSHIFXEHZ-DRRIYRHGSA-N 0 0 428.701 7.960 50 0 endogenous,in-man IKAARN CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000004097717 290692258 /nfs/dbraw/zinc/69/22/58/290692258.db2.gz NJICGAVMYWKCMW-GWJXCKMPSA-N 0 0 442.728 7.738 50 0 biogenic,in-vitro IKAARN Cc1sc2nc(SCC(=O)Nc3ccc4c(c3)oc3ccccc34)n(C)c(=O)c2c1C ZINC000015226425 121530706 /nfs/dbraw/zinc/53/07/06/121530706.db2.gz GXFIUFNEILNEKM-UHFFFAOYSA-N 0 0 449.557 5.242 50 0 IKAARN Cc1sc2nc(SCc3ccc(Cl)cc3)n(Cc3cccnc3)c(=O)c2c1C ZINC000017095674 121764169 /nfs/dbraw/zinc/76/41/69/121764169.db2.gz OLRJWVDRAIARDL-UHFFFAOYSA-N 0 0 427.982 5.464 50 0 IKAARN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000253527799 291387819 /nfs/dbraw/zinc/38/78/19/291387819.db2.gz CAHGCLMLTWQZNJ-XZJSCSIZSA-N 0 0 426.729 8.479 50 0 biogenic,in-vitro IKAARN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1Br ZINC000000623791 193860207 /nfs/dbraw/zinc/86/02/07/193860207.db2.gz WMPJZEJLEICCQH-UHFFFAOYSA-N 0 0 427.689 5.089 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-c3nnc(SCc4ccccc4F)n3C)cc2)cc1 ZINC000000624575 193860598 /nfs/dbraw/zinc/86/05/98/193860598.db2.gz SAYBEVFNDMBWOB-UHFFFAOYSA-N 0 0 432.524 5.474 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H](Cn1cncn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000630061 193863004 /nfs/dbraw/zinc/86/30/04/193863004.db2.gz MCKCPBXNNGDCBE-VWNXMTODSA-N 0 0 433.964 5.964 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3cccs3)n2-c2ccc(Cl)cc2)cc1 ZINC000000644016 193868803 /nfs/dbraw/zinc/86/88/03/193868803.db2.gz ITOIVFWPTADIEX-UHFFFAOYSA-N 0 0 441.965 5.633 50 0 IKAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)c2cccnc2)C[C@@H](C(C)(C)C)CC3)c1 ZINC000000644019 193868849 /nfs/dbraw/zinc/86/88/49/193868849.db2.gz XJYCGQXVCCMWTE-SFHVURJKSA-N 0 0 447.604 6.107 50 0 IKAARN Cc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000646582 193870144 /nfs/dbraw/zinc/87/01/44/193870144.db2.gz ZZYOUNBTUCHNQD-HNNXBMFYSA-N 0 0 431.483 5.268 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)cc1C ZINC000000645594 193869892 /nfs/dbraw/zinc/86/98/92/193869892.db2.gz MYLKLMJLAAHORC-UHFFFAOYSA-N 0 0 425.550 5.450 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCc2ccccc21 ZINC000000646584 193870191 /nfs/dbraw/zinc/87/01/91/193870191.db2.gz CPTCBJCKCGVDGJ-CQSZACIVSA-N 0 0 429.467 5.232 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000000648602 193871189 /nfs/dbraw/zinc/87/11/89/193871189.db2.gz QNIZMDFMOSNDGT-UHFFFAOYSA-N 0 0 442.588 5.460 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc5c(c4)CCC5)c3n2)cc1 ZINC000000649118 193871385 /nfs/dbraw/zinc/87/13/85/193871385.db2.gz FQDXOCYSRZMMND-UHFFFAOYSA-N 0 0 434.446 5.084 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C)c(F)c4)c3n2)cc1 ZINC000000649107 193871530 /nfs/dbraw/zinc/87/15/30/193871530.db2.gz PZYGQYIZULTWAT-UHFFFAOYSA-N 0 0 426.398 5.042 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3n2)cc1C ZINC000000650832 193872113 /nfs/dbraw/zinc/87/21/13/193872113.db2.gz JPSBVBPWQQLACR-ZIAGYGMSSA-N 0 0 430.474 5.150 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000000649702 193871690 /nfs/dbraw/zinc/87/16/90/193871690.db2.gz KHZIZHYCVJEZPT-UHFFFAOYSA-N 0 0 439.562 5.503 50 0 IKAARN O=C(NC1CCCCC1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000000654200 193873940 /nfs/dbraw/zinc/87/39/40/193873940.db2.gz FVPQSEWUSCCWGC-UHFFFAOYSA-N 0 0 428.867 5.193 50 0 IKAARN COc1ccc(/C=C2\NC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1COc1ccccc1 ZINC000000655690 193874772 /nfs/dbraw/zinc/87/47/72/193874772.db2.gz YAKAUQVPFDYFHK-PAJXCOJRSA-N 0 0 444.556 5.093 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2F)sc2nc3c(c(C(F)(F)F)c12)CCCC3 ZINC000000664044 193877430 /nfs/dbraw/zinc/87/74/30/193877430.db2.gz PUBICAWVWIICCY-UHFFFAOYSA-N 0 0 427.398 5.307 50 0 IKAARN Cc1cccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccncc2)c1 ZINC000000664066 193877358 /nfs/dbraw/zinc/87/73/58/193877358.db2.gz NCKLFMLQRGJSMG-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)c2C(=O)OC)C1 ZINC000006119501 193879750 /nfs/dbraw/zinc/87/97/50/193879750.db2.gz MFHAQRDSARVITJ-HFQYIWAZSA-N 0 0 425.594 5.999 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000006142034 193881483 /nfs/dbraw/zinc/88/14/83/193881483.db2.gz NKZOYENOQYQDDG-UHFFFAOYSA-N 0 0 439.596 6.375 50 0 IKAARN CSc1nc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)cc2s1 ZINC000006182225 193889044 /nfs/dbraw/zinc/88/90/44/193889044.db2.gz FCIBBXJQEJPCQF-UHFFFAOYSA-N 0 0 428.542 5.881 50 0 IKAARN CCc1ccccc1NC(=O)CN1c2ccc(Cl)cc2C(c2ccccc2)=N[C@H](C)C1=O ZINC000009834127 193900836 /nfs/dbraw/zinc/90/08/36/193900836.db2.gz DKFZRNVLVOCNEW-QGZVFWFLSA-N 0 0 445.950 5.114 50 0 IKAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000009834199 193900865 /nfs/dbraw/zinc/90/08/65/193900865.db2.gz MMBCBNVYWBVYBM-UHFFFAOYSA-N 0 0 445.475 5.002 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c4ccccc4oc3c2=O)cc1 ZINC000009834288 193901067 /nfs/dbraw/zinc/90/10/67/193901067.db2.gz CZTHZIKVSKJEQL-UHFFFAOYSA-N 0 0 441.512 5.171 50 0 IKAARN COc1cc(OC)c(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1Cl ZINC000009835287 193901653 /nfs/dbraw/zinc/90/16/53/193901653.db2.gz HBJSLFFGVBAUBK-QFIPXVFZSA-N 0 0 443.330 5.777 50 0 IKAARN Cc1nc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)nn1-c1ccc(Cl)cc1 ZINC000009835674 193902024 /nfs/dbraw/zinc/90/20/24/193902024.db2.gz YWWZBZDJFKTFQF-IBGZPJMESA-N 0 0 440.981 5.140 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2o1 ZINC000009846216 193904608 /nfs/dbraw/zinc/90/46/08/193904608.db2.gz HGNVXULVNPLIML-UHFFFAOYSA-N 0 0 447.903 6.021 50 0 IKAARN C[C@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000009833314 193899669 /nfs/dbraw/zinc/89/96/69/193899669.db2.gz GPGZLALJAXDTHX-LJQANCHMSA-N 0 0 446.978 6.152 50 0 IKAARN C[C@H](Nc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12)c1ccccc1 ZINC000009858847 193910087 /nfs/dbraw/zinc/91/00/87/193910087.db2.gz UPRVUDTWTIAJKT-HNNXBMFYSA-N 0 0 444.336 5.880 50 0 IKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(OC)c2OC)cc1O ZINC000019759896 193912534 /nfs/dbraw/zinc/91/25/34/193912534.db2.gz ALEVDHHHSWALGG-AREMUKBSSA-N 0 0 444.531 5.047 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(C(C)=O)c2)c1OC ZINC000019772270 193918100 /nfs/dbraw/zinc/91/81/00/193918100.db2.gz HYLQPRGSYLXKKM-HHHXNRCGSA-N 0 0 440.543 5.535 50 0 IKAARN Clc1ccc(/C=C2\CCCc3c2nn(-c2ccccc2)c3-c2ccc(Cl)cc2)cc1 ZINC000051330350 193925368 /nfs/dbraw/zinc/92/53/68/193925368.db2.gz LWQKSUOILIJMRF-LVZFUZTISA-N 0 0 431.366 7.723 50 0 IKAARN O[C@H](Cn1c2ccccc2nc1C(F)(F)F)CN1c2ccccc2Sc2ccccc21 ZINC000054297377 193930277 /nfs/dbraw/zinc/93/02/77/193930277.db2.gz GTXIINRRKULIDE-HNNXBMFYSA-N 0 0 441.478 5.719 50 0 IKAARN CC(C)CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 ZINC000096275869 193951814 /nfs/dbraw/zinc/95/18/14/193951814.db2.gz ILWXZMHVROFHIW-UHFFFAOYSA-N 0 0 435.543 5.244 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)Nc1ccccc1 ZINC000096276277 193952236 /nfs/dbraw/zinc/95/22/36/193952236.db2.gz MUYYYVLJKRXEBD-IBGZPJMESA-N 0 0 432.907 5.753 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1)NCc1ccco1 ZINC000096276377 193952650 /nfs/dbraw/zinc/95/26/50/193952650.db2.gz GMMOAXDODKDQJC-INIZCTEOSA-N 0 0 447.749 6.560 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Oc2ccccc2)c1 ZINC000096276777 193952981 /nfs/dbraw/zinc/95/29/81/193952981.db2.gz GFPYPWNOUZEIIO-HSZRJFAPSA-N 0 0 446.978 6.908 50 0 IKAARN Brc1ccc2nc(N3CCN(c4ccccc4)CC3)nc(-c3ccccc3)c2c1 ZINC000000655356 532967229 /nfs/dbraw/zinc/96/72/29/532967229.db2.gz QTNWSGNGHVJGSG-UHFFFAOYSA-N 0 0 445.364 5.386 50 0 IKAARN CCc1ccccc1N1COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc3c2C1 ZINC000008991154 132225380 /nfs/dbraw/zinc/22/53/80/132225380.db2.gz BEYYMDWGMJPJTR-UHFFFAOYSA-N 0 0 443.499 5.396 50 0 biogenic IKAARN COc1ccccc1-c1coc2c(ccc3c2CN(c2ccc(F)c(Cl)c2)CO3)c1=O ZINC000009423021 132225415 /nfs/dbraw/zinc/22/54/15/132225415.db2.gz BBBDIFJEJFWSDM-UHFFFAOYSA-N 0 0 437.854 5.618 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C ZINC000009137533 132226802 /nfs/dbraw/zinc/22/68/02/132226802.db2.gz WINRXOIUOBIULM-UHFFFAOYSA-N 0 0 437.927 5.491 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000000642544 132228286 /nfs/dbraw/zinc/22/82/86/132228286.db2.gz OZWPXFFEVHMEPO-UHFFFAOYSA-N 0 0 426.545 5.006 50 0 IKAARN COc1ccccc1N1CCN(C(=O)c2cccnc2Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000000643614 132228330 /nfs/dbraw/zinc/22/83/30/132228330.db2.gz CGWBONMVZZTJBB-UHFFFAOYSA-N 0 0 445.563 5.142 50 0 IKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000000671868 132228926 /nfs/dbraw/zinc/22/89/26/132228926.db2.gz FQONFCIHOCHMHT-UHFFFAOYSA-N 0 0 427.935 5.518 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccccc3n2)o1 ZINC000000671664 132228933 /nfs/dbraw/zinc/22/89/33/132228933.db2.gz DWZALBFLGAASAF-UHFFFAOYSA-N 0 0 431.923 5.419 50 0 IKAARN O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(Br)cc1 ZINC000000675399 132228951 /nfs/dbraw/zinc/22/89/51/132228951.db2.gz XCOQWTNPSAMKMA-UHFFFAOYSA-N 0 0 435.321 5.393 50 0 IKAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000711299 132229653 /nfs/dbraw/zinc/22/96/53/132229653.db2.gz AGVDWCAADKSCNT-UHFFFAOYSA-N 0 0 436.489 5.325 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000000725715 132229830 /nfs/dbraw/zinc/22/98/30/132229830.db2.gz CVIRNRVIYGCZGX-DFBJGRDBSA-N 0 0 430.523 6.139 50 0 IKAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000000738585 132229967 /nfs/dbraw/zinc/22/99/67/132229967.db2.gz OICLLQXFEJIPSV-UHFFFAOYSA-N 0 0 449.554 5.363 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@@H]1C ZINC000000797192 132230618 /nfs/dbraw/zinc/23/06/18/132230618.db2.gz QYWZBVFNLPJBNN-FNZWTVRRSA-N 0 0 442.559 6.009 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000000815271 132231010 /nfs/dbraw/zinc/23/10/10/132231010.db2.gz FRYWVQCGKGGVPI-CQSZACIVSA-N 0 0 436.437 5.455 50 0 IKAARN CCOc1cccc2c1N(C(=O)c1cccc(OC)c1)C(C)(C)c1ssc(=S)c1-2 ZINC000000823988 132231180 /nfs/dbraw/zinc/23/11/80/132231180.db2.gz OYJWDZMIFUFGGU-UHFFFAOYSA-N 0 0 443.615 6.509 50 0 IKAARN COc1cc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000000849824 132231552 /nfs/dbraw/zinc/23/15/52/132231552.db2.gz QFIXBHWXPCSEAH-LAUBAEHRSA-N 0 0 432.520 5.305 50 0 IKAARN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21 ZINC000000844973 132231568 /nfs/dbraw/zinc/23/15/68/132231568.db2.gz DHEJKQAMGCMRHF-UHFFFAOYSA-N 0 0 440.400 5.147 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009464478 132231912 /nfs/dbraw/zinc/23/19/12/132231912.db2.gz DVPRUXPWKAJELM-HXUWFJFHSA-N 0 0 448.617 5.463 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2)o1)N1c2ccccc2Sc2ccccc21 ZINC000000876465 132232111 /nfs/dbraw/zinc/23/21/11/132232111.db2.gz KVBBOXPINFEYEF-UHFFFAOYSA-N 0 0 447.541 5.570 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C ZINC000000898900 132233618 /nfs/dbraw/zinc/23/36/18/132233618.db2.gz BOWKEENIZXXJPN-CLOONOSVSA-N 0 0 430.523 6.139 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)o1 ZINC000009549961 132233647 /nfs/dbraw/zinc/23/36/47/132233647.db2.gz JURBBBSQSJKITP-OAQYLSRUSA-N 0 0 443.528 5.304 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCc2ccccc21 ZINC000000901015 132233820 /nfs/dbraw/zinc/23/38/20/132233820.db2.gz SUURSINTCWOPFE-OAHLLOKOSA-N 0 0 443.494 5.622 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)o1)N1c2ccccc2Sc2ccccc21 ZINC000000915412 132234001 /nfs/dbraw/zinc/23/40/01/132234001.db2.gz MAJWVNPFKFBUMC-UHFFFAOYSA-N 0 0 431.542 5.582 50 0 IKAARN COc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCCCC3)n2)cc1 ZINC000000974346 132236433 /nfs/dbraw/zinc/23/64/33/132236433.db2.gz OFAOSDOSGWXHHF-UHFFFAOYSA-N 0 0 444.461 5.377 50 0 IKAARN COc1ccc2nc(SC(=O)N3c4ccccc4Sc4ccccc43)nc(C)c2c1 ZINC000001144237 132237199 /nfs/dbraw/zinc/23/71/99/132237199.db2.gz FVDSGPTZXKMMAW-UHFFFAOYSA-N 0 0 431.542 6.462 50 0 IKAARN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 ZINC000001148513 132237501 /nfs/dbraw/zinc/23/75/01/132237501.db2.gz ASZRHXKUEMHBKN-UHFFFAOYSA-N 0 0 434.546 5.480 50 0 IKAARN O=C(CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)N1CCCc2ccccc21 ZINC000001183081 132238854 /nfs/dbraw/zinc/23/88/54/132238854.db2.gz NAIQWLRNAVMFOD-UHFFFAOYSA-N 0 0 445.975 6.022 50 0 IKAARN COc1ccc(OCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000001202338 132239446 /nfs/dbraw/zinc/23/94/46/132239446.db2.gz QOVKFOAKVZOGIG-UHFFFAOYSA-N 0 0 431.435 5.922 50 0 IKAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2)N1CCCc2ccccc21 ZINC000001213004 132240031 /nfs/dbraw/zinc/24/00/31/132240031.db2.gz AWVSYPBCFRZYQT-PXNSSMCTSA-N 0 0 426.442 5.136 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccccc1OC ZINC000001217455 132240125 /nfs/dbraw/zinc/24/01/25/132240125.db2.gz FWCFMLDTRDRICU-UHFFFAOYSA-N 0 0 429.588 6.119 50 0 IKAARN C[C@H]1C[C@@H](N(C(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F ZINC000001231047 132240372 /nfs/dbraw/zinc/24/03/72/132240372.db2.gz KCPQVHRXMBHNNK-BLLLJJGKSA-N 0 0 430.348 5.011 50 0 IKAARN COc1ccc(C(=O)N2c3ccc(OC(=O)c4ccccc4)cc3C(C)=CC2(C)C)cc1 ZINC000001305884 132241371 /nfs/dbraw/zinc/24/13/71/132241371.db2.gz HVYNWKTUZNHRKE-UHFFFAOYSA-N 0 0 427.500 5.757 50 0 IKAARN C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381825 132244500 /nfs/dbraw/zinc/24/45/00/132244500.db2.gz TYCHKPWSLCUDRC-HNNXBMFYSA-N 0 0 425.315 5.576 50 0 IKAARN C[C@@H]1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385965 132244622 /nfs/dbraw/zinc/24/46/22/132244622.db2.gz LFTYTOOUFCVVQJ-CQSZACIVSA-N 0 0 443.305 5.715 50 0 IKAARN C[C@H]1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385964 132244672 /nfs/dbraw/zinc/24/46/72/132244672.db2.gz LFTYTOOUFCVVQJ-AWEZNQCLSA-N 0 0 443.305 5.715 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000001421222 132245259 /nfs/dbraw/zinc/24/52/59/132245259.db2.gz KEQZQEINAJSDLJ-UHFFFAOYSA-N 0 0 433.017 5.207 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000001447688 132245593 /nfs/dbraw/zinc/24/55/93/132245593.db2.gz NHWRQMWDRHZODD-ROUUACIJSA-N 0 0 432.955 5.663 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000001447745 132245612 /nfs/dbraw/zinc/24/56/12/132245612.db2.gz JZHYGSMCUBOIET-OALUTQOASA-N 0 0 428.536 5.100 50 0 IKAARN c1c(-c2ccccc2)c2c(ncnc2N2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000001447545 132245629 /nfs/dbraw/zinc/24/56/29/132245629.db2.gz QCRHCZOPSIUTBW-UHFFFAOYSA-N 0 0 431.543 5.414 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000001759848 132246626 /nfs/dbraw/zinc/24/66/26/132246626.db2.gz FESBAMQBMONVEG-LVXARBLLSA-N 0 0 426.560 6.390 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1c1ccccc1 ZINC000001773781 132246634 /nfs/dbraw/zinc/24/66/34/132246634.db2.gz KVFANBGLKPWKJC-SANMLTNESA-N 0 0 440.930 6.690 50 0 IKAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(N4CCCCC4)cc3)c2c1 ZINC000001775643 132246646 /nfs/dbraw/zinc/24/66/46/132246646.db2.gz LVSNRJNDUGSOEW-UHFFFAOYSA-N 0 0 447.535 5.322 50 0 IKAARN Cc1ccc(N2SC(Cl)(Cl)N(c3ccc(C)cc3)SC2(Cl)Cl)cc1 ZINC000001760523 132246650 /nfs/dbraw/zinc/24/66/50/132246650.db2.gz UUILSIQOYGCVPZ-UHFFFAOYSA-N 0 0 440.248 7.104 50 0 IKAARN CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000001817799 132247041 /nfs/dbraw/zinc/24/70/41/132247041.db2.gz KQHQCJSMZUACPU-HXUWFJFHSA-N 0 0 425.351 5.942 50 0 IKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSC1=NCCS1 ZINC000001815820 132247067 /nfs/dbraw/zinc/24/70/67/132247067.db2.gz GHNYZHCIEGHOSU-UHFFFAOYSA-N 0 0 438.690 5.932 50 0 aggregator IKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc(Br)c1 ZINC000002059430 132247636 /nfs/dbraw/zinc/24/76/36/132247636.db2.gz BNUNITCPUQZIJN-VWLOTQADSA-N 0 0 434.377 6.584 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C ZINC000002054467 132247657 /nfs/dbraw/zinc/24/76/57/132247657.db2.gz GKCZEAWOZPUETJ-FNZWTVRRSA-N 0 0 444.550 6.529 50 0 IKAARN COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002063155 132247766 /nfs/dbraw/zinc/24/77/66/132247766.db2.gz MBAMYBUNNFFWAD-FMIVXFBMSA-N 0 0 439.627 6.818 50 0 IKAARN Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(Cl)cc1Cl ZINC000002060909 132247815 /nfs/dbraw/zinc/24/78/15/132247815.db2.gz IXTQFWLGRLOABG-SANMLTNESA-N 0 0 438.398 7.437 50 0 IKAARN Cc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2N(Cc2ccccc2)C3(C)C)cc1 ZINC000002069166 132247915 /nfs/dbraw/zinc/24/79/15/132247915.db2.gz RELCSQGNUZBTSH-UHFFFAOYSA-N 0 0 442.653 7.807 50 0 IKAARN Cc1ccc2c(c1)N(C(=O)COc1ccccc1Cl)C(C)(C)c1ssc(=S)c1-2 ZINC000002065960 132247935 /nfs/dbraw/zinc/24/79/35/132247935.db2.gz FKVAMRVORSJXAY-UHFFFAOYSA-N 0 0 448.034 6.829 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3cc(Cl)ccc3C)CO2)cc1 ZINC000002114210 132248101 /nfs/dbraw/zinc/24/81/01/132248101.db2.gz DOMSCHDFIJUAOZ-UHFFFAOYSA-N 0 0 433.891 5.787 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000002095998 132248158 /nfs/dbraw/zinc/24/81/58/132248158.db2.gz OSFMFXCFKGHJBP-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002170668 132248270 /nfs/dbraw/zinc/24/82/70/132248270.db2.gz WDGFANRLWRCQDM-ZDUSSCGKSA-N 0 0 429.404 6.965 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000002138402 132248295 /nfs/dbraw/zinc/24/82/95/132248295.db2.gz SYVKGRFJZQLRNY-UHFFFAOYSA-N 0 0 427.759 5.963 50 0 IKAARN Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002170670 132248300 /nfs/dbraw/zinc/24/83/00/132248300.db2.gz WDGFANRLWRCQDM-CYBMUJFWSA-N 0 0 429.404 6.965 50 0 IKAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000002139027 132248350 /nfs/dbraw/zinc/24/83/50/132248350.db2.gz CZNQQJYUAAJTCT-UHFFFAOYSA-N 0 0 442.799 5.764 50 0 IKAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(N2CCCCC2)n1 ZINC000002195382 132248473 /nfs/dbraw/zinc/24/84/73/132248473.db2.gz DNTQVKAAYFNOJD-UHFFFAOYSA-N 0 0 442.654 5.926 50 0 IKAARN CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1 ZINC000002189189 132248479 /nfs/dbraw/zinc/24/84/79/132248479.db2.gz QMNWOAUJCAPUMX-MWTRTKDXSA-N 0 0 435.365 6.734 50 0 IKAARN O=C(CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)c1cccc2ccccc21 ZINC000002185909 132248498 /nfs/dbraw/zinc/24/84/98/132248498.db2.gz MNTRDPZBKAEGEK-UHFFFAOYSA-N 0 0 435.470 7.344 50 0 IKAARN CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 ZINC000002189192 132248550 /nfs/dbraw/zinc/24/85/50/132248550.db2.gz QMNWOAUJCAPUMX-QMHKHESXSA-N 0 0 435.365 6.734 50 0 IKAARN Cc1nn2c(nc(C)cc2N2CCC(Cc3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000002209362 132248841 /nfs/dbraw/zinc/24/88/41/132248841.db2.gz HBQVTZFVLHMHLI-UHFFFAOYSA-N 0 0 430.983 6.126 50 0 IKAARN Cc1nn2c(nc3c(c2N2CCC(Cc4ccccc4)CC2)CCCC3)c1-c1ccccc1 ZINC000002206515 132248862 /nfs/dbraw/zinc/24/88/62/132248862.db2.gz FLYNHBKQGLUOPB-UHFFFAOYSA-N 0 0 436.603 6.043 50 0 IKAARN COc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(C)cc3)c3ccccc32)cc1 ZINC000002250619 132249995 /nfs/dbraw/zinc/24/99/95/132249995.db2.gz SDNFSTWELAKVMF-RFEICPCNSA-N 0 0 425.572 6.538 50 0 IKAARN CCOc1ccc2c(c1)N(C(=O)/C=C/c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002262204 132250619 /nfs/dbraw/zinc/25/06/19/132250619.db2.gz NLEYUWXHARLYTM-JLHYYAGUSA-N 0 0 439.627 6.900 50 0 IKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002261787 132250684 /nfs/dbraw/zinc/25/06/84/132250684.db2.gz YVKCGDJIQAMRDG-QVKFZJNVSA-N 0 0 426.347 6.977 50 0 IKAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 ZINC000002270307 132251038 /nfs/dbraw/zinc/25/10/38/132251038.db2.gz 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COc1ccc(OCC(=O)N2c3ccccc3[C@](C)(c3ccc(C)cc3)CC2(C)C)cc1 ZINC000002299580 132251581 /nfs/dbraw/zinc/25/15/81/132251581.db2.gz FWJMBOSGBRJCKS-NDEPHWFRSA-N 0 0 429.560 5.904 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N1c3ccccc3NC(=O)C1=N2 ZINC000002322305 132252018 /nfs/dbraw/zinc/25/20/18/132252018.db2.gz DGUCALBBDGRHQR-JOCHJYFZSA-N 0 0 439.906 6.075 50 0 IKAARN CCC(CC)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)C(CC)CC)c2ccccc21 ZINC000002313878 132252055 /nfs/dbraw/zinc/25/20/55/132252055.db2.gz DWSBHSMKMDMHMO-IBVKSMDESA-N 0 0 434.624 6.759 50 0 IKAARN Cc1ccc(N2CCN(c3cc(C(C)(C)C)nc4c(-c5ccccc5)cnn43)CC2)cc1 ZINC000002332153 132252272 /nfs/dbraw/zinc/25/22/72/132252272.db2.gz NUPZBNQZDZNVDF-UHFFFAOYSA-N 0 0 425.580 5.329 50 0 IKAARN CCc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000002391451 132253513 /nfs/dbraw/zinc/25/35/13/132253513.db2.gz FOFXZXXFJVYFJG-MUUNZHRXSA-N 0 0 448.006 6.803 50 0 IKAARN Cc1c2cc(Cl)c3c(c2oc(=O)c1Cc1ccccc1)CN(c1ccc(F)cc1)CO3 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426.560 6.390 50 0 IKAARN CC1=CC(C)(C)N=C(SCc2c(F)cccc2Cl)N1c1cc(Cl)cc(Cl)c1 ZINC000003180433 132261987 /nfs/dbraw/zinc/26/19/87/132261987.db2.gz JIGDBVUKLIOWAG-UHFFFAOYSA-N 0 0 443.802 7.578 50 0 IKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl ZINC000003166075 132262038 /nfs/dbraw/zinc/26/20/38/132262038.db2.gz ASUIBWOIWXRFGK-MHZLTWQESA-N 0 0 446.015 7.690 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3/C(=C/c3ccc(Br)cc3)C2=O)cc1 ZINC000003266528 132262994 /nfs/dbraw/zinc/26/29/94/132262994.db2.gz WYQRPLABCASZLK-JCMHNJIXSA-N 0 0 448.316 5.575 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1Cc1ccccc1 ZINC000003269052 132262997 /nfs/dbraw/zinc/26/29/97/132262997.db2.gz VAUAPFYIXJETJE-UHFFFAOYSA-N 0 0 436.580 6.909 50 0 IKAARN O=C1c2ccccc2C(=CNc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1Cl ZINC000003273939 132263001 /nfs/dbraw/zinc/26/30/01/132263001.db2.gz AUVWZKDASYNYKG-QGOAFFKASA-N 0 0 442.824 5.999 50 0 IKAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003299631 132263584 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Cc1cccc(CN2c3cc(C(=O)NC4CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000004472242 132272206 /nfs/dbraw/zinc/27/22/06/132272206.db2.gz GUILYASGLTWLPO-MYYYXRDXSA-N 0 0 440.568 5.567 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3)[C@@H]1C ZINC000004674964 132272639 /nfs/dbraw/zinc/27/26/39/132272639.db2.gz GZNYZDBQRWBYNT-JXXFODFXSA-N 0 0 426.557 5.019 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757054 132273441 /nfs/dbraw/zinc/27/34/41/132273441.db2.gz ORCYVCFLXGOVRD-UPVQGACJSA-N 0 0 436.458 5.096 50 0 IKAARN CCN1c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2C(C)=CC1(C)C ZINC000006078567 132275916 /nfs/dbraw/zinc/27/59/16/132275916.db2.gz NCIDSLGSYDQLJR-UHFFFAOYSA-N 0 0 443.634 8.091 50 0 IKAARN CC1CCN(c2ccc(/N=c3\cc(-c4ccccc4)oc4ccc(Cl)cc43)cc2)CC1 ZINC000006144196 132276165 /nfs/dbraw/zinc/27/61/65/132276165.db2.gz NFSXKKCWWMOXDR-XLVZBRSZSA-N 0 0 428.963 7.222 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)c1)N(c1ccc(CC)cc1)C(=O)C2 ZINC000006742770 132278723 /nfs/dbraw/zinc/27/87/23/132278723.db2.gz IMPTVPXMNXJPDT-MUUNZHRXSA-N 0 0 429.560 6.034 50 0 IKAARN CCc1cc(N2CCCC[C@H]2C)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000006802131 132279062 /nfs/dbraw/zinc/27/90/62/132279062.db2.gz ZMRDVNRLWHOAJW-GOSISDBHSA-N 0 0 426.630 5.096 50 0 IKAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000006834523 132279419 /nfs/dbraw/zinc/27/94/19/132279419.db2.gz DXPLQRWJJNSXKI-HXUWFJFHSA-N 0 0 436.644 5.434 50 0 IKAARN O=C(NC1CCCCCC1)[C@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000006806430 132279426 /nfs/dbraw/zinc/27/94/26/132279426.db2.gz QNNMKSXUOIBKIQ-HNNXBMFYSA-N 0 0 426.561 5.039 50 0 IKAARN Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c(C)c1 ZINC000006901075 132279980 /nfs/dbraw/zinc/27/99/80/132279980.db2.gz GILXOYVUFRVDBJ-UHFFFAOYSA-N 0 0 426.568 5.183 50 0 IKAARN Cc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000008426246 132281725 /nfs/dbraw/zinc/28/17/25/132281725.db2.gz 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Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)CC2)c1 ZINC000008599286 132285904 /nfs/dbraw/zinc/28/59/04/132285904.db2.gz KFPLJBSTFYLTHR-UHFFFAOYSA-N 0 0 433.983 5.346 50 0 IKAARN Cc1cc(C)cc(NC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000008599924 132286133 /nfs/dbraw/zinc/28/61/33/132286133.db2.gz ATIFWYFNETWAHD-UHFFFAOYSA-N 0 0 428.458 5.121 50 0 IKAARN CC[C@H]1CN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c2cc(Cl)ccc2O1 ZINC000008600296 132286344 /nfs/dbraw/zinc/28/63/44/132286344.db2.gz GINGFBJRHKVCOH-SFHVURJKSA-N 0 0 446.956 5.287 50 0 aggregator IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc12 ZINC000008602960 132286727 /nfs/dbraw/zinc/28/67/27/132286727.db2.gz GNOVUKORCATBRM-UHFFFAOYSA-N 0 0 441.550 5.408 50 0 aggregator IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000008602957 132286775 /nfs/dbraw/zinc/28/67/75/132286775.db2.gz YBPKZJCGBKCEPC-UHFFFAOYSA-N 0 0 441.550 5.408 50 0 IKAARN CC(C)c1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000008608614 132287580 /nfs/dbraw/zinc/28/75/80/132287580.db2.gz OCJCYNDREXAKGG-UHFFFAOYSA-N 0 0 440.952 5.799 50 0 aggregator IKAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000008608623 132287633 /nfs/dbraw/zinc/28/76/33/132287633.db2.gz AUOBSCCHDAJAOI-UHFFFAOYSA-N 0 0 434.561 5.772 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccc(Cl)c4)ccc32)cc1 ZINC000008608690 132287798 /nfs/dbraw/zinc/28/77/98/132287798.db2.gz BKTYNNAVECIQOW-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 aggregator IKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCc4ccc(OC(C)C)cc4)cc32)cc1 ZINC000008610157 132288012 /nfs/dbraw/zinc/28/80/12/132288012.db2.gz DLXVRGVNOJSTQZ-UHFFFAOYSA-N 0 0 446.616 5.825 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000008619497 132288832 /nfs/dbraw/zinc/28/88/32/132288832.db2.gz GKTGHFDCHCUPPH-UHFFFAOYSA-N 0 0 430.451 5.612 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1C(F)(F)F ZINC000008619495 132288838 /nfs/dbraw/zinc/28/88/38/132288838.db2.gz CHAUSTJCSTVCEQ-UHFFFAOYSA-N 0 0 430.451 5.612 50 0 IKAARN c1csc(-c2nc3ccccc3c(N3CCC[C@H](c4nnc5n4CCCCC5)C3)n2)c1 ZINC000008704809 132290846 /nfs/dbraw/zinc/29/08/46/132290846.db2.gz ZMHGARDGMMBMDY-KRWDZBQOSA-N 0 0 430.581 5.060 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccccc2N2CCCCC2)o1 ZINC000008720323 132291840 /nfs/dbraw/zinc/29/18/40/132291840.db2.gz FMLXPCGCDIANPU-UHFFFAOYSA-N 0 0 443.551 5.322 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000008756944 132292848 /nfs/dbraw/zinc/29/28/48/132292848.db2.gz CFEOOZCAWCTQNK-UHFFFAOYSA-N 0 0 447.343 5.637 50 0 IKAARN O=C([C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCCCC1 ZINC000008766650 132293514 /nfs/dbraw/zinc/29/35/14/132293514.db2.gz ARDNVLNUUVFXKI-LJQANCHMSA-N 0 0 449.982 5.077 50 0 IKAARN O=C(NC1CCCC1)[C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008759077 132293567 /nfs/dbraw/zinc/29/35/67/132293567.db2.gz UWJPSVYSHCDZFJ-SFHVURJKSA-N 0 0 449.982 5.124 50 0 IKAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](Cc4ccccc4)C[C@H]32)C(=O)C1 ZINC000008773630 132294023 /nfs/dbraw/zinc/29/40/23/132294023.db2.gz WGENJQBZVYXURO-CVDCTZTESA-N 0 0 435.995 5.668 50 0 IKAARN CC(C)SCc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(-c2ccccc2)n1 ZINC000008857333 132296392 /nfs/dbraw/zinc/29/63/92/132296392.db2.gz TTYAPODURNKYRV-UHFFFAOYSA-N 0 0 439.028 5.765 50 0 IKAARN CC(C)CCNC(=O)[C@H](C)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000008877962 132296921 /nfs/dbraw/zinc/29/69/21/132296921.db2.gz CNAZSPSALINZTE-VFNWGFHPSA-N 0 0 448.991 5.285 50 0 IKAARN CC[C@H](C(=O)N1c2cc(C)c(C)cc2-c2c(=S)ssc2C1(C)C)c1ccccc1 ZINC000008868567 132296948 /nfs/dbraw/zinc/29/69/48/132296948.db2.gz JLKMLHLINKIWIK-KRWDZBQOSA-N 0 0 439.671 7.598 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(NC(=O)N3C[C@@H](C)Sc4ccccc43)cc2)cc1 ZINC000008912248 132297578 /nfs/dbraw/zinc/29/75/78/132297578.db2.gz BHLLSXCDTDBWRP-QGZVFWFLSA-N 0 0 447.560 5.158 50 0 IKAARN C[C@@H](CNC(=O)[C@@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1)c1ccccc1 ZINC000008912853 132297760 /nfs/dbraw/zinc/29/77/60/132297760.db2.gz HUBWKOCNCVKSJX-FUHWJXTLSA-N 0 0 448.567 5.120 50 0 IKAARN CC(C)c1ccc(NC(=O)CCCN2c3ncccc3O[C@@H](c3ccccc3)C2=O)cc1 ZINC000009114925 132303616 /nfs/dbraw/zinc/30/36/16/132303616.db2.gz XBKJYHOVROIOLD-DEOSSOPVSA-N 0 0 429.520 5.091 50 0 IKAARN Cc1ccc(Cn2cc(CCC(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)cc1 ZINC000009116062 132303768 /nfs/dbraw/zinc/30/37/68/132303768.db2.gz ACZKUJDPBZZKTH-UHFFFAOYSA-N 0 0 437.587 5.279 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3nc(-c4cccc(F)c4)n4c3CCCCC4)C[C@@H]2C)c1 ZINC000009117185 132304225 /nfs/dbraw/zinc/30/42/25/132304225.db2.gz FMKJVRPIJIZLKM-FQEVSTJZSA-N 0 0 446.570 5.075 50 0 IKAARN Cc1ccc(N2COc3ccc4c(-c5cc6ccccc6oc5=O)cc(=O)oc4c3C2)cc1 ZINC000009129509 132305578 /nfs/dbraw/zinc/30/55/78/132305578.db2.gz FNJLYXRGWFDQAD-UHFFFAOYSA-N 0 0 437.451 5.231 50 0 IKAARN COc1cc2c(cc1OC)[C@H](C)N(CC(=O)N1c3ccccc3Sc3ccccc31)CC2 ZINC000009129537 132305735 /nfs/dbraw/zinc/30/57/35/132305735.db2.gz GQTROGJMGGUQLM-KRWDZBQOSA-N 0 0 446.572 5.452 50 0 IKAARN C[C@H]1C[C@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000009130166 132305765 /nfs/dbraw/zinc/30/57/65/132305765.db2.gz SYCJJBDJESXAPU-AVRDEDQJSA-N 0 0 442.540 6.168 50 0 IKAARN COc1ccc([C@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000009129918 132305818 /nfs/dbraw/zinc/30/58/18/132305818.db2.gz OAMHGTIONMLXDK-SANMLTNESA-N 0 0 428.532 5.050 50 0 IKAARN Cc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)C1=O ZINC000009130181 132305934 /nfs/dbraw/zinc/30/59/34/132305934.db2.gz UXJVKMZKEWLYKF-RUZDIDTESA-N 0 0 432.951 5.893 50 0 IKAARN CCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000009130343 132305958 /nfs/dbraw/zinc/30/59/58/132305958.db2.gz RZXMOFJPBQYWQC-FQRUVTKNSA-N 0 0 442.559 6.009 50 0 IKAARN CC1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000009145012 132306872 /nfs/dbraw/zinc/30/68/72/132306872.db2.gz IYNCKWUXMOGFGF-UHFFFAOYSA-N 0 0 444.604 5.994 50 0 IKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Br)cc1)CO3 ZINC000009153842 132307162 /nfs/dbraw/zinc/30/71/62/132307162.db2.gz APTSTGFUIFMBID-UHFFFAOYSA-N 0 0 434.289 5.579 50 0 IKAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc(I)o1 ZINC000009160325 132307261 /nfs/dbraw/zinc/30/72/61/132307261.db2.gz ALLYBEGGRVFPSC-HXUWFJFHSA-N 0 0 441.272 5.288 50 0 IKAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc12 ZINC000009160975 132307391 /nfs/dbraw/zinc/30/73/91/132307391.db2.gz FZTIGOJMUXGXBH-UHFFFAOYSA-N 0 0 444.604 5.283 50 0 IKAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000009190078 132307925 /nfs/dbraw/zinc/30/79/25/132307925.db2.gz HXUVJLWWPQWITM-UHFFFAOYSA-N 0 0 428.517 5.981 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C(=O)C2 ZINC000009198640 132308213 /nfs/dbraw/zinc/30/82/13/132308213.db2.gz NUGANEWTDFURBT-HSZRJFAPSA-N 0 0 428.315 5.689 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)N(c1ccc(C)c(F)c1)C(=O)C2 ZINC000009198910 132308391 /nfs/dbraw/zinc/30/83/91/132308391.db2.gz CXBVIUNVWIHXSA-MHZLTWQESA-N 0 0 449.522 5.619 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)N(c1ccc(Cl)cc1)C(=O)C2 ZINC000009198813 132308433 /nfs/dbraw/zinc/30/84/33/132308433.db2.gz AOZJTSONOGSPFY-MHZLTWQESA-N 0 0 449.978 6.379 50 0 IKAARN Cc1ccc(N2C(=O)CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1C ZINC000009227907 132309894 /nfs/dbraw/zinc/30/98/94/132309894.db2.gz TZZZMOUCYMCTQT-SANMLTNESA-N 0 0 446.547 5.312 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000009250402 132310766 /nfs/dbraw/zinc/31/07/66/132310766.db2.gz BZCSBDFGHGVLOD-UHFFFAOYSA-N 0 0 448.588 5.748 50 0 IKAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(CC)cccc1CC ZINC000009250397 132310783 /nfs/dbraw/zinc/31/07/83/132310783.db2.gz QZCLMAQLLQZZRL-UHFFFAOYSA-N 0 0 448.588 5.188 50 0 IKAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(Cl)cc1 ZINC000009250405 132310830 /nfs/dbraw/zinc/31/08/30/132310830.db2.gz LXMQRXRCFZGSIY-UHFFFAOYSA-N 0 0 440.952 5.278 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)C[C@H]2C)c1 ZINC000009251891 132311078 /nfs/dbraw/zinc/31/10/78/132311078.db2.gz FYDZSTIKXMJOJQ-HXUWFJFHSA-N 0 0 444.604 5.363 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000009304358 132313106 /nfs/dbraw/zinc/31/31/06/132313106.db2.gz XYAHVIMQWBBBKK-PEELUZDISA-N 0 0 448.420 5.257 50 0 IKAARN Cc1csc2[nH]c(SCC(=O)N3c4ccccc4Sc4ccccc43)nc(=O)c12 ZINC000009305666 132313112 /nfs/dbraw/zinc/31/31/12/132313112.db2.gz AFBKBXHFQATOPO-UHFFFAOYSA-N 0 0 437.571 5.215 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(N2CCCCC2)cc1 ZINC000009376455 132314655 /nfs/dbraw/zinc/31/46/55/132314655.db2.gz FSUPMMCPZKUNIY-UHFFFAOYSA-N 0 0 425.583 5.003 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3n2CCCCC3)cc1 ZINC000009406745 132315631 /nfs/dbraw/zinc/31/56/31/132315631.db2.gz LFILFYMIFPJKHF-UHFFFAOYSA-N 0 0 442.607 5.164 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c3n2CCCCC3)cc1 ZINC000009406743 132315698 /nfs/dbraw/zinc/31/56/98/132315698.db2.gz BISBBHPWPPIIAL-JOCHJYFZSA-N 0 0 442.607 5.244 50 0 IKAARN Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)Nc3ccc(N4CCC(C)CC4)cc3)ccc12 ZINC000009411005 132316081 /nfs/dbraw/zinc/31/60/81/132316081.db2.gz MJUAKJAOBDNTPV-LJQANCHMSA-N 0 0 434.536 5.052 50 0 IKAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(Cl)cc12 ZINC000009410984 132316111 /nfs/dbraw/zinc/31/61/11/132316111.db2.gz DVTDRVJSCPWOBO-UHFFFAOYSA-N 0 0 440.927 5.009 50 0 IKAARN CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009422893 132316549 /nfs/dbraw/zinc/31/65/49/132316549.db2.gz PONKNTRJZQTVSG-NRFANRHFSA-N 0 0 436.309 5.179 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCc3ccccc32)[C@@H]1c1cccs1 ZINC000009432966 132317278 /nfs/dbraw/zinc/31/72/78/132317278.db2.gz OIXNXPQUFWPSPX-RPBOFIJWSA-N 0 0 444.600 5.664 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCc3ccccc32)[C@H]1c1cccs1 ZINC000009432965 132317311 /nfs/dbraw/zinc/31/73/11/132317311.db2.gz 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Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c(C)c1 ZINC000009569254 132321826 /nfs/dbraw/zinc/32/18/26/132321826.db2.gz XHQQZHMKVSCMHT-UHFFFAOYSA-N 0 0 440.590 5.067 50 0 IKAARN CC(C)C(=O)N1CCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)CC1 ZINC000009578816 132322159 /nfs/dbraw/zinc/32/21/59/132322159.db2.gz DMMHZGKIODSMJD-UHFFFAOYSA-N 0 0 448.617 5.391 50 0 IKAARN COC(=O)C1=NN(c2ccccc2C)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000009590573 132322524 /nfs/dbraw/zinc/32/25/24/132322524.db2.gz HCSIBTKOVGUUNG-RUZDIDTESA-N 0 0 442.544 5.089 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCC2)cc1 ZINC000009591135 132322533 /nfs/dbraw/zinc/32/25/33/132322533.db2.gz UUJZDDHJLALICQ-UHFFFAOYSA-N 0 0 428.945 5.111 50 0 IKAARN CCc1ccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1 ZINC000009597999 132322820 /nfs/dbraw/zinc/32/28/20/132322820.db2.gz BPRMWLSIENCRQK-UHFFFAOYSA-N 0 0 444.579 5.453 50 0 IKAARN c1ccc(C2=C3CCc4ccccc4[C@@H]3N(c3ccccc3)C3=C2CCc2ccccc23)cc1 ZINC000009601051 132322870 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Cc1ccc(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NC3CCCCCC3)C2=O)cc1 ZINC000009692886 132326144 /nfs/dbraw/zinc/32/61/44/132326144.db2.gz WZXGTLIXJVPWLV-DVECYGJZSA-N 0 0 436.621 5.478 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)NC3CCCCCC3)C2=O)cc1 ZINC000009692888 132326169 /nfs/dbraw/zinc/32/61/69/132326169.db2.gz WZXGTLIXJVPWLV-CYFREDJKSA-N 0 0 436.621 5.478 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)[C@H]2Sc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000009692889 132326180 /nfs/dbraw/zinc/32/61/80/132326180.db2.gz UXRJCYGMINBAGY-NBGIEHNGSA-N 0 0 444.600 5.263 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCCC3=CCCCC3)C2=O)cc1 ZINC000009692907 132326201 /nfs/dbraw/zinc/32/62/01/132326201.db2.gz BPGQLYPLPBVVQB-CJFMBICVSA-N 0 0 448.632 5.645 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCc3cccs3)C2=O)cc1 ZINC000009692905 132326230 /nfs/dbraw/zinc/32/62/30/132326230.db2.gz CPSWSATURYKHHE-HTAPYJJXSA-N 0 0 436.602 5.017 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)C[C@H]2C)cc1 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CCOc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 ZINC000010273002 132335393 /nfs/dbraw/zinc/33/53/93/132335393.db2.gz DPHFIBRFZQCEML-UHFFFAOYSA-N 0 0 436.533 5.038 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 ZINC000011027543 132337061 /nfs/dbraw/zinc/33/70/61/132337061.db2.gz YRHYSSOGYRVSTM-UHFFFAOYSA-N 0 0 439.922 5.564 50 0 IKAARN CCc1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000011120383 132337357 /nfs/dbraw/zinc/33/73/57/132337357.db2.gz UKBPXPNUGWHAOQ-UHFFFAOYSA-N 0 0 434.561 5.187 50 0 IKAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C(C)C ZINC000011118838 132337393 /nfs/dbraw/zinc/33/73/93/132337393.db2.gz CILAPLDVBKPKAS-UHFFFAOYSA-N 0 0 434.561 5.187 50 0 IKAARN O=C(c1ccc(N2CCCCC2)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000011668222 132338641 /nfs/dbraw/zinc/33/86/41/132338641.db2.gz AFQZAXBDYKKEIX-MHZLTWQESA-N 0 0 436.559 5.341 50 0 IKAARN CCOc1c(Br)cc(C(=O)Nc2ccccc2N2CCCCC2)cc1OC ZINC000013015207 132342403 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CCCCc1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1 ZINC000013162846 132346049 /nfs/dbraw/zinc/34/60/49/132346049.db2.gz CVDTWHLSRJOXMQ-ULJHMMPZSA-N 0 0 430.935 6.323 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000013469304 132347184 /nfs/dbraw/zinc/34/71/84/132347184.db2.gz KOQHMJGZKBMPIN-UHFFFAOYSA-N 0 0 449.860 5.285 50 0 IKAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013583831 132351106 /nfs/dbraw/zinc/35/11/06/132351106.db2.gz QORQZXNKBIACBD-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000013591909 132351318 /nfs/dbraw/zinc/35/13/18/132351318.db2.gz HKEMLBRNLXEOBJ-SANMLTNESA-N 0 0 430.523 5.687 50 0 IKAARN COc1ccccc1C(=O)N1c2ccc(Cl)cc2-c2c(=S)ssc2C1(C)C ZINC000013756442 132354341 /nfs/dbraw/zinc/35/43/41/132354341.db2.gz NYPXFCLOQZMQNG-UHFFFAOYSA-N 0 0 434.007 6.764 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 ZINC000013893344 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IVXHYDUXTYURSY-ODHTVOOQSA-N 0 0 446.553 6.383 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1C ZINC000012812741 518229900 /nfs/dbraw/zinc/22/99/00/518229900.db2.gz OVZOPDWWMFAEDE-MRXNPFEDSA-N 0 0 431.561 5.718 50 0 IKAARN CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc21 ZINC000012623334 518236224 /nfs/dbraw/zinc/23/62/24/518236224.db2.gz KDFFWFMFTAUWOC-UHFFFAOYSA-N 0 0 446.934 6.121 50 0 IKAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)s1 ZINC000012112376 518305674 /nfs/dbraw/zinc/30/56/74/518305674.db2.gz AQQHVNMSFDWMQS-LJQANCHMSA-N 0 0 435.520 5.492 50 0 IKAARN CC(=O)c1ccc(NC(=O)C=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000012380126 518354748 /nfs/dbraw/zinc/35/47/48/518354748.db2.gz LNXDXSMYESGZPA-SSZFMOIBSA-N 0 0 447.494 6.140 50 0 IKAARN C(=C/c1ccccc1)\CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000016450940 518371843 /nfs/dbraw/zinc/37/18/43/518371843.db2.gz ORKPAJJLRFADEX-JYLQPTBZSA-N 0 0 427.529 5.585 50 0 IKAARN C(=C\c1ccccc1)\CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000033619388 518374441 /nfs/dbraw/zinc/37/44/41/518374441.db2.gz WGCICOKJCGEBOL-YFHOEESVSA-N 0 0 427.529 5.528 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(C)cc4)C3=O)c2)cc1 ZINC000035180901 518381830 /nfs/dbraw/zinc/38/18/30/518381830.db2.gz FISMMXHLEIYTIO-UHFFFAOYSA-N 0 0 441.531 5.282 50 0 IKAARN CC(=O)c1ccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)cc1 ZINC000012632287 518383770 /nfs/dbraw/zinc/38/37/70/518383770.db2.gz YEGVRVMZYPBKMW-NRFANRHFSA-N 0 0 427.460 5.018 50 0 IKAARN CC(=O)c1ccc(Nc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3o2)cc1 ZINC000012540699 518390424 /nfs/dbraw/zinc/39/04/24/518390424.db2.gz BPSHCSAXTVWJFF-UHFFFAOYSA-N 0 0 441.896 5.228 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000016480881 518439202 /nfs/dbraw/zinc/43/92/02/518439202.db2.gz CMEMWFJKHGXIQC-RUZDIDTESA-N 0 0 447.966 5.045 50 0 IKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000015412480 518446311 /nfs/dbraw/zinc/44/63/11/518446311.db2.gz XUQMYZBMXKTZAA-YNZBZNKJSA-N 0 0 444.962 5.809 50 0 IKAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)s1 ZINC000021984855 518587128 /nfs/dbraw/zinc/58/71/28/518587128.db2.gz WEFWHPGXMQTRGY-UHFFFAOYSA-N 0 0 449.985 5.089 50 0 IKAARN CC(C)(C)CC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)NCc2ccccc2)C1 ZINC000036041943 518616515 /nfs/dbraw/zinc/61/65/15/518616515.db2.gz ASIAWHBUJYTBCF-LEWJYISDSA-N 0 0 446.513 5.000 50 0 IKAARN CC(C)(C)CC(=O)N1C[C@H](C(=O)NCc2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036041945 518617324 /nfs/dbraw/zinc/61/73/24/518617324.db2.gz ASIAWHBUJYTBCF-SFTDATJTSA-N 0 0 446.513 5.000 50 0 IKAARN CC(C)(C)CC(=O)N1C[C@H](C(=O)NCc2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036041944 518617550 /nfs/dbraw/zinc/61/75/50/518617550.db2.gz ASIAWHBUJYTBCF-RTWAWAEBSA-N 0 0 446.513 5.000 50 0 IKAARN CC(C)(C)CC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927054 518624727 /nfs/dbraw/zinc/62/47/27/518624727.db2.gz LSURPXZVGJXGJN-FQEVSTJZSA-N 0 0 436.499 5.859 50 0 IKAARN CC(C)(C)CC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926990 518624945 /nfs/dbraw/zinc/62/49/45/518624945.db2.gz CDFSBSNYJLCYHX-FQEVSTJZSA-N 0 0 436.499 5.859 50 0 IKAARN CC(C)(C)CC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927053 518625697 /nfs/dbraw/zinc/62/56/97/518625697.db2.gz LSURPXZVGJXGJN-HXUWFJFHSA-N 0 0 436.499 5.859 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035944480 518738653 /nfs/dbraw/zinc/73/86/53/518738653.db2.gz FFGDDZOBOSTRML-LJQANCHMSA-N 0 0 433.474 5.209 50 0 IKAARN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)Cc2ccc(Cl)cc2)c1Cl ZINC000012843087 518754346 /nfs/dbraw/zinc/75/43/46/518754346.db2.gz QFDIWFCWQUIZMR-UHFFFAOYSA-N 0 0 435.376 5.918 50 0 IKAARN CC(C)(C)Nc1c(-c2ccc(Cl)c(Cl)c2)nc2c(OCc3ccccc3)cccn12 ZINC000035701974 518773541 /nfs/dbraw/zinc/77/35/41/518773541.db2.gz BDLSERHAVGHJBY-UHFFFAOYSA-N 0 0 440.374 7.098 50 0 IKAARN CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000012555741 518796768 /nfs/dbraw/zinc/79/67/68/518796768.db2.gz LQKOCHZICIYLSZ-UHFFFAOYSA-N 0 0 437.348 5.126 50 0 IKAARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(N)=O)/C(=C\c2cccs2)C1 ZINC000012652819 518950865 /nfs/dbraw/zinc/95/08/65/518950865.db2.gz IAWYOBZMTBVBTD-IRVMHKCDSA-N 0 0 434.561 5.088 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2cc(Cl)ccc2F)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023431431 519002633 /nfs/dbraw/zinc/00/26/33/519002633.db2.gz VNUXVMFBBVWNLN-UHFFFAOYSA-N 0 0 440.733 6.521 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(NC(=O)c3cc(Cl)cc(Cl)c3)c(C(N)=O)s2)cc1 ZINC000012340345 519007793 /nfs/dbraw/zinc/00/77/93/519007793.db2.gz BLCFTAWAAADHML-UHFFFAOYSA-N 0 0 447.387 6.371 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020468058 519019896 /nfs/dbraw/zinc/01/98/96/519019896.db2.gz UWDYDQIXFDDYME-QFIPXVFZSA-N 0 0 445.950 6.207 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(F)c3)c2)cc1 ZINC000035927314 519021421 /nfs/dbraw/zinc/02/14/21/519021421.db2.gz BKBQGMNRNJEMQL-VWLOTQADSA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3F)cc2)cc1 ZINC000035912186 519022231 /nfs/dbraw/zinc/02/22/31/519022231.db2.gz CMVZOJDZRWAHQU-RUZDIDTESA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000035928141 519034087 /nfs/dbraw/zinc/03/40/87/519034087.db2.gz BVCZSGQYAFMSSC-RUZDIDTESA-N 0 0 430.573 6.015 50 0 IKAARN CC(C)(C)c1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(F)cc2)cc1 ZINC000001511634 519034610 /nfs/dbraw/zinc/03/46/10/519034610.db2.gz QVQJFZQZPRSQRW-UHFFFAOYSA-N 0 0 444.506 5.066 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCC4)cc1 ZINC000012369953 519038040 /nfs/dbraw/zinc/03/80/40/519038040.db2.gz RWYYEIWFUZBHRH-UHFFFAOYSA-N 0 0 442.588 5.979 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000035818519 519048959 /nfs/dbraw/zinc/04/89/59/519048959.db2.gz QQOORKBXPRCAOZ-MUUNZHRXSA-N 0 0 434.583 6.698 50 0 IKAARN CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000012195398 519051921 /nfs/dbraw/zinc/05/19/21/519051921.db2.gz XLAVZOQIROYJGL-LMSSTIIKSA-N 0 0 432.567 7.380 50 0 IKAARN CC(C)(CNc1ncc(C(F)(F)F)cc1Cl)SCC(=O)c1ccc(Cl)cc1 ZINC000012338525 519271286 /nfs/dbraw/zinc/27/12/86/519271286.db2.gz BVYFZLFGPJPGDV-UHFFFAOYSA-N 0 0 437.314 6.214 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000012381185 519376897 /nfs/dbraw/zinc/37/68/97/519376897.db2.gz NRJBMELMJJTJSZ-UHFFFAOYSA-N 0 0 440.330 6.333 50 0 IKAARN CC(C)Cc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1 ZINC000033022207 519431695 /nfs/dbraw/zinc/43/16/95/519431695.db2.gz KRCVTXJECFUHIU-UHFFFAOYSA-N 0 0 436.968 6.338 50 0 IKAARN CC(C)Cc1ccc(-c2ccc(SCc3nc(-c4cccc(Cl)c4)no3)nn2)cc1 ZINC000033022197 519432667 /nfs/dbraw/zinc/43/26/67/519432667.db2.gz UZJWLCLVEMMBFD-UHFFFAOYSA-N 0 0 436.968 6.338 50 0 IKAARN CC(C)Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc4ccccc4c3)n2C)cc1 ZINC000012340462 519434137 /nfs/dbraw/zinc/43/41/37/519434137.db2.gz UZJSAGFEHDDJKN-GOSISDBHSA-N 0 0 429.589 6.197 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000012401536 519446076 /nfs/dbraw/zinc/44/60/76/519446076.db2.gz CNVYHWYQZCUBMC-OAHLLOKOSA-N 0 0 446.041 6.425 50 0 IKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(Cl)o2)=NO1 ZINC000035944820 519453157 /nfs/dbraw/zinc/45/31/57/519453157.db2.gz WOVUSZQFGPRYCE-HNNXBMFYSA-N 0 0 428.838 5.130 50 0 IKAARN CC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000035980180 519465186 /nfs/dbraw/zinc/46/51/86/519465186.db2.gz PCXYLUWPQFYTED-JOCHJYFZSA-N 0 0 439.943 5.154 50 0 IKAARN CC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000035944048 519467600 /nfs/dbraw/zinc/46/76/00/519467600.db2.gz OIYFLDDNCJXNII-GOSISDBHSA-N 0 0 449.982 5.768 50 0 IKAARN CC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000035944047 519467670 /nfs/dbraw/zinc/46/76/70/519467670.db2.gz OIYFLDDNCJXNII-SFHVURJKSA-N 0 0 449.982 5.768 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cs1)c1cccc(Cl)c1 ZINC000012815992 519473278 /nfs/dbraw/zinc/47/32/78/519473278.db2.gz NAVJYDVTIOSQND-ODLFYWEKSA-N 0 0 437.908 5.134 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cs1)c1ccccc1F ZINC000021336774 519473332 /nfs/dbraw/zinc/47/33/32/519473332.db2.gz SEWMMOHTBMPZOX-RMKNXTFCSA-N 0 0 435.402 5.036 50 0 IKAARN CC(=O)N(c1nc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cs1)c1cccc(Cl)c1 ZINC000024100163 519473829 /nfs/dbraw/zinc/47/38/29/519473829.db2.gz IKXHSIRVSRNPGL-RQZCQDPDSA-N 0 0 430.316 5.627 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2cnc(Cl)c(Cl)c2)cs1)c1ccccc1F ZINC000012908106 519479434 /nfs/dbraw/zinc/47/94/34/519479434.db2.gz DPAVEZUHYZYWEQ-UHFFFAOYSA-N 0 0 440.283 5.026 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(OC(C)C)cc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586803 519500270 /nfs/dbraw/zinc/50/02/70/519500270.db2.gz YDALVHZEAQLAMC-DEOSSOPVSA-N 0 0 443.547 5.210 50 0 biogenic IKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 ZINC000021787500 519545575 /nfs/dbraw/zinc/54/55/75/519545575.db2.gz JOMWSOFCJPTTFL-HSZRJFAPSA-N 0 0 425.960 5.541 50 0 IKAARN CC(C)N(C(=O)c1ccc(Cl)cc1Cl)c1ccc(-n2nc3ccccc3n2)cc1 ZINC000012401556 519578351 /nfs/dbraw/zinc/57/83/51/519578351.db2.gz RMBYGTZXMVRFJP-UHFFFAOYSA-N 0 0 425.319 5.783 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)n1 ZINC000034717440 519606187 /nfs/dbraw/zinc/60/61/87/519606187.db2.gz YKZKQEDDLRSETQ-UHFFFAOYSA-N 0 0 434.483 5.888 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)n1 ZINC000034717255 519606484 /nfs/dbraw/zinc/60/64/84/519606484.db2.gz NXHKIKWGHMXNNS-UHFFFAOYSA-N 0 0 434.483 5.888 50 0 IKAARN CC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1ccccc1 ZINC000036046028 519637123 /nfs/dbraw/zinc/63/71/23/519637123.db2.gz NMAOIBIZIRZCEN-UHFFFAOYSA-N 0 0 438.531 5.029 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015679604 519653148 /nfs/dbraw/zinc/65/31/48/519653148.db2.gz DPXDXNPQJOGLAO-MHZLTWQESA-N 0 0 435.612 5.255 50 0 IKAARN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)c1cccs1 ZINC000035977357 519653410 /nfs/dbraw/zinc/65/34/10/519653410.db2.gz RVQZBSJYVIMGIJ-UHFFFAOYSA-N 0 0 449.551 6.131 50 0 IKAARN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)c1cccs1 ZINC000035977203 519653565 /nfs/dbraw/zinc/65/35/65/519653565.db2.gz PDHBOFZTVXXREP-UHFFFAOYSA-N 0 0 449.551 6.131 50 0 IKAARN CC(C)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)S2 ZINC000020180537 519662089 /nfs/dbraw/zinc/66/20/89/519662089.db2.gz UTDGRGSQYFEDGU-NDENLUEZSA-N 0 0 448.510 5.591 50 0 IKAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1cccc2ccccc21 ZINC000012653976 519663560 /nfs/dbraw/zinc/66/35/60/519663560.db2.gz GKFMSEBQQATAJN-UHFFFAOYSA-N 0 0 435.911 5.359 50 0 IKAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000033037270 519701632 /nfs/dbraw/zinc/70/16/32/519701632.db2.gz KHDHBCUQWZIAMU-UHFFFAOYSA-N 0 0 444.922 5.712 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033037018 519701680 /nfs/dbraw/zinc/70/16/80/519701680.db2.gz IMORMVBJTCJMCY-UHFFFAOYSA-N 0 0 444.922 5.712 50 0 IKAARN CC(=O)Nc1cc(C)nn1-c1nc2ccccc2n1Cc1cccc(Oc2ccccc2)c1 ZINC000012540799 519704010 /nfs/dbraw/zinc/70/40/10/519704010.db2.gz QJJDZVWWQIZZKR-UHFFFAOYSA-N 0 0 437.503 5.329 50 0 IKAARN CC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C)no2)cc1 ZINC000035453769 519708272 /nfs/dbraw/zinc/70/82/72/519708272.db2.gz CHSLDCPQALTGNX-UHFFFAOYSA-N 0 0 442.500 5.103 50 0 IKAARN CC(=O)Nc1ccc(-n2c(/C=C\c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 ZINC000033096831 519708646 /nfs/dbraw/zinc/70/86/46/519708646.db2.gz XWFXZBYREGJQCM-ZROIWOOFSA-N 0 0 449.432 5.533 50 0 IKAARN CC(C)CN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1c(F)cccc1F ZINC000035844952 519709810 /nfs/dbraw/zinc/70/98/10/519709810.db2.gz ROVHFVRROKQMIF-UHFFFAOYSA-N 0 0 444.497 5.384 50 0 IKAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000035980912 519710197 /nfs/dbraw/zinc/71/01/97/519710197.db2.gz SGPIMHOFDUFSFD-UHFFFAOYSA-N 0 0 436.531 5.349 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)CCCC3 ZINC000021917561 519711418 /nfs/dbraw/zinc/71/14/18/519711418.db2.gz ZVOKNEKULANIPJ-QFIPXVFZSA-N 0 0 440.012 6.094 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000035944660 519718092 /nfs/dbraw/zinc/71/80/92/519718092.db2.gz LBQHHEWAMPVWNG-UHFFFAOYSA-N 0 0 439.575 5.319 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000020904374 519719852 /nfs/dbraw/zinc/71/98/52/519719852.db2.gz WFDGBVVOYKKDJG-FGZHOGPDSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccsc2)[C@@H]1c1cccs1 ZINC000020904437 519719933 /nfs/dbraw/zinc/71/99/33/519719933.db2.gz JBYTWUBWGWMREQ-YADHBBJMSA-N 0 0 438.618 5.105 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000021901582 519725845 /nfs/dbraw/zinc/72/58/45/519725845.db2.gz SOPFOTXORFROMS-UHFFFAOYSA-N 0 0 432.829 6.237 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(OC(F)(F)F)cc3)nc2C)cc1 ZINC000012322830 519726446 /nfs/dbraw/zinc/72/64/46/519726446.db2.gz GJEAXYSYJVLFAK-UHFFFAOYSA-N 0 0 435.427 5.228 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000012848354 519726502 /nfs/dbraw/zinc/72/65/02/519726502.db2.gz PZRLIYLWMDCYJH-UHFFFAOYSA-N 0 0 436.821 5.064 50 0 IKAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)cc1 ZINC000021799381 519727707 /nfs/dbraw/zinc/72/77/07/519727707.db2.gz PAIZFAZSJRNQHS-UHFFFAOYSA-N 0 0 439.441 5.734 50 0 IKAARN CC(C)CNC(=O)CCN(CC(C)C)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008130 519733836 /nfs/dbraw/zinc/73/38/36/519733836.db2.gz QUHGTRKAQGAFIA-UHFFFAOYSA-N 0 0 439.003 5.575 50 0 IKAARN CC(=O)Nc1ccc2nc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)cc(C)c2c1 ZINC000021704226 519734816 /nfs/dbraw/zinc/73/48/16/519734816.db2.gz IPRHVRLOZUEYAZ-UHFFFAOYSA-N 0 0 436.943 5.010 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035370744 519735139 /nfs/dbraw/zinc/73/51/39/519735139.db2.gz QOCONLARCUFZFQ-RUZDIDTESA-N 0 0 446.541 6.262 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000035768695 519735189 /nfs/dbraw/zinc/73/51/89/519735189.db2.gz XACDRHOVMXLYEB-AREMUKBSSA-N 0 0 440.587 6.052 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000035768694 519735218 /nfs/dbraw/zinc/73/52/18/519735218.db2.gz XACDRHOVMXLYEB-SANMLTNESA-N 0 0 440.587 6.052 50 0 IKAARN CC(C)CNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1 ZINC000034679983 519735558 /nfs/dbraw/zinc/73/55/58/519735558.db2.gz BSAVSFTZZCVZFK-UHFFFAOYSA-N 0 0 436.502 5.127 50 0 IKAARN CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 ZINC000012804058 519738438 /nfs/dbraw/zinc/73/84/38/519738438.db2.gz FITPDAYDWGEVGK-QFIPXVFZSA-N 0 0 436.895 5.144 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000020888625 519742241 /nfs/dbraw/zinc/74/22/41/519742241.db2.gz FSTYUXSPYFBMMB-UHFFFAOYSA-N 0 0 434.546 5.048 50 0 IKAARN CC(C)CNC(=O)c1csc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)n1 ZINC000034713030 519742522 /nfs/dbraw/zinc/74/25/22/519742522.db2.gz RGDFMEFWNYGMKB-UHFFFAOYSA-N 0 0 434.483 5.794 50 0 IKAARN CC(C)CNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000034712111 519742565 /nfs/dbraw/zinc/74/25/65/519742565.db2.gz BFYISDCLDUMZDP-UHFFFAOYSA-N 0 0 435.376 6.082 50 0 IKAARN CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000012553100 519744743 /nfs/dbraw/zinc/74/47/43/519744743.db2.gz BWWIKNUVHFJQIZ-INIZCTEOSA-N 0 0 444.560 5.669 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2cccc(C)c2)c1 ZINC000012817477 519746481 /nfs/dbraw/zinc/74/64/81/519746481.db2.gz BHKDGTPAASSGNJ-RTWAWAEBSA-N 0 0 430.548 5.511 50 0 IKAARN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1c(Cl)cccc1Cl ZINC000012364448 519750250 /nfs/dbraw/zinc/75/02/50/519750250.db2.gz MQIIHEQWHKDYQW-UHFFFAOYSA-N 0 0 438.314 6.141 50 0 IKAARN CC(=O)O[C@@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@@H](c2ccc(C)cc2)C1(C)C ZINC000001075120 519757307 /nfs/dbraw/zinc/75/73/07/519757307.db2.gz VFYZBKMASOPBDO-XZOQPEGZSA-N 0 0 428.960 5.282 50 0 IKAARN CC(=O)O[C@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@H](c2ccc(C)cc2)C1(C)C ZINC000001075117 519758290 /nfs/dbraw/zinc/75/82/90/519758290.db2.gz VFYZBKMASOPBDO-PKTZIBPZSA-N 0 0 428.960 5.282 50 0 IKAARN CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 ZINC000012559533 519758659 /nfs/dbraw/zinc/75/86/59/519758659.db2.gz FGDWBSUXAAVICZ-UHFFFAOYSA-N 0 0 433.813 6.203 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385414 519766049 /nfs/dbraw/zinc/76/60/49/519766049.db2.gz AGQWFBYYDDXFNA-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000037385308 519766064 /nfs/dbraw/zinc/76/60/64/519766064.db2.gz AJKHRUYQMNWPFZ-UHFFFAOYSA-N 0 0 436.512 5.422 50 0 IKAARN CC(C)C[C@@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000001176055 519769945 /nfs/dbraw/zinc/76/99/45/519769945.db2.gz ACLDRWOHNQTWPV-KRWDZBQOSA-N 0 0 439.726 5.296 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000020515144 519779575 /nfs/dbraw/zinc/77/95/75/519779575.db2.gz SINXYJXNDSMRHH-SSEXGKCCSA-N 0 0 445.968 5.099 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000035945131 519791273 /nfs/dbraw/zinc/79/12/73/519791273.db2.gz XPCPOEGYSWOZFH-GOSISDBHSA-N 0 0 441.641 5.630 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl ZINC000012600608 519803219 /nfs/dbraw/zinc/80/32/19/519803219.db2.gz RVXLAJWXRNFIQJ-IFIJOSMWSA-N 0 0 431.754 5.263 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000035550859 519803260 /nfs/dbraw/zinc/80/32/60/519803260.db2.gz KJNSHWRAMQNRCS-IVMMDQJWSA-N 0 0 443.392 6.369 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000012599739 519803287 /nfs/dbraw/zinc/80/32/87/519803287.db2.gz KJNSHWRAMQNRCS-INWMFGNUSA-N 0 0 443.392 6.369 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000035945132 519811995 /nfs/dbraw/zinc/81/19/95/519811995.db2.gz XPCPOEGYSWOZFH-SFHVURJKSA-N 0 0 441.641 5.630 50 0 IKAARN CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)on1 ZINC000012712480 519831392 /nfs/dbraw/zinc/83/13/92/519831392.db2.gz TYEPWOPPPYHHOZ-LJQANCHMSA-N 0 0 435.499 5.095 50 0 IKAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)no1 ZINC000021718919 519833725 /nfs/dbraw/zinc/83/37/25/519833725.db2.gz KXKBQZGCJTXAEX-KRWDZBQOSA-N 0 0 430.302 5.193 50 0 IKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)CCc4cc(Cl)no4)ccc3o2)cc1 ZINC000012389592 519833734 /nfs/dbraw/zinc/83/37/34/519833734.db2.gz SNJWWGVRHLKPRO-UHFFFAOYSA-N 0 0 436.895 5.796 50 0 IKAARN CC(C)c1ccc(-c2nnc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)s2)cc1 ZINC000012697941 519833941 /nfs/dbraw/zinc/83/39/41/519833941.db2.gz BDWXBRZYCAZWOL-UHFFFAOYSA-N 0 0 446.580 5.784 50 0 IKAARN CC(C)c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 ZINC000009218494 519834027 /nfs/dbraw/zinc/83/40/27/519834027.db2.gz GPYJUZVCGMEWSS-UHFFFAOYSA-N 0 0 437.594 5.731 50 0 IKAARN CC(C)c1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)n2)cc1 ZINC000021103425 519834037 /nfs/dbraw/zinc/83/40/37/519834037.db2.gz HSIIFESWRXKQDV-UHFFFAOYSA-N 0 0 442.922 5.508 50 0 IKAARN CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)C2CC2)C2CC2)cc1 ZINC000036046187 519834057 /nfs/dbraw/zinc/83/40/57/519834057.db2.gz MXHHOYVDCFWDLR-UHFFFAOYSA-N 0 0 442.563 5.002 50 0 IKAARN CC(C)c1ccc(CSc2nnc(NC(=O)COc3ccc(Cl)cc3)s2)cc1 ZINC000035924491 519836407 /nfs/dbraw/zinc/83/64/07/519836407.db2.gz LYZSTULZFNYTIQ-UHFFFAOYSA-N 0 0 433.986 5.625 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000035910406 519836608 /nfs/dbraw/zinc/83/66/08/519836608.db2.gz NJQPNBWKINLBIM-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCC3CCCC3)c2)cc1 ZINC000035910435 519836747 /nfs/dbraw/zinc/83/67/47/519836747.db2.gz HEUOSSZSKKMUIM-SANMLTNESA-N 0 0 436.621 6.498 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000035910395 519836781 /nfs/dbraw/zinc/83/67/81/519836781.db2.gz SNKRAXFFXSWNRJ-DEOSSOPVSA-N 0 0 436.602 5.831 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COc3ccccc3)c2)cc1 ZINC000035910443 519836782 /nfs/dbraw/zinc/83/67/82/519836782.db2.gz YKVHWJCJYZJQQN-SANMLTNESA-N 0 0 446.572 5.606 50 0 IKAARN CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000018094198 519837299 /nfs/dbraw/zinc/83/72/99/519837299.db2.gz BDAAXGLGLLDSPE-OAQYLSRUSA-N 0 0 444.575 6.383 50 0 IKAARN CC(C)c1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000021915139 519837748 /nfs/dbraw/zinc/83/77/48/519837748.db2.gz SFFWDLLNJMDZAM-UHFFFAOYSA-N 0 0 427.548 5.899 50 0 IKAARN CC(C)c1ccc(Nc2c(-c3ccc(OC(F)(F)C(F)F)cc3)nc3ccccn32)cc1 ZINC000035606527 519837791 /nfs/dbraw/zinc/83/77/91/519837791.db2.gz QPAWOOLOKIKAJL-UHFFFAOYSA-N 0 0 443.444 7.105 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000012636629 519838810 /nfs/dbraw/zinc/83/88/10/519838810.db2.gz ZBFDQISZEKOCKU-UHFFFAOYSA-N 0 0 426.504 5.620 50 0 IKAARN CC(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021536342 519839768 /nfs/dbraw/zinc/83/97/68/519839768.db2.gz ALJMDLFSGCJOTK-HHHXNRCGSA-N 0 0 439.534 6.877 50 0 IKAARN CC(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021536351 519840363 /nfs/dbraw/zinc/84/03/63/519840363.db2.gz FXPTWZPEFZRKBZ-NDEPHWFRSA-N 0 0 435.571 6.416 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193077 519840453 /nfs/dbraw/zinc/84/04/53/519840453.db2.gz LYPPIHPRQAFBOM-ILBGXUMGSA-N 0 0 447.376 6.815 50 0 IKAARN CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@H]1CC2 ZINC000015305014 519840654 /nfs/dbraw/zinc/84/06/54/519840654.db2.gz VFXUNXVHKCKVQJ-CYXNTTPDSA-N 0 0 443.628 5.938 50 0 IKAARN CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@@H]1CC2 ZINC000015305027 519840671 /nfs/dbraw/zinc/84/06/71/519840671.db2.gz VFXUNXVHKCKVQJ-GSDHBNRESA-N 0 0 443.628 5.938 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000035927507 519844568 /nfs/dbraw/zinc/84/45/68/519844568.db2.gz LWOWLZFAICHIPT-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000035927512 519844731 /nfs/dbraw/zinc/84/47/31/519844731.db2.gz PLWJPBLKPNKGJC-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000035927511 519844760 /nfs/dbraw/zinc/84/47/60/519844760.db2.gz PLWJPBLKPNKGJC-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000035927536 519844764 /nfs/dbraw/zinc/84/47/64/519844764.db2.gz UQQRSTFIUVWRPC-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](C)c1ccccc1 ZINC000035987238 519847794 /nfs/dbraw/zinc/84/77/94/519847794.db2.gz DXLAQYYLNZCSRI-FQEVSTJZSA-N 0 0 437.543 6.550 50 0 IKAARN CC(C)c1ccccc1OCc1nc(CN(C(=O)c2ccc(F)cc2)C(C)C)cs1 ZINC000035718982 519847875 /nfs/dbraw/zinc/84/78/75/519847875.db2.gz QUUQTXBLRYOIDZ-UHFFFAOYSA-N 0 0 426.557 6.035 50 0 IKAARN CCCN1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)C1 ZINC000020840713 519863917 /nfs/dbraw/zinc/86/39/17/519863917.db2.gz JGFJXKFDPCIUDW-UHFFFAOYSA-N 0 0 439.437 5.641 50 0 IKAARN CCCC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892240 519869375 /nfs/dbraw/zinc/86/93/75/519869375.db2.gz RJVLWBRXVDIVOQ-UHFFFAOYSA-N 0 0 440.657 5.457 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(Cc4ccc(F)cc4)CC2)n1)CC[C@H](C)C3 ZINC000035892807 519872549 /nfs/dbraw/zinc/87/25/49/519872549.db2.gz LZIQBJPQRRCKMC-KRWDZBQOSA-N 0 0 438.616 5.401 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCCC4)CC2)n1)CC[C@H](C)C3 ZINC000035865771 519872633 /nfs/dbraw/zinc/87/26/33/519872633.db2.gz SLISPHQCBSJTEJ-KRWDZBQOSA-N 0 0 440.657 5.168 50 0 IKAARN CC(C)c1nc2oc3c(ncn(Cc4ccccc4Cl)c3=O)c2c2c1COC(C)(C)C2 ZINC000012324719 519872673 /nfs/dbraw/zinc/87/26/73/519872673.db2.gz MMIPZPGPQLITBK-UHFFFAOYSA-N 0 0 437.927 5.214 50 0 IKAARN CCCC(=O)Nc1c2ccn(Cc3cc(C)cc(C)c3)c2ccc1OC(=O)N(CC)CC ZINC000023333985 519877028 /nfs/dbraw/zinc/87/70/28/519877028.db2.gz YSXFHTMXHIWSFN-UHFFFAOYSA-N 0 0 435.568 5.886 50 0 IKAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1 ZINC000012824202 519877370 /nfs/dbraw/zinc/87/73/70/519877370.db2.gz SYLPNQTWRNHSRD-UHFFFAOYSA-N 0 0 445.943 5.315 50 0 IKAARN CCCC(=O)Nc1ccccc1SCc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000021888478 519880255 /nfs/dbraw/zinc/88/02/55/519880255.db2.gz YSWASEUGHKWLOP-UHFFFAOYSA-N 0 0 435.574 5.454 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000035980347 519882979 /nfs/dbraw/zinc/88/29/79/519882979.db2.gz PUGQBUDWDKOIPT-UHFFFAOYSA-N 0 0 436.556 5.220 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000035973131 519883034 /nfs/dbraw/zinc/88/30/34/519883034.db2.gz HRHREEOIUMVCAN-UHFFFAOYSA-N 0 0 436.556 5.313 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000035978524 519883052 /nfs/dbraw/zinc/88/30/52/519883052.db2.gz FTFHEXUTWOZIKA-UHFFFAOYSA-N 0 0 436.556 5.313 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000035978613 519883343 /nfs/dbraw/zinc/88/33/43/519883343.db2.gz HUYSPXCLWLJNTO-UHFFFAOYSA-N 0 0 432.568 5.613 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(C)C ZINC000035973115 519883379 /nfs/dbraw/zinc/88/33/79/519883379.db2.gz JCYPLWBAGSTPCD-UHFFFAOYSA-N 0 0 436.556 5.312 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000035980876 519883399 /nfs/dbraw/zinc/88/33/99/519883399.db2.gz BVZKKKKMSPZMES-UHFFFAOYSA-N 0 0 448.567 5.220 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000035978544 519883481 /nfs/dbraw/zinc/88/34/81/519883481.db2.gz MQTMDEATVMSPPX-UHFFFAOYSA-N 0 0 448.567 5.313 50 0 IKAARN CCCC(CCC)C(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccccc1OC ZINC000023429639 519883500 /nfs/dbraw/zinc/88/35/00/519883500.db2.gz JIYSMYXJMUUIEZ-SANMLTNESA-N 0 0 434.580 5.876 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(C(C)C)cc1)CCCC3 ZINC000021539288 519883911 /nfs/dbraw/zinc/88/39/11/519883911.db2.gz DEENIUMZHRSOIS-RUZDIDTESA-N 0 0 447.648 6.566 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OCC)cc1)CCCC3 ZINC000021917718 519884087 /nfs/dbraw/zinc/88/40/87/519884087.db2.gz GJBKERYZGLIJDO-XMMPIXPASA-N 0 0 449.620 5.841 50 0 IKAARN CCN(C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)c1cccc2ccccc21 ZINC000012498627 519897976 /nfs/dbraw/zinc/89/79/76/519897976.db2.gz RVXMCAPYAGEMHV-NCELDCMTSA-N 0 0 443.493 7.035 50 0 IKAARN CCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000020415547 519898007 /nfs/dbraw/zinc/89/80/07/519898007.db2.gz WNGJKTKUBVDLPU-UHFFFAOYSA-N 0 0 434.540 5.051 50 0 IKAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(CC(C)C)c2=O ZINC000033076944 519900947 /nfs/dbraw/zinc/90/09/47/519900947.db2.gz VFHISZBHCPJEQF-UHFFFAOYSA-N 0 0 444.000 5.138 50 0 IKAARN CC(C)c1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 ZINC000024766245 519908705 /nfs/dbraw/zinc/90/87/05/519908705.db2.gz VFUGMQKYJPDDTJ-MRXNPFEDSA-N 0 0 434.569 5.812 50 0 IKAARN CC(C)c1noc([C@H](C)Sc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 ZINC000012912088 519910744 /nfs/dbraw/zinc/91/07/44/519910744.db2.gz MXDHWDZCADIYRV-INIZCTEOSA-N 0 0 439.610 5.533 50 0 IKAARN CCCCC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000015777211 519913013 /nfs/dbraw/zinc/91/30/13/519913013.db2.gz DNGYSHANQPQRCV-MRXNPFEDSA-N 0 0 432.804 5.129 50 0 IKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 ZINC000020895013 519914554 /nfs/dbraw/zinc/91/45/54/519914554.db2.gz UHLHRQBGIISFHZ-UHFFFAOYSA-N 0 0 427.595 5.773 50 0 IKAARN CCCCC(=O)Nc1ccc2nc(SCc3cc(=O)n4c(C)csc4n3)sc2c1 ZINC000020984189 519914982 /nfs/dbraw/zinc/91/49/82/519914982.db2.gz YLTOVGOOMJRRRS-UHFFFAOYSA-N 0 0 444.607 5.095 50 0 IKAARN CCN(C(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21)C1CCCCC1 ZINC000012311738 519917216 /nfs/dbraw/zinc/91/72/16/519917216.db2.gz BBBFCFPIIMQNIZ-UHFFFAOYSA-N 0 0 430.548 5.548 50 0 IKAARN CCN(C(=O)COC(=O)c1c2ccccc2nc2c1CCCC2)c1cccc2ccccc21 ZINC000012616199 519917342 /nfs/dbraw/zinc/91/73/42/519917342.db2.gz SRSDLRKICKHBRV-UHFFFAOYSA-N 0 0 438.527 5.477 50 0 IKAARN CC(C)n1c(=O)c2c(nc1SCc1ccc(F)cc1Cl)c(-c1ccccc1)cn2C ZINC000033114572 519919420 /nfs/dbraw/zinc/91/94/20/519919420.db2.gz UVVBORUOWJLOMU-UHFFFAOYSA-N 0 0 441.959 6.068 50 0 IKAARN CCCCC1CCC(C(=O)Nc2ccccc2OCc2cc(=O)n3oc(C)cc3n2)CC1 ZINC000041089657 519919432 /nfs/dbraw/zinc/91/94/32/519919432.db2.gz NUDMEOFISVOYIU-UHFFFAOYSA-N 0 0 437.540 5.110 50 0 IKAARN CCN(C(=O)CSc1nnc(COc2cccc(C)c2)o1)c1cccc2ccccc21 ZINC000012674601 519921536 /nfs/dbraw/zinc/92/15/36/519921536.db2.gz IODACCJQMILTPJ-UHFFFAOYSA-N 0 0 433.533 5.255 50 0 IKAARN CC(C)n1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723334 519922732 /nfs/dbraw/zinc/92/27/32/519922732.db2.gz IHBWKIMTLGFAAW-UHFFFAOYSA-N 0 0 448.548 5.144 50 0 IKAARN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@H](O)[C@H]2[C@H]1c1ccccc1OC ZINC000017124051 519928784 /nfs/dbraw/zinc/92/87/84/519928784.db2.gz ASEVQPKUGBNXIJ-MSLLRLGPSA-N 0 0 448.607 6.233 50 0 IKAARN CC(C)n1c2nc(-c3ccc(Br)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603957 519930016 /nfs/dbraw/zinc/93/00/16/519930016.db2.gz SHCYKKQYMYBURE-UHFFFAOYSA-N 0 0 426.286 5.402 50 0 IKAARN CC(C)n1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036617104 519930033 /nfs/dbraw/zinc/93/00/33/519930033.db2.gz XGWQLPRMTHBTNR-UHFFFAOYSA-N 0 0 434.270 6.028 50 0 IKAARN CCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926988 519937375 /nfs/dbraw/zinc/93/73/75/519937375.db2.gz SZCBYGXBJLTDGA-NRFANRHFSA-N 0 0 436.499 6.003 50 0 IKAARN CCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927052 519937991 /nfs/dbraw/zinc/93/79/91/519937991.db2.gz RWGVBJPQURZXFT-NRFANRHFSA-N 0 0 436.499 6.003 50 0 IKAARN CCCCCCC(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865900 519953053 /nfs/dbraw/zinc/95/30/53/519953053.db2.gz FRYCBXUVWAGPAA-SFHVURJKSA-N 0 0 442.673 5.559 50 0 IKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000035912097 519957919 /nfs/dbraw/zinc/95/79/19/519957919.db2.gz HIJVZHNEMXGMIX-DEOSSOPVSA-N 0 0 426.582 5.773 50 0 IKAARN CCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000035924473 519958818 /nfs/dbraw/zinc/95/88/18/519958818.db2.gz RQJUGRHYEZYURU-UHFFFAOYSA-N 0 0 431.505 5.441 50 0 IKAARN CCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC(C)C)c1 ZINC000035711033 519959220 /nfs/dbraw/zinc/95/92/20/519959220.db2.gz HKLSDTPXDXVQFY-QHCPKHFHSA-N 0 0 443.588 5.297 50 0 IKAARN CCCCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(OC)cc1OC ZINC000035912401 519959242 /nfs/dbraw/zinc/95/92/42/519959242.db2.gz WSIIOEZYXZZHCA-XMMPIXPASA-N 0 0 442.581 5.391 50 0 IKAARN CCOCCOC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000021939336 519976027 /nfs/dbraw/zinc/97/60/27/519976027.db2.gz ATQDSAIDPFJCAA-UHFFFAOYSA-N 0 0 433.529 5.192 50 0 IKAARN CCN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1cccc(C)c1 ZINC000021915213 520058771 /nfs/dbraw/zinc/05/87/71/520058771.db2.gz BQWDHICRMMRREW-UHFFFAOYSA-N 0 0 427.548 5.498 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(Br)cc1Cl ZINC000012786242 520080077 /nfs/dbraw/zinc/08/00/77/520080077.db2.gz RSBIVLULVCPGJJ-UHFFFAOYSA-N 0 0 433.737 5.558 50 0 IKAARN CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)cnc21 ZINC000012854196 520080864 /nfs/dbraw/zinc/08/08/64/520080864.db2.gz WCVWBGNYRZNFOG-UHFFFAOYSA-N 0 0 442.342 5.151 50 0 IKAARN CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)cc1OC ZINC000035910623 520084746 /nfs/dbraw/zinc/08/47/46/520084746.db2.gz NNIUBKPCQOCUAE-QHCPKHFHSA-N 0 0 436.596 5.966 50 0 IKAARN CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192250 520108161 /nfs/dbraw/zinc/10/81/61/520108161.db2.gz WUEJOYYEXYZXNN-PXJZQJOASA-N 0 0 440.587 7.196 50 0 IKAARN CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000012555153 520108220 /nfs/dbraw/zinc/10/82/20/520108220.db2.gz PCCIVZOMRFDMLE-JYFHCDHNSA-N 0 0 432.589 6.950 50 0 IKAARN CCCCCCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)c(C)c2oc1=O ZINC000001902780 520136699 /nfs/dbraw/zinc/13/66/99/520136699.db2.gz OSOPALOQCRTTHH-UHFFFAOYSA-N 0 0 432.482 7.130 50 0 IKAARN CCCCCCc1ccc(C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000035752715 520136971 /nfs/dbraw/zinc/13/69/71/520136971.db2.gz ARKDMPTZOMTOJN-QGZVFWFLSA-N 0 0 436.581 5.085 50 0 IKAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CCCC1 ZINC000035809403 520154458 /nfs/dbraw/zinc/15/44/58/520154458.db2.gz OFDFPCQUNYOYCH-UHFFFAOYSA-N 0 0 438.612 5.368 50 0 IKAARN CCCCCN1CC(=O)N2C[C@@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012872821 520181077 /nfs/dbraw/zinc/18/10/77/520181077.db2.gz JCBNIGDJJIATDY-FNZWTVRRSA-N 0 0 449.982 5.043 50 0 biogenic IKAARN CCCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1cccc(C(F)(F)F)c1 ZINC000035889160 520196622 /nfs/dbraw/zinc/19/66/22/520196622.db2.gz FYZDZXRGLRSQQS-OAQYLSRUSA-N 0 0 430.514 6.578 50 0 IKAARN CCOP(=O)(CN(CCc1ccccc1)C(=S)Nc1cccc(OC)c1)OCC ZINC000020680116 520240097 /nfs/dbraw/zinc/24/00/97/520240097.db2.gz BUWPJSPSRHGKBU-UHFFFAOYSA-N 0 0 436.514 5.160 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@@H]2c1ccc(F)cc1 ZINC000103546956 520288233 /nfs/dbraw/zinc/28/82/33/520288233.db2.gz NWGKGPICPVVJLY-LJQANCHMSA-N 0 0 446.547 6.551 50 0 IKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc(C)n1 ZINC000012225885 520314027 /nfs/dbraw/zinc/31/40/27/520314027.db2.gz JKJALDJNYMSPPB-UHFFFAOYSA-N 0 0 441.919 5.623 50 0 IKAARN CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1 ZINC000013894725 520321398 /nfs/dbraw/zinc/32/13/98/520321398.db2.gz GPTUUVAXGXRVQW-UHFFFAOYSA-N 0 0 428.532 6.821 50 0 IKAARN CCCCCn1cnnc1S[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000012772693 520335212 /nfs/dbraw/zinc/33/52/12/520335212.db2.gz SPVXWGGRQKXBCX-KRWDZBQOSA-N 0 0 426.611 5.739 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccccc1C(F)(F)F ZINC000012568693 520340228 /nfs/dbraw/zinc/34/02/28/520340228.db2.gz PHRNCZXALPOJSD-UHFFFAOYSA-N 0 0 449.347 5.309 50 0 IKAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000035171072 520340655 /nfs/dbraw/zinc/34/06/55/520340655.db2.gz LGTPTRSVCVMZDG-SFHVURJKSA-N 0 0 437.927 5.240 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1occc1COc1ccccc1 ZINC000022282481 520351951 /nfs/dbraw/zinc/35/19/51/520351951.db2.gz RCNNVLOFWKVFDV-UHFFFAOYSA-N 0 0 447.318 5.266 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000012789702 520353157 /nfs/dbraw/zinc/35/31/57/520353157.db2.gz QSXKZLBNUBKQPW-UHFFFAOYSA-N 0 0 438.742 5.762 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010651 520364318 /nfs/dbraw/zinc/36/43/18/520364318.db2.gz FZTAVWLBKCEVIG-UHFFFAOYSA-N 0 0 438.531 5.606 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1OC ZINC000035170872 520422692 /nfs/dbraw/zinc/42/26/92/520422692.db2.gz IFLDOOUWOABTNH-INIZCTEOSA-N 0 0 425.916 5.106 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OCC ZINC000021725600 520422724 /nfs/dbraw/zinc/42/27/24/520422724.db2.gz DDSOGEZSFFRVOQ-INIZCTEOSA-N 0 0 448.548 5.144 50 0 IKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000012194082 520434029 /nfs/dbraw/zinc/43/40/29/520434029.db2.gz KMFYGZYUQZOHCZ-XNMGPUDCSA-N 0 0 428.532 6.116 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)cc1 ZINC000033271583 520434199 /nfs/dbraw/zinc/43/41/99/520434199.db2.gz AGUIGFFQLWNEPS-GOSISDBHSA-N 0 0 448.548 5.062 50 0 IKAARN CCCCN(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1c(F)cccc1F ZINC000035843637 520441821 /nfs/dbraw/zinc/44/18/21/520441821.db2.gz GCLMELAYOQEEGE-JOCHJYFZSA-N 0 0 438.971 5.495 50 0 IKAARN CCCCN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843636 520442620 /nfs/dbraw/zinc/44/26/20/520442620.db2.gz MMNCERGMCAPLTP-QFIPXVFZSA-N 0 0 438.971 5.495 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000012453649 520462659 /nfs/dbraw/zinc/46/26/59/520462659.db2.gz RNQGDDKDDQAAQS-UHFFFAOYSA-N 0 0 444.959 5.077 50 0 IKAARN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(C(=O)c2sccc2C)CC1 ZINC000012759575 520465320 /nfs/dbraw/zinc/46/53/20/520465320.db2.gz PKIQPMPDMKKLLQ-UHFFFAOYSA-N 0 0 439.499 5.104 50 0 IKAARN CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271540 520466956 /nfs/dbraw/zinc/46/69/56/520466956.db2.gz SLFQJQZNFOZGTG-SFHVURJKSA-N 0 0 432.549 5.362 50 0 IKAARN CCCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012437248 520486590 /nfs/dbraw/zinc/48/65/90/520486590.db2.gz BTTFXCVYZPNVNL-UHSQPCAPSA-N 0 0 434.539 6.871 50 0 IKAARN CCN(CC)C(=O)C[C@@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000035768479 520496990 /nfs/dbraw/zinc/49/69/90/520496990.db2.gz NDWJCDXJXPJICF-JOCHJYFZSA-N 0 0 434.580 6.281 50 0 IKAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc21 ZINC000017286506 520526106 /nfs/dbraw/zinc/52/61/06/520526106.db2.gz RXOXNWPCNYEUBA-UHFFFAOYSA-N 0 0 448.588 5.027 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000012802669 520551262 /nfs/dbraw/zinc/55/12/62/520551262.db2.gz HLMSCAFDILTRBM-RUZDIDTESA-N 0 0 449.982 5.140 50 0 IKAARN CCOC(=O)C1CCN(C(=O)C[C@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000035872109 520562123 /nfs/dbraw/zinc/56/21/23/520562123.db2.gz XXWMGBHVNDVEHV-DEOSSOPVSA-N 0 0 446.591 5.293 50 0 IKAARN CCCSCCCNc1nc(-c2nnc(-c3ccc(OC)cc3)o2)nc2ccccc21 ZINC000035560802 520564181 /nfs/dbraw/zinc/56/41/81/520564181.db2.gz FHKVVPJZJVEQDI-UHFFFAOYSA-N 0 0 435.553 5.301 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccc(Cl)c1 ZINC000034927678 520568209 /nfs/dbraw/zinc/56/82/09/520568209.db2.gz CYGABHLQHCHTQN-BJKOFHAPSA-N 0 0 447.966 5.132 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3)c2O1 ZINC000009659760 520584753 /nfs/dbraw/zinc/58/47/53/520584753.db2.gz PINZUABXTNXRAZ-UHFFFAOYSA-N 0 0 441.449 6.250 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3)c2O1 ZINC000009659759 520585320 /nfs/dbraw/zinc/58/53/20/520585320.db2.gz GYOJEVLJGZBIQJ-UHFFFAOYSA-N 0 0 441.449 6.250 50 0 IKAARN CCOc1c(Br)cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1OC ZINC000018917650 520589566 /nfs/dbraw/zinc/58/95/66/520589566.db2.gz VNWOCPNBYFYHKZ-QPEQYQDCSA-N 0 0 441.734 5.705 50 0 IKAARN CCOc1c(Cl)cc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1OC ZINC000021953764 520597020 /nfs/dbraw/zinc/59/70/20/520597020.db2.gz ODMCDKVUJKQXKA-UHFFFAOYSA-N 0 0 435.958 5.143 50 0 IKAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCc1cccc(C(F)(F)F)c1 ZINC000021117434 520598118 /nfs/dbraw/zinc/59/81/18/520598118.db2.gz KEDYZXKDTUTGMM-UHFFFAOYSA-N 0 0 428.501 5.304 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(Cl)c(C)c2)CC1=O ZINC000021524555 520598522 /nfs/dbraw/zinc/59/85/22/520598522.db2.gz IHWIHDVIFWQVRQ-IBGZPJMESA-N 0 0 439.987 5.583 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O ZINC000021524506 520599736 /nfs/dbraw/zinc/59/97/36/520599736.db2.gz AJDQCVBMVFMBPF-IBGZPJMESA-N 0 0 439.987 5.665 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(C(C)C)cc2)=Nc2ccccc2N1 ZINC000021152644 520611211 /nfs/dbraw/zinc/61/12/11/520611211.db2.gz BCWZLNVAYDIKKJ-UHFFFAOYSA-N 0 0 437.565 5.475 50 0 IKAARN CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c21 ZINC000012658935 520611448 /nfs/dbraw/zinc/61/14/48/520611448.db2.gz ILNUNXQXTHKJTB-XAYXJRQQSA-N 0 0 429.516 6.370 50 0 biogenic IKAARN CCOc1c2cc(NC(=O)c3cccc(Br)c3)ccc2sc1C(=O)OC ZINC000033123420 520611986 /nfs/dbraw/zinc/61/19/86/520611986.db2.gz FBOMHIUZYKTMNV-UHFFFAOYSA-N 0 0 434.311 5.101 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21 ZINC000032986732 520612364 /nfs/dbraw/zinc/61/23/64/520612364.db2.gz CNSHMAJGBRMADG-UHFFFAOYSA-N 0 0 440.499 5.632 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccccc3CC)cc21 ZINC000033278604 520612431 /nfs/dbraw/zinc/61/24/31/520612431.db2.gz ZJSQTUVSENSBQO-UHFFFAOYSA-N 0 0 429.495 6.646 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CCc4ccccc4C3)cc21 ZINC000032986655 520613147 /nfs/dbraw/zinc/61/31/47/520613147.db2.gz QHGNQIHVVPAGDB-UHFFFAOYSA-N 0 0 438.527 5.508 50 0 IKAARN CCOc1cc(-c2cccs2)c/c(=N\c2ccc(OC)cc2OC)c2c(C)oc(C)c21 ZINC000012659424 520614616 /nfs/dbraw/zinc/61/46/16/520614616.db2.gz NVWUMCPCUPNKFE-LHLOQNFPSA-N 0 0 435.545 6.426 50 0 biogenic IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000000702334 520628988 /nfs/dbraw/zinc/62/89/88/520628988.db2.gz HGULZIZJVDBRTI-WCQYABFASA-N 0 0 432.373 5.499 50 0 IKAARN CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000001179851 520633746 /nfs/dbraw/zinc/63/37/46/520633746.db2.gz IKCWYOAKHJJADZ-WQRHYEAKSA-N 0 0 435.904 5.513 50 0 IKAARN CCC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000016050571 520655639 /nfs/dbraw/zinc/65/56/39/520655639.db2.gz GXTXTNAAMUKMTI-WECAROLCSA-N 0 0 434.561 5.245 50 0 IKAARN CCOC(=O)CCCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000035691372 520662392 /nfs/dbraw/zinc/66/23/92/520662392.db2.gz BJVKHERKIDSDNE-UHFFFAOYSA-N 0 0 437.348 5.128 50 0 IKAARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc3ccccc3nc12 ZINC000012402061 520685288 /nfs/dbraw/zinc/68/52/88/520685288.db2.gz ZUKPCHLNQRQMCG-PKTZIBPZSA-N 0 0 441.453 5.496 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000020935696 520724717 /nfs/dbraw/zinc/72/47/17/520724717.db2.gz VVHMKFAIMJTOAR-UHFFFAOYSA-N 0 0 425.916 5.102 50 0 IKAARN CC1(COc2ccc(CN(C(=O)c3cccc(-c4ccc(F)cc4)c3)C3CC3)cc2)COC1 ZINC000012191499 520745767 /nfs/dbraw/zinc/74/57/67/520745767.db2.gz JLFNNAHDXZCNFV-UHFFFAOYSA-N 0 0 445.534 5.713 50 0 IKAARN CCOc1cc(NC(=O)[C@H](CC)c2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000020886026 520757602 /nfs/dbraw/zinc/75/76/02/520757602.db2.gz LNRUQPIRFFDIMQ-OAQYLSRUSA-N 0 0 446.547 5.869 50 0 IKAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)ccc1O ZINC000021788147 520779854 /nfs/dbraw/zinc/77/98/54/520779854.db2.gz RLRLZFRUHIWHQP-NRFANRHFSA-N 0 0 443.956 5.022 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)ccc1OCc1ccccc1 ZINC000015947764 520784917 /nfs/dbraw/zinc/78/49/17/520784917.db2.gz CAMGTXMMPQJEJN-FYSMJZIKSA-N 0 0 448.588 6.280 50 0 IKAARN CCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc31)O[C@@H](C)C2 ZINC000026885833 520796450 /nfs/dbraw/zinc/79/64/50/520796450.db2.gz QXLITHSKEXZUHF-INIZCTEOSA-N 0 0 425.488 5.271 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)N(c1ccc(C)c(F)c1)C(=O)C2 ZINC000020868034 520798759 /nfs/dbraw/zinc/79/87/59/520798759.db2.gz ZTYFKXOXUDLWOE-MUUNZHRXSA-N 0 0 447.550 6.173 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)N(c1ccc(C)c(F)c1)C(=O)C2 ZINC000020868030 520799444 /nfs/dbraw/zinc/79/94/44/520799444.db2.gz ZTYFKXOXUDLWOE-NDEPHWFRSA-N 0 0 447.550 6.173 50 0 IKAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)Nc2ccccc2C)c3C)cc1OCC ZINC000021913847 520803051 /nfs/dbraw/zinc/80/30/51/520803051.db2.gz JJEMYAYOYBYQAD-UHFFFAOYSA-N 0 0 444.535 5.371 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000012622184 520807126 /nfs/dbraw/zinc/80/71/26/520807126.db2.gz UCBUOHULJPFDJW-INIZCTEOSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cccc(OC)c3)c2)cc1 ZINC000012860207 520808118 /nfs/dbraw/zinc/80/81/18/520808118.db2.gz ZSBQDQMACFWTLQ-ZZIIXHQDSA-N 0 0 429.516 6.365 50 0 biogenic IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(F)c(F)c3)n2)cc1 ZINC000012442164 520811113 /nfs/dbraw/zinc/81/11/13/520811113.db2.gz LBPDEGPEAAEAHM-UHFFFAOYSA-N 0 0 440.475 5.233 50 0 IKAARN CCOc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@H](c3ccccc3)CC4=O)n2)cc1 ZINC000021365844 520811243 /nfs/dbraw/zinc/81/12/43/520811243.db2.gz MIFZKCUNQQMLKN-SFHVURJKSA-N 0 0 442.540 5.477 50 0 IKAARN CCOc1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)cc1OCC ZINC000065032398 520813707 /nfs/dbraw/zinc/81/37/07/520813707.db2.gz JQYYDVTXIVKKLB-UHFFFAOYSA-N 0 0 433.533 6.202 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3CC)cs2)cc1 ZINC000012918189 520820501 /nfs/dbraw/zinc/82/05/01/520820501.db2.gz GFVRKJPLRMORSQ-UHFFFAOYSA-N 0 0 428.608 5.841 50 0 IKAARN CCOc1ccc(-c2nc(NC(=O)CCCc3nc(-c4ccccc4)no3)sc2C)cc1 ZINC000014678888 520820971 /nfs/dbraw/zinc/82/09/71/520820971.db2.gz WWBIXVREACBIGG-UHFFFAOYSA-N 0 0 448.548 5.529 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccccc32)cc1 ZINC000021541074 520823641 /nfs/dbraw/zinc/82/36/41/520823641.db2.gz BDFQAZQGQYXOQF-UHFFFAOYSA-N 0 0 428.536 5.099 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996545 520823670 /nfs/dbraw/zinc/82/36/70/520823670.db2.gz YDYRAESWGYERCP-UHFFFAOYSA-N 0 0 446.526 5.238 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c3c2cnc2ccccc32)cc1 ZINC000020996459 520823864 /nfs/dbraw/zinc/82/38/64/520823864.db2.gz QDRVXEZUYWXCMV-UHFFFAOYSA-N 0 0 436.515 5.597 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)Nc3ccccc3F)c3c2cnc2ccccc32)cc1 ZINC000020996510 520824016 /nfs/dbraw/zinc/82/40/16/520824016.db2.gz JFCDTBAMOCCSRO-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN CCOc1ccc(-c2noc(-c3cc4cc(C(C)(C)C)cc(OC(C)=O)c4oc3=O)n2)cc1 ZINC000020923737 520825459 /nfs/dbraw/zinc/82/54/59/520825459.db2.gz VWSZKFBWEGDWOZ-UHFFFAOYSA-N 0 0 448.475 5.132 50 0 IKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(C(C)C)cc4)nn3)n2)cc1 ZINC000033022134 520827698 /nfs/dbraw/zinc/82/76/98/520827698.db2.gz XFXXMBNZQPTUQJ-UHFFFAOYSA-N 0 0 432.549 6.008 50 0 IKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)cc1OC ZINC000033022111 520828038 /nfs/dbraw/zinc/82/80/38/520828038.db2.gz FHHDLUQKCSUKOG-UHFFFAOYSA-N 0 0 448.548 5.510 50 0 IKAARN CCOc1ccc(-n2c(/C=C/c3ccc(F)cc3)nc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000020662538 520831011 /nfs/dbraw/zinc/83/10/11/520831011.db2.gz ILYHCCSQKUXPPB-VGOFMYFVSA-N 0 0 446.478 5.111 50 0 IKAARN CCOc1ccc(-n2c(SCc3cccnc3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000012522642 520835951 /nfs/dbraw/zinc/83/59/51/520835951.db2.gz MBFZLHFYBIBODJ-UHFFFAOYSA-N 0 0 427.533 5.502 50 0 IKAARN CC1=CC(C)(C)N(C(=O)/C=C/c2ccccc2)c2ccc(OC(=O)/C=C\c3ccccc3)cc21 ZINC000033926850 520852821 /nfs/dbraw/zinc/85/28/21/520852821.db2.gz IIFVKEOOJCVEJF-CBSGOVTASA-N 0 0 449.550 6.547 50 0 IKAARN CCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCc3cccnc3)cc2)n1 ZINC000036049777 520875822 /nfs/dbraw/zinc/87/58/22/520875822.db2.gz NTWKDOJSQLIPFJ-UHFFFAOYSA-N 0 0 449.624 5.064 50 0 IKAARN CCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCc3ccncc3)cc2)n1 ZINC000036049775 520876101 /nfs/dbraw/zinc/87/61/01/520876101.db2.gz OLOJOWLLOKLJKJ-UHFFFAOYSA-N 0 0 449.624 5.064 50 0 IKAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 ZINC000017288050 520876114 /nfs/dbraw/zinc/87/61/14/520876114.db2.gz SISJSGDNHTYZRE-UHFFFAOYSA-N 0 0 427.911 5.420 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(SCc3noc(-c4ccsc4)n3)n2CC)cc1 ZINC000012522330 520877900 /nfs/dbraw/zinc/87/79/00/520877900.db2.gz LDIGBRMYAUSDFR-UHFFFAOYSA-N 0 0 440.598 5.215 50 0 IKAARN CCOc1ccc(C(=O)COC(=O)c2ccccc2SCc2csc(C)n2)cc1 ZINC000014846696 520888638 /nfs/dbraw/zinc/88/86/38/520888638.db2.gz RCTRWYUESYRBGX-UHFFFAOYSA-N 0 0 427.547 5.182 50 0 IKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC ZINC000021725533 520894520 /nfs/dbraw/zinc/89/45/20/520894520.db2.gz VCMSUQZIFUPCJF-INIZCTEOSA-N 0 0 448.548 5.144 50 0 IKAARN CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012564475 520895441 /nfs/dbraw/zinc/89/54/41/520895441.db2.gz LNEPPPXYIHASAJ-FQEVSTJZSA-N 0 0 447.457 5.151 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012195432 520895718 /nfs/dbraw/zinc/89/57/18/520895718.db2.gz LXXJZTMDCOKJQF-RSXGOPAZSA-N 0 0 432.951 6.761 50 0 IKAARN CCCCOc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 ZINC000012410730 520896327 /nfs/dbraw/zinc/89/63/27/520896327.db2.gz UFRSRYIRDGWLPU-MHZLTWQESA-N 0 0 447.594 7.728 50 0 IKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157836 520897032 /nfs/dbraw/zinc/89/70/32/520897032.db2.gz MAHBWUVYCWQSOP-GOSISDBHSA-N 0 0 441.980 6.730 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012195438 520898574 /nfs/dbraw/zinc/89/85/74/520898574.db2.gz LXXJZTMDCOKJQF-AOYPEHQESA-N 0 0 432.951 6.761 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1Cl ZINC000012651160 520917218 /nfs/dbraw/zinc/91/72/18/520917218.db2.gz CSAZJMBZBYANKQ-UHFFFAOYSA-N 0 0 434.927 5.596 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000000724602 520918206 /nfs/dbraw/zinc/91/82/06/520918206.db2.gz ULJSCVYQLNITEO-UHFFFAOYSA-N 0 0 428.701 5.043 50 0 IKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(Cl)c(Cl)c1)cc2C(F)F ZINC000020615255 520920523 /nfs/dbraw/zinc/92/05/23/520920523.db2.gz JVEOFVAAEQPPCF-UHFFFAOYSA-N 0 0 440.277 5.783 50 0 IKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(C13CC4CC(CC(C4)C1)C3)cc2C(F)(F)F ZINC000020615964 520921554 /nfs/dbraw/zinc/92/15/54/520921554.db2.gz GRDUFGRGHGAOFZ-UHFFFAOYSA-N 0 0 447.501 5.358 50 0 IKAARN CCOC(=O)N1CCC(C(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)CC1 ZINC000014711427 520922910 /nfs/dbraw/zinc/92/29/10/520922910.db2.gz RDYDEJWKTSIXJB-UHFFFAOYSA-N 0 0 437.565 5.006 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)cs3)c(=O)oc2c1 ZINC000002207552 520925550 /nfs/dbraw/zinc/92/55/50/520925550.db2.gz XCONGNJZGHYSRW-UHFFFAOYSA-N 0 0 426.541 6.583 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000248376925 520929673 /nfs/dbraw/zinc/92/96/73/520929673.db2.gz FBNCKCALIKJOOQ-UPVQGACJSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccco2)cc1 ZINC000245015139 520929901 /nfs/dbraw/zinc/92/99/01/520929901.db2.gz LNTNLAJINDHWHT-KNQAVFIVSA-N 0 0 439.309 5.683 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012196568 520929971 /nfs/dbraw/zinc/92/99/71/520929971.db2.gz BDXPVCDDWVGIKZ-WIOPSUGQSA-N 0 0 436.458 5.614 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020738381 520930054 /nfs/dbraw/zinc/93/00/54/520930054.db2.gz LYYOOADMOFBLJH-RPLLCQBOSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012195914 520930398 /nfs/dbraw/zinc/93/03/98/520930398.db2.gz OMRRETJWKNWXNK-LADGPHEKSA-N 0 0 440.877 6.259 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000012195866 520930409 /nfs/dbraw/zinc/93/04/09/520930409.db2.gz REHWOVJLBUKDGQ-RSXGOPAZSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012195919 520930461 /nfs/dbraw/zinc/93/04/61/520930461.db2.gz OMRRETJWKNWXNK-ISKFKSNPSA-N 0 0 440.877 6.259 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000012196591 520932191 /nfs/dbraw/zinc/93/21/91/520932191.db2.gz HAOLSZMHWDKLOT-ZEQKJWHPSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1OCC ZINC000033169283 520938506 /nfs/dbraw/zinc/93/85/06/520938506.db2.gz FCOYCSQYLLQNJN-UHFFFAOYSA-N 0 0 442.515 5.987 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccccc2SCc2cccs2)cc1OCC ZINC000021703557 520954939 /nfs/dbraw/zinc/95/49/39/520954939.db2.gz NSOUFBNFEGPBEU-UHFFFAOYSA-N 0 0 441.618 5.810 50 0 IKAARN CCCCSCCCNC(=O)CSCc1nc(-c2ccc(OCC)cc2)oc1C ZINC000020736576 520954930 /nfs/dbraw/zinc/95/49/30/520954930.db2.gz IEUYHDKDJRGXTM-UHFFFAOYSA-N 0 0 436.643 5.322 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(CC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997154 520980904 /nfs/dbraw/zinc/98/09/04/520980904.db2.gz CGTINUWYQKGWNF-HSZRJFAPSA-N 0 0 434.565 5.437 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)c(C)c1)N(C(C)=O)c1ccccc1-2 ZINC000032997155 520981405 /nfs/dbraw/zinc/98/14/05/520981405.db2.gz OIFOEMPCVGXWKJ-QHCPKHFHSA-N 0 0 434.565 5.492 50 0 IKAARN CCC[C@H](C(=O)NCc1ccccn1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037385640 520982801 /nfs/dbraw/zinc/98/28/01/520982801.db2.gz BBIGHWSQOKSXKI-HSZRJFAPSA-N 0 0 432.955 5.333 50 0 IKAARN CC1CCN(C(=O)c2ccc(Oc3ccc(NC(=O)c4cccc(Cl)c4)cn3)cc2)CC1 ZINC000033281386 520990675 /nfs/dbraw/zinc/99/06/75/520990675.db2.gz BSNAUSNRTYVWPB-UHFFFAOYSA-N 0 0 449.938 5.652 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)cc1 ZINC000015682092 520997212 /nfs/dbraw/zinc/99/72/12/520997212.db2.gz WAACZDXAQLZZNE-UHFFFAOYSA-N 0 0 442.515 5.558 50 0 IKAARN CCOc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)cc1 ZINC000020464741 520999105 /nfs/dbraw/zinc/99/91/05/520999105.db2.gz QTQOEYPIISDGMD-UHFFFAOYSA-N 0 0 447.531 5.738 50 0 biogenic IKAARN CCOc1ccc(CNc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035560856 521011369 /nfs/dbraw/zinc/01/13/69/521011369.db2.gz DGQCGQYRCYMYPZ-UHFFFAOYSA-N 0 0 437.503 5.666 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2OCC)c1 ZINC000035925015 521022248 /nfs/dbraw/zinc/02/22/48/521022248.db2.gz IXBJTGVDDDXCCL-CJAUYULYSA-N 0 0 440.609 6.019 50 0 IKAARN CCOc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000012843625 521030769 /nfs/dbraw/zinc/03/07/69/521030769.db2.gz QWOMHHNBUFKXTB-UHFFFAOYSA-N 0 0 436.360 5.788 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)CN1c2ccccc2S/C(=C\c2ccc(C)cc2)C1=O ZINC000020726498 521031787 /nfs/dbraw/zinc/03/17/87/521031787.db2.gz ZBTQNRRPZIEGIC-VMTJQQBPSA-N 0 0 436.621 5.807 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3C)cc2)cc1 ZINC000035912067 521035121 /nfs/dbraw/zinc/03/51/21/521035121.db2.gz LDZIBYRSXDJXGX-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000035912133 521035478 /nfs/dbraw/zinc/03/54/78/521035478.db2.gz HNAAOAOGONEVEY-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(CC)cc3)c2)cc1 ZINC000035912167 521036071 /nfs/dbraw/zinc/03/60/71/521036071.db2.gz ORKYQVCBDZXFQJ-SANMLTNESA-N 0 0 446.572 5.679 50 0 IKAARN CCCC[C@@H](CC)C[Si](C[C@H](CC)CCCC)(C[C@@H](CC)CCCC)c1ccccc1 ZINC000169818787 521037953 /nfs/dbraw/zinc/03/79/53/521037953.db2.gz PBEVPYBJVHYCLP-NLDZOOGBSA-N 0 0 444.864 9.992 50 0 IKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000012411850 521039107 /nfs/dbraw/zinc/03/91/07/521039107.db2.gz FBUQIMWVPMWSDM-RUZDIDTESA-N 0 0 443.478 5.373 50 0 IKAARN CC1CCN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)cc2)CC1 ZINC000035447450 521044510 /nfs/dbraw/zinc/04/45/10/521044510.db2.gz QPHWLMJAZWUHHM-FQEVSTJZSA-N 0 0 439.987 5.067 50 0 IKAARN CC1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035930040 521049507 /nfs/dbraw/zinc/04/95/07/521049507.db2.gz YXYYXGJFRQRCBN-UHFFFAOYSA-N 0 0 436.922 5.094 50 0 IKAARN CCOc1ccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc1 ZINC000020282575 521056544 /nfs/dbraw/zinc/05/65/44/521056544.db2.gz IERNXNOYXUZNDH-UHFFFAOYSA-N 0 0 432.499 5.122 50 0 IKAARN CCOc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1 ZINC000020996435 521075693 /nfs/dbraw/zinc/07/56/93/521075693.db2.gz DRUPUXVUDDVWOW-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908792 521085732 /nfs/dbraw/zinc/08/57/32/521085732.db2.gz HOVAQURDLSOLMS-HSZRJFAPSA-N 0 0 445.494 6.402 50 0 IKAARN CCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000035970343 521088903 /nfs/dbraw/zinc/08/89/03/521088903.db2.gz OFCHRLPLJATTEP-UHFFFAOYSA-N 0 0 439.943 5.536 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021879857 521089261 /nfs/dbraw/zinc/08/92/61/521089261.db2.gz DPLLWOZHHWEUDZ-VWLOTQADSA-N 0 0 429.495 5.885 50 0 IKAARN CCC(=O)N(c1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)s1)C1CC1 ZINC000012675799 521090574 /nfs/dbraw/zinc/09/05/74/521090574.db2.gz NOCOBFCILXRTNV-UHFFFAOYSA-N 0 0 429.611 5.466 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000021893331 521091362 /nfs/dbraw/zinc/09/13/62/521091362.db2.gz QHSXLYIHKRNTAU-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000021893327 521091827 /nfs/dbraw/zinc/09/18/27/521091827.db2.gz QHSXLYIHKRNTAU-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCC(=O)N(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000035976979 521091921 /nfs/dbraw/zinc/09/19/21/521091921.db2.gz PWBMJBWZFQTMRM-UHFFFAOYSA-N 0 0 429.520 5.813 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3nc(C)n(-c4ccc(Cl)cc4)c(=O)c3c2)cc1 ZINC000022500587 521101438 /nfs/dbraw/zinc/10/14/38/521101438.db2.gz NNKYLCPOYLTBOB-UHFFFAOYSA-N 0 0 448.910 5.390 50 0 IKAARN CCOc1ccc(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)cc1OCC ZINC000012858851 521113015 /nfs/dbraw/zinc/11/30/15/521113015.db2.gz AHVKCTIGJRHYLP-UHFFFAOYSA-N 0 0 429.567 5.285 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000020579024 521114318 /nfs/dbraw/zinc/11/43/18/521114318.db2.gz XVXJDFVMAVTWKO-UHFFFAOYSA-N 0 0 434.927 5.650 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(-c3nc4cccnc4n3C3CCCCC3)cc2)cc1 ZINC000033310163 521115482 /nfs/dbraw/zinc/11/54/82/521115482.db2.gz RWJXCZCJMINRLP-UHFFFAOYSA-N 0 0 440.547 6.255 50 0 IKAARN CCOc1ccc(NC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)cc1 ZINC000021043220 521115685 /nfs/dbraw/zinc/11/56/85/521115685.db2.gz DFUHMRGYJZXJFE-UHFFFAOYSA-N 0 0 429.545 5.659 50 0 IKAARN CCOc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1OCC ZINC000012910929 521121498 /nfs/dbraw/zinc/12/14/98/521121498.db2.gz LBYWUQUGIZNRLQ-UHFFFAOYSA-N 0 0 437.393 5.080 50 0 IKAARN CCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447031 521123647 /nfs/dbraw/zinc/12/36/47/521123647.db2.gz XMOALVBFZYUAEM-LOSJGSFVSA-N 0 0 432.004 5.233 50 0 IKAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000016426429 521124379 /nfs/dbraw/zinc/12/43/79/521124379.db2.gz XKNYQSLXHAYYRI-UHFFFAOYSA-N 0 0 447.966 5.318 50 0 IKAARN CCOc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012419537 521140040 /nfs/dbraw/zinc/14/00/40/521140040.db2.gz FWSDWRLPBVVLJR-UHFFFAOYSA-N 0 0 444.896 5.563 50 0 IKAARN CCC[C@H](NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000012599386 521140536 /nfs/dbraw/zinc/14/05/36/521140536.db2.gz JYKFBMVOAOFWHI-KKSFZXQISA-N 0 0 438.572 5.557 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 ZINC000022668409 521157869 /nfs/dbraw/zinc/15/78/69/521157869.db2.gz YBZUIMQQNZUSAA-BVZFJXPGSA-N 0 0 425.569 5.403 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928501 521162935 /nfs/dbraw/zinc/16/29/35/521162935.db2.gz CKVYUZCREVIGJH-AVRWGWEMSA-N 0 0 439.625 5.686 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F ZINC000035928237 521164487 /nfs/dbraw/zinc/16/44/87/521164487.db2.gz KBAJJVFMRZYNRH-WNSKOXEYSA-N 0 0 432.536 5.898 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccco1 ZINC000018153929 521166246 /nfs/dbraw/zinc/16/62/46/521166246.db2.gz PBWAMMDVIMLGAN-FQEVSTJZSA-N 0 0 445.906 5.529 50 0 IKAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1ccc(C)cc1 ZINC000032998132 521166350 /nfs/dbraw/zinc/16/63/50/521166350.db2.gz JQVLWTWYPLFYTK-FQEVSTJZSA-N 0 0 426.929 5.057 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c1 ZINC000020943346 521169603 /nfs/dbraw/zinc/16/96/03/521169603.db2.gz DLAKTWUIKMJERB-UHFFFAOYSA-N 0 0 444.535 5.395 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(C)(C)C)cc1 ZINC000022647617 521178425 /nfs/dbraw/zinc/17/84/25/521178425.db2.gz CHVQVIDCGJJKKA-SFHVURJKSA-N 0 0 427.589 5.293 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 ZINC000012700507 521182545 /nfs/dbraw/zinc/18/25/45/521182545.db2.gz KMHBWTNNXNCMQG-UHFFFAOYSA-N 0 0 430.508 5.764 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc1 ZINC000012796704 521183184 /nfs/dbraw/zinc/18/31/84/521183184.db2.gz DYCCAAFJGZOAMW-GOSISDBHSA-N 0 0 434.492 5.131 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000012883109 521183928 /nfs/dbraw/zinc/18/39/28/521183928.db2.gz XDYGOHFVKHNOQV-HNNXBMFYSA-N 0 0 434.517 5.563 50 0 IKAARN CCC[C@H](Sc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)C(=O)OCC ZINC000035848058 521195682 /nfs/dbraw/zinc/19/56/82/521195682.db2.gz WASYVXYEGRZCRU-IBGZPJMESA-N 0 0 429.973 5.335 50 0 IKAARN CCC[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1)C(=O)OCC ZINC000035848185 521197465 /nfs/dbraw/zinc/19/74/65/521197465.db2.gz PGKKGHNFUAPLNR-IBGZPJMESA-N 0 0 429.973 5.720 50 0 IKAARN CCC[C@H](Sc1nnc(-c2cc(OC)cc(OC)c2)n1C1CCCCC1)C(=O)OCC ZINC000035847549 521197477 /nfs/dbraw/zinc/19/74/77/521197477.db2.gz AUPPZSQOLFXHQI-FQEVSTJZSA-N 0 0 447.601 5.291 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4cc(C)cc(C)c4)ccc3[nH]2)cc1 ZINC000033264752 521203607 /nfs/dbraw/zinc/20/36/07/521203607.db2.gz WYQMEOYXQPAJIN-UHFFFAOYSA-N 0 0 440.547 5.566 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@H](C)c2ccccc2)c1 ZINC000035945282 521206673 /nfs/dbraw/zinc/20/66/73/521206673.db2.gz KDCTZZFERAVQDJ-LJQANCHMSA-N 0 0 447.554 5.644 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3CC)cc2)cc1 ZINC000021664274 521210203 /nfs/dbraw/zinc/21/02/03/521210203.db2.gz MNTAYBIMIULOON-UHFFFAOYSA-N 0 0 449.576 5.041 50 0 IKAARN CCOC(=O)[C@H](C)Sc1nnc(C2CCCCC2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035847436 521219307 /nfs/dbraw/zinc/21/93/07/521219307.db2.gz GQRKKDCGZNOSNF-LBPRGKRZSA-N 0 0 428.385 5.666 50 0 IKAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000041091594 521225011 /nfs/dbraw/zinc/22/50/11/521225011.db2.gz SZJLTERUVIGMMG-UHFFFAOYSA-N 0 0 441.940 5.384 50 0 IKAARN CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 ZINC000001067405 521225529 /nfs/dbraw/zinc/22/55/29/521225529.db2.gz BAAIGMWAXBPGQI-UHFFFAOYSA-N 0 0 427.298 5.212 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000016176381 521229407 /nfs/dbraw/zinc/22/94/07/521229407.db2.gz WRQKWKBQJBCBLA-OAQYLSRUSA-N 0 0 432.495 5.276 50 0 IKAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SCC)nn32)cc1 ZINC000017307555 521236178 /nfs/dbraw/zinc/23/61/78/521236178.db2.gz VHCCYOOHPXRUDI-OAQYLSRUSA-N 0 0 449.580 5.025 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)COc2ccccc2)cc1 ZINC000021715838 521247726 /nfs/dbraw/zinc/24/77/26/521247726.db2.gz GWVGJWSPADWGHC-HHHXNRCGSA-N 0 0 426.516 5.120 50 0 IKAARN CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195737 521247891 /nfs/dbraw/zinc/24/78/91/521247891.db2.gz UJYHWDBTVWNJPQ-SQHAQQRYSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)cc1 ZINC000012027294 521248418 /nfs/dbraw/zinc/24/84/18/521248418.db2.gz OQTCOERKVXUIOI-XMMPIXPASA-N 0 0 430.577 5.226 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000035818739 521250250 /nfs/dbraw/zinc/25/02/50/521250250.db2.gz IASZSGYSNGVXDL-OAQYLSRUSA-N 0 0 430.335 5.831 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021889105 521250463 /nfs/dbraw/zinc/25/04/63/521250463.db2.gz MYMJFSVOKPHLGL-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021889145 521251201 /nfs/dbraw/zinc/25/12/01/521251201.db2.gz YIWDXYXLORUIPZ-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447028 521254972 /nfs/dbraw/zinc/25/49/72/521254972.db2.gz XMOALVBFZYUAEM-DQEYMECFSA-N 0 0 432.004 5.233 50 0 IKAARN CCOc1ccc([C@H](C)NC(=O)c2cccnc2SCC(F)(F)F)cc1OCC ZINC000036758946 521256395 /nfs/dbraw/zinc/25/63/95/521256395.db2.gz PTLVOQKPJDXCLT-ZDUSSCGKSA-N 0 0 428.476 5.024 50 0 IKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(CC(c2ccccc2)c2ccccc2)CO1 ZINC000020610372 521260014 /nfs/dbraw/zinc/26/00/14/521260014.db2.gz ZGUNPJBMRHXNJA-UHFFFAOYSA-N 0 0 439.555 6.120 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1Cl)CO3 ZINC000020610173 521260199 /nfs/dbraw/zinc/26/01/99/521260199.db2.gz LHTIEJMZUMFSKB-UHFFFAOYSA-N 0 0 446.374 6.145 50 0 biogenic IKAARN CCOc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000020899475 521262533 /nfs/dbraw/zinc/26/25/33/521262533.db2.gz MUYNGFHFYNJBLD-NRFANRHFSA-N 0 0 448.950 5.791 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)cc3)c2)cc1 ZINC000035910894 521268503 /nfs/dbraw/zinc/26/85/03/521268503.db2.gz ISPZHALKMODZSC-MHZLTWQESA-N 0 0 444.600 6.369 50 0 IKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC ZINC000021157849 521269065 /nfs/dbraw/zinc/26/90/65/521269065.db2.gz UQDKUHSJWIRUJT-QGZVFWFLSA-N 0 0 427.953 6.340 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(C)c3)cc2)cc1 ZINC000035910329 521269500 /nfs/dbraw/zinc/26/95/00/521269500.db2.gz HMNDZUJVONCOQX-HHHXNRCGSA-N 0 0 444.600 6.369 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)c2)cc1 ZINC000035910154 521270083 /nfs/dbraw/zinc/27/00/83/521270083.db2.gz BISZCLKNOHRSPY-SANMLTNESA-N 0 0 448.563 6.199 50 0 IKAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)cc1 ZINC000012743313 521270722 /nfs/dbraw/zinc/27/07/22/521270722.db2.gz OFPISMYVLILJSJ-HSZRJFAPSA-N 0 0 444.579 5.411 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccccc2F)cc1 ZINC000035910103 521271161 /nfs/dbraw/zinc/27/11/61/521271161.db2.gz SCNIFWRYKVBGAJ-AREMUKBSSA-N 0 0 448.563 6.199 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccccc2F)cc1 ZINC000035910104 521271912 /nfs/dbraw/zinc/27/19/12/521271912.db2.gz SCNIFWRYKVBGAJ-SANMLTNESA-N 0 0 448.563 6.199 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3)c2)cc1 ZINC000035910893 521272691 /nfs/dbraw/zinc/27/26/91/521272691.db2.gz ISPZHALKMODZSC-HHHXNRCGSA-N 0 0 444.600 6.369 50 0 IKAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012196531 521272628 /nfs/dbraw/zinc/27/26/28/521272628.db2.gz QNRORTJHDPKVDY-ZEQKJWHPSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012196519 521273570 /nfs/dbraw/zinc/27/35/70/521273570.db2.gz QNRORTJHDPKVDY-JYFHCDHNSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000021788428 521273972 /nfs/dbraw/zinc/27/39/72/521273972.db2.gz MQEBTYYIPRBLNF-OAQYLSRUSA-N 0 0 427.957 5.316 50 0 IKAARN CCCCc1ccc(N(C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1 ZINC000012636158 521274942 /nfs/dbraw/zinc/27/49/42/521274942.db2.gz LFDJLOSEVPDULY-UHFFFAOYSA-N 0 0 446.572 6.635 50 0 IKAARN CCCCc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000017969026 521275216 /nfs/dbraw/zinc/27/52/16/521275216.db2.gz IKYNQOFRCDPLBR-LGUFXXKBSA-N 0 0 440.543 6.068 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000022492693 521277161 /nfs/dbraw/zinc/27/71/61/521277161.db2.gz MYTWZFJRXYYREU-UHFFFAOYSA-N 0 0 432.543 5.480 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 ZINC000035398493 521277189 /nfs/dbraw/zinc/27/71/89/521277189.db2.gz WNPNCTFXHXOIHJ-UHFFFAOYSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 ZINC000022482985 521282387 /nfs/dbraw/zinc/28/23/87/521282387.db2.gz NARWGPJLQATHRL-OAQYLSRUSA-N 0 0 448.998 5.995 50 0 IKAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 ZINC000022482988 521284090 /nfs/dbraw/zinc/28/40/90/521284090.db2.gz NARWGPJLQATHRL-NRFANRHFSA-N 0 0 448.998 5.995 50 0 IKAARN CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c32)cc1 ZINC000035672102 521284564 /nfs/dbraw/zinc/28/45/64/521284564.db2.gz QAXSWOCFCUEXQH-UHFFFAOYSA-N 0 0 433.483 5.080 50 0 IKAARN CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)C)C3 ZINC000017085910 521295996 /nfs/dbraw/zinc/29/59/96/521295996.db2.gz JABBVOCCRBNMAF-MWTRTKDXSA-N 0 0 434.605 6.305 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3Cl)sc2c1 ZINC000021660969 521298510 /nfs/dbraw/zinc/29/85/10/521298510.db2.gz WHVUFNJTAFPGHK-HNNXBMFYSA-N 0 0 438.940 5.317 50 0 IKAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(OC)c(Cl)c4)CC3)sc2c1 ZINC000020383402 521299893 /nfs/dbraw/zinc/29/98/93/521299893.db2.gz SXXVRVGAXBQPBX-UHFFFAOYSA-N 0 0 445.972 5.212 50 0 IKAARN CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)nc2c1 ZINC000012484060 521307615 /nfs/dbraw/zinc/30/76/15/521307615.db2.gz SAEVUVYKTZRBIT-SECBINFHSA-N 0 0 444.771 6.041 50 0 IKAARN CCOc1ccc2[nH]c(S[C@@H](C(=O)Nc3ccccc3OCC)c3ccccc3)nc2c1 ZINC000012546549 521308532 /nfs/dbraw/zinc/30/85/32/521308532.db2.gz FEWHMLGCQGCHDC-HSZRJFAPSA-N 0 0 447.560 5.832 50 0 IKAARN CCOc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2c1 ZINC000012635021 521310552 /nfs/dbraw/zinc/31/05/52/521310552.db2.gz QOATVTHDSLYSPO-ZDUSSCGKSA-N 0 0 435.398 5.343 50 0 IKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000034795620 521324188 /nfs/dbraw/zinc/32/41/88/521324188.db2.gz HULNOVDKKMPRHA-UHFFFAOYSA-N 0 0 433.430 5.318 50 0 IKAARN CCCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034795860 521324715 /nfs/dbraw/zinc/32/47/15/521324715.db2.gz LRPBLHYVDNMZEQ-UHFFFAOYSA-N 0 0 429.486 6.598 50 0 IKAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccnc1SC ZINC000012676967 521331192 /nfs/dbraw/zinc/33/11/92/521331192.db2.gz GQTNNPGNKNLODC-UHFFFAOYSA-N 0 0 428.579 5.115 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000016192953 521365903 /nfs/dbraw/zinc/36/59/03/521365903.db2.gz WAAAETNXNVUEOZ-UGSOOPFHSA-N 0 0 433.415 6.481 50 0 IKAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000012884704 521369678 /nfs/dbraw/zinc/36/96/78/521369678.db2.gz WGMSAPHMAAAPQH-UHFFFAOYSA-N 0 0 426.516 5.581 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CN1CCC(C)CC1 ZINC000012112445 521371184 /nfs/dbraw/zinc/37/11/84/521371184.db2.gz CRLBABUFIPRPBL-UHFFFAOYSA-N 0 0 442.625 5.560 50 0 IKAARN CCC(C)(C)c1ccc(OCCCCNC(=O)[C@H]2C[C@H]2c2ccccc2)c(C(C)(C)CC)c1 ZINC000020562890 521371456 /nfs/dbraw/zinc/37/14/56/521371456.db2.gz DDYQKMQXNMCKSX-DQEYMECFSA-N 0 0 449.679 7.141 50 0 IKAARN CCCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000001320439 521388668 /nfs/dbraw/zinc/38/86/68/521388668.db2.gz KJJXZVHYDJVDIN-MUUNZHRXSA-N 0 0 427.544 5.263 50 0 IKAARN CCCCn1nc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cc1C ZINC000020616248 521396223 /nfs/dbraw/zinc/39/62/23/521396223.db2.gz GHWKHAOCLSAPBB-UHFFFAOYSA-N 0 0 447.486 5.663 50 0 IKAARN CCOC(=O)c1c(NC(=O)C[C@H](C)CC(C)(C)C)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000022675350 521408291 /nfs/dbraw/zinc/40/82/91/521408291.db2.gz VNRNJXCNDAVOER-PKOBYXMFSA-N 0 0 441.637 6.598 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1 ZINC000021356962 521411469 /nfs/dbraw/zinc/41/14/69/521411469.db2.gz FXSNQQIIYHUMNF-UHFFFAOYSA-N 0 0 433.577 5.112 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)N1C[C@@H](CC)Oc3ccc(Cl)cc31)CCCC2 ZINC000020489402 521416797 /nfs/dbraw/zinc/41/67/97/521416797.db2.gz KCDGYCWALCUSAR-CQSZACIVSA-N 0 0 448.972 5.667 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3o1)CCCCC2 ZINC000012139833 521416850 /nfs/dbraw/zinc/41/68/50/521416850.db2.gz DXHGGJPAZCXVDS-UHFFFAOYSA-N 0 0 430.551 5.066 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(SC(F)(F)F)cc1)CCCC2 ZINC000023304948 521418763 /nfs/dbraw/zinc/41/87/63/521418763.db2.gz UMOFNCKXMQRNQS-UHFFFAOYSA-N 0 0 429.485 5.668 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2ccc(OCC)cc2)c1C ZINC000020761183 521425393 /nfs/dbraw/zinc/42/53/93/521425393.db2.gz GWZQDPDNMNVLPH-UHFFFAOYSA-N 0 0 438.499 5.207 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2OC)c1 ZINC000021715736 521425935 /nfs/dbraw/zinc/42/59/35/521425935.db2.gz LFZWSNWFVSROMW-SANMLTNESA-N 0 0 426.516 5.363 50 0 IKAARN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000022651995 521429133 /nfs/dbraw/zinc/42/91/33/521429133.db2.gz ZLTDERYUSXHVKC-UHFFFAOYSA-N 0 0 439.600 5.132 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000012195713 521432372 /nfs/dbraw/zinc/43/23/72/521432372.db2.gz LLKDIIOWFJDXJK-JYFHCDHNSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000012195691 521432552 /nfs/dbraw/zinc/43/25/52/521432552.db2.gz WUCNIUYUQHBRSR-WIOPSUGQSA-N 0 0 436.458 5.614 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)COc1ccc(Cl)cc1 ZINC000023332959 521432485 /nfs/dbraw/zinc/43/24/85/521432485.db2.gz DYHARRBKHWKWCE-UHFFFAOYSA-N 0 0 429.925 5.187 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)COc2ccccc2)c1 ZINC000035927425 521432564 /nfs/dbraw/zinc/43/25/64/521432564.db2.gz VCXATTJCGPTWID-SANMLTNESA-N 0 0 446.572 5.435 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000035927454 521432892 /nfs/dbraw/zinc/43/28/92/521432892.db2.gz APURJAXOBGKEQA-RUZDIDTESA-N 0 0 434.536 5.809 50 0 IKAARN CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)NC(C(C)C)C(C)C)cc2)n1 ZINC000022649243 521432988 /nfs/dbraw/zinc/43/29/88/521432988.db2.gz KOAMGLRGCSIQAW-UHFFFAOYSA-N 0 0 427.589 5.048 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)COc2ccccc2)c1 ZINC000035927426 521433148 /nfs/dbraw/zinc/43/31/48/521433148.db2.gz VCXATTJCGPTWID-AREMUKBSSA-N 0 0 446.572 5.435 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000034796982 521433350 /nfs/dbraw/zinc/43/33/50/521433350.db2.gz UWZYKBFBQCBJHO-AREMUKBSSA-N 0 0 430.573 5.978 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000034796985 521433514 /nfs/dbraw/zinc/43/35/14/521433514.db2.gz KIWFFFVYOWBFOR-SANMLTNESA-N 0 0 436.621 6.327 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000020738421 521434072 /nfs/dbraw/zinc/43/40/72/521434072.db2.gz APSGEZZRVQENKU-RCZVLFRGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2sc(-n3nc(C)cc3NC(=O)c3ccc4ncsc4c3)nc21 ZINC000021686190 521436909 /nfs/dbraw/zinc/43/69/09/521436909.db2.gz BEPKUMACOONIIK-UHFFFAOYSA-N 0 0 435.534 5.051 50 0 IKAARN CCOc1ccccc1-c1nc(CN2CCC(Oc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000012092980 521438983 /nfs/dbraw/zinc/43/89/83/521438983.db2.gz DDBOYKOXGWMNOV-UHFFFAOYSA-N 0 0 426.944 5.746 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3ccc(C)s3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615095 521446314 /nfs/dbraw/zinc/44/63/14/521446314.db2.gz GKBSDOXTGBQPFH-UHFFFAOYSA-N 0 0 445.516 5.817 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)COCc1ccccc1 ZINC000022650118 521446991 /nfs/dbraw/zinc/44/69/91/521446991.db2.gz IPCIQKXWEVVGRA-SFHVURJKSA-N 0 0 429.582 5.930 50 0 IKAARN CCCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1cccc(Cl)c1 ZINC000020508811 521448453 /nfs/dbraw/zinc/44/84/53/521448453.db2.gz NEDAKTWFEVTXKN-UHFFFAOYSA-N 0 0 446.934 5.710 50 0 IKAARN CCOc1ccccc1/C=C/C(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 ZINC000012856950 521448892 /nfs/dbraw/zinc/44/88/92/521448892.db2.gz USJQQFCUMORJJG-RURFIKTLSA-N 0 0 442.559 5.847 50 0 IKAARN CCOC(=O)c1ccc(-c2ccc(-c3nc4cc(C(=O)OCC)ccc4n3CC)o2)cc1 ZINC000012546589 521460225 /nfs/dbraw/zinc/46/02/25/521460225.db2.gz UEBCFDZXCBUDJK-UHFFFAOYSA-N 0 0 432.476 5.337 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)CC(C)C ZINC000035944615 521483234 /nfs/dbraw/zinc/48/32/34/521483234.db2.gz SRMNPSDFLWAAAF-UHFFFAOYSA-N 0 0 441.591 5.565 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3C)C2=O)cc1 ZINC000012311969 521484848 /nfs/dbraw/zinc/48/48/48/521484848.db2.gz YSLGUYGGYDKIKD-KQWNVCNZSA-N 0 0 440.499 5.120 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(Cl)c3)C2=O)cc1 ZINC000012311975 521484929 /nfs/dbraw/zinc/48/49/29/521484929.db2.gz SMOQPJBRSYSMHX-JCMHNJIXSA-N 0 0 446.890 5.157 50 0 IKAARN CCOC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000001037248 521486785 /nfs/dbraw/zinc/48/67/85/521486785.db2.gz VHIIPSFKRDDWRL-UHFFFAOYSA-N 0 0 442.968 5.974 50 0 IKAARN CCC(CC)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022640508 521490710 /nfs/dbraw/zinc/49/07/10/521490710.db2.gz DTBXJAUBSZACAI-JOCHJYFZSA-N 0 0 429.402 5.119 50 0 IKAARN CCOc1ccccc1CNc1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc21 ZINC000035560919 521506954 /nfs/dbraw/zinc/50/69/54/521506954.db2.gz OFQSEWRTAYMOLY-UHFFFAOYSA-N 0 0 437.503 5.666 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)Cc2ccccc2)c1 ZINC000035924987 521513853 /nfs/dbraw/zinc/51/38/53/521513853.db2.gz HOZZYARCTRCLFH-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000035925053 521513937 /nfs/dbraw/zinc/51/39/37/521513937.db2.gz ZPXHMFLIMDBXPZ-OXVFXORMSA-N 0 0 444.556 5.516 50 0 IKAARN CCCN(C)c1cc(-c2ccccc2)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000036038690 521514051 /nfs/dbraw/zinc/51/40/51/521514051.db2.gz RQCZZABWDNLRRI-UHFFFAOYSA-N 0 0 448.636 5.668 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000035924959 521514237 /nfs/dbraw/zinc/51/42/37/521514237.db2.gz BAAATVWOWNOYAJ-AREMUKBSSA-N 0 0 446.572 5.679 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000035924996 521514333 /nfs/dbraw/zinc/51/43/33/521514333.db2.gz NSQSDBADBTYDCZ-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(CC)cc2)c1 ZINC000035925045 521514582 /nfs/dbraw/zinc/51/45/82/521514582.db2.gz UBSFQLAJZCPEAE-AREMUKBSSA-N 0 0 446.572 5.679 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1 ZINC000012274625 521514588 /nfs/dbraw/zinc/51/45/88/521514588.db2.gz NUPXOTNMYXTOES-JOCHJYFZSA-N 0 0 449.890 5.223 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000035924905 521514813 /nfs/dbraw/zinc/51/48/13/521514813.db2.gz IYYUGXLESXZSAK-VWLOTQADSA-N 0 0 438.593 5.773 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000035925054 521514867 /nfs/dbraw/zinc/51/48/67/521514867.db2.gz ZPXHMFLIMDBXPZ-ZSNJSTEGSA-N 0 0 444.556 5.516 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000035924997 521514931 /nfs/dbraw/zinc/51/49/31/521514931.db2.gz KXVGDMDOQIWPOB-VWLOTQADSA-N 0 0 438.593 5.773 50 0 IKAARN CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 ZINC000035463009 521529580 /nfs/dbraw/zinc/52/95/80/521529580.db2.gz ZCQRSVYUSUIRJY-UHFFFAOYSA-N 0 0 430.533 5.407 50 0 IKAARN CCOC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(C)c2)c1C ZINC000020665109 521535748 /nfs/dbraw/zinc/53/57/48/521535748.db2.gz QMJQOSBQRWBNAG-UHFFFAOYSA-N 0 0 441.524 5.015 50 0 IKAARN CCCc1nc2c(Br)cc(Br)cn2c1Nc1c(C)cccc1C ZINC000035702014 521540270 /nfs/dbraw/zinc/54/02/70/521540270.db2.gz KCAWZEKLPJIDPY-UHFFFAOYSA-N 0 0 437.179 6.172 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891296 521540480 /nfs/dbraw/zinc/54/04/80/521540480.db2.gz PBBDEIHGNGINEB-XMMPIXPASA-N 0 0 429.545 6.075 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022638211 521540628 /nfs/dbraw/zinc/54/06/28/521540628.db2.gz SJRRDOXETPFEGZ-UHFFFAOYSA-N 0 0 448.485 5.759 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000021893317 521540696 /nfs/dbraw/zinc/54/06/96/521540696.db2.gz DKMKZQJJRLSWCH-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000033129540 521542963 /nfs/dbraw/zinc/54/29/63/521542963.db2.gz SYAWVQITQFEROC-UHFFFAOYSA-N 0 0 438.553 5.858 50 0 IKAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(C)cc4)CC2)n1)CCCCC3 ZINC000035892532 521544053 /nfs/dbraw/zinc/54/40/53/521544053.db2.gz TWKSHKOCCMENON-UHFFFAOYSA-N 0 0 448.636 5.184 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000015275835 521548398 /nfs/dbraw/zinc/54/83/98/521548398.db2.gz UWVNFTWBEUTCTM-XMMPIXPASA-N 0 0 426.472 5.170 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3C)C2=O)cc1 ZINC000035477286 521549359 /nfs/dbraw/zinc/54/93/59/521549359.db2.gz CGAYCZYDCSKEOQ-UHFFFAOYSA-N 0 0 443.547 5.478 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023318989 521553989 /nfs/dbraw/zinc/55/39/89/521553989.db2.gz NHVIPBMTJXJZMQ-UHFFFAOYSA-N 0 0 442.559 6.017 50 0 IKAARN CCCc1nn(-c2ccc(Cl)c(Cl)c2)c(CC)c1C(=O)N(C)Cc1ccccc1 ZINC000035961433 521557575 /nfs/dbraw/zinc/55/75/75/521557575.db2.gz MFPOSTRXJWUFNS-UHFFFAOYSA-N 0 0 430.379 5.966 50 0 IKAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000012412446 521581283 /nfs/dbraw/zinc/58/12/83/521581283.db2.gz NWNQOAZCDWMOGB-BPUDUMNDSA-N 0 0 435.564 5.002 50 0 biogenic,in-vitro IKAARN CCOc1ccccc1[C@@H]1SCCNc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000020442973 521581292 /nfs/dbraw/zinc/58/12/92/521581292.db2.gz WXWNWARECHONPP-VWLOTQADSA-N 0 0 427.573 6.186 50 0 IKAARN CCOC(=O)c1csc(CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)n1 ZINC000035847467 521591018 /nfs/dbraw/zinc/59/10/18/521591018.db2.gz SLULREDWZJLDKS-UHFFFAOYSA-N 0 0 436.562 5.168 50 0 IKAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000012412448 521592307 /nfs/dbraw/zinc/59/23/07/521592307.db2.gz NWNQOAZCDWMOGB-AGKNDLPVSA-N 0 0 435.564 5.002 50 0 biogenic,in-vitro IKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)n1 ZINC000012522984 521592767 /nfs/dbraw/zinc/59/27/67/521592767.db2.gz UFLACYYFTSAXSK-AWEZNQCLSA-N 0 0 440.960 5.480 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 ZINC000012528065 521592793 /nfs/dbraw/zinc/59/27/93/521592793.db2.gz FKUFYGKZRZDOMR-JKSUJKDBSA-N 0 0 444.580 5.142 50 0 IKAARN CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 ZINC000012895474 521592979 /nfs/dbraw/zinc/59/29/79/521592979.db2.gz MRQCVINXVFRPQE-ZDUSSCGKSA-N 0 0 426.929 5.228 50 0 IKAARN CCCN(CC1CC1)C(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1 ZINC000024464825 521619391 /nfs/dbraw/zinc/61/93/91/521619391.db2.gz DQLKSHHARMVXKB-UHFFFAOYSA-N 0 0 442.629 5.200 50 0 IKAARN CCOC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1-n1cccc1 ZINC000002150267 521620137 /nfs/dbraw/zinc/62/01/37/521620137.db2.gz OSGOXTRFUVOGML-UHFFFAOYSA-N 0 0 425.513 5.993 50 0 IKAARN CCCN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008142 521629143 /nfs/dbraw/zinc/62/91/43/521629143.db2.gz GNLDTCUTGKCNJH-UHFFFAOYSA-N 0 0 448.954 5.466 50 0 IKAARN CCCn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015870727 521639659 /nfs/dbraw/zinc/63/96/59/521639659.db2.gz NZIKEVYUXYRRHG-UHFFFAOYSA-N 0 0 437.540 5.171 50 0 IKAARN CCCN(CCC)c1nc(-c2cccs2)nc2c1sc(=S)n2Cc1ccccc1 ZINC000012411049 521650938 /nfs/dbraw/zinc/65/09/38/521650938.db2.gz GQSFJHXVMZCNBE-UHFFFAOYSA-N 0 0 440.663 6.625 50 0 IKAARN CCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000034902652 521664504 /nfs/dbraw/zinc/66/45/04/521664504.db2.gz OFVADXOTZDAOPV-UHFFFAOYSA-N 0 0 434.323 5.536 50 0 IKAARN CCN1CCN(C(=O)c2c(C(C)C)nn(-c3ccc(Cl)c(Cl)c3)c2C(C)C)CC1 ZINC000035981241 521668686 /nfs/dbraw/zinc/66/86/86/521668686.db2.gz OHKFVCRZQRRGIS-UHFFFAOYSA-N 0 0 437.415 5.204 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)NC(C)C ZINC000035980819 521678154 /nfs/dbraw/zinc/67/81/54/521678154.db2.gz VAGCLZWJWNNZSL-UHFFFAOYSA-N 0 0 440.975 5.863 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)NCC ZINC000035980818 521678518 /nfs/dbraw/zinc/67/85/18/521678518.db2.gz PKVLHSOWDPRMAE-UHFFFAOYSA-N 0 0 426.948 5.474 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)C1CCC1 ZINC000035980527 521678775 /nfs/dbraw/zinc/67/87/75/521678775.db2.gz FKSHIQAZIMSSBL-UHFFFAOYSA-N 0 0 433.552 5.427 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)NC(C)C ZINC000035980322 521679119 /nfs/dbraw/zinc/67/91/19/521679119.db2.gz IYECLRMAGIFVLD-UHFFFAOYSA-N 0 0 440.975 5.956 50 0 IKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)C(C)C ZINC000035977689 521679140 /nfs/dbraw/zinc/67/91/40/521679140.db2.gz DRXBQMBEXKHOGB-UHFFFAOYSA-N 0 0 437.559 6.322 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)c1ccccc1 ZINC000035977042 521679378 /nfs/dbraw/zinc/67/93/78/521679378.db2.gz XXYPLJIOVOCYEB-UHFFFAOYSA-N 0 0 439.559 6.334 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)C(C)C ZINC000035976288 521679605 /nfs/dbraw/zinc/67/96/05/521679605.db2.gz AESOFCOATCXLCP-UHFFFAOYSA-N 0 0 427.495 5.646 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000035944358 521681843 /nfs/dbraw/zinc/68/18/43/521681843.db2.gz WQYGQJRMCFRQHS-UHFFFAOYSA-N 0 0 441.622 5.109 50 0 IKAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2cccc3ccccc32)cc1 ZINC000035769892 521686800 /nfs/dbraw/zinc/68/68/00/521686800.db2.gz OZXRKQFNJVAZNM-UHFFFAOYSA-N 0 0 449.528 5.004 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)N=C1c1ccccc1 ZINC000020578158 521695132 /nfs/dbraw/zinc/69/51/32/521695132.db2.gz JRGFVOAOGWHTJA-UHFFFAOYSA-N 0 0 426.973 5.319 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Br)c1 ZINC000018832837 521695176 /nfs/dbraw/zinc/69/51/76/521695176.db2.gz HWUNKEHEBLKUIJ-UHFFFAOYSA-N 0 0 434.721 5.205 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCCc1nc2ccccc2s1 ZINC000012675575 521695686 /nfs/dbraw/zinc/69/56/86/521695686.db2.gz KEHHQEWZDRBDHH-UHFFFAOYSA-N 0 0 426.567 5.169 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000020578141 521695763 /nfs/dbraw/zinc/69/57/63/521695763.db2.gz KGMCNCNYHDGILS-UHFFFAOYSA-N 0 0 426.973 5.319 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccccc1COc1ccccc1 ZINC000012675567 521696164 /nfs/dbraw/zinc/69/61/64/521696164.db2.gz YMPOOFBIZNHYMC-UHFFFAOYSA-N 0 0 433.533 5.430 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1c2ccccc2oc1C(=O)OCC ZINC000021472652 521696182 /nfs/dbraw/zinc/69/61/82/521696182.db2.gz NLTQFDZYJBFOPA-UHFFFAOYSA-N 0 0 425.510 5.133 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000016751101 521703289 /nfs/dbraw/zinc/70/32/89/521703289.db2.gz JTTDVALEICNNSF-HSZRJFAPSA-N 0 0 435.520 5.182 50 0 IKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000021889585 521711755 /nfs/dbraw/zinc/71/17/55/521711755.db2.gz RTRITFUBDGXMET-SANMLTNESA-N 0 0 431.580 5.642 50 0 IKAARN CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000021917929 521711961 /nfs/dbraw/zinc/71/19/61/521711961.db2.gz UQPNGQQHGSVVRB-XMMPIXPASA-N 0 0 449.620 5.459 50 0 IKAARN CCN1c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2Sc2ccccc2C1=O ZINC000015826136 521730486 /nfs/dbraw/zinc/73/04/86/521730486.db2.gz KJOXRRFGXYSTBQ-UHFFFAOYSA-N 0 0 433.920 6.188 50 0 IKAARN CCN1c2cc(NC(=O)Nc3ccc(NC(C)=O)cc3)ccc2Sc2ccccc2C1=O ZINC000015671921 521730541 /nfs/dbraw/zinc/73/05/41/521730541.db2.gz SZDLFNXFNCIWBE-UHFFFAOYSA-N 0 0 446.532 5.420 50 0 IKAARN CCN1c2cc(NC(=O)NCc3ccc(OC)cc3)ccc2Sc2ccccc2C1=O ZINC000015671883 521730550 /nfs/dbraw/zinc/73/05/50/521730550.db2.gz ASLIWSXKZDBAID-UHFFFAOYSA-N 0 0 433.533 5.148 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000035970986 521739466 /nfs/dbraw/zinc/73/94/66/521739466.db2.gz REXORZONGDUHHE-UHFFFAOYSA-N 0 0 440.975 5.814 50 0 IKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000035980862 521739492 /nfs/dbraw/zinc/73/94/92/521739492.db2.gz WTACUENFANSXLC-GOSISDBHSA-N 0 0 436.556 5.218 50 0 IKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1cccc(C)c1)C1CC1 ZINC000035973017 521739540 /nfs/dbraw/zinc/73/95/40/521739540.db2.gz WWGRZZCARUCOQT-UHFFFAOYSA-N 0 0 436.531 5.368 50 0 IKAARN CCc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)c1 ZINC000021352328 521749184 /nfs/dbraw/zinc/74/91/84/521749184.db2.gz BFPBWQPLRBJJLW-INIZCTEOSA-N 0 0 437.609 5.269 50 0 IKAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2oc3c(ccc4ccccc34)c2C)c1C ZINC000012857781 521751510 /nfs/dbraw/zinc/75/15/10/521751510.db2.gz QPAUSMYITOBCBN-HNNXBMFYSA-N 0 0 433.460 5.054 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2cccnc2)nc2c(C)cccc12 ZINC000017097519 521752593 /nfs/dbraw/zinc/75/25/93/521752593.db2.gz LNAJVNGHSJFGLX-UHFFFAOYSA-N 0 0 431.517 5.322 50 0 IKAARN CCc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c1 ZINC000021042954 521753893 /nfs/dbraw/zinc/75/38/93/521753893.db2.gz AYACAJSTNZCFPV-UHFFFAOYSA-N 0 0 435.886 5.057 50 0 IKAARN COC(=O)c1c(C)n(C2CC2)c(C)c1-c1csc(-c2cccc(NC(=O)C3CC3)c2)n1 ZINC000012787597 521755849 /nfs/dbraw/zinc/75/58/49/521755849.db2.gz DDIACVRZEVHRRG-UHFFFAOYSA-N 0 0 435.549 5.365 50 0 IKAARN COC(=O)c1c(COC(=O)c2cccnc2Cl)nc2ccccc2c1-c1ccccc1 ZINC000017526958 521759404 /nfs/dbraw/zinc/75/94/04/521759404.db2.gz KNNAEMUETCSHLD-UHFFFAOYSA-N 0 0 432.863 5.094 50 0 IKAARN COC(=O)c1c(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)sc2c1CCCC2 ZINC000033123828 521765558 /nfs/dbraw/zinc/76/55/58/521765558.db2.gz CHOGVUMBBQRADC-UHFFFAOYSA-N 0 0 445.544 6.206 50 0 IKAARN CCc1cccc(NC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)c1 ZINC000033037474 521769839 /nfs/dbraw/zinc/76/98/39/521769839.db2.gz PZFKWWSANJSEGC-UHFFFAOYSA-N 0 0 426.520 5.121 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)N1CCCCC[C@H]1c1ccc(C)s1)CCCC2 ZINC000035561871 521783317 /nfs/dbraw/zinc/78/33/17/521783317.db2.gz HEDNIWPNJHTGAP-INIZCTEOSA-N 0 0 432.611 5.933 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NC3CCCCC3)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908371 521793068 /nfs/dbraw/zinc/79/30/68/521793068.db2.gz AXIAFKGDJJWFIE-NRFANRHFSA-N 0 0 442.525 6.720 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NC3CCCCC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035908230 521794719 /nfs/dbraw/zinc/79/47/19/521794719.db2.gz YNOSICHFYBNIKP-HXUWFJFHSA-N 0 0 443.418 7.008 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)c3ccccc3)c3ccccc3OC)c[nH]c21 ZINC000035908353 521794834 /nfs/dbraw/zinc/79/48/34/521794834.db2.gz MLJSPQRROVMACV-DVECYGJZSA-N 0 0 426.560 6.138 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCC(C)C)c3cccc(Oc4ccccc4)c3)c[nH]c21 ZINC000035768651 521795068 /nfs/dbraw/zinc/79/50/68/521795068.db2.gz NQKWREAMRDELKL-AREMUKBSSA-N 0 0 440.587 6.817 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N3CCC(C)CC3)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889069 521795175 /nfs/dbraw/zinc/79/51/75/521795175.db2.gz BTRHCFPQODCJFU-JOCHJYFZSA-N 0 0 442.525 6.530 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)CCc3ccccc3)c3ccc(F)cc3)c[nH]c21 ZINC000035776242 521795367 /nfs/dbraw/zinc/79/53/67/521795367.db2.gz YQFNEHWWLUQTDL-FQRUVTKNSA-N 0 0 442.578 6.529 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888890 521795531 /nfs/dbraw/zinc/79/55/31/521795531.db2.gz YHRRLAFQVCAJSA-FDDCHVKYSA-N 0 0 440.543 5.858 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000016362368 521805706 /nfs/dbraw/zinc/80/57/06/521805706.db2.gz RZTKRVCSVSCGND-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN CC[C@@H](C(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1)c1ccccc1 ZINC000035866652 521820448 /nfs/dbraw/zinc/82/04/48/521820448.db2.gz XLVJVZGJQXQKLI-HXUWFJFHSA-N 0 0 434.609 5.028 50 0 IKAARN CCc1ccccc1N(C)C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915195 521847378 /nfs/dbraw/zinc/84/73/78/521847378.db2.gz KWMVFWRSMZDAGF-UHFFFAOYSA-N 0 0 427.548 5.362 50 0 IKAARN CCc1ccccc1N(CC)C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508938 521850701 /nfs/dbraw/zinc/85/07/01/521850701.db2.gz XXCOYDBAEDBHDF-UHFFFAOYSA-N 0 0 426.516 5.228 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000035925084 521852005 /nfs/dbraw/zinc/85/20/05/521852005.db2.gz QGDUVMPORAVERE-AREMUKBSSA-N 0 0 430.573 5.599 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000035925083 521852547 /nfs/dbraw/zinc/85/25/47/521852547.db2.gz QGDUVMPORAVERE-SANMLTNESA-N 0 0 430.573 5.599 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000035925081 521853058 /nfs/dbraw/zinc/85/30/58/521853058.db2.gz ZAZRJAVDDJIUGM-BVZFJXPGSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000035925079 521853268 /nfs/dbraw/zinc/85/32/68/521853268.db2.gz ZAZRJAVDDJIUGM-CJAUYULYSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 ZINC000035925085 521853310 /nfs/dbraw/zinc/85/33/10/521853310.db2.gz VOLBCAYRCYCKIH-HOFKKMOUSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000035925109 521853576 /nfs/dbraw/zinc/85/35/76/521853576.db2.gz IQHGJGGYSRGVQV-SANMLTNESA-N 0 0 430.573 5.599 50 0 IKAARN CCc1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C)cc3)N2C1=O ZINC000012864919 521853663 /nfs/dbraw/zinc/85/36/63/521853663.db2.gz JMDDYQZNOQMINW-AZGAKELHSA-N 0 0 435.527 5.522 50 0 biogenic IKAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532405 521868176 /nfs/dbraw/zinc/86/81/76/521868176.db2.gz VUWCBXXFUXISFK-FQEVSTJZSA-N 0 0 438.503 5.592 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cc(C)ccc2F)cc1)c1ccccc1 ZINC000035928009 521871264 /nfs/dbraw/zinc/87/12/64/521871264.db2.gz QVAMYIPNYOYNHO-QFQXNSOFSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C(=O)[C@H](C)O2)c1ccccc1 ZINC000035883552 521871299 /nfs/dbraw/zinc/87/12/99/521871299.db2.gz ILEZDFDPBYSRRA-NBGIEHNGSA-N 0 0 442.559 5.171 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1C)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532403 521872910 /nfs/dbraw/zinc/87/29/10/521872910.db2.gz HWZYAADWOKPEOL-NRFANRHFSA-N 0 0 434.540 5.761 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(OC)c2)c1)c1ccccc1 ZINC000035927232 521873162 /nfs/dbraw/zinc/87/31/62/521873162.db2.gz DNTFTCUKDWCXAB-ZEQKJWHPSA-N 0 0 446.572 5.606 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1)c1ccccc1 ZINC000035910348 521873981 /nfs/dbraw/zinc/87/39/81/521873981.db2.gz CKBODVNLFRWDGE-BVAGGSTKSA-N 0 0 430.573 5.906 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1 ZINC000033068819 521876382 /nfs/dbraw/zinc/87/63/82/521876382.db2.gz PRNXQUZNEQFQAA-UHFFFAOYSA-N 0 0 431.536 5.653 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1N1CCCN([C@@H](C)c2ccccc2)C1=O)c1ccccc1 ZINC000034735132 521876705 /nfs/dbraw/zinc/87/67/05/521876705.db2.gz DPPUCHRMZKSSST-XUZZJYLKSA-N 0 0 441.575 6.212 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC2(CC1)c1cccn1-c1ccc(C)cc1N2CC ZINC000021101086 521887902 /nfs/dbraw/zinc/88/79/02/521887902.db2.gz QTFDHBJDGHCCRF-UHFFFAOYSA-N 0 0 428.580 5.711 50 0 biogenic IKAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908762 521890019 /nfs/dbraw/zinc/89/00/19/521890019.db2.gz WCLSIAGPJYYXKO-HSZRJFAPSA-N 0 0 447.485 6.704 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000015732156 521892296 /nfs/dbraw/zinc/89/22/96/521892296.db2.gz ZNXKGJHSRXWXJI-LJAQVGFWSA-N 0 0 449.598 7.300 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021536753 521892806 /nfs/dbraw/zinc/89/28/06/521892806.db2.gz OLUKELKSXMQORC-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc21 ZINC000033278654 521897868 /nfs/dbraw/zinc/89/78/68/521897868.db2.gz BCVPKMLYKMTGCU-UHFFFAOYSA-N 0 0 438.314 6.861 50 0 IKAARN CCc1ccccc1NC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)cc(OC)c2c1 ZINC000033129256 521898388 /nfs/dbraw/zinc/89/83/88/521898388.db2.gz VXHRAGFWGSBJPV-UHFFFAOYSA-N 0 0 431.923 6.770 50 0 IKAARN COc1cc(-c2nc(C(=O)N(C)C(C)C)cs2)ccc1OCc1ccc(F)cc1F ZINC000034717321 521900335 /nfs/dbraw/zinc/90/03/35/521900335.db2.gz MRMYSPIVZHMWAW-UHFFFAOYSA-N 0 0 432.492 5.156 50 0 IKAARN COC(=O)c1cc2nc(Cc3ccccc3)oc2c(NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000012417764 521923631 /nfs/dbraw/zinc/92/36/31/521923631.db2.gz LVMHSBGMGWVISV-LJQANCHMSA-N 0 0 440.499 5.264 50 0 IKAARN COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(Cl)c1OC ZINC000012774416 521925444 /nfs/dbraw/zinc/92/54/44/521925444.db2.gz YLRNMYCGSVPAJG-OAGJVSPASA-N 0 0 428.941 5.344 50 0 IKAARN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(Cl)c1OC ZINC000012774421 521929973 /nfs/dbraw/zinc/92/99/73/521929973.db2.gz YLRNMYCGSVPAJG-FVNWOWOISA-N 0 0 428.941 5.344 50 0 IKAARN COc1cc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)ccc1OC(C)=O ZINC000012380026 521943879 /nfs/dbraw/zinc/94/38/79/521943879.db2.gz MNBXCJIIYKBQQK-SDNWHVSQSA-N 0 0 425.484 5.918 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc(Cl)c1OC ZINC000012344323 521955239 /nfs/dbraw/zinc/95/52/39/521955239.db2.gz QFUWKODHJSKEHA-UDWIEESQSA-N 0 0 439.920 5.747 50 0 IKAARN CC[C@@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000034859200 521975640 /nfs/dbraw/zinc/97/56/40/521975640.db2.gz UJVHHBDXWUWRRB-GOSISDBHSA-N 0 0 444.616 5.399 50 0 IKAARN COc1cc(/C=C\C(=O)Oc2ccccc2-c2nc3ccccc3s2)ccc1OC(C)C ZINC000033481156 521981772 /nfs/dbraw/zinc/98/17/72/521981772.db2.gz OMKFDRMSWSPBHV-SQFISAMPSA-N 0 0 445.540 6.378 50 0 IKAARN COc1cc(Br)c(CC(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000012766647 522020775 /nfs/dbraw/zinc/02/07/75/522020775.db2.gz DSNRESIAFGGMRV-UHFFFAOYSA-N 0 0 442.309 5.440 50 0 IKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1 ZINC000012900688 522037142 /nfs/dbraw/zinc/03/71/42/522037142.db2.gz HCDWSQOHBPBSML-INIZCTEOSA-N 0 0 437.565 5.408 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 ZINC000012676929 522038281 /nfs/dbraw/zinc/03/82/81/522038281.db2.gz KHGNTIAOPNOYDD-AWEZNQCLSA-N 0 0 431.945 5.546 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC000012622378 522053750 /nfs/dbraw/zinc/05/37/50/522053750.db2.gz JHAKASZZZWUBBH-UHFFFAOYSA-N 0 0 441.456 5.259 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CCCCC3 ZINC000035892358 522055413 /nfs/dbraw/zinc/05/54/13/522055413.db2.gz FWJKXZALNBHNLU-KRWDZBQOSA-N 0 0 442.673 5.559 50 0 IKAARN COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(Cl)c1OC(C)C ZINC000012925536 522077774 /nfs/dbraw/zinc/07/77/74/522077774.db2.gz SDWVMGKOPSSNQK-LJQANCHMSA-N 0 0 445.943 5.274 50 0 IKAARN COc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc(OC)c1Br ZINC000024471930 522079862 /nfs/dbraw/zinc/07/98/62/522079862.db2.gz XLVBOXZOSJKGBO-UHFFFAOYSA-N 0 0 444.247 5.078 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000035945181 522097521 /nfs/dbraw/zinc/09/75/21/522097521.db2.gz JCPXOVCZSUYRRL-GOSISDBHSA-N 0 0 441.591 5.707 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000035945474 522098154 /nfs/dbraw/zinc/09/81/54/522098154.db2.gz JTPSYLTUFZORQK-NLFFAJNJSA-N 0 0 449.639 5.812 50 0 IKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(Cl)cc1OC ZINC000020212679 522102822 /nfs/dbraw/zinc/10/28/22/522102822.db2.gz WAFPMQZHKQUIGY-MRXNPFEDSA-N 0 0 430.017 6.321 50 0 IKAARN COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000033169360 522110972 /nfs/dbraw/zinc/11/09/72/522110972.db2.gz BGNDXCVHACOIFD-UHFFFAOYSA-N 0 0 441.487 6.056 50 0 IKAARN CN(C)c1ccc(-c2noc(CCN(C(=O)CCc3ccccc3)C3CCCCC3)n2)cc1 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522786325 /nfs/dbraw/zinc/78/63/25/522786325.db2.gz MZOLJYONMXGTDW-UHFFFAOYSA-N 0 0 440.981 6.416 50 0 IKAARN COc1cc(OC)c(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@@H](C)C4)cc1Cl ZINC000020557653 522799918 /nfs/dbraw/zinc/79/99/18/522799918.db2.gz UFJYBKJTAFYIRV-LLVKDONJSA-N 0 0 435.998 5.770 50 0 IKAARN COc1cc(OC)c(NC(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1Cl ZINC000020466981 522805040 /nfs/dbraw/zinc/80/50/40/522805040.db2.gz MRPNFKZIGOUYHY-UHFFFAOYSA-N 0 0 445.991 5.004 50 0 IKAARN COc1cc(OC)c(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1Cl ZINC000012772509 522811135 /nfs/dbraw/zinc/81/11/35/522811135.db2.gz WXJWZNYAOUJTDS-UHFFFAOYSA-N 0 0 425.243 5.365 50 0 IKAARN COc1cc(OC)c(NC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)cc1Cl ZINC000032952863 522811454 /nfs/dbraw/zinc/81/14/54/522811454.db2.gz KNHPCFLZGMYQCF-UHFFFAOYSA-N 0 0 433.895 5.528 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1Cl ZINC000015785071 522812552 /nfs/dbraw/zinc/81/25/52/522812552.db2.gz UIESKEHUAKHGTO-UHFFFAOYSA-N 0 0 426.831 5.557 50 0 IKAARN COc1cc(OC)c(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1Cl ZINC000020852875 522814351 /nfs/dbraw/zinc/81/43/51/522814351.db2.gz KHIBZWQBMWUCOZ-NRFANRHFSA-N 0 0 439.874 5.748 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cc(C)ccc3C)n2-c2ccccc2C)c1 ZINC000035847698 522838730 /nfs/dbraw/zinc/83/87/30/522838730.db2.gz HCIMDOVKWKSVRJ-UHFFFAOYSA-N 0 0 445.588 6.169 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3F)n2C2CCCCC2)c1 ZINC000035847527 522838989 /nfs/dbraw/zinc/83/89/89/522838989.db2.gz FUWXMEPJUNTYDO-UHFFFAOYSA-N 0 0 427.545 5.899 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C)c(C)c3)n2-c2ccc(C)cc2)c1 ZINC000035847771 522839125 /nfs/dbraw/zinc/83/91/25/522839125.db2.gz ZQIBKEXPZINDAU-UHFFFAOYSA-N 0 0 445.588 6.169 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(C)c3)c2)c1 ZINC000035910352 522857711 /nfs/dbraw/zinc/85/77/11/522857711.db2.gz ROBXDFUOMMMDRL-RUZDIDTESA-N 0 0 448.544 5.043 50 0 IKAARN COCc1c(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)sc2cccc(F)c21 ZINC000021601031 522898268 /nfs/dbraw/zinc/89/82/68/522898268.db2.gz GKOOKGQVAWLIHE-LJQANCHMSA-N 0 0 443.931 5.093 50 0 IKAARN CCc1noc(CSC2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)n1 ZINC000012731849 522899949 /nfs/dbraw/zinc/89/99/49/522899949.db2.gz CUSIYFKXPDBUMA-STZFKDTASA-N 0 0 446.576 5.741 50 0 IKAARN COCc1c(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)sc2cccc(F)c21 ZINC000012926452 522901612 /nfs/dbraw/zinc/90/16/12/522901612.db2.gz HFJFNTWSFTYYKE-HNNXBMFYSA-N 0 0 429.513 5.296 50 0 IKAARN COCc1cc(C)nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccc(OC)cc3)c21 ZINC000012445359 522919500 /nfs/dbraw/zinc/91/95/00/522919500.db2.gz MBRZQZFQJFNCMU-JOCHJYFZSA-N 0 0 448.544 5.094 50 0 IKAARN COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(Cl)c(Cl)c1)N2c1ccc(F)cc1 ZINC000012445430 522920657 /nfs/dbraw/zinc/92/06/57/522920657.db2.gz XCFPCVCHWFLMCW-HXUWFJFHSA-N 0 0 446.309 5.563 50 0 IKAARN COc1cc([C@@H]2CC(=O)Oc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1F ZINC000012419606 522926526 /nfs/dbraw/zinc/92/65/26/522926526.db2.gz GEZVUTFAACMJOP-IBGZPJMESA-N 0 0 444.462 5.244 50 0 IKAARN CC[C@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1cc(Cl)ccc1C ZINC000020510702 522927077 /nfs/dbraw/zinc/92/70/77/522927077.db2.gz FHZSCLKRGTXJRC-KRWDZBQOSA-N 0 0 430.986 5.724 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1ccc(Cl)cn1 ZINC000012630226 522927492 /nfs/dbraw/zinc/92/74/92/522927492.db2.gz GSWFEKKHUQWZMR-INIZCTEOSA-N 0 0 440.960 5.118 50 0 IKAARN COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O ZINC000252430745 522934218 /nfs/dbraw/zinc/93/42/18/522934218.db2.gz HORBLPIYENOYJM-ZPHJJVGBSA-N 0 0 449.591 5.432 50 0 IKAARN CC[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(F)cc3F)ccc2OCC1=O ZINC000035909654 522946709 /nfs/dbraw/zinc/94/67/09/522946709.db2.gz DLMVEESTETXFKP-JOCHJYFZSA-N 0 0 436.458 5.089 50 0 IKAARN COCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(C)c2C)o1 ZINC000012192885 522952402 /nfs/dbraw/zinc/95/24/02/522952402.db2.gz NKFSAXQOYFHMDL-SANMLTNESA-N 0 0 444.531 5.321 50 0 IKAARN COCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(OC)c2)s1 ZINC000012315276 522953366 /nfs/dbraw/zinc/95/33/66/522953366.db2.gz ZBZGESNGIYOKSN-XMMPIXPASA-N 0 0 432.545 5.172 50 0 IKAARN COCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)s1 ZINC000012315275 522954018 /nfs/dbraw/zinc/95/40/18/522954018.db2.gz ZBZGESNGIYOKSN-DEOSSOPVSA-N 0 0 432.545 5.172 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1cccc(C)c1 ZINC000020808050 522959406 /nfs/dbraw/zinc/95/94/06/522959406.db2.gz GGKUVYDFNLLVOW-OAQYLSRUSA-N 0 0 439.515 5.447 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1O ZINC000021728880 522959447 /nfs/dbraw/zinc/95/94/47/522959447.db2.gz UGMRJNLAAKFNKF-HXUWFJFHSA-N 0 0 425.488 5.036 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc(OC)c1OC ZINC000021157862 522959684 /nfs/dbraw/zinc/95/96/84/522959684.db2.gz ZNKCFDVTSFFBQZ-OAHLLOKOSA-N 0 0 429.925 5.568 50 0 IKAARN COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)cc2)ccc1F ZINC000020600141 522966926 /nfs/dbraw/zinc/96/69/26/522966926.db2.gz UDHNSFFOMMTFCY-MHZLTWQESA-N 0 0 443.522 5.422 50 0 IKAARN COc1cc2c(cc1NC(=O)C[C@H]1c3ccccc3C=CN1C(C)=O)oc1ccccc12 ZINC000015603215 523018152 /nfs/dbraw/zinc/01/81/52/523018152.db2.gz QNYXKYPWBSSHES-QFIPXVFZSA-N 0 0 426.472 5.497 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc3c(c1)OCO3)CC2 ZINC000022023284 523040661 /nfs/dbraw/zinc/04/06/61/523040661.db2.gz VULRBXURXOLGHN-RUZDIDTESA-N 0 0 437.923 5.234 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc3ncsc3c1)CC2 ZINC000012796068 523043744 /nfs/dbraw/zinc/04/37/44/523043744.db2.gz YBQXHQMVMLWDFN-QFIPXVFZSA-N 0 0 436.558 5.163 50 0 IKAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(C)=O)CC2)C(=O)Nc1ccc(F)cc1 ZINC000034708451 523044360 /nfs/dbraw/zinc/04/43/60/523044360.db2.gz NFUGKSYYCOZXKQ-FTJBHMTQSA-N 0 0 446.522 5.116 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccccc1F)CC2 ZINC000023440884 523044467 /nfs/dbraw/zinc/04/44/67/523044467.db2.gz PVPYNPJFNGQOIZ-HSZRJFAPSA-N 0 0 425.887 5.284 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cccc(Cl)c1)CC2 ZINC000013056063 523051659 /nfs/dbraw/zinc/05/16/59/523051659.db2.gz NFDVJCBHMBGZGQ-HSZRJFAPSA-N 0 0 442.968 5.005 50 0 IKAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000012554856 523072569 /nfs/dbraw/zinc/07/25/69/523072569.db2.gz NANBBTHFZWAUID-RUZDIDTESA-N 0 0 443.522 5.674 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21)C(=O)Nc1ccccc1C ZINC000021936857 523078387 /nfs/dbraw/zinc/07/83/87/523078387.db2.gz GQLFLONGRJIJES-NHCUHLMSSA-N 0 0 448.592 5.150 50 0 IKAARN CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c1=S ZINC000012805902 523081828 /nfs/dbraw/zinc/08/18/28/523081828.db2.gz QGGVUAZZKMAKAL-AWEZNQCLSA-N 0 0 444.029 6.015 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000015838200 523083699 /nfs/dbraw/zinc/08/36/99/523083699.db2.gz VTZVGQLLXGJGJE-UHFFFAOYSA-N 0 0 443.934 6.044 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CNc3ccccc3F)n2)cc1 ZINC000021659528 523084279 /nfs/dbraw/zinc/08/42/79/523084279.db2.gz WORKVNCOYLRRRR-UHFFFAOYSA-N 0 0 442.494 5.317 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000021525635 523084997 /nfs/dbraw/zinc/08/49/97/523084997.db2.gz NPRTUGCMXRQYMD-UHFFFAOYSA-N 0 0 433.870 5.864 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1ccc(Cl)cn1 ZINC000012630223 523088164 /nfs/dbraw/zinc/08/81/64/523088164.db2.gz GSWFEKKHUQWZMR-MRXNPFEDSA-N 0 0 440.960 5.118 50 0 IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3F)c2)cc1OC ZINC000020445538 523088577 /nfs/dbraw/zinc/08/85/77/523088577.db2.gz CCSAXOTVJOJSEF-UHFFFAOYSA-N 0 0 448.446 5.452 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(CCc3cccc(F)c3)CO2)cc1 ZINC000020610000 523089704 /nfs/dbraw/zinc/08/97/04/523089704.db2.gz MGWWDOAOZFURCF-UHFFFAOYSA-N 0 0 431.463 5.002 50 0 biogenic IKAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3n2)cc1 ZINC000001111829 523095618 /nfs/dbraw/zinc/09/56/18/523095618.db2.gz WBPVIFZFEPCRDG-UHFFFAOYSA-N 0 0 441.506 5.012 50 0 IKAARN CC[C@@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@H](CC)C1=O ZINC000035909549 523100853 /nfs/dbraw/zinc/10/08/53/523100853.db2.gz UWGFVAFRTBIDIJ-BJKOFHAPSA-N 0 0 446.522 5.729 50 0 IKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000020761498 523103293 /nfs/dbraw/zinc/10/32/93/523103293.db2.gz AHZSIKGHTFLZRP-UHFFFAOYSA-N 0 0 428.891 5.496 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)cc1 ZINC000020615452 523103913 /nfs/dbraw/zinc/10/39/13/523103913.db2.gz FHEVEOPFKPROJA-UHFFFAOYSA-N 0 0 439.437 6.001 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4cc(C)on4)sc3n2)cc1 ZINC000018195957 523104219 /nfs/dbraw/zinc/10/42/19/523104219.db2.gz FXAYSZLRVMWFJQ-UHFFFAOYSA-N 0 0 448.426 5.122 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)cc1 ZINC000036617260 523105908 /nfs/dbraw/zinc/10/59/08/523105908.db2.gz WMJZAQIXPYPBDH-UHFFFAOYSA-N 0 0 425.460 5.365 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)cc1 ZINC000020615554 523107198 /nfs/dbraw/zinc/10/71/98/523107198.db2.gz SJHQRRZSRXZWBX-UHFFFAOYSA-N 0 0 425.460 5.365 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)cc1OC ZINC000020603931 523107300 /nfs/dbraw/zinc/10/73/00/523107300.db2.gz KSDJREPIWPXNOF-UHFFFAOYSA-N 0 0 443.881 6.063 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)cc1OC ZINC000020615442 523107356 /nfs/dbraw/zinc/10/73/56/523107356.db2.gz ZSXKKOLPKFFZQW-UHFFFAOYSA-N 0 0 433.480 5.191 50 0 IKAARN COc1ccc(-c2cc(NC(=O)COc3ccccc3Cl)n(-c3ccccc3)n2)cc1 ZINC000021944912 523111877 /nfs/dbraw/zinc/11/18/77/523111877.db2.gz KXRAMWZQEUMALJ-UHFFFAOYSA-N 0 0 433.895 5.219 50 0 IKAARN COc1ccc(-c2cc(OC(=O)c3oc4cc(C)ccc4c3C)cc3sc(=O)oc32)cc1 ZINC000016749863 523113556 /nfs/dbraw/zinc/11/35/56/523113556.db2.gz IUOZIOJQMDYDMJ-UHFFFAOYSA-N 0 0 446.480 6.112 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)Nc4cccc(OC)c4)c3)ncn2)cc1 ZINC000035527268 523116192 /nfs/dbraw/zinc/11/61/92/523116192.db2.gz DMBKIBOUKNGSDN-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCn1c(C)c(C(C)=O)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1=S ZINC000020255559 523122224 /nfs/dbraw/zinc/12/22/24/523122224.db2.gz NOYMGARZIVMHHD-UHFFFAOYSA-N 0 0 446.620 5.055 50 0 IKAARN COc1ccc(-c2ccc(C(=O)NCCc3cccc(Cl)c3)s2)c(OC)c1OC ZINC000023336152 523131661 /nfs/dbraw/zinc/13/16/61/523131661.db2.gz XHMYRNAUHQGWQF-UHFFFAOYSA-N 0 0 431.941 5.067 50 0 biogenic IKAARN COc1ccc(-c2ccc(CNC(=O)Nc3ccc(SC)cc3)c3cnccc23)cc1C ZINC000035844648 523132329 /nfs/dbraw/zinc/13/23/29/523132329.db2.gz LMVZWFQDKSNIRE-UHFFFAOYSA-N 0 0 443.572 6.262 50 0 IKAARN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000012208081 523139314 /nfs/dbraw/zinc/13/93/14/523139314.db2.gz PPNDSXCLZLEOMC-IBGZPJMESA-N 0 0 436.502 5.491 50 0 IKAARN COc1ccc(-c2cn(C(=O)c3ccc(C(C)(C)C)cc3)nc2-c2ccc(OC)cc2)cc1 ZINC000012855963 523142890 /nfs/dbraw/zinc/14/28/90/523142890.db2.gz UYENCSLHXXLJNU-UHFFFAOYSA-N 0 0 440.543 6.220 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@H](C)[C@@H]5C)cc4sc3n2)cc1 ZINC000020490315 523145444 /nfs/dbraw/zinc/14/54/44/523145444.db2.gz KSRRJWHRXCLACZ-TWOQFEAHSA-N 0 0 433.577 5.779 50 0 IKAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020731286 523152515 /nfs/dbraw/zinc/15/25/15/523152515.db2.gz MARWXPPGIMYVHY-MRXNPFEDSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2coc3c(C)c(OCC(=O)Nc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000011865156 523156751 /nfs/dbraw/zinc/15/67/51/523156751.db2.gz AQTRWWMFRLMDBG-UHFFFAOYSA-N 0 0 429.472 5.103 50 0 IKAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccccc2Cl)cc1 ZINC000033269003 523157545 /nfs/dbraw/zinc/15/75/45/523157545.db2.gz VWYJNPZOURHNFN-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN COc1ccc(-c2csc(-c3cc(NC(=O)CC4CCCCC4)n(C)n3)n2)cc1OC ZINC000035683179 523159577 /nfs/dbraw/zinc/15/95/77/523159577.db2.gz HGAASCBQFVAGKG-UHFFFAOYSA-N 0 0 440.569 5.137 50 0 IKAARN COc1ccc(-c2csc(/C=C/c3ccc(OCCC(C)C)c(OC)c3)n2)cc1OC ZINC000015910403 523161813 /nfs/dbraw/zinc/16/18/13/523161813.db2.gz BESPFIMHLGWSFP-YRNVUSSQSA-N 0 0 439.577 6.431 50 0 IKAARN COc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)n2)cc1 ZINC000012895571 523166681 /nfs/dbraw/zinc/16/66/81/523166681.db2.gz QNCYYARRDTXDRS-UHFFFAOYSA-N 0 0 425.510 5.263 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cccnc3SCC(F)(F)F)n2)cc1 ZINC000022522942 523170636 /nfs/dbraw/zinc/17/06/36/523170636.db2.gz OPLPFMDZPVGTAT-UHFFFAOYSA-N 0 0 425.457 5.120 50 0 IKAARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCc4ccccc4F)cc2)CC(=O)O3)cc1 ZINC000012370979 523179454 /nfs/dbraw/zinc/17/94/54/523179454.db2.gz NIUNBFKQTHCVKG-NRFANRHFSA-N 0 0 444.462 5.244 50 0 IKAARN COc1ccc(-c2n[nH]c3ccc(Nc4nc(C(F)(F)F)nc5ccccc54)cc32)cc1 ZINC000041181218 523180543 /nfs/dbraw/zinc/18/05/43/523180543.db2.gz OJCPFCVCXDDCDS-UHFFFAOYSA-N 0 0 435.409 5.944 50 0 IKAARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000012302057 523184319 /nfs/dbraw/zinc/18/43/19/523184319.db2.gz KVVJPRZIXVCENX-UHFFFAOYSA-N 0 0 438.915 5.609 50 0 IKAARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000012595400 523186122 /nfs/dbraw/zinc/18/61/22/523186122.db2.gz ZVWONUKARDRXAU-UHFFFAOYSA-N 0 0 433.483 5.025 50 0 IKAARN COc1ccc(-c2nc(-c3cc4cc5c(cc4oc3=O)occ5C(C)(C)C)cs2)cc1 ZINC000020721421 523186224 /nfs/dbraw/zinc/18/62/24/523186224.db2.gz JDMXJTSWTVIEDP-UHFFFAOYSA-N 0 0 431.513 6.636 50 0 IKAARN COc1ccc(-c2nc(C(F)(F)F)n3ccc4cc(OC)c(OC)cc4c23)cc1OC ZINC000012371360 523191734 /nfs/dbraw/zinc/19/17/34/523191734.db2.gz CDFHWROIUQANBW-UHFFFAOYSA-N 0 0 432.398 5.208 50 0 IKAARN CN(Cc1ccc(Br)cc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000022756444 523200886 /nfs/dbraw/zinc/20/08/86/523200886.db2.gz CLHJQPMRKZEAMB-UHFFFAOYSA-N 0 0 440.366 5.046 50 0 IKAARN CC[C@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(OC)cc4)c(COC)nn32)C1 ZINC000035326934 523205384 /nfs/dbraw/zinc/20/53/84/523205384.db2.gz TUEPYQKXINFLAE-KRWDZBQOSA-N 0 0 445.538 5.872 50 0 IKAARN COc1ccc(-c2nc(COC(=O)CSCc3ccc(Cl)c(Cl)c3)no2)cc1 ZINC000012775417 523211934 /nfs/dbraw/zinc/21/19/34/523211934.db2.gz WDYZCBPFOKEMMA-UHFFFAOYSA-N 0 0 439.320 5.029 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(C)n3C3CCCCC3)cs2)cc1OC ZINC000012045156 523214124 /nfs/dbraw/zinc/21/41/24/523214124.db2.gz RTNIEMBLMMKFHT-UHFFFAOYSA-N 0 0 430.599 5.525 50 0 IKAARN COc1ccc(-c2nc(CSc3n[nH]c(C=Cc4ccc(C)o4)n3)cs2)cc1OC ZINC000012841847 523214192 /nfs/dbraw/zinc/21/41/92/523214192.db2.gz OTCFYDOFUAWHME-VQHVLOKHSA-N 0 0 440.550 5.310 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4ccccc4C)o3)cs2)cc1OC ZINC000021867852 523214348 /nfs/dbraw/zinc/21/43/48/523214348.db2.gz NMXYZDNHWANFLV-UHFFFAOYSA-N 0 0 425.535 5.478 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3sc(NC(=O)C(C)(C)C)cc3C)sc2C)cc1 ZINC000012738984 523221860 /nfs/dbraw/zinc/22/18/60/523221860.db2.gz QNRJJBPHDUUNLF-UHFFFAOYSA-N 0 0 443.594 5.734 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000034912764 523228409 /nfs/dbraw/zinc/22/84/09/523228409.db2.gz WMCINUNRYKKNFK-UHFFFAOYSA-N 0 0 425.410 5.589 50 0 IKAARN COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2ccc(C)s2)C2CC2)cc1 ZINC000011971087 523228542 /nfs/dbraw/zinc/22/85/42/523228542.db2.gz MJSICYQIIAMZDJ-UHFFFAOYSA-N 0 0 446.547 6.224 50 0 IKAARN COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2sccc2C)C2CC2)cc1 ZINC000012246721 523230548 /nfs/dbraw/zinc/23/05/48/523230548.db2.gz UGKCTSBKGWGRNB-UHFFFAOYSA-N 0 0 446.547 6.224 50 0 IKAARN CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1 ZINC000012774204 523234862 /nfs/dbraw/zinc/23/48/62/523234862.db2.gz XGCZWRFOSJKWIO-UHFFFAOYSA-N 0 0 431.974 5.455 50 0 IKAARN COc1ccc(-c2nc3sc4c(c3c(OCC(=O)Nc3ccccc3)n2)CCCC4)cc1 ZINC000021775297 523236631 /nfs/dbraw/zinc/23/66/31/523236631.db2.gz FIAJXXLLAGGNJD-UHFFFAOYSA-N 0 0 445.544 5.263 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)[C@@H](C)c2nccs2)cc1F ZINC000012458893 523244466 /nfs/dbraw/zinc/24/44/66/523244466.db2.gz WLHULBBPFQCMJF-KRWDZBQOSA-N 0 0 436.556 5.645 50 0 IKAARN CCn1c(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)nnc1C1CC1 ZINC000012907253 523245225 /nfs/dbraw/zinc/24/52/25/523245225.db2.gz ONVRUVJWPAOMJM-SNVBAGLBSA-N 0 0 429.596 5.055 50 0 IKAARN COCc1nn2c(ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000012322512 523245295 /nfs/dbraw/zinc/24/52/95/523245295.db2.gz VZOCBXOCWPEFEW-DOJUMQAQSA-N 0 0 443.934 5.655 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@@H]2c2nonc2C)cc1F ZINC000020534698 523245344 /nfs/dbraw/zinc/24/53/44/523245344.db2.gz VHMUNXQGAXKXJM-JOCHJYFZSA-N 0 0 447.514 5.024 50 0 IKAARN COc1ccc(-c2nn(Cc3cccc(OC)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017099274 523246165 /nfs/dbraw/zinc/24/61/65/523246165.db2.gz RSJHLBUIPUOPEJ-UHFFFAOYSA-N 0 0 434.923 5.945 50 0 IKAARN COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017103142 523246861 /nfs/dbraw/zinc/24/68/61/523246861.db2.gz QCCKPSQDHPMOIV-UHFFFAOYSA-N 0 0 439.342 6.589 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4cccc(Cl)c4)n3)o2)cc1 ZINC000035560742 523252443 /nfs/dbraw/zinc/25/24/43/523252443.db2.gz SJRGETSIZLOHDB-UHFFFAOYSA-N 0 0 443.894 5.621 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc(Cl)cc4)n3)o2)cc1 ZINC000035560749 523253095 /nfs/dbraw/zinc/25/30/95/523253095.db2.gz APTGSBVCEXXUDD-UHFFFAOYSA-N 0 0 443.894 5.621 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2-c2ccccc2C)cc1OC ZINC000035847489 523261695 /nfs/dbraw/zinc/26/16/95/523261695.db2.gz BMIPPLOFOFUJQL-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)o2)cc1 ZINC000012615423 523265032 /nfs/dbraw/zinc/26/50/32/523265032.db2.gz WQTKZWIYVXGSBF-OAQYLSRUSA-N 0 0 447.516 5.226 50 0 IKAARN CCn1c2ccccc2c(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1-c1ccccc1 ZINC000012547047 523272808 /nfs/dbraw/zinc/27/28/08/523272808.db2.gz NMWMEYRQVFHDQH-WCRBZPEASA-N 0 0 443.543 5.450 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3)C3CCCCC3)n2)cc1OC ZINC000012654046 523284877 /nfs/dbraw/zinc/28/48/77/523284877.db2.gz MOJXQQGJMWFPAX-UHFFFAOYSA-N 0 0 436.512 5.121 50 0 IKAARN COc1ccc(-c2nsc(NC(=O)c3oc4ccc(Br)cc4c3C)n2)cc1 ZINC000012111366 523306687 /nfs/dbraw/zinc/30/66/87/523306687.db2.gz VUZRNHWVSIMJOG-UHFFFAOYSA-N 0 0 444.310 5.283 50 0 IKAARN COc1ccc(-n2c(-c3ccc(O)cc3)nnc2C(c2ccccc2)c2ccccc2)cc1 ZINC000016361110 523306940 /nfs/dbraw/zinc/30/69/40/523306940.db2.gz UOJKZTXCYZKGLE-UHFFFAOYSA-N 0 0 433.511 5.829 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(F)cc2)cc1 ZINC000016954935 523309717 /nfs/dbraw/zinc/30/97/17/523309717.db2.gz BKJGMIYUUCWKHD-UHFFFAOYSA-N 0 0 431.492 5.307 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCc2cccc(Oc3ccccc3)c2)cc1 ZINC000015979063 523324405 /nfs/dbraw/zinc/32/44/05/523324405.db2.gz FGVYXZSHMUMSFS-UHFFFAOYSA-N 0 0 438.552 7.119 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000012622500 523324892 /nfs/dbraw/zinc/32/48/92/523324892.db2.gz HBTIRMHVNXXPSS-UHFFFAOYSA-N 0 0 445.588 6.062 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(C)cc1)CCCC3 ZINC000015735354 523336438 /nfs/dbraw/zinc/33/64/38/523336438.db2.gz MUBWMSWYHSNTPM-DEOSSOPVSA-N 0 0 449.620 5.377 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034712970 523339074 /nfs/dbraw/zinc/33/90/74/523339074.db2.gz LKLWNBUPTLQMBM-UHFFFAOYSA-N 0 0 448.975 6.315 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2cccc(OC(F)F)c2)cc3C(F)(F)F)cc1 ZINC000020604698 523345069 /nfs/dbraw/zinc/34/50/69/523345069.db2.gz XDGWIZSRBPBNAI-UHFFFAOYSA-N 0 0 449.379 6.025 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(C24CC5CC(CC(C5)C2)C4)cc3C(F)(F)F)cc1 ZINC000020604660 523346040 /nfs/dbraw/zinc/34/60/40/523346040.db2.gz KJUOXENCZZVTKK-UHFFFAOYSA-N 0 0 441.497 6.224 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(Cl)cc2)cc3C(F)F)cc1 ZINC000020602854 523347713 /nfs/dbraw/zinc/34/77/13/523347713.db2.gz BAOYCIJQVWGYSP-UHFFFAOYSA-N 0 0 425.866 6.565 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cnn(C)c2C)cc3C(F)(F)F)cc1 ZINC000020604364 523348322 /nfs/dbraw/zinc/34/83/22/523348322.db2.gz FPNVIFHPWSKCJO-UHFFFAOYSA-N 0 0 427.430 5.034 50 0 IKAARN CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1 ZINC000012796993 523373492 /nfs/dbraw/zinc/37/34/92/523373492.db2.gz OXYVGMZCIVUXNL-GFCCVEGCSA-N 0 0 425.381 5.281 50 0 IKAARN CN(Cc1ccccc1N1CCOCC1)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000012587775 523376431 /nfs/dbraw/zinc/37/64/31/523376431.db2.gz NKHVMOPGGHEVHR-UHFFFAOYSA-N 0 0 440.996 5.081 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)/C=C\c3ccc(OC)cc3)c2)cc1 ZINC000033335414 523397009 /nfs/dbraw/zinc/39/70/09/523397009.db2.gz PMESDYPFGBSGFE-VRNBXGKJSA-N 0 0 428.488 5.008 50 0 IKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3NC2=O)cc1 ZINC000020734167 523416070 /nfs/dbraw/zinc/41/60/70/523416070.db2.gz JUYIIBFFVRASBR-PXMYUXJPSA-N 0 0 436.577 5.335 50 0 IKAARN COc1ccc(/C=C2/c3ccccc3Cn3c4sc5c(c4c(=O)nc32)CCCC5)cc1 ZINC000034895421 523416234 /nfs/dbraw/zinc/41/62/34/523416234.db2.gz OMQRGRSCFAXEII-STZFKDTASA-N 0 0 426.541 5.296 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885381 523418312 /nfs/dbraw/zinc/41/83/12/523418312.db2.gz KDEUOMUGFVSIHZ-OAQYLSRUSA-N 0 0 426.944 5.169 50 0 IKAARN COc1ccc(/C=C2\N=C(/C=C/c3ccc(Cl)cc3Cl)OC2=O)c(OC)c1OC ZINC000020616064 523419536 /nfs/dbraw/zinc/41/95/36/523419536.db2.gz YJXRTKARNDLQAD-RKQKHZQPSA-N 0 0 434.275 5.029 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885187 523419682 /nfs/dbraw/zinc/41/96/82/523419682.db2.gz WJGKMVGZQDQJII-OAQYLSRUSA-N 0 0 426.944 5.169 50 0 IKAARN COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000035314899 523427125 /nfs/dbraw/zinc/42/71/25/523427125.db2.gz LXEPQUAYPLKGCV-IUXPMGMMSA-N 0 0 439.320 5.117 50 0 IKAARN COc1ccc(C=CC(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(OC)c1 ZINC000033734514 523432104 /nfs/dbraw/zinc/43/21/04/523432104.db2.gz ADIKYRPKUGVOHB-HOQSSANKSA-N 0 0 441.483 5.366 50 0 IKAARN COc1ccc(/C=C\C(=O)Nc2ccc3c(c2)N(C(C)=O)c2ccccc2CC3)cc1OC ZINC000012364186 523432932 /nfs/dbraw/zinc/43/29/32/523432932.db2.gz AOYAJTBOMJMSJT-DHDCSXOGSA-N 0 0 442.515 5.139 50 0 IKAARN CCn1cc([C@@H](CC(=O)NCc2ccc(F)cc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872257 523461458 /nfs/dbraw/zinc/46/14/58/523461458.db2.gz ANQDKAZOYAIMMQ-QFIPXVFZSA-N 0 0 444.506 5.367 50 0 IKAARN CCn1cc([C@@H](CC(=O)NCc2ccccc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872217 523462326 /nfs/dbraw/zinc/46/23/26/523462326.db2.gz ALTRTJVIYKASTQ-QFIPXVFZSA-N 0 0 426.516 5.228 50 0 IKAARN CCn1cc([C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c(C)n1 ZINC000020606883 523470397 /nfs/dbraw/zinc/47/03/97/523470397.db2.gz HCQZVIWWOMNWRR-LBPRGKRZSA-N 0 0 447.486 5.122 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)c2ccccc21 ZINC000035872184 523477343 /nfs/dbraw/zinc/47/73/43/523477343.db2.gz NTYDWEUHTRALEJ-HFZDXXHNSA-N 0 0 442.578 6.460 50 0 IKAARN CCn1cc([C@H](CC(=O)NCc2ccccc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872218 523478725 /nfs/dbraw/zinc/47/87/25/523478725.db2.gz ALTRTJVIYKASTQ-JOCHJYFZSA-N 0 0 426.516 5.228 50 0 IKAARN COc1ccc(Br)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000012903947 523480212 /nfs/dbraw/zinc/48/02/12/523480212.db2.gz UUUASFQJTKBLEF-UHFFFAOYSA-N 0 0 443.322 5.257 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@H](C)c2ccccc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872222 523480685 /nfs/dbraw/zinc/48/06/85/523480685.db2.gz DTKUTDXXBKKWEE-AUSIDOKSSA-N 0 0 440.543 5.789 50 0 IKAARN CCn1cc([C@H]2c3[nH]c4ccccc4c3CCN2C(=S)Nc2ccc(F)cc2)c(C)n1 ZINC000022170930 523484744 /nfs/dbraw/zinc/48/47/44/523484744.db2.gz PYAMUDTTZOIHAC-QHCPKHFHSA-N 0 0 433.556 5.176 50 0 IKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000009886739 523489257 /nfs/dbraw/zinc/48/92/57/523489257.db2.gz OJHYNUMJOYHVCL-XCVCLJGOSA-N 0 0 429.358 5.346 50 0 IKAARN COc1ccc(Br)cc1CN(C)C(=O)c1nc(-c2ccc(Cl)cc2)oc1C ZINC000012793991 523496937 /nfs/dbraw/zinc/49/69/37/523496937.db2.gz JJLDYXKGLRHUFG-UHFFFAOYSA-N 0 0 449.732 5.347 50 0 IKAARN COCCCn1c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605214 523501802 /nfs/dbraw/zinc/50/18/02/523501802.db2.gz NPVDYUTUNAMOQC-UHFFFAOYSA-N 0 0 445.466 5.330 50 0 IKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000012603480 523563654 /nfs/dbraw/zinc/56/36/54/523563654.db2.gz KYCJZJCJUDHSSQ-UHFFFAOYSA-N 0 0 447.445 5.149 50 0 IKAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1NC(=O)c1cccs1 ZINC000012797475 523569348 /nfs/dbraw/zinc/56/93/48/523569348.db2.gz VNUALUNZXAQUAE-UHFFFAOYSA-N 0 0 441.965 5.536 50 0 IKAARN COc1ccc(C(=O)C2CCN(Cc3nc4ccccc4c(-c4ccccc4)n3)CC2)cc1 ZINC000012823765 523574864 /nfs/dbraw/zinc/57/48/64/523574864.db2.gz HQBHDRPXCYUHDT-UHFFFAOYSA-N 0 0 437.543 5.400 50 0 IKAARN COc1ccc(C(=O)COc2ccc(-c3cc(=O)c4c(C)oc(C)c4c(OC)c3)cc2)cc1 ZINC000012890505 523588234 /nfs/dbraw/zinc/58/82/34/523588234.db2.gz RLBXXEUATAIFQF-UHFFFAOYSA-N 0 0 444.483 5.356 50 0 biogenic IKAARN CC[C@]1(C)C[C@](CCNC(=O)c2ccc(OCC(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000016115931 523597944 /nfs/dbraw/zinc/59/79/44/523597944.db2.gz UXYBJIUSAKZAAD-KAYWLYCHSA-N 0 0 441.587 5.898 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885189 523606166 /nfs/dbraw/zinc/60/61/66/523606166.db2.gz WJGKMVGZQDQJII-NRFANRHFSA-N 0 0 426.944 5.169 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(OC)cc3)on2)Cc2ccc(F)cc2)cc1 ZINC000036012093 523613727 /nfs/dbraw/zinc/61/37/27/523613727.db2.gz YVXYZMGUXCJRAY-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN COc1ccc(C(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1OC ZINC000023310608 523623485 /nfs/dbraw/zinc/62/34/85/523623485.db2.gz YAQKVGJLDMUSCW-UHFFFAOYSA-N 0 0 429.560 5.856 50 0 IKAARN COc1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1OCc1ccccn1 ZINC000012523274 523623793 /nfs/dbraw/zinc/62/37/93/523623793.db2.gz NKWFBFYEZLQUCM-UHFFFAOYSA-N 0 0 444.575 5.463 50 0 IKAARN CN(c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1NC(=O)C(F)(F)F ZINC000012542769 523631484 /nfs/dbraw/zinc/63/14/84/523631484.db2.gz URFKTVBAEPIZCB-UHFFFAOYSA-N 0 0 436.437 5.808 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3F)C2)c2ccccc12 ZINC000012797101 523639895 /nfs/dbraw/zinc/63/98/95/523639895.db2.gz HRNKJOSWCHMQCW-HNNXBMFYSA-N 0 0 440.902 5.132 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C)C2)c2ccccc12 ZINC000012768961 523641063 /nfs/dbraw/zinc/64/10/63/523641063.db2.gz KJZCRTBHBBGQSK-KRWDZBQOSA-N 0 0 436.939 5.301 50 0 IKAARN COC(=O)[C@@H](OC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1 ZINC000023220873 523648779 /nfs/dbraw/zinc/64/87/79/523648779.db2.gz AAAKYCNLLRCKCK-SFHVURJKSA-N 0 0 436.316 5.117 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000012558997 523679829 /nfs/dbraw/zinc/67/98/29/523679829.db2.gz TWYYEZFPVJUTSA-GDLZYMKVSA-N 0 0 446.550 6.916 50 0 IKAARN CCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639811 523704829 /nfs/dbraw/zinc/70/48/29/523704829.db2.gz CHYLWYRRGQPYQK-UHFFFAOYSA-N 0 0 443.894 5.544 50 0 IKAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000035889735 523709746 /nfs/dbraw/zinc/70/97/46/523709746.db2.gz VMXFTNVGASXDDC-VWLOTQADSA-N 0 0 442.607 5.165 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(OC)c(OC)c1)[C@H]2c1ccccc1 ZINC000021047924 523717920 /nfs/dbraw/zinc/71/79/20/523717920.db2.gz NHOWKYWHAHTRRW-QHCPKHFHSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccc(C)cc1)[C@@H]2c1ccc(OC)cc1 ZINC000021048357 523718881 /nfs/dbraw/zinc/71/88/81/523718881.db2.gz IIBXABVODBJQES-XMMPIXPASA-N 0 0 434.605 5.793 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1cccc(SC)c1)[C@H]2c1ccccc1 ZINC000021045564 523719089 /nfs/dbraw/zinc/71/90/89/523719089.db2.gz LYYQJAAZINKSDN-DEOSSOPVSA-N 0 0 436.646 5.927 50 0 IKAARN COc1ccc(C(=O)N[C@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)cc1 ZINC000002667009 523736408 /nfs/dbraw/zinc/73/64/08/523736408.db2.gz GSLCJVJPKZVGLQ-HNNXBMFYSA-N 0 0 441.664 5.252 50 0 IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC000020492404 523738031 /nfs/dbraw/zinc/73/80/31/523738031.db2.gz PFFLUEGHDRJJRY-RTBURBONSA-N 0 0 430.451 5.316 50 0 IKAARN COCCN(Cc1cc2ccc(F)cc2nc1-c1ccc(C)cc1)C(=O)c1ccc(C)s1 ZINC000015069367 523741838 /nfs/dbraw/zinc/74/18/38/523741838.db2.gz LEOVAHJCGSUZDG-UHFFFAOYSA-N 0 0 448.563 6.008 50 0 IKAARN COCCN(Cc1cc2ccc(SC)cc2nc1-c1ccccc1C)C(=O)c1ccco1 ZINC000012151709 523741996 /nfs/dbraw/zinc/74/19/96/523741996.db2.gz CNNBMEMRYXGHBO-UHFFFAOYSA-N 0 0 446.572 5.814 50 0 IKAARN COc1ccc(C(=O)Nc2c(C)nc(Nc3ccccc3)nc2Nc2ccccc2)cc1 ZINC000021777055 523742024 /nfs/dbraw/zinc/74/20/24/523742024.db2.gz NLETUCCBQUHHDX-UHFFFAOYSA-N 0 0 425.492 5.533 50 0 IKAARN COCCN(Cc1cc2ccc(F)cc2nc1-c1ccc(C)cc1)C(=O)c1cccs1 ZINC000015008660 523742274 /nfs/dbraw/zinc/74/22/74/523742274.db2.gz WVNOULHCDZPGPQ-UHFFFAOYSA-N 0 0 434.536 5.700 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Br ZINC000002980578 523743522 /nfs/dbraw/zinc/74/35/22/523743522.db2.gz ZTIIGPGJQSTUJZ-UHFFFAOYSA-N 0 0 442.153 5.748 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br ZINC000014553131 523752169 /nfs/dbraw/zinc/75/21/69/523752169.db2.gz VGVGXPUVSJKQTF-UHFFFAOYSA-N 0 0 439.309 5.271 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccc(F)c3)c2)cc1 ZINC000037385286 523754969 /nfs/dbraw/zinc/75/49/69/523754969.db2.gz ZOUXYNHDZYKGFE-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN CC[C@H](C(=O)N(Cc1cccn1Cc1cccc(Cl)c1)C1CCCCC1)c1ccccc1 ZINC000035728894 523754982 /nfs/dbraw/zinc/75/49/82/523754982.db2.gz SWWMVTMWKQTAKZ-MHZLTWQESA-N 0 0 449.038 7.045 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C(C)C)cc1OC ZINC000021355246 523756188 /nfs/dbraw/zinc/75/61/88/523756188.db2.gz UAIOQTXUHGZVPQ-UHFFFAOYSA-N 0 0 448.544 5.476 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)cc1 ZINC000035928596 523757369 /nfs/dbraw/zinc/75/73/69/523757369.db2.gz NYXFVTHUPZBFNG-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)c2)cc1 ZINC000034797009 523757829 /nfs/dbraw/zinc/75/78/29/523757829.db2.gz HNEJUSLGKDRBAU-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927537 523760245 /nfs/dbraw/zinc/76/02/45/523760245.db2.gz BJZRFLZHJVHUSS-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2SCc2nnc(-c3ccccc3)o2)cc1OC ZINC000021709243 523761323 /nfs/dbraw/zinc/76/13/23/523761323.db2.gz NSWKRODTVINVRE-UHFFFAOYSA-N 0 0 447.516 5.298 50 0 IKAARN CC[C@H](C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000012418886 523763988 /nfs/dbraw/zinc/76/39/88/523763988.db2.gz LFGCNBYESLAGSP-QHCPKHFHSA-N 0 0 436.559 5.139 50 0 IKAARN COc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(C)cc4)OC3=O)cc2Cl)cc1 ZINC000016116063 523774827 /nfs/dbraw/zinc/77/48/27/523774827.db2.gz HNJCBXMPKXMKCS-KGENOOAVSA-N 0 0 447.874 5.221 50 0 IKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1OC ZINC000035325948 523783324 /nfs/dbraw/zinc/78/33/24/523783324.db2.gz QKSIYZHXTUDLPA-UHFFFAOYSA-N 0 0 444.556 5.673 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cc(C)ccc2F)cc1)c1ccccc1 ZINC000035928008 523800837 /nfs/dbraw/zinc/80/08/37/523800837.db2.gz QVAMYIPNYOYNHO-HFZDXXHNSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cc(C)ccc2F)cc1)c1ccccc1 ZINC000035928010 523801044 /nfs/dbraw/zinc/80/10/44/523801044.db2.gz QVAMYIPNYOYNHO-LVXARBLLSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000035910133 523801383 /nfs/dbraw/zinc/80/13/83/523801383.db2.gz HARHFTNQKCWDOV-DHLKQENFSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2C)cc1)c1ccccc1 ZINC000035927161 523801439 /nfs/dbraw/zinc/80/14/39/523801439.db2.gz OPKOBFVEHXQSLW-HOFKKMOUSA-N 0 0 444.600 6.214 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532392 523804477 /nfs/dbraw/zinc/80/44/77/523804477.db2.gz UYSAWECAVSUILW-HXUWFJFHSA-N 0 0 438.503 5.592 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)c1)c1ccccc1 ZINC000035910873 523804502 /nfs/dbraw/zinc/80/45/02/523804502.db2.gz FSSGUWMWUKXIFW-OZXSUGGESA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1 ZINC000035927309 523804802 /nfs/dbraw/zinc/80/48/02/523804802.db2.gz AQVXXUGRNZSBCC-DHLKQENFSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccccc1 ZINC000035912944 523806865 /nfs/dbraw/zinc/80/68/65/523806865.db2.gz GXFHGRMXIQQCQN-INIZCTEOSA-N 0 0 437.512 5.982 50 0 IKAARN CCc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034907257 523818466 /nfs/dbraw/zinc/81/84/66/523818466.db2.gz XOHTVYUSOREHQN-UHFFFAOYSA-N 0 0 439.140 5.756 50 0 IKAARN COc1ccc(C)cc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000035910188 523819516 /nfs/dbraw/zinc/81/95/16/523819516.db2.gz MIENFGASUKGWPJ-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN CN(C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)C1CCCCC1 ZINC000034793960 523830428 /nfs/dbraw/zinc/83/04/28/523830428.db2.gz RWTCTQVJBJUORW-UHFFFAOYSA-N 0 0 442.968 5.565 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888908 523833704 /nfs/dbraw/zinc/83/37/04/523833704.db2.gz VOXLRPZBXDFYMH-SANMLTNESA-N 0 0 441.506 6.071 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 ZINC000009663908 523834174 /nfs/dbraw/zinc/83/41/74/523834174.db2.gz GGGXVEOXRQNASH-QHCPKHFHSA-N 0 0 444.560 5.365 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000012567744 523837203 /nfs/dbraw/zinc/83/72/03/523837203.db2.gz TVFWSBMFKDJEAK-AREMUKBSSA-N 0 0 440.547 5.001 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 ZINC000012568135 523839643 /nfs/dbraw/zinc/83/96/43/523839643.db2.gz OJNMNUYRCCCUCU-HHHXNRCGSA-N 0 0 443.591 6.032 50 0 IKAARN CN(C(=O)C[C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000012408608 523841483 /nfs/dbraw/zinc/84/14/83/523841483.db2.gz TULKOYIVOUPXHN-CTNGQTDRSA-N 0 0 434.407 6.126 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476914 523843940 /nfs/dbraw/zinc/84/39/40/523843940.db2.gz HKCWDLQTETYBIC-HSZRJFAPSA-N 0 0 428.561 5.863 50 0 IKAARN CCc1cc2c(cc1OC(C)=O)oc(C(F)(F)F)c(-c1nc3ccccc3s1)c2=O ZINC000011867605 523845528 /nfs/dbraw/zinc/84/55/28/523845528.db2.gz NJXOWGCUGMEMQL-UHFFFAOYSA-N 0 0 433.407 5.576 50 0 IKAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCC(C)CC2)N(C2CCCC2)C3=O)s1 ZINC000021526085 523845564 /nfs/dbraw/zinc/84/55/64/523845564.db2.gz OPTPJDHALPTCCM-SBSMMSGMSA-N 0 0 441.641 5.117 50 0 IKAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCC(C)CC2)N(CCC(C)C)C3=O)s1 ZINC000021526070 523845790 /nfs/dbraw/zinc/84/57/90/523845790.db2.gz AVFVWXXBKTXBML-KRFIBBNCSA-N 0 0 443.657 5.221 50 0 IKAARN COc1ccc(C)cc1[C@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000012738706 523857038 /nfs/dbraw/zinc/85/70/38/523857038.db2.gz BPFAZPBQHQXHGR-FQEVSTJZSA-N 0 0 440.543 6.136 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nnc(NC(C)C)s3)n2)cc1 ZINC000012589286 523858024 /nfs/dbraw/zinc/85/80/24/523858024.db2.gz DVOOGZBTSGJFBP-LBPRGKRZSA-N 0 0 433.628 5.164 50 0 IKAARN CCc1ccc(-c2nc(CSCC(=O)NCCCSCCC(C)C)c(C)o2)cc1 ZINC000020734706 523861311 /nfs/dbraw/zinc/86/13/11/523861311.db2.gz WQBAEABZGZOKKJ-UHFFFAOYSA-N 0 0 434.671 5.731 50 0 IKAARN CCc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)cc(OC)c2O3)cc1 ZINC000015830904 523861943 /nfs/dbraw/zinc/86/19/43/523861943.db2.gz YYIAMAMGVDRLIE-UHFFFAOYSA-N 0 0 429.339 5.462 50 0 IKAARN CCc1ccc(-n2c(-c3ccccc3)cn3c2nc(-c2ccccc2)c3-c2ccccc2)cc1 ZINC000012413459 523865788 /nfs/dbraw/zinc/86/57/88/523865788.db2.gz RDULWDBYPMKHQW-UHFFFAOYSA-N 0 0 439.562 7.688 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)N(CC)c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000009664278 523867197 /nfs/dbraw/zinc/86/71/97/523867197.db2.gz XMQNSRZIXJJKBL-UHFFFAOYSA-N 0 0 443.576 5.037 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000020943316 523867735 /nfs/dbraw/zinc/86/77/35/523867735.db2.gz IMZIWSPJDYWWFV-UHFFFAOYSA-N 0 0 434.927 5.514 50 0 IKAARN CCc1ccc(-n2ncc(-c3cc(C(=O)NCc4ccccc4)c4ccccc4n3)c2C)cc1 ZINC000032998463 523869018 /nfs/dbraw/zinc/86/90/18/523869018.db2.gz LVEVYQKCRCKXBZ-UHFFFAOYSA-N 0 0 446.554 5.888 50 0 IKAARN CCc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 ZINC000020728225 523874054 /nfs/dbraw/zinc/87/40/54/523874054.db2.gz FDZQOKLNYGJWPK-IWIPYMOSSA-N 0 0 446.547 5.184 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@@H](c3ccccc3)C2)cc1 ZINC000035061780 523876743 /nfs/dbraw/zinc/87/67/43/523876743.db2.gz WAPXVSRYLDJVAD-JOCHJYFZSA-N 0 0 435.321 5.449 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000012321035 523877831 /nfs/dbraw/zinc/87/78/31/523877831.db2.gz FYVSKJMOXGOXNM-JTHBVZDNSA-N 0 0 443.305 6.383 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000012273728 523878034 /nfs/dbraw/zinc/87/80/34/523878034.db2.gz LWTDUWPNTJNGAZ-NBGIEHNGSA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](C(F)(F)C(F)F)C2)cc1 ZINC000033434157 523878059 /nfs/dbraw/zinc/87/80/59/523878059.db2.gz FYZYLZYTAQDYCB-SFHVURJKSA-N 0 0 435.446 5.702 50 0 IKAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)CC(C)C)C2)cc1 ZINC000035944432 523879770 /nfs/dbraw/zinc/87/97/70/523879770.db2.gz RFUWYRKGWNPKME-OAQYLSRUSA-N 0 0 448.485 5.282 50 0 IKAARN CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 ZINC000001320594 523879767 /nfs/dbraw/zinc/87/97/67/523879767.db2.gz UHESYKXBFWZOIH-VWLOTQADSA-N 0 0 437.898 5.049 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000012273729 523880158 /nfs/dbraw/zinc/88/01/58/523880158.db2.gz LWTDUWPNTJNGAZ-CJFMBICVSA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012195806 523880217 /nfs/dbraw/zinc/88/02/17/523880217.db2.gz LDMWKTXETIJEGU-FYYLOGMGSA-N 0 0 426.850 5.869 50 0 IKAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000036014551 523881345 /nfs/dbraw/zinc/88/13/45/523881345.db2.gz VYWRLKFFOKATHS-NRFANRHFSA-N 0 0 428.960 5.307 50 0 IKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000020851055 523882135 /nfs/dbraw/zinc/88/21/35/523882135.db2.gz LSBOETSBXIKSRH-JOCHJYFZSA-N 0 0 436.964 6.281 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000005950105 523888221 /nfs/dbraw/zinc/88/82/21/523888221.db2.gz AIYNPMBEHKHNNQ-UHFFFAOYSA-N 0 0 431.586 5.961 50 0 IKAARN COCCN1c2ccc(NC(=O)c3ccc(OC)cc3C)cc2Sc2ccccc2C1=O ZINC000021355446 523889109 /nfs/dbraw/zinc/88/91/09/523889109.db2.gz QKTDSDIHOKLTIX-UHFFFAOYSA-N 0 0 448.544 5.014 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(CC)c3)cc2)cc1 ZINC000035928741 523895896 /nfs/dbraw/zinc/89/58/96/523895896.db2.gz UXAZIBWKEBRHOF-SANMLTNESA-N 0 0 430.573 5.842 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(OC)cc3)c2)cc1 ZINC000035912339 523896144 /nfs/dbraw/zinc/89/61/44/523896144.db2.gz JYATZVSFPZMFFX-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cc(C)ccc3F)c2)cc1 ZINC000035928070 523896233 /nfs/dbraw/zinc/89/62/33/523896233.db2.gz FUEARTZNVYREDJ-RUZDIDTESA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)cc2)cc1 ZINC000035928021 523896346 /nfs/dbraw/zinc/89/63/46/523896346.db2.gz FRMQWNRIJQHCIW-VWLOTQADSA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(CC)cc3)cc2)cc1 ZINC000035912442 523896657 /nfs/dbraw/zinc/89/66/57/523896657.db2.gz DMBHHOAIGHIGOG-SANMLTNESA-N 0 0 430.573 5.842 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1 ZINC000035927528 523896665 /nfs/dbraw/zinc/89/66/65/523896665.db2.gz BRWIDRONRCEHSK-MHZLTWQESA-N 0 0 444.600 6.403 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc4c(c3)OCO4)c2)cc1 ZINC000035927402 523896723 /nfs/dbraw/zinc/89/67/23/523896723.db2.gz YLEWPJNFWLQCEC-VWLOTQADSA-N 0 0 446.528 5.009 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000033646971 523899434 /nfs/dbraw/zinc/89/94/34/523899434.db2.gz IYWNXLOMFGBTON-SANMLTNESA-N 0 0 440.587 5.591 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000035372094 523899621 /nfs/dbraw/zinc/89/96/21/523899621.db2.gz NVBNHHRGWKFILZ-XMMPIXPASA-N 0 0 428.532 5.255 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@H](C)c3nnc(-c4cccs4)o3)nc(=O)c12 ZINC000012595655 523906355 /nfs/dbraw/zinc/90/63/55/523906355.db2.gz YCFULQFJDRGXSI-CMPLNLGQSA-N 0 0 446.623 5.846 50 0 IKAARN COc1ccc(CC(=O)Nc2cccc(N3CCCN(Cc4cccc(C)c4)C3=O)c2)cc1 ZINC000034735309 523911506 /nfs/dbraw/zinc/91/15/06/523911506.db2.gz QGQLGTCRXTURDZ-UHFFFAOYSA-N 0 0 443.547 5.017 50 0 IKAARN COc1ccc(CC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000022666678 523916114 /nfs/dbraw/zinc/91/61/14/523916114.db2.gz OHPKNLKPZDGPHD-UHFFFAOYSA-N 0 0 447.906 5.011 50 0 IKAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000012062669 523922669 /nfs/dbraw/zinc/92/26/69/523922669.db2.gz QVSWDHPLLVFFRQ-UHFFFAOYSA-N 0 0 446.550 6.900 50 0 IKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000024501228 523922936 /nfs/dbraw/zinc/92/29/36/523922936.db2.gz NIVHFQZNBBCLPH-UHFFFAOYSA-N 0 0 425.532 5.379 50 0 IKAARN CC[C@H](C)N(CCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)C(=O)C1CCCC1 ZINC000035701114 523936295 /nfs/dbraw/zinc/93/62/95/523936295.db2.gz GGGGEOYNAASCBG-AWEZNQCLSA-N 0 0 434.993 5.004 50 0 IKAARN COC(=O)[C@H](OC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1 ZINC000023220874 523937088 /nfs/dbraw/zinc/93/70/88/523937088.db2.gz AAAKYCNLLRCKCK-GOSISDBHSA-N 0 0 436.316 5.117 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C(C)=O ZINC000035970286 523941064 /nfs/dbraw/zinc/94/10/64/523941064.db2.gz FSGYXWHCTLIVAM-INIZCTEOSA-N 0 0 441.959 5.782 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000035945475 523942110 /nfs/dbraw/zinc/94/21/10/523942110.db2.gz JTPSYLTUFZORQK-CPJSRVTESA-N 0 0 449.639 5.812 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000035945545 523942291 /nfs/dbraw/zinc/94/22/91/523942291.db2.gz DPKZHIMILIMQJZ-IBGZPJMESA-N 0 0 433.552 5.347 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)c1cccs1 ZINC000035945250 523942402 /nfs/dbraw/zinc/94/24/02/523942402.db2.gz KDPANQWTNSDWHF-INIZCTEOSA-N 0 0 441.622 5.569 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(C)cc1 ZINC000036031521 523944662 /nfs/dbraw/zinc/94/46/62/523944662.db2.gz HQKRBRZLYSXORG-KRWDZBQOSA-N 0 0 428.985 6.125 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000002156402 523947293 /nfs/dbraw/zinc/94/72/93/523947293.db2.gz FKWXZHXWPHYBQI-VWLOTQADSA-N 0 0 439.511 5.206 50 0 biogenic IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000021345769 523953838 /nfs/dbraw/zinc/95/38/38/523953838.db2.gz YUCYZQSFMOVWQK-UHFFFAOYSA-N 0 0 444.000 5.523 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000014664145 523953941 /nfs/dbraw/zinc/95/39/41/523953941.db2.gz NIGDHJIXRMVSMX-UHFFFAOYSA-N 0 0 449.016 5.200 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526472 523964206 /nfs/dbraw/zinc/96/42/06/523964206.db2.gz KLDVKPFPKZSVSS-AREMUKBSSA-N 0 0 433.552 5.055 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902775 523964270 /nfs/dbraw/zinc/96/42/70/523964270.db2.gz HXESDQNPPKOFHD-MHZLTWQESA-N 0 0 429.564 5.072 50 0 IKAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)cc1 ZINC000021096136 523974577 /nfs/dbraw/zinc/97/45/77/523974577.db2.gz ZLPDPDKZDGNFIB-UHFFFAOYSA-N 0 0 431.536 6.315 50 0 IKAARN CCc1ccc(NC(=O)Cn2c3cc(C)ccc3cc(CNc3ccccc3)c2=O)cc1 ZINC000020940058 523976550 /nfs/dbraw/zinc/97/65/50/523976550.db2.gz QWFOPKFHKAIVPP-UHFFFAOYSA-N 0 0 425.532 5.123 50 0 IKAARN CCc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038152 523980475 /nfs/dbraw/zinc/98/04/75/523980475.db2.gz KTUVCNYNDCLWOY-UHFFFAOYSA-N 0 0 426.520 5.283 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)cc1 ZINC000021893811 523983421 /nfs/dbraw/zinc/98/34/21/523983421.db2.gz WRJKIVRFIVGJMM-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000021892006 523983909 /nfs/dbraw/zinc/98/39/09/523983909.db2.gz ZLCOLNNCOHEUDZ-MHZLTWQESA-N 0 0 437.543 6.185 50 0 IKAARN COc1ccc(CN(C(=O)c2ccccc2F)C2CCCC2)cc1OCc1cccs1 ZINC000012278376 523990707 /nfs/dbraw/zinc/99/07/07/523990707.db2.gz NQMQRVXXLHWFAO-UHFFFAOYSA-N 0 0 439.552 6.060 50 0 IKAARN CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000012825433 523991911 /nfs/dbraw/zinc/99/19/11/523991911.db2.gz KWPXIEOXGHDVBN-UHFFFAOYSA-N 0 0 442.563 5.152 50 0 IKAARN COc1ccc(CN(C(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)C2CC2)cc1 ZINC000012781441 523992233 /nfs/dbraw/zinc/99/22/33/523992233.db2.gz OTUPDWDRRFSMEW-UHFFFAOYSA-N 0 0 433.533 5.382 50 0 IKAARN CN1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000022905023 523996268 /nfs/dbraw/zinc/99/62/68/523996268.db2.gz SYVMIBRSYMZSNT-UHFFFAOYSA-N 0 0 445.569 6.011 50 0 IKAARN CN1CCc2nc3sc(C(=O)c4cccc(Cl)c4)c(N)c3c(-c3cccs3)c2C1 ZINC000020546376 524003308 /nfs/dbraw/zinc/00/33/08/524003308.db2.gz IRMDAXCSPQXIAS-UHFFFAOYSA-N 0 0 439.993 5.479 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000016902544 524007216 /nfs/dbraw/zinc/00/72/16/524007216.db2.gz NMDVGPXOXYWAQB-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012558159 524021975 /nfs/dbraw/zinc/02/19/75/524021975.db2.gz WMEWSHHWEPFGKH-UHFFFAOYSA-N 0 0 441.453 5.081 50 0 IKAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000037545177 524026942 /nfs/dbraw/zinc/02/69/42/524026942.db2.gz RNKATKJZTDIKAL-UHFFFAOYSA-N 0 0 430.508 5.172 50 0 IKAARN CN1c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2Sc2ccccc2C1=O ZINC000015826046 524032388 /nfs/dbraw/zinc/03/23/88/524032388.db2.gz YNYQDLOUDFKWNR-UHFFFAOYSA-N 0 0 426.900 5.402 50 0 IKAARN CN1c2ccc(NC(=O)c3cccc(Br)c3)cc2Sc2ccccc2C1=O ZINC000021653062 524032469 /nfs/dbraw/zinc/03/24/69/524032469.db2.gz LTJUEZMGJIITAV-UHFFFAOYSA-N 0 0 439.334 5.443 50 0 IKAARN CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccc3c(c2)oc2ccccc23)C1=O ZINC000012416887 524036030 /nfs/dbraw/zinc/03/60/30/524036030.db2.gz GCPZTOAYQRIONH-NDEPHWFRSA-N 0 0 445.478 5.488 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021536687 524040937 /nfs/dbraw/zinc/04/09/37/524040937.db2.gz XJLCCMIZESSUHQ-MUUNZHRXSA-N 0 0 435.571 5.897 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000021892943 524041123 /nfs/dbraw/zinc/04/11/23/524041123.db2.gz BXISSEKIYQFOJM-HHHXNRCGSA-N 0 0 437.543 6.185 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000021893011 524041408 /nfs/dbraw/zinc/04/14/08/524041408.db2.gz CFDHOUBZULPBNL-HHHXNRCGSA-N 0 0 437.543 6.185 50 0 IKAARN CCc1ccc([C@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@H]3c3[nH]c4ccccc4c32)cc1 ZINC000012884754 524056054 /nfs/dbraw/zinc/05/60/54/524056054.db2.gz KNHKMDWJHCJIQX-IBVKSMDESA-N 0 0 438.527 5.438 50 0 biogenic IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000021892963 524056723 /nfs/dbraw/zinc/05/67/23/524056723.db2.gz XFKOKWZLHJBJKQ-NDEPHWFRSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(F)cc2)cc1 ZINC000021893152 524056891 /nfs/dbraw/zinc/05/68/91/524056891.db2.gz RGOSVYYQDFAGOM-MHZLTWQESA-N 0 0 439.534 5.994 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000022229390 524061095 /nfs/dbraw/zinc/06/10/95/524061095.db2.gz SSVBCBADBNMVGP-UHFFFAOYSA-N 0 0 449.963 6.146 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1 ZINC000002208449 524063769 /nfs/dbraw/zinc/06/37/69/524063769.db2.gz HEVUNBFUPZPPIU-UHFFFAOYSA-N 0 0 443.576 5.239 50 0 IKAARN COc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000012424621 524064074 /nfs/dbraw/zinc/06/40/74/524064074.db2.gz GGRQFUXCUAHLLS-HNNXBMFYSA-N 0 0 435.574 5.164 50 0 IKAARN CCc1cccc(C)c1NC(=O)Nc1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 ZINC000015671905 524065256 /nfs/dbraw/zinc/06/52/56/524065256.db2.gz WFMGFMAGGQQHTM-UHFFFAOYSA-N 0 0 431.561 6.333 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cn(-c2cc(-c3noc(C4CC4)n3)ccc2C)nc1C ZINC000033275328 524065984 /nfs/dbraw/zinc/06/59/84/524065984.db2.gz NKAWXLKWFYREGR-UHFFFAOYSA-N 0 0 441.535 5.540 50 0 IKAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020605421 524067250 /nfs/dbraw/zinc/06/72/50/524067250.db2.gz BWRMWNSMPOMTJF-UHFFFAOYSA-N 0 0 449.498 5.627 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COc3ccccc3)c2)c1 ZINC000035928756 524071392 /nfs/dbraw/zinc/07/13/92/524071392.db2.gz DZXHVEHBOXHWLC-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](CC)c3ccccc3)c2)c1 ZINC000035928771 524071500 /nfs/dbraw/zinc/07/15/00/524071500.db2.gz QVGHKYPBFWMPRT-IGKIAQTJSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(OC)cc3)c2)c1 ZINC000035928747 524071544 /nfs/dbraw/zinc/07/15/44/524071544.db2.gz HTFZNIUIAXOVKR-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN CCc1cccc(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)c1 ZINC000021657867 524071554 /nfs/dbraw/zinc/07/15/54/524071554.db2.gz DCYILTADOOQIKP-UHFFFAOYSA-N 0 0 448.588 5.882 50 0 IKAARN CNC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)C/C2=C/c1cccs1 ZINC000012660122 524074753 /nfs/dbraw/zinc/07/47/53/524074753.db2.gz MYYCJYUYCBBNOW-VZVUQDNOSA-N 0 0 448.588 5.348 50 0 IKAARN CNC(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)C/C2=C/c1cccs1 ZINC000012660121 524074767 /nfs/dbraw/zinc/07/47/67/524074767.db2.gz MYYCJYUYCBBNOW-NOCRFKNCSA-N 0 0 448.588 5.348 50 0 IKAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2c1 ZINC000032953393 524084468 /nfs/dbraw/zinc/08/44/68/524084468.db2.gz FLINYUHVLWPNFZ-UHFFFAOYSA-N 0 0 436.559 5.184 50 0 IKAARN COc1cccc([C@@H](CC(=O)N[C@@H](C)c2ccccc2)c2c[nH]c3ccccc32)c1OC ZINC000035910667 524091959 /nfs/dbraw/zinc/09/19/59/524091959.db2.gz ONUCWVBHJOGPHD-PGRDOPGGSA-N 0 0 428.532 5.585 50 0 IKAARN Cc1ccc2sc(-c3ccc(N4C(=O)C[C@@H](Sc5ccc(N)cc5)C4=O)cc3)nc2c1 ZINC000034926271 524099491 /nfs/dbraw/zinc/09/94/91/524099491.db2.gz QZDLMIRUNBRTEU-OAQYLSRUSA-N 0 0 445.569 5.278 50 0 IKAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)C1 ZINC000012753262 524099682 /nfs/dbraw/zinc/09/96/82/524099682.db2.gz LPMFHYFBJPQQBP-HNNXBMFYSA-N 0 0 433.668 5.496 50 0 IKAARN COc1cccc([C@@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476845 524100804 /nfs/dbraw/zinc/10/08/04/524100804.db2.gz SGGSZWVXEJKQGU-XMMPIXPASA-N 0 0 443.572 6.222 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccccc4F)cc3)C2=O)c1 ZINC000034736756 524101528 /nfs/dbraw/zinc/10/15/28/524101528.db2.gz CDXCMDHRJHCVPM-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1cc(C(=O)NCc2cccc(Br)c2)c2cccc(-c3cccs3)c2n1 ZINC000021705123 524104984 /nfs/dbraw/zinc/10/49/84/524104984.db2.gz VMYYEVJEBYMRLK-UHFFFAOYSA-N 0 0 437.362 5.964 50 0 IKAARN Cc1cccc(-c2c3c4c(sc3nc(C)c2C(=O)Nc2ccccc2C)C[C@@H](C)CC4)c1 ZINC000022388148 524105751 /nfs/dbraw/zinc/10/57/51/524105751.db2.gz UZRCLDRANBWGND-KRWDZBQOSA-N 0 0 440.612 7.266 50 0 IKAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2-c2cc(Cl)ccc2Cl)c1 ZINC000035911035 524107726 /nfs/dbraw/zinc/10/77/26/524107726.db2.gz PKJNSBVZWIEASR-UHFFFAOYSA-N 0 0 441.383 6.602 50 0 IKAARN Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035840142 524108649 /nfs/dbraw/zinc/10/86/49/524108649.db2.gz JHQXTFVVAHPKHU-UHFFFAOYSA-N 0 0 439.506 6.862 50 0 IKAARN COc1ccc(CNc2ncnc3scc(-c4ccc(Br)cc4)c32)cn1 ZINC000014808848 524108778 /nfs/dbraw/zinc/10/87/78/524108778.db2.gz GQTFMBYJGYTQDR-UHFFFAOYSA-N 0 0 427.327 5.137 50 0 IKAARN Cc1ccc(C)c(CSc2nnc3n2c2ccsc2c(=O)n3CCc2ccccc2)c1 ZINC000035529403 524108950 /nfs/dbraw/zinc/10/89/50/524108950.db2.gz CJCVAALKHHAHCS-UHFFFAOYSA-N 0 0 446.601 5.258 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012539673 524111103 /nfs/dbraw/zinc/11/11/03/524111103.db2.gz LDKLPIXRQCJNTJ-JOCHJYFZSA-N 0 0 427.523 5.357 50 0 IKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)nc2)c1 ZINC000035514248 524113714 /nfs/dbraw/zinc/11/37/14/524113714.db2.gz GZKHRVUBLQTTKB-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000012815128 524115410 /nfs/dbraw/zinc/11/54/10/524115410.db2.gz TXVJIPJORKKDPU-UHFFFAOYSA-N 0 0 438.887 5.200 50 0 IKAARN Cc1ccc(C)c(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)c1 ZINC000021657859 524119398 /nfs/dbraw/zinc/11/93/98/524119398.db2.gz UGRZUGYXDFVSHM-UHFFFAOYSA-N 0 0 448.588 5.936 50 0 IKAARN Cc1ccc(C)c(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccccc2Cl)c1 ZINC000035910189 524120052 /nfs/dbraw/zinc/12/00/52/524120052.db2.gz LSZJPOPNORDYOF-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)n2)c1 ZINC000035527210 524122914 /nfs/dbraw/zinc/12/29/14/524122914.db2.gz ZWRVDMHOKBYVHM-UHFFFAOYSA-N 0 0 439.471 5.268 50 0 IKAARN Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 ZINC000012909316 524125449 /nfs/dbraw/zinc/12/54/49/524125449.db2.gz YYYMCNFSCXQZHS-UHFFFAOYSA-N 0 0 449.605 5.230 50 0 IKAARN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000020624088 524125675 /nfs/dbraw/zinc/12/56/75/524125675.db2.gz GIAJDZFBAPFCBO-GOSISDBHSA-N 0 0 431.967 5.422 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)c1 ZINC000035847465 524125796 /nfs/dbraw/zinc/12/57/96/524125796.db2.gz QLISSTJAZQLQCN-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN Cc1cccc(-c2nnc(SCCC(=O)N[C@@H](C)c3ccccc3)n2Cc2ccco2)c1 ZINC000012922277 524126347 /nfs/dbraw/zinc/12/63/47/524126347.db2.gz FUCDMSSZIZIVSB-IBGZPJMESA-N 0 0 446.576 5.254 50 0 IKAARN Cc1cccc(-c2nnc(SCCC(=O)N[C@H](C)c3ccccc3)n2Cc2ccco2)c1 ZINC000012922273 524126449 /nfs/dbraw/zinc/12/64/49/524126449.db2.gz FUCDMSSZIZIVSB-LJQANCHMSA-N 0 0 446.576 5.254 50 0 IKAARN COc1ccc(CSc2n[nH]c(-c3ccccc3OC(C)C)n2)cc1Br ZINC000012382820 524127325 /nfs/dbraw/zinc/12/73/25/524127325.db2.gz BBDUNGBJKSOOKJ-UHFFFAOYSA-N 0 0 434.359 5.322 50 0 IKAARN Cc1ccc(C)c(N2CCN([C@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)c1 ZINC000020988696 524127445 /nfs/dbraw/zinc/12/74/45/524127445.db2.gz ZIGQGNLCQOKZGV-VWLOTQADSA-N 0 0 442.538 5.404 50 0 IKAARN COc1ccc(CSc2nnc(S[C@H](C)C(=O)c3cc(C)ccc3C)s2)cc1 ZINC000022063175 524129363 /nfs/dbraw/zinc/12/93/63/524129363.db2.gz SELIGMUKWPBRMI-OAHLLOKOSA-N 0 0 430.620 5.819 50 0 IKAARN COc1cccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928004 524130626 /nfs/dbraw/zinc/13/06/26/524130626.db2.gz PBUBDVXZWCABCS-LOSJGSFVSA-N 0 0 426.516 5.085 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)c1OC ZINC000012714498 524136864 /nfs/dbraw/zinc/13/68/64/524136864.db2.gz FSPFKICKGZXTSP-XMMPIXPASA-N 0 0 430.479 5.112 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000018006506 524137845 /nfs/dbraw/zinc/13/78/45/524137845.db2.gz CVROOQMUHUVGDO-BGYRXZFFSA-N 0 0 434.609 5.048 50 0 IKAARN Cc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C(C)C)c1 ZINC000036049499 524139774 /nfs/dbraw/zinc/13/97/74/524139774.db2.gz LRUQRBKOFMOIKS-UHFFFAOYSA-N 0 0 432.568 5.069 50 0 IKAARN Cc1cccc(-n2c3nc(-c4ccc(O)cc4)cc(C(F)(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020615550 524140566 /nfs/dbraw/zinc/14/05/66/524140566.db2.gz SGEWCLFMPZMDTI-UHFFFAOYSA-N 0 0 429.423 5.143 50 0 IKAARN Cc1cccc(-n2nc(C(=O)NCc3ccccc3-c3ccccc3)nc2-c2ccco2)c1 ZINC000034911542 524146575 /nfs/dbraw/zinc/14/65/75/524146575.db2.gz DUCGMVCADHAOQE-UHFFFAOYSA-N 0 0 434.499 5.433 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)c1 ZINC000033010481 524151720 /nfs/dbraw/zinc/15/17/20/524151720.db2.gz GIKLYMBHGMDLSO-IBGZPJMESA-N 0 0 438.531 5.695 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)c1 ZINC000033010577 524151821 /nfs/dbraw/zinc/15/18/21/524151821.db2.gz GIADGFVVIZRMTI-IBGZPJMESA-N 0 0 438.531 5.695 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1 ZINC000021795514 524152451 /nfs/dbraw/zinc/15/24/51/524152451.db2.gz SXGLTDFZQUPLKU-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2-c2cccc(Cl)c2)c2ccccc2)c1 ZINC000012811176 524153700 /nfs/dbraw/zinc/15/37/00/524153700.db2.gz XRROKZQWYKDQCT-NRFANRHFSA-N 0 0 449.967 5.405 50 0 IKAARN Cc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000020617135 524155065 /nfs/dbraw/zinc/15/50/65/524155065.db2.gz OPZQWJKREDTXOF-COOPMVRXSA-N 0 0 433.895 5.075 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2-c2cccc(C)c2C)c2ccccc2)c1 ZINC000012800323 524156704 /nfs/dbraw/zinc/15/67/04/524156704.db2.gz QKXNLIOCEVAIJW-HSZRJFAPSA-N 0 0 443.576 5.368 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(Cn3nc(-n4cccc4)c4c3nc(C)cc4C)cc2)c1 ZINC000020992851 524158112 /nfs/dbraw/zinc/15/81/12/524158112.db2.gz PCDQDXPZUUCKSS-UHFFFAOYSA-N 0 0 449.558 5.756 50 0 IKAARN COc1cccc([C@H](Nc2nc(-c3cccs3)nc3ccccc32)c2nccn2C)c1 ZINC000017591109 524163395 /nfs/dbraw/zinc/16/33/95/524163395.db2.gz CUQXYKVTDKCCRR-NRFANRHFSA-N 0 0 427.533 5.302 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(C)n1Cc1cccs1 ZINC000012771517 524168584 /nfs/dbraw/zinc/16/85/84/524168584.db2.gz RTEVCTIFRFWQHL-UHFFFAOYSA-N 0 0 444.560 6.111 50 0 IKAARN COc1ccc(Cc2nnc(S[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)o2)cc1 ZINC000008862274 524168975 /nfs/dbraw/zinc/16/89/75/524168975.db2.gz CQMVAGHGWLVMJE-HSZRJFAPSA-N 0 0 445.544 5.450 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000021811157 524170391 /nfs/dbraw/zinc/17/03/91/524170391.db2.gz BVHUXMUJUMVRIX-HGDBAGAISA-N 0 0 439.943 5.002 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1OC ZINC000012196351 524187091 /nfs/dbraw/zinc/18/70/91/524187091.db2.gz OVQJWZVQCJAZKM-VGOFRKELSA-N 0 0 426.925 5.661 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(F)ccc2F)c1 ZINC000021888528 524188445 /nfs/dbraw/zinc/18/84/45/524188445.db2.gz WAHKXMUFYZEESW-DEOSSOPVSA-N 0 0 433.458 5.634 50 0 IKAARN COc1cccc([C@H]2[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928005 524189174 /nfs/dbraw/zinc/18/91/74/524189174.db2.gz PBUBDVXZWCABCS-RPBOFIJWSA-N 0 0 426.516 5.085 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)c1OC ZINC000012432145 524189511 /nfs/dbraw/zinc/18/95/11/524189511.db2.gz WUHBTFNXUOCBFP-VWLOTQADSA-N 0 0 426.516 5.281 50 0 IKAARN COc1ccc(Cl)cc1-c1nn(CN(C)[C@H](C)c2nc3ccccc3s2)c(=S)[nH]1 ZINC000012822401 524190468 /nfs/dbraw/zinc/19/04/68/524190468.db2.gz LJUFABUCHBDCRP-GFCCVEGCSA-N 0 0 446.001 5.530 50 0 IKAARN COc1ccc(Cl)cc1-c1nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c(=S)[nH]1 ZINC000012822399 524191698 /nfs/dbraw/zinc/19/16/98/524191698.db2.gz LJUFABUCHBDCRP-LBPRGKRZSA-N 0 0 446.001 5.530 50 0 IKAARN COc1ccc(Cl)cc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000020854345 524197316 /nfs/dbraw/zinc/19/73/16/524197316.db2.gz XBKJMXJIDYTGOZ-HXUWFJFHSA-N 0 0 437.858 5.057 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000022078922 524200191 /nfs/dbraw/zinc/20/01/91/524200191.db2.gz GWPMWYQMVMNSJB-UHFFFAOYSA-N 0 0 436.939 6.151 50 0 IKAARN C[C@@H]1CCCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCC[C@@H](C)C4)cc3)cc2)C1 ZINC000000640643 524204064 /nfs/dbraw/zinc/20/40/64/524204064.db2.gz MIACRZOCWZWERW-NHCUHLMSSA-N 0 0 448.611 5.805 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)c1 ZINC000021784327 524210123 /nfs/dbraw/zinc/21/01/23/524210123.db2.gz PIVVUKGRXHXBKF-QGZVFWFLSA-N 0 0 425.941 5.219 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000033009234 524215173 /nfs/dbraw/zinc/21/51/73/524215173.db2.gz PLUISDUFNNSFJY-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)c1 ZINC000012784627 524219520 /nfs/dbraw/zinc/21/95/20/524219520.db2.gz KXZMKMRSXBNTQP-UHFFFAOYSA-N 0 0 428.561 5.289 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(C)c1 ZINC000012772991 524220142 /nfs/dbraw/zinc/22/01/42/524220142.db2.gz YAUAKZYNXCGYSB-UHFFFAOYSA-N 0 0 428.561 5.289 50 0 IKAARN Cc1cc(C)c(C(=O)COC(=O)c2cc(Br)c(Br)s2)cc1C ZINC000012540529 524220422 /nfs/dbraw/zinc/22/04/22/524220422.db2.gz INEFJVNCFCONBN-UHFFFAOYSA-N 0 0 446.160 5.238 50 0 IKAARN Cc1cc(C)c(C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)o1 ZINC000012479054 524222474 /nfs/dbraw/zinc/22/24/74/524222474.db2.gz YCASYUVWVHHQRJ-UHFFFAOYSA-N 0 0 436.596 5.010 50 0 IKAARN Cc1ccc(C)n1C1CCN(C(=O)c2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000065475613 524224890 /nfs/dbraw/zinc/22/48/90/524224890.db2.gz DHKHMPDUBMIRBL-UHFFFAOYSA-N 0 0 429.973 5.271 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000020560810 524229294 /nfs/dbraw/zinc/22/92/94/524229294.db2.gz AQDYPGMXOBYTHY-OAQYLSRUSA-N 0 0 438.886 5.214 50 0 IKAARN Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020152211 524230885 /nfs/dbraw/zinc/23/08/85/524230885.db2.gz XYCURWWSXZEKIJ-UHFFFAOYSA-N 0 0 446.403 6.145 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]3(C)c2ccc(Br)cc2)cc1 ZINC000248113909 524234703 /nfs/dbraw/zinc/23/47/03/524234703.db2.gz UJBQHSAHUNFKMK-LADGPHEKSA-N 0 0 433.349 6.174 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062249 524236672 /nfs/dbraw/zinc/23/66/72/524236672.db2.gz OWRTYYRMILUGEB-IBGZPJMESA-N 0 0 437.902 5.923 50 0 IKAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387292 524238974 /nfs/dbraw/zinc/23/89/74/524238974.db2.gz WRLONJFKHZNMEH-MNNSJKJDSA-N 0 0 446.635 5.694 50 0 IKAARN C[C@H]1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc2S1 ZINC000012682238 524242375 /nfs/dbraw/zinc/24/23/75/524242375.db2.gz HKWKQWQUKBAVOP-INIZCTEOSA-N 0 0 436.606 5.154 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728643 524244943 /nfs/dbraw/zinc/24/49/43/524244943.db2.gz RVKHRCUOFINIIB-ZDSQJECRSA-N 0 0 428.557 5.523 50 0 IKAARN COc1ccc(Cl)cc1N[C@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000020852477 524246678 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ZINC000012273857 524360933 /nfs/dbraw/zinc/36/09/33/524360933.db2.gz ARPJBSXEHREZPG-UHFFFAOYSA-N 0 0 426.847 5.667 50 0 IKAARN COc1ccccc1C(=O)Nc1cccc2c(NC(=O)c3ccccc3OC)cccc12 ZINC000014641801 524361382 /nfs/dbraw/zinc/36/13/82/524361382.db2.gz UKHLKZXMIXOOHO-UHFFFAOYSA-N 0 0 426.472 5.362 50 0 IKAARN COc1ccccc1C(=O)Oc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035689976 524363045 /nfs/dbraw/zinc/36/30/45/524363045.db2.gz PFFOCSWQZXVOMC-UHFFFAOYSA-N 0 0 439.298 6.074 50 0 IKAARN COc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000023055074 524370054 /nfs/dbraw/zinc/37/00/54/524370054.db2.gz VXNCHDFMZKBZDI-UHFFFAOYSA-N 0 0 434.517 5.054 50 0 IKAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2F)C(=O)CCC2CCCC2)C1 ZINC000035835446 524373471 /nfs/dbraw/zinc/37/34/71/524373471.db2.gz ZGPQBQATPQWITO-NRFANRHFSA-N 0 0 438.543 5.327 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4ccc(F)cc4F)c3)C2=O)c1 ZINC000034735582 524383475 /nfs/dbraw/zinc/38/34/75/524383475.db2.gz AAUNVZBNIUDZNW-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000034735263 524384612 /nfs/dbraw/zinc/38/46/12/524384612.db2.gz JKPWICDWMUOECR-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)C2=O)c1 ZINC000035180961 524393723 /nfs/dbraw/zinc/39/37/23/524393723.db2.gz MPGBZXONWYZSPA-NRFANRHFSA-N 0 0 427.548 5.318 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3cccc(C)c3)C2=O)c1 ZINC000034735898 524394125 /nfs/dbraw/zinc/39/41/25/524394125.db2.gz LHABVFVXSSATNG-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)[C@@H]1C ZINC000020735222 524404864 /nfs/dbraw/zinc/40/48/64/524404864.db2.gz PNSVTVRSXPBUIC-SSMPTECVSA-N 0 0 440.996 5.980 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)[C@@H]1C ZINC000020734917 524405178 /nfs/dbraw/zinc/40/51/78/524405178.db2.gz CYHBOQZJKSXEGD-RBDRBDEXSA-N 0 0 440.996 5.980 50 0 IKAARN COc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)C2CCCC2)c1 ZINC000034739708 524406578 /nfs/dbraw/zinc/40/65/78/524406578.db2.gz LUPPXKHEBFVVCC-UHFFFAOYSA-N 0 0 441.959 5.310 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035928669 524411967 /nfs/dbraw/zinc/41/19/67/524411967.db2.gz MQRVVSZYXNBUOH-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cc(F)cc(F)c2)C2CC2)o1 ZINC000035844833 524414045 /nfs/dbraw/zinc/41/40/45/524414045.db2.gz DNVGKMPJKKPLQC-UHFFFAOYSA-N 0 0 438.518 5.102 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)NC(C)(C)C)o1 ZINC000035809433 524414822 /nfs/dbraw/zinc/41/48/22/524414822.db2.gz IEIORAMIDQFECI-UHFFFAOYSA-N 0 0 441.616 5.016 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cc(F)ccc2F)C(C)C)o1 ZINC000035844769 524414919 /nfs/dbraw/zinc/41/49/19/524414919.db2.gz FTNOTCFBEALLOW-UHFFFAOYSA-N 0 0 440.534 5.348 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccc(C)cc2)C(C)C)o1 ZINC000035167784 524416021 /nfs/dbraw/zinc/41/60/21/524416021.db2.gz PSISCFWUFSNUAR-UHFFFAOYSA-N 0 0 432.564 5.019 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)c2ccco2)s1 ZINC000035808149 524417319 /nfs/dbraw/zinc/41/73/19/524417319.db2.gz JZXARQSZZANJCS-UHFFFAOYSA-N 0 0 442.556 5.116 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)c1 ZINC000021539843 524428093 /nfs/dbraw/zinc/42/80/93/524428093.db2.gz RWGOAVPDIUGWLY-DEOSSOPVSA-N 0 0 433.621 6.779 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)c1 ZINC000012566697 524431136 /nfs/dbraw/zinc/43/11/36/524431136.db2.gz AEQZCCOSPBXKEY-VWLOTQADSA-N 0 0 433.479 5.329 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC3)c1 ZINC000011973550 524431166 /nfs/dbraw/zinc/43/11/66/524431166.db2.gz XIYDPEKXCNZMKE-NRFANRHFSA-N 0 0 444.497 5.132 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000020508740 524432700 /nfs/dbraw/zinc/43/27/00/524432700.db2.gz KMMIROWBRDBNMQ-JWQCQUIFSA-N 0 0 444.600 6.227 50 0 IKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c3ccccc3[nH]c2-c2ccc(C)cc2)o1 ZINC000009667301 524433478 /nfs/dbraw/zinc/43/34/78/524433478.db2.gz VPDIXFWGAPITQU-MUUNZHRXSA-N 0 0 432.523 6.790 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4cccc(Cl)c4)c3)C2=O)cc1 ZINC000035180912 524445993 /nfs/dbraw/zinc/44/59/93/524445993.db2.gz KGJXZZRDIUJGNW-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4cccc([C@H](C)O)c4)c3)C2=O)cc1 ZINC000035180920 524446909 /nfs/dbraw/zinc/44/69/09/524446909.db2.gz SCIRHDVCBYOTIH-FQEVSTJZSA-N 0 0 443.547 5.133 50 0 IKAARN Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=N)NC2=O)c1 ZINC000015800391 524451473 /nfs/dbraw/zinc/45/14/73/524451473.db2.gz OJDGKHOAYVRRKV-MFOYZWKCSA-N 0 0 437.348 5.207 50 0 IKAARN Cc1cccc(CSCc2ccc(-c3nc(-c4ccc(Br)cc4)no3)o2)c1 ZINC000033021792 524460898 /nfs/dbraw/zinc/46/08/98/524460898.db2.gz HLCHESMUYIZMDI-UHFFFAOYSA-N 0 0 441.350 6.501 50 0 IKAARN Cc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3C[C@H](C)c2ccccc2)c1 ZINC000035529578 524464973 /nfs/dbraw/zinc/46/49/73/524464973.db2.gz HZEBEHLPYBZQKZ-KRWDZBQOSA-N 0 0 446.601 5.510 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)cc1Cl ZINC000012372921 524484831 /nfs/dbraw/zinc/48/48/31/524484831.db2.gz IVLHTMVMORYYFN-CYBMUJFWSA-N 0 0 441.380 5.335 50 0 IKAARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)n2)n1 ZINC000033644540 524486833 /nfs/dbraw/zinc/48/68/33/524486833.db2.gz PKIFXHNATLBIBA-UHFFFAOYSA-N 0 0 432.911 5.891 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CCCCCC3)CC2)c1 ZINC000021159837 524493359 /nfs/dbraw/zinc/49/33/59/524493359.db2.gz OIMLSCBTUYVXBP-UHFFFAOYSA-N 0 0 444.623 5.448 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1F ZINC000033068666 524517974 /nfs/dbraw/zinc/51/79/74/524517974.db2.gz SLLQJCHOVLNTNU-UHFFFAOYSA-N 0 0 433.508 5.099 50 0 IKAARN COc1ccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)cc1Cl ZINC000015721209 524518212 /nfs/dbraw/zinc/51/82/12/524518212.db2.gz TYCTZFBBLXIZPQ-SFHVURJKSA-N 0 0 426.925 5.136 50 0 IKAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3cc(C)ccc3C)c2c1=O ZINC000035400359 524522789 /nfs/dbraw/zinc/52/27/89/524522789.db2.gz OCFRWJMWPSNJTD-UHFFFAOYSA-N 0 0 441.506 5.212 50 0 IKAARN Cc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1C ZINC000012628817 524524211 /nfs/dbraw/zinc/52/42/11/524524211.db2.gz BPERGHSGRYCNDQ-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000021536364 524525051 /nfs/dbraw/zinc/52/50/51/524525051.db2.gz ADURCTHKQYLXID-GDLZYMKVSA-N 0 0 449.598 6.724 50 0 IKAARN COc1ccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OC)c1 ZINC000023136566 524525177 /nfs/dbraw/zinc/52/51/77/524525177.db2.gz SSXXSXOIQUVSCJ-UHFFFAOYSA-N 0 0 437.443 5.104 50 0 IKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1C ZINC000020442499 524525199 /nfs/dbraw/zinc/52/51/99/524525199.db2.gz DIXRTRKWIAHQDY-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)cc1 ZINC000021536808 524525850 /nfs/dbraw/zinc/52/58/50/524525850.db2.gz RBHFJYBTIYFFTF-AREMUKBSSA-N 0 0 441.962 6.254 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000021536553 524526146 /nfs/dbraw/zinc/52/61/46/524526146.db2.gz SQIKRWFSMAKPCJ-SANMLTNESA-N 0 0 443.497 5.879 50 0 IKAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC3)c1 ZINC000034927516 524531269 /nfs/dbraw/zinc/53/12/69/524531269.db2.gz IQNJRNSQMOSHTC-UHFFFAOYSA-N 0 0 429.973 5.061 50 0 IKAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccc(F)cc4c32)cc1 ZINC000020996431 524532740 /nfs/dbraw/zinc/53/27/40/524532740.db2.gz PFNIXTGYUQOWAE-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc4ccccc43)cc2)c1 ZINC000035910318 524533224 /nfs/dbraw/zinc/53/32/24/524533224.db2.gz ZFWXHOUBEIAOHB-HHHXNRCGSA-N 0 0 438.552 6.179 50 0 IKAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2cccc4ccccc42)CC3)c1 ZINC000034927503 524533347 /nfs/dbraw/zinc/53/33/47/524533347.db2.gz LQXUJNPSHNUPNY-UHFFFAOYSA-N 0 0 431.561 5.252 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000035925121 524535405 /nfs/dbraw/zinc/53/54/05/524535405.db2.gz RYEHMKYGYPXRDS-QHCPKHFHSA-N 0 0 438.936 5.380 50 0 IKAARN Cc1ccc(CNC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033008383 524535622 /nfs/dbraw/zinc/53/56/22/524535622.db2.gz UPRQYSWKQBZATE-UHFFFAOYSA-N 0 0 430.533 5.487 50 0 IKAARN Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3ccc(C(C)C)cc3)C2=O)c1C ZINC000015412499 524536150 /nfs/dbraw/zinc/53/61/50/524536150.db2.gz YLDLORDMOIHMKR-SANMLTNESA-N 0 0 430.523 5.687 50 0 IKAARN Cc1cc(C)n(Cc2cccc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)c2)n1 ZINC000020616117 524540740 /nfs/dbraw/zinc/54/07/40/524540740.db2.gz QGGIURPACRGORF-UHFFFAOYSA-N 0 0 441.560 5.509 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c(C)c1 ZINC000012704830 524543558 /nfs/dbraw/zinc/54/35/58/524543558.db2.gz HPAWBJBPGIMJQJ-HXUWFJFHSA-N 0 0 428.532 5.382 50 0 IKAARN Cc1cccc(N2CCN(C(=O)Cn3c(-c4cccs4)cc4ccccc43)C[C@@H]2C)c1 ZINC000020532000 524547665 /nfs/dbraw/zinc/54/76/65/524547665.db2.gz QVFXRANSKBFMPQ-FQEVSTJZSA-N 0 0 429.589 5.416 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000015725247 524555158 /nfs/dbraw/zinc/55/51/58/524555158.db2.gz FPQHBHIADSOFPS-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1OC ZINC000021879798 524557129 /nfs/dbraw/zinc/55/71/29/524557129.db2.gz ZPHLUONBOIKABL-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000021893885 524558985 /nfs/dbraw/zinc/55/89/85/524558985.db2.gz CJXCOXJCVHCWLH-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000021892320 524559159 /nfs/dbraw/zinc/55/91/59/524559159.db2.gz CDLLJAFBENXMRW-RUZDIDTESA-N 0 0 445.469 5.901 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)cc1 ZINC000021893889 524559458 /nfs/dbraw/zinc/55/94/58/524559458.db2.gz CJXCOXJCVHCWLH-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN Cc1cccc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c1C ZINC000033271017 524586718 /nfs/dbraw/zinc/58/67/18/524586718.db2.gz LKVJFRHKIHJCDH-UHFFFAOYSA-N 0 0 435.553 5.043 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Oc2ccc(Cl)cc2Br)c2ccccc2)cc1 ZINC000012603207 524588193 /nfs/dbraw/zinc/58/81/93/524588193.db2.gz VESGORDZBBIAQP-FQEVSTJZSA-N 0 0 446.728 5.870 50 0 IKAARN Cc1cccc(NC(=O)CN(C)Cc2csc(-c3cccc(Br)c3)n2)c1C ZINC000012930105 524588624 /nfs/dbraw/zinc/58/86/24/524588624.db2.gz YLZKVPKPUFCSPP-UHFFFAOYSA-N 0 0 444.398 5.260 50 0 IKAARN Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccco2)CC3)c1 ZINC000012658084 524599045 /nfs/dbraw/zinc/59/90/45/524599045.db2.gz SVLPDCYLLOANRV-OBGWFSINSA-N 0 0 438.483 5.419 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1C ZINC000000863705 524604075 /nfs/dbraw/zinc/60/40/75/524604075.db2.gz FISWWJMBSFOGJI-UHFFFAOYSA-N 0 0 428.561 5.206 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888784 524612095 /nfs/dbraw/zinc/61/20/95/524612095.db2.gz MRRZZIAKKCOKHA-RUZDIDTESA-N 0 0 427.479 5.762 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000033265373 524612272 /nfs/dbraw/zinc/61/22/72/524612272.db2.gz FDEHIBKZQVSSSP-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778733 524616715 /nfs/dbraw/zinc/61/67/15/524616715.db2.gz UNKUOOQKYFEUMP-FQEVSTJZSA-N 0 0 434.883 5.310 50 0 IKAARN COc1ccccc1NC(=O)Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 ZINC000002321454 524617153 /nfs/dbraw/zinc/61/71/53/524617153.db2.gz AGOQHEHSNIWXSD-UHFFFAOYSA-N 0 0 438.553 5.817 50 0 IKAARN COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020745146 524623740 /nfs/dbraw/zinc/62/37/40/524623740.db2.gz DEUUJCSICQJHPN-RUZDIDTESA-N 0 0 440.543 5.781 50 0 IKAARN Cc1cccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccc(F)cc2)CCCC4)c1C ZINC000021048439 524625126 /nfs/dbraw/zinc/62/51/26/524625126.db2.gz VCSHASKXELWZAO-DEOSSOPVSA-N 0 0 434.580 6.562 50 0 IKAARN Cc1ccc(COc2cc(C(=O)NCCc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000021094496 524625302 /nfs/dbraw/zinc/62/53/02/524625302.db2.gz ULTCEANRQFIMGY-UHFFFAOYSA-N 0 0 430.935 5.748 50 0 IKAARN COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000016447444 524625671 /nfs/dbraw/zinc/62/56/71/524625671.db2.gz WUQWSNGUZZQYBQ-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)c1C ZINC000021893815 524628299 /nfs/dbraw/zinc/62/82/99/524628299.db2.gz WVJHSLQYFSISIA-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)c1C ZINC000021893558 524628765 /nfs/dbraw/zinc/62/87/65/524628765.db2.gz VVOPEWPYTLTTSI-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)c1C ZINC000021536465 524628851 /nfs/dbraw/zinc/62/88/51/524628851.db2.gz IJAXMYSRUNZREU-AREMUKBSSA-N 0 0 443.497 6.509 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)c(OC)c1 ZINC000016319873 524635862 /nfs/dbraw/zinc/63/58/62/524635862.db2.gz DNFUKKHCOWLSFC-UHFFFAOYSA-N 0 0 444.531 5.407 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1OC ZINC000033025260 524642627 /nfs/dbraw/zinc/64/26/27/524642627.db2.gz MAXOWGDMSQZFPT-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1C ZINC000021795542 524642691 /nfs/dbraw/zinc/64/26/91/524642691.db2.gz VQCOLMVTRNHHHB-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)c1C ZINC000033068287 524643371 /nfs/dbraw/zinc/64/33/71/524643371.db2.gz HHTZBNBOTIXPLG-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN COc1ccccc1N[C@H](c1c(C)[nH]c2ccc(NC(=O)C(C)(C)C)cc21)c1ccccn1 ZINC000021659669 524648584 /nfs/dbraw/zinc/64/85/84/524648584.db2.gz NVXGOCWXSQTEBR-VWLOTQADSA-N 0 0 442.563 6.066 50 0 IKAARN Cc1ccc(CSc2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3s2)cc1 ZINC000020895237 524648772 /nfs/dbraw/zinc/64/87/72/524648772.db2.gz WOJVJGYVLPULHX-UHFFFAOYSA-N 0 0 434.542 5.878 50 0 IKAARN Cc1ccc(CSc2nnc3n2c2ccsc2c(=O)n3C[C@H](C)c2ccccc2)cc1 ZINC000035529606 524652433 /nfs/dbraw/zinc/65/24/33/524652433.db2.gz CJMKRSNDPYBHOC-KRWDZBQOSA-N 0 0 446.601 5.510 50 0 IKAARN COc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)cc1OC ZINC000021053375 524654044 /nfs/dbraw/zinc/65/40/44/524654044.db2.gz AUUHJDILJZGSIV-UHFFFAOYSA-N 0 0 434.883 5.296 50 0 IKAARN COc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCCC2)cc1OC ZINC000020212537 524663204 /nfs/dbraw/zinc/66/32/04/524663204.db2.gz BLSUFHKIAPAPNR-UHFFFAOYSA-N 0 0 437.609 6.107 50 0 IKAARN COc1ccccc1Oc1c(CN(CC(C)C)C(=O)C2CC2)c(-c2ccccc2)nn1C ZINC000035980450 524694506 /nfs/dbraw/zinc/69/45/06/524694506.db2.gz QNUVAMBVZKUCEZ-UHFFFAOYSA-N 0 0 433.552 5.283 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)C2CCC2)C2CC2)c(-c2ccccc2)nn1C ZINC000035980515 524694936 /nfs/dbraw/zinc/69/49/36/524694936.db2.gz DZYATPMOYMZGJB-UHFFFAOYSA-N 0 0 431.536 5.179 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(Br)cc3)s2)c1C ZINC000012569626 524699494 /nfs/dbraw/zinc/69/94/94/524699494.db2.gz DUABRBRJFHBXSM-UHFFFAOYSA-N 0 0 449.399 5.392 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)s2)c1C ZINC000021844613 524700603 /nfs/dbraw/zinc/70/06/03/524700603.db2.gz OVFMAEMXELFLKB-MRXNPFEDSA-N 0 0 430.624 5.416 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1Cl ZINC000012870156 524702743 /nfs/dbraw/zinc/70/27/43/524702743.db2.gz SOVIUYFYJZVTGH-QGZVFWFLSA-N 0 0 435.351 5.239 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1Cl ZINC000012919357 524702837 /nfs/dbraw/zinc/70/28/37/524702837.db2.gz LKBVLTOBSAIDQS-FQEVSTJZSA-N 0 0 437.417 6.011 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1Cl ZINC000012749007 524703174 /nfs/dbraw/zinc/70/31/74/524703174.db2.gz FSXCMQSFRZMTRF-QFIPXVFZSA-N 0 0 431.388 5.950 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1Cl ZINC000012749011 524703389 /nfs/dbraw/zinc/70/33/89/524703389.db2.gz FSXCMQSFRZMTRF-JOCHJYFZSA-N 0 0 431.388 5.950 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1Cl ZINC000012870161 524703524 /nfs/dbraw/zinc/70/35/24/524703524.db2.gz SOVIUYFYJZVTGH-KRWDZBQOSA-N 0 0 435.351 5.239 50 0 IKAARN C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000023410496 524708138 /nfs/dbraw/zinc/70/81/38/524708138.db2.gz URIUZPZKVODFIY-QUGAMOGWSA-N 0 0 437.499 5.241 50 0 IKAARN COc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn32)cc1 ZINC000021150371 524714017 /nfs/dbraw/zinc/71/40/17/524714017.db2.gz MDQCSZOOGWNOFS-UHFFFAOYSA-N 0 0 432.833 6.129 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 ZINC000018247624 524715937 /nfs/dbraw/zinc/71/59/37/524715937.db2.gz RLDHEJRFLYLOHX-CSMYWGQOSA-N 0 0 432.303 5.138 50 0 IKAARN COc1ccc(Nc2nc(C(=O)NCCc3c[nH]c4ccccc34)cc3occc32)cc1 ZINC000035426566 524717732 /nfs/dbraw/zinc/71/77/32/524717732.db2.gz ZRHBROBATCZPFF-UHFFFAOYSA-N 0 0 426.476 5.034 50 0 IKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)cc1 ZINC000021798098 524721084 /nfs/dbraw/zinc/72/10/84/524721084.db2.gz IEMCHWNEXBHXAI-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN COc1ccc(Nc2nc3c(ncn3-c3ccc(OC)c(Cl)c3)c(C)n2)cc1Cl ZINC000021777035 524721363 /nfs/dbraw/zinc/72/13/63/524721363.db2.gz LDLMIEUQIMXDOO-UHFFFAOYSA-N 0 0 430.295 5.192 50 0 IKAARN Cc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)c1 ZINC000035671776 524721335 /nfs/dbraw/zinc/72/13/35/524721335.db2.gz PSNGQIPJENXACI-UHFFFAOYSA-N 0 0 443.528 5.388 50 0 IKAARN COc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012419534 524722359 /nfs/dbraw/zinc/72/23/59/524722359.db2.gz IEXARFGCFLRIIT-UHFFFAOYSA-N 0 0 430.869 5.173 50 0 IKAARN Cc1cccc(OCCCC(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c1 ZINC000012749978 524732509 /nfs/dbraw/zinc/73/25/09/524732509.db2.gz FNKCLQYQPQQMTE-UHFFFAOYSA-N 0 0 432.549 5.317 50 0 IKAARN Cc1cccc(OCCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1C ZINC000035146410 524735387 /nfs/dbraw/zinc/73/53/87/524735387.db2.gz SWLYPZHNLMBMCQ-OAQYLSRUSA-N 0 0 433.596 5.627 50 0 IKAARN C[C@@H]1CN(C(=O)/C=C\c2ccccc2Cl)[C@H](C)CN1C(=O)/C=C\c1ccccc1Cl ZINC000035189738 524737392 /nfs/dbraw/zinc/73/73/92/524737392.db2.gz PNFOVWBPCOGLDD-NQSJPCFUSA-N 0 0 443.374 5.168 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O ZINC000020467113 524739302 /nfs/dbraw/zinc/73/93/02/524739302.db2.gz HXVKWEBQIXEDLV-UHFFFAOYSA-N 0 0 425.941 5.300 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2nc(N3CCC[C@H](C)C3)sc21 ZINC000035533416 524745656 /nfs/dbraw/zinc/74/56/56/524745656.db2.gz WITJRVGFUSFLCH-LBPRGKRZSA-N 0 0 448.017 5.015 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021536385 524748467 /nfs/dbraw/zinc/74/84/67/524748467.db2.gz ZKOFJJHHVFZMKD-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021536388 524748574 /nfs/dbraw/zinc/74/85/74/524748574.db2.gz ZKOFJJHHVFZMKD-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012539552 524751373 /nfs/dbraw/zinc/75/13/73/524751373.db2.gz WCAZKHLPXSHXMX-NRFANRHFSA-N 0 0 443.522 5.079 50 0 IKAARN COc1ccccc1[C@@H]1CCCN1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012453765 524752980 /nfs/dbraw/zinc/75/29/80/524752980.db2.gz JSUYQPIJWVUBEY-IBGZPJMESA-N 0 0 426.900 5.378 50 0 IKAARN COc1ccccc1[C@@H]1c2sc3c(c2CCN1C(=O)NCc1ccccc1)CCCC3 ZINC000021048770 524763277 /nfs/dbraw/zinc/76/32/77/524763277.db2.gz ZICHCPSCCRDUBK-XMMPIXPASA-N 0 0 432.589 5.493 50 0 IKAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1csc(C(C)=O)c1 ZINC000012387415 524764670 /nfs/dbraw/zinc/76/46/70/524764670.db2.gz WQAZKFAESABZSL-XMMPIXPASA-N 0 0 430.529 5.229 50 0 IKAARN Cc1cccc(OCc2ccc(C(=O)Nc3cccc(-c4cnc5ccccc5n4)c3)cc2)c1 ZINC000001868241 524765546 /nfs/dbraw/zinc/76/55/46/524765546.db2.gz DCKWZRBEYYCDHM-UHFFFAOYSA-N 0 0 445.522 6.437 50 0 IKAARN Cc1ccc(Cn2c(CCCC(=O)Nc3ccc(C(C)C)cc3)nc3cccnc32)cc1 ZINC000033072697 524767127 /nfs/dbraw/zinc/76/71/27/524767127.db2.gz HRMGDJWLVYSNPK-UHFFFAOYSA-N 0 0 426.564 5.873 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000015910963 524769892 /nfs/dbraw/zinc/76/98/92/524769892.db2.gz LAHYSFGRZFXKRA-MHZLTWQESA-N 0 0 445.566 6.107 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000021159437 524769933 /nfs/dbraw/zinc/76/99/33/524769933.db2.gz WREZRCYBWJXEJV-XUZZJYLKSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000013632340 524773872 /nfs/dbraw/zinc/77/38/72/524773872.db2.gz RFBCSEABVNITBU-IBGZPJMESA-N 0 0 430.548 5.951 50 0 IKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)c2ccccc2)cc1 ZINC000033036200 524774864 /nfs/dbraw/zinc/77/48/64/524774864.db2.gz WGXMDVSDEDIHPL-UHFFFAOYSA-N 0 0 434.952 5.692 50 0 IKAARN Cc1cccc(Oc2c(CN(C(=O)c3cccs3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980725 524782997 /nfs/dbraw/zinc/78/29/97/524782997.db2.gz MQDLKTBIVNURSY-UHFFFAOYSA-N 0 0 443.572 6.054 50 0 IKAARN Cc1cccc(Oc2c(CN(C(=O)c3ccco3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980705 524783644 /nfs/dbraw/zinc/78/36/44/524783644.db2.gz WOLWSZVBEHZFHY-UHFFFAOYSA-N 0 0 429.520 5.832 50 0 IKAARN Cc1ccc(F)c(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023458303 524783951 /nfs/dbraw/zinc/78/39/51/524783951.db2.gz YDBPXBDSOJUHRK-UHFFFAOYSA-N 0 0 431.486 5.767 50 0 IKAARN Cc1cccc(Oc2ccccc2N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000024829070 524788842 /nfs/dbraw/zinc/78/88/42/524788842.db2.gz IRAFOLKUMMJQPR-FQEVSTJZSA-N 0 0 431.536 5.063 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(CC(C)C)C(=O)c3ccccc3Cl)no2)c1 ZINC000036012153 524790615 /nfs/dbraw/zinc/79/06/15/524790615.db2.gz WLYKCVBKEFMBFW-UHFFFAOYSA-N 0 0 428.916 5.311 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)c1 ZINC000020604981 524792391 /nfs/dbraw/zinc/79/23/91/524792391.db2.gz LPCPEXTZXLXNSU-UHFFFAOYSA-N 0 0 431.389 5.571 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)Cc3coc4cc5c(cc34)CCC5)n2)c1 ZINC000033374364 524793918 /nfs/dbraw/zinc/79/39/18/524793918.db2.gz RNSXIGAXGGXVLJ-UHFFFAOYSA-N 0 0 434.517 5.243 50 0 IKAARN COc1ccc(OC)c(-c2nc(CN(C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)c1 ZINC000012301931 524796569 /nfs/dbraw/zinc/79/65/69/524796569.db2.gz WCZGUZCOOOVXIG-UHFFFAOYSA-N 0 0 446.551 5.102 50 0 IKAARN C[C@H](Cn1cnc2c3cc(F)ccc3n(Cc3ccc(F)cc3)c2c1=O)c1ccccc1 ZINC000035400520 524796630 /nfs/dbraw/zinc/79/66/30/524796630.db2.gz DNBWRUPWHPCAHE-QGZVFWFLSA-N 0 0 429.470 5.481 50 0 IKAARN C[C@H](Cn1cnc2c3cc(F)ccc3n(Cc3cccc(Cl)c3)c2c1=O)c1ccccc1 ZINC000035400496 524798123 /nfs/dbraw/zinc/79/81/23/524798123.db2.gz GUYOVCCYEZNPJW-QGZVFWFLSA-N 0 0 445.925 5.996 50 0 IKAARN COc1ccc(OC)c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(OC)c(Cl)c2)c1 ZINC000020662554 524800670 /nfs/dbraw/zinc/80/06/70/524800670.db2.gz IAHUJNHUPYFLGW-MDWZMJQESA-N 0 0 448.906 5.235 50 0 IKAARN C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000020605996 524804533 /nfs/dbraw/zinc/80/45/33/524804533.db2.gz ZECJCSVKLYBNRB-GFCCVEGCSA-N 0 0 435.471 5.478 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)/C=C/c4ccccc4)ccc3c2C)c1 ZINC000015390612 524810896 /nfs/dbraw/zinc/81/08/96/524810896.db2.gz QYRFOBCYBOAYSX-NTEUORMPSA-N 0 0 441.483 5.641 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 ZINC000033288723 524811378 /nfs/dbraw/zinc/81/13/78/524811378.db2.gz CCQUHSWUDMIDGO-FPOVZHCZSA-N 0 0 432.593 5.030 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035928033 524813041 /nfs/dbraw/zinc/81/30/41/524813041.db2.gz YDPYIMQEKSBEIB-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN COc1ccccc1[C@H]1CCN(Cc2cccn2-c2nccs2)c2ccccc2S1 ZINC000012242771 524815600 /nfs/dbraw/zinc/81/56/00/524815600.db2.gz RNJCEJNHPSKONB-JOCHJYFZSA-N 0 0 433.602 6.186 50 0 IKAARN COc1ccccc1[C@H]1c2sc3c(c2CCN1C(=O)Nc1cccc(F)c1)CCCC3 ZINC000021048880 524819107 /nfs/dbraw/zinc/81/91/07/524819107.db2.gz RNOMKDUUPDTURZ-QHCPKHFHSA-N 0 0 436.552 5.954 50 0 IKAARN COc1ccccc1[C@H]1c2sc3c(c2CCN1C(=O)NCCc1ccccc1)CCCC3 ZINC000021048799 524819200 /nfs/dbraw/zinc/81/92/00/524819200.db2.gz PIZPHQBCSCJLFD-VWLOTQADSA-N 0 0 446.616 5.535 50 0 IKAARN Cc1cccc([C@@H]2CCCN(C(=O)c3cc(COc4ccc5ncccc5c4)on3)C2)c1 ZINC000012308057 524841768 /nfs/dbraw/zinc/84/17/68/524841768.db2.gz WHCNNNRHEZRREL-OAQYLSRUSA-N 0 0 427.504 5.130 50 0 IKAARN Cc1cccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)c1 ZINC000021523658 524855657 /nfs/dbraw/zinc/85/56/57/524855657.db2.gz HCUUPLZLJFEHNN-QHCPKHFHSA-N 0 0 441.560 5.029 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000021893267 524856119 /nfs/dbraw/zinc/85/61/19/524856119.db2.gz RMTIDJPRMLWFIQ-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2Cl)c1 ZINC000021536694 524856379 /nfs/dbraw/zinc/85/63/79/524856379.db2.gz KPAPOGRSZLAVDK-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)c2ccco2)CCCC4)c1 ZINC000033115698 524858207 /nfs/dbraw/zinc/85/82/07/524858207.db2.gz RIZXERBSZQNIPW-XMMPIXPASA-N 0 0 428.557 6.064 50 0 IKAARN Cc1ccc(F)cc1NC(=O)N1CCN(c2cccc3nc(C(F)(F)F)ccc32)CC1 ZINC000001029489 524860734 /nfs/dbraw/zinc/86/07/34/524860734.db2.gz QXFUXXMBQAUQHT-UHFFFAOYSA-N 0 0 432.421 5.055 50 0 IKAARN Cc1ccc(N(C(=O)c2cc3c(s2)CCCC3)C(=O)c2cc3c(s2)CCCC3)nc1 ZINC000012524499 524876770 /nfs/dbraw/zinc/87/67/70/524876770.db2.gz BIPPXUWYFQALGD-UHFFFAOYSA-N 0 0 436.602 5.758 50 0 IKAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(Nc3cccc(C(F)(F)F)c3)nc3ccccc32)C1 ZINC000020731909 524881099 /nfs/dbraw/zinc/88/10/99/524881099.db2.gz QIVRJMIGUDDMPJ-HOTGVXAUSA-N 0 0 427.470 6.115 50 0 IKAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020734976 524881442 /nfs/dbraw/zinc/88/14/42/524881442.db2.gz DWOYOJYFIPEFNS-ZBQDVAGSSA-N 0 0 426.969 5.543 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036034043 524882389 /nfs/dbraw/zinc/88/23/89/524882389.db2.gz UONPZTRHJSQARP-MRXNPFEDSA-N 0 0 447.503 5.247 50 0 IKAARN Cc1cc(Cl)ccc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000035482069 524889691 /nfs/dbraw/zinc/88/96/91/524889691.db2.gz UWIVTDUPRHYHFN-QHCPKHFHSA-N 0 0 441.984 5.143 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000021353734 524891075 /nfs/dbraw/zinc/89/10/75/524891075.db2.gz ILVOKDFNHNGEJQ-UHFFFAOYSA-N 0 0 434.970 5.096 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000012854189 524893485 /nfs/dbraw/zinc/89/34/85/524893485.db2.gz MMILMEAXRHJGDL-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012196369 524900548 /nfs/dbraw/zinc/90/05/48/524900548.db2.gz GVAILLQFWRPENC-GCJKJVERSA-N 0 0 426.925 5.661 50 0 IKAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000012344321 524900824 /nfs/dbraw/zinc/90/08/24/524900824.db2.gz NRMYXZZQPFRZKH-OAQYLSRUSA-N 0 0 446.334 5.449 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088373 524900980 /nfs/dbraw/zinc/90/09/80/524900980.db2.gz RXIBKZCBIGZRAL-UHFFFAOYSA-N 0 0 449.795 5.163 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCCC(C)C)CCCC4)c1 ZINC000021539840 524902236 /nfs/dbraw/zinc/90/22/36/524902236.db2.gz OUHYXRFOCUEDQO-VWLOTQADSA-N 0 0 447.648 6.387 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(F)cc2)c1 ZINC000021893501 524902518 /nfs/dbraw/zinc/90/25/18/524902518.db2.gz DBLRUSGSYBJXGZ-SANMLTNESA-N 0 0 425.507 5.740 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036034083 524902574 /nfs/dbraw/zinc/90/25/74/524902574.db2.gz CLVPAZFLQFBTTQ-SFHVURJKSA-N 0 0 443.540 5.416 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000021893293 524902671 /nfs/dbraw/zinc/90/26/71/524902671.db2.gz RYANAAAHJJWTJR-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S[C@@H]2CCCCCC2=O)cc1 ZINC000012867288 524917638 /nfs/dbraw/zinc/91/76/38/524917638.db2.gz ADYKTVQDGLEXTO-UOCRBVKVSA-N 0 0 448.544 5.102 50 0 IKAARN COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000012344314 524919622 /nfs/dbraw/zinc/91/96/22/524919622.db2.gz NRMYXZZQPFRZKH-NRFANRHFSA-N 0 0 446.334 5.449 50 0 IKAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)Nc2ccccc2C(F)(F)F)CC3)cc1 ZINC000034927541 524919718 /nfs/dbraw/zinc/91/97/18/524919718.db2.gz RVOAZLVJAQTQKP-UHFFFAOYSA-N 0 0 449.498 5.118 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035912282 524919735 /nfs/dbraw/zinc/91/97/35/524919735.db2.gz QRJWNVYOOYDGBV-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1Cl ZINC000020573793 524920059 /nfs/dbraw/zinc/92/00/59/524920059.db2.gz WVUZVIKOLIRPFA-XMMPIXPASA-N 0 0 434.948 5.128 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000012447779 524920800 /nfs/dbraw/zinc/92/08/00/524920800.db2.gz GBCUIBKOHUTPJW-XMMPIXPASA-N 0 0 434.948 5.128 50 0 IKAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)Nc2cccc4ccccc42)CC3)cc1 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50 0 IKAARN Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441872 525117503 /nfs/dbraw/zinc/11/75/03/525117503.db2.gz JBVLVFNJAYKRFI-UHFFFAOYSA-N 0 0 432.593 5.768 50 0 IKAARN Cc1ccccc1CN(C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000012529086 525127268 /nfs/dbraw/zinc/12/72/68/525127268.db2.gz FFNRRPJHNGFQPC-GDLZYMKVSA-N 0 0 447.582 5.958 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(NC(=O)Cc3ccc(F)cc3)c2)C1=O ZINC000034735320 525141108 /nfs/dbraw/zinc/14/11/08/525141108.db2.gz COPXGELZFYYKPS-UHFFFAOYSA-N 0 0 431.511 5.148 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3cccc(Cl)c3)c2)C1=O ZINC000035180877 525141318 /nfs/dbraw/zinc/14/13/18/525141318.db2.gz URKKYCNAOSWIJO-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccc(F)cc2)CCCC4)cc1C ZINC000021048454 525145207 /nfs/dbraw/zinc/14/52/07/525145207.db2.gz MTFDHCPFMHZNJE-XMMPIXPASA-N 0 0 434.580 6.562 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)cc1C ZINC000021893831 525149084 /nfs/dbraw/zinc/14/90/84/525149084.db2.gz HCQFQTWRBJFWNJ-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)c(C)c1 ZINC000021536539 525149237 /nfs/dbraw/zinc/14/92/37/525149237.db2.gz UDABTFGKYVASMH-SANMLTNESA-N 0 0 443.497 6.509 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)cc1C ZINC000021536471 525149322 /nfs/dbraw/zinc/14/93/22/525149322.db2.gz HBBNEPFPKAODPR-SANMLTNESA-N 0 0 443.497 6.509 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1C ZINC000021536120 525149768 /nfs/dbraw/zinc/14/97/68/525149768.db2.gz LSMHMKIKZCBBLM-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)cc1C ZINC000021893570 525149790 /nfs/dbraw/zinc/14/97/90/525149790.db2.gz LFWFXZVIZWQHCJ-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)cc1C ZINC000021536473 525149845 /nfs/dbraw/zinc/14/98/45/525149845.db2.gz HBBNEPFPKAODPR-AREMUKBSSA-N 0 0 443.497 6.509 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000021536497 525149890 /nfs/dbraw/zinc/14/98/90/525149890.db2.gz GVWNSHFXXZYWFR-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910783 525171426 /nfs/dbraw/zinc/17/14/26/525171426.db2.gz NJHCQNMWSVGSQW-JOCHJYFZSA-N 0 0 432.495 5.163 50 0 IKAARN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000012678407 525173789 /nfs/dbraw/zinc/17/37/89/525173789.db2.gz PNCNCRGTYRILHV-YOEHRIQHSA-N 0 0 438.877 5.088 50 0 IKAARN C[C@H](NC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C)c1ccccc1 ZINC000012631313 525183273 /nfs/dbraw/zinc/18/32/73/525183273.db2.gz HOWHGGJWBVJQGK-DLVCFXQMSA-N 0 0 447.000 5.569 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1Cl ZINC000033067877 525184950 /nfs/dbraw/zinc/18/49/50/525184950.db2.gz RJYLMPWPBVDTOL-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccccc1CSc1nc2c(-c3ccccc3)cn(C)c2c(=O)n1CCC(C)C ZINC000033114603 525184997 /nfs/dbraw/zinc/18/49/97/525184997.db2.gz DLUVHJKBGGTEHE-UHFFFAOYSA-N 0 0 431.605 6.049 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067924 525186299 /nfs/dbraw/zinc/18/62/99/525186299.db2.gz VAWVFHVOUJPYSQ-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 ZINC000033018496 525186321 /nfs/dbraw/zinc/18/63/21/525186321.db2.gz BSZVODKZKASVFG-UHFFFAOYSA-N 0 0 435.574 6.420 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000754643 525186469 /nfs/dbraw/zinc/18/64/69/525186469.db2.gz BOKXLFRFSYDESC-UHFFFAOYSA-N 0 0 429.307 6.590 50 0 IKAARN Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)cn2NC(=O)Nc2ccc(C)cc2)cc1 ZINC000012524804 525187894 /nfs/dbraw/zinc/18/78/94/525187894.db2.gz YISBBTYWCAMBLR-UHFFFAOYSA-N 0 0 440.507 5.587 50 0 IKAARN Cc1ccc(NC(=O)Nc2nnc(COc3ccc(Br)cc3)s2)cc1C ZINC000017180795 525188496 /nfs/dbraw/zinc/18/84/96/525188496.db2.gz PMAAFARWZFDLTM-UHFFFAOYSA-N 0 0 433.331 5.140 50 0 IKAARN COc1ccc([C@@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc2)cc1 ZINC000012608751 525194726 /nfs/dbraw/zinc/19/47/26/525194726.db2.gz NEADTRSVXMBJQM-NRFANRHFSA-N 0 0 432.467 5.107 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1cccs1 ZINC000021869176 525198516 /nfs/dbraw/zinc/19/85/16/525198516.db2.gz NBXIMSDSYNRKNZ-AREMUKBSSA-N 0 0 447.604 5.080 50 0 IKAARN C[C@H](NC(=O)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N(C)C)c1ccccc1 ZINC000016568014 525199513 /nfs/dbraw/zinc/19/95/13/525199513.db2.gz MNVIWWFWTPZQHS-CBKZDSQWSA-N 0 0 445.607 5.399 50 0 IKAARN Cc1cc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccc1Br ZINC000021705489 525203926 /nfs/dbraw/zinc/20/39/26/525203926.db2.gz SWMYDSBBRAAZDD-UHFFFAOYSA-N 0 0 449.308 6.119 50 0 IKAARN Cc1cc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)ccc1Br ZINC000033169337 525204383 /nfs/dbraw/zinc/20/43/83/525204383.db2.gz NSKJFDBOKMRALE-UHFFFAOYSA-N 0 0 448.320 6.724 50 0 IKAARN COc1ccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476834 525205254 /nfs/dbraw/zinc/20/52/54/525205254.db2.gz ASQICVFTBMFTAU-HSZRJFAPSA-N 0 0 429.545 5.914 50 0 IKAARN Cc1cc(NC(=O)Nc2cccc(C)c2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008338 525207236 /nfs/dbraw/zinc/20/72/36/525207236.db2.gz OGPYXZYLTPFUJA-UHFFFAOYSA-N 0 0 430.533 6.118 50 0 IKAARN Cc1ccccc1Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000035400530 525208593 /nfs/dbraw/zinc/20/85/93/525208593.db2.gz GAOQFYFPYSUORU-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1cc(NC(=O)[C@@H](SCc2nc(-c3ccccc3Cl)no2)c2ccccc2)no1 ZINC000012906662 525212915 /nfs/dbraw/zinc/21/29/15/525212915.db2.gz DBKVCMRBAPSLGJ-IBGZPJMESA-N 0 0 440.912 5.300 50 0 IKAARN C[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc3c(c2)OCO3)CC1(Cl)Cl ZINC000012402158 525217208 /nfs/dbraw/zinc/21/72/08/525217208.db2.gz HKJBXKQXIMVZIW-QGZVFWFLSA-N 0 0 448.224 5.749 50 0 IKAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012463081 525220473 /nfs/dbraw/zinc/22/04/73/525220473.db2.gz UVNCRGNHBLFMIL-DEOSSOPVSA-N 0 0 448.444 7.045 50 0 IKAARN Cc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1Cl ZINC000033272019 525230481 /nfs/dbraw/zinc/23/04/81/525230481.db2.gz SLCVOGZSLACPKS-UHFFFAOYSA-N 0 0 426.925 5.015 50 0 IKAARN Cc1cc(NC(=O)[C@H]2CCCN(c3nccc4sccc43)C2)ccc1Br ZINC000033174257 525232282 /nfs/dbraw/zinc/23/22/82/525232282.db2.gz CNIIDGVWSHVWCR-AWEZNQCLSA-N 0 0 430.371 5.222 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1 ZINC000021728784 525236888 /nfs/dbraw/zinc/23/68/88/525236888.db2.gz VFRWNZZSWLJCEB-NRFANRHFSA-N 0 0 429.907 5.675 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(Cl)cc4)ccc3=O)cc2)cc1 ZINC000032998944 525237627 /nfs/dbraw/zinc/23/76/27/525237627.db2.gz SOYWUNNOZYRRGK-UHFFFAOYSA-N 0 0 447.947 5.598 50 0 IKAARN C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Br)cc1 ZINC000012767008 525238099 /nfs/dbraw/zinc/23/80/99/525238099.db2.gz KSYSWTDZTZJDST-AWEZNQCLSA-N 0 0 443.366 5.278 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1 ZINC000020894888 525240796 /nfs/dbraw/zinc/24/07/96/525240796.db2.gz SGYIZCJJNOQEID-UHFFFAOYSA-N 0 0 439.606 5.854 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012783807 525241070 /nfs/dbraw/zinc/24/10/70/525241070.db2.gz OFVJPGUVAZBHIW-DEOSSOPVSA-N 0 0 435.568 5.083 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N[C@@H]3c4ccccc4C(=O)N3CCC(C)C)cc2)cc1C ZINC000035730863 525241147 /nfs/dbraw/zinc/24/11/47/525241147.db2.gz UPSJPOZNQINVRQ-SANMLTNESA-N 0 0 441.575 6.168 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000057289829 525242195 /nfs/dbraw/zinc/24/21/95/525242195.db2.gz BQJXWRWYBGJDHP-IBGZPJMESA-N 0 0 435.549 5.371 50 0 IKAARN Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441927 525244119 /nfs/dbraw/zinc/24/41/19/525244119.db2.gz GOPFLLBXZHJNSV-UHFFFAOYSA-N 0 0 443.326 5.220 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1Cl ZINC000033025326 525244742 /nfs/dbraw/zinc/24/47/42/525244742.db2.gz FJTGDBAGDAICLZ-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)no1 ZINC000065032297 525245959 /nfs/dbraw/zinc/24/59/59/525245959.db2.gz QWFZOVWJDNXTNF-HNNXBMFYSA-N 0 0 442.500 5.611 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1OC ZINC000012823550 525247292 /nfs/dbraw/zinc/24/72/92/525247292.db2.gz IXVGCVVVNAVMJK-NRFANRHFSA-N 0 0 443.503 5.193 50 0 IKAARN Cc1ccccc1NC(=O)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 ZINC000021711688 525255371 /nfs/dbraw/zinc/25/53/71/525255371.db2.gz ODNRBFZMNPMOOP-UHFFFAOYSA-N 0 0 428.448 5.009 50 0 IKAARN Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012590307 525257929 /nfs/dbraw/zinc/25/79/29/525257929.db2.gz UMZQDJUWIDJNEJ-QGZVFWFLSA-N 0 0 431.517 5.093 50 0 IKAARN Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)oc2Sc2ccc(Cl)cc2)cc1 ZINC000035681715 525258097 /nfs/dbraw/zinc/25/80/97/525258097.db2.gz VPUATSXQJWTPKX-UHFFFAOYSA-N 0 0 434.948 7.015 50 0 IKAARN Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012590313 525259720 /nfs/dbraw/zinc/25/97/20/525259720.db2.gz UMZQDJUWIDJNEJ-KRWDZBQOSA-N 0 0 431.517 5.093 50 0 IKAARN C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1 ZINC000012822595 525263357 /nfs/dbraw/zinc/26/33/57/525263357.db2.gz DSFMIMVRUFJMJF-LBPRGKRZSA-N 0 0 427.348 5.401 50 0 IKAARN Cc1ccccc1NC(=S)N(CCCN1CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000020729594 525266179 /nfs/dbraw/zinc/26/61/79/525266179.db2.gz KZGBXWULBFRZAC-HXUWFJFHSA-N 0 0 437.609 5.224 50 0 IKAARN Cc1ccccc1NC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C ZINC000012524479 525266375 /nfs/dbraw/zinc/26/63/75/525266375.db2.gz USIYJWZYVJNRPZ-UHFFFAOYSA-N 0 0 448.661 7.274 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1OC ZINC000012437280 525270329 /nfs/dbraw/zinc/27/03/29/525270329.db2.gz VSTGRFASKVXDLM-YWEHKCAJSA-N 0 0 436.511 6.099 50 0 IKAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000012196778 525270358 /nfs/dbraw/zinc/27/03/58/525270358.db2.gz TXROMJPSJISKAU-NLFFAJNJSA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012192642 525271221 /nfs/dbraw/zinc/27/12/21/525271221.db2.gz CFFDPDSOSCFBFQ-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc(NCC(=O)Nc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000021659612 525274437 /nfs/dbraw/zinc/27/44/37/525274437.db2.gz HSYSTLGEZCZMQL-UHFFFAOYSA-N 0 0 442.950 6.131 50 0 IKAARN Cc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000015859097 525274490 /nfs/dbraw/zinc/27/44/90/525274490.db2.gz HADWXGYKIIFCPW-UHFFFAOYSA-N 0 0 442.950 6.131 50 0 IKAARN Cc1ccccc1Nc1nc(CSc2nnc(Cc3cccs3)n2C2CC2)cs1 ZINC000012594420 525275110 /nfs/dbraw/zinc/27/51/10/525275110.db2.gz NAKZJLBGFQMIMK-UHFFFAOYSA-N 0 0 439.635 6.066 50 0 IKAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Cl)=CC(Cl)=CN32)cc1 ZINC000012821463 525276766 /nfs/dbraw/zinc/27/67/66/525276766.db2.gz TUARZLAMULEFDZ-OAQYLSRUSA-N 0 0 437.330 5.841 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000021879911 525277625 /nfs/dbraw/zinc/27/76/25/525277625.db2.gz BSJUPKBQHFMDKT-RUZDIDTESA-N 0 0 427.504 5.365 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1ccccc1SCc1nnc(-c2ccccc2)o1 ZINC000021709255 525280777 /nfs/dbraw/zinc/28/07/77/525280777.db2.gz ZJVMLQKYNVEMBZ-UHFFFAOYSA-N 0 0 431.517 5.355 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000021782168 525281717 /nfs/dbraw/zinc/28/17/17/525281717.db2.gz SFSHPYDVHUJKFJ-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000021891979 525282311 /nfs/dbraw/zinc/28/23/11/525282311.db2.gz VKFMFQJBQGSERV-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000012344285 525282386 /nfs/dbraw/zinc/28/23/86/525282386.db2.gz WKZAYYXVNXXTPH-XMMPIXPASA-N 0 0 433.552 5.440 50 0 IKAARN Cc1cc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)ccc1Br ZINC000021033713 525287882 /nfs/dbraw/zinc/28/78/82/525287882.db2.gz IEYIYZHZVOLNBG-UHFFFAOYSA-N 0 0 433.327 5.091 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)CSc3ccncc3)cc12 ZINC000020532863 525306997 /nfs/dbraw/zinc/30/69/97/525306997.db2.gz FRMLRBTWHQFJOG-UHFFFAOYSA-N 0 0 434.952 6.066 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 ZINC000020853497 525308361 /nfs/dbraw/zinc/30/83/61/525308361.db2.gz MOQCZLWWYOLHQM-UHFFFAOYSA-N 0 0 427.474 5.663 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3ncccn32)c(C)c1 ZINC000035615750 525321090 /nfs/dbraw/zinc/32/10/90/525321090.db2.gz OAHVGQYDPSTHNN-UHFFFAOYSA-N 0 0 442.607 7.057 50 0 IKAARN C[C@]1(c2ccccc2)CC(c2ccccc2)=C[C@@](O)(c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000012384233 525321327 /nfs/dbraw/zinc/32/13/27/525321327.db2.gz WXOFSVGQZXAZRK-DCMFLLSESA-N 0 0 444.574 6.819 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000035429790 525324790 /nfs/dbraw/zinc/32/47/90/525324790.db2.gz QGHWCYIELMZUAB-UHFFFAOYSA-N 0 0 433.309 5.697 50 0 IKAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1Cl ZINC000021881938 525325823 /nfs/dbraw/zinc/32/58/23/525325823.db2.gz YRLGOYXEZSYUJZ-UHFFFAOYSA-N 0 0 429.973 5.361 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)s2)cc1C ZINC000021844531 525330499 /nfs/dbraw/zinc/33/04/99/525330499.db2.gz CYYUMNPWIIENIT-MRXNPFEDSA-N 0 0 430.624 5.416 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccc(Cl)cc1 ZINC000020578364 525342023 /nfs/dbraw/zinc/34/20/23/525342023.db2.gz GUTVRXKYDOCEDA-UHFFFAOYSA-N 0 0 426.973 5.237 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000020561174 525344279 /nfs/dbraw/zinc/34/42/79/525344279.db2.gz VNDKZDPCQRXQHV-QHCPKHFHSA-N 0 0 444.531 5.047 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)c1ccccc1Cl ZINC000012812593 525353352 /nfs/dbraw/zinc/35/33/52/525353352.db2.gz AMSZUQOLGKQZIF-MRXNPFEDSA-N 0 0 449.967 5.099 50 0 IKAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000012547270 525359145 /nfs/dbraw/zinc/35/91/45/525359145.db2.gz NFMOZXUGUGLRGH-QGZVFWFLSA-N 0 0 437.927 5.633 50 0 IKAARN COc1ccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476835 525375340 /nfs/dbraw/zinc/37/53/40/525375340.db2.gz ASQICVFTBMFTAU-QHCPKHFHSA-N 0 0 429.545 5.914 50 0 IKAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000012595956 525379413 /nfs/dbraw/zinc/37/94/13/525379413.db2.gz WEVYKDBVBFCILB-HXUWFJFHSA-N 0 0 427.504 5.130 50 0 IKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C/c1cc(Br)ccc1F ZINC000065488526 525389818 /nfs/dbraw/zinc/38/98/18/525389818.db2.gz ULWLMRDZOAEFGZ-FPYGCLRLSA-N 0 0 428.261 5.131 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)c2c1[C@@H](C)CC2=O ZINC000012746542 525395541 /nfs/dbraw/zinc/39/55/41/525395541.db2.gz SKLCKHPLEDVWHV-KRWDZBQOSA-N 0 0 432.545 5.390 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000021894087 525397040 /nfs/dbraw/zinc/39/70/40/525397040.db2.gz NOEURCJVJUXHKR-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccccc2SCc2nnc(-c3ccccc3)o2)cc1 ZINC000021709258 525397691 /nfs/dbraw/zinc/39/76/91/525397691.db2.gz WWTOVMUEKKFFFF-UHFFFAOYSA-N 0 0 431.517 5.355 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc3S2)cc1 ZINC000016953544 525400966 /nfs/dbraw/zinc/40/09/66/525400966.db2.gz CKDZNGXIBWJLAY-JOCHJYFZSA-N 0 0 436.508 5.043 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c(OC)c1OC ZINC000263586922 525402927 /nfs/dbraw/zinc/40/29/27/525402927.db2.gz ZQGZABHDDHKBGH-LJQANCHMSA-N 0 0 442.515 5.190 50 0 biogenic IKAARN COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)c(OC)c1 ZINC000022386390 525407973 /nfs/dbraw/zinc/40/79/73/525407973.db2.gz VXRJKKMBPWMIGF-HXUWFJFHSA-N 0 0 440.927 5.309 50 0 IKAARN COc1ccc([C@H]2CCCCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000057289832 525409302 /nfs/dbraw/zinc/40/93/02/525409302.db2.gz BQJXWRWYBGJDHP-LJQANCHMSA-N 0 0 435.549 5.371 50 0 IKAARN Cc1nc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)[nH]c1Cc1ccccc1 ZINC000012627493 525413209 /nfs/dbraw/zinc/41/32/09/525413209.db2.gz UKZNNZCWKJQALA-UHFFFAOYSA-N 0 0 448.617 5.547 50 0 IKAARN COc1ccc([C@H]2CCC[N@@H+]2[C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)c2ccccc12 ZINC000035105635 525416082 /nfs/dbraw/zinc/41/60/82/525416082.db2.gz LQKDNTCCNBXOHV-VWNXMTODSA-N 0 0 434.923 5.946 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cc(C)ccc1C ZINC000017121876 525425459 /nfs/dbraw/zinc/42/54/59/525425459.db2.gz PRSIEOAMCGXWQI-UHFFFAOYSA-N 0 0 442.632 6.238 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000012539547 525427812 /nfs/dbraw/zinc/42/78/12/525427812.db2.gz UNIQNTZJRIINJI-OAQYLSRUSA-N 0 0 443.522 5.079 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000012461754 525427845 /nfs/dbraw/zinc/42/78/45/525427845.db2.gz FDHDQOMUDWIMJB-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)C(C)(C)C)cc2c1[C@H](Nc1ccccc1F)c1ccccn1 ZINC000021659675 525428336 /nfs/dbraw/zinc/42/83/36/525428336.db2.gz LLVBILKFXOSCFY-XMMPIXPASA-N 0 0 430.527 6.197 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(F)c1 ZINC000012514151 525428362 /nfs/dbraw/zinc/42/83/62/525428362.db2.gz ILAQQGIJQMLOKL-UHFFFAOYSA-N 0 0 436.531 5.591 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)NC1CCCCC1 ZINC000016977164 525429331 /nfs/dbraw/zinc/42/93/31/525429331.db2.gz MILGTQVETDUNFY-UHFFFAOYSA-N 0 0 430.017 5.975 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)C(C)(C)C)cc2c1[C@@H](Nc1cccc(C)n1)c1ccccn1 ZINC000021659665 525429797 /nfs/dbraw/zinc/42/97/97/525429797.db2.gz BUSSTCAPCNXAIY-DEOSSOPVSA-N 0 0 427.552 5.761 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@@H](Nc1ccccn1)c1ccccn1 ZINC000021805666 525431409 /nfs/dbraw/zinc/43/14/09/525431409.db2.gz AGYIISUNCMHFGC-SANMLTNESA-N 0 0 433.515 5.720 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193112 525432146 /nfs/dbraw/zinc/43/21/46/525432146.db2.gz HEHATUBMJXRNOU-JTHBVZDNSA-N 0 0 435.321 5.700 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(SC(F)F)cc2)c(C)cc1Br ZINC000012585212 525432761 /nfs/dbraw/zinc/43/27/61/525432761.db2.gz QKMZAMPAIVHSIZ-UHFFFAOYSA-N 0 0 432.355 6.111 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1OC ZINC000012437281 525433022 /nfs/dbraw/zinc/43/30/22/525433022.db2.gz VSTGRFASKVXDLM-UFHPHHKVSA-N 0 0 436.511 6.099 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCc2cccs2)c(F)c1 ZINC000012302579 525438401 /nfs/dbraw/zinc/43/84/01/525438401.db2.gz LDIYTFFOFYNVHO-SANMLTNESA-N 0 0 448.563 5.874 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(SC)c2)cc1 ZINC000021880017 525438696 /nfs/dbraw/zinc/43/86/96/525438696.db2.gz NWAWCMMCLBPDLK-VWLOTQADSA-N 0 0 443.572 6.078 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021880009 525439159 /nfs/dbraw/zinc/43/91/59/525439159.db2.gz AWEJYYZZIYSTNL-DEOSSOPVSA-N 0 0 433.458 5.634 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000012542229 525439408 /nfs/dbraw/zinc/43/94/08/525439408.db2.gz SRDRAWBNHDQKEJ-WSYHJUONSA-N 0 0 441.571 6.129 50 0 IKAARN Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc32)c2cc(Cl)ccc2NC1=O ZINC000015016813 525440384 /nfs/dbraw/zinc/44/03/84/525440384.db2.gz VFGRRVFDQBBNIE-UHFFFAOYSA-N 0 0 425.919 6.206 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1cc(O)ccc1Br ZINC000008396954 525441982 /nfs/dbraw/zinc/44/19/82/525441982.db2.gz CHPCWYLATYMLCE-UHFFFAOYSA-N 0 0 445.360 6.914 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)o1 ZINC000012676442 525442130 /nfs/dbraw/zinc/44/21/30/525442130.db2.gz DOBHVEXLRNGEGN-ZDUSSCGKSA-N 0 0 427.913 5.455 50 0 IKAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3I)o2)cc1 ZINC000012273973 525442572 /nfs/dbraw/zinc/44/25/72/525442572.db2.gz BJSQXCMMZHOFJO-UHFFFAOYSA-N 0 0 433.245 5.024 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021522961 525442843 /nfs/dbraw/zinc/44/28/43/525442843.db2.gz AMWMNKKSFCGWAG-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021892248 525443123 /nfs/dbraw/zinc/44/31/23/525443123.db2.gz PZFRXAGFILDRPJ-MHZLTWQESA-N 0 0 437.543 5.343 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1OC ZINC000021892624 525443285 /nfs/dbraw/zinc/44/32/85/525443285.db2.gz CEPYSPMKCSGUAZ-VWLOTQADSA-N 0 0 431.536 5.052 50 0 IKAARN Cc1cc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc(C)n1 ZINC000012523545 525444616 /nfs/dbraw/zinc/44/46/16/525444616.db2.gz PJRWINCGESUWNU-UHFFFAOYSA-N 0 0 429.336 5.194 50 0 IKAARN C[C@H](NCc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2 ZINC000040088625 525446890 /nfs/dbraw/zinc/44/68/90/525446890.db2.gz KPBZRCJKPDSJET-INIZCTEOSA-N 0 0 428.939 5.227 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000012461721 525467128 /nfs/dbraw/zinc/46/71/28/525467128.db2.gz ZTXDZHKTBXLEGY-BGYRXZFFSA-N 0 0 432.520 5.115 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)cc1 ZINC000012792936 525476220 /nfs/dbraw/zinc/47/62/20/525476220.db2.gz YMYCEKHJSZLCKO-UHFFFAOYSA-N 0 0 446.572 5.754 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000012600011 525478362 /nfs/dbraw/zinc/47/83/62/525478362.db2.gz KRQUMOUOMNYOPS-INIZCTEOSA-N 0 0 426.310 5.956 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cc(C)ccc3C)c2c1 ZINC000020231769 525480397 /nfs/dbraw/zinc/48/03/97/525480397.db2.gz CWOYBTACMMXNRU-UHFFFAOYSA-N 0 0 447.604 6.136 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)ccc1C)[C@@H]3c1ccc(F)cc1 ZINC000015725385 525480549 /nfs/dbraw/zinc/48/05/49/525480549.db2.gz PWEDHWPMHRMYLU-AREMUKBSSA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)c(C)c1)[C@@H]3c1ccc(C)cc1 ZINC000015725454 525480882 /nfs/dbraw/zinc/48/08/82/525480882.db2.gz ZYJWZWZPXNQWPF-HHHXNRCGSA-N 0 0 439.559 6.281 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476946 525482713 /nfs/dbraw/zinc/48/27/13/525482713.db2.gz DPLHREKDPUQNBV-OAQYLSRUSA-N 0 0 429.549 5.312 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1OC)[C@@H]3c1ccc(F)cc1 ZINC000021880080 525483171 /nfs/dbraw/zinc/48/31/71/525483171.db2.gz KKPTYQVPJVOVPH-RUZDIDTESA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1)[C@@H]3c1ccc(C)cc1 ZINC000015725507 525483179 /nfs/dbraw/zinc/48/31/79/525483179.db2.gz PBMBHWFTBULHNH-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476928 525483628 /nfs/dbraw/zinc/48/36/28/525483628.db2.gz SAQTXTPNSODCBS-QFIPXVFZSA-N 0 0 428.561 5.917 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000035476942 525483725 /nfs/dbraw/zinc/48/37/25/525483725.db2.gz FBZKFDUPQGXSHK-QFIPXVFZSA-N 0 0 446.551 6.056 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(Cl)c1)[C@@H]3c1ccccc1C ZINC000020607292 525483940 /nfs/dbraw/zinc/48/39/40/525483940.db2.gz JFAZAZHEYMBDMO-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(F)c1)[C@H]3c1ccc(F)cc1 ZINC000021779640 525484017 /nfs/dbraw/zinc/48/40/17/525484017.db2.gz QMGVMPNWYIGIOW-DEOSSOPVSA-N 0 0 433.458 5.634 50 0 IKAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000021114389 525485086 /nfs/dbraw/zinc/48/50/86/525485086.db2.gz QSDJUUMKGUHFHT-UHFFFAOYSA-N 0 0 448.569 5.198 50 0 IKAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCC[C@@H]3c3ccc(OC)c4ccccc43)c2c1 ZINC000020729506 525494800 /nfs/dbraw/zinc/49/48/00/525494800.db2.gz YZGSNPDDOYRMNG-ILBGXUMGSA-N 0 0 430.504 5.301 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)N3[C@H](C)CCC[C@@H]3C)sc2c1Cl ZINC000012604470 525504115 /nfs/dbraw/zinc/50/41/15/525504115.db2.gz KENQHIAPXPYKAN-PHIMTYICSA-N 0 0 430.353 5.163 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000035685008 525508367 /nfs/dbraw/zinc/50/83/67/525508367.db2.gz ASZWAHCWXMICBL-MRXNPFEDSA-N 0 0 448.376 5.068 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)Cc2ccco2)cc1 ZINC000036012861 525510728 /nfs/dbraw/zinc/51/07/28/525510728.db2.gz LHTAHDLBTAMPRU-UHFFFAOYSA-N 0 0 436.533 5.251 50 0 IKAARN Cc1c(-n2c(-c3ccc(C)cc3)csc2=NC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000254746463 525512260 /nfs/dbraw/zinc/51/22/60/525512260.db2.gz BEZVYSJIZMWIIW-UHFFFAOYSA-N 0 0 432.593 5.011 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2cc(-c3cc(C)ccc3C)on2)Cc2ccccc2)cc1 ZINC000036005699 525512527 /nfs/dbraw/zinc/51/25/27/525512527.db2.gz KEQVONLLUSUPAY-UHFFFAOYSA-N 0 0 446.572 5.658 50 0 IKAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1c(C)cccc1C ZINC000020848611 525513107 /nfs/dbraw/zinc/51/31/07/525513107.db2.gz UIPQWQINOSFAJK-UHFFFAOYSA-N 0 0 446.580 5.261 50 0 IKAARN COc1ccc2c(c1)CC[C@H]1C2=Nc2ccccc2S[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000012368789 525533813 /nfs/dbraw/zinc/53/38/13/525533813.db2.gz JDGSXMVNFYUHTA-GBXCKJPGSA-N 0 0 439.502 7.244 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000035476943 525537663 /nfs/dbraw/zinc/53/76/63/525537663.db2.gz FBZKFDUPQGXSHK-JOCHJYFZSA-N 0 0 446.551 6.056 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476929 525538714 /nfs/dbraw/zinc/53/87/14/525538714.db2.gz SAQTXTPNSODCBS-JOCHJYFZSA-N 0 0 428.561 5.917 50 0 IKAARN Cc1cc([C@H]2CC[C@@H](C(=O)NCc3cccc(F)c3)CN2C(=O)C2CCCC2)ccc1F ZINC000034715399 525549416 /nfs/dbraw/zinc/54/94/16/525549416.db2.gz FCANQNJFXVFXFC-ZJSXRUAMSA-N 0 0 440.534 5.060 50 0 IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC1)c1cccn1-2 ZINC000035446848 525551221 /nfs/dbraw/zinc/55/12/21/525551221.db2.gz SLNHUWJPJOQBHA-UHFFFAOYSA-N 0 0 436.943 5.396 50 0 biogenic IKAARN Cc1ccn(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccccc3)cc2)n1 ZINC000036617057 525557256 /nfs/dbraw/zinc/55/72/56/525557256.db2.gz BJNJALCQEAWEKQ-UHFFFAOYSA-N 0 0 448.530 5.353 50 0 IKAARN Cc1c(C(=O)N(C)[C@@H](C)c2cccs2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012456641 525558968 /nfs/dbraw/zinc/55/89/68/525558968.db2.gz YEPWNOOBDBJBHZ-KRWDZBQOSA-N 0 0 443.576 5.021 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000012461860 525597221 /nfs/dbraw/zinc/59/72/21/525597221.db2.gz LVMMDAADBXCUOC-UHFFFAOYSA-N 0 0 442.968 5.443 50 0 IKAARN CSCCc1[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1C ZINC000012372037 525599210 /nfs/dbraw/zinc/59/92/10/525599210.db2.gz NTRVIXWKYNPQMK-UHFFFAOYSA-N 0 0 427.620 5.545 50 0 IKAARN Cc1ccn(CCC(=O)N(Cc2cc3ccc(C)cc3nc2-c2cccc(C)c2)C2CC2)n1 ZINC000012452712 525600341 /nfs/dbraw/zinc/60/03/41/525600341.db2.gz WUDRKDBAAWBCFH-UHFFFAOYSA-N 0 0 438.575 5.605 50 0 IKAARN Cc1ccn(CCC(=O)N(Cc2cccc(OCCc3cccs3)c2)C2CCCC2)n1 ZINC000012149032 525601562 /nfs/dbraw/zinc/60/15/62/525601562.db2.gz BMRWDEWAEBXOQC-UHFFFAOYSA-N 0 0 437.609 5.236 50 0 IKAARN COc1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)cc2-c1ccccc1 ZINC000035088393 525605547 /nfs/dbraw/zinc/60/55/47/525605547.db2.gz DSJLZSYNJKFYHR-PMAPCBKXSA-N 0 0 434.605 6.086 50 0 IKAARN COc1ccc2c(c1)nc(S[C@@H](C)C(=O)Nc1ccc(Cl)cn1)cc2-c1ccccc1 ZINC000012546791 525605925 /nfs/dbraw/zinc/60/59/25/525605925.db2.gz QAEVGOMLIUABFN-HNNXBMFYSA-N 0 0 449.963 6.078 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4cc(Cl)ccc4C)c3)nc2c1 ZINC000021100224 525606148 /nfs/dbraw/zinc/60/61/48/525606148.db2.gz QYDNGIULNPVNCW-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1c(C(=O)NCCC(C)C)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020418004 525606586 /nfs/dbraw/zinc/60/65/86/525606586.db2.gz GYJXZDYORFIGPN-VWLOTQADSA-N 0 0 439.939 6.051 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cc2c(s1)CCC2 ZINC000012584628 525606609 /nfs/dbraw/zinc/60/66/09/525606609.db2.gz NZAGUKKLOWBSEM-UHFFFAOYSA-N 0 0 446.981 5.252 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c2Nc1ccccc1 ZINC000035615764 525609480 /nfs/dbraw/zinc/60/94/80/525609480.db2.gz OLLYVUXBPHCCMM-UHFFFAOYSA-N 0 0 427.592 7.354 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)COc1cccc(Br)c1 ZINC000012596486 525610468 /nfs/dbraw/zinc/61/04/68/525610468.db2.gz OTZOPHJUHVXPGW-UHFFFAOYSA-N 0 0 436.309 5.090 50 0 IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@H]21 ZINC000012884986 525611209 /nfs/dbraw/zinc/61/12/09/525611209.db2.gz WKRYGEUBDXPPFD-KOSHJBKYSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882943 525611913 /nfs/dbraw/zinc/61/19/13/525611913.db2.gz BKIKXRDIBVZTOU-UUOWRZLLSA-N 0 0 426.516 5.126 50 0 IKAARN Cc1c(C(=O)NCCSCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 ZINC000012340426 525615580 /nfs/dbraw/zinc/61/55/80/525615580.db2.gz AFGMPHHDBDVNME-UHFFFAOYSA-N 0 0 437.462 5.002 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(c2ccccc2C)C3=O)o1 ZINC000021526782 525618605 /nfs/dbraw/zinc/61/86/05/525618605.db2.gz PVGKEECMVVAIGO-SANMLTNESA-N 0 0 433.552 5.109 50 0 IKAARN COc1ccc2cc(-c3nc4ccc(Cl)cc4c(-c4ccccc4F)c3C)ccc2c1 ZINC000012547075 525619046 /nfs/dbraw/zinc/61/90/46/525619046.db2.gz KBJHNFPMXFXVEG-UHFFFAOYSA-N 0 0 427.906 7.832 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490204 525630020 /nfs/dbraw/zinc/63/00/20/525630020.db2.gz YLCPJBYTAOGGBK-UHFFFAOYSA-N 0 0 431.923 5.182 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(/C=C\c3ccccc3)oc2NCc2ccccc2)cc1 ZINC000034719108 525633534 /nfs/dbraw/zinc/63/35/34/525633534.db2.gz OYQWUBUKIHRUQD-VKAVYKQESA-N 0 0 430.529 5.598 50 0 IKAARN COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 ZINC000033293761 525647261 /nfs/dbraw/zinc/64/72/61/525647261.db2.gz MKGLMANLNJUOLI-UDWIEESQSA-N 0 0 425.893 5.751 50 0 IKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490029 525651241 /nfs/dbraw/zinc/65/12/41/525651241.db2.gz QLJPOFJMPNOLQG-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992463 525653665 /nfs/dbraw/zinc/65/36/65/525653665.db2.gz MCBXNZIWEYNQFJ-UHFFFAOYSA-N 0 0 430.302 5.525 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020902733 525653826 /nfs/dbraw/zinc/65/38/26/525653826.db2.gz LMSIVLSIRJABLE-UHFFFAOYSA-N 0 0 425.532 5.776 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000015786523 525654993 /nfs/dbraw/zinc/65/49/93/525654993.db2.gz HJLNVCNZVKLWGN-UHFFFAOYSA-N 0 0 437.393 5.921 50 0 IKAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012535005 525656085 /nfs/dbraw/zinc/65/60/85/525656085.db2.gz ODLFGKBQTRKFHJ-HNNXBMFYSA-N 0 0 436.606 5.877 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C)c2C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490127 525658767 /nfs/dbraw/zinc/65/87/67/525658767.db2.gz OVEJJPYDRKJKBQ-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274500 525660289 /nfs/dbraw/zinc/66/02/89/525660289.db2.gz IFKVJACBQBSHGA-UHFFFAOYSA-N 0 0 443.894 5.598 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274487 525661174 /nfs/dbraw/zinc/66/11/74/525661174.db2.gz NOZALFLZONDAKH-UHFFFAOYSA-N 0 0 429.867 5.290 50 0 IKAARN C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012812575 525663563 /nfs/dbraw/zinc/66/35/63/525663563.db2.gz NCLOZZNLHGHJNW-INIZCTEOSA-N 0 0 445.544 5.097 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3Cl)oc2c(C)c1 ZINC000035374565 525664940 /nfs/dbraw/zinc/66/49/40/525664940.db2.gz PQGPLPZJMKNIGZ-UHFFFAOYSA-N 0 0 449.963 5.821 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)oc2c(C)c1 ZINC000009892090 525669043 /nfs/dbraw/zinc/66/90/43/525669043.db2.gz HLLZZMIXGGMZBE-UHFFFAOYSA-N 0 0 434.923 6.399 50 0 IKAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NC4CCCCCCC4)cc3)c2cc1C ZINC000033005968 525670531 /nfs/dbraw/zinc/67/05/31/525670531.db2.gz UQFZOFJGVXKLGE-UHFFFAOYSA-N 0 0 431.580 5.213 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NC4CCCCCCC4)cc3)n2)cc1 ZINC000032998982 525671335 /nfs/dbraw/zinc/67/13/35/525671335.db2.gz DPHQPVXEVHFVCV-UHFFFAOYSA-N 0 0 447.604 5.535 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)n2)cc1 ZINC000032999037 525671451 /nfs/dbraw/zinc/67/14/51/525671451.db2.gz HUDBBHGJNGNVAU-UHFFFAOYSA-N 0 0 445.588 5.312 50 0 IKAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n2o1 ZINC000041089519 525672404 /nfs/dbraw/zinc/67/24/04/525672404.db2.gz UHXJKGYLQUGPCL-UHFFFAOYSA-N 0 0 445.519 5.033 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(F)c(C)c3)C2)cc1 ZINC000033288482 525674698 /nfs/dbraw/zinc/67/46/98/525674698.db2.gz SGVXEUAAPODDSH-SFHVURJKSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc3)cc(=O)n2o1 ZINC000041089708 525675913 /nfs/dbraw/zinc/67/59/13/525675913.db2.gz BOAWAPIAHJDEDA-UHFFFAOYSA-N 0 0 434.521 5.149 50 0 IKAARN Cc1cc2nc(Cc3ccccc3F)n(CCC(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037385616 525677701 /nfs/dbraw/zinc/67/77/01/525677701.db2.gz HEUFXSSGFCYTNU-UHFFFAOYSA-N 0 0 433.502 5.229 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccnc2Cl)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012409942 525680333 /nfs/dbraw/zinc/68/03/33/525680333.db2.gz SLIIDLKGFDCFAH-UHFFFAOYSA-N 0 0 445.972 5.128 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccc(Cl)nc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012409359 525681354 /nfs/dbraw/zinc/68/13/54/525681354.db2.gz XWLPPXXCVKRHCV-UHFFFAOYSA-N 0 0 445.972 5.128 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4cccc(C)c4)c3c2c1 ZINC000020996443 525681689 /nfs/dbraw/zinc/68/16/89/525681689.db2.gz WOANLPQHSFCPLQ-UHFFFAOYSA-N 0 0 436.515 5.516 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2C)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012408451 525681814 /nfs/dbraw/zinc/68/18/14/525681814.db2.gz MHBBSBRHNKAUKV-UHFFFAOYSA-N 0 0 428.529 5.218 50 0 IKAARN Cc1cc2ncn(CC3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)c2cc1C ZINC000042381127 525683033 /nfs/dbraw/zinc/68/30/33/525683033.db2.gz JLKLWLZBUKWYKP-UHFFFAOYSA-N 0 0 444.501 5.023 50 0 IKAARN Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c(N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012372596 525685490 /nfs/dbraw/zinc/68/54/90/525685490.db2.gz SOQVQDRJXZJHGR-UHFFFAOYSA-N 0 0 427.328 5.014 50 0 IKAARN COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cc(C)ccc4C)c3n2)c1 ZINC000020615440 525705106 /nfs/dbraw/zinc/70/51/06/525705106.db2.gz CGKLJTBICWLKFO-UHFFFAOYSA-N 0 0 439.487 5.673 50 0 IKAARN COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)c1 ZINC000036617275 525705891 /nfs/dbraw/zinc/70/58/91/525705891.db2.gz PFBBLXIQHAGYLM-UHFFFAOYSA-N 0 0 425.460 5.365 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000009355424 525710507 /nfs/dbraw/zinc/71/05/07/525710507.db2.gz FJXCTGRPNBOCGN-GDLZYMKVSA-N 0 0 428.535 6.889 50 0 IKAARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc(C)c4)c(N)c32)cc1 ZINC000012250025 525713793 /nfs/dbraw/zinc/71/37/93/525713793.db2.gz DMLHLLGCMPYSAC-UHFFFAOYSA-N 0 0 449.579 7.082 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3ccc(F)cc3)n2)cc1 ZINC000021659596 525714208 /nfs/dbraw/zinc/71/42/08/525714208.db2.gz IKFQYNBBSDYLNF-UHFFFAOYSA-N 0 0 446.913 5.962 50 0 IKAARN Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1 ZINC000012249954 525714827 /nfs/dbraw/zinc/71/48/27/525714827.db2.gz OBPDNCIUXCNRDG-UHFFFAOYSA-N 0 0 425.513 6.366 50 0 IKAARN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000012431142 525715140 /nfs/dbraw/zinc/71/51/40/525715140.db2.gz AKWFYJJRIDMFEB-UHFFFAOYSA-N 0 0 436.502 5.491 50 0 IKAARN COc1cccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)c1 ZINC000032955139 525718067 /nfs/dbraw/zinc/71/80/67/525718067.db2.gz DGGIVZSSZMRKMU-UHFFFAOYSA-N 0 0 429.364 6.372 50 0 IKAARN CSCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 ZINC000012299948 525724242 /nfs/dbraw/zinc/72/42/42/525724242.db2.gz OBQIWFVGZKKBGU-LJQANCHMSA-N 0 0 435.545 5.670 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)c3ccccc3n2)c(C)c1 ZINC000012483605 525726603 /nfs/dbraw/zinc/72/66/03/525726603.db2.gz OYVVJXQKDZDBAA-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000037385495 525726728 /nfs/dbraw/zinc/72/67/28/525726728.db2.gz MTGDNXLWLPTIGR-UHFFFAOYSA-N 0 0 434.521 5.044 50 0 IKAARN COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)c2ccco2)C2CC2)c1 ZINC000012128950 525729469 /nfs/dbraw/zinc/72/94/69/525729469.db2.gz OYMRFYVUXSJUFB-UHFFFAOYSA-N 0 0 444.556 6.030 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4Cl)nc3n2)cc1 ZINC000021660503 525730781 /nfs/dbraw/zinc/73/07/81/525730781.db2.gz VACJRHSJGBVDSH-UHFFFAOYSA-N 0 0 431.805 5.024 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc3)no2)c(C)c1 ZINC000036012357 525731399 /nfs/dbraw/zinc/73/13/99/525731399.db2.gz NSWQVTZGTAEGIA-UHFFFAOYSA-N 0 0 440.499 5.530 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OCc4ccc(Cl)cc4)c3n2)cc1 ZINC000021789040 525731413 /nfs/dbraw/zinc/73/14/13/525731413.db2.gz AJHWGAJZZSXJJD-UHFFFAOYSA-N 0 0 445.828 5.734 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)nc3sc4c(nc(-c5ccc(C)cc5)[nH]c4=O)c32)cc1 ZINC000035678049 525732087 /nfs/dbraw/zinc/73/20/87/525732087.db2.gz FDPIOMPPYMOQPT-UHFFFAOYSA-N 0 0 433.483 6.421 50 0 IKAARN COc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3cccc(OC)c3)c2C)c1 ZINC000017100851 525732181 /nfs/dbraw/zinc/73/21/81/525732181.db2.gz YGBWGWQFZQAPPK-UHFFFAOYSA-N 0 0 436.914 6.384 50 0 IKAARN COc1cccc(-c2noc(CCN(C(=O)/C=C/c3ccccc3)C3CCCCC3)n2)c1 ZINC000035845349 525735827 /nfs/dbraw/zinc/73/58/27/525735827.db2.gz LSYPGVCLSQLGOS-FOCLMDBBSA-N 0 0 431.536 5.162 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4ccc(C(C)C)cc4)c3)ncn2)cc1 ZINC000033010596 525737505 /nfs/dbraw/zinc/73/75/05/525737505.db2.gz CAGFSTPXJBFCJN-UHFFFAOYSA-N 0 0 436.559 6.249 50 0 IKAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)nn2)cc1 ZINC000035398098 525753115 /nfs/dbraw/zinc/75/31/15/525753115.db2.gz SGMIYYNQGBBQNZ-SFHVURJKSA-N 0 0 440.469 5.326 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021527649 525758375 /nfs/dbraw/zinc/75/83/75/525758375.db2.gz OAAGGKJBFJMASW-VWLOTQADSA-N 0 0 437.971 5.185 50 0 IKAARN CSCc1nc2ccccc2n1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009889908 525765853 /nfs/dbraw/zinc/76/58/53/525765853.db2.gz MADLUWURPODEFP-QFIPXVFZSA-N 0 0 425.554 5.006 50 0 IKAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000021034303 525768773 /nfs/dbraw/zinc/76/87/73/525768773.db2.gz QGEZTRRJCCDUOF-UHFFFAOYSA-N 0 0 433.327 5.091 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047548 525769297 /nfs/dbraw/zinc/76/92/97/525769297.db2.gz HNFLGPVXINMINQ-HSZRJFAPSA-N 0 0 437.008 6.768 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890928 525769708 /nfs/dbraw/zinc/76/97/08/525769708.db2.gz VVUQLDKMTLKVOL-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021536148 525769936 /nfs/dbraw/zinc/76/99/36/525769936.db2.gz CNPREAJLMXNMKE-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000032975179 525770692 /nfs/dbraw/zinc/77/06/92/525770692.db2.gz LIGVDDZKTKAYPA-UHFFFAOYSA-N 0 0 431.323 5.763 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021536147 525771005 /nfs/dbraw/zinc/77/10/05/525771005.db2.gz CNPREAJLMXNMKE-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915536 525776870 /nfs/dbraw/zinc/77/68/70/525776870.db2.gz KAPFLFNMIZCKKF-UHFFFAOYSA-N 0 0 433.939 5.737 50 0 IKAARN Cc1ccc(-c2csc(C=C3SCC(=O)N3CC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000012622392 525779004 /nfs/dbraw/zinc/77/90/04/525779004.db2.gz FEGUFLAZDAJSJP-YVNNLAQVSA-N 0 0 440.977 5.529 50 0 IKAARN Cc1ccc(-c2csc(Cc3nc(O)c(CC(=O)Nc4ccccc4C)s3)n2)cc1 ZINC000012793430 525779101 /nfs/dbraw/zinc/77/91/01/525779101.db2.gz OHJNFCSTBRNYDS-IBGZPJMESA-N 0 0 435.574 5.039 50 0 IKAARN COc1cccc(/N=c2\oc3cc(OC)ccc3cc2S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000012437432 525779323 /nfs/dbraw/zinc/77/93/23/525779323.db2.gz BGJUJFBDPHWLAL-QPLCGJKRSA-N 0 0 449.528 5.132 50 0 IKAARN Cc1ccc(-c2csc(N3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000012462019 525781936 /nfs/dbraw/zinc/78/19/36/525781936.db2.gz NDBMYIRXTKGFQY-UHFFFAOYSA-N 0 0 435.637 5.374 50 0 IKAARN Cc1ccc(-c2csc(SCc3noc(CCC(=O)Nc4ccccc4)n3)n2)cc1 ZINC000033087413 525786087 /nfs/dbraw/zinc/78/60/87/525786087.db2.gz FUBAXLPRBLETLZ-UHFFFAOYSA-N 0 0 436.562 5.365 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5Cl)no4)c(=O)c23)cc1 ZINC000012879489 525787620 /nfs/dbraw/zinc/78/76/20/525787620.db2.gz GQXRKRZSYXAZKW-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN Cc1ccc(-c2nc(S[C@H](CC(=O)NCc3ccccc3)c3ccccc3)n[nH]2)cc1 ZINC000012176556 525789460 /nfs/dbraw/zinc/78/94/60/525789460.db2.gz JODFCOMYUXBTIZ-JOCHJYFZSA-N 0 0 428.561 5.320 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)n[nH]2)cc1 ZINC000012600343 525791316 /nfs/dbraw/zinc/79/13/16/525791316.db2.gz DCXFSTPQAVKQCK-NRFANRHFSA-N 0 0 442.544 5.039 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035945760 525792327 /nfs/dbraw/zinc/79/23/27/525792327.db2.gz WXVNPSQCTMOQEJ-QFIPXVFZSA-N 0 0 439.987 5.221 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1C1CCCCC1 ZINC000021869223 525792328 /nfs/dbraw/zinc/79/23/28/525792328.db2.gz CWEQDEXRCJXSKN-MHZLTWQESA-N 0 0 433.596 5.151 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C(C)C)c1 ZINC000035718987 525792888 /nfs/dbraw/zinc/79/28/88/525792888.db2.gz JFWXSJIGLZOQRQ-UHFFFAOYSA-N 0 0 438.593 5.905 50 0 IKAARN Cc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c(C)c1 ZINC000021784260 525793099 /nfs/dbraw/zinc/79/30/99/525793099.db2.gz KEHULFJTWHGALQ-INIZCTEOSA-N 0 0 425.941 5.219 50 0 IKAARN COc1cccc(C(=O)N(Cc2nccn2Cc2ccc(Cl)cc2Cl)C(C)C)c1 ZINC000035979649 525793170 /nfs/dbraw/zinc/79/31/70/525793170.db2.gz BCIUKJHEJPUEBF-UHFFFAOYSA-N 0 0 432.351 5.298 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035949296 525793491 /nfs/dbraw/zinc/79/34/91/525793491.db2.gz DZBLZAVLKVXROY-DEOSSOPVSA-N 0 0 433.596 5.184 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000020386678 525793502 /nfs/dbraw/zinc/79/35/02/525793502.db2.gz IMJCBQOJYRKZRT-SANMLTNESA-N 0 0 438.999 5.179 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(F)cc1 ZINC000021527596 525793852 /nfs/dbraw/zinc/79/38/52/525793852.db2.gz DNEYDIQDVKQLGU-MHZLTWQESA-N 0 0 447.554 5.034 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1c1cccc(Cl)c1 ZINC000021526437 525794689 /nfs/dbraw/zinc/79/46/89/525794689.db2.gz FEYBUDMIWZLSKL-DEOSSOPVSA-N 0 0 439.943 5.146 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(F)c1 ZINC000020903299 525796232 /nfs/dbraw/zinc/79/62/32/525796232.db2.gz HQYZIIAUEYGSRE-MHZLTWQESA-N 0 0 447.554 5.429 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1NC(=O)c1ccco1 ZINC000032975262 525796508 /nfs/dbraw/zinc/79/65/08/525796508.db2.gz GXHMBYRPKSODRO-UHFFFAOYSA-N 0 0 442.519 5.794 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000015675585 525796362 /nfs/dbraw/zinc/79/63/62/525796362.db2.gz OEXOBNHQSKPYMT-SANMLTNESA-N 0 0 439.600 5.401 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000035927621 525803919 /nfs/dbraw/zinc/80/39/19/525803919.db2.gz HEKSGJGHZMKVSY-FYSMJZIKSA-N 0 0 442.600 6.314 50 0 IKAARN Cc1ccc(-c2nc(C)c(C)c(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000035889959 525805227 /nfs/dbraw/zinc/80/52/27/525805227.db2.gz FVDWKUZCCSTNGK-UHFFFAOYSA-N 0 0 436.559 5.184 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(N3CCC(O)(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000023459329 525824993 /nfs/dbraw/zinc/82/49/93/525824993.db2.gz RECMELCEUGDKTM-UHFFFAOYSA-N 0 0 429.951 5.747 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc(=O)c3c2)c1 ZINC000009660214 525833983 /nfs/dbraw/zinc/83/39/83/525833983.db2.gz NGMLBTRBKZBJQQ-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 IKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)n2)cc1 ZINC000035527247 525835310 /nfs/dbraw/zinc/83/53/10/525835310.db2.gz SXISYAYVFNMBAV-UHFFFAOYSA-N 0 0 439.471 5.268 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)c1 ZINC000035928635 525837092 /nfs/dbraw/zinc/83/70/92/525837092.db2.gz MAHKFGDJDSBMMH-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000032974924 525841232 /nfs/dbraw/zinc/84/12/32/525841232.db2.gz ANLJCHUTTDBUID-HSZRJFAPSA-N 0 0 437.587 5.918 50 0 IKAARN Cc1ccc(-c2nnc(-c3nc(-c4ccccc4)oc3Sc3ccc(Cl)cc3)o2)cc1 ZINC000041154355 525842936 /nfs/dbraw/zinc/84/29/36/525842936.db2.gz GKUUNFRIHHIEJK-UHFFFAOYSA-N 0 0 445.931 7.172 50 0 IKAARN Cc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc32)cc1 ZINC000012436851 525851807 /nfs/dbraw/zinc/85/18/07/525851807.db2.gz ATWDFBNMCMEVHY-UHFFFAOYSA-N 0 0 427.511 6.688 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000012854515 525856395 /nfs/dbraw/zinc/85/63/95/525856395.db2.gz XVKOYKQMZPAVGQ-UHFFFAOYSA-N 0 0 429.545 5.385 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 ZINC000012195591 525858136 /nfs/dbraw/zinc/85/81/36/525858136.db2.gz IYMXEFRARXEVOL-JTHBVZDNSA-N 0 0 426.850 5.869 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccc(C)cc3)C2)c1 ZINC000021147697 525858151 /nfs/dbraw/zinc/85/81/51/525858151.db2.gz HIGHMPVRXKGBOR-UHFFFAOYSA-N 0 0 443.572 5.608 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)c1 ZINC000012196710 525858296 /nfs/dbraw/zinc/85/82/96/525858296.db2.gz WOAILKNGXYOOAL-RCZVLFRGSA-N 0 0 432.545 5.668 50 0 IKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)cc1 ZINC000012569684 525858975 /nfs/dbraw/zinc/85/89/75/525858975.db2.gz OQQXSKJMHYGEEM-UONOGXRCSA-N 0 0 438.578 6.135 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 ZINC000012195597 525858981 /nfs/dbraw/zinc/85/89/81/525858981.db2.gz IYMXEFRARXEVOL-FYYLOGMGSA-N 0 0 426.850 5.869 50 0 IKAARN Cc1c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000021196080 525862062 /nfs/dbraw/zinc/86/20/62/525862062.db2.gz XWGYGZAWQVTTHS-UHFFFAOYSA-N 0 0 441.409 5.016 50 0 IKAARN Cc1c(NC(=O)c2cnc(Cl)c(Cl)c2)cccc1C(=O)N1CCc2sccc2C1 ZINC000012918023 525865263 /nfs/dbraw/zinc/86/52/63/525865263.db2.gz LQBDWCJTSLNUEL-UHFFFAOYSA-N 0 0 446.359 5.209 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccccc2C)cc1 ZINC000033115640 525866993 /nfs/dbraw/zinc/86/69/93/525866993.db2.gz KJUSXSLAYJGTDV-AREMUKBSSA-N 0 0 428.557 5.388 50 0 IKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000023435768 525867517 /nfs/dbraw/zinc/86/75/17/525867517.db2.gz UDSVGLBOTXTMAP-AREMUKBSSA-N 0 0 429.991 6.635 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000021536644 525868293 /nfs/dbraw/zinc/86/82/93/525868293.db2.gz DEZANXAITVNHLI-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)n2)cc1 ZINC000012857590 525882559 /nfs/dbraw/zinc/88/25/59/525882559.db2.gz OTLVTGNHUIVKCZ-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012616355 525883463 /nfs/dbraw/zinc/88/34/63/525883463.db2.gz QYUSSMQBUHWCPX-OAHLLOKOSA-N 0 0 428.315 5.696 50 0 IKAARN C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1cccc(Cl)c1Cl ZINC000012854611 525884974 /nfs/dbraw/zinc/88/49/74/525884974.db2.gz JLFTXUJTOSUIMP-CYBMUJFWSA-N 0 0 434.319 5.015 50 0 IKAARN C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012596070 525888751 /nfs/dbraw/zinc/88/87/51/525888751.db2.gz GAGVHDJSHCKWMW-GFCCVEGCSA-N 0 0 432.303 5.341 50 0 IKAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000012568857 525895954 /nfs/dbraw/zinc/89/59/54/525895954.db2.gz SFMZABOHXHLYHZ-NDEPHWFRSA-N 0 0 449.510 5.059 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OCc2ccccc2)cc1 ZINC000035848022 525898237 /nfs/dbraw/zinc/89/82/37/525898237.db2.gz QNNLJETVYWICRV-UHFFFAOYSA-N 0 0 429.545 5.002 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccc2)cc1C ZINC000012565651 525900435 /nfs/dbraw/zinc/90/04/35/525900435.db2.gz YVWKPLZTRKDYTD-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2-c2ccc(F)cc2)cc1 ZINC000035847850 525901035 /nfs/dbraw/zinc/90/10/35/525901035.db2.gz YGPKKXZZRSTAGN-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2F)cc1 ZINC000035847834 525901491 /nfs/dbraw/zinc/90/14/91/525901491.db2.gz KTMNRUUZDVJAKZ-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cn3)nnc2-c2ccccc2)cc1C ZINC000015981071 525903119 /nfs/dbraw/zinc/90/31/19/525903119.db2.gz GPJNFACWLWRBMU-UHFFFAOYSA-N 0 0 426.467 6.116 50 0 IKAARN COc1cccc(CC[C@]2(O)CCC[C@@H]3[C@@H]2CCC[C@]3(O)CCc2cccc(OC)c2)c1 ZINC000034914717 525903801 /nfs/dbraw/zinc/90/38/01/525903801.db2.gz IPWGEHIMZTUZSY-KXSOJQAOSA-N 0 0 438.608 5.332 50 0 IKAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)N(C)c4cc(Cl)ccc4C)CC3)cn2)cc1C ZINC000035403579 525906896 /nfs/dbraw/zinc/90/68/96/525906896.db2.gz SZSQNCAYKYKPEC-UHFFFAOYSA-N 0 0 448.998 5.203 50 0 IKAARN 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)[C@@H]2O ZINC000253508568 525913763 /nfs/dbraw/zinc/91/37/63/525913763.db2.gz WHQRSVDLJNJCEK-CURGQYMBSA-N 0 0 449.462 6.751 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000015839705 525925313 /nfs/dbraw/zinc/92/53/13/525925313.db2.gz LFOLPLFWLWNEBW-CQSZACIVSA-N 0 0 445.350 5.384 50 0 IKAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C1N=NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000017097575 525925508 /nfs/dbraw/zinc/92/55/08/525925508.db2.gz OXYZHLMJMISLPO-INIZCTEOSA-N 0 0 431.517 5.134 50 0 IKAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000012111579 525928980 /nfs/dbraw/zinc/92/89/80/525928980.db2.gz NLUAEVJTIMXVNM-MBSDFSHPSA-N 0 0 429.988 5.613 50 0 IKAARN Cc1ccc([C@H](CC(=O)NCc2ccc3c(c2)OCO3)c2cn(C)c3ccccc23)cc1 ZINC000035891665 525951606 /nfs/dbraw/zinc/95/16/06/525951606.db2.gz JRRGSKIFLNKIDH-QFIPXVFZSA-N 0 0 426.516 5.054 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN([C@H](C)c1ccccc1)C3 ZINC000020610347 525962151 /nfs/dbraw/zinc/96/21/51/525962151.db2.gz AUYLVDVNNTYPBM-HXUWFJFHSA-N 0 0 425.528 5.914 50 0 biogenic IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(CCc1ccc(F)cc1)CO3 ZINC000020502881 525966000 /nfs/dbraw/zinc/96/60/00/525966000.db2.gz PSBRDPUWTUNEGQ-UHFFFAOYSA-N 0 0 429.491 5.226 50 0 IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000022993849 525968107 /nfs/dbraw/zinc/96/81/07/525968107.db2.gz JNMNXWIRRFJMQZ-UHFFFAOYSA-N 0 0 432.907 5.146 50 0 IKAARN C[C@@H](SCc1nc(-c2cccs2)no1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012868451 525979715 /nfs/dbraw/zinc/97/97/15/525979715.db2.gz RVIMWJPMZXVZNT-SNVBAGLBSA-N 0 0 442.547 5.351 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)c1 ZINC000021892930 525982567 /nfs/dbraw/zinc/98/25/67/525982567.db2.gz RETXXTNBCJBFEV-HHHXNRCGSA-N 0 0 437.543 5.609 50 0 IKAARN Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c(C)c1 ZINC000021784263 525986723 /nfs/dbraw/zinc/98/67/23/525986723.db2.gz KEHULFJTWHGALQ-MRXNPFEDSA-N 0 0 425.941 5.219 50 0 IKAARN C[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)c1nnc(-c2cccs2)o1 ZINC000012697605 526001264 /nfs/dbraw/zinc/00/12/64/526001264.db2.gz TZKPXENVNCTLOF-SECBINFHSA-N 0 0 434.344 5.199 50 0 IKAARN C[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000012546473 526003261 /nfs/dbraw/zinc/00/32/61/526003261.db2.gz VKRIDSWXQSREQD-QGZVFWFLSA-N 0 0 447.991 5.808 50 0 IKAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1nnc(-c2cccs2)o1 ZINC000012573533 526004209 /nfs/dbraw/zinc/00/42/09/526004209.db2.gz ISDMZGTXKYBWGO-SNVBAGLBSA-N 0 0 433.356 5.804 50 0 IKAARN C[C@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000020882546 526005970 /nfs/dbraw/zinc/00/59/70/526005970.db2.gz LBFKGZGDTMRTFY-ZDUSSCGKSA-N 0 0 435.530 5.206 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccnc2)o1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000022149192 526007821 /nfs/dbraw/zinc/00/78/21/526007821.db2.gz QDMHWMCRHBNLIR-SNVBAGLBSA-N 0 0 439.547 5.011 50 0 IKAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000015278565 526008996 /nfs/dbraw/zinc/00/89/96/526008996.db2.gz UXUOWKIMDTXHOE-KRWDZBQOSA-N 0 0 439.544 5.233 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012679082 526010260 /nfs/dbraw/zinc/01/02/60/526010260.db2.gz CLPZUAQAFNMKCQ-INIZCTEOSA-N 0 0 446.601 6.128 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012511382 526010359 /nfs/dbraw/zinc/01/03/59/526010359.db2.gz QYBILFITAVCJBP-MRXNPFEDSA-N 0 0 448.592 5.493 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000012592356 526011355 /nfs/dbraw/zinc/01/13/55/526011355.db2.gz MCZAIEDUWMCLBD-OAHLLOKOSA-N 0 0 435.940 5.102 50 0 IKAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1nc2ccccc2s1 ZINC000012810103 526012261 /nfs/dbraw/zinc/01/22/61/526012261.db2.gz JCDQLHLLVNIAJA-CYBMUJFWSA-N 0 0 442.997 6.308 50 0 IKAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012776340 526015027 /nfs/dbraw/zinc/01/50/27/526015027.db2.gz MDVVWIVYFOJTCN-NSHDSACASA-N 0 0 441.906 6.063 50 0 IKAARN CSc1ccc(NC(=O)N2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1 ZINC000014963654 526030514 /nfs/dbraw/zinc/03/05/14/526030514.db2.gz VYKGNPSUUGPCJT-UHFFFAOYSA-N 0 0 449.580 5.035 50 0 IKAARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4)cccn3c2=O)nn1-c1ccccc1C ZINC000035911352 526037770 /nfs/dbraw/zinc/03/77/70/526037770.db2.gz HCXTZTSYAXDHEI-UHFFFAOYSA-N 0 0 436.515 5.051 50 0 IKAARN Cc1cc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3c(C)noc3n2)c(C)o1 ZINC000021970497 526038273 /nfs/dbraw/zinc/03/82/73/526038273.db2.gz LJQOPZBKIQMSDZ-UHFFFAOYSA-N 0 0 429.520 5.503 50 0 IKAARN Cc1ccc(C(=O)CCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 ZINC000014503284 526039604 /nfs/dbraw/zinc/03/96/04/526039604.db2.gz UPXFXSLGGXSLQD-UHFFFAOYSA-N 0 0 443.572 5.248 50 0 IKAARN Cc1cc(-c2cc(C(=O)N[C@@H]3CCOc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000012901526 526039878 /nfs/dbraw/zinc/03/98/78/526039878.db2.gz ZSHQXGPYTDKMIT-OAQYLSRUSA-N 0 0 430.508 5.143 50 0 IKAARN C[C@H](C(=O)NCCC1=CCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562065 526042329 /nfs/dbraw/zinc/04/23/29/526042329.db2.gz MDJLNNIORVBDDO-KRWDZBQOSA-N 0 0 442.003 5.316 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Br)cc2)cc1 ZINC000015822547 526046641 /nfs/dbraw/zinc/04/66/41/526046641.db2.gz NUXDHKFLBSCVJI-DEOSSOPVSA-N 0 0 445.360 6.027 50 0 biogenic IKAARN Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1Cc1ccc(F)cc1 ZINC000012910094 526047522 /nfs/dbraw/zinc/04/75/22/526047522.db2.gz JHGCQCPIYUYZOH-UHFFFAOYSA-N 0 0 433.552 5.275 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000021536604 526048231 /nfs/dbraw/zinc/04/82/31/526048231.db2.gz SDOGUHVIBDFYLT-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021892731 526048292 /nfs/dbraw/zinc/04/82/92/526048292.db2.gz ZEUKALUUZLIEFI-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000021536639 526048737 /nfs/dbraw/zinc/04/87/37/526048737.db2.gz KZPZJSOSOZCNRT-LJAQVGFWSA-N 0 0 447.582 6.802 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021536652 526049472 /nfs/dbraw/zinc/04/94/72/526049472.db2.gz RUSVJGACMXPIAJ-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000023426295 526049602 /nfs/dbraw/zinc/04/96/02/526049602.db2.gz MIVIZUWPTNFYRB-QFIPXVFZSA-N 0 0 427.491 6.395 50 0 IKAARN COc1cccc(COc2cccc(-c3nc(C(=O)Nc4ccc(F)cc4)cs3)c2)c1 ZINC000035895642 526060326 /nfs/dbraw/zinc/06/03/26/526060326.db2.gz GNXLZNJSQAGSED-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN Cc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1NC(=O)c1ccco1 ZINC000012683727 526060737 /nfs/dbraw/zinc/06/07/37/526060737.db2.gz SMSFVRFFEXOTQR-UHFFFAOYSA-N 0 0 448.906 6.026 50 0 IKAARN C[C@@H](c1ccc2c(c1)OCCO2)N(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000012442449 526062915 /nfs/dbraw/zinc/06/29/15/526062915.db2.gz MENBTDISMSLURN-IBGZPJMESA-N 0 0 441.531 5.214 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(N(C)C)c2)cc1 ZINC000021715577 526064997 /nfs/dbraw/zinc/06/49/97/526064997.db2.gz CQZCPCNLZQVLBE-AREMUKBSSA-N 0 0 441.600 5.744 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000021715588 526065674 /nfs/dbraw/zinc/06/56/74/526065674.db2.gz PXISPNGNVHKXLB-AREMUKBSSA-N 0 0 441.600 5.744 50 0 IKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021536219 526067314 /nfs/dbraw/zinc/06/73/14/526067314.db2.gz UZVHKJANKOOQNG-AREMUKBSSA-N 0 0 439.584 6.645 50 0 IKAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035911019 526068208 /nfs/dbraw/zinc/06/82/08/526068208.db2.gz SQYKFFVBODRZDW-UHFFFAOYSA-N 0 0 443.355 5.993 50 0 IKAARN COc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)n2C)c1 ZINC000032952667 526068498 /nfs/dbraw/zinc/06/84/98/526068498.db2.gz AEDSGIMZHYJNJI-UHFFFAOYSA-N 0 0 441.603 5.125 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035839983 526071098 /nfs/dbraw/zinc/07/10/98/526071098.db2.gz DEOKRWMGBDWGOL-UHFFFAOYSA-N 0 0 431.439 5.847 50 0 IKAARN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 ZINC000022415092 526073819 /nfs/dbraw/zinc/07/38/19/526073819.db2.gz OGSNJSLJGHHKCJ-INIZCTEOSA-N 0 0 448.375 5.646 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cc(-c3ccc(F)cc3)on2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036012109 526074585 /nfs/dbraw/zinc/07/45/85/526074585.db2.gz GMWWVZATQTXGJS-UHFFFAOYSA-N 0 0 444.462 5.360 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CC=CCC3)c2)Cc2ccccn2)s1 ZINC000012217555 526076209 /nfs/dbraw/zinc/07/62/09/526076209.db2.gz BFKBHYJJGPGOAO-OAQYLSRUSA-N 0 0 432.589 6.029 50 0 IKAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2ccc(C(F)(F)F)cc2)CC2CC2)cc1 ZINC000035981348 526076631 /nfs/dbraw/zinc/07/66/31/526076631.db2.gz CMSNEUFYKRQKTJ-UHFFFAOYSA-N 0 0 427.470 5.311 50 0 IKAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(C)cc2)c1 ZINC000033068688 526084253 /nfs/dbraw/zinc/08/42/53/526084253.db2.gz IBFKELWLIXHPNJ-UHFFFAOYSA-N 0 0 429.545 5.268 50 0 IKAARN CSc1cccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023460928 526087398 /nfs/dbraw/zinc/08/73/98/526087398.db2.gz GKQSPANYDHNFTA-UHFFFAOYSA-N 0 0 445.563 6.042 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035944081 526087885 /nfs/dbraw/zinc/08/78/85/526087885.db2.gz WKFYAKPWJLIEPX-FQEVSTJZSA-N 0 0 449.639 6.017 50 0 IKAARN Cc1ccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1F ZINC000023457502 526088945 /nfs/dbraw/zinc/08/89/45/526088945.db2.gz GUAKHUKUAYUDQU-UHFFFAOYSA-N 0 0 431.486 5.767 50 0 IKAARN Cc1ccc([P@](=NS(=O)(=O)c2ccc(C)cc2)(Oc2ccccc2)C(C)(C)C)o1 ZINC000012575450 526089209 /nfs/dbraw/zinc/08/92/09/526089209.db2.gz VBRBFBQCBPQGPL-NDEPHWFRSA-N 0 0 431.494 5.904 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000020902840 526091389 /nfs/dbraw/zinc/09/13/89/526091389.db2.gz BOFKLBCZMBJPMW-UZTOHYMASA-N 0 0 429.564 5.066 50 0 IKAARN C[C@H](c1ccccc1)N(CCC(=O)Nc1nnc(-c2ccccc2)s1)C(=O)C1CCCC1 ZINC000035700709 526094338 /nfs/dbraw/zinc/09/43/38/526094338.db2.gz MAHXJWLROAJKMA-GOSISDBHSA-N 0 0 448.592 5.314 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035944077 526094350 /nfs/dbraw/zinc/09/43/50/526094350.db2.gz NXXKADDNXJEAQR-LJQANCHMSA-N 0 0 447.579 5.734 50 0 IKAARN Cc1ccc2[nH]c(=O)cc(CSc3nc4cc(C(F)(F)F)ccc4n3C3CC3)c2c1 ZINC000012462595 526095239 /nfs/dbraw/zinc/09/52/39/526095239.db2.gz RECPURFFORPKIU-UHFFFAOYSA-N 0 0 429.467 5.832 50 0 biogenic,in-vitro IKAARN C[C@@H](c1ccccc1)n1cnc2c1c(=O)n(C1CCCCC1)c(=O)n2-c1ccccc1Cl ZINC000034694106 526097712 /nfs/dbraw/zinc/09/77/12/526097712.db2.gz AZQKPXGCJNWGNT-KRWDZBQOSA-N 0 0 448.954 5.117 50 0 IKAARN Cc1ccc2[nH]c(C(=O)N3CCc4ccccc4C3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021362093 526097765 /nfs/dbraw/zinc/09/77/65/526097765.db2.gz LNLOZSAPELNHBF-UHFFFAOYSA-N 0 0 427.479 5.066 50 0 IKAARN COc1cccc(Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400883 526108693 /nfs/dbraw/zinc/10/86/93/526108693.db2.gz KNYZEGHGKPQTQN-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN COc1cccc(Cn2cnc3c4ccccc4n(Cc4ccccc4Cl)c3c2=O)c1 ZINC000035400270 526110646 /nfs/dbraw/zinc/11/06/46/526110646.db2.gz FKAXMIQLPFJOMJ-UHFFFAOYSA-N 0 0 429.907 5.110 50 0 IKAARN Cc1ccc2[nH]cc(CCNC(=O)Cn3c(-c4cccs4)cc4cc(Cl)ccc43)c2c1 ZINC000035373612 526114228 /nfs/dbraw/zinc/11/42/28/526114228.db2.gz ODIVJWJYJPNNDT-UHFFFAOYSA-N 0 0 447.991 6.172 50 0 IKAARN CSc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000021879778 526123048 /nfs/dbraw/zinc/12/30/48/526123048.db2.gz AJFJLRFSWDZJAP-DEOSSOPVSA-N 0 0 431.536 6.209 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c1 ZINC000021536419 526124857 /nfs/dbraw/zinc/12/48/57/526124857.db2.gz JXDTYPDJMZOCEW-RUZDIDTESA-N 0 0 425.557 6.336 50 0 IKAARN Cc1cc(=O)c(C(=O)NC2CC2)c2n1-c1ccc(Cl)cc1S[C@H](c1ccsc1)C2 ZINC000012149882 526128270 /nfs/dbraw/zinc/12/82/70/526128270.db2.gz LDPQPJXACLSOCL-IBGZPJMESA-N 0 0 442.993 5.143 50 0 IKAARN CSc1cccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128198 526131400 /nfs/dbraw/zinc/13/14/00/526131400.db2.gz UULYMCJEHDUZEO-CQSZACIVSA-N 0 0 445.997 5.036 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 ZINC000012602237 526131601 /nfs/dbraw/zinc/13/16/01/526131601.db2.gz NZXJIWTZDJHOMA-UHFFFAOYSA-N 0 0 429.225 5.886 50 0 IKAARN CSc1cccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128199 526131960 /nfs/dbraw/zinc/13/19/60/526131960.db2.gz UULYMCJEHDUZEO-AWEZNQCLSA-N 0 0 445.997 5.036 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4ccncc4)n3-c3ccccc3)cc(=O)oc2c1C ZINC000012607624 526131971 /nfs/dbraw/zinc/13/19/71/526131971.db2.gz QFZJIRKQGZZBLK-UHFFFAOYSA-N 0 0 440.528 5.345 50 0 IKAARN CSc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000020579049 526135067 /nfs/dbraw/zinc/13/50/67/526135067.db2.gz VPSBXHYQTSXLRX-UHFFFAOYSA-N 0 0 436.968 5.973 50 0 IKAARN CSc1cccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)c1 ZINC000020934759 526135079 /nfs/dbraw/zinc/13/50/79/526135079.db2.gz OOPCBJUUQKRIHT-UHFFFAOYSA-N 0 0 446.597 6.917 50 0 IKAARN COc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc2)c1 ZINC000035927183 526137763 /nfs/dbraw/zinc/13/77/63/526137763.db2.gz ZSIBKCKUORUZDU-XDHUDOTRSA-N 0 0 440.609 5.875 50 0 IKAARN COc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c2)c1 ZINC000035927222 526137993 /nfs/dbraw/zinc/13/79/93/526137993.db2.gz NUOZAFXKALWFKT-MZNJEOGPSA-N 0 0 440.609 5.875 50 0 IKAARN CSc1cccc(NC(=S)N(C2CCN(C(C)=O)CC2)[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000020728515 526139472 /nfs/dbraw/zinc/13/94/72/526139472.db2.gz WCCRSQPMOJIRFA-PNLZDCPESA-N 0 0 433.687 5.243 50 0 IKAARN COc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C[C@H](C)CC(C)(C)C)c2)c1 ZINC000035927223 526140090 /nfs/dbraw/zinc/14/00/90/526140090.db2.gz NUOZAFXKALWFKT-XDHUDOTRSA-N 0 0 440.609 5.875 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(Cl)c1 ZINC000001854736 526143259 /nfs/dbraw/zinc/14/32/59/526143259.db2.gz AESQEDVBCBJQND-UHFFFAOYSA-N 0 0 441.906 5.394 50 0 IKAARN CSc1ccccc1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023455617 526147643 /nfs/dbraw/zinc/14/76/43/526147643.db2.gz VPHGYCCLFQAIPT-UHFFFAOYSA-N 0 0 441.600 5.826 50 0 IKAARN Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)ccc12 ZINC000069532043 526149251 /nfs/dbraw/zinc/14/92/51/526149251.db2.gz LDBYPMDYHMAUQE-UHFFFAOYSA-N 0 0 438.487 5.346 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 ZINC000012062107 526162845 /nfs/dbraw/zinc/16/28/45/526162845.db2.gz IIADXAILRDKHTB-NRFANRHFSA-N 0 0 425.532 5.198 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)NCc3ccccc3)CC1)=N2 ZINC000034814462 526177354 /nfs/dbraw/zinc/17/73/54/526177354.db2.gz KTAWOMUDAUMIBY-UHFFFAOYSA-N 0 0 440.547 5.015 50 0 IKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012797279 526183495 /nfs/dbraw/zinc/18/34/95/526183495.db2.gz JKOSSRJUGPXJQP-GFCCVEGCSA-N 0 0 433.455 5.456 50 0 IKAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccc(C)cc4c32)c1 ZINC000020996468 526183838 /nfs/dbraw/zinc/18/38/38/526183838.db2.gz PWBUKZKTMGZYHZ-UHFFFAOYSA-N 0 0 436.515 5.516 50 0 IKAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(Cl)c2C)c1 ZINC000016991294 526185903 /nfs/dbraw/zinc/18/59/03/526185903.db2.gz DRQCYTXHONOCAF-UHFFFAOYSA-N 0 0 439.947 5.214 50 0 IKAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(F)c(Cl)c2)c1 ZINC000016838778 526186618 /nfs/dbraw/zinc/18/66/18/526186618.db2.gz CUMVJIKERGCACC-UHFFFAOYSA-N 0 0 443.910 5.044 50 0 IKAARN C[C@H](c1nnc(SCc2cc(-c3cccs3)on2)n1-c1ccc(F)cc1)N(C)C ZINC000012558378 526189652 /nfs/dbraw/zinc/18/96/52/526189652.db2.gz NAXCFFPVZGSKJI-CYBMUJFWSA-N 0 0 429.546 5.038 50 0 IKAARN C[C@H](c1nnc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000012554257 526189921 /nfs/dbraw/zinc/18/99/21/526189921.db2.gz JNOUMFJSCLPXCS-KGLIPLIRSA-N 0 0 432.952 5.046 50 0 IKAARN COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1OC ZINC000012344204 526190207 /nfs/dbraw/zinc/19/02/07/526190207.db2.gz SVPAPHYYNSSQOD-FQEVSTJZSA-N 0 0 446.334 5.449 50 0 IKAARN COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1OC ZINC000012344209 526190493 /nfs/dbraw/zinc/19/04/93/526190493.db2.gz SVPAPHYYNSSQOD-HXUWFJFHSA-N 0 0 446.334 5.449 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000035706440 526196533 /nfs/dbraw/zinc/19/65/33/526196533.db2.gz QVNYPMQFDDIQFZ-FQEVSTJZSA-N 0 0 442.588 5.667 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)c1 ZINC000021873321 526201976 /nfs/dbraw/zinc/20/19/76/526201976.db2.gz NOSVXTLJERXCLI-UHFFFAOYSA-N 0 0 430.529 6.203 50 0 IKAARN COc1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(C)cc4)C3=O)c2)c1 ZINC000035180908 526202294 /nfs/dbraw/zinc/20/22/94/526202294.db2.gz YBRXBMYQQRWOSY-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)c2)c1 ZINC000035181114 526202405 /nfs/dbraw/zinc/20/24/05/526202405.db2.gz SHZHNEBATLUWFE-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000012849020 526207486 /nfs/dbraw/zinc/20/74/86/526207486.db2.gz FJBNMYMCCOMGLK-LJQANCHMSA-N 0 0 446.620 5.123 50 0 IKAARN COc1cccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn32)c1 ZINC000021150415 526211871 /nfs/dbraw/zinc/21/18/71/526211871.db2.gz OICNNRNBNDAYIV-UHFFFAOYSA-N 0 0 432.833 6.129 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1Cc1ccccc1 ZINC000012541501 526212112 /nfs/dbraw/zinc/21/21/12/526212112.db2.gz VOIKPIJPASJXAW-UHFFFAOYSA-N 0 0 440.543 5.553 50 0 IKAARN Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1NC(=O)c1nsc2ccccc21 ZINC000035510343 526212454 /nfs/dbraw/zinc/21/24/54/526212454.db2.gz HRDBTZRZLLJKAD-NRFANRHFSA-N 0 0 441.556 5.664 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(C)n1C1CC1 ZINC000012678803 526214693 /nfs/dbraw/zinc/21/46/93/526214693.db2.gz ODPYZZVXJSASDD-UHFFFAOYSA-N 0 0 432.549 5.315 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1Cl ZINC000035400793 526216492 /nfs/dbraw/zinc/21/64/92/526216492.db2.gz XZKIFVOQJZRNKL-IBGZPJMESA-N 0 0 441.962 6.165 50 0 IKAARN CSc1nc2ccc(NC(=O)c3sc(COc4ccc(F)cc4)nc3C)cc2s1 ZINC000012902470 526216789 /nfs/dbraw/zinc/21/67/89/526216789.db2.gz FVGSFHOBNIMHMF-UHFFFAOYSA-N 0 0 445.566 5.754 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1c(F)cccc1Cl ZINC000035400656 526216729 /nfs/dbraw/zinc/21/67/29/526216729.db2.gz JLNOZKGJTQYPDW-UHFFFAOYSA-N 0 0 449.888 5.688 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4cccc5ccccc54)cs2)[C@@H]3CCC1 ZINC000012462607 526216782 /nfs/dbraw/zinc/21/67/82/526216782.db2.gz UREPBFSARWCEKH-AREMUKBSSA-N 0 0 435.596 7.124 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccc(Cl)cc1 ZINC000035400647 526216912 /nfs/dbraw/zinc/21/69/12/526216912.db2.gz AEGKZVXUCKYYPV-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1F ZINC000035400796 526217266 /nfs/dbraw/zinc/21/72/66/526217266.db2.gz DHIWEWUAENDGMZ-LJQANCHMSA-N 0 0 425.507 5.651 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1ccccc1F ZINC000035400852 526217629 /nfs/dbraw/zinc/21/76/29/526217629.db2.gz PRNZULUEOXKELC-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1NC(=O)c1ccccc1 ZINC000020630494 526219711 /nfs/dbraw/zinc/21/97/11/526219711.db2.gz OWTPORFZTHNHCI-UHFFFAOYSA-N 0 0 427.273 5.401 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc4c(c3)CCC4)cc2)cc1 ZINC000035925182 526222645 /nfs/dbraw/zinc/22/26/45/526222645.db2.gz ZZUOYAILTZHBOG-SANMLTNESA-N 0 0 428.557 5.515 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(SCc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 ZINC000021356759 526223033 /nfs/dbraw/zinc/22/30/33/526223033.db2.gz XZARNWHUJRCODO-UHFFFAOYSA-N 0 0 445.500 5.318 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000035928419 526223120 /nfs/dbraw/zinc/22/31/20/526223120.db2.gz AGGWCKHBHHYTJY-VWLOTQADSA-N 0 0 431.561 5.092 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1 ZINC000035927476 526223218 /nfs/dbraw/zinc/22/32/18/526223218.db2.gz VEOWTEULPWNTJB-SANMLTNESA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1 ZINC000035927475 526223368 /nfs/dbraw/zinc/22/33/68/526223368.db2.gz VEOWTEULPWNTJB-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3ccccc3F)c2)cc1 ZINC000037385565 526224540 /nfs/dbraw/zinc/22/45/40/526224540.db2.gz XTYCHGWAOSWUHA-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)c2c1 ZINC000020940053 526231814 /nfs/dbraw/zinc/23/18/14/526231814.db2.gz WTBOHYDOIVMVOY-UHFFFAOYSA-N 0 0 425.532 5.178 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c2c1 ZINC000020940067 526232127 /nfs/dbraw/zinc/23/21/27/526232127.db2.gz DBOHDHHJSOFDFG-UHFFFAOYSA-N 0 0 439.559 5.684 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)c2c1 ZINC000020940149 526232365 /nfs/dbraw/zinc/23/23/65/526232365.db2.gz HUGIDRYVILZRRT-UHFFFAOYSA-N 0 0 425.532 5.178 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1C ZINC000012777669 526240790 /nfs/dbraw/zinc/24/07/90/526240790.db2.gz SNODRRZDEFAUBG-IBGZPJMESA-N 0 0 428.561 5.369 50 0 IKAARN Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4c(ccc5ccccc54)OC(=O)[C@@]32C(=O)c2ccco2)cc1 ZINC000012447547 526241992 /nfs/dbraw/zinc/24/19/92/526241992.db2.gz IZLCZMCKMFJVOT-RNCAPKPVSA-N 0 0 436.463 5.516 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(c4ccccc4F)CC3)c2c1 ZINC000001073389 526242223 /nfs/dbraw/zinc/24/22/23/526242223.db2.gz NISRIRPLWYSTQB-UHFFFAOYSA-N 0 0 425.507 5.312 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)cc(-c3nn4c(Cc5ccccc5)nnc4s3)c2c1 ZINC000012273742 526242325 /nfs/dbraw/zinc/24/23/25/526242325.db2.gz KVYOUDMTTAFTDB-UHFFFAOYSA-N 0 0 433.540 5.967 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4CCc4ccccc4)cc3)sc2c1 ZINC000012537800 526242435 /nfs/dbraw/zinc/24/24/35/526242435.db2.gz IXBHRARTRYQYIO-UHFFFAOYSA-N 0 0 448.591 7.309 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4OCCC(C)C)cc3)sc2c1 ZINC000012137548 526242499 /nfs/dbraw/zinc/24/24/99/526242499.db2.gz LTDWYPCAMPFNSP-UHFFFAOYSA-N 0 0 430.573 6.949 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 ZINC000016014770 526246938 /nfs/dbraw/zinc/24/69/38/526246938.db2.gz FCJVDKHEFMEYAL-UHFFFAOYSA-N 0 0 439.943 5.392 50 0 IKAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3C)cc(=O)n2c1 ZINC000015865494 526250082 /nfs/dbraw/zinc/25/00/82/526250082.db2.gz OWKQPIAFRYDXHV-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2nc(CSc3nnc(-c4ccccc4)n3-c3ccc(C)c(C)c3)cn2c1 ZINC000012546434 526250876 /nfs/dbraw/zinc/25/08/76/526250876.db2.gz JXVPTNCKABUBTH-UHFFFAOYSA-N 0 0 425.561 5.800 50 0 IKAARN Cc1ccc(C)c(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=O)c3ccccc32)c1 ZINC000012896442 526256361 /nfs/dbraw/zinc/25/63/61/526256361.db2.gz NMIQZXBKTJJUEA-UHFFFAOYSA-N 0 0 440.572 5.380 50 0 IKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000020746146 526272114 /nfs/dbraw/zinc/27/21/14/526272114.db2.gz DCJJXZRJTYMYIC-UHFFFAOYSA-N 0 0 440.927 5.540 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCn4c5ccccc5nc43)cc12 ZINC000012754310 526290642 /nfs/dbraw/zinc/29/06/42/526290642.db2.gz XYJJWOUWPBKBON-UHFFFAOYSA-N 0 0 447.951 5.118 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCCc3cccnc3)cc12 ZINC000012606918 526291530 /nfs/dbraw/zinc/29/15/30/526291530.db2.gz YZAUITNZTVNXED-UHFFFAOYSA-N 0 0 445.375 5.129 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000012584192 526295398 /nfs/dbraw/zinc/29/53/98/526295398.db2.gz RJPAFFLNWMWWAS-CCEZHUSRSA-N 0 0 448.998 5.165 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(Br)cc3C)c12 ZINC000036616519 526295646 /nfs/dbraw/zinc/29/56/46/526295646.db2.gz NKNJHWPTANQPMT-UHFFFAOYSA-N 0 0 449.352 5.420 50 0 IKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020615789 526296057 /nfs/dbraw/zinc/29/60/57/526296057.db2.gz IMNBUYIJJUZSJZ-UHFFFAOYSA-N 0 0 447.486 5.076 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3c(Cl)cccc3Cl)c12 ZINC000036616509 526296389 /nfs/dbraw/zinc/29/63/89/526296389.db2.gz JEZJJIQIKVFMCK-UHFFFAOYSA-N 0 0 425.319 5.656 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc(F)c(F)c3F)cc12 ZINC000012569620 526297678 /nfs/dbraw/zinc/29/76/78/526297678.db2.gz NFIBGEKDHFTODL-UHFFFAOYSA-N 0 0 435.858 5.778 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC[C@H]3c3cccnc3)cc12 ZINC000012563417 526297796 /nfs/dbraw/zinc/29/77/96/526297796.db2.gz JEMUYCRHYCQOCL-FQEVSTJZSA-N 0 0 436.968 5.480 50 0 IKAARN Cc1nn(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)c(C)c1Cl ZINC000017094331 526299808 /nfs/dbraw/zinc/29/98/08/526299808.db2.gz SXCUXDNRUQIBHC-UHFFFAOYSA-N 0 0 425.363 6.460 50 0 IKAARN Cc1nn([C@H](C)C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2c3ccccc3sc21 ZINC000020466969 526305326 /nfs/dbraw/zinc/30/53/26/526305326.db2.gz KNDYPFYMFFVROU-RLDIHHFQSA-N 0 0 449.620 5.202 50 0 IKAARN Cc1nn([C@H](C)C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2c3ccccc3sc21 ZINC000020466967 526305896 /nfs/dbraw/zinc/30/58/96/526305896.db2.gz KNDYPFYMFFVROU-IGOGCQELSA-N 0 0 449.620 5.202 50 0 IKAARN O=C(C1CCN(c2ccc(-c3ccco3)nn2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000022494772 526306567 /nfs/dbraw/zinc/30/65/67/526306567.db2.gz NANMDCALROIMNU-UHFFFAOYSA-N 0 0 438.531 5.186 50 0 IKAARN Fc1cc(F)cc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)c1 ZINC000035848170 526306742 /nfs/dbraw/zinc/30/67/42/526306742.db2.gz INILIVSKBRSQCV-UHFFFAOYSA-N 0 0 431.870 6.297 50 0 IKAARN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@@H]1c1cccs1 ZINC000023845257 526308482 /nfs/dbraw/zinc/30/84/82/526308482.db2.gz RQGIBWSSPQFKSY-MRXNPFEDSA-N 0 0 443.922 5.395 50 0 IKAARN Cc1nn2c(ncc(C(=O)NC(c3ccccc3)c3ccccc3)c2C)c1-c1ccccc1 ZINC000035707185 526312896 /nfs/dbraw/zinc/31/28/96/526312896.db2.gz LXOUHVFLBPAQEK-UHFFFAOYSA-N 0 0 432.527 5.533 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3C(=O)c3ccccc3)c2C)c1-c1ccccc1 ZINC000021537940 526313030 /nfs/dbraw/zinc/31/30/30/526313030.db2.gz NBPATYSJXJSOES-UHFFFAOYSA-N 0 0 446.510 5.496 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)c2C)c1-c1ccccc1 ZINC000021537999 526313068 /nfs/dbraw/zinc/31/30/68/526313068.db2.gz OFNUXBXVTVLZIV-UHFFFAOYSA-N 0 0 439.563 5.502 50 0 IKAARN Fc1ccc(-c2csc3ncnc(Sc4nnc(-c5ccccc5Cl)o4)c23)cc1 ZINC000020667091 526314930 /nfs/dbraw/zinc/31/49/30/526314930.db2.gz PYLMLEGFTRCZPM-UHFFFAOYSA-N 0 0 440.912 6.352 50 0 IKAARN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020728947 526315322 /nfs/dbraw/zinc/31/53/22/526315322.db2.gz VQTGHYUXEWYYMK-VWLOTQADSA-N 0 0 445.950 5.436 50 0 IKAARN Fc1ccc(-c2nnc(SCc3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 ZINC000035847841 526318562 /nfs/dbraw/zinc/31/85/62/526318562.db2.gz XFETUGCUANTRKM-UHFFFAOYSA-N 0 0 429.442 6.385 50 0 IKAARN Fc1ccc(-n2c(=S)n(CN3CCC[C@H]3c3cccs3)nc2-c2ccncc2)cc1 ZINC000012544044 526319928 /nfs/dbraw/zinc/31/99/28/526319928.db2.gz LNQKHAHSGDBGIM-IBGZPJMESA-N 0 0 437.569 5.460 50 0 IKAARN Fc1ccc(-n2ncc3c2nc(-c2ccc(Br)cc2)cc3C(F)(F)F)cc1 ZINC000020604736 526320662 /nfs/dbraw/zinc/32/06/62/526320662.db2.gz INIODOBFFSIHKR-UHFFFAOYSA-N 0 0 436.206 6.008 50 0 IKAARN Oc1c2ccccc2cc(-c2ccccc2)c1-c1c(O)c2ccccc2cc1-c1ccccc1 ZINC000033802179 526332890 /nfs/dbraw/zinc/33/28/90/526332890.db2.gz NDTDVKKGYBULHF-UHFFFAOYSA-N 0 0 438.526 8.405 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000016447988 526335411 /nfs/dbraw/zinc/33/54/11/526335411.db2.gz TYWKQYPFMGGCLW-UHFFFAOYSA-N 0 0 428.532 6.230 50 0 IKAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000020602853 526362816 /nfs/dbraw/zinc/36/28/16/526362816.db2.gz JLHGCVVZJNGSQH-QHCPKHFHSA-N 0 0 448.929 5.441 50 0 IKAARN Fc1ccc([C@H](Nc2ccc(OC(F)(F)F)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020602831 526366784 /nfs/dbraw/zinc/36/67/84/526366784.db2.gz MBSDIBPTSHVIGZ-IBGZPJMESA-N 0 0 429.373 5.976 50 0 IKAARN O=C(NCCSCc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002980769 526372231 /nfs/dbraw/zinc/37/22/31/526372231.db2.gz SMHDHLFVQKTSFB-UHFFFAOYSA-N 0 0 428.022 6.296 50 0 IKAARN S=C(Nc1cc(Cl)cc(Cl)c1)N(Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000020212542 526385994 /nfs/dbraw/zinc/38/59/94/526385994.db2.gz SPKUOBQENQMWTH-UHFFFAOYSA-N 0 0 432.420 7.006 50 0 IKAARN S=C(c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)N1CCCCC1 ZINC000015230805 526387511 /nfs/dbraw/zinc/38/75/11/526387511.db2.gz XQWPODBAVQSKES-UHFFFAOYSA-N 0 0 440.406 6.343 50 0 IKAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1Cc1ccccc1 ZINC000012686549 526387750 /nfs/dbraw/zinc/38/77/50/526387750.db2.gz FTNVPEWHXDENDA-SFHVURJKSA-N 0 0 428.561 5.421 50 0 IKAARN S=c1n(CN2CCC(c3nc4ccccc4o3)CC2)nc(C2CC2)n1-c1ccccc1 ZINC000022340720 526388134 /nfs/dbraw/zinc/38/81/34/526388134.db2.gz NUAWHAQWUNCDOU-UHFFFAOYSA-N 0 0 431.565 5.259 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1C1CCCCC1 ZINC000008862335 526388240 /nfs/dbraw/zinc/38/82/40/526388240.db2.gz QBPMWFVOYYIREJ-XMMPIXPASA-N 0 0 430.577 6.289 50 0 IKAARN S=c1oc(-c2ccc3c(c2)OCO3)nn1CN(Cc1ccccc1)Cc1ccccc1 ZINC000012604268 526388287 /nfs/dbraw/zinc/38/82/87/526388287.db2.gz DCKDSANJVOAISP-UHFFFAOYSA-N 0 0 431.517 5.261 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)n1-c1ccccc1 ZINC000009664052 526388913 /nfs/dbraw/zinc/38/89/13/526388913.db2.gz CWBZHEZPVUKSLW-QHCPKHFHSA-N 0 0 428.561 5.665 50 0 IKAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1Cc1ccccc1 ZINC000012686544 526389687 /nfs/dbraw/zinc/38/96/87/526389687.db2.gz FTNVPEWHXDENDA-GOSISDBHSA-N 0 0 428.561 5.421 50 0 IKAARN Fc1cccc(F)c1CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035840259 526395144 /nfs/dbraw/zinc/39/51/44/526395144.db2.gz GNRSUHDKURETEJ-UHFFFAOYSA-N 0 0 438.286 6.405 50 0 IKAARN c1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000012551215 526396456 /nfs/dbraw/zinc/39/64/56/526396456.db2.gz FREBEGNBXOIQFZ-UHFFFAOYSA-N 0 0 439.522 6.658 50 0 IKAARN Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 ZINC000012530379 526399292 /nfs/dbraw/zinc/39/92/92/526399292.db2.gz VGIYQLRVSLYQNB-SECBINFHSA-N 0 0 430.407 6.001 50 0 IKAARN Cc1csc(S[C@@H](C)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 ZINC000012530382 526399333 /nfs/dbraw/zinc/39/93/33/526399333.db2.gz VGIYQLRVSLYQNB-VIFPVBQESA-N 0 0 430.407 6.001 50 0 IKAARN c1c([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000012558308 526401513 /nfs/dbraw/zinc/40/15/13/526401513.db2.gz XIEYHKHAXPJUMR-MUUNZHRXSA-N 0 0 441.538 6.290 50 0 IKAARN c1c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c2ccccc2n1Cc1ccccc1 ZINC000012547452 526401575 /nfs/dbraw/zinc/40/15/75/526401575.db2.gz OUQAXSRGKNNKCD-GDLZYMKVSA-N 0 0 426.523 6.679 50 0 IKAARN O=C(CCC1CCCC1)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925183 526404682 /nfs/dbraw/zinc/40/46/82/526404682.db2.gz YNBOSLGEHXPNRJ-AREMUKBSSA-N 0 0 434.605 5.863 50 0 IKAARN Fc1ccccc1/C=C\c1nc2ccccc2c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000033909751 526407099 /nfs/dbraw/zinc/40/70/99/526407099.db2.gz XOOCCLRFFRRCAL-SEYXRHQNSA-N 0 0 426.438 7.083 50 0 IKAARN Fc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000012312108 526416598 /nfs/dbraw/zinc/41/65/98/526416598.db2.gz OTTUGFPKVIDRRO-PXNSSMCTSA-N 0 0 429.314 5.892 50 0 IKAARN Fc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000012312110 526416812 /nfs/dbraw/zinc/41/68/12/526416812.db2.gz OTTUGFPKVIDRRO-XLIONFOSSA-N 0 0 429.314 5.892 50 0 IKAARN c1cc(C2CCCCC2)ccc1O[C@H]1OCCO[C@H]1Oc1ccc(C2CCCCC2)cc1 ZINC000017992384 526419718 /nfs/dbraw/zinc/41/97/18/526419718.db2.gz HOMRBRODDWMJHA-HNRBIFIRSA-N 0 0 436.592 6.939 50 0 IKAARN O=C(OC[C@@H]1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000021939491 526421998 /nfs/dbraw/zinc/42/19/98/526421998.db2.gz KVIFSSSNLCLHAU-FQEVSTJZSA-N 0 0 445.540 5.334 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892415 526423861 /nfs/dbraw/zinc/42/38/61/526423861.db2.gz FUTQSFFWCLWHAG-AREMUKBSSA-N 0 0 443.497 5.613 50 0 IKAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1cnc(Cl)c(Cl)c1 ZINC000012776942 526423839 /nfs/dbraw/zinc/42/38/39/526423839.db2.gz MFZVZXUXOZZZKZ-OAQYLSRUSA-N 0 0 434.250 5.492 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888950 526423917 /nfs/dbraw/zinc/42/39/17/526423917.db2.gz QVEHDYAXYDSQCO-SANMLTNESA-N 0 0 425.507 5.474 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021536811 526424252 /nfs/dbraw/zinc/42/42/52/526424252.db2.gz FQWSDPBXTNVWRU-AREMUKBSSA-N 0 0 441.962 5.988 50 0 IKAARN O=C(NCCc1ccccc1)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020522204 526424578 /nfs/dbraw/zinc/42/45/78/526424578.db2.gz POBWRSXIBDMDAL-NRFANRHFSA-N 0 0 432.911 5.021 50 0 IKAARN O=C(OCc1ccc(F)cc1Cl)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000016045078 526425575 /nfs/dbraw/zinc/42/55/75/526425575.db2.gz ZJOIBOYJXMBYMX-SSZFMOIBSA-N 0 0 447.893 6.854 50 0 IKAARN O=C(NCCc1ccccc1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000035181150 526426363 /nfs/dbraw/zinc/42/63/63/526426363.db2.gz BWWNTDBEPXDZFM-UHFFFAOYSA-N 0 0 447.966 5.145 50 0 IKAARN 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O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000020508757 526735958 /nfs/dbraw/zinc/73/59/58/526735958.db2.gz GEYVUDKVMSZELV-RPWUZVMVSA-N 0 0 430.573 5.288 50 0 IKAARN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000012707148 526736637 /nfs/dbraw/zinc/73/66/37/526736637.db2.gz WNWSDSDBXZZIMM-LJQANCHMSA-N 0 0 429.520 6.037 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000012821024 526738754 /nfs/dbraw/zinc/73/87/54/526738754.db2.gz IFAVNPNWAGCSRP-UHFFFAOYSA-N 0 0 441.318 5.383 50 0 IKAARN O=C(c1ccc2ncsc2c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022089784 526739993 /nfs/dbraw/zinc/73/99/93/526739993.db2.gz GWXXJZCDPNFFBU-UHFFFAOYSA-N 0 0 449.526 5.122 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034712948 526740250 /nfs/dbraw/zinc/74/02/50/526740250.db2.gz KCBQXLHRXZCBFB-UHFFFAOYSA-N 0 0 434.948 5.973 50 0 IKAARN O=C(c1ccc2noc(-c3ccc(Cl)cc3)c2c1)N1CCN(Cc2ccccc2)CC1 ZINC000015865005 526740497 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O=C1N(Cc2ccc(Cl)cc2Cl)c2ccccc2[C@@]12NCCc1c3ccccc3[nH]c12 ZINC000035323525 527038024 /nfs/dbraw/zinc/03/80/24/527038024.db2.gz WFPVBYJDLCCKPO-VWLOTQADSA-N 0 0 448.353 5.411 50 0 IKAARN O=C1N(Cc2ccc(Cl)cc2Cl)c2ccccc2[C@]12NCCc1c3ccccc3[nH]c12 ZINC000035323522 527038045 /nfs/dbraw/zinc/03/80/45/527038045.db2.gz WFPVBYJDLCCKPO-RUZDIDTESA-N 0 0 448.353 5.411 50 0 IKAARN O=C1N(N2C(=O)C3(CCCCC3)[C@@H]2c2ccccc2)[C@H](c2ccccc2)C12CCCCC2 ZINC000018009567 527039293 /nfs/dbraw/zinc/03/92/93/527039293.db2.gz WRNWFFYJWXGPTL-PSWAGMNNSA-N 0 0 428.576 5.969 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000035514345 527041352 /nfs/dbraw/zinc/04/13/52/527041352.db2.gz QCKLSAYFZCCDCF-VWLOTQADSA-N 0 0 438.506 5.834 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(Cl)cc1Cl ZINC000016491937 527050779 /nfs/dbraw/zinc/05/07/79/527050779.db2.gz MMWMOIPAFISJPD-UHFFFAOYSA-N 0 0 439.367 7.026 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)N1CCC[C@H]1c1cccs1 ZINC000021846155 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O=C(CSc1nc2ccccc2n1Cc1c(F)cccc1Cl)NCc1ccccc1 ZINC000033050303 527063298 /nfs/dbraw/zinc/06/32/98/527063298.db2.gz FFXHYJFOOJSWLV-UHFFFAOYSA-N 0 0 439.943 5.286 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)Nc1nccs1 ZINC000033068876 527063630 /nfs/dbraw/zinc/06/36/30/527063630.db2.gz KTZTZKLVLRRHAI-UHFFFAOYSA-N 0 0 426.954 5.061 50 0 IKAARN Cn1c(C[C@H](NC(=O)c2ccccc2Br)c2ccccc2)nc2ccccc21 ZINC000012732472 527066550 /nfs/dbraw/zinc/06/65/50/527066550.db2.gz PVNPWVANNGPBEZ-FQEVSTJZSA-N 0 0 434.337 5.050 50 0 IKAARN O=C(CSc1ncc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc(Cl)cc1Cl ZINC000012369789 527068390 /nfs/dbraw/zinc/06/83/90/527068390.db2.gz VRYGHSPGCNZDRB-UHFFFAOYSA-N 0 0 449.203 6.157 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@H]1CCCc2ccccc21 ZINC000015910560 527074885 /nfs/dbraw/zinc/07/48/85/527074885.db2.gz GEQUCKYWMAGPGP-FQEVSTJZSA-N 0 0 431.586 5.644 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CCCCC1 ZINC000009664173 527078800 /nfs/dbraw/zinc/07/88/00/527078800.db2.gz 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ZINC000012344131 527091151 /nfs/dbraw/zinc/09/11/51/527091151.db2.gz NTXVVHGFKVVYIV-IBGZPJMESA-N 0 0 432.268 5.166 50 0 IKAARN O=C1Nc2ccccc2[C@@]12Oc1ccc(Br)cc1-c1cc(-c3ccccc3)nn12 ZINC000012760691 527092181 /nfs/dbraw/zinc/09/21/81/527092181.db2.gz PHSRAUPIECSNSJ-HSZRJFAPSA-N 0 0 444.288 5.025 50 0 IKAARN O=C1OC2(c3ccccc31)c1ccc3cc(O)ccc3c1Oc1c3ccc(O)cc3ccc12 ZINC000012654409 527093545 /nfs/dbraw/zinc/09/35/45/527093545.db2.gz IXQIUDNVFVTQLJ-UHFFFAOYSA-N 0 0 432.431 5.972 50 0 biogenic,in-vitro IKAARN O=C(Nc1c2ccccc2oc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 ZINC000021880734 527093997 /nfs/dbraw/zinc/09/39/97/527093997.db2.gz KTGDOKBUTFHCSL-HXUWFJFHSA-N 0 0 444.487 5.100 50 0 IKAARN O=C(Nc1c2ccccc2[nH]c1C(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000021361902 527094040 /nfs/dbraw/zinc/09/40/40/527094040.db2.gz NZBLADZGJZJFJP-UHFFFAOYSA-N 0 0 429.907 5.272 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)N1CCOCC1 ZINC000035768769 527098075 /nfs/dbraw/zinc/09/80/75/527098075.db2.gz 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O=C(Nc1cc(Cl)cc2cccnc21)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012824043 527110107 /nfs/dbraw/zinc/11/01/07/527110107.db2.gz KDZSFQNSCRPEFG-UHFFFAOYSA-N 0 0 434.780 5.484 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000012849397 527113100 /nfs/dbraw/zinc/11/31/00/527113100.db2.gz SBXHVRDJGIZGET-NHYWBVRUSA-N 0 0 442.850 5.216 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000012850857 527113679 /nfs/dbraw/zinc/11/36/79/527113679.db2.gz RQFQCESTUKGTTQ-DOMZBBRYSA-N 0 0 442.850 5.216 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000012849394 527113944 /nfs/dbraw/zinc/11/39/44/527113944.db2.gz SBXHVRDJGIZGET-ABAIWWIYSA-N 0 0 442.850 5.216 50 0 IKAARN O=C(Nc1cc(F)c(F)cc1Cl)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000012376000 527117339 /nfs/dbraw/zinc/11/73/39/527117339.db2.gz JTPQJYDRMPSLKI-UHFFFAOYSA-N 0 0 448.900 6.732 50 0 IKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1Nc1cccc(C(F)(F)F)c1 ZINC000012368552 527119852 /nfs/dbraw/zinc/11/98/52/527119852.db2.gz SAZXAVYDOFAXCE-UHFFFAOYSA-N 0 0 444.023 5.942 50 0 IKAARN O=C(Nc1cc(F)ccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021536071 527125786 /nfs/dbraw/zinc/12/57/86/527125786.db2.gz DXUZALYDVYRHQC-XMMPIXPASA-N 0 0 449.888 6.546 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(Cl)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000012312277 527127101 /nfs/dbraw/zinc/12/71/01/527127101.db2.gz UCHDKQIZLLCROT-DEDYPNTBSA-N 0 0 442.824 5.999 50 0 IKAARN O=C1c2ccccc2C(=CNc2cccc3c2CCCC3)C(=O)N1c1cccc(Cl)c1 ZINC000012312291 527127820 /nfs/dbraw/zinc/12/78/20/527127820.db2.gz WEVTVVPFKULTDW-KQWNVCNZSA-N 0 0 428.919 5.859 50 0 IKAARN O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@H]2c1ccc(Br)cc1 ZINC000012366807 527135446 /nfs/dbraw/zinc/13/54/46/527135446.db2.gz MTEKCYFPTIQGPF-WWPVKYPJSA-N 0 0 433.305 5.754 50 0 IKAARN NC1=C(c2ccccc2)[S@@](=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3)c21 ZINC000245256367 527136069 /nfs/dbraw/zinc/13/60/69/527136069.db2.gz PSCMSNVGCKPEJP-HKBQPEDESA-N 0 0 425.509 6.177 50 0 IKAARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)c1cccc(Cl)c1 ZINC000023460698 527137654 /nfs/dbraw/zinc/13/76/54/527137654.db2.gz GTHOVZWLXZXCMS-UHFFFAOYSA-N 0 0 442.902 6.093 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000012439075 527141217 /nfs/dbraw/zinc/14/12/17/527141217.db2.gz GAWKSLNEYAXBND-UHFFFAOYSA-N 0 0 446.501 5.359 50 0 IKAARN Cc1nc2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2c(=O)n1-c1ccc(F)cc1 ZINC000022499795 527143954 /nfs/dbraw/zinc/14/39/54/527143954.db2.gz JBWNLOUEVHUWRW-UHFFFAOYSA-N 0 0 436.874 5.439 50 0 IKAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000012569453 527145790 /nfs/dbraw/zinc/14/57/90/527145790.db2.gz SIZHWEDDBYANTE-FQEVSTJZSA-N 0 0 431.542 5.405 50 0 IKAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000012553951 527146159 /nfs/dbraw/zinc/14/61/59/527146159.db2.gz YIWXMBCMJFUFDC-IBGZPJMESA-N 0 0 449.498 5.137 50 0 IKAARN OC(=C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1cccc(Br)c1 ZINC000012769521 527147665 /nfs/dbraw/zinc/14/76/65/527147665.db2.gz VSAJZYCMRVOIFS-MRXNPFEDSA-N 0 0 430.245 5.082 50 0 IKAARN O=Cc1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000022276063 527148932 /nfs/dbraw/zinc/14/89/32/527148932.db2.gz DRUGPJCCRSROIB-UHFFFAOYSA-N 0 0 430.463 5.996 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F)NCCc1ccccc1 ZINC000035908413 527149960 /nfs/dbraw/zinc/14/99/60/527149960.db2.gz MIIFYLAIVLDOFS-NRFANRHFSA-N 0 0 436.477 6.068 50 0 IKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](NCc1ccccc1)c1ccc(F)cc1 ZINC000020812984 527155847 /nfs/dbraw/zinc/15/58/47/527155847.db2.gz ISPYDUOLRBHRMZ-AREMUKBSSA-N 0 0 447.446 6.965 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000033255232 527157837 /nfs/dbraw/zinc/15/78/37/527157837.db2.gz NEANCAKKWHULIL-UHFFFAOYSA-N 0 0 445.292 5.050 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000012585157 527158652 /nfs/dbraw/zinc/15/86/52/527158652.db2.gz XSORNHSTGIXMGG-UHFFFAOYSA-N 0 0 437.268 5.329 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1)c1ccco1 ZINC000012680764 527160517 /nfs/dbraw/zinc/16/05/17/527160517.db2.gz RMQRKGLKZCBIDR-LJQANCHMSA-N 0 0 431.517 5.509 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035726491 527164995 /nfs/dbraw/zinc/16/49/95/527164995.db2.gz VDCLHCAWXAELSQ-UHFFFAOYSA-N 0 0 434.393 5.306 50 0 IKAARN O=C(Nc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1)c1ccco1 ZINC000022509475 527169216 /nfs/dbraw/zinc/16/92/16/527169216.db2.gz YTROZFMCDFSFLC-UHFFFAOYSA-N 0 0 429.501 5.008 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503120 527175177 /nfs/dbraw/zinc/17/51/77/527175177.db2.gz QRNPQZLRTMLVGY-UHFFFAOYSA-N 0 0 440.330 6.230 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)C(=O)c1c(-c2ccccc2)nc2sc3c(n21)CCCC3 ZINC000012600742 527177781 /nfs/dbraw/zinc/17/77/81/527177781.db2.gz CYPXVHHDEFIDTC-UHFFFAOYSA-N 0 0 435.936 5.416 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048434 527178623 /nfs/dbraw/zinc/17/86/23/527178623.db2.gz JUZCYWVVBWLPSR-JOCHJYFZSA-N 0 0 440.971 6.599 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009396 527179994 /nfs/dbraw/zinc/17/99/94/527179994.db2.gz KEXHQWDHSLJHML-UHFFFAOYSA-N 0 0 434.927 5.837 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1 ZINC000009543714 527183225 /nfs/dbraw/zinc/18/32/25/527183225.db2.gz MOMWDLSXEFCFAC-UHFFFAOYSA-N 0 0 427.887 6.616 50 0 IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(Cl)c1Cl ZINC000016899425 527186180 /nfs/dbraw/zinc/18/61/80/527186180.db2.gz YXQKNPHFGXXNAR-CYBMUJFWSA-N 0 0 435.254 5.454 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccs1 ZINC000012377247 527187389 /nfs/dbraw/zinc/18/73/89/527187389.db2.gz PSARHAYYIJORBG-OAQYLSRUSA-N 0 0 432.328 5.062 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccccc1 ZINC000012375865 527187917 /nfs/dbraw/zinc/18/79/17/527187917.db2.gz IVYKASGWBUWEKN-HSZRJFAPSA-N 0 0 426.299 5.001 50 0 IKAARN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)C1(c2ccc(Cl)cc2)CCC1 ZINC000012785556 527190912 /nfs/dbraw/zinc/19/09/12/527190912.db2.gz YRZUSZPQLWZIRZ-UHFFFAOYSA-N 0 0 438.934 5.524 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914961 527192620 /nfs/dbraw/zinc/19/26/20/527192620.db2.gz TXHPNDYLNVXINH-UHFFFAOYSA-N 0 0 437.902 5.568 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908553 527194523 /nfs/dbraw/zinc/19/45/23/527194523.db2.gz QZAJFPKHGDEDKR-OAQYLSRUSA-N 0 0 437.421 6.281 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023818883 527197110 /nfs/dbraw/zinc/19/71/10/527197110.db2.gz TXBRQEJRUHTDAJ-UHFFFAOYSA-N 0 0 437.771 5.026 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892347 527200650 /nfs/dbraw/zinc/20/06/50/527200650.db2.gz HLIYKGHMDNSARL-DEOSSOPVSA-N 0 0 433.433 6.032 50 0 IKAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 ZINC000012686998 527203693 /nfs/dbraw/zinc/20/36/93/527203693.db2.gz PJBCVDWMJJYZFN-UHFFFAOYSA-N 0 0 437.956 5.117 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc2ccccc21 ZINC000020662813 527204380 /nfs/dbraw/zinc/20/43/80/527204380.db2.gz JULUSJFNJKGNCK-UHFFFAOYSA-N 0 0 444.485 5.092 50 0 IKAARN Cc1nc2sc3c(c2c(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1)CCCC3 ZINC000012775665 527206499 /nfs/dbraw/zinc/20/64/99/527206499.db2.gz XOHCOVJSCZMFMR-UHFFFAOYSA-N 0 0 426.969 5.276 50 0 IKAARN Cc1nc2sc([C@H](c3cccc(C)c3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022626393 527206796 /nfs/dbraw/zinc/20/67/96/527206796.db2.gz IZOAXOPJZIWMOK-QFIPXVFZSA-N 0 0 432.593 5.157 50 0 IKAARN O=C(Nc1ccc(F)cc1Cl)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914994 527209754 /nfs/dbraw/zinc/20/97/54/527209754.db2.gz CMRXDUDISGOHIN-UHFFFAOYSA-N 0 0 437.902 5.568 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021536800 527210400 /nfs/dbraw/zinc/21/04/00/527210400.db2.gz 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O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cc2ccccc2c(=O)[nH]1 ZINC000024283549 527250232 /nfs/dbraw/zinc/25/02/32/527250232.db2.gz MFDIAXCJYFNVRI-UHFFFAOYSA-N 0 0 435.277 5.335 50 0 IKAARN O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000020523406 527253323 /nfs/dbraw/zinc/25/33/23/527253323.db2.gz KSQFIVKQFLZPLG-UHFFFAOYSA-N 0 0 433.558 5.450 50 0 IKAARN O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015647076 527256891 /nfs/dbraw/zinc/25/68/91/527256891.db2.gz BBLVHFLMOYPYTI-IBGZPJMESA-N 0 0 428.479 5.739 50 0 IKAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000012226401 527257157 /nfs/dbraw/zinc/25/71/57/527257157.db2.gz CMHJUQSMLSRPGJ-UHFFFAOYSA-N 0 0 430.348 5.254 50 0 IKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1)c1cccc(F)c1 ZINC000035925214 527258948 /nfs/dbraw/zinc/25/89/48/527258948.db2.gz BQPJASNWCPQTQQ-VWLOTQADSA-N 0 0 432.520 5.345 50 0 IKAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)c1cccs1 ZINC000035926983 527259036 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446.934 5.391 50 0 IKAARN O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1ccc(Cl)cc1 ZINC000035886167 527279366 /nfs/dbraw/zinc/27/93/66/527279366.db2.gz ORMSFSHGXOBYBW-UHFFFAOYSA-N 0 0 441.314 5.167 50 0 IKAARN O=S(=O)(c1cccc(F)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000033019446 527284372 /nfs/dbraw/zinc/28/43/72/527284372.db2.gz AWEDHMMXIDLXTR-QHCPKHFHSA-N 0 0 440.927 5.297 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502477 527287291 /nfs/dbraw/zinc/28/72/91/527287291.db2.gz NWYBHAHJHMAHTM-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1CSc1nc2ccccc2s1 ZINC000016019925 527287542 /nfs/dbraw/zinc/28/75/42/527287542.db2.gz FQQRAXYISIRGPC-UHFFFAOYSA-N 0 0 434.542 5.612 50 0 IKAARN O=C(Cc1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000032999887 527287809 /nfs/dbraw/zinc/28/78/09/527287809.db2.gz JCUPAFYGYCJCIY-UHFFFAOYSA-N 0 0 432.829 5.792 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047726 527288594 /nfs/dbraw/zinc/28/85/94/527288594.db2.gz PMIQIHJZUWFETJ-HSZRJFAPSA-N 0 0 432.545 5.535 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037750 527289404 /nfs/dbraw/zinc/28/94/04/527289404.db2.gz SFVIZNYDTKDLDX-FQEVSTJZSA-N 0 0 448.866 5.030 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2F)oc1NCc1ccco1)c1ccc(Cl)cc1 ZINC000012419753 527297098 /nfs/dbraw/zinc/29/70/98/527297098.db2.gz YSVNMQYXFWSABV-UHFFFAOYSA-N 0 0 432.860 5.172 50 0 IKAARN O=C(Cc1cccs1)Nc1ccccc1N1CCCN(Cc2cc(F)ccc2F)C1=O ZINC000034735221 527304263 /nfs/dbraw/zinc/30/42/63/527304263.db2.gz IQGOILAPBCSLIY-UHFFFAOYSA-N 0 0 441.503 5.040 50 0 IKAARN O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1cccc(Cl)c1 ZINC000022228528 527305169 /nfs/dbraw/zinc/30/51/69/527305169.db2.gz CTLYDVCRFHCXNW-UHFFFAOYSA-N 0 0 438.739 6.096 50 0 IKAARN Cn1cc([C@H](CC(=O)NCc2ccccn2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891797 527313125 /nfs/dbraw/zinc/31/31/25/527313125.db2.gz 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O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000012749298 527332354 /nfs/dbraw/zinc/33/23/54/527332354.db2.gz BUCHKUBKDIMNMT-UHFFFAOYSA-N 0 0 444.837 5.725 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000012369676 527332514 /nfs/dbraw/zinc/33/25/14/527332514.db2.gz BHVYGLCVYJEPBQ-UHFFFAOYSA-N 0 0 431.266 6.312 50 0 IKAARN O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000014634534 527333718 /nfs/dbraw/zinc/33/37/18/527333718.db2.gz PWJRGUUCDMFLFM-UHFFFAOYSA-N 0 0 446.498 5.395 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908775 527341093 /nfs/dbraw/zinc/34/10/93/527341093.db2.gz GSWHGTVCKNDKCG-OAQYLSRUSA-N 0 0 435.886 6.656 50 0 IKAARN O=C(Cc1nc2ccccc2s1)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000012285120 527342213 /nfs/dbraw/zinc/34/22/13/527342213.db2.gz JRMOWPAZXGVQLA-UHFFFAOYSA-N 0 0 432.526 5.212 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000012849374 527343267 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O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1)C1CCCC1 ZINC000035927090 527372029 /nfs/dbraw/zinc/37/20/29/527372029.db2.gz AZOQAGISWJEXAD-NRFANRHFSA-N 0 0 434.483 5.613 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)c1)c1ccccc1Cl ZINC000035928257 527372509 /nfs/dbraw/zinc/37/25/09/527372509.db2.gz WOXCNQXHGQRJRO-QFIPXVFZSA-N 0 0 444.890 5.649 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)c1)c1ccccc1Cl ZINC000035928256 527373354 /nfs/dbraw/zinc/37/33/54/527373354.db2.gz WOXCNQXHGQRJRO-JOCHJYFZSA-N 0 0 444.890 5.649 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1cccc(Cl)c1 ZINC000035910155 527373471 /nfs/dbraw/zinc/37/34/71/527373471.db2.gz SJLNPCOYHQPPIU-JOCHJYFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1)C1CCCC1 ZINC000035927089 527373772 /nfs/dbraw/zinc/37/37/72/527373772.db2.gz AZOQAGISWJEXAD-OAQYLSRUSA-N 0 0 434.483 5.613 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1)C1CCCCC1 ZINC000035927043 527373927 /nfs/dbraw/zinc/37/39/27/527373927.db2.gz YOOVLSOPXBKFRY-JOCHJYFZSA-N 0 0 448.510 6.003 50 0 IKAARN O=C(Nc1cccc2ccccc21)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000022492696 527383573 /nfs/dbraw/zinc/38/35/73/527383573.db2.gz VXLSENMDEDEEKI-UHFFFAOYSA-N 0 0 426.495 5.291 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1 ZINC000016957136 527385538 /nfs/dbraw/zinc/38/55/38/527385538.db2.gz ZQWFOXSVWCJMRQ-JOCHJYFZSA-N 0 0 442.515 5.297 50 0 IKAARN O=C(Nc1ccccc1)N1CCN(c2ccc(-c3noc(C4CCCCC4)n3)cc2)CC1 ZINC000033258279 527392646 /nfs/dbraw/zinc/39/26/46/527392646.db2.gz ZEYFWYJDPWLOJO-UHFFFAOYSA-N 0 0 431.540 5.138 50 0 IKAARN O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccc(Cl)cc1Cl ZINC000022458838 527403422 /nfs/dbraw/zinc/40/34/22/527403422.db2.gz JMPHWKSEKABQCG-UHFFFAOYSA-N 0 0 440.286 5.875 50 0 IKAARN O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(F)c1 ZINC000012375705 527405013 /nfs/dbraw/zinc/40/50/13/527405013.db2.gz RASJBOVMGLJYQK-UHFFFAOYSA-N 0 0 428.250 6.102 50 0 IKAARN O=C(Nc1ccccc1Br)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000020385047 527407381 /nfs/dbraw/zinc/40/73/81/527407381.db2.gz HYNJERXLXVPBMG-UHFFFAOYSA-N 0 0 425.307 5.418 50 0 IKAARN O=C(Nc1ccccc1Br)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000020920415 527408004 /nfs/dbraw/zinc/40/80/04/527408004.db2.gz HQOKMMUGPBNIJI-VWLOTQADSA-N 0 0 438.730 5.256 50 0 IKAARN O=C(Nc1ccccc1Br)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037261 527408170 /nfs/dbraw/zinc/40/81/70/527408170.db2.gz MNNRNRIRXFKOOO-IBGZPJMESA-N 0 0 449.308 5.410 50 0 IKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000035481170 527410684 /nfs/dbraw/zinc/41/06/84/527410684.db2.gz DOYDFMREWREORR-UHFFFAOYSA-N 0 0 446.304 5.118 50 0 IKAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccccc3c21)Nc1ccc(F)c(F)c1 ZINC000020996500 527412248 /nfs/dbraw/zinc/41/22/48/527412248.db2.gz ALMATZBJNXTIAN-UHFFFAOYSA-N 0 0 432.405 5.308 50 0 IKAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccc(F)cc3c21)Nc1ccccc1F ZINC000020996516 527412935 /nfs/dbraw/zinc/41/29/35/527412935.db2.gz FTPKYSGJFABEHK-UHFFFAOYSA-N 0 0 432.405 5.308 50 0 IKAARN O=C(Nc1ccccc1Cl)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888801 527416129 /nfs/dbraw/zinc/41/61/29/527416129.db2.gz JPZZBZSXUUVNRS-XMMPIXPASA-N 0 0 431.898 6.407 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000012887041 527417455 /nfs/dbraw/zinc/41/74/55/527417455.db2.gz HSPVBISNLZVPGB-UHFFFAOYSA-N 0 0 432.310 6.942 50 0 biogenic IKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021893688 527421677 /nfs/dbraw/zinc/42/16/77/527421677.db2.gz QDIBILUCCVQPSH-XMMPIXPASA-N 0 0 431.898 6.407 50 0 IKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021893960 527421977 /nfs/dbraw/zinc/42/19/77/527421977.db2.gz HBSNYDDMMPQYLC-XMMPIXPASA-N 0 0 431.898 6.407 50 0 IKAARN Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(F)cc1F ZINC000012535203 527423895 /nfs/dbraw/zinc/42/38/95/527423895.db2.gz NTBVPLSTFAFGKX-UHFFFAOYSA-N 0 0 433.487 5.568 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccn2c1C(=O)c1cccs1 ZINC000012342114 527429399 /nfs/dbraw/zinc/42/93/99/527429399.db2.gz ZADWDTXNWRPHOG-UHFFFAOYSA-N 0 0 430.316 5.373 50 0 IKAARN Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(N3CCCC3)c3c(c12)CCCC3 ZINC000021150592 527430110 /nfs/dbraw/zinc/43/01/10/527430110.db2.gz YZZGXLNLPCDIEJ-UHFFFAOYSA-N 0 0 426.973 5.263 50 0 IKAARN Nc1c(NC(=O)NCCc2ccccc2)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1 ZINC000034785441 527434671 /nfs/dbraw/zinc/43/46/71/527434671.db2.gz YOXURNBMLYNFLX-UHFFFAOYSA-N 0 0 445.954 5.198 50 0 IKAARN O=C(Nc1ccccc1SCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccccc1 ZINC000020583158 527435336 /nfs/dbraw/zinc/43/53/36/527435336.db2.gz XWQPYMIASMREQE-UHFFFAOYSA-N 0 0 447.585 5.179 50 0 IKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c12 ZINC000020615209 527436564 /nfs/dbraw/zinc/43/65/64/527436564.db2.gz XYYZATNNKVWEBI-UHFFFAOYSA-N 0 0 431.552 5.975 50 0 IKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000020604073 527436603 /nfs/dbraw/zinc/43/66/03/527436603.db2.gz BFGIUOXXNUVGJD-UHFFFAOYSA-N 0 0 425.863 5.908 50 0 IKAARN O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000020603742 527437213 /nfs/dbraw/zinc/43/72/13/527437213.db2.gz FSMMPQIJTSNEFI-MRVPVSSYSA-N 0 0 447.891 5.034 50 0 IKAARN O=c1c(Cl)c(Oc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000021673718 527451593 /nfs/dbraw/zinc/45/15/93/527451593.db2.gz ZFPRXACOYDAUCY-UHFFFAOYSA-N 0 0 435.711 5.111 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1F ZINC000012507628 527452601 /nfs/dbraw/zinc/45/26/01/527452601.db2.gz NLBVVWDJUOJBDY-XZOQPEGZSA-N 0 0 431.536 5.298 50 0 IKAARN O=c1c(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cc2[nH]c3ccccc3n21 ZINC000012637567 527453104 /nfs/dbraw/zinc/45/31/04/527453104.db2.gz IUDDWWTVKYFUBP-UHFFFAOYSA-N 0 0 437.351 6.906 50 0 IKAARN O=c1c2[nH]c3ccccc3c2nc(SCc2ccc(F)cc2)n1-c1cccc(Cl)c1 ZINC000017201069 527455340 /nfs/dbraw/zinc/45/53/40/527455340.db2.gz RIAHAZCHCSNRKH-UHFFFAOYSA-N 0 0 435.911 5.952 50 0 IKAARN O=c1c2c(nc(SCc3cccc4ccccc43)n1CCc1ccccc1)CCS2 ZINC000012140526 527456024 /nfs/dbraw/zinc/45/60/24/527456024.db2.gz BEBCVBXPWDLGHC-UHFFFAOYSA-N 0 0 430.598 5.580 50 0 IKAARN O=c1c2c3c(sc2nc(SCCc2ccccc2)n1CC1CCCCC1)CCCC3 ZINC000008396279 527458578 /nfs/dbraw/zinc/45/85/78/527458578.db2.gz PQEKDVUAHPIPJY-UHFFFAOYSA-N 0 0 438.662 6.252 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccs1 ZINC000001176682 527459036 /nfs/dbraw/zinc/45/90/36/527459036.db2.gz PLJAPKIKQUTHOB-UHFFFAOYSA-N 0 0 429.979 5.805 50 0 IKAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000014673215 527462324 /nfs/dbraw/zinc/46/23/24/527462324.db2.gz QCGPMAGPJREPHZ-IBGZPJMESA-N 0 0 446.334 5.048 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(Cl)cc1 ZINC000022749863 527464914 /nfs/dbraw/zinc/46/49/14/527464914.db2.gz MPZSBFVFORCDFU-HXUWFJFHSA-N 0 0 425.916 5.461 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1-c1cc(Cl)ccc1Cl ZINC000035911031 527465300 /nfs/dbraw/zinc/46/53/00/527465300.db2.gz HGJNMEUBQOJICL-UHFFFAOYSA-N 0 0 449.309 6.263 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccc(Cl)c(Cl)c1 ZINC000035911012 527466530 /nfs/dbraw/zinc/46/65/30/527466530.db2.gz NAMGXAJIJBUBJO-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(C(F)(F)F)cc2)n1-c1ccc(F)cc1 ZINC000035924551 527467090 /nfs/dbraw/zinc/46/70/90/527467090.db2.gz SNYHWQIRGFISCP-UHFFFAOYSA-N 0 0 430.426 5.836 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035911011 527467464 /nfs/dbraw/zinc/46/74/64/527467464.db2.gz LAZMFEQUKLSPLW-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2sc3ccccc3c2nc(SCc2ccccc2F)n1Cc1cccnc1 ZINC000012437494 527472083 /nfs/dbraw/zinc/47/20/83/527472083.db2.gz KBWDXHBJPCEVRR-UHFFFAOYSA-N 0 0 433.533 5.486 50 0 IKAARN Cc1ncsc1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012191884 527483856 /nfs/dbraw/zinc/48/38/56/527483856.db2.gz CQCUMYPSWYMXLR-HXUWFJFHSA-N 0 0 434.561 5.298 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000012618416 527498166 /nfs/dbraw/zinc/49/81/66/527498166.db2.gz BWCREFBIAXKDKR-UHFFFAOYSA-N 0 0 447.972 6.993 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000035671789 527500729 /nfs/dbraw/zinc/50/07/29/527500729.db2.gz YTHOVXWZNIREFA-UHFFFAOYSA-N 0 0 433.920 5.968 50 0 IKAARN O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000035999633 527513449 /nfs/dbraw/zinc/51/34/49/527513449.db2.gz ICRHMVLNNUJOBN-HHHXNRCGSA-N 0 0 447.022 6.532 50 0 IKAARN O=C(NC1CCCCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022641288 527518890 /nfs/dbraw/zinc/51/88/90/527518890.db2.gz PQPUTTAUKGWYSW-XMMPIXPASA-N 0 0 426.004 5.479 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(Cl)cc1C ZINC000033258571 527519031 /nfs/dbraw/zinc/51/90/31/527519031.db2.gz MZPYPSICGOTKOA-UHFFFAOYSA-N 0 0 447.926 5.712 50 0 IKAARN O=C(NC1CCCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022646060 527519387 /nfs/dbraw/zinc/51/93/87/527519387.db2.gz SIOCLUDYIDKBPR-UHFFFAOYSA-N 0 0 427.539 5.104 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000020892973 527525474 /nfs/dbraw/zinc/52/54/74/527525474.db2.gz FTPDIFKFPHEOOI-OAQYLSRUSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012578375 527525882 /nfs/dbraw/zinc/52/58/82/527525882.db2.gz KZVSOQSQKPFZRU-XMMPIXPASA-N 0 0 446.341 6.477 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020559403 527527134 /nfs/dbraw/zinc/52/71/34/527527134.db2.gz QSOLPROOFNTDEN-UHFFFAOYSA-N 0 0 428.389 5.382 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012578844 527528207 /nfs/dbraw/zinc/52/82/07/527528207.db2.gz HIZDSOSFHNTUCZ-XMMPIXPASA-N 0 0 429.886 5.962 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(N(C)C)c1CN(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000035970005 527534341 /nfs/dbraw/zinc/53/43/41/527534341.db2.gz WWQSLIUOSGJAFY-UHFFFAOYSA-N 0 0 442.966 5.224 50 0 IKAARN O=C(Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1)Nc1ccc(F)cc1 ZINC000017056575 527534759 /nfs/dbraw/zinc/53/47/59/527534759.db2.gz QEZXDQATPKQGPG-UHFFFAOYSA-N 0 0 441.315 5.640 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035970518 527535031 /nfs/dbraw/zinc/53/50/31/527535031.db2.gz MICURKXHOZLDMA-UHFFFAOYSA-N 0 0 435.955 5.918 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)N[C@@H](C)CCc3ccccc3)c12 ZINC000020579087 527535855 /nfs/dbraw/zinc/53/58/55/527535855.db2.gz FCVQIOMYJSECTJ-INIZCTEOSA-N 0 0 446.982 5.750 50 0 IKAARN O=C(Nc1nnc(SCc2cccc(OC(F)(F)F)c2)s1)c1ccccc1Cl ZINC000035924431 527535909 /nfs/dbraw/zinc/53/59/09/527535909.db2.gz DQSYMRFVYFMQJT-UHFFFAOYSA-N 0 0 445.875 5.635 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)NC(C)(C)C)C2CC2)c1Oc1ccc(F)cc1 ZINC000035978706 527536261 /nfs/dbraw/zinc/53/62/61/527536261.db2.gz OWJQXEIWPSCYSD-UHFFFAOYSA-N 0 0 436.531 5.491 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1=C(c2ccccc2)SCCO1 ZINC000012321636 527536443 /nfs/dbraw/zinc/53/64/43/527536443.db2.gz WPDSXPVVYUMSGW-UHFFFAOYSA-N 0 0 445.566 5.040 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)c2cccs2)C2CC2)c1Oc1ccccc1 ZINC000035977836 527536613 /nfs/dbraw/zinc/53/66/13/527536613.db2.gz IHNIKAKGZOJDNM-UHFFFAOYSA-N 0 0 429.545 5.746 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(CC2CC2)C(=O)C2CC2)c1Oc1ccccc1Cl ZINC000035980404 527536980 /nfs/dbraw/zinc/53/69/80/527536980.db2.gz APYZMMVLWYMIEE-UHFFFAOYSA-N 0 0 435.955 5.681 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(Cc2ccco2)C(=O)C2CC2)c1Oc1ccccc1 ZINC000035977823 527538726 /nfs/dbraw/zinc/53/87/26/527538726.db2.gz JOGBTQQATQTUCH-UHFFFAOYSA-N 0 0 427.504 5.411 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)Nc1cccc(Cl)c1 ZINC000012600275 527539731 /nfs/dbraw/zinc/53/97/31/527539731.db2.gz HVIDWDNRVUKQRT-UHFFFAOYSA-N 0 0 439.993 7.201 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012678219 527540002 /nfs/dbraw/zinc/54/00/02/527540002.db2.gz ZYEGGTVPPFQMDZ-JOCHJYFZSA-N 0 0 430.577 5.395 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012748833 527542402 /nfs/dbraw/zinc/54/24/02/527542402.db2.gz KMHPGBJNARJRJI-VWLOTQADSA-N 0 0 428.511 5.098 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(CC1CC1)C(=O)C1CCC1 ZINC000035980205 527548697 /nfs/dbraw/zinc/54/86/97/527548697.db2.gz HPRCHSMAJXDXNL-UHFFFAOYSA-N 0 0 449.982 6.165 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(CC1CC1)C(=O)C1CCC1 ZINC000035976144 527550265 /nfs/dbraw/zinc/55/02/65/527550265.db2.gz FDJZBEKXIFJCGR-UHFFFAOYSA-N 0 0 449.982 6.165 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)C(C)C ZINC000035970799 527550316 /nfs/dbraw/zinc/55/03/16/527550316.db2.gz NFHBIQYPABSBDB-HSZRJFAPSA-N 0 0 433.552 5.137 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1cccc(F)c1)C(C)C ZINC000035971117 527550327 /nfs/dbraw/zinc/55/03/27/527550327.db2.gz GMBFTJSEOKVMGX-UHFFFAOYSA-N 0 0 443.522 6.163 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1ccccc1)C(C)C ZINC000035971114 527550948 /nfs/dbraw/zinc/55/09/48/527550948.db2.gz KYQAAQKSIJMCOT-UHFFFAOYSA-N 0 0 425.532 6.024 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@@H]1CCCO1)C(=O)C(C)C ZINC000035977060 527551106 /nfs/dbraw/zinc/55/11/06/527551106.db2.gz WAHNMYNJLCFIJD-DEOSSOPVSA-N 0 0 447.579 5.445 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)C1CCC1 ZINC000035970806 527551147 /nfs/dbraw/zinc/55/11/47/527551147.db2.gz BTLUXGSIDCTPND-XMMPIXPASA-N 0 0 445.563 5.281 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)N(c1ccccc1)C(=O)N2 ZINC000012788454 527553758 /nfs/dbraw/zinc/55/37/58/527553758.db2.gz BMHWKUAPMWADPG-JOCHJYFZSA-N 0 0 448.448 6.341 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)NCc3ccc(C)cc3)c12 ZINC000012623326 527554846 /nfs/dbraw/zinc/55/48/46/527554846.db2.gz TVQRUZOFEJQGFU-UHFFFAOYSA-N 0 0 432.527 5.634 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c12 ZINC000020606502 527555024 /nfs/dbraw/zinc/55/50/24/527555024.db2.gz UUMFZDXNHIGEHO-UHFFFAOYSA-N 0 0 437.330 6.165 50 0 IKAARN Cn1nc(CSc2ccccc2)c(CSc2ccc(Br)cc2)c1Cl ZINC000012338554 527555828 /nfs/dbraw/zinc/55/58/28/527555828.db2.gz NAHZOZCVWIQWNC-UHFFFAOYSA-N 0 0 439.831 6.421 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCCc3c[nH]c4ccccc34)c12 ZINC000020283602 527564329 /nfs/dbraw/zinc/56/43/29/527564329.db2.gz KBLUGOGBKWRGAV-UHFFFAOYSA-N 0 0 443.938 5.145 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3cccc(C)c3)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893611 527568436 /nfs/dbraw/zinc/56/84/36/527568436.db2.gz DNWUSWRMFDXUAY-UHFFFAOYSA-N 0 0 430.577 5.714 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3cccc(C)c3C)s2)c(C)c1Cc1ccccc1 ZINC000014608884 527568900 /nfs/dbraw/zinc/56/89/00/527568900.db2.gz NVWUIDDGCLDTPU-UHFFFAOYSA-N 0 0 430.577 5.714 50 0 IKAARN Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@@H](c1ccccc1)CC(=O)N2 ZINC000021661159 527570962 /nfs/dbraw/zinc/57/09/62/527570962.db2.gz HTWGOPMLMSWRFP-CQSZACIVSA-N 0 0 439.338 5.027 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1Cl)SCC(=O)N2 ZINC000020891281 527571256 /nfs/dbraw/zinc/57/12/56/527571256.db2.gz TUVQQOZBAYBZPJ-GOSISDBHSA-N 0 0 426.954 5.219 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cc(Br)cs1)CC(=O)N2 ZINC000021661075 527571437 /nfs/dbraw/zinc/57/14/37/527571437.db2.gz YKNZTYAGUGWECP-NSHDSACASA-N 0 0 445.367 5.089 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1c(C)sc3ccccc31)CC(=O)N2 ZINC000021661081 527571576 /nfs/dbraw/zinc/57/15/76/527571576.db2.gz DYGRQCXUZOMMTA-HNNXBMFYSA-N 0 0 430.558 5.788 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000021661024 527571615 /nfs/dbraw/zinc/57/16/15/527571615.db2.gz LOZSFUQVNPWZFB-GFCCVEGCSA-N 0 0 426.904 5.365 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(Br)c1)CC(=O)N2 ZINC000021177520 527571745 /nfs/dbraw/zinc/57/17/45/527571745.db2.gz VDYMYAAPHMPECA-CQSZACIVSA-N 0 0 439.338 5.027 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000021177549 527571844 /nfs/dbraw/zinc/57/18/44/527571844.db2.gz QDBSGUPYLXIQLG-CYBMUJFWSA-N 0 0 439.338 5.027 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000021726184 527572603 /nfs/dbraw/zinc/57/26/03/527572603.db2.gz OYKHDTVTONBWEP-IBGZPJMESA-N 0 0 444.560 5.586 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000012469510 527585667 /nfs/dbraw/zinc/58/56/67/527585667.db2.gz LBOPPVHNGFXFDM-NHDLTIKGSA-N 0 0 448.489 5.083 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(Cl)c(Cl)c2)n1 ZINC000034723256 527598138 /nfs/dbraw/zinc/59/81/38/527598138.db2.gz IDBYRGBMNUFZNM-UHFFFAOYSA-N 0 0 433.360 5.836 50 0 IKAARN O=C(/C=C/c1c(F)cccc1Cl)OCc1csc(COc2ccc(Cl)cc2)n1 ZINC000012883397 527600903 /nfs/dbraw/zinc/60/09/03/527600903.db2.gz QXJCOJNONDTTRX-CMDGGOBGSA-N 0 0 438.307 5.925 50 0 IKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1Br ZINC000008432249 527606779 /nfs/dbraw/zinc/60/67/79/527606779.db2.gz AEWLKMSKMUIFGF-QHHAFSJGSA-N 0 0 449.957 6.170 50 0 IKAARN O=C(NCCC1=CCCCC1)NCc1cccc(CNC(=O)NCCC2=CCCCC2)c1 ZINC000012548730 527624051 /nfs/dbraw/zinc/62/40/51/527624051.db2.gz NAUCRBXOKNJQRN-UHFFFAOYSA-N 0 0 438.616 5.066 50 0 IKAARN Cc1nn(C)c(C)c1CN(Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C)C1CC1 ZINC000012708680 527627912 /nfs/dbraw/zinc/62/79/12/527627912.db2.gz QNZDZCMSBSFTHZ-UHFFFAOYSA-N 0 0 426.564 5.832 50 0 IKAARN O=C(/C=C/c1cccc2cccnc12)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000014812056 527629233 /nfs/dbraw/zinc/62/92/33/527629233.db2.gz IIQKRHZZUQQXOC-RTHIIRHPSA-N 0 0 441.458 5.738 50 0 IKAARN OCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000020905599 527633762 /nfs/dbraw/zinc/63/37/62/527633762.db2.gz XVFZTSLFEDEOSX-QHCPKHFHSA-N 0 0 426.438 5.420 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000012375753 527634086 /nfs/dbraw/zinc/63/40/86/527634086.db2.gz JADSSAWHXAGPIK-JLHYYAGUSA-N 0 0 436.298 6.362 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)N1CC[C@H]2[C@H](CCC(=O)N2CCC2CCCCC2)C1 ZINC000012244332 527634929 /nfs/dbraw/zinc/63/49/29/527634929.db2.gz JRRURJVWYPPEDD-HRQOKUPJSA-N 0 0 429.004 5.163 50 0 IKAARN OCc1cnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1ccccc1C(F)(F)F ZINC000035841276 527640594 /nfs/dbraw/zinc/64/05/94/527640594.db2.gz VMHURNVQLYJOIZ-UHFFFAOYSA-N 0 0 446.416 5.754 50 0 IKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCc1ccccc1F ZINC000012531772 527645644 /nfs/dbraw/zinc/64/56/44/527645644.db2.gz QXHDMGIRECPMDS-CCEZHUSRSA-N 0 0 437.474 5.754 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020731139 527656281 /nfs/dbraw/zinc/65/62/81/527656281.db2.gz OVDXCSOIDUCBDU-LJQANCHMSA-N 0 0 438.742 5.076 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3cccc(Cl)c3)cnn21 ZINC000012862066 527679432 /nfs/dbraw/zinc/67/94/32/527679432.db2.gz ZSTXRBSUIKYLHI-UHFFFAOYSA-N 0 0 442.655 7.042 50 0 IKAARN FC(F)(F)c1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1 ZINC000035848139 527682993 /nfs/dbraw/zinc/68/29/93/527682993.db2.gz DXYQDMCPVSUJBY-UHFFFAOYSA-N 0 0 446.885 6.294 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NC[C@H]2CCCO2)c2cc(Cl)ccc23)c1 ZINC000021779515 527684204 /nfs/dbraw/zinc/68/42/04/527684204.db2.gz QPILBCHKVRRPBK-OAHLLOKOSA-N 0 0 447.848 5.208 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(CCCSc3nnc4[nH]c5ccccc5n43)n2)c1 ZINC000012590275 527684248 /nfs/dbraw/zinc/68/42/48/527684248.db2.gz BYSZULNZQNXVFA-UHFFFAOYSA-N 0 0 444.442 5.004 50 0 IKAARN FC(F)(F)c1cccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC000021548604 527686349 /nfs/dbraw/zinc/68/63/49/527686349.db2.gz SYFXAHCJDXMARM-UHFFFAOYSA-N 0 0 448.514 5.165 50 0 IKAARN FC(F)(F)c1ccccc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000035840081 527687308 /nfs/dbraw/zinc/68/73/08/527687308.db2.gz RUGJSBJQMKHGQM-UHFFFAOYSA-N 0 0 425.479 6.169 50 0 IKAARN FC(F)Oc1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 ZINC000012369475 527695789 /nfs/dbraw/zinc/69/57/89/527695789.db2.gz SHJPWHVEFNZVKK-UHFFFAOYSA-N 0 0 437.558 6.469 50 0 IKAARN FC(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020602610 527698925 /nfs/dbraw/zinc/69/89/25/527698925.db2.gz SLSMUMWGKHVOMH-UHFFFAOYSA-N 0 0 430.285 7.209 50 0 IKAARN FC(F)c1cc(-c2ccc(Br)cc2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020615402 527699044 /nfs/dbraw/zinc/69/90/44/527699044.db2.gz SUPOJKJZLIINRF-UHFFFAOYSA-N 0 0 440.291 6.665 50 0 IKAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 ZINC000003235046 534935821 /nfs/dbraw/zinc/93/58/21/534935821.db2.gz UXWSWCFDFDSZMC-RUZDIDTESA-N 0 0 439.386 7.520 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl ZINC000003166073 534935990 /nfs/dbraw/zinc/93/59/90/534935990.db2.gz ASUIBWOIWXRFGK-HHHXNRCGSA-N 0 0 446.015 7.690 50 0 IKAARN CC1(C)Cc2nc3sc4c(ncnc4N4CCC(Cc5ccccc5)CC4)c3cc2CO1 ZINC000002411925 534961336 /nfs/dbraw/zinc/96/13/36/534961336.db2.gz JERAGSKFRJMXPJ-UHFFFAOYSA-N 0 0 444.604 5.550 50 0 IKAARN CC(C)n1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 ZINC000009329077 535047250 /nfs/dbraw/zinc/04/72/50/535047250.db2.gz KTVAFRRRWZZQEA-UHFFFAOYSA-N 0 0 448.573 6.041 50 0 IKAARN CCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 ZINC000009246875 535084476 /nfs/dbraw/zinc/08/44/76/535084476.db2.gz LSVVQGOVNUXOAF-RZLJKOCPSA-N 0 0 426.604 7.258 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000008590527 535092427 /nfs/dbraw/zinc/09/24/27/535092427.db2.gz RZFJYDPYPUSFOY-UHFFFAOYSA-N 0 0 434.609 5.694 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc(Br)c1 ZINC000002197342 535096783 /nfs/dbraw/zinc/09/67/83/535096783.db2.gz YNJHPIUOKJUOPN-UHFFFAOYSA-N 0 0 448.432 6.864 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 ZINC000001255728 535109048 /nfs/dbraw/zinc/10/90/48/535109048.db2.gz JYPLTOWLHAAKJI-UHFFFAOYSA-N 0 0 447.604 5.260 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3CCCN3c3cc(C(F)(F)F)ccc32)cc1 ZINC000008781589 535120336 /nfs/dbraw/zinc/12/03/36/535120336.db2.gz NBHRNDADJIXESO-QGZVFWFLSA-N 0 0 438.515 5.181 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000009190026 535296921 /nfs/dbraw/zinc/29/69/21/535296921.db2.gz QXKBOPHSPFAFFG-CLOONOSVSA-N 0 0 428.532 5.619 50 0 IKAARN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@H]1C ZINC000009130404 535319227 /nfs/dbraw/zinc/31/92/27/535319227.db2.gz SHRGQDIZFCHWSK-NLFFAJNJSA-N 0 0 428.532 5.375 50 0 IKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C ZINC000000725745 535319288 /nfs/dbraw/zinc/31/92/88/535319288.db2.gz APAMXHLGKORGCF-KBMIEXCESA-N 0 0 430.523 5.678 50 0 IKAARN CC(C)c1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000000649322 535370164 /nfs/dbraw/zinc/37/01/64/535370164.db2.gz ILGZWOWUMANFDQ-UHFFFAOYSA-N 0 0 435.571 5.988 50 0 IKAARN CCCc1ccc(C(=O)[C@@H](C)OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000002659293 535416741 /nfs/dbraw/zinc/41/67/41/535416741.db2.gz OGCGBQVQCPJJMZ-LJQANCHMSA-N 0 0 445.584 6.447 50 0 IKAARN CCN1C=C(c2ccc3cc(C)ccc3n2)[C@@H](c2c[nH]c3ccccc32)c2cc(C)ccc21 ZINC000008846641 535438217 /nfs/dbraw/zinc/43/82/17/535438217.db2.gz JGQMQCFHQANMOF-SSEXGKCCSA-N 0 0 429.567 7.346 50 0 IKAARN CCOc1ccc2oc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2c1 ZINC000003288769 535445233 /nfs/dbraw/zinc/44/52/33/535445233.db2.gz FGSUUYFLXDPDCF-UHFFFAOYSA-N 0 0 432.442 5.121 50 0 IKAARN CCOc1cccc(C(=O)N2c3c(OC)cccc3-c3c(=S)ssc3C2(C)C)c1 ZINC000006631290 535448790 /nfs/dbraw/zinc/44/87/90/535448790.db2.gz VERJUBRUJKLOBF-UHFFFAOYSA-N 0 0 443.615 6.509 50 0 IKAARN CCOC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)nc3c4ccccc4oc32)CC1 ZINC000009216170 535604334 /nfs/dbraw/zinc/60/43/34/535604334.db2.gz SALFWZUWAUYIFL-UHFFFAOYSA-N 0 0 435.911 5.476 50 0 IKAARN CCOC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000008583022 535606477 /nfs/dbraw/zinc/60/64/77/535606477.db2.gz NXDUUDKPUMEUFP-UHFFFAOYSA-N 0 0 440.547 5.175 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 ZINC000002354283 535672357 /nfs/dbraw/zinc/67/23/57/535672357.db2.gz LRFOMTBZDPFEEH-GJZGRUSLSA-N 0 0 438.597 5.711 50 0 IKAARN CCOc1ccc(CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OCC ZINC000008601987 535713700 /nfs/dbraw/zinc/71/37/00/535713700.db2.gz PENUPTSDTFCUIG-UHFFFAOYSA-N 0 0 447.579 5.512 50 0 IKAARN CCN(CCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2)c1ccccc1 ZINC000009962601 535735403 /nfs/dbraw/zinc/73/54/03/535735403.db2.gz SGYSDRJTWLQCQK-UHFFFAOYSA-N 0 0 445.632 5.364 50 0 IKAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Sc4ccc(C)cc4)nn3)C2)cc1 ZINC000008609462 535748290 /nfs/dbraw/zinc/74/82/90/535748290.db2.gz UYVQWZWHCKHONE-IBGZPJMESA-N 0 0 448.592 5.190 50 0 IKAARN CCc1ccccc1NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000011120369 535951228 /nfs/dbraw/zinc/95/12/28/535951228.db2.gz RAHIATGKQXUUDP-UHFFFAOYSA-N 0 0 434.561 5.187 50 0 IKAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)c2ccccc2O1 ZINC000009406031 536116868 /nfs/dbraw/zinc/11/68/68/536116868.db2.gz GOASQUOICFDKKC-NRFANRHFSA-N 0 0 435.568 5.060 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000009569378 536548963 /nfs/dbraw/zinc/54/89/63/536548963.db2.gz LMANJUFLYIQKFU-UHFFFAOYSA-N 0 0 426.925 5.255 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1OC ZINC000006177309 536580066 /nfs/dbraw/zinc/58/00/66/536580066.db2.gz SJNMKJOWLUSYHQ-FFJNVULZSA-N 0 0 428.532 5.696 50 0 biogenic IKAARN COc1ccc(/C=C/C(=O)N2c3c(C)cccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002079851 536580732 /nfs/dbraw/zinc/58/07/32/536580732.db2.gz PEBILDHTCIVOTR-JLHYYAGUSA-N 0 0 439.627 6.818 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@H]2C)cc1 ZINC000008767437 536582196 /nfs/dbraw/zinc/58/21/96/536582196.db2.gz RMUWWAKUMGWGLL-VIOABPAUSA-N 0 0 440.543 5.628 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757192 536658731 /nfs/dbraw/zinc/65/87/31/536658731.db2.gz VFZQLVVBQILVTN-ILBGXUMGSA-N 0 0 438.543 5.158 50 0 IKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccc(O)cc1)N(c1ccc(C)cc1)C3=O ZINC000008613059 536704476 /nfs/dbraw/zinc/70/44/76/536704476.db2.gz FSIZXZIEEDJADH-QHCPKHFHSA-N 0 0 445.544 5.536 50 0 IKAARN COC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)cc1 ZINC000008855369 536730820 /nfs/dbraw/zinc/73/08/20/536730820.db2.gz DGOXVIMOLJBEOC-UHFFFAOYSA-N 0 0 430.335 5.554 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1Cl ZINC000009594693 536776707 /nfs/dbraw/zinc/77/67/07/536776707.db2.gz GFKCHEZQFWNSFA-UHFFFAOYSA-N 0 0 442.972 5.013 50 0 IKAARN COc1cc(CNc2ccc(N3CCCCC3)cc2)cc(Cl)c1OCc1cccs1 ZINC000008442402 536816156 /nfs/dbraw/zinc/81/61/56/536816156.db2.gz YMGZLLAIHJLXQR-UHFFFAOYSA-N 0 0 443.012 6.592 50 0 IKAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Br)c2)cc1OC ZINC000002275117 536893814 /nfs/dbraw/zinc/89/38/14/536893814.db2.gz XTUAQMYHMGMBNA-OAQYLSRUSA-N 0 0 439.309 5.237 50 0 IKAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000013070241 536947155 /nfs/dbraw/zinc/94/71/55/536947155.db2.gz FOPPEBIIIMFZNG-NVQXNPDNSA-N 0 0 444.531 5.135 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc(NC(=O)N2C[C@H](C)Sc3ccccc32)cc1 ZINC000008614214 537046707 /nfs/dbraw/zinc/04/67/07/537046707.db2.gz IXWPZTAFGVBCEI-KRWDZBQOSA-N 0 0 447.560 5.158 50 0 IKAARN COc1ccccc1N1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000003059456 537070806 /nfs/dbraw/zinc/07/08/06/537070806.db2.gz PJSADTUSJQXDBZ-UHFFFAOYSA-N 0 0 447.970 5.002 50 0 IKAARN COc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(C(C)C)cc4)c32)CC1 ZINC000001802669 537071797 /nfs/dbraw/zinc/07/17/97/537071797.db2.gz QUKPMMOFLNCDGW-UHFFFAOYSA-N 0 0 444.604 5.817 50 0 IKAARN COc1ccccc1N1CCN(c2ncnc3sc(C)c(-c4ccc(F)cc4)c32)CC1 ZINC000000952472 537072500 /nfs/dbraw/zinc/07/25/00/537072500.db2.gz JRIDWNKSOGLIGF-UHFFFAOYSA-N 0 0 434.540 5.141 50 0 IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000009036530 555507062 /nfs/dbraw/zinc/50/70/62/555507062.db2.gz HOQTWVHKSDTKRP-UHFFFAOYSA-N 0 0 436.511 5.326 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009155981 555509698 /nfs/dbraw/zinc/50/96/98/555509698.db2.gz HXMQKRVPIWQWFR-UHFFFAOYSA-N 0 0 431.608 5.187 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000000623786 555511354 /nfs/dbraw/zinc/51/13/54/555511354.db2.gz YLVVRVJSTFOMKG-UHFFFAOYSA-N 0 0 436.899 5.124 50 0 IKAARN Cc1ccnc(N(C(=O)c2cc3c(s2)CCCC3)C(=O)c2cc3c(s2)CCCC3)c1 ZINC000000624202 555511672 /nfs/dbraw/zinc/51/16/72/555511672.db2.gz ZBCXIGXGPBMBFE-UHFFFAOYSA-N 0 0 436.602 5.758 50 0 IKAARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1CCc1ccccc1 ZINC000000628123 555513496 /nfs/dbraw/zinc/51/34/96/555513496.db2.gz DGDBEWAVQRBTBI-UHFFFAOYSA-N 0 0 446.601 5.580 50 0 IKAARN COC(=O)c1cc(Oc2ncnc3scc(-c4ccc(C)c(C)c4)c32)cc(C(=O)OC)c1 ZINC000000628343 555513730 /nfs/dbraw/zinc/51/37/30/555513730.db2.gz JEYOFOINWGCXTO-UHFFFAOYSA-N 0 0 448.500 5.341 50 0 IKAARN Cc1ccc(S[C@H](c2ccc(C)cc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000630000 555514253 /nfs/dbraw/zinc/51/42/53/555514253.db2.gz AXPPVMHDDFLJTO-AZGAKELHSA-N 0 0 427.573 5.928 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H](Cn1cncn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000630064 555514261 /nfs/dbraw/zinc/51/42/61/555514261.db2.gz MCKCPBXNNGDCBE-ISKFKSNPSA-N 0 0 433.964 5.964 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000000632220 555515178 /nfs/dbraw/zinc/51/51/78/555515178.db2.gz TYVUEUZZWYGLLQ-YADHBBJMSA-N 0 0 430.558 5.274 50 0 IKAARN Cc1c(-c2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn32)cnn1-c1ccccc1 ZINC000000632845 555515501 /nfs/dbraw/zinc/51/55/01/555515501.db2.gz NZIQSPMUYDAEOT-UHFFFAOYSA-N 0 0 426.427 5.033 50 0 IKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000633053 555515797 /nfs/dbraw/zinc/51/57/97/555515797.db2.gz HUWXIVJVIXYATL-UHFFFAOYSA-N 0 0 443.506 6.023 50 0 IKAARN CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2cc(Cl)ccc2Cl)c1=S ZINC000000639417 555517815 /nfs/dbraw/zinc/51/78/15/555517815.db2.gz BWTNXPOPZSPNBB-UHFFFAOYSA-N 0 0 441.771 5.700 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl ZINC000000640031 555518062 /nfs/dbraw/zinc/51/80/62/555518062.db2.gz VBKKYIZGXYSSOS-UHFFFAOYSA-N 0 0 438.332 5.382 50 0 IKAARN C[C@@H]1CCCCN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000000640635 555518072 /nfs/dbraw/zinc/51/80/72/555518072.db2.gz IJPLALOOISYYMS-OYRHEFFESA-N 0 0 448.611 6.090 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3ccc(C)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000000641118 555518438 /nfs/dbraw/zinc/51/84/38/555518438.db2.gz YNYDFZSLSOJHAO-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN S=C1N=C(c2ccc(Cl)cc2)C[C@@H](c2cn(-c3ccccc3)nc2-c2ccco2)N1 ZINC000000642603 555519040 /nfs/dbraw/zinc/51/90/40/555519040.db2.gz TXIQSROKADLIEY-FQEVSTJZSA-N 0 0 432.936 5.346 50 0 IKAARN Cc1cc(C)n(-c2ncnc3c2sc2nc(-c4cccs4)cc(C(F)(F)F)c23)n1 ZINC000000643067 555519307 /nfs/dbraw/zinc/51/93/07/555519307.db2.gz GLQWTNALEWPWKM-UHFFFAOYSA-N 0 0 431.468 5.789 50 0 IKAARN C[C@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000000643590 555519513 /nfs/dbraw/zinc/51/95/13/555519513.db2.gz JMKHMPCWYVWVRX-IBVKSMDESA-N 0 0 438.527 5.903 50 0 IKAARN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000000643512 555519550 /nfs/dbraw/zinc/51/95/50/555519550.db2.gz DQELPKQDBBHGKV-UHFFFAOYSA-N 0 0 428.351 5.438 50 0 IKAARN Cc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000000643967 555519599 /nfs/dbraw/zinc/51/95/99/555519599.db2.gz ZHTQKADUSFSFFB-INIZCTEOSA-N 0 0 436.577 6.305 50 0 IKAARN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1cc(C)ccc1C ZINC000000645605 555520334 /nfs/dbraw/zinc/52/03/34/555520334.db2.gz UJXBFWYFWWJRME-UHFFFAOYSA-N 0 0 427.522 5.083 50 0 IKAARN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C)cc1C ZINC000000645615 555520482 /nfs/dbraw/zinc/52/04/82/555520482.db2.gz ADWRPANMBLPUMY-UHFFFAOYSA-N 0 0 427.522 5.083 50 0 IKAARN O=C(c1ccccc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccs1 ZINC000000645657 555520699 /nfs/dbraw/zinc/52/06/99/555520699.db2.gz RKKRYAUOCAENCI-UHFFFAOYSA-N 0 0 437.542 5.409 50 0 IKAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(O)c(OC)c2)c1 ZINC000000646245 555520743 /nfs/dbraw/zinc/52/07/43/555520743.db2.gz ONVGESAVESPJHI-UHFFFAOYSA-N 0 0 433.382 5.473 50 0 IKAARN CCc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000646669 555521266 /nfs/dbraw/zinc/52/12/66/555521266.db2.gz LGPQMDPGGXKNJU-UHFFFAOYSA-N 0 0 442.437 5.538 50 0 IKAARN CCOc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000646668 555521347 /nfs/dbraw/zinc/52/13/47/555521347.db2.gz WBUZHUFNUWBCSJ-UHFFFAOYSA-N 0 0 438.911 5.317 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c3n2)cc1 ZINC000000648983 555522087 /nfs/dbraw/zinc/52/20/87/555522087.db2.gz LLUNOZNNTSZDMB-CRICUBBOSA-N 0 0 438.522 5.683 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000000648811 555522129 /nfs/dbraw/zinc/52/21/29/555522129.db2.gz UIHYTMZRWBZHNJ-UHFFFAOYSA-N 0 0 443.576 5.185 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)c3ccccc3n2)o1 ZINC000000652477 555523506 /nfs/dbraw/zinc/52/35/06/555523506.db2.gz QRDDBWUURCHYTM-ZDUSSCGKSA-N 0 0 445.544 5.341 50 0 IKAARN O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2ccccc2Cl)cc1 ZINC000000653861 555524092 /nfs/dbraw/zinc/52/40/92/555524092.db2.gz SIXLGGLREGGDSV-UHFFFAOYSA-N 0 0 435.886 5.555 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)cc1 ZINC000000653499 555524108 /nfs/dbraw/zinc/52/41/08/555524108.db2.gz JDVCPTPPDIHRHW-FCHUYYIVSA-N 0 0 440.952 5.191 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)cc1 ZINC000000653503 555524117 /nfs/dbraw/zinc/52/41/17/555524117.db2.gz JDVCPTPPDIHRHW-FGZHOGPDSA-N 0 0 440.952 5.191 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000655963 555524753 /nfs/dbraw/zinc/52/47/53/555524753.db2.gz KMBLAVAUTPOYCQ-UHFFFAOYSA-N 0 0 446.161 5.289 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000000656704 555525065 /nfs/dbraw/zinc/52/50/65/555525065.db2.gz VEKHILUNGRXOCD-UHFFFAOYSA-N 0 0 438.336 5.303 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4nn(C)cc4Br)cc3)sc2c1 ZINC000000656895 555525476 /nfs/dbraw/zinc/52/54/76/555525476.db2.gz VILOYWORPKVFDM-UHFFFAOYSA-N 0 0 427.327 5.020 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)o2)c1 ZINC000000659074 555526069 /nfs/dbraw/zinc/52/60/69/555526069.db2.gz KJMPPEKCTFKRHN-UHFFFAOYSA-N 0 0 432.347 6.527 50 0 IKAARN CCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)N[C@H](C)c3ccccc3)nc21 ZINC000000659422 555526353 /nfs/dbraw/zinc/52/63/53/555526353.db2.gz VRTVOYOXZRMDBM-UZLBHIALSA-N 0 0 433.581 5.138 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4Cl)sc3n2)c1 ZINC000000661268 555526767 /nfs/dbraw/zinc/52/67/67/555526767.db2.gz OQJLHHRXXWKEDT-UHFFFAOYSA-N 0 0 427.888 5.599 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c(Br)c1 ZINC000000661134 555526777 /nfs/dbraw/zinc/52/67/77/555526777.db2.gz XMVJGEMIXSYHMS-UHFFFAOYSA-N 0 0 439.338 5.264 50 0 IKAARN CC(C)CSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000000661113 555526790 /nfs/dbraw/zinc/52/67/90/555526790.db2.gz RTLRYUBXFYAZPB-UHFFFAOYSA-N 0 0 439.631 6.607 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)cc(Cl)c4)sc3n2)cc1 ZINC000000661566 555527073 /nfs/dbraw/zinc/52/70/73/555527073.db2.gz SZNHHXCIGYKVCA-UHFFFAOYSA-N 0 0 444.343 6.113 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4Br)c(N)c3cc2C1 ZINC000000661877 555527092 /nfs/dbraw/zinc/52/70/92/555527092.db2.gz FSUBECGICZSEPZ-LLVKDONJSA-N 0 0 430.371 5.408 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000000664071 555527580 /nfs/dbraw/zinc/52/75/80/555527580.db2.gz CVROOQMUHUVGDO-WOJBJXKFSA-N 0 0 434.609 5.048 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000000664027 555527640 /nfs/dbraw/zinc/52/76/40/555527640.db2.gz AKPZGDRVFQANCP-UHFFFAOYSA-N 0 0 434.487 5.351 50 0 IKAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000666141 555528659 /nfs/dbraw/zinc/52/86/59/555528659.db2.gz SZNYASOXBMXEHD-UHFFFAOYSA-N 0 0 428.271 5.285 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)c1 ZINC000000668465 555529887 /nfs/dbraw/zinc/52/98/87/555529887.db2.gz ULLYCCJCRWLVEP-UHFFFAOYSA-N 0 0 445.316 6.119 50 0 IKAARN CC1(C)C[C@H](NC(=O)CCc2ccccc2)C[C@@](C)(CNC(=O)CCc2ccccc2)C1 ZINC000000668769 555529937 /nfs/dbraw/zinc/52/99/37/555529937.db2.gz HMRSMELJZQSKEX-RBJSKKJNSA-N 0 0 434.624 5.069 50 0 IKAARN CC[C@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000000670429 555530739 /nfs/dbraw/zinc/53/07/39/555530739.db2.gz FSONJZZLZZCRID-VIFPVBQESA-N 0 0 431.245 5.250 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000670543 555530750 /nfs/dbraw/zinc/53/07/50/555530750.db2.gz IXHLUMUDVPSYSE-UHFFFAOYSA-N 0 0 434.561 5.171 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000000670362 555530779 /nfs/dbraw/zinc/53/07/79/555530779.db2.gz OXQFKNQWCZSLFH-WDEREUQCSA-N 0 0 441.380 5.075 50 0 IKAARN Cc1ccc2cccc(NC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc43)c2n1 ZINC000000670890 555531023 /nfs/dbraw/zinc/53/10/23/555531023.db2.gz HNAXWWWRWXGWIE-UHFFFAOYSA-N 0 0 429.932 6.726 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(NC(=O)C4CCCCC4)c3)nc2c1)C1CCCCC1 ZINC000000671688 555531590 /nfs/dbraw/zinc/53/15/90/555531590.db2.gz YYIKDLKCWXBHPQ-UHFFFAOYSA-N 0 0 445.563 6.532 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000000671895 555531663 /nfs/dbraw/zinc/53/16/63/555531663.db2.gz QVEQENQHAZGXSD-UHFFFAOYSA-N 0 0 434.517 5.911 50 0 IKAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000000673594 555532257 /nfs/dbraw/zinc/53/22/57/555532257.db2.gz QZQWNRBIKHBPBQ-UHFFFAOYSA-N 0 0 447.516 5.293 50 0 IKAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000000673765 555532468 /nfs/dbraw/zinc/53/24/68/555532468.db2.gz HBSCPEUTZVMGAK-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000673863 555532588 /nfs/dbraw/zinc/53/25/88/555532588.db2.gz QGXLRPBMOJPXQK-AAEUAGOBSA-N 0 0 432.899 5.321 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000673988 555532753 /nfs/dbraw/zinc/53/27/53/555532753.db2.gz AAQBEMQPWKWIDS-DOMZBBRYSA-N 0 0 426.851 5.511 50 0 IKAARN O=C(NC1CCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674662 555533366 /nfs/dbraw/zinc/53/33/66/555533366.db2.gz SEYULWWBUUIQEV-ZBFHGGJFSA-N 0 0 447.288 5.523 50 0 IKAARN CC(C)CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674725 555533670 /nfs/dbraw/zinc/53/36/70/555533670.db2.gz LDTIVVFEFFISDE-HIFRSBDPSA-N 0 0 435.277 5.236 50 0 IKAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O ZINC000000676848 555535175 /nfs/dbraw/zinc/53/51/75/555535175.db2.gz CQRWDSJHQYFODB-INIZCTEOSA-N 0 0 436.577 5.277 50 0 IKAARN COc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1NC(=O)c1ccco1 ZINC000000677705 555535674 /nfs/dbraw/zinc/53/56/74/555535674.db2.gz BIOQLPHPBABKMA-UHFFFAOYSA-N 0 0 442.471 5.372 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000000677331 555535740 /nfs/dbraw/zinc/53/57/40/555535740.db2.gz WYBNEPZYVNZGEM-UHFFFAOYSA-N 0 0 447.709 5.398 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)c1 ZINC000000677333 555535786 /nfs/dbraw/zinc/53/57/86/555535786.db2.gz LDALYKRQPMBUID-UHFFFAOYSA-N 0 0 434.927 5.523 50 0 IKAARN O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000000678211 555536081 /nfs/dbraw/zinc/53/60/81/555536081.db2.gz SOKDZISCMMLZDS-UHFFFAOYSA-N 0 0 440.450 5.082 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2Cl)cc1Cl ZINC000000678743 555536255 /nfs/dbraw/zinc/53/62/55/555536255.db2.gz JIZBRFDDEYKAPG-UHFFFAOYSA-N 0 0 441.318 5.687 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000000678867 555536318 /nfs/dbraw/zinc/53/63/18/555536318.db2.gz PJXBWJMXCBUQGW-UHFFFAOYSA-N 0 0 432.345 5.597 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1ccccc1 ZINC000000678843 555536321 /nfs/dbraw/zinc/53/63/21/555536321.db2.gz COGPPQLXKMHNJN-UHFFFAOYSA-N 0 0 439.540 5.527 50 0 IKAARN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000000679402 555536881 /nfs/dbraw/zinc/53/68/81/555536881.db2.gz KEZAANAWAPDWJD-UHFFFAOYSA-N 0 0 429.319 5.047 50 0 IKAARN Cn1c(SCc2ccccc2)nnc1-c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000000680655 555537512 /nfs/dbraw/zinc/53/75/12/555537512.db2.gz NZSFBODEHIVUPN-FOCLMDBBSA-N 0 0 426.545 5.426 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 ZINC000000682099 555537690 /nfs/dbraw/zinc/53/76/90/555537690.db2.gz CQPBJKHRXOOFOU-UHFFFAOYSA-N 0 0 438.336 5.249 50 0 IKAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000000681984 555537747 /nfs/dbraw/zinc/53/77/47/555537747.db2.gz CQUKRBOUBDDNAY-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)cc1 ZINC000000683011 555538504 /nfs/dbraw/zinc/53/85/04/555538504.db2.gz QRLLRWRHJXMYHG-WOJBJXKFSA-N 0 0 432.520 5.115 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000683126 555538530 /nfs/dbraw/zinc/53/85/30/555538530.db2.gz PCWZPFHNDZKNPD-LBPRGKRZSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000000683023 555538563 /nfs/dbraw/zinc/53/85/63/555538563.db2.gz KTGUMCPMMSTZSN-WOJBJXKFSA-N 0 0 432.520 5.115 50 0 IKAARN CCc1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000000683328 555538719 /nfs/dbraw/zinc/53/87/19/555538719.db2.gz OULJLHWAYCXJAP-KRWDZBQOSA-N 0 0 429.343 5.089 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](/C=C/c2ccco2)Nc2ccccc2-3)cc1 ZINC000000684028 555538949 /nfs/dbraw/zinc/53/89/49/555538949.db2.gz VEGZMQWHTKOCLM-JNCYCUAHSA-N 0 0 428.517 5.576 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1Cl)N(C(C)=O)c1ccccc1-2 ZINC000000683688 555538966 /nfs/dbraw/zinc/53/89/66/555538966.db2.gz VMCJUDUFBAVSRC-IBGZPJMESA-N 0 0 447.347 5.402 50 0 IKAARN Cc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)n1 ZINC000000683754 555538970 /nfs/dbraw/zinc/53/89/70/555538970.db2.gz WKEMMTMKQRJDEO-OAQYLSRUSA-N 0 0 431.496 5.177 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)N(C(C)=O)c1ccccc1-2 ZINC000000684150 555539063 /nfs/dbraw/zinc/53/90/63/555539063.db2.gz VOTRKNKCIWVDKB-QHCPKHFHSA-N 0 0 448.548 5.026 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc2ccccc21 ZINC000000684300 555539199 /nfs/dbraw/zinc/53/91/99/555539199.db2.gz BGOBUGJHDQIVRJ-HSZRJFAPSA-N 0 0 428.517 5.248 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1Cl ZINC000000684393 555539219 /nfs/dbraw/zinc/53/92/19/555539219.db2.gz IOYXCYJUDFIQPV-LJQANCHMSA-N 0 0 447.347 5.402 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc2ccccc2c1 ZINC000000684699 555539581 /nfs/dbraw/zinc/53/95/81/555539581.db2.gz WORFYTQQZLFLKG-XMMPIXPASA-N 0 0 442.544 5.638 50 0 IKAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000686624 555540068 /nfs/dbraw/zinc/54/00/68/555540068.db2.gz GBRFNDRLADURSV-UHFFFAOYSA-N 0 0 444.988 5.385 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Br)cc1 ZINC000000686667 555540170 /nfs/dbraw/zinc/54/01/70/555540170.db2.gz PPDPJRXCJCTMJV-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000000687114 555540364 /nfs/dbraw/zinc/54/03/64/555540364.db2.gz DUFSMAAYUJUOEJ-UHFFFAOYSA-N 0 0 441.318 5.663 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)c2ccc(Br)cc2)o1 ZINC000000687467 555540768 /nfs/dbraw/zinc/54/07/68/555540768.db2.gz JGUZWCYGXBPIEZ-UHFFFAOYSA-N 0 0 433.327 5.003 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000000687530 555540785 /nfs/dbraw/zinc/54/07/85/555540785.db2.gz GTEIVRJXQDQCJL-UHFFFAOYSA-N 0 0 442.928 5.104 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1OC ZINC000000688690 555541366 /nfs/dbraw/zinc/54/13/66/555541366.db2.gz NUHQCVNXLLZOFW-UHFFFAOYSA-N 0 0 436.870 5.964 50 0 IKAARN CC1(C)CN(c2ccccc2)C(=O)[C@H]1OC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000688158 555541378 /nfs/dbraw/zinc/54/13/78/555541378.db2.gz LJQCICPMTOGJIE-OXCWCCTGSA-N 0 0 437.539 5.269 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cn3)c3ccccc3n2)c(C)c1 ZINC000000689198 555541655 /nfs/dbraw/zinc/54/16/55/555541655.db2.gz QQLXKNZDTCHERY-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1 ZINC000000689416 555541675 /nfs/dbraw/zinc/54/16/75/555541675.db2.gz RRDLEDIPKQXAJW-UHFFFAOYSA-N 0 0 443.450 5.825 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1 ZINC000000692730 555542277 /nfs/dbraw/zinc/54/22/77/555542277.db2.gz VWECYJPTAHKEIE-UHFFFAOYSA-N 0 0 432.520 5.019 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(=O)OC(C)C)C1 ZINC000000695995 555542547 /nfs/dbraw/zinc/54/25/47/555542547.db2.gz YXUTYHALLXZQSM-LLVKDONJSA-N 0 0 440.359 5.436 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1 ZINC000000694589 555542566 /nfs/dbraw/zinc/54/25/66/555542566.db2.gz PSZOLLPDBYLFHG-ZEQRLZLVSA-N 0 0 432.520 5.279 50 0 IKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1C ZINC000000702342 555542933 /nfs/dbraw/zinc/54/29/33/555542933.db2.gz JXHQCWHKXPBVFP-AWEZNQCLSA-N 0 0 433.986 5.507 50 0 IKAARN Cc1cc(NC(=O)[C@]23CC[C@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)no1 ZINC000000703808 555543984 /nfs/dbraw/zinc/54/39/84/555543984.db2.gz YGJBUOIHEQKSNE-RTWAWAEBSA-N 0 0 431.323 5.201 50 0 IKAARN O=C(Oc1ccc(I)cc1)C1c2ccccc2Oc2ccccc21 ZINC000000706296 555544598 /nfs/dbraw/zinc/54/45/98/555544598.db2.gz SEOXGWUILMQCOT-UHFFFAOYSA-N 0 0 428.225 5.134 50 0 IKAARN Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 ZINC000000707078 555545320 /nfs/dbraw/zinc/54/53/20/555545320.db2.gz NEXYBLQQFDKIPC-CYBMUJFWSA-N 0 0 437.590 5.469 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 ZINC000000708080 555545736 /nfs/dbraw/zinc/54/57/36/555545736.db2.gz UDGLRUCKYKVVIR-AYIBLLACSA-N 0 0 427.931 5.609 50 0 IKAARN O=C(Cn1c2ccccc2n2nc(-c3cccs3)nc12)c1ccc(Br)cc1 ZINC000000709135 555546146 /nfs/dbraw/zinc/54/61/46/555546146.db2.gz QJVGAFUMIASPNC-UHFFFAOYSA-N 0 0 437.322 5.058 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)cc1 ZINC000000712569 555547661 /nfs/dbraw/zinc/54/76/61/555547661.db2.gz HFWJYPSNKCBHED-UHFFFAOYSA-N 0 0 433.558 5.588 50 0 IKAARN Cc1ccc(Nc2nc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)cs2)cc1C ZINC000000712871 555547689 /nfs/dbraw/zinc/54/76/89/555547689.db2.gz GJYHSQWRUIOLJW-UHFFFAOYSA-N 0 0 425.513 5.971 50 0 IKAARN O=S(=O)(c1ccc(-c2csc(Nc3cccc4ccccc43)n2)cc1)N1CCCCC1 ZINC000000712701 555547773 /nfs/dbraw/zinc/54/77/73/555547773.db2.gz RJDSTBDAWOFLBJ-UHFFFAOYSA-N 0 0 449.601 5.882 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000714854 555548222 /nfs/dbraw/zinc/54/82/22/555548222.db2.gz ANILZHIAVXONTN-CJNGLKHVSA-N 0 0 440.809 5.051 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000714856 555548275 /nfs/dbraw/zinc/54/82/75/555548275.db2.gz ANILZHIAVXONTN-BBRMVZONSA-N 0 0 440.809 5.051 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-c2ccccc2)cc1 ZINC000000714712 555548284 /nfs/dbraw/zinc/54/82/84/555548284.db2.gz WKFAPQBFJWMKLW-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000714855 555548301 /nfs/dbraw/zinc/54/83/01/555548301.db2.gz ANILZHIAVXONTN-CZUORRHYSA-N 0 0 440.809 5.051 50 0 IKAARN CCOc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1 ZINC000000715951 555548567 /nfs/dbraw/zinc/54/85/67/555548567.db2.gz PYUVFXANNQOGHO-UHFFFAOYSA-N 0 0 433.533 5.668 50 0 IKAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1cccc(Cl)c1 ZINC000000717736 555549158 /nfs/dbraw/zinc/54/91/58/555549158.db2.gz HHGQTTQMBUISKW-UHFFFAOYSA-N 0 0 428.271 5.248 50 0 IKAARN O=C(Nc1cccnc1Cl)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000000720075 555549667 /nfs/dbraw/zinc/54/96/67/555549667.db2.gz TUPRIPVYSCNQIK-UHFFFAOYSA-N 0 0 440.262 5.047 50 0 IKAARN COc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720740 555549835 /nfs/dbraw/zinc/54/98/35/555549835.db2.gz XZJATTBGOKZMLP-VXKWHMMOSA-N 0 0 427.859 5.032 50 0 IKAARN COc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720687 555549930 /nfs/dbraw/zinc/54/99/30/555549930.db2.gz GNKVHPRDURDAKZ-DHIUTWEWSA-N 0 0 441.886 5.340 50 0 IKAARN COc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720688 555549936 /nfs/dbraw/zinc/54/99/36/555549936.db2.gz GNKVHPRDURDAKZ-GOTSBHOMSA-N 0 0 441.886 5.340 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000000722641 555550427 /nfs/dbraw/zinc/55/04/27/555550427.db2.gz JYHJSDBVGWMNHP-UHFFFAOYSA-N 0 0 446.816 5.354 50 0 IKAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2C)CCCC3)cc1 ZINC000000722360 555550454 /nfs/dbraw/zinc/55/04/54/555550454.db2.gz MBLILKBSHFTUBI-UHFFFAOYSA-N 0 0 434.561 5.377 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CC[C@H](C)C3)cc1 ZINC000000722338 555550506 /nfs/dbraw/zinc/55/05/06/555550506.db2.gz ZVOHQIVCWAAMJI-KRWDZBQOSA-N 0 0 448.588 5.705 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 ZINC000000724535 555551082 /nfs/dbraw/zinc/55/10/82/555551082.db2.gz VKZDEHYDHHRABX-UHFFFAOYSA-N 0 0 435.480 5.159 50 0 IKAARN C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727020 555551570 /nfs/dbraw/zinc/55/15/70/555551570.db2.gz CVKOIJVKLFRETD-YQDNHFOKSA-N 0 0 434.322 5.780 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000000728336 555551886 /nfs/dbraw/zinc/55/18/86/555551886.db2.gz AEYAHIBCLIJOGR-YCIYHOANSA-N 0 0 444.328 5.020 50 0 IKAARN CC(=O)c1cccc(NC(=O)C(=Cc2cccc3ccccc23)NC(=O)c2ccccc2)c1 ZINC000000727495 555551905 /nfs/dbraw/zinc/55/19/05/555551905.db2.gz DRCNGBLAKSFVEV-ITYLOYPMSA-N 0 0 434.495 5.452 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2cccc(Br)c2)cc1 ZINC000000728971 555552273 /nfs/dbraw/zinc/55/22/73/555552273.db2.gz IQEQCWTZFRKCIQ-UHFFFAOYSA-N 0 0 431.355 5.170 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000000731749 555552859 /nfs/dbraw/zinc/55/28/59/555552859.db2.gz YKGVKHPARFFYRA-UHFFFAOYSA-N 0 0 443.572 5.296 50 0 IKAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000000738586 555553114 /nfs/dbraw/zinc/55/31/14/555553114.db2.gz ZKAIQUWKANHAOK-UHFFFAOYSA-N 0 0 449.554 5.363 50 0 IKAARN O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000000752753 555553541 /nfs/dbraw/zinc/55/35/41/555553541.db2.gz JMEWNABJMKGPPW-UHFFFAOYSA-N 0 0 443.304 5.001 50 0 IKAARN O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000000752916 555553601 /nfs/dbraw/zinc/55/36/01/555553601.db2.gz HXHDRCJFZWLKKX-UHFFFAOYSA-N 0 0 425.311 5.011 50 0 IKAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1C ZINC000000751920 555553615 /nfs/dbraw/zinc/55/36/15/555553615.db2.gz YFHHDZMAQRGAOV-UHFFFAOYSA-N 0 0 428.467 5.133 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(-c4cccs4)c3c2N)cc1 ZINC000000754058 555553894 /nfs/dbraw/zinc/55/38/94/555553894.db2.gz OGPOXTCGWWSIOM-UHFFFAOYSA-N 0 0 448.594 6.575 50 0 IKAARN O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl)N1CCCCCC1 ZINC000000753605 555553919 /nfs/dbraw/zinc/55/39/19/555553919.db2.gz RIYNNDAOGXNYFD-UHFFFAOYSA-N 0 0 428.867 5.146 50 0 IKAARN Cc1ccc(N(C(=O)Nc2ccccc2Cl)[C@H](CC(=O)C2CC2)c2ccccc2)cc1 ZINC000000757989 555554137 /nfs/dbraw/zinc/55/41/37/555554137.db2.gz XXQVGZJVAYFRSD-XMMPIXPASA-N 0 0 432.951 6.797 50 0 IKAARN O=C(Nc1ccccc1C(=O)N(c1ccccc1)c1ccc2ccccc2c1)C(F)(F)F ZINC000000755681 555554171 /nfs/dbraw/zinc/55/41/71/555554171.db2.gz XYMXEELGUZPOLL-UHFFFAOYSA-N 0 0 434.417 6.319 50 0 IKAARN O=C(Cc1ccccc1F)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000010522465 555554506 /nfs/dbraw/zinc/55/45/06/555554506.db2.gz MTLJMUOMTBXDGE-UHFFFAOYSA-N 0 0 431.492 5.383 50 0 IKAARN COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2 ZINC000000784034 555555878 /nfs/dbraw/zinc/55/58/78/555555878.db2.gz IMDFVUXYBNMSCY-UHFFFAOYSA-N 0 0 432.545 5.453 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1ccccc1OC ZINC000000796583 555558376 /nfs/dbraw/zinc/55/83/76/555558376.db2.gz UELUGZLMCRICCD-LJQANCHMSA-N 0 0 435.553 5.078 50 0 IKAARN COc1ccc(N(C(=O)Nc2ccccc2Cl)[C@@H](CC(=O)C2CC2)c2ccccc2)cc1 ZINC000000821011 555563440 /nfs/dbraw/zinc/56/34/40/555563440.db2.gz ISGBOBBFZACZHD-DEOSSOPVSA-N 0 0 448.950 6.498 50 0 IKAARN O=C(Nc1cccnc1Cl)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000820965 555563467 /nfs/dbraw/zinc/56/34/67/555563467.db2.gz ZUBRNRNPBYKCTL-UHFFFAOYSA-N 0 0 425.879 5.364 50 0 IKAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1C ZINC000000821266 555563865 /nfs/dbraw/zinc/56/38/65/555563865.db2.gz ISGCEPMFGWGMNI-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827019 555565106 /nfs/dbraw/zinc/56/51/06/555565106.db2.gz YNAZIYGKGURDQC-UHFFFAOYSA-N 0 0 436.846 5.691 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)c1ccccc1 ZINC000000827399 555565475 /nfs/dbraw/zinc/56/54/75/555565475.db2.gz UFSBIIOGOZABJG-QGZVFWFLSA-N 0 0 432.524 5.043 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cc(C)ccc2C)cc1 ZINC000000827568 555565631 /nfs/dbraw/zinc/56/56/31/555565631.db2.gz FRQQYKLALGUUBS-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc(OC)c1OC ZINC000000830203 555566343 /nfs/dbraw/zinc/56/63/43/555566343.db2.gz MOUCQHDJDZLDAS-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1cccc(F)c1 ZINC000000831577 555566410 /nfs/dbraw/zinc/56/64/10/555566410.db2.gz RGEMTQHJHSRKRR-UHFFFAOYSA-N 0 0 440.496 5.185 50 0 IKAARN COc1cc(Br)c(-c2cc3cc(Br)ccc3oc2=O)cc1OC ZINC000000838886 555567561 /nfs/dbraw/zinc/56/75/61/555567561.db2.gz OXEROXWRJWGYNP-UHFFFAOYSA-N 0 0 440.087 5.002 50 0 IKAARN COc1cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc(OC)c1OC ZINC000000844061 555568418 /nfs/dbraw/zinc/56/84/18/555568418.db2.gz CZFSAGNHKCNKLA-UHFFFAOYSA-N 0 0 434.517 5.550 50 0 IKAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000000848382 555570117 /nfs/dbraw/zinc/57/01/17/555570117.db2.gz SJMNAUYURPUXKY-UHFFFAOYSA-N 0 0 426.847 5.424 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)c1 ZINC000000848688 555570178 /nfs/dbraw/zinc/57/01/78/555570178.db2.gz FPBROCOHBNKMAK-UHFFFAOYSA-N 0 0 438.409 5.178 50 0 IKAARN O=C(COc1ccc2cc(Br)ccc2c1Br)NCc1ccccc1 ZINC000000851400 555570463 /nfs/dbraw/zinc/57/04/63/555570463.db2.gz HGBJHSPAINYHMQ-UHFFFAOYSA-N 0 0 449.142 5.060 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)cc1 ZINC000000854388 555571107 /nfs/dbraw/zinc/57/11/07/555571107.db2.gz GECUJXKYKYTSDR-SFHVURJKSA-N 0 0 425.282 5.042 50 0 IKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)c1cccs1)c1cccs1 ZINC000000857573 555571609 /nfs/dbraw/zinc/57/16/09/555571609.db2.gz VHAWIZHHQIGOOF-UHFFFAOYSA-N 0 0 432.526 5.545 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1 ZINC000000858107 555571873 /nfs/dbraw/zinc/57/18/73/555571873.db2.gz RCZLWHIVJXPYOS-XMMPIXPASA-N 0 0 427.504 5.123 50 0 biogenic IKAARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000000861572 555572596 /nfs/dbraw/zinc/57/25/96/555572596.db2.gz YUJZEMLVQGXQLQ-DEOSSOPVSA-N 0 0 434.536 5.017 50 0 IKAARN COc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(OC)c1 ZINC000000862364 555572734 /nfs/dbraw/zinc/57/27/34/555572734.db2.gz FTPKDETUNPEZGI-MRXNPFEDSA-N 0 0 445.346 5.592 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C1CCCCC1 ZINC000000863417 555573265 /nfs/dbraw/zinc/57/32/65/555573265.db2.gz HYQWYEQVOASFNO-UHFFFAOYSA-N 0 0 442.581 5.621 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1 ZINC000000863637 555573270 /nfs/dbraw/zinc/57/32/70/555573270.db2.gz JYTILXNOBSSFNW-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865643 555573491 /nfs/dbraw/zinc/57/34/91/555573491.db2.gz UGXGJUPKAZSTFM-LSDHHAIUSA-N 0 0 426.870 5.259 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000865668 555573504 /nfs/dbraw/zinc/57/35/04/555573504.db2.gz SRBPZOCFAMXIDZ-FUHWJXTLSA-N 0 0 434.849 5.127 50 0 IKAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCC1 ZINC000000866839 555574243 /nfs/dbraw/zinc/57/42/43/555574243.db2.gz YWHZTUSPIXUJAW-ZFWWWQNUSA-N 0 0 433.261 5.086 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)cc1C ZINC000000877848 555576533 /nfs/dbraw/zinc/57/65/33/555576533.db2.gz LYOMGMLTHSMEKY-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN CCc1ccccc1NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F ZINC000000884000 555578287 /nfs/dbraw/zinc/57/82/87/555578287.db2.gz QAHWGGZMPUUDOP-PMACEKPBSA-N 0 0 444.457 5.367 50 0 IKAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1ccc(Cl)cc1 ZINC000000884909 555578858 /nfs/dbraw/zinc/57/88/58/555578858.db2.gz MDQNGAGYTOIUAG-UHFFFAOYSA-N 0 0 449.885 5.645 50 0 IKAARN CN(C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)C1CCCCC1 ZINC000000885346 555578967 /nfs/dbraw/zinc/57/89/67/555578967.db2.gz MGCJABZYOZIHRA-UHFFFAOYSA-N 0 0 435.515 5.144 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000000884913 555578972 /nfs/dbraw/zinc/57/89/72/555578972.db2.gz SNFQCECEXPQNSO-UHFFFAOYSA-N 0 0 443.494 5.554 50 0 IKAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000000888090 555579268 /nfs/dbraw/zinc/57/92/68/555579268.db2.gz FTLKMJLLPAMPLH-BWWMBTDCSA-N 0 0 444.328 5.154 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000000890702 555579809 /nfs/dbraw/zinc/57/98/09/555579809.db2.gz GNQGDNUEYCQBKH-CQSZACIVSA-N 0 0 447.482 5.141 50 0 IKAARN Cc1cc(=O)c(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000009550096 555580281 /nfs/dbraw/zinc/58/02/81/555580281.db2.gz YIFNHCPVIUGZHP-UHFFFAOYSA-N 0 0 429.907 5.037 50 0 IKAARN Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000000898747 555580591 /nfs/dbraw/zinc/58/05/91/555580591.db2.gz HSWGBCVTJXWHFO-IBGZPJMESA-N 0 0 444.560 5.274 50 0 IKAARN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000000898437 555580596 /nfs/dbraw/zinc/58/05/96/555580596.db2.gz LMTSFLALDDWECI-UHFFFAOYSA-N 0 0 448.523 5.025 50 0 IKAARN COc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000901222 555581064 /nfs/dbraw/zinc/58/10/64/555581064.db2.gz QYFHCQQIEIHRQJ-CYBMUJFWSA-N 0 0 433.455 5.290 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000900854 555581106 /nfs/dbraw/zinc/58/11/06/555581106.db2.gz OXRAUTPDGIFVRT-AWEZNQCLSA-N 0 0 445.466 5.484 50 0 IKAARN Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901161 555581119 /nfs/dbraw/zinc/58/11/19/555581119.db2.gz ZXAONNRSXHJBAX-CYBMUJFWSA-N 0 0 435.446 5.729 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901189 555581142 /nfs/dbraw/zinc/58/11/42/555581142.db2.gz WSFDSKGUCKBAPV-AWEZNQCLSA-N 0 0 447.482 5.680 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000000900815 555581147 /nfs/dbraw/zinc/58/11/47/555581147.db2.gz VMGNMCSPIGYNRD-GFCCVEGCSA-N 0 0 447.438 5.010 50 0 IKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1C(F)(F)F ZINC000000901777 555581320 /nfs/dbraw/zinc/58/13/20/555581320.db2.gz SGDQMKSUZGTIRL-UHFFFAOYSA-N 0 0 447.360 5.505 50 0 IKAARN Cc1ccc(F)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000901224 555581357 /nfs/dbraw/zinc/58/13/57/555581357.db2.gz HNUXUPYMADEZPJ-CYBMUJFWSA-N 0 0 435.446 5.729 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000000901578 555581447 /nfs/dbraw/zinc/58/14/47/555581447.db2.gz ISAAZCXYJBLZFN-UHFFFAOYSA-N 0 0 439.484 5.353 50 0 IKAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)CSc1nc(-c3ccco3)cc(C(F)(F)F)n1)C2 ZINC000000902013 555581700 /nfs/dbraw/zinc/58/17/00/555581700.db2.gz VVZPDOBDYXKVPZ-ZUOKHONESA-N 0 0 439.503 5.275 50 0 IKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(Br)o1 ZINC000000911470 555582576 /nfs/dbraw/zinc/58/25/76/555582576.db2.gz ILXXEDFZPFQRSH-UHFFFAOYSA-N 0 0 439.309 6.534 50 0 IKAARN Cc1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1F ZINC000000917995 555584094 /nfs/dbraw/zinc/58/40/94/555584094.db2.gz YWGYHIWWQCIHCX-UHFFFAOYSA-N 0 0 425.407 5.324 50 0 IKAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cc1C ZINC000009669754 555585980 /nfs/dbraw/zinc/58/59/80/555585980.db2.gz FJCRSRBIEPAAPR-UHFFFAOYSA-N 0 0 432.904 5.149 50 0 IKAARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000000940093 555586743 /nfs/dbraw/zinc/58/67/43/555586743.db2.gz VXUDFTMLZLGZCM-UHFFFAOYSA-N 0 0 446.455 5.439 50 0 IKAARN Cc1oc2cc(OCc3cc4c(cc3Cl)OCO4)ccc2c(=O)c1Oc1ccccc1 ZINC000000941312 555587026 /nfs/dbraw/zinc/58/70/26/555587026.db2.gz IJJMDIABQCHDKB-UHFFFAOYSA-N 0 0 436.847 5.855 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1ccccc1C(F)(F)F ZINC000000941388 555587047 /nfs/dbraw/zinc/58/70/47/555587047.db2.gz YPIQJSFKYHWYJD-UHFFFAOYSA-N 0 0 432.373 5.114 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccccc1C(F)(F)F ZINC000000941391 555587101 /nfs/dbraw/zinc/58/71/01/555587101.db2.gz GSLREOQVDGDESH-UHFFFAOYSA-N 0 0 448.828 5.629 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)c(C)c1 ZINC000000944086 555587668 /nfs/dbraw/zinc/58/76/68/555587668.db2.gz KVCPQQGMVPXJJR-UHFFFAOYSA-N 0 0 447.556 6.159 50 0 IKAARN O=C(c1ccccc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1 ZINC000000944526 555587965 /nfs/dbraw/zinc/58/79/65/555587965.db2.gz DGFHQAGLLSHNBR-UHFFFAOYSA-N 0 0 449.503 5.486 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3cccc(OC)c3)n2-c2ccccc2)cc1 ZINC000000950763 555589133 /nfs/dbraw/zinc/58/91/33/555589133.db2.gz YDQHBHQNFKBAPO-UHFFFAOYSA-N 0 0 431.517 5.022 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951175 555589204 /nfs/dbraw/zinc/58/92/04/555589204.db2.gz UTPFASUDPPSMBW-UHFFFAOYSA-N 0 0 444.796 5.412 50 0 IKAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)c1C ZINC000000952444 555589315 /nfs/dbraw/zinc/58/93/15/555589315.db2.gz OTELWFJDRQGIKW-UHFFFAOYSA-N 0 0 437.546 5.065 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OCC)c1OCC ZINC000000953725 555589731 /nfs/dbraw/zinc/58/97/31/555589731.db2.gz RTHVCIJJDQNYLG-UHFFFAOYSA-N 0 0 435.520 5.714 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cccc(Cl)c4Cl)c23)C1 ZINC000000952592 555589741 /nfs/dbraw/zinc/58/97/41/555589741.db2.gz ZVIGNRBIWMFTNG-SNVBAGLBSA-N 0 0 438.405 5.854 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cncc(Br)c1 ZINC000000953154 555589753 /nfs/dbraw/zinc/58/97/53/555589753.db2.gz ZIAQPTSZOUGEHH-UHFFFAOYSA-N 0 0 431.311 5.002 50 0 IKAARN CC(C)c1ccccc1Oc1coc2cc(OCC(=O)OCc3ccccc3)ccc2c1=O ZINC000000954164 555589785 /nfs/dbraw/zinc/58/97/85/555589785.db2.gz NZPCVGDOZWCRJI-UHFFFAOYSA-N 0 0 444.483 5.831 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000954927 555589982 /nfs/dbraw/zinc/58/99/82/555589982.db2.gz ZHBUXSIRPCRQTJ-UHFFFAOYSA-N 0 0 436.939 5.735 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2ccccc2Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000955521 555590073 /nfs/dbraw/zinc/59/00/73/555590073.db2.gz HEKXEJHKQGKDDQ-UHFFFAOYSA-N 0 0 448.828 5.629 50 0 IKAARN CC(C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000000955643 555590400 /nfs/dbraw/zinc/59/04/00/555590400.db2.gz DVAUZOFGWHZWSQ-UHFFFAOYSA-N 0 0 437.952 5.541 50 0 IKAARN COc1ccc(Oc2coc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000000957181 555590527 /nfs/dbraw/zinc/59/05/27/555590527.db2.gz QSVPDKGXINKBNZ-YIXHJXPBSA-N 0 0 432.403 5.352 50 0 aggregator IKAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cc(Cl)ccc4Cl)c23)C1 ZINC000000957827 555590670 /nfs/dbraw/zinc/59/06/70/555590670.db2.gz ZJPXFDIPRCJVIU-JTQLQIEISA-N 0 0 438.405 5.854 50 0 IKAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000969286 555591145 /nfs/dbraw/zinc/59/11/45/555591145.db2.gz RMTYDLJMWYGCMI-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN O=C(COc1ccc(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)cc1)Nc1ccccc1 ZINC000000984749 555594443 /nfs/dbraw/zinc/59/44/43/555594443.db2.gz OKYKYVZYYHJAIM-MHZLTWQESA-N 0 0 447.538 6.382 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)ccc3O)nc2c1 ZINC000000989807 555595623 /nfs/dbraw/zinc/59/56/23/555595623.db2.gz DVKASEYBDLPSMH-UHFFFAOYSA-N 0 0 444.874 6.675 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000000989839 555595654 /nfs/dbraw/zinc/59/56/54/555595654.db2.gz QAOLECUIZWAQDW-HHHXNRCGSA-N 0 0 447.962 5.645 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000000990065 555595880 /nfs/dbraw/zinc/59/58/80/555595880.db2.gz VLYCUTODYWPLLC-NDEPHWFRSA-N 0 0 427.544 5.300 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)cc1 ZINC000000990079 555595961 /nfs/dbraw/zinc/59/59/61/555595961.db2.gz WURHLFVVSLUWOO-MUUNZHRXSA-N 0 0 427.544 5.034 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000000990298 555595997 /nfs/dbraw/zinc/59/59/97/555595997.db2.gz ATEGLAYFDAXCHJ-UHFFFAOYSA-N 0 0 433.074 5.278 50 0 IKAARN O=C(COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000000990578 555596199 /nfs/dbraw/zinc/59/61/99/555596199.db2.gz WAPHTPIIQVGIHL-UHFFFAOYSA-N 0 0 435.479 5.705 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c3ccccc3n2)cc1 ZINC000000990947 555596242 /nfs/dbraw/zinc/59/62/42/555596242.db2.gz MPJZRLDPVRIUTH-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000000991752 555596539 /nfs/dbraw/zinc/59/65/39/555596539.db2.gz VHGKKDPDMDTGDH-GOSISDBHSA-N 0 0 442.515 5.534 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(Cl)cccc23)cc1 ZINC000000992739 555596815 /nfs/dbraw/zinc/59/68/15/555596815.db2.gz GQIREZZYIMFHPH-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000000992876 555597186 /nfs/dbraw/zinc/59/71/86/555597186.db2.gz FGBKARBRGRMMDB-UHFFFAOYSA-N 0 0 439.467 5.140 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3cccc(OC)c3)c3cc(C)ccc3n2)cc1 ZINC000000993186 555597528 /nfs/dbraw/zinc/59/75/28/555597528.db2.gz NEEXGMWBGUSTSL-UHFFFAOYSA-N 0 0 441.483 5.267 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)s1 ZINC000000994704 555598067 /nfs/dbraw/zinc/59/80/67/555598067.db2.gz JDSUXKMVBVURID-UHFFFAOYSA-N 0 0 426.585 6.367 50 0 IKAARN O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(Br)cc1 ZINC000000994463 555598110 /nfs/dbraw/zinc/59/81/10/555598110.db2.gz RJPNNYYVUSRTBP-UHFFFAOYSA-N 0 0 427.689 5.089 50 0 IKAARN CCOc1cc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc(OCC)c1OCC ZINC000000995235 555598353 /nfs/dbraw/zinc/59/83/53/555598353.db2.gz NPDSWAOSKFRUHB-UHFFFAOYSA-N 0 0 440.565 5.875 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1 ZINC000000997094 555598988 /nfs/dbraw/zinc/59/89/88/555598988.db2.gz XAKBDUFWLYBBLL-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCCCCC1 ZINC000000998725 555599568 /nfs/dbraw/zinc/59/95/68/555599568.db2.gz UEKNBIZOGBAHQT-YPMHNXCESA-N 0 0 432.899 5.275 50 0 IKAARN COc1ccc(CN(C(C)=O)c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC ZINC000001004328 555600753 /nfs/dbraw/zinc/60/07/53/555600753.db2.gz XEBJLJRSACZDDM-UHFFFAOYSA-N 0 0 432.545 5.842 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001003963 555600812 /nfs/dbraw/zinc/60/08/12/555600812.db2.gz DYLRGBUPOVHCIQ-UHFFFAOYSA-N 0 0 442.540 5.431 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2OCC)c1 ZINC000001006501 555601100 /nfs/dbraw/zinc/60/11/00/555601100.db2.gz XOZRCWKPSYOEOD-UHFFFAOYSA-N 0 0 438.911 5.642 50 0 IKAARN CCOc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001011135 555602009 /nfs/dbraw/zinc/60/20/09/555602009.db2.gz UXSCDDUFQGSLMO-YVLHZVERSA-N 0 0 436.302 5.223 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2sc3nc(C)cc(C)c3c2N)o1 ZINC000001016804 555602809 /nfs/dbraw/zinc/60/28/09/555602809.db2.gz OJLVBDKQOUSJJN-GOSISDBHSA-N 0 0 430.533 5.388 50 0 IKAARN O=c1[nH]nc(-c2ccccc2)c2c1nn(-c1cccc(C(F)(F)F)c1)c2-c1ccccc1 ZINC000001016742 555602881 /nfs/dbraw/zinc/60/28/81/555602881.db2.gz VSGBCQMPXFTFAT-UHFFFAOYSA-N 0 0 432.405 5.462 50 0 IKAARN S=C(Nc1cccc(Cl)c1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001023635 555604022 /nfs/dbraw/zinc/60/40/22/555604022.db2.gz OFNLORXVFBBDDZ-UHFFFAOYSA-N 0 0 437.421 5.512 50 0 IKAARN Cc1nc(C(F)(F)F)ccc1-c1nnc(SCc2ccc(OC(F)(F)F)cc2)o1 ZINC000001023525 555604066 /nfs/dbraw/zinc/60/40/66/555604066.db2.gz UGDYZJDROOOONK-UHFFFAOYSA-N 0 0 435.349 5.650 50 0 IKAARN Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001025573 555604316 /nfs/dbraw/zinc/60/43/16/555604316.db2.gz PSNIVHBLCQPDRY-UHFFFAOYSA-N 0 0 426.501 6.571 50 0 IKAARN COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000001027540 555604664 /nfs/dbraw/zinc/60/46/64/555604664.db2.gz FLKWFHDHRKCYHC-UHFFFAOYSA-N 0 0 437.304 6.278 50 0 IKAARN Cc1csc2ncnc(Sc3ccccc3NS(=O)(=O)c3ccc(F)cc3)c12 ZINC000001027076 555604684 /nfs/dbraw/zinc/60/46/84/555604684.db2.gz FEAXADPOTZZXNU-UHFFFAOYSA-N 0 0 431.539 5.091 50 0 IKAARN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccccc1 ZINC000001027431 555604735 /nfs/dbraw/zinc/60/47/35/555604735.db2.gz YXFPETHQZJJFSL-UHFFFAOYSA-N 0 0 436.411 5.990 50 0 IKAARN FC(F)(F)c1ccnc(Sc2ccccc2NC(=S)Nc2ccc(Cl)cc2)n1 ZINC000001028072 555605056 /nfs/dbraw/zinc/60/50/56/555605056.db2.gz OFAZDQGRRLCNEC-UHFFFAOYSA-N 0 0 440.903 6.109 50 0 IKAARN Cc1cc(-c2c(C(=O)Sc3ccccc3)c(C)nn2-c2cccc(C(F)(F)F)c2)no1 ZINC000001031927 555606149 /nfs/dbraw/zinc/60/61/49/555606149.db2.gz DOKPUEJWPODYJL-UHFFFAOYSA-N 0 0 443.450 6.095 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)cc1 ZINC000001032417 555606250 /nfs/dbraw/zinc/60/62/50/555606250.db2.gz ZVMRPJHYZJDHRD-UHFFFAOYSA-N 0 0 427.451 6.180 50 0 IKAARN CCOC(=O)c1c(NC(=O)Nc2cccc(C(F)(F)F)c2)sc2c1CC[C@H](C)C2 ZINC000001033748 555607042 /nfs/dbraw/zinc/60/70/42/555607042.db2.gz RZFLDBZPIGNJRR-NSHDSACASA-N 0 0 426.460 5.712 50 0 IKAARN Cc1nc(CSc2nnc(-c3ccc(C(F)(F)F)cc3)n2Cc2ccco2)cs1 ZINC000001035265 555607856 /nfs/dbraw/zinc/60/78/56/555607856.db2.gz DQUFEEXUTYBRRI-UHFFFAOYSA-N 0 0 436.484 5.662 50 0 IKAARN O=C(Nc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000001035818 555608012 /nfs/dbraw/zinc/60/80/12/555608012.db2.gz WMPSNDQTWKIEJY-UHFFFAOYSA-N 0 0 441.236 6.239 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000001035935 555608045 /nfs/dbraw/zinc/60/80/45/555608045.db2.gz CFGLYEAYWXDFCF-UHFFFAOYSA-N 0 0 445.327 6.519 50 0 IKAARN CCn1c(=S)[nH]nc1CSc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1 ZINC000001036502 555608349 /nfs/dbraw/zinc/60/83/49/555608349.db2.gz JMDOWSWMVNZYDP-UHFFFAOYSA-N 0 0 442.013 6.067 50 0 IKAARN CCOC(=O)c1sc(SCc2ccccc2)c(S(=O)(=O)C(C)C)c1-n1cccc1 ZINC000001037776 555608643 /nfs/dbraw/zinc/60/86/43/555608643.db2.gz WWDQRHJGEIXXHY-UHFFFAOYSA-N 0 0 449.619 5.190 50 0 IKAARN O=C(Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000001037577 555608661 /nfs/dbraw/zinc/60/86/61/555608661.db2.gz VIMSYBNZGUNVQT-UHFFFAOYSA-N 0 0 437.995 5.220 50 0 IKAARN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)Nc1ccccc1Cl ZINC000001037496 555608717 /nfs/dbraw/zinc/60/87/17/555608717.db2.gz QECQIUOFELGRMO-UHFFFAOYSA-N 0 0 426.346 5.448 50 0 IKAARN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)Nc1ccc(F)cc1F ZINC000001037497 555608737 /nfs/dbraw/zinc/60/87/37/555608737.db2.gz OJPVWJGAMPCYHL-UHFFFAOYSA-N 0 0 427.881 5.073 50 0 IKAARN Cc1nn(Cc2nnc(SCc3cccc(C(F)(F)F)c3)o2)c(C)c1Br ZINC000001038349 555609121 /nfs/dbraw/zinc/60/91/21/555609121.db2.gz CVWPMWGKYHDQNK-UHFFFAOYSA-N 0 0 447.280 5.005 50 0 IKAARN COc1ccc(Br)cc1COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000001038899 555609341 /nfs/dbraw/zinc/60/93/41/555609341.db2.gz FOYSMLPSJVKNJN-UHFFFAOYSA-N 0 0 425.278 5.439 50 0 IKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1C(F)(F)F ZINC000001039544 555609368 /nfs/dbraw/zinc/60/93/68/555609368.db2.gz YAUJVYTVRMIMKO-QGZVFWFLSA-N 0 0 449.281 5.325 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC ZINC000001039289 555609395 /nfs/dbraw/zinc/60/93/95/555609395.db2.gz WCLIDBLQACJZMW-UHFFFAOYSA-N 0 0 440.546 5.090 50 0 IKAARN COC(=O)[C@H](Cc1csc2ccc(Cl)cc12)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000001039932 555609640 /nfs/dbraw/zinc/60/96/40/555609640.db2.gz VGFCTFUZMCPHIO-INIZCTEOSA-N 0 0 441.858 5.088 50 0 IKAARN COc1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)NC(=O)c1ccccc1F ZINC000001040649 555609752 /nfs/dbraw/zinc/60/97/52/555609752.db2.gz MOLHXRXDKWFUFF-UHFFFAOYSA-N 0 0 448.372 5.607 50 0 IKAARN Cc1cc(OC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)n(-c2ccccc2)n1 ZINC000001043207 555610312 /nfs/dbraw/zinc/61/03/12/555610312.db2.gz XFRFBUSHQUEMDQ-UHFFFAOYSA-N 0 0 428.275 5.670 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC[C@@H](c1ccc[nH]1)C(F)(F)F ZINC000001043679 555610516 /nfs/dbraw/zinc/61/05/16/555610516.db2.gz BFBNTRXRJWINCQ-JTQLQIEISA-N 0 0 447.244 5.753 50 0 IKAARN CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)Nc2cccc(Cl)c2Cl)c1C ZINC000001043796 555610635 /nfs/dbraw/zinc/61/06/35/555610635.db2.gz LQKYVMPGBFQMLH-UHFFFAOYSA-N 0 0 448.310 5.012 50 0 IKAARN CCCc1nc(SCC(=O)c2ccc(Cl)cc2)nc(OC(=O)N(CC)CC)c1C ZINC000001044918 555610816 /nfs/dbraw/zinc/61/08/16/555610816.db2.gz YGYUPBDLUXIUTK-UHFFFAOYSA-N 0 0 435.977 5.207 50 0 IKAARN Cc1ccc(-c2csc(CS(=O)(=O)Cc3cccc(C(F)(F)F)c3)n2)c(C)c1 ZINC000001047015 555611161 /nfs/dbraw/zinc/61/11/61/555611161.db2.gz LGNJCIMOMWHYFS-UHFFFAOYSA-N 0 0 425.497 5.561 50 0 IKAARN O=c1[nH]nc(SCc2cc(-c3c(Cl)cccc3Cl)no2)n1C1CCCCC1 ZINC000001047666 555611592 /nfs/dbraw/zinc/61/15/92/555611592.db2.gz HTSHLPCZERTGCC-UHFFFAOYSA-N 0 0 425.341 5.331 50 0 IKAARN C[C@@H](Sc1nccn1-c1cccc(Cl)c1Cl)C(=O)Nc1c(F)cccc1F ZINC000001048340 555611814 /nfs/dbraw/zinc/61/18/14/555611814.db2.gz ZXBZBOQXRZXBOO-SNVBAGLBSA-N 0 0 428.291 5.577 50 0 IKAARN Cc1nn(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccccc1 ZINC000001049008 555612035 /nfs/dbraw/zinc/61/20/35/555612035.db2.gz VDMGBTFBKZFKST-UHFFFAOYSA-N 0 0 434.361 5.133 50 0 IKAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1C ZINC000001048732 555612044 /nfs/dbraw/zinc/61/20/44/555612044.db2.gz FYDQWJLZSJCZQN-UHFFFAOYSA-N 0 0 439.421 6.067 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OC(CSc1ccccn1)CSc1ccccn1 ZINC000001049006 555612067 /nfs/dbraw/zinc/61/20/67/555612067.db2.gz PEOBWCAAHWKRAD-UHFFFAOYSA-N 0 0 431.970 5.632 50 0 IKAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Cl ZINC000001050163 555612692 /nfs/dbraw/zinc/61/26/92/555612692.db2.gz MCICCZJFQPMTAQ-CVEARBPZSA-N 0 0 433.733 5.262 50 0 IKAARN Cc1cccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001050410 555612961 /nfs/dbraw/zinc/61/29/61/555612961.db2.gz WVCKKVHHCYUFKD-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2oc3cc(C)ccc3c2C)c(C(=O)OCC)c1C ZINC000001057197 555614814 /nfs/dbraw/zinc/61/48/14/555614814.db2.gz JPWQPUVZBNFIRG-UHFFFAOYSA-N 0 0 429.494 5.025 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1sc2cc(Cl)ccc2c1Cl ZINC000001057592 555614830 /nfs/dbraw/zinc/61/48/30/555614830.db2.gz LHUYRMPKDMHXCR-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)c1cccs1 ZINC000001057848 555615185 /nfs/dbraw/zinc/61/51/85/555615185.db2.gz MVKNEEHTKHSRGQ-UHFFFAOYSA-N 0 0 440.480 5.593 50 0 IKAARN COCc1nnc(SCc2cccc(Br)c2)n1-c1cccc2ccccc21 ZINC000001059001 555615364 /nfs/dbraw/zinc/61/53/64/555615364.db2.gz MSSQLCMFEHISRQ-UHFFFAOYSA-N 0 0 440.366 5.622 50 0 IKAARN Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(-c3cccs3)no2)cc1 ZINC000001058603 555615373 /nfs/dbraw/zinc/61/53/73/555615373.db2.gz WKPFOSNUERXNOJ-UHFFFAOYSA-N 0 0 449.536 5.401 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1cccc(Cl)c1 ZINC000001062395 555616652 /nfs/dbraw/zinc/61/66/52/555616652.db2.gz ZPQWXROVAQCHBJ-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000001062674 555616995 /nfs/dbraw/zinc/61/69/95/555616995.db2.gz KAQZAZHJJQEGME-UHFFFAOYSA-N 0 0 442.331 5.188 50 0 IKAARN Cc1ccccc1CSc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000001063168 555617010 /nfs/dbraw/zinc/61/70/10/555617010.db2.gz JQJYNRATQJEFBD-UHFFFAOYSA-N 0 0 431.995 6.259 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc2ccccc21 ZINC000001062628 555617051 /nfs/dbraw/zinc/61/70/51/555617051.db2.gz IXUPSADGSPWPON-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000001064105 555617255 /nfs/dbraw/zinc/61/72/55/555617255.db2.gz FEQPIPXFTUYDRG-UHFFFAOYSA-N 0 0 438.483 5.992 50 0 IKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)CSc4ccc(Cl)cc4)c3)nc2c1 ZINC000001065358 555618142 /nfs/dbraw/zinc/61/81/42/555618142.db2.gz CBZFCRQSSDSXHZ-UHFFFAOYSA-N 0 0 438.936 6.196 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1OC ZINC000001067224 555619018 /nfs/dbraw/zinc/61/90/18/555619018.db2.gz XCKXSTSHPWGIQS-UHFFFAOYSA-N 0 0 430.938 5.948 50 0 IKAARN Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 ZINC000001067898 555619354 /nfs/dbraw/zinc/61/93/54/555619354.db2.gz OYCBGXHKCKELQU-UHFFFAOYSA-N 0 0 433.558 5.164 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc32)c(C(N)=O)c1C ZINC000001068322 555619635 /nfs/dbraw/zinc/61/96/35/555619635.db2.gz PNCHURFFIQUHRA-UHFFFAOYSA-N 0 0 429.545 5.548 50 0 aggregator IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000001068967 555619996 /nfs/dbraw/zinc/61/99/96/555619996.db2.gz WXDOOPNHOTUMIL-UHFFFAOYSA-N 0 0 428.473 5.071 50 0 IKAARN COc1cc(NC(=O)c2cccc(C)c2OC)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001068975 555620012 /nfs/dbraw/zinc/62/00/12/555620012.db2.gz CXNJTBARFYCCGJ-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000001070110 555620629 /nfs/dbraw/zinc/62/06/29/555620629.db2.gz XAHMTUJMBYRLDO-QFIPXVFZSA-N 0 0 443.572 5.463 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(C)c3nc4ccc(Cl)c(C)c4s3)o2)cc1 ZINC000001070235 555620800 /nfs/dbraw/zinc/62/08/00/555620800.db2.gz OWDYWPVCEMNHDP-UHFFFAOYSA-N 0 0 444.969 5.372 50 0 IKAARN Cc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Br ZINC000001070475 555620863 /nfs/dbraw/zinc/62/08/63/555620863.db2.gz LZDQKGBRYFXSLM-UHFFFAOYSA-N 0 0 435.277 5.178 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000001070954 555621131 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CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cc1 ZINC000001073895 555622868 /nfs/dbraw/zinc/62/28/68/555622868.db2.gz BULLOGUJBHRPNN-UHFFFAOYSA-N 0 0 431.879 5.379 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc32)c(C)c1 ZINC000001073915 555622900 /nfs/dbraw/zinc/62/29/00/555622900.db2.gz GCTMDAMQFYIWTQ-UHFFFAOYSA-N 0 0 428.488 5.488 50 0 IKAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c2c1 ZINC000001074109 555623188 /nfs/dbraw/zinc/62/31/88/555623188.db2.gz LIBBSNPPTBCSPQ-UHFFFAOYSA-N 0 0 436.515 5.094 50 0 IKAARN Cc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001074947 555623594 /nfs/dbraw/zinc/62/35/94/555623594.db2.gz DVVFWZLLCCQVJV-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)o1 ZINC000001076399 555624351 /nfs/dbraw/zinc/62/43/51/555624351.db2.gz FKLMZHKVNFTDPI-UHFFFAOYSA-N 0 0 436.558 5.202 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)s1 ZINC000001077890 555625041 /nfs/dbraw/zinc/62/50/41/555625041.db2.gz JRTSYPZBGWSVIZ-UHFFFAOYSA-N 0 0 425.966 5.933 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1sc2cc(Cl)ccc2c1Cl ZINC000001079624 555625591 /nfs/dbraw/zinc/62/55/91/555625591.db2.gz VDYXVLZNDVNLMD-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN O=C(Nc1ccc(Br)cn1)c1ccccc1NC(=O)c1ccccc1Cl ZINC000001081642 555626173 /nfs/dbraw/zinc/62/61/73/555626173.db2.gz IQFLVAGXMLLKNQ-UHFFFAOYSA-N 0 0 430.689 5.002 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@@H](C)C3)cc1 ZINC000001081629 555626199 /nfs/dbraw/zinc/62/61/99/555626199.db2.gz IIMLRLPKNPQVKJ-CQSZACIVSA-N 0 0 440.590 5.838 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@H](C)C3)cc1 ZINC000001081628 555626252 /nfs/dbraw/zinc/62/62/52/555626252.db2.gz IIMLRLPKNPQVKJ-AWEZNQCLSA-N 0 0 440.590 5.838 50 0 IKAARN O=C(COc1ccc2ccccc2c1Br)Nc1cc(Cl)cc(Cl)c1 ZINC000001087132 555626594 /nfs/dbraw/zinc/62/65/94/555626594.db2.gz PARSWLVDRQDMMQ-UHFFFAOYSA-N 0 0 425.109 5.927 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1sc2ccccc2c1Cl ZINC000001085384 555626648 /nfs/dbraw/zinc/62/66/48/555626648.db2.gz JMSULDCJPSKHFA-UHFFFAOYSA-N 0 0 448.997 5.372 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000001092492 555627190 /nfs/dbraw/zinc/62/71/90/555627190.db2.gz BAPOTDZZQQEVJN-ZQFKLAOWSA-N 0 0 447.456 5.666 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000001092493 555627195 /nfs/dbraw/zinc/62/71/95/555627195.db2.gz BAPOTDZZQQEVJN-VUUXHMSQSA-N 0 0 447.456 5.666 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000001093081 555627602 /nfs/dbraw/zinc/62/76/02/555627602.db2.gz SJZQCBYQFYCNRP-UHFFFAOYSA-N 0 0 426.520 5.486 50 0 IKAARN S=C(NC1c2ccccc2Oc2ccccc21)NC1c2ccccc2Oc2ccccc21 ZINC000001095048 555627897 /nfs/dbraw/zinc/62/78/97/555627897.db2.gz ZBMUJDZWWIGRPZ-UHFFFAOYSA-N 0 0 436.536 6.241 50 0 IKAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc(OC)c1OC ZINC000001101546 555629045 /nfs/dbraw/zinc/62/90/45/555629045.db2.gz AUDCPRZCCGPKAV-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN O=C(c1ccco1)N(Cc1cn(-c2ccccc2)nc1-c1cccs1)Cc1ccccc1 ZINC000001110844 555631374 /nfs/dbraw/zinc/63/13/74/555631374.db2.gz HMQDKGFNFOURSR-UHFFFAOYSA-N 0 0 439.540 6.036 50 0 IKAARN CCc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001110801 555631394 /nfs/dbraw/zinc/63/13/94/555631394.db2.gz AXMWAIALEVRTAW-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000001111854 555631997 /nfs/dbraw/zinc/63/19/97/555631997.db2.gz ZLEHSJRFRULQRO-UHFFFAOYSA-N 0 0 436.892 5.495 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc(-c3noc(COc4ccccc4C)n3)cc2)cc1 ZINC000001112997 555632687 /nfs/dbraw/zinc/63/26/87/555632687.db2.gz FEWNCGBATYJSJN-UHFFFAOYSA-N 0 0 443.503 5.204 50 0 IKAARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(Br)o1 ZINC000001113906 555633196 /nfs/dbraw/zinc/63/31/96/555633196.db2.gz MNQANIMMEQBNNZ-UHFFFAOYSA-N 0 0 447.292 5.490 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(-c3noc(Cc4ccc(Cl)cc4)n3)cc2)cc1 ZINC000001114535 555633442 /nfs/dbraw/zinc/63/34/42/555633442.db2.gz FIGISVRXYYFBOG-UHFFFAOYSA-N 0 0 433.895 5.171 50 0 IKAARN CCN(CC)C(=O)COc1ccc(-c2nnc(NCc3ccccc3)c3ccccc32)cc1 ZINC000001114514 555633480 /nfs/dbraw/zinc/63/34/80/555633480.db2.gz RMPVJQWOQTUQJJ-UHFFFAOYSA-N 0 0 440.547 5.156 50 0 IKAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc3c(c2)OCO3)c1Sc1ccccc1 ZINC000001115161 555634005 /nfs/dbraw/zinc/63/40/05/555634005.db2.gz AQGZRGBYQMIEMW-UHFFFAOYSA-N 0 0 430.485 5.280 50 0 IKAARN Cc1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1C ZINC000001115939 555634520 /nfs/dbraw/zinc/63/45/20/555634520.db2.gz QWYBVERHFDJBEC-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000001116727 555634873 /nfs/dbraw/zinc/63/48/73/555634873.db2.gz YPBRGLBMWNZBLA-MRXNPFEDSA-N 0 0 449.601 5.034 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000001119421 555636707 /nfs/dbraw/zinc/63/67/07/555636707.db2.gz RHFHSCZHOSQPHS-UHFFFAOYSA-N 0 0 449.919 5.647 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)cc1F ZINC000001120451 555637254 /nfs/dbraw/zinc/63/72/54/555637254.db2.gz CWBMHDQYUYAIOE-UHFFFAOYSA-N 0 0 441.414 5.470 50 0 IKAARN O=C(NC(=S)Nc1ccccc1Br)C(c1ccccc1)c1ccccc1 ZINC000001120572 555637569 /nfs/dbraw/zinc/63/75/69/555637569.db2.gz ZSEWYNWGGDSSHA-UHFFFAOYSA-N 0 0 425.351 5.094 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(I)c1 ZINC000001120749 555637625 /nfs/dbraw/zinc/63/76/25/555637625.db2.gz GKCDABRZAAIAAC-UHFFFAOYSA-N 0 0 427.285 5.452 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccccc1-2 ZINC000001121791 555638576 /nfs/dbraw/zinc/63/85/76/555638576.db2.gz DMLKKGLYLJIEIX-FQEVSTJZSA-N 0 0 433.924 5.382 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1 ZINC000001123006 555638775 /nfs/dbraw/zinc/63/87/75/555638775.db2.gz JPAKURWNKZEHAT-SFHVURJKSA-N 0 0 435.449 5.624 50 0 IKAARN COc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccnc2)cc1 ZINC000001122649 555638784 /nfs/dbraw/zinc/63/87/84/555638784.db2.gz IHOJXDRMOOSKES-UHFFFAOYSA-N 0 0 431.546 5.240 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1 ZINC000001123007 555638797 /nfs/dbraw/zinc/63/87/97/555638797.db2.gz JPAKURWNKZEHAT-GOSISDBHSA-N 0 0 435.449 5.624 50 0 IKAARN Cc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)o1 ZINC000001122692 555638818 /nfs/dbraw/zinc/63/88/18/555638818.db2.gz IGTKEDUZWXMVJN-HXUWFJFHSA-N 0 0 436.924 5.889 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000001123670 555639346 /nfs/dbraw/zinc/63/93/46/555639346.db2.gz RYGWIMFKRCLQAI-UHFFFAOYSA-N 0 0 426.501 6.267 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000001123729 555639374 /nfs/dbraw/zinc/63/93/74/555639374.db2.gz HUSGEQJCOVEWEB-UHFFFAOYSA-N 0 0 436.511 5.718 50 0 IKAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001124072 555639628 /nfs/dbraw/zinc/63/96/28/555639628.db2.gz HPXGJHRSFHSXQL-UHFFFAOYSA-N 0 0 441.940 5.143 50 0 IKAARN Cc1ccc(SCC(=O)Nc2ccccc2NC(=O)CSc2ccc(C)cc2)cc1 ZINC000001124633 555640031 /nfs/dbraw/zinc/64/00/31/555640031.db2.gz MSPPBMQHJADMFH-UHFFFAOYSA-N 0 0 436.602 5.765 50 0 IKAARN C[C@H](c1ccccc1)n1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 ZINC000001125090 555640243 /nfs/dbraw/zinc/64/02/43/555640243.db2.gz LGZJDOMWASTSDR-MRXNPFEDSA-N 0 0 425.941 5.241 50 0 IKAARN C[C@@H](c1ccccc1)n1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 ZINC000001125087 555640255 /nfs/dbraw/zinc/64/02/55/555640255.db2.gz LGZJDOMWASTSDR-INIZCTEOSA-N 0 0 425.941 5.241 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2-c2ccccc2)c(Cl)c1 ZINC000001125365 555640494 /nfs/dbraw/zinc/64/04/94/555640494.db2.gz XKHIUAZLGPVONI-UHFFFAOYSA-N 0 0 426.973 5.001 50 0 IKAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000001127746 555642243 /nfs/dbraw/zinc/64/22/43/555642243.db2.gz VNORJPLJMJDRQW-IBGZPJMESA-N 0 0 440.565 5.255 50 0 IKAARN Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000001129348 555643324 /nfs/dbraw/zinc/64/33/24/555643324.db2.gz FLHKQZSNGDBHSN-UHFFFAOYSA-N 0 0 440.590 5.225 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000001130921 555644476 /nfs/dbraw/zinc/64/44/76/555644476.db2.gz GNKVVOAJKZIWSG-UHFFFAOYSA-N 0 0 448.544 5.765 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)N[C@H](C)c1ccccc1 ZINC000001131119 555644531 /nfs/dbraw/zinc/64/45/31/555644531.db2.gz WYIJZAXDZVKRLO-UZLBHIALSA-N 0 0 433.581 5.309 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2C)cc1 ZINC000001132819 555645442 /nfs/dbraw/zinc/64/54/42/555645442.db2.gz LHNCSGRNZSTNEK-UHFFFAOYSA-N 0 0 440.878 5.194 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001135993 555646869 /nfs/dbraw/zinc/64/68/69/555646869.db2.gz YWYJNGSDFXUADH-UHFFFAOYSA-N 0 0 433.451 5.240 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Br ZINC000001140255 555649435 /nfs/dbraw/zinc/64/94/35/555649435.db2.gz KDTZQXZBASQPAH-UHFFFAOYSA-N 0 0 431.311 5.024 50 0 IKAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2C2CCCCC2)c1 ZINC000001140827 555649726 /nfs/dbraw/zinc/64/97/26/555649726.db2.gz BBMJVLGLJVNCEF-UHFFFAOYSA-N 0 0 425.554 5.290 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3cc(OC)ccc3OC)c3cc(C)cc(C)c3n2)c1 ZINC000001140684 555649752 /nfs/dbraw/zinc/64/97/52/555649752.db2.gz OSSVBHQWGKZPMU-UHFFFAOYSA-N 0 0 442.515 5.797 50 0 IKAARN COc1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1NC(=O)c1ccccc1Cl ZINC000001141047 555650008 /nfs/dbraw/zinc/65/00/08/555650008.db2.gz BHTLQFFCKXFYIW-UHFFFAOYSA-N 0 0 438.911 5.235 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000001141440 555650279 /nfs/dbraw/zinc/65/02/79/555650279.db2.gz XNTGHXFVZHJFPB-UHFFFAOYSA-N 0 0 437.952 5.282 50 0 IKAARN COc1ccc2sc(S[C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)nc2c1 ZINC000001141591 555650282 /nfs/dbraw/zinc/65/02/82/555650282.db2.gz MTKCYOFQOYXWFY-HNNXBMFYSA-N 0 0 439.345 5.036 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2CC)cc1 ZINC000001142413 555650603 /nfs/dbraw/zinc/65/06/03/555650603.db2.gz RNBIESXMRNZAAK-UHFFFAOYSA-N 0 0 438.597 5.294 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000001142589 555650945 /nfs/dbraw/zinc/65/09/45/555650945.db2.gz WLCTWGQCBPAZPJ-RUZDIDTESA-N 0 0 441.556 5.534 50 0 IKAARN COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2)cc1 ZINC000001142819 555650962 /nfs/dbraw/zinc/65/09/62/555650962.db2.gz ILADEOYTPHOEJG-LYBHJNIJSA-N 0 0 426.516 5.111 50 0 IKAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)cc1 ZINC000001142477 555650970 /nfs/dbraw/zinc/65/09/70/555650970.db2.gz HSYGUOHIKRDAKO-HNNXBMFYSA-N 0 0 444.988 5.210 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C ZINC000001143209 555651201 /nfs/dbraw/zinc/65/12/01/555651201.db2.gz LOAUSBBOKKUUKC-UHFFFAOYSA-N 0 0 444.604 5.415 50 0 IKAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N(c1ccccc1)c1ccccc1 ZINC000001143188 555651222 /nfs/dbraw/zinc/65/12/22/555651222.db2.gz AIUCLHLNRXWBMM-UHFFFAOYSA-N 0 0 447.585 5.320 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000001143542 555651488 /nfs/dbraw/zinc/65/14/88/555651488.db2.gz JWMVCBPQDJAFGI-UHFFFAOYSA-N 0 0 427.961 5.230 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)cc1 ZINC000001143733 555651714 /nfs/dbraw/zinc/65/17/14/555651714.db2.gz TZDNPYPPVWVKCA-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000001145445 555653008 /nfs/dbraw/zinc/65/30/08/555653008.db2.gz TVQLNIUPJBKYGN-UHFFFAOYSA-N 0 0 432.524 5.367 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccncc2)cc1C ZINC000001146228 555653579 /nfs/dbraw/zinc/65/35/79/555653579.db2.gz OZBUYHMTSKGVTH-UHFFFAOYSA-N 0 0 443.576 5.294 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)c(C)c1 ZINC000001149796 555655492 /nfs/dbraw/zinc/65/54/92/555655492.db2.gz TWXKOWVLNIGROE-GDLZYMKVSA-N 0 0 435.523 5.464 50 0 IKAARN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000001149688 555655516 /nfs/dbraw/zinc/65/55/16/555655516.db2.gz RSODIENGHHUZAR-UHFFFAOYSA-N 0 0 446.931 5.006 50 0 IKAARN COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000001149949 555655801 /nfs/dbraw/zinc/65/58/01/555655801.db2.gz RAAAPWBHQBVXJX-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CCc2ccccc2)cc1 ZINC000001150984 555656359 /nfs/dbraw/zinc/65/63/59/555656359.db2.gz KQHGRNSDTAAPEC-UHFFFAOYSA-N 0 0 434.590 5.289 50 0 IKAARN CCOc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc(Br)c1OCC ZINC000001152202 555656918 /nfs/dbraw/zinc/65/69/18/555656918.db2.gz BKOXOWZFDHMYJZ-SFHVURJKSA-N 0 0 440.337 5.874 50 0 IKAARN O=C(C[C@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000001152416 555656922 /nfs/dbraw/zinc/65/69/22/555656922.db2.gz BIVZAZHHURZDKO-PMERELPUSA-N 0 0 447.534 5.404 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1c2ccccc2CCc2ccccc21 ZINC000001154676 555658119 /nfs/dbraw/zinc/65/81/19/555658119.db2.gz LJAWYAFGKHANCU-UHFFFAOYSA-N 0 0 439.540 5.405 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000001155023 555658397 /nfs/dbraw/zinc/65/83/97/555658397.db2.gz DMAWMSNKWCBGAN-UHFFFAOYSA-N 0 0 442.968 5.121 50 0 IKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000001154970 555658399 /nfs/dbraw/zinc/65/83/99/555658399.db2.gz RKZBOHIBGCUVEA-URFUVCHWSA-N 0 0 448.349 5.738 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)cc1Cl ZINC000001156817 555659264 /nfs/dbraw/zinc/65/92/64/555659264.db2.gz DYSDBNSORRKSOB-UHFFFAOYSA-N 0 0 436.895 6.196 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000001156733 555659321 /nfs/dbraw/zinc/65/93/21/555659321.db2.gz ZHWRIYXOSXKYLF-UHFFFAOYSA-N 0 0 431.250 5.958 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000001157235 555659551 /nfs/dbraw/zinc/65/95/51/555659551.db2.gz HNKMQRZEDHYKBT-UHFFFAOYSA-N 0 0 439.846 5.449 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000001157682 555659883 /nfs/dbraw/zinc/65/98/83/555659883.db2.gz NAUBODQZDIKILN-NDENLUEZSA-N 0 0 436.464 5.069 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001158032 555660171 /nfs/dbraw/zinc/66/01/71/555660171.db2.gz XBYZRIXKDMPVDB-UHFFFAOYSA-N 0 0 446.161 5.791 50 0 IKAARN CN(C)c1ccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000001158586 555660497 /nfs/dbraw/zinc/66/04/97/555660497.db2.gz JAHWLYSLJAKCHE-VWLOTQADSA-N 0 0 440.572 5.380 50 0 IKAARN NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 ZINC000001158439 555660512 /nfs/dbraw/zinc/66/05/12/555660512.db2.gz CDXLDKGMVWNKKX-UHFFFAOYSA-N 0 0 445.338 5.001 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(=O)c1ccccc1)c1ccccc1-2 ZINC000001159485 555660813 /nfs/dbraw/zinc/66/08/13/555660813.db2.gz PHPRAFBJVKMTKH-NRFANRHFSA-N 0 0 432.530 5.060 50 0 IKAARN Cc1cc(Br)ccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001159622 555661208 /nfs/dbraw/zinc/66/12/08/555661208.db2.gz IINOBWIJCHARAR-UHFFFAOYSA-N 0 0 426.310 5.354 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000001160472 555661355 /nfs/dbraw/zinc/66/13/55/555661355.db2.gz YFQRZDUUQREIIU-UHFFFAOYSA-N 0 0 445.700 5.012 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1c(C)cc(C)cc1C)Nc1ccc(Br)cc1-2 ZINC000001160533 555661379 /nfs/dbraw/zinc/66/13/79/555661379.db2.gz GHYQUAZGBXGJJG-GOSISDBHSA-N 0 0 443.370 5.451 50 0 IKAARN Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1Br ZINC000001160249 555661540 /nfs/dbraw/zinc/66/15/40/555661540.db2.gz SCYMVCYVFDQZQE-UHFFFAOYSA-N 0 0 436.655 5.756 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)sc2c1 ZINC000001162305 555662305 /nfs/dbraw/zinc/66/23/05/555662305.db2.gz NYFTVNHODUPCSS-UHFFFAOYSA-N 0 0 447.891 5.493 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000001161740 555662322 /nfs/dbraw/zinc/66/23/22/555662322.db2.gz PRZDUIGANZETJU-MHZLTWQESA-N 0 0 447.962 5.513 50 0 IKAARN Cc1cc(I)ccc1NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000001162406 555662656 /nfs/dbraw/zinc/66/26/56/555662656.db2.gz RRLPCEQKZUCWCI-UHFFFAOYSA-N 0 0 427.241 5.751 50 0 IKAARN S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000001163766 555663297 /nfs/dbraw/zinc/66/32/97/555663297.db2.gz GEECSFUSFCALJO-UHFFFAOYSA-N 0 0 434.528 5.563 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)cc1 ZINC000001164767 555663522 /nfs/dbraw/zinc/66/35/22/555663522.db2.gz VQIHVNJYEXYLGL-UHFFFAOYSA-N 0 0 449.528 5.551 50 0 IKAARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000001165731 555663805 /nfs/dbraw/zinc/66/38/05/555663805.db2.gz GBXUUHCEVXOIEU-VQHVLOKHSA-N 0 0 436.364 5.114 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2cccs2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001165424 555663854 /nfs/dbraw/zinc/66/38/54/555663854.db2.gz GNHGPRPZHDGJGG-UHFFFAOYSA-N 0 0 435.530 5.182 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3C)o2)cc1Cl ZINC000001166235 555664021 /nfs/dbraw/zinc/66/40/21/555664021.db2.gz XRAWCHKFTFSLKF-UHFFFAOYSA-N 0 0 443.890 6.672 50 0 IKAARN Cc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000001166290 555664157 /nfs/dbraw/zinc/66/41/57/555664157.db2.gz AMIFLNGHGIFFAD-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000001166019 555664172 /nfs/dbraw/zinc/66/41/72/555664172.db2.gz CFBRTPXUUBFYFJ-JCMHNJIXSA-N 0 0 444.512 5.462 50 0 IKAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000001166786 555664312 /nfs/dbraw/zinc/66/43/12/555664312.db2.gz NOYHJKKZNGPTFL-XNTDXEJSSA-N 0 0 426.925 5.101 50 0 IKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000001166500 555664351 /nfs/dbraw/zinc/66/43/51/555664351.db2.gz FYXJVBMZCKHLBZ-UHFFFAOYSA-N 0 0 427.291 5.378 50 0 IKAARN Cc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001166698 555664396 /nfs/dbraw/zinc/66/43/96/555664396.db2.gz AGLYPWAEGQCQFD-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 ZINC000001166783 555664421 /nfs/dbraw/zinc/66/44/21/555664421.db2.gz ASUGHPLYFXJISN-UHFFFAOYSA-N 0 0 437.565 5.382 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1Cl ZINC000001167423 555664738 /nfs/dbraw/zinc/66/47/38/555664738.db2.gz LZLNJLIPSFKFRU-UHFFFAOYSA-N 0 0 431.673 6.064 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 ZINC000001168196 555665279 /nfs/dbraw/zinc/66/52/79/555665279.db2.gz UGROLCMXIFZHQM-PGAZUGQPSA-N 0 0 427.931 5.609 50 0 IKAARN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000001167956 555665282 /nfs/dbraw/zinc/66/52/82/555665282.db2.gz ATEJGGNNIRTXLI-RSZPVBOMSA-N 0 0 438.549 5.156 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(I)cc1 ZINC000001168324 555665312 /nfs/dbraw/zinc/66/53/12/555665312.db2.gz RAXVRPCUFLVZMQ-UHFFFAOYSA-N 0 0 439.256 5.087 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 ZINC000001168194 555665334 /nfs/dbraw/zinc/66/53/34/555665334.db2.gz UGROLCMXIFZHQM-ZOVQAKDCSA-N 0 0 427.931 5.609 50 0 IKAARN Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2Cl)cc1Cl ZINC000001169020 555665561 /nfs/dbraw/zinc/66/55/61/555665561.db2.gz YDRHLNZKTMEQMK-UHFFFAOYSA-N 0 0 425.271 5.355 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1Cl ZINC000001169763 555665901 /nfs/dbraw/zinc/66/59/01/555665901.db2.gz BIHPZRUSZWJQPE-UHFFFAOYSA-N 0 0 447.672 5.765 50 0 IKAARN O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001169977 555665908 /nfs/dbraw/zinc/66/59/08/555665908.db2.gz SIZMCMYWPDCEPA-UHFFFAOYSA-N 0 0 425.513 5.469 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)c(Br)c(OC)c1OC ZINC000001170887 555666463 /nfs/dbraw/zinc/66/64/63/555666463.db2.gz IWWCGRJYDLVRGX-OAHLLOKOSA-N 0 0 442.309 5.102 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)c(Br)c(OC)c1OC ZINC000001170886 555666485 /nfs/dbraw/zinc/66/64/85/555666485.db2.gz IWWCGRJYDLVRGX-HNNXBMFYSA-N 0 0 442.309 5.102 50 0 IKAARN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)ccc2o1 ZINC000001171558 555666966 /nfs/dbraw/zinc/66/69/66/555666966.db2.gz NKYZAJBTMYJIRZ-UHFFFAOYSA-N 0 0 445.544 5.717 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1C ZINC000001171423 555667000 /nfs/dbraw/zinc/66/70/00/555667000.db2.gz JFIFFLMZTYROCG-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000001172482 555667526 /nfs/dbraw/zinc/66/75/26/555667526.db2.gz SJMKDIFMELSTNX-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCCC2)C1 ZINC000001172355 555667553 /nfs/dbraw/zinc/66/75/53/555667553.db2.gz HGDRCMFWRJXTJK-OAHLLOKOSA-N 0 0 428.573 5.527 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2C)cc1 ZINC000001172390 555667567 /nfs/dbraw/zinc/66/75/67/555667567.db2.gz HHCFMMHJLLIUAF-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1 ZINC000001172188 555667598 /nfs/dbraw/zinc/66/75/98/555667598.db2.gz HPCAVQMYROIFIA-UHFFFAOYSA-N 0 0 435.480 5.159 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C(N)=O)C1 ZINC000001172984 555667879 /nfs/dbraw/zinc/66/78/79/555667879.db2.gz MMHMLNDJTCOGPI-LBPRGKRZSA-N 0 0 435.387 5.013 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)ccc1Cl ZINC000001172666 555667914 /nfs/dbraw/zinc/66/79/14/555667914.db2.gz QHCUPCVNTNBIHP-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 ZINC000001173033 555668226 /nfs/dbraw/zinc/66/82/26/555668226.db2.gz WPLIJGODVHHMLJ-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(OC)c4)c3)nc2c1 ZINC000001173180 555668231 /nfs/dbraw/zinc/66/82/31/555668231.db2.gz DBGGETAMKXHWTG-UHFFFAOYSA-N 0 0 431.517 5.193 50 0 IKAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccccc1F ZINC000001173441 555668473 /nfs/dbraw/zinc/66/84/73/555668473.db2.gz ZINBZWBKFGUECA-UHFFFAOYSA-N 0 0 436.508 5.257 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 ZINC000001174312 555668932 /nfs/dbraw/zinc/66/89/32/555668932.db2.gz MYWNFRXQXKLWBZ-UHFFFAOYSA-N 0 0 431.517 5.329 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001174459 555669015 /nfs/dbraw/zinc/66/90/15/555669015.db2.gz SQVKXRPQAYVLDD-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1C ZINC000001175619 555669488 /nfs/dbraw/zinc/66/94/88/555669488.db2.gz JVTGCNDMWIGVBK-UHFFFAOYSA-N 0 0 442.500 5.380 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001176205 555669717 /nfs/dbraw/zinc/66/97/17/555669717.db2.gz KWCLIVIGXUMYTL-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000001176290 555669755 /nfs/dbraw/zinc/66/97/55/555669755.db2.gz PHYUPEFPNZBQBT-UHFFFAOYSA-N 0 0 437.528 5.009 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000001177166 555670311 /nfs/dbraw/zinc/67/03/11/555670311.db2.gz LYJBVUZPVOMSKC-UHFFFAOYSA-N 0 0 428.473 5.071 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001177992 555670640 /nfs/dbraw/zinc/67/06/40/555670640.db2.gz NACFRXVBMNSUCN-UHFFFAOYSA-N 0 0 428.473 5.071 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nc2ccccc2o1 ZINC000001177910 555670651 /nfs/dbraw/zinc/67/06/51/555670651.db2.gz XTNVAQDHVNJXIN-UHFFFAOYSA-N 0 0 438.530 5.464 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1Br ZINC000001179825 555671156 /nfs/dbraw/zinc/67/11/56/555671156.db2.gz SROSPRYRHXBORR-UHFFFAOYSA-N 0 0 426.097 5.972 50 0 IKAARN CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)C1=O ZINC000001179700 555671202 /nfs/dbraw/zinc/67/12/02/555671202.db2.gz YJEIMRMGDMDMOI-WQRHYEAKSA-N 0 0 432.339 5.393 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001179205 555671206 /nfs/dbraw/zinc/67/12/06/555671206.db2.gz PYTIIDQXRVDHDD-UHFFFAOYSA-N 0 0 433.188 6.367 50 0 IKAARN O=C(COc1ccccc1)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000001179979 555671452 /nfs/dbraw/zinc/67/14/52/555671452.db2.gz FNHOZOKVDOJXTC-UHFFFAOYSA-N 0 0 437.908 5.040 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001181225 555671927 /nfs/dbraw/zinc/67/19/27/555671927.db2.gz UTRRPDQCXCDJLN-DHZHZOJOSA-N 0 0 434.908 5.070 50 0 IKAARN COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1Br ZINC000001183389 555673151 /nfs/dbraw/zinc/67/31/51/555673151.db2.gz LWVTZEBFLTUYRO-SXGWCWSVSA-N 0 0 438.730 5.348 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1cccs1 ZINC000001184196 555673429 /nfs/dbraw/zinc/67/34/29/555673429.db2.gz HBNGWTGLJMOUDK-UHFFFAOYSA-N 0 0 427.938 5.645 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)cc1 ZINC000001185147 555673669 /nfs/dbraw/zinc/67/36/69/555673669.db2.gz LWIYUDFUAMACTJ-UHFFFAOYSA-N 0 0 434.904 6.624 50 0 IKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)o1 ZINC000001185173 555673680 /nfs/dbraw/zinc/67/36/80/555673680.db2.gz FFUSHYLHZWXXIU-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2cccc(C)n2)Nc2ccccc2-3)cc1 ZINC000001184891 555673727 /nfs/dbraw/zinc/67/37/27/555673727.db2.gz BBYOWEBGISTMLH-JOCHJYFZSA-N 0 0 427.533 5.346 50 0 IKAARN CCCc1sc(NC(=O)c2ccc(OC)c(Br)c2)nc1-c1ccc(F)cc1 ZINC000001185793 555673976 /nfs/dbraw/zinc/67/39/76/555673976.db2.gz WVBUXIMALRWGED-UHFFFAOYSA-N 0 0 449.345 5.925 50 0 IKAARN COc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000001186257 555674333 /nfs/dbraw/zinc/67/43/33/555674333.db2.gz YDJVOZNVYRJFOW-UHFFFAOYSA-N 0 0 443.286 5.828 50 0 IKAARN COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001187056 555674578 /nfs/dbraw/zinc/67/45/78/555674578.db2.gz QRZXGQUITUCURG-QFIPXVFZSA-N 0 0 441.449 5.667 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3O)oc2cc1C ZINC000001186537 555674619 /nfs/dbraw/zinc/67/46/19/555674619.db2.gz UPQXXCXLOBEEDM-UHFFFAOYSA-N 0 0 427.254 5.425 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Br)cc1F ZINC000001188114 555674929 /nfs/dbraw/zinc/67/49/29/555674929.db2.gz DFJFDYROZJHKNA-UHFFFAOYSA-N 0 0 444.087 6.111 50 0 IKAARN COc1cc(NC(=O)c2cccc(C)c2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000001187478 555675000 /nfs/dbraw/zinc/67/50/00/555675000.db2.gz WHSJIMNFZSWXLE-UHFFFAOYSA-N 0 0 429.303 5.815 50 0 IKAARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 ZINC000001188950 555675201 /nfs/dbraw/zinc/67/52/01/555675201.db2.gz MKTPKSLBZWNMEK-JOCHJYFZSA-N 0 0 433.508 5.050 50 0 IKAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCCC3)cc1 ZINC000001188649 555675225 /nfs/dbraw/zinc/67/52/25/555675225.db2.gz IHMXSBQHESVMEZ-UHFFFAOYSA-N 0 0 435.549 5.315 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000001188592 555675228 /nfs/dbraw/zinc/67/52/28/555675228.db2.gz MSUMDPHYEZCMAU-UHFFFAOYSA-N 0 0 442.968 5.121 50 0 IKAARN Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000001188827 555675235 /nfs/dbraw/zinc/67/52/35/555675235.db2.gz LDNZPZFZLRRLDW-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000001189983 555675567 /nfs/dbraw/zinc/67/55/67/555675567.db2.gz FNDAEYBHNJDGLW-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000001193392 555676140 /nfs/dbraw/zinc/67/61/40/555676140.db2.gz CZUUICZWOLZUIG-YVLHZVERSA-N 0 0 443.883 5.473 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001193324 555676159 /nfs/dbraw/zinc/67/61/59/555676159.db2.gz IWXGILRMKLSACU-BOPFTXTBSA-N 0 0 425.893 5.334 50 0 IKAARN COc1ccc(OC)c(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000001195248 555676642 /nfs/dbraw/zinc/67/66/42/555676642.db2.gz UTVRIPBZIWGZBZ-MRXNPFEDSA-N 0 0 445.346 5.592 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000001196164 555676655 /nfs/dbraw/zinc/67/66/55/555676655.db2.gz LSIRRXVXECIPON-UHFFFAOYSA-N 0 0 435.332 5.355 50 0 IKAARN O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000001196257 555676661 /nfs/dbraw/zinc/67/66/61/555676661.db2.gz RPAGNQBIAKFCNN-UHFFFAOYSA-N 0 0 432.321 5.232 50 0 IKAARN CCn1c2cc(C)c(C)cc2n2c1nc(-c1ccccc1)c2[C@H](O)C(Cl)(Cl)Cl ZINC000001195081 555676680 /nfs/dbraw/zinc/67/66/80/555676680.db2.gz JYEMRNVTRGQUKT-IBGZPJMESA-N 0 0 436.770 5.996 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001196590 555676931 /nfs/dbraw/zinc/67/69/31/555676931.db2.gz PUHRVYLSWRXORZ-QWRGUYRKSA-N 0 0 442.894 5.533 50 0 IKAARN O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000001196770 555677027 /nfs/dbraw/zinc/67/70/27/555677027.db2.gz ILVHDRJNDQQWIV-UHFFFAOYSA-N 0 0 432.321 5.232 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)cc1 ZINC000001200387 555678217 /nfs/dbraw/zinc/67/82/17/555678217.db2.gz JTCFETOSWLEEHZ-UHFFFAOYSA-N 0 0 432.907 6.215 50 0 IKAARN CCOc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc(OCC)c1OCC ZINC000001200502 555678228 /nfs/dbraw/zinc/67/82/28/555678228.db2.gz XSLCCECAYHHODL-UHFFFAOYSA-N 0 0 426.538 5.567 50 0 IKAARN CCC[C@H]1CCc2c(sc(NC(=O)c3sc4cc(C)ccc4c3Cl)c2C(N)=O)C1 ZINC000001200773 555678484 /nfs/dbraw/zinc/67/84/84/555678484.db2.gz DAKACOSHNIEOAY-LBPRGKRZSA-N 0 0 447.025 6.181 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 ZINC000001201182 555678503 /nfs/dbraw/zinc/67/85/03/555678503.db2.gz LATGWFLIJRZQAB-IBGZPJMESA-N 0 0 444.398 5.004 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(Br)o1 ZINC000001203844 555679655 /nfs/dbraw/zinc/67/96/55/555679655.db2.gz XYQFMJGTQNYHPR-UHFFFAOYSA-N 0 0 435.636 5.895 50 0 IKAARN CCc1ccc(-c2nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3o2)cc1 ZINC000001204244 555679684 /nfs/dbraw/zinc/67/96/84/555679684.db2.gz ZSNRUEJFJWNDFF-UHFFFAOYSA-N 0 0 432.476 5.335 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1 ZINC000001205211 555680245 /nfs/dbraw/zinc/68/02/45/555680245.db2.gz XPMZLELZLOUAHK-UHFFFAOYSA-N 0 0 432.288 5.521 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001207306 555680844 /nfs/dbraw/zinc/68/08/44/555680844.db2.gz LJJGIULEGRYUDR-UHFFFAOYSA-N 0 0 430.847 6.366 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000001207114 555680943 /nfs/dbraw/zinc/68/09/43/555680943.db2.gz QXOVVKBFRXEIKD-UHFFFAOYSA-N 0 0 441.256 5.657 50 0 IKAARN O=C(Nc1ccc2ccccc2c1)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 ZINC000001207405 555680951 /nfs/dbraw/zinc/68/09/51/555680951.db2.gz HLJCDDXMCWIUBK-UHFFFAOYSA-N 0 0 432.426 5.946 50 0 IKAARN CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000001206853 555680960 /nfs/dbraw/zinc/68/09/60/555680960.db2.gz HNINNAARRMEQDE-FMIVXFBMSA-N 0 0 429.303 6.254 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1 ZINC000001207816 555681158 /nfs/dbraw/zinc/68/11/58/555681158.db2.gz XIIGDHVVNPNZCS-UHFFFAOYSA-N 0 0 430.891 6.006 50 0 IKAARN Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)cccc1-c1nc2ncccc2o1 ZINC000001208566 555681212 /nfs/dbraw/zinc/68/12/12/555681212.db2.gz TXJJESUSXOSYPT-UHFFFAOYSA-N 0 0 435.483 6.030 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc1Cl ZINC000001207805 555681326 /nfs/dbraw/zinc/68/13/26/555681326.db2.gz FOTXYAPAOKGTPC-UHFFFAOYSA-N 0 0 436.851 5.180 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001210088 555681951 /nfs/dbraw/zinc/68/19/51/555681951.db2.gz KFBBEJYYUNHKCG-UHFFFAOYSA-N 0 0 430.891 6.006 50 0 IKAARN Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(NC(=O)c3ccccc3)c2)cc1 ZINC000001210332 555682230 /nfs/dbraw/zinc/68/22/30/555682230.db2.gz VUJPEOINSAVHRQ-UHFFFAOYSA-N 0 0 449.510 5.752 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000001211901 555682447 /nfs/dbraw/zinc/68/24/47/555682447.db2.gz SDKQYQYRMCBUPH-UHFFFAOYSA-N 0 0 430.891 6.413 50 0 IKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Br)o1 ZINC000001212352 555682471 /nfs/dbraw/zinc/68/24/71/555682471.db2.gz AHKLQYSOEPFOPH-UHFFFAOYSA-N 0 0 425.282 6.028 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 ZINC000001215302 555683664 /nfs/dbraw/zinc/68/36/64/555683664.db2.gz JHMIAXBDNGQWSM-UHFFFAOYSA-N 0 0 440.590 5.982 50 0 IKAARN CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br ZINC000001215985 555683946 /nfs/dbraw/zinc/68/39/46/555683946.db2.gz CFUVKXMWZFVSBB-KRWDZBQOSA-N 0 0 439.353 5.515 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1Br ZINC000001215839 555683955 /nfs/dbraw/zinc/68/39/55/555683955.db2.gz YLXTXVACSJRBEP-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000001215791 555683962 /nfs/dbraw/zinc/68/39/62/555683962.db2.gz GJAYEOHZRIJVNU-UHFFFAOYSA-N 0 0 436.939 5.907 50 0 IKAARN Cc1cc2ncn(C[C@H](O)COc3ccc4ccccc4c3Br)c2cc1C ZINC000001215645 555683978 /nfs/dbraw/zinc/68/39/78/555683978.db2.gz RVTIYJVWGJKANT-KRWDZBQOSA-N 0 0 425.326 5.009 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cc2ccccc2o1 ZINC000001216609 555684206 /nfs/dbraw/zinc/68/42/06/555684206.db2.gz HLQIKQPWZLDQSW-UHFFFAOYSA-N 0 0 433.261 6.256 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)c1 ZINC000001217188 555684515 /nfs/dbraw/zinc/68/45/15/555684515.db2.gz ATUZWZBUBQXGIP-UHFFFAOYSA-N 0 0 448.788 5.116 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 ZINC000001217902 555684814 /nfs/dbraw/zinc/68/48/14/555684814.db2.gz YQVFEEFBFDXPNT-GFCCVEGCSA-N 0 0 449.414 5.403 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)c3ccccc3n2)cc1OC ZINC000001218660 555685085 /nfs/dbraw/zinc/68/50/85/555685085.db2.gz PIYBBNXEDKSCFN-UHFFFAOYSA-N 0 0 426.516 6.097 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000001225939 555686295 /nfs/dbraw/zinc/68/62/95/555686295.db2.gz FJFADLXKPKKGLD-ZKKFKWFVSA-N 0 0 444.328 5.020 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000001225938 555686302 /nfs/dbraw/zinc/68/63/02/555686302.db2.gz FJFADLXKPKKGLD-LQDNNDEMSA-N 0 0 444.328 5.020 50 0 IKAARN O=C1C2(CCC13COC(c1ccc(Cl)cc1)OC3)COC(c1ccc(Cl)cc1)OC2 ZINC000001229623 555686305 /nfs/dbraw/zinc/68/63/05/555686305.db2.gz KMUNDXISPVWRBD-UHFFFAOYSA-N 0 0 449.330 5.120 50 0 IKAARN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000001230621 555686526 /nfs/dbraw/zinc/68/65/26/555686526.db2.gz PRBKDGWKISTYRW-UHFFFAOYSA-N 0 0 435.332 5.355 50 0 IKAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000001236622 555687083 /nfs/dbraw/zinc/68/70/83/555687083.db2.gz KVHYVNYSIHRMFU-SFHVURJKSA-N 0 0 438.549 5.018 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)Cc1ccccc1 ZINC000001262669 555688108 /nfs/dbraw/zinc/68/81/08/555688108.db2.gz DIIYESSGHCJXJO-UHFFFAOYSA-N 0 0 433.558 5.028 50 0 IKAARN CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC ZINC000001306057 555689660 /nfs/dbraw/zinc/68/96/60/555689660.db2.gz ZLIUGBVTSLZJQR-QHCPKHFHSA-N 0 0 429.545 5.690 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)c1ccc2ccccc2c1 ZINC000010246211 555692510 /nfs/dbraw/zinc/69/25/10/555692510.db2.gz BSDJXDGLWJLVIR-UHFFFAOYSA-N 0 0 442.421 6.369 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccccc1 ZINC000009797687 555693117 /nfs/dbraw/zinc/69/31/17/555693117.db2.gz MEWIAEVCTXAPAU-UHFFFAOYSA-N 0 0 435.578 5.128 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)c3ccccc3-c3ccccc3)C(C)C)n2)cc1 ZINC000010537175 555693738 /nfs/dbraw/zinc/69/37/38/555693738.db2.gz LJKLLQCUOUKLBJ-UHFFFAOYSA-N 0 0 427.504 5.463 50 0 IKAARN COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 ZINC000001407291 555693744 /nfs/dbraw/zinc/69/37/44/555693744.db2.gz QLLXNQXHEKCDFP-HXUWFJFHSA-N 0 0 429.564 5.350 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2ncccc2o1 ZINC000001408524 555694061 /nfs/dbraw/zinc/69/40/61/555694061.db2.gz APHTZJJNRAGSCM-UHFFFAOYSA-N 0 0 444.560 5.623 50 0 IKAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)c1C ZINC000001413983 555694882 /nfs/dbraw/zinc/69/48/82/555694882.db2.gz ICGMSPTVEZGQPH-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3O)nc2c1 ZINC000001413908 555694952 /nfs/dbraw/zinc/69/49/52/555694952.db2.gz KCOXJWWDWNRVPE-UHFFFAOYSA-N 0 0 437.908 5.289 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 ZINC000001413878 555694979 /nfs/dbraw/zinc/69/49/79/555694979.db2.gz RZQACFBRGGZCEU-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)Nc1ccccc1C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000001425962 555695815 /nfs/dbraw/zinc/69/58/15/555695815.db2.gz DZHOBNVPOKBJLP-UHFFFAOYSA-N 0 0 446.934 5.790 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(OC)c1OC ZINC000001428360 555696159 /nfs/dbraw/zinc/69/61/59/555696159.db2.gz PYKVJFMDAMKMOG-UHFFFAOYSA-N 0 0 429.925 5.769 50 0 IKAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001431964 555696507 /nfs/dbraw/zinc/69/65/07/555696507.db2.gz TVAYOGMRSSKVGF-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=S)Nc1ccccc1 ZINC000001436981 555696871 /nfs/dbraw/zinc/69/68/71/555696871.db2.gz GIOKAVLXKDLOCR-UHFFFAOYSA-N 0 0 442.562 5.418 50 0 IKAARN CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001445244 555698717 /nfs/dbraw/zinc/69/87/17/555698717.db2.gz NEOVNFZBFODWMD-UHFFFAOYSA-N 0 0 435.387 5.487 50 0 IKAARN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccco2)cc1 ZINC000001447609 555699631 /nfs/dbraw/zinc/69/96/31/555699631.db2.gz XFNHETURQZYIMK-UHFFFAOYSA-N 0 0 445.320 6.055 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2Cl)N2CCOCC2)c1C ZINC000001448776 555699656 /nfs/dbraw/zinc/69/96/56/555699656.db2.gz ORHCYFBMDNVVMJ-HXUWFJFHSA-N 0 0 430.957 5.285 50 0 IKAARN COc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc(Cl)c1OCCC(C)C ZINC000010540383 555701952 /nfs/dbraw/zinc/70/19/52/555701952.db2.gz DEKNWINOKGNELT-UHFFFAOYSA-N 0 0 441.959 5.828 50 0 IKAARN CCSc1ccc(C(=O)Nc2ccc(SCc3nc(OC)cc(OC)n3)cc2)cc1 ZINC000001501445 555702225 /nfs/dbraw/zinc/70/22/25/555702225.db2.gz NPOGEKLFBOSOAR-UHFFFAOYSA-N 0 0 441.578 5.150 50 0 IKAARN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000001529439 555702450 /nfs/dbraw/zinc/70/24/50/555702450.db2.gz GVJHHUAWPYXKBD-QLVXXPONSA-N 0 0 430.717 8.840 50 0 in-man IKAARN O=c1c2ccccc2nc(-c2ccccc2)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001572106 555703756 /nfs/dbraw/zinc/70/37/56/555703756.db2.gz LUSPTSCBHLRTMH-UHFFFAOYSA-N 0 0 434.339 6.090 50 0 IKAARN O=C(NCCc1ccccc1)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 ZINC000001636891 555707393 /nfs/dbraw/zinc/70/73/93/555707393.db2.gz PKMMAATXOOEUIU-JCMHNJIXSA-N 0 0 439.342 5.123 50 0 IKAARN ClC(Cl)(Cl)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001640863 555707916 /nfs/dbraw/zinc/70/79/16/555707916.db2.gz YPWDDFGPYBIPBG-UHFFFAOYSA-N 0 0 443.393 6.714 50 0 IKAARN Clc1ccc(CSc2n[nH]c(SCc3ccc(Cl)cc3)c3ncnc2-3)cc1 ZINC000001692113 555709631 /nfs/dbraw/zinc/70/96/31/555709631.db2.gz HNCRPRCOGKJGGE-UHFFFAOYSA-N 0 0 433.389 6.244 50 0 IKAARN COc1cc(OC)nc(-c2sc3ccccc3c2OCc2cccc(C(F)(F)F)c2)n1 ZINC000001742595 555711759 /nfs/dbraw/zinc/71/17/59/555711759.db2.gz GFWWXTWKKQTWPZ-UHFFFAOYSA-N 0 0 446.450 5.973 50 0 IKAARN COC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000001748801 555712163 /nfs/dbraw/zinc/71/21/63/555712163.db2.gz WXISAZWKZOCFEC-MHZLTWQESA-N 0 0 435.523 6.028 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000001748160 555712175 /nfs/dbraw/zinc/71/21/75/555712175.db2.gz QONFPLIAJNEYKD-KPKJPENVSA-N 0 0 442.342 6.541 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CC[C@@H](C)C2 ZINC000001747152 555712213 /nfs/dbraw/zinc/71/22/13/555712213.db2.gz WNXLMSLRYSYLNI-MRXNPFEDSA-N 0 0 429.582 5.499 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 ZINC000001754657 555712455 /nfs/dbraw/zinc/71/24/55/555712455.db2.gz BBZPBFPOVQBCKV-LJQANCHMSA-N 0 0 442.650 6.135 50 0 IKAARN O=C(COc1ccccc1Br)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001768757 555712967 /nfs/dbraw/zinc/71/29/67/555712967.db2.gz WLJZDAUILRYBJM-UHFFFAOYSA-N 0 0 444.712 5.351 50 0 IKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001772411 555713779 /nfs/dbraw/zinc/71/37/79/555713779.db2.gz OMGNROPAXNMNRU-UHFFFAOYSA-N 0 0 438.435 5.966 50 0 biogenic IKAARN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775134 555714033 /nfs/dbraw/zinc/71/40/33/555714033.db2.gz QLJAJEGLWNTWDS-SFHVURJKSA-N 0 0 430.884 5.576 50 0 IKAARN COc1ccc(CSc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000001776687 555714087 /nfs/dbraw/zinc/71/40/87/555714087.db2.gz XACKOLFEFBZFNS-UHFFFAOYSA-N 0 0 428.526 6.150 50 0 IKAARN COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1Cl ZINC000001777409 555714299 /nfs/dbraw/zinc/71/42/99/555714299.db2.gz SVEFBUNYYDAPSF-UHFFFAOYSA-N 0 0 446.728 5.796 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000001779496 555714601 /nfs/dbraw/zinc/71/46/01/555714601.db2.gz XGGPZTDCYSXFJW-NSHDSACASA-N 0 0 441.380 5.076 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)CCCC2 ZINC000001782991 555714886 /nfs/dbraw/zinc/71/48/86/555714886.db2.gz NRCQAQYJACWZNH-UHFFFAOYSA-N 0 0 432.592 5.144 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cc2ccccc2oc1=O ZINC000001783162 555714893 /nfs/dbraw/zinc/71/48/93/555714893.db2.gz KSNPIAPDSLIDHO-UHFFFAOYSA-N 0 0 447.512 5.567 50 0 IKAARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000010434545 555715296 /nfs/dbraw/zinc/71/52/96/555715296.db2.gz PYUQOWJVTZAOTK-QFIPXVFZSA-N 0 0 426.545 5.689 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1 ZINC000001791689 555715921 /nfs/dbraw/zinc/71/59/21/555715921.db2.gz IFOPBBPSHKEUSG-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN COc1cc(C)ccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001792499 555715986 /nfs/dbraw/zinc/71/59/86/555715986.db2.gz NTFBRTGANCMBEA-UHFFFAOYSA-N 0 0 434.923 5.503 50 0 IKAARN COc1cccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001792119 555715997 /nfs/dbraw/zinc/71/59/97/555715997.db2.gz GAFCHVDUQPGURQ-UHFFFAOYSA-N 0 0 434.923 5.585 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(=O)Nc3ccccc3)sc2c1 ZINC000001794840 555716290 /nfs/dbraw/zinc/71/62/90/555716290.db2.gz NBVJBFJDWNDGAP-UHFFFAOYSA-N 0 0 436.920 6.068 50 0 IKAARN COc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1I ZINC000001796949 555716610 /nfs/dbraw/zinc/71/66/10/555716610.db2.gz BPIWGDYBHWCOPG-UHFFFAOYSA-N 0 0 430.241 5.186 50 0 IKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(C(=O)OC)cc1)CCC3 ZINC000001799428 555716613 /nfs/dbraw/zinc/71/66/13/555716613.db2.gz WUCNZFRISIUFQT-UHFFFAOYSA-N 0 0 434.532 5.770 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccc(Br)cc1 ZINC000001801260 555717031 /nfs/dbraw/zinc/71/70/31/555717031.db2.gz BAOKMTILQAURAM-UHFFFAOYSA-N 0 0 442.165 6.056 50 0 IKAARN COc1ccc(CCNc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1OC ZINC000001801877 555717190 /nfs/dbraw/zinc/71/71/90/555717190.db2.gz LDBNPMSAXOTFMD-UHFFFAOYSA-N 0 0 425.941 5.684 50 0 IKAARN Cc1sc2nc(SCCCC(=O)Nc3ccccc3C(F)(F)F)[nH]c(=O)c2c1C ZINC000001805496 555717540 /nfs/dbraw/zinc/71/75/40/555717540.db2.gz NHSAHTQPIZTQGK-UHFFFAOYSA-N 0 0 441.500 5.131 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1CC[C@@H](C)C2 ZINC000001807810 555717765 /nfs/dbraw/zinc/71/77/65/555717765.db2.gz DTMFNTJJPUDQHI-OAHLLOKOSA-N 0 0 429.582 5.365 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1CC[C@H](C)C2 ZINC000001807808 555717775 /nfs/dbraw/zinc/71/77/75/555717775.db2.gz DTMFNTJJPUDQHI-HNNXBMFYSA-N 0 0 429.582 5.365 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000001807811 555717837 /nfs/dbraw/zinc/71/78/37/555717837.db2.gz HSLZWKCHHKDEHN-HNNXBMFYSA-N 0 0 429.582 5.365 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001816062 555718452 /nfs/dbraw/zinc/71/84/52/555718452.db2.gz AENMFTDKNPGEBZ-UHFFFAOYSA-N 0 0 437.927 6.010 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001817563 555718473 /nfs/dbraw/zinc/71/84/73/555718473.db2.gz GLEAPYNFKZNSGG-UHFFFAOYSA-N 0 0 441.987 7.342 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(F)cc1 ZINC000001816488 555718475 /nfs/dbraw/zinc/71/84/75/555718475.db2.gz LNRLSDIGAHSWEM-XMMPIXPASA-N 0 0 432.886 5.888 50 0 IKAARN O=c1oc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)oc(=O)c4c3)cc21 ZINC000001814811 555718487 /nfs/dbraw/zinc/71/84/87/555718487.db2.gz APEKLYZVDBXPCS-UHFFFAOYSA-N 0 0 444.446 5.690 50 0 biogenic IKAARN CC(C)(C)c1cc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc(C(C)(C)C)c1 ZINC000001824061 555718754 /nfs/dbraw/zinc/71/87/54/555718754.db2.gz QCYMSDUQSNOKAB-UHFFFAOYSA-N 0 0 438.571 7.111 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 ZINC000001827861 555719065 /nfs/dbraw/zinc/71/90/65/555719065.db2.gz FGKFLIXXROEYQJ-SFHVURJKSA-N 0 0 428.623 5.745 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1 ZINC000001829341 555719077 /nfs/dbraw/zinc/71/90/77/555719077.db2.gz UWZHHNXWJGQUBE-UHFFFAOYSA-N 0 0 441.325 5.580 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2 ZINC000001833849 555719134 /nfs/dbraw/zinc/71/91/34/555719134.db2.gz YPWSVPXYUJWHPU-UHFFFAOYSA-N 0 0 443.330 6.783 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001838866 555719672 /nfs/dbraw/zinc/71/96/72/555719672.db2.gz BHWOVOFPQLXZFI-UHFFFAOYSA-N 0 0 434.491 5.933 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001839108 555719708 /nfs/dbraw/zinc/71/97/08/555719708.db2.gz SSWIUIBFKFPANE-HHHXNRCGSA-N 0 0 449.506 6.028 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001839109 555719746 /nfs/dbraw/zinc/71/97/46/555719746.db2.gz SSWIUIBFKFPANE-MHZLTWQESA-N 0 0 449.506 6.028 50 0 IKAARN CC(C)(c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000001849414 555720510 /nfs/dbraw/zinc/72/05/10/555720510.db2.gz XOWBJNIJFIUJJT-UHFFFAOYSA-N 0 0 436.507 6.451 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc2)cc1 ZINC000001849371 555720523 /nfs/dbraw/zinc/72/05/23/555720523.db2.gz LYZNNTXPKPTPKL-MHZLTWQESA-N 0 0 449.506 6.028 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000001886770 555722585 /nfs/dbraw/zinc/72/25/85/555722585.db2.gz CCFBUWHMLIIGAS-SNVBAGLBSA-N 0 0 428.337 5.126 50 0 IKAARN Cn1c2ccc(Br)c3c2c(c(NC2CCCCC2)c1=O)-c1ccccc1C3=O ZINC000001890075 555722630 /nfs/dbraw/zinc/72/26/30/555722630.db2.gz CQWSGUJYXVCZBP-UHFFFAOYSA-N 0 0 437.337 5.257 50 0 biogenic IKAARN O=C(c1cccs1)N(CCN(C(=O)c1cccs1)c1ccccc1)c1ccccc1 ZINC000001893837 555722990 /nfs/dbraw/zinc/72/29/90/555722990.db2.gz BZYGUUHQKKFHQT-UHFFFAOYSA-N 0 0 432.570 5.803 50 0 IKAARN Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000001893454 555723003 /nfs/dbraw/zinc/72/30/03/555723003.db2.gz BWZHGUOQSCMRPB-UHFFFAOYSA-N 0 0 432.903 5.916 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1-c1ccc(Br)cc1 ZINC000001902439 555723484 /nfs/dbraw/zinc/72/34/84/555723484.db2.gz XZRKPSAKFDCTAB-UHFFFAOYSA-N 0 0 441.325 5.580 50 0 IKAARN Cc1cc(C)c2c(c1)-c1c(=S)n(-c3ccc(Br)cc3)sc1C(C)(C)N2 ZINC000001902319 555723556 /nfs/dbraw/zinc/72/35/56/555723556.db2.gz CIBXFKQDIKFKAG-UHFFFAOYSA-N 0 0 431.424 6.975 50 0 IKAARN CC[C@H](Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)C(=O)OCc1ccccc1 ZINC000001904887 555723784 /nfs/dbraw/zinc/72/37/84/555723784.db2.gz CIDKUDVRSJZCPL-QHCPKHFHSA-N 0 0 448.902 6.014 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(OCc5ccc(Cl)cc5)cc4)c32)C1 ZINC000001910383 555724152 /nfs/dbraw/zinc/72/41/52/555724152.db2.gz AEOFECMEMIYQJA-OAHLLOKOSA-N 0 0 435.980 6.792 50 0 IKAARN Cc1cc(C)c(NC(=O)COc2ccc(-c3ccccc3)cc2Br)c(Cl)c1 ZINC000001910510 555724184 /nfs/dbraw/zinc/72/41/84/555724184.db2.gz RQYXXYBFCSDWKJ-UHFFFAOYSA-N 0 0 444.756 6.404 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001909414 555724195 /nfs/dbraw/zinc/72/41/95/555724195.db2.gz PDZJYSPRKNTLAF-ONOODXEBSA-N 0 0 446.012 6.381 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)NCCc1ccccc1 ZINC000001915542 555724789 /nfs/dbraw/zinc/72/47/89/555724789.db2.gz YSLLNRLTKKMMRW-UHFFFAOYSA-N 0 0 439.993 5.463 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001921914 555725058 /nfs/dbraw/zinc/72/50/58/555725058.db2.gz WNUGHISEENSMLX-QGZVFWFLSA-N 0 0 435.589 6.481 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 ZINC000001940228 555725722 /nfs/dbraw/zinc/72/57/22/555725722.db2.gz FLCJIRPEVLQBGX-JSGCOSHPSA-N 0 0 435.973 5.417 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 ZINC000001940226 555725801 /nfs/dbraw/zinc/72/58/01/555725801.db2.gz FLCJIRPEVLQBGX-GXTWGEPZSA-N 0 0 435.973 5.417 50 0 IKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000001978353 555726951 /nfs/dbraw/zinc/72/69/51/555726951.db2.gz UIDMZNLXGWMOCQ-UHFFFAOYSA-N 0 0 444.483 5.613 50 0 IKAARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(C)c2)cc1 ZINC000002022835 555727558 /nfs/dbraw/zinc/72/75/58/555727558.db2.gz RQBAALGQMLXWIZ-UHFFFAOYSA-N 0 0 426.516 5.027 50 0 IKAARN Brc1cccc(-c2nc3ccccc3nc2-c2cccc(Br)c2)c1 ZINC000002029424 555728085 /nfs/dbraw/zinc/72/80/85/555728085.db2.gz OGWNCRPTSOFTPG-UHFFFAOYSA-N 0 0 440.138 6.489 50 0 IKAARN O=C1N=C(N(c2ccccc2)c2ccccc2)S[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000002049895 555728251 /nfs/dbraw/zinc/72/82/51/555728251.db2.gz BRCJHIHROWEMMT-CLJLJLNGSA-N 0 0 434.564 6.979 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000002050867 555728865 /nfs/dbraw/zinc/72/88/65/555728865.db2.gz SXMPNNUICJRXGI-UHFFFAOYSA-N 0 0 436.536 6.795 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)oc2c(C)c1 ZINC000002050868 555728906 /nfs/dbraw/zinc/72/89/06/555728906.db2.gz MANQADQPQUCFOD-UHFFFAOYSA-N 0 0 448.522 6.943 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000002050892 555728925 /nfs/dbraw/zinc/72/89/25/555728925.db2.gz SJJXATDMDKKLIN-UHFFFAOYSA-N 0 0 449.293 7.314 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc12 ZINC000002052021 555729267 /nfs/dbraw/zinc/72/92/67/555729267.db2.gz MJDLPFZUZKSONH-UHFFFAOYSA-N 0 0 436.555 6.950 50 0 IKAARN O=c1oc2ccccc2c(-c2ccc3c(n2)-c2cc(Cl)ccc2OC3)c1-c1ccccc1 ZINC000002051037 555729277 /nfs/dbraw/zinc/72/92/77/555729277.db2.gz JRJGDKFPNDRDQV-UHFFFAOYSA-N 0 0 437.882 6.735 50 0 IKAARN c1ccc(-c2nc3ccccc3c(Sc3nc(-c4ccccc4)nc4ccccc43)n2)cc1 ZINC000002052229 555729280 /nfs/dbraw/zinc/72/92/80/555729280.db2.gz SOSBRTTVDIVMJF-UHFFFAOYSA-N 0 0 442.547 7.058 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002052211 555729288 /nfs/dbraw/zinc/72/92/88/555729288.db2.gz HMYBMERSYPPCCY-UHFFFAOYSA-N 0 0 449.790 6.292 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@H](C)C2 ZINC000002053566 555729554 /nfs/dbraw/zinc/72/95/54/555729554.db2.gz GUBWRZJUEOANFC-NSHDSACASA-N 0 0 433.982 6.170 50 0 IKAARN Cc1ccccc1[C@H]1c2ccccc2OC(c2cccs2)=C1C=C1SC(=S)NC1=O ZINC000002054393 555729764 /nfs/dbraw/zinc/72/97/64/555729764.db2.gz RWBUMFPLCDRAEN-OABJIQBASA-N 0 0 447.606 6.864 50 0 IKAARN O=C(N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054611 555729795 /nfs/dbraw/zinc/72/97/95/555729795.db2.gz NRWPCZPPDWVLRA-CQSZACIVSA-N 0 0 446.976 6.185 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3C)c(C)c2)cc1C ZINC000002054194 555729840 /nfs/dbraw/zinc/72/98/40/555729840.db2.gz WKLGMIQYIRADIM-UHFFFAOYSA-N 0 0 448.566 7.092 50 0 IKAARN CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccc(CCC)cc4)n3)cc2)cc1 ZINC000002054783 555730028 /nfs/dbraw/zinc/73/00/28/555730028.db2.gz UOUMAFPRBZWTAC-UHFFFAOYSA-N 0 0 440.587 7.982 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](Nc2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000002054647 555730053 /nfs/dbraw/zinc/73/00/53/555730053.db2.gz YHNLLTZQCLXLCZ-KRWDZBQOSA-N 0 0 434.194 6.176 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cccc2ccccc21 ZINC000002054907 555730055 /nfs/dbraw/zinc/73/00/55/555730055.db2.gz VXCUEVFGVCCFLA-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccc(CC)cc4)n3)cc2)cc1 ZINC000002054782 555730058 /nfs/dbraw/zinc/73/00/58/555730058.db2.gz SNQNVDTUSXSEHP-UHFFFAOYSA-N 0 0 426.560 7.592 50 0 IKAARN Cc1ccc(N[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)cc1C ZINC000002054643 555730071 /nfs/dbraw/zinc/73/00/71/555730071.db2.gz PQAGEJOCMKESJL-LJQANCHMSA-N 0 0 427.803 6.139 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2SCCOc2ccc(Cl)cc2)cc1 ZINC000002058889 555731403 /nfs/dbraw/zinc/73/14/03/555731403.db2.gz HPPBBTFBVPTZTR-UHFFFAOYSA-N 0 0 438.980 6.248 50 0 IKAARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNc1cccc(C)c1 ZINC000002059371 555731419 /nfs/dbraw/zinc/73/14/19/555731419.db2.gz OZVOSKXDYGWQBI-HHHXNRCGSA-N 0 0 446.594 7.065 50 0 IKAARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNc1ccccc1 ZINC000002059369 555731452 /nfs/dbraw/zinc/73/14/52/555731452.db2.gz CIBQRUQEMXZYPG-SANMLTNESA-N 0 0 432.567 6.757 50 0 IKAARN CCCOC(=O)c1cc(-c2ccccc2)nc2c(Br)cc(Br)cc12 ZINC000002058795 555731465 /nfs/dbraw/zinc/73/14/65/555731465.db2.gz MLBOZYITMOKZDJ-UHFFFAOYSA-N 0 0 449.142 5.994 50 0 IKAARN CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc(CC)c1-c1ccccc1 ZINC000002060329 555731726 /nfs/dbraw/zinc/73/17/26/555731726.db2.gz LVDCQXQBFBMINU-UHFFFAOYSA-N 0 0 425.575 5.885 50 0 IKAARN Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c(C)c1 ZINC000002061903 555732208 /nfs/dbraw/zinc/73/22/08/555732208.db2.gz RFUBDIFMQMZFTM-GFCCVEGCSA-N 0 0 428.120 5.201 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1Br)Nc1ccccc1-2 ZINC000002062224 555732228 /nfs/dbraw/zinc/73/22/28/555732228.db2.gz XZQPBBJDNKRQJT-SFHVURJKSA-N 0 0 443.370 5.696 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc(Br)ccc1Cl ZINC000002062387 555732249 /nfs/dbraw/zinc/73/22/49/555732249.db2.gz XSMQVXFALUENAH-UHFFFAOYSA-N 0 0 445.675 6.302 50 0 IKAARN Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCCCC3)cc1 ZINC000002062103 555732314 /nfs/dbraw/zinc/73/23/14/555732314.db2.gz AYDZRJDTUXVMKJ-UHFFFAOYSA-N 0 0 438.980 6.483 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1C ZINC000002064419 555733127 /nfs/dbraw/zinc/73/31/27/555733127.db2.gz WYMLLBGVWJNYQN-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN CC(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 ZINC000002066248 555733301 /nfs/dbraw/zinc/73/33/01/555733301.db2.gz OITZUFCQFINJSE-VCHYOVAHSA-N 0 0 431.355 5.678 50 0 IKAARN CC(C)(C)c1ccc(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000002065555 555733431 /nfs/dbraw/zinc/73/34/31/555733431.db2.gz UHEDZHCNHHUVJF-UHFFFAOYSA-N 0 0 430.573 5.854 50 0 IKAARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000002068214 555733908 /nfs/dbraw/zinc/73/39/08/555733908.db2.gz UTUPQHXDVDJNQY-UHFFFAOYSA-N 0 0 435.907 5.460 50 0 IKAARN O=C(N[C@@H](Nc1cccc2cccnc21)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000002068945 555733958 /nfs/dbraw/zinc/73/39/58/555733958.db2.gz BOFICNLTMCAEDY-OAQYLSRUSA-N 0 0 444.749 5.926 50 0 IKAARN O=C(N[C@H](Nc1cccc2cccnc21)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000002068944 555733993 /nfs/dbraw/zinc/73/39/93/555733993.db2.gz BOFICNLTMCAEDY-NRFANRHFSA-N 0 0 444.749 5.926 50 0 IKAARN CCCCCC1CCC(c2ccc(-c3ccc(I)cc3)nc2)CC1 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CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCCCCCCCC2 ZINC000002089698 555741151 /nfs/dbraw/zinc/74/11/51/555741151.db2.gz JVTUTSLBXPQEMH-UHFFFAOYSA-N 0 0 443.609 6.162 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(C)cc2)Nc2ccccc2-3)cc1 ZINC000002094576 555741728 /nfs/dbraw/zinc/74/17/28/555741728.db2.gz PSKZEBIQORVIIQ-HSZRJFAPSA-N 0 0 426.545 5.951 50 0 IKAARN CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000002093787 555741745 /nfs/dbraw/zinc/74/17/45/555741745.db2.gz PIRHXOZNPDKPCL-UHFFFAOYSA-N 0 0 430.317 6.178 50 0 IKAARN Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1cccc(F)c1 ZINC000002093551 555741766 /nfs/dbraw/zinc/74/17/66/555741766.db2.gz LNLVCOVNWDEKKM-UHFFFAOYSA-N 0 0 434.736 6.741 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(Cl)cc2)Nc2ccccc2-3)cc1 ZINC000002094583 555741954 /nfs/dbraw/zinc/74/19/54/555741954.db2.gz SSKLGCFDLDQKTR-QFIPXVFZSA-N 0 0 446.963 6.296 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H]([C@H]2CC=C(C)CC2)Nc2ccccc2-3)cc1 ZINC000002094717 555741955 /nfs/dbraw/zinc/74/19/55/555741955.db2.gz DMENWUIQWGEJBB-WMZHIEFXSA-N 0 0 430.577 6.016 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 ZINC000002094956 555741963 /nfs/dbraw/zinc/74/19/63/555741963.db2.gz LOTDTZIXEYTCTC-QFIPXVFZSA-N 0 0 438.528 5.404 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 ZINC000002094954 555741975 /nfs/dbraw/zinc/74/19/75/555741975.db2.gz LOTDTZIXEYTCTC-JOCHJYFZSA-N 0 0 438.528 5.404 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cc(C)ccc2C)Nc2ccccc2-3)cc1 ZINC000002094803 555741987 /nfs/dbraw/zinc/74/19/87/555741987.db2.gz BJKMESRJLQLHIT-DEOSSOPVSA-N 0 0 440.572 6.259 50 0 IKAARN CCCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccnc1Cl ZINC000002101919 555742588 /nfs/dbraw/zinc/74/25/88/555742588.db2.gz IZUDBHBIQBSTJI-UHFFFAOYSA-N 0 0 430.913 5.291 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C)c1-c1ccc(Cl)cc1 ZINC000002103247 555742605 /nfs/dbraw/zinc/74/26/05/555742605.db2.gz QSKASFWQXOSUET-UHFFFAOYSA-N 0 0 443.908 5.535 50 0 IKAARN CCCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1 ZINC000002103153 555742643 /nfs/dbraw/zinc/74/26/43/555742643.db2.gz WXCVSNZXVLHGAM-UHFFFAOYSA-N 0 0 426.472 5.672 50 0 IKAARN Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C(=O)OC(C)C)c1-c1cc(C)ccc1C ZINC000002103461 555742913 /nfs/dbraw/zinc/74/29/13/555742913.db2.gz FSBDFNIDHLBQJL-YADHBBJMSA-N 0 0 447.600 6.648 50 0 IKAARN COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000002103719 555742936 /nfs/dbraw/zinc/74/29/36/555742936.db2.gz FPVFEIBTNZKHAV-SERULOEGSA-N 0 0 433.592 5.727 50 0 IKAARN Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C(=O)OC(C)C)c1-c1cc(C)ccc1C ZINC000002103459 555742950 /nfs/dbraw/zinc/74/29/50/555742950.db2.gz FSBDFNIDHLBQJL-FCHUYYIVSA-N 0 0 447.600 6.648 50 0 IKAARN CCc1ccc(NC(C(=O)Nc2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1 ZINC000002105539 555743437 /nfs/dbraw/zinc/74/34/37/555743437.db2.gz RGCGTWMRWKBJNB-UHFFFAOYSA-N 0 0 448.610 7.367 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccccc3F)c(Br)cc2oc1C(C)(C)C ZINC000002107278 555743447 /nfs/dbraw/zinc/74/34/47/555743447.db2.gz BOXSDBZENHUGIG-UHFFFAOYSA-N 0 0 449.316 6.388 50 0 IKAARN CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000002105610 555743505 /nfs/dbraw/zinc/74/35/05/555743505.db2.gz PWVDJUMZJGMLHU-OAQYLSRUSA-N 0 0 438.571 6.880 50 0 IKAARN CCc1ccc(-c2c(C)sc(NC(=O)c3csc4c3CCCC4)c2C(=O)OC)cc1 ZINC000002106243 555743511 /nfs/dbraw/zinc/74/35/11/555743511.db2.gz KOWSYGKMHGVWOR-UHFFFAOYSA-N 0 0 439.602 6.265 50 0 IKAARN CCCCc1ccc(-c2c(C)sc(NC(=O)c3cc(C)oc3C)c2C(=O)OCC)cc1 ZINC000002107935 555743771 /nfs/dbraw/zinc/74/37/71/555743771.db2.gz GCVMTTUXRJTCFQ-UHFFFAOYSA-N 0 0 439.577 6.705 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)cc1 ZINC000002107874 555743832 /nfs/dbraw/zinc/74/38/32/555743832.db2.gz PTQYUNBIUTXVMI-MRXNPFEDSA-N 0 0 428.359 7.338 50 0 IKAARN CCOc1ccc(-c2c(C)sc(NC(=O)c3cc(C)oc3C)c2C(=O)OC(C)C)cc1 ZINC000002107957 555743873 /nfs/dbraw/zinc/74/38/73/555743873.db2.gz 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CCc1ccc(-c2cc(C(=O)Nc3sc(C)cc3C(=O)OC)c3ccccc3n2)s1 ZINC000002112207 555744430 /nfs/dbraw/zinc/74/44/30/555744430.db2.gz YHSJOZGQHVLMPH-UHFFFAOYSA-N 0 0 436.558 5.935 50 0 IKAARN CCCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)COc1cccc(C)c1 ZINC000002115210 555744927 /nfs/dbraw/zinc/74/49/27/555744927.db2.gz BQOOKAPBLYHFRR-UHFFFAOYSA-N 0 0 437.561 5.925 50 0 IKAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000002114751 555744935 /nfs/dbraw/zinc/74/49/35/555744935.db2.gz RFACNSUJBJYPCO-XNTDXEJSSA-N 0 0 433.573 6.460 50 0 IKAARN CC(C)CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002117770 555745278 /nfs/dbraw/zinc/74/52/78/555745278.db2.gz UUDMVEWEQRDIBT-UHFFFAOYSA-N 0 0 430.617 6.406 50 0 IKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5ccc(OC)cc5)c3c2N)CCCC4)cc1 ZINC000002119220 555745281 /nfs/dbraw/zinc/74/52/81/555745281.db2.gz PHJYRQTVWKNFKT-UHFFFAOYSA-N 0 0 444.556 5.673 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)cc1C ZINC000002122068 555745605 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O=C(COc1ccc2ccccc2c1Br)Oc1ccc(-c2ccccc2)cc1 ZINC000002134659 555747011 /nfs/dbraw/zinc/74/70/11/555747011.db2.gz XPNRSXKMHQBYGN-UHFFFAOYSA-N 0 0 433.301 6.254 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000002136918 555747193 /nfs/dbraw/zinc/74/71/93/555747193.db2.gz LCUJFZQGDOABIM-UHFFFAOYSA-N 0 0 437.609 5.173 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OC(=O)C(C)C ZINC000002137562 555747533 /nfs/dbraw/zinc/74/75/33/555747533.db2.gz VEMDIKZVZHOCBV-MFOYZWKCSA-N 0 0 448.302 5.298 50 0 IKAARN CCOc1ccccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002137184 555747570 /nfs/dbraw/zinc/74/75/70/555747570.db2.gz XMIZVTAXLCSDOX-UHFFFAOYSA-N 0 0 427.353 5.064 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc(OC)cc1 ZINC000002137947 555747644 /nfs/dbraw/zinc/74/76/44/555747644.db2.gz PFSBXCNQABDDNW-VWLOTQADSA-N 0 0 440.503 5.079 50 0 IKAARN CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000002137282 555747647 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5.925 50 0 IKAARN Cc1sc2nc(SCc3ccc4ccccc4c3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000002143166 555748415 /nfs/dbraw/zinc/74/84/15/555748415.db2.gz PTHSCWZYPIKDAP-UHFFFAOYSA-N 0 0 446.572 6.649 50 0 IKAARN Cc1sc2nc(SCc3ccc4ccccc4c3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000002143326 555748431 /nfs/dbraw/zinc/74/84/31/555748431.db2.gz DZDHQYBJIVKFLZ-UHFFFAOYSA-N 0 0 442.609 6.818 50 0 IKAARN Cc1sc2nc(SCc3cccc(Cl)c3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000002143328 555748446 /nfs/dbraw/zinc/74/84/46/555748446.db2.gz BKUNEEVXWTWBCL-UHFFFAOYSA-N 0 0 426.994 6.318 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002144610 555748818 /nfs/dbraw/zinc/74/88/18/555748818.db2.gz QCCFKALWEOYMBZ-UHFFFAOYSA-N 0 0 442.584 7.029 50 0 IKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002145426 555748858 /nfs/dbraw/zinc/74/88/58/555748858.db2.gz IZMNMTCKXCHODH-UHFFFAOYSA-N 0 0 434.405 5.974 50 0 IKAARN Cc1csc2ncnc(Sc3ccccc3NC(=O)c3cc(Cl)cc(Cl)c3)c12 ZINC000002144112 555748872 /nfs/dbraw/zinc/74/88/72/555748872.db2.gz FZSJOSCLZUYPCU-UHFFFAOYSA-N 0 0 446.384 6.710 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2Cl)oc1N1CCCCC1 ZINC000002147365 555749381 /nfs/dbraw/zinc/74/93/81/555749381.db2.gz UUEXEMAEUOGPGX-UHFFFAOYSA-N 0 0 433.272 5.530 50 0 IKAARN CCOC(=O)c1sc(SCc2c(Cl)cccc2Cl)c2c1CC(C)(C)CC2=O ZINC000002151069 555749610 /nfs/dbraw/zinc/74/96/10/555749610.db2.gz OMPNYYLQDBPVFT-UHFFFAOYSA-N 0 0 443.417 6.679 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Sc1ccc(C(F)(F)F)cc1 ZINC000002151951 555749626 /nfs/dbraw/zinc/74/96/26/555749626.db2.gz AGFKKIZLVOPLRE-UHFFFAOYSA-N 0 0 447.425 7.089 50 0 IKAARN Cc1csc2sc(COC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)c12 ZINC000002151184 555749629 /nfs/dbraw/zinc/74/96/29/555749629.db2.gz PBUVJKFRLXZOMG-UHFFFAOYSA-N 0 0 438.414 6.974 50 0 IKAARN CCn1nc(C)c(Br)c1C(=O)Sc1c(Cl)cc(Cl)cc1Cl ZINC000002151180 555749651 /nfs/dbraw/zinc/74/96/51/555749651.db2.gz KNDHCBLFSYMKAZ-UHFFFAOYSA-N 0 0 428.566 5.867 50 0 IKAARN CSc1sc(C(=O)N2CCCCC2)cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000002152565 555750048 /nfs/dbraw/zinc/75/00/48/555750048.db2.gz UTBDFOZMGARQNA-UHFFFAOYSA-N 0 0 435.039 6.540 50 0 IKAARN O=S(=O)(Cc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002157389 555750543 /nfs/dbraw/zinc/75/05/43/555750543.db2.gz SVFYMBLRMZBBCP-UHFFFAOYSA-N 0 0 437.188 6.005 50 0 IKAARN O=C(Oc1c2ccccc2sc1C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002157553 555750658 /nfs/dbraw/zinc/75/06/58/555750658.db2.gz HKGXOPMOJOAUQA-UHFFFAOYSA-N 0 0 434.516 7.019 50 0 IKAARN CCN(CC)c1ccc(CCO[C@](O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000002162091 555751147 /nfs/dbraw/zinc/75/11/47/555751147.db2.gz KVORXFSGFDCMRC-HHHXNRCGSA-N 0 0 438.011 6.142 50 0 IKAARN O=P(OCc1ccccc1)(OCc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000002163769 555751172 /nfs/dbraw/zinc/75/11/72/555751172.db2.gz CESNQFHCYWLCOU-HHHXNRCGSA-N 0 0 443.483 7.424 50 0 IKAARN Brc1ccc(-c2nc3ccccc3nc2-c2ccc(Br)cc2)cc1 ZINC000002166570 555751478 /nfs/dbraw/zinc/75/14/78/555751478.db2.gz WATVCMJLZPTSSS-UHFFFAOYSA-N 0 0 440.138 6.489 50 0 IKAARN CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000002165191 555751519 /nfs/dbraw/zinc/75/15/19/555751519.db2.gz WGNPSBOGKNDCJS-DHDCSXOGSA-N 0 0 428.724 6.286 50 0 IKAARN CCCC(=O)N(c1nc(-c2ccc(C)cc2)c(CC)s1)c1ccc(Br)cc1 ZINC000002170633 555751799 /nfs/dbraw/zinc/75/17/99/555751799.db2.gz YECOMPZSBPNRFQ-UHFFFAOYSA-N 0 0 443.410 6.908 50 0 IKAARN O=c1c2ccccc2nc(SCc2cc(F)c(F)cc2Cl)n1Cc1ccccc1 ZINC000002170558 555751840 /nfs/dbraw/zinc/75/18/40/555751840.db2.gz GAUKGZXOJMWIBQ-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN CCc1sc(N(C(=O)C2CCCCC2)c2cccc(F)c2)nc1-c1ccc(OC)cc1 ZINC000002170825 555752096 /nfs/dbraw/zinc/75/20/96/555752096.db2.gz HTYCPELUGNOWOB-UHFFFAOYSA-N 0 0 438.568 6.765 50 0 IKAARN CC(C)(C)Oc1ncc(-c2cccc(I)c2)c(OC(C)(C)C)n1 ZINC000002173036 555752426 /nfs/dbraw/zinc/75/24/26/555752426.db2.gz RGOKNTSUMLNICM-UHFFFAOYSA-N 0 0 426.298 5.103 50 0 IKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000002177502 555752676 /nfs/dbraw/zinc/75/26/76/555752676.db2.gz NSFFGGGTKOECMM-OJVSJSBUSA-N 0 0 446.388 6.567 50 0 IKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000002177500 555752764 /nfs/dbraw/zinc/75/27/64/555752764.db2.gz NSFFGGGTKOECMM-AATYUJHQSA-N 0 0 446.388 6.567 50 0 IKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002177495 555752790 /nfs/dbraw/zinc/75/27/90/555752790.db2.gz MVOPESAGXIYHJG-WXPCENJTSA-N 0 0 436.382 7.111 50 0 IKAARN Nc1ccccc1S[C@@H](CC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000002178969 555753015 /nfs/dbraw/zinc/75/30/15/555753015.db2.gz AWHUPTMENPKGFY-NDEPHWFRSA-N 0 0 439.580 6.954 50 0 IKAARN CCc1cc2c(nc(SCC(=O)c3ccccc3)n(-c3ccc(Cl)cc3)c2=O)s1 ZINC000002180560 555753268 /nfs/dbraw/zinc/75/32/68/555753268.db2.gz RYHBVGLVMHVLSI-UHFFFAOYSA-N 0 0 440.977 5.638 50 0 IKAARN c1ccc(CSc2nc3sc4c(c3c(SCc3ccccc3)n2)CCCC4)cc1 ZINC000002181006 555753700 /nfs/dbraw/zinc/75/37/00/555753700.db2.gz BDKVZKZZFXKWGQ-UHFFFAOYSA-N 0 0 434.655 7.155 50 0 IKAARN COc1cccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nnc3N2CCCC2)c1 ZINC000002181188 555753755 /nfs/dbraw/zinc/75/37/55/555753755.db2.gz MRYXJSKPURLZHG-UHFFFAOYSA-N 0 0 447.542 5.758 50 0 IKAARN CCOc1ccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nnc3OCC)cc1 ZINC000002181192 555753784 /nfs/dbraw/zinc/75/37/84/555753784.db2.gz UEEPJHBEUYFZFJ-UHFFFAOYSA-N 0 0 436.515 5.947 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000002182397 555753958 /nfs/dbraw/zinc/75/39/58/555753958.db2.gz DPFNNDMADNIKOP-OAHLLOKOSA-N 0 0 428.598 5.899 50 0 IKAARN FC(F)(F)c1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4Cl)nn32)cc1 ZINC000002182975 555754256 /nfs/dbraw/zinc/75/42/56/555754256.db2.gz DKWGKEHGVVQKSA-UHFFFAOYSA-N 0 0 429.254 5.769 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C)(C)OC3 ZINC000002183153 555754295 /nfs/dbraw/zinc/75/42/95/555754295.db2.gz SOQHOVFKQPKHFG-UHFFFAOYSA-N 0 0 430.595 5.199 50 0 IKAARN Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)c(C)c1 ZINC000002183020 555754302 /nfs/dbraw/zinc/75/43/02/555754302.db2.gz IGPJIAWIQHTLNL-UHFFFAOYSA-N 0 0 432.614 5.904 50 0 IKAARN Cc1ccccc1Cc1nnc2sc(-c3cnn(-c4ccccc4)c3-c3ccccc3)nn12 ZINC000002183304 555754611 /nfs/dbraw/zinc/75/46/11/555754611.db2.gz GPYDDMICTVCQHE-UHFFFAOYSA-N 0 0 448.555 5.605 50 0 IKAARN CCC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 ZINC000002183501 555754658 /nfs/dbraw/zinc/75/46/58/555754658.db2.gz PLFJJXVLJSSGHX-IRXDYDNUSA-N 0 0 443.609 5.971 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000002184836 555754996 /nfs/dbraw/zinc/75/49/96/555754996.db2.gz AXNJIYHABMBQRY-UHFFFAOYSA-N 0 0 443.565 5.814 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000002186057 555755223 /nfs/dbraw/zinc/75/52/23/555755223.db2.gz IHQIIBUFUNXTEL-VWLOTQADSA-N 0 0 445.975 5.967 50 0 IKAARN c1ccc2c(c1)C[C@H](O[C@H]1Cc3ccccc3Sc3ccccc31)c1ccccc1S2 ZINC000002187345 555755646 /nfs/dbraw/zinc/75/56/46/555755646.db2.gz HCUKEBCEJKFZER-ZEQRLZLVSA-N 0 0 438.617 7.900 50 0 IKAARN O=c1c2c(nc(SCc3c(F)cccc3F)n1-c1ccccc1)sc1c2CCCC1 ZINC000002188704 555755889 /nfs/dbraw/zinc/75/58/89/555755889.db2.gz HKKPVSVTUWKGSY-UHFFFAOYSA-N 0 0 440.540 5.897 50 0 IKAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(Sc3ccccc3)o2)cc1 ZINC000002188038 555755899 /nfs/dbraw/zinc/75/58/99/555755899.db2.gz QBOBMYBIEDSNLP-UHFFFAOYSA-N 0 0 426.585 7.073 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(nc3sc(C(=O)c4ccccc4)c(N)c3c2-c2cccs2)C1 ZINC000002188407 555755912 /nfs/dbraw/zinc/75/59/12/555755912.db2.gz GCEMRHKMFUKGBW-INIZCTEOSA-N 0 0 446.641 6.989 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)N2CCCCCC2)C1 ZINC000002190048 555756294 /nfs/dbraw/zinc/75/62/94/555756294.db2.gz WMTMXMWCMHYIHP-OAHLLOKOSA-N 0 0 431.001 5.795 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002189101 555756301 /nfs/dbraw/zinc/75/63/01/555756301.db2.gz DIKSQGFTGMDEAC-UDWIEESQSA-N 0 0 437.854 5.411 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000002191700 555756555 /nfs/dbraw/zinc/75/65/55/555756555.db2.gz JAIBIYVUTJLVQD-UHFFFAOYSA-N 0 0 435.304 5.848 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 ZINC000002199072 555757202 /nfs/dbraw/zinc/75/72/02/555757202.db2.gz GASUXDXQUOHDQX-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(OC)c1 ZINC000002204962 555757707 /nfs/dbraw/zinc/75/77/07/555757707.db2.gz MAMVSOYIBVNHIP-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccc(OC)cc1 ZINC000002207997 555758076 /nfs/dbraw/zinc/75/80/76/555758076.db2.gz MLKNRXBDPAWMLZ-UHFFFAOYSA-N 0 0 443.615 6.509 50 0 IKAARN Cc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 ZINC000002215201 555758661 /nfs/dbraw/zinc/75/86/61/555758661.db2.gz KTSNQCHANUGHOI-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000002218864 555758913 /nfs/dbraw/zinc/75/89/13/555758913.db2.gz LZXUFGVWVJZWFK-UHFFFAOYSA-N 0 0 443.286 5.828 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000002220699 555759331 /nfs/dbraw/zinc/75/93/31/555759331.db2.gz RUKUTBFYGCTLOG-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c(C)c1 ZINC000002221361 555759342 /nfs/dbraw/zinc/75/93/42/555759342.db2.gz CNFAFXPMGPKATR-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000002221482 555759349 /nfs/dbraw/zinc/75/93/49/555759349.db2.gz DXXKRZLDTRGGOV-UHFFFAOYSA-N 0 0 436.027 5.831 50 0 IKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccncc2)cc1 ZINC000002221830 555759627 /nfs/dbraw/zinc/75/96/27/555759627.db2.gz SWZPRHKTSRCFPQ-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(Cl)cc1 ZINC000002221677 555759658 /nfs/dbraw/zinc/75/96/58/555759658.db2.gz JBXMHKXQHDSCRB-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cccs1 ZINC000002225740 555759822 /nfs/dbraw/zinc/75/98/22/555759822.db2.gz YHXCSDSOJGGSFF-UHFFFAOYSA-N 0 0 448.356 5.990 50 0 IKAARN Nc1c(Br)cc2oc(-c3cccc(Cl)c3Cl)nc2c1Br ZINC000002231649 555760314 /nfs/dbraw/zinc/76/03/14/555760314.db2.gz DWLCXLCCAJMRFF-UHFFFAOYSA-N 0 0 436.918 5.909 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1C ZINC000002232287 555760592 /nfs/dbraw/zinc/76/05/92/555760592.db2.gz UKSFCBQNFHSORZ-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Clc1ccc(CSc2nnc(SCc3ccc(Br)cc3)s2)cc1 ZINC000002239635 555761129 /nfs/dbraw/zinc/76/11/29/555761129.db2.gz LLEJJCRFGVZGNL-UHFFFAOYSA-N 0 0 443.844 6.539 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002252813 555762544 /nfs/dbraw/zinc/76/25/44/555762544.db2.gz ONCNOMCVRTYXEL-ZEQRLZLVSA-N 0 0 444.897 5.592 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccccc2F)n1-c1ccc(Cl)cc1)CCC3 ZINC000002259323 555763124 /nfs/dbraw/zinc/76/31/24/555763124.db2.gz QCKQHYDGMGMKAE-UHFFFAOYSA-N 0 0 442.968 6.021 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000002259433 555763157 /nfs/dbraw/zinc/76/31/57/555763157.db2.gz JISZZGMXCKXHJU-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccc(F)cc2)n1-c1ccc(Cl)cc1)CCC3 ZINC000002261524 555763454 /nfs/dbraw/zinc/76/34/54/555763454.db2.gz ULLSQMQSUVHHTQ-UHFFFAOYSA-N 0 0 442.968 6.021 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2)cccc1-c1nc2ccccc2s1 ZINC000002259704 555763508 /nfs/dbraw/zinc/76/35/08/555763508.db2.gz MJHHBUZTZWKYFA-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2cc(C)ccc2C)sc2c3CCCC2)cc1 ZINC000002259945 555763522 /nfs/dbraw/zinc/76/35/22/555763522.db2.gz MPIVEOBOVVEVDZ-UHFFFAOYSA-N 0 0 446.641 6.544 50 0 IKAARN CCOc1ccc(-n2c(SCc3c(F)cccc3Cl)nnc2-c2cccnc2)cc1 ZINC000002261589 555763530 /nfs/dbraw/zinc/76/35/30/555763530.db2.gz GUZXNPVATFMYIL-UHFFFAOYSA-N 0 0 440.931 5.813 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3CCCCC2)cc1 ZINC000002273785 555764415 /nfs/dbraw/zinc/76/44/15/555764415.db2.gz KUIHOHDVAIVMBB-UHFFFAOYSA-N 0 0 432.614 6.317 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 ZINC000002276061 555764723 /nfs/dbraw/zinc/76/47/23/555764723.db2.gz NWFUPLYCKZLMMY-UHFFFAOYSA-N 0 0 442.650 6.397 50 0 IKAARN CCCOc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002276921 555764744 /nfs/dbraw/zinc/76/47/44/555764744.db2.gz GAVGLKMTUCJQBT-DEOSSOPVSA-N 0 0 442.964 5.917 50 0 IKAARN O=c1c2c3c(sc2nc(SCCc2ccccc2)n1CCc1ccccc1)CCC3 ZINC000002278616 555764972 /nfs/dbraw/zinc/76/49/72/555764972.db2.gz MZOSVKLUWHQVIA-UHFFFAOYSA-N 0 0 432.614 5.524 50 0 IKAARN CCCOc1ccc(/N=c2\ssc3c2-c2cc(OCC)ccc2NC3(C)C)cc1 ZINC000002285518 555765592 /nfs/dbraw/zinc/76/55/92/555765592.db2.gz NCTXMCHHPBKWJX-GYHWCHFESA-N 0 0 426.607 6.557 50 0 IKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1c[nH]c2ccccc21 ZINC000002290377 555765917 /nfs/dbraw/zinc/76/59/17/555765917.db2.gz METXACFDJKABQA-IBGZPJMESA-N 0 0 437.274 6.307 50 0 IKAARN Cc1ccc(OCc2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000002296718 555766287 /nfs/dbraw/zinc/76/62/87/555766287.db2.gz QJJHVXAKOLCXOI-UHFFFAOYSA-N 0 0 432.483 6.092 50 0 IKAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000002294470 555766313 /nfs/dbraw/zinc/76/63/13/555766313.db2.gz DUJHMVBTFPUBCP-MRXNPFEDSA-N 0 0 446.597 5.547 50 0 IKAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc(Br)cc4)nc(N)c32)C1 ZINC000002303584 555766862 /nfs/dbraw/zinc/76/68/62/555766862.db2.gz JQXXOHOAXAQVFR-SNVBAGLBSA-N 0 0 448.411 5.136 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCCC4)c(Cl)c3n2)cc1 ZINC000002302257 555766935 /nfs/dbraw/zinc/76/69/35/555766935.db2.gz PQOHXHNCHGUWNG-UHFFFAOYSA-N 0 0 436.865 5.393 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000002302233 555766959 /nfs/dbraw/zinc/76/69/59/555766959.db2.gz UWXUHXBNNWPPEW-GOSISDBHSA-N 0 0 428.623 5.683 50 0 IKAARN O[C@@H](CNc1cccc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002305971 555767136 /nfs/dbraw/zinc/76/71/36/555767136.db2.gz BHHYVEROOBDYIB-IBGZPJMESA-N 0 0 435.354 6.728 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002313576 555767852 /nfs/dbraw/zinc/76/78/52/555767852.db2.gz LKUYRIYMOODRJC-UHFFFAOYSA-N 0 0 435.936 5.929 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)c1ccc(Cl)cc1 ZINC000002315653 555767963 /nfs/dbraw/zinc/76/79/63/555767963.db2.gz GQRVJYYWZSYREF-UHFFFAOYSA-N 0 0 426.969 5.605 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(N(c3ccccc3)c3ccccc3)sc2Cl)cc1 ZINC000002318431 555768208 /nfs/dbraw/zinc/76/82/08/555768208.db2.gz KMJRHFAEOWZZTC-UHFFFAOYSA-N 0 0 440.977 6.408 50 0 IKAARN O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000002316770 555768284 /nfs/dbraw/zinc/76/82/84/555768284.db2.gz ZMWYKOXCGMTGRE-VWLOTQADSA-N 0 0 432.564 5.281 50 0 IKAARN c1ccc(-c2oc3ncn4nc(-c5ccc6ccccc6n5)nc4c3c2-c2ccccc2)cc1 ZINC000002323407 555768578 /nfs/dbraw/zinc/76/85/78/555768578.db2.gz GDZRVJFCERDNDR-UHFFFAOYSA-N 0 0 439.478 6.420 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000002321255 555768669 /nfs/dbraw/zinc/76/86/69/555768669.db2.gz ACBYPACYROAYRE-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 ZINC000002328023 555768913 /nfs/dbraw/zinc/76/89/13/555768913.db2.gz XJGBBRLNGCOWSK-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000002339314 555769870 /nfs/dbraw/zinc/76/98/70/555769870.db2.gz KINAJBWBXCSZNO-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000002335867 555769951 /nfs/dbraw/zinc/76/99/51/555769951.db2.gz KAYNMDIJMOYBGM-UHFFFAOYSA-N 0 0 433.602 6.268 50 0 IKAARN CCOc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000002337940 555769954 /nfs/dbraw/zinc/76/99/54/555769954.db2.gz GZCSYRLRXXMFTQ-JXMROGBWSA-N 0 0 443.572 6.147 50 0 IKAARN Cc1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1C ZINC000002340301 555770172 /nfs/dbraw/zinc/77/01/72/555770172.db2.gz PNEKFAPCMURJDN-UHFFFAOYSA-N 0 0 430.617 5.648 50 0 IKAARN COc1cccc([C@@H]2CC(=Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)c1 ZINC000002346325 555770934 /nfs/dbraw/zinc/77/09/34/555770934.db2.gz BFRTXVMZVFEHEV-QFIPXVFZSA-N 0 0 425.315 6.086 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000002352592 555771145 /nfs/dbraw/zinc/77/11/45/555771145.db2.gz HZRVRWVKEYAVQS-UHFFFAOYSA-N 0 0 448.617 5.576 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000002354477 555771511 /nfs/dbraw/zinc/77/15/11/555771511.db2.gz DNOCEGSLBAMVAA-WBMJQRKESA-N 0 0 430.397 5.722 50 0 IKAARN COc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002357033 555771673 /nfs/dbraw/zinc/77/16/73/555771673.db2.gz FUOZORQASZUZKE-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN CCN(CC)C(=S)SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000002356309 555771728 /nfs/dbraw/zinc/77/17/28/555771728.db2.gz IRMNUGAFPPNLKP-UHFFFAOYSA-N 0 0 425.579 5.307 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002359112 555771742 /nfs/dbraw/zinc/77/17/42/555771742.db2.gz YKGZEKDUDOKSPX-GOSISDBHSA-N 0 0 434.348 5.157 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000002364364 555772357 /nfs/dbraw/zinc/77/23/57/555772357.db2.gz YUDMDOPQHXULFH-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN O=C(Sc1ccc(Sc2ccc(SC(=O)c3ccco3)cc2)cc1)c1ccco1 ZINC000002368516 555772961 /nfs/dbraw/zinc/77/29/61/555772961.db2.gz BFYMODPPPHMGPE-UHFFFAOYSA-N 0 0 438.551 6.889 50 0 IKAARN Cc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(C)cc6)oc5c4)cc3o2)cc1 ZINC000002368400 555772965 /nfs/dbraw/zinc/77/29/65/555772965.db2.gz WKNZACYZMHBIPE-UHFFFAOYSA-N 0 0 430.507 7.511 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2cccc(F)c2)CCCC4)cc1 ZINC000002373637 555773629 /nfs/dbraw/zinc/77/36/29/555773629.db2.gz YWISFPVBWVRQLE-UHFFFAOYSA-N 0 0 436.577 6.066 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c(C)c1 ZINC000002383245 555774362 /nfs/dbraw/zinc/77/43/62/555774362.db2.gz XEFUTQAKYORDGI-UHFFFAOYSA-N 0 0 438.578 5.304 50 0 IKAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OC/C=C/c3ccccc3)cc2oc1=O ZINC000002395635 555775432 /nfs/dbraw/zinc/77/54/32/555775432.db2.gz RLCAUOLUBPPBPI-JXMROGBWSA-N 0 0 426.896 5.343 50 0 IKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O ZINC000002394255 555775457 /nfs/dbraw/zinc/77/54/57/555775457.db2.gz OHBHKQITXVUOGO-UHFFFAOYSA-N 0 0 441.694 5.356 50 0 IKAARN Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 ZINC000002396108 555775555 /nfs/dbraw/zinc/77/55/55/555775555.db2.gz LUJCSBDPIKBOMN-UHFFFAOYSA-N 0 0 427.327 5.036 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)cc1 ZINC000002394375 555775559 /nfs/dbraw/zinc/77/55/59/555775559.db2.gz LMTWHADAYSPHBQ-UHFFFAOYSA-N 0 0 433.364 6.036 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002400531 555776083 /nfs/dbraw/zinc/77/60/83/555776083.db2.gz YCTGDZIKAMXECL-FQEVSTJZSA-N 0 0 432.501 5.097 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002405419 555776431 /nfs/dbraw/zinc/77/64/31/555776431.db2.gz LWABGKQWLFFCTG-GOSISDBHSA-N 0 0 438.892 5.051 50 0 IKAARN COc1cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c(OC)cc1Cl ZINC000002411716 555777104 /nfs/dbraw/zinc/77/71/04/555777104.db2.gz RTWBBNQBWNURPD-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)n1 ZINC000002414126 555777127 /nfs/dbraw/zinc/77/71/27/555777127.db2.gz XDJRQZMZOUSGSP-QGZVFWFLSA-N 0 0 426.856 5.100 50 0 IKAARN COc1cc2c3c(c1)-c1c(sn(-c4cccc(C)c4C)c1=S)C(C)(C)N3C(=O)C2=O ZINC000002420256 555777344 /nfs/dbraw/zinc/77/73/44/555777344.db2.gz JIIICFSXTMHRFB-UHFFFAOYSA-N 0 0 436.558 5.339 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002420054 555777398 /nfs/dbraw/zinc/77/73/98/555777398.db2.gz KERSJGDMVABECF-HXUWFJFHSA-N 0 0 432.501 5.097 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)c2C(N)=O)C1 ZINC000002417942 555777437 /nfs/dbraw/zinc/77/74/37/555777437.db2.gz AANPPXDPRQYTSF-MRVPVSSYSA-N 0 0 439.389 5.746 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(Cl)c4)c23)cc1 ZINC000002422291 555777608 /nfs/dbraw/zinc/77/76/08/555777608.db2.gz KFDHTBLYVXLECH-UHFFFAOYSA-N 0 0 425.966 6.051 50 0 IKAARN S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000002429727 555778291 /nfs/dbraw/zinc/77/82/91/555778291.db2.gz DVTQDMHWJBZBLP-UHFFFAOYSA-N 0 0 437.612 6.939 50 0 IKAARN COc1cccc(-c2ccc(-c3noc(-c4ccccc4Br)n3)c(OC)n2)c1 ZINC000002433016 555778303 /nfs/dbraw/zinc/77/83/03/555778303.db2.gz LUCQLLZCMHWTOE-UHFFFAOYSA-N 0 0 438.281 5.245 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc(Cl)c(Cl)c4)c23)cc1 ZINC000002438150 555778990 /nfs/dbraw/zinc/77/89/90/555778990.db2.gz CNYZYEZZYQNKDR-UHFFFAOYSA-N 0 0 445.396 6.949 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccccc1F ZINC000002438887 555779082 /nfs/dbraw/zinc/77/90/82/555779082.db2.gz IYCRCRVGCVKDNK-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 ZINC000002437289 555779085 /nfs/dbraw/zinc/77/90/85/555779085.db2.gz RLSBNQCPZWWUQQ-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cccs2)cc1 ZINC000002442291 555779360 /nfs/dbraw/zinc/77/93/60/555779360.db2.gz IKTIMMAMTWGTPS-UHFFFAOYSA-N 0 0 434.590 5.652 50 0 IKAARN Cc1ccccc1CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000002440849 555779438 /nfs/dbraw/zinc/77/94/38/555779438.db2.gz GJGZIIBLMWLQRG-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN CCOc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000002440874 555779475 /nfs/dbraw/zinc/77/94/75/555779475.db2.gz SXRLIRULBRDMAJ-UHFFFAOYSA-N 0 0 447.560 5.643 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002443334 555779619 /nfs/dbraw/zinc/77/96/19/555779619.db2.gz JDSGNASQHFMITR-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccc(C)cc2)cc1 ZINC000002443095 555779623 /nfs/dbraw/zinc/77/96/23/555779623.db2.gz XUNRMWVHAVINDC-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000002443453 555779677 /nfs/dbraw/zinc/77/96/77/555779677.db2.gz LRVGPLNMHKFVIU-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000002443124 555779713 /nfs/dbraw/zinc/77/97/13/555779713.db2.gz JSEWSJSLZZXVBS-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccc(C)cc2)cc1 ZINC000002443428 555779732 /nfs/dbraw/zinc/77/97/32/555779732.db2.gz QNELUXRNMFNTPK-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002443808 555779926 /nfs/dbraw/zinc/77/99/26/555779926.db2.gz ZMIMTGOBGIBEQN-UHFFFAOYSA-N 0 0 442.588 5.963 50 0 IKAARN COc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cccc(OC)c2)cc1 ZINC000002443928 555780026 /nfs/dbraw/zinc/78/00/26/555780026.db2.gz INYGNCOCVFUHGD-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000002445809 555780248 /nfs/dbraw/zinc/78/02/48/555780248.db2.gz WISKULIYSMIXLZ-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 ZINC000002445860 555780285 /nfs/dbraw/zinc/78/02/85/555780285.db2.gz RVLNXUXRNLKCTQ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000002447520 555780534 /nfs/dbraw/zinc/78/05/34/555780534.db2.gz DAWMOYMTRZKLLR-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 ZINC000002447219 555780552 /nfs/dbraw/zinc/78/05/52/555780552.db2.gz GQJWIXZSHSVYNS-UHFFFAOYSA-N 0 0 431.561 5.764 50 0 IKAARN CCOc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 ZINC000002446833 555780589 /nfs/dbraw/zinc/78/05/89/555780589.db2.gz LJFAJZZCOGXOMP-UHFFFAOYSA-N 0 0 446.359 6.525 50 0 IKAARN COc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000002447419 555780615 /nfs/dbraw/zinc/78/06/15/555780615.db2.gz XANHJBNUQDERFB-RMKNXTFCSA-N 0 0 429.545 5.757 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002447230 555780626 /nfs/dbraw/zinc/78/06/26/555780626.db2.gz GWKLRJNJWFSWGG-UHFFFAOYSA-N 0 0 431.580 6.972 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002447739 555780884 /nfs/dbraw/zinc/78/08/84/555780884.db2.gz PTBZYNRNRPOLIM-UHFFFAOYSA-N 0 0 426.950 6.473 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000002448916 555781087 /nfs/dbraw/zinc/78/10/87/555781087.db2.gz XWEQEZJFBPLHCI-UHFFFAOYSA-N 0 0 428.561 5.536 50 0 IKAARN Fc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002449215 555781111 /nfs/dbraw/zinc/78/11/11/555781111.db2.gz GITLAAITKBRUQM-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000002450058 555781372 /nfs/dbraw/zinc/78/13/72/555781372.db2.gz TZJFEERENCSNKG-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CC ZINC000002450512 555781466 /nfs/dbraw/zinc/78/14/66/555781466.db2.gz OILUIMLJMVZBAG-UHFFFAOYSA-N 0 0 444.988 5.132 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccccc2)cc1 ZINC000002450119 555781496 /nfs/dbraw/zinc/78/14/96/555781496.db2.gz QZJJRHGXSJBWCY-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2Cc2ccco2)c1 ZINC000002451721 555781754 /nfs/dbraw/zinc/78/17/54/555781754.db2.gz ZKGIRRZTCLWDHG-UHFFFAOYSA-N 0 0 446.576 5.749 50 0 IKAARN COc1cc(OC)c(Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1Cl ZINC000002452289 555782015 /nfs/dbraw/zinc/78/20/15/555782015.db2.gz NLRKNHLZNCKJFR-UHFFFAOYSA-N 0 0 426.303 6.364 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccc(C)cc2)cc1 ZINC000002452419 555782034 /nfs/dbraw/zinc/78/20/34/555782034.db2.gz YHTYDWJTWHFKQA-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1ccc(-c2cc(C3CC3)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c32)cc1 ZINC000002452590 555782064 /nfs/dbraw/zinc/78/20/64/555782064.db2.gz BDJJRYLKAXVIMD-UHFFFAOYSA-N 0 0 434.948 6.316 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000002452450 555782089 /nfs/dbraw/zinc/78/20/89/555782089.db2.gz ILCOLUODNLWXIR-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000002453294 555782368 /nfs/dbraw/zinc/78/23/68/555782368.db2.gz HBQACQZPWSSLOJ-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 ZINC000002454071 555782557 /nfs/dbraw/zinc/78/25/57/555782557.db2.gz WWJBAWQCCJLBLF-UHFFFAOYSA-N 0 0 446.576 5.496 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000002453902 555782610 /nfs/dbraw/zinc/78/26/10/555782610.db2.gz GQBIKBMOQOXEDD-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1cccc(Cl)c1 ZINC000002454277 555782616 /nfs/dbraw/zinc/78/26/16/555782616.db2.gz GAVXYSORAVFXPS-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN O=C(CSCc1ccc(Br)cc1)NCCSc1ccc(Cl)cc1 ZINC000002466134 555783179 /nfs/dbraw/zinc/78/31/79/555783179.db2.gz KCYADDCEMJXKRZ-UHFFFAOYSA-N 0 0 430.820 5.244 50 0 IKAARN CCCCOc1ccc(NC(=S)N2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000002497418 555784529 /nfs/dbraw/zinc/78/45/29/555784529.db2.gz DASXHPSFAWBMEU-XMMPIXPASA-N 0 0 433.621 6.219 50 0 IKAARN CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1 ZINC000002504746 555784784 /nfs/dbraw/zinc/78/47/84/555784784.db2.gz OLFNXLXEGXRUOI-UHFFFAOYSA-N 0 0 447.582 6.778 50 0 IKAARN CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)c(C)n1 ZINC000002503259 555784825 /nfs/dbraw/zinc/78/48/25/555784825.db2.gz YBCVDTRTONOSFM-UHFFFAOYSA-N 0 0 449.352 5.119 50 0 IKAARN CC(C)(C)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000002506999 555785124 /nfs/dbraw/zinc/78/51/24/555785124.db2.gz FHBYIBUQNKHIRP-UHFFFAOYSA-N 0 0 432.998 5.297 50 0 IKAARN c1c2sc(C3Sc4ccccc4S3)cc2sc1C1Sc2ccccc2S1 ZINC000002519605 555785602 /nfs/dbraw/zinc/78/56/02/555785602.db2.gz GJEDVHIHXMAAIB-UHFFFAOYSA-N 0 0 444.718 8.756 50 0 IKAARN O=C(N[C@H](CCO)c1csc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000002530273 555786174 /nfs/dbraw/zinc/78/61/74/555786174.db2.gz KTYXMKNNGWMFRB-XMMPIXPASA-N 0 0 429.541 5.864 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002542292 555786719 /nfs/dbraw/zinc/78/67/19/555786719.db2.gz YKVKICAZLCIFEB-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000002542254 555786729 /nfs/dbraw/zinc/78/67/29/555786729.db2.gz MTHWFNCRTHBAJG-DHIUTWEWSA-N 0 0 448.860 5.422 50 0 IKAARN Clc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002542285 555786743 /nfs/dbraw/zinc/78/67/43/555786743.db2.gz ODGAOMDKZCQZCD-DHIUTWEWSA-N 0 0 447.325 5.798 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002543407 555787017 /nfs/dbraw/zinc/78/70/17/555787017.db2.gz LLGCHYSXNQYQPY-UHFFFAOYSA-N 0 0 431.197 6.108 50 0 IKAARN Clc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2cccc(Cl)c2)cc1 ZINC000002556106 555787311 /nfs/dbraw/zinc/78/73/11/555787311.db2.gz HTXYHSXREKMQBO-UHFFFAOYSA-N 0 0 433.302 5.489 50 0 IKAARN O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1-c1ccc(Cl)cc1Cl ZINC000002576870 555788187 /nfs/dbraw/zinc/78/81/87/555788187.db2.gz QYDDBBQRVUDKRF-UHFFFAOYSA-N 0 0 436.121 7.741 50 0 IKAARN Cc1c2cc(Br)cc(Cl)c2oc(=O)c1-c1ccc(Br)cc1 ZINC000002581713 555788642 /nfs/dbraw/zinc/78/86/42/555788642.db2.gz XYRMCTZLAUDEMX-UHFFFAOYSA-N 0 0 428.507 5.947 50 0 IKAARN COc1ccccc1-n1cnc2cc(Nc3nnc(-c4ccccc4)c4ccccc43)ccc21 ZINC000002588988 555788870 /nfs/dbraw/zinc/78/88/70/555788870.db2.gz RXFBOTRYHARTBU-UHFFFAOYSA-N 0 0 443.510 6.388 50 0 IKAARN O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000002587123 555788909 /nfs/dbraw/zinc/78/89/09/555788909.db2.gz XLROZLMMWYOBSZ-UHFFFAOYSA-N 0 0 431.369 7.007 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002590395 555789203 /nfs/dbraw/zinc/78/92/03/555789203.db2.gz PMCRSZVEMWTRDB-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN Cc1c(Cl)cccc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000002595172 555789515 /nfs/dbraw/zinc/78/95/15/555789515.db2.gz QTGNVTTUARCUPV-UHFFFAOYSA-N 0 0 442.666 7.633 50 0 IKAARN O=C(CSc1nc2c(n1C(=O)c1ccccc1)CCCC2)c1ccccc1OC(F)F ZINC000002597826 555789759 /nfs/dbraw/zinc/78/97/59/555789759.db2.gz WKFRBMAMUCJTRF-UHFFFAOYSA-N 0 0 442.487 5.027 50 0 IKAARN Cc1ccc(C)c(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000002597196 555789766 /nfs/dbraw/zinc/78/97/66/555789766.db2.gz HHQUOVBNMQZGGA-UHFFFAOYSA-N 0 0 434.948 5.631 50 0 IKAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000034679786 555790081 /nfs/dbraw/zinc/79/00/81/555790081.db2.gz AKAIEBRZMLRQIF-UHFFFAOYSA-N 0 0 426.560 5.139 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccc(OC)c2)cc1 ZINC000002624315 555790190 /nfs/dbraw/zinc/79/01/90/555790190.db2.gz LFGFIIYBKZTQBT-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1Nc1nc2ccccc2nc1Cl ZINC000002634427 555790558 /nfs/dbraw/zinc/79/05/58/555790558.db2.gz GPHSPWPLLZIYBQ-UHFFFAOYSA-N 0 0 444.343 6.585 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1 ZINC000034679857 555790665 /nfs/dbraw/zinc/79/06/65/555790665.db2.gz GONILXXPNQWAFC-UHFFFAOYSA-N 0 0 440.587 5.611 50 0 IKAARN C[C@H](NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)c1ccccc1 ZINC000034679853 555790722 /nfs/dbraw/zinc/79/07/22/555790722.db2.gz XOCBVLOLGMBPLT-QFIPXVFZSA-N 0 0 440.587 5.830 50 0 IKAARN CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667463 555791349 /nfs/dbraw/zinc/79/13/49/555791349.db2.gz MYMRHCZAYUWDBB-HRFSGMKKSA-N 0 0 446.566 5.265 50 0 IKAARN C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667471 555791760 /nfs/dbraw/zinc/79/17/60/555791760.db2.gz YAXFIAZKGNUNPQ-PPHZAIPVSA-N 0 0 444.550 5.019 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000034672405 555793686 /nfs/dbraw/zinc/79/36/86/555793686.db2.gz BNSOHFNTBZSJJV-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 ZINC000034679944 555793723 /nfs/dbraw/zinc/79/37/23/555793723.db2.gz MCFPIQGVGSUTSE-UHFFFAOYSA-N 0 0 446.566 5.606 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCc3cccnc3)cc2)cc1 ZINC000034675935 555794373 /nfs/dbraw/zinc/79/43/73/555794373.db2.gz NQDZNFZHRBDJAL-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1Br ZINC000002669393 555797093 /nfs/dbraw/zinc/79/70/93/555797093.db2.gz CCXUINVVKWCDPF-UHFFFAOYSA-N 0 0 442.165 6.056 50 0 IKAARN Cc1cc(C)nc(SCc2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)n1 ZINC000002671296 555797194 /nfs/dbraw/zinc/79/71/94/555797194.db2.gz CFMDVCOHGDKBDQ-FMIVXFBMSA-N 0 0 445.617 5.772 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002672658 555797506 /nfs/dbraw/zinc/79/75/06/555797506.db2.gz XFUZALQJZXNGQT-YXMGTMDOSA-N 0 0 438.569 5.931 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)cc1 ZINC000002672792 555797513 /nfs/dbraw/zinc/79/75/13/555797513.db2.gz COSWGVKBUYECPL-OAHLLOKOSA-N 0 0 425.665 5.552 50 0 IKAARN CCCCOC(=O)c1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ZINC000002678223 555797782 /nfs/dbraw/zinc/79/77/82/555797782.db2.gz PKIRGGLEENEKHE-KRWDZBQOSA-N 0 0 449.787 5.243 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1)Nc1ccc(F)cc1 ZINC000034679674 555798829 /nfs/dbraw/zinc/79/88/29/555798829.db2.gz QGZGBKSHSUOJIL-UHFFFAOYSA-N 0 0 446.453 5.586 50 0 IKAARN Cc1cc(C)c(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)c(C)c1 ZINC000002689804 555799071 /nfs/dbraw/zinc/79/90/71/555799071.db2.gz KSSCXMUTGDVRDW-UHFFFAOYSA-N 0 0 435.229 5.728 50 0 IKAARN COc1ccc2c(Cl)c(-c3nnc(SC/C=C/c4ccccc4)n3C)sc2c1 ZINC000002696159 555799826 /nfs/dbraw/zinc/79/98/26/555799826.db2.gz CXVUYSFKGAQQTG-RMKNXTFCSA-N 0 0 427.982 6.164 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000002698221 555799992 /nfs/dbraw/zinc/79/99/92/555799992.db2.gz PIKOOFBVYZAEQR-ACCUITESSA-N 0 0 425.282 5.319 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccc(F)cc1 ZINC000002704255 555800750 /nfs/dbraw/zinc/80/07/50/555800750.db2.gz DZSVSTJAWZYEDK-OAQYLSRUSA-N 0 0 435.838 5.037 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002713935 555801482 /nfs/dbraw/zinc/80/14/82/555801482.db2.gz SALQAJDUYUFFGI-UHFFFAOYSA-N 0 0 446.384 6.278 50 0 IKAARN COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)s2)cc1Cl ZINC000002727579 555803112 /nfs/dbraw/zinc/80/31/12/555803112.db2.gz VXOIMDLRAYWZKQ-CQSZACIVSA-N 0 0 449.848 5.617 50 0 IKAARN COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)s2)cc1Cl ZINC000002727578 555803182 /nfs/dbraw/zinc/80/31/82/555803182.db2.gz VXOIMDLRAYWZKQ-AWEZNQCLSA-N 0 0 449.848 5.617 50 0 IKAARN Cc1ccc2c(Cl)c(C(=O)Nc3nc4ccc(Br)cc4s3)sc2c1 ZINC000002736232 555806211 /nfs/dbraw/zinc/80/62/11/555806211.db2.gz YTRAFSWLFMZYGL-UHFFFAOYSA-N 0 0 437.771 6.488 50 0 IKAARN CCSc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)s1 ZINC000002736512 555806244 /nfs/dbraw/zinc/80/62/44/555806244.db2.gz OIXFNNHNFNMAPS-UHFFFAOYSA-N 0 0 426.954 5.771 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc1 ZINC000002737123 555806468 /nfs/dbraw/zinc/80/64/68/555806468.db2.gz LFZZYHMGILSZGG-UHFFFAOYSA-N 0 0 431.333 6.479 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c3ccccc3n2)o1 ZINC000002737712 555806848 /nfs/dbraw/zinc/80/68/48/555806848.db2.gz XHWHYIKWLOMJJK-UHFFFAOYSA-N 0 0 431.517 5.095 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3cccc(Cl)c3)o1)Nc1ccccc1-2 ZINC000002739870 555807116 /nfs/dbraw/zinc/80/71/16/555807116.db2.gz MAXYTZPHCXEJJU-FQEVSTJZSA-N 0 0 436.924 6.067 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc(C)c1-c1ccccc1 ZINC000002739673 555807135 /nfs/dbraw/zinc/80/71/35/555807135.db2.gz KIHQZJBVARCHLB-UHFFFAOYSA-N 0 0 431.460 5.754 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(-c3cccc(Cl)c3)o1)Nc1ccccc1-2 ZINC000002739869 555807146 /nfs/dbraw/zinc/80/71/46/555807146.db2.gz MAXYTZPHCXEJJU-HXUWFJFHSA-N 0 0 436.924 6.067 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 ZINC000002740118 555807164 /nfs/dbraw/zinc/80/71/64/555807164.db2.gz DWSOSKJXHPPFKZ-PKNBQFBNSA-N 0 0 438.376 6.152 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000002741436 555807449 /nfs/dbraw/zinc/80/74/49/555807449.db2.gz ZVACHOGGXGSWIK-WDBUWWRISA-N 0 0 446.012 6.381 50 0 IKAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1c(F)c(F)c(F)c(F)c1F)C[C@@H](C)CC2 ZINC000002742157 555807478 /nfs/dbraw/zinc/80/74/78/555807478.db2.gz MLISFKPMSWVNEE-QMMMGPOBSA-N 0 0 447.425 5.386 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1F ZINC000002746138 555808939 /nfs/dbraw/zinc/80/89/39/555808939.db2.gz HUFBPBVRKWINPC-NDENLUEZSA-N 0 0 437.854 5.411 50 0 IKAARN COC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCCC2 ZINC000002748646 555809722 /nfs/dbraw/zinc/80/97/22/555809722.db2.gz BTHZOFNVEUTWNT-UHFFFAOYSA-N 0 0 433.982 6.232 50 0 IKAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc1 ZINC000002750373 555810097 /nfs/dbraw/zinc/81/00/97/555810097.db2.gz XFHADERAWHNOJV-UHFFFAOYSA-N 0 0 447.663 7.671 50 0 IKAARN COc1cccc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c1 ZINC000002750900 555810357 /nfs/dbraw/zinc/81/03/57/555810357.db2.gz WFXVDEWXLPMGLF-UHFFFAOYSA-N 0 0 437.539 6.117 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n2)cc1 ZINC000002751515 555810395 /nfs/dbraw/zinc/81/03/95/555810395.db2.gz XWMHEVUDPPYDKT-UHFFFAOYSA-N 0 0 436.433 6.572 50 0 IKAARN O=C(CCSCCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000002752952 555810571 /nfs/dbraw/zinc/81/05/71/555810571.db2.gz CEDUNDGRCDNARL-UHFFFAOYSA-N 0 0 428.557 6.084 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCCCC2 ZINC000002753053 555810673 /nfs/dbraw/zinc/81/06/73/555810673.db2.gz CDUJGJPCYCSCMQ-DTQAZKPQSA-N 0 0 425.594 6.143 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(=O)C(C)C ZINC000002753027 555810692 /nfs/dbraw/zinc/81/06/92/555810692.db2.gz RPRPDYUQQOJQTJ-FYJGNVAPSA-N 0 0 429.472 5.144 50 0 IKAARN O=C(NCCCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002753472 555810949 /nfs/dbraw/zinc/81/09/49/555810949.db2.gz NDYXZPCWHKCELG-UHFFFAOYSA-N 0 0 434.539 5.571 50 0 IKAARN CCCCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002756123 555811168 /nfs/dbraw/zinc/81/11/68/555811168.db2.gz SZJDJPBYKYDPKI-UHFFFAOYSA-N 0 0 436.665 7.066 50 0 biogenic IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1ccccc1F ZINC000002757315 555811486 /nfs/dbraw/zinc/81/14/86/555811486.db2.gz TYABGHLSJFZJSY-UHFFFAOYSA-N 0 0 444.459 5.016 50 0 IKAARN O=C(CCSCCC(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000002757125 555811491 /nfs/dbraw/zinc/81/14/91/555811491.db2.gz YCULQWIJUOXIBQ-UHFFFAOYSA-N 0 0 428.557 6.084 50 0 IKAARN S=C(NCCCCCNC(=S)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000002757131 555811509 /nfs/dbraw/zinc/81/15/09/555811509.db2.gz CKABQCZDOSDPTC-UHFFFAOYSA-N 0 0 441.453 5.437 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1 ZINC000002760826 555812126 /nfs/dbraw/zinc/81/21/26/555812126.db2.gz CBQVVKNRZUQSIX-UHFFFAOYSA-N 0 0 427.884 5.721 50 0 IKAARN O=C(/C=C/c1ccccc1)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC2CC2)cc1 ZINC000034680006 555813118 /nfs/dbraw/zinc/81/31/18/555813118.db2.gz SQWQMYVCXFTOCM-DTQAZKPQSA-N 0 0 442.534 5.141 50 0 IKAARN COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000002762272 555813121 /nfs/dbraw/zinc/81/31/21/555813121.db2.gz XZJATTBGOKZMLP-YADHBBJMSA-N 0 0 427.859 5.032 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000002764561 555813816 /nfs/dbraw/zinc/81/38/16/555813816.db2.gz VMWAZQLMNIJGHM-SFHVURJKSA-N 0 0 428.337 5.123 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCCC2 ZINC000002766938 555814000 /nfs/dbraw/zinc/81/40/00/555814000.db2.gz MFIYHVHHLDQVTN-UHFFFAOYSA-N 0 0 447.425 5.532 50 0 IKAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1-c1ccccc1CC2 ZINC000002768188 555814310 /nfs/dbraw/zinc/81/43/10/555814310.db2.gz WNFZBDFNHYCPSC-ZDUSSCGKSA-N 0 0 441.936 5.360 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccc2ccccc2c1 ZINC000002768082 555814371 /nfs/dbraw/zinc/81/43/71/555814371.db2.gz CERHGWMHSHWTCQ-UHFFFAOYSA-N 0 0 447.563 6.695 50 0 IKAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CCC(Cc2ccccc2)CC1 ZINC000002769111 555814629 /nfs/dbraw/zinc/81/46/29/555814629.db2.gz HQILOUDJLUWLDZ-UHFFFAOYSA-N 0 0 446.501 5.429 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccc(Cl)cc4)c3n2)cc1 ZINC000002769544 555814890 /nfs/dbraw/zinc/81/48/90/555814890.db2.gz VCDOMCJYTCXFMO-UHFFFAOYSA-N 0 0 426.854 5.226 50 0 IKAARN Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)c2n1 ZINC000002769927 555815344 /nfs/dbraw/zinc/81/53/44/555815344.db2.gz PEGLBNBWGLHDHO-UHFFFAOYSA-N 0 0 449.177 5.009 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)cc1 ZINC000002770557 555815583 /nfs/dbraw/zinc/81/55/83/555815583.db2.gz AKCHXXVZPIQKTD-UHFFFAOYSA-N 0 0 428.826 5.248 50 0 IKAARN CCOc1ccc2nc(SCCC(=O)Nc3ccccc3Br)sc2c1 ZINC000002773846 555816853 /nfs/dbraw/zinc/81/68/53/555816853.db2.gz FUGBSCQHQSCTSF-UHFFFAOYSA-N 0 0 437.384 5.578 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1-c1ccc(CCC)cc1 ZINC000002773731 555816868 /nfs/dbraw/zinc/81/68/68/555816868.db2.gz AORIJGLEXBOJGT-UHFFFAOYSA-N 0 0 439.577 6.705 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000002774665 555817181 /nfs/dbraw/zinc/81/71/81/555817181.db2.gz BBWPPJINYNADPJ-UHFFFAOYSA-N 0 0 431.875 5.604 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000002775316 555817548 /nfs/dbraw/zinc/81/75/48/555817548.db2.gz KYGQTDXTENPFLO-UHFFFAOYSA-N 0 0 426.954 5.380 50 0 IKAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000002777214 555818403 /nfs/dbraw/zinc/81/84/03/555818403.db2.gz FKSVSRIJDMOTSA-QFBILLFUSA-N 0 0 442.625 5.411 50 0 IKAARN CCc1ccc(N(C2CCN(Cc3ccsc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683826 555819539 /nfs/dbraw/zinc/81/95/39/555819539.db2.gz UAHRJEQXHZSCGD-UHFFFAOYSA-N 0 0 440.634 5.170 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@@H](CC)C2 ZINC000002783306 555819790 /nfs/dbraw/zinc/81/97/90/555819790.db2.gz RNGKZPYJHVGDNU-XLIONFOSSA-N 0 0 443.609 5.853 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@@H](CC)C2 ZINC000002783304 555819803 /nfs/dbraw/zinc/81/98/03/555819803.db2.gz RNGKZPYJHVGDNU-YLJYHZDGSA-N 0 0 443.609 5.853 50 0 IKAARN COC(=O)c1c(NC(=O)c2c(F)cccc2Cl)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000002783220 555819828 /nfs/dbraw/zinc/81/98/28/555819828.db2.gz VVQQFMBPQUONEV-CQSZACIVSA-N 0 0 443.927 5.852 50 0 IKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000002798819 555823509 /nfs/dbraw/zinc/82/35/09/555823509.db2.gz FQIKBTBKINBTLF-UHFFFAOYSA-N 0 0 447.360 5.505 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000002799038 555823754 /nfs/dbraw/zinc/82/37/54/555823754.db2.gz XKKNWHASSLQADA-AWEZNQCLSA-N 0 0 443.494 5.770 50 0 IKAARN CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710152 555824094 /nfs/dbraw/zinc/82/40/94/555824094.db2.gz OKOYLWNJPGAUJF-IRLDBZIGSA-N 0 0 444.497 5.054 50 0 IKAARN O=C(NCc1cccc(F)c1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000034711870 555824815 /nfs/dbraw/zinc/82/48/15/555824815.db2.gz JVBRGWLNBYNFSS-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3ccc(OCc4cc(C)ccc4C)cc3)n2)c1 ZINC000034711818 555824881 /nfs/dbraw/zinc/82/48/81/555824881.db2.gz DXQAYKWCHBRDMY-UHFFFAOYSA-N 0 0 428.557 6.567 50 0 IKAARN O=C(NCc1cccc(F)c1)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000034711667 555824904 /nfs/dbraw/zinc/82/49/04/555824904.db2.gz JOQDNOONGGJHJY-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)cc3)n2)c1 ZINC000034711920 555825152 /nfs/dbraw/zinc/82/51/52/555825152.db2.gz SUUWAEPTTJYKFW-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 ZINC000034712004 555825167 /nfs/dbraw/zinc/82/51/67/555825167.db2.gz ZFAUNDSUSBJYEV-UHFFFAOYSA-N 0 0 434.948 6.603 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034711937 555825186 /nfs/dbraw/zinc/82/51/86/555825186.db2.gz LCDHMNYRPOKVAA-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1 ZINC000034711914 555825190 /nfs/dbraw/zinc/82/51/90/555825190.db2.gz DGARMDQJVKKGKB-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 ZINC000034712010 555825195 /nfs/dbraw/zinc/82/51/95/555825195.db2.gz LSGUKDSQVGIEAC-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 ZINC000034712414 555825736 /nfs/dbraw/zinc/82/57/36/555825736.db2.gz YJBRHTXCRSFHMN-UHFFFAOYSA-N 0 0 430.957 5.533 50 0 IKAARN COc1cc(-c2nc(C(=O)NCCC(C)C)cs2)ccc1OCc1ccc(F)c(F)c1 ZINC000034712468 555825776 /nfs/dbraw/zinc/82/57/76/555825776.db2.gz WHOXYHUBTKZJQL-UHFFFAOYSA-N 0 0 446.519 5.452 50 0 IKAARN O=C(NCc1cccc(F)c1)c1csc(-c2cccc(OCc3ccccc3F)c2)n1 ZINC000034712667 555825796 /nfs/dbraw/zinc/82/57/96/555825796.db2.gz HAOGZIPZQGNFHE-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000034712643 555825815 /nfs/dbraw/zinc/82/58/15/555825815.db2.gz HPOWEGKMDKWFJJ-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN O=C(NCCc1ccccn1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034712944 555826084 /nfs/dbraw/zinc/82/60/84/555826084.db2.gz OFZXVCVIKHTKFH-UHFFFAOYSA-N 0 0 449.963 5.410 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034712951 555826094 /nfs/dbraw/zinc/82/60/94/555826094.db2.gz FRKMXTMSYLQZAJ-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN CC(C)CNC(=O)c1csc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)n1 ZINC000034712917 555826104 /nfs/dbraw/zinc/82/61/04/555826104.db2.gz CUATWSDAQZFDFV-UHFFFAOYSA-N 0 0 434.483 5.794 50 0 IKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1 ZINC000034713287 555826343 /nfs/dbraw/zinc/82/63/43/555826343.db2.gz UAPZOBPTJUCLKE-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1 ZINC000034713243 555826353 /nfs/dbraw/zinc/82/63/53/555826353.db2.gz QECMCXYXPULGAQ-UHFFFAOYSA-N 0 0 432.520 5.800 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4ccccc4Br)ccc32)cc1 ZINC000002811904 555827552 /nfs/dbraw/zinc/82/75/52/555827552.db2.gz PFMPNXYHROVMDG-UHFFFAOYSA-N 0 0 437.289 5.810 50 0 biogenic IKAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000002812974 555827854 /nfs/dbraw/zinc/82/78/54/555827854.db2.gz QOFVGAYYQHQRNN-UHFFFAOYSA-N 0 0 444.600 6.294 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2ccccc2o1 ZINC000002814062 555828166 /nfs/dbraw/zinc/82/81/66/555828166.db2.gz UPRYARRYELYMEB-UHFFFAOYSA-N 0 0 443.572 6.228 50 0 IKAARN CCCC[C@H](C(=O)Nc1ccc(C)cc1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002814174 555828216 /nfs/dbraw/zinc/82/82/16/555828216.db2.gz VZYPLVDFBNAVAM-LJQANCHMSA-N 0 0 433.335 5.404 50 0 IKAARN COc1ccc(NC(=O)c2sc(Nc3cccc(OC)c3)nc2-c2ccccc2)cc1 ZINC000002816801 555828783 /nfs/dbraw/zinc/82/87/83/555828783.db2.gz LCXWOYUSLQSWPB-UHFFFAOYSA-N 0 0 431.517 5.823 50 0 IKAARN COc1ccc(/C=C/C(=O)NCCSCc2c(Cl)cccc2Cl)cc1OC ZINC000002817534 555829118 /nfs/dbraw/zinc/82/91/18/555829118.db2.gz HVJINFMNBNNFLT-VQHVLOKHSA-N 0 0 426.365 5.073 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Oc3ccccc3)cc1)C1c3ccccc3C2c2ccccc21 ZINC000002818769 555829428 /nfs/dbraw/zinc/82/94/28/555829428.db2.gz WNUQPIXOKYTGES-PAIGMYNKSA-N 0 0 443.502 5.876 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1OC ZINC000002819311 555829478 /nfs/dbraw/zinc/82/94/78/555829478.db2.gz LBXKASLFTDMNTQ-UHFFFAOYSA-N 0 0 439.737 5.492 50 0 IKAARN Cc1c(Cl)cccc1N[C@H](CC(=O)c1ccccc1)C(=O)OCC(=O)c1cccs1 ZINC000002819449 555829800 /nfs/dbraw/zinc/82/98/00/555829800.db2.gz KECUFURCSTZLKS-LJQANCHMSA-N 0 0 441.936 5.190 50 0 IKAARN O=C(NCCc1ccccn1)c1csc(-c2ccccc2OCc2cccc(Cl)c2)n1 ZINC000034714120 555830062 /nfs/dbraw/zinc/83/00/62/555830062.db2.gz SITUWTLTYFUEDP-UHFFFAOYSA-N 0 0 449.963 5.410 50 0 IKAARN CCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000002822023 555830172 /nfs/dbraw/zinc/83/01/72/555830172.db2.gz LCNCGMAORMKODE-JOCHJYFZSA-N 0 0 430.533 5.706 50 0 IKAARN O=C(NCCOc1cccc2cccnc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002824279 555830670 /nfs/dbraw/zinc/83/06/70/555830670.db2.gz IVRPNYRKMWCDMT-UHFFFAOYSA-N 0 0 428.332 5.081 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(CSc3ccc(Cl)cc3)s2)cc1 ZINC000002824318 555830700 /nfs/dbraw/zinc/83/07/00/555830700.db2.gz KUGWCEVWPWIMGW-UHFFFAOYSA-N 0 0 433.002 6.425 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3ccccc3Br)s2)cc1 ZINC000002824411 555830773 /nfs/dbraw/zinc/83/07/73/555830773.db2.gz HZMJQBWSIHEFAI-UHFFFAOYSA-N 0 0 431.359 5.909 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccc(N)cc1 ZINC000002826293 555830976 /nfs/dbraw/zinc/83/09/76/555830976.db2.gz OTISSJDFSDDEBK-UHFFFAOYSA-N 0 0 443.532 5.177 50 0 IKAARN O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000002834263 555832293 /nfs/dbraw/zinc/83/22/93/555832293.db2.gz AYEAIGQYIIXZOR-UHFFFAOYSA-N 0 0 427.422 5.757 50 0 IKAARN Cc1nc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)cs1 ZINC000002833461 555832375 /nfs/dbraw/zinc/83/23/75/555832375.db2.gz ZHCDECAUIOPSPK-UHFFFAOYSA-N 0 0 439.631 5.773 50 0 IKAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1ccccc1 ZINC000002836275 555832915 /nfs/dbraw/zinc/83/29/15/555832915.db2.gz YJWAKONLDKQZCC-UHFFFAOYSA-N 0 0 435.578 5.128 50 0 IKAARN O=C(NCc1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002835749 555832941 /nfs/dbraw/zinc/83/29/41/555832941.db2.gz KQPJIEXZHARLSQ-UHFFFAOYSA-N 0 0 433.722 5.829 50 0 IKAARN COc1cc(CNc2ccc(NC(=O)C(C)C)cc2)ccc1OCc1ccccc1Cl ZINC000002836400 555832974 /nfs/dbraw/zinc/83/29/74/555832974.db2.gz IMZTZVDCVQVUQS-UHFFFAOYSA-N 0 0 438.955 6.134 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000002836989 555833464 /nfs/dbraw/zinc/83/34/64/555833464.db2.gz ZEUZXLMNEQYICR-FQEVSTJZSA-N 0 0 442.588 5.979 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000002836988 555833499 /nfs/dbraw/zinc/83/34/99/555833499.db2.gz ZEUZXLMNEQYICR-HXUWFJFHSA-N 0 0 442.588 5.979 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002837027 555833781 /nfs/dbraw/zinc/83/37/81/555833781.db2.gz NWRACYPASNXREN-UHFFFAOYSA-N 0 0 432.479 5.626 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000002837714 555833802 /nfs/dbraw/zinc/83/38/02/555833802.db2.gz YVFHAFLQUZQWCV-UHFFFAOYSA-N 0 0 447.343 5.405 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)cc1C ZINC000002837877 555834082 /nfs/dbraw/zinc/83/40/82/555834082.db2.gz UJJYUKFAZIXGNT-PMACEKPBSA-N 0 0 434.609 5.433 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2cccc(C)c2)c1 ZINC000002838254 555834104 /nfs/dbraw/zinc/83/41/04/555834104.db2.gz VWGMDJQGOIBKSZ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000002838331 555834345 /nfs/dbraw/zinc/83/43/45/555834345.db2.gz QQPRJPMSIPZWSF-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCCCc1ccc2nc(NC(=O)c3ccccc3I)sc2c1 ZINC000002838505 555834399 /nfs/dbraw/zinc/83/43/99/555834399.db2.gz YTVDZZYBLXPPGB-UHFFFAOYSA-N 0 0 436.318 5.496 50 0 IKAARN CCCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccc(OC)c(OC)c1 ZINC000002838743 555834406 /nfs/dbraw/zinc/83/44/06/555834406.db2.gz GEERVGKTLSUSCM-UHFFFAOYSA-N 0 0 444.984 6.644 50 0 IKAARN CCCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1ccc(Cl)c(Cl)c1 ZINC000002838772 555834632 /nfs/dbraw/zinc/83/46/32/555834632.db2.gz IKJDUFVDAZOPDP-UHFFFAOYSA-N 0 0 435.376 6.899 50 0 IKAARN CCCc1sc(N(C(=O)CC)c2ccccc2Cl)nc1-c1ccc(OCC)cc1 ZINC000002838814 555834664 /nfs/dbraw/zinc/83/46/64/555834664.db2.gz CRVLZNZRIAWSMD-UHFFFAOYSA-N 0 0 428.985 6.889 50 0 IKAARN CSc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002840580 555835012 /nfs/dbraw/zinc/83/50/12/555835012.db2.gz YBNSCBSPZJSWNZ-CYBMUJFWSA-N 0 0 449.523 6.004 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1I ZINC000002839715 555835050 /nfs/dbraw/zinc/83/50/50/555835050.db2.gz ZKKTZTFWCLQTQH-LJQANCHMSA-N 0 0 447.703 5.464 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000002840699 555835287 /nfs/dbraw/zinc/83/52/87/555835287.db2.gz SFLNXGMTTWLEJF-NRFANRHFSA-N 0 0 432.328 5.062 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1 ZINC000002840650 555835298 /nfs/dbraw/zinc/83/52/98/555835298.db2.gz OJQHNAOJBQPUPV-UHFFFAOYSA-N 0 0 444.727 5.436 50 0 IKAARN CC(C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1Cl ZINC000002841613 555835810 /nfs/dbraw/zinc/83/58/10/555835810.db2.gz VMFVZEDKJBHSNR-UHFFFAOYSA-N 0 0 447.387 6.959 50 0 IKAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002841632 555835857 /nfs/dbraw/zinc/83/58/57/555835857.db2.gz RKZLUOMTYPYYIY-UHFFFAOYSA-N 0 0 441.771 5.097 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(Br)ccc1Cl ZINC000002842153 555836102 /nfs/dbraw/zinc/83/61/02/555836102.db2.gz GGSDFMWBVXZJLF-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN COc1ccc(NC(=O)c2cc(C)sc2NC(=O)c2cccc(Br)c2)cc1 ZINC000002841752 555836114 /nfs/dbraw/zinc/83/61/14/555836114.db2.gz CXCKYMZODZWCKG-UHFFFAOYSA-N 0 0 445.338 5.332 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000002842925 555836394 /nfs/dbraw/zinc/83/63/94/555836394.db2.gz JSDVGIUJYXRXAG-UHFFFAOYSA-N 0 0 430.916 7.129 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000002842968 555836432 /nfs/dbraw/zinc/83/64/32/555836432.db2.gz XDDPGNSAHJDXES-UHFFFAOYSA-N 0 0 449.407 6.126 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002844149 555836934 /nfs/dbraw/zinc/83/69/34/555836934.db2.gz LVIMDVGTIQMTJR-UHFFFAOYSA-N 0 0 439.378 5.860 50 0 IKAARN O=C(Oc1ccccc1)c1ccccc1OCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000002844388 555836943 /nfs/dbraw/zinc/83/69/43/555836943.db2.gz FFQSUBDUIVRKGK-UHFFFAOYSA-N 0 0 444.508 5.318 50 0 IKAARN COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000002845424 555837290 /nfs/dbraw/zinc/83/72/90/555837290.db2.gz VHVAKSPPTXCZLX-UHFFFAOYSA-N 0 0 434.280 5.927 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(C)c1 ZINC000002845626 555837292 /nfs/dbraw/zinc/83/72/92/555837292.db2.gz JRJGVVIONXHSKN-UHFFFAOYSA-N 0 0 428.513 5.204 50 0 aggregator IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000002845065 555837293 /nfs/dbraw/zinc/83/72/93/555837293.db2.gz JWCWYJVNSJFOFS-UHFFFAOYSA-N 0 0 449.355 5.633 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000002846351 555837647 /nfs/dbraw/zinc/83/76/47/555837647.db2.gz LRIBECICYPOLRV-ZDUSSCGKSA-N 0 0 427.287 6.208 50 0 IKAARN O=C1N(Cc2cccc3ccccc32)c2ccc(Cl)cc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000002846238 555837679 /nfs/dbraw/zinc/83/76/79/555837679.db2.gz YWGDARGYYRVZLF-HHHXNRCGSA-N 0 0 438.914 5.757 50 0 IKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(I)cc2C(F)(F)F)c1 ZINC000002849674 555838636 /nfs/dbraw/zinc/83/86/36/555838636.db2.gz CVWUUYXLCVCTGI-UHFFFAOYSA-N 0 0 449.210 5.350 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002850532 555838940 /nfs/dbraw/zinc/83/89/40/555838940.db2.gz FRCWPSOXXPSIMC-CYBMUJFWSA-N 0 0 443.355 6.676 50 0 IKAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)c(F)c2)cc1 ZINC000002853100 555840435 /nfs/dbraw/zinc/84/04/35/555840435.db2.gz IPHNQDCJYNDYLJ-UHFFFAOYSA-N 0 0 433.435 5.137 50 0 IKAARN Cc1cc(C)cc(NC(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1 ZINC000002854099 555840813 /nfs/dbraw/zinc/84/08/13/555840813.db2.gz MXGPJKFPZYUQMC-UHFFFAOYSA-N 0 0 433.891 5.748 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=S)Nc2nn(Cc3ccccc3Cl)cc2Cl)cc1 ZINC000002855691 555841430 /nfs/dbraw/zinc/84/14/30/555841430.db2.gz UZZLQNPKNQBOQS-CQSZACIVSA-N 0 0 433.408 6.561 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000002856298 555841636 /nfs/dbraw/zinc/84/16/36/555841636.db2.gz JQNMAUZBSOUCBB-UHFFFAOYSA-N 0 0 440.540 5.092 50 0 IKAARN Cc1cc(C)cc(NC(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c1 ZINC000002858091 555842737 /nfs/dbraw/zinc/84/27/37/555842737.db2.gz INRNUVOUWXMICH-UHFFFAOYSA-N 0 0 427.500 5.327 50 0 aggregator IKAARN O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)Nc1ccc(F)cc1F ZINC000002858362 555842945 /nfs/dbraw/zinc/84/29/45/555842945.db2.gz QBPDEDWNWDVIFR-UHFFFAOYSA-N 0 0 431.657 5.814 50 0 IKAARN CCc1c(C)sc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1C(=O)OC ZINC000002858284 555843002 /nfs/dbraw/zinc/84/30/02/555843002.db2.gz COMYDVCLKXEKAY-UHFFFAOYSA-N 0 0 434.917 5.469 50 0 IKAARN COc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)cc1 ZINC000002859358 555843565 /nfs/dbraw/zinc/84/35/65/555843565.db2.gz YBXFXDYQAPSUQP-XMMPIXPASA-N 0 0 443.474 5.303 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000002859364 555843576 /nfs/dbraw/zinc/84/35/76/555843576.db2.gz RKLRUYCENAFQRU-UHFFFAOYSA-N 0 0 436.851 5.706 50 0 IKAARN COc1cc2sc(NC(=O)c3cc(Br)ccc3Cl)nc2cc1Cl ZINC000002859660 555843880 /nfs/dbraw/zinc/84/38/80/555843880.db2.gz NRZWHJDRAAKYJQ-UHFFFAOYSA-N 0 0 432.126 5.627 50 0 IKAARN CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002859591 555843882 /nfs/dbraw/zinc/84/38/82/555843882.db2.gz ILVNQBAIIJCBDT-QHCPKHFHSA-N 0 0 445.902 5.591 50 0 IKAARN CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002860419 555844145 /nfs/dbraw/zinc/84/41/45/555844145.db2.gz VLALVURCYQIQSG-DEOSSOPVSA-N 0 0 443.930 6.315 50 0 IKAARN O=C(OCc1c(Cl)cccc1Cl)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000002861217 555844519 /nfs/dbraw/zinc/84/45/19/555844519.db2.gz VZMCBAGMDVBWDH-UHFFFAOYSA-N 0 0 425.271 6.067 50 0 IKAARN O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCc2ccccc21 ZINC000002861939 555845135 /nfs/dbraw/zinc/84/51/35/555845135.db2.gz NZYQJRCAAONTFR-UHFFFAOYSA-N 0 0 427.507 6.167 50 0 IKAARN Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1C ZINC000002861881 555845163 /nfs/dbraw/zinc/84/51/63/555845163.db2.gz AAYOKUDJLGCXQJ-UHFFFAOYSA-N 0 0 433.327 5.003 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002863208 555846000 /nfs/dbraw/zinc/84/60/00/555846000.db2.gz DRTMPTIDKJJRIJ-UHFFFAOYSA-N 0 0 426.649 6.463 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000002865874 555847047 /nfs/dbraw/zinc/84/70/47/555847047.db2.gz YXCVJRNQHPKRIT-UHFFFAOYSA-N 0 0 439.323 7.269 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002866771 555847799 /nfs/dbraw/zinc/84/77/99/555847799.db2.gz UTUIZZWGHJNZPQ-CQSZACIVSA-N 0 0 435.351 5.462 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)cc1 ZINC000002867678 555848079 /nfs/dbraw/zinc/84/80/79/555848079.db2.gz IZZKPKVGFHFCGC-UHFFFAOYSA-N 0 0 445.316 6.119 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002867833 555848116 /nfs/dbraw/zinc/84/81/16/555848116.db2.gz SYXDFJPUTRIJBX-UHFFFAOYSA-N 0 0 426.825 6.826 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)cc1OC ZINC000002867616 555848170 /nfs/dbraw/zinc/84/81/70/555848170.db2.gz UOGDEBLZHDJJNZ-UHFFFAOYSA-N 0 0 442.515 5.959 50 0 IKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002868156 555848365 /nfs/dbraw/zinc/84/83/65/555848365.db2.gz FHBAEPSVHQUFDD-UHFFFAOYSA-N 0 0 446.554 6.324 50 0 IKAARN O=C(Nc1ccccc1C(=O)OCc1cccc(C(=O)c2ccccc2)c1)c1ccccc1 ZINC000002868200 555848377 /nfs/dbraw/zinc/84/83/77/555848377.db2.gz QWCFNUWNWMUJMI-UHFFFAOYSA-N 0 0 435.479 5.527 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000002867847 555848390 /nfs/dbraw/zinc/84/83/90/555848390.db2.gz DCZSQWVLVKNDRW-UHFFFAOYSA-N 0 0 436.920 5.964 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccc(Cl)c(C)c3n2)cc1 ZINC000002868162 555848410 /nfs/dbraw/zinc/84/84/10/555848410.db2.gz NEOZTTRICPMYDQ-UHFFFAOYSA-N 0 0 445.906 5.223 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)nc1-c1ccccc1 ZINC000002867842 555848448 /nfs/dbraw/zinc/84/84/48/555848448.db2.gz APKQHZIBRJECCP-UHFFFAOYSA-N 0 0 436.540 6.289 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000002868262 555848460 /nfs/dbraw/zinc/84/84/60/555848460.db2.gz XZQHKCQIKBESNP-UHFFFAOYSA-N 0 0 449.359 6.105 50 0 IKAARN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1I ZINC000002868963 555849022 /nfs/dbraw/zinc/84/90/22/555849022.db2.gz JXNMIPKQKIMENF-UHFFFAOYSA-N 0 0 445.325 5.836 50 0 IKAARN C[C@H](Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000002870102 555849371 /nfs/dbraw/zinc/84/93/71/555849371.db2.gz HVZJEUXZBXJKKM-HNNXBMFYSA-N 0 0 437.362 6.002 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000002869921 555849380 /nfs/dbraw/zinc/84/93/80/555849380.db2.gz PFPSZTQEMIPHLM-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN C[C@@H](Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000002870103 555849385 /nfs/dbraw/zinc/84/93/85/555849385.db2.gz HVZJEUXZBXJKKM-OAHLLOKOSA-N 0 0 437.362 6.002 50 0 IKAARN COCCNC(=O)c1csc(-c2ccccc2OCc2ccc(Cl)cc2Cl)n1 ZINC000034714305 555849721 /nfs/dbraw/zinc/84/97/21/555849721.db2.gz JTZASBCHVWHRJA-UHFFFAOYSA-N 0 0 437.348 5.072 50 0 IKAARN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000002871499 555850039 /nfs/dbraw/zinc/85/00/39/555850039.db2.gz MURDUWPIONCQSH-UHFFFAOYSA-N 0 0 448.569 5.615 50 0 IKAARN CC(C)c1ccc(OCC(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)cc1 ZINC000002871365 555850047 /nfs/dbraw/zinc/85/00/47/555850047.db2.gz ZZTSBFDEPBGJHK-RMKNXTFCSA-N 0 0 425.579 5.485 50 0 IKAARN Cc1cccc(O[C@H](C)C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)c1C ZINC000002871955 555850428 /nfs/dbraw/zinc/85/04/28/555850428.db2.gz OAPJMCAFXXMNRP-FWVUHSSSSA-N 0 0 425.579 5.366 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1nc(-c2ccccc2)cs1 ZINC000002872480 555850721 /nfs/dbraw/zinc/85/07/21/555850721.db2.gz OLCMDUVQPZFSFS-UHFFFAOYSA-N 0 0 428.926 5.244 50 0 IKAARN CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000002874153 555851085 /nfs/dbraw/zinc/85/10/85/555851085.db2.gz GOVLRXODZMGFFG-HSZRJFAPSA-N 0 0 442.544 5.733 50 0 IKAARN CCC[C@@H]1CO[C@](CSC(=S)N2CCCCC2)(c2ccc(Cl)cc2Cl)O1 ZINC000002874890 555851801 /nfs/dbraw/zinc/85/18/01/555851801.db2.gz CGPFXOVFQCWIPK-BEFAXECRSA-N 0 0 434.454 5.866 50 0 IKAARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1SCc1ccc(F)cc1 ZINC000002877212 555852898 /nfs/dbraw/zinc/85/28/98/555852898.db2.gz SMIICWQAJUGEGQ-UHFFFAOYSA-N 0 0 427.570 6.270 50 0 IKAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000002877770 555853201 /nfs/dbraw/zinc/85/32/01/555853201.db2.gz KEOADRXBXJXVIT-UHFFFAOYSA-N 0 0 445.950 6.037 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3ccc(OC)cc3)c3cc(OC)c(OC)cc3c12 ZINC000002878761 555853617 /nfs/dbraw/zinc/85/36/17/555853617.db2.gz ZYTYDKHALPAXNK-UHFFFAOYSA-N 0 0 439.515 5.829 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3ccccc3O)c3cc(OC)c(OC)cc3c12 ZINC000002878800 555853996 /nfs/dbraw/zinc/85/39/96/555853996.db2.gz KUHGRYQUQHCWOL-UHFFFAOYSA-N 0 0 425.488 5.526 50 0 IKAARN O=C(NC(=S)Nc1cccc2ncccc21)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002879805 555854599 /nfs/dbraw/zinc/85/45/99/555854599.db2.gz KMRIQDOJXVYFHV-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cc(Br)ccc1Cl ZINC000002880706 555854943 /nfs/dbraw/zinc/85/49/43/555854943.db2.gz MYWDOACDILJQQO-UHFFFAOYSA-N 0 0 441.712 5.841 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(F)c1F ZINC000002880714 555854958 /nfs/dbraw/zinc/85/49/58/555854958.db2.gz UZQZZVVHZFTATK-UHFFFAOYSA-N 0 0 443.352 5.277 50 0 IKAARN O=C(Nc1ccc(I)cc1F)c1ccc(OCc2ccccc2)cc1 ZINC000002881604 555855516 /nfs/dbraw/zinc/85/55/16/555855516.db2.gz PPENNVJFABVUIN-UHFFFAOYSA-N 0 0 447.247 5.262 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(OCc3ccccc3)c1)Nc1ccccc1-2 ZINC000002882502 555856315 /nfs/dbraw/zinc/85/63/15/555856315.db2.gz YMTDWZMOPNSGNI-QHCPKHFHSA-N 0 0 442.544 5.733 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000002883286 555856580 /nfs/dbraw/zinc/85/65/80/555856580.db2.gz BPJDGDGXHYVJML-UHFFFAOYSA-N 0 0 432.520 5.506 50 0 IKAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002882912 555856582 /nfs/dbraw/zinc/85/65/82/555856582.db2.gz TUHNNZWRWOPEGV-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000002883689 555856939 /nfs/dbraw/zinc/85/69/39/555856939.db2.gz CLFXFOPPLRBYIQ-UHFFFAOYSA-N 0 0 435.735 5.458 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1sc2ccccc2c1Cl ZINC000002884933 555857557 /nfs/dbraw/zinc/85/75/57/555857557.db2.gz VNHSKVOYBWCWSY-UHFFFAOYSA-N 0 0 434.973 7.392 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000002885287 555857820 /nfs/dbraw/zinc/85/78/20/555857820.db2.gz SDPAANGDUBZVTA-UHFFFAOYSA-N 0 0 430.891 6.034 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c(C)c1 ZINC000002888930 555859406 /nfs/dbraw/zinc/85/94/06/555859406.db2.gz QYKOMJJDGIEDRS-UHFFFAOYSA-N 0 0 442.968 5.627 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccc(Cl)cc1Br ZINC000002893395 555859967 /nfs/dbraw/zinc/85/99/67/555859967.db2.gz FEWDSQZHEWSSKE-UHFFFAOYSA-N 0 0 439.520 6.037 50 0 IKAARN CCCCOC(=O)c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000002900657 555860654 /nfs/dbraw/zinc/86/06/54/555860654.db2.gz XEHJOXWLFWISHZ-UHFFFAOYSA-N 0 0 425.421 6.322 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(Oc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000002904332 555860873 /nfs/dbraw/zinc/86/08/73/555860873.db2.gz GULJSAPOFAMOFW-UHFFFAOYSA-N 0 0 444.534 7.587 50 0 IKAARN CCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 ZINC000002906474 555861570 /nfs/dbraw/zinc/86/15/70/555861570.db2.gz CWMJBCQYMUQGIW-JOCHJYFZSA-N 0 0 430.533 5.706 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1c(OC)ccc3ccccc31)Nc1ccccc1-2 ZINC000002911094 555862096 /nfs/dbraw/zinc/86/20/96/555862096.db2.gz LVRVCZHBVDCBBH-JOCHJYFZSA-N 0 0 430.533 5.706 50 0 IKAARN O[C@@H](Cc1nc2ccccc2n1Cc1ccc(Br)cc1)c1ccccc1Cl ZINC000002912061 555862238 /nfs/dbraw/zinc/86/22/38/555862238.db2.gz 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Fc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1ccccc1 ZINC000002917960 555863062 /nfs/dbraw/zinc/86/30/62/555863062.db2.gz SICBCJXSZQBNOK-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccccc3)C1[C@@H](c1ccccc1Cl)O2 ZINC000002917971 555863072 /nfs/dbraw/zinc/86/30/72/555863072.db2.gz UNRBLJPOHDVRCY-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(C)c3)c(Br)c2)c1 ZINC000002923823 555863448 /nfs/dbraw/zinc/86/34/48/555863448.db2.gz HQFORZKRJHXMBZ-UHFFFAOYSA-N 0 0 425.278 5.504 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1Cl ZINC000002930681 555864112 /nfs/dbraw/zinc/86/41/12/555864112.db2.gz ZORATTCDGGBAJU-UHFFFAOYSA-N 0 0 443.355 6.921 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccc(Br)c1 ZINC000002929922 555864131 /nfs/dbraw/zinc/86/41/31/555864131.db2.gz CUWCUCBIJUFWRB-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000002930707 555864179 /nfs/dbraw/zinc/86/41/79/555864179.db2.gz DFWRFQYKQRQYKR-UHFFFAOYSA-N 0 0 432.545 6.321 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccc(OCc2ccccc2)c1 ZINC000002935590 555864462 /nfs/dbraw/zinc/86/44/62/555864462.db2.gz IIGXRGXRNGBWIS-UHFFFAOYSA-N 0 0 436.467 6.032 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1Cl ZINC000002935363 555864482 /nfs/dbraw/zinc/86/44/82/555864482.db2.gz KNHMHTLMKPMQHQ-UHFFFAOYSA-N 0 0 434.923 6.724 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1 ZINC000002936363 555864511 /nfs/dbraw/zinc/86/45/11/555864511.db2.gz QMQGVPJTDVKHTL-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OCC)cc4)nc3cc2C)cc1 ZINC000002938788 555864814 /nfs/dbraw/zinc/86/48/14/555864814.db2.gz MZLXBNCGNXVNAS-UHFFFAOYSA-N 0 0 430.508 5.169 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CCC2 ZINC000002941363 555865022 /nfs/dbraw/zinc/86/50/22/555865022.db2.gz HBEZXRRBUOJPFH-UHFFFAOYSA-N 0 0 426.541 6.203 50 0 IKAARN CCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)CC[C@H]1c1ccc(F)c(C)c1 ZINC000034716554 555865787 /nfs/dbraw/zinc/86/57/87/555865787.db2.gz YFVANEFTHZAYCX-XXBNENTESA-N 0 0 441.547 5.044 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccccc1Cl ZINC000002951007 555866035 /nfs/dbraw/zinc/86/60/35/555866035.db2.gz VJGSTHPFQNUCOB-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN CCCOc1ccc(-c2ccc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)cc2)cc1 ZINC000002955126 555866631 /nfs/dbraw/zinc/86/66/31/555866631.db2.gz WPYUAZCAFUCDAB-UHFFFAOYSA-N 0 0 446.503 5.885 50 0 IKAARN COc1cccc2cc(-c3nnc(Nc4ccc(Oc5ccccc5)cc4)s3)c(=O)oc21 ZINC000002956034 555866730 /nfs/dbraw/zinc/86/67/30/555866730.db2.gz YDTRWRDYQUYLMR-UHFFFAOYSA-N 0 0 443.484 5.856 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000002957281 555866982 /nfs/dbraw/zinc/86/69/82/555866982.db2.gz BIXHEXNTOWPZPJ-UHFFFAOYSA-N 0 0 448.931 5.549 50 0 IKAARN COc1cc(-c2nc(C(=O)N(C)C(C)C)cs2)ccc1OCc1cccc(Cl)c1 ZINC000034717308 555867200 /nfs/dbraw/zinc/86/72/00/555867200.db2.gz RJBUQSPRSXONNQ-UHFFFAOYSA-N 0 0 430.957 5.532 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000034717237 555867267 /nfs/dbraw/zinc/86/72/67/555867267.db2.gz JXBMGCRDCGMLQK-UHFFFAOYSA-N 0 0 433.360 5.836 50 0 IKAARN COc1cc(-c2nc(C(=O)N(C)C(C)C)cs2)ccc1OCc1ccccc1Cl ZINC000034717316 555867635 /nfs/dbraw/zinc/86/76/35/555867635.db2.gz OMVRQHWAJKMCPQ-UHFFFAOYSA-N 0 0 430.957 5.532 50 0 IKAARN CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c1 ZINC000002960387 555867724 /nfs/dbraw/zinc/86/77/24/555867724.db2.gz QLHJKSJXBZZXCQ-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000034717455 555867931 /nfs/dbraw/zinc/86/79/31/555867931.db2.gz NAYPDNOFKXLSRP-UHFFFAOYSA-N 0 0 433.360 5.836 50 0 IKAARN Cc1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000002962718 555867956 /nfs/dbraw/zinc/86/79/56/555867956.db2.gz WAOYNVGIPVLEHI-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN CC(C)(C)c1cc(-n2c3ccc(Cl)cc3nc2-c2cccnc2)cc(C(C)(C)C)c1O ZINC000002964454 555868196 /nfs/dbraw/zinc/86/81/96/555868196.db2.gz GFCIUQQJLUECCD-UHFFFAOYSA-N 0 0 433.983 7.042 50 0 IKAARN Cc1cccc(OP(=O)(Nc2ccc(Br)cc2)Oc2cccc(C)c2)c1 ZINC000002963463 555868340 /nfs/dbraw/zinc/86/83/40/555868340.db2.gz NGLNOVTYAKGJKT-UHFFFAOYSA-N 0 0 432.254 6.744 50 0 IKAARN O=C(NCCc1ccccc1)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000002965384 555868391 /nfs/dbraw/zinc/86/83/91/555868391.db2.gz CJHPHEFWWQBGPA-UHFFFAOYSA-N 0 0 436.552 5.381 50 0 IKAARN Cc1cc(-c2ccccc2)nc2c(-c3cccc4ccccc43)c(Cc3ccccc3)nn21 ZINC000002965502 555868680 /nfs/dbraw/zinc/86/86/80/555868680.db2.gz IHYITOCXSXQMPG-UHFFFAOYSA-N 0 0 425.535 7.116 50 0 IKAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2C)CCCCC3)cc1 ZINC000002967396 555868741 /nfs/dbraw/zinc/86/87/41/555868741.db2.gz LHUNLNRCZJUJIO-UHFFFAOYSA-N 0 0 448.588 5.768 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000034728785 555869122 /nfs/dbraw/zinc/86/91/22/555869122.db2.gz BSFMXZLMRPXBAV-IBGZPJMESA-N 0 0 445.538 5.040 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1sc2ccccc2c1Cl ZINC000002969531 555869149 /nfs/dbraw/zinc/86/91/49/555869149.db2.gz OVQAWJZTWFYANP-UHFFFAOYSA-N 0 0 441.339 6.713 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000002971493 555869299 /nfs/dbraw/zinc/86/92/99/555869299.db2.gz BZPIKBGOSZBUCF-UHFFFAOYSA-N 0 0 431.311 5.024 50 0 IKAARN COc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000002970592 555869313 /nfs/dbraw/zinc/86/93/13/555869313.db2.gz JZPIXSDMNVAHCV-UHFFFAOYSA-N 0 0 435.829 6.199 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1sc2ccccc2c1Cl ZINC000002970901 555869356 /nfs/dbraw/zinc/86/93/56/555869356.db2.gz BOOXWXWDLBJRKP-UHFFFAOYSA-N 0 0 439.323 7.269 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)oc2cc1C ZINC000002970503 555869386 /nfs/dbraw/zinc/86/93/86/555869386.db2.gz MVCYSXVUZHEGKS-UHFFFAOYSA-N 0 0 432.932 7.232 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4oc5ccccc5c4C)ccc3o2)cc1Cl ZINC000002972888 555869700 /nfs/dbraw/zinc/86/97/00/555869700.db2.gz DBSSWLKOYGIKGM-UHFFFAOYSA-N 0 0 432.863 6.464 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)C(C)(c4ccccc4)c4ccccc4)c3)oc2c1 ZINC000002975351 555869976 /nfs/dbraw/zinc/86/99/76/555869976.db2.gz KEMHMPWFXANUCC-UHFFFAOYSA-N 0 0 446.550 7.056 50 0 IKAARN O=c1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)c(Cl)cc2c2c1CCCC2 ZINC000002976792 555870033 /nfs/dbraw/zinc/87/00/33/555870033.db2.gz PPJIZHSYJQLUAI-UHFFFAOYSA-N 0 0 430.756 5.600 50 0 IKAARN Cc1ccsc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccc(C)cc3)nc2O1 ZINC000002977154 555870073 /nfs/dbraw/zinc/87/00/73/555870073.db2.gz HCPYQQGHNLYQPK-QFIPXVFZSA-N 0 0 432.574 6.012 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1sccc1C)Nc1ccc(Br)cc1-2 ZINC000002978073 555870343 /nfs/dbraw/zinc/87/03/43/555870343.db2.gz CGXPEBBXDOIZTR-MRXNPFEDSA-N 0 0 435.372 5.286 50 0 IKAARN CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=O)NC2=O)cc1 ZINC000002977854 555870376 /nfs/dbraw/zinc/87/03/76/555870376.db2.gz PFSLHIQZLGPIIG-DABDWFRDSA-N 0 0 431.941 5.635 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1Cl ZINC000002978524 555870553 /nfs/dbraw/zinc/87/05/53/555870553.db2.gz YELZITWFQMBZMZ-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2c(Br)cccc12 ZINC000002979576 555871582 /nfs/dbraw/zinc/87/15/82/555871582.db2.gz CTLYNPGFPDOMIQ-UHFFFAOYSA-N 0 0 428.635 6.527 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000002979820 555871820 /nfs/dbraw/zinc/87/18/20/555871820.db2.gz SMKYXQKNHJFWTD-UHFFFAOYSA-N 0 0 431.517 5.193 50 0 IKAARN O=C(Nc1cc(NC(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1)c1ccccc1 ZINC000002981391 555872236 /nfs/dbraw/zinc/87/22/36/555872236.db2.gz PWSNYQHGNZLMSO-UHFFFAOYSA-N 0 0 433.467 5.999 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000002982159 555872520 /nfs/dbraw/zinc/87/25/20/555872520.db2.gz LGYRCSPDBLUOER-UHFFFAOYSA-N 0 0 428.875 6.319 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C ZINC000002982443 555872790 /nfs/dbraw/zinc/87/27/90/555872790.db2.gz JQWLOLDUAYYYJA-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN CCCCOc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)cc1 ZINC000002982299 555872853 /nfs/dbraw/zinc/87/28/53/555872853.db2.gz VSEZHKJLIFCQFX-UHFFFAOYSA-N 0 0 426.321 5.488 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nc2c1 ZINC000002982676 555873091 /nfs/dbraw/zinc/87/30/91/555873091.db2.gz GOMOLIWINMCAGE-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1-c1cc2ccccc2oc1=O ZINC000002982726 555873138 /nfs/dbraw/zinc/87/31/38/555873138.db2.gz QSXUFKUEPWMZSW-UHFFFAOYSA-N 0 0 448.931 5.549 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2ccccc2F)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000002982851 555873174 /nfs/dbraw/zinc/87/31/74/555873174.db2.gz BHVSKTLGKBYLKE-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 ZINC000002983062 555873422 /nfs/dbraw/zinc/87/34/22/555873422.db2.gz QTSJDGMFJLQWNM-UHFFFAOYSA-N 0 0 433.508 5.632 50 0 IKAARN Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\N=C(c3ccccc3)OC2=O)c1 ZINC000002983947 555873431 /nfs/dbraw/zinc/87/34/31/555873431.db2.gz KFNYCOLGSMCDCZ-JWGURIENSA-N 0 0 433.891 5.451 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)N2CCCC2)C1 ZINC000002983930 555873441 /nfs/dbraw/zinc/87/34/41/555873441.db2.gz PNCVNXXMKQGJIV-OAHLLOKOSA-N 0 0 445.028 6.041 50 0 IKAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000002985372 555873807 /nfs/dbraw/zinc/87/38/07/555873807.db2.gz BISXSRHXIWKSIP-UHFFFAOYSA-N 0 0 431.970 5.378 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)c1 ZINC000002984965 555873810 /nfs/dbraw/zinc/87/38/10/555873810.db2.gz SCUZUZGYYLHBES-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 ZINC000002985459 555874025 /nfs/dbraw/zinc/87/40/25/555874025.db2.gz XOQONWRYWUPLIS-UHFFFAOYSA-N 0 0 445.544 5.719 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1 ZINC000002985756 555874034 /nfs/dbraw/zinc/87/40/34/555874034.db2.gz XGMQDFVETXVFRF-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000002986551 555874353 /nfs/dbraw/zinc/87/43/53/555874353.db2.gz WOLARNTVUKLHKT-CIAFOILYSA-N 0 0 442.273 6.056 50 0 IKAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C(=O)OC)CC[C@H](C(C)(C)C)C2 ZINC000002991095 555874911 /nfs/dbraw/zinc/87/49/11/555874911.db2.gz NFOXADPQQHCULZ-AWEZNQCLSA-N 0 0 442.581 5.287 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1 ZINC000002991184 555875227 /nfs/dbraw/zinc/87/52/27/555875227.db2.gz LWCARAYYEGTEAL-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000002993034 555875539 /nfs/dbraw/zinc/87/55/39/555875539.db2.gz HFXZBOBCHVPSOR-UHFFFAOYSA-N 0 0 427.504 5.719 50 0 IKAARN COc1ccc(/C=C(/NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)Nc2ccccc2)cc1 ZINC000002995044 555876013 /nfs/dbraw/zinc/87/60/13/555876013.db2.gz APYLFHORYBXBKZ-HKOYGPOVSA-N 0 0 428.532 5.402 50 0 IKAARN O=C(Nc1ccc(I)cc1Cl)c1sc2ccccc2c1Cl ZINC000002995445 555876027 /nfs/dbraw/zinc/87/60/27/555876027.db2.gz WPWRZZLDSHPFCJ-UHFFFAOYSA-N 0 0 448.112 6.065 50 0 IKAARN COc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002994933 555876056 /nfs/dbraw/zinc/87/60/56/555876056.db2.gz DIKWENWLHOSYSG-PWGZALKNSA-N 0 0 445.902 5.937 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)/C=C/c2cccc3ccccc23)c1C(N)=O ZINC000002996440 555876313 /nfs/dbraw/zinc/87/63/13/555876313.db2.gz RNESHKDTTSYYKX-CCEZHUSRSA-N 0 0 426.541 5.551 50 0 IKAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000002996268 555876318 /nfs/dbraw/zinc/87/63/18/555876318.db2.gz AGBABODSDRUNKM-UHFFFAOYSA-N 0 0 428.282 5.528 50 0 IKAARN Cc1cc(C)c2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nc[nH]n1 ZINC000002997092 555876346 /nfs/dbraw/zinc/87/63/46/555876346.db2.gz MZJRQZDPPGCFHY-UHFFFAOYSA-N 0 0 434.637 5.315 50 0 IKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc4ccccc43)n2)cc1OC ZINC000002997436 555876355 /nfs/dbraw/zinc/87/63/55/555876355.db2.gz QJMGVLPJPYTFDO-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Br)c3ccccc23)c1 ZINC000002996570 555876363 /nfs/dbraw/zinc/87/63/63/555876363.db2.gz RCXPDWOLUQXWOF-UHFFFAOYSA-N 0 0 443.366 5.516 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002998109 555876596 /nfs/dbraw/zinc/87/65/96/555876596.db2.gz ROGSCQIUFOMRGE-UHFFFAOYSA-N 0 0 444.712 5.594 50 0 IKAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000002997680 555876691 /nfs/dbraw/zinc/87/66/91/555876691.db2.gz FZKCGFUZYXIZCM-UHFFFAOYSA-N 0 0 440.373 6.196 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000003001320 555877829 /nfs/dbraw/zinc/87/78/29/555877829.db2.gz ROHSPMZVXKSPBC-YRYLYKBFSA-N 0 0 441.354 5.257 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1CCCOc1ccccc1F ZINC000003000935 555877860 /nfs/dbraw/zinc/87/78/60/555877860.db2.gz NJHHMKPSVCSLQD-UHFFFAOYSA-N 0 0 443.305 5.979 50 0 IKAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3cccc(C)c3)cc2)C1=O ZINC000034734496 555879344 /nfs/dbraw/zinc/87/93/44/555879344.db2.gz IEUHISPLYCXZER-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3cccc(Cl)c3F)C2=O)cc1)C1CCCC1 ZINC000034734592 555879685 /nfs/dbraw/zinc/87/96/85/555879685.db2.gz SEAQFWWMECAZKG-UHFFFAOYSA-N 0 0 429.923 5.440 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012844 555879941 /nfs/dbraw/zinc/87/99/41/555879941.db2.gz JYGHPBDHKZMLTL-ZFWWWQNUSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012875 555879957 /nfs/dbraw/zinc/87/99/57/555879957.db2.gz LCFBKBPNDGPVOP-ZFWWWQNUSA-N 0 0 444.335 5.408 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000034734649 555880310 /nfs/dbraw/zinc/88/03/10/555880310.db2.gz DHHKAZSUHDLDII-UHFFFAOYSA-N 0 0 427.548 5.895 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4cccc(F)c4)cc3)C2=O)cc1 ZINC000034734659 555880348 /nfs/dbraw/zinc/88/03/48/555880348.db2.gz OAWOCFGHWZUWNO-UHFFFAOYSA-N 0 0 445.538 6.034 50 0 IKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000003016858 555880945 /nfs/dbraw/zinc/88/09/45/555880945.db2.gz MBXOZMBWABXYTI-JLPGSUDCSA-N 0 0 439.898 6.417 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1N1CCCN(Cc2cccc(F)c2)C1=O)c1ccccc1 ZINC000034734978 555881139 /nfs/dbraw/zinc/88/11/39/555881139.db2.gz UXGHEKMWVJNJCV-QHCPKHFHSA-N 0 0 445.538 5.790 50 0 IKAARN O=C(Cc1ccccc1)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003018966 555881206 /nfs/dbraw/zinc/88/12/06/555881206.db2.gz IGPJFBJOAHFODE-OAHLLOKOSA-N 0 0 427.542 5.427 50 0 IKAARN Cc1ccccc1C(=O)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003019116 555881467 /nfs/dbraw/zinc/88/14/67/555881467.db2.gz YYVBKTJGOKVSOE-HNNXBMFYSA-N 0 0 427.542 5.807 50 0 IKAARN CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000003024367 555881764 /nfs/dbraw/zinc/88/17/64/555881764.db2.gz CTGZSXAVSAOWGC-MRXNPFEDSA-N 0 0 445.357 5.010 50 0 IKAARN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(Cl)c1OC(C)C ZINC000010545576 555882681 /nfs/dbraw/zinc/88/26/81/555882681.db2.gz FXYXYOFSYMCYBQ-OAHLLOKOSA-N 0 0 427.932 5.032 50 0 IKAARN O=S(=O)(c1ccc(Cl)s1)N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000003045789 555882688 /nfs/dbraw/zinc/88/26/88/555882688.db2.gz AJBWBDMRSGNTND-UHFFFAOYSA-N 0 0 432.010 5.634 50 0 IKAARN COc1ccc(NC(=O)c2cccc(C)c2)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739794 555882703 /nfs/dbraw/zinc/88/27/03/555882703.db2.gz ANMVKSCCYPHJHF-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN COc1ccccc1NC(=S)Oc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000003079488 555884759 /nfs/dbraw/zinc/88/47/59/555884759.db2.gz AKSMZDZFVSIEFZ-UHFFFAOYSA-N 0 0 428.513 5.877 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1)c1ccccc1 ZINC000034735286 555885157 /nfs/dbraw/zinc/88/51/57/555885157.db2.gz AYWRYIWDIHXSRB-XMMPIXPASA-N 0 0 445.538 5.790 50 0 IKAARN CCCCCC(=O)N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000003092405 555885504 /nfs/dbraw/zinc/88/55/04/555885504.db2.gz KUZKGJDZLPDFAX-CYBMUJFWSA-N 0 0 440.120 6.164 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000003091075 555885538 /nfs/dbraw/zinc/88/55/38/555885538.db2.gz HXEICBZHIJDYJZ-UHFFFAOYSA-N 0 0 449.373 6.800 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000034735711 555885769 /nfs/dbraw/zinc/88/57/69/555885769.db2.gz IWPOGZHGWAEJBT-UHFFFAOYSA-N 0 0 449.501 5.287 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2)c1 ZINC000034735915 555886049 /nfs/dbraw/zinc/88/60/49/555886049.db2.gz UUOVXAAQACWNBV-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)OCc2ccccc2)c1 ZINC000034735799 555886055 /nfs/dbraw/zinc/88/60/55/555886055.db2.gz URPRWQXJSKHWER-UHFFFAOYSA-N 0 0 429.520 5.576 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)ccc2N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000034736017 555886444 /nfs/dbraw/zinc/88/64/44/555886444.db2.gz BBDFPRNJILNRNO-UHFFFAOYSA-N 0 0 447.510 5.227 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c(NC(=O)c2cccs2)c1 ZINC000034736161 555886750 /nfs/dbraw/zinc/88/67/50/555886750.db2.gz KKCDHKPOICQROJ-UHFFFAOYSA-N 0 0 441.503 5.419 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cc(C)ccc4C)C3=O)cc2)c1 ZINC000034736777 555887320 /nfs/dbraw/zinc/88/73/20/555887320.db2.gz CLOQPNQCIWIISD-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c(C)c1 ZINC000034736801 555887444 /nfs/dbraw/zinc/88/74/44/555887444.db2.gz GBPCMOYJSOZBTD-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)OCc4ccccc4)c3)C2=O)c1 ZINC000034736875 555887450 /nfs/dbraw/zinc/88/74/50/555887450.db2.gz FJGFJFBPBBVRQW-UHFFFAOYSA-N 0 0 443.547 5.884 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1C ZINC000034736887 555887612 /nfs/dbraw/zinc/88/76/12/555887612.db2.gz HQIBXCJUPFNUDY-UHFFFAOYSA-N 0 0 445.538 5.456 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034736926 555887652 /nfs/dbraw/zinc/88/76/52/555887652.db2.gz GVEJIIQXUANKBW-UHFFFAOYSA-N 0 0 427.976 5.855 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccccc3C)cc2)cc1 ZINC000003105994 555887663 /nfs/dbraw/zinc/88/76/63/555887663.db2.gz GSEBRWXUDUOPPB-UHFFFAOYSA-N 0 0 434.539 6.399 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccs1 ZINC000003104971 555887697 /nfs/dbraw/zinc/88/76/97/555887697.db2.gz KTIFVQRLTNSLEJ-UHFFFAOYSA-N 0 0 440.933 5.302 50 0 IKAARN Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1 ZINC000003105031 555887714 /nfs/dbraw/zinc/88/77/14/555887714.db2.gz OLHDRAYPSCQHFK-UHFFFAOYSA-N 0 0 433.327 5.003 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c(NC(=O)c2cccs2)c1 ZINC000034736990 555887976 /nfs/dbraw/zinc/88/79/76/555887976.db2.gz PNTHTLWYNBPQBV-UHFFFAOYSA-N 0 0 433.577 5.758 50 0 IKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2 ZINC000003107858 555888018 /nfs/dbraw/zinc/88/80/18/555888018.db2.gz FQDCNCJOURUKNF-ZFWWWQNUSA-N 0 0 442.993 5.829 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1 ZINC000034737035 555888027 /nfs/dbraw/zinc/88/80/27/555888027.db2.gz JUWOWSDBKZXYEH-UHFFFAOYSA-N 0 0 430.508 5.172 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)NCc4ccccc4)c3)C2=O)cc1 ZINC000034737189 555888210 /nfs/dbraw/zinc/88/82/10/555888210.db2.gz AYVNVLVYUMGIFH-UHFFFAOYSA-N 0 0 428.536 5.149 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(N3CCCN(Cc4cccc(Cl)c4)C3=O)c2)cc1 ZINC000034737191 555888237 /nfs/dbraw/zinc/88/82/37/555888237.db2.gz BUSTYWKOSJHDBU-UHFFFAOYSA-N 0 0 448.954 6.125 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000034737235 555888267 /nfs/dbraw/zinc/88/82/67/555888267.db2.gz QTVFGALNHAYWNI-UHFFFAOYSA-N 0 0 442.563 6.286 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1C ZINC000034737490 555888545 /nfs/dbraw/zinc/88/85/45/555888545.db2.gz KWXVKLKODYKARQ-UHFFFAOYSA-N 0 0 428.536 5.780 50 0 IKAARN COc1ccc(C(=O)N[C@H](Sc2nc3ccccc3o2)C(Cl)(Cl)Cl)cc1 ZINC000003121954 555889072 /nfs/dbraw/zinc/88/90/72/555889072.db2.gz PIAHQZUGLWTIEC-OAHLLOKOSA-N 0 0 431.728 5.055 50 0 IKAARN Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000003126918 555889667 /nfs/dbraw/zinc/88/96/67/555889667.db2.gz LAJZMVOLINRJJB-UHFFFAOYSA-N 0 0 448.035 7.486 50 0 IKAARN CC(C)n1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n(Cc2ccccc2)c1=O ZINC000003125876 555889675 /nfs/dbraw/zinc/88/96/75/555889675.db2.gz MIXCJAVHIFFXNK-UHFFFAOYSA-N 0 0 437.952 5.083 50 0 IKAARN O=C(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1cccc(C(F)(F)F)c1 ZINC000003125979 555889687 /nfs/dbraw/zinc/88/96/87/555889687.db2.gz BXQLHRVMKVGDQI-UHFFFAOYSA-N 0 0 443.277 6.811 50 0 IKAARN O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)c1cccc(C(F)(F)F)c1 ZINC000003126027 555889692 /nfs/dbraw/zinc/88/96/92/555889692.db2.gz IKPGTGGILOUMCM-UHFFFAOYSA-N 0 0 433.333 5.144 50 0 IKAARN CC(=O)Oc1ccccc1/C(=C/C=C(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000003126718 555889699 /nfs/dbraw/zinc/88/96/99/555889699.db2.gz JYWONHWIYFHFGV-PKAZHMFMSA-N 0 0 425.528 5.417 50 0 IKAARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000003127853 555889990 /nfs/dbraw/zinc/88/99/90/555889990.db2.gz TYOQUHHAICNGLI-CTNGQTDRSA-N 0 0 442.346 5.553 50 0 IKAARN Nc1ccccc1S[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000003135227 555890851 /nfs/dbraw/zinc/89/08/51/555890851.db2.gz PFFDXDRTYZNTEP-LJQANCHMSA-N 0 0 437.779 6.701 50 0 IKAARN FC(F)(F)c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000003139069 555891466 /nfs/dbraw/zinc/89/14/66/555891466.db2.gz KLMZYLRNPKEXNX-UHFFFAOYSA-N 0 0 433.204 6.840 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)cc1 ZINC000003140313 555891474 /nfs/dbraw/zinc/89/14/74/555891474.db2.gz WEMBNIQMJCSRQM-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN Cc1ccc2oc(-c3ccc(/C=C/c4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1 ZINC000003146887 555892012 /nfs/dbraw/zinc/89/20/12/555892012.db2.gz SOTPOQQKAUOHRO-BQYQJAHWSA-N 0 0 428.491 7.782 50 0 IKAARN COc1ccccc1OP(=O)(Nc1cccc(Cl)c1C)Oc1ccccc1OC ZINC000003150610 555892235 /nfs/dbraw/zinc/89/22/35/555892235.db2.gz DECJDGHLBDKVQE-UHFFFAOYSA-N 0 0 433.828 6.344 50 0 IKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc(Br)cc1 ZINC000003150069 555892428 /nfs/dbraw/zinc/89/24/28/555892428.db2.gz CDQGQJZFYLJDFC-UHFFFAOYSA-N 0 0 439.907 5.863 50 0 IKAARN O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003170796 555893869 /nfs/dbraw/zinc/89/38/69/555893869.db2.gz OIYZNMRWWHYSAJ-UHFFFAOYSA-N 0 0 439.160 5.799 50 0 IKAARN O=C(CSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000003178045 555894479 /nfs/dbraw/zinc/89/44/79/555894479.db2.gz WTEUKHLEWRXAOL-UHFFFAOYSA-N 0 0 440.524 6.050 50 0 IKAARN COc1cc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1 ZINC000034782236 555894525 /nfs/dbraw/zinc/89/45/25/555894525.db2.gz KAJILHDLEWEWEV-XMMPIXPASA-N 0 0 433.552 5.440 50 0 IKAARN COc1cc2c(cc1NC(=O)c1c(C)onc1-c1ccccc1Cl)oc1ccccc12 ZINC000003182975 555895186 /nfs/dbraw/zinc/89/51/86/555895186.db2.gz MMOUNAWXWGSKHX-UHFFFAOYSA-N 0 0 432.863 6.464 50 0 IKAARN C[C@H](NC(=O)Nc1c(N)n(-c2ccc(Cl)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000034785086 555896013 /nfs/dbraw/zinc/89/60/13/555896013.db2.gz LKOOHIFNLBEVJY-INIZCTEOSA-N 0 0 431.927 5.658 50 0 IKAARN Nc1c(NC(=O)NC2CCCC2)c(-c2ccc(Cl)cc2)nn1-c1cc(F)ccc1F ZINC000034785831 555896183 /nfs/dbraw/zinc/89/61/83/555896183.db2.gz CDFZECXKXPGJGT-UHFFFAOYSA-N 0 0 431.874 5.117 50 0 IKAARN CC1CCN(C(=O)Nc2c(N)n(-c3ccc(F)cc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000034785604 555896239 /nfs/dbraw/zinc/89/62/39/555896239.db2.gz YSCKHEKFFMXAAY-UHFFFAOYSA-N 0 0 427.911 5.178 50 0 IKAARN C[C@@H](NC(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000034785575 555896251 /nfs/dbraw/zinc/89/62/51/555896251.db2.gz XJVNVJPDMKPRFL-OAHLLOKOSA-N 0 0 449.917 5.797 50 0 IKAARN C[C@@H](NC(=O)Nc1c(N)n(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000034785448 555896273 /nfs/dbraw/zinc/89/62/73/555896273.db2.gz INEZRGQFXMTHJT-QGZVFWFLSA-N 0 0 445.954 5.717 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccccc4)cs3)sc2c1Cl ZINC000003208969 555898659 /nfs/dbraw/zinc/89/86/59/555898659.db2.gz SKXGXJIZCIOHIB-UHFFFAOYSA-N 0 0 435.357 6.593 50 0 IKAARN COc1cccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccc(C)cc2)CC3)c1 ZINC000034755562 555900432 /nfs/dbraw/zinc/90/04/32/555900432.db2.gz IJRSUVUVQMMZIA-UHFFFAOYSA-N 0 0 444.579 5.135 50 0 IKAARN Fc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccc(F)cc4)c3C2)cc1 ZINC000034755490 555900518 /nfs/dbraw/zinc/90/05/18/555900518.db2.gz WVRWQHVWWDIZES-UHFFFAOYSA-N 0 0 436.506 5.096 50 0 IKAARN O=C(Nc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1)c1cccs1 ZINC000003243336 555907919 /nfs/dbraw/zinc/90/79/19/555907919.db2.gz NFCWCRNWWWKVHB-UHFFFAOYSA-N 0 0 441.487 6.542 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Nc3cccc(F)c3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034814400 555910981 /nfs/dbraw/zinc/91/09/81/555910981.db2.gz GDNPRLYIQIFIBW-GOSISDBHSA-N 0 0 444.510 5.556 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Nc3cccc(F)c3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034814401 555911012 /nfs/dbraw/zinc/91/10/12/555911012.db2.gz GDNPRLYIQIFIBW-SFHVURJKSA-N 0 0 444.510 5.556 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Nc3ccccc3F)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034814399 555911036 /nfs/dbraw/zinc/91/10/36/555911036.db2.gz GTQMSTAGWYHJJW-SFHVURJKSA-N 0 0 444.510 5.556 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Nc3ccc(F)cc3)CC1)=Nc1ccccc1O2 ZINC000034814376 555911056 /nfs/dbraw/zinc/91/10/56/555911056.db2.gz KHKKQOIMGWCJEZ-UHFFFAOYSA-N 0 0 430.483 5.168 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3ccc(C)cc3C)n(-c3ccccc3)c(=O)c2c1C ZINC000003267223 555911282 /nfs/dbraw/zinc/91/12/82/555911282.db2.gz VFNRNLZWDZWWBS-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831672 555912625 /nfs/dbraw/zinc/91/26/25/555912625.db2.gz KQAIJWDRCCXAAM-OAQYLSRUSA-N 0 0 446.554 5.814 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034832882 555912935 /nfs/dbraw/zinc/91/29/35/555912935.db2.gz NQIXZYPSIOZOCX-LJQANCHMSA-N 0 0 448.526 5.563 50 0 IKAARN COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)nc3cc(-c4ccccc4)nn32)c1 ZINC000034832813 555912954 /nfs/dbraw/zinc/91/29/54/555912954.db2.gz UTFQGZDRLWRSEU-LJQANCHMSA-N 0 0 448.526 5.563 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834330 555913805 /nfs/dbraw/zinc/91/38/05/555913805.db2.gz UWXAZVFBIYWUBE-UHFFFAOYSA-N 0 0 448.954 5.645 50 0 IKAARN O=C(c1cn2c(n1)CC[C@@H](c1ccccc1)C2)N(CCc1ccccc1)Cc1ccccc1 ZINC000034839970 555914788 /nfs/dbraw/zinc/91/47/88/555914788.db2.gz WPJHSWDBSWTVIJ-AREMUKBSSA-N 0 0 435.571 5.498 50 0 IKAARN CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034793901 555917167 /nfs/dbraw/zinc/91/71/67/555917167.db2.gz JMYONGPQGYPJRX-UHFFFAOYSA-N 0 0 433.430 5.318 50 0 IKAARN Cc1ccc(C)c(NC(=S)NCC(C)(C)CNC(=S)Nc2cc(C)ccc2C)c1 ZINC000003305417 555917439 /nfs/dbraw/zinc/91/74/39/555917439.db2.gz LINJPUOCOARFAH-UHFFFAOYSA-N 0 0 428.671 5.219 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)c2ccc(C)cc2)o1 ZINC000034795712 555917752 /nfs/dbraw/zinc/91/77/52/555917752.db2.gz KIIAALIJZWKGJT-UHFFFAOYSA-N 0 0 444.575 5.020 50 0 IKAARN CC(C)c1ccc(NC(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c2C2CC2)cc1 ZINC000034796663 555918017 /nfs/dbraw/zinc/91/80/17/555918017.db2.gz MLZOBWWXOVSNOM-UHFFFAOYSA-N 0 0 428.458 6.740 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000034796986 555918309 /nfs/dbraw/zinc/91/83/09/555918309.db2.gz KIWFFFVYOWBFOR-AREMUKBSSA-N 0 0 436.621 6.327 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000034796993 555918328 /nfs/dbraw/zinc/91/83/28/555918328.db2.gz OHVDHKYVSUEHOQ-MHZLTWQESA-N 0 0 444.600 5.989 50 0 IKAARN CCOc1cc2nc(SC)n(C(=O)c3ccc(Br)cc3)c2cc1OCC ZINC000034903873 555919019 /nfs/dbraw/zinc/91/90/19/555919019.db2.gz HLKPRNBTXKDFPV-UHFFFAOYSA-N 0 0 435.343 5.007 50 0 IKAARN Cc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccc(C(C)(C)C)cc4)nc3c2)c1 ZINC000034907838 555921006 /nfs/dbraw/zinc/92/10/06/555921006.db2.gz DJQQQFGINZDOCB-VWLOTQADSA-N 0 0 438.571 7.078 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907694 555921032 /nfs/dbraw/zinc/92/10/32/555921032.db2.gz KOCGUOPNAVLYRY-NRFANRHFSA-N 0 0 436.433 6.491 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907676 555921050 /nfs/dbraw/zinc/92/10/50/555921050.db2.gz DIRZPGKZVHNAAE-QFIPXVFZSA-N 0 0 432.907 5.891 50 0 IKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000034907227 555921095 /nfs/dbraw/zinc/92/10/95/555921095.db2.gz DRZSXVCEKJRXIZ-UHFFFAOYSA-N 0 0 446.382 5.715 50 0 IKAARN O=C(CSc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907785 555921101 /nfs/dbraw/zinc/92/11/01/555921101.db2.gz AEFNGBPVKZDLBS-QFIPXVFZSA-N 0 0 432.520 6.090 50 0 IKAARN COc1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4cccc(OC)c4)nc3c2)cc1 ZINC000034907922 555921282 /nfs/dbraw/zinc/92/12/82/555921282.db2.gz HUTDVYIIQHFORZ-QHCPKHFHSA-N 0 0 428.488 5.489 50 0 IKAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908111 555921288 /nfs/dbraw/zinc/92/12/88/555921288.db2.gz FNISANJYECYQNZ-QHCPKHFHSA-N 0 0 432.470 6.069 50 0 IKAARN COc1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)CCc4ccccc4)nc3c2)cc1 ZINC000034907908 555921299 /nfs/dbraw/zinc/92/12/99/555921299.db2.gz FTDLKJQAYMMBJZ-DEOSSOPVSA-N 0 0 426.516 5.800 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4cccc(OC)c4)ccc3o2)c1 ZINC000034907978 555921313 /nfs/dbraw/zinc/92/13/13/555921313.db2.gz BINYDLXXAJLBDI-QHCPKHFHSA-N 0 0 428.488 5.489 50 0 IKAARN O=C(c1ccccc1Cl)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034907998 555921378 /nfs/dbraw/zinc/92/13/78/555921378.db2.gz MXCCVWWJAIDTRO-OAQYLSRUSA-N 0 0 438.861 6.404 50 0 IKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)COc4ccccc4)nc3c2)ccc1F ZINC000034908067 555921390 /nfs/dbraw/zinc/92/13/90/555921390.db2.gz MCOQFMJNDSOFSD-HSZRJFAPSA-N 0 0 430.479 5.685 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccc(Cl)cc4)nc3c2)cc1 ZINC000034908283 555921485 /nfs/dbraw/zinc/92/14/85/555921485.db2.gz STKJZFBPUXJYBZ-HSZRJFAPSA-N 0 0 445.950 6.192 50 0 IKAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908174 555921543 /nfs/dbraw/zinc/92/15/43/555921543.db2.gz CKNJFBIXUZFCQH-HSZRJFAPSA-N 0 0 430.479 5.549 50 0 IKAARN O=C(c1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000034908198 555921584 /nfs/dbraw/zinc/92/15/84/555921584.db2.gz FOSGASAGOCXVIC-GOSISDBHSA-N 0 0 442.462 6.552 50 0 IKAARN O=C(CSc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908184 555921590 /nfs/dbraw/zinc/92/15/90/555921590.db2.gz PIJGMKDMVDOQAJ-JOCHJYFZSA-N 0 0 432.520 6.090 50 0 IKAARN O=C(c1ccco1)N1CCC[C@@H]1c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000034908200 555921601 /nfs/dbraw/zinc/92/16/01/555921601.db2.gz TXFDLTDQRIHINJ-GOSISDBHSA-N 0 0 426.394 6.084 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908499 555921930 /nfs/dbraw/zinc/92/19/30/555921930.db2.gz GUCJOTKTKDTUEA-QFIPXVFZSA-N 0 0 445.494 6.402 50 0 IKAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908663 555922089 /nfs/dbraw/zinc/92/20/89/555922089.db2.gz JFDNVDCRFAUIQD-NRFANRHFSA-N 0 0 437.421 6.281 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)c(C)c4)ccc3o2)cc1 ZINC000034908689 555922093 /nfs/dbraw/zinc/92/20/93/555922093.db2.gz FNBJUOZVSBUPJL-QHCPKHFHSA-N 0 0 429.495 6.620 50 0 IKAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034908588 555922101 /nfs/dbraw/zinc/92/21/01/555922101.db2.gz SDWNHCSLUKBNFM-QFIPXVFZSA-N 0 0 427.504 6.181 50 0 IKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)Nc4cccc(F)c4)nc3c2)ccc1F ZINC000034908692 555922121 /nfs/dbraw/zinc/92/21/21/555922121.db2.gz KSNXZQHWQCHCNI-QFIPXVFZSA-N 0 0 433.458 6.450 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)c(C)c4)ccc3o2)cc1 ZINC000034908688 555922171 /nfs/dbraw/zinc/92/21/71/555922171.db2.gz FNBJUOZVSBUPJL-HSZRJFAPSA-N 0 0 429.495 6.620 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908799 555922373 /nfs/dbraw/zinc/92/23/73/555922373.db2.gz QTXHOTQDPLYNIZ-DEOSSOPVSA-N 0 0 443.522 7.126 50 0 IKAARN O=C(Nc1ccccc1F)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908724 555922471 /nfs/dbraw/zinc/92/24/71/555922471.db2.gz CKWAZSNAFBBJBB-OAQYLSRUSA-N 0 0 437.421 6.281 50 0 IKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000034909043 555922655 /nfs/dbraw/zinc/92/26/55/555922655.db2.gz CUMHNIIXPBMQJM-QFIPXVFZSA-N 0 0 436.508 5.468 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908862 555922665 /nfs/dbraw/zinc/92/26/65/555922665.db2.gz KOMSTVDJGHQFLK-XMMPIXPASA-N 0 0 440.547 6.238 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908819 555922672 /nfs/dbraw/zinc/92/26/72/555922672.db2.gz PAWMUZDTECRICU-QFIPXVFZSA-N 0 0 445.494 6.402 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)NCc4ccccc4)nc3c2)cc1 ZINC000034908849 555922682 /nfs/dbraw/zinc/92/26/82/555922682.db2.gz IUBMHTMUEVSAEU-XMMPIXPASA-N 0 0 440.547 5.608 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1C ZINC000034908810 555922687 /nfs/dbraw/zinc/92/26/87/555922687.db2.gz ZTUVKZWCSCFMOW-HSZRJFAPSA-N 0 0 429.495 6.620 50 0 IKAARN Cc1ccc(-n2nc(C(=O)NCCc3ccc(Cl)cc3Cl)nc2-c2ccco2)cc1 ZINC000034911378 555923606 /nfs/dbraw/zinc/92/36/06/555923606.db2.gz VFBZRAZBPNDLNY-UHFFFAOYSA-N 0 0 441.318 5.115 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000034864202 555925413 /nfs/dbraw/zinc/92/54/13/555925413.db2.gz OQMVRPMMXDBMJB-HZHRSRAPSA-N 0 0 427.500 5.626 50 0 IKAARN Cc1oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000003368442 555927535 /nfs/dbraw/zinc/92/75/35/555927535.db2.gz CATXRCVBLOAVDW-UHFFFAOYSA-N 0 0 439.464 5.038 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1ccc(F)cc1)C2 ZINC000034898459 555927825 /nfs/dbraw/zinc/92/78/25/555927825.db2.gz OCWRMHKCFZQGLR-ILBGXUMGSA-N 0 0 439.534 5.466 50 0 IKAARN CC(C)(C)NC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899084 555928584 /nfs/dbraw/zinc/92/85/84/555928584.db2.gz CQXSBJYFMZCYOS-NSHDSACASA-N 0 0 433.396 5.179 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N[C@H](C)C(C)(C)C)cc2)n1 ZINC000034899307 555928934 /nfs/dbraw/zinc/92/89/34/555928934.db2.gz SFPOBNYOAISCMJ-GOSISDBHSA-N 0 0 447.579 5.443 50 0 IKAARN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1)c1ccc(Br)cc1 ZINC000034915667 555930347 /nfs/dbraw/zinc/93/03/47/555930347.db2.gz APDNBEGHKMAHFI-MRXNPFEDSA-N 0 0 446.348 5.997 50 0 IKAARN CCCCCCC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)CC)cc1 ZINC000034921466 555931803 /nfs/dbraw/zinc/93/18/03/555931803.db2.gz QEWPTCMCKQHBQB-UHFFFAOYSA-N 0 0 435.561 5.053 50 0 IKAARN COc1ccc(NC(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccco2)cc1 ZINC000034922392 555932703 /nfs/dbraw/zinc/93/27/03/555932703.db2.gz GFRIMHGXFMKTDY-UHFFFAOYSA-N 0 0 433.464 5.186 50 0 IKAARN Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)NCCc2cccs2)cc1 ZINC000034922117 555932712 /nfs/dbraw/zinc/93/27/12/555932712.db2.gz VWUXPFRTKDBCMZ-UHFFFAOYSA-N 0 0 428.561 5.254 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000034927408 555933306 /nfs/dbraw/zinc/93/33/06/555933306.db2.gz RLDFRUNJEIYRFC-UHFFFAOYSA-N 0 0 436.364 5.097 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)nc3ccc(C)cn32)cc1 ZINC000034912788 555934473 /nfs/dbraw/zinc/93/44/73/555934473.db2.gz OLDFMTTXYPIDQW-UHFFFAOYSA-N 0 0 429.520 5.750 50 0 IKAARN Clc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000003462033 555935585 /nfs/dbraw/zinc/93/55/85/555935585.db2.gz SEBWSZSWGYKXQU-NRFANRHFSA-N 0 0 432.936 5.987 50 0 IKAARN Cc1ccc(C)c(Cc2c(C)nc3nc(SCc4c(F)cccc4Cl)nn3c2C)c1 ZINC000003638162 555942790 /nfs/dbraw/zinc/94/27/90/555942790.db2.gz LWLDITDWDYACFD-UHFFFAOYSA-N 0 0 440.975 6.034 50 0 IKAARN CCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000003640712 555943080 /nfs/dbraw/zinc/94/30/80/555943080.db2.gz QSIFUYCUIAFDLQ-QHCPKHFHSA-N 0 0 442.544 5.733 50 0 IKAARN Cc1ccc(C)c([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000003640811 555943335 /nfs/dbraw/zinc/94/33/35/555943335.db2.gz IMKAGEHTFPEHHD-HSZRJFAPSA-N 0 0 426.545 5.951 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccccc1-2 ZINC000003645305 555943663 /nfs/dbraw/zinc/94/36/63/555943663.db2.gz MOLIXAXYBLBVGG-YVNCXZRQSA-N 0 0 448.935 5.921 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000003653259 555943907 /nfs/dbraw/zinc/94/39/07/555943907.db2.gz LAQPABPFWRLVQM-HSZRJFAPSA-N 0 0 434.565 5.573 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000003663411 555944772 /nfs/dbraw/zinc/94/47/72/555944772.db2.gz BABSXOZWZDYFFU-HAVVHWLPSA-N 0 0 425.484 5.548 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1c1ccc2ccccc2c1 ZINC000003663899 555944827 /nfs/dbraw/zinc/94/48/27/555944827.db2.gz SWRZAFUFPIBUEP-HSZRJFAPSA-N 0 0 429.317 6.373 50 0 IKAARN CCCCOc1ccc([C@@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000003668663 555945476 /nfs/dbraw/zinc/94/54/76/555945476.db2.gz QCHPYXPGHNQSIV-VWLOTQADSA-N 0 0 434.486 6.228 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000003765491 555945947 /nfs/dbraw/zinc/94/59/47/555945947.db2.gz DFTWORVGCQVMNX-JOCHJYFZSA-N 0 0 444.749 6.575 50 0 IKAARN COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000003876460 555950223 /nfs/dbraw/zinc/95/02/23/555950223.db2.gz MLALGXASONXJIF-KGENOOAVSA-N 0 0 448.320 5.262 50 0 IKAARN Nc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc(Oc2ccccc2)c1 ZINC000003879118 555950481 /nfs/dbraw/zinc/95/04/81/555950481.db2.gz CFCONDZHENVSFY-UHFFFAOYSA-N 0 0 446.510 6.166 50 0 IKAARN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003964578 555951900 /nfs/dbraw/zinc/95/19/00/555951900.db2.gz PSZDOEIIIJFCFE-OSQDELBUSA-N 0 0 442.728 7.141 50 0 endogenous,in-man IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109799 555963363 /nfs/dbraw/zinc/96/33/63/555963363.db2.gz NKJWAGQUEBSWGC-UHFFFAOYSA-N 0 0 433.257 5.630 50 0 IKAARN O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CCCC2 ZINC000004150887 555968729 /nfs/dbraw/zinc/96/87/29/555968729.db2.gz NLROFBIPUKNKJV-UHFFFAOYSA-N 0 0 440.568 6.214 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 ZINC000004163403 555970585 /nfs/dbraw/zinc/97/05/85/555970585.db2.gz DKNPZRUGYWSHSX-VOBQZIQPSA-N 0 0 444.457 5.157 50 0 IKAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000004201894 555976046 /nfs/dbraw/zinc/97/60/46/555976046.db2.gz AYPMXCIGTQUCFB-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN COC(=O)c1c(C)n(CCc2ccc(OC)c(OC)c2)c(C=O)c1-c1ccc(C(C)C)cc1 ZINC000004237704 555978454 /nfs/dbraw/zinc/97/84/54/555978454.db2.gz UILUTNZSUNQAFD-UHFFFAOYSA-N 0 0 449.547 5.446 50 0 IKAARN CCCCCCOc1ccc(C(=O)COC(=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000004256493 555979559 /nfs/dbraw/zinc/97/95/59/555979559.db2.gz OQOLDDWOYDWCCF-UHFFFAOYSA-N 0 0 440.580 6.645 50 0 biogenic IKAARN CCCCc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3OCC)cc2)cc1 ZINC000004291028 555983427 /nfs/dbraw/zinc/98/34/27/555983427.db2.gz FLKLDMSOWVGRJX-UHFFFAOYSA-N 0 0 446.547 5.698 50 0 aggregator IKAARN CC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000004426976 555994286 /nfs/dbraw/zinc/99/42/86/555994286.db2.gz XKIKEDHSYHJMDH-DEOSSOPVSA-N 0 0 446.963 5.850 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nsc(SCCN3CCCCC3)c12 ZINC000004481583 555996851 /nfs/dbraw/zinc/99/68/51/555996851.db2.gz FPKLEPKLRVDAKO-UHFFFAOYSA-N 0 0 438.043 5.402 50 0 IKAARN Cc1ccc(Cl)cc1NC(=S)N1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000004480628 555996864 /nfs/dbraw/zinc/99/68/64/555996864.db2.gz AOMWGVBZGXDZTI-UHFFFAOYSA-N 0 0 442.843 5.860 50 0 IKAARN O=S(=O)(CCN1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000004481716 555996942 /nfs/dbraw/zinc/99/69/42/555996942.db2.gz SKGVXGCRQXNDRE-UHFFFAOYSA-N 0 0 437.580 5.144 50 0 IKAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000035404398 555998940 /nfs/dbraw/zinc/99/89/40/555998940.db2.gz BCQSMKCOKJDWHP-CXUHLZMHSA-N 0 0 425.453 5.622 50 0 IKAARN Cc1cc(N2CCCC2=O)c(NC(=O)C2CCCCC2)cc1NC(=O)C1CCCCC1 ZINC000004520568 555999200 /nfs/dbraw/zinc/99/92/00/555999200.db2.gz VRDDPQXYDTZXKB-UHFFFAOYSA-N 0 0 425.573 5.159 50 0 IKAARN O=C1CS[C@H](c2ccc(Br)cc2)C(c2ccc(Br)cc2)=N1 ZINC000004528494 555999598 /nfs/dbraw/zinc/99/95/98/555999598.db2.gz SGAQCTCYHSNTIV-MRXNPFEDSA-N 0 0 425.145 5.015 50 0 IKAARN Cc1ccc([C@H](CC(=O)c2cccc(Br)c2)[C@@H]2CCCCCCC2=O)cc1 ZINC000004531623 555999873 /nfs/dbraw/zinc/99/98/73/555999873.db2.gz JCWYRGIMQCPZNY-VXKWHMMOSA-N 0 0 427.382 6.654 50 0 IKAARN CC1(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc1o2 ZINC000004551940 556000887 /nfs/dbraw/zinc/00/08/87/556000887.db2.gz CFODJVUBUNRPAQ-UHFFFAOYSA-N 0 0 432.560 7.676 50 0 IKAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC(C)(C)C ZINC000004572616 556002028 /nfs/dbraw/zinc/00/20/28/556002028.db2.gz IKYAAZCJRJMGQC-UHFFFAOYSA-N 0 0 426.601 5.224 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004614227 556004304 /nfs/dbraw/zinc/00/43/04/556004304.db2.gz ATKNVUSHNWFSMJ-UHFFFAOYSA-N 0 0 432.608 5.084 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 ZINC000004646522 556004911 /nfs/dbraw/zinc/00/49/11/556004911.db2.gz GPUFBDGDSHCGJK-QXAKKESOSA-N 0 0 425.594 5.818 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000004660828 556005267 /nfs/dbraw/zinc/00/52/67/556005267.db2.gz AJJVEZHOCKLQBO-SFHVURJKSA-N 0 0 425.594 6.508 50 0 IKAARN CC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCCCC3)cc2c1CCCC2 ZINC000004649429 556005324 /nfs/dbraw/zinc/00/53/24/556005324.db2.gz DSMAJMDURRDKKR-UHFFFAOYSA-N 0 0 426.695 7.292 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000004668768 556005653 /nfs/dbraw/zinc/00/56/53/556005653.db2.gz BZXMTIAOAFOSFL-XNMGPUDCSA-N 0 0 426.560 6.625 50 0 IKAARN CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000004671159 556006012 /nfs/dbraw/zinc/00/60/12/556006012.db2.gz BLKWPVIXZQTEMJ-UHFFFAOYSA-N 0 0 425.550 5.351 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(Br)c(OC)c3)ccc2n1 ZINC000004757333 556009795 /nfs/dbraw/zinc/00/97/95/556009795.db2.gz XBZMYCOZPUOHCV-UHFFFAOYSA-N 0 0 442.357 5.413 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000004768003 556010950 /nfs/dbraw/zinc/01/09/50/556010950.db2.gz JYJCLAIKRCNNQV-DEOSSOPVSA-N 0 0 442.950 6.234 50 0 IKAARN COc1ccc(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCCC2)cc1OC ZINC000004834543 556014616 /nfs/dbraw/zinc/01/46/16/556014616.db2.gz DLSJEKZKPIXDRK-UHFFFAOYSA-N 0 0 429.560 5.464 50 0 IKAARN Cc1c(C(=O)OC2CCCCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911281 556020563 /nfs/dbraw/zinc/02/05/63/556020563.db2.gz ZRWNPVVAJHMMGW-FQEVSTJZSA-N 0 0 435.608 6.803 50 0 IKAARN O=c1c(=C2CCCCCN2)c2nc(-c3ccc(Br)cc3)cn2n1-c1ccccc1 ZINC000005318459 556045153 /nfs/dbraw/zinc/04/51/53/556045153.db2.gz IGGBRLUTDZEXSJ-UHFFFAOYSA-N 0 0 449.352 5.623 50 0 IKAARN CCOC(=O)[C@H](c1cccc(OC)c1)[C@H]1C=C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000022657111 556065741 /nfs/dbraw/zinc/06/57/41/556065741.db2.gz CPVNSMANUNADLN-PAXLWEDBSA-N 0 0 448.346 5.023 50 0 IKAARN CC(=O)N(Cc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000002275955 556070119 /nfs/dbraw/zinc/07/01/19/556070119.db2.gz COKAWIXXGTXWHP-UHFFFAOYSA-N 0 0 437.539 6.398 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000005946850 556070309 /nfs/dbraw/zinc/07/03/09/556070309.db2.gz PCVLSGWOCVKNHH-UHFFFAOYSA-N 0 0 447.585 5.879 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 ZINC000005946777 556070433 /nfs/dbraw/zinc/07/04/33/556070433.db2.gz DHVGORMVEPYKIZ-UHFFFAOYSA-N 0 0 446.532 5.114 50 0 IKAARN C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)c32)C1 ZINC000006016774 556072564 /nfs/dbraw/zinc/07/25/64/556072564.db2.gz LJPYWLWMNLKAKI-QMMMGPOBSA-N 0 0 430.904 5.907 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C)c4)cc3c2C1 ZINC000006059805 556073096 /nfs/dbraw/zinc/07/30/96/556073096.db2.gz LNFAZIGWVYVNRQ-MRXNPFEDSA-N 0 0 446.012 6.737 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C)c4)cc3c2C1 ZINC000006059807 556073198 /nfs/dbraw/zinc/07/31/98/556073198.db2.gz LNFAZIGWVYVNRQ-INIZCTEOSA-N 0 0 446.012 6.737 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 ZINC000006059803 556073247 /nfs/dbraw/zinc/07/32/47/556073247.db2.gz ABTZYGAATWMHJB-KRWDZBQOSA-N 0 0 433.573 6.635 50 0 IKAARN CC(=O)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(NC(C)=O)cc2)cc1 ZINC000006073748 556073616 /nfs/dbraw/zinc/07/36/16/556073616.db2.gz RZMUUJBNVYDKHL-UHFFFAOYSA-N 0 0 434.539 5.986 50 0 IKAARN CC(=O)c1cccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 ZINC000006074235 556073931 /nfs/dbraw/zinc/07/39/31/556073931.db2.gz HPUMYSGFRNJSJU-UHFFFAOYSA-N 0 0 449.454 5.469 50 0 IKAARN CCCCOc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000006078001 556075269 /nfs/dbraw/zinc/07/52/69/556075269.db2.gz QNGMCLZCPOUMKN-UHFFFAOYSA-N 0 0 439.603 7.386 50 0 IKAARN Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000006245423 556082544 /nfs/dbraw/zinc/08/25/44/556082544.db2.gz NTXSDHJVZWTXOI-UHFFFAOYSA-N 0 0 448.979 5.816 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)c(Cl)ccc23)c1 ZINC000006386468 556086342 /nfs/dbraw/zinc/08/63/42/556086342.db2.gz KAWNNBMBRGXSQN-UHFFFAOYSA-N 0 0 445.906 5.688 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)cc1OC ZINC000006427808 556087239 /nfs/dbraw/zinc/08/72/39/556087239.db2.gz JTDXCWLTENYJNI-OAHLLOKOSA-N 0 0 447.922 5.458 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OC)cc3)c(C)c(CC(=O)c3ccccc3)c2C)cc1 ZINC000006428105 556087297 /nfs/dbraw/zinc/08/72/97/556087297.db2.gz PKEXXONJNBMEMH-UHFFFAOYSA-N 0 0 437.539 6.475 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000006432687 556087615 /nfs/dbraw/zinc/08/76/15/556087615.db2.gz CSLOQIJJPZNTNR-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cccnc3)nc3c(Cl)cccc23)c1 ZINC000006432682 556087637 /nfs/dbraw/zinc/08/76/37/556087637.db2.gz HOBIODHEGUVRBT-UHFFFAOYSA-N 0 0 431.879 5.298 50 0 IKAARN O=C(c1ccccc1)c1cccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)c1 ZINC000006446740 556088551 /nfs/dbraw/zinc/08/85/51/556088551.db2.gz WBMXDCOTOWLODO-UHFFFAOYSA-N 0 0 439.518 7.123 50 0 IKAARN Cc1cccc2sc(NC(=O)c3cc(-c4ccccn4)nc4c(Cl)cccc34)nc21 ZINC000006456468 556088989 /nfs/dbraw/zinc/08/89/89/556088989.db2.gz RGQHARYSAOBIOU-UHFFFAOYSA-N 0 0 430.920 6.121 50 0 IKAARN O=C(C[C@@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccc(Br)cc1 ZINC000006457545 556089236 /nfs/dbraw/zinc/08/92/36/556089236.db2.gz INFUOHFIFLJRQU-HSZRJFAPSA-N 0 0 431.333 6.424 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000006457326 556089306 /nfs/dbraw/zinc/08/93/06/556089306.db2.gz 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COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)cc2)cc1 ZINC000007059319 556113832 /nfs/dbraw/zinc/11/38/32/556113832.db2.gz JGWUMCCSTANKIJ-QFIPXVFZSA-N 0 0 435.321 5.449 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccccc1Cl ZINC000002625783 556114838 /nfs/dbraw/zinc/11/48/38/556114838.db2.gz GLTLTQNLNWJRAH-UHFFFAOYSA-N 0 0 427.356 6.044 50 0 IKAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000010584692 556115101 /nfs/dbraw/zinc/11/51/01/556115101.db2.gz MCVXFNNFBIFDDR-UHFFFAOYSA-N 0 0 425.813 5.612 50 0 IKAARN C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002635777 556115463 /nfs/dbraw/zinc/11/54/63/556115463.db2.gz SBTGJXYSPFCIJN-SFHVURJKSA-N 0 0 441.449 5.480 50 0 IKAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002678314 556118666 /nfs/dbraw/zinc/11/86/66/556118666.db2.gz WHUBWYDDQGMSGL-AWEZNQCLSA-N 0 0 445.243 5.409 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCO5)cc1 ZINC000002687723 556118955 /nfs/dbraw/zinc/11/89/55/556118955.db2.gz JMYASNUKTLPMPE-UHFFFAOYSA-N 0 0 441.462 5.518 50 0 IKAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1 ZINC000002689782 556119615 /nfs/dbraw/zinc/11/96/15/556119615.db2.gz BVNVLVVIKXHZQY-UHFFFAOYSA-N 0 0 441.462 5.170 50 0 IKAARN Cc1ccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc4c(cc32)OCCO4)cc1 ZINC000002690099 556119689 /nfs/dbraw/zinc/11/96/89/556119689.db2.gz JAGIGBQKKUQPFY-UHFFFAOYSA-N 0 0 435.527 5.948 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4OC)cc2-3)cc1 ZINC000002690122 556119912 /nfs/dbraw/zinc/11/99/12/556119912.db2.gz VHGJQYULNFCBGR-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC ZINC000002691935 556120246 /nfs/dbraw/zinc/12/02/46/556120246.db2.gz GXPMKHCFJVFIJG-UHFFFAOYSA-N 0 0 443.934 6.230 50 0 IKAARN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)cc(C(=O)c1ccc(Cl)cc1)c2=O ZINC000002691859 556120287 /nfs/dbraw/zinc/12/02/87/556120287.db2.gz FOWYBEOVLMVCNT-UHFFFAOYSA-N 0 0 447.918 5.260 50 0 IKAARN Cc1cccc(Cn2cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000002693899 556120873 /nfs/dbraw/zinc/12/08/73/556120873.db2.gz RAZJHIOOPAMLKI-UHFFFAOYSA-N 0 0 449.547 5.454 50 0 IKAARN CCn1c(SCCc2ccccc2)nnc1-c1sc2cc(Cl)ccc2c1Cl ZINC000002695687 556121147 /nfs/dbraw/zinc/12/11/47/556121147.db2.gz CSUKESLKPCZGOD-UHFFFAOYSA-N 0 0 434.417 6.821 50 0 IKAARN C[C@H](CNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc21)c1ccccc1 ZINC000002694376 556121175 /nfs/dbraw/zinc/12/11/75/556121175.db2.gz QYMYNPWHRBEMBS-MRXNPFEDSA-N 0 0 447.464 6.179 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(OC)cc4)cc2-3)cc1 ZINC000002690341 556121714 /nfs/dbraw/zinc/12/17/14/556121714.db2.gz YBNBVOKQDSCHAJ-UHFFFAOYSA-N 0 0 439.515 5.667 50 0 IKAARN Fc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCCO4)cc1 ZINC000002690601 556121737 /nfs/dbraw/zinc/12/17/37/556121737.db2.gz FJGXQGVTFIDNRE-UHFFFAOYSA-N 0 0 429.426 5.301 50 0 IKAARN Clc1c2ccccc2sc1-c1nnc(SCCc2ccccc2)n1-c1ccccc1 ZINC000002690530 556121772 /nfs/dbraw/zinc/12/17/72/556121772.db2.gz QQIJBTITSFBBOD-UHFFFAOYSA-N 0 0 448.016 7.137 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(OC)c(OC)cc32)c1 ZINC000002691375 556122379 /nfs/dbraw/zinc/12/23/79/556122379.db2.gz PMSDTXNXFBLKLU-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN Cc1ccc(CNc2nc3c(-c4cccc(Br)c4)nnn3c3ccccc32)cc1 ZINC000002713109 556122405 /nfs/dbraw/zinc/12/24/05/556122405.db2.gz RLSVPSKUHYOONM-UHFFFAOYSA-N 0 0 444.336 5.628 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002703873 556122966 /nfs/dbraw/zinc/12/29/66/556122966.db2.gz DOHXTASUIICAML-NRFANRHFSA-N 0 0 446.528 5.405 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O ZINC000002704166 556123248 /nfs/dbraw/zinc/12/32/48/556123248.db2.gz NVKOFZIYLILVTP-JOCHJYFZSA-N 0 0 431.875 5.206 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000002704238 556123566 /nfs/dbraw/zinc/12/35/66/556123566.db2.gz SKBVONNDGGSFKH-QFIPXVFZSA-N 0 0 431.875 5.206 50 0 IKAARN COc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 ZINC000002707465 556124112 /nfs/dbraw/zinc/12/41/12/556124112.db2.gz IIABCXAQRXQWLR-FCHUYYIVSA-N 0 0 448.935 5.562 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000002707295 556124170 /nfs/dbraw/zinc/12/41/70/556124170.db2.gz XACJGYUUYIEBNA-DHIUTWEWSA-N 0 0 428.517 5.217 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@H](CC)C2 ZINC000002708293 556124423 /nfs/dbraw/zinc/12/44/23/556124423.db2.gz OLOYXLKTUCQNTB-RZXPCSSPSA-N 0 0 443.565 5.109 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)o2)sc2c1CCCC2 ZINC000002708439 556124520 /nfs/dbraw/zinc/12/45/20/556124520.db2.gz NKVMKUCIYYESTK-UHFFFAOYSA-N 0 0 427.547 5.551 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)o2)sc2c1CCCC2 ZINC000002708438 556124541 /nfs/dbraw/zinc/12/45/41/556124541.db2.gz DKXZNHXHEYBMMW-UHFFFAOYSA-N 0 0 441.574 5.941 50 0 IKAARN CCOc1ccc(-n2c(=O)c3c(nc2SCc2c(F)cccc2Cl)CCS3)cc1 ZINC000002719937 556126155 /nfs/dbraw/zinc/12/61/55/556126155.db2.gz QIKAFIZTYGHNQP-UHFFFAOYSA-N 0 0 448.972 5.364 50 0 IKAARN O=c1c2c(nc(SC(c3ccccc3)c3ccccc3)n1-c1ccc(F)cc1)CCS2 ZINC000002719968 556126186 /nfs/dbraw/zinc/12/61/86/556126186.db2.gz DWZPGTUUFQBAPF-UHFFFAOYSA-N 0 0 446.572 5.902 50 0 IKAARN CCOc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2Cl)CCS3)cc1 ZINC000002719938 556126224 /nfs/dbraw/zinc/12/62/24/556126224.db2.gz QHUZJUPFTFKSGY-UHFFFAOYSA-N 0 0 430.982 5.225 50 0 IKAARN C[C@H](Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)c1ccccc1 ZINC000002720043 556126493 /nfs/dbraw/zinc/12/64/93/556126493.db2.gz KFSVWLGPOGLKGH-ZDUSSCGKSA-N 0 0 445.407 5.497 50 0 IKAARN Cc1cccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)c1 ZINC000002720047 556126500 /nfs/dbraw/zinc/12/65/00/556126500.db2.gz PILIHWPWHXUKNB-UHFFFAOYSA-N 0 0 445.407 5.244 50 0 IKAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCSc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002721135 556127455 /nfs/dbraw/zinc/12/74/55/556127455.db2.gz VIGIYPJIMZTDPI-ACCUITESSA-N 0 0 442.540 5.485 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)/C=C/c2ccccc2)cc1 ZINC000002721168 556127707 /nfs/dbraw/zinc/12/77/07/556127707.db2.gz QWLOBUSHFWXOBA-LFIBNONCSA-N 0 0 428.557 5.765 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2)oc1SCc1ccccc1F)c1ccccc1 ZINC000002721595 556127711 /nfs/dbraw/zinc/12/77/11/556127711.db2.gz PUSXNFFEFTUXCO-UHFFFAOYSA-N 0 0 425.506 5.606 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1SCc1ccccc1Cl)c1ccc(F)cc1 ZINC000002721847 556127720 /nfs/dbraw/zinc/12/77/20/556127720.db2.gz DEWASAXORPBNBW-UHFFFAOYSA-N 0 0 449.912 5.852 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccccc2F)cc1 ZINC000002721837 556127770 /nfs/dbraw/zinc/12/77/70/556127770.db2.gz PRJMVCJLSXHUBE-UHFFFAOYSA-N 0 0 429.494 5.507 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccs1)C(=S)NCc1ccccc1 ZINC000002722493 556128230 /nfs/dbraw/zinc/12/82/30/556128230.db2.gz AJRAUHFUYCAPHG-UHFFFAOYSA-N 0 0 437.609 5.796 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1ccc(C)cc1C ZINC000002722324 556128276 /nfs/dbraw/zinc/12/82/76/556128276.db2.gz VBYKCAQFHCZGOA-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1-c1ccccc1)Nc1ccccc1F ZINC000002713430 556129120 /nfs/dbraw/zinc/12/91/20/556129120.db2.gz NCBPBTGTDKSNKA-UHFFFAOYSA-N 0 0 445.475 5.002 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2ccccc2)cc1Cl ZINC000002714231 556129435 /nfs/dbraw/zinc/12/94/35/556129435.db2.gz QSOYIDVBDWSREM-UHFFFAOYSA-N 0 0 438.962 6.704 50 0 IKAARN Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714178 556129483 /nfs/dbraw/zinc/12/94/83/556129483.db2.gz PQQLKBSAOQMWOL-UHFFFAOYSA-N 0 0 444.460 7.158 50 0 IKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1Cl ZINC000002714367 556129503 /nfs/dbraw/zinc/12/95/03/556129503.db2.gz UNTDUVIJTXYTLB-UHFFFAOYSA-N 0 0 440.934 6.802 50 0 IKAARN CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000002713708 556129514 /nfs/dbraw/zinc/12/95/14/556129514.db2.gz ADCHTDQCPCVJRU-UHFFFAOYSA-N 0 0 443.568 5.732 50 0 IKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2Cl)cc1 ZINC000002714486 556129808 /nfs/dbraw/zinc/12/98/08/556129808.db2.gz JODSMGWEZDCISC-UHFFFAOYSA-N 0 0 445.353 7.006 50 0 IKAARN CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002714612 556129892 /nfs/dbraw/zinc/12/98/92/556129892.db2.gz VNQYGXXVMOABIO-UHFFFAOYSA-N 0 0 440.934 6.883 50 0 IKAARN COc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000002714987 556130224 /nfs/dbraw/zinc/13/02/24/556130224.db2.gz MNMLXIFFIWDFJQ-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN Clc1cccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000002715118 556130284 /nfs/dbraw/zinc/13/02/84/556130284.db2.gz ZMZPOFHZTWOPQD-UHFFFAOYSA-N 0 0 445.353 7.006 50 0 IKAARN CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002715980 556130427 /nfs/dbraw/zinc/13/04/27/556130427.db2.gz QQCONJRAMHPOPA-UHFFFAOYSA-N 0 0 449.959 5.823 50 0 IKAARN Cc1ccc(C)c(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000002716465 556131008 /nfs/dbraw/zinc/13/10/08/556131008.db2.gz WZBLLEGLVIGZQA-UHFFFAOYSA-N 0 0 448.950 5.173 50 0 IKAARN Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1Sc1ccc(Cl)cc1 ZINC000002718526 556131560 /nfs/dbraw/zinc/13/15/60/556131560.db2.gz BSUXZNNNEJNQRJ-UHFFFAOYSA-N 0 0 426.950 6.266 50 0 IKAARN O=C(CSc1c2ccccc2[nH]c1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000002718348 556131582 /nfs/dbraw/zinc/13/15/82/556131582.db2.gz UXLDJGREDKRNJD-UHFFFAOYSA-N 0 0 427.573 5.276 50 0 IKAARN CCOC(=O)c1c(NC(=O)CSc2c(C)[nH]c3ccccc32)sc2c1CCCC2 ZINC000002718338 556131593 /nfs/dbraw/zinc/13/15/93/556131593.db2.gz CYXLPOHUMFHJER-UHFFFAOYSA-N 0 0 428.579 5.324 50 0 IKAARN COc1ccc(C(=O)Oc2c(Sc3ccc(C)cc3)c(C)nn2C(C)(C)C)c(OC)c1 ZINC000002718654 556131603 /nfs/dbraw/zinc/13/16/03/556131603.db2.gz OCWWBYLTTVZXOZ-UHFFFAOYSA-N 0 0 440.565 5.643 50 0 IKAARN Cc1nn(-c2ccccc2)c(OC(=O)c2c(F)cccc2F)c1Sc1ccc(C)cc1 ZINC000002718536 556131606 /nfs/dbraw/zinc/13/16/06/556131606.db2.gz WGUIKHUEYXYBFV-UHFFFAOYSA-N 0 0 436.483 6.138 50 0 IKAARN CCc1nnc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)s1 ZINC000002736560 556131874 /nfs/dbraw/zinc/13/18/74/556131874.db2.gz ZLFGRNSUKIFRSP-UHFFFAOYSA-N 0 0 443.359 6.183 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 ZINC000002737485 556132164 /nfs/dbraw/zinc/13/21/64/556132164.db2.gz HDPCXCVSOTVZHO-UHFFFAOYSA-N 0 0 448.009 6.623 50 0 IKAARN CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000002737439 556132170 /nfs/dbraw/zinc/13/21/70/556132170.db2.gz QLMGNGJHQVFEHU-KRWDZBQOSA-N 0 0 433.573 5.820 50 0 IKAARN CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000002737440 556132211 /nfs/dbraw/zinc/13/22/11/556132211.db2.gz QLMGNGJHQVFEHU-QGZVFWFLSA-N 0 0 433.573 5.820 50 0 IKAARN CCc1c(C)sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1C(=O)OC(C)C ZINC000002737766 556132229 /nfs/dbraw/zinc/13/22/29/556132229.db2.gz KDRVHSTYTXOTRV-UHFFFAOYSA-N 0 0 435.998 6.613 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1 ZINC000002737693 556132241 /nfs/dbraw/zinc/13/22/41/556132241.db2.gz LWLKRABOQSQTOZ-UHFFFAOYSA-N 0 0 435.310 6.664 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002737541 556132274 /nfs/dbraw/zinc/13/22/74/556132274.db2.gz FGFLEYSONURRKK-UHFFFAOYSA-N 0 0 425.290 6.278 50 0 IKAARN CCc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000002738317 556132443 /nfs/dbraw/zinc/13/24/43/556132443.db2.gz LIJPMPOLSQQHPI-UHFFFAOYSA-N 0 0 431.333 6.479 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 ZINC000002739132 556132468 /nfs/dbraw/zinc/13/24/68/556132468.db2.gz SKKWJJZBIHDICJ-NSHDSACASA-N 0 0 435.387 5.013 50 0 IKAARN CCOc1ccc(-c2c(C)sc(NC(=O)c3c(C)noc3C)c2C(=O)OC(C)C)cc1 ZINC000002738101 556132506 /nfs/dbraw/zinc/13/25/06/556132506.db2.gz IPFOXABFHMXIFI-UHFFFAOYSA-N 0 0 442.537 5.545 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002741279 556132755 /nfs/dbraw/zinc/13/27/55/556132755.db2.gz JZQWXCDNZFIMOM-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN CCc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000002740180 556132838 /nfs/dbraw/zinc/13/28/38/556132838.db2.gz LJTMQQMJAWLBID-UHFFFAOYSA-N 0 0 431.333 6.479 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 ZINC000002742451 556133054 /nfs/dbraw/zinc/13/30/54/556133054.db2.gz QOWOIOVVAQCZKC-UHFFFAOYSA-N 0 0 434.923 6.463 50 0 IKAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)Cc2ccc(Cl)cc2)c1C(=O)OC(C)C ZINC000002742264 556133078 /nfs/dbraw/zinc/13/30/78/556133078.db2.gz UBAQFSOJIBOLAI-UHFFFAOYSA-N 0 0 437.945 5.022 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)CC)C2 ZINC000002741612 556133081 /nfs/dbraw/zinc/13/30/81/556133081.db2.gz WCPAZWGRICLSIZ-VQIMIIECSA-N 0 0 443.609 5.872 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724545 556133244 /nfs/dbraw/zinc/13/32/44/556133244.db2.gz OGOPIIGPKAGHPO-NRFANRHFSA-N 0 0 429.278 5.316 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000002724228 556133264 /nfs/dbraw/zinc/13/32/64/556133264.db2.gz ZSOWZALLLPVHHC-QFIPXVFZSA-N 0 0 425.315 5.486 50 0 IKAARN Cc1cc(NC(=S)Nc2ccccc2OC(F)F)nn1Cc1c(F)cccc1Cl ZINC000002728799 556133783 /nfs/dbraw/zinc/13/37/83/556133783.db2.gz QSYKOCPVRBHLGQ-UHFFFAOYSA-N 0 0 440.878 5.443 50 0 IKAARN O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cccc(COc2ccc3c(c2)CCC3)c1 ZINC000002729423 556133786 /nfs/dbraw/zinc/13/37/86/556133786.db2.gz NFMDGTAJZDUGRX-UHFFFAOYSA-N 0 0 441.506 5.391 50 0 IKAARN FC(F)Oc1ccccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000002728743 556133796 /nfs/dbraw/zinc/13/37/96/556133796.db2.gz OHVOAAJQPASECT-UHFFFAOYSA-N 0 0 443.306 5.649 50 0 IKAARN Cc1nn([C@@H](Nc2ccc(C)cc2)c2ccc(OC(F)F)cc2)c(C)c1Br ZINC000002732100 556134451 /nfs/dbraw/zinc/13/44/51/556134451.db2.gz IQMINJVWQUUZMB-LJQANCHMSA-N 0 0 436.300 5.831 50 0 IKAARN Cc1nn([C@H](Nc2ccc(C)cc2)c2ccc(OC(F)F)cc2)c(C)c1Br ZINC000002732101 556134542 /nfs/dbraw/zinc/13/45/42/556134542.db2.gz IQMINJVWQUUZMB-IBGZPJMESA-N 0 0 436.300 5.831 50 0 IKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)cc1 ZINC000002733345 556135086 /nfs/dbraw/zinc/13/50/86/556135086.db2.gz PGWMDEHCKPEIJD-UHFFFAOYSA-N 0 0 438.571 6.594 50 0 IKAARN O=C1c2ccccc2C(=O)N1CCSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000002736064 556135399 /nfs/dbraw/zinc/13/53/99/556135399.db2.gz ZZNLRLIEAXNXEM-UHFFFAOYSA-N 0 0 437.524 5.199 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCCc3ccc(F)cc3)c3cc(C)ccc3n2)cc1 ZINC000002735630 556135401 /nfs/dbraw/zinc/13/54/01/556135401.db2.gz XUKBXHILMJZCBU-UHFFFAOYSA-N 0 0 428.507 5.721 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1C ZINC000002761631 556135672 /nfs/dbraw/zinc/13/56/72/556135672.db2.gz QRMFBZAHLUHPKF-UHFFFAOYSA-N 0 0 435.321 5.804 50 0 IKAARN Cc1sc(NC(=O)c2cccnc2Cl)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000002762592 556135679 /nfs/dbraw/zinc/13/56/79/556135679.db2.gz RYINWCXEZUWSMQ-UHFFFAOYSA-N 0 0 427.957 5.421 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)c(C)c4)cc3)sc2c1 ZINC000002761776 556135692 /nfs/dbraw/zinc/13/56/92/556135692.db2.gz BQJHHEMKEDYDCV-MRXNPFEDSA-N 0 0 436.964 6.640 50 0 IKAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccoc3C)c2C(=O)OC(C)C)cc1 ZINC000002761965 556135698 /nfs/dbraw/zinc/13/56/98/556135698.db2.gz DVRDAJBCPSJGMU-OAHLLOKOSA-N 0 0 425.550 6.648 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(OC)cc1 ZINC000002763072 556135701 /nfs/dbraw/zinc/13/57/01/556135701.db2.gz UGEJAQAFFOJUNX-LJQANCHMSA-N 0 0 442.364 5.431 50 0 IKAARN CC(C)c1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 ZINC000002762896 556135785 /nfs/dbraw/zinc/13/57/85/556135785.db2.gz YUSFFVZFMNABES-UHFFFAOYSA-N 0 0 449.348 6.311 50 0 IKAARN CCc1c(C)sc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c1C(=O)OC ZINC000002764317 556135978 /nfs/dbraw/zinc/13/59/78/556135978.db2.gz YJIBYQQGLWEQGP-UHFFFAOYSA-N 0 0 436.558 5.935 50 0 IKAARN Cc1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000002764276 556136043 /nfs/dbraw/zinc/13/60/43/556136043.db2.gz FCGJNTMCQYDBGT-UHFFFAOYSA-N 0 0 436.533 5.101 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)nc1-c1ccccc1 ZINC000002742677 556136315 /nfs/dbraw/zinc/13/63/15/556136315.db2.gz KIRBJBGVZWNUPP-UHFFFAOYSA-N 0 0 449.579 7.203 50 0 IKAARN O=c1c2ccccc2cnn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000002745798 556136330 /nfs/dbraw/zinc/13/63/30/556136330.db2.gz DIVUKAFYLPXHNF-UHFFFAOYSA-N 0 0 437.208 5.168 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)C[C@@H](C)CC2 ZINC000002749931 556136886 /nfs/dbraw/zinc/13/68/86/556136886.db2.gz YRPOXCWHSFFVKE-AWEZNQCLSA-N 0 0 433.529 5.536 50 0 IKAARN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc(Br)c(Br)c1 ZINC000002750156 556136921 /nfs/dbraw/zinc/13/69/21/556136921.db2.gz SFIPOFGHVSVQCP-FNORWQNLSA-N 0 0 449.957 6.170 50 0 IKAARN Cc1ccc(/C=C/C(=O)NC[C@]2(C)C[C@@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 ZINC000002752650 556137223 /nfs/dbraw/zinc/13/72/23/556137223.db2.gz FKJSNQKYYVGFEG-FIUKJUABSA-N 0 0 438.568 5.033 50 0 IKAARN Cc1ccc(C(=O)NC[C@@]2(C)C[C@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C ZINC000002752492 556137227 /nfs/dbraw/zinc/13/72/27/556137227.db2.gz KSIKJNIQBQLYQP-YWEHKCAJSA-N 0 0 434.624 5.665 50 0 IKAARN Cc1ccc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C ZINC000002752491 556137237 /nfs/dbraw/zinc/13/72/37/556137237.db2.gz KSIKJNIQBQLYQP-RBJSKKJNSA-N 0 0 434.624 5.665 50 0 IKAARN CCCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 ZINC000002752838 556137255 /nfs/dbraw/zinc/13/72/55/556137255.db2.gz QPUNNCBMEQSDBB-UHFFFAOYSA-N 0 0 443.952 6.286 50 0 IKAARN Cc1ccc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C ZINC000002752493 556137263 /nfs/dbraw/zinc/13/72/63/556137263.db2.gz KSIKJNIQBQLYQP-UFHPHHKVSA-N 0 0 434.624 5.665 50 0 IKAARN CCc1ccc(-c2nc(NC(=O)c3csc4c3CC[C@H](C(C)(C)C)C4)sc2C)cc1 ZINC000002755065 556137472 /nfs/dbraw/zinc/13/74/72/556137472.db2.gz GBSVLGWCSDWHMY-SFHVURJKSA-N 0 0 438.662 7.146 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(=O)OC)C1 ZINC000002754723 556137509 /nfs/dbraw/zinc/13/75/09/556137509.db2.gz VRACOSVIUYIYCK-OAHLLOKOSA-N 0 0 447.556 5.926 50 0 IKAARN CC(C)c1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)cc1 ZINC000002754864 556137549 /nfs/dbraw/zinc/13/75/49/556137549.db2.gz KIUXQDGWGFTJCJ-UHFFFAOYSA-N 0 0 435.354 7.584 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(C)c(C)c1 ZINC000002759571 556137807 /nfs/dbraw/zinc/13/78/07/556137807.db2.gz ZNMMEWZPMUQXSX-HXUWFJFHSA-N 0 0 440.392 6.039 50 0 IKAARN O=C(Nc1ccc(Br)cc1Cl)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002781501 556138014 /nfs/dbraw/zinc/13/80/14/556138014.db2.gz AJRWMRJYQNXQOD-UHFFFAOYSA-N 0 0 441.663 5.213 50 0 IKAARN CC(C)(C)C1CCC(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)CC1 ZINC000002782353 556138100 /nfs/dbraw/zinc/13/81/00/556138100.db2.gz HNQWIMCZMWHDNU-UHFFFAOYSA-N 0 0 434.462 5.343 50 0 IKAARN COc1ccc2cc([C@@H](C)C(=O)OCC(=O)Nc3nc(-c4ccccc4)cs3)ccc2c1 ZINC000002784376 556138328 /nfs/dbraw/zinc/13/83/28/556138328.db2.gz AMGGCKCDGWHPGS-MRXNPFEDSA-N 0 0 446.528 5.257 50 0 IKAARN C[C@H](NC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc(C(C)(C)C)cc1 ZINC000002784808 556138357 /nfs/dbraw/zinc/13/83/57/556138357.db2.gz PYGANGVRBASPBZ-ZDUSSCGKSA-N 0 0 428.326 5.344 50 0 IKAARN C[C@@H](c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002788955 556139138 /nfs/dbraw/zinc/13/91/38/556139138.db2.gz QVNZNBZUAXDXOE-MNOVXSKESA-N 0 0 446.502 5.166 50 0 IKAARN Fc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c(Cl)c1 ZINC000002789615 556139415 /nfs/dbraw/zinc/13/94/15/556139415.db2.gz SQGTXCGTQMYQOC-UHFFFAOYSA-N 0 0 440.887 5.459 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 ZINC000002767613 556139648 /nfs/dbraw/zinc/13/96/48/556139648.db2.gz KVQYUUCUTOWZTF-UHFFFAOYSA-N 0 0 433.982 6.314 50 0 IKAARN COc1ccc(-c2csc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2C(=O)OC(C)C)cc1 ZINC000002767799 556139819 /nfs/dbraw/zinc/13/98/19/556139819.db2.gz VKRLJHBWOYYDCK-IBGZPJMESA-N 0 0 442.364 5.511 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc(C)c1-c1ccc(F)cc1 ZINC000002768884 556139849 /nfs/dbraw/zinc/13/98/49/556139849.db2.gz GTQRPHMTSGOOOB-CQSZACIVSA-N 0 0 427.497 5.445 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c3cc(Br)ccc3n2)cc1 ZINC000002770053 556140272 /nfs/dbraw/zinc/14/02/72/556140272.db2.gz GYQKMXIXNNUOHB-NYHFZMIOSA-N 0 0 439.353 5.270 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)c1ccc(Cl)cc1 ZINC000002777459 556140727 /nfs/dbraw/zinc/14/07/27/556140727.db2.gz SJKWYSJSBOGKKY-OAHLLOKOSA-N 0 0 430.891 5.775 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002778548 556140982 /nfs/dbraw/zinc/14/09/82/556140982.db2.gz KNDQGYISUVEIDZ-GFCCVEGCSA-N 0 0 428.439 5.068 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002780371 556141567 /nfs/dbraw/zinc/14/15/67/556141567.db2.gz BOPZURZRBZAPOM-HNNXBMFYSA-N 0 0 442.466 5.284 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002780802 556141611 /nfs/dbraw/zinc/14/16/11/556141611.db2.gz GPJFQGDCDLNOBK-UHFFFAOYSA-N 0 0 428.439 5.218 50 0 IKAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC(F)F)cc1 ZINC000002780148 556141637 /nfs/dbraw/zinc/14/16/37/556141637.db2.gz MNYUHDUYFYSHKX-UHFFFAOYSA-N 0 0 429.414 5.878 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002781267 556141912 /nfs/dbraw/zinc/14/19/12/556141912.db2.gz PFOIPQOXRIZFAE-MRXNPFEDSA-N 0 0 442.466 5.284 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccn(COc3ccccc3F)n1)oc1ccccc12 ZINC000002798129 556141917 /nfs/dbraw/zinc/14/19/17/556141917.db2.gz JKMUJSHZAJFIQS-UHFFFAOYSA-N 0 0 431.423 5.219 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002781268 556141925 /nfs/dbraw/zinc/14/19/25/556141925.db2.gz PFOIPQOXRIZFAE-INIZCTEOSA-N 0 0 442.466 5.284 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5nn(C)c(C)c5Cl)nc4c23)C1 ZINC000002799675 556142058 /nfs/dbraw/zinc/14/20/58/556142058.db2.gz VOSBVBSRDAKWCS-LBPRGKRZSA-N 0 0 428.993 5.242 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCCCCC4)cc3n2)s1 ZINC000002804546 556143002 /nfs/dbraw/zinc/14/30/02/556143002.db2.gz VCOYWCVBCYVHRX-UHFFFAOYSA-N 0 0 436.503 5.492 50 0 IKAARN COC(=O)c1sc2cc(NC(=O)[C@H](C)Cn3nc(C)c(Cl)c3C)ccc2c1Cl ZINC000002805218 556143386 /nfs/dbraw/zinc/14/33/86/556143386.db2.gz HABYUWUMHZAUEW-SECBINFHSA-N 0 0 440.352 5.083 50 0 IKAARN Fc1ccc(OCc2ccccc2C2N=NC(=S)N2c2cccc3ccccc32)c(F)c1 ZINC000002791460 556144096 /nfs/dbraw/zinc/14/40/96/556144096.db2.gz MSCFFEWSHXSLTQ-UHFFFAOYSA-N 0 0 445.494 6.233 50 0 IKAARN CCOc1ccc(OCc2ccc(C3N=NC(=S)N3c3ccc(OCC)cc3)o2)cc1 ZINC000002792216 556144400 /nfs/dbraw/zinc/14/44/00/556144400.db2.gz QSTZNNKOXRHUCK-UHFFFAOYSA-N 0 0 437.521 5.192 50 0 IKAARN O=C(c1cc(Br)ccc1OC(F)F)N(Cc1ccccc1)c1ccccc1 ZINC000002793414 556144642 /nfs/dbraw/zinc/14/46/42/556144642.db2.gz IMVABWFSUCBTNE-UHFFFAOYSA-N 0 0 432.264 5.898 50 0 IKAARN COc1ccc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 ZINC000002793186 556144711 /nfs/dbraw/zinc/14/47/11/556144711.db2.gz ZMMBRVWTGVBYCC-SFHVURJKSA-N 0 0 445.972 5.336 50 0 IKAARN O=C(Nc1c(F)c(F)cc(F)c1F)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000002795286 556145186 /nfs/dbraw/zinc/14/51/86/556145186.db2.gz JAKSHFPRUHSTBI-UHFFFAOYSA-N 0 0 434.176 5.035 50 0 IKAARN Cc1cccc2sc(NC(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)nc21 ZINC000002795512 556145596 /nfs/dbraw/zinc/14/55/96/556145596.db2.gz GJHOQAAPGTXDMH-UHFFFAOYSA-N 0 0 433.320 5.397 50 0 IKAARN COc1cc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)ccc1OC(F)F ZINC000002795704 556145607 /nfs/dbraw/zinc/14/56/07/556145607.db2.gz RKBYQTINPOPKGF-UHFFFAOYSA-N 0 0 437.826 5.683 50 0 IKAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000002835391 556146105 /nfs/dbraw/zinc/14/61/05/556146105.db2.gz VYEUXRZRGNOQBF-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000002836012 556146111 /nfs/dbraw/zinc/14/61/11/556146111.db2.gz FJUIADLFVDKJAP-DCFHFQCYSA-N 0 0 440.587 6.517 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1OC ZINC000002819047 556146131 /nfs/dbraw/zinc/14/61/31/556146131.db2.gz CZPMGUDHTMOMHD-MDWZMJQESA-N 0 0 445.972 5.004 50 0 IKAARN CCCCCCNc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000002810030 556147314 /nfs/dbraw/zinc/14/73/14/556147314.db2.gz MFLMBMHRSJVYRA-UHFFFAOYSA-N 0 0 445.489 6.275 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1C(F)(F)F ZINC000002890008 556147787 /nfs/dbraw/zinc/14/77/87/556147787.db2.gz HJWSYTXPHSFZNR-AWEZNQCLSA-N 0 0 434.361 5.166 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1 ZINC000002916715 556148991 /nfs/dbraw/zinc/14/89/91/556148991.db2.gz IMBARSFXZOGDSH-ZEQRLZLVSA-N 0 0 444.897 5.592 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000002915344 556149077 /nfs/dbraw/zinc/14/90/77/556149077.db2.gz JYJZEMKRIHSWLE-RPBOFIJWSA-N 0 0 440.934 5.761 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002916720 556149115 /nfs/dbraw/zinc/14/91/15/556149115.db2.gz IMBARSFXZOGDSH-DNQXCXABSA-N 0 0 444.897 5.592 50 0 IKAARN c1ccc2nc(-c3ccc(Oc4ccc(-c5cnc6ccccc6n5)cc4)cc3)cnc2c1 ZINC000002895957 556149540 /nfs/dbraw/zinc/14/95/40/556149540.db2.gz YZWGHAOLRFIZPQ-UHFFFAOYSA-N 0 0 426.479 6.699 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc2c(c1)OCO2 ZINC000002909048 556149752 /nfs/dbraw/zinc/14/97/52/556149752.db2.gz UMXYLNITEUSFOX-UHFFFAOYSA-N 0 0 442.949 5.181 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1 ZINC000002925276 556150588 /nfs/dbraw/zinc/15/05/88/556150588.db2.gz NMHHQXUYCZTQKK-UHFFFAOYSA-N 0 0 434.630 6.291 50 0 IKAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(C(F)(F)F)c1 ZINC000002925017 556150716 /nfs/dbraw/zinc/15/07/16/556150716.db2.gz VTJULHQZLJVLMY-UHFFFAOYSA-N 0 0 429.876 5.608 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)sc2Nc2ccccc2C)cc1 ZINC000002962298 556151348 /nfs/dbraw/zinc/15/13/48/556151348.db2.gz QIFOVSAYZSYCIO-UHFFFAOYSA-N 0 0 441.556 6.174 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000002953467 556151918 /nfs/dbraw/zinc/15/19/18/556151918.db2.gz XEUBAMGHSOLXPJ-UHFFFAOYSA-N 0 0 425.315 7.177 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3)nc2c1 ZINC000002979291 556153586 /nfs/dbraw/zinc/15/35/86/556153586.db2.gz HPQYMZFGPWFZOH-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4C)c3)oc2c(C)c1 ZINC000002978449 556153612 /nfs/dbraw/zinc/15/36/12/556153612.db2.gz YMIYZWASRFNAPX-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000002984287 556154133 /nfs/dbraw/zinc/15/41/33/556154133.db2.gz MNPQZCQKORIHFQ-HAVVHWLPSA-N 0 0 443.499 5.196 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)oc2c(C)c1 ZINC000002983138 556154215 /nfs/dbraw/zinc/15/42/15/556154215.db2.gz NYRZLFQFKXUKDZ-UHFFFAOYSA-N 0 0 443.572 6.164 50 0 IKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000002983056 556154259 /nfs/dbraw/zinc/15/42/59/556154259.db2.gz AHMXBYLSKVFQHW-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@H](C)C2 ZINC000002967368 556154500 /nfs/dbraw/zinc/15/45/00/556154500.db2.gz MKKFGVIWGVCBGI-INIZCTEOSA-N 0 0 448.588 6.085 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@H](C)C2 ZINC000002967370 556154521 /nfs/dbraw/zinc/15/45/21/556154521.db2.gz MKKFGVIWGVCBGI-MRXNPFEDSA-N 0 0 448.588 6.085 50 0 IKAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1OCC ZINC000003008349 556154537 /nfs/dbraw/zinc/15/45/37/556154537.db2.gz JKTRADBRFTUBKR-UHFFFAOYSA-N 0 0 437.565 5.286 50 0 IKAARN O=C(Cc1ccccc1)N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003010909 556155504 /nfs/dbraw/zinc/15/55/04/556155504.db2.gz JBZLHNBYJHJAKD-OAHLLOKOSA-N 0 0 426.558 5.461 50 0 IKAARN O=C(Cc1ccccc1)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003010908 556155530 /nfs/dbraw/zinc/15/55/30/556155530.db2.gz JBZLHNBYJHJAKD-HNNXBMFYSA-N 0 0 426.558 5.461 50 0 IKAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 ZINC000003011642 556155560 /nfs/dbraw/zinc/15/55/60/556155560.db2.gz KQQNLEVBHLEXGC-IEBWSBKVSA-N 0 0 430.430 5.113 50 0 IKAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 ZINC000003011653 556155566 /nfs/dbraw/zinc/15/55/66/556155566.db2.gz LICYRNCXPDLYAF-QUCCMNQESA-N 0 0 444.457 5.421 50 0 IKAARN CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2)cc1 ZINC000003012067 556155776 /nfs/dbraw/zinc/15/57/76/556155776.db2.gz KIDLTEKEEIWZFV-UHFFFAOYSA-N 0 0 432.951 7.683 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000002997974 556156214 /nfs/dbraw/zinc/15/62/14/556156214.db2.gz IDXNTERZROQPMY-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000003006776 556156713 /nfs/dbraw/zinc/15/67/13/556156713.db2.gz MNRRYDUBPCVQSG-QHCPKHFHSA-N 0 0 425.569 5.522 50 0 IKAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1 ZINC000003006516 556156737 /nfs/dbraw/zinc/15/67/37/556156737.db2.gz ZZFPVPOIEGSIPU-XMMPIXPASA-N 0 0 446.547 5.477 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1 ZINC000003006515 556156751 /nfs/dbraw/zinc/15/67/51/556156751.db2.gz ZZFPVPOIEGSIPU-DEOSSOPVSA-N 0 0 446.547 5.477 50 0 IKAARN Clc1ccccc1Cn1nnc2c1ncnc2N(Cc1ccccc1)Cc1ccccc1 ZINC000008382964 556158853 /nfs/dbraw/zinc/15/88/53/556158853.db2.gz KIDSJNQVBWXKKO-UHFFFAOYSA-N 0 0 440.938 5.130 50 0 IKAARN O=C1CSC2=NC(c3ccccc3)=C[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)N12 ZINC000008382960 556158894 /nfs/dbraw/zinc/15/88/94/556158894.db2.gz JAJFUCMHCJEDDE-DEOSSOPVSA-N 0 0 448.551 5.567 50 0 IKAARN COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 ZINC000008382978 556158924 /nfs/dbraw/zinc/15/89/24/556158924.db2.gz AFRWOSWUNHFAGE-ZEQKJWHPSA-N 0 0 428.557 5.338 50 0 IKAARN CCc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(Cl)c3Cl)c2c1 ZINC000008383417 556159120 /nfs/dbraw/zinc/15/91/20/556159120.db2.gz IPIKRQQXMZVUAU-UHFFFAOYSA-N 0 0 439.317 7.162 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000008383387 556159219 /nfs/dbraw/zinc/15/92/19/556159219.db2.gz ZDGSCUDPVLUQAN-UHFFFAOYSA-N 0 0 426.310 5.436 50 0 IKAARN CC12[C@H]3c4cccc5cccc(c45)[C@@H]3N([C@H]3c4cccc5cccc(c45)[C@@H]31)N2c1ccccc1 ZINC000008386401 556161766 /nfs/dbraw/zinc/16/17/66/556161766.db2.gz IDPUIWYSFAENMW-ORYMTKCHSA-N 0 0 436.558 7.479 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008386281 556161914 /nfs/dbraw/zinc/16/19/14/556161914.db2.gz JSRYCETUVLGSQH-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN Cc1cc(C)n(-c2ncnc3c2sc2nc4c(c(-c5ccc(Cl)cc5)c23)CCCC4)n1 ZINC000008386828 556162463 /nfs/dbraw/zinc/16/24/63/556162463.db2.gz MXPVHQCRXKIRGV-UHFFFAOYSA-N 0 0 445.979 6.241 50 0 IKAARN COc1cc(Cl)c(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc1OC ZINC000008397570 556164159 /nfs/dbraw/zinc/16/41/59/556164159.db2.gz RNVGKDIKYZBZNS-UHFFFAOYSA-N 0 0 444.962 7.117 50 0 IKAARN COc1cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc(Cl)c1O ZINC000008397336 556164163 /nfs/dbraw/zinc/16/41/63/556164163.db2.gz IGZPBXHTDFJMER-UHFFFAOYSA-N 0 0 430.935 6.814 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 ZINC000008398023 556164517 /nfs/dbraw/zinc/16/45/17/556164517.db2.gz BGXXKNOIHYMSPR-HXUWFJFHSA-N 0 0 426.567 5.327 50 0 IKAARN Clc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008398029 556164566 /nfs/dbraw/zinc/16/45/66/556164566.db2.gz VAHPIWDBTQCHPA-NRFANRHFSA-N 0 0 436.169 7.656 50 0 IKAARN FC(F)(F)c1ccc(Cl)c(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000008398195 556164762 /nfs/dbraw/zinc/16/47/62/556164762.db2.gz BWXBGYOYBJHZGE-SDNYCIMKSA-N 0 0 426.869 7.380 50 0 IKAARN CCc1ccccc1-n1ncc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1C ZINC000008398773 556165038 /nfs/dbraw/zinc/16/50/38/556165038.db2.gz QPRISVQASMBBDM-UHFFFAOYSA-N 0 0 434.956 5.154 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000008399438 556165278 /nfs/dbraw/zinc/16/52/78/556165278.db2.gz ZOUYIJZJCWVTJT-LVWGJNHUSA-N 0 0 427.356 6.754 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)cc2)cc1 ZINC000008399269 556165318 /nfs/dbraw/zinc/16/53/18/556165318.db2.gz DEECGEXOOATKHO-MUUNZHRXSA-N 0 0 447.538 6.303 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)cc2)cc1 ZINC000008399267 556165362 /nfs/dbraw/zinc/16/53/62/556165362.db2.gz DEECGEXOOATKHO-NDEPHWFRSA-N 0 0 447.538 6.303 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000008405717 556166786 /nfs/dbraw/zinc/16/67/86/556166786.db2.gz BABSXOZWZDYFFU-QJOMJCCJSA-N 0 0 425.484 5.548 50 0 IKAARN O=C(c1ccccc1)c1ccc(-c2[nH]c(-c3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000008408080 556166863 /nfs/dbraw/zinc/16/68/63/556166863.db2.gz IKINAGLZRQZTJA-UHFFFAOYSA-N 0 0 434.926 7.295 50 0 IKAARN Clc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2ccccc2S1 ZINC000008411638 556167106 /nfs/dbraw/zinc/16/71/06/556167106.db2.gz CDIIOLDSPVZPFK-OAQYLSRUSA-N 0 0 428.782 7.460 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc2ccccc2c1 ZINC000008413814 556167402 /nfs/dbraw/zinc/16/74/02/556167402.db2.gz UOLCMJBKMYWZPW-UHFFFAOYSA-N 0 0 436.536 6.893 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl)CCCCC3 ZINC000008416473 556167714 /nfs/dbraw/zinc/16/77/14/556167714.db2.gz XERJISWYJSOLJK-UHFFFAOYSA-N 0 0 440.783 6.360 50 0 IKAARN CCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000008425390 556168275 /nfs/dbraw/zinc/16/82/75/556168275.db2.gz COGMEKUTJZKSIN-XMMPIXPASA-N 0 0 449.348 5.573 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(CC)cc1)c1ccccc21 ZINC000008425975 556168584 /nfs/dbraw/zinc/16/85/84/556168584.db2.gz QLDHLSMOUMEYBV-UHFFFAOYSA-N 0 0 437.517 5.434 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C(=O)c2ccccc2)cc1 ZINC000008426618 556169019 /nfs/dbraw/zinc/16/90/19/556169019.db2.gz VXNCYQATTAKWLC-XUZZJYLKSA-N 0 0 447.332 5.510 50 0 IKAARN O=C(c1ccc(Br)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000008426666 556169048 /nfs/dbraw/zinc/16/90/48/556169048.db2.gz YYJXUZHHFIPZEH-UWJYYQICSA-N 0 0 439.334 5.263 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000008426626 556169104 /nfs/dbraw/zinc/16/91/04/556169104.db2.gz PWFIAWWOPTVDMU-LADGPHEKSA-N 0 0 433.349 6.308 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000008426733 556169309 /nfs/dbraw/zinc/16/93/09/556169309.db2.gz PBRBUFIYYBBYBH-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1Br ZINC000008427192 556169317 /nfs/dbraw/zinc/16/93/17/556169317.db2.gz ZRICNYFQLOCGPU-NRFANRHFSA-N 0 0 441.756 6.467 50 0 IKAARN FC(F)(F)c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000008427273 556169335 /nfs/dbraw/zinc/16/93/35/556169335.db2.gz SYLIGYQTVHGAKM-NRFANRHFSA-N 0 0 435.276 7.368 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl ZINC000008427195 556169357 /nfs/dbraw/zinc/16/93/57/556169357.db2.gz RLPNYOQXRRHRGH-HXUWFJFHSA-N 0 0 431.750 7.011 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cccc(Br)c1 ZINC000008427368 556169564 /nfs/dbraw/zinc/16/95/64/556169564.db2.gz ASJZCGVGFHFWFW-NRFANRHFSA-N 0 0 441.756 6.467 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008427288 556169723 /nfs/dbraw/zinc/16/97/23/556169723.db2.gz SSQBFBMMIKMYRV-JOCHJYFZSA-N 0 0 441.756 6.467 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1cccc(Br)c1 ZINC000008427369 556169733 /nfs/dbraw/zinc/16/97/33/556169733.db2.gz ASJZCGVGFHFWFW-OAQYLSRUSA-N 0 0 441.756 6.467 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000008430233 556170330 /nfs/dbraw/zinc/17/03/30/556170330.db2.gz IFPJMIGSQJXUQN-UHFFFAOYSA-N 0 0 442.364 5.518 50 0 IKAARN Cc1c(/N=c2\scc(-c3ccc(C)cc3)n2C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000008430993 556170805 /nfs/dbraw/zinc/17/08/05/556170805.db2.gz WMLUCHJFDVONAN-LCUIJRPUSA-N 0 0 432.593 5.310 50 0 IKAARN Cc1scc(I)c1-c1c(C)scc1I ZINC000008431219 556170807 /nfs/dbraw/zinc/17/08/07/556170807.db2.gz BKDQPLUBAWHCLR-UHFFFAOYSA-N 0 0 446.116 5.303 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000008431642 556171173 /nfs/dbraw/zinc/17/11/73/556171173.db2.gz GBSAGACUTNJOCD-VGEDVAHYSA-N 0 0 426.947 6.777 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000008431916 556171466 /nfs/dbraw/zinc/17/14/66/556171466.db2.gz UWRVJMPSNRKUTM-MYYYXRDXSA-N 0 0 439.898 6.417 50 0 IKAARN COc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c(OC)c1 ZINC000008432075 556171515 /nfs/dbraw/zinc/17/15/15/556171515.db2.gz CPDCWXJXNHYPDX-UHFFFAOYSA-N 0 0 442.559 5.618 50 0 IKAARN COc1ccccc1-n1c(/C=C/c2ccc(Br)cc2)nc2ccccc2c1=O ZINC000008431751 556171520 /nfs/dbraw/zinc/17/15/20/556171520.db2.gz CPLBMSFNZOHFDE-NTCAYCPXSA-N 0 0 433.305 5.327 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000008431645 556171531 /nfs/dbraw/zinc/17/15/31/556171531.db2.gz GBSAGACUTNJOCD-VYWDTDEQSA-N 0 0 426.947 6.777 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3[C@@H](C)CCC2)cc1 ZINC000008432667 556171844 /nfs/dbraw/zinc/17/18/44/556171844.db2.gz LCOVDALSHIHZFD-KRWDZBQOSA-N 0 0 432.614 6.488 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008433129 556172489 /nfs/dbraw/zinc/17/24/89/556172489.db2.gz HQCICEAVASDSKV-UHFFFAOYSA-N 0 0 430.577 5.259 50 0 IKAARN O=c1/c(=C\c2ccc(OCc3cccc4ccccc43)cc2)sc2nc3ccccc3n12 ZINC000008435158 556173123 /nfs/dbraw/zinc/17/31/23/556173123.db2.gz LNHMWXBXKVTPCI-PCLIKHOPSA-N 0 0 434.520 5.189 50 0 IKAARN CCCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OCC ZINC000008437759 556173984 /nfs/dbraw/zinc/17/39/84/556173984.db2.gz RHJUXXUCINSTAR-UYRXBGFRSA-N 0 0 429.900 5.271 50 0 IKAARN O=C(Nc1ccc2nc(SCc3cccc(Cl)c3)sc2c1)c1ccc(F)cc1 ZINC000008438357 556174356 /nfs/dbraw/zinc/17/43/56/556174356.db2.gz URHSOMDJQGSRFG-UHFFFAOYSA-N 0 0 428.941 6.633 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 ZINC000008438992 556174904 /nfs/dbraw/zinc/17/49/04/556174904.db2.gz NURWEEMTLJFITE-MRXNPFEDSA-N 0 0 435.545 5.910 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3c2C1 ZINC000008439101 556175203 /nfs/dbraw/zinc/17/52/03/556175203.db2.gz WXVGXEZBJLOXRD-LJQANCHMSA-N 0 0 439.621 6.700 50 0 IKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc2oc1-c1ccccc1 ZINC000008439203 556175285 /nfs/dbraw/zinc/17/52/85/556175285.db2.gz IYDZKEMPSCGWJP-UHFFFAOYSA-N 0 0 449.528 5.694 50 0 IKAARN CCCc1oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1C(=O)OCC ZINC000008439271 556175471 /nfs/dbraw/zinc/17/54/71/556175471.db2.gz FTUPWIIRAWIAGE-UHFFFAOYSA-N 0 0 437.517 5.516 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc21 ZINC000008439228 556175529 /nfs/dbraw/zinc/17/55/29/556175529.db2.gz YAYUUHOCXZPGJS-UHFFFAOYSA-N 0 0 429.538 5.506 50 0 IKAARN O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000008439624 556175748 /nfs/dbraw/zinc/17/57/48/556175748.db2.gz UEEIHBGEXOLJFE-UHFFFAOYSA-N 0 0 431.542 5.531 50 0 IKAARN O=C([O-])c1ccc(C[n+]2c3ccccc3n3nc4c5cccc6cccc(c4cc32)c56)cc1 ZINC000008439396 556175853 /nfs/dbraw/zinc/17/58/53/556175853.db2.gz HCEVLKVYFCBKAF-UHFFFAOYSA-O 0 0 428.471 5.322 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C\c1ccccc1)c2-c1cccc2ccccc21 ZINC000008442255 556177156 /nfs/dbraw/zinc/17/71/56/556177156.db2.gz ZHYCDPOQKOCTHY-HIXXDTDZSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@@H]1CC[C@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 ZINC000008442224 556177170 /nfs/dbraw/zinc/17/71/70/556177170.db2.gz IUEONDMREDACST-JCUDRXCFSA-N 0 0 446.660 7.644 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1Cl ZINC000008442795 556177773 /nfs/dbraw/zinc/17/77/73/556177773.db2.gz OMNWSABIUCCXNY-UHFFFAOYSA-N 0 0 428.275 5.848 50 0 IKAARN CC(C)c1ccc(C2=N/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 ZINC000008443258 556177970 /nfs/dbraw/zinc/17/79/70/556177970.db2.gz RSZJZMZNJSABBB-NDENLUEZSA-N 0 0 426.299 6.721 50 0 IKAARN CC(=O)Nc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 ZINC000008443213 556177977 /nfs/dbraw/zinc/17/79/77/556177977.db2.gz WBXYMGDXNJXBBN-UCQKPKSFSA-N 0 0 446.890 5.222 50 0 IKAARN Cc1ccc2nc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccccc4)cc3)sc2c1 ZINC000008443050 556178033 /nfs/dbraw/zinc/17/80/33/556178033.db2.gz ZYQJCGQFWIVHIV-UHFFFAOYSA-N 0 0 435.552 6.514 50 0 IKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 ZINC000008443086 556178045 /nfs/dbraw/zinc/17/80/45/556178045.db2.gz VUHQXTIGRAOVQE-UHFFFAOYSA-N 0 0 430.529 6.644 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(C)c(C)c4)cs3)[C@@H](c3ccco3)C2)cc1 ZINC000008443300 556178066 /nfs/dbraw/zinc/17/80/66/556178066.db2.gz HLPFCWGVNDBBLL-HSZRJFAPSA-N 0 0 429.545 6.384 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1)c1ccco1 ZINC000008443304 556178070 /nfs/dbraw/zinc/17/80/70/556178070.db2.gz GQFTWPCQJSEWRQ-UHFFFAOYSA-N 0 0 441.270 6.351 50 0 IKAARN O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2cc(Br)c3ccccc3c2N1 ZINC000008443978 556178612 /nfs/dbraw/zinc/17/86/12/556178612.db2.gz CXWNEZSOOFKCRD-NRFANRHFSA-N 0 0 428.329 6.743 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(=O)OC)C1 ZINC000008444187 556178698 /nfs/dbraw/zinc/17/86/98/556178698.db2.gz PIPQTRVWCWFLRU-IGLNGXFKSA-N 0 0 443.653 6.231 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4)c3N2)cc1 ZINC000008444653 556179272 /nfs/dbraw/zinc/17/92/72/556179272.db2.gz HGPIEWULRCWKKL-ZWKOTPCHSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2 ZINC000008445632 556179923 /nfs/dbraw/zinc/17/99/23/556179923.db2.gz VZFGFZKORYMRPW-UHFFFAOYSA-N 0 0 438.980 6.483 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c(C)c1 ZINC000008445958 556180191 /nfs/dbraw/zinc/18/01/91/556180191.db2.gz CLIFIKCGWOUTJP-UHFFFAOYSA-N 0 0 431.536 6.092 50 0 IKAARN CCOC(=O)C1=C(c2ccccc2)[C@@]2(c3ccccc3)O[C@]1(c1ccccc1)c1ccccc12 ZINC000008446417 556180383 /nfs/dbraw/zinc/18/03/83/556180383.db2.gz FOUUOIDVZJCPLU-IOWSJCHKSA-N 0 0 444.530 6.235 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2N)cc1 ZINC000008448449 556180438 /nfs/dbraw/zinc/18/04/38/556180438.db2.gz CDCKNRPNRYGNJA-UHFFFAOYSA-N 0 0 442.565 6.514 50 0 IKAARN COc1ccccc1NC(=S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000008448096 556180482 /nfs/dbraw/zinc/18/04/82/556180482.db2.gz INWQCJWTAMNQCG-UHFFFAOYSA-N 0 0 432.589 5.040 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5c4-c4ccccc4C5=O)cc3)sc2c1 ZINC000008448191 556180485 /nfs/dbraw/zinc/18/04/85/556180485.db2.gz ZBWZDUZZPCFWGJ-UHFFFAOYSA-N 0 0 446.531 6.735 50 0 IKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(I)ccc1Cl ZINC000008448763 556180686 /nfs/dbraw/zinc/18/06/86/556180686.db2.gz SFFYRMUCHODGFZ-UHFFFAOYSA-N 0 0 447.659 6.096 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccc(F)cc3c2-c2cnc3c(c2)COc2ccccc2-3)cc1 ZINC000008448918 556180755 /nfs/dbraw/zinc/18/07/55/556180755.db2.gz SJRTXIRUNMYTBH-UHFFFAOYSA-N 0 0 435.454 6.733 50 0 IKAARN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000008449780 556180970 /nfs/dbraw/zinc/18/09/70/556180970.db2.gz FCSQPKZLJDSUKN-UHFFFAOYSA-N 0 0 445.515 5.287 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cccc23)cc1 ZINC000008450248 556181245 /nfs/dbraw/zinc/18/12/45/556181245.db2.gz MHLWHXGYDXTGBB-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN COc1ccc2o/c(=N\c3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000008450274 556181272 /nfs/dbraw/zinc/18/12/72/556181272.db2.gz JGVWSOOWWVQJCP-NFFVHWSESA-N 0 0 435.405 6.236 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000008450273 556181311 /nfs/dbraw/zinc/18/13/11/556181311.db2.gz ROHVQLRGFZAKDV-RFBIWTDZSA-N 0 0 439.471 5.394 50 0 IKAARN CC(C)NC(=O)c1sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c2c1N ZINC000008451166 556181835 /nfs/dbraw/zinc/18/18/35/556181835.db2.gz GRZOCUAPXPDKHN-UHFFFAOYSA-N 0 0 437.531 5.503 50 0 IKAARN COc1ccc(-c2c3c(N)c(C(=O)c4ccc(F)cc4)sc3nc3c2CCCC3)cc1 ZINC000008451224 556181923 /nfs/dbraw/zinc/18/19/23/556181923.db2.gz PFQSBQDELWNYBE-UHFFFAOYSA-N 0 0 432.520 5.803 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000008452368 556182827 /nfs/dbraw/zinc/18/28/27/556182827.db2.gz UIJHTWHEUQXHBN-UHFFFAOYSA-N 0 0 445.302 5.272 50 0 IKAARN CCCCCN(CCCCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000008452933 556183443 /nfs/dbraw/zinc/18/34/43/556183443.db2.gz RFFPEWJSLZLZIC-CLCOLTQESA-N 0 0 438.015 6.766 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccn1)N(C(C)=O)c1ccccc1-2 ZINC000008453092 556183772 /nfs/dbraw/zinc/18/37/72/556183772.db2.gz HKPHCLPUBIAASY-QFIPXVFZSA-N 0 0 435.553 5.050 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 ZINC000008453155 556183811 /nfs/dbraw/zinc/18/38/11/556183811.db2.gz CQYVPSZLMWSAAD-JOCHJYFZSA-N 0 0 435.553 5.050 50 0 IKAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2ccccc2c1 ZINC000008453334 556184062 /nfs/dbraw/zinc/18/40/62/556184062.db2.gz SIFXYGAKYOWVJM-GFCCVEGCSA-N 0 0 449.142 5.771 50 0 IKAARN O[C@]1(c2ccccc2)c2cccc(Cl)c2[C@@](O)(c2ccccc2)c2cccc(Cl)c21 ZINC000008453497 556184379 /nfs/dbraw/zinc/18/43/79/556184379.db2.gz OXZHORJEIJPDMT-CLJLJLNGSA-N 0 0 433.334 5.875 50 0 IKAARN CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000008453357 556184431 /nfs/dbraw/zinc/18/44/31/556184431.db2.gz MOADAZDBPRCZQF-OLZOCXBDSA-N 0 0 435.200 5.312 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000008453356 556184448 /nfs/dbraw/zinc/18/44/48/556184448.db2.gz MOADAZDBPRCZQF-CHWSQXEVSA-N 0 0 435.200 5.312 50 0 IKAARN O=C(Oc1ccc(Sc2ccc(O)cc2)cc1)c1ccccc1I ZINC000008453396 556184470 /nfs/dbraw/zinc/18/44/70/556184470.db2.gz RIPQJJUNVWYZOJ-UHFFFAOYSA-N 0 0 448.281 5.367 50 0 IKAARN O[C@@]1(c2ccccc2)c2cccc(Cl)c2[C@](O)(c2ccccc2)c2cccc(Cl)c21 ZINC000008453490 556184481 /nfs/dbraw/zinc/18/44/81/556184481.db2.gz OXZHORJEIJPDMT-UIOOFZCWSA-N 0 0 433.334 5.875 50 0 IKAARN O[C@]1(c2cccs2)c2cccc(Cl)c2[C@@](O)(c2cccs2)c2cccc(Cl)c21 ZINC000008453469 556184501 /nfs/dbraw/zinc/18/45/01/556184501.db2.gz CQLPZIXZXBMJOU-VXKWHMMOSA-N 0 0 445.392 5.998 50 0 IKAARN CCC[C@H](NC(=O)[C@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454309 556185002 /nfs/dbraw/zinc/18/50/02/556185002.db2.gz DFOQZEFZDFHNFZ-LNWBQHBXSA-N 0 0 447.255 5.384 50 0 IKAARN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)c(Cl)c1 ZINC000008454183 556185085 /nfs/dbraw/zinc/18/50/85/556185085.db2.gz FCEYCDRDNUUCTF-UHFFFAOYSA-N 0 0 449.447 7.224 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000008454596 556185229 /nfs/dbraw/zinc/18/52/29/556185229.db2.gz UWBNKHFUTGXBLH-UHFFFAOYSA-N 0 0 431.001 6.060 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008454516 556185316 /nfs/dbraw/zinc/18/53/16/556185316.db2.gz DSURHARUJIVIQE-UHFFFAOYSA-N 0 0 432.395 6.010 50 0 IKAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)N1 ZINC000008455292 556185665 /nfs/dbraw/zinc/18/56/65/556185665.db2.gz OCLVLMAKOKRTDH-GOSISDBHSA-N 0 0 447.240 5.045 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc3ccccc31)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000008497892 556186883 /nfs/dbraw/zinc/18/68/83/556186883.db2.gz NEWZKXFPWSBRPF-QDBPJBAASA-N 0 0 435.910 5.587 50 0 IKAARN O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000003068009 556187527 /nfs/dbraw/zinc/18/75/27/556187527.db2.gz SVAKUSNJTSCJFH-HXUWFJFHSA-N 0 0 432.720 6.668 50 0 IKAARN Cc1cccc(NC2=C[C@@H](c3cccc(Br)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000008590140 556188603 /nfs/dbraw/zinc/18/86/03/556188603.db2.gz NAAOUOCATOCIFX-QHCPKHFHSA-N 0 0 433.349 6.150 50 0 aggregator IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000008590658 556188929 /nfs/dbraw/zinc/18/89/29/556188929.db2.gz NYDKVPPILDFKJK-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)cc1 ZINC000008590950 556188980 /nfs/dbraw/zinc/18/89/80/556188980.db2.gz NGLLYLXVRKDLTK-UHFFFAOYSA-N 0 0 441.318 5.551 50 0 IKAARN Clc1ccccc1-c1nnc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 ZINC000008590809 556189004 /nfs/dbraw/zinc/18/90/04/556189004.db2.gz DYTTUNOZZCTITD-UHFFFAOYSA-N 0 0 445.935 5.930 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 ZINC000008594119 556189610 /nfs/dbraw/zinc/18/96/10/556189610.db2.gz OHLILFMIUCOFMV-IBGZPJMESA-N 0 0 447.531 5.102 50 0 IKAARN COc1cc(Cl)c(C)cc1N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000008594350 556189623 /nfs/dbraw/zinc/18/96/23/556189623.db2.gz WITRQPKEOLNDTH-NRFANRHFSA-N 0 0 440.330 6.562 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000008594905 556189826 /nfs/dbraw/zinc/18/98/26/556189826.db2.gz FAPYYQSFCKCCSL-SANMLTNESA-N 0 0 446.547 5.429 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000008594728 556189930 /nfs/dbraw/zinc/18/99/30/556189930.db2.gz VZMFPIRTTVPQRR-SANMLTNESA-N 0 0 428.557 5.290 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c(Cl)c1 ZINC000008594971 556190241 /nfs/dbraw/zinc/19/02/41/556190241.db2.gz XAZKJNLFELPROP-XMMPIXPASA-N 0 0 433.914 6.448 50 0 aggregator IKAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000008599580 556190537 /nfs/dbraw/zinc/19/05/37/556190537.db2.gz GGIQWTJMDYRQNX-HSZRJFAPSA-N 0 0 449.526 5.191 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc3S2)cc1 ZINC000008604529 556191330 /nfs/dbraw/zinc/19/13/30/556191330.db2.gz HOPUJXDOQJJSIA-DEOSSOPVSA-N 0 0 446.572 5.521 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1Cl ZINC000008604603 556191378 /nfs/dbraw/zinc/19/13/78/556191378.db2.gz VQLMBQHJRAKOTC-FQEVSTJZSA-N 0 0 426.925 5.450 50 0 IKAARN COc1cc2nc(NC[C@@H](C)c3ccccc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000008604974 556191632 /nfs/dbraw/zinc/19/16/32/556191632.db2.gz LPOINARSRQKTQR-QGZVFWFLSA-N 0 0 439.519 5.177 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000008606770 556191659 /nfs/dbraw/zinc/19/16/59/556191659.db2.gz CTQNVYBBMHPCFL-INIZCTEOSA-N 0 0 449.399 5.758 50 0 IKAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)c4ccc(Br)cc4)sc3c2c1 ZINC000008609738 556191945 /nfs/dbraw/zinc/19/19/45/556191945.db2.gz DVNNRHJLKLXYDJ-UHFFFAOYSA-N 0 0 427.323 5.090 50 0 IKAARN Nc1ccccc1SCc1nc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000008616498 556192499 /nfs/dbraw/zinc/19/24/99/556192499.db2.gz HFLNIEKGSJAMDI-AATRIKPKSA-N 0 0 445.388 6.152 50 0 IKAARN c1sc2ncnc(N3CCCN(c4nc5ccccc5s4)CC3)c2c1-c1ccccc1 ZINC000008616678 556192625 /nfs/dbraw/zinc/19/26/25/556192625.db2.gz FQXWLZJLGLCTDI-UHFFFAOYSA-N 0 0 443.601 5.685 50 0 IKAARN Cc1ccc(S(=O)(=O)c2ncsc2SCc2ccc(Cl)cc2Cl)cc1 ZINC000008616744 556192900 /nfs/dbraw/zinc/19/29/00/556192900.db2.gz XJZSZHUHDPYAOM-UHFFFAOYSA-N 0 0 430.403 5.883 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)C4=Cc5cc(Cl)ccc5OC4)cc3)sc2c1 ZINC000008618285 556193293 /nfs/dbraw/zinc/19/32/93/556193293.db2.gz FFJMICRLVWFKRJ-UHFFFAOYSA-N 0 0 432.932 6.340 50 0 IKAARN O=S(=O)(Oc1ccc(Oc2ccccc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000008626862 556193892 /nfs/dbraw/zinc/19/38/92/556193892.db2.gz JDOGCBHFFFABRS-UHFFFAOYSA-N 0 0 429.708 6.207 50 0 IKAARN Cc1onc(-c2ccccc2)c1NC(=O)Nc1nc(-c2ccc(C)c(Cl)c2)c(C)s1 ZINC000008636576 556194362 /nfs/dbraw/zinc/19/43/62/556194362.db2.gz GFJCUCGVPJRPEX-UHFFFAOYSA-N 0 0 438.940 6.688 50 0 IKAARN CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000008636809 556194694 /nfs/dbraw/zinc/19/46/94/556194694.db2.gz GISBYAXEZRKIMY-SNVBAGLBSA-N 0 0 427.353 6.000 50 0 IKAARN Cc1sc(NC(=O)Nc2ccc(C(F)(F)F)cc2)nc1-c1ccc(C)c(Cl)c1 ZINC000008636706 556194703 /nfs/dbraw/zinc/19/47/03/556194703.db2.gz NCZRAZRRIRYYDU-UHFFFAOYSA-N 0 0 425.863 6.743 50 0 IKAARN COc1ccc(NC(=S)N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000008636950 556194795 /nfs/dbraw/zinc/19/47/95/556194795.db2.gz PYUFJBGQPSOPQQ-ISKFKSNPSA-N 0 0 431.536 5.555 50 0 IKAARN Cc1ccc(N2N=C(C(=O)c3ccccc3)S[C@@]23SCC(=O)N3c2ccccc2)cc1 ZINC000008636956 556195038 /nfs/dbraw/zinc/19/50/38/556195038.db2.gz FKGOBFPQRRZPLE-XMMPIXPASA-N 0 0 445.569 5.136 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc(C2CCCCC2)cc1 ZINC000008637145 556195056 /nfs/dbraw/zinc/19/50/56/556195056.db2.gz KPZXODBJMSKLFN-UHFFFAOYSA-N 0 0 430.331 7.224 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(c1ccc(C)cc1)[S@@](C)=O ZINC000008637211 556195394 /nfs/dbraw/zinc/19/53/94/556195394.db2.gz AFQQQWZHZOIARF-NDEPHWFRSA-N 0 0 438.336 5.597 50 0 IKAARN COc1ccc(-n2c(-c3ccc(Cl)cc3)cc(-c3cccs3)c2-c2ccccc2)cc1 ZINC000008647738 556195628 /nfs/dbraw/zinc/19/56/28/556195628.db2.gz OZEKLHWWLFOXSB-UHFFFAOYSA-N 0 0 441.983 8.202 50 0 IKAARN CN(C)c1ccc([C@H](CC(=O)c2ccc3ccccc3c2)Sc2ccccc2N)cc1 ZINC000008648187 556195949 /nfs/dbraw/zinc/19/59/49/556195949.db2.gz NCNZYHUSNFCARR-MHZLTWQESA-N 0 0 426.585 6.594 50 0 IKAARN O=C(Oc1ccc(Cl)cc1Cl)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 ZINC000008648434 556195964 /nfs/dbraw/zinc/19/59/64/556195964.db2.gz QSTUXHBVQIRUEQ-UHFFFAOYSA-N 0 0 448.249 6.512 50 0 IKAARN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1CCc1csc2ccccc12 ZINC000008648218 556195992 /nfs/dbraw/zinc/19/59/92/556195992.db2.gz CRJGFVGCVJXOPY-XQNSMLJCSA-N 0 0 442.971 6.427 50 0 IKAARN FC(F)(F)c1cc(Oc2ccccc2C(F)(F)F)c2cccc(Br)c2n1 ZINC000008648491 556196262 /nfs/dbraw/zinc/19/62/62/556196262.db2.gz ROOUAGBRBGCKQR-UHFFFAOYSA-N 0 0 436.149 6.827 50 0 IKAARN O=C(NCCSc1cc(C(F)(F)F)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000008648506 556196308 /nfs/dbraw/zinc/19/63/08/556196308.db2.gz WLPQQGUIAMVWMI-UHFFFAOYSA-N 0 0 425.863 5.821 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000008670234 556198312 /nfs/dbraw/zinc/19/83/12/556198312.db2.gz YBELLFWODGGSKU-LJQANCHMSA-N 0 0 432.589 6.068 50 0 aggregator IKAARN COc1ccc(NC(=O)CSc2ccc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000008687334 556200227 /nfs/dbraw/zinc/20/02/27/556200227.db2.gz DHGLAYBCLKFLFD-UHFFFAOYSA-N 0 0 425.509 5.791 50 0 IKAARN Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(Cl)c3)c2-c2ccccc2F)cc1 ZINC000008702055 556200989 /nfs/dbraw/zinc/20/09/89/556200989.db2.gz BDJFLRMBQZNNAH-UHFFFAOYSA-N 0 0 430.874 5.283 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4ccccc4)c12)COCC3 ZINC000008706669 556201076 /nfs/dbraw/zinc/20/10/76/556201076.db2.gz FXKNNKZMGGVBDS-UHFFFAOYSA-N 0 0 435.936 5.524 50 0 IKAARN CC(C)(C)c1cc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc(C(C)(C)C)c1 ZINC000008706336 556201135 /nfs/dbraw/zinc/20/11/35/556201135.db2.gz JKSDSAYJSXKHTM-UHFFFAOYSA-N 0 0 444.608 5.846 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccccc3)C2)cc1C ZINC000008720937 556202707 /nfs/dbraw/zinc/20/27/07/556202707.db2.gz ICKYVLFBOMPXDO-RUZDIDTESA-N 0 0 444.003 7.436 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)c1ccccc1 ZINC000008722006 556203054 /nfs/dbraw/zinc/20/30/54/556203054.db2.gz SFTPYWUYYDVVMR-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN COc1cc(C(=O)Nc2cc(Cl)ccc2OCc2ccccc2)cc(OC)c1OC ZINC000008722891 556203692 /nfs/dbraw/zinc/20/36/92/556203692.db2.gz PAQUDJGVEDENLG-UHFFFAOYSA-N 0 0 427.884 5.197 50 0 IKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 ZINC000008738585 556205362 /nfs/dbraw/zinc/20/53/62/556205362.db2.gz KBVAPXSPUAFYMM-NRFANRHFSA-N 0 0 447.022 7.509 50 0 IKAARN COc1cc2c(cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl)oc1ccccc12 ZINC000008738626 556205397 /nfs/dbraw/zinc/20/53/97/556205397.db2.gz ULUCKVNWDKKQAM-UHFFFAOYSA-N 0 0 445.327 6.028 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000008740562 556206260 /nfs/dbraw/zinc/20/62/60/556206260.db2.gz BAZPTYJTVHVOCZ-GOSISDBHSA-N 0 0 437.414 7.742 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c1 ZINC000008743327 556207726 /nfs/dbraw/zinc/20/77/26/556207726.db2.gz FALZVJTVHZYOMC-RBBKRZOGSA-N 0 0 436.309 5.095 50 0 IKAARN CCc1cccc2c(C3=Nn4c(nnc4[C@H]4CCCO4)S[C@H]3c3ccccc3)c[nH]c21 ZINC000008745060 556208737 /nfs/dbraw/zinc/20/87/37/556208737.db2.gz MTIWRZGFHIXNLW-KNQAVFIVSA-N 0 0 429.549 5.273 50 0 IKAARN CCc1cccc2c(C3=Nn4c(nnc4[C@@H]4CCCO4)S[C@@H]3c3ccccc3)c[nH]c21 ZINC000008745057 556208747 /nfs/dbraw/zinc/20/87/47/556208747.db2.gz MTIWRZGFHIXNLW-SIKLNZKXSA-N 0 0 429.549 5.273 50 0 IKAARN CC(=O)[C@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)c1ccccc1 ZINC000008745768 556209478 /nfs/dbraw/zinc/20/94/78/556209478.db2.gz YJDKDZNISJCMGH-IBGZPJMESA-N 0 0 440.977 5.738 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc2ccccc21 ZINC000008756276 556211051 /nfs/dbraw/zinc/21/10/51/556211051.db2.gz RBDNPNMZGJRAKR-JOCHJYFZSA-N 0 0 447.538 5.789 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1cccc2ccccc21 ZINC000008770069 556213207 /nfs/dbraw/zinc/21/32/07/556213207.db2.gz WNWOMJZTASSBMA-FYWRMAATSA-N 0 0 443.333 7.016 50 0 IKAARN Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)C(C)C)[C@H](c4ccco4)C3)c(-c3ccccc3)c2c1 ZINC000008774953 556213894 /nfs/dbraw/zinc/21/38/94/556213894.db2.gz UAIUFMWMZAABOR-QFIPXVFZSA-N 0 0 439.515 5.430 50 0 IKAARN O=c1ccccc2c(/C=C\c3cccc(C(F)(F)F)c3)nn(-c3cccc(Cl)c3)c21 ZINC000097474743 556216445 /nfs/dbraw/zinc/21/64/45/556216445.db2.gz MRJFDGJZPGCZKQ-QXMHVHEDSA-N 0 0 426.825 6.228 50 0 IKAARN O=C1CS[C@@]2(SC(/C=C\c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 ZINC000097475217 556216716 /nfs/dbraw/zinc/21/67/16/556216716.db2.gz AXFALCCTGMJPEO-NSNCMOJPSA-N 0 0 429.570 5.658 50 0 IKAARN O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)Nc1cccc2ccccc21 ZINC000008815915 556217123 /nfs/dbraw/zinc/21/71/23/556217123.db2.gz QTOVFMGSUJYSJD-UHFFFAOYSA-N 0 0 439.559 6.639 50 0 IKAARN Cc1ccc(-c2nn(CN3CC[C@H](c4ccccc4)C3)c(=S)n2-c2ccccc2)cc1 ZINC000008815707 556217152 /nfs/dbraw/zinc/21/71/52/556217152.db2.gz QRACEEYNLCOODE-QHCPKHFHSA-N 0 0 426.589 5.826 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)cc3)sc2c1 ZINC000008816112 556217362 /nfs/dbraw/zinc/21/73/62/556217362.db2.gz ZEHVOUWRQKVBJK-KRWDZBQOSA-N 0 0 445.519 5.402 50 0 IKAARN Cc1ccc(C2(c3ccc(C)cc3)O[C@@H](c3ccccc3Cl)Nc3ccccc32)cc1 ZINC000008816247 556217371 /nfs/dbraw/zinc/21/73/71/556217371.db2.gz ZAWHAXHDACTFES-MHZLTWQESA-N 0 0 425.959 7.390 50 0 IKAARN Cc1ccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1C ZINC000008857156 556227757 /nfs/dbraw/zinc/22/77/57/556227757.db2.gz GCEXVKMQEANHJE-UHFFFAOYSA-N 0 0 428.879 5.373 50 0 IKAARN CC(C)N(C(=O)Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 ZINC000008860206 556227944 /nfs/dbraw/zinc/22/79/44/556227944.db2.gz YHLFDWNHPUXHFD-SAPNQHFASA-N 0 0 429.951 6.302 50 0 IKAARN COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(=O)COc1ccc(Cl)cc1 ZINC000008861526 556228430 /nfs/dbraw/zinc/22/84/30/556228430.db2.gz NOPFSWNKWGAFPP-UHFFFAOYSA-N 0 0 429.925 5.105 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000008870915 556229699 /nfs/dbraw/zinc/22/96/99/556229699.db2.gz YVLDZOFYHXFHEN-UHFFFAOYSA-N 0 0 437.487 5.336 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12 ZINC000008892270 556230883 /nfs/dbraw/zinc/23/08/83/556230883.db2.gz FRZRLLRSEBUSKX-UHFFFAOYSA-N 0 0 439.515 6.604 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008913969 556231553 /nfs/dbraw/zinc/23/15/53/556231553.db2.gz QFANSAHOUVUNCO-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)cs2)n1 ZINC000008915858 556232532 /nfs/dbraw/zinc/23/25/32/556232532.db2.gz KGCYQKQXDLXPCV-UHFFFAOYSA-N 0 0 446.601 5.542 50 0 IKAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000008984361 556238225 /nfs/dbraw/zinc/23/82/25/556238225.db2.gz ZLWCENCTPUCZBX-SFHVURJKSA-N 0 0 427.504 5.935 50 0 IKAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000008984359 556238303 /nfs/dbraw/zinc/23/83/03/556238303.db2.gz ZLWCENCTPUCZBX-GOSISDBHSA-N 0 0 427.504 5.935 50 0 IKAARN COc1ccc(OCc2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn23)cc1 ZINC000008991429 556238667 /nfs/dbraw/zinc/23/86/67/556238667.db2.gz FDPITFKUWVYSCZ-UHFFFAOYSA-N 0 0 428.517 5.031 50 0 IKAARN C[C@H](c1nn2c(nnc(-c3ccccc3)c2=O)s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000008992299 556239114 /nfs/dbraw/zinc/23/91/14/556239114.db2.gz WORNPSVSAYJOCX-HNNXBMFYSA-N 0 0 428.492 5.171 50 0 IKAARN C[C@@H](c1nn2c(nnc(-c3ccccc3)c2=O)s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000008992300 556239252 /nfs/dbraw/zinc/23/92/52/556239252.db2.gz WORNPSVSAYJOCX-OAHLLOKOSA-N 0 0 428.492 5.171 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CCCCC3)n2-c2ccccc2)cc1 ZINC000009027304 556241715 /nfs/dbraw/zinc/24/17/15/556241715.db2.gz PURHMDXORNNWFK-UHFFFAOYSA-N 0 0 448.636 5.773 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C/c2cc(Br)ccc2O)cc1 ZINC000009035969 556241990 /nfs/dbraw/zinc/24/19/90/556241990.db2.gz UGBXGCLIPGBXNK-MDWZMJQESA-N 0 0 433.305 5.333 50 0 IKAARN COc1ccc(-n2c(/C=C/c3cc(Br)ccc3O)nc3ccccc3c2=O)cc1 ZINC000009035979 556242022 /nfs/dbraw/zinc/24/20/22/556242022.db2.gz VPDHZCYOHAHXFK-AWNIVKPZSA-N 0 0 449.304 5.033 50 0 IKAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000009057124 556243634 /nfs/dbraw/zinc/24/36/34/556243634.db2.gz WSURSINOSUUMGK-UFFVCSGVSA-N 0 0 442.273 6.056 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000009095040 556246458 /nfs/dbraw/zinc/24/64/58/556246458.db2.gz UHMDYXFMZYVZCK-UHFFFAOYSA-N 0 0 436.309 5.562 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000009096383 556247042 /nfs/dbraw/zinc/24/70/42/556247042.db2.gz CZMXPLKOAJVGGV-CYBMUJFWSA-N 0 0 442.302 5.280 50 0 IKAARN O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000009110843 556247812 /nfs/dbraw/zinc/24/78/12/556247812.db2.gz OBDIDWLMVULBJD-UHFFFAOYSA-N 0 0 436.461 6.920 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000009147013 556249560 /nfs/dbraw/zinc/24/95/60/556249560.db2.gz QBSCCALBMPBRHD-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000009189982 556252611 /nfs/dbraw/zinc/25/26/11/556252611.db2.gz RUZGBMMOVATFQN-HSZRJFAPSA-N 0 0 429.907 5.679 50 0 IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000009190457 556252864 /nfs/dbraw/zinc/25/28/64/556252864.db2.gz RWVXDIVSBZZHTG-ZDUSSCGKSA-N 0 0 442.302 5.911 50 0 IKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)nc2c1 ZINC000009190256 556252992 /nfs/dbraw/zinc/25/29/92/556252992.db2.gz AGLZVUATFILEPX-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)N2CCC(CCc3cc(F)cc(F)c3)CC2)cc1 ZINC000009191938 556254100 /nfs/dbraw/zinc/25/41/00/556254100.db2.gz LQGBGJDOSNVEEN-UHFFFAOYSA-N 0 0 432.536 5.183 50 0 IKAARN CCC(=O)Nc1nnc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)s1 ZINC000009194209 556254576 /nfs/dbraw/zinc/25/45/76/556254576.db2.gz GKTVXPHUWUBKSF-UHFFFAOYSA-N 0 0 442.953 5.200 50 0 IKAARN CCCC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000009202202 556257632 /nfs/dbraw/zinc/25/76/32/556257632.db2.gz HSPNLHWDXWSFCV-QHCPKHFHSA-N 0 0 428.488 5.272 50 0 IKAARN CCCC[C@H](C(=O)Nc1ccc(Oc2cccc(C)c2)cc1)N1C(=O)c2ccccc2C1=O ZINC000009202225 556257687 /nfs/dbraw/zinc/25/76/87/556257687.db2.gz ILHYXPDODDVSIG-XMMPIXPASA-N 0 0 442.515 5.581 50 0 IKAARN CCCC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000009202209 556257709 /nfs/dbraw/zinc/25/77/09/556257709.db2.gz HSPNLHWDXWSFCV-HSZRJFAPSA-N 0 0 428.488 5.272 50 0 IKAARN CCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009216313 556257962 /nfs/dbraw/zinc/25/79/62/556257962.db2.gz JVXNBKUJGKNQMW-UPVQGACJSA-N 0 0 439.342 6.634 50 0 IKAARN O=C(NCc1ccccc1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000009224548 556258281 /nfs/dbraw/zinc/25/82/81/556258281.db2.gz AVAJBNFBHGGJBZ-DEOSSOPVSA-N 0 0 433.914 5.818 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccccc1)[C@@H]3c1ccc(F)cc1 ZINC000009224565 556258311 /nfs/dbraw/zinc/25/83/11/556258311.db2.gz FLHFOQXIKVYQRJ-RUZDIDTESA-N 0 0 429.495 5.173 50 0 IKAARN O=C(NCCc1ccccc1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000009224552 556258332 /nfs/dbraw/zinc/25/83/32/556258332.db2.gz FIACZRHSOIGRRZ-VWLOTQADSA-N 0 0 447.941 5.860 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000009225593 556259196 /nfs/dbraw/zinc/25/91/96/556259196.db2.gz BBKMKRZBEGNVEF-HHHXNRCGSA-N 0 0 442.584 5.598 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(Cl)cc3)C2=O)cc1 ZINC000009225570 556259238 /nfs/dbraw/zinc/25/92/38/556259238.db2.gz QHOMDJHEIMFBIB-XMMPIXPASA-N 0 0 434.948 5.128 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000009225623 556259549 /nfs/dbraw/zinc/25/95/49/556259549.db2.gz QCLVFNCQHFCBSS-DEOSSOPVSA-N 0 0 434.948 5.128 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3o2)cc1C ZINC000009226533 556260456 /nfs/dbraw/zinc/26/04/56/556260456.db2.gz XUYIQPDFXNYSTG-UHFFFAOYSA-N 0 0 448.522 6.943 50 0 IKAARN CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1OC ZINC000009234985 556263146 /nfs/dbraw/zinc/26/31/46/556263146.db2.gz XBYKTIPNBTVMNP-UHFFFAOYSA-N 0 0 429.545 5.616 50 0 IKAARN O=C(C[C@H](Nc1ccccc1)c1ccccc1)c1ccc(I)cc1 ZINC000009239174 556265568 /nfs/dbraw/zinc/26/55/68/556265568.db2.gz NRMDDYPFLXYQED-FQEVSTJZSA-N 0 0 427.285 5.717 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 ZINC000009252426 556267377 /nfs/dbraw/zinc/26/73/77/556267377.db2.gz FAEHKKYWCCICHJ-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN O=C1N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000009259244 556267624 /nfs/dbraw/zinc/26/76/24/556267624.db2.gz DXBJXTKBTFVYFY-KGENOOAVSA-N 0 0 433.305 5.209 50 0 IKAARN O=C1NC(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1c1ccccc1 ZINC000009260663 556268309 /nfs/dbraw/zinc/26/83/09/556268309.db2.gz YATMJAROPWVBJW-HYARGMPZSA-N 0 0 427.891 5.440 50 0 biogenic IKAARN COCc1nn2c(nc(-c3ccc(OC)cc3)cc2C(F)(F)F)c1-c1ccc(OC)cc1 ZINC000009261102 556268968 /nfs/dbraw/zinc/26/89/68/556268968.db2.gz OFJCNKNTEFSFQF-UHFFFAOYSA-N 0 0 443.425 5.246 50 0 IKAARN COc1ccc(-c2cc(=O)n3c4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1OC ZINC000009262094 556269290 /nfs/dbraw/zinc/26/92/90/556269290.db2.gz GIVYWRALIPAYQD-UHFFFAOYSA-N 0 0 445.906 5.035 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C(C)C ZINC000009262822 556269754 /nfs/dbraw/zinc/26/97/54/556269754.db2.gz BQGLWWSFKVRKTI-UHFFFAOYSA-N 0 0 430.961 5.227 50 0 IKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000009288206 556272531 /nfs/dbraw/zinc/27/25/31/556272531.db2.gz OQFFUJQYXRWHAW-XMMPIXPASA-N 0 0 425.488 5.034 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009288233 556272550 /nfs/dbraw/zinc/27/25/50/556272550.db2.gz TUHCLXGIDDEWGP-AREMUKBSSA-N 0 0 436.559 6.396 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2Cl)cc1 ZINC000009288535 556273189 /nfs/dbraw/zinc/27/31/89/556273189.db2.gz DVRRUPPGPNKHGX-QHCPKHFHSA-N 0 0 428.923 5.926 50 0 IKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(C(C)C)cc2)n2c3ccccc3nc2N1 ZINC000009290222 556274006 /nfs/dbraw/zinc/27/40/06/556274006.db2.gz QHLCJTMZAPDBOC-VWLOTQADSA-N 0 0 440.522 6.226 50 0 IKAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@H](/C=C/c3ccccc3)CC2=O)cc1OC ZINC000009290210 556274031 /nfs/dbraw/zinc/27/40/31/556274031.db2.gz PJRXAJNPOJWVBX-YXBWYFRISA-N 0 0 439.515 5.180 50 0 IKAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1CCc1ccccc1 ZINC000009293087 556274323 /nfs/dbraw/zinc/27/43/23/556274323.db2.gz CIURACXCVRHDIH-DEOSSOPVSA-N 0 0 429.907 5.224 50 0 IKAARN CCOc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)NC2=S)cc1 ZINC000009295890 556275135 /nfs/dbraw/zinc/27/51/35/556275135.db2.gz RRLPSRQPIHBFMU-HAHDFKILSA-N 0 0 448.519 5.066 50 0 IKAARN Cc1cc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)ccc1Cl ZINC000009301958 556275843 /nfs/dbraw/zinc/27/58/43/556275843.db2.gz QMNIVUFVOOEVKL-UHFFFAOYSA-N 0 0 443.743 6.030 50 0 IKAARN Nc1ccccc1-c1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@@H]3c1cccnc1 ZINC000009302898 556275936 /nfs/dbraw/zinc/27/59/36/556275936.db2.gz FFDHLPRSWVQKEG-QFIPXVFZSA-N 0 0 442.482 5.208 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2C)cc1 ZINC000013685639 556276043 /nfs/dbraw/zinc/27/60/43/556276043.db2.gz PIBUVYRDTHOERA-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 ZINC000009305161 556276556 /nfs/dbraw/zinc/27/65/56/556276556.db2.gz WGLCOTFKVPBFGF-QGZVFWFLSA-N 0 0 438.597 5.372 50 0 IKAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009304816 556276560 /nfs/dbraw/zinc/27/65/60/556276560.db2.gz IFSNGKSBDRHXMG-QFIPXVFZSA-N 0 0 433.964 5.629 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C ZINC000009305603 556276575 /nfs/dbraw/zinc/27/65/75/556276575.db2.gz WEFFPIKWZTYQCY-UHFFFAOYSA-N 0 0 440.878 5.194 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Cl)cc1Cl ZINC000009305075 556276594 /nfs/dbraw/zinc/27/65/94/556276594.db2.gz PCZNYDAHIOTQCJ-UHFFFAOYSA-N 0 0 439.343 5.450 50 0 IKAARN Clc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000009307222 556277206 /nfs/dbraw/zinc/27/72/06/556277206.db2.gz OTKALMNBTLCIBV-UHFFFAOYSA-N 0 0 446.790 7.187 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 ZINC000009307367 556277153 /nfs/dbraw/zinc/27/71/53/556277153.db2.gz OIJSPIZRUZJFCY-UHFFFAOYSA-N 0 0 430.360 6.494 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2CC)cc1 ZINC000009307454 556277168 /nfs/dbraw/zinc/27/71/68/556277168.db2.gz UCONQMZJZRHSQR-GOSISDBHSA-N 0 0 438.597 5.430 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000009307253 556277183 /nfs/dbraw/zinc/27/71/83/556277183.db2.gz KONVMUFTBBDIOH-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2cccc(OC)c2)cc1 ZINC000009307288 556277242 /nfs/dbraw/zinc/27/72/42/556277242.db2.gz NHCCDSRTZGJRAS-UHFFFAOYSA-N 0 0 447.560 5.464 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 ZINC000009308054 556277508 /nfs/dbraw/zinc/27/75/08/556277508.db2.gz PIBCXFDUJATCKK-UHFFFAOYSA-N 0 0 429.589 6.533 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2CC)cc1 ZINC000009307733 556277536 /nfs/dbraw/zinc/27/75/36/556277536.db2.gz FHSFZIWGGZSBCH-UHFFFAOYSA-N 0 0 438.597 5.259 50 0 IKAARN Clc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009307912 556277579 /nfs/dbraw/zinc/27/75/79/556277579.db2.gz RFYLZLFHCCAZJS-QPJJXVBHSA-N 0 0 438.383 7.047 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1F ZINC000013687821 556277775 /nfs/dbraw/zinc/27/77/75/556277775.db2.gz XAAACXIIZAPONT-XLIONFOSSA-N 0 0 431.236 5.563 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000009309077 556278182 /nfs/dbraw/zinc/27/81/82/556278182.db2.gz BRUPFEDMELZABX-UHFFFAOYSA-N 0 0 442.588 5.844 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2cccnc2)cc1 ZINC000009308927 556278186 /nfs/dbraw/zinc/27/81/86/556278186.db2.gz NMWLMGGUYBUXDG-UHFFFAOYSA-N 0 0 443.576 5.492 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000009308963 556278239 /nfs/dbraw/zinc/27/82/39/556278239.db2.gz RSBLPFILNAMXSZ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000009309346 556278505 /nfs/dbraw/zinc/27/85/05/556278505.db2.gz GBBZERADYZRUON-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccccc2)cc1 ZINC000009309396 556278513 /nfs/dbraw/zinc/27/85/13/556278513.db2.gz MJZNNDHWUQUQKM-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 ZINC000009309458 556278541 /nfs/dbraw/zinc/27/85/41/556278541.db2.gz DXVZOGFXNJWLME-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccc2)cc1 ZINC000009309232 556278562 /nfs/dbraw/zinc/27/85/62/556278562.db2.gz BZNCNQBCTAFSMU-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 ZINC000009309564 556278839 /nfs/dbraw/zinc/27/88/39/556278839.db2.gz XAVZGBHHZQEGHE-UHFFFAOYSA-N 0 0 437.927 6.010 50 0 IKAARN COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Cl ZINC000013689530 556279042 /nfs/dbraw/zinc/27/90/42/556279042.db2.gz LJIKBVMRBJKNAE-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)c2ccccc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000013689624 556279079 /nfs/dbraw/zinc/27/90/79/556279079.db2.gz KERMNYXFHZZPJQ-UHFFFAOYSA-N 0 0 448.544 5.140 50 0 IKAARN COc1ccc2nc(Sc3ccccc3)c(/C=C3\N=C(c4ccccc4)OC3=O)cc2c1 ZINC000009316733 556280327 /nfs/dbraw/zinc/28/03/27/556280327.db2.gz NQSUWZIZEIVRIZ-KQWNVCNZSA-N 0 0 438.508 5.739 50 0 IKAARN COc1ccccc1C(=O)Nc1nnc(SCc2c(C)cc(C)c(C(C)=O)c2C)s1 ZINC000009320577 556280802 /nfs/dbraw/zinc/28/08/02/556280802.db2.gz ODXDBJCPLKYSMO-UHFFFAOYSA-N 0 0 441.578 5.219 50 0 IKAARN Clc1ccc(OCc2nn3c(nnc3-c3ccc4ccccc4n3)s2)c(Cl)c1 ZINC000013691533 556281032 /nfs/dbraw/zinc/28/10/32/556281032.db2.gz IOCNUUXXMIAKDY-UHFFFAOYSA-N 0 0 428.304 5.287 50 0 IKAARN O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1Cc1ccccc1Cl)CCC4 ZINC000013691468 556281177 /nfs/dbraw/zinc/28/11/77/556281177.db2.gz QIQLZHXKCVWLQV-UHFFFAOYSA-N 0 0 433.920 5.457 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2Cl)c1S(=O)(=O)c1ccccc1 ZINC000013692679 556282286 /nfs/dbraw/zinc/28/22/86/556282286.db2.gz LTJBVTGUDDGIRT-UHFFFAOYSA-N 0 0 430.957 5.424 50 0 IKAARN COc1ccc2c(c1)/C(=C1\N=C(c3ccco3)OC1=O)C=C(c1ccc(SC)cc1)O2 ZINC000013693135 556282596 /nfs/dbraw/zinc/28/25/96/556282596.db2.gz VTZGPCISRYNJSF-PYCFMQQDSA-N 0 0 431.469 5.158 50 0 IKAARN O=S(=O)(c1cc(Cl)sc1Cl)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000059829482 556283244 /nfs/dbraw/zinc/28/32/44/556283244.db2.gz WQFQDRJVVHKCBV-UHFFFAOYSA-N 0 0 433.769 5.499 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1ccccc1F)C1C(=N2)c2ccccc2O[C@@H]1c1ccccc1 ZINC000013712750 556285043 /nfs/dbraw/zinc/28/50/43/556285043.db2.gz KQEXPQCLPQQHQR-XZOQPEGZSA-N 0 0 442.519 5.699 50 0 IKAARN O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1 ZINC000009371503 556286091 /nfs/dbraw/zinc/28/60/91/556286091.db2.gz QYVHZYLNSZHLKK-UHFFFAOYSA-N 0 0 433.463 5.416 50 0 IKAARN Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(C)c(C)c2)cc1 ZINC000009371641 556286146 /nfs/dbraw/zinc/28/61/46/556286146.db2.gz NUPJWEZNROVKQJ-XMMPIXPASA-N 0 0 429.516 5.091 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1c(Cl)cc(Cl)cc1Cl ZINC000009373474 556286449 /nfs/dbraw/zinc/28/64/49/556286449.db2.gz UPMVYRKVDBFAKV-UHFFFAOYSA-N 0 0 444.796 5.871 50 0 IKAARN Cc1ccc(N[C@@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2ccccc2)cc1Cl ZINC000009371663 556286491 /nfs/dbraw/zinc/28/64/91/556286491.db2.gz OGHVHXBKJKTYID-QFIPXVFZSA-N 0 0 435.907 5.128 50 0 IKAARN CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=N2)c2ccccc2O[C@@H]1c1cccs1 ZINC000013715122 556286685 /nfs/dbraw/zinc/28/66/85/556286685.db2.gz MGOLEUARBKVJGG-NHCUHLMSSA-N 0 0 448.548 5.761 50 0 IKAARN Cc1nnc(Nc2ccc3c(c2)nc2n3CCN([C@@H](C)c3ccccc3)C2)c2ccccc12 ZINC000009408893 556287865 /nfs/dbraw/zinc/28/78/65/556287865.db2.gz HKJFLXORILOVQX-IBGZPJMESA-N 0 0 434.547 5.608 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000009410373 556288165 /nfs/dbraw/zinc/28/81/65/556288165.db2.gz BGTQDQSOFJSZIH-DZGCQCFKSA-N 0 0 428.773 5.181 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000009410764 556288407 /nfs/dbraw/zinc/28/84/07/556288407.db2.gz XOILJQPCBYZIHR-IUODEOHRSA-N 0 0 426.851 5.511 50 0 IKAARN CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc1 ZINC000009410688 556288510 /nfs/dbraw/zinc/28/85/10/556288510.db2.gz SRUJEYYOENSBBW-QZTJIDSGSA-N 0 0 434.487 5.097 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009425833 556289822 /nfs/dbraw/zinc/28/98/22/556289822.db2.gz XSQNPJUHEDQFGD-AREMUKBSSA-N 0 0 447.490 5.167 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CN1CCC(C)CC1 ZINC000009425616 556289948 /nfs/dbraw/zinc/28/99/48/556289948.db2.gz ZWWYHUGONREJDQ-UHFFFAOYSA-N 0 0 434.652 5.528 50 0 IKAARN Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(Cl)c2)cc1C ZINC000009426166 556290205 /nfs/dbraw/zinc/29/02/05/556290205.db2.gz MRXUPHVYMJYZEN-UHFFFAOYSA-N 0 0 428.941 5.597 50 0 IKAARN c1ccc2c(c1)ccc1c2Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1cccnc1 ZINC000009433903 556291153 /nfs/dbraw/zinc/29/11/53/556291153.db2.gz JFPMSGBCNLKHCQ-NRFANRHFSA-N 0 0 428.455 5.020 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000009434437 556291471 /nfs/dbraw/zinc/29/14/71/556291471.db2.gz CVDCSMCDHJRPSY-UHFFFAOYSA-N 0 0 430.331 6.370 50 0 IKAARN NC(=O)c1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCC2 ZINC000009435261 556291542 /nfs/dbraw/zinc/29/15/42/556291542.db2.gz YHWVHCCSRPMDDT-UHFFFAOYSA-N 0 0 425.362 5.500 50 0 IKAARN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)c1ccc(F)cc1 ZINC000009434246 556291597 /nfs/dbraw/zinc/29/15/97/556291597.db2.gz PFMZBZQENPYYAK-UHFFFAOYSA-N 0 0 447.579 5.849 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000013726051 556292770 /nfs/dbraw/zinc/29/27/70/556292770.db2.gz XBKTULFOKAYPNH-UHFFFAOYSA-N 0 0 432.911 5.374 50 0 IKAARN COc1cccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)c1 ZINC000009459475 556292826 /nfs/dbraw/zinc/29/28/26/556292826.db2.gz BGNUCRBZIRFWIN-UHFFFAOYSA-N 0 0 438.574 5.279 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000009479469 556293770 /nfs/dbraw/zinc/29/37/70/556293770.db2.gz GSTODRHDSMYLSZ-UHFFFAOYSA-N 0 0 432.549 5.188 50 0 IKAARN CC(C)c1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)Cc2ccc(F)cc2)cc1 ZINC000009482187 556293844 /nfs/dbraw/zinc/29/38/44/556293844.db2.gz SYCGYIKYPDWFRD-UHFFFAOYSA-N 0 0 431.580 6.830 50 0 IKAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@@H](c3ccc(Cl)cc3)CC2=O)cc1OC ZINC000009482464 556294150 /nfs/dbraw/zinc/29/41/50/556294150.db2.gz FQOZWGLULJVWSL-QGZVFWFLSA-N 0 0 447.922 5.288 50 0 IKAARN Cc1cc2nc(Nc3nc(SCc4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2cc1C ZINC000009484343 556294432 /nfs/dbraw/zinc/29/44/32/556294432.db2.gz QKANFZWMBXGUID-UHFFFAOYSA-N 0 0 437.956 5.328 50 0 IKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)no1 ZINC000009488174 556294500 /nfs/dbraw/zinc/29/45/00/556294500.db2.gz IKWRDPSHYFCSET-LJQANCHMSA-N 0 0 441.270 5.454 50 0 IKAARN COc1ccccc1-c1nc(SCC(=O)N2c3ccccc3CCc3ccccc32)n[nH]1 ZINC000009489153 556294831 /nfs/dbraw/zinc/29/48/31/556294831.db2.gz GVXNMSHMQYWOLJ-UHFFFAOYSA-N 0 0 442.544 5.036 50 0 IKAARN CC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccc(F)cc1 ZINC000009497428 556295208 /nfs/dbraw/zinc/29/52/08/556295208.db2.gz YRNVJHJBCBNQMW-RUZDIDTESA-N 0 0 431.979 6.036 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC000009499419 556295447 /nfs/dbraw/zinc/29/54/47/556295447.db2.gz XZOACPCRQLACHJ-UHFFFAOYSA-N 0 0 436.512 5.019 50 0 IKAARN Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1C ZINC000009525786 556296039 /nfs/dbraw/zinc/29/60/39/556296039.db2.gz UHKUUAGSMBLLGR-UHFFFAOYSA-N 0 0 444.918 5.968 50 0 IKAARN Cc1nnc(SCc2nc(C(c3ccccc3)c3ccccc3)no2)n1-c1ccccc1 ZINC000009546432 556297386 /nfs/dbraw/zinc/29/73/86/556297386.db2.gz RPPJAEWYCXIAQF-UHFFFAOYSA-N 0 0 439.544 5.431 50 0 IKAARN Cc1oc2cc3oc(=O)c(CC(=O)Nc4nccs4)c(C)c3cc2c1-c1ccccc1 ZINC000013735572 556297461 /nfs/dbraw/zinc/29/74/61/556297461.db2.gz CNMWJHXWZBHWFV-UHFFFAOYSA-N 0 0 430.485 5.461 50 0 IKAARN O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NO[C@H](c2ccccc2)C1 ZINC000009546631 556297731 /nfs/dbraw/zinc/29/77/31/556297731.db2.gz ZXLPPLNAHIWTJQ-NRFANRHFSA-N 0 0 445.316 5.823 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000009553966 556298041 /nfs/dbraw/zinc/29/80/41/556298041.db2.gz NRKNXHMHAZGXKP-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN Nc1c(C(=O)c2cccs2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 ZINC000013739417 556298120 /nfs/dbraw/zinc/29/81/20/556298120.db2.gz JUYORLJVXCRGLB-UHFFFAOYSA-N 0 0 430.529 6.644 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1-c1ccc(OC)cc1)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000009559784 556298248 /nfs/dbraw/zinc/29/82/48/556298248.db2.gz CITILKBQMULAQA-LJQANCHMSA-N 0 0 445.559 6.077 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000009559783 556298272 /nfs/dbraw/zinc/29/82/72/556298272.db2.gz CITILKBQMULAQA-IBGZPJMESA-N 0 0 445.559 6.077 50 0 IKAARN Cc1cc(N[C@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)ccc1Br ZINC000009561402 556299452 /nfs/dbraw/zinc/29/94/52/556299452.db2.gz ZQDOSOBLNAPWNP-FQEVSTJZSA-N 0 0 438.300 6.148 50 0 IKAARN Clc1ccccc1-c1nnc([C@H](Nc2ccc(Br)cc2)c2ccccc2)o1 ZINC000009561396 556299516 /nfs/dbraw/zinc/29/95/16/556299516.db2.gz QHTOMWNWFQSYDY-LJQANCHMSA-N 0 0 440.728 6.354 50 0 IKAARN Cc1ccc(C)c(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 ZINC000009561421 556299845 /nfs/dbraw/zinc/29/98/45/556299845.db2.gz IXOOUMSRQJYFOM-NRFANRHFSA-N 0 0 425.866 6.487 50 0 IKAARN CCOc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000009561434 556299862 /nfs/dbraw/zinc/29/98/62/556299862.db2.gz OXWSHWQMKWQHSC-OAQYLSRUSA-N 0 0 441.865 6.268 50 0 IKAARN CCc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000009561440 556299886 /nfs/dbraw/zinc/29/98/86/556299886.db2.gz OISRNBLBRHTQBN-OAQYLSRUSA-N 0 0 425.866 6.432 50 0 IKAARN Cc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc1-c1cccc(Cl)c1 ZINC000009581273 556300373 /nfs/dbraw/zinc/30/03/73/556300373.db2.gz LIFJDJFZJDYHBL-MRXNPFEDSA-N 0 0 425.941 5.072 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(-c3cccs3)s2)nc2ccc(Br)cc21 ZINC000013756296 556300445 /nfs/dbraw/zinc/30/04/45/556300445.db2.gz HABQEPOODXTCLX-UHFFFAOYSA-N 0 0 444.375 6.631 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000009581466 556300712 /nfs/dbraw/zinc/30/07/12/556300712.db2.gz HOEKCKWYBBSTNW-AWEZNQCLSA-N 0 0 434.879 5.240 50 0 IKAARN CCSCCCCCCc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000013756457 556300730 /nfs/dbraw/zinc/30/07/30/556300730.db2.gz RHBOZMBOHWNORC-UHFFFAOYSA-N 0 0 432.537 6.057 50 0 IKAARN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000009581468 556300812 /nfs/dbraw/zinc/30/08/12/556300812.db2.gz RYHJQVMKGAKULU-LJQANCHMSA-N 0 0 426.516 5.702 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013758317 556301117 /nfs/dbraw/zinc/30/11/17/556301117.db2.gz YFVWOIWAXGDSFA-BWKNWUBXSA-N 0 0 448.906 5.710 50 0 IKAARN CC(C)[C@H]1O[C@H](c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)OCC1(C)C ZINC000009584803 556301124 /nfs/dbraw/zinc/30/11/24/556301124.db2.gz XFTCCBHTEDMMLI-IXCJQBJRSA-N 0 0 443.587 6.553 50 0 IKAARN CCOc1ccc2nc(S[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3)sc2c1 ZINC000009583639 556301165 /nfs/dbraw/zinc/30/11/65/556301165.db2.gz UCZVYEQQRIHZAG-LJQANCHMSA-N 0 0 425.535 5.464 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013758231 556301177 /nfs/dbraw/zinc/30/11/77/556301177.db2.gz JEQQFEUEUJJGBJ-DVECYGJZSA-N 0 0 434.879 5.320 50 0 IKAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 ZINC000013758936 556301543 /nfs/dbraw/zinc/30/15/43/556301543.db2.gz UUDQEAVGXKAQMJ-LJQANCHMSA-N 0 0 444.245 5.577 50 0 IKAARN CC(C)n1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cc2ccccc2o1 ZINC000009595201 556301725 /nfs/dbraw/zinc/30/17/25/556301725.db2.gz AFDZRLQAXJJADX-CYBMUJFWSA-N 0 0 442.491 5.670 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c(OC)cc1Cl ZINC000009597812 556301824 /nfs/dbraw/zinc/30/18/24/556301824.db2.gz IJEIONVZZQCQLK-UHFFFAOYSA-N 0 0 437.677 5.027 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)c1 ZINC000009597838 556301853 /nfs/dbraw/zinc/30/18/53/556301853.db2.gz BTKVBQSPZDEGCY-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@H](c2ccccn2)Nc2ccccc2-3)cc1 ZINC000009597080 556301857 /nfs/dbraw/zinc/30/18/57/556301857.db2.gz QQWNTLBNIWOFQB-HXUWFJFHSA-N 0 0 433.924 5.382 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc(-c2ccccc2)n1 ZINC000032740736 556301819 /nfs/dbraw/zinc/30/18/19/556301819.db2.gz MDRMDOGVANIQHA-UHFFFAOYSA-N 0 0 438.940 5.564 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000009597876 556302108 /nfs/dbraw/zinc/30/21/08/556302108.db2.gz FPJIGUOQPBRYPD-UHFFFAOYSA-N 0 0 441.318 5.762 50 0 IKAARN COc1ccccc1-c1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1 ZINC000009597849 556302172 /nfs/dbraw/zinc/30/21/72/556302172.db2.gz WYLLJAWKBZMXTQ-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 IKAARN Brc1ccc(-c2[nH]c(-c3cccc4ccccc43)nc2-c2ccccc2)cc1 ZINC000013764821 556302474 /nfs/dbraw/zinc/30/24/74/556302474.db2.gz SFDMXBIGLJKWGT-UHFFFAOYSA-N 0 0 425.329 7.326 50 0 IKAARN CC1=NC(c2ccccc2)(c2ccccc2)c2c3ccccc3cc(Br)c2O1 ZINC000013765084 556302486 /nfs/dbraw/zinc/30/24/86/556302486.db2.gz OKOUWUCRMYYGBD-UHFFFAOYSA-N 0 0 428.329 6.705 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1O ZINC000009601826 556302689 /nfs/dbraw/zinc/30/26/89/556302689.db2.gz CIYFTZQLXPIYKL-JOCHJYFZSA-N 0 0 444.516 5.048 50 0 IKAARN COc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000009601829 556302710 /nfs/dbraw/zinc/30/27/10/556302710.db2.gz NYGVSOSGONLPSC-QFIPXVFZSA-N 0 0 428.517 5.343 50 0 IKAARN COc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000009601836 556302798 /nfs/dbraw/zinc/30/27/98/556302798.db2.gz DYSOMQFBRCCIJC-JOCHJYFZSA-N 0 0 428.517 5.343 50 0 IKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1Cl ZINC000009606302 556303018 /nfs/dbraw/zinc/30/30/18/556303018.db2.gz SCGQHFSAVWDPHP-HXUWFJFHSA-N 0 0 426.303 6.254 50 0 IKAARN CCN(C(=O)Nc1cc(C)cc(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606901 556303031 /nfs/dbraw/zinc/30/30/31/556303031.db2.gz YAEIUGMXODCVHQ-UHFFFAOYSA-N 0 0 430.371 6.248 50 0 IKAARN COc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000009606505 556303046 /nfs/dbraw/zinc/30/30/46/556303046.db2.gz MDWPBAHMIJAJSL-HXUWFJFHSA-N 0 0 444.293 6.393 50 0 IKAARN CCCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009606879 556303060 /nfs/dbraw/zinc/30/30/60/556303060.db2.gz CTONNRRITHDPOZ-UHFFFAOYSA-N 0 0 434.605 6.923 50 0 IKAARN Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1Cl ZINC000009606387 556303079 /nfs/dbraw/zinc/30/30/79/556303079.db2.gz TWYSAIJKDNIETR-FQEVSTJZSA-N 0 0 446.284 6.832 50 0 IKAARN CCCN(C(=O)Nc1ccc(OC)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009606990 556303270 /nfs/dbraw/zinc/30/32/70/556303270.db2.gz ZLNVGGYCSCKSGY-UHFFFAOYSA-N 0 0 449.620 7.315 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1C ZINC000009607339 556303282 /nfs/dbraw/zinc/30/32/82/556303282.db2.gz ROUAXJJMQAHHAP-OAQYLSRUSA-N 0 0 432.911 5.918 50 0 IKAARN CCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009607038 556303287 /nfs/dbraw/zinc/30/32/87/556303287.db2.gz HAPFROBTALWZCA-UHFFFAOYSA-N 0 0 436.762 6.284 50 0 IKAARN CCCN(C(=O)Nc1cc(C)ccc1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607089 556303339 /nfs/dbraw/zinc/30/33/39/556303339.db2.gz FBICOLIAOYSOPE-UHFFFAOYSA-N 0 0 447.648 7.923 50 0 IKAARN Cc1cc(C)cc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000009607352 556303392 /nfs/dbraw/zinc/30/33/92/556303392.db2.gz WAGZEBFNQLOINK-NRFANRHFSA-N 0 0 432.911 5.918 50 0 IKAARN Cc1ccc(-c2nnc([C@H](C)Sc3nc4sc5c(c4c(N)n3)CC[C@@H](C)C5)o2)cc1 ZINC000032741636 556303427 /nfs/dbraw/zinc/30/34/27/556303427.db2.gz OFZISRUMFTVDHP-OLZOCXBDSA-N 0 0 437.594 5.610 50 0 IKAARN C[C@H](Sc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1nnc(-c2cccs2)o1 ZINC000032741641 556303443 /nfs/dbraw/zinc/30/34/43/556303443.db2.gz LJIHNCQMHZTZJI-UWVGGRQHSA-N 0 0 429.596 5.363 50 0 IKAARN C[C@H](c1ccccc1)n1cnc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21 ZINC000009614326 556303541 /nfs/dbraw/zinc/30/35/41/556303541.db2.gz JFIKFLBHVXGCIU-OAHLLOKOSA-N 0 0 431.948 6.766 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000009614347 556303570 /nfs/dbraw/zinc/30/35/70/556303570.db2.gz XNWFIQRANGDVEM-DKODJIDWSA-N 0 0 446.591 6.014 50 0 IKAARN COc1cccc(-c2nnc(SCc3ccc(O)c4ncccc34)n2-c2ccccc2)c1 ZINC000009614311 556303607 /nfs/dbraw/zinc/30/36/07/556303607.db2.gz NYKOGGWBULEWFF-UHFFFAOYSA-N 0 0 440.528 5.489 50 0 IKAARN COc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000009607483 556303662 /nfs/dbraw/zinc/30/36/62/556303662.db2.gz ZCQNQKRQYCWYAF-HXUWFJFHSA-N 0 0 434.883 5.310 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3ncnn3-c3ccccc3)ccc21 ZINC000009614783 556303926 /nfs/dbraw/zinc/30/39/26/556303926.db2.gz CDRDEQQLUPKFHY-UHFFFAOYSA-N 0 0 427.533 5.126 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c(Cl)c1 ZINC000013768627 556304239 /nfs/dbraw/zinc/30/42/39/556304239.db2.gz YFVDRWSYNVHUJT-AUSIDOKSSA-N 0 0 439.298 5.964 50 0 IKAARN CCCCN(C)c1nc(SC)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013768520 556304259 /nfs/dbraw/zinc/30/42/59/556304259.db2.gz WRHXPIACEIRTIO-UHFFFAOYSA-N 0 0 434.634 6.353 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc(OC)c1OC ZINC000013768465 556304331 /nfs/dbraw/zinc/30/43/31/556304331.db2.gz IETLLEJSUPDFJV-RLWLMLJZSA-N 0 0 430.504 5.263 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000013769087 556304414 /nfs/dbraw/zinc/30/44/14/556304414.db2.gz PQZBOLAUUSVQIX-QFQXNSOFSA-N 0 0 430.504 5.345 50 0 IKAARN O=C(NC[C@@H]1COc2ccccc2C1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032744643 556304556 /nfs/dbraw/zinc/30/45/56/556304556.db2.gz OGQCLOVHTCOSOG-QGZVFWFLSA-N 0 0 430.529 5.101 50 0 IKAARN CCCn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs/c1=N\c1ccccc1 ZINC000013769442 556304606 /nfs/dbraw/zinc/30/46/06/556304606.db2.gz IJQKCGKLGKMUDH-VHXPQNKSSA-N 0 0 441.622 5.034 50 0 IKAARN Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1Br)nn3CC(C)C ZINC000013770335 556304857 /nfs/dbraw/zinc/30/48/57/556304857.db2.gz SDCQYAMZSRAVNT-UHFFFAOYSA-N 0 0 437.341 5.564 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3Cl)=NN21 ZINC000013770920 556305236 /nfs/dbraw/zinc/30/52/36/556305236.db2.gz ZYSNQWMPQUZZHS-NZQKXSOJSA-N 0 0 425.315 6.244 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000009668137 556305210 /nfs/dbraw/zinc/30/52/10/556305210.db2.gz CJROXKLLCFBUTE-UHFFFAOYSA-N 0 0 431.316 5.408 50 0 IKAARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccccn2)cc1Cl ZINC000009671857 556305432 /nfs/dbraw/zinc/30/54/32/556305432.db2.gz ASSDDQKBOCBEIM-LDADJPATSA-N 0 0 441.965 5.482 50 0 IKAARN CC1(C)Cc2ccccc2C(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)=N1 ZINC000004442138 556305702 /nfs/dbraw/zinc/30/57/02/556305702.db2.gz DMYHCRMUEVZSRN-UHFFFAOYSA-N 0 0 436.584 6.122 50 0 IKAARN CC[C@H](CNC(=O)[C@@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 ZINC000032736583 556306709 /nfs/dbraw/zinc/30/67/09/556306709.db2.gz GPQZWIPBQXEOOR-HZPDHXFCSA-N 0 0 442.610 5.081 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000009703317 556306825 /nfs/dbraw/zinc/30/68/25/556306825.db2.gz AJGWNGFEFGGDNK-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN COc1ccc(-c2c/c(=N\c3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1 ZINC000013776202 556307218 /nfs/dbraw/zinc/30/72/18/556307218.db2.gz CHCXHHKCKQRTIP-NCELDCMTSA-N 0 0 430.554 6.834 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4C)=NN32)cc(OC)c1OC ZINC000013776163 556307254 /nfs/dbraw/zinc/30/72/54/556307254.db2.gz WKLXYFDORGXFTG-AMGIVPHBSA-N 0 0 444.531 5.572 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013776573 556307530 /nfs/dbraw/zinc/30/75/30/556307530.db2.gz DBYKDXLWCPTVHU-XXBNENTESA-N 0 0 439.298 5.964 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000009730798 556307980 /nfs/dbraw/zinc/30/79/80/556307980.db2.gz LCTAIAKFXXJNFU-UHFFFAOYSA-N 0 0 447.560 5.245 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(C)c1 ZINC000009763349 556308633 /nfs/dbraw/zinc/30/86/33/556308633.db2.gz FIHOBVNBHGCXRS-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000009780369 556308661 /nfs/dbraw/zinc/30/86/61/556308661.db2.gz CGGJPQBOGMMGRQ-FMSGJZPZSA-N 0 0 446.926 5.661 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C ZINC000009804737 556308942 /nfs/dbraw/zinc/30/89/42/556308942.db2.gz GQLSDQXXECQOMS-OAQYLSRUSA-N 0 0 427.932 5.062 50 0 biogenic IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000013787256 556309527 /nfs/dbraw/zinc/30/95/27/556309527.db2.gz XDIYZRSPOZLWSK-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CC=C(c3ccccc3)CC2)c1C ZINC000009830245 556310382 /nfs/dbraw/zinc/31/03/82/556310382.db2.gz MGDYJHDKWHYHGX-UHFFFAOYSA-N 0 0 442.559 5.265 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)N[C@H](CC)Cc2ccccc2)c1C ZINC000009830271 556310398 /nfs/dbraw/zinc/31/03/98/556310398.db2.gz IDUOVXCXTTZMHP-HSZRJFAPSA-N 0 0 432.564 5.086 50 0 IKAARN CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013806146 556311136 /nfs/dbraw/zinc/31/11/36/556311136.db2.gz QZVLTMRQRNVSHN-NLFFAJNJSA-N 0 0 448.906 5.710 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)c1 ZINC000013805882 556311255 /nfs/dbraw/zinc/31/12/55/556311255.db2.gz CSQLDLYMCIEFIR-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN Brc1ccc(-c2nc(-c3ccccc3)c(-c3cnc4ccccc4c3)[nH]2)cc1 ZINC000013809825 556311525 /nfs/dbraw/zinc/31/15/25/556311525.db2.gz LYLSLZOLXZQTJR-UHFFFAOYSA-N 0 0 426.317 6.721 50 0 IKAARN Cc1ccc2occ([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccc(Cl)cc5)=NN43)c(=O)c2c1 ZINC000013810207 556311810 /nfs/dbraw/zinc/31/18/10/556311810.db2.gz HWACLPWDFOEXOK-NVQXNPDNSA-N 0 0 442.902 5.997 50 0 IKAARN Cc1ccc2occ([C@H]3Oc4ccccc4[C@@H]4CC(c5ccc(Cl)cc5)=NN43)c(=O)c2c1 ZINC000013810208 556311868 /nfs/dbraw/zinc/31/18/68/556311868.db2.gz HWACLPWDFOEXOK-BKMJKUGQSA-N 0 0 442.902 5.997 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1 ZINC000009846219 556313158 /nfs/dbraw/zinc/31/31/58/556313158.db2.gz NSVFXKIQUKUQMG-UHFFFAOYSA-N 0 0 434.923 6.888 50 0 IKAARN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000032752701 556313348 /nfs/dbraw/zinc/31/33/48/556313348.db2.gz CMCJYJVRLSTPRE-UHFFFAOYSA-N 0 0 436.459 5.020 50 0 IKAARN Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000009851039 556314264 /nfs/dbraw/zinc/31/42/64/556314264.db2.gz SHQSFLKKOOCPHU-UHFFFAOYSA-N 0 0 446.506 6.913 50 0 IKAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000009892190 556315398 /nfs/dbraw/zinc/31/53/98/556315398.db2.gz MLUDVLSBGPQJPV-UHFFFAOYSA-N 0 0 435.955 5.050 50 0 IKAARN CCOc1cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc(OCC)c1OCC ZINC000009905987 556316053 /nfs/dbraw/zinc/31/60/53/556316053.db2.gz XZWMUAZPEWLWJN-UHFFFAOYSA-N 0 0 449.503 6.043 50 0 IKAARN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(-c2nc3ncccc3o2)c1O ZINC000013828379 556316225 /nfs/dbraw/zinc/31/62/25/556316225.db2.gz UIADKJGBLIXMCJ-UHFFFAOYSA-N 0 0 437.883 5.353 50 0 IKAARN CC(C)(C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000013844908 556318787 /nfs/dbraw/zinc/31/87/87/556318787.db2.gz OGHCBNCKGYTQKR-XMMPIXPASA-N 0 0 449.381 7.485 50 0 IKAARN O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000009971358 556319272 /nfs/dbraw/zinc/31/92/72/556319272.db2.gz PRCGBCCPMNJYAC-QFIPXVFZSA-N 0 0 431.586 5.795 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032760113 556320068 /nfs/dbraw/zinc/32/00/68/556320068.db2.gz KSZCEBNGTFHVFN-MRXNPFEDSA-N 0 0 440.952 5.685 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000009994921 556320139 /nfs/dbraw/zinc/32/01/39/556320139.db2.gz KKLQBRCESWUHCG-UHFFFAOYSA-N 0 0 438.524 5.669 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc(OCC)c1OCC ZINC000010004252 556320434 /nfs/dbraw/zinc/32/04/34/556320434.db2.gz GARRZBKVDLKQJO-UHFFFAOYSA-N 0 0 432.948 5.389 50 0 IKAARN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc2ncccc21 ZINC000013856270 556320838 /nfs/dbraw/zinc/32/08/38/556320838.db2.gz SCNUHFOXEWPNKF-UHFFFAOYSA-N 0 0 436.103 5.021 50 0 IKAARN COc1cc(C(=O)Nc2cccc3nsnc32)ccc1OCc1ccc(Cl)cc1 ZINC000010035112 556322663 /nfs/dbraw/zinc/32/26/63/556322663.db2.gz XYIHOIYCWAXXHY-UHFFFAOYSA-N 0 0 425.897 5.185 50 0 IKAARN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000032754124 556323438 /nfs/dbraw/zinc/32/34/38/556323438.db2.gz OCLLONJAWHHPGH-BVAGGSTKSA-N 0 0 426.560 5.364 50 0 IKAARN Clc1ccccc1-c1nnc(SCc2nc(-c3ccco3)no2)n1Cc1ccccc1 ZINC000032754351 556323466 /nfs/dbraw/zinc/32/34/66/556323466.db2.gz FDFGXWZQRQCCTD-UHFFFAOYSA-N 0 0 449.923 5.582 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000010058805 556323693 /nfs/dbraw/zinc/32/36/93/556323693.db2.gz AZTUWJJPTYTFCS-QFIPXVFZSA-N 0 0 446.355 5.105 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)no1 ZINC000032754638 556324056 /nfs/dbraw/zinc/32/40/56/556324056.db2.gz BYTDIYDKIMPFCR-UHFFFAOYSA-N 0 0 430.533 5.081 50 0 IKAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000010059727 556324358 /nfs/dbraw/zinc/32/43/58/556324358.db2.gz GKTMMKIHWHYMRT-UHFFFAOYSA-N 0 0 442.972 5.409 50 0 IKAARN Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@H]2c1ccc(C(C)C)cc1 ZINC000010075816 556325023 /nfs/dbraw/zinc/32/50/23/556325023.db2.gz FZYRIMUXTQRFLN-HXUWFJFHSA-N 0 0 442.350 5.422 50 0 IKAARN Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@@H]2c1ccc(C(C)C)cc1 ZINC000010075811 556325029 /nfs/dbraw/zinc/32/50/29/556325029.db2.gz FZYRIMUXTQRFLN-FQEVSTJZSA-N 0 0 442.350 5.422 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1cccc(Br)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000013880442 556325713 /nfs/dbraw/zinc/32/57/13/556325713.db2.gz XFQABZFFVGPTQF-HUUCEWRRSA-N 0 0 439.144 5.076 50 0 IKAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 ZINC000010128934 556326547 /nfs/dbraw/zinc/32/65/47/556326547.db2.gz WYWCPJGMRIRKPN-UHFFFAOYSA-N 0 0 433.891 5.748 50 0 IKAARN CCN(CC)[C@H](c1nnnn1-c1c(C)cccc1C)c1cc(Cl)cc(Cl)c1OC ZINC000013895409 556328893 /nfs/dbraw/zinc/32/88/93/556328893.db2.gz PMVCWFOFGFMVDG-IBGZPJMESA-N 0 0 434.371 5.026 50 0 IKAARN O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1cc2ccccc2o1 ZINC000013895917 556329183 /nfs/dbraw/zinc/32/91/83/556329183.db2.gz YGYIWEIAVRYFAC-UHFFFAOYSA-N 0 0 444.315 6.189 50 0 IKAARN O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl ZINC000013896271 556329628 /nfs/dbraw/zinc/32/96/28/556329628.db2.gz SDMYSJSZUNFDLN-UHFFFAOYSA-N 0 0 445.220 5.512 50 0 IKAARN CCCc1ccc([C@@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000032768918 556333424 /nfs/dbraw/zinc/33/34/24/556333424.db2.gz UTIFTKLWLQWRDO-QHCPKHFHSA-N 0 0 425.960 5.789 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013928118 556333773 /nfs/dbraw/zinc/33/37/73/556333773.db2.gz OTFWNRHBHWZXHY-HMAPJEAMSA-N 0 0 431.463 5.456 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000013936105 556335857 /nfs/dbraw/zinc/33/58/57/556335857.db2.gz LJOBFOOHYMCJKG-UHFFFAOYSA-N 0 0 445.997 5.567 50 0 IKAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1C ZINC000013936238 556335940 /nfs/dbraw/zinc/33/59/40/556335940.db2.gz SCSLDJVYRKTDKI-UHFFFAOYSA-N 0 0 425.579 5.222 50 0 IKAARN Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000013936104 556335950 /nfs/dbraw/zinc/33/59/50/556335950.db2.gz RIGALBQWGWFUPC-UHFFFAOYSA-N 0 0 445.997 5.567 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000013936080 556336031 /nfs/dbraw/zinc/33/60/31/556336031.db2.gz WBPKQQJBUAJVBN-UHFFFAOYSA-N 0 0 435.933 5.089 50 0 IKAARN O=C(Nc1ccc(OCCc2ccccc2)cc1)c1ccccc1OCCc1ccccc1 ZINC000010508631 556336190 /nfs/dbraw/zinc/33/61/90/556336190.db2.gz OGKHJGIPMRARQA-UHFFFAOYSA-N 0 0 437.539 6.182 50 0 IKAARN O=C1N/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000013939768 556337320 /nfs/dbraw/zinc/33/73/20/556337320.db2.gz SGRJAGHYLGWDMB-XKZIYDEJSA-N 0 0 436.870 5.151 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c(C)c1 ZINC000013940057 556337576 /nfs/dbraw/zinc/33/75/76/556337576.db2.gz AKMUMTKJAMGIMU-LJAQVGFWSA-N 0 0 441.571 5.608 50 0 IKAARN Cc1cccc(-c2nnc(-c3ccc(NC(=O)Cc4ccc(Br)cc4)cc3)o2)c1 ZINC000013941651 556338575 /nfs/dbraw/zinc/33/85/75/556338575.db2.gz IVFSXUKZXZRMPQ-UHFFFAOYSA-N 0 0 448.320 5.656 50 0 IKAARN COc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1OCc1ccc(Cl)cc1Cl ZINC000013941995 556338924 /nfs/dbraw/zinc/33/89/24/556338924.db2.gz UPVRWFDEMHVTJH-UHFFFAOYSA-N 0 0 427.287 5.485 50 0 IKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)c1-c1ccccc1 ZINC000013942401 556339295 /nfs/dbraw/zinc/33/92/95/556339295.db2.gz PAGSPVYSBQZNIL-GDLZYMKVSA-N 0 0 446.525 6.730 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000013942368 556339374 /nfs/dbraw/zinc/33/93/74/556339374.db2.gz KNGIVVRBPBEWJW-HHHXNRCGSA-N 0 0 440.974 7.366 50 0 IKAARN COc1cccc(-c2c([C@@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)c1 ZINC000013942499 556339676 /nfs/dbraw/zinc/33/96/76/556339676.db2.gz NCMPNOIVXFBJOT-NDEPHWFRSA-N 0 0 438.571 6.445 50 0 IKAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)c3ccccc3n2C)cc1 ZINC000013942420 556339725 /nfs/dbraw/zinc/33/97/25/556339725.db2.gz CXFNAUQDRCHVEY-KMRXNPHXSA-N 0 0 436.555 5.878 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1C[C@@H]1CCCO1 ZINC000013942451 556339778 /nfs/dbraw/zinc/33/97/78/556339778.db2.gz UPSRTAGRGBASRX-AFMDSPMNSA-N 0 0 426.491 5.698 50 0 IKAARN CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccc(F)cc1 ZINC000013942463 556339831 /nfs/dbraw/zinc/33/98/31/556339831.db2.gz NOBYPPMMENNGFJ-MHZLTWQESA-N 0 0 426.535 6.576 50 0 IKAARN CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000013942945 556340408 /nfs/dbraw/zinc/34/04/08/556340408.db2.gz RLPOFYORCNFPIE-UHFFFAOYSA-N 0 0 438.483 5.208 50 0 IKAARN CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1 ZINC000013943023 556340420 /nfs/dbraw/zinc/34/04/20/556340420.db2.gz MXTOZMICWYENAR-XMMPIXPASA-N 0 0 432.549 5.251 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000013943714 556341047 /nfs/dbraw/zinc/34/10/47/556341047.db2.gz FVWQVQCIQJZXIE-RCCKNPSSSA-N 0 0 449.890 5.151 50 0 IKAARN O=C(CSCc1cccc(Cl)c1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000013945516 556342634 /nfs/dbraw/zinc/34/26/34/556342634.db2.gz RTELHEAFHWESII-UHFFFAOYSA-N 0 0 425.897 5.522 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000013946061 556343018 /nfs/dbraw/zinc/34/30/18/556343018.db2.gz SNXOJSPVCJPREP-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCC1=CCCCC1 ZINC000013945799 556343027 /nfs/dbraw/zinc/34/30/27/556343027.db2.gz KWZJNPLRFZQTOY-SANMLTNESA-N 0 0 427.548 5.110 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)nn12 ZINC000013946045 556343065 /nfs/dbraw/zinc/34/30/65/556343065.db2.gz MKZCNUQRFPRZNO-UHFFFAOYSA-N 0 0 435.597 5.269 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000013946064 556343067 /nfs/dbraw/zinc/34/30/67/556343067.db2.gz HFLGTXPGXJSWDT-UHFFFAOYSA-N 0 0 432.589 6.517 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000013946082 556343403 /nfs/dbraw/zinc/34/34/03/556343403.db2.gz WMSZGLKIQHRMFR-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 ZINC000013946111 556343418 /nfs/dbraw/zinc/34/34/18/556343418.db2.gz PPBIQVRNQXDWNJ-UHFFFAOYSA-N 0 0 426.903 7.171 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2c1 ZINC000013946113 556343433 /nfs/dbraw/zinc/34/34/33/556343433.db2.gz QKTKHDXKWVOYEM-UHFFFAOYSA-N 0 0 434.923 6.561 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)oc2c(C)c1 ZINC000013946098 556343442 /nfs/dbraw/zinc/34/34/42/556343442.db2.gz NERJBGIADJACJD-UHFFFAOYSA-N 0 0 434.923 6.561 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 ZINC000013946124 556343778 /nfs/dbraw/zinc/34/37/78/556343778.db2.gz HKEUVEXKLVKZGR-UHFFFAOYSA-N 0 0 436.515 5.705 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2cccc(F)c2)o1 ZINC000013946348 556343785 /nfs/dbraw/zinc/34/37/85/556343785.db2.gz VRCDKZUBVOLZRA-UHFFFAOYSA-N 0 0 444.487 6.623 50 0 IKAARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2cccc(F)c2)o1 ZINC000013946346 556343802 /nfs/dbraw/zinc/34/38/02/556343802.db2.gz XAKYJCQSFGFUSJ-UHFFFAOYSA-N 0 0 428.488 6.292 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)nc2c1 ZINC000013954879 556344509 /nfs/dbraw/zinc/34/45/09/556344509.db2.gz BVPRCHSEEBEXMM-QGZVFWFLSA-N 0 0 428.532 6.643 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1O ZINC000013955061 556344543 /nfs/dbraw/zinc/34/45/43/556344543.db2.gz JVONFQQUPHYMOX-INIZCTEOSA-N 0 0 438.911 5.321 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1O ZINC000013955060 556344575 /nfs/dbraw/zinc/34/45/75/556344575.db2.gz JVONFQQUPHYMOX-MRXNPFEDSA-N 0 0 438.911 5.321 50 0 IKAARN Cc1nc2sccn2c1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1C ZINC000011663931 556344675 /nfs/dbraw/zinc/34/46/75/556344675.db2.gz OMFALECCUUOHAS-HSZRJFAPSA-N 0 0 426.545 5.282 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N[C@H](C)c1ccccc1 ZINC000013955581 556344757 /nfs/dbraw/zinc/34/47/57/556344757.db2.gz VFRCBCKRGZLQNR-CLYVBNDRSA-N 0 0 437.543 5.289 50 0 IKAARN Cc1nnc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)s1 ZINC000013956900 556345127 /nfs/dbraw/zinc/34/51/27/556345127.db2.gz YIAKUMHBMAKZHB-UHFFFAOYSA-N 0 0 425.311 5.077 50 0 IKAARN CCn1cc([C@H]2Nc3c(sc4nc(C(F)F)cc(-c5ccccc5)c43)C(=O)N2)c(C)n1 ZINC000013958138 556345622 /nfs/dbraw/zinc/34/56/22/556345622.db2.gz CBGTXTSSQJKYRG-FQEVSTJZSA-N 0 0 439.491 5.280 50 0 IKAARN CCn1cc([C@@H]2Nc3c(sc4nc(C(F)F)cc(-c5ccccc5)c43)C(=O)N2)c(C)n1 ZINC000013958139 556345654 /nfs/dbraw/zinc/34/56/54/556345654.db2.gz CBGTXTSSQJKYRG-HXUWFJFHSA-N 0 0 439.491 5.280 50 0 IKAARN Cc1cc(C(F)(F)F)nc2sc3c(c21)N[C@@H](c1cc(Br)cs1)NC3=O ZINC000013958214 556345662 /nfs/dbraw/zinc/34/56/62/556345662.db2.gz KOXROGMPBWHMMP-GFCCVEGCSA-N 0 0 448.289 5.302 50 0 IKAARN Cc1cc(C(F)(F)F)nc2sc3c(c21)N[C@H](c1ccccc1OC(F)F)NC3=O ZINC000013959005 556346383 /nfs/dbraw/zinc/34/63/83/556346383.db2.gz XRJLLRDIXFCHGC-AWEZNQCLSA-N 0 0 429.370 5.079 50 0 IKAARN Cc1ccc(/C=C2\Sc3nnc(C(F)(F)Cl)n3N=C2c2ccc(F)cc2F)s1 ZINC000013959428 556346387 /nfs/dbraw/zinc/34/63/87/556346387.db2.gz JVOHQLDIYFFIRH-QPEQYQDCSA-N 0 0 444.866 5.614 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)C1=Cc2ccccc2OC=C1 ZINC000011689860 556346376 /nfs/dbraw/zinc/34/63/76/556346376.db2.gz CCKLZMIRZOZHIW-UHFFFAOYSA-N 0 0 439.334 5.425 50 0 IKAARN CC[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000013959839 556346716 /nfs/dbraw/zinc/34/67/16/556346716.db2.gz RRNBEUCIJOYMHA-IWGLNFRWSA-N 0 0 442.344 5.775 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3c(Cl)cccc3Cl)cc2o1 ZINC000011692368 556346890 /nfs/dbraw/zinc/34/68/90/556346890.db2.gz UBKYGQLDRLOYNQ-UHFFFAOYSA-N 0 0 431.702 6.999 50 0 IKAARN Cc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960472 556347578 /nfs/dbraw/zinc/34/75/78/556347578.db2.gz JJVXIMQUFLOAGF-UHFFFAOYSA-N 0 0 441.789 7.842 50 0 IKAARN CC[C@H](NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000013960305 556347618 /nfs/dbraw/zinc/34/76/18/556347618.db2.gz NNRFQKFHLQOXTL-XJVZSZGSSA-N 0 0 441.999 6.545 50 0 IKAARN CCOc1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)[nH]n2)ccc1OC(F)F ZINC000013960315 556347710 /nfs/dbraw/zinc/34/77/10/556347710.db2.gz WUBVGFWORNFFJL-UHFFFAOYSA-N 0 0 442.249 5.636 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000013960505 556347957 /nfs/dbraw/zinc/34/79/57/556347957.db2.gz SYESDGKGEWTCSE-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Fc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000013960761 556348292 /nfs/dbraw/zinc/34/82/92/556348292.db2.gz OCYLLAJZILLTTP-UHFFFAOYSA-N 0 0 449.715 7.504 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2cc(Cl)ccc2Cl)c1-c1ccc(C)c(C)c1 ZINC000013960758 556348316 /nfs/dbraw/zinc/34/83/16/556348316.db2.gz XZOPSAQOCNEGSA-UHFFFAOYSA-N 0 0 435.398 8.055 50 0 IKAARN Nc1c(-c2nc(-c3ccc(F)cc3)no2)sc2nc(C(F)(F)F)cc(-c3ccco3)c12 ZINC000013960886 556348322 /nfs/dbraw/zinc/34/83/22/556348322.db2.gz NHMXPPQCVYGMKQ-UHFFFAOYSA-N 0 0 446.385 6.013 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2ccc(F)cc2Cl)c1-c1ccc(C)c(C)c1 ZINC000013960726 556348329 /nfs/dbraw/zinc/34/83/29/556348329.db2.gz GXBFSGXSNAXGDK-UHFFFAOYSA-N 0 0 432.970 7.600 50 0 IKAARN Cn1nc(-c2ccc(Br)cc2)c(Cl)c1-c1ccc(Br)cc1 ZINC000013960816 556348375 /nfs/dbraw/zinc/34/83/75/556348375.db2.gz ALTPIWMNXFLGHZ-UHFFFAOYSA-N 0 0 426.539 5.933 50 0 IKAARN O=C([C@H]1CC(c2cccc(Br)c2)=NO1)N(Cc1ccccc1)c1ccccc1 ZINC000013961061 556348618 /nfs/dbraw/zinc/34/86/18/556348618.db2.gz PKUKIWYYVDBZKN-JOCHJYFZSA-N 0 0 435.321 5.176 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3c(Cl)cccc3Cl)c12 ZINC000013961143 556348659 /nfs/dbraw/zinc/34/86/59/556348659.db2.gz JTHVMHNBQQBFBW-UHFFFAOYSA-N 0 0 437.330 6.165 50 0 IKAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000013960977 556348684 /nfs/dbraw/zinc/34/86/84/556348684.db2.gz SWQCGLFAXOPHOE-UHFFFAOYSA-N 0 0 432.858 5.230 50 0 IKAARN CCOC(=O)c1sc(N(C(=O)c2cccc(C(F)(F)F)c2)C2CCCC2)nc1C ZINC000013961382 556348908 /nfs/dbraw/zinc/34/89/08/556348908.db2.gz ABOGNQQUSMQMGN-UHFFFAOYSA-N 0 0 426.460 5.236 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c12 ZINC000013961177 556348945 /nfs/dbraw/zinc/34/89/45/556348945.db2.gz QFEKMPVRWVNXQZ-UHFFFAOYSA-N 0 0 437.330 6.165 50 0 IKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Br)cc1F ZINC000013961460 556348986 /nfs/dbraw/zinc/34/89/86/556348986.db2.gz DZEOOQLAXGDHGR-UHFFFAOYSA-N 0 0 445.336 5.571 50 0 IKAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cc(C2CC2)on1 ZINC000011763299 556349404 /nfs/dbraw/zinc/34/94/04/556349404.db2.gz JTAPTQFCENYWQU-RUZDIDTESA-N 0 0 427.504 5.220 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032781529 556349574 /nfs/dbraw/zinc/34/95/74/556349574.db2.gz VDZORJAONYHYQF-RDPSFJRHSA-N 0 0 434.586 5.248 50 0 IKAARN COc1ccc2[nH]c(C(=O)N3CCC[C@@H](C(=O)c4cccc(OC(C)C)c4)C3)c(C)c2c1 ZINC000011771899 556350670 /nfs/dbraw/zinc/35/06/70/556350670.db2.gz YHUIMXMPMFODAE-LJQANCHMSA-N 0 0 434.536 5.007 50 0 IKAARN CC1(C)C[C@@H](NC(=O)c2cccc(Cl)c2)C[C@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC000013969894 556350740 /nfs/dbraw/zinc/35/07/40/556350740.db2.gz NZKUSTGCPFZVKU-YKSBVNFPSA-N 0 0 447.406 5.738 50 0 IKAARN CC(C)c1ccc([C@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)c2cccs2)cc1 ZINC000032779040 556352118 /nfs/dbraw/zinc/35/21/18/556352118.db2.gz BZHOCPJNIKSOII-QHCPKHFHSA-N 0 0 441.980 5.840 50 0 IKAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4n[nH]cc4-c4cccc(F)c4)C3)o2)cc1 ZINC000011785225 556353139 /nfs/dbraw/zinc/35/31/39/556353139.db2.gz FLORYUMCQCLLEK-LJQANCHMSA-N 0 0 445.494 5.504 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000014008835 556353782 /nfs/dbraw/zinc/35/37/82/556353782.db2.gz AWXURDJGBYWFFF-LJAQVGFWSA-N 0 0 444.534 6.805 50 0 IKAARN CCc1cccc(OCC(=O)Nc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cs2)c1 ZINC000014018515 556356286 /nfs/dbraw/zinc/35/62/86/556356286.db2.gz VHCDVWQPOHUHBS-UHFFFAOYSA-N 0 0 447.516 5.235 50 0 IKAARN Cc1nn(C)c(Cl)c1CN1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000011813931 556357231 /nfs/dbraw/zinc/35/72/31/556357231.db2.gz GCYGWTKFJQNNMU-UHFFFAOYSA-N 0 0 440.950 5.039 50 0 IKAARN O=C(CC1=CCCCC1)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000011814692 556357950 /nfs/dbraw/zinc/35/79/50/556357950.db2.gz RFGDBQYJQXONCO-UHFFFAOYSA-N 0 0 436.527 5.686 50 0 IKAARN O=C(c1csc(-c2cccs2)n1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000011818047 556360499 /nfs/dbraw/zinc/36/04/99/556360499.db2.gz WMIQMXCFIPMFRB-JOCHJYFZSA-N 0 0 442.569 5.536 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2Cl)cc1F ZINC000014070057 556360780 /nfs/dbraw/zinc/36/07/80/556360780.db2.gz NZDFEZSSVGNQMG-NRFANRHFSA-N 0 0 445.321 5.421 50 0 IKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(OCc2ccccc2)cc1 ZINC000032796493 556361394 /nfs/dbraw/zinc/36/13/94/556361394.db2.gz COBCJSLUXQHHMK-UHFFFAOYSA-N 0 0 447.922 5.218 50 0 IKAARN FC(F)(F)Oc1ccc(Nc2nnc(Sc3ncnc4ccsc43)s2)cc1 ZINC000014075130 556361425 /nfs/dbraw/zinc/36/14/25/556361425.db2.gz GPRRLBNOKIZIRO-UHFFFAOYSA-N 0 0 427.458 5.336 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)OCc3nnc(-c4ccccc4)o3)c2oc1-c1ccccc1 ZINC000014076304 556361744 /nfs/dbraw/zinc/36/17/44/556361744.db2.gz USLBKIZDLQWTEQ-UHFFFAOYSA-N 0 0 438.439 5.175 50 0 IKAARN O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014083851 556363469 /nfs/dbraw/zinc/36/34/69/556363469.db2.gz LQLMNKYLIPREDC-ROUUACIJSA-N 0 0 438.618 5.587 50 0 IKAARN CCn1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000011843478 556366662 /nfs/dbraw/zinc/36/66/62/556366662.db2.gz ASYLOQYZQDBFRL-QFIPXVFZSA-N 0 0 438.453 5.191 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2F)c1OC ZINC000011843755 556366698 /nfs/dbraw/zinc/36/66/98/556366698.db2.gz LORVNFHDRBTOSA-XMMPIXPASA-N 0 0 430.479 5.112 50 0 IKAARN CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1 ZINC000011852816 556367459 /nfs/dbraw/zinc/36/74/59/556367459.db2.gz UFOBDFMYJABXGK-UHFFFAOYSA-N 0 0 447.610 6.399 50 0 in-vitro IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CC1=O ZINC000014095551 556367469 /nfs/dbraw/zinc/36/74/69/556367469.db2.gz KEZJTHLKHBEQAJ-SFHVURJKSA-N 0 0 425.960 5.275 50 0 IKAARN Cc1cccc(C(=O)N2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)c1 ZINC000011844370 556367585 /nfs/dbraw/zinc/36/75/85/556367585.db2.gz RRUUEZWAZKFULF-UHFFFAOYSA-N 0 0 440.971 5.004 50 0 IKAARN Cc1c(OCC(=O)OCc2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000011866675 556368174 /nfs/dbraw/zinc/36/81/74/556368174.db2.gz GGAIYTSSKRJAPX-UHFFFAOYSA-N 0 0 428.484 5.123 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)c1ccccc1 ZINC000011866697 556368500 /nfs/dbraw/zinc/36/85/00/556368500.db2.gz GNBLUPCUPIMLBR-AREMUKBSSA-N 0 0 444.914 6.328 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000014115673 556370529 /nfs/dbraw/zinc/37/05/29/556370529.db2.gz RMXSLMRNYAJAOQ-UHFFFAOYSA-N 0 0 425.513 5.157 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014115682 556370951 /nfs/dbraw/zinc/37/09/51/556370951.db2.gz POYKKMSIHFSCOP-JTQLQIEISA-N 0 0 441.607 5.370 50 0 IKAARN O=S(=O)(c1ccccc1)N(Cc1csc(-c2ccsc2)n1)Cc1ccccc1 ZINC000014118070 556371231 /nfs/dbraw/zinc/37/12/31/556371231.db2.gz MBKJDCYOUWBYCN-UHFFFAOYSA-N 0 0 426.588 5.263 50 0 IKAARN COc1ccc(Br)cc1CN(C)C(=O)CCCCc1nc2ccccc2s1 ZINC000014118929 556371538 /nfs/dbraw/zinc/37/15/38/556371538.db2.gz TTWKOFDPWOLZOJ-UHFFFAOYSA-N 0 0 447.398 5.439 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)Nc3ccnn3C(C)C)cc12 ZINC000014128653 556373872 /nfs/dbraw/zinc/37/38/72/556373872.db2.gz YHMPYBIWZCOLFB-UHFFFAOYSA-N 0 0 448.379 5.791 50 0 IKAARN CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccoc1C ZINC000014129168 556374201 /nfs/dbraw/zinc/37/42/01/556374201.db2.gz CKYRLBKGUWBYLF-FQEVSTJZSA-N 0 0 436.512 5.478 50 0 IKAARN CCOC(=O)Cc1csc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000014138372 556375807 /nfs/dbraw/zinc/37/58/07/556375807.db2.gz VZTFSYOJUKOYFB-NRFANRHFSA-N 0 0 440.590 5.338 50 0 IKAARN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000014138987 556376107 /nfs/dbraw/zinc/37/61/07/556376107.db2.gz FQNHLLJHVVEOHN-UHFFFAOYSA-N 0 0 432.545 5.031 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4csc(N5CCCC5=O)n4)cc3)sc2c1 ZINC000014157453 556377950 /nfs/dbraw/zinc/37/79/50/556377950.db2.gz GKPXRNODNSEBRC-UHFFFAOYSA-N 0 0 448.573 5.036 50 0 IKAARN CC[C@H](NC(=O)CCc1nnc(CCCCc2ccccc2)o1)c1nc2cc(C)ccc2[nH]1 ZINC000011935459 556378302 /nfs/dbraw/zinc/37/83/02/556378302.db2.gz CNBKZKUSOMDCMY-FQEVSTJZSA-N 0 0 445.567 5.020 50 0 IKAARN Cc1nc([C@H](C)NC(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)cs1 ZINC000011935602 556378377 /nfs/dbraw/zinc/37/83/77/556378377.db2.gz DAPBMTGOMMGFHM-JTQLQIEISA-N 0 0 436.484 5.338 50 0 IKAARN COC(=O)c1ccc(-c2nc(CN3CCCC[C@@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000011936342 556378837 /nfs/dbraw/zinc/37/88/37/556378837.db2.gz UFNIMQGMHSYVGM-JOCHJYFZSA-N 0 0 448.498 5.179 50 0 IKAARN COc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1F ZINC000011937636 556379441 /nfs/dbraw/zinc/37/94/41/556379441.db2.gz UPURLDBLQUIESX-HSZRJFAPSA-N 0 0 435.499 5.015 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccccc2C)cc1 ZINC000014166412 556379741 /nfs/dbraw/zinc/37/97/41/556379741.db2.gz FUSWVTYBIWVKEO-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(c2cccc(C)n2)CC1 ZINC000011950647 556380395 /nfs/dbraw/zinc/38/03/95/556380395.db2.gz HGZKILZRECOODD-UHFFFAOYSA-N 0 0 440.547 5.468 50 0 IKAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(-c4ccccc4)c3)C2)cc1OC ZINC000011954046 556380712 /nfs/dbraw/zinc/38/07/12/556380712.db2.gz PQPIZBPPUNPRNX-QHCPKHFHSA-N 0 0 429.516 5.106 50 0 IKAARN CCOc1ccccc1OCCCC(=O)Nc1ccccc1NC(=O)Nc1ccccc1 ZINC000014170361 556381349 /nfs/dbraw/zinc/38/13/49/556381349.db2.gz GJFHJTLGHTUKCU-UHFFFAOYSA-N 0 0 433.508 5.527 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000014182956 556383025 /nfs/dbraw/zinc/38/30/25/556383025.db2.gz RYPCBNYXCXSEPU-UHFFFAOYSA-N 0 0 427.595 5.885 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2n[nH]c(COc3ccccc3C)n2)c2ccccc2)cc1 ZINC000014182912 556383065 /nfs/dbraw/zinc/38/30/65/556383065.db2.gz XBLFHQAOZMFGTD-HSZRJFAPSA-N 0 0 444.560 5.473 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1Br)c1sc2ccccc2c1Cl ZINC000011991133 556383842 /nfs/dbraw/zinc/38/38/42/556383842.db2.gz YWXVJEGAYFWKTG-UHFFFAOYSA-N 0 0 443.749 7.203 50 0 IKAARN CCc1ccc2c(c1)[C@@]1(Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000011990392 556383891 /nfs/dbraw/zinc/38/38/91/556383891.db2.gz CYJJHXZMCITFHC-RCZVLFRGSA-N 0 0 429.907 5.251 50 0 IKAARN CSc1ccccc1C(=O)NCc1nc2ccccc2c(NCCCc2ccccc2)n1 ZINC000011998675 556385004 /nfs/dbraw/zinc/38/50/04/556385004.db2.gz WXZYOMCGKHZBTP-UHFFFAOYSA-N 0 0 442.588 5.326 50 0 IKAARN COc1ccccc1N(C(C)=O)c1nc(CN[C@@H](c2cccs2)c2ccccc2)cs1 ZINC000014185106 556385140 /nfs/dbraw/zinc/38/51/40/556385140.db2.gz BUINSASKQXTFPO-HSZRJFAPSA-N 0 0 449.601 5.777 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cn1nc(SC)sc1=S)CC2 ZINC000014187264 556386301 /nfs/dbraw/zinc/38/63/01/556386301.db2.gz ZIGPDMKFDBCCCI-IBGZPJMESA-N 0 0 445.635 5.018 50 0 IKAARN O=C(c1cc(COc2cccc3cnccc32)on1)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000012023178 556386989 /nfs/dbraw/zinc/38/69/89/556386989.db2.gz KBCZVHFXKUDZGE-QGZVFWFLSA-N 0 0 433.895 5.085 50 0 IKAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000014190129 556387739 /nfs/dbraw/zinc/38/77/39/556387739.db2.gz QFOKWNFPGDORDP-OAQYLSRUSA-N 0 0 448.979 5.652 50 0 IKAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000014197879 556389426 /nfs/dbraw/zinc/38/94/26/556389426.db2.gz YWARSQLMYMQZIQ-FQEVSTJZSA-N 0 0 437.543 5.404 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000014199867 556390525 /nfs/dbraw/zinc/39/05/25/556390525.db2.gz XKUAXBXJGYAGFB-UHFFFAOYSA-N 0 0 437.849 5.389 50 0 IKAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000012040077 556390838 /nfs/dbraw/zinc/39/08/38/556390838.db2.gz QCSYFJMCAHATBA-UHFFFAOYSA-N 0 0 429.929 5.402 50 0 IKAARN O=C(OCCOc1c(Cl)cccc1Cl)c1nccnc1-c1nc2ccccc2s1 ZINC000014200218 556390927 /nfs/dbraw/zinc/39/09/27/556390927.db2.gz UOLPYSJXGGCYEI-UHFFFAOYSA-N 0 0 446.315 5.296 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nc2ccccc2o1 ZINC000012050024 556392156 /nfs/dbraw/zinc/39/21/56/556392156.db2.gz GGMCSLGSRHIWEZ-UHFFFAOYSA-N 0 0 438.487 5.041 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCc2sccc2[C@@H]1C ZINC000014202224 556392317 /nfs/dbraw/zinc/39/23/17/556392317.db2.gz XFRBUYIPFUCPOR-SFHVURJKSA-N 0 0 443.572 5.428 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCc2sccc2[C@H]1C ZINC000014202225 556392424 /nfs/dbraw/zinc/39/24/24/556392424.db2.gz XFRBUYIPFUCPOR-GOSISDBHSA-N 0 0 443.572 5.428 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCSc5ccc(F)cc54)cc3)o2)cc1 ZINC000014230532 556397302 /nfs/dbraw/zinc/39/73/02/556397302.db2.gz TVSCNLHTQOQBPO-NRFANRHFSA-N 0 0 445.519 5.818 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N(Cc1ccco1)Cc1ccccc1 ZINC000014233103 556398591 /nfs/dbraw/zinc/39/85/91/556398591.db2.gz LFFLQWVIYMCZJH-UHFFFAOYSA-N 0 0 440.499 5.140 50 0 IKAARN CCOc1ccc(-c2nc(CN[C@H](c3cccs3)c3ccccc3)cs2)cc1OC ZINC000014244628 556404448 /nfs/dbraw/zinc/40/44/48/556404448.db2.gz MICBIJYBJRBTQU-QHCPKHFHSA-N 0 0 436.602 6.158 50 0 IKAARN O=C(NCc1ccc(F)cc1Cl)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000032579166 556404786 /nfs/dbraw/zinc/40/47/86/556404786.db2.gz UZEDFUOPTALRDY-UHFFFAOYSA-N 0 0 437.858 5.038 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1Cl ZINC000032578829 556405793 /nfs/dbraw/zinc/40/57/93/556405793.db2.gz DPVIEFKDSFWLGB-UHFFFAOYSA-N 0 0 449.894 5.538 50 0 IKAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000014246962 556406893 /nfs/dbraw/zinc/40/68/93/556406893.db2.gz CYSIYTKUGWFULB-HSZRJFAPSA-N 0 0 439.581 5.643 50 0 IKAARN CCCCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)cc21 ZINC000032593479 556406998 /nfs/dbraw/zinc/40/69/98/556406998.db2.gz ZTFFFJZWUCARLO-UHFFFAOYSA-N 0 0 426.900 5.481 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2C2CCCCC2)cc1 ZINC000004346367 556407989 /nfs/dbraw/zinc/40/79/89/556407989.db2.gz ZWQUVCCKAQAIQV-UHFFFAOYSA-N 0 0 430.618 5.196 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032611706 556408884 /nfs/dbraw/zinc/40/88/84/556408884.db2.gz ANCQDDNLDDPQTB-UHFFFAOYSA-N 0 0 427.348 5.779 50 0 IKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc2ccccc2c1 ZINC000012651116 556409118 /nfs/dbraw/zinc/40/91/18/556409118.db2.gz UKHUQSHARFLSMI-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN CCC[C@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)C(=O)OCC ZINC000004357299 556409127 /nfs/dbraw/zinc/40/91/27/556409127.db2.gz XYPBQBZSUNKABV-FQEVSTJZSA-N 0 0 425.554 5.075 50 0 IKAARN CCC[C@H](Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1)C(=O)OCC ZINC000004359087 556409388 /nfs/dbraw/zinc/40/93/88/556409388.db2.gz VPLZMRGJQZSHFP-FQEVSTJZSA-N 0 0 425.554 5.075 50 0 IKAARN Cc1cc(C)cc(-c2cc(NC(=O)CSc3nnc(C4CC4)o3)n(-c3ccccc3)n2)c1 ZINC000014253557 556410184 /nfs/dbraw/zinc/41/01/84/556410184.db2.gz ZWGNIVKIRHDSAU-UHFFFAOYSA-N 0 0 445.548 5.147 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000032623579 556410688 /nfs/dbraw/zinc/41/06/88/556410688.db2.gz UMZSEYJVWVSPMZ-HNNXBMFYSA-N 0 0 449.894 5.472 50 0 IKAARN CC(=O)c1ccc(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1C ZINC000032623470 556410711 /nfs/dbraw/zinc/41/07/11/556410711.db2.gz NDCCMVYCVVJLQQ-UHFFFAOYSA-N 0 0 447.343 5.806 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c21)N1CCc2sccc2C1 ZINC000014265714 556411161 /nfs/dbraw/zinc/41/11/61/556411161.db2.gz LMWCMHJOUUHLTI-UHFFFAOYSA-N 0 0 441.578 5.236 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N(C[C@@H]3CCOC3)c3ccccc3)c2oc1-c1ccccc1 ZINC000032827482 556411406 /nfs/dbraw/zinc/41/14/06/556411406.db2.gz AEHUVVADUWZMQW-FQEVSTJZSA-N 0 0 439.511 5.452 50 0 IKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)c1 ZINC000032624645 556411444 /nfs/dbraw/zinc/41/14/44/556411444.db2.gz BIZVWFNVFLTICK-UHFFFAOYSA-N 0 0 433.489 5.225 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1 ZINC000032624640 556411504 /nfs/dbraw/zinc/41/15/04/556411504.db2.gz NFMQRWNVXQTOPV-UHFFFAOYSA-N 0 0 433.489 5.225 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nc3ccccc3nc2NCc2ccccc2)cc1Cl ZINC000032643014 556412300 /nfs/dbraw/zinc/41/23/00/556412300.db2.gz LROSZQOVZGPHMQ-UHFFFAOYSA-N 0 0 448.910 5.165 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 ZINC000012847281 556412866 /nfs/dbraw/zinc/41/28/66/556412866.db2.gz KBBWNUBRZHPWHK-QZTJIDSGSA-N 0 0 434.849 5.758 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000004385062 556413283 /nfs/dbraw/zinc/41/32/83/556413283.db2.gz PFOYFRGRENSNPB-NRFANRHFSA-N 0 0 425.532 5.312 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O ZINC000004385052 556413323 /nfs/dbraw/zinc/41/33/23/556413323.db2.gz BIORRPLBPMLISH-NRFANRHFSA-N 0 0 425.532 5.198 50 0 IKAARN CCCCCCn1c2ccccc2nc1SCc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000014357805 556414096 /nfs/dbraw/zinc/41/40/96/556414096.db2.gz NTTKBFQMVUKVEO-UHFFFAOYSA-N 0 0 449.576 5.974 50 0 IKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nc(-c2cccs2)no1 ZINC000032671895 556414424 /nfs/dbraw/zinc/41/44/24/556414424.db2.gz WWOVAHBCDBGANT-UHFFFAOYSA-N 0 0 432.530 5.098 50 0 IKAARN O=C(NC(=S)NC1CCCCCCCCCCC1)c1cncc(Br)c1 ZINC000004525312 556415626 /nfs/dbraw/zinc/41/56/26/556415626.db2.gz BFOVSGKCWOSGDC-UHFFFAOYSA-N 0 0 426.424 5.122 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2oc1-c1ccccc1 ZINC000032675978 556415910 /nfs/dbraw/zinc/41/59/10/556415910.db2.gz HLZGUOXAGXSIDI-UHFFFAOYSA-N 0 0 427.525 5.911 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1c(C)cccc1C ZINC000012937812 556416530 /nfs/dbraw/zinc/41/65/30/556416530.db2.gz ZBVSOPCEVCRKFW-MTJSOVHGSA-N 0 0 445.544 5.406 50 0 IKAARN CN(C)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(C(F)(F)F)c1 ZINC000032832463 556417514 /nfs/dbraw/zinc/41/75/14/556417514.db2.gz RSPKXMZEMFSHNE-UHFFFAOYSA-N 0 0 447.071 6.032 50 0 IKAARN O=C(Cc1csc(-c2ccccc2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000014498238 556419801 /nfs/dbraw/zinc/41/98/01/556419801.db2.gz XVEGNANIILLXMY-SFHVURJKSA-N 0 0 435.574 5.175 50 0 IKAARN COc1ccc(Br)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000012974546 556420488 /nfs/dbraw/zinc/42/04/88/556420488.db2.gz VTSGGZSMJDTWRV-ZDUSSCGKSA-N 0 0 431.355 5.087 50 0 IKAARN Cc1c2ccccc2sc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000012974955 556420935 /nfs/dbraw/zinc/42/09/35/556420935.db2.gz IXLQEOXWTXCWPS-CQSZACIVSA-N 0 0 444.482 5.291 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000012978215 556423110 /nfs/dbraw/zinc/42/31/10/556423110.db2.gz VDYUHHLIAPUCSG-AWEZNQCLSA-N 0 0 446.370 5.544 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 ZINC000032679726 556425115 /nfs/dbraw/zinc/42/51/15/556425115.db2.gz GOOXNALIBIUURT-RUZDIDTESA-N 0 0 443.572 6.309 50 0 IKAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(Cc2ccccc2)o1 ZINC000012983079 556425507 /nfs/dbraw/zinc/42/55/07/556425507.db2.gz ZPKGDKWGAQZFGH-UHFFFAOYSA-N 0 0 428.510 5.483 50 0 IKAARN CSc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012983555 556425604 /nfs/dbraw/zinc/42/56/04/556425604.db2.gz GLIJFMFPVOREJU-HNNXBMFYSA-N 0 0 445.606 5.300 50 0 IKAARN CSc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012983554 556425676 /nfs/dbraw/zinc/42/56/76/556425676.db2.gz GLIJFMFPVOREJU-OAHLLOKOSA-N 0 0 445.606 5.300 50 0 IKAARN CN1C(=O)Cc2cc(C(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)ccc21 ZINC000012983816 556425990 /nfs/dbraw/zinc/42/59/90/556425990.db2.gz GKRMJFBHNBILIG-UHFFFAOYSA-N 0 0 440.524 5.503 50 0 IKAARN COc1cc(NC(=O)c2nn(-c3ccccc3Cl)c3c2CCCC3)c(OC)cc1Cl ZINC000032682465 556427059 /nfs/dbraw/zinc/42/70/59/556427059.db2.gz WBGCHIXPSFDAII-UHFFFAOYSA-N 0 0 446.334 5.327 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)nc1 ZINC000032841585 556427309 /nfs/dbraw/zinc/42/73/09/556427309.db2.gz DCMFFXMPPGIZRE-UHFFFAOYSA-N 0 0 437.478 5.241 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)N1CC=C(c2ccccc2)CC1 ZINC000012987822 556427873 /nfs/dbraw/zinc/42/78/73/556427873.db2.gz IIHYRCRRLVJQDB-UHFFFAOYSA-N 0 0 437.568 5.705 50 0 IKAARN C[C@@H]1c2ccsc2CCN1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012993664 556429373 /nfs/dbraw/zinc/42/93/73/556429373.db2.gz JWYCQIMEJSZEJW-GFCCVEGCSA-N 0 0 427.982 5.486 50 0 IKAARN Cc1cc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)c(C)n1Cc1ccco1 ZINC000012995670 556431043 /nfs/dbraw/zinc/43/10/43/556431043.db2.gz GDQNZQCUEMHOOO-UHFFFAOYSA-N 0 0 430.533 5.532 50 0 IKAARN CCc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000004402413 556432392 /nfs/dbraw/zinc/43/23/92/556432392.db2.gz YVIZZBMCPRKMSM-UHFFFAOYSA-N 0 0 436.640 7.290 50 0 biogenic IKAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccccc4C)c(=O)c23)cc1 ZINC000012999958 556432630 /nfs/dbraw/zinc/43/26/30/556432630.db2.gz YAKBTIQONNCZET-GOSISDBHSA-N 0 0 431.561 5.009 50 0 IKAARN COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1Cl ZINC000013000634 556432779 /nfs/dbraw/zinc/43/27/79/556432779.db2.gz GGKHCWLPGCIFJX-OAQYLSRUSA-N 0 0 448.997 5.066 50 0 IKAARN Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2c(C)cccc2C)n1 ZINC000027795536 556433083 /nfs/dbraw/zinc/43/30/83/556433083.db2.gz XAGATWTVHMAHRO-UHFFFAOYSA-N 0 0 442.382 5.709 50 0 IKAARN Cc1ccc(Sc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)c(C)c1 ZINC000013001123 556433375 /nfs/dbraw/zinc/43/33/75/556433375.db2.gz XVYJJLHMQUGZKU-UHFFFAOYSA-N 0 0 434.561 5.539 50 0 IKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000013001706 556433588 /nfs/dbraw/zinc/43/35/88/556433588.db2.gz XUVKIRQJOJTTKS-UHFFFAOYSA-N 0 0 447.482 5.238 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000013006408 556435141 /nfs/dbraw/zinc/43/51/41/556435141.db2.gz VBGCBVUACYDARU-JOCHJYFZSA-N 0 0 440.540 5.683 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014709861 556435192 /nfs/dbraw/zinc/43/51/92/556435192.db2.gz HRLJIEIYIXYMFZ-UHFFFAOYSA-N 0 0 428.305 5.213 50 0 IKAARN Clc1ccc(-c2csc(N3N=C(c4ccco4)C[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000013011625 556435873 /nfs/dbraw/zinc/43/58/73/556435873.db2.gz VGNOCVPGNYINRR-HXUWFJFHSA-N 0 0 440.355 7.066 50 0 IKAARN CCOc1ccc(-c2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2C)cc1 ZINC000013015075 556437093 /nfs/dbraw/zinc/43/70/93/556437093.db2.gz GWQFDMFNVODLLP-UHFFFAOYSA-N 0 0 430.529 6.562 50 0 IKAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)OCc1c(F)cccc1Cl)c1ccccc1 ZINC000013015816 556437715 /nfs/dbraw/zinc/43/77/15/556437715.db2.gz MQEPOLSBOAORPR-DEOSSOPVSA-N 0 0 439.939 6.333 50 0 IKAARN Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)n2)n(-c2ccc(Cl)cc2)n1 ZINC000013015751 556437723 /nfs/dbraw/zinc/43/77/23/556437723.db2.gz LFOYTUHCWGWVPS-UHFFFAOYSA-N 0 0 439.302 5.927 50 0 IKAARN O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000013017143 556438310 /nfs/dbraw/zinc/43/83/10/556438310.db2.gz GELNIDVKACRMLE-UHFFFAOYSA-N 0 0 439.544 5.031 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCCC(F)(F)F)n2-c2ccc(Cl)cc2)cc1 ZINC000013016800 556438322 /nfs/dbraw/zinc/43/83/22/556438322.db2.gz SVSFEHXWGZMQEB-UHFFFAOYSA-N 0 0 439.934 6.930 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c2)cs1 ZINC000013017651 556438615 /nfs/dbraw/zinc/43/86/15/556438615.db2.gz UYDGDFFTGSDLSX-DEOSSOPVSA-N 0 0 440.524 5.825 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000013017682 556438620 /nfs/dbraw/zinc/43/86/20/556438620.db2.gz YIEHBTFDIKWLSB-UHFFFAOYSA-N 0 0 449.601 6.192 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)N1CCc3ccccc31)cc2-c1ccccc1 ZINC000013018106 556439073 /nfs/dbraw/zinc/43/90/73/556439073.db2.gz UPXNNWJUIRHAFS-UHFFFAOYSA-N 0 0 426.541 5.592 50 0 IKAARN COc1cccc(CN(C)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1OC ZINC000013019214 556439287 /nfs/dbraw/zinc/43/92/87/556439287.db2.gz LOOYSVFQRAZGMG-UHFFFAOYSA-N 0 0 431.488 5.301 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000013021156 556439612 /nfs/dbraw/zinc/43/96/12/556439612.db2.gz CAQYMWZHFJLWDY-IBGZPJMESA-N 0 0 431.517 5.190 50 0 IKAARN CCc1ccc(OCC(=O)N(CC)[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027991131 556440101 /nfs/dbraw/zinc/44/01/01/556440101.db2.gz JWTQNYBAZTVIBE-NDEPHWFRSA-N 0 0 442.559 5.756 50 0 IKAARN O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1 ZINC000027991981 556440484 /nfs/dbraw/zinc/44/04/84/556440484.db2.gz MCBHPQXVESFZIZ-UHFFFAOYSA-N 0 0 435.346 6.492 50 0 IKAARN CCN(C(=O)COc1cc(C)cc(C)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993186 556440615 /nfs/dbraw/zinc/44/06/15/556440615.db2.gz TZFONCIGXGUNMW-NDEPHWFRSA-N 0 0 442.559 5.810 50 0 IKAARN CCCOc1cccc(C(=O)N(CC)[C@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)c1 ZINC000027993263 556440619 /nfs/dbraw/zinc/44/06/19/556440619.db2.gz DPGAQICZGWPYIQ-MHZLTWQESA-N 0 0 426.560 6.517 50 0 IKAARN CCN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993086 556440646 /nfs/dbraw/zinc/44/06/46/556440646.db2.gz KZLBXFSGECKHLS-AREMUKBSSA-N 0 0 448.950 5.847 50 0 IKAARN CCN(C(=O)COc1ccc(C)c(C)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993234 556440659 /nfs/dbraw/zinc/44/06/59/556440659.db2.gz RNRFVLIZZPXXPQ-MUUNZHRXSA-N 0 0 442.559 5.810 50 0 IKAARN CCN(C(=O)COc1ccccc1Cl)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027994766 556441075 /nfs/dbraw/zinc/44/10/75/556441075.db2.gz XHLCXVAZEHPQMB-SANMLTNESA-N 0 0 432.951 6.147 50 0 IKAARN CCN(C(=O)COc1ccccc1Cl)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027994770 556441117 /nfs/dbraw/zinc/44/11/17/556441117.db2.gz XHLCXVAZEHPQMB-AREMUKBSSA-N 0 0 432.951 6.147 50 0 IKAARN O=C([C@H]1CC=CCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013031151 556442520 /nfs/dbraw/zinc/44/25/20/556442520.db2.gz GAQWBGNBQFAZQF-FUHWJXTLSA-N 0 0 447.398 5.441 50 0 IKAARN CN(C)[C@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccccc1Cl ZINC000013031431 556442564 /nfs/dbraw/zinc/44/25/64/556442564.db2.gz LSGUKRXOARVYCQ-LJQANCHMSA-N 0 0 443.403 6.380 50 0 IKAARN CCN(CC)[P@]1(=Nc2ccc(C)cc2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C ZINC000032693740 556443163 /nfs/dbraw/zinc/44/31/63/556443163.db2.gz BTKXFDILNHZZEZ-ZJXHYCNCSA-N 0 0 449.583 6.878 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000013037808 556443241 /nfs/dbraw/zinc/44/32/41/556443241.db2.gz JOTDSPHBVNCGFR-UHFFFAOYSA-N 0 0 445.522 6.441 50 0 IKAARN CCc1cccc2c(C(=O)[C@H](Sc3nnc(-c4ccc[nH]4)o3)c3ccccc3)c[nH]c21 ZINC000028131176 556444027 /nfs/dbraw/zinc/44/40/27/556444027.db2.gz SLOBCHBRRKDCTJ-JOCHJYFZSA-N 0 0 428.517 5.825 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000011027253 556444291 /nfs/dbraw/zinc/44/42/91/556444291.db2.gz KQWUZAWNDNYFPN-UHFFFAOYSA-N 0 0 428.897 5.075 50 0 IKAARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1 ZINC000032957696 556444363 /nfs/dbraw/zinc/44/43/63/556444363.db2.gz CZDQTEWGCFEQIZ-QFIPXVFZSA-N 0 0 444.510 5.085 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2S[C@@H]2CCCCCC2=O)cc1Cl ZINC000028186712 556444566 /nfs/dbraw/zinc/44/45/66/556444566.db2.gz JLTGMBBENJOOKO-HXUWFJFHSA-N 0 0 428.941 5.042 50 0 IKAARN COc1cccc(-c2nc(COC(=O)c3c4ccccc4nc4c3CCCCC4)cs2)c1 ZINC000013038879 556444722 /nfs/dbraw/zinc/44/47/22/556444722.db2.gz KNORNRCXJCCUSF-UHFFFAOYSA-N 0 0 444.556 5.993 50 0 IKAARN COc1ccccc1-c1nc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cs1 ZINC000013038928 556444726 /nfs/dbraw/zinc/44/47/26/556444726.db2.gz IJZYPDQCPHLBSY-UHFFFAOYSA-N 0 0 436.364 5.196 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000013039883 556445649 /nfs/dbraw/zinc/44/56/49/556445649.db2.gz CBAUNTPWKXQBIU-GFCCVEGCSA-N 0 0 438.424 5.820 50 0 IKAARN CCc1ccccc1Nc1nc(N)nc(CSc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000013039842 556445662 /nfs/dbraw/zinc/44/56/62/556445662.db2.gz XLZUXDADVARQEW-UHFFFAOYSA-N 0 0 440.882 5.119 50 0 IKAARN C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1Cl ZINC000013040157 556445881 /nfs/dbraw/zinc/44/58/81/556445881.db2.gz YVCKDQZECZXWPR-GFCCVEGCSA-N 0 0 430.360 5.809 50 0 IKAARN CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 ZINC000013040087 556445979 /nfs/dbraw/zinc/44/59/79/556445979.db2.gz SCMIRVZYSAGZDU-HSZRJFAPSA-N 0 0 443.374 6.204 50 0 IKAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000013040833 556446466 /nfs/dbraw/zinc/44/64/66/556446466.db2.gz IZZCKGNTPOXILW-FQEVSTJZSA-N 0 0 433.533 5.457 50 0 IKAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCCSc4ccccc43)cc12 ZINC000013040853 556446506 /nfs/dbraw/zinc/44/65/06/556446506.db2.gz OTPXSXBZTMTJQK-UHFFFAOYSA-N 0 0 437.565 5.736 50 0 IKAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3c(F)cccc3Cl)oc2c1C ZINC000028251416 556447017 /nfs/dbraw/zinc/44/70/17/556447017.db2.gz VXROHTGYLPRWAD-UHFFFAOYSA-N 0 0 439.870 5.638 50 0 IKAARN Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000013041152 556447133 /nfs/dbraw/zinc/44/71/33/556447133.db2.gz DGLQNVGNGNFEHQ-KRWDZBQOSA-N 0 0 447.387 6.251 50 0 IKAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(Br)o2)c2ccccn2)ccc1Cl ZINC000028286840 556447585 /nfs/dbraw/zinc/44/75/85/556447585.db2.gz BYTMOPLKBNNDPJ-CQSZACIVSA-N 0 0 449.732 5.400 50 0 IKAARN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N(Cc1ccco1)Cc1ccccc1F ZINC000028287179 556447634 /nfs/dbraw/zinc/44/76/34/556447634.db2.gz TXDACNXAYYVPNC-UHFFFAOYSA-N 0 0 444.289 6.828 50 0 IKAARN Cc1nc(-c2ccccn2)sc1C(=O)OCc1csc(COc2ccc(F)cc2)n1 ZINC000014807398 556447647 /nfs/dbraw/zinc/44/76/47/556447647.db2.gz LQPBQMXXWKESPY-UHFFFAOYSA-N 0 0 441.509 5.045 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 ZINC000013041612 556447854 /nfs/dbraw/zinc/44/78/54/556447854.db2.gz KKHLQEJBCIZSHM-GFCCVEGCSA-N 0 0 438.424 5.820 50 0 IKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc2)c1 ZINC000014820206 556448250 /nfs/dbraw/zinc/44/82/50/556448250.db2.gz CZSCHIJJJJWKDA-UHFFFAOYSA-N 0 0 445.993 5.764 50 0 IKAARN Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 ZINC000028288631 556448482 /nfs/dbraw/zinc/44/84/82/556448482.db2.gz SGGDEHCXUMXTID-HXUWFJFHSA-N 0 0 438.955 5.020 50 0 IKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000028288750 556448497 /nfs/dbraw/zinc/44/84/97/556448497.db2.gz XJWPSUBYHZZOOG-MHZLTWQESA-N 0 0 428.532 5.420 50 0 IKAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1sc2nc(C)cc(C)c2c1C ZINC000032863622 556448552 /nfs/dbraw/zinc/44/85/52/556448552.db2.gz NCGOKDQWIBATLP-UHFFFAOYSA-N 0 0 449.498 5.130 50 0 IKAARN Cc1cccc(NC(=O)CN(C)Cc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)c1C ZINC000013056924 556448918 /nfs/dbraw/zinc/44/89/18/556448918.db2.gz AMUFHJWFLGFLSU-UHFFFAOYSA-N 0 0 449.982 5.588 50 0 IKAARN Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2c1 ZINC000028289009 556448944 /nfs/dbraw/zinc/44/89/44/556448944.db2.gz GRNASWDDIHBRKY-OAQYLSRUSA-N 0 0 438.955 5.020 50 0 IKAARN Cc1cc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2cc1C ZINC000028288959 556448967 /nfs/dbraw/zinc/44/89/67/556448967.db2.gz DGTUAZADGIWDHV-OAQYLSRUSA-N 0 0 438.955 5.020 50 0 IKAARN Cc1cc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)n2)c(C)n1C[C@H]1CCCO1 ZINC000013058237 556449779 /nfs/dbraw/zinc/44/97/79/556449779.db2.gz RZWSEOWCVUWWNK-LJQANCHMSA-N 0 0 439.581 5.042 50 0 IKAARN Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1 ZINC000028290486 556449782 /nfs/dbraw/zinc/44/97/82/556449782.db2.gz VHDAKSPULLAPNX-UHFFFAOYSA-N 0 0 430.932 6.212 50 0 IKAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000028291939 556450288 /nfs/dbraw/zinc/45/02/88/556450288.db2.gz JWXDLPPTWQWUEX-UHFFFAOYSA-N 0 0 428.355 5.401 50 0 IKAARN COc1cccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Br)c1 ZINC000028291948 556450374 /nfs/dbraw/zinc/45/03/74/556450374.db2.gz IDKVBHOSVDEZCH-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN CCc1ccc(-c2nc(SCC(=O)Nc3c(Cl)cccc3C(F)(F)F)n[nH]2)cc1 ZINC000013062673 556451112 /nfs/dbraw/zinc/45/11/12/556451112.db2.gz XUWRKGQWLLVGTC-UHFFFAOYSA-N 0 0 440.878 5.437 50 0 IKAARN Cc1cc(C2=NNC(=Nc3cccc(C(F)(F)F)c3)SC2)c(C)n1C[C@@H]1CCCO1 ZINC000013062787 556451124 /nfs/dbraw/zinc/45/11/24/556451124.db2.gz XISHOGPEZBGGMX-KRWDZBQOSA-N 0 0 436.503 5.222 50 0 IKAARN CCn1nc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)c2ccccc2c1=O ZINC000014866755 556451843 /nfs/dbraw/zinc/45/18/43/556451843.db2.gz GWAVRPPBFPPEJI-UHFFFAOYSA-N 0 0 449.894 5.123 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(C)c1C1=NNC(=Nc2ccc(Cl)c(Cl)c2)SC1 ZINC000013063365 556452072 /nfs/dbraw/zinc/45/20/72/556452072.db2.gz WNBKKVQCWLKBQA-UHFFFAOYSA-N 0 0 425.341 5.034 50 0 IKAARN Cc1ccc2c(COC(=O)c3cc(-c4cccs4)nc4ccccc43)cc(=O)oc2c1 ZINC000013068456 556452305 /nfs/dbraw/zinc/45/23/05/556452305.db2.gz MVGLLOGGEXUWLU-UHFFFAOYSA-N 0 0 427.481 5.735 50 0 IKAARN Cc1cc(Oc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)ccc1Cl ZINC000013068638 556452608 /nfs/dbraw/zinc/45/26/08/556452608.db2.gz MPVQDRTWCAJGIC-UHFFFAOYSA-N 0 0 428.001 6.166 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1cccnc1 ZINC000028343699 556453059 /nfs/dbraw/zinc/45/30/59/556453059.db2.gz IBBVRYSEHHASIJ-UHFFFAOYSA-N 0 0 427.451 5.151 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000028380876 556453103 /nfs/dbraw/zinc/45/31/03/556453103.db2.gz WXXUFYQJTKTNSB-UHFFFAOYSA-N 0 0 442.462 5.705 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(C(C)(C)C)cc2)cc1 ZINC000028380843 556453148 /nfs/dbraw/zinc/45/31/48/556453148.db2.gz XUWMUJWGPXVSRM-UHFFFAOYSA-N 0 0 430.573 5.984 50 0 IKAARN S=c1oc(-c2sc3ccccc3c2Cl)nn1CN1CCC[C@H]1c1cccs1 ZINC000013070086 556453161 /nfs/dbraw/zinc/45/31/61/556453161.db2.gz FJBVEZGXQRRUMB-ZDUSSCGKSA-N 0 0 434.011 6.597 50 0 IKAARN COc1ccccc1NC(=O)c1nc(SCc2ccccc2C)ncc1Br ZINC000028403834 556453837 /nfs/dbraw/zinc/45/38/37/556453837.db2.gz KWJUFQZVFCIQDG-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN Cn1c(CSc2nc3ccccc3s2)nn(CN2CCC[C@H]3CCCC[C@@H]32)c1=S ZINC000013071818 556453835 /nfs/dbraw/zinc/45/38/35/556453835.db2.gz AWGRFAHOYQYNSJ-WBVHZDCISA-N 0 0 445.683 5.465 50 0 IKAARN 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O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000013114512 556467100 /nfs/dbraw/zinc/46/71/00/556467100.db2.gz ZFBQYHMYTGLBEV-UHFFFAOYSA-N 0 0 443.522 5.382 50 0 IKAARN COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccccc3)n2)ccc1O ZINC000029123138 556467764 /nfs/dbraw/zinc/46/77/64/556467764.db2.gz QUOCIDQIFWYHLB-QHKWOANTSA-N 0 0 440.499 5.642 50 0 in-vivo IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Br)cc2)o1 ZINC000013115848 556468238 /nfs/dbraw/zinc/46/82/38/556468238.db2.gz AVAUQVZLYAWONJ-GFCCVEGCSA-N 0 0 439.306 5.282 50 0 IKAARN Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cs1 ZINC000013115690 556468290 /nfs/dbraw/zinc/46/82/90/556468290.db2.gz CTKCIMKACWVBEO-CQSZACIVSA-N 0 0 436.562 5.212 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(C)n2C)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000013116238 556468964 /nfs/dbraw/zinc/46/89/64/556468964.db2.gz ZSTQPVIZDKPEOK-UHFFFAOYSA-N 0 0 430.577 5.155 50 0 IKAARN COc1ccc(CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc32)c(OC)c1OC ZINC000013117170 556469537 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COc1cc(Cl)cc(Cl)c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013512851 556510874 /nfs/dbraw/zinc/51/08/74/556510874.db2.gz NMMVKCAXDYRXFC-AUSIDOKSSA-N 0 0 425.315 6.244 50 0 IKAARN CCOC(=O)c1ccc2nc(/C=C/c3ccccc3)c(CC=C(Cl)Cl)c(Cl)c2c1 ZINC000013512984 556510893 /nfs/dbraw/zinc/51/08/93/556510893.db2.gz KRUYQAMEONNSLP-DHZHZOJOSA-N 0 0 446.761 7.097 50 0 IKAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)Cc3ccsc3)c12 ZINC000032888404 556511035 /nfs/dbraw/zinc/51/10/35/556511035.db2.gz GDHYWBKRLYLUOJ-UHFFFAOYSA-N 0 0 431.439 5.551 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000013513668 556511091 /nfs/dbraw/zinc/51/10/91/556511091.db2.gz CTUMMESNLVRHKF-NHYWBVRUSA-N 0 0 446.400 6.281 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1 ZINC000013514324 556511162 /nfs/dbraw/zinc/51/11/62/556511162.db2.gz QHTVUZONICQZCH-UHFFFAOYSA-N 0 0 439.993 6.359 50 0 IKAARN COc1ccc(-c2nc3c(c(S[C@@H](C)C(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000013514064 556511186 /nfs/dbraw/zinc/51/11/86/556511186.db2.gz BHIGDCMBXCVBEA-INIZCTEOSA-N 0 0 449.576 5.123 50 0 IKAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OC ZINC000013518288 556511370 /nfs/dbraw/zinc/51/13/70/556511370.db2.gz QFGOUAAQXADPFZ-FQEVSTJZSA-N 0 0 425.488 5.031 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1 ZINC000013518269 556511475 /nfs/dbraw/zinc/51/14/75/556511475.db2.gz WCETXBKHCDKONH-FQEVSTJZSA-N 0 0 425.488 5.138 50 0 IKAARN COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000015227326 556512464 /nfs/dbraw/zinc/51/24/64/556512464.db2.gz YYVKVFVTWZCTOS-WIOPSUGQSA-N 0 0 448.906 5.110 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000015229316 556512660 /nfs/dbraw/zinc/51/26/60/556512660.db2.gz IJLJXPRTIZQEKH-UDWIEESQSA-N 0 0 447.874 5.221 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OC)c(Br)c3)[nH]c2-c2ccccc2)cc1 ZINC000013534908 556513289 /nfs/dbraw/zinc/51/32/89/556513289.db2.gz VPLYMVFCSVJNJX-UHFFFAOYSA-N 0 0 435.321 6.190 50 0 IKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000004427916 556513489 /nfs/dbraw/zinc/51/34/89/556513489.db2.gz ZGZCPKYSCDYMOF-UHFFFAOYSA-N 0 0 428.513 5.692 50 0 IKAARN COc1ccc(-n2c(SCCOc3ccccc3C)nnc2-c2ccccc2OC)cc1 ZINC000015276296 556514173 /nfs/dbraw/zinc/51/41/73/556514173.db2.gz GZLPYRCUESCXKJ-UHFFFAOYSA-N 0 0 447.560 5.431 50 0 IKAARN CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000013548857 556514671 /nfs/dbraw/zinc/51/46/71/556514671.db2.gz ABPAPTXDPXZUCP-NRFANRHFSA-N 0 0 429.586 6.087 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000015277438 556514820 /nfs/dbraw/zinc/51/48/20/556514820.db2.gz XNNWAKOXNSZWDS-DEDYPNTBSA-N 0 0 447.874 5.221 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)O2)cc1 ZINC000015277435 556514911 /nfs/dbraw/zinc/51/49/11/556514911.db2.gz BNORMZXTZLVZAI-KGENOOAVSA-N 0 0 448.316 5.681 50 0 IKAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1 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ZINC000072295534 556519644 /nfs/dbraw/zinc/51/96/44/556519644.db2.gz QTMBHIBGTCQTHU-UHFFFAOYSA-N 0 0 427.573 5.653 50 0 IKAARN O=C(c1ccccc1)c1cccc(N2C(=O)c3ccc(-c4nc5ccccc5o4)cc3C2=O)c1 ZINC000003099983 556520404 /nfs/dbraw/zinc/52/04/04/556520404.db2.gz LKHQPXUXRYQPDZ-UHFFFAOYSA-N 0 0 444.446 5.526 50 0 IKAARN C[C@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000072295516 556520500 /nfs/dbraw/zinc/52/05/00/556520500.db2.gz BGEAKLWCPWMSNI-GOSISDBHSA-N 0 0 441.556 5.896 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000013568049 556520671 /nfs/dbraw/zinc/52/06/71/556520671.db2.gz SERSYPJWWVBNJF-UHFFFAOYSA-N 0 0 444.274 5.466 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000013568050 556520693 /nfs/dbraw/zinc/52/06/93/556520693.db2.gz KWTLWQNMRWFBGO-UHFFFAOYSA-N 0 0 444.274 5.466 50 0 IKAARN COc1cc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(C)ccc4o3)c2)cc(OC)c1OC ZINC000013568803 556521305 /nfs/dbraw/zinc/52/13/05/556521305.db2.gz DOGGTLIRESMMOR-UHFFFAOYSA-N 0 0 448.475 5.095 50 0 IKAARN O=C(Nc1nnc(CSCc2ccc(Cl)cc2)s1)Nc1cccc(Cl)c1 ZINC000013569938 556521518 /nfs/dbraw/zinc/52/15/18/556521518.db2.gz RTGAXRFTABONAI-UHFFFAOYSA-N 0 0 425.366 5.922 50 0 IKAARN O=C(N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003109644 556521922 /nfs/dbraw/zinc/52/19/22/556521922.db2.gz YJPUDPAXZVZCNE-CQSZACIVSA-N 0 0 429.583 6.212 50 0 IKAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000013574406 556524641 /nfs/dbraw/zinc/52/46/41/556524641.db2.gz PEAWUHWNJQBCHS-SANMLTNESA-N 0 0 448.607 5.232 50 0 IKAARN Cc1cccc(C)c1N1CC(=O)N(c2ccc(Br)cc2)[C@H](c2ccccc2)C1=O ZINC000015412408 556525158 /nfs/dbraw/zinc/52/51/58/556525158.db2.gz WFZWLAXJYZUBNU-HSZRJFAPSA-N 0 0 449.348 5.187 50 0 IKAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000015412587 556525444 /nfs/dbraw/zinc/52/54/44/556525444.db2.gz SHBXTTNGXUQLFX-NDEPHWFRSA-N 0 0 440.587 6.165 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412616 556525466 /nfs/dbraw/zinc/52/54/66/556525466.db2.gz QAKOIFQKTYNHOE-MHZLTWQESA-N 0 0 442.559 5.557 50 0 IKAARN COc1ccccc1N1CC(=O)N(c2ccc(C)cc2C)[C@H](/C(C)=C/c2ccccc2)C1=O ZINC000015412569 556525477 /nfs/dbraw/zinc/52/54/77/556525477.db2.gz ZQSWSQIKTQGMNT-PCLGYLGWSA-N 0 0 440.543 5.164 50 0 IKAARN COc1ccc([C@@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000015413043 556525735 /nfs/dbraw/zinc/52/57/35/556525735.db2.gz RIZLBOCTAFKXCN-AREMUKBSSA-N 0 0 428.532 5.050 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000015412881 556525740 /nfs/dbraw/zinc/52/57/40/556525740.db2.gz CSJJXBZZVVCCJI-AREMUKBSSA-N 0 0 446.978 6.201 50 0 IKAARN CCc1cccc(C)c1Nc1c(-c2cc(C(C)C)c(O)c(C(C)C)c2)nc2ncccn21 ZINC000015414252 556526269 /nfs/dbraw/zinc/52/62/69/556526269.db2.gz BDMCZCYMVKJDLX-UHFFFAOYSA-N 0 0 428.580 6.963 50 0 IKAARN CC(C)(C)[C@@H]1CC(C(=O)Oc2ccc(I)cc2)C[C@@H](C(C)(C)C)C1 ZINC000004426814 556527129 /nfs/dbraw/zinc/52/71/29/556527129.db2.gz PGRQESGPGKWUSM-HZPDHXFCSA-N 0 0 442.381 6.321 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1OC ZINC000013583664 556528659 /nfs/dbraw/zinc/52/86/59/556528659.db2.gz VVBXDMIJNKZXQD-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN COc1ccc(/C=C/c2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)cc1 ZINC000013583790 556528758 /nfs/dbraw/zinc/52/87/58/556528758.db2.gz QBXJQNIOBHIRHH-NTEUORMPSA-N 0 0 433.305 5.327 50 0 IKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000032900340 556529171 /nfs/dbraw/zinc/52/91/71/556529171.db2.gz SERQZPKBALNTEU-KRWDZBQOSA-N 0 0 440.465 5.720 50 0 IKAARN COc1cc(NC(=O)CSC(c2ccccc2)c2ccccc2)c(OC)cc1Cl ZINC000015474648 556529739 /nfs/dbraw/zinc/52/97/39/556529739.db2.gz ZJYWPWBGIUMYHB-UHFFFAOYSA-N 0 0 427.953 5.819 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@]1(c2ccc(C(C)C)cc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000013591619 556529785 /nfs/dbraw/zinc/52/97/85/556529785.db2.gz GVCVFSNRKVKXEQ-MHZLTWQESA-N 0 0 446.978 6.351 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032721392 556531928 /nfs/dbraw/zinc/53/19/28/556531928.db2.gz GLFJVCYXOHIFFW-RUZDIDTESA-N 0 0 427.544 5.734 50 0 IKAARN Cn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccccc1Cl ZINC000015512781 556532334 /nfs/dbraw/zinc/53/23/34/556532334.db2.gz QWEKLGVHSYEAJD-UHFFFAOYSA-N 0 0 444.947 5.795 50 0 IKAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OC(=O)c1ccc(F)cc1 ZINC000013607506 556533261 /nfs/dbraw/zinc/53/32/61/556533261.db2.gz LZOTZMPLDZYPLE-UHFFFAOYSA-N 0 0 448.446 5.452 50 0 IKAARN COc1ccc(/C=C/c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cc1OC ZINC000013607708 556533626 /nfs/dbraw/zinc/53/36/26/556533626.db2.gz OHLWZVIUORFEPB-XBXARRHUSA-N 0 0 433.320 5.347 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616383 556535521 /nfs/dbraw/zinc/53/55/21/556535521.db2.gz LHPLRBDMNKVZTA-ZJSXRUAMSA-N 0 0 447.332 5.510 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000013616521 556535568 /nfs/dbraw/zinc/53/55/68/556535568.db2.gz QHOASVHSWVUMND-WIOPSUGQSA-N 0 0 432.907 5.410 50 0 IKAARN C[C@]1(c2ccc(Br)cc2)Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616563 556535601 /nfs/dbraw/zinc/53/56/01/556535601.db2.gz SZRPHRMARURVQT-WIYYLYMNSA-N 0 0 425.351 5.927 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616693 556535630 /nfs/dbraw/zinc/53/56/30/556535630.db2.gz RNVLEJUOJYSRFI-FXAWDEMLSA-N 0 0 429.314 5.892 50 0 IKAARN Cc1ccccc1C(=O)Nc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000013617871 556535807 /nfs/dbraw/zinc/53/58/07/556535807.db2.gz YEWJXQJBNORDMU-UHFFFAOYSA-N 0 0 427.548 5.974 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc1Br ZINC000013617948 556535873 /nfs/dbraw/zinc/53/58/73/556535873.db2.gz TVQXSQAXQLXCJR-UHFFFAOYSA-N 0 0 439.740 6.835 50 0 IKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)cc1C ZINC000013618598 556535939 /nfs/dbraw/zinc/53/59/39/556535939.db2.gz QBQPIPQPNBQTFO-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000015581456 556535963 /nfs/dbraw/zinc/53/59/63/556535963.db2.gz CLSHLYDGCQBXJH-UHFFFAOYSA-N 0 0 449.514 5.111 50 0 IKAARN Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000013619132 556536031 /nfs/dbraw/zinc/53/60/31/556536031.db2.gz YIFZUSZGDPQJGG-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000013624173 556536386 /nfs/dbraw/zinc/53/63/86/556536386.db2.gz KQWYZFZUJNKBEL-UHFFFAOYSA-N 0 0 448.331 5.115 50 0 IKAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(CN2CCCC2=O)c1 ZINC000015605536 556537417 /nfs/dbraw/zinc/53/74/17/556537417.db2.gz HCXFRRKGTFYYHT-UHFFFAOYSA-N 0 0 443.528 5.463 50 0 IKAARN COc1cc2c(cc1NC(=O)C[C@@H]1c3ccccc3C=CN1C(C)=O)oc1ccccc12 ZINC000015603216 556537424 /nfs/dbraw/zinc/53/74/24/556537424.db2.gz QNYXKYPWBSSHES-JOCHJYFZSA-N 0 0 426.472 5.497 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032719607 556537645 /nfs/dbraw/zinc/53/76/45/556537645.db2.gz UWXQENCRPNXEMR-QGZVFWFLSA-N 0 0 443.572 6.137 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000011088969 556537832 /nfs/dbraw/zinc/53/78/32/556537832.db2.gz CRIHSCDVXIYUAO-HNNXBMFYSA-N 0 0 442.346 5.750 50 0 IKAARN O=C(Nc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3)c1ccc(F)cc1 ZINC000013628166 556537961 /nfs/dbraw/zinc/53/79/61/556537961.db2.gz FVQLLNYUBVNPCI-UHFFFAOYSA-N 0 0 439.442 6.086 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)o1 ZINC000015632725 556538966 /nfs/dbraw/zinc/53/89/66/556538966.db2.gz HGEFZGQOYUUACA-UHFFFAOYSA-N 0 0 439.320 5.256 50 0 IKAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1nc(Cl)ccc1Cl ZINC000015648085 556540550 /nfs/dbraw/zinc/54/05/50/556540550.db2.gz VJHJBNCJNMVHAU-UHFFFAOYSA-N 0 0 435.138 5.186 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21)c1ccncc1 ZINC000013641316 556542088 /nfs/dbraw/zinc/54/20/88/556542088.db2.gz WAYUHXJFBNBGAS-OAHLLOKOSA-N 0 0 426.501 5.504 50 0 IKAARN Cc1onc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1COc1cccc(C(F)(F)F)c1 ZINC000013640926 556542200 /nfs/dbraw/zinc/54/22/00/556542200.db2.gz VLLLZBCBVBQQQO-UHFFFAOYSA-N 0 0 444.331 5.852 50 0 IKAARN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCC[C@@H]1c1ccco1 ZINC000015671019 556542203 /nfs/dbraw/zinc/54/22/03/556542203.db2.gz PAEJNYFRUHTDFL-CQSZACIVSA-N 0 0 432.427 5.047 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641482 556542643 /nfs/dbraw/zinc/54/26/43/556542643.db2.gz CLWOZWWXCRGRPA-NRFANRHFSA-N 0 0 435.483 5.957 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)no2)cc1 ZINC000032622238 556542958 /nfs/dbraw/zinc/54/29/58/556542958.db2.gz VAXWWACOSHSBHE-UHFFFAOYSA-N 0 0 433.533 5.370 50 0 IKAARN Cc1c(-c2ccc(C)cc2)nn(-c2nc(C3CC3)cc(C(F)(F)F)n2)c1-c1ccc(C)cc1 ZINC000013643494 556543030 /nfs/dbraw/zinc/54/30/30/556543030.db2.gz DBBNQZUNAWANDT-UHFFFAOYSA-N 0 0 448.492 6.818 50 0 IKAARN Cc1ccccc1C(=O)Nc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl ZINC000015686633 556543301 /nfs/dbraw/zinc/54/33/01/556543301.db2.gz VRCURBXMIHXXAD-UHFFFAOYSA-N 0 0 433.722 6.460 50 0 IKAARN Clc1ccc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000013646330 556543886 /nfs/dbraw/zinc/54/38/86/556543886.db2.gz WTXMBZQMHZRFFB-UHFFFAOYSA-N 0 0 434.153 8.024 50 0 IKAARN O=C([C@@H]1CCCC[C@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904472 556543912 /nfs/dbraw/zinc/54/39/12/556543912.db2.gz YKBICSCPQRCOBS-NHCUHLMSSA-N 0 0 441.600 6.367 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015724809 556546033 /nfs/dbraw/zinc/54/60/33/556546033.db2.gz RMLWAIREAZOUNW-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000015724993 556546305 /nfs/dbraw/zinc/54/63/05/556546305.db2.gz UMUOWSUCWBFGMD-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000015724992 556546309 /nfs/dbraw/zinc/54/63/09/556546309.db2.gz UMUOWSUCWBFGMD-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000015724884 556546321 /nfs/dbraw/zinc/54/63/21/556546321.db2.gz BXAGKXRZIQEAKW-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000015724894 556546350 /nfs/dbraw/zinc/54/63/50/556546350.db2.gz QBSGBLOHFVUAEP-AREMUKBSSA-N 0 0 425.532 5.919 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000015725140 556546530 /nfs/dbraw/zinc/54/65/30/556546530.db2.gz PFKHZOZXHAZHJA-VWLOTQADSA-N 0 0 447.941 6.757 50 0 IKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCCOc2ccccc2)cc1 ZINC000013659503 556546580 /nfs/dbraw/zinc/54/65/80/556546580.db2.gz XAVNTIDPKIVMBQ-UHFFFAOYSA-N 0 0 428.576 6.772 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000013659062 556546608 /nfs/dbraw/zinc/54/66/08/556546608.db2.gz KRCIVRSCWDMSLF-QHCPKHFHSA-N 0 0 426.604 7.164 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]3c1ccc(F)cc1 ZINC000015725378 556546848 /nfs/dbraw/zinc/54/68/48/556546848.db2.gz NOURSWIREMMNND-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000015725222 556546853 /nfs/dbraw/zinc/54/68/53/556546853.db2.gz USTLHFJGXVNWMU-AREMUKBSSA-N 0 0 443.978 6.926 50 0 IKAARN COC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000013660652 556546947 /nfs/dbraw/zinc/54/69/47/556546947.db2.gz QJLXNCZTQVZRSH-ACCUITESSA-N 0 0 437.517 5.179 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000015725517 556547106 /nfs/dbraw/zinc/54/71/06/556547106.db2.gz OMMOWPFLJOJWPW-HHHXNRCGSA-N 0 0 439.559 6.227 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000015725515 556547161 /nfs/dbraw/zinc/54/71/61/556547161.db2.gz OMMOWPFLJOJWPW-MHZLTWQESA-N 0 0 439.559 6.227 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)ccc1C)[C@@H]3c1ccc(C)cc1 ZINC000015725458 556547174 /nfs/dbraw/zinc/54/71/74/556547174.db2.gz BSIRGSUMCUFCGP-HHHXNRCGSA-N 0 0 439.559 6.281 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1)[C@H]3c1ccc(C)cc1 ZINC000015725509 556547191 /nfs/dbraw/zinc/54/71/91/556547191.db2.gz PBMBHWFTBULHNH-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN CCCOc1ccc(Cn2c(COc3cc(C)ccc3C(C)C)nc3ccccc32)cc1 ZINC000004575334 556547561 /nfs/dbraw/zinc/54/75/61/556547561.db2.gz HFEZWVRUYVVQHM-UHFFFAOYSA-N 0 0 428.576 6.884 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)N2CCC3(C2)CCOCC3)n1 ZINC000072304603 556548738 /nfs/dbraw/zinc/54/87/38/556548738.db2.gz NFBKCKPXOLPBIX-UHFFFAOYSA-N 0 0 428.579 5.133 50 0 IKAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000015768874 556549851 /nfs/dbraw/zinc/54/98/51/556549851.db2.gz LHEXXZICHSJEJV-QGZVFWFLSA-N 0 0 448.544 5.401 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997091 556550812 /nfs/dbraw/zinc/55/08/12/556550812.db2.gz BDFIUILPGVNVSC-DEOSSOPVSA-N 0 0 448.592 5.827 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1C)N(C(C)=O)c1ccccc1-2 ZINC000032997149 556550835 /nfs/dbraw/zinc/55/08/35/556550835.db2.gz KBUILYRCGVYYJT-QHCPKHFHSA-N 0 0 434.565 5.492 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(=O)CC)c1ccccc1-2 ZINC000032997069 556550853 /nfs/dbraw/zinc/55/08/53/556550853.db2.gz NCIDQLRMFGYNCC-FQEVSTJZSA-N 0 0 426.567 5.327 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997144 556550898 /nfs/dbraw/zinc/55/08/98/556550898.db2.gz RNFPNQHTKDATTK-OAQYLSRUSA-N 0 0 440.956 5.528 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@H]1c1cccc(F)c1F ZINC000032997252 556551104 /nfs/dbraw/zinc/55/11/04/556551104.db2.gz SDZUEITTXJZTSY-NRFANRHFSA-N 0 0 442.491 5.153 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997483 556551393 /nfs/dbraw/zinc/55/13/93/556551393.db2.gz ULTMWDLHEMEHIA-FQEVSTJZSA-N 0 0 426.929 5.057 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(CC)cc1 ZINC000032997321 556551396 /nfs/dbraw/zinc/55/13/96/556551396.db2.gz BREZOHXGXBDNKQ-XMMPIXPASA-N 0 0 448.592 5.683 50 0 IKAARN CCc1ccc([C@@H]2Oc3nc(SCC(C)C)nnc3-c3ccccc3N2C(C)=O)cc1 ZINC000032997403 556551408 /nfs/dbraw/zinc/55/14/08/556551408.db2.gz ZJEHJGDVTCCULY-QHCPKHFHSA-N 0 0 434.565 5.293 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997456 556551410 /nfs/dbraw/zinc/55/14/10/556551410.db2.gz HIUPITKOQDHFHY-JOCHJYFZSA-N 0 0 438.528 5.322 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997489 556551415 /nfs/dbraw/zinc/55/14/15/556551415.db2.gz BZUWGJLZOZKDOO-NRFANRHFSA-N 0 0 438.578 5.125 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccccc1Cl ZINC000032997379 556551417 /nfs/dbraw/zinc/55/14/17/556551417.db2.gz UIWJLCZTYGJPQO-NRFANRHFSA-N 0 0 440.956 5.384 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cc(C)ccc1C ZINC000032997398 556551476 /nfs/dbraw/zinc/55/14/76/556551476.db2.gz LGDLAUMFJKVXGN-HSZRJFAPSA-N 0 0 434.565 5.348 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997644 556551688 /nfs/dbraw/zinc/55/16/88/556551688.db2.gz FXLLYVZOTCHZTK-XMMPIXPASA-N 0 0 448.592 5.800 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997639 556551765 /nfs/dbraw/zinc/55/17/65/556551765.db2.gz DKTMEMACUQVYLC-DEOSSOPVSA-N 0 0 448.592 5.800 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cccc(C)c1 ZINC000032997751 556551920 /nfs/dbraw/zinc/55/19/20/556551920.db2.gz CUTPAVCFJFHUQE-DEOSSOPVSA-N 0 0 448.592 5.656 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1ccc(CC)cc1-2 ZINC000032997786 556551941 /nfs/dbraw/zinc/55/19/41/556551941.db2.gz IZQYLRJZIPTNNA-HSZRJFAPSA-N 0 0 434.565 5.437 50 0 IKAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C)cc1 ZINC000032998130 556552259 /nfs/dbraw/zinc/55/22/59/556552259.db2.gz JQVLWTWYPLFYTK-HXUWFJFHSA-N 0 0 426.929 5.057 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998262 556552277 /nfs/dbraw/zinc/55/22/77/556552277.db2.gz SVTXZQFITXNHNZ-FQEVSTJZSA-N 0 0 444.944 5.430 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3N(C(=O)OC(C)(C)C)C[C@@H]2C)c(Cl)c1 ZINC000072305357 556552936 /nfs/dbraw/zinc/55/29/36/556552936.db2.gz STWNFRWTXKCJDM-KRWDZBQOSA-N 0 0 443.975 5.546 50 0 IKAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1F ZINC000032906624 556553495 /nfs/dbraw/zinc/55/34/95/556553495.db2.gz XZLHYUUETJYFBU-UHFFFAOYSA-N 0 0 436.914 5.199 50 0 IKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(Br)cc1 ZINC000033114935 556554306 /nfs/dbraw/zinc/55/43/06/556554306.db2.gz BNVYNXDTEWRJDY-IBGZPJMESA-N 0 0 434.293 5.019 50 0 IKAARN O=C(NC1CCCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033115379 556554876 /nfs/dbraw/zinc/55/48/76/556554876.db2.gz GAXDLDOVVUITFS-UHFFFAOYSA-N 0 0 447.000 5.011 50 0 IKAARN Cc1ccc(-c2nc(CCNC(=O)c3sc4cc(C)ccc4c3Cl)cs2)cc1 ZINC000015832792 556554917 /nfs/dbraw/zinc/55/49/17/556554917.db2.gz JAXHAEJZXLXGOX-UHFFFAOYSA-N 0 0 426.994 6.268 50 0 IKAARN Cc1cc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)ccc1Cl ZINC000015833662 556555290 /nfs/dbraw/zinc/55/52/90/556555290.db2.gz NQEWZKCTMDLXQU-UHFFFAOYSA-N 0 0 437.927 5.380 50 0 IKAARN COc1cc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)cc(OC)c1OC ZINC000015835568 556555331 /nfs/dbraw/zinc/55/53/31/556555331.db2.gz NXOJMVJWZGEDQJ-QFIPXVFZSA-N 0 0 436.533 5.117 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccc(F)c2)cc1 ZINC000033115654 556555703 /nfs/dbraw/zinc/55/57/03/556555703.db2.gz PEJKDJYHPSGGRI-RUZDIDTESA-N 0 0 432.520 5.219 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033115638 556555707 /nfs/dbraw/zinc/55/57/07/556555707.db2.gz LTRYDZJTGDBSQO-RUZDIDTESA-N 0 0 448.975 5.733 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)c2cccnc2)CCCC4)c1 ZINC000033115700 556555717 /nfs/dbraw/zinc/55/57/17/556555717.db2.gz AKSDPKXRYXQYMV-RUZDIDTESA-N 0 0 439.584 5.866 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000033115644 556555732 /nfs/dbraw/zinc/55/57/32/556555732.db2.gz UNIVNDNUIMKECA-HHHXNRCGSA-N 0 0 442.584 5.696 50 0 IKAARN O=C1C[C@@H](c2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)no2)CN1c1ccccc1 ZINC000033115886 556555739 /nfs/dbraw/zinc/55/57/39/556555739.db2.gz MELIHTNYIVJOKB-QGZVFWFLSA-N 0 0 431.879 5.703 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000033115643 556555778 /nfs/dbraw/zinc/55/57/78/556555778.db2.gz UNIVNDNUIMKECA-MHZLTWQESA-N 0 0 442.584 5.696 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)Nc2nnc(-c3ccccc3)s2)C1 ZINC000072305829 556556653 /nfs/dbraw/zinc/55/66/53/556556653.db2.gz IWAYGRYDTWKRPZ-SFHVURJKSA-N 0 0 446.580 5.547 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4sc(C)nc4C)o3)cs2)cc1OC ZINC000032905936 556556986 /nfs/dbraw/zinc/55/69/86/556556986.db2.gz MTERUNJNXSNCIT-UHFFFAOYSA-N 0 0 446.579 5.243 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)cc(OC)c1 ZINC000033257945 556557000 /nfs/dbraw/zinc/55/70/00/556557000.db2.gz ZMVRNNJHXIVBJS-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc1OC ZINC000015846541 556557416 /nfs/dbraw/zinc/55/74/16/556557416.db2.gz FJEFRCCYSAKBCP-UHFFFAOYSA-N 0 0 430.504 5.135 50 0 IKAARN Cc1cc(C)cc(NC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000033266238 556557635 /nfs/dbraw/zinc/55/76/35/556557635.db2.gz ZVOSJDCYQPJWKH-NRFANRHFSA-N 0 0 432.911 5.918 50 0 IKAARN COc1cc(C=C2SC(=O)NC2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000015857193 556557857 /nfs/dbraw/zinc/55/78/57/556557857.db2.gz FUGAZIFDRANJGW-QNGOZBTKSA-N 0 0 441.549 5.165 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@@H]3c3ccncc3)cc12 ZINC000032907454 556559203 /nfs/dbraw/zinc/55/92/03/556559203.db2.gz DBNNBOAJWBNXNN-HXUWFJFHSA-N 0 0 436.968 5.480 50 0 IKAARN Cc1cccc(C(=O)Nc2ccccc2Sc2nc(Cl)nn2CCc2ccccc2)c1 ZINC000015869084 556559584 /nfs/dbraw/zinc/55/95/84/556559584.db2.gz KAKZEZJLXJFXPN-UHFFFAOYSA-N 0 0 448.979 5.886 50 0 IKAARN COc1cc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc(OC)c1OC ZINC000015869286 556559949 /nfs/dbraw/zinc/55/99/49/556559949.db2.gz SSGLFBBCWMEGRW-UHFFFAOYSA-N 0 0 446.463 5.073 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-n2cccc2)c1C ZINC000015881929 556560546 /nfs/dbraw/zinc/56/05/46/556560546.db2.gz HUTKMIBTNUPABO-UHFFFAOYSA-N 0 0 437.956 5.059 50 0 IKAARN C[C@@H](c1ccccc1Cl)N(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000072307680 556562319 /nfs/dbraw/zinc/56/23/19/556562319.db2.gz UWEPVEKVGOFHDM-NSHDSACASA-N 0 0 443.256 5.151 50 0 IKAARN CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1 ZINC000072307382 556562356 /nfs/dbraw/zinc/56/23/56/556562356.db2.gz DUUCHJNVWAUUPV-GOSISDBHSA-N 0 0 430.957 5.644 50 0 IKAARN CC(C)c1oc([C@H]2CCCN2S(=O)(=O)N(C)C2CCCCC2)nc1-c1ccccc1 ZINC000072307384 556562390 /nfs/dbraw/zinc/56/23/90/556562390.db2.gz OMFXVXZAGILXCP-HXUWFJFHSA-N 0 0 431.602 5.111 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 ZINC000015906023 556562536 /nfs/dbraw/zinc/56/25/36/556562536.db2.gz JFKHTAOEQKQUED-LPMGRZKESA-N 0 0 439.005 6.900 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000015906024 556562607 /nfs/dbraw/zinc/56/26/07/556562607.db2.gz JFKHTAOEQKQUED-NSBIUJCASA-N 0 0 439.005 6.900 50 0 IKAARN O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000015906568 556562862 /nfs/dbraw/zinc/56/28/62/556562862.db2.gz UUENVKHVYBAYBA-COMANROMSA-N 0 0 440.518 6.028 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000015910548 556562908 /nfs/dbraw/zinc/56/29/08/556562908.db2.gz BTHGGKYAWTZMCO-CALCHBBNSA-N 0 0 430.593 5.471 50 0 IKAARN O=C(CCc1nc(-c2ccco2)no1)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072307969 556563345 /nfs/dbraw/zinc/56/33/45/556563345.db2.gz UMQCJDBBWZVGBI-HNNXBMFYSA-N 0 0 434.292 5.128 50 0 IKAARN O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(-c2ncccn2)n1 ZINC000072307973 556563368 /nfs/dbraw/zinc/56/33/68/556563368.db2.gz ZZACNJJOVIEYPP-LBPRGKRZSA-N 0 0 433.333 5.079 50 0 IKAARN CN(c1ccc(Oc2ncnc3cc(Cl)ccc32)cc1)S(=O)(=O)c1ccccc1F ZINC000032907679 556563449 /nfs/dbraw/zinc/56/34/49/556563449.db2.gz GKYFFVHWXRTPEF-UHFFFAOYSA-N 0 0 443.887 5.040 50 0 IKAARN CCOc1ccc(CC(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1 ZINC000072308041 556563737 /nfs/dbraw/zinc/56/37/37/556563737.db2.gz TXWOPIGOJSUPGL-UHFFFAOYSA-N 0 0 437.927 5.242 50 0 IKAARN C[C@@H](NC(=O)CNC(c1cccs1)c1cccs1)c1ccc(Br)cc1 ZINC000072308150 556564046 /nfs/dbraw/zinc/56/40/46/556564046.db2.gz HSVWUCVZJVWMIG-CYBMUJFWSA-N 0 0 435.412 5.129 50 0 IKAARN Cc1cccc(C)c1-n1c(=O)c2ccccc2nc1SCc1noc(-c2ccsc2)n1 ZINC000032908187 556564184 /nfs/dbraw/zinc/56/41/84/556564184.db2.gz WEOHBRJLVKFXTC-UHFFFAOYSA-N 0 0 446.557 5.406 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccccc3F)cc1)=NCC2 ZINC000033667206 556566750 /nfs/dbraw/zinc/56/67/50/556566750.db2.gz NIQKJDMAJZQJDV-UHFFFAOYSA-N 0 0 433.483 5.075 50 0 IKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)C=Cc4ccco4)cc2)N3)C1 ZINC000015945391 556566812 /nfs/dbraw/zinc/56/68/12/556566812.db2.gz LTXUMWFDKFJDBZ-AARKYKDCSA-N 0 0 448.544 5.904 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C(=O)Nc2ccccc2)C1 ZINC000015946057 556567019 /nfs/dbraw/zinc/56/70/19/556567019.db2.gz QZCLYQFWZFPSHH-QGZVFWFLSA-N 0 0 439.625 5.186 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000015945752 556567049 /nfs/dbraw/zinc/56/70/49/556567049.db2.gz VORJTHCALATLOZ-NSPYISDASA-N 0 0 432.973 6.100 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000015945750 556567053 /nfs/dbraw/zinc/56/70/53/556567053.db2.gz VORJTHCALATLOZ-WLRWDXFRSA-N 0 0 432.973 6.100 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(O)c(OC)c2)N3)C1 ZINC000015946211 556567118 /nfs/dbraw/zinc/56/71/18/556567118.db2.gz CNQLMTYELNUCMS-XCLFUZPHSA-N 0 0 430.570 5.441 50 0 IKAARN CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)CC)C3 ZINC000015946158 556567122 /nfs/dbraw/zinc/56/71/22/556567122.db2.gz RBTXLRLOHAHMCJ-BXKMTCNYSA-N 0 0 448.632 7.270 50 0 IKAARN Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(Nc3ccc(Br)cc3)c12 ZINC000032960474 556567826 /nfs/dbraw/zinc/56/78/26/556567826.db2.gz CGZXAKDWRJNQGL-UHFFFAOYSA-N 0 0 429.268 5.822 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000015947585 556568328 /nfs/dbraw/zinc/56/83/28/556568328.db2.gz DIEFXTGMTRFZPK-FPTDNZKUSA-N 0 0 438.980 6.534 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000015947587 556568371 /nfs/dbraw/zinc/56/83/71/556568371.db2.gz DIEFXTGMTRFZPK-JLCFBVMHSA-N 0 0 438.980 6.534 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000015947589 556568374 /nfs/dbraw/zinc/56/83/74/556568374.db2.gz DIEFXTGMTRFZPK-RCDICMHDSA-N 0 0 438.980 6.534 50 0 IKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)ccc1OCc1ccccc1 ZINC000015947663 556568634 /nfs/dbraw/zinc/56/86/34/556568634.db2.gz SUSJHEJVLLRLIP-WNSKOXEYSA-N 0 0 434.561 5.889 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947830 556568699 /nfs/dbraw/zinc/56/86/99/556568699.db2.gz CCBMFYYGXZOHHN-GIGQVBGESA-N 0 0 433.360 6.869 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947832 556568705 /nfs/dbraw/zinc/56/87/05/556568705.db2.gz CCBMFYYGXZOHHN-APBUJDDRSA-N 0 0 433.360 6.869 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@H](C)C5)cc2)cc1 ZINC000015947840 556568906 /nfs/dbraw/zinc/56/89/06/556568906.db2.gz GCNAASKWBQDLSQ-OYHNWAKOSA-N 0 0 432.545 5.829 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000033926511 556569347 /nfs/dbraw/zinc/56/93/47/556569347.db2.gz TUUJJXLBOOVUJA-IFMALSPDSA-N 0 0 445.788 6.552 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1 ZINC000032960565 556569404 /nfs/dbraw/zinc/56/94/04/556569404.db2.gz MLERDTVFUULIJC-UHFFFAOYSA-N 0 0 431.539 6.371 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000032960563 556570451 /nfs/dbraw/zinc/57/04/51/556570451.db2.gz DNHUIIZVNBWGAG-UHFFFAOYSA-N 0 0 431.539 6.371 50 0 IKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000015975097 556570646 /nfs/dbraw/zinc/57/06/46/556570646.db2.gz RAZDPLMGZXUJGO-CQSZACIVSA-N 0 0 432.373 5.891 50 0 IKAARN CN1c2ccc(Cl)cc2[C@H]2c3ccccc3CCN2[C@@H]1c1ccc(Br)cc1 ZINC000015981517 556570907 /nfs/dbraw/zinc/57/09/07/556570907.db2.gz AMGMZTUVAGELMP-DHIUTWEWSA-N 0 0 439.784 6.199 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)nc2ccccc21 ZINC000032960783 556571091 /nfs/dbraw/zinc/57/10/91/556571091.db2.gz MTVKLNMJOZGZBU-UHFFFAOYSA-N 0 0 437.499 5.200 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000034138858 556571133 /nfs/dbraw/zinc/57/11/33/556571133.db2.gz OPMFUKIIEZRFFM-BVAGGSTKSA-N 0 0 430.504 5.345 50 0 IKAARN CCCc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1 ZINC000015989347 556571438 /nfs/dbraw/zinc/57/14/38/556571438.db2.gz MQSSSHWRFSJANM-UHFFFAOYSA-N 0 0 436.559 5.212 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000015988940 556571468 /nfs/dbraw/zinc/57/14/68/556571468.db2.gz WTDXSHNXEDCIFK-DLBZAZTESA-N 0 0 433.343 5.027 50 0 IKAARN CC(=O)N(c1nc(CN(C2CC2)[C@H]2CCCOc3cc(C)c(C)cc32)cs1)C1CC1 ZINC000072309432 556571481 /nfs/dbraw/zinc/57/14/81/556571481.db2.gz JJONUXMINOHGGJ-QFIPXVFZSA-N 0 0 425.598 5.154 50 0 IKAARN CCOc1cc(CNC(=O)c2cc(C)nc3c(C)cc(C)cc23)cc(OCC)c1OCC ZINC000032961554 556572190 /nfs/dbraw/zinc/57/21/90/556572190.db2.gz FNDFZLSFZWGPBA-UHFFFAOYSA-N 0 0 436.552 5.286 50 0 IKAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000016001410 556572736 /nfs/dbraw/zinc/57/27/36/556572736.db2.gz FIKTZYPOVSZRHM-CQSZACIVSA-N 0 0 447.985 5.473 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 ZINC000002848404 556572782 /nfs/dbraw/zinc/57/27/82/556572782.db2.gz JKFJOGRDVPVUMJ-GFCCVEGCSA-N 0 0 444.274 6.029 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1nc(Cl)ccc1Cl)CC2 ZINC000016002347 556573065 /nfs/dbraw/zinc/57/30/65/556573065.db2.gz MIROARLMPSCCBE-JOCHJYFZSA-N 0 0 443.330 5.194 50 0 IKAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cccnc1Sc1ccccc1 ZINC000016008928 556573340 /nfs/dbraw/zinc/57/33/40/556573340.db2.gz XHMULKLYAYLHFW-UHFFFAOYSA-N 0 0 443.322 5.019 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 ZINC000001104446 556573728 /nfs/dbraw/zinc/57/37/28/556573728.db2.gz UQAXNFOQNQJSKN-UHFFFAOYSA-N 0 0 426.563 5.592 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000001160626 556574165 /nfs/dbraw/zinc/57/41/65/556574165.db2.gz LAUOGLJQZHWFDA-UHFFFAOYSA-N 0 0 445.482 5.209 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F ZINC000001188771 556574428 /nfs/dbraw/zinc/57/44/28/556574428.db2.gz ODXNPEXRSOIAFX-UHFFFAOYSA-N 0 0 434.858 5.169 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccccc2)c(Br)c1)c1cc2ccccc2o1 ZINC000001216712 556574441 /nfs/dbraw/zinc/57/44/41/556574441.db2.gz KNAKBUNYPVSOET-UHFFFAOYSA-N 0 0 435.277 5.700 50 0 IKAARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3Cl)N2C1=O ZINC000002496385 556575141 /nfs/dbraw/zinc/57/51/41/556575141.db2.gz WLAARRZSMUKBKP-WIYYLYMNSA-N 0 0 442.346 5.553 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2nc4ccccc4[nH]2)n1Cc1ccco1)CCCC3 ZINC000016383491 556575496 /nfs/dbraw/zinc/57/54/96/556575496.db2.gz UAJSXPUCBOPFDH-UHFFFAOYSA-N 0 0 448.573 5.147 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)Nc1ccc(C(C)=O)cc1)cc2-c1cccnc1 ZINC000032910430 556575606 /nfs/dbraw/zinc/57/56/06/556575606.db2.gz MQAPBHYVPLTOBH-UHFFFAOYSA-N 0 0 443.528 5.239 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1coc(-c2ccccc2)n1)C(F)(F)F ZINC000072310743 556576727 /nfs/dbraw/zinc/57/67/27/556576727.db2.gz XKNOWOLUMVPHOX-HXUWFJFHSA-N 0 0 441.409 5.605 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000016033388 556576801 /nfs/dbraw/zinc/57/68/01/556576801.db2.gz OTNJZKCUWMEFEG-IAQYHMDHSA-N 0 0 446.400 6.281 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000003004594 556578565 /nfs/dbraw/zinc/57/85/65/556578565.db2.gz OLHDAHRKWUNUOV-UHFFFAOYSA-N 0 0 435.531 5.374 50 0 IKAARN COc1ccccc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003004937 556578590 /nfs/dbraw/zinc/57/85/90/556578590.db2.gz DJKYVYJZLSKCMB-UHFFFAOYSA-N 0 0 431.495 6.225 50 0 IKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1oc2ccccc2c1CSC1CCCCC1 ZINC000016044073 556578659 /nfs/dbraw/zinc/57/86/59/556578659.db2.gz SLQKTCCDGUMUFK-UHFFFAOYSA-N 0 0 447.522 6.948 50 0 IKAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3Cl)N2C1=O ZINC000004012443 556578888 /nfs/dbraw/zinc/57/88/88/556578888.db2.gz WLAARRZSMUKBKP-RXVVDRJESA-N 0 0 442.346 5.553 50 0 IKAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1Cl ZINC000023549802 556579744 /nfs/dbraw/zinc/57/97/44/556579744.db2.gz IGBNMVGTTFLXQD-UHFFFAOYSA-N 0 0 449.721 6.160 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cc(C)cc(C(C)C)c2)cc1 ZINC000032910142 556580130 /nfs/dbraw/zinc/58/01/30/556580130.db2.gz ZRGPESWFDWYHAS-UHFFFAOYSA-N 0 0 432.520 5.397 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3ccccc3F)cc2Cl)n1 ZINC000034713064 556581182 /nfs/dbraw/zinc/58/11/82/556581182.db2.gz GCJPDEKFMAOHBH-UHFFFAOYSA-N 0 0 442.899 5.705 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4cccc(C)c4)cc3F)n2)cc1 ZINC000034713272 556581531 /nfs/dbraw/zinc/58/15/31/556581531.db2.gz OTCMYTXGIUHVQJ-UHFFFAOYSA-N 0 0 448.519 6.098 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1N1CCCN([C@H](C)c2ccccc2)C1=O)c1ccccc1 ZINC000034735136 556581670 /nfs/dbraw/zinc/58/16/70/556581670.db2.gz DPPUCHRMZKSSST-ZJSXRUAMSA-N 0 0 441.575 6.212 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1 ZINC000034723266 556581684 /nfs/dbraw/zinc/58/16/84/556581684.db2.gz ZHDOJHIALUPVDS-UHFFFAOYSA-N 0 0 434.483 5.888 50 0 IKAARN O=C(Nc1ccccc1F)c1csc(-c2ccccc2OCc2cc(F)ccc2F)n1 ZINC000034723248 556581720 /nfs/dbraw/zinc/58/17/20/556581720.db2.gz VYZYPPVIFFVFEX-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2F)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739782 556581960 /nfs/dbraw/zinc/58/19/60/556581960.db2.gz MGLHRVOKDFEZRF-UHFFFAOYSA-N 0 0 447.510 5.227 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)c1 ZINC000034736739 556581979 /nfs/dbraw/zinc/58/19/79/556581979.db2.gz QSFLOZQLOGUCJD-UHFFFAOYSA-N 0 0 445.538 5.456 50 0 IKAARN COc1cccc(P(C(C)C)C(C)C)c1-c1c(OC)cccc1P(C(C)C)C(C)C ZINC000034746440 556582001 /nfs/dbraw/zinc/58/20/01/556582001.db2.gz HLLUWVKDDQIKNF-UHFFFAOYSA-N 0 0 446.552 7.219 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccccc3F)[C@H](C)C1)=N2 ZINC000034812774 556582907 /nfs/dbraw/zinc/58/29/07/556582907.db2.gz NBAVTPCPVASPTI-GOSISDBHSA-N 0 0 429.495 5.165 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)CC3CCCC3)[C@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813421 556583050 /nfs/dbraw/zinc/58/30/50/556583050.db2.gz JTTVJUARRVWQIJ-LJQANCHMSA-N 0 0 447.579 5.301 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000016115758 556584165 /nfs/dbraw/zinc/58/41/65/556584165.db2.gz NLATVZFNLSTFNB-NTEUORMPSA-N 0 0 437.724 5.972 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016156127 556585748 /nfs/dbraw/zinc/58/57/48/556585748.db2.gz HCXNFNSWADKBFH-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000072311547 556586093 /nfs/dbraw/zinc/58/60/93/556586093.db2.gz FUESGLIYBZHQFR-OAQYLSRUSA-N 0 0 436.581 5.150 50 0 IKAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 ZINC000072311548 556586334 /nfs/dbraw/zinc/58/63/34/556586334.db2.gz FUESGLIYBZHQFR-NRFANRHFSA-N 0 0 436.581 5.150 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccc(OC)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000016176387 556587001 /nfs/dbraw/zinc/58/70/01/556587001.db2.gz MIYROIRQNGWDAS-JOCHJYFZSA-N 0 0 444.531 5.146 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000016176382 556587015 /nfs/dbraw/zinc/58/70/15/556587015.db2.gz WRQKWKBQJBCBLA-NRFANRHFSA-N 0 0 432.495 5.276 50 0 IKAARN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000060248475 556588587 /nfs/dbraw/zinc/58/85/87/556588587.db2.gz VOBAPIYWRRQYHX-XMMPIXPASA-N 0 0 432.589 5.853 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)CSCc1c(Cl)cccc1Cl)CCCC2 ZINC000016189918 556588753 /nfs/dbraw/zinc/58/87/53/556588753.db2.gz KEPYCLLQLZHYBJ-UHFFFAOYSA-N 0 0 444.405 5.592 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 ZINC000016192965 556589042 /nfs/dbraw/zinc/58/90/42/556589042.db2.gz PZRBVADPKFNFKU-UGSOOPFHSA-N 0 0 433.415 6.481 50 0 IKAARN COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)o2)cc1Cl ZINC000016226907 556592835 /nfs/dbraw/zinc/59/28/35/556592835.db2.gz XDOLPZQINKDBDG-UHFFFAOYSA-N 0 0 445.346 6.505 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036105326 556593117 /nfs/dbraw/zinc/59/31/17/556593117.db2.gz KXEOWWUAFRFEGL-IBGZPJMESA-N 0 0 438.593 5.788 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccc(C)c1 ZINC000036106008 556593152 /nfs/dbraw/zinc/59/31/52/556593152.db2.gz LQBYDQKXZXKDHO-HXUWFJFHSA-N 0 0 436.621 6.397 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036114172 556593182 /nfs/dbraw/zinc/59/31/82/556593182.db2.gz SYUBJQVPKJEXSI-GOSISDBHSA-N 0 0 438.593 5.788 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105313 556593184 /nfs/dbraw/zinc/59/31/84/556593184.db2.gz AMJONRJJZVEHBI-SFHVURJKSA-N 0 0 443.012 6.433 50 0 IKAARN CCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036105410 556593186 /nfs/dbraw/zinc/59/31/86/556593186.db2.gz KZIWDGDKQMYAON-UHFFFAOYSA-N 0 0 438.549 5.120 50 0 IKAARN CCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCCC1 ZINC000004584642 556593718 /nfs/dbraw/zinc/59/37/18/556593718.db2.gz KVMORRKTZHSDSU-UHFFFAOYSA-N 0 0 430.589 5.153 50 0 IKAARN Cc1ccc(NC(=S)NCc2cccc(CNC(=S)Nc3ccc(C)cc3)c2)cc1 ZINC000016237798 556593740 /nfs/dbraw/zinc/59/37/40/556593740.db2.gz PKRTYEZMURUJLB-UHFFFAOYSA-N 0 0 434.634 5.277 50 0 IKAARN Cc1[nH]nc(-c2ccc(OCc3ccc(F)cc3)cc2O)c1-c1c(F)cccc1Cl ZINC000016275857 556596484 /nfs/dbraw/zinc/59/64/84/556596484.db2.gz SBHDVZZKNGSKEV-UHFFFAOYSA-N 0 0 426.850 6.268 50 0 IKAARN Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000016282608 556596810 /nfs/dbraw/zinc/59/68/10/556596810.db2.gz TYWUWEXYMISDHM-UHFFFAOYSA-N 0 0 442.515 6.281 50 0 IKAARN Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4c(ccc5ccccc54)OC(=O)[C@@]32C(=O)c2ccccc2)cc1 ZINC000016286352 556597457 /nfs/dbraw/zinc/59/74/57/556597457.db2.gz PSNWSURSFLGIJU-ARVREXMNSA-N 0 0 446.502 5.923 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)n3c4ccccc4nc3N[C@@H]2c2cccc(F)c2)c(C)c1 ZINC000016284921 556597481 /nfs/dbraw/zinc/59/74/81/556597481.db2.gz XFJKJXUDJIDMTJ-XMMPIXPASA-N 0 0 426.495 5.829 50 0 IKAARN O=C(CSc1nc2cc(C(F)(F)F)ccc2s1)NC12CC3CC(CC(C3)C1)C2 ZINC000016286157 556597501 /nfs/dbraw/zinc/59/75/01/556597501.db2.gz KGQPZRMACOTJLQ-UHFFFAOYSA-N 0 0 426.529 5.492 50 0 IKAARN Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@H]3CCC[C@@H]32)cc1 ZINC000036377920 556597517 /nfs/dbraw/zinc/59/75/17/556597517.db2.gz QZEOZXJABDDEGH-MVSFAKPFSA-N 0 0 427.591 8.372 50 0 IKAARN Clc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000036372821 556597563 /nfs/dbraw/zinc/59/75/63/556597563.db2.gz MHFZLGDXRSGUDL-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1ccc([C@@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cn1 ZINC000036444694 556598084 /nfs/dbraw/zinc/59/80/84/556598084.db2.gz UBMMSMSXXPZABH-VWLOTQADSA-N 0 0 430.444 6.852 50 0 IKAARN Cc1ccc(N(Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)c2ccccc2)cc1 ZINC000016292597 556598128 /nfs/dbraw/zinc/59/81/28/556598128.db2.gz FKPZNAGWKOWOPF-UHFFFAOYSA-N 0 0 441.958 7.074 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2cccc(C)c2)cc1 ZINC000016309848 556599300 /nfs/dbraw/zinc/59/93/00/556599300.db2.gz QPBWOQXRTCUMDF-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2cccc(C)c2)cc1 ZINC000016309893 556599312 /nfs/dbraw/zinc/59/93/12/556599312.db2.gz DWXPMELHQSXIDX-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cccc(C)c2)cc1 ZINC000016309866 556599320 /nfs/dbraw/zinc/59/93/20/556599320.db2.gz ZRCMLECLDQWILM-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(N4CCCCCC4)cc3)no2)cc1NC(=O)c1ccco1 ZINC000032975342 556599898 /nfs/dbraw/zinc/59/98/98/556599898.db2.gz INEJUYFTXOSYRK-UHFFFAOYSA-N 0 0 442.519 5.938 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000016319881 556600077 /nfs/dbraw/zinc/60/00/77/556600077.db2.gz PBWAMMDVIMLGAN-HXUWFJFHSA-N 0 0 445.906 5.529 50 0 IKAARN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 ZINC000016319773 556600159 /nfs/dbraw/zinc/60/01/59/556600159.db2.gz BEWLWHDKMJBDEK-UHFFFAOYSA-N 0 0 444.362 5.648 50 0 IKAARN Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3ccc(Br)c(C)c3)c12 ZINC000032975755 556600398 /nfs/dbraw/zinc/60/03/98/556600398.db2.gz ZTNRYQIFHBGOSK-UHFFFAOYSA-N 0 0 443.295 6.130 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2nc(-c3cccs3)cs2)n1 ZINC000032981830 556601013 /nfs/dbraw/zinc/60/10/13/556601013.db2.gz LNEHQBLOYPYHRD-UHFFFAOYSA-N 0 0 438.603 5.823 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000016346123 556601356 /nfs/dbraw/zinc/60/13/56/556601356.db2.gz SFPJFAIWNXCFBM-UHFFFAOYSA-N 0 0 433.166 5.650 50 0 IKAARN COc1cc2c(cc1NC(=S)Nc1ccc3c(C)cc(=O)oc3c1)oc1ccccc12 ZINC000016346529 556601413 /nfs/dbraw/zinc/60/14/13/556601413.db2.gz KDZOCHAHGFMDRU-UHFFFAOYSA-N 0 0 430.485 5.818 50 0 IKAARN C[C@@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1Cc1ccc(Cl)cc1 ZINC000037356545 556601854 /nfs/dbraw/zinc/60/18/54/556601854.db2.gz WLIINLUMXWYXCQ-MRXNPFEDSA-N 0 0 429.351 5.286 50 0 IKAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C2)ncn1 ZINC000037357254 556602107 /nfs/dbraw/zinc/60/21/07/556602107.db2.gz UQAVYPQPDXIGOU-IEBWSBKVSA-N 0 0 442.579 5.216 50 0 IKAARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000016361540 556602626 /nfs/dbraw/zinc/60/26/26/556602626.db2.gz AAEIGEVJYWKACJ-UHFFFAOYSA-N 0 0 431.355 5.127 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)cc1 ZINC000032983910 556602661 /nfs/dbraw/zinc/60/26/61/556602661.db2.gz USVKLRAKHIPNFI-UCQKPKSFSA-N 0 0 448.906 5.041 50 0 IKAARN C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2)c1ccccc1 ZINC000032983868 556602727 /nfs/dbraw/zinc/60/27/27/556602727.db2.gz HPHSURMAJCVIJG-BRABVMKYSA-N 0 0 432.907 5.246 50 0 IKAARN O=C(CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)Nc1ccc(F)cc1 ZINC000037396920 556602739 /nfs/dbraw/zinc/60/27/39/556602739.db2.gz DWCXANBFCSTWRX-UHFFFAOYSA-N 0 0 442.321 6.102 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)n2c(Cc3ccc(F)cc3)nc3cc(C)c(C)cc32)cc1 ZINC000037397373 556602823 /nfs/dbraw/zinc/60/28/23/556602823.db2.gz MEBVOZHQUULWRK-GOSISDBHSA-N 0 0 431.511 5.591 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032983944 556602905 /nfs/dbraw/zinc/60/29/05/556602905.db2.gz UOSIBCWPNRTKQH-HZHRSRAPSA-N 0 0 432.907 5.075 50 0 IKAARN CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000037408028 556603192 /nfs/dbraw/zinc/60/31/92/556603192.db2.gz SCRJTXOZZNNOOC-UHFFFAOYSA-N 0 0 433.295 5.059 50 0 IKAARN C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2)c1ccccc1 ZINC000032983973 556603255 /nfs/dbraw/zinc/60/32/55/556603255.db2.gz KPOMUMTXUGRUAO-YOBACFSGSA-N 0 0 432.907 5.246 50 0 IKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000016376250 556603628 /nfs/dbraw/zinc/60/36/28/556603628.db2.gz AVVRTDTWVDXIAI-UHFFFAOYSA-N 0 0 437.849 5.474 50 0 IKAARN CCN1CCN(c2c(Cl)cccc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016383757 556604022 /nfs/dbraw/zinc/60/40/22/556604022.db2.gz OEWQPOBBISIUCT-UHFFFAOYSA-N 0 0 434.392 5.602 50 0 IKAARN CCc1ccccc1NC(=O)c1c(-c2ccc(C(F)(F)F)cc2)noc1N1CCCCC1 ZINC000032985119 556604576 /nfs/dbraw/zinc/60/45/76/556604576.db2.gz QFKCGLYGZBQMBV-UHFFFAOYSA-N 0 0 443.469 6.165 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000016393408 556604826 /nfs/dbraw/zinc/60/48/26/556604826.db2.gz QRGFHTNEJLCPLI-QHCPKHFHSA-N 0 0 445.515 6.021 50 0 IKAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc12 ZINC000016393945 556605062 /nfs/dbraw/zinc/60/50/62/556605062.db2.gz XGVTXHOPENQYJE-LLVKDONJSA-N 0 0 425.790 5.180 50 0 IKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1 ZINC000032985623 556605113 /nfs/dbraw/zinc/60/51/13/556605113.db2.gz UZAUMWIMKNZVCT-UHFFFAOYSA-N 0 0 436.870 5.720 50 0 IKAARN Clc1ccc(Cc2nnc(SCc3ccc(I)cc3)o2)cc1 ZINC000016399489 556605220 /nfs/dbraw/zinc/60/52/20/556605220.db2.gz YPFDRHIYPIGEOG-UHFFFAOYSA-N 0 0 442.709 5.211 50 0 IKAARN O=C(NCCc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000601014530 556605225 /nfs/dbraw/zinc/60/52/25/556605225.db2.gz PBYFCMOXYSRUFA-UHFFFAOYSA-N 0 0 429.467 5.137 50 0 IKAARN O=C(c1ccccc1)c1cccc(-c2cccc(-c3cccc(C(=O)c4ccccc4)c3)c2)c1 ZINC000601014573 556605232 /nfs/dbraw/zinc/60/52/32/556605232.db2.gz YSTLULYDFJHSKS-UHFFFAOYSA-N 0 0 438.526 7.483 50 0 IKAARN COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(C)cc32)cc1OC ZINC000032985827 556605289 /nfs/dbraw/zinc/60/52/89/556605289.db2.gz VDQZTNQLEQJLMB-UHFFFAOYSA-N 0 0 428.488 5.245 50 0 IKAARN COc1cccc(-c2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)c1 ZINC000032985638 556605297 /nfs/dbraw/zinc/60/52/97/556605297.db2.gz SVUHTNNMBGQEQV-UHFFFAOYSA-N 0 0 436.870 5.720 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)CSc1ccccc1 ZINC000016400604 556605454 /nfs/dbraw/zinc/60/54/54/556605454.db2.gz WKNVIVJRVPUUQX-UHFFFAOYSA-N 0 0 426.563 5.357 50 0 IKAARN COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(C)cc32)c(OC)c1 ZINC000032985831 556605466 /nfs/dbraw/zinc/60/54/66/556605466.db2.gz ZJGAELQMCGELPI-UHFFFAOYSA-N 0 0 428.488 5.245 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC(=O)N3CCC[C@@H](C)C3)c2c1 ZINC000032985849 556605504 /nfs/dbraw/zinc/60/55/04/556605504.db2.gz HZEUCEACFXHJDS-LJQANCHMSA-N 0 0 446.547 5.024 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc21 ZINC000032986361 556605828 /nfs/dbraw/zinc/60/58/28/556605828.db2.gz MSAIGGXTQQDNGK-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2ccc3nc(-c4ccccc4)cc(OCC)c3c2)c1 ZINC000032986427 556605961 /nfs/dbraw/zinc/60/59/61/556605961.db2.gz QKZOLULFFBEZCU-UHFFFAOYSA-N 0 0 440.499 5.730 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cccc(CC)c3)cc21 ZINC000032986519 556605998 /nfs/dbraw/zinc/60/59/98/556605998.db2.gz IDKNGLKHBKNBIU-UHFFFAOYSA-N 0 0 426.516 6.124 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cc(C)c(Cl)cc3OC)cc21 ZINC000032986425 556606004 /nfs/dbraw/zinc/60/60/04/556606004.db2.gz QMAOIHWYQYSSLS-UHFFFAOYSA-N 0 0 446.934 6.523 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(C)cc3C)cc21 ZINC000032986599 556606243 /nfs/dbraw/zinc/60/62/43/556606243.db2.gz KQVZNXOUPKHOPJ-UHFFFAOYSA-N 0 0 430.935 6.823 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cccc(SC)c3)cc21 ZINC000032986613 556606247 /nfs/dbraw/zinc/60/62/47/556606247.db2.gz DUWOBAYULJZPQK-UHFFFAOYSA-N 0 0 448.975 6.928 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCc3ccccc3)cc21 ZINC000032986565 556606259 /nfs/dbraw/zinc/60/62/59/556606259.db2.gz WLZCQXRMBVNNSP-UHFFFAOYSA-N 0 0 430.935 5.926 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCCc3ccco3)cc21 ZINC000032986587 556606282 /nfs/dbraw/zinc/60/62/82/556606282.db2.gz UUFSRIJVMYWMDK-UHFFFAOYSA-N 0 0 434.923 5.910 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3ccc(F)cc3)cc21 ZINC000032986620 556606312 /nfs/dbraw/zinc/60/63/12/556606312.db2.gz OGVFIACHVWKXOT-UHFFFAOYSA-N 0 0 434.898 6.023 50 0 IKAARN O=C(NCCSc1nc2cc(C(F)(F)F)ccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000016425119 556606316 /nfs/dbraw/zinc/60/63/16/556606316.db2.gz AOVDEQFTNUUQQW-UHFFFAOYSA-N 0 0 440.556 5.740 50 0 IKAARN Cc1ccc(C)c(CN2[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986855 556606501 /nfs/dbraw/zinc/60/65/01/556606501.db2.gz JFLKAWMEEBSRDP-QFIPXVFZSA-N 0 0 446.494 5.637 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc21 ZINC000032986706 556606521 /nfs/dbraw/zinc/60/65/21/556606521.db2.gz KSSVBLSZWCWQAG-UHFFFAOYSA-N 0 0 446.478 5.709 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)o2)cc1 ZINC000016425969 556606540 /nfs/dbraw/zinc/60/65/40/556606540.db2.gz CVNWIXMHOAKDEB-UHFFFAOYSA-N 0 0 427.504 5.853 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000016448240 556608510 /nfs/dbraw/zinc/60/85/10/556608510.db2.gz WCOQSXCSUZYXAJ-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN Cc1cc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc(C(C)C)n1 ZINC000016454530 556609644 /nfs/dbraw/zinc/60/96/44/556609644.db2.gz VBBCHXMCGCRKQL-MRXNPFEDSA-N 0 0 426.567 5.033 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000016474423 556609907 /nfs/dbraw/zinc/60/99/07/556609907.db2.gz YXUXTGVWZCXDOV-ZJJNMPENSA-N 0 0 444.501 5.242 50 0 IKAARN O=S(=O)(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000016474572 556609934 /nfs/dbraw/zinc/60/99/34/556609934.db2.gz KKKCXSYHXLZGNN-UHFFFAOYSA-N 0 0 437.524 5.373 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1 ZINC000032995643 556610978 /nfs/dbraw/zinc/61/09/78/556610978.db2.gz DDKFWPVCLSFOIR-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000016477617 556610995 /nfs/dbraw/zinc/61/09/95/556610995.db2.gz KDNOBOMRPMZWKS-UHFFFAOYSA-N 0 0 434.883 5.314 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1 ZINC000032995692 556610997 /nfs/dbraw/zinc/61/09/97/556610997.db2.gz ZSKRGXOGQTUICC-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000032995859 556611347 /nfs/dbraw/zinc/61/13/47/556611347.db2.gz SYMXMVGAUMAFDU-UHFFFAOYSA-N 0 0 437.956 5.442 50 0 IKAARN CSc1cc(C)ccc1Oc1c(F)c(F)c(/C=C/CN2CCOCC2)c(F)c1F ZINC000016488046 556611886 /nfs/dbraw/zinc/61/18/86/556611886.db2.gz QEHZUSYORBSXLS-ONEGZZNKSA-N 0 0 427.463 5.411 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCCCC1 ZINC000016488824 556612049 /nfs/dbraw/zinc/61/20/49/556612049.db2.gz WXPIFDXCEZQZEG-UHFFFAOYSA-N 0 0 440.849 5.002 50 0 IKAARN CC1(C)C[C@H](NC(=O)CCC2CCCCC2)C[C@](C)(CNC(=O)CCC2CCCCC2)C1 ZINC000038193946 556612419 /nfs/dbraw/zinc/61/24/19/556612419.db2.gz ISCATKGXTNHYCZ-CUBQBAPOSA-N 0 0 446.720 6.525 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 ZINC000016492162 556612530 /nfs/dbraw/zinc/61/25/30/556612530.db2.gz PZXOUCBKXVEXIZ-UHFFFAOYSA-N 0 0 440.351 7.290 50 0 IKAARN CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(OC)cc4)csc3c2=O)cc1 ZINC000038487102 556612874 /nfs/dbraw/zinc/61/28/74/556612874.db2.gz SSRQUQVMRGJKEU-UHFFFAOYSA-N 0 0 447.560 5.115 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(-c3ccccc3)csc2c1=O ZINC000038486774 556612901 /nfs/dbraw/zinc/61/29/01/556612901.db2.gz KAIPDAUAIGHLRL-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN O=C(CCCCCNc1[nH]c(=S)nc2ccccc21)NCCc1ccc(Cl)cc1 ZINC000013496855 556613060 /nfs/dbraw/zinc/61/30/60/556613060.db2.gz LSXSGIVZPJMQNP-UHFFFAOYSA-N 0 0 428.989 5.277 50 0 IKAARN COc1cccc([C@@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546913 556613720 /nfs/dbraw/zinc/61/37/20/556613720.db2.gz LETUBIIMOOANBF-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN COc1ccc([C@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546899 556613725 /nfs/dbraw/zinc/61/37/25/556613725.db2.gz WZGNUYXDTPXDFE-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN Fc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(Br)c2)cc1 ZINC000013496884 556613777 /nfs/dbraw/zinc/61/37/77/556613777.db2.gz XDDCEHSXZIYQLG-LJQANCHMSA-N 0 0 430.346 5.192 50 0 IKAARN Cc1ccnc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)c1 ZINC000038547398 556613915 /nfs/dbraw/zinc/61/39/15/556613915.db2.gz AVZSLVDLFRGVAX-QHCPKHFHSA-N 0 0 444.560 5.772 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccccn1)CCCC2)c1ccco1 ZINC000038547394 556613960 /nfs/dbraw/zinc/61/39/60/556613960.db2.gz HFYDHYAPLYLHQD-QFIPXVFZSA-N 0 0 430.533 5.464 50 0 IKAARN CSc1ccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547013 556613972 /nfs/dbraw/zinc/61/39/72/556613972.db2.gz CQMDDPOWGLBMCB-NRFANRHFSA-N 0 0 435.574 6.220 50 0 IKAARN COc1ccccc1[C@@H](Nc1cccc(C)n1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546924 556613999 /nfs/dbraw/zinc/61/39/99/556613999.db2.gz DEQHHHBVSVIHQZ-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546957 556614006 /nfs/dbraw/zinc/61/40/06/556614006.db2.gz NDNVVWGLXFQNER-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038550560 556614304 /nfs/dbraw/zinc/61/43/04/556614304.db2.gz DKFOITRIVUNTGY-QFIPXVFZSA-N 0 0 433.964 6.559 50 0 IKAARN COc1ccccc1[C@@H](Nc1cccc(C)n1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000038550997 556614341 /nfs/dbraw/zinc/61/43/41/556614341.db2.gz QLRWMAYSUAZQJJ-XMMPIXPASA-N 0 0 443.572 6.222 50 0 IKAARN Cc1ccc([C@@H](Nc2ccccn2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)cc1 ZINC000038550640 556614356 /nfs/dbraw/zinc/61/43/56/556614356.db2.gz GCNAMRAFOAWYKM-XMMPIXPASA-N 0 0 443.572 6.377 50 0 IKAARN O=C([O-])c1ccc(C[NH2+]Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000016525964 556614414 /nfs/dbraw/zinc/61/44/14/556614414.db2.gz LHZQSSFCCKBBOD-UHFFFAOYSA-N 0 0 431.919 6.060 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2ccccc2c1=O ZINC000033636012 556614516 /nfs/dbraw/zinc/61/45/16/556614516.db2.gz SBRMLECIPHCNFG-UHFFFAOYSA-N 0 0 436.364 5.090 50 0 IKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551019 556614710 /nfs/dbraw/zinc/61/47/10/556614710.db2.gz ZXMSIUHKFRCLHH-QHCPKHFHSA-N 0 0 431.536 6.353 50 0 IKAARN CC[C@H](C)NC(=O)C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000033632780 556615535 /nfs/dbraw/zinc/61/55/35/556615535.db2.gz GTLMAGMPKOZRAC-AVRDEDQJSA-N 0 0 434.580 6.327 50 0 IKAARN CC[C@H](C)NC(=O)C[C@@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000033632776 556615561 /nfs/dbraw/zinc/61/55/61/556615561.db2.gz GTLMAGMPKOZRAC-PGRDOPGGSA-N 0 0 434.580 6.327 50 0 IKAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016568221 556615640 /nfs/dbraw/zinc/61/56/40/556615640.db2.gz XVAVAKVJSTWHNV-UHFFFAOYSA-N 0 0 433.964 5.579 50 0 IKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000016575812 556615859 /nfs/dbraw/zinc/61/58/59/556615859.db2.gz WMVRMDPWDGUXRU-UHFFFAOYSA-N 0 0 431.586 6.214 50 0 IKAARN Cc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCCC2)c(Cl)c1 ZINC000004991005 556617201 /nfs/dbraw/zinc/61/72/01/556617201.db2.gz PLLVWGDDHHLTDC-UHFFFAOYSA-N 0 0 426.029 7.052 50 0 IKAARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1Br ZINC000033669834 556620656 /nfs/dbraw/zinc/62/06/56/556620656.db2.gz AEWLKMSKMUIFGF-KXFIGUGUSA-N 0 0 449.957 6.170 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4ccsc4)C[C@H]3c3ccc(F)cc3)n2)cc1C ZINC000016675823 556622337 /nfs/dbraw/zinc/62/23/37/556622337.db2.gz NCHBIBIZJHSPKR-QHCPKHFHSA-N 0 0 433.577 6.983 50 0 IKAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc(Cl)c1Cl ZINC000016677723 556622668 /nfs/dbraw/zinc/62/26/68/556622668.db2.gz HMGAGESVSHECHH-JOCHJYFZSA-N 0 0 438.362 5.499 50 0 IKAARN Cc1cccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2-c2ccccc2)c1 ZINC000033704122 556622858 /nfs/dbraw/zinc/62/28/58/556622858.db2.gz YXQRHMCJAKBAPW-UHFFFAOYSA-N 0 0 425.479 6.554 50 0 IKAARN COc1ccc(CN2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1Br ZINC000016677764 556622913 /nfs/dbraw/zinc/62/29/13/556622913.db2.gz PZQUANBPMREISY-JOCHJYFZSA-N 0 0 439.397 6.004 50 0 IKAARN C[C@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc2c(c1)OCO2 ZINC000016680267 556623847 /nfs/dbraw/zinc/62/38/47/556623847.db2.gz CTZMJTIIBNUJRQ-AWEZNQCLSA-N 0 0 449.557 5.057 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 ZINC000033712898 556623902 /nfs/dbraw/zinc/62/39/02/556623902.db2.gz MCMCHPQIQKPIKU-XTEPFMGCSA-N 0 0 436.942 7.249 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998808 556626360 /nfs/dbraw/zinc/62/63/60/556626360.db2.gz VRCLODDFGWDEGK-UHFFFAOYSA-N 0 0 445.519 5.338 50 0 IKAARN Cc1ccc(S(=O)(=O)NN=C2CC(C)(C)CC3=C2[C@@]2(O)CC(C)(C)C[C@@](C)(C3)C2)cc1 ZINC000033719103 556626398 /nfs/dbraw/zinc/62/63/98/556626398.db2.gz QAQUQGOMHJOOAE-JWQCQUIFSA-N 0 0 444.641 5.097 50 0 IKAARN Cc1ccc(C(=O)N[C@H](Nc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002566808 556626424 /nfs/dbraw/zinc/62/64/24/556626424.db2.gz JVZJLYDDXNOJFE-HNNXBMFYSA-N 0 0 426.558 5.840 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3)n2)cc1 ZINC000032999038 556626718 /nfs/dbraw/zinc/62/67/18/556626718.db2.gz IJLNOXSBNWVZBY-UHFFFAOYSA-N 0 0 449.482 5.223 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000032998976 556627106 /nfs/dbraw/zinc/62/71/06/556627106.db2.gz YMSQEQDFMUKJNM-UHFFFAOYSA-N 0 0 447.947 5.598 50 0 IKAARN COc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(OC)cc3)n2)cc1 ZINC000032999186 556627297 /nfs/dbraw/zinc/62/72/97/556627297.db2.gz SKYCWQSQKHKWME-UHFFFAOYSA-N 0 0 445.479 5.135 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1 ZINC000032999019 556627330 /nfs/dbraw/zinc/62/73/30/556627330.db2.gz MLFWECNOFYZFAY-UHFFFAOYSA-N 0 0 441.556 5.561 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000033725028 556627341 /nfs/dbraw/zinc/62/73/41/556627341.db2.gz YKIRTSOMFGSYKN-JOCHJYFZSA-N 0 0 434.580 6.184 50 0 IKAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)n3)cc2)no1 ZINC000032999154 556627352 /nfs/dbraw/zinc/62/73/52/556627352.db2.gz WHLJHVMKWFZHPB-UHFFFAOYSA-N 0 0 441.413 5.064 50 0 IKAARN COc1ccccc1-c1nc2c(OCc3ccccc3)cccn2c1Nc1c(C)cccc1C ZINC000033722544 556627442 /nfs/dbraw/zinc/62/74/42/556627442.db2.gz ILHZOOVOQMGKHO-UHFFFAOYSA-N 0 0 449.554 6.949 50 0 IKAARN Cc1nc2cc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)c(C)s3)ccc2n1C ZINC000060297616 556627738 /nfs/dbraw/zinc/62/77/38/556627738.db2.gz URGYFNAPMZBTFA-UHFFFAOYSA-N 0 0 428.464 5.167 50 0 IKAARN CCCCSCCCNC(=O)CSCc1nc(-c2ccccc2Cl)oc1C ZINC000005057528 556628044 /nfs/dbraw/zinc/62/80/44/556628044.db2.gz WZMAUFQXWXYTHO-UHFFFAOYSA-N 0 0 427.035 5.576 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699080 556629203 /nfs/dbraw/zinc/62/92/03/556629203.db2.gz JIBNQKLNGVPJFR-UHFFFAOYSA-N 0 0 442.437 5.229 50 0 IKAARN O=C(N[C@H](c1ccco1)c1ccccc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699215 556629275 /nfs/dbraw/zinc/62/92/75/556629275.db2.gz IHAZQUNAYWHCBB-SANMLTNESA-N 0 0 438.527 5.191 50 0 IKAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1 ZINC000033741055 556629638 /nfs/dbraw/zinc/62/96/38/556629638.db2.gz TUXVUARXVRRILH-QFIPXVFZSA-N 0 0 446.591 5.409 50 0 IKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000039579409 556629738 /nfs/dbraw/zinc/62/97/38/556629738.db2.gz JVBXJTQXWYXJBP-XXBNENTESA-N 0 0 449.304 5.420 50 0 IKAARN CC1=NC(=S)N[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCc1ccccc1 ZINC000005066571 556629750 /nfs/dbraw/zinc/62/97/50/556629750.db2.gz LXYZFYZHIWAOGX-QHCPKHFHSA-N 0 0 430.529 5.015 50 0 IKAARN CC1=NC(=S)N[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCc1ccccc1 ZINC000005066577 556629895 /nfs/dbraw/zinc/62/98/95/556629895.db2.gz LXYZFYZHIWAOGX-HSZRJFAPSA-N 0 0 430.529 5.015 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000039944194 556630523 /nfs/dbraw/zinc/63/05/23/556630523.db2.gz YJHUQNHKBJRDNA-UNMCSNQZSA-N 0 0 447.724 7.028 50 0 IKAARN CCCNC(=O)[C@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc32)n1C ZINC000016731675 556631408 /nfs/dbraw/zinc/63/14/08/556631408.db2.gz XSVVCLSRFOOMES-KRWDZBQOSA-N 0 0 445.592 5.013 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000016733609 556632504 /nfs/dbraw/zinc/63/25/04/556632504.db2.gz LFEBJETXWVGQNQ-GWCFXTLKSA-N 0 0 448.828 6.014 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccccn1 ZINC000016736035 556633281 /nfs/dbraw/zinc/63/32/81/556633281.db2.gz NDXOVLVPXAWXLZ-VWLOTQADSA-N 0 0 446.462 5.730 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016736157 556633378 /nfs/dbraw/zinc/63/33/78/556633378.db2.gz REYAFHNMGJQFRP-RUZDIDTESA-N 0 0 439.511 5.288 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000016736776 556633532 /nfs/dbraw/zinc/63/35/32/556633532.db2.gz PPJLHFFECZMINH-QHCPKHFHSA-N 0 0 426.472 5.035 50 0 IKAARN COc1ccc(C(=O)CSC2=NC(=Cc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000016740010 556634242 /nfs/dbraw/zinc/63/42/42/556634242.db2.gz QOALUJKOTUIDMD-JWGURIENSA-N 0 0 428.513 5.055 50 0 IKAARN Cc1c2c3cc(-c4cc(Cl)ccc4Cl)cn3nc(C)c2c(C)n1C1CCCCC1 ZINC000033783326 556634548 /nfs/dbraw/zinc/63/45/48/556634548.db2.gz ZYYFVWDYAJSUQS-UHFFFAOYSA-N 0 0 426.391 7.693 50 0 IKAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000097938695 556634956 /nfs/dbraw/zinc/63/49/56/556634956.db2.gz CFLDVYIVECBQTH-IBGZPJMESA-N 0 0 447.926 5.239 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3c(Cl)c4ccccc4n3C)sc2C)cc1OC ZINC000061461974 556635090 /nfs/dbraw/zinc/63/50/90/556635090.db2.gz NPBFOIXWVYCFRH-UHFFFAOYSA-N 0 0 441.940 5.533 50 0 IKAARN Cc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016741411 556635147 /nfs/dbraw/zinc/63/51/47/556635147.db2.gz KAQUPRBIKBECPV-QGZVFWFLSA-N 0 0 448.009 5.001 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000016741859 556635729 /nfs/dbraw/zinc/63/57/29/556635729.db2.gz QIAMKXBQHXBJRD-XMMPIXPASA-N 0 0 427.475 5.548 50 0 IKAARN COc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016742558 556636639 /nfs/dbraw/zinc/63/66/39/556636639.db2.gz MFJCMIHAEBPIPA-HSZRJFAPSA-N 0 0 445.902 5.822 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccco1 ZINC000016750063 556636846 /nfs/dbraw/zinc/63/68/46/556636846.db2.gz LZCHMWXXAVZYME-UHFFFAOYSA-N 0 0 432.457 5.736 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000037427141 556636999 /nfs/dbraw/zinc/63/69/99/556636999.db2.gz FVPCURCONMRMID-RQTOMXEWSA-N 0 0 429.491 5.124 50 0 IKAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC ZINC000016751110 556637427 /nfs/dbraw/zinc/63/74/27/556637427.db2.gz LBGKWLAWCPUNDO-DEOSSOPVSA-N 0 0 449.547 5.716 50 0 IKAARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@@H]1C=C[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC000037427277 556637610 /nfs/dbraw/zinc/63/76/10/556637610.db2.gz WGJGIICATZSTRQ-NVAPDCRFSA-N 0 0 441.886 5.165 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1OCC ZINC000016751940 556637903 /nfs/dbraw/zinc/63/79/03/556637903.db2.gz GAAMYJWNMPSEPA-XMMPIXPASA-N 0 0 449.547 5.716 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000016752000 556637919 /nfs/dbraw/zinc/63/79/19/556637919.db2.gz QBVIEUQWTDPBAX-XMMPIXPASA-N 0 0 449.547 5.572 50 0 IKAARN CCc1ccc2occ(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)c2c1 ZINC000016753239 556638115 /nfs/dbraw/zinc/63/81/15/556638115.db2.gz AXVNTOCNKZLPOO-UHFFFAOYSA-N 0 0 448.544 5.250 50 0 IKAARN CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccccc1Cl ZINC000016753246 556638181 /nfs/dbraw/zinc/63/81/81/556638181.db2.gz FQSHVRZGOLTCAO-UHFFFAOYSA-N 0 0 434.860 5.422 50 0 IKAARN Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2nc3c(cccc3C)o2)c1 ZINC000037427387 556638209 /nfs/dbraw/zinc/63/82/09/556638209.db2.gz HMBRRHXAVWRRLT-UHFFFAOYSA-N 0 0 447.434 5.898 50 0 IKAARN CC[C@@H](C(=O)NC(C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037439343 556638446 /nfs/dbraw/zinc/63/84/46/556638446.db2.gz IAZKVSCIPKVGAZ-NRFANRHFSA-N 0 0 427.545 5.399 50 0 IKAARN CCC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440159 556638516 /nfs/dbraw/zinc/63/85/16/556638516.db2.gz ULLUCEDOMFUYMO-OAHLLOKOSA-N 0 0 425.743 5.579 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(O)c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414610 556640161 /nfs/dbraw/zinc/64/01/61/556640161.db2.gz YFVHMUJHURDIMU-NRFANRHFSA-N 0 0 435.911 5.431 50 0 IKAARN COCCCn1c(C)c(C(=O)NCc2ccccc2Cl)cc1-c1ccc(OC)cc1 ZINC000005142109 556642234 /nfs/dbraw/zinc/64/22/34/556642234.db2.gz QCOLWSRMMIUHPB-UHFFFAOYSA-N 0 0 426.944 5.092 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3C)c(C)c12 ZINC000005151973 556642910 /nfs/dbraw/zinc/64/29/10/556642910.db2.gz VCJFUZDTCAXFHG-UHFFFAOYSA-N 0 0 426.564 5.842 50 0 IKAARN CCc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)c1 ZINC000005151997 556643259 /nfs/dbraw/zinc/64/32/59/556643259.db2.gz NSJSLYMMYRIKNT-UHFFFAOYSA-N 0 0 426.564 5.788 50 0 IKAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccco3)cc2)c1 ZINC000037555393 556644412 /nfs/dbraw/zinc/64/44/12/556644412.db2.gz BZIDJLBZGPPCPH-UHFFFAOYSA-N 0 0 438.527 5.294 50 0 IKAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1)Nc1ccccc1 ZINC000037555801 556644466 /nfs/dbraw/zinc/64/44/66/556644466.db2.gz HVUCHBWQPYMVKY-UHFFFAOYSA-N 0 0 430.523 5.730 50 0 IKAARN Cc1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)n(-n3cccc3)c2=S)c1C ZINC000016807136 556644496 /nfs/dbraw/zinc/64/44/96/556644496.db2.gz YVJIFESVDVLKJR-UHFFFAOYSA-N 0 0 437.956 5.103 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037556736 556644924 /nfs/dbraw/zinc/64/49/24/556644924.db2.gz IURZACRQSCLJAX-UHFFFAOYSA-N 0 0 432.539 5.264 50 0 IKAARN Cc1cccc(CNC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccco3)cc2)c1 ZINC000037556543 556645014 /nfs/dbraw/zinc/64/50/14/556645014.db2.gz LXQSEQMCNROLGH-UHFFFAOYSA-N 0 0 438.527 5.294 50 0 IKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCc2ccc(F)cc2)cc1 ZINC000037556479 556645017 /nfs/dbraw/zinc/64/50/17/556645017.db2.gz NKOURAWOJIQZCN-UHFFFAOYSA-N 0 0 446.566 5.572 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)cc1 ZINC000016840678 556645909 /nfs/dbraw/zinc/64/59/09/556645909.db2.gz NOGIOWIRKVNZSQ-UHFFFAOYSA-N 0 0 438.556 5.266 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N2CCCC2)c1 ZINC000037600720 556646124 /nfs/dbraw/zinc/64/61/24/556646124.db2.gz VDAVHZDOXROQPQ-UHFFFAOYSA-N 0 0 430.523 5.146 50 0 IKAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1 ZINC000016841660 556646138 /nfs/dbraw/zinc/64/61/38/556646138.db2.gz LBODCCJLEBKDEF-UHFFFAOYSA-N 0 0 436.968 5.651 50 0 IKAARN CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3ccccc3C)nccn2n1 ZINC000016842369 556646304 /nfs/dbraw/zinc/64/63/04/556646304.db2.gz KSGOBWGYMSIOJN-UHFFFAOYSA-N 0 0 446.576 5.614 50 0 IKAARN CC(=O)N1CCc2ccc(O[C@H](C)C(=O)Nc3ccc(C)cc3)cc2[C@H]1c1cccc(F)c1 ZINC000037602125 556646434 /nfs/dbraw/zinc/64/64/34/556646434.db2.gz VJJQBMQLHLILBY-WXTAPIANSA-N 0 0 446.522 5.034 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)N3CCCC3)c2)cc1 ZINC000037601500 556646470 /nfs/dbraw/zinc/64/64/70/556646470.db2.gz PEBNOKUHQYZTFX-UHFFFAOYSA-N 0 0 426.560 5.315 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C ZINC000016844929 556646570 /nfs/dbraw/zinc/64/65/70/556646570.db2.gz RRMHKWCJNUTNSZ-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN CCN(C(=O)CSc1nc2c(-c3ccc(C)cc3)csc2c(=O)n1C)c1ccccc1 ZINC000016846079 556647070 /nfs/dbraw/zinc/64/70/70/556647070.db2.gz BMRGUZGIOINKGO-UHFFFAOYSA-N 0 0 449.601 5.116 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C)nc2c(-c3ccc(C)cc3)csc2c1=O ZINC000016846175 556647125 /nfs/dbraw/zinc/64/71/25/556647125.db2.gz JJWMAJPDYGZVPD-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000016846506 556647133 /nfs/dbraw/zinc/64/71/33/556647133.db2.gz VVMFPJPVHLGDRJ-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(F)c3)n2)c1 ZINC000016846588 556647530 /nfs/dbraw/zinc/64/75/30/556647530.db2.gz NJUPKNAAFVAOHA-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000016902542 556648785 /nfs/dbraw/zinc/64/87/85/556648785.db2.gz NMDVGPXOXYWAQB-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1cccc(C(F)(F)F)c1 ZINC000011726275 556648826 /nfs/dbraw/zinc/64/88/26/556648826.db2.gz XVTBUKKNBNDWDG-IBGZPJMESA-N 0 0 437.458 5.028 50 0 IKAARN Cc1ccc(-c2noc(CCC(=O)NCc3ccc(COCc4ccccc4)cc3)n2)cc1 ZINC000032925080 556649546 /nfs/dbraw/zinc/64/95/46/556649546.db2.gz YJLWAUOQJPDDMZ-UHFFFAOYSA-N 0 0 441.531 5.011 50 0 IKAARN O=C(CSc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2)c1ccc(Cl)cc1 ZINC000016945034 556649705 /nfs/dbraw/zinc/64/97/05/556649705.db2.gz SJBYLIVIEAGRIZ-UHFFFAOYSA-N 0 0 436.964 5.433 50 0 IKAARN O=S(=O)(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1 ZINC000011758705 556651538 /nfs/dbraw/zinc/65/15/38/556651538.db2.gz XPFBHOXIJSXGTF-UHFFFAOYSA-N 0 0 446.903 5.003 50 0 IKAARN Cc1cc(C)cc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010875 556652650 /nfs/dbraw/zinc/65/26/50/556652650.db2.gz IIRHSCMZBJBCMH-UHFFFAOYSA-N 0 0 438.510 5.927 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Br)o1 ZINC000032999580 556653013 /nfs/dbraw/zinc/65/30/13/556653013.db2.gz LPUVEVRSFPTCGS-UHFFFAOYSA-N 0 0 437.087 5.849 50 0 IKAARN O=C(Cc1csc(-c2ccccn2)n1)OCCc1cc2cc(Br)ccc2o1 ZINC000032925549 556653330 /nfs/dbraw/zinc/65/33/30/556653330.db2.gz BLNAAOYJBLHRJF-UHFFFAOYSA-N 0 0 443.322 5.042 50 0 IKAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4Cl)nccn3n2)cc1 ZINC000017026186 556653563 /nfs/dbraw/zinc/65/35/63/556653563.db2.gz ADJSQLDGYZEGPE-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000017026270 556653566 /nfs/dbraw/zinc/65/35/66/556653566.db2.gz IQSPXILHAPDQQG-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017027211 556653625 /nfs/dbraw/zinc/65/36/25/556653625.db2.gz CUUGTDRTVUCLIM-QHCPKHFHSA-N 0 0 448.885 5.024 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000033000678 556653999 /nfs/dbraw/zinc/65/39/99/556653999.db2.gz HFNNAWUNGXSDGV-UHFFFAOYSA-N 0 0 448.013 6.055 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccc(NC(=O)c3ccco3)cc2s1 ZINC000033000331 556654276 /nfs/dbraw/zinc/65/42/76/556654276.db2.gz HSUWYBWEMHJMPI-AWEZNQCLSA-N 0 0 449.557 5.212 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c1 ZINC000033000459 556654280 /nfs/dbraw/zinc/65/42/80/556654280.db2.gz ZRZNTJAKAKOXEA-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN CCN(Cc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000032925873 556655171 /nfs/dbraw/zinc/65/51/71/556655171.db2.gz YRGXGHKLCIBXDE-UHFFFAOYSA-N 0 0 441.330 6.142 50 0 IKAARN COc1cc(NC(=O)Nc2ccccc2OC)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008592 556656193 /nfs/dbraw/zinc/65/61/93/556656193.db2.gz HZQSSRNMHNHODJ-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cccc(Cl)c3)c2)c1 ZINC000033009165 556656198 /nfs/dbraw/zinc/65/61/98/556656198.db2.gz GXVXFIIZGSBVNI-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCC2)cc1 ZINC000033009171 556656532 /nfs/dbraw/zinc/65/65/32/556656532.db2.gz NOVRQLIPKASGBM-UHFFFAOYSA-N 0 0 442.563 6.054 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000017085940 556657068 /nfs/dbraw/zinc/65/70/68/556657068.db2.gz SFVPUTHNERPBEZ-SZNDQCEHSA-N 0 0 440.996 6.667 50 0 IKAARN Cc1cc(NC(=O)Nc2cccc(Cl)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008330 556657073 /nfs/dbraw/zinc/65/70/73/556657073.db2.gz LAMBQTDSHVZXIF-UHFFFAOYSA-N 0 0 436.924 6.154 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c(C)c1 ZINC000033008363 556657148 /nfs/dbraw/zinc/65/71/48/556657148.db2.gz VEKSDQPFXNSUMA-UHFFFAOYSA-N 0 0 430.533 6.118 50 0 IKAARN COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)Cc4cccs4)cc3)s2)cc1 ZINC000011797098 556657171 /nfs/dbraw/zinc/65/71/71/556657171.db2.gz YVVRTXJTMLHSJD-UHFFFAOYSA-N 0 0 436.562 5.224 50 0 IKAARN Cc1cc(NC(=O)Nc2ccc(C)c(F)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008373 556657224 /nfs/dbraw/zinc/65/72/24/556657224.db2.gz YRVMNNHJSLKETF-UHFFFAOYSA-N 0 0 434.496 5.949 50 0 IKAARN CC[C@H](C)Sc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c(C(F)(F)F)c1 ZINC000060306136 556657446 /nfs/dbraw/zinc/65/74/46/556657446.db2.gz MSDCYKQSYNZDCM-ZDUSSCGKSA-N 0 0 437.462 6.173 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000033009326 556657460 /nfs/dbraw/zinc/65/74/60/556657460.db2.gz BAUPBSZWSWCUFZ-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN Cc1ccc(CNC(=O)Nc2cc(NC(=O)c3ccc(C)cc3)ccc2N2CCCC2)cc1 ZINC000033009375 556657538 /nfs/dbraw/zinc/65/75/38/556657538.db2.gz WCFUYBBCOIXDTA-UHFFFAOYSA-N 0 0 442.563 5.478 50 0 IKAARN CC[C@H](C)Sc1ccc(NC(=O)c2ccccc2OCCOC)c(C(F)(F)F)c1 ZINC000060306165 556657550 /nfs/dbraw/zinc/65/75/50/556657550.db2.gz MQXWXDUPFRTCOI-AWEZNQCLSA-N 0 0 427.488 5.874 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009442 556657592 /nfs/dbraw/zinc/65/75/92/556657592.db2.gz CGLLADLOWUFZHB-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009433 556657618 /nfs/dbraw/zinc/65/76/18/556657618.db2.gz YDDPSTGXLAFABP-UHFFFAOYSA-N 0 0 444.535 5.582 50 0 IKAARN Cc1nn(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)c(C)c1Cl ZINC000017094330 556657667 /nfs/dbraw/zinc/65/76/67/556657667.db2.gz NXFWIZJUTOREDQ-UHFFFAOYSA-N 0 0 425.363 6.460 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCCCC2)cc1 ZINC000033009679 556657705 /nfs/dbraw/zinc/65/77/05/556657705.db2.gz MNMLVVRGJHONCS-UHFFFAOYSA-N 0 0 442.563 6.272 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)cc1 ZINC000033009790 556657847 /nfs/dbraw/zinc/65/78/47/556657847.db2.gz QMMMSHHNBVPWQN-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN COc1cccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)c1 ZINC000033009749 556657889 /nfs/dbraw/zinc/65/78/89/556657889.db2.gz XCMGPLISBFZFEY-UHFFFAOYSA-N 0 0 448.498 5.331 50 0 IKAARN O=C(NCCc1ccccc1)Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCC1 ZINC000033009839 556657925 /nfs/dbraw/zinc/65/79/25/556657925.db2.gz AGWIHBOJFNBNJH-UHFFFAOYSA-N 0 0 446.526 5.042 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@H](CC)C2 ZINC000017094760 556657886 /nfs/dbraw/zinc/65/78/86/556657886.db2.gz ZNMMCAWKRANSEW-NSHDSACASA-N 0 0 426.365 5.999 50 0 IKAARN CCCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1csc(C)c1 ZINC000017095098 556658300 /nfs/dbraw/zinc/65/83/00/556658300.db2.gz KOSBLMQIJBGWQL-UHFFFAOYSA-N 0 0 426.636 6.449 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)ncn2)c1 ZINC000033010493 556658366 /nfs/dbraw/zinc/65/83/66/556658366.db2.gz ZMJKRYMDVJQWOX-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)ncn2)c1 ZINC000033010475 556658370 /nfs/dbraw/zinc/65/83/70/556658370.db2.gz MKAUNAGEKAGECM-VWLOTQADSA-N 0 0 434.543 6.003 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010618 556658680 /nfs/dbraw/zinc/65/86/80/556658680.db2.gz RMEHKHCYGUYOHV-DEOSSOPVSA-N 0 0 438.506 5.834 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCc4ccc(C(C)C)cc4)cc3)ncn2)cc1 ZINC000033010857 556658810 /nfs/dbraw/zinc/65/88/10/556658810.db2.gz ZNGKIXVJNCJRHU-UHFFFAOYSA-N 0 0 436.559 6.249 50 0 IKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCC2)c1 ZINC000033009225 556658841 /nfs/dbraw/zinc/65/88/41/556658841.db2.gz GJXDZUYOWWERDB-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC1N=NC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000017095636 556659059 /nfs/dbraw/zinc/65/90/59/556659059.db2.gz KGGSFOISECNXSV-UHFFFAOYSA-N 0 0 427.879 5.548 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010922 556659137 /nfs/dbraw/zinc/65/91/37/556659137.db2.gz ILVYCGYZZXYAAM-UHFFFAOYSA-N 0 0 445.320 5.902 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc21)N1CCN(c2ccccc2)CC1 ZINC000017095656 556659117 /nfs/dbraw/zinc/65/91/17/556659117.db2.gz ZBYXVKNLGBWEDN-UHFFFAOYSA-N 0 0 427.935 5.518 50 0 IKAARN CCn1c(COc2ccccc2Cl)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000017095635 556659122 /nfs/dbraw/zinc/65/91/22/556659122.db2.gz MKCOZBSGOBHAQV-UHFFFAOYSA-N 0 0 427.879 5.842 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010926 556659169 /nfs/dbraw/zinc/65/91/69/556659169.db2.gz ZOMPVOLATLJCGX-UHFFFAOYSA-N 0 0 445.320 5.902 50 0 IKAARN Cc1sc2nc(SCc3ccc(Cl)cc3)n(Cc3ccccn3)c(=O)c2c1C ZINC000017095673 556659266 /nfs/dbraw/zinc/65/92/66/556659266.db2.gz VAHHREJMEUGSRD-UHFFFAOYSA-N 0 0 427.982 5.464 50 0 IKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(OC)cc2)c1-c1ccc(OC)cc1 ZINC000017095946 556659507 /nfs/dbraw/zinc/65/95/07/556659507.db2.gz GERYOJYIRZSQDN-UHFFFAOYSA-N 0 0 428.532 5.854 50 0 IKAARN CCCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1csc(C)c1CC ZINC000017096138 556659730 /nfs/dbraw/zinc/65/97/30/556659730.db2.gz OCCGPFWPPZYASK-OAHLLOKOSA-N 0 0 428.627 5.257 50 0 IKAARN CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1csc(C)c1CC ZINC000017096139 556659778 /nfs/dbraw/zinc/65/97/78/556659778.db2.gz BYVGOERWMOLXCO-UHFFFAOYSA-N 0 0 428.627 5.635 50 0 IKAARN CC(C)=CCCC1=CC[C@H](C2OCC3(CC=C(CCC=C(C)C)C[C@H]3C)CO2)[C@H](C)C1 ZINC000100741628 556659875 /nfs/dbraw/zinc/65/98/75/556659875.db2.gz MFGNVTISQZYJEE-UDNJWDCISA-N 0 0 426.685 8.167 50 0 biogenic IKAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000017096143 556659957 /nfs/dbraw/zinc/65/99/57/556659957.db2.gz UCBQYMRLWNINSH-FQEVSTJZSA-N 0 0 428.642 5.004 50 0 IKAARN COc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017096324 556659988 /nfs/dbraw/zinc/65/99/88/556659988.db2.gz SHQVMJLMVCHDDC-UHFFFAOYSA-N 0 0 429.307 5.243 50 0 IKAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000017096358 556660203 /nfs/dbraw/zinc/66/02/03/556660203.db2.gz UCQKWHKGLZBODD-MRXNPFEDSA-N 0 0 429.347 5.263 50 0 IKAARN C[C@H](Oc1ccc(F)cc1F)c1nnc(SCc2cccc(C(F)(F)F)c2)n1C ZINC000017096406 556660228 /nfs/dbraw/zinc/66/02/28/556660228.db2.gz DDYFMZSADXBEHE-NSHDSACASA-N 0 0 429.414 5.544 50 0 IKAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000011847347 556660242 /nfs/dbraw/zinc/66/02/42/556660242.db2.gz IVAFCGHRHIBICJ-UHFFFAOYSA-N 0 0 442.496 6.139 50 0 IKAARN CCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1csc(C)c1 ZINC000017096652 556660521 /nfs/dbraw/zinc/66/05/21/556660521.db2.gz ZHIRLBLECJGEEK-UHFFFAOYSA-N 0 0 429.596 5.066 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccccc1Cl ZINC000017097304 556661461 /nfs/dbraw/zinc/66/14/61/556661461.db2.gz XFDBLGMANOMPQE-UHFFFAOYSA-N 0 0 430.982 5.732 50 0 IKAARN COC(=O)c1sc2cc(NC(=S)N3CCCc4cc(C)ccc43)ccc2c1Cl ZINC000017097314 556661504 /nfs/dbraw/zinc/66/15/04/556661504.db2.gz RMDHAJMPLFCBQA-UHFFFAOYSA-N 0 0 430.982 5.799 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000011852391 556661664 /nfs/dbraw/zinc/66/16/64/556661664.db2.gz RLPQOIHPNNITLD-JOCHJYFZSA-N 0 0 425.315 5.994 50 0 IKAARN CCc1cc(C(=O)OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)s1 ZINC000017097546 556661685 /nfs/dbraw/zinc/66/16/85/556661685.db2.gz RKWKDCLISILSPL-UHFFFAOYSA-N 0 0 431.517 5.268 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc2c(Cl)cccc12 ZINC000017097807 556662315 /nfs/dbraw/zinc/66/23/15/556662315.db2.gz KSTKNQGEBWUKME-UHFFFAOYSA-N 0 0 432.310 6.942 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000033013036 556662368 /nfs/dbraw/zinc/66/23/68/556662368.db2.gz IIUSPNFKNBEUAU-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000033013034 556662405 /nfs/dbraw/zinc/66/24/05/556662405.db2.gz XLPSFEZWJMNSOM-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN O=C1N[C@@H](c2ccccn2)Nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000017097897 556662529 /nfs/dbraw/zinc/66/25/29/556662529.db2.gz AZXNZNFWAZIGJT-INIZCTEOSA-N 0 0 432.452 5.293 50 0 IKAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033013261 556662580 /nfs/dbraw/zinc/66/25/80/556662580.db2.gz OQTJYYMPSGQUHU-UHFFFAOYSA-N 0 0 447.466 5.267 50 0 IKAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccccc1C ZINC000033013152 556662583 /nfs/dbraw/zinc/66/25/83/556662583.db2.gz BYABETDTBRGONL-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000011852697 556662591 /nfs/dbraw/zinc/66/25/91/556662591.db2.gz KBWJURRELOLCCV-HHHXNRCGSA-N 0 0 434.543 5.854 50 0 IKAARN Fc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000017098305 556663021 /nfs/dbraw/zinc/66/30/21/556663021.db2.gz ILJJEVIIQYZZPE-UHFFFAOYSA-N 0 0 433.260 6.990 50 0 IKAARN Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccncc2)CCCC4)cc1 ZINC000017098620 556663543 /nfs/dbraw/zinc/66/35/43/556663543.db2.gz KNACKOLSLLUZAC-UHFFFAOYSA-N 0 0 433.602 5.381 50 0 IKAARN CN(C)C(=O)Oc1cc(OC/C=C/c2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000011865301 556664431 /nfs/dbraw/zinc/66/44/31/556664431.db2.gz HWMKPZFOZMPVLV-FMIVXFBMSA-N 0 0 441.483 5.613 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000017099186 556664483 /nfs/dbraw/zinc/66/44/83/556664483.db2.gz QUCBRXBTRUSUBQ-PSWAGMNNSA-N 0 0 434.624 5.753 50 0 IKAARN O=C(/C=C/c1c(F)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017099304 556664500 /nfs/dbraw/zinc/66/45/00/556664500.db2.gz QPAFKBVURNAIMD-CCEZHUSRSA-N 0 0 434.942 5.426 50 0 IKAARN CC(C)(C)C(=O)Nc1c2cc(Br)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000011865305 556664539 /nfs/dbraw/zinc/66/45/39/556664539.db2.gz GIRANNZKOXRVQT-UHFFFAOYSA-N 0 0 434.717 6.064 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3nc(-c4ccccc4)cs3)n2)c(C)c1 ZINC000017099688 556664883 /nfs/dbraw/zinc/66/48/83/556664883.db2.gz NIBPXWYXPCRZHP-UHFFFAOYSA-N 0 0 435.596 7.563 50 0 IKAARN COc1ccc(-c2coc3c(C)c(OCC(=O)Nc4cc(C)cc(C)c4)ccc3c2=O)cc1 ZINC000011865157 556664931 /nfs/dbraw/zinc/66/49/31/556664931.db2.gz LWDNZZWPMLOVSJ-UHFFFAOYSA-N 0 0 443.499 5.411 50 0 IKAARN CCCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017099903 556665217 /nfs/dbraw/zinc/66/52/17/556665217.db2.gz AMBONZBAERDRPY-CYBMUJFWSA-N 0 0 436.021 6.626 50 0 IKAARN CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000017100553 556665391 /nfs/dbraw/zinc/66/53/91/556665391.db2.gz LIFXFFUIAGYACD-UHFFFAOYSA-N 0 0 436.562 5.418 50 0 IKAARN CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000017100561 556665407 /nfs/dbraw/zinc/66/54/07/556665407.db2.gz DMWOKOFVLQNSLT-UHFFFAOYSA-N 0 0 436.562 5.418 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCc2ccccc2C1 ZINC000017100733 556665687 /nfs/dbraw/zinc/66/56/87/556665687.db2.gz FYGAEPOFBSDBMP-UHFFFAOYSA-N 0 0 436.602 5.271 50 0 IKAARN CCc1c(C)sc(NC(=O)c2cc(SC)ccc2Cl)c1C(=O)N1CCCCC1 ZINC000017101021 556665916 /nfs/dbraw/zinc/66/59/16/556665916.db2.gz HDYGKCPMYCSUJY-UHFFFAOYSA-N 0 0 437.030 5.873 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000017101154 556665919 /nfs/dbraw/zinc/66/59/19/556665919.db2.gz IZQBMSTYHCKHQS-VOMDNODZSA-N 0 0 437.326 6.297 50 0 IKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 ZINC000017101686 556666141 /nfs/dbraw/zinc/66/61/41/556666141.db2.gz RWSACKDSFXPTFP-RUDMXATFSA-N 0 0 437.721 5.112 50 0 IKAARN COc1ccc(COc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)cc1 ZINC000011866220 556666216 /nfs/dbraw/zinc/66/62/16/556666216.db2.gz PVQHUEPJARDFKW-UHFFFAOYSA-N 0 0 432.472 5.373 50 0 IKAARN Cc1c2cc(OC(=O)c3ccco3)ccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000011866280 556666235 /nfs/dbraw/zinc/66/62/35/556666235.db2.gz WHAZDAMSAZJMOS-UHFFFAOYSA-N 0 0 425.234 5.343 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)cc1 ZINC000011866348 556666421 /nfs/dbraw/zinc/66/64/21/556666421.db2.gz SMSQYZDUNWLKJC-UHFFFAOYSA-N 0 0 436.870 5.896 50 0 IKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1 ZINC000011866356 556666550 /nfs/dbraw/zinc/66/65/50/556666550.db2.gz AOPNMUIWSBODBE-UHFFFAOYSA-N 0 0 439.870 6.403 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1 ZINC000011866349 556666571 /nfs/dbraw/zinc/66/65/71/556666571.db2.gz LBSQZSNMXSBGSB-UHFFFAOYSA-N 0 0 436.870 5.896 50 0 IKAARN CCOC(=O)[C@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 ZINC000011866618 556666784 /nfs/dbraw/zinc/66/67/84/556666784.db2.gz CCVSZEVPEMJNRL-AREMUKBSSA-N 0 0 442.511 5.684 50 0 IKAARN Cc1ccccc1-c1nc(CSc2nnc(-c3csc4c3CCCC4)n2C)cs1 ZINC000017102736 556666910 /nfs/dbraw/zinc/66/69/10/556666910.db2.gz ONMIIDIKJZDSKL-UHFFFAOYSA-N 0 0 438.647 6.147 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(Cl)cc1C ZINC000017102845 556666915 /nfs/dbraw/zinc/66/69/15/556666915.db2.gz QQQLIZLOTUPUEN-UHFFFAOYSA-N 0 0 438.936 5.951 50 0 IKAARN O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000017102831 556666923 /nfs/dbraw/zinc/66/69/23/556666923.db2.gz LAHXXZGSFDLMJH-UHFFFAOYSA-N 0 0 438.918 6.052 50 0 IKAARN CCn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000017102728 556666961 /nfs/dbraw/zinc/66/69/61/556666961.db2.gz KUMNFEWPVPLKSE-UHFFFAOYSA-N 0 0 438.641 5.405 50 0 IKAARN COc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017103157 556667235 /nfs/dbraw/zinc/66/72/35/556667235.db2.gz AEIIWPHCIZLUMS-UHFFFAOYSA-N 0 0 439.342 6.589 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc4c(cc32)CCC2(CCC(C(C)(C)C)CC2)O4)cc1 ZINC000011867453 556667537 /nfs/dbraw/zinc/66/75/37/556667537.db2.gz LYJBCGOXCOLXHJ-UHFFFAOYSA-N 0 0 432.560 6.769 50 0 IKAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000011867907 556667585 /nfs/dbraw/zinc/66/75/85/556667585.db2.gz ZXTCFHJLUYHJEQ-UHFFFAOYSA-N 0 0 425.868 5.361 50 0 IKAARN Cc1oc2c(cc3c(C)c(CC(=O)NCc4ccco4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000011867595 556667605 /nfs/dbraw/zinc/66/76/05/556667605.db2.gz RYLCPNQZDISKFK-UHFFFAOYSA-N 0 0 441.483 5.583 50 0 IKAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000261495021 556667662 /nfs/dbraw/zinc/66/76/62/556667662.db2.gz NOPJWLPYUNXZTF-UHFFFAOYSA-N 0 0 447.269 5.528 50 0 IKAARN COc1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000100763983 556668097 /nfs/dbraw/zinc/66/80/97/556668097.db2.gz PYRDFTNFJDJJSI-UHFFFAOYSA-N 0 0 432.476 5.151 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1F ZINC000017121041 556668451 /nfs/dbraw/zinc/66/84/51/556668451.db2.gz CIQVHUXBVKWYFF-UHFFFAOYSA-N 0 0 426.904 5.228 50 0 IKAARN COc1cccc(-c2cn3c(C(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)c1 ZINC000011902291 556669736 /nfs/dbraw/zinc/66/97/36/556669736.db2.gz ZCAKHTBBLQDRMB-UHFFFAOYSA-N 0 0 433.411 5.222 50 0 IKAARN O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 ZINC000011910731 556670023 /nfs/dbraw/zinc/67/00/23/556670023.db2.gz WGHTUCRRSNWXGH-UHFFFAOYSA-N 0 0 437.518 5.970 50 0 IKAARN Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)S2)cc1 ZINC000017147646 556670135 /nfs/dbraw/zinc/67/01/35/556670135.db2.gz UVOVCYCROCDOQI-HNNXBMFYSA-N 0 0 441.862 5.106 50 0 aggregator IKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 ZINC000017154493 556670236 /nfs/dbraw/zinc/67/02/36/556670236.db2.gz LHNVROSKACPLPQ-BGYRXZFFSA-N 0 0 432.520 5.115 50 0 IKAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000017154579 556670259 /nfs/dbraw/zinc/67/02/59/556670259.db2.gz HIECBBCKCDLIKI-UHFFFAOYSA-N 0 0 429.903 6.375 50 0 IKAARN O=C1NC(=S)SC1=CC1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 ZINC000017162481 556670739 /nfs/dbraw/zinc/67/07/39/556670739.db2.gz SRJBWPHRVUAJIX-VAZXNAHHSA-N 0 0 427.550 6.494 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1cccc2ccccc21 ZINC000017197738 556672815 /nfs/dbraw/zinc/67/28/15/556672815.db2.gz ZHYCDPOQKOCTHY-CFZJULNLSA-N 0 0 434.583 7.694 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)c(C)c1 ZINC000011916300 556673047 /nfs/dbraw/zinc/67/30/47/556673047.db2.gz VQKQOLZKNPRCRO-UHFFFAOYSA-N 0 0 428.355 5.401 50 0 IKAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000011916278 556673052 /nfs/dbraw/zinc/67/30/52/556673052.db2.gz NAVHDFBFFBNTBG-UHFFFAOYSA-N 0 0 448.773 5.746 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Br)cc2)cc1 ZINC000011916257 556673096 /nfs/dbraw/zinc/67/30/96/556673096.db2.gz OKKSHNUOBZTJRG-UHFFFAOYSA-N 0 0 432.339 5.131 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1 ZINC000011914649 556673817 /nfs/dbraw/zinc/67/38/17/556673817.db2.gz LKTSFCVQDNOKNX-UHFFFAOYSA-N 0 0 447.512 5.567 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000017265249 556674211 /nfs/dbraw/zinc/67/42/11/556674211.db2.gz HDRLSWSVJAQBLU-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1[nH]c2ccccc2c1Br ZINC000032932587 556675787 /nfs/dbraw/zinc/67/57/87/556675787.db2.gz RFBQJNNGAHQKGM-GOSISDBHSA-N 0 0 429.314 5.650 50 0 IKAARN Cc1cc([C@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3cccc(C)c3)c2=S)on1 ZINC000032932615 556675896 /nfs/dbraw/zinc/67/58/96/556675896.db2.gz VDCURGUTZRLNIA-OAQYLSRUSA-N 0 0 431.565 5.470 50 0 IKAARN CCc1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4cccc(F)c4)c3C)n2)cc1 ZINC000033019423 556676080 /nfs/dbraw/zinc/67/60/80/556676080.db2.gz FKFUMLATEYFZLJ-UHFFFAOYSA-N 0 0 448.567 5.419 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3sccc3C(=O)c3ccccc3)cs2)cc1 ZINC000032931809 556676609 /nfs/dbraw/zinc/67/66/09/556676609.db2.gz PQFNZPRZYLTSBM-UHFFFAOYSA-N 0 0 448.569 5.504 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100817207 556677048 /nfs/dbraw/zinc/67/70/48/556677048.db2.gz BCSMSLRKNSRDKN-JOCHJYFZSA-N 0 0 432.886 5.802 50 0 IKAARN COc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000100817217 556677081 /nfs/dbraw/zinc/67/70/81/556677081.db2.gz QWEXDKDKSIRARK-QFIPXVFZSA-N 0 0 449.341 6.317 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000017445229 556677489 /nfs/dbraw/zinc/67/74/89/556677489.db2.gz FUTWXPSZLPRXIS-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN CCc1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NO2)cc1 ZINC000032934830 556677658 /nfs/dbraw/zinc/67/76/58/556677658.db2.gz ITWATXILPAXGNQ-QHCPKHFHSA-N 0 0 428.919 6.277 50 0 IKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935122 556678067 /nfs/dbraw/zinc/67/80/67/556678067.db2.gz ACGOQXJLRCGHNV-JOCHJYFZSA-N 0 0 427.907 5.509 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@@H](c2ccc3nccnc3c2)C1 ZINC000032936392 556678736 /nfs/dbraw/zinc/67/87/36/556678736.db2.gz WXYZQPPNRRMUSP-HSZRJFAPSA-N 0 0 442.906 5.283 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCC(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000017987124 556680573 /nfs/dbraw/zinc/68/05/73/556680573.db2.gz APSPTYBBSCBBKP-KNZRVBFXSA-N 0 0 446.547 5.151 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Oc3ccccc3)cc1)C1c3ccccc3C2c2ccccc21 ZINC000017987927 556681226 /nfs/dbraw/zinc/68/12/26/556681226.db2.gz WNUQPIXOKYTGES-SALAOISXSA-N 0 0 443.502 5.876 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2onc3c2CCCC3)cc1C ZINC000426388103 556682423 /nfs/dbraw/zinc/68/24/23/556682423.db2.gz BAEKITOSGIREDL-VWLOTQADSA-N 0 0 441.531 5.140 50 0 IKAARN CCCCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000018068506 556682831 /nfs/dbraw/zinc/68/28/31/556682831.db2.gz QNXQIEXQGLIJBX-NJYVYQBISA-N 0 0 447.362 5.642 50 0 IKAARN CCCC(=O)C1=C(Nc2ccc(NC3=C(C(=O)CCC)C(=O)CCC3)cc2)CCCC1=O ZINC000000721592 556683286 /nfs/dbraw/zinc/68/32/86/556683286.db2.gz ANDSPHIIEWWMFF-UHFFFAOYSA-N 0 0 436.552 5.263 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000018079033 556683319 /nfs/dbraw/zinc/68/33/19/556683319.db2.gz FXCGBIURGSVELM-UHFFFAOYSA-N 0 0 438.664 5.023 50 0 IKAARN CC1C[C@@H](C)N(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@@H](C)C1 ZINC000018084247 556683413 /nfs/dbraw/zinc/68/34/13/556683413.db2.gz BPVZMEUAWQSYSP-GOOCMWNKSA-N 0 0 442.485 5.163 50 0 IKAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013525108 556683475 /nfs/dbraw/zinc/68/34/75/556683475.db2.gz KVUSJJOXGOMDEH-UHFFFAOYSA-N 0 0 435.567 7.235 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000018089470 556683583 /nfs/dbraw/zinc/68/35/83/556683583.db2.gz PYABQJXVKPIZGM-WMPKNSHKSA-N 0 0 428.482 6.143 50 0 IKAARN CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\C=C1\SC(=S)N(C)C1=O ZINC000001803728 556683931 /nfs/dbraw/zinc/68/39/31/556683931.db2.gz ZDXRDUUIYLUIBE-CBSGOVTASA-N 0 0 436.627 5.797 50 0 IKAARN CCCn1c(CCc2ccccc2NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 ZINC000033019751 556684527 /nfs/dbraw/zinc/68/45/27/556684527.db2.gz IEELMGPPWVQSCJ-UHFFFAOYSA-N 0 0 427.548 5.421 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1OCC ZINC000033019845 556684905 /nfs/dbraw/zinc/68/49/05/556684905.db2.gz ITHZVYDAZIYSKB-UHFFFAOYSA-N 0 0 443.547 5.408 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc3c(c(-c4cccs4)c12)CC/C3=C/c1cccs1 ZINC000226760045 556685436 /nfs/dbraw/zinc/68/54/36/556685436.db2.gz RTVPJTFTVBLCJL-ICFOKQHNSA-N 0 0 425.582 7.006 50 0 IKAARN Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(Br)cc32)cc1 ZINC000045329098 556686023 /nfs/dbraw/zinc/68/60/23/556686023.db2.gz PUGVEXPXLSEEOS-UHFFFAOYSA-N 0 0 425.369 7.429 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)c(N)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002141687 556686404 /nfs/dbraw/zinc/68/64/04/556686404.db2.gz WPOVVLWIVPPTQZ-UHFFFAOYSA-N 0 0 427.547 7.945 50 0 IKAARN Clc1ccccc1CSCc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)o1 ZINC000033021816 556686534 /nfs/dbraw/zinc/68/65/34/556686534.db2.gz KEEMLHYWOAQTEW-UHFFFAOYSA-N 0 0 426.881 5.812 50 0 IKAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(SC)cc4)no3)nn2)cc1 ZINC000033022028 556686621 /nfs/dbraw/zinc/68/66/21/556686621.db2.gz UIDYNWZTUIYOCH-UHFFFAOYSA-N 0 0 436.562 5.607 50 0 IKAARN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000002184892 556686769 /nfs/dbraw/zinc/68/67/69/556686769.db2.gz PVVHWUQRMFXSOI-IWIPYMOSSA-N 0 0 444.556 5.783 50 0 IKAARN Cc1ccccc1-c1noc(CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)n1 ZINC000033022161 556686915 /nfs/dbraw/zinc/68/69/15/556686915.db2.gz WWWMEEYUDXLVRN-UHFFFAOYSA-N 0 0 442.588 6.842 50 0 IKAARN CSc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1 ZINC000033021930 556687045 /nfs/dbraw/zinc/68/70/45/556687045.db2.gz FWMOSILHVBZNCR-UHFFFAOYSA-N 0 0 426.954 5.861 50 0 IKAARN CNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(C(C)(C)C)cc1 ZINC000097656618 556688402 /nfs/dbraw/zinc/68/84/02/556688402.db2.gz OQSIMBLVJMPKNM-MNDPQUGUSA-N 0 0 442.559 5.312 50 0 IKAARN O=C(NCCCCCCCCNC(=O)[C@H]1C[C@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000018280844 556689123 /nfs/dbraw/zinc/68/91/23/556689123.db2.gz XKNUGCDRQZPWHO-POYMRFPPSA-N 0 0 432.608 5.167 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1C ZINC000046006000 556690054 /nfs/dbraw/zinc/69/00/54/556690054.db2.gz JZVDWDWORLTANN-UHFFFAOYSA-N 0 0 428.536 5.316 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)Nc1cccc(C)c1 ZINC000046006177 556690055 /nfs/dbraw/zinc/69/00/55/556690055.db2.gz JVEGAPWMIGCYNE-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(F)c1 ZINC000046005925 556690080 /nfs/dbraw/zinc/69/00/80/556690080.db2.gz LDYKMSLOYBLATN-UHFFFAOYSA-N 0 0 432.499 5.146 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)Nc1cccc(F)c1 ZINC000046006095 556690091 /nfs/dbraw/zinc/69/00/91/556690091.db2.gz FMEWLKPBVVYIMW-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@H]2c1ccsc1 ZINC000001031654 556690143 /nfs/dbraw/zinc/69/01/43/556690143.db2.gz CJKAFBASOMOXFY-LJQANCHMSA-N 0 0 443.494 5.708 50 0 IKAARN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1 ZINC000001060672 556690248 /nfs/dbraw/zinc/69/02/48/556690248.db2.gz VTQLZGLULGXXFO-WOJGMQOQSA-N 0 0 426.450 5.400 50 0 IKAARN CCc1cccc(NC(=O)CCc2c(C)c3c(C)nn(-c4ccc(C)cc4)c3nc2OC)c1 ZINC000046006438 556690349 /nfs/dbraw/zinc/69/03/49/556690349.db2.gz MRPNZNIUJSPUJH-UHFFFAOYSA-N 0 0 442.563 5.488 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)c(F)c1 ZINC000046006626 556690626 /nfs/dbraw/zinc/69/06/26/556690626.db2.gz JSGDLNWGEOWGBH-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000046009168 556690928 /nfs/dbraw/zinc/69/09/28/556690928.db2.gz YNTZJDVAOSJCOO-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(C)cc1C ZINC000046009201 556690985 /nfs/dbraw/zinc/69/09/85/556690985.db2.gz CEZFWWZRTXLRQC-UHFFFAOYSA-N 0 0 446.526 5.373 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000756432 556692593 /nfs/dbraw/zinc/69/25/93/556692593.db2.gz OQSQGYXRSWJRDH-UHFFFAOYSA-N 0 0 433.393 5.216 50 0 IKAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000046141362 556692797 /nfs/dbraw/zinc/69/27/97/556692797.db2.gz PNOVBVFTFCOECO-UHFFFAOYSA-N 0 0 447.557 5.081 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cccc12)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000753751 556692926 /nfs/dbraw/zinc/69/29/26/556692926.db2.gz PNVFCFVHVYRXRA-POTDNYQPSA-N 0 0 446.550 6.324 50 0 IKAARN C[C@@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000072313255 556693252 /nfs/dbraw/zinc/69/32/52/556693252.db2.gz WLIZSTYYNFWUQP-IBGZPJMESA-N 0 0 439.987 5.362 50 0 IKAARN CC(C)(C)c1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C(C)(C)C)p1 ZINC000071775216 556694173 /nfs/dbraw/zinc/69/41/73/556694173.db2.gz SDXPBIVHPYDJQH-UHFFFAOYSA-N 0 0 436.579 9.863 50 0 IKAARN Cc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1C ZINC000024249566 556696622 /nfs/dbraw/zinc/69/66/22/556696622.db2.gz QYMZZBLCVWZWQE-UHFFFAOYSA-N 0 0 427.348 5.779 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000137609867 556697553 /nfs/dbraw/zinc/69/75/53/556697553.db2.gz UNPWUJZCWFCHDA-YTFSRNRJSA-N 0 0 432.907 5.008 50 0 IKAARN C[C@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)N[C@@H](C)Cc1ccccc1 ZINC000013562360 556697723 /nfs/dbraw/zinc/69/77/23/556697723.db2.gz AVBUWOHKTKLQNV-PSWAGMNNSA-N 0 0 436.640 5.602 50 0 IKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)n2)c1 ZINC000033025097 556698212 /nfs/dbraw/zinc/69/82/12/556698212.db2.gz DTMBCSRMAUMIFE-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)c1 ZINC000033025111 556698252 /nfs/dbraw/zinc/69/82/52/556698252.db2.gz DAOCFEHAXXFUME-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CC(C)(C)C(=O)Nc1ccc(-c2ccnc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1 ZINC000000819820 556698813 /nfs/dbraw/zinc/69/88/13/556698813.db2.gz IVZQMPYXEFRNFA-UHFFFAOYSA-N 0 0 430.552 5.780 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)n2)cc1 ZINC000033025281 556699619 /nfs/dbraw/zinc/69/96/19/556699619.db2.gz MCEDTOXOPZJQKU-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN O=C(Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1)C1CCCCC1 ZINC000033025866 556701446 /nfs/dbraw/zinc/70/14/46/556701446.db2.gz YRMOXTGQCNPYCC-UHFFFAOYSA-N 0 0 427.957 5.159 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc2nccnc21 ZINC000072314540 556702197 /nfs/dbraw/zinc/70/21/97/556702197.db2.gz CEMLVBJBRKJDJJ-QFIPXVFZSA-N 0 0 443.963 5.831 50 0 IKAARN COc1ccc(-c2c(N)oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 ZINC000013609475 556702626 /nfs/dbraw/zinc/70/26/26/556702626.db2.gz SMIZHCZFVBXEPM-UHFFFAOYSA-N 0 0 442.298 5.937 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1 ZINC000033026592 556702786 /nfs/dbraw/zinc/70/27/86/556702786.db2.gz YVOISPQTNKQVFT-UHFFFAOYSA-N 0 0 430.533 5.248 50 0 IKAARN CCCc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026807 556703771 /nfs/dbraw/zinc/70/37/71/556703771.db2.gz XZULLSKHJAVYCF-UHFFFAOYSA-N 0 0 437.503 5.589 50 0 IKAARN CCCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026810 556703873 /nfs/dbraw/zinc/70/38/73/556703873.db2.gz FACRBFMKGRGNQP-UHFFFAOYSA-N 0 0 437.503 5.589 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@H]1c1ccccc1C ZINC000072314638 556704120 /nfs/dbraw/zinc/70/41/20/556704120.db2.gz HQZHGPGOTBPKFK-VWLOTQADSA-N 0 0 435.527 5.510 50 0 IKAARN CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628355 556704712 /nfs/dbraw/zinc/70/47/12/556704712.db2.gz OBYDFXGNIYTZNR-UHFFFAOYSA-N 0 0 430.548 6.278 50 0 IKAARN 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 ZINC000043763872 556707449 /nfs/dbraw/zinc/70/74/49/556707449.db2.gz ZGLHBRQAEXKACO-KCHDVRJGSA-N 0 0 428.657 5.727 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)c2)cc1 ZINC000033027769 556708116 /nfs/dbraw/zinc/70/81/16/556708116.db2.gz NJPNQRCWOBSWSW-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(Cc2cnc(NC(=O)c3cnn(C(C)C)c3C(F)(F)F)s2)cc1Cl ZINC000060337149 556708426 /nfs/dbraw/zinc/70/84/26/556708426.db2.gz RYXNCEGVCNMYSU-UHFFFAOYSA-N 0 0 442.894 5.744 50 0 IKAARN COc1cc([C@@H](C)NC(=O)c2cnn(C(C)C)c2C(F)(F)F)ccc1OCC(C)C ZINC000060337212 556708552 /nfs/dbraw/zinc/70/85/52/556708552.db2.gz IFDVQYIOTCTAQK-CQSZACIVSA-N 0 0 427.467 5.017 50 0 IKAARN COc1ccc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)cc1NC(=O)OC(C)(C)C ZINC000060337226 556708607 /nfs/dbraw/zinc/70/86/07/556708607.db2.gz QBADMIPBENGJJC-UHFFFAOYSA-N 0 0 442.438 5.091 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC4=CCCCC4)c3)C2)cc1 ZINC000033034881 556716666 /nfs/dbraw/zinc/71/66/66/556716666.db2.gz WJROBJRHEADZEZ-HHHXNRCGSA-N 0 0 444.619 5.889 50 0 IKAARN CC(C)(C)C(=O)N[C@@H](N(Cc1ccccc1)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000019228382 556717428 /nfs/dbraw/zinc/71/74/28/556717428.db2.gz USOJXADMFBVUAQ-SFHVURJKSA-N 0 0 427.803 5.547 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccco4)c3)C2)cc1 ZINC000033035091 556717631 /nfs/dbraw/zinc/71/76/31/556717631.db2.gz YFMSBQIKLOGWDD-OAQYLSRUSA-N 0 0 447.535 5.020 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)CCc4cc(Cl)no4)ccc3c2C)cc1 ZINC000013726964 556718369 /nfs/dbraw/zinc/71/83/69/556718369.db2.gz LVNMJRGSELIIPR-UHFFFAOYSA-N 0 0 438.867 5.194 50 0 IKAARN O=C(CCc1ccccc1)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 ZINC000033036050 556718639 /nfs/dbraw/zinc/71/86/39/556718639.db2.gz PFLXHUSPDIJIQJ-UHFFFAOYSA-N 0 0 448.979 5.702 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 ZINC000033036048 556718675 /nfs/dbraw/zinc/71/86/75/556718675.db2.gz ZBDPVABCAXBYGV-UHFFFAOYSA-N 0 0 434.952 5.312 50 0 IKAARN Cc1ccccc1CNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035847 556718679 /nfs/dbraw/zinc/71/86/79/556718679.db2.gz YPCLXNWOWHEKDF-XMMPIXPASA-N 0 0 427.548 5.337 50 0 IKAARN Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2NC(=O)C(C)C)cc1 ZINC000033036194 556718987 /nfs/dbraw/zinc/71/89/87/556718987.db2.gz VTPSMNQMOMJDCP-UHFFFAOYSA-N 0 0 445.386 5.143 50 0 IKAARN Fc1cccc(Cl)c1Cn1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)n1 ZINC000013330332 556719104 /nfs/dbraw/zinc/71/91/04/556719104.db2.gz NDLVPFNRZVGLQQ-UHFFFAOYSA-N 0 0 428.842 5.552 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011139403 556719629 /nfs/dbraw/zinc/71/96/29/556719629.db2.gz CJLQXPNEPJNNPU-NSHDSACASA-N 0 0 427.715 5.180 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc(OCC)c1OCC ZINC000033036460 556719716 /nfs/dbraw/zinc/71/97/16/556719716.db2.gz IRBBZONQVAIOMB-UHFFFAOYSA-N 0 0 444.531 6.283 50 0 IKAARN CSc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000011140487 556720164 /nfs/dbraw/zinc/72/01/64/556720164.db2.gz XXUBAYJYSJJARX-HNNXBMFYSA-N 0 0 434.533 5.051 50 0 IKAARN CSc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000011140513 556720223 /nfs/dbraw/zinc/72/02/23/556720223.db2.gz XXUBAYJYSJJARX-OAHLLOKOSA-N 0 0 434.533 5.051 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N(C)c2ccc(C)cc2)cc1 ZINC000033037114 556720400 /nfs/dbraw/zinc/72/04/00/556720400.db2.gz JJMPOPCJZXNBHA-UHFFFAOYSA-N 0 0 438.531 5.391 50 0 IKAARN COc1ccc(-c2coc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)c2=O)cc1OC ZINC000013730374 556720423 /nfs/dbraw/zinc/72/04/23/556720423.db2.gz PPUAZMNIWYNNGW-KRWDZBQOSA-N 0 0 443.499 5.390 50 0 biogenic IKAARN COc1ccccc1NC(=O)c1ccc(-n2nc(C)c(-c3ccccc3)c2NC(C)=O)cc1 ZINC000033037128 556720708 /nfs/dbraw/zinc/72/07/08/556720708.db2.gz RQZKJMMNYGFBMP-UHFFFAOYSA-N 0 0 440.503 5.067 50 0 IKAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(CCCc2ccccc2)CO4)cc1 ZINC000013735207 556721855 /nfs/dbraw/zinc/72/18/55/556721855.db2.gz KBGVZSCAUSKLQZ-UHFFFAOYSA-N 0 0 427.500 5.253 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000033037171 556722090 /nfs/dbraw/zinc/72/20/90/556722090.db2.gz XETPTGSSHFQQQA-SFHVURJKSA-N 0 0 430.552 5.129 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2ncccc2C)cc1 ZINC000033037143 556722146 /nfs/dbraw/zinc/72/21/46/556722146.db2.gz VWPPXHKGSAGRNP-UHFFFAOYSA-N 0 0 439.519 5.070 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc([C@H](NC(=O)c4ccco4)C(C)C)n3)cc12 ZINC000033037401 556722753 /nfs/dbraw/zinc/72/27/53/556722753.db2.gz SWMIJZKFQTVFAB-LJQANCHMSA-N 0 0 447.520 5.166 50 0 IKAARN COc1ccc(CN(CC[C@H]2CC(C)(C)OC[C@H]2c2ccccc2)C(C)=O)cc1OC ZINC000004616543 556723948 /nfs/dbraw/zinc/72/39/48/556723948.db2.gz KWLNJGMDUQTJML-GOTSBHOMSA-N 0 0 425.569 5.041 50 0 IKAARN O=C(Nc1ccccc1Cl)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038148 556723971 /nfs/dbraw/zinc/72/39/71/556723971.db2.gz RSPALUPPLIBKPC-UHFFFAOYSA-N 0 0 432.911 5.374 50 0 IKAARN CC[C@H](C(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1)c1ccccc1 ZINC000033038125 556723980 /nfs/dbraw/zinc/72/39/80/556723980.db2.gz VTFCDQOIJMTKLI-NRFANRHFSA-N 0 0 425.532 5.209 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000072328280 556724926 /nfs/dbraw/zinc/72/49/26/556724926.db2.gz XHQSGKKFEABUHX-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)c(OC)c1 ZINC000072328463 556725835 /nfs/dbraw/zinc/72/58/35/556725835.db2.gz SYNFNWBYZSXMIE-UHFFFAOYSA-N 0 0 439.943 5.144 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1Cl)N1CCCCC1 ZINC000072328474 556725943 /nfs/dbraw/zinc/72/59/43/556725943.db2.gz BGLGDIZMJYPOLW-UHFFFAOYSA-N 0 0 432.326 5.919 50 0 IKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(Br)cc1 ZINC000072328534 556725957 /nfs/dbraw/zinc/72/59/57/556725957.db2.gz OCKDGUKRYSIXPH-UHFFFAOYSA-N 0 0 446.776 5.745 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCSCC1 ZINC000072328509 556725959 /nfs/dbraw/zinc/72/59/59/556725959.db2.gz KQBUQIJWWQUOCV-UHFFFAOYSA-N 0 0 449.473 5.194 50 0 IKAARN COc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000072328618 556726145 /nfs/dbraw/zinc/72/61/45/556726145.db2.gz NNTCMEJPMAXKMR-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN CC(C)Oc1ccc(NC(=O)c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000013763478 556728725 /nfs/dbraw/zinc/72/87/25/556728725.db2.gz NWIACDVRWGHNAT-UHFFFAOYSA-N 0 0 433.548 5.848 50 0 IKAARN Cc1ccc(N(C)C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000060352294 556729470 /nfs/dbraw/zinc/72/94/70/556729470.db2.gz MIHAPEREIXGMDE-UHFFFAOYSA-N 0 0 442.466 5.600 50 0 IKAARN S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000054254203 556729524 /nfs/dbraw/zinc/72/95/24/556729524.db2.gz ZBOIPRCCXAOPMC-JXMROGBWSA-N 0 0 428.605 5.458 50 0 IKAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)c(C)s1)c1cccs1 ZINC000011148168 556730680 /nfs/dbraw/zinc/73/06/80/556730680.db2.gz YTKIZKJEAVSTGF-GOSISDBHSA-N 0 0 427.595 5.311 50 0 IKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)cc3Br)c2c1 ZINC000072331983 556731059 /nfs/dbraw/zinc/73/10/59/556731059.db2.gz HGIPWWJQLPGXLM-UHFFFAOYSA-N 0 0 441.354 5.221 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000033922097 556731353 /nfs/dbraw/zinc/73/13/53/556731353.db2.gz UYDKTHGOXQYNCN-JYRVWZFOSA-N 0 0 427.447 6.557 50 0 IKAARN CCCCOc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)c(C)s3)n2)cc1 ZINC000033040024 556731785 /nfs/dbraw/zinc/73/17/85/556731785.db2.gz HLHPSLIZRYLVNC-UHFFFAOYSA-N 0 0 441.021 7.741 50 0 IKAARN O=C(NCc1ccco1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033040636 556732006 /nfs/dbraw/zinc/73/20/06/556732006.db2.gz SYSHZJHQTFNSLI-DEOSSOPVSA-N 0 0 443.572 5.825 50 0 IKAARN CC1=CC(C)(C)N(C(=O)/C=C\c2ccccc2)c2ccc(OC(=O)/C=C/c3ccccc3)cc21 ZINC000033926849 556733533 /nfs/dbraw/zinc/73/35/33/556733533.db2.gz IIFVKEOOJCVEJF-KPNKYRRCSA-N 0 0 449.550 6.547 50 0 IKAARN O=C(Nc1ccccc1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccs1)CCCC3 ZINC000033042565 556733918 /nfs/dbraw/zinc/73/39/18/556733918.db2.gz UTVSIYSZTNKHNV-QHCPKHFHSA-N 0 0 445.613 6.616 50 0 IKAARN Cc1cc(-c2cc(C(=O)N(C)[C@@H](C)c3sc(C)nc3C)c3c(C)noc3n2)c(C)s1 ZINC000078609501 556734972 /nfs/dbraw/zinc/73/49/72/556734972.db2.gz OTRNASQJUZZYCJ-ZDUSSCGKSA-N 0 0 440.594 5.783 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(SC)c1)CCCC3 ZINC000033042927 556735890 /nfs/dbraw/zinc/73/58/90/556735890.db2.gz NBMYWTCUVBJBDF-FQEVSTJZSA-N 0 0 437.634 6.638 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc2c1CCCC2)CCCC3 ZINC000033042905 556735952 /nfs/dbraw/zinc/73/59/52/556735952.db2.gz NCASCJQXAGUEMK-QHCPKHFHSA-N 0 0 445.632 6.795 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc2c1CCCC2)CCCC3 ZINC000033042907 556735957 /nfs/dbraw/zinc/73/59/57/556735957.db2.gz NCASCJQXAGUEMK-HSZRJFAPSA-N 0 0 445.632 6.795 50 0 IKAARN Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@@H](c3nccs3)C3CC3)c2c1C ZINC000078903345 556736221 /nfs/dbraw/zinc/73/62/21/556736221.db2.gz UVHBJHWATQVZOX-LJQANCHMSA-N 0 0 427.643 5.560 50 0 IKAARN COc1ccc(F)c(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)o2)c1 ZINC000055154853 556736404 /nfs/dbraw/zinc/73/64/04/556736404.db2.gz KKARNCHNSKEIQG-UHFFFAOYSA-N 0 0 449.448 5.139 50 0 IKAARN CCC12CN3CC(CC)(CN(C1)C3c1c(C)n(Cc3ccccc3)c3ccccc31)C2=O ZINC000019325108 556736551 /nfs/dbraw/zinc/73/65/51/556736551.db2.gz PBOCFORCZLHBKW-UHFFFAOYSA-N 0 0 427.592 5.003 50 0 IKAARN CCO[C@@H]1C[C@H](NCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C12CCCCC2 ZINC000078989961 556736690 /nfs/dbraw/zinc/73/66/90/556736690.db2.gz IWTVFJOUHWPWNG-LEWJYISDSA-N 0 0 448.032 5.699 50 0 IKAARN CN(Cc1nc(-c2cccnc2)no1)c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000079017541 556736945 /nfs/dbraw/zinc/73/69/45/556736945.db2.gz KRWOMRNFEBYTLK-UHFFFAOYSA-N 0 0 440.532 5.317 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c(Cl)c1 ZINC000033042979 556737657 /nfs/dbraw/zinc/73/76/57/556737657.db2.gz YWXGBUVYJUPKRB-OAHLLOKOSA-N 0 0 425.985 6.488 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c(Cl)c1 ZINC000033042977 556737705 /nfs/dbraw/zinc/73/77/05/556737705.db2.gz YWXGBUVYJUPKRB-HNNXBMFYSA-N 0 0 425.985 6.488 50 0 IKAARN O=C(NNc1ccc(F)c(F)c1F)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000170620763 556741128 /nfs/dbraw/zinc/74/11/28/556741128.db2.gz PYWNQLDUPXNWBH-UHFFFAOYSA-N 0 0 442.828 5.367 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000055526914 556741640 /nfs/dbraw/zinc/74/16/40/556741640.db2.gz USDAPTBVPPHYDH-UHFFFAOYSA-N 0 0 449.982 5.313 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1Cl ZINC000055545143 556741820 /nfs/dbraw/zinc/74/18/20/556741820.db2.gz BDDFVXJILJQYCK-UHFFFAOYSA-N 0 0 437.946 5.362 50 0 IKAARN Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 ZINC000055539406 556741938 /nfs/dbraw/zinc/74/19/38/556741938.db2.gz BVYOEVRMLGSHCB-UHFFFAOYSA-N 0 0 433.983 5.531 50 0 IKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)Nc1cccc(Cl)c1 ZINC000055554096 556742229 /nfs/dbraw/zinc/74/22/29/556742229.db2.gz JDXMKFRERTZFBZ-UHFFFAOYSA-N 0 0 438.934 5.445 50 0 IKAARN Cc1ccc(S(=O)(=O)NCC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000013804965 556743233 /nfs/dbraw/zinc/74/32/33/556743233.db2.gz PXVSBCZDZIZGGL-VWLOTQADSA-N 0 0 441.568 5.422 50 0 IKAARN CC(C)(C)c1cc(Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000004622549 556744015 /nfs/dbraw/zinc/74/40/15/556744015.db2.gz ARGKIPXIJNFTHD-UHFFFAOYSA-N 0 0 426.641 8.080 50 0 IKAARN COc1ccc([C@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000604418927 556746611 /nfs/dbraw/zinc/74/66/11/556746611.db2.gz RJJUTPSMBSETMR-NZQKXSOJSA-N 0 0 436.556 5.214 50 0 IKAARN COc1ccc([C@@H](NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C(C)C)cc1OC ZINC000604418807 556746623 /nfs/dbraw/zinc/74/66/23/556746623.db2.gz FIEISPJWWPEVGB-GCJKJVERSA-N 0 0 439.581 5.557 50 0 IKAARN COc1ccc([C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000604418926 556746692 /nfs/dbraw/zinc/74/66/92/556746692.db2.gz RJJUTPSMBSETMR-NFBKMPQASA-N 0 0 436.556 5.214 50 0 IKAARN COc1ccc([C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000604418929 556746902 /nfs/dbraw/zinc/74/69/02/556746902.db2.gz RJJUTPSMBSETMR-REWPJTCUSA-N 0 0 436.556 5.214 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000604419028 556746910 /nfs/dbraw/zinc/74/69/10/556746910.db2.gz LWQPVKQXGITMBL-IBGZPJMESA-N 0 0 426.398 5.373 50 0 IKAARN CC1=Nc2ncnn2[C@H](c2cccc(Cl)c2)C1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000072333078 556749623 /nfs/dbraw/zinc/74/96/23/556749623.db2.gz KJUBZHQUJNPING-AZVUBCEASA-N 0 0 428.964 5.224 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3cccn4cc(-c5ccccc5)nc34)nc2c1 ZINC000072333686 556750152 /nfs/dbraw/zinc/75/01/52/556750152.db2.gz GLCIZMHMZXTHSP-UHFFFAOYSA-N 0 0 443.532 5.007 50 0 IKAARN CCCOc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)cc1 ZINC000057986238 556750420 /nfs/dbraw/zinc/75/04/20/556750420.db2.gz NNFBWGQKBLNQNQ-UHFFFAOYSA-N 0 0 435.343 5.824 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 ZINC000072332614 556750929 /nfs/dbraw/zinc/75/09/29/556750929.db2.gz WHKFWYWQPHNMPH-IFMALSPDSA-N 0 0 431.269 6.514 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000147169399 556750989 /nfs/dbraw/zinc/75/09/89/556750989.db2.gz DGHNSOORNPGMCA-NJKLIUONSA-N 0 0 426.645 5.278 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)n2nc(-c3ccc(Cl)cc3)cc2N1 ZINC000072332684 556751070 /nfs/dbraw/zinc/75/10/70/556751070.db2.gz MXJSSPRKBGEPMU-XMMPIXPASA-N 0 0 441.922 5.526 50 0 IKAARN CCN(CC)c1ccc2c(c1)[o+]c(-c1ccc(N(C)C)cc1)cc2-c1ccccc1C(=O)[O-] ZINC000002569845 556751400 /nfs/dbraw/zinc/75/14/00/556751400.db2.gz VRRJAIRFGIUABV-UHFFFAOYSA-O 0 0 441.551 6.658 50 0 IKAARN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCc1nnc(-c2ccsc2)o1)C1CC1 ZINC000057997080 556751869 /nfs/dbraw/zinc/75/18/69/556751869.db2.gz RLLLVUZQSDZVRI-ZDUSSCGKSA-N 0 0 435.471 5.502 50 0 IKAARN CC(C)NC(=O)c1ccc(NC(=O)N(Cc2cccc(Br)c2)C(C)C)cc1 ZINC000058003934 556752416 /nfs/dbraw/zinc/75/24/16/556752416.db2.gz LQWXMOBEMUSVAC-UHFFFAOYSA-N 0 0 432.362 5.030 50 0 IKAARN COc1ccc(CCN(C)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1OC ZINC000058010621 556753102 /nfs/dbraw/zinc/75/31/02/556753102.db2.gz HHKOZMZTRNTEKU-OALUTQOASA-N 0 0 436.577 5.064 50 0 IKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(C3CC3)[C@@H]3CCc4ccccc43)c2)cs1 ZINC000058014422 556753725 /nfs/dbraw/zinc/75/37/25/556753725.db2.gz ZRZSNTSOQQOCDM-FFODHNNBSA-N 0 0 430.573 5.722 50 0 IKAARN O=C(Oc1ccccc1Cl)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000058091694 556757677 /nfs/dbraw/zinc/75/76/77/556757677.db2.gz ZBSRKGQWXASVAD-UHFFFAOYSA-N 0 0 440.890 5.414 50 0 IKAARN CN(Cc1ccccc1N1CCOCC1)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058124259 556759756 /nfs/dbraw/zinc/75/97/56/556759756.db2.gz UCBRZLQIPCEFSG-RJAVSUSUSA-N 0 0 444.619 5.020 50 0 IKAARN COc1ccc(N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@@H](C)C2CC2)cc1 ZINC000058145945 556761760 /nfs/dbraw/zinc/76/17/60/556761760.db2.gz CGUOLAQOUCIHRP-KRWDZBQOSA-N 0 0 446.595 5.826 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN([C@@H]3CCCc4ccccc43)CO2)cc1 ZINC000061997669 556763783 /nfs/dbraw/zinc/76/37/83/556763783.db2.gz TWDFNNAPLBAZMC-RUZDIDTESA-N 0 0 439.511 5.698 50 0 biogenic IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1cccc(Cl)c1)CO3 ZINC000061997710 556764024 /nfs/dbraw/zinc/76/40/24/556764024.db2.gz UUHMXVAMUXJQIH-UHFFFAOYSA-N 0 0 431.919 5.698 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccc(Cl)cc2)CO4)cc1 ZINC000061997712 556764027 /nfs/dbraw/zinc/76/40/27/556764027.db2.gz RJZPWYNOHDWJBH-UHFFFAOYSA-N 0 0 447.918 5.783 50 0 biogenic IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1C ZINC000058161652 556765589 /nfs/dbraw/zinc/76/55/89/556765589.db2.gz GNFDMDYOOFOFTA-RUZDIDTESA-N 0 0 449.554 5.900 50 0 IKAARN O=C(Nc1ccccc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001099334 556765723 /nfs/dbraw/zinc/76/57/23/556765723.db2.gz NACOVCZSCBSBCX-UHFFFAOYSA-N 0 0 442.540 5.334 50 0 IKAARN c1sc2nc(C3CC3)nc(NCc3ccnc(N4CCOCC4)c3)c2c1-c1ccccc1 ZINC000058162768 556766070 /nfs/dbraw/zinc/76/60/70/556766070.db2.gz SBMATVARZBXYFL-UHFFFAOYSA-N 0 0 443.576 5.079 50 0 IKAARN COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4-c4ccccc4)cc3C2=O)cc1 ZINC000001085691 556766935 /nfs/dbraw/zinc/76/69/35/556766935.db2.gz BSGMSYLTGWHKSP-UHFFFAOYSA-N 0 0 448.478 5.415 50 0 IKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)N1CCCCC1 ZINC000001147419 556767611 /nfs/dbraw/zinc/76/76/11/556767611.db2.gz HKLQYJCFKJCHPN-OUKQBFOZSA-N 0 0 436.353 5.328 50 0 IKAARN COc1ccc(NC(=O)c2ccc(CN3CCC[C@H]3c3nc4ccccc4s3)cc2)cc1 ZINC000058169681 556767722 /nfs/dbraw/zinc/76/77/22/556767722.db2.gz VJLXNBPWOCOYHR-QHCPKHFHSA-N 0 0 443.572 5.894 50 0 IKAARN CC(C)c1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000058170518 556767932 /nfs/dbraw/zinc/76/79/32/556767932.db2.gz MDOCNGHVYVKMOT-VWLOTQADSA-N 0 0 447.604 5.081 50 0 IKAARN Cc1csc(Nc2ccc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cs3)cc2)n1 ZINC000058173132 556768553 /nfs/dbraw/zinc/76/85/53/556768553.db2.gz LFOLYRARBUSTPG-UHFFFAOYSA-N 0 0 427.576 5.389 50 0 IKAARN COc1cc(C=C(Cl)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc2sc(=O)oc21 ZINC000058174622 556769232 /nfs/dbraw/zinc/76/92/32/556769232.db2.gz CVBREUPXBZQCCW-IZZDOVSWSA-N 0 0 446.937 5.189 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2ccccc2)c1 ZINC000206596250 556770225 /nfs/dbraw/zinc/77/02/25/556770225.db2.gz DAXROIWXDKTITM-UHFFFAOYSA-N 0 0 449.601 5.048 50 0 IKAARN Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccsc3c2=O)cc1 ZINC000206598337 556770458 /nfs/dbraw/zinc/77/04/58/556770458.db2.gz MASNBYXWSFWUFA-UHFFFAOYSA-N 0 0 449.601 5.162 50 0 IKAARN Cc1nc(COc2cccc(/C=C/C(=O)N3CCC(Oc4ccccc4)CC3)c2)cs1 ZINC000058196079 556770518 /nfs/dbraw/zinc/77/05/18/556770518.db2.gz STKLXTQJPQNPBH-ZHACJKMWSA-N 0 0 434.561 5.114 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000058196731 556770538 /nfs/dbraw/zinc/77/05/38/556770538.db2.gz NAWGJBIOVYWOSY-QHCPKHFHSA-N 0 0 443.963 5.831 50 0 IKAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC=C(c3ccccc3)CC2)cc1Cl ZINC000058219024 556773281 /nfs/dbraw/zinc/77/32/81/556773281.db2.gz ODRMWOHSTVNXOY-VWLOTQADSA-N 0 0 432.951 5.818 50 0 IKAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c2c(nc3ccccc31)/C(=C\c1cccs1)CC2 ZINC000058226329 556773731 /nfs/dbraw/zinc/77/37/31/556773731.db2.gz KXPUZYYTCVIPBP-OWBHPGMISA-N 0 0 438.512 5.205 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)C[C@@H]3CCCO3)cc12 ZINC000058227771 556774027 /nfs/dbraw/zinc/77/40/27/556774027.db2.gz YNGCGLUXSMGIQG-HNNXBMFYSA-N 0 0 438.380 5.012 50 0 IKAARN COc1ccc(CC[C@H]2CCCCN2C(=O)c2cccc(Br)c2)cc1OC ZINC000058264338 556776147 /nfs/dbraw/zinc/77/61/47/556776147.db2.gz ZKVKBTZBVUVRAH-LJQANCHMSA-N 0 0 432.358 5.094 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2ccc(Br)cc2F)c1 ZINC000058267438 556776732 /nfs/dbraw/zinc/77/67/32/556776732.db2.gz RXIJJIOYSBVCBM-UHFFFAOYSA-N 0 0 442.288 5.162 50 0 IKAARN COC(=O)[C@@H]([C@@H](O)c1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2)C(C)(C)C ZINC000005383908 556778346 /nfs/dbraw/zinc/77/83/46/556778346.db2.gz RQOQZQMSBXEDKQ-RPBOFIJWSA-N 0 0 436.636 6.722 50 0 IKAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000058304488 556778519 /nfs/dbraw/zinc/77/85/19/556778519.db2.gz WHPYYVHPMMYJDQ-GASCZTMLSA-N 0 0 448.394 5.471 50 0 IKAARN S=C(NCCc1ccccc1)NN=c1cc(-c2ccccc2)c2cc(Cl)ccc2[nH]1 ZINC000058324574 556780659 /nfs/dbraw/zinc/78/06/59/556780659.db2.gz KKFBSMTZWKVZLX-UHFFFAOYSA-N 0 0 432.980 5.589 50 0 IKAARN O=C(NC[C@@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1)Nc1cccc(F)c1 ZINC000058323888 556780672 /nfs/dbraw/zinc/78/06/72/556780672.db2.gz YVYXCPUFJNZRAH-INIZCTEOSA-N 0 0 449.979 5.022 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000058316948 556780708 /nfs/dbraw/zinc/78/07/08/556780708.db2.gz YYLZPCIKFLZVTB-UHFFFAOYSA-N 0 0 437.499 5.474 50 0 IKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000058356962 556782694 /nfs/dbraw/zinc/78/26/94/556782694.db2.gz RDIHDSXWBGRTKP-UHFFFAOYSA-N 0 0 433.515 5.741 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1csc(-c2ccccn2)n1 ZINC000058370052 556783501 /nfs/dbraw/zinc/78/35/01/556783501.db2.gz TVFCEQGSUODKAS-UHFFFAOYSA-N 0 0 432.471 5.467 50 0 IKAARN Cc1cccc(-c2noc(CNc3ccccc3Oc3ncc(Cl)cc3Cl)n2)c1 ZINC000058406568 556786222 /nfs/dbraw/zinc/78/62/22/556786222.db2.gz XWYQKFAHSQGKBD-UHFFFAOYSA-N 0 0 427.291 6.151 50 0 IKAARN Cc1c(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)oc2c1C(=O)CCC2 ZINC000058411590 556786350 /nfs/dbraw/zinc/78/63/50/556786350.db2.gz RTIPOYXKVFJYAR-UHFFFAOYSA-N 0 0 428.282 5.060 50 0 IKAARN CC(C)Cn1ccc2cc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21 ZINC000058441539 556789210 /nfs/dbraw/zinc/78/92/10/556789210.db2.gz LSEPDYCNQZQXJQ-UHFFFAOYSA-N 0 0 436.533 5.117 50 0 IKAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000058450197 556789246 /nfs/dbraw/zinc/78/92/46/556789246.db2.gz OOGYXBUYDJFBBF-UHFFFAOYSA-N 0 0 437.996 5.252 50 0 IKAARN Cc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2-c2cc(C)ccc2C)n1 ZINC000058604896 556790477 /nfs/dbraw/zinc/79/04/77/556790477.db2.gz AAUYJGVVZXAMOH-CQSZACIVSA-N 0 0 425.945 5.749 50 0 IKAARN Cc1nc2ccccc2nc1C[S@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000058632431 556790805 /nfs/dbraw/zinc/79/08/05/556790805.db2.gz BSCNMFUNLMPING-NDEPHWFRSA-N 0 0 427.982 5.088 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000034138827 556791166 /nfs/dbraw/zinc/79/11/66/556791166.db2.gz FIGHEMPIEHXWQQ-BVAGGSTKSA-N 0 0 446.572 6.058 50 0 IKAARN O=C(Nc1nc2cc(F)c(F)cc2s1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000058779146 556792015 /nfs/dbraw/zinc/79/20/15/556792015.db2.gz OLVHSQLPNNELPV-UHFFFAOYSA-N 0 0 429.062 5.835 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2)cc1 ZINC000059257689 556796369 /nfs/dbraw/zinc/79/63/69/556796369.db2.gz AJXKUMNTHCHGMX-UHFFFAOYSA-N 0 0 432.524 5.029 50 0 IKAARN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000059287002 556797035 /nfs/dbraw/zinc/79/70/35/556797035.db2.gz PVROJIZNHFBHLQ-UHFFFAOYSA-N 0 0 426.438 5.135 50 0 IKAARN O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cccc(Cl)c1 ZINC000001506298 556797553 /nfs/dbraw/zinc/79/75/53/556797553.db2.gz MNWXXUWQHJBSKX-UHFFFAOYSA-N 0 0 440.693 5.320 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(Br)cc1 ZINC000001883800 556797834 /nfs/dbraw/zinc/79/78/34/556797834.db2.gz IGOXSVCZAAISML-UHFFFAOYSA-N 0 0 449.131 6.239 50 0 IKAARN COc1cc([C@@H](C)NC(=O)c2cc3c(cccc3F)s2)ccc1OCc1ccncc1 ZINC000059316073 556797802 /nfs/dbraw/zinc/79/78/02/556797802.db2.gz RJQXXUNBDBZQNK-OAHLLOKOSA-N 0 0 436.508 5.514 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 ZINC000059348247 556798522 /nfs/dbraw/zinc/79/85/22/556798522.db2.gz AENVFYZWHNNPEJ-FQEVSTJZSA-N 0 0 429.520 5.670 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3ncnc4sc(C)c(C)c43)ccc21 ZINC000002427933 556799282 /nfs/dbraw/zinc/79/92/82/556799282.db2.gz SBKBLJLCDLAMHW-UHFFFAOYSA-N 0 0 446.601 6.167 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1Cl)NCc1ccccc1 ZINC000033050306 556799439 /nfs/dbraw/zinc/79/94/39/556799439.db2.gz YGKAELLLLPQBBQ-UHFFFAOYSA-N 0 0 439.943 5.286 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)C1(c2ccccc2F)CCCC1 ZINC000002641972 556799931 /nfs/dbraw/zinc/79/99/31/556799931.db2.gz ZFQRNKKIFUEDHY-UHFFFAOYSA-N 0 0 447.988 6.073 50 0 IKAARN C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002617243 556800192 /nfs/dbraw/zinc/80/01/92/556800192.db2.gz YKLVLJSOMIIJLE-LLVKDONJSA-N 0 0 430.521 5.421 50 0 IKAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1F ZINC000002617885 556800212 /nfs/dbraw/zinc/80/02/12/556800212.db2.gz PYFPSOBJHISBIC-UHFFFAOYSA-N 0 0 428.435 5.104 50 0 IKAARN Cc1ccc(C(=O)[C@@H](Sc2nnc(Cc3ccccc3F)n2N)c2ccc(C)cc2)cc1 ZINC000002623385 556800644 /nfs/dbraw/zinc/80/06/44/556800644.db2.gz DKHHBYSFJPCHGL-DEOSSOPVSA-N 0 0 446.551 5.055 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCCCC3)c2c1C ZINC000002625188 556800802 /nfs/dbraw/zinc/80/08/02/556800802.db2.gz JXBUIMZWMDMKAK-UHFFFAOYSA-N 0 0 427.595 5.459 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)NC1CCCCCC1 ZINC000002633498 556801342 /nfs/dbraw/zinc/80/13/42/556801342.db2.gz FJNQQEXELMEOFS-UHFFFAOYSA-N 0 0 442.968 5.613 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1)CCCC3 ZINC000002646610 556801867 /nfs/dbraw/zinc/80/18/67/556801867.db2.gz KUEMQRIZRUKAJQ-LBPRGKRZSA-N 0 0 448.013 5.129 50 0 IKAARN O=C1Nc2ccccc2/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000002643928 556801869 /nfs/dbraw/zinc/80/18/69/556801869.db2.gz XQWCTCBFIRSRLW-ZXVVBBHZSA-N 0 0 439.518 6.699 50 0 IKAARN CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000002655575 556802766 /nfs/dbraw/zinc/80/27/66/556802766.db2.gz MLYOBWPUGSNSOV-UHFFFAOYSA-N 0 0 425.868 5.327 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 ZINC000002660317 556802887 /nfs/dbraw/zinc/80/28/87/556802887.db2.gz IDUFRRISXBWNQV-UHFFFAOYSA-N 0 0 430.577 6.080 50 0 IKAARN O=C(c1ccccc1OCc1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000059602358 556803089 /nfs/dbraw/zinc/80/30/89/556803089.db2.gz SVNBBXBUYARBGX-WPVVHWIUSA-N 0 0 445.990 6.860 50 0 IKAARN O=C(Nc1ccccc1)NC1(C(Cl)(Cl)Cl)Oc2cc(Cl)c(Cl)cc2O1 ZINC000003065593 556803374 /nfs/dbraw/zinc/80/33/74/556803374.db2.gz SOIBPYMVOAOPHQ-UHFFFAOYSA-N 0 0 442.513 5.610 50 0 IKAARN Cc1ccc(C(=O)N[C@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000003010979 556803691 /nfs/dbraw/zinc/80/36/91/556803691.db2.gz MXWRELPZNMXJRM-HNNXBMFYSA-N 0 0 426.558 5.840 50 0 IKAARN O=P1(Nc2ccc(Br)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003164024 556803762 /nfs/dbraw/zinc/80/37/62/556803762.db2.gz WFUKQXZTWNORND-UHFFFAOYSA-N 0 0 438.261 7.167 50 0 IKAARN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCc1ccccc1 ZINC000003164560 556803776 /nfs/dbraw/zinc/80/37/76/556803776.db2.gz BIHAPUMWPVXHHS-XPKROWLPSA-N 0 0 442.326 7.572 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2c1 ZINC000003177901 556803989 /nfs/dbraw/zinc/80/39/89/556803989.db2.gz MXVVENAVYVWACN-UHFFFAOYSA-N 0 0 431.542 6.224 50 0 IKAARN CC(C)N(C(C)C)[P@](=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 ZINC000003203957 556804268 /nfs/dbraw/zinc/80/42/68/556804268.db2.gz YJYRVZWCHXRNGE-HSZRJFAPSA-N 0 0 439.578 7.085 50 0 IKAARN Cc1c([C@H](Nc2ccc3ccccc3c2)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003145846 556804660 /nfs/dbraw/zinc/80/46/60/556804660.db2.gz USLIFCGVEYTGKB-HHHXNRCGSA-N 0 0 437.518 5.978 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000003247040 556804673 /nfs/dbraw/zinc/80/46/73/556804673.db2.gz PXXBVQOQTYNKNC-INIZCTEOSA-N 0 0 430.529 5.710 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NC1CCCCC1 ZINC000003246383 556804691 /nfs/dbraw/zinc/80/46/91/556804691.db2.gz AIBMBTGAULIUHM-UHFFFAOYSA-N 0 0 436.939 5.469 50 0 IKAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003251078 556804873 /nfs/dbraw/zinc/80/48/73/556804873.db2.gz FWPIQMGPACQKJS-UHFFFAOYSA-N 0 0 438.597 5.078 50 0 IKAARN Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl ZINC000003248067 556804912 /nfs/dbraw/zinc/80/49/12/556804912.db2.gz GESCVUIWLWSEPL-OAQYLSRUSA-N 0 0 427.331 5.802 50 0 IKAARN CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000003247955 556804941 /nfs/dbraw/zinc/80/49/41/556804941.db2.gz BXFJROGIOXFYHJ-UHFFFAOYSA-N 0 0 428.838 5.001 50 0 IKAARN CC(=O)Nc1cccc(Nc2nnc(S[C@H](C)c3nc(-c4ccccc4)no3)s2)c1 ZINC000059851454 556805012 /nfs/dbraw/zinc/80/50/12/556805012.db2.gz WLKPZQVLLCSVCI-GFCCVEGCSA-N 0 0 438.538 5.143 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2c(Cl)cccc2Cl)cc1 ZINC000003252851 556805183 /nfs/dbraw/zinc/80/51/83/556805183.db2.gz XADCAXFCWXPMDS-UHFFFAOYSA-N 0 0 437.326 6.512 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccccc3C(C)C)cc12 ZINC000003218207 556805449 /nfs/dbraw/zinc/80/54/49/556805449.db2.gz LWBDSDZOKUHKBK-UHFFFAOYSA-N 0 0 433.533 5.314 50 0 IKAARN C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)cc1F ZINC000059926459 556805476 /nfs/dbraw/zinc/80/54/76/556805476.db2.gz BSEHNRLPPSXHOT-QGZVFWFLSA-N 0 0 428.552 5.444 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc1 ZINC000003229722 556806100 /nfs/dbraw/zinc/80/61/00/556806100.db2.gz FVFQEXKZPLTNAQ-RCCKNPSSSA-N 0 0 437.536 5.907 50 0 IKAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)n1 ZINC000060098353 556806324 /nfs/dbraw/zinc/80/63/24/556806324.db2.gz QGYBUBYTBKGOSZ-KRWDZBQOSA-N 0 0 438.959 5.269 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 ZINC000003231098 556806333 /nfs/dbraw/zinc/80/63/33/556806333.db2.gz MQBLOAUYXXYOFL-NTEUORMPSA-N 0 0 440.421 5.618 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)c3ccc(F)cc3)cc12 ZINC000003234697 556806354 /nfs/dbraw/zinc/80/63/54/556806354.db2.gz IMFGSCRYZXFERO-UHFFFAOYSA-N 0 0 428.872 5.228 50 0 IKAARN CCOc1ccccc1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003231602 556806372 /nfs/dbraw/zinc/80/63/72/556806372.db2.gz HFLWGLUNPKNNGH-UHFFFAOYSA-N 0 0 448.544 5.260 50 0 IKAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)n1 ZINC000060098355 556806363 /nfs/dbraw/zinc/80/63/63/556806363.db2.gz QGYBUBYTBKGOSZ-QGZVFWFLSA-N 0 0 438.959 5.269 50 0 IKAARN O=C(Nc1ccccc1OC(F)F)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000003235489 556806386 /nfs/dbraw/zinc/80/63/86/556806386.db2.gz KFBCKCZHFSNZFA-UHFFFAOYSA-N 0 0 440.449 6.909 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000003231265 556806388 /nfs/dbraw/zinc/80/63/88/556806388.db2.gz ZHECHYYLXPQHCW-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(SC(F)(F)F)cc2)c1C ZINC000060098410 556806587 /nfs/dbraw/zinc/80/65/87/556806587.db2.gz SJJCVOYQOPWZCH-UHFFFAOYSA-N 0 0 432.489 5.011 50 0 IKAARN Cc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2)n(Cc2ccccc2Cl)n1 ZINC000003290254 556806948 /nfs/dbraw/zinc/80/69/48/556806948.db2.gz OHCASRQPRPDKHB-UHFFFAOYSA-N 0 0 432.907 5.691 50 0 IKAARN CCOc1cccc([C@@H](C)NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 ZINC000060184166 556807144 /nfs/dbraw/zinc/80/71/44/556807144.db2.gz QMAWEPXKZGNILO-OAHLLOKOSA-N 0 0 446.473 5.299 50 0 IKAARN COc1cc2c(cc1NC(=S)Nc1ccc(SC(F)F)cc1)oc1ccccc12 ZINC000003258889 556807130 /nfs/dbraw/zinc/80/71/30/556807130.db2.gz BGEBPKFHBVGZPF-UHFFFAOYSA-N 0 0 430.501 6.718 50 0 IKAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12 ZINC000003259680 556807337 /nfs/dbraw/zinc/80/73/37/556807337.db2.gz XPZPRVFHMQGFOF-UHFFFAOYSA-N 0 0 445.315 5.157 50 0 IKAARN O=C(/C=C/c1ccco1)O[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000003259881 556807412 /nfs/dbraw/zinc/80/74/12/556807412.db2.gz BNPDACQLTRCVBJ-WAEYIKQSSA-N 0 0 449.812 5.888 50 0 IKAARN CCN1C(=S)N[C@H](c2c(F)cccc2Cl)C(C(=O)Nc2ccc(C)cc2C)=C1C ZINC000003263798 556807423 /nfs/dbraw/zinc/80/74/23/556807423.db2.gz DDZDASTWJWZKEW-FQEVSTJZSA-N 0 0 431.964 5.260 50 0 IKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)Nc1ccc(N(C)C)cc1 ZINC000003268757 556807552 /nfs/dbraw/zinc/80/75/52/556807552.db2.gz AKQALKOJTRMEKZ-UHFFFAOYSA-N 0 0 439.515 5.072 50 0 IKAARN Cc1ccc(C)c(NC(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)CC3)c1 ZINC000003266826 556807663 /nfs/dbraw/zinc/80/76/63/556807663.db2.gz XJTSCQTUMMWQRG-LJQANCHMSA-N 0 0 444.575 5.798 50 0 IKAARN CC(C)c1ccc(Nc2nnc(SCC(=O)NCCCc3ccccc3)s2)cc1 ZINC000003272093 556807785 /nfs/dbraw/zinc/80/77/85/556807785.db2.gz HMMJUECCFYWGTH-UHFFFAOYSA-N 0 0 426.611 5.246 50 0 IKAARN O=C(Cc1ccc(Cl)c(Cl)c1)OCc1nnc(-c2ccc(Br)cc2)o1 ZINC000003272551 556807937 /nfs/dbraw/zinc/80/79/37/556807937.db2.gz XATVIELNZZKSPT-UHFFFAOYSA-N 0 0 442.096 5.092 50 0 IKAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000003280820 556808031 /nfs/dbraw/zinc/80/80/31/556808031.db2.gz AVMPRXQGOSWDAJ-UHFFFAOYSA-N 0 0 445.422 5.395 50 0 IKAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCc4ccccc4Cl)cc3)ccc12 ZINC000003281966 556808111 /nfs/dbraw/zinc/80/81/11/556808111.db2.gz KXLUEJOSGOTGPZ-UHFFFAOYSA-N 0 0 434.875 5.691 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)cc1C ZINC000003283949 556808508 /nfs/dbraw/zinc/80/85/08/556808508.db2.gz NJUPSIADSDNUFN-UHFFFAOYSA-N 0 0 436.509 5.231 50 0 IKAARN COc1cccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC ZINC000003286270 556808620 /nfs/dbraw/zinc/80/86/20/556808620.db2.gz JBPVNNBLYVIGOB-WQJNHMDYSA-N 0 0 447.487 5.080 50 0 IKAARN CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000003287857 556808658 /nfs/dbraw/zinc/80/86/58/556808658.db2.gz XYSIJABQKVSAFP-KRWDZBQOSA-N 0 0 428.646 5.611 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Oc2ccc3ccccc3c2)cc1 ZINC000003286670 556808726 /nfs/dbraw/zinc/80/87/26/556808726.db2.gz ZTKUUVRMQDUQRE-NBVRZTHBSA-N 0 0 446.506 6.320 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000005458140 556808919 /nfs/dbraw/zinc/80/89/19/556808919.db2.gz CICIKCBBPXYFIK-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)N(C1CCCCC1)C1CCCCC1 ZINC000003288422 556808924 /nfs/dbraw/zinc/80/89/24/556808924.db2.gz MYODNAOZJYUPNO-UHFFFAOYSA-N 0 0 428.627 5.530 50 0 IKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003289694 556809008 /nfs/dbraw/zinc/80/90/08/556809008.db2.gz ZZVUMPSNSOBAME-CCEZHUSRSA-N 0 0 439.433 5.168 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)c2cc1C(C)C ZINC000003306303 556809113 /nfs/dbraw/zinc/80/91/13/556809113.db2.gz KLFNTJHPOZFLMN-UHFFFAOYSA-N 0 0 442.563 6.031 50 0 IKAARN Cc1ccc(C(=O)[C@@H](Sc2ncc(C(F)(F)F)cc2Cl)c2ccc(C)cc2)cc1 ZINC000003308062 556809147 /nfs/dbraw/zinc/80/91/47/556809147.db2.gz TVSUBGKAJXMXII-FQEVSTJZSA-N 0 0 435.898 7.087 50 0 IKAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1ccc(F)c(F)c1 ZINC000003307690 556809196 /nfs/dbraw/zinc/80/91/96/556809196.db2.gz JNKUUTXOUNRSPV-UHFFFAOYSA-N 0 0 440.471 5.140 50 0 IKAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000003308148 556809443 /nfs/dbraw/zinc/80/94/43/556809443.db2.gz XAMOAPJNSOAULI-CQSZACIVSA-N 0 0 427.595 5.039 50 0 IKAARN O=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003309945 556809457 /nfs/dbraw/zinc/80/94/57/556809457.db2.gz AZFDBBWPSZZJSS-UHFFFAOYSA-N 0 0 442.729 7.219 50 0 IKAARN c1ccc2sc(Sc3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)nc2c1 ZINC000003310288 556809511 /nfs/dbraw/zinc/80/95/11/556809511.db2.gz RMQWIACQGFNMEN-UHFFFAOYSA-N 0 0 432.599 6.393 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000003314784 556809749 /nfs/dbraw/zinc/80/97/49/556809749.db2.gz RNUOWXOTPTZPPP-IBGZPJMESA-N 0 0 435.348 5.520 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c1 ZINC000003314192 556809777 /nfs/dbraw/zinc/80/97/77/556809777.db2.gz JQFUFXHJLFLBHK-NDEPHWFRSA-N 0 0 449.550 6.359 50 0 IKAARN O=C(OCc1c(Cl)cccc1Cl)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003319252 556809941 /nfs/dbraw/zinc/80/99/41/556809941.db2.gz NGELFMGEBBAIEP-UHFFFAOYSA-N 0 0 441.289 6.342 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCc3c(Cl)cccc3Cl)c3ccccc3n2)cc1 ZINC000003316943 556809975 /nfs/dbraw/zinc/80/99/75/556809975.db2.gz ARMSRSIUQQCNSL-UHFFFAOYSA-N 0 0 438.310 6.574 50 0 IKAARN CCCCOc1ccc(/C=C2/N=C(c3ccc(OCC)c(OCC)c3)OC2=O)cc1OC ZINC000003322382 556810256 /nfs/dbraw/zinc/81/02/56/556810256.db2.gz QZVKHMWIORNANL-XMHGGMMESA-N 0 0 439.508 5.016 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(Nc2ccccc2C)s1 ZINC000003323654 556810490 /nfs/dbraw/zinc/81/04/90/556810490.db2.gz BLENPIDKFKAPRH-UHFFFAOYSA-N 0 0 434.974 5.291 50 0 IKAARN Cc1ccc(-n2c(SC[C@H](O)COc3ccccc3)nnc2-c2ccccc2)cc1C ZINC000003323944 556810509 /nfs/dbraw/zinc/81/05/09/556810509.db2.gz NBOFMQHIGSVOMN-JOCHJYFZSA-N 0 0 431.561 5.083 50 0 IKAARN O=C(Nc1ccc(I)cc1)c1sc2cc(F)ccc2c1Cl ZINC000003327909 556810585 /nfs/dbraw/zinc/81/05/85/556810585.db2.gz QIJTVPHTVRMEAJ-UHFFFAOYSA-N 0 0 431.657 5.551 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000003293765 556810651 /nfs/dbraw/zinc/81/06/51/556810651.db2.gz XFOAPRFYVLGLMK-UHFFFAOYSA-N 0 0 440.572 5.314 50 0 IKAARN CC(C)(C)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 ZINC000003293708 556810789 /nfs/dbraw/zinc/81/07/89/556810789.db2.gz TXELXYZFINELNJ-UHFFFAOYSA-N 0 0 436.419 5.920 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1C1CCCCC1 ZINC000003301224 556811152 /nfs/dbraw/zinc/81/11/52/556811152.db2.gz AARZTTBQBILSOF-UHFFFAOYSA-N 0 0 436.383 7.189 50 0 IKAARN O=c1c2ccccc2nc(SCCOc2ccccc2Cl)n1-c1ccccc1F ZINC000003299309 556811180 /nfs/dbraw/zinc/81/11/80/556811180.db2.gz LYWAKQYIYFUYCM-UHFFFAOYSA-N 0 0 426.900 5.349 50 0 IKAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003301346 556811186 /nfs/dbraw/zinc/81/11/86/556811186.db2.gz BSUYVUOXKQFCQR-UHFFFAOYSA-N 0 0 440.948 6.201 50 0 IKAARN O=C(Oc1cccc(Cl)c1Cl)c1oc2ccccc2c1CSC1CCCCC1 ZINC000003302546 556811435 /nfs/dbraw/zinc/81/14/35/556811435.db2.gz CEGZXBKAZMTTPJ-UHFFFAOYSA-N 0 0 435.372 7.525 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000003358334 556811512 /nfs/dbraw/zinc/81/15/12/556811512.db2.gz BMPUKKJQDVOWNM-SFHVURJKSA-N 0 0 446.503 5.002 50 0 IKAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NC1CCCCCCC1 ZINC000003302501 556811586 /nfs/dbraw/zinc/81/15/86/556811586.db2.gz KMCWKSQNSJDJLK-UHFFFAOYSA-N 0 0 438.593 5.452 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1C ZINC000003360629 556811747 /nfs/dbraw/zinc/81/17/47/556811747.db2.gz YTYCDLXIWNLUEN-UHFFFAOYSA-N 0 0 428.557 5.594 50 0 IKAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccccc1Sc1ccccc1 ZINC000003360595 556811779 /nfs/dbraw/zinc/81/17/79/556811779.db2.gz GLMMAYHURFZLKB-UHFFFAOYSA-N 0 0 443.524 5.450 50 0 IKAARN CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O ZINC000003329198 556812269 /nfs/dbraw/zinc/81/22/69/556812269.db2.gz MLUHZHQLMMXTHP-UHFFFAOYSA-N 0 0 436.364 5.234 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000003372635 556812341 /nfs/dbraw/zinc/81/23/41/556812341.db2.gz WRTXGFQOUSPBBY-JLHYYAGUSA-N 0 0 440.421 5.618 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000003330995 556812397 /nfs/dbraw/zinc/81/23/97/556812397.db2.gz LDYPAPFDVUXQSJ-UHFFFAOYSA-N 0 0 447.494 5.217 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000003333235 556812482 /nfs/dbraw/zinc/81/24/82/556812482.db2.gz PAUDFFJLWSOLOD-UHFFFAOYSA-N 0 0 434.539 7.109 50 0 IKAARN Cc1cccc(OCCCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000003329709 556812487 /nfs/dbraw/zinc/81/24/87/556812487.db2.gz KIVBGYPOANCADY-UHFFFAOYSA-N 0 0 433.986 5.590 50 0 IKAARN CC(C)CCOc1ccc(/C=C2/N=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000003336779 556812880 /nfs/dbraw/zinc/81/28/80/556812880.db2.gz ZLRCTQOTFACRQD-XIEYBQDHSA-N 0 0 427.500 6.248 50 0 IKAARN O=C(/C=C/c1cccc(F)c1)OCc1ccc(COC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000003338714 556813000 /nfs/dbraw/zinc/81/30/00/556813000.db2.gz JOARNROGGHGWOI-PHEQNACWSA-N 0 0 434.438 5.478 50 0 IKAARN FC(F)(F)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)c(Cl)c1 ZINC000003341873 556813088 /nfs/dbraw/zinc/81/30/88/556813088.db2.gz BDJRNUGCJBMXNY-UHFFFAOYSA-N 0 0 438.887 6.214 50 0 IKAARN O=C(Cc1ccc(Cl)cc1Cl)O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003343756 556813354 /nfs/dbraw/zinc/81/33/54/556813354.db2.gz DOQSWLOMFHBCBW-DEOSSOPVSA-N 0 0 438.310 6.185 50 0 IKAARN O=C(COC(=O)CSc1cccc2cccc(Cl)c21)Nc1ccc(F)c(Cl)c1 ZINC000003351026 556813584 /nfs/dbraw/zinc/81/35/84/556813584.db2.gz KITNNTXJDYEWPG-UHFFFAOYSA-N 0 0 438.307 5.560 50 0 IKAARN O=C(OCc1cccc2ccccc21)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003405712 556814309 /nfs/dbraw/zinc/81/43/09/556814309.db2.gz ALRNUHNPCIWLGW-UHFFFAOYSA-N 0 0 429.928 7.127 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000003396369 556814394 /nfs/dbraw/zinc/81/43/94/556814394.db2.gz BDBGSWOMFJSMCI-WOJGMQOQSA-N 0 0 439.534 6.628 50 0 IKAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000003417614 556814908 /nfs/dbraw/zinc/81/49/08/556814908.db2.gz OPWXIOVVVHAFLO-IBGZPJMESA-N 0 0 447.556 5.148 50 0 IKAARN COc1ccc(C)cc1-n1c(SC/C=C/c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000003439708 556815464 /nfs/dbraw/zinc/81/54/64/556815464.db2.gz RWTFJDKYTPAYBF-DHZHZOJOSA-N 0 0 448.613 6.187 50 0 IKAARN Cc1ccc(-c2cc3nc(SC[C@@H]4CCCO4)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC000003440532 556815567 /nfs/dbraw/zinc/81/55/67/556815567.db2.gz LSSTVLYVPLNVPE-FQEVSTJZSA-N 0 0 448.613 5.753 50 0 IKAARN CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005477936 556815705 /nfs/dbraw/zinc/81/57/05/556815705.db2.gz PQHKPUZTVFIOGO-VWLOTQADSA-N 0 0 425.532 5.030 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2)s1)N(C1CCCCC1)C1CCCCC1 ZINC000003442739 556815784 /nfs/dbraw/zinc/81/57/84/556815784.db2.gz WDTHSTPWUMEVFH-UHFFFAOYSA-N 0 0 430.643 5.868 50 0 IKAARN COc1cc(C)c(COC(=O)CCN2c3ccccc3Sc3ccccc32)cc1OC ZINC000003449247 556816056 /nfs/dbraw/zinc/81/60/56/556816056.db2.gz MWIXIWXWBURNCR-UHFFFAOYSA-N 0 0 435.545 5.748 50 0 IKAARN C[C@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003504734 556816805 /nfs/dbraw/zinc/81/68/05/556816805.db2.gz ZNJBEKGAJSBQSB-HNNXBMFYSA-N 0 0 441.405 5.120 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC2)N1C[C@H](c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1 ZINC000034263914 556817188 /nfs/dbraw/zinc/81/71/88/556817188.db2.gz SETDDEALFNUFMP-HSZRJFAPSA-N 0 0 447.485 5.812 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000005482955 556817362 /nfs/dbraw/zinc/81/73/62/556817362.db2.gz IKVRLICKADIBNH-NDEPHWFRSA-N 0 0 426.560 6.006 50 0 IKAARN COc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c(OC)c1 ZINC000033062286 556818068 /nfs/dbraw/zinc/81/80/68/556818068.db2.gz JDQGRFOHIUGZQN-FQEVSTJZSA-N 0 0 433.483 5.278 50 0 IKAARN COc1cc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000033062449 556818081 /nfs/dbraw/zinc/81/80/81/556818081.db2.gz OPOBCPNPZOHZHL-FQEVSTJZSA-N 0 0 445.519 5.147 50 0 IKAARN CCn1c(COc2ccc(C)c(C)c2)nnc1SCc1cc(=O)c2ccc(C)c(C)c2[nH]1 ZINC000033064366 556818979 /nfs/dbraw/zinc/81/89/79/556818979.db2.gz MMXIFEMXMGQKDB-UHFFFAOYSA-N 0 0 448.592 5.244 50 0 IKAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nc12 ZINC000033067857 556820020 /nfs/dbraw/zinc/82/00/20/556820020.db2.gz TTXGAEHJJHVREA-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4cc(C)cc(C)c4)ccc3C)nc2c1 ZINC000033068087 556820497 /nfs/dbraw/zinc/82/04/97/556820497.db2.gz KJGZHQGUMCLBAQ-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN COc1ccc2c(c1)C(N1CCCN(C(=O)C3CCCCC3)CC1)=Nc1ccc(C)cc1O2 ZINC000096503455 556821875 /nfs/dbraw/zinc/82/18/75/556821875.db2.gz RHOMILQKUIXDDW-UHFFFAOYSA-N 0 0 447.579 5.302 50 0 IKAARN COc1ccc2c(c1)C(N1CCCN(C(=O)c3cccs3)CC1)=Nc1ccc(C)cc1O2 ZINC000096503360 556821890 /nfs/dbraw/zinc/82/18/90/556821890.db2.gz ZGDGQYAIHAOORM-UHFFFAOYSA-N 0 0 447.560 5.097 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)Nc3ccccc3)CC1)=Nc1ccccc1O2 ZINC000096503500 556821943 /nfs/dbraw/zinc/82/19/43/556821943.db2.gz QCCFKOHPCDWIRS-UHFFFAOYSA-N 0 0 426.520 5.419 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)NCc3ccccc3)CC1)=Nc1ccccc1O2 ZINC000096503585 556822095 /nfs/dbraw/zinc/82/20/95/556822095.db2.gz ZSGQRLUSVRMVQL-UHFFFAOYSA-N 0 0 440.547 5.097 50 0 IKAARN Cc1cc(C)c(C)c(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c1C ZINC000005548301 556823001 /nfs/dbraw/zinc/82/30/01/556823001.db2.gz FPBXGYJNGWNDOQ-UHFFFAOYSA-N 0 0 426.556 6.813 50 0 IKAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N(C)c1cccc(C)c1 ZINC000064450525 556824218 /nfs/dbraw/zinc/82/42/18/556824218.db2.gz FOPDERLXJPUUPJ-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN C[C@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)N[C@H](C)Cc1ccccc1 ZINC000004697261 556824306 /nfs/dbraw/zinc/82/43/06/556824306.db2.gz AVBUWOHKTKLQNV-DNQXCXABSA-N 0 0 436.640 5.602 50 0 IKAARN C[C@@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)N[C@@H](C)Cc1ccccc1 ZINC000004697255 556824328 /nfs/dbraw/zinc/82/43/28/556824328.db2.gz AVBUWOHKTKLQNV-ZEQRLZLVSA-N 0 0 436.640 5.602 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1Nc1ccccc1Br)N1CCCC1 ZINC000064472009 556824379 /nfs/dbraw/zinc/82/43/79/556824379.db2.gz TVEXLJYDLUMEHX-UHFFFAOYSA-N 0 0 430.733 5.630 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064662062 556825971 /nfs/dbraw/zinc/82/59/71/556825971.db2.gz QRIJRASQXQIVNC-HSZRJFAPSA-N 0 0 441.984 5.143 50 0 IKAARN O=C(NCCC12CC3CC(C1)CC(CCNC(=O)c1ccccc1)(C3)C2)c1ccccc1 ZINC000005575859 556826580 /nfs/dbraw/zinc/82/65/80/556826580.db2.gz MIHAGNXAUQHBML-UHFFFAOYSA-N 0 0 430.592 5.213 50 0 IKAARN CN(C)c1ccc(C=NNc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCCC4)cc1 ZINC000034389105 556826651 /nfs/dbraw/zinc/82/66/51/556826651.db2.gz IGNIFCVXTVNJLV-UHFFFAOYSA-N 0 0 449.624 5.354 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)Cc1c(C)nn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000064790128 556826650 /nfs/dbraw/zinc/82/66/50/556826650.db2.gz WQBOHRSSEDTGSO-LJQANCHMSA-N 0 0 443.016 5.600 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)N1CCCCCC1 ZINC000064790130 556826738 /nfs/dbraw/zinc/82/67/38/556826738.db2.gz CBPHAORCVBOIGM-UHFFFAOYSA-N 0 0 428.989 5.211 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)Nc1cccc(C)c1 ZINC000064790140 556826772 /nfs/dbraw/zinc/82/67/72/556826772.db2.gz HLMQJWKRINXIIC-UHFFFAOYSA-N 0 0 436.968 5.756 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)N1CCCC[C@H]1C ZINC000064790119 556826777 /nfs/dbraw/zinc/82/67/77/556826777.db2.gz WUHXWBNRNBMBFW-CQSZACIVSA-N 0 0 428.989 5.210 50 0 IKAARN CCc1ccccc1NC(=O)Cc1c(C)nn(-c2nc(-c3ccc(C)cc3)cs2)c1C ZINC000064790207 556827074 /nfs/dbraw/zinc/82/70/74/556827074.db2.gz BDLXZKFRSKEZJC-UHFFFAOYSA-N 0 0 430.577 5.665 50 0 IKAARN COc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1 ZINC000064816929 556827537 /nfs/dbraw/zinc/82/75/37/556827537.db2.gz UXGKTAULXFYENS-UHFFFAOYSA-N 0 0 448.548 5.104 50 0 IKAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000024348864 556827586 /nfs/dbraw/zinc/82/75/86/556827586.db2.gz GRQKAPXMBWZCNK-UHFFFAOYSA-N 0 0 430.895 5.058 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NC2CCC(C)CC2)c1 ZINC000064816980 556827793 /nfs/dbraw/zinc/82/77/93/556827793.db2.gz XMXPHVRZLMAKDY-UHFFFAOYSA-N 0 0 438.597 5.151 50 0 IKAARN CCc1ccccc1NC(=O)c1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 ZINC000064816946 556827802 /nfs/dbraw/zinc/82/78/02/556827802.db2.gz ULWRDQWTFXPYOJ-UHFFFAOYSA-N 0 0 446.576 5.657 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000033068703 556829117 /nfs/dbraw/zinc/82/91/17/556829117.db2.gz DMWKFJKOLGHLRE-UHFFFAOYSA-N 0 0 441.600 6.383 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000033068732 556829136 /nfs/dbraw/zinc/82/91/36/556829136.db2.gz OLECJJPXCLYUHR-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000033068713 556829150 /nfs/dbraw/zinc/82/91/50/556829150.db2.gz YAJWCVVSYQEZQU-UHFFFAOYSA-N 0 0 427.573 5.877 50 0 IKAARN CSc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949641 556829443 /nfs/dbraw/zinc/82/94/43/556829443.db2.gz VWEOMWZUUFUYOH-UHFFFAOYSA-N 0 0 426.501 5.133 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nn1-c1ccccc1 ZINC000064949577 556829496 /nfs/dbraw/zinc/82/94/96/556829496.db2.gz SCQBDZGMKJXDIY-UHFFFAOYSA-N 0 0 434.377 5.122 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)CC1 ZINC000064958685 556829709 /nfs/dbraw/zinc/82/97/09/556829709.db2.gz SVARSNFARCZUBX-UHFFFAOYSA-N 0 0 438.362 5.338 50 0 IKAARN COc1ccc2c(c1)nc(-c1cccnc1)n2-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005606820 556829751 /nfs/dbraw/zinc/82/97/51/556829751.db2.gz WRXAJNAXANBFQK-UHFFFAOYSA-N 0 0 429.564 6.397 50 0 IKAARN CSc1cccc(-n2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)c1 ZINC000064950119 556829735 /nfs/dbraw/zinc/82/97/35/556829735.db2.gz PAVTXFRPNOCUPQ-UHFFFAOYSA-N 0 0 426.501 5.133 50 0 IKAARN Cc1ccccc1-n1nc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c2ccccc2c1=O ZINC000064950216 556829752 /nfs/dbraw/zinc/82/97/52/556829752.db2.gz ZZCGJHGCOOMFED-UHFFFAOYSA-N 0 0 448.404 5.430 50 0 IKAARN O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004846 556831875 /nfs/dbraw/zinc/83/18/75/556831875.db2.gz DCLRCMXMCSZMRD-UHFFFAOYSA-N 0 0 426.922 5.654 50 0 IKAARN O=C1c2ccccc2-c2nc(NCc3ccc4c(c3)OCO4)nc(/C=C/c3cccs3)c21 ZINC000019629649 556832162 /nfs/dbraw/zinc/83/21/62/556832162.db2.gz BYJKGWUBGADZHW-CMDGGOBGSA-N 0 0 439.496 5.261 50 0 IKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(C)c(NC(C)=O)c4)n3)cc2)cc1 ZINC000065005265 556832172 /nfs/dbraw/zinc/83/21/72/556832172.db2.gz XSYFZRWMDQZYMX-UHFFFAOYSA-N 0 0 442.475 5.421 50 0 IKAARN CCOC(=O)c1c2ccc(C(C)(C)C)cc2sc1NC(=O)Cc1ccc(OCC)cc1 ZINC000019630289 556832279 /nfs/dbraw/zinc/83/22/79/556832279.db2.gz JBCQVESBZCVLCI-UHFFFAOYSA-N 0 0 439.577 5.955 50 0 IKAARN COc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)c1 ZINC000033068797 556832455 /nfs/dbraw/zinc/83/24/55/556832455.db2.gz RHJVQUKMPIANNA-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000033068813 556832620 /nfs/dbraw/zinc/83/26/20/556832620.db2.gz ZOYOSINTQWCSCQ-UHFFFAOYSA-N 0 0 437.927 5.744 50 0 IKAARN COc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1 ZINC000033068821 556832743 /nfs/dbraw/zinc/83/27/43/556832743.db2.gz MBHCJPPYEHCUJV-UHFFFAOYSA-N 0 0 433.508 5.099 50 0 IKAARN CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000019631889 556832683 /nfs/dbraw/zinc/83/26/83/556832683.db2.gz KICRWEUSSKTBOO-UHFFFAOYSA-N 0 0 440.525 5.249 50 0 IKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1c2ccc(F)cc2CC[C@@H]1C ZINC000019632047 556832857 /nfs/dbraw/zinc/83/28/57/556832857.db2.gz XKZONDGTEKELON-AWEZNQCLSA-N 0 0 440.565 5.879 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)c1C ZINC000033068855 556832949 /nfs/dbraw/zinc/83/29/49/556832949.db2.gz DFWXUHSNPGKDEN-UHFFFAOYSA-N 0 0 431.536 5.707 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(Cl)c3)c(NCc3cccc(C)c3)n2c1C ZINC000065315825 556833209 /nfs/dbraw/zinc/83/32/09/556833209.db2.gz OAQLASLFZFMAKG-UHFFFAOYSA-N 0 0 439.968 6.122 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(Cl)c3)c(NCc3cccc(F)c3)n2c1C ZINC000065315878 556833343 /nfs/dbraw/zinc/83/33/43/556833343.db2.gz NLOOBNJQZWKNLB-UHFFFAOYSA-N 0 0 443.931 5.953 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(N(C)C)cc3)c(NC3CCCCCC3)n2c1C ZINC000065315904 556833351 /nfs/dbraw/zinc/83/33/51/556833351.db2.gz XSQKGHPIHBRGGP-UHFFFAOYSA-N 0 0 440.613 5.749 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(OC)c3)c(NC3CCCCCC3)n2c1C ZINC000065318732 556833355 /nfs/dbraw/zinc/83/33/55/556833355.db2.gz SVODVVZQLWMNHA-UHFFFAOYSA-N 0 0 427.570 5.691 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccccc3OC)c(NCc3ccc(F)cc3)n2c1C ZINC000065315856 556833395 /nfs/dbraw/zinc/83/33/95/556833395.db2.gz VHXKOUWJWCAWLD-UHFFFAOYSA-N 0 0 439.512 5.308 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(Cl)c3)c(NCc3ccccc3)n2c1C ZINC000065315895 556833403 /nfs/dbraw/zinc/83/34/03/556833403.db2.gz WHIXIUJVUGIHOQ-UHFFFAOYSA-N 0 0 425.941 5.813 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(C)c(C)c3)c(NCc3ccc(C)cc3)n2c1C ZINC000065315866 556833457 /nfs/dbraw/zinc/83/34/57/556833457.db2.gz OQWYJGYFXRTIIW-UHFFFAOYSA-N 0 0 433.577 6.085 50 0 IKAARN O=C1[C@H](C(OCc2ccccc2)=C(F)F)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000096558274 556833792 /nfs/dbraw/zinc/83/37/92/556833792.db2.gz IDIIHBWOYSCLKB-SFTDATJTSA-N 0 0 425.862 6.369 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000096558708 556833844 /nfs/dbraw/zinc/83/38/44/556833844.db2.gz APXUYVIALTYBMS-QRQLOZEOSA-N 0 0 434.319 5.140 50 0 IKAARN Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)COc1cccc(C)c1 ZINC000019634219 556833993 /nfs/dbraw/zinc/83/39/93/556833993.db2.gz RXVSWRFRNRWUAS-UHFFFAOYSA-N 0 0 441.531 5.666 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)nc12 ZINC000019635102 556834653 /nfs/dbraw/zinc/83/46/53/556834653.db2.gz FIBWMKBGXYAGDC-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN Cc1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000019635176 556834662 /nfs/dbraw/zinc/83/46/62/556834662.db2.gz URLHECKZRNULNJ-UHFFFAOYSA-N 0 0 441.987 7.600 50 0 IKAARN Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)c1 ZINC000019635183 556834860 /nfs/dbraw/zinc/83/48/60/556834860.db2.gz PHKDOVKTOLKWFM-UHFFFAOYSA-N 0 0 441.987 7.600 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCC2 ZINC000019636360 556835331 /nfs/dbraw/zinc/83/53/31/556835331.db2.gz IYYOAHJMECIAKP-UHFFFAOYSA-N 0 0 442.540 5.881 50 0 IKAARN Cc1ccc(Cl)c(O[C@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000019637134 556835737 /nfs/dbraw/zinc/83/57/37/556835737.db2.gz DVCPPHVRADBVPQ-GFCCVEGCSA-N 0 0 442.799 6.516 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000019637624 556836016 /nfs/dbraw/zinc/83/60/16/556836016.db2.gz LZOUJIPUFDCXPD-UHFFFAOYSA-N 0 0 443.153 6.523 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)Cn2ccc3c2cccc3NC(C)=O)c2ccccc12 ZINC000334161455 556837284 /nfs/dbraw/zinc/83/72/84/556837284.db2.gz CFOJGVRSRXILIJ-VWLOTQADSA-N 0 0 441.531 5.125 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c(C)c2c1 ZINC000334161580 556837289 /nfs/dbraw/zinc/83/72/89/556837289.db2.gz CKGAWCMXTJNZEA-UHFFFAOYSA-N 0 0 440.565 5.039 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3cccc(C)c3)n2)cc1OC ZINC000019641028 556837277 /nfs/dbraw/zinc/83/72/77/556837277.db2.gz ZBVPGNLHQRLYQE-UHFFFAOYSA-N 0 0 444.531 5.608 50 0 IKAARN CC1(C)C[C@H](NC(=O)Nc2cccc(F)c2)C[C@](C)(CNC(=O)Nc2cccc(F)c2)C1 ZINC000019640928 556837294 /nfs/dbraw/zinc/83/72/94/556837294.db2.gz PJNGBGAJTFIEDC-RDPSFJRHSA-N 0 0 444.526 5.493 50 0 IKAARN CC1(C)C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@@](C)(CNC(=O)Nc2cccc(F)c2)C1 ZINC000019640913 556837313 /nfs/dbraw/zinc/83/73/13/556837313.db2.gz PJNGBGAJTFIEDC-HYBUGGRVSA-N 0 0 444.526 5.493 50 0 IKAARN Cc1c(-c2csc(NC(=O)c3cccc(COc4ccc5c(c4)CCC5)c3)n2)cnn1C ZINC000019641471 556837429 /nfs/dbraw/zinc/83/74/29/556837429.db2.gz OUEAZUPKVJMMEM-UHFFFAOYSA-N 0 0 444.560 5.172 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCc1ccc(Cl)cc1 ZINC000019642649 556837892 /nfs/dbraw/zinc/83/78/92/556837892.db2.gz PXNNNRWSSPKIEK-UHFFFAOYSA-N 0 0 445.009 5.656 50 0 IKAARN CCCc1cc(C(=O)OC)c(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)s1 ZINC000019643698 556838584 /nfs/dbraw/zinc/83/85/84/556838584.db2.gz NMEAIZODMUDPIS-UHFFFAOYSA-N 0 0 445.544 5.658 50 0 IKAARN Cc1sc2nc(SCc3ccc(F)cc3Cl)n(Cc3cccnc3)c(=O)c2c1C ZINC000019644126 556839019 /nfs/dbraw/zinc/83/90/19/556839019.db2.gz UOUAGSGKBJKKCJ-UHFFFAOYSA-N 0 0 445.972 5.603 50 0 IKAARN O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000019644071 556839034 /nfs/dbraw/zinc/83/90/34/556839034.db2.gz HGERDRRYRAYDDL-UHFFFAOYSA-N 0 0 445.925 5.657 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NCc3cnn(CC)c3C)c3ccc(Cl)c(C)c3n2)cc1 ZINC000019645551 556840118 /nfs/dbraw/zinc/84/01/18/556840118.db2.gz ASUYYVKCDZUUPT-UHFFFAOYSA-N 0 0 446.982 5.881 50 0 IKAARN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C ZINC000019646485 556840473 /nfs/dbraw/zinc/84/04/73/556840473.db2.gz IYNLVZMIOYAXHF-UHFFFAOYSA-N 0 0 447.604 5.547 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3cccc(C)c3n2)cc1C ZINC000019648023 556841066 /nfs/dbraw/zinc/84/10/66/556841066.db2.gz DZFBNYZDYVRZMQ-UHFFFAOYSA-N 0 0 448.610 6.922 50 0 IKAARN 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 ZINC000005631424 556841185 /nfs/dbraw/zinc/84/11/85/556841185.db2.gz AYNSZTKDERUHKJ-CQHKTHSUSA-N 0 0 431.620 5.198 50 0 biogenic IKAARN COC(=O)c1sc2cc(NC(=S)N3c4ccc(F)cc4CC[C@@H]3C)ccc2c1Cl ZINC000019648342 556841326 /nfs/dbraw/zinc/84/13/26/556841326.db2.gz LALNJPKXGVYOMP-NSHDSACASA-N 0 0 448.972 6.019 50 0 IKAARN COC(=O)c1cc(C)sc1NC(=S)Nc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000019648408 556841344 /nfs/dbraw/zinc/84/13/44/556841344.db2.gz QRKGOTIMRWKYAV-UHFFFAOYSA-N 0 0 449.001 5.167 50 0 IKAARN CSc1ccc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1 ZINC000023005942 556841490 /nfs/dbraw/zinc/84/14/90/556841490.db2.gz IEVFWLJOGKDXMZ-UHFFFAOYSA-N 0 0 435.578 5.008 50 0 IKAARN COc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(OC)cc3)c2Br)cc1 ZINC000019648629 556841491 /nfs/dbraw/zinc/84/14/91/556841491.db2.gz LCDGBJUXMHYMBP-UHFFFAOYSA-N 0 0 449.348 6.045 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1Cl ZINC000011212551 556842601 /nfs/dbraw/zinc/84/26/01/556842601.db2.gz BQVHWMGODHNVDK-UHFFFAOYSA-N 0 0 440.887 5.195 50 0 IKAARN O=C(COc1ccccc1F)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000008719421 556843261 /nfs/dbraw/zinc/84/32/61/556843261.db2.gz WMTMABHLOMPUBB-UHFFFAOYSA-N 0 0 432.373 5.114 50 0 IKAARN COc1ccc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000008671876 556844058 /nfs/dbraw/zinc/84/40/58/556844058.db2.gz QJJYCTQDDXOBRW-HSZRJFAPSA-N 0 0 429.545 5.044 50 0 IKAARN CC(=O)CCSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000008747065 556845227 /nfs/dbraw/zinc/84/52/27/556845227.db2.gz TZYPIEOXTQTUOI-UHFFFAOYSA-N 0 0 425.863 5.678 50 0 IKAARN CC1(C)O[C@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 ZINC000067665210 556845751 /nfs/dbraw/zinc/84/57/51/556845751.db2.gz LOMMSDDMLICVMB-FCPABOFRSA-N 0 0 439.986 7.998 50 0 in-vitro IKAARN CCOc1c(Br)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000008755327 556845769 /nfs/dbraw/zinc/84/57/69/556845769.db2.gz NXTXNSJTHLTLQA-UHFFFAOYSA-N 0 0 434.208 5.007 50 0 IKAARN C/C=C\c1ccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(OC)c1 ZINC000096794660 556845811 /nfs/dbraw/zinc/84/58/11/556845811.db2.gz IMRYOZIBTRMZRT-ARJAWSKDSA-N 0 0 437.805 5.134 50 0 IKAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 ZINC000008765207 556845951 /nfs/dbraw/zinc/84/59/51/556845951.db2.gz YCRHJSMMXCBOEV-INIZCTEOSA-N 0 0 442.515 5.317 50 0 biogenic IKAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000022108785 556846894 /nfs/dbraw/zinc/84/68/94/556846894.db2.gz ZAUFWGARBKQFEA-UHFFFAOYSA-N 0 0 434.455 5.044 50 0 IKAARN Cc1nccn1CC[C@@H]1CCCCN1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000067920087 556847610 /nfs/dbraw/zinc/84/76/10/556847610.db2.gz SBYKHNLZKGQTON-DEOSSOPVSA-N 0 0 441.579 5.200 50 0 IKAARN FC(F)(F)c1cnc(N2CCN(Cc3cc4ccccc4nc3Cl)CC2)c(Cl)c1 ZINC000096845431 556847712 /nfs/dbraw/zinc/84/77/12/556847712.db2.gz ACOUBQFDYVUTRD-UHFFFAOYSA-N 0 0 441.284 5.278 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc2ccccc2c1 ZINC000068713097 556849549 /nfs/dbraw/zinc/84/95/49/556849549.db2.gz GAAASXQLZLBYRB-MHZLTWQESA-N 0 0 441.914 5.501 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000068752391 556849628 /nfs/dbraw/zinc/84/96/28/556849628.db2.gz PWQKTIMEVYAYAU-UHFFFAOYSA-N 0 0 442.902 6.076 50 0 IKAARN COc1cc(Cl)ccc1OC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000033069255 556850831 /nfs/dbraw/zinc/85/08/31/556850831.db2.gz NEUJSFDVVBGLSL-UHFFFAOYSA-N 0 0 433.316 5.836 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008898716 556850939 /nfs/dbraw/zinc/85/09/39/556850939.db2.gz AGRMAZAPNYDIJI-UHFFFAOYSA-N 0 0 438.531 5.356 50 0 IKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc(C)cc2)nn1 ZINC000008875938 556851607 /nfs/dbraw/zinc/85/16/07/556851607.db2.gz XYPGEKJEYZQRSM-UHFFFAOYSA-N 0 0 433.562 5.010 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc([C@@H](C)Oc4ccc(F)cc4)o3)cs2)cc1 ZINC000008966357 556852136 /nfs/dbraw/zinc/85/21/36/556852136.db2.gz PSECNHPSVNYFGM-CQSZACIVSA-N 0 0 427.526 6.073 50 0 IKAARN Cc1ccc(Cn2c(CCCC(=O)NCc3ccccc3Cl)nc3cccnc32)cc1 ZINC000033072613 556852232 /nfs/dbraw/zinc/85/22/32/556852232.db2.gz BCRCKERZRLKJRA-UHFFFAOYSA-N 0 0 432.955 5.081 50 0 IKAARN Cc1ccc(Cn2c(CCCC(=O)Nc3nc4ccccc4s3)nc3cccnc32)cc1 ZINC000033072673 556852291 /nfs/dbraw/zinc/85/22/91/556852291.db2.gz SGBMUSQNWWWAGE-UHFFFAOYSA-N 0 0 441.560 5.359 50 0 IKAARN CC(C)c1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000033072854 556852539 /nfs/dbraw/zinc/85/25/39/556852539.db2.gz RHWAHPLXYHJBOH-UHFFFAOYSA-N 0 0 430.527 5.704 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CCCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000033072801 556852604 /nfs/dbraw/zinc/85/26/04/556852604.db2.gz AVQQAPXHOPBCRC-UHFFFAOYSA-N 0 0 436.918 5.542 50 0 IKAARN O=C(Cc1csc(SCc2cccc(Cl)c2)n1)Nc1nc2ccccc2s1 ZINC000008938814 556852940 /nfs/dbraw/zinc/85/29/40/556852940.db2.gz ZFJKCFYUWWUGKF-UHFFFAOYSA-N 0 0 431.995 5.880 50 0 IKAARN Cc1ccc(CSc2nc(CC(=O)Nc3nc4ccc(C)cc4s3)cs2)cc1 ZINC000008936720 556853031 /nfs/dbraw/zinc/85/30/31/556853031.db2.gz HENGIOLOZCHKTE-UHFFFAOYSA-N 0 0 425.604 5.843 50 0 IKAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3cc(C)c(Cl)cc3OC)CC2)s1 ZINC000033078230 556853291 /nfs/dbraw/zinc/85/32/91/556853291.db2.gz MCTJXMCBQPJJCF-UHFFFAOYSA-N 0 0 444.988 5.079 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3Cl)oc21 ZINC000008960413 556853306 /nfs/dbraw/zinc/85/33/06/556853306.db2.gz XYBBPECBORCRGL-UHFFFAOYSA-N 0 0 440.282 6.232 50 0 IKAARN Cc1ccc2nc(-c3c(=O)[nH]c4ccccc4c3-c3ccccc3)cc(-c3ccccc3)c2c1 ZINC000008990076 556853334 /nfs/dbraw/zinc/85/33/34/556853334.db2.gz XXDRMOSCZNZEOS-UHFFFAOYSA-N 0 0 438.530 7.386 50 0 IKAARN Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078856 556853925 /nfs/dbraw/zinc/85/39/25/556853925.db2.gz VDDNLOSCOXOAGN-UHFFFAOYSA-N 0 0 428.989 5.352 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2sc3ncnc(N(C)C4CCCCC4)c3c2C)c1 ZINC000033078868 556853988 /nfs/dbraw/zinc/85/39/88/556853988.db2.gz WNIVSRXIOYIXRO-UHFFFAOYSA-N 0 0 440.569 5.038 50 0 IKAARN CC(C)Cn1c(SCc2ccccc2)nc2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000033076989 556854211 /nfs/dbraw/zinc/85/42/11/556854211.db2.gz XQQITEDWCVMGDU-UHFFFAOYSA-N 0 0 435.593 5.017 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Br)cc2F)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078936 556854286 /nfs/dbraw/zinc/85/42/86/556854286.db2.gz CAAFOUHTTJBPNW-UHFFFAOYSA-N 0 0 449.349 5.062 50 0 IKAARN CCOC(=O)c1ccoc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000008988914 556854711 /nfs/dbraw/zinc/85/47/11/556854711.db2.gz JLGJRLSOMIEWHG-UHFFFAOYSA-N 0 0 431.945 5.776 50 0 IKAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(C)c4C)CC3)c(C)o2)cc1 ZINC000033085211 556855292 /nfs/dbraw/zinc/85/52/92/556855292.db2.gz QDUNZSZNOQWWDZ-UHFFFAOYSA-N 0 0 448.567 5.015 50 0 IKAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)c(C)o2)cc1 ZINC000033085221 556855319 /nfs/dbraw/zinc/85/53/19/556855319.db2.gz FNCVVHYFOTUZAE-UHFFFAOYSA-N 0 0 448.567 5.015 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000033085281 556855352 /nfs/dbraw/zinc/85/53/52/556855352.db2.gz SAAGDPISYAQJMP-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088368 556856306 /nfs/dbraw/zinc/85/63/06/556856306.db2.gz DLZWPAZVXQFTAO-UHFFFAOYSA-N 0 0 443.404 5.325 50 0 IKAARN CC(C)c1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088394 556856371 /nfs/dbraw/zinc/85/63/71/556856371.db2.gz CVGKJKCIDMZYGL-UHFFFAOYSA-N 0 0 443.404 5.325 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085637 556856459 /nfs/dbraw/zinc/85/64/59/556856459.db2.gz CLDZBZLCNNBHAX-UHFFFAOYSA-N 0 0 444.535 5.229 50 0 IKAARN O=C(NCCc1ccccc1)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085767 556856689 /nfs/dbraw/zinc/85/66/89/556856689.db2.gz UUMIMDJFXMHTLS-UHFFFAOYSA-N 0 0 436.490 5.404 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2ccccc2F)nn1 ZINC000033086760 556857181 /nfs/dbraw/zinc/85/71/81/556857181.db2.gz XPUKLDPRHOPOJS-UHFFFAOYSA-N 0 0 442.566 5.507 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4cccs4)cs3)no2)cc1 ZINC000033087431 556857622 /nfs/dbraw/zinc/85/76/22/556857622.db2.gz LXKYNFRZVSUJTN-UHFFFAOYSA-N 0 0 442.591 5.427 50 0 IKAARN C[C@@H]1Cc2cc(Br)cc3c2n1cc(C(=O)Nc1cccc2ccccc21)c3=O ZINC000033089202 556858249 /nfs/dbraw/zinc/85/82/49/556858249.db2.gz CAFLFFNDUHAUGJ-CYBMUJFWSA-N 0 0 433.305 5.287 50 0 IKAARN Cc1cc(C)cc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)c1 ZINC000033096871 556858396 /nfs/dbraw/zinc/85/83/96/556858396.db2.gz UXOZKKHXPIQACU-KHPPLWFESA-N 0 0 431.333 5.935 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000033106374 556858907 /nfs/dbraw/zinc/85/89/07/556858907.db2.gz BBCXLCCSJWRJPD-UHFFFAOYSA-N 0 0 427.548 5.789 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)cc1C ZINC000033106562 556859074 /nfs/dbraw/zinc/85/90/74/556859074.db2.gz APNPWLIANJSJIN-UHFFFAOYSA-N 0 0 439.563 5.056 50 0 IKAARN CCc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000033106558 556859228 /nfs/dbraw/zinc/85/92/28/556859228.db2.gz AGHAMTWDQGWEQM-UHFFFAOYSA-N 0 0 439.563 5.001 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccc(C)c(C)c4)C3)s2)cc1 ZINC000033113292 556859893 /nfs/dbraw/zinc/85/98/93/556859893.db2.gz GHDALKQJLDUCRK-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)s2)cc1 ZINC000033114045 556860899 /nfs/dbraw/zinc/86/08/99/556860899.db2.gz IYRYVDVVRJFQGX-UHFFFAOYSA-N 0 0 449.580 5.127 50 0 IKAARN COc1ccc(-n2nnnc2[C@H](CC(C)C)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004663582 556861000 /nfs/dbraw/zinc/86/10/00/556861000.db2.gz SAGPCWOSXIWJRQ-VWLOTQADSA-N 0 0 427.552 5.465 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(N3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000033114734 556861480 /nfs/dbraw/zinc/86/14/80/556861480.db2.gz RYKCKSPOIDJGPH-UHFFFAOYSA-N 0 0 440.572 5.232 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2CC)cc1 ZINC000033116509 556862013 /nfs/dbraw/zinc/86/20/13/556862013.db2.gz CJKRXDDEPODANI-UHFFFAOYSA-N 0 0 447.604 5.595 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2CC)cc1 ZINC000033116523 556862309 /nfs/dbraw/zinc/86/23/09/556862309.db2.gz DKLHVAJYZWWSLM-UHFFFAOYSA-N 0 0 433.577 5.205 50 0 IKAARN CCn1c(CCc2ccccc2NS(=O)(=O)c2cc(C)ccc2C)nc2ccccc21 ZINC000033116517 556862351 /nfs/dbraw/zinc/86/23/51/556862351.db2.gz NXBWTRIUDQWRMJ-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN CCn1c(CCc2cccc(NS(=O)(=O)c3cc(C)cc(C)c3)c2)nc2ccccc21 ZINC000033116547 556862410 /nfs/dbraw/zinc/86/24/10/556862410.db2.gz JBUOGNLXFUDAAY-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN COc1ccc(Nc2cc(C(=O)N[C@H](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000004668055 556862516 /nfs/dbraw/zinc/86/25/16/556862516.db2.gz NSIDVGLBFXMCIM-LJQANCHMSA-N 0 0 425.532 5.738 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n2ncnc2n1 ZINC000033122025 556863082 /nfs/dbraw/zinc/86/30/82/556863082.db2.gz VHIFPGJYNSWGQP-UHFFFAOYSA-N 0 0 431.565 5.388 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(Sc3c(CC)c(C)nc4ncnn43)cc2)cc1 ZINC000033122173 556863200 /nfs/dbraw/zinc/86/32/00/556863200.db2.gz ZAWZGBMJAYEBQV-UHFFFAOYSA-N 0 0 448.552 5.189 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(Br)cc1F ZINC000033124101 556864174 /nfs/dbraw/zinc/86/41/74/556864174.db2.gz CPEFRAHZIYDUAE-UHFFFAOYSA-N 0 0 442.313 6.509 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1 ZINC000033123694 556864184 /nfs/dbraw/zinc/86/41/84/556864184.db2.gz USEHQAWZPPNDEO-UHFFFAOYSA-N 0 0 431.467 5.724 50 0 IKAARN CCOC(=O)C[C@@H](NC(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccccc1 ZINC000033123962 556864213 /nfs/dbraw/zinc/86/42/13/556864213.db2.gz BTBQBOZPRIDYDB-XMMPIXPASA-N 0 0 445.494 5.790 50 0 IKAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033124151 556864255 /nfs/dbraw/zinc/86/42/55/556864255.db2.gz JTBYCFYPQXEEOM-UHFFFAOYSA-N 0 0 437.908 6.047 50 0 IKAARN O=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128736 556865806 /nfs/dbraw/zinc/86/58/06/556865806.db2.gz BNIVJUSSGMZPRC-UHFFFAOYSA-N 0 0 436.309 5.296 50 0 IKAARN COC(=O)c1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)cc(OC)c3c2)cc1 ZINC000033129185 556866108 /nfs/dbraw/zinc/86/61/08/556866108.db2.gz JSZBCCKFGKLXFW-UHFFFAOYSA-N 0 0 427.460 5.341 50 0 IKAARN COc1ccc(C)cc1NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033125795 556866757 /nfs/dbraw/zinc/86/67/57/556866757.db2.gz FHHIWRKZDIHOOM-UHFFFAOYSA-N 0 0 444.963 5.113 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1 ZINC000033126464 556867338 /nfs/dbraw/zinc/86/73/38/556867338.db2.gz BVIPXXBLBNTHRF-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)c(Cl)c1 ZINC000033126813 556867343 /nfs/dbraw/zinc/86/73/43/556867343.db2.gz FETHAHBXVNGTPV-UHFFFAOYSA-N 0 0 448.950 5.694 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)c(OC)c1 ZINC000033126460 556867387 /nfs/dbraw/zinc/86/73/87/556867387.db2.gz VJTDMCUZPWEOTL-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1 ZINC000033126467 556867412 /nfs/dbraw/zinc/86/74/12/556867412.db2.gz QWTAVSHDPKFNOK-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)cc1 ZINC000004673078 556868176 /nfs/dbraw/zinc/86/81/76/556868176.db2.gz BGLNNYUZJHIGGC-RUZDIDTESA-N 0 0 426.601 5.243 50 0 IKAARN COc1ccccc1NC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)cc(OC)c2c1 ZINC000033129248 556868388 /nfs/dbraw/zinc/86/83/88/556868388.db2.gz YGUWNWSGNPNVSH-UHFFFAOYSA-N 0 0 433.895 6.216 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000033129495 556868772 /nfs/dbraw/zinc/86/87/72/556868772.db2.gz SDHPTDBVYNGNOZ-UHFFFAOYSA-N 0 0 432.505 5.591 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1 ZINC000033130446 556870309 /nfs/dbraw/zinc/87/03/09/556870309.db2.gz WTRDTTYZMXNHSK-UHFFFAOYSA-N 0 0 427.529 5.588 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1OC ZINC000033130435 556870313 /nfs/dbraw/zinc/87/03/13/556870313.db2.gz DEGUIBWBNAAIQF-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130439 556870315 /nfs/dbraw/zinc/87/03/15/556870315.db2.gz MNSUCVNIAFODQL-UHFFFAOYSA-N 0 0 446.304 5.951 50 0 IKAARN COc1cccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)c1 ZINC000033130406 556870321 /nfs/dbraw/zinc/87/03/21/556870321.db2.gz INVXDWXEUIUTGP-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1 ZINC000033130353 556870364 /nfs/dbraw/zinc/87/03/64/556870364.db2.gz KTLZSLCIUQRDJI-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)n2)c1 ZINC000033130564 556870568 /nfs/dbraw/zinc/87/05/68/556870568.db2.gz TXPDXEUZTJEQFA-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)n1 ZINC000033130528 556870589 /nfs/dbraw/zinc/87/05/89/556870589.db2.gz XBEJCTMJFSXDOA-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN CCc1ccc(NC(=O)c2cccc(-c3nccc(Oc4cccc(OC)c4)n3)c2)cc1 ZINC000033130561 556870594 /nfs/dbraw/zinc/87/05/94/556870594.db2.gz WPCCBOPKXFLHKI-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)n1 ZINC000033130538 556870599 /nfs/dbraw/zinc/87/05/99/556870599.db2.gz SDIWISIOZSGDQT-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000033130533 556870629 /nfs/dbraw/zinc/87/06/29/556870629.db2.gz BAFZSVPVGLUJOR-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)n1 ZINC000033130530 556870648 /nfs/dbraw/zinc/87/06/48/556870648.db2.gz HGVXAWDLQGDPAW-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2cccc(Cl)c2)c(Nc2cccc(C)c2)n1 ZINC000033130651 556870826 /nfs/dbraw/zinc/87/08/26/556870826.db2.gz GNKLWHKOQICVMV-UHFFFAOYSA-N 0 0 434.927 5.919 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(C(C)=O)cc2)n1 ZINC000033130652 556870859 /nfs/dbraw/zinc/87/08/59/556870859.db2.gz PTSLZNGBSWYQOK-UHFFFAOYSA-N 0 0 428.492 5.160 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2cccc(Cl)c2)c(Nc2ccc(F)cc2)n1 ZINC000033130650 556870892 /nfs/dbraw/zinc/87/08/92/556870892.db2.gz MXTFJCUCZAJTCP-UHFFFAOYSA-N 0 0 438.890 5.750 50 0 IKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)nn1 ZINC000033130856 556871086 /nfs/dbraw/zinc/87/10/86/556871086.db2.gz MHXCFQRAWCNMSO-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(-c2ccc(Oc3ccccc3OC)nn2)cc1 ZINC000033130862 556871127 /nfs/dbraw/zinc/87/11/27/556871127.db2.gz XJXRFMIHOJSCTC-UHFFFAOYSA-N 0 0 441.487 5.596 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccc(C)cc2)c(Nc2cccc(Cl)c2)n1 ZINC000033130661 556871133 /nfs/dbraw/zinc/87/11/33/556871133.db2.gz GPOCCSNWKKICBK-UHFFFAOYSA-N 0 0 434.927 5.919 50 0 IKAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4ccccc4OC)c3)nn2)cc1 ZINC000033130988 556871336 /nfs/dbraw/zinc/87/13/36/556871336.db2.gz AYPCYMGKGIYKTA-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CCC(=O)N3CCc4ccccc4C3)ccc21 ZINC000004676476 556873011 /nfs/dbraw/zinc/87/30/11/556873011.db2.gz OUNVNLCXMYLBPY-UHFFFAOYSA-N 0 0 425.532 5.118 50 0 IKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)n2)cc1 ZINC000033139168 556873017 /nfs/dbraw/zinc/87/30/17/556873017.db2.gz RDOUAMQYPKXHEO-UHFFFAOYSA-N 0 0 429.907 6.458 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)c(OC)c1 ZINC000033139128 556873060 /nfs/dbraw/zinc/87/30/60/556873060.db2.gz NODMAXCPIYOQHQ-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)c(OC)c1 ZINC000033139265 556874053 /nfs/dbraw/zinc/87/40/53/556874053.db2.gz LUOBHFUTGMGWNE-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)c1 ZINC000033139284 556874090 /nfs/dbraw/zinc/87/40/90/556874090.db2.gz GJFSJXCAKUXVQV-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)nc1 ZINC000033139257 556874165 /nfs/dbraw/zinc/87/41/65/556874165.db2.gz IUQOGSHGGNYLDD-UHFFFAOYSA-N 0 0 433.870 6.289 50 0 IKAARN O=C(NCc1cccnc1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139863 556875001 /nfs/dbraw/zinc/87/50/01/556875001.db2.gz PHSFVZNZIFNKFW-UHFFFAOYSA-N 0 0 448.935 5.399 50 0 IKAARN O=C(NCCc1ccco1)c1ccc(Oc2nccnc2Sc2ccc(F)cc2)cc1 ZINC000033139937 556875080 /nfs/dbraw/zinc/87/50/80/556875080.db2.gz FCSWIMYOOCFUTL-UHFFFAOYSA-N 0 0 435.480 5.125 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Oc3nccnc3Sc3ccccc3)cc2)c(C)c1 ZINC000033139984 556875145 /nfs/dbraw/zinc/87/51/45/556875145.db2.gz SCCWJQZAZYIBKZ-UHFFFAOYSA-N 0 0 427.529 6.289 50 0 IKAARN CCOc1ccc(CNC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1OCC ZINC000033140164 556875432 /nfs/dbraw/zinc/87/54/32/556875432.db2.gz YCTDRZYBGRIMSS-UHFFFAOYSA-N 0 0 426.516 5.629 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720527 556876385 /nfs/dbraw/zinc/87/63/85/556876385.db2.gz IQHILWKENYEQEE-UHFFFAOYSA-N 0 0 425.359 5.541 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019721002 556876419 /nfs/dbraw/zinc/87/64/19/556876419.db2.gz GQSVKMYYHWBWKL-UHFFFAOYSA-N 0 0 425.359 5.541 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(SC)cc1)CC2 ZINC000019732539 556876761 /nfs/dbraw/zinc/87/67/61/556876761.db2.gz RXUVELMVMATKMZ-RUZDIDTESA-N 0 0 440.008 6.227 50 0 IKAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)c1 ZINC000033142069 556877342 /nfs/dbraw/zinc/87/73/42/556877342.db2.gz JDBSOMVUCIMLHN-NRFANRHFSA-N 0 0 444.579 5.288 50 0 IKAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)c1 ZINC000033142068 556877357 /nfs/dbraw/zinc/87/73/57/556877357.db2.gz JDBSOMVUCIMLHN-OAQYLSRUSA-N 0 0 444.579 5.288 50 0 IKAARN CCCC[C@@H](CC)COc1c2ccsc2c(OC[C@H](CC)CCCC)c2ccsc21 ZINC000071261113 556879888 /nfs/dbraw/zinc/87/98/88/556879888.db2.gz HATOWNJGYIVNBU-WOJBJXKFSA-N 0 0 446.722 9.306 50 0 IKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(Cl)cc1)C(=O)N2c1ccccc1F ZINC000071326305 556880411 /nfs/dbraw/zinc/88/04/11/556880411.db2.gz GISXCYRXDQBUJJ-RDPSFJRHSA-N 0 0 436.870 5.802 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)c(F)c4)cc3)sc2c1 ZINC000033169222 556880593 /nfs/dbraw/zinc/88/05/93/556880593.db2.gz DEGDITCDAHILKL-UHFFFAOYSA-N 0 0 428.510 5.220 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169238 556880655 /nfs/dbraw/zinc/88/06/55/556880655.db2.gz ZDPPPSFUXCJRLS-UHFFFAOYSA-N 0 0 430.938 5.426 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)NCCC3=CCCCC3)CC2)c1 ZINC000033168656 556880671 /nfs/dbraw/zinc/88/06/71/556880671.db2.gz LCUNUMSVXVHFAZ-UHFFFAOYSA-N 0 0 436.625 5.159 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168685 556880913 /nfs/dbraw/zinc/88/09/13/556880913.db2.gz XVRABJKBOSKAAI-FQEVSTJZSA-N 0 0 432.593 5.354 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169047 556881145 /nfs/dbraw/zinc/88/11/45/556881145.db2.gz YUNKPUZFZCVDQS-UHFFFAOYSA-N 0 0 428.966 5.980 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)c(Cl)c2)cc1 ZINC000033169060 556881363 /nfs/dbraw/zinc/88/13/63/556881363.db2.gz DQWRXNGLOKMJII-UHFFFAOYSA-N 0 0 428.966 6.034 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000033169121 556881369 /nfs/dbraw/zinc/88/13/69/556881369.db2.gz BPTWNLOIGKQIPX-UHFFFAOYSA-N 0 0 434.586 5.951 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)sc2c1 ZINC000033169193 556881438 /nfs/dbraw/zinc/88/14/38/556881438.db2.gz OOADHAONNCULLW-UHFFFAOYSA-N 0 0 428.510 5.220 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCCC5)cc3)sc2c1 ZINC000033169162 556881448 /nfs/dbraw/zinc/88/14/48/556881448.db2.gz RRLSXROFRSXRLD-UHFFFAOYSA-N 0 0 434.586 5.951 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000033169130 556881518 /nfs/dbraw/zinc/88/15/18/556881518.db2.gz VGLBAOZXLYTYGK-UHFFFAOYSA-N 0 0 428.966 6.034 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cc1 ZINC000033169089 556881566 /nfs/dbraw/zinc/88/15/66/556881566.db2.gz NRCKJQFHWTUVHC-UHFFFAOYSA-N 0 0 449.384 6.379 50 0 IKAARN COc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1OC ZINC000033171486 556882580 /nfs/dbraw/zinc/88/25/80/556882580.db2.gz SIRVEJPCBSGTTK-UHFFFAOYSA-N 0 0 447.438 5.487 50 0 IKAARN Cc1ccccc1-c1noc(Cc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)n1 ZINC000033171513 556882635 /nfs/dbraw/zinc/88/26/35/556882635.db2.gz OMTIFGJZSJZTEY-UHFFFAOYSA-N 0 0 435.892 5.519 50 0 IKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000033171989 556882786 /nfs/dbraw/zinc/88/27/86/556882786.db2.gz FXNFKUZAFIXRJJ-UHFFFAOYSA-N 0 0 435.471 5.358 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CSc2ncnc3c4cc(C)ccc4[nH]c32)c(C)c1 ZINC000033172531 556882857 /nfs/dbraw/zinc/88/28/57/556882857.db2.gz FJIVHUVAMGFPSJ-UHFFFAOYSA-N 0 0 433.581 5.305 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000033173546 556883509 /nfs/dbraw/zinc/88/35/09/556883509.db2.gz MIJQXXNKMLOTQQ-UHFFFAOYSA-N 0 0 430.835 5.377 50 0 IKAARN COc1cccc(CNC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c1 ZINC000033169406 556884492 /nfs/dbraw/zinc/88/44/92/556884492.db2.gz FPNXSWXVJUGIRT-UHFFFAOYSA-N 0 0 427.504 5.956 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1 ZINC000033169329 556884505 /nfs/dbraw/zinc/88/45/05/556884505.db2.gz JEGQRJQUYKJXNK-UHFFFAOYSA-N 0 0 441.487 5.758 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)c1 ZINC000033169353 556884547 /nfs/dbraw/zinc/88/45/47/556884547.db2.gz NQEBCLHCFXHZIA-UHFFFAOYSA-N 0 0 427.460 5.829 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc1 ZINC000033169391 556884562 /nfs/dbraw/zinc/88/45/62/556884562.db2.gz SKMVLWGGGNOLNZ-UHFFFAOYSA-N 0 0 427.504 6.668 50 0 IKAARN CCCCC1CCC(C(=O)OCC(=O)c2ccc(C3CCC(CCC)CC3)cc2)CC1 ZINC000004697348 556887163 /nfs/dbraw/zinc/88/71/63/556887163.db2.gz WZUFTEOYZWJVKB-UHFFFAOYSA-N 0 0 426.641 7.483 50 0 IKAARN CCN(CC)C(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000004702089 556887405 /nfs/dbraw/zinc/88/74/05/556887405.db2.gz QCRXXRHCEANMGX-MRXNPFEDSA-N 0 0 430.589 5.773 50 0 IKAARN OC(c1ccccc1)([C@H](c1ccccc1)c1ccccn1)[C@H](c1ccccc1)c1ccccn1 ZINC000071767163 556887433 /nfs/dbraw/zinc/88/74/33/556887433.db2.gz ZEDBVJOWFKEYDR-LOYHVIPDSA-N 0 0 442.562 6.328 50 0 IKAARN CNC(=O)c1c(N)c(C(=O)c2ccc(-c3ccccc3)cc2)sc1Nc1ccccc1 ZINC000071769374 556887846 /nfs/dbraw/zinc/88/78/46/556887846.db2.gz FCQTZGHKJJOELR-UHFFFAOYSA-N 0 0 427.529 5.332 50 0 IKAARN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000071770820 556888111 /nfs/dbraw/zinc/88/81/11/556888111.db2.gz OLLAJSNLQPFYSL-UIFQYPGESA-N 0 0 442.728 8.206 50 0 IKAARN CC(C)(C)c1nc2cc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)ccc2o1 ZINC000033216139 556888357 /nfs/dbraw/zinc/88/83/57/556888357.db2.gz LRGXZAYGNXGDDJ-UHFFFAOYSA-N 0 0 446.404 5.721 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H](CC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251084 556891686 /nfs/dbraw/zinc/89/16/86/556891686.db2.gz RWEJLBPRJQIYGL-GOSISDBHSA-N 0 0 431.458 5.184 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251054 556891688 /nfs/dbraw/zinc/89/16/88/556891688.db2.gz MKZOCZLZTPJQFF-LJQANCHMSA-N 0 0 445.485 5.745 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251157 556891871 /nfs/dbraw/zinc/89/18/71/556891871.db2.gz YBCVNUYADNLSMZ-GOSISDBHSA-N 0 0 431.458 5.239 50 0 IKAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)c2cc1C ZINC000033251117 556891873 /nfs/dbraw/zinc/89/18/73/556891873.db2.gz SEYRQERMVNEZEE-ZDUSSCGKSA-N 0 0 437.849 5.194 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251156 556891887 /nfs/dbraw/zinc/89/18/87/556891887.db2.gz YBCVNUYADNLSMZ-SFHVURJKSA-N 0 0 431.458 5.239 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1Cl)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251158 556891916 /nfs/dbraw/zinc/89/19/16/556891916.db2.gz LNTJLNCHJKCWHD-INIZCTEOSA-N 0 0 437.849 5.275 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](CC)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000033251169 556891937 /nfs/dbraw/zinc/89/19/37/556891937.db2.gz GDDQAQCYAXTHPT-GOSISDBHSA-N 0 0 431.458 5.184 50 0 IKAARN CCc1cccc(NC(=O)[C@H](CC)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)c1 ZINC000033251188 556892122 /nfs/dbraw/zinc/89/21/22/556892122.db2.gz INKMOJMWBHSFAB-SFHVURJKSA-N 0 0 431.458 5.184 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)nc2ccccc21 ZINC000033252612 556893212 /nfs/dbraw/zinc/89/32/12/556893212.db2.gz AYXFUSUHOPVPNY-UHFFFAOYSA-N 0 0 429.520 5.111 50 0 IKAARN COc1ccc2[nH]c(C(=O)NCCc3ccc(Cl)cc3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252537 556893266 /nfs/dbraw/zinc/89/32/66/556893266.db2.gz RRAVYECEELWXBG-UHFFFAOYSA-N 0 0 447.922 5.055 50 0 biogenic IKAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)Cc3ccccc3)n2)cc1 ZINC000004723820 556894535 /nfs/dbraw/zinc/89/45/35/556894535.db2.gz HUHBWKDNEXDRRC-UHFFFAOYSA-N 0 0 425.536 5.002 50 0 IKAARN CC1CCN(c2ccc(-c3noc([C@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc2)CC1 ZINC000033255392 556894996 /nfs/dbraw/zinc/89/49/96/556894996.db2.gz WAQGPGPXAPACSP-SFHVURJKSA-N 0 0 436.943 5.147 50 0 IKAARN Cn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255935 556895166 /nfs/dbraw/zinc/89/51/66/556895166.db2.gz VDFJFNVWIUIZIV-UHFFFAOYSA-N 0 0 438.890 5.038 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000033256974 556895548 /nfs/dbraw/zinc/89/55/48/556895548.db2.gz ZBHVPRMXRXGDEI-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(Cc3ccccc3Br)n2)cc1 ZINC000033257206 556895601 /nfs/dbraw/zinc/89/56/01/556895601.db2.gz QIJJZUTWTNWFIG-CYBMUJFWSA-N 0 0 429.318 5.010 50 0 IKAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033257416 556895718 /nfs/dbraw/zinc/89/57/18/556895718.db2.gz MXUTVPJNLKWEAV-UHFFFAOYSA-N 0 0 437.931 5.012 50 0 IKAARN O=C(Nc1ccccc1Cl)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000033258268 556895998 /nfs/dbraw/zinc/89/59/98/556895998.db2.gz BFUHITPYYSPKHM-UHFFFAOYSA-N 0 0 437.931 5.012 50 0 IKAARN CCc1ccccc1NC(=O)c1cn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)nc1C ZINC000033258634 556896395 /nfs/dbraw/zinc/89/63/95/556896395.db2.gz VDGNYNKDRPMIBT-UHFFFAOYSA-N 0 0 441.535 5.703 50 0 IKAARN COc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCCC5)n4)cc3)nc2C)cc1 ZINC000033258624 556896429 /nfs/dbraw/zinc/89/64/29/556896429.db2.gz PJZPJOLQZOLFDE-UHFFFAOYSA-N 0 0 443.507 5.149 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000033258588 556896462 /nfs/dbraw/zinc/89/64/62/556896462.db2.gz OYLDDUZMMJIUIV-UHFFFAOYSA-N 0 0 427.508 5.367 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1Cl ZINC000033258683 556896570 /nfs/dbraw/zinc/89/65/70/556896570.db2.gz GCUJZKCQORORKE-UHFFFAOYSA-N 0 0 437.862 5.153 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1OC ZINC000033260936 556897602 /nfs/dbraw/zinc/89/76/02/556897602.db2.gz HSZVXLAHFASETI-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)nn2)c(C)c1C ZINC000072115739 556897786 /nfs/dbraw/zinc/89/77/86/556897786.db2.gz VFNZEKLPSMDOJR-UHFFFAOYSA-N 0 0 445.502 5.423 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c(Cl)c1 ZINC000072117715 556898223 /nfs/dbraw/zinc/89/82/23/556898223.db2.gz VDWOBJSGCVZIMD-UHFFFAOYSA-N 0 0 436.947 5.735 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc(OC)c1 ZINC000033261026 556898228 /nfs/dbraw/zinc/89/82/28/556898228.db2.gz QCLXTLSZGNTRLU-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)nn2)c(C)c1C ZINC000072117343 556898237 /nfs/dbraw/zinc/89/82/37/556898237.db2.gz IUNRYZVNFDCWTN-UHFFFAOYSA-N 0 0 449.465 5.253 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261295 556898798 /nfs/dbraw/zinc/89/87/98/556898798.db2.gz MUMHZFQQXHMZCU-UHFFFAOYSA-N 0 0 428.423 5.007 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)ncn2)c1 ZINC000033261153 556898815 /nfs/dbraw/zinc/89/88/15/556898815.db2.gz LYQAROHOFIQUGD-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261200 556898860 /nfs/dbraw/zinc/89/88/60/556898860.db2.gz JZIVGRJPNGXRMH-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1 ZINC000072140634 556899283 /nfs/dbraw/zinc/89/92/83/556899283.db2.gz WFRSJLOQWWIPLN-UHFFFAOYSA-N 0 0 441.539 5.538 50 0 IKAARN Fc1ccc(-c2ccc(SCc3nc(-c4cccc(Br)c4)no3)nn2)cc1 ZINC000033262512 556900656 /nfs/dbraw/zinc/90/06/56/556900656.db2.gz LJPDLCWMIUICJQ-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN Fc1ccc(-c2ccc(SCc3nc(-c4ccc(Br)cc4)no3)nn2)cc1 ZINC000033262508 556900776 /nfs/dbraw/zinc/90/07/76/556900776.db2.gz DPIVPJCGAOXKOT-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1OC ZINC000033262539 556900847 /nfs/dbraw/zinc/90/08/47/556900847.db2.gz DYROXAJRMRXPNW-UHFFFAOYSA-N 0 0 438.484 5.032 50 0 IKAARN COc1ccc(NC(=O)CSCc2ccc(-c3nc(-c4ccc(F)cc4)no3)o2)cc1 ZINC000033262378 556902031 /nfs/dbraw/zinc/90/20/31/556902031.db2.gz OBDITAXFCLQQEK-UHFFFAOYSA-N 0 0 439.468 5.016 50 0 IKAARN Clc1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C/COc1ccc(Cl)cc1Cl)O2 ZINC000019770709 556912755 /nfs/dbraw/zinc/91/27/55/556912755.db2.gz FHHSQACDRWHZBS-CHAWVXOGSA-N 0 0 426.727 5.375 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000019799442 556916959 /nfs/dbraw/zinc/91/69/59/556916959.db2.gz TXTDZCLGSCYGQU-YLJYHZDGSA-N 0 0 445.769 6.406 50 0 IKAARN O=C(c1ccc(OC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1)N1CCCCC1 ZINC000019800412 556917365 /nfs/dbraw/zinc/91/73/65/556917365.db2.gz PAJOEQQDZLYEFX-UHFFFAOYSA-N 0 0 430.951 5.149 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000019809829 556918499 /nfs/dbraw/zinc/91/84/99/556918499.db2.gz CCYPVGFUPKSWSD-UHFFFAOYSA-N 0 0 434.304 5.461 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)C1=Cc3cc(Cl)ccc3OC=C1)C[C@@H](C)CC2 ZINC000019809857 556918699 /nfs/dbraw/zinc/91/86/99/556918699.db2.gz KKSJSDJYTHSLAT-LBPRGKRZSA-N 0 0 429.925 5.241 50 0 IKAARN Clc1ccc(-c2nnc(SCc3cccc4ccccc43)n2Cc2ccco2)cc1 ZINC000019810520 556918891 /nfs/dbraw/zinc/91/88/91/556918891.db2.gz IIRZYRDGQMCUJG-UHFFFAOYSA-N 0 0 431.948 6.685 50 0 IKAARN CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000019810028 556918913 /nfs/dbraw/zinc/91/89/13/556918913.db2.gz XZRPGPQRJCPILS-UHFFFAOYSA-N 0 0 434.008 7.178 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000019810803 556919185 /nfs/dbraw/zinc/91/91/85/556919185.db2.gz HAMKAHQGASJJCP-UHFFFAOYSA-N 0 0 435.524 5.773 50 0 IKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccc2F)cc1 ZINC000019823060 556924680 /nfs/dbraw/zinc/92/46/80/556924680.db2.gz JIHKGCULWQIAST-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2F)cc1 ZINC000019823130 556924691 /nfs/dbraw/zinc/92/46/91/556924691.db2.gz JYVMMSAPAYDNFU-UHFFFAOYSA-N 0 0 437.927 6.010 50 0 IKAARN COc1ccccc1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 ZINC000019822962 556924704 /nfs/dbraw/zinc/92/47/04/556924704.db2.gz BUOQYQHUTHQEDE-UHFFFAOYSA-N 0 0 433.508 5.365 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000019823424 556924936 /nfs/dbraw/zinc/92/49/36/556924936.db2.gz DLJHKOVTSHEXGA-GOSISDBHSA-N 0 0 443.576 5.574 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2cccnc2)cc1 ZINC000019823551 556925156 /nfs/dbraw/zinc/92/51/56/556925156.db2.gz ZKDKZBCLRQWDPD-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2cccnc2)cc1 ZINC000019823906 556925227 /nfs/dbraw/zinc/92/52/27/556925227.db2.gz QJFQAVKUMSOJIA-UHFFFAOYSA-N 0 0 443.359 5.937 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2ccco2)cc1 ZINC000019824058 556925314 /nfs/dbraw/zinc/92/53/14/556925314.db2.gz NJAJDBDRBBOAGA-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN Clc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccco2)cc1 ZINC000019824228 556925320 /nfs/dbraw/zinc/92/53/20/556925320.db2.gz AITFZASXNBUTDR-UHFFFAOYSA-N 0 0 446.757 6.236 50 0 IKAARN Clc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 ZINC000019824191 556925367 /nfs/dbraw/zinc/92/53/67/556925367.db2.gz PQFZSTHEOKPAIH-UHFFFAOYSA-N 0 0 436.751 6.780 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)cc1 ZINC000019824647 556925726 /nfs/dbraw/zinc/92/57/26/556925726.db2.gz DPGIEJWSNFHTEQ-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN O=C(c1cncc(-c2cccs2)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019835183 556928100 /nfs/dbraw/zinc/92/81/00/556928100.db2.gz HZFRSLPQAAISFT-UHFFFAOYSA-N 0 0 437.568 5.338 50 0 IKAARN CCOc1ccccc1-c1nc(CN(Cc2scnc2C)Cc2ccccc2)c(C)o1 ZINC000019839098 556929030 /nfs/dbraw/zinc/92/90/30/556929030.db2.gz VMEFWCUDQRBAHX-UHFFFAOYSA-N 0 0 433.577 6.016 50 0 IKAARN Cc1cccc(C(=O)NC(N2CCCC[C@H]2c2cccnc2)(C(F)(F)F)C(F)(F)F)c1 ZINC000019847977 556930089 /nfs/dbraw/zinc/93/00/89/556930089.db2.gz XIHQRLMVQXWODZ-KRWDZBQOSA-N 0 0 445.407 5.168 50 0 biogenic IKAARN O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1ccc(Br)c2ccccc21 ZINC000019855176 556931213 /nfs/dbraw/zinc/93/12/13/556931213.db2.gz QQKWUORVMGEJAW-UHFFFAOYSA-N 0 0 445.363 5.095 50 0 IKAARN Clc1ccc(-c2nnc(SCc3cccc4nsnc43)n2-c2ccccc2)cc1 ZINC000019858503 556932066 /nfs/dbraw/zinc/93/20/66/556932066.db2.gz NYJKGADASWYEDX-UHFFFAOYSA-N 0 0 435.965 5.885 50 0 IKAARN Cc1cc(NC(=O)c2cccc(Br)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000019860421 556932816 /nfs/dbraw/zinc/93/28/16/556932816.db2.gz MSLIFSFWTVCWSO-UHFFFAOYSA-N 0 0 449.304 6.008 50 0 IKAARN Cc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000019860424 556932845 /nfs/dbraw/zinc/93/28/45/556932845.db2.gz LKTQEZCAZDREOQ-UHFFFAOYSA-N 0 0 439.298 6.553 50 0 IKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C(C)C)c1 ZINC000019866052 556934482 /nfs/dbraw/zinc/93/44/82/556934482.db2.gz PMNAVYFDXJEKIN-UHFFFAOYSA-N 0 0 442.669 5.563 50 0 IKAARN COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878857 556936029 /nfs/dbraw/zinc/93/60/29/556936029.db2.gz PMKFDJRFFOJJQT-URXFXBBRSA-N 0 0 436.870 5.240 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(Cl)cc2)cc1OC ZINC000019879713 556936423 /nfs/dbraw/zinc/93/64/23/556936423.db2.gz WMPBXJROCGQPSD-CJFMBICVSA-N 0 0 448.906 5.110 50 0 IKAARN CC(=O)Nc1sc2c(c1[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CCCC2 ZINC000019879453 556936487 /nfs/dbraw/zinc/93/64/87/556936487.db2.gz OPMZEWYQQIRNOK-FQEVSTJZSA-N 0 0 438.515 5.026 50 0 IKAARN CC(=O)Nc1sc2c(c1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CCCC2 ZINC000019879456 556936574 /nfs/dbraw/zinc/93/65/74/556936574.db2.gz OPMZEWYQQIRNOK-HXUWFJFHSA-N 0 0 438.515 5.026 50 0 IKAARN CCc1cc([C@@H](c2cccc(F)c2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880702 556937089 /nfs/dbraw/zinc/93/70/89/556937089.db2.gz MJAQOJALZGXRLN-HSZRJFAPSA-N 0 0 437.584 5.039 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000019893295 556939794 /nfs/dbraw/zinc/93/97/94/556939794.db2.gz GZYJBBTUDLJBBG-QPPBQGQZSA-N 0 0 437.326 6.054 50 0 IKAARN COc1ccc(CN2CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1Cl ZINC000019892710 556939839 /nfs/dbraw/zinc/93/98/39/556939839.db2.gz HLVZABPHOUIZPU-UHFFFAOYSA-N 0 0 434.967 5.016 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000019893697 556940026 /nfs/dbraw/zinc/94/00/26/556940026.db2.gz BIBZJKGBOKQILM-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN Clc1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000019893499 556940047 /nfs/dbraw/zinc/94/00/47/556940047.db2.gz XFNLXYCLRZTDIB-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1ccc(Br)cc1)O2 ZINC000019893552 556940076 /nfs/dbraw/zinc/94/00/76/556940076.db2.gz DDXKFBPRSRVTLC-YLJYHZDGSA-N 0 0 429.701 5.938 50 0 IKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NCCc1cccs1 ZINC000019894338 556940282 /nfs/dbraw/zinc/94/02/82/556940282.db2.gz SJQCZYIHEWDWCX-UHFFFAOYSA-N 0 0 429.372 6.186 50 0 IKAARN COc1ccc(CNC(=O)c2c(-c3ccc(Cl)cc3)c3cc(Cl)ccc3n2C)cc1 ZINC000019894322 556940349 /nfs/dbraw/zinc/94/03/49/556940349.db2.gz DYDSGUXSZWOEMM-UHFFFAOYSA-N 0 0 439.342 6.091 50 0 IKAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2cccs2)N(C)C)cc1 ZINC000019897859 556940840 /nfs/dbraw/zinc/94/08/40/556940840.db2.gz ZGGXVPBFIYZNBO-CVDCTZTESA-N 0 0 444.556 5.011 50 0 IKAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2cccs2)N(C)C)cc1 ZINC000019897861 556940973 /nfs/dbraw/zinc/94/09/73/556940973.db2.gz ZGGXVPBFIYZNBO-WMZHIEFXSA-N 0 0 444.556 5.011 50 0 IKAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2cccs2)N(C)C)cc1 ZINC000019897862 556940999 /nfs/dbraw/zinc/94/09/99/556940999.db2.gz ZGGXVPBFIYZNBO-AUSIDOKSSA-N 0 0 444.556 5.011 50 0 IKAARN CCc1cc2c(cc1OCc1ccccc1)oc(C)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000019898716 556941111 /nfs/dbraw/zinc/94/11/11/556941111.db2.gz NXEFDLQNQCFXJZ-UHFFFAOYSA-N 0 0 436.511 6.096 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019908592 556942627 /nfs/dbraw/zinc/94/26/27/556942627.db2.gz ZLAHWROHXQEFNB-UHSQPCAPSA-N 0 0 430.507 6.106 50 0 IKAARN O=c1ccccc2c(/C=C/c3cccc(C(F)(F)F)c3)nn(-c3ccc(Cl)cc3)c21 ZINC000019909729 556943096 /nfs/dbraw/zinc/94/30/96/556943096.db2.gz NPEPRBJIKPTLTB-MDWZMJQESA-N 0 0 426.825 6.228 50 0 IKAARN O=C(CSC1=NC(=Cc2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccc(F)cc1 ZINC000019912093 556943304 /nfs/dbraw/zinc/94/33/04/556943304.db2.gz RZUHOQDIUKHVIX-KGENOOAVSA-N 0 0 434.467 5.325 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019924581 556944509 /nfs/dbraw/zinc/94/45/09/556944509.db2.gz QXXFLKRMBGUMJP-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)cc1 ZINC000019926655 556944913 /nfs/dbraw/zinc/94/49/13/556944913.db2.gz HSXFRLNMCBMVDK-QFIPXVFZSA-N 0 0 445.544 5.520 50 0 IKAARN COc1cc([C@@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC ZINC000019926955 556945005 /nfs/dbraw/zinc/94/50/05/556945005.db2.gz TZMAXQNAFUBUFQ-DEOSSOPVSA-N 0 0 437.517 5.283 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCOCC2)c1C ZINC000019938406 556952281 /nfs/dbraw/zinc/95/22/81/556952281.db2.gz XFLUGLXYJDNKJQ-FQEVSTJZSA-N 0 0 430.957 5.285 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(Cl)c2)N2CCOCC2)c1C ZINC000019938410 556952719 /nfs/dbraw/zinc/95/27/19/556952719.db2.gz GNPURGMZPRJTLQ-FQEVSTJZSA-N 0 0 430.957 5.285 50 0 IKAARN CC(C)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019939878 556953280 /nfs/dbraw/zinc/95/32/80/556953280.db2.gz ARKAFNZJIJKQLP-UHFFFAOYSA-N 0 0 428.576 5.123 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cs2)cc1 ZINC000020005390 556958227 /nfs/dbraw/zinc/95/82/27/556958227.db2.gz MCOCQUNNFUSVHS-UHFFFAOYSA-N 0 0 430.558 5.676 50 0 IKAARN c1ccc(CCNc2ncnc3c2sc2nc(N4CCCCC4)c4c(c23)CCCC4)cc1 ZINC000020029236 556968125 /nfs/dbraw/zinc/96/81/25/556968125.db2.gz AZPZYFCQAKREES-UHFFFAOYSA-N 0 0 443.620 5.763 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1c(Cl)cccc1Cl ZINC000020031821 556969181 /nfs/dbraw/zinc/96/91/81/556969181.db2.gz LIDRWRSJHSWXRY-UHFFFAOYSA-N 0 0 437.779 7.583 50 0 IKAARN C[C@H]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)c2cc(C(F)(F)F)ccc2S1 ZINC000071972962 556969197 /nfs/dbraw/zinc/96/91/97/556969197.db2.gz WINMCWSZZGIIIZ-ZDUSSCGKSA-N 0 0 449.523 5.684 50 0 IKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000033263813 556972047 /nfs/dbraw/zinc/97/20/47/556972047.db2.gz ROAFIQULGAPRJT-UHFFFAOYSA-N 0 0 433.943 5.580 50 0 IKAARN Fc1ccc(-c2ccc(Cc3cc(I)ccc3Cl)s2)cn1 ZINC000072482115 556973639 /nfs/dbraw/zinc/97/36/39/556973639.db2.gz QMWRODWMUFMTIX-UHFFFAOYSA-N 0 0 429.685 5.798 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccsc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020058910 556975380 /nfs/dbraw/zinc/97/53/80/556975380.db2.gz COHPOYDSHRYTHU-OPAMFIHVSA-N 0 0 431.517 5.577 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000033265375 556975522 /nfs/dbraw/zinc/97/55/22/556975522.db2.gz JRHMHASMEANIKM-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020058992 556975582 /nfs/dbraw/zinc/97/55/82/556975582.db2.gz MFEDTFBAOZQMPM-XDHUDOTRSA-N 0 0 441.487 5.221 50 0 IKAARN COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)c1 ZINC000033265494 556976182 /nfs/dbraw/zinc/97/61/82/556976182.db2.gz XHRHICGHKBJKRH-HSZRJFAPSA-N 0 0 435.593 6.171 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C(=O)OC)cc1)CCCC3 ZINC000033265535 556976198 /nfs/dbraw/zinc/97/61/98/556976198.db2.gz UJBXTQBDTAYNSF-FQEVSTJZSA-N 0 0 449.576 5.703 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C ZINC000004728957 556976336 /nfs/dbraw/zinc/97/63/36/556976336.db2.gz GYHADYZNGBHRSR-PNLZDCPESA-N 0 0 428.548 5.110 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4c(C)c(C)cc(C)c4C)cc3)sc2c1 ZINC000013948075 556976394 /nfs/dbraw/zinc/97/63/94/556976394.db2.gz VYAFIGYPGAIXSO-UHFFFAOYSA-N 0 0 436.602 6.306 50 0 IKAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 ZINC000060614136 556977376 /nfs/dbraw/zinc/97/73/76/556977376.db2.gz RHXIOUPFWSUEBZ-TZMCWYRMSA-N 0 0 443.263 5.487 50 0 IKAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc3ccccc3n2)nc1C ZINC000011231941 556978046 /nfs/dbraw/zinc/97/80/46/556978046.db2.gz DLMSARWRNKKLLD-UHFFFAOYSA-N 0 0 431.517 5.023 50 0 IKAARN CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000020085942 556979008 /nfs/dbraw/zinc/97/90/08/556979008.db2.gz BYYWEIYBQNVJNG-YWJFVFATSA-N 0 0 436.502 6.028 50 0 IKAARN O[C@H]1CCCN(C(=S)Sc2c3ccccc3[nH]c2-c2ccc(Br)cc2)C1 ZINC000020095027 556979206 /nfs/dbraw/zinc/97/92/06/556979206.db2.gz WZJLQKFLRSLSNT-HNNXBMFYSA-N 0 0 447.423 5.431 50 0 IKAARN CCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000033267098 556979798 /nfs/dbraw/zinc/97/97/98/556979798.db2.gz NKVZAOXVTUOOHQ-VWLOTQADSA-N 0 0 439.563 5.304 50 0 IKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267197 556979838 /nfs/dbraw/zinc/97/98/38/556979838.db2.gz WSWFOMPWHWKRFF-UHFFFAOYSA-N 0 0 429.479 5.780 50 0 IKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1)Nc1ccc(Br)cc1 ZINC000033267720 556982127 /nfs/dbraw/zinc/98/21/27/556982127.db2.gz KRGDFIJABCAEBU-LJQANCHMSA-N 0 0 435.325 5.279 50 0 IKAARN COc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1OC ZINC000033267742 556982135 /nfs/dbraw/zinc/98/21/35/556982135.db2.gz AXWIUHJCLCFCHE-HXUWFJFHSA-N 0 0 433.483 5.278 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2cc(C)ccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000033267760 556982153 /nfs/dbraw/zinc/98/21/53/556982153.db2.gz ZAOUMKFNURNKPB-NRFANRHFSA-N 0 0 443.547 5.756 50 0 IKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000033267652 556982195 /nfs/dbraw/zinc/98/21/95/556982195.db2.gz VMDSQGQFRLFIBY-ZFGQVMFLSA-N 0 0 433.621 6.039 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4Cl)o3)n2)cc1 ZINC000033268063 556982357 /nfs/dbraw/zinc/98/23/57/556982357.db2.gz GFYFLJLPQYPWJD-UHFFFAOYSA-N 0 0 428.897 5.073 50 0 IKAARN CCc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(OC)cc4)cnn32)cc1 ZINC000033269014 556987076 /nfs/dbraw/zinc/98/70/76/556987076.db2.gz WYXKOOUMHVPZTK-UHFFFAOYSA-N 0 0 432.549 5.007 50 0 IKAARN CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000097105022 556987617 /nfs/dbraw/zinc/98/76/17/556987617.db2.gz SNSLVNWGPKLIME-QHCPKHFHSA-N 0 0 440.503 5.229 50 0 IKAARN Cc1cccc(N2CCN([C@H](c3nnc(-c4ccccc4F)o3)c3ccccc3)CC2)c1C ZINC000020178554 556995707 /nfs/dbraw/zinc/99/57/07/556995707.db2.gz WQHANZFTIDBCLA-VWLOTQADSA-N 0 0 442.538 5.404 50 0 IKAARN Cc1ccc(C)c(N2CCN([C@H](c3nnc(-c4ccccc4F)o3)c3ccccc3)CC2)c1 ZINC000020178558 556995755 /nfs/dbraw/zinc/99/57/55/556995755.db2.gz IWRQLJFTIUYNSZ-VWLOTQADSA-N 0 0 442.538 5.404 50 0 IKAARN CSc1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cn1 ZINC000020212550 556998903 /nfs/dbraw/zinc/99/89/03/556998903.db2.gz AJPZGOMKEAIFOY-UHFFFAOYSA-N 0 0 432.593 5.025 50 0 IKAARN CCc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020213696 556999285 /nfs/dbraw/zinc/99/92/85/556999285.db2.gz VWVRRUYDGIAYCW-OAQYLSRUSA-N 0 0 432.911 5.864 50 0 IKAARN CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccc(OC)cc2)cc1 ZINC000023109730 557003100 /nfs/dbraw/zinc/00/31/00/557003100.db2.gz ATMDCTDMAHXXAB-UHFFFAOYSA-N 0 0 432.545 5.251 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)c2ccoc2C)c1 ZINC000020296010 557006325 /nfs/dbraw/zinc/00/63/25/557006325.db2.gz MAXLXFSSOLYCRP-UZINWLIJSA-N 0 0 447.531 6.003 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc(-c4cccc(OC)c4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000023126196 557007928 /nfs/dbraw/zinc/00/79/28/557007928.db2.gz WWEHHOCSISHGMY-UHFFFAOYSA-N 0 0 449.532 5.512 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)CN(C)CC3 ZINC000020328632 557008106 /nfs/dbraw/zinc/00/81/06/557008106.db2.gz SJWBZHSVVNOCEB-UHFFFAOYSA-N 0 0 440.421 5.065 50 0 IKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 ZINC000006143772 557008573 /nfs/dbraw/zinc/00/85/73/557008573.db2.gz CASCMYNUYUZFEF-UHFFFAOYSA-N 0 0 425.706 6.596 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccccc3C)c3ccccc3S2)cc1 ZINC000020355828 557009665 /nfs/dbraw/zinc/00/96/65/557009665.db2.gz SOASLCGEDWLVEV-HSZRJFAPSA-N 0 0 432.545 5.212 50 0 IKAARN COc1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)ccc1N1CCCC1=O ZINC000011259096 557010090 /nfs/dbraw/zinc/01/00/90/557010090.db2.gz QKWWSHVIHXGSLJ-DEOSSOPVSA-N 0 0 432.545 5.294 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ccc(C)cc2Cl)c1C ZINC000020356132 557010260 /nfs/dbraw/zinc/01/02/60/557010260.db2.gz LIRNHQAKKZVXOW-UHFFFAOYSA-N 0 0 438.955 5.939 50 0 IKAARN C[C@@H]1CCCCN1c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020357903 557011307 /nfs/dbraw/zinc/01/13/07/557011307.db2.gz MARBSGDQHNVKPY-OAHLLOKOSA-N 0 0 437.613 5.070 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C ZINC000023127025 557011599 /nfs/dbraw/zinc/01/15/99/557011599.db2.gz SGLKEEJWUJXJTB-UHFFFAOYSA-N 0 0 449.601 5.264 50 0 IKAARN Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)n1 ZINC000023126896 557011602 /nfs/dbraw/zinc/01/16/02/557011602.db2.gz ZKLPNMDDILDHPE-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN Cc1ccc(-c2noc(CSc3nc4cc(-c5ccccc5)sc4c(=O)n3C)n2)cc1 ZINC000023127071 557011821 /nfs/dbraw/zinc/01/18/21/557011821.db2.gz WCLZAWDMDPYXJH-UHFFFAOYSA-N 0 0 446.557 5.313 50 0 IKAARN Cc1oc(-c2ccccc2)nc1COC(=O)/C=C\c1cc(Cl)c2c(c1)OCCCO2 ZINC000098002499 557012297 /nfs/dbraw/zinc/01/22/97/557012297.db2.gz PCCRUXCNVGXWBZ-HJWRWDBZSA-N 0 0 425.868 5.221 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)/C=C\c2cccc(OCc3csc(C)n3)c2)cc1F ZINC000098002870 557012466 /nfs/dbraw/zinc/01/24/66/557012466.db2.gz VYWVCYQNTYMRDH-YYRKOSNBSA-N 0 0 426.513 5.069 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020385942 557012486 /nfs/dbraw/zinc/01/24/86/557012486.db2.gz SYVZUKRZSBIRIE-UHFFFAOYSA-N 0 0 432.273 5.362 50 0 IKAARN COc1cc(NC(=O)/C=C\c2cccc(OCc3csc(C)n3)c2)c(OC)cc1Cl ZINC000098002822 557012530 /nfs/dbraw/zinc/01/25/30/557012530.db2.gz YNVVNNRDUDOEAD-FPLPWBNLSA-N 0 0 444.940 5.353 50 0 IKAARN COc1ccc(NC(=O)c2ccc(COC(=O)/C=C\c3cccc4cccnc34)cc2)cc1 ZINC000098003362 557012537 /nfs/dbraw/zinc/01/25/37/557012537.db2.gz WDZBGDYQCMVTRG-WJDWOHSUSA-N 0 0 438.483 5.252 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(CCc1ccccc1F)C3 ZINC000020412256 557013980 /nfs/dbraw/zinc/01/39/80/557013980.db2.gz KZDOTWWAJFXLPD-UHFFFAOYSA-N 0 0 443.518 5.534 50 0 IKAARN CCc1cccc(C)c1NC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020412715 557014119 /nfs/dbraw/zinc/01/41/19/557014119.db2.gz GAPLAZKPARBKKM-UHFFFAOYSA-N 0 0 440.897 5.369 50 0 IKAARN CCc1cccc(C)c1NC(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020412724 557014142 /nfs/dbraw/zinc/01/41/42/557014142.db2.gz OPPVWODSOCUKAU-UHFFFAOYSA-N 0 0 440.897 5.415 50 0 IKAARN CCn1c2cc(NC(=O)Nc3cc(Cl)ccc3C)c(N3CCCC3)cc2n(CC)c1=O ZINC000045994425 557014607 /nfs/dbraw/zinc/01/46/07/557014607.db2.gz AFDZERNIODWISX-UHFFFAOYSA-N 0 0 441.963 5.049 50 0 IKAARN Cc1cccc2c(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc(-c3cccnc3)nc12 ZINC000020418348 557014774 /nfs/dbraw/zinc/01/47/74/557014774.db2.gz IMRFOKUCNYWSSP-YRNVUSSQSA-N 0 0 448.570 5.076 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccc(C(F)(F)F)cn2)c2ccccc2)c1 ZINC000011266013 557014814 /nfs/dbraw/zinc/01/48/14/557014814.db2.gz FFMFEASFSNTAFF-FQEVSTJZSA-N 0 0 430.451 5.775 50 0 IKAARN CC1(C)COP(=O)([C@H](Nc2ccc(Br)cc2)c2ccc(O)cc2)OC1 ZINC000003110449 557015250 /nfs/dbraw/zinc/01/52/50/557015250.db2.gz YEZJMZFHRAPEEI-KRWDZBQOSA-N 0 0 426.247 5.532 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3cccc(F)c3)cc(C(F)(F)F)c12 ZINC000045995549 557015437 /nfs/dbraw/zinc/01/54/37/557015437.db2.gz RKPCXSHNOLKRBS-UHFFFAOYSA-N 0 0 449.835 6.428 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCc2cccc(C(F)(F)F)c2)cc3C)cc1 ZINC000045995593 557015446 /nfs/dbraw/zinc/01/54/46/557015446.db2.gz PQCJKYLUBAYQCL-UHFFFAOYSA-N 0 0 425.454 6.198 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3ccc(Br)cc3F)cc(C)c12 ZINC000045995544 557015463 /nfs/dbraw/zinc/01/54/63/557015463.db2.gz TUQWLMDINVKWPY-UHFFFAOYSA-N 0 0 440.316 5.826 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3ccncc3)cc(C(F)(F)F)c12 ZINC000045995557 557015495 /nfs/dbraw/zinc/01/54/95/557015495.db2.gz ZJNMUTSHXGYJIQ-UHFFFAOYSA-N 0 0 432.833 5.684 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2cccc(Cl)c2C)cc3C)cc1 ZINC000045990677 557016426 /nfs/dbraw/zinc/01/64/26/557016426.db2.gz YHOGGDIJXSQYGF-UHFFFAOYSA-N 0 0 448.954 5.579 50 0 IKAARN CCc1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccc(CC)cc4)c3n2)cc1 ZINC000045990643 557016429 /nfs/dbraw/zinc/01/64/29/557016429.db2.gz KYNYMUVOXGAQJI-UHFFFAOYSA-N 0 0 428.536 5.180 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2c(C)cccc2CC)cc3C)cc1 ZINC000045990706 557016461 /nfs/dbraw/zinc/01/64/61/557016461.db2.gz DJXMXHOUGAHMHA-UHFFFAOYSA-N 0 0 442.563 5.488 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)Nc3cccc(Cl)c3C)cc(C)c12 ZINC000045990978 557016722 /nfs/dbraw/zinc/01/67/22/557016722.db2.gz VEZPFNVEEBWBEF-UHFFFAOYSA-N 0 0 438.890 5.156 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)Nc3ccc(C)cc3Cl)cc(C)c12 ZINC000045990995 557016803 /nfs/dbraw/zinc/01/68/03/557016803.db2.gz DDJOQOPVTQLJHS-UHFFFAOYSA-N 0 0 438.890 5.156 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)cc(C)c12 ZINC000045991750 557017388 /nfs/dbraw/zinc/01/73/88/557017388.db2.gz UROZODJPKZOQTF-KRWDZBQOSA-N 0 0 434.927 5.405 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1ccc(C)cc1C)cc2-c1ccccc1 ZINC000045992335 557017978 /nfs/dbraw/zinc/01/79/78/557017978.db2.gz DAWSNJUBVFEUIE-IBGZPJMESA-N 0 0 428.536 5.449 50 0 IKAARN CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000046012168 557018402 /nfs/dbraw/zinc/01/84/02/557018402.db2.gz QMNCZNGRHADVEN-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2cccc(C)c2)no1 ZINC000046012091 557018564 /nfs/dbraw/zinc/01/85/64/557018564.db2.gz DBPJKNUNEAATMN-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)c1 ZINC000046012322 557018764 /nfs/dbraw/zinc/01/87/64/557018764.db2.gz QTMMLFKEUGLWND-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000046012243 557018847 /nfs/dbraw/zinc/01/88/47/557018847.db2.gz MZAAZOWRUMIZRB-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccc(Cl)cc3)cc(=O)n2o1 ZINC000046012551 557018876 /nfs/dbraw/zinc/01/88/76/557018876.db2.gz NDTNXQIHOKJINV-UHFFFAOYSA-N 0 0 440.912 5.186 50 0 IKAARN CCOc1ccccc1NC(=O)COc1cc(CC)c2c(C)nn(-c3ccc(C)cc3)c2n1 ZINC000046017009 557020157 /nfs/dbraw/zinc/02/01/57/557020157.db2.gz BMJGXMDBAOZROV-UHFFFAOYSA-N 0 0 444.535 5.016 50 0 IKAARN CCc1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017094 557020170 /nfs/dbraw/zinc/02/01/70/557020170.db2.gz DONKNWMZMYNONN-UHFFFAOYSA-N 0 0 448.954 5.579 50 0 IKAARN CCc1cccc(NC(=O)COc2cc(CC)c3c(C)nn(-c4ccc(C)cc4)c3n2)c1 ZINC000046017030 557020181 /nfs/dbraw/zinc/02/01/81/557020181.db2.gz NMJFGERGNCCJON-UHFFFAOYSA-N 0 0 428.536 5.180 50 0 IKAARN CC(C)CCOc1ccc(C(=O)Oc2ccc(C(=O)OCCOc3ccccc3)cc2)cc1 ZINC000010715340 557020395 /nfs/dbraw/zinc/02/03/95/557020395.db2.gz IDCZOAMCAMGGPB-UHFFFAOYSA-N 0 0 448.515 5.567 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C)c3ccc(OC(F)(F)F)cc3)o2)cc1OC ZINC000072031331 557021745 /nfs/dbraw/zinc/02/17/45/557021745.db2.gz BHNNZKRIJPDRDI-NSHDSACASA-N 0 0 426.416 5.506 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)NCc1ccc(F)cc1 ZINC000046022212 557021943 /nfs/dbraw/zinc/02/19/43/557021943.db2.gz ZDBRRTINPJAHLE-UHFFFAOYSA-N 0 0 429.586 5.189 50 0 IKAARN COc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1 ZINC000046022255 557021991 /nfs/dbraw/zinc/02/19/91/557021991.db2.gz MYWDBHTWGVOWJG-UHFFFAOYSA-N 0 0 427.595 5.380 50 0 IKAARN CCc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1 ZINC000046022261 557022009 /nfs/dbraw/zinc/02/20/09/557022009.db2.gz LAFVNQSJTSHUEV-UHFFFAOYSA-N 0 0 425.623 5.934 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1Cl ZINC000046022338 557022013 /nfs/dbraw/zinc/02/20/13/557022013.db2.gz BGPWYKSZPZZIFN-UHFFFAOYSA-N 0 0 448.013 5.644 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1C ZINC000046022306 557022049 /nfs/dbraw/zinc/02/20/49/557022049.db2.gz GQQYFUUKQSBNIW-UHFFFAOYSA-N 0 0 425.623 5.989 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 ZINC000046022406 557022180 /nfs/dbraw/zinc/02/21/80/557022180.db2.gz AVQLYTUQTMPCII-UHFFFAOYSA-N 0 0 425.623 5.989 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1 ZINC000046022441 557022187 /nfs/dbraw/zinc/02/21/87/557022187.db2.gz XXPFXPKVOYKTDK-UHFFFAOYSA-N 0 0 425.623 5.989 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1ccc(F)cc1F ZINC000046022412 557022307 /nfs/dbraw/zinc/02/23/07/557022307.db2.gz WBCZTECDMGXULI-UHFFFAOYSA-N 0 0 433.549 5.650 50 0 IKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(Br)cc5)n3n2)CCC4)cc1 ZINC000046023036 557022861 /nfs/dbraw/zinc/02/28/61/557022861.db2.gz XPDOKZBJFCHLDG-UHFFFAOYSA-N 0 0 434.341 5.018 50 0 IKAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)Nc1nc2c(cccc2C)s1 ZINC000043220809 557023236 /nfs/dbraw/zinc/02/32/36/557023236.db2.gz VKTUFFZDSMCZFO-UHFFFAOYSA-N 0 0 443.981 6.163 50 0 IKAARN Cc1cccc(N[C@H](c2ccsc2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)n1 ZINC000043220776 557023398 /nfs/dbraw/zinc/02/33/98/557023398.db2.gz RRJZFMCSUOIQEL-JOCHJYFZSA-N 0 0 449.601 6.439 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 ZINC000010748067 557023678 /nfs/dbraw/zinc/02/36/78/557023678.db2.gz QOIIVVORVWMCSP-UHFFFAOYSA-N 0 0 436.533 6.386 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)CCSc4ccc(Cl)cc4)n3)oc21 ZINC000010748753 557023936 /nfs/dbraw/zinc/02/39/36/557023936.db2.gz OFFAIOQFRNMMGY-UHFFFAOYSA-N 0 0 444.965 6.339 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(-c5ccccc5)cc4)n3)oc21 ZINC000010749369 557024086 /nfs/dbraw/zinc/02/40/86/557024086.db2.gz YMSHSCPHTOVMDU-UHFFFAOYSA-N 0 0 440.524 6.874 50 0 IKAARN CCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032540 557025048 /nfs/dbraw/zinc/02/50/48/557025048.db2.gz MAHQELQUGTYEFY-UHFFFAOYSA-N 0 0 432.593 5.039 50 0 IKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000046044990 557025454 /nfs/dbraw/zinc/02/54/54/557025454.db2.gz QVFXLLKZRWDGGQ-LJQANCHMSA-N 0 0 440.465 5.278 50 0 IKAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(Cc3c(F)cccc3Cl)c2n1 ZINC000046053752 557027017 /nfs/dbraw/zinc/02/70/17/557027017.db2.gz DXWKRRVGCZLBJN-UHFFFAOYSA-N 0 0 441.289 5.430 50 0 IKAARN Cc1ccc(C(=O)c2cn(Cc3ccc(F)cc3Cl)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053808 557027113 /nfs/dbraw/zinc/02/71/13/557027113.db2.gz AXJIFBCVQBVDJG-UHFFFAOYSA-N 0 0 434.898 5.394 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](CC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032944755 557027684 /nfs/dbraw/zinc/02/76/84/557027684.db2.gz QBCGYTJMIODUBP-SFHVURJKSA-N 0 0 445.485 5.493 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nn5cnnc5s4)cc3)o2)cc1Cl ZINC000046056263 557028340 /nfs/dbraw/zinc/02/83/40/557028340.db2.gz KGGISEVZFOBHCU-UHFFFAOYSA-N 0 0 449.923 5.005 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046056851 557028448 /nfs/dbraw/zinc/02/84/48/557028448.db2.gz YZVWHVLHCUFSPR-XMMPIXPASA-N 0 0 441.575 6.154 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CCCCC4)cc3c2)cc1 ZINC000046058591 557029391 /nfs/dbraw/zinc/02/93/91/557029391.db2.gz MEGZIIMLJWXMGF-UHFFFAOYSA-N 0 0 442.606 5.097 50 0 IKAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010811443 557029523 /nfs/dbraw/zinc/02/95/23/557029523.db2.gz JCGYABHSPXRTDM-UHFFFAOYSA-N 0 0 425.847 5.038 50 0 IKAARN O=C(Nc1c(F)cc(Br)cc1Cl)c1cccc(OC[C@H]2CCCO2)c1 ZINC000408516090 557030293 /nfs/dbraw/zinc/03/02/93/557030293.db2.gz MZGVSERZINLHMO-CQSZACIVSA-N 0 0 428.685 5.052 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1Br ZINC000046076989 557032657 /nfs/dbraw/zinc/03/26/57/557032657.db2.gz VZKSOSUEZGMCGY-AWEZNQCLSA-N 0 0 432.314 5.799 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OCC ZINC000046076628 557032717 /nfs/dbraw/zinc/03/27/17/557032717.db2.gz YEHGTZWNWJVSFQ-KRWDZBQOSA-N 0 0 425.525 6.216 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2ccc(C)cc2NC3=O)cc1 ZINC000046077483 557033072 /nfs/dbraw/zinc/03/30/72/557033072.db2.gz JJDFVLMFFLBPJC-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 ZINC000046077647 557033293 /nfs/dbraw/zinc/03/32/93/557033293.db2.gz WBTUGVQNDPYDAA-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078433 557033556 /nfs/dbraw/zinc/03/35/56/557033556.db2.gz SQQYPTKTCAZYMB-UHFFFAOYSA-N 0 0 435.321 5.294 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1Cl ZINC000046079011 557033847 /nfs/dbraw/zinc/03/38/47/557033847.db2.gz KNVWMAZPTNHQBT-UHFFFAOYSA-N 0 0 438.886 5.333 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)C2=O)cc1 ZINC000046079463 557034402 /nfs/dbraw/zinc/03/44/02/557034402.db2.gz QLPZNJSKZZMKDT-UHFFFAOYSA-N 0 0 439.559 5.026 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)N4CCc5ccccc54)cc3)C2=O)cc1 ZINC000046079457 557034415 /nfs/dbraw/zinc/03/44/15/557034415.db2.gz WMIHFRLOEZORKH-UHFFFAOYSA-N 0 0 425.532 5.030 50 0 IKAARN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000046079576 557034661 /nfs/dbraw/zinc/03/46/61/557034661.db2.gz GSUIDNPODRAFRZ-UHFFFAOYSA-N 0 0 445.494 5.113 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000046079642 557034692 /nfs/dbraw/zinc/03/46/92/557034692.db2.gz FJRBYDPLFCZRIQ-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN COc1ccc2oc(C)c(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)c2c1 ZINC000046086824 557035889 /nfs/dbraw/zinc/03/58/89/557035889.db2.gz QNLWPLAIOLJURT-UHFFFAOYSA-N 0 0 443.430 6.118 50 0 IKAARN COc1ccc2oc(C)c(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)cc3)c2c1 ZINC000046086535 557035903 /nfs/dbraw/zinc/03/59/03/557035903.db2.gz DUVYPFNYYAUZHF-UHFFFAOYSA-N 0 0 439.467 6.288 50 0 IKAARN CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000017196565 557039899 /nfs/dbraw/zinc/03/98/99/557039899.db2.gz DSCCTLQRRFTYSE-QHCPKHFHSA-N 0 0 439.968 5.045 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000017201241 557041049 /nfs/dbraw/zinc/04/10/49/557041049.db2.gz OEEVBPFGDRXUTB-UHFFFAOYSA-N 0 0 448.569 5.927 50 0 IKAARN O=C(CSC1=NCCS1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000010863227 557043196 /nfs/dbraw/zinc/04/31/96/557043196.db2.gz RZCWCMWZLYNHTR-UHFFFAOYSA-N 0 0 435.058 5.473 50 0 IKAARN C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)c3n2)C1 ZINC000017245583 557044417 /nfs/dbraw/zinc/04/44/17/557044417.db2.gz RBGNQCOCBYDSDG-MRXNPFEDSA-N 0 0 443.469 5.507 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O ZINC000051357457 557045025 /nfs/dbraw/zinc/04/50/25/557045025.db2.gz NLZOOMJVMFHXJO-UHFFFAOYSA-N 0 0 436.364 5.090 50 0 IKAARN CCN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000017288798 557045627 /nfs/dbraw/zinc/04/56/27/557045627.db2.gz AIPNKSNMEXCKPX-UHFFFAOYSA-N 0 0 425.604 5.717 50 0 IKAARN O=c1[nH]c(SCc2cccc(F)c2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948330 557045952 /nfs/dbraw/zinc/04/59/52/557045952.db2.gz CDIDQQDTECPNLI-UHFFFAOYSA-N 0 0 435.958 5.590 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000048235006 557046467 /nfs/dbraw/zinc/04/64/67/557046467.db2.gz FSHWYWDTNDJWNA-NRFANRHFSA-N 0 0 428.410 5.147 50 0 IKAARN CCCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)no1 ZINC000033269789 557047275 /nfs/dbraw/zinc/04/72/75/557047275.db2.gz LEAKUNDJGDCPPZ-SFHVURJKSA-N 0 0 430.302 5.022 50 0 IKAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4cccc(Cl)c4C)n3)nc2c1 ZINC000033270718 557047344 /nfs/dbraw/zinc/04/73/44/557047344.db2.gz RKVPAXCJGKMNML-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CCCCC2 ZINC000017297558 557047402 /nfs/dbraw/zinc/04/74/02/557047402.db2.gz KSQFCHUKEWKOLN-UHFFFAOYSA-N 0 0 435.545 6.238 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc3cc(C)c(C)cc3[nH]2)no1 ZINC000033271015 557048518 /nfs/dbraw/zinc/04/85/18/557048518.db2.gz ASLCAADGKSNBEU-UHFFFAOYSA-N 0 0 435.553 5.043 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4[nH]3)no2)c(C)c1 ZINC000033270997 557048616 /nfs/dbraw/zinc/04/86/16/557048616.db2.gz KRBGBJWFQKSGDM-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN Cc1cc2nc(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4)n3)[nH]c2cc1C ZINC000033271012 557048674 /nfs/dbraw/zinc/04/86/74/557048674.db2.gz PSWQEUCVDCYNHF-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN CCc1cc2c(CSc3nnc(-c4cccs4)n3C3CC3)cc(=O)oc2cc1O ZINC000017271357 557049116 /nfs/dbraw/zinc/04/91/16/557049116.db2.gz RFCINWAFNVVTJV-UHFFFAOYSA-N 0 0 425.535 5.008 50 0 IKAARN CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)c1 ZINC000033271651 557049771 /nfs/dbraw/zinc/04/97/71/557049771.db2.gz GHXRRBWUEXFZRI-GOSISDBHSA-N 0 0 448.548 5.062 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3OCC)sc2c1 ZINC000033271676 557049830 /nfs/dbraw/zinc/04/98/30/557049830.db2.gz NGXPVUQMONICGV-QGZVFWFLSA-N 0 0 448.548 5.062 50 0 IKAARN Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271997 557050843 /nfs/dbraw/zinc/05/08/43/557050843.db2.gz DFDBZQDZHSLAGR-UHFFFAOYSA-N 0 0 446.450 5.072 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000048271969 557050812 /nfs/dbraw/zinc/05/08/12/557050812.db2.gz UVQJJHNEQJOKEH-UHFFFAOYSA-N 0 0 429.499 5.271 50 0 IKAARN Cc1cc(C(=O)Nc2cccc3ccccc32)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271987 557050899 /nfs/dbraw/zinc/05/08/99/557050899.db2.gz VMVSJRSZAMIBOC-UHFFFAOYSA-N 0 0 428.513 5.206 50 0 IKAARN CCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1OCC ZINC000017315466 557053471 /nfs/dbraw/zinc/05/34/71/557053471.db2.gz CBQYTCQMSAYCRO-UHFFFAOYSA-N 0 0 430.957 5.233 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C[C@@H](C(C)(C)C)CC2)cc1 ZINC000004735791 557053847 /nfs/dbraw/zinc/05/38/47/557053847.db2.gz FEYIPQTWVVBIQP-INIZCTEOSA-N 0 0 427.566 5.702 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cccc(C)c2C)cc1 ZINC000033275956 557054783 /nfs/dbraw/zinc/05/47/83/557054783.db2.gz UUORDUSTNPLZJT-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)n2nc(C)nc2n1 ZINC000033276019 557054983 /nfs/dbraw/zinc/05/49/83/557054983.db2.gz UBOPMJZGODKLDB-UHFFFAOYSA-N 0 0 436.516 5.238 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(OCC)cc3)cc2)n2ncnc2n1 ZINC000033275983 557055082 /nfs/dbraw/zinc/05/50/82/557055082.db2.gz HPJSCNGQZLOYCK-UHFFFAOYSA-N 0 0 448.552 5.271 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n2nc(C)nc2n1 ZINC000033276000 557055119 /nfs/dbraw/zinc/05/51/19/557055119.db2.gz YGVBTNPKJZHXKQ-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3ccc(Cl)nc3)[C@@H]2c2cccs2)cc1 ZINC000022966428 557055209 /nfs/dbraw/zinc/05/52/09/557055209.db2.gz OPDZZPYVVMCCRZ-XMSQKQJNSA-N 0 0 440.952 5.333 50 0 IKAARN CCOc1ccccc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000048290810 557055316 /nfs/dbraw/zinc/05/53/16/557055316.db2.gz XOCFZXKTCDXVQX-UHFFFAOYSA-N 0 0 440.341 5.165 50 0 IKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000048290962 557055438 /nfs/dbraw/zinc/05/54/38/557055438.db2.gz XSKNEDRFYCKZQJ-QGZVFWFLSA-N 0 0 441.988 5.067 50 0 IKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000048290963 557055841 /nfs/dbraw/zinc/05/58/41/557055841.db2.gz XSKNEDRFYCKZQJ-KRWDZBQOSA-N 0 0 441.988 5.067 50 0 IKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12 ZINC000048277596 557056822 /nfs/dbraw/zinc/05/68/22/557056822.db2.gz HCAFZQHMOGSNDC-UHFFFAOYSA-N 0 0 444.878 5.687 50 0 IKAARN CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316841 557057280 /nfs/dbraw/zinc/05/72/80/557057280.db2.gz SEHSZPALJUIDTP-IBGZPJMESA-N 0 0 439.972 5.280 50 0 IKAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000017316740 557057293 /nfs/dbraw/zinc/05/72/93/557057293.db2.gz PVGCHEDJLVWQAY-UHFFFAOYSA-N 0 0 447.390 5.224 50 0 IKAARN COc1ccc2cc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c(C)nc2c1 ZINC000023012050 557057505 /nfs/dbraw/zinc/05/75/05/557057505.db2.gz QCSCNGGMAMOASN-UHFFFAOYSA-N 0 0 426.476 5.448 50 0 IKAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000032948719 557057824 /nfs/dbraw/zinc/05/78/24/557057824.db2.gz GFJWCNXINVZNDY-HXUWFJFHSA-N 0 0 438.911 5.053 50 0 IKAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000032948716 557057881 /nfs/dbraw/zinc/05/78/81/557057881.db2.gz GFJWCNXINVZNDY-FQEVSTJZSA-N 0 0 438.911 5.053 50 0 IKAARN Cc1ccc(-n2ccnc2SCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000033278092 557058469 /nfs/dbraw/zinc/05/84/69/557058469.db2.gz XHKZBJACIVCPHY-UHFFFAOYSA-N 0 0 427.327 5.286 50 0 IKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000033278203 557060130 /nfs/dbraw/zinc/06/01/30/557060130.db2.gz MVIMYIAVLQNZFX-UHFFFAOYSA-N 0 0 446.519 6.456 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000048310189 557060253 /nfs/dbraw/zinc/06/02/53/557060253.db2.gz RFHMXHPIFZBFLU-UHFFFAOYSA-N 0 0 428.941 5.034 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc2nc(-c3ccc(C)cc3)cc(OCC)c2c1 ZINC000033278517 557060381 /nfs/dbraw/zinc/06/03/81/557060381.db2.gz UEOKVCOTVXVLHZ-UHFFFAOYSA-N 0 0 441.531 6.652 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc21 ZINC000033278669 557060398 /nfs/dbraw/zinc/06/03/98/557060398.db2.gz WNDVOHDUFBHBLK-UHFFFAOYSA-N 0 0 431.923 6.276 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000033278673 557060429 /nfs/dbraw/zinc/06/04/29/557060429.db2.gz OPWGYBTUJZFATK-UHFFFAOYSA-N 0 0 431.923 6.906 50 0 IKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000033278658 557060460 /nfs/dbraw/zinc/06/04/60/557060460.db2.gz IAXLSYDRBLHHKS-UHFFFAOYSA-N 0 0 435.886 6.655 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(OC)c2c1 ZINC000033278664 557060464 /nfs/dbraw/zinc/06/04/64/557060464.db2.gz ISTCJARFNMPNRH-UHFFFAOYSA-N 0 0 447.922 6.525 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000033278603 557060496 /nfs/dbraw/zinc/06/04/96/557060496.db2.gz PQJORWADLPOBRM-UHFFFAOYSA-N 0 0 445.450 5.812 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 ZINC000033278677 557060689 /nfs/dbraw/zinc/06/06/89/557060689.db2.gz OBJJJVQUGGZGEQ-UHFFFAOYSA-N 0 0 449.913 6.415 50 0 IKAARN Cc1sc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000033278862 557060817 /nfs/dbraw/zinc/06/08/17/557060817.db2.gz OVVCUVCDGWBNDR-UHFFFAOYSA-N 0 0 447.409 5.180 50 0 IKAARN COc1cc(-c2cccc(C)c2)nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc21 ZINC000033278731 557060842 /nfs/dbraw/zinc/06/08/42/557060842.db2.gz FNELSMDFMRXDJO-UHFFFAOYSA-N 0 0 441.487 5.634 50 0 IKAARN COc1cc(Br)c(CC(=O)Nc2ccccc2Cc2ccccc2)cc1OC ZINC000017339174 557060977 /nfs/dbraw/zinc/06/09/77/557060977.db2.gz WWPKIYHUKAXWGZ-UHFFFAOYSA-N 0 0 440.337 5.238 50 0 IKAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000023079910 557062458 /nfs/dbraw/zinc/06/24/58/557062458.db2.gz KCYAXJYAFVMEHP-HZHRSRAPSA-N 0 0 448.469 5.360 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3c(C)cccc3C)nc(N3CCCC3)c12 ZINC000033279945 557062486 /nfs/dbraw/zinc/06/24/86/557062486.db2.gz AIEHWNLEXXLTFI-UHFFFAOYSA-N 0 0 439.563 5.507 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)c(F)c3)nc(N3CCCC3)c12 ZINC000033279957 557062497 /nfs/dbraw/zinc/06/24/97/557062497.db2.gz DZVJMZXSDOKOAR-UHFFFAOYSA-N 0 0 447.489 5.168 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3cccc(Cl)c3)nc(N3CCCC3)c12 ZINC000033279943 557062528 /nfs/dbraw/zinc/06/25/28/557062528.db2.gz CZEHZWWPCLFJSL-UHFFFAOYSA-N 0 0 445.954 5.543 50 0 IKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 ZINC000048301002 557062662 /nfs/dbraw/zinc/06/26/62/557062662.db2.gz ICKKAABYZQTRRC-RUZDIDTESA-N 0 0 434.499 5.455 50 0 IKAARN CC(=O)N(c1nc(CN(C)C(c2ccccc2)c2ccccc2)cs1)c1ccc(F)cc1 ZINC000048303005 557064248 /nfs/dbraw/zinc/06/42/48/557064248.db2.gz GWYUJTYPKXONLG-UHFFFAOYSA-N 0 0 445.563 6.188 50 0 IKAARN Cn1c2ccccc2c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1-c1ccccc1 ZINC000048314769 557064796 /nfs/dbraw/zinc/06/47/96/557064796.db2.gz CJASKXAATPESHU-UHFFFAOYSA-N 0 0 437.543 5.336 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000023125763 557065162 /nfs/dbraw/zinc/06/51/62/557065162.db2.gz KSCMWKJYIOKNQA-UHFFFAOYSA-N 0 0 442.606 5.511 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3cccc(C(C)C)c3)CC2)cc1 ZINC000033288232 557065560 /nfs/dbraw/zinc/06/55/60/557065560.db2.gz RDJQWPUHROLWQV-UHFFFAOYSA-N 0 0 430.552 5.556 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000033288413 557065564 /nfs/dbraw/zinc/06/55/64/557065564.db2.gz GYCUFSXRUVGTNV-QGZVFWFLSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1ccccc1Oc1nccnc1N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000033288248 557065612 /nfs/dbraw/zinc/06/56/12/557065612.db2.gz CZALEQORKABNJT-UHFFFAOYSA-N 0 0 430.552 5.556 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000033288420 557065739 /nfs/dbraw/zinc/06/57/39/557065739.db2.gz STOVMDCXSJQECD-KRWDZBQOSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\c3cccc(Cl)c3)cc2)cc1 ZINC000033288695 557065867 /nfs/dbraw/zinc/06/58/67/557065867.db2.gz KQNQRVSISIGRCM-AUWJEWJLSA-N 0 0 426.925 5.101 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000033288749 557066103 /nfs/dbraw/zinc/06/61/03/557066103.db2.gz KCHJKBABEULGKB-RAXLEYEMSA-N 0 0 448.972 5.021 50 0 IKAARN COc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1Cl ZINC000033289067 557066450 /nfs/dbraw/zinc/06/64/50/557066450.db2.gz QKBJJMWSHRSDDB-UHFFFAOYSA-N 0 0 431.970 5.329 50 0 IKAARN CC(=O)c1sc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)nc1-c1ccccc1 ZINC000017344416 557066710 /nfs/dbraw/zinc/06/67/10/557066710.db2.gz YRQMLRJNMRBCAI-UHFFFAOYSA-N 0 0 437.521 5.836 50 0 IKAARN Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)c1 ZINC000033281387 557067189 /nfs/dbraw/zinc/06/71/89/557067189.db2.gz TUXQWFYJSOURFZ-UHFFFAOYSA-N 0 0 443.547 5.615 50 0 IKAARN COc1ccc2oc(-c3csc(NC(=O)c4ccccc4Br)n3)cc2c1 ZINC000010882411 557067652 /nfs/dbraw/zinc/06/76/52/557067652.db2.gz XOFGHAPPBAFKGY-UHFFFAOYSA-N 0 0 429.295 5.580 50 0 IKAARN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2ccc(C)cc2OC)cc1OC ZINC000048333976 557068433 /nfs/dbraw/zinc/06/84/33/557068433.db2.gz ICPREOXKEWCLKC-UHFFFAOYSA-N 0 0 443.503 5.126 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 ZINC000048326722 557069179 /nfs/dbraw/zinc/06/91/79/557069179.db2.gz OORQAYDICWNNGN-HSZRJFAPSA-N 0 0 440.528 5.516 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2SC2CCCC2)c(C)c1 ZINC000048332183 557069855 /nfs/dbraw/zinc/06/98/55/557069855.db2.gz QGUCVLUJDQTANT-UHFFFAOYSA-N 0 0 425.598 5.749 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000023182055 557071317 /nfs/dbraw/zinc/07/13/17/557071317.db2.gz NULNMCMUFRAOTA-UHFFFAOYSA-N 0 0 446.576 5.480 50 0 IKAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000048342603 557071332 /nfs/dbraw/zinc/07/13/32/557071332.db2.gz GJGYTJNKNCFEPT-UHFFFAOYSA-N 0 0 448.486 5.249 50 0 IKAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)C)cc4)C3)n2)c1 ZINC000033289854 557071645 /nfs/dbraw/zinc/07/16/45/557071645.db2.gz RJWYQRJXTJODEU-NRFANRHFSA-N 0 0 446.551 5.228 50 0 IKAARN Cc1cccc(CN(Cn2nc([C@H](C)N(C)C)n(-c3ccc(F)cc3)c2=S)C2CC2)c1 ZINC000048354144 557072216 /nfs/dbraw/zinc/07/22/16/557072216.db2.gz WXLLETMEJISFCN-SFHVURJKSA-N 0 0 439.604 5.096 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000023193965 557072605 /nfs/dbraw/zinc/07/26/05/557072605.db2.gz GCVJNRLDMWNOIU-BVZFJXPGSA-N 0 0 430.573 5.452 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3ccc(C)c(C)c3)no2)c1C ZINC000033296877 557072903 /nfs/dbraw/zinc/07/29/03/557072903.db2.gz VRSRMPMAHBBWOL-UHFFFAOYSA-N 0 0 440.507 5.241 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCOc1ccccc1Cl ZINC000048353540 557072959 /nfs/dbraw/zinc/07/29/59/557072959.db2.gz XZHXMEIYCLVCOT-UHFFFAOYSA-N 0 0 446.378 5.283 50 0 IKAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCc3ccccc3Cl)c2)n1 ZINC000033297761 557073190 /nfs/dbraw/zinc/07/31/90/557073190.db2.gz NQZVVWQAIVCEQD-UHFFFAOYSA-N 0 0 427.016 5.301 50 0 IKAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCc3ccc(Cl)cc3)c2)n1 ZINC000033297762 557073195 /nfs/dbraw/zinc/07/31/95/557073195.db2.gz UQMPYOLMSXWTCI-UHFFFAOYSA-N 0 0 427.016 5.301 50 0 IKAARN CSc1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297846 557073644 /nfs/dbraw/zinc/07/36/44/557073644.db2.gz ZQMHHGHOSXODBD-UHFFFAOYSA-N 0 0 438.665 5.370 50 0 IKAARN COc1ccc([C@H](C)NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297838 557073665 /nfs/dbraw/zinc/07/36/65/557073665.db2.gz SJGRUHYSSGLCNN-ZDUSSCGKSA-N 0 0 436.624 5.217 50 0 IKAARN COc1ccc(-c2noc(Cc3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000033298199 557074302 /nfs/dbraw/zinc/07/43/02/557074302.db2.gz UTVOCLBIXPCIQS-UHFFFAOYSA-N 0 0 428.311 5.222 50 0 IKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1Br ZINC000048368451 557075704 /nfs/dbraw/zinc/07/57/04/557075704.db2.gz JAFOTQQOQKBBDY-UHFFFAOYSA-N 0 0 445.260 6.054 50 0 IKAARN Cc1sc(C)c(S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1-c1cc(C(F)(F)F)on1 ZINC000033299398 557078031 /nfs/dbraw/zinc/07/80/31/557078031.db2.gz SHFRMXQQQLVXCN-UHFFFAOYSA-N 0 0 444.500 5.481 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000033299588 557078294 /nfs/dbraw/zinc/07/82/94/557078294.db2.gz JUAGRKVVEMQTJP-INIZCTEOSA-N 0 0 433.499 5.156 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(CN3CCC(c4nc5ccccc5[nH]4)CC3)n2)cc1 ZINC000023251681 557078669 /nfs/dbraw/zinc/07/86/69/557078669.db2.gz RZXXASCXJJZBRX-UHFFFAOYSA-N 0 0 427.430 5.011 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nccn2nc(-c3ccc(C)cc3C)cc12 ZINC000048990978 557080458 /nfs/dbraw/zinc/08/04/58/557080458.db2.gz SCIPRTLTZKMWBN-UHFFFAOYSA-N 0 0 440.572 6.577 50 0 IKAARN CCOc1ccc(-n2cc(-c3nc(-c4cccc(OC)c4)no3)c3ccccc3c2=O)cc1 ZINC000049001822 557081141 /nfs/dbraw/zinc/08/11/41/557081141.db2.gz ZQMUMLSHXZKCME-UHFFFAOYSA-N 0 0 439.471 5.115 50 0 IKAARN COc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000033301533 557083338 /nfs/dbraw/zinc/08/33/38/557083338.db2.gz FFOKJRNIYWRNOS-UHFFFAOYSA-N 0 0 433.455 5.210 50 0 IKAARN CCc1cccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3cc(OC)c(OC)cc32)c1 ZINC000048989345 557083357 /nfs/dbraw/zinc/08/33/57/557083357.db2.gz SWOKYMNADAYYDI-QGZVFWFLSA-N 0 0 433.552 5.430 50 0 IKAARN CCOc1ccc(-c2csc3c2[nH]c(N2CCc4ccccc4C2)nc3=O)cc1OCC ZINC000048989253 557083393 /nfs/dbraw/zinc/08/33/93/557083393.db2.gz INSPOQPLHKLLSM-UHFFFAOYSA-N 0 0 447.560 5.012 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CC(C)(C)C)CC2 ZINC000023306999 557083486 /nfs/dbraw/zinc/08/34/86/557083486.db2.gz JAWBHRZBUQWQCO-QFIPXVFZSA-N 0 0 435.486 5.633 50 0 IKAARN CCOc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000048989739 557083631 /nfs/dbraw/zinc/08/36/31/557083631.db2.gz LPVYGAFXNNJZSC-UHFFFAOYSA-N 0 0 448.544 5.444 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1OC ZINC000049005037 557084225 /nfs/dbraw/zinc/08/42/25/557084225.db2.gz ANNNUJDPZNOTBY-QGZVFWFLSA-N 0 0 438.959 5.749 50 0 IKAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@H]3CC)cnc3nc(C)ccc32)c1 ZINC000049005125 557084270 /nfs/dbraw/zinc/08/42/70/557084270.db2.gz FQYAJIBBOGQZPD-HXUWFJFHSA-N 0 0 446.551 5.263 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(C(F)(F)F)cc2)n1 ZINC000049005183 557084294 /nfs/dbraw/zinc/08/42/94/557084294.db2.gz HIBOMKGTBACGTO-OAHLLOKOSA-N 0 0 428.458 5.715 50 0 IKAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000023334842 557084402 /nfs/dbraw/zinc/08/44/02/557084402.db2.gz WDHAAYVFOBOJKJ-UHFFFAOYSA-N 0 0 444.331 5.497 50 0 IKAARN COc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1F ZINC000023333656 557084466 /nfs/dbraw/zinc/08/44/66/557084466.db2.gz HKKNBPJSCPBRGC-XMMPIXPASA-N 0 0 438.930 5.035 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000049005446 557084528 /nfs/dbraw/zinc/08/45/28/557084528.db2.gz QQGKNZOJLWOYBJ-UHFFFAOYSA-N 0 0 444.457 5.453 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2cccc(Br)c2)n1 ZINC000049005414 557084602 /nfs/dbraw/zinc/08/46/02/557084602.db2.gz OZWCCNLORZFMJJ-AWEZNQCLSA-N 0 0 439.357 5.316 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)c(C)c1 ZINC000049006706 557085422 /nfs/dbraw/zinc/08/54/22/557085422.db2.gz DWDBVPGBTXPQEZ-UHFFFAOYSA-N 0 0 426.973 5.398 50 0 IKAARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000049007171 557085706 /nfs/dbraw/zinc/08/57/06/557085706.db2.gz AFYZRPFSHCTJEM-UHFFFAOYSA-N 0 0 438.862 5.250 50 0 IKAARN Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(Oc3ncccn3)cc2)c1 ZINC000023340364 557086002 /nfs/dbraw/zinc/08/60/02/557086002.db2.gz OAUMHXKMAQMYML-HHHXNRCGSA-N 0 0 448.526 5.604 50 0 IKAARN Cc1ccc(C)c(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)c1 ZINC000033307386 557086799 /nfs/dbraw/zinc/08/67/99/557086799.db2.gz DBYIBNBQRLRGAN-UHFFFAOYSA-N 0 0 433.895 5.838 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)cc1 ZINC000004757882 557087141 /nfs/dbraw/zinc/08/71/41/557087141.db2.gz MVIHPZXMTRUMPH-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3Cl)n3c4ccccc4nc32)cc1 ZINC000023382108 557089232 /nfs/dbraw/zinc/08/92/32/557089232.db2.gz XBBNWYRVSMNWCG-QFIPXVFZSA-N 0 0 444.922 5.115 50 0 IKAARN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000060012714 557091288 /nfs/dbraw/zinc/09/12/88/557091288.db2.gz BLFRBYNXGVSWCQ-CQSZACIVSA-N 0 0 448.466 5.217 50 0 IKAARN Clc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008399833 557091374 /nfs/dbraw/zinc/09/13/74/557091374.db2.gz IOTFSPZKZUXBDY-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)cc1 ZINC000033310108 557093201 /nfs/dbraw/zinc/09/32/01/557093201.db2.gz IJMPUBXYAMVXRP-UHFFFAOYSA-N 0 0 441.506 5.438 50 0 IKAARN COc1c2cc(NC(=O)c3nccc4ccccc43)ccc2oc1C(=O)Nc1ccccc1 ZINC000033310131 557093331 /nfs/dbraw/zinc/09/33/31/557093331.db2.gz BZIFBCBOHQQFOC-UHFFFAOYSA-N 0 0 437.455 5.494 50 0 IKAARN Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4ccccc4C)ccc3n2)cc1 ZINC000033310115 557093350 /nfs/dbraw/zinc/09/33/50/557093350.db2.gz QWXZAIHFWGJZBB-UHFFFAOYSA-N 0 0 437.543 5.608 50 0 IKAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCC4CCCCC4)CC3)ncn2)c1 ZINC000033312065 557095750 /nfs/dbraw/zinc/09/57/50/557095750.db2.gz AVYHXSMVAHUXJE-UHFFFAOYSA-N 0 0 438.641 5.158 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]3(C)c2ccc(Br)cc2)cc1 ZINC000008431678 557096879 /nfs/dbraw/zinc/09/68/79/557096879.db2.gz URAQWUKSEIIJRB-LADGPHEKSA-N 0 0 449.348 5.874 50 0 IKAARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000004767871 557098546 /nfs/dbraw/zinc/09/85/46/557098546.db2.gz TXLDLEMYRAJHTL-DEOSSOPVSA-N 0 0 447.535 5.218 50 0 IKAARN CC1=Nc2nc3ccccc3n2[C@@H](c2c(F)cccc2Cl)C1C(=O)OC1CCCCC1 ZINC000004767999 557098571 /nfs/dbraw/zinc/09/85/71/557098571.db2.gz QKQNUXQQFNBGAU-JOCHJYFZSA-N 0 0 439.918 5.994 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1ccncc1)O2 ZINC000008441558 557099305 /nfs/dbraw/zinc/09/93/05/557099305.db2.gz GDURNPXMLFLNTC-ILBGXUMGSA-N 0 0 446.337 6.784 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)c2c[nH]c3ccccc32)cc1 ZINC000023573173 557099486 /nfs/dbraw/zinc/09/94/86/557099486.db2.gz HIIXPRVQAGJMOF-HXUWFJFHSA-N 0 0 434.923 5.157 50 0 IKAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(C(C)C)cc3)cccn12 ZINC000049405052 557100013 /nfs/dbraw/zinc/10/00/13/557100013.db2.gz WJZGASKKZNTLDJ-UHFFFAOYSA-N 0 0 448.592 5.119 50 0 IKAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc(C(C)C)cc3)cccn12 ZINC000049405059 557100078 /nfs/dbraw/zinc/10/00/78/557100078.db2.gz SSACRZSBZNZZMI-UHFFFAOYSA-N 0 0 448.592 5.119 50 0 IKAARN CCCCc1ccc(N(c2ccc(Br)cc2)c2ccc(CCCC)cc2)cc1 ZINC000085210684 557100912 /nfs/dbraw/zinc/10/09/12/557100912.db2.gz HNGYCECISKVGIZ-UHFFFAOYSA-N 0 0 436.437 8.604 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(SCC(=O)Nc4cccc(C)c4C)nc3)n2)cc1 ZINC000049405674 557100936 /nfs/dbraw/zinc/10/09/36/557100936.db2.gz QXBNHCLEISSDJP-UHFFFAOYSA-N 0 0 446.532 5.155 50 0 IKAARN C[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407306 557101321 /nfs/dbraw/zinc/10/13/21/557101321.db2.gz SPLJQAYHSYNTQM-CYBMUJFWSA-N 0 0 446.309 5.543 50 0 IKAARN COc1cc2c(cc1OC)C(=O)C(C)(C)N(C(=O)CC(c1ccccc1)c1ccccc1)C2 ZINC000023633957 557101809 /nfs/dbraw/zinc/10/18/09/557101809.db2.gz LHFVRMUHSJZYTR-UHFFFAOYSA-N 0 0 443.543 5.230 50 0 IKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000023636123 557101932 /nfs/dbraw/zinc/10/19/32/557101932.db2.gz INBGSIFVUYAENP-GFCCVEGCSA-N 0 0 432.471 5.555 50 0 IKAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3)n2CC(C)C)sc1C ZINC000072191957 557102093 /nfs/dbraw/zinc/10/20/93/557102093.db2.gz VMJFGUKOXSXZPC-INIZCTEOSA-N 0 0 429.615 5.102 50 0 IKAARN CCc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000085618790 557102233 /nfs/dbraw/zinc/10/22/33/557102233.db2.gz GYIYYQXGJFXPCU-SANMLTNESA-N 0 0 443.572 5.001 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncccc2-c2nc(-c3cccs3)no2)c(Cl)c1 ZINC000049406966 557102509 /nfs/dbraw/zinc/10/25/09/557102509.db2.gz JFQIYWLMJCMDJC-UHFFFAOYSA-N 0 0 442.953 5.553 50 0 IKAARN Cc1ccc(N2CCn3c4ccccc4nc3C2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000033320592 557103786 /nfs/dbraw/zinc/10/37/86/557103786.db2.gz SWPSXPIAWFTNER-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cccc2ncccc21 ZINC000023210319 557105457 /nfs/dbraw/zinc/10/54/57/557105457.db2.gz HNTAPJYJERWSGX-GFCCVEGCSA-N 0 0 425.514 5.088 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nnc(-c2cccs2)o1 ZINC000017660699 557105584 /nfs/dbraw/zinc/10/55/84/557105584.db2.gz XVWLOSCQZQRYFK-HNNXBMFYSA-N 0 0 431.542 6.973 50 0 IKAARN CC(C)N(C(=O)n1c2ccccc2cc1P(C1CCCCC1)C1CCCCC1)C(C)C ZINC000086032091 557106055 /nfs/dbraw/zinc/10/60/55/557106055.db2.gz FDXSDIWDTPDIQJ-UHFFFAOYSA-N 0 0 440.612 7.501 50 0 IKAARN Cc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1Cl ZINC000033326056 557107793 /nfs/dbraw/zinc/10/77/93/557107793.db2.gz JPVJYRKSKMIJME-SFHVURJKSA-N 0 0 427.957 5.341 50 0 IKAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1 ZINC000086069965 557108425 /nfs/dbraw/zinc/10/84/25/557108425.db2.gz SVOYXDTWMDOTEY-UHFFFAOYSA-N 0 0 447.970 5.540 50 0 IKAARN Cc1nc(NC2CCCCC2)cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)[nH+]1 ZINC000033326929 557108886 /nfs/dbraw/zinc/10/88/86/557108886.db2.gz MBNCSOLQUXQOQN-UHFFFAOYSA-N 0 0 443.598 5.136 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cn(Cc2ccc(NC(=O)c3ccccc3)cc2)cn1 ZINC000049422243 557109210 /nfs/dbraw/zinc/10/92/10/557109210.db2.gz DCERHNRTZZZDCO-UHFFFAOYSA-N 0 0 430.895 5.089 50 0 IKAARN COc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)cc1 ZINC000033327304 557109698 /nfs/dbraw/zinc/10/96/98/557109698.db2.gz BDYLYMIPSMTCAG-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)cc1 ZINC000033327314 557109745 /nfs/dbraw/zinc/10/97/45/557109745.db2.gz FOQOTCHDFRTRJU-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN Cc1cccc2sc(OC3CCN(C(=O)c4cccc(Br)c4)CC3)nc21 ZINC000049431597 557109862 /nfs/dbraw/zinc/10/98/62/557109862.db2.gz BMCYZIPILKYCEH-UHFFFAOYSA-N 0 0 431.355 5.051 50 0 IKAARN COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4Cl)c3)no2)c1 ZINC000033327383 557110066 /nfs/dbraw/zinc/11/00/66/557110066.db2.gz OTBFZHGKZHDIDS-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(NC(=O)N2CCC(Oc3nc4c(cccc4Cl)s3)CC2)c(OC)c1 ZINC000049443132 557110195 /nfs/dbraw/zinc/11/01/95/557110195.db2.gz PXZNVFGRXFPMNO-UHFFFAOYSA-N 0 0 447.944 5.042 50 0 IKAARN COc1cccc(NC(=O)N2CCC(Oc3nc4c(s3)c(C)ccc4C)CC2)c1OC ZINC000049443602 557110203 /nfs/dbraw/zinc/11/02/03/557110203.db2.gz IQSIIOYMAMIRRA-UHFFFAOYSA-N 0 0 441.553 5.006 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1)c1ccco1 ZINC000011361062 557110874 /nfs/dbraw/zinc/11/08/74/557110874.db2.gz KGAPGEJUOMIRFJ-UHFFFAOYSA-N 0 0 434.455 5.394 50 0 IKAARN O=C(NCc1cn2ccccc2n1)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000023754895 557114306 /nfs/dbraw/zinc/11/43/06/557114306.db2.gz REEPVJRUXLKPQA-UHFFFAOYSA-N 0 0 431.492 5.197 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000017742991 557114416 /nfs/dbraw/zinc/11/44/16/557114416.db2.gz JFHOENLRKFZCFV-UHFFFAOYSA-N 0 0 443.444 5.182 50 0 IKAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccccc4C(C)C)n3C)oc21 ZINC000000687534 557114805 /nfs/dbraw/zinc/11/48/05/557114805.db2.gz JUJJAQCPSQRUNG-UHFFFAOYSA-N 0 0 436.537 5.091 50 0 IKAARN CSCC[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 ZINC000049632643 557115845 /nfs/dbraw/zinc/11/58/45/557115845.db2.gz GOFFXPATGGEBDZ-HXUWFJFHSA-N 0 0 439.512 5.098 50 0 IKAARN CC(C)OP(=O)(OC(C)C)[C@H](NCc1ccccc1)c1ccc(Br)cc1 ZINC000023224591 557116015 /nfs/dbraw/zinc/11/60/15/557116015.db2.gz ROFPXQYPDKOLLL-FQEVSTJZSA-N 0 0 440.318 6.281 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1I ZINC000000723573 557116182 /nfs/dbraw/zinc/11/61/82/557116182.db2.gz YAESCFDXHNJWRH-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN CCn1c(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)nc2ccccc21 ZINC000049590069 557116506 /nfs/dbraw/zinc/11/65/06/557116506.db2.gz ZVUJWYTXQYFBOL-UHFFFAOYSA-N 0 0 425.488 5.311 50 0 IKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1OCC ZINC000004783919 557116984 /nfs/dbraw/zinc/11/69/84/557116984.db2.gz KXIMFFUCPHXCKB-BTYIYWSLSA-N 0 0 428.598 6.125 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1C ZINC000113563807 557117190 /nfs/dbraw/zinc/11/71/90/557117190.db2.gz SFDQQEIGKUXRKU-JOCHJYFZSA-N 0 0 436.577 5.246 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1C ZINC000113562358 557117347 /nfs/dbraw/zinc/11/73/47/557117347.db2.gz NSODVGHPBMILLK-JOCHJYFZSA-N 0 0 445.544 5.372 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)cc1 ZINC000004784317 557117580 /nfs/dbraw/zinc/11/75/80/557117580.db2.gz JCMHWJZABAYRTG-NDEPHWFRSA-N 0 0 427.544 5.250 50 0 IKAARN O=C(CSc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc2ccccc2c1 ZINC000113627240 557118269 /nfs/dbraw/zinc/11/82/69/557118269.db2.gz KTVCWHCDJUJPKD-GOTSBHOMSA-N 0 0 442.540 5.026 50 0 IKAARN C[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)c(F)c1 ZINC000023818374 557118371 /nfs/dbraw/zinc/11/83/71/557118371.db2.gz PPZCZGVFIUNAJE-LLVKDONJSA-N 0 0 447.835 5.126 50 0 IKAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2c(Br)cccc12 ZINC000001065233 557118436 /nfs/dbraw/zinc/11/84/36/557118436.db2.gz RLERZMKHPBAVSL-UHFFFAOYSA-N 0 0 445.744 5.345 50 0 IKAARN CCCCc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000049947067 557118843 /nfs/dbraw/zinc/11/88/43/557118843.db2.gz FIUSKSPXUZPKFQ-RUZDIDTESA-N 0 0 431.923 5.560 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cc(Cl)ccc1OC(F)F ZINC000004786434 557119262 /nfs/dbraw/zinc/11/92/62/557119262.db2.gz PAXCRADFKUHPML-SFHVURJKSA-N 0 0 433.842 5.143 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)n2c(nc3ccccc32)N1 ZINC000004786463 557119280 /nfs/dbraw/zinc/11/92/80/557119280.db2.gz NXJSTONMYRYHNE-QFIPXVFZSA-N 0 0 432.886 5.756 50 0 IKAARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004786964 557119626 /nfs/dbraw/zinc/11/96/26/557119626.db2.gz DNZAUNVIOKZOEV-RUZDIDTESA-N 0 0 438.531 5.589 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000004786542 557119865 /nfs/dbraw/zinc/11/98/65/557119865.db2.gz PRHRNEZNIAQNMJ-HSZRJFAPSA-N 0 0 444.922 5.626 50 0 IKAARN Cc1cc(NC(=O)CSc2ccc(Cl)cc2)c(C)cc1I ZINC000001117890 557121254 /nfs/dbraw/zinc/12/12/54/557121254.db2.gz UATNOOTWZYBOQM-UHFFFAOYSA-N 0 0 431.726 5.292 50 0 IKAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014921064 557121347 /nfs/dbraw/zinc/12/13/47/557121347.db2.gz PKIXBQNEMACLOX-BOPFTXTBSA-N 0 0 428.669 5.707 50 0 IKAARN COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(Cl)cc3)cc21 ZINC000000623975 557121717 /nfs/dbraw/zinc/12/17/17/557121717.db2.gz NNZIZUKDOPPTRF-UHFFFAOYSA-N 0 0 437.673 5.205 50 0 IKAARN C=CCc1cc(C=C2SC(Nc3cc(Cl)ccc3OC)=NC2=O)cc(OCC)c1O ZINC000033347736 557122977 /nfs/dbraw/zinc/12/29/77/557122977.db2.gz RXUJJYLQCCASHP-YBFXNURJSA-N 0 0 444.940 5.264 50 0 IKAARN COc1ccc(/C=C\C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000033347517 557123046 /nfs/dbraw/zinc/12/30/46/557123046.db2.gz MWYUJIJBLKPPPX-JYRVWZFOSA-N 0 0 449.304 5.918 50 0 IKAARN O=C1NC(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000033349056 557123500 /nfs/dbraw/zinc/12/35/00/557123500.db2.gz MKRFQCCNCLCPQP-UUYOSTAYSA-N 0 0 445.881 5.579 50 0 IKAARN O=C(Nc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000000644189 557124056 /nfs/dbraw/zinc/12/40/56/557124056.db2.gz MVDRAANGCDDWQZ-UHFFFAOYSA-N 0 0 443.208 6.110 50 0 IKAARN CCc1sc(-c2nnc(CSc3nnc(NCCc4ccccc4)s3)o2)cc1C ZINC000023907871 557124509 /nfs/dbraw/zinc/12/45/09/557124509.db2.gz NRUUKBVREYWWPG-UHFFFAOYSA-N 0 0 443.623 5.467 50 0 IKAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)c1cc(Br)ccc1Cl ZINC000004790835 557124834 /nfs/dbraw/zinc/12/48/34/557124834.db2.gz CDNPOWBWCAQMAR-UHFFFAOYSA-N 0 0 432.730 5.731 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(Br)cc2)cc1 ZINC000004791047 557124858 /nfs/dbraw/zinc/12/48/58/557124858.db2.gz CBTIUWNZUSURFY-UHFFFAOYSA-N 0 0 436.309 5.333 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000606422412 557125165 /nfs/dbraw/zinc/12/51/65/557125165.db2.gz XYWGHUBLYXUPOD-RHSMWYFYSA-N 0 0 434.754 6.184 50 0 IKAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2cccs2)cc1C ZINC000606422479 557125384 /nfs/dbraw/zinc/12/53/84/557125384.db2.gz UGLTZDITMUHIIG-UHFFFAOYSA-N 0 0 445.588 6.018 50 0 IKAARN O=c1[nH]c(CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)nc2cc(Cl)ccc12 ZINC000023909435 557125896 /nfs/dbraw/zinc/12/58/96/557125896.db2.gz LBAJHCUNKVCZFK-OAQYLSRUSA-N 0 0 441.865 5.057 50 0 IKAARN CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 ZINC000004794674 557126776 /nfs/dbraw/zinc/12/67/76/557126776.db2.gz LSVVQGOVNUXOAF-UADAULAISA-N 0 0 426.604 7.258 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000023936788 557126805 /nfs/dbraw/zinc/12/68/05/557126805.db2.gz XFBUALDATYCZJK-UHFFFAOYSA-N 0 0 426.520 5.156 50 0 IKAARN Cc1ccc(CSc2nnc(-c3ccc(NC(=O)/C=C\c4ccccc4)cc3)n2C)cc1 ZINC000033349898 557127677 /nfs/dbraw/zinc/12/76/77/557127677.db2.gz FTMNANGXWGDVQQ-ATVHPVEESA-N 0 0 440.572 5.735 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000017917230 557128640 /nfs/dbraw/zinc/12/86/40/557128640.db2.gz CZGHBPAVGARDAP-UHFFFAOYSA-N 0 0 435.380 5.272 50 0 IKAARN Cc1c(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000654374 557129346 /nfs/dbraw/zinc/12/93/46/557129346.db2.gz QOXPQJNNZWCGMH-UHFFFAOYSA-N 0 0 440.934 5.912 50 0 IKAARN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(Cl)s1 ZINC000023982931 557129428 /nfs/dbraw/zinc/12/94/28/557129428.db2.gz XUVLCAFEPVZNHQ-UHFFFAOYSA-N 0 0 427.334 5.108 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 ZINC000102681685 557129778 /nfs/dbraw/zinc/12/97/78/557129778.db2.gz ZCLHYOSGLYGZBR-DCPHZVHLSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)cc1Cl ZINC000000661414 557130830 /nfs/dbraw/zinc/13/08/30/557130830.db2.gz JSZXPSOCBZGVJY-UHFFFAOYSA-N 0 0 437.908 5.488 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4F)c(N)c3cc2C1 ZINC000000661842 557131169 /nfs/dbraw/zinc/13/11/69/557131169.db2.gz UPFFOZCTOQABIU-JTQLQIEISA-N 0 0 448.361 5.547 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)c(C)c4)c(N)c3cc2C1 ZINC000000661756 557131180 /nfs/dbraw/zinc/13/11/80/557131180.db2.gz JBPZEZZFJSPMSI-GFCCVEGCSA-N 0 0 444.398 5.717 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cccc(Br)c4)c(N)c3cc2C1 ZINC000000661770 557131208 /nfs/dbraw/zinc/13/12/08/557131208.db2.gz FUCZERKARCOTKJ-NSHDSACASA-N 0 0 430.371 5.408 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)ccc1OCc1cccc(Cl)c1 ZINC000000668316 557131732 /nfs/dbraw/zinc/13/17/32/557131732.db2.gz CPFVUUUZGMSTHV-GZTJUZNOSA-N 0 0 425.893 5.334 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000000667209 557131789 /nfs/dbraw/zinc/13/17/89/557131789.db2.gz JOYVNWDCFOZHSM-UHFFFAOYSA-N 0 0 430.122 6.189 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2F)sc2nc(Cc3ccccc3)cc(C(F)(F)F)c12 ZINC000000664858 557131794 /nfs/dbraw/zinc/13/17/94/557131794.db2.gz BLZICZKXDZKEKR-UHFFFAOYSA-N 0 0 445.441 5.880 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)ccc2c1 ZINC000024735462 557131884 /nfs/dbraw/zinc/13/18/84/557131884.db2.gz SPNKSVRWVUMQDN-AWEZNQCLSA-N 0 0 445.346 5.356 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000000672315 557133199 /nfs/dbraw/zinc/13/31/99/557133199.db2.gz ICYGTUYVZHDDSI-QGZVFWFLSA-N 0 0 446.378 5.878 50 0 IKAARN CSc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000673910 557133441 /nfs/dbraw/zinc/13/34/41/557133441.db2.gz MEDGTNVTZGDPBK-CRAIPNDOSA-N 0 0 432.471 5.518 50 0 IKAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000017962758 557133411 /nfs/dbraw/zinc/13/34/11/557133411.db2.gz AIEAUCKZDOVYMT-QGZVFWFLSA-N 0 0 446.576 5.427 50 0 IKAARN Cn1c2ccccc2c2cc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCCCC3)ccc21 ZINC000000675767 557133721 /nfs/dbraw/zinc/13/37/21/557133721.db2.gz DBJXSFVUHUXGDL-LYBHJNIJSA-N 0 0 437.543 5.115 50 0 IKAARN CC[C@@H](COC(=O)Nc1cccc2ccccc21)N1C(=O)CS[C@@H]1c1ccc(C)cc1 ZINC000000675804 557133741 /nfs/dbraw/zinc/13/37/41/557133741.db2.gz FKGQHNYPBDOSPA-GBXCKJPGSA-N 0 0 434.561 5.750 50 0 IKAARN Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1NC(=O)c1ccco1 ZINC000002861536 557133803 /nfs/dbraw/zinc/13/38/03/557133803.db2.gz CCYCWEWIYFEHSN-UHFFFAOYSA-N 0 0 445.327 6.614 50 0 IKAARN C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1nc(C(C)(C)C)no1 ZINC000024047799 557133828 /nfs/dbraw/zinc/13/38/28/557133828.db2.gz QCLHULVICYLIFG-ZDUSSCGKSA-N 0 0 432.981 5.055 50 0 IKAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000017967553 557134105 /nfs/dbraw/zinc/13/41/05/557134105.db2.gz IGPYTNAULKVPGS-UHFFFAOYSA-N 0 0 431.348 5.125 50 0 IKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(I)ccc1Cl ZINC000002836794 557134141 /nfs/dbraw/zinc/13/41/41/557134141.db2.gz NHYBGGFVVOMOJL-UHFFFAOYSA-N 0 0 449.100 5.460 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)n1 ZINC000024755954 557134366 /nfs/dbraw/zinc/13/43/66/557134366.db2.gz SECGJPXOWNYTCU-ZDUSSCGKSA-N 0 0 427.480 5.401 50 0 IKAARN O=C(NC(=S)Nc1ccc(Br)cc1F)C(c1ccccc1)c1ccccc1 ZINC000002881278 557135074 /nfs/dbraw/zinc/13/50/74/557135074.db2.gz XWICGKAFUGLWGW-UHFFFAOYSA-N 0 0 443.341 5.233 50 0 IKAARN CC(C)c1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000002883306 557135101 /nfs/dbraw/zinc/13/51/01/557135101.db2.gz FZLQBQDKEQSMAD-UHFFFAOYSA-N 0 0 427.367 5.853 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)[C@H](C)S(C)(=O)=O)cc2F)cc1 ZINC000072285149 557135175 /nfs/dbraw/zinc/13/51/75/557135175.db2.gz ZEMVITPHVBFUKN-HOTGVXAUSA-N 0 0 437.602 5.053 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000009130308 557135527 /nfs/dbraw/zinc/13/55/27/557135527.db2.gz AZTUEGNRIIFWSD-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSCc2c(Cl)cccc2Cl)o1 ZINC000060825135 557136224 /nfs/dbraw/zinc/13/62/24/557136224.db2.gz QZGMLVYYKNMLHU-UHFFFAOYSA-N 0 0 432.332 6.440 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)sc2c1 ZINC000033365987 557136266 /nfs/dbraw/zinc/13/62/66/557136266.db2.gz YNNWTFCIYHVUKZ-UHFFFAOYSA-N 0 0 436.920 5.832 50 0 IKAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000017983716 557136218 /nfs/dbraw/zinc/13/62/18/557136218.db2.gz ZYLIZKWIAHXHFL-CYBMUJFWSA-N 0 0 444.582 5.091 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c3ccccc3n2)o1 ZINC000000689159 557136525 /nfs/dbraw/zinc/13/65/25/557136525.db2.gz QTVUNEGBRGBWJI-UHFFFAOYSA-N 0 0 434.495 6.635 50 0 IKAARN CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000000693568 557137018 /nfs/dbraw/zinc/13/70/18/557137018.db2.gz YJPDANJVKQKISY-UHFFFAOYSA-N 0 0 444.457 5.479 50 0 IKAARN Cc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000000693328 557137025 /nfs/dbraw/zinc/13/70/25/557137025.db2.gz NTQATGIBPFBAAX-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN Cc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000000693333 557137049 /nfs/dbraw/zinc/13/70/49/557137049.db2.gz PJEZEGBPOAJOHS-UHFFFAOYSA-N 0 0 426.520 5.211 50 0 IKAARN CC(C)COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000000693487 557137146 /nfs/dbraw/zinc/13/71/46/557137146.db2.gz CRSRXJUDVHYHKN-UHFFFAOYSA-N 0 0 444.510 5.289 50 0 IKAARN Cc1sc2nc(SCC(=O)N(C)Cc3ccsc3)n(C3CCCC3)c(=O)c2c1C ZINC000011385462 557137321 /nfs/dbraw/zinc/13/73/21/557137321.db2.gz WMZIAIOIHQKQJR-UHFFFAOYSA-N 0 0 447.651 5.002 50 0 IKAARN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000000696324 557137389 /nfs/dbraw/zinc/13/73/89/557137389.db2.gz DITQPIQAHZRPMR-UHFFFAOYSA-N 0 0 438.568 5.275 50 0 IKAARN COc1ccccc1Nc1nc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)cs1 ZINC000000705130 557139627 /nfs/dbraw/zinc/13/96/27/557139627.db2.gz PIZCFXWPQMZWHG-UHFFFAOYSA-N 0 0 427.485 5.363 50 0 IKAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccc(F)c(F)c1F ZINC000011398447 557140021 /nfs/dbraw/zinc/14/00/21/557140021.db2.gz NUHZWLZXBGCGEV-LBPRGKRZSA-N 0 0 440.377 5.096 50 0 IKAARN CCc1cccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000006916107 557140615 /nfs/dbraw/zinc/14/06/15/557140615.db2.gz RFCNSRXFMCVASE-UHFFFAOYSA-N 0 0 427.548 5.805 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000024226777 557141729 /nfs/dbraw/zinc/14/17/29/557141729.db2.gz DRDIFHOFMNFMPX-RUZDIDTESA-N 0 0 427.573 5.423 50 0 IKAARN O=C(COc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CCC2 ZINC000000708347 557141737 /nfs/dbraw/zinc/14/17/37/557141737.db2.gz PPVGCPGDXCNZQS-UHFFFAOYSA-N 0 0 442.540 5.660 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000024225608 557141832 /nfs/dbraw/zinc/14/18/32/557141832.db2.gz HRZTVLSZJDBXMT-UHFFFAOYSA-N 0 0 439.437 5.482 50 0 IKAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024278619 557142934 /nfs/dbraw/zinc/14/29/34/557142934.db2.gz AEQVHOKQGOWWQF-LADGPHEKSA-N 0 0 448.613 5.336 50 0 IKAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1csc(-c2ccsc2)n1 ZINC000024797713 557143745 /nfs/dbraw/zinc/14/37/45/557143745.db2.gz LDAFDZBDTJCLIM-UHFFFAOYSA-N 0 0 425.501 5.140 50 0 IKAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000003146972 557144653 /nfs/dbraw/zinc/14/46/53/557144653.db2.gz QEKGQFRAKSLLBZ-UHFFFAOYSA-N 0 0 434.583 6.908 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cc(F)c(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413813 557145543 /nfs/dbraw/zinc/14/55/43/557145543.db2.gz JNPAMFHAWDITSP-HXUWFJFHSA-N 0 0 439.437 5.489 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000011421559 557145658 /nfs/dbraw/zinc/14/56/58/557145658.db2.gz PHSLYIFFESKBCA-NRFANRHFSA-N 0 0 439.631 5.446 50 0 IKAARN CSc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409414661 557146086 /nfs/dbraw/zinc/14/60/86/557146086.db2.gz ZQFAUYLIDVTMCM-JOCHJYFZSA-N 0 0 431.561 5.794 50 0 IKAARN CC[C@H](C)n1c(S[C@@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 ZINC000011424528 557146209 /nfs/dbraw/zinc/14/62/09/557146209.db2.gz SBXNDTGFOCMKIO-IFXJQAMLSA-N 0 0 441.622 5.017 50 0 IKAARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@]1(CCOC(C)(C)OC1)O2 ZINC000409419871 557146392 /nfs/dbraw/zinc/14/63/92/557146392.db2.gz JPCPUGHXRFGTIL-BVPBTGHSSA-N 0 0 436.633 5.451 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc(OC)c1O ZINC000409415516 557146595 /nfs/dbraw/zinc/14/65/95/557146595.db2.gz MYVOSGXRLLLEDX-GOSISDBHSA-N 0 0 446.478 5.026 50 0 IKAARN CC(C)(C)NC(=O)CC1(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CCCC1 ZINC000024441311 557147027 /nfs/dbraw/zinc/14/70/27/557147027.db2.gz SDGBPLVTQRDYJI-JOCHJYFZSA-N 0 0 445.607 5.281 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415656 557147055 /nfs/dbraw/zinc/14/70/55/557147055.db2.gz VXHGITOWBPIDRA-HSZRJFAPSA-N 0 0 447.966 6.191 50 0 IKAARN O=C(Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1)c1ccccc1 ZINC000024468933 557147680 /nfs/dbraw/zinc/14/76/80/557147680.db2.gz ICTCFWOSUIJGJW-UHFFFAOYSA-N 0 0 432.570 5.905 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016246772 557147710 /nfs/dbraw/zinc/14/77/10/557147710.db2.gz PYGXDHNUEDDHOA-UHFFFAOYSA-N 0 0 439.481 5.645 50 0 IKAARN COc1ccc2ccc(OC)c(/C=C/c3nc4ccccc4c(=O)n3-c3ccccc3)c2c1 ZINC000016225980 557147718 /nfs/dbraw/zinc/14/77/18/557147718.db2.gz IHSMXLHBGILMSS-BMRADRMJSA-N 0 0 434.495 5.727 50 0 IKAARN COc1ccccc1Oc1nc(Oc2ccccc2OC)nc(Oc2ccccc2OC)n1 ZINC000016248162 557147992 /nfs/dbraw/zinc/14/79/92/557147992.db2.gz VWYNRKLJUNWLRL-UHFFFAOYSA-N 0 0 447.447 5.274 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)[C@@H]1C ZINC000016247910 557148124 /nfs/dbraw/zinc/14/81/24/557148124.db2.gz BZRSUEVHRVRBST-ZOCZFRKYSA-N 0 0 439.483 5.044 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 ZINC000000715927 557148140 /nfs/dbraw/zinc/14/81/40/557148140.db2.gz AETIAAFURLLYNX-UHFFFAOYSA-N 0 0 437.952 6.231 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)N2CCS[C@H]2c2ccc(Br)cc2)c1 ZINC000000716945 557148195 /nfs/dbraw/zinc/14/81/95/557148195.db2.gz DROWEFDSJWWLCA-HNNXBMFYSA-N 0 0 447.345 5.912 50 0 IKAARN Cc1c(NC(=O)c2ccc(Cl)cc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccccc1 ZINC000000719269 557149322 /nfs/dbraw/zinc/14/93/22/557149322.db2.gz CAGJXEMBPFYAGR-UHFFFAOYSA-N 0 0 443.952 5.563 50 0 aggregator IKAARN Cc1cccn2cc(-c3cccc(NC(=O)c4cc5cc(Cl)ccc5oc4=O)c3)nc12 ZINC000016400746 557151161 /nfs/dbraw/zinc/15/11/61/557151161.db2.gz KNEFOAJTAZZCSR-UHFFFAOYSA-N 0 0 429.863 5.322 50 0 IKAARN Cc1cc(-c2cc(C(=O)Nc3ccccc3OC(F)F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000011479724 557152171 /nfs/dbraw/zinc/15/21/71/557152171.db2.gz RQQJKLMKTDDYBR-UHFFFAOYSA-N 0 0 440.450 5.743 50 0 IKAARN Cc1ccc([C@@H](C)Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)o1 ZINC000024600934 557152523 /nfs/dbraw/zinc/15/25/23/557152523.db2.gz WCDMYJNBXRZYNN-OAHLLOKOSA-N 0 0 440.594 5.327 50 0 IKAARN O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc2oc3ccccc3c2c1 ZINC000016525532 557155023 /nfs/dbraw/zinc/15/50/23/557155023.db2.gz FLNMDNKLOCDGAJ-UHFFFAOYSA-N 0 0 449.915 6.833 50 0 IKAARN CCCCSc1nnc(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)s1 ZINC000023294282 557155067 /nfs/dbraw/zinc/15/50/67/557155067.db2.gz UTIUIWFTLYXBIZ-UHFFFAOYSA-N 0 0 447.655 5.272 50 0 IKAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000024619052 557156006 /nfs/dbraw/zinc/15/60/06/557156006.db2.gz RLCHNMXEPNMTLO-UHFFFAOYSA-N 0 0 442.500 5.496 50 0 IKAARN CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000024613753 557156037 /nfs/dbraw/zinc/15/60/37/557156037.db2.gz BTRPNUNGPHINQZ-UHFFFAOYSA-N 0 0 444.940 5.180 50 0 IKAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)c(F)c1 ZINC000095067955 557156008 /nfs/dbraw/zinc/15/60/08/557156008.db2.gz WMBIMJRXPRMTIS-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000014731043 557156763 /nfs/dbraw/zinc/15/67/63/557156763.db2.gz PCCRUXCNVGXWBZ-CMDGGOBGSA-N 0 0 425.868 5.221 50 0 IKAARN C[C@H]1CCN(C(=O)CNc2ccccc2NC(=O)c2ccccc2)c2ccccc2S1 ZINC000024661631 557158078 /nfs/dbraw/zinc/15/80/78/557158078.db2.gz PVCRZGVBSIKESI-SFHVURJKSA-N 0 0 431.561 5.268 50 0 IKAARN O[C@@]1(C(F)(F)F)CC(c2cccc3ccccc32)=NN1c1nc(-c2ccccc2)cs1 ZINC000016949292 557158454 /nfs/dbraw/zinc/15/84/54/557158454.db2.gz NSQHJCIXNPTTLI-JOCHJYFZSA-N 0 0 439.462 5.829 50 0 IKAARN CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c2cnn(C(C)C)c2n1 ZINC000024693687 557159135 /nfs/dbraw/zinc/15/91/35/557159135.db2.gz MYAOKNCRDXCSCX-QGZVFWFLSA-N 0 0 431.540 5.297 50 0 IKAARN O[C@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957575 557159213 /nfs/dbraw/zinc/15/92/13/557159213.db2.gz PEAWIEYQMCERBF-UZLBHIALSA-N 0 0 449.885 5.501 50 0 IKAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709453 557159813 /nfs/dbraw/zinc/15/98/13/557159813.db2.gz NCQIMNREUQEVJF-XMMPIXPASA-N 0 0 446.890 5.290 50 0 IKAARN O=C(NCc1cccc(Cn2ccnc2)c1)c1oc2ccccc2c1COc1ccccc1 ZINC000024749400 557162023 /nfs/dbraw/zinc/16/20/23/557162023.db2.gz MUUYWWFAIQANFE-UHFFFAOYSA-N 0 0 437.499 5.187 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)c(Cl)c2)c2ccccc2)c1 ZINC000024749398 557162076 /nfs/dbraw/zinc/16/20/76/557162076.db2.gz MJPTWBWXTJAPOU-VWLOTQADSA-N 0 0 447.966 5.876 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNc1ccccc1C(=O)Nc1ccccc1 ZINC000024756577 557163219 /nfs/dbraw/zinc/16/32/19/557163219.db2.gz QXJDQBONOQZYBE-QGZVFWFLSA-N 0 0 444.560 5.180 50 0 IKAARN Cc1sc2nc(C)nc(SCC(=O)Nc3cc4c(cc3Cl)OCCCO4)c2c1C ZINC000024759188 557163927 /nfs/dbraw/zinc/16/39/27/557163927.db2.gz SOJWHJPQTRBQTD-UHFFFAOYSA-N 0 0 449.985 5.162 50 0 IKAARN Nc1c(Cl)cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1Cl ZINC000024760256 557164299 /nfs/dbraw/zinc/16/42/99/557164299.db2.gz WACBCJPDOLQKNM-UHFFFAOYSA-N 0 0 433.192 5.172 50 0 IKAARN Nc1c(Cl)cc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1Cl ZINC000024760114 557164315 /nfs/dbraw/zinc/16/43/15/557164315.db2.gz NFDMJZPXDVONAB-UHFFFAOYSA-N 0 0 448.375 5.393 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000024765185 557164916 /nfs/dbraw/zinc/16/49/16/557164916.db2.gz QZPDJADJSCJTTH-UHFFFAOYSA-N 0 0 449.359 5.284 50 0 IKAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 ZINC000024766258 557165206 /nfs/dbraw/zinc/16/52/06/557165206.db2.gz VFUGMQKYJPDDTJ-INIZCTEOSA-N 0 0 434.569 5.812 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000024778901 557167310 /nfs/dbraw/zinc/16/73/10/557167310.db2.gz ALQRNMDQDOGMPW-UHFFFAOYSA-N 0 0 441.528 5.401 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000024843409 557168281 /nfs/dbraw/zinc/16/82/81/557168281.db2.gz OYOMQARXXLVTDW-SANMLTNESA-N 0 0 429.564 5.868 50 0 IKAARN COc1cc(-c2nc3ccccc3c(NCc3ccccc3Cl)n2)cc(OC)c1OC ZINC000000752850 557168675 /nfs/dbraw/zinc/16/86/75/557168675.db2.gz GTORWIQBALWYLW-UHFFFAOYSA-N 0 0 435.911 5.588 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2OC)sc2c1CCCC2 ZINC000000754171 557168677 /nfs/dbraw/zinc/16/86/77/557168677.db2.gz DTNFBKVLZXFPAI-UHFFFAOYSA-N 0 0 428.337 5.371 50 0 IKAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206994990 557169237 /nfs/dbraw/zinc/16/92/37/557169237.db2.gz KEKQUBHFGUEPMH-OAQYLSRUSA-N 0 0 429.948 5.200 50 0 IKAARN CC(=O)c1cccc(NC(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000023305338 557169754 /nfs/dbraw/zinc/16/97/54/557169754.db2.gz OULMKPGRFSBWMD-UHFFFAOYSA-N 0 0 426.560 6.433 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1OC(F)F ZINC000024831165 557170312 /nfs/dbraw/zinc/17/03/12/557170312.db2.gz MUADNTCCHHKJEO-UHFFFAOYSA-N 0 0 425.391 5.061 50 0 IKAARN COc1cc(CCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1 ZINC000024830959 557170354 /nfs/dbraw/zinc/17/03/54/557170354.db2.gz HUJYDLCZCWONDA-LJQANCHMSA-N 0 0 446.547 5.108 50 0 IKAARN Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c(C)c1 ZINC000000756769 557170438 /nfs/dbraw/zinc/17/04/38/557170438.db2.gz GRUPDJIXGYORHV-UHFFFAOYSA-N 0 0 447.629 6.663 50 0 IKAARN Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1Cl ZINC000000758034 557170739 /nfs/dbraw/zinc/17/07/39/557170739.db2.gz RZWNQTJXJSMGCA-UHFFFAOYSA-N 0 0 448.013 5.690 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000024832051 557170925 /nfs/dbraw/zinc/17/09/25/557170925.db2.gz GSCIFFWMWTVICQ-UHFFFAOYSA-N 0 0 442.210 5.353 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1 ZINC000024837033 557172281 /nfs/dbraw/zinc/17/22/81/557172281.db2.gz VXMLCBAGCCAKKX-UHFFFAOYSA-N 0 0 440.931 5.113 50 0 IKAARN CCCCc1noc(CSc2nnc(-c3cccs3)n2-c2ccccc2OC)n1 ZINC000024836847 557172326 /nfs/dbraw/zinc/17/23/26/557172326.db2.gz LMFMULKZOZCYDK-UHFFFAOYSA-N 0 0 427.555 5.022 50 0 IKAARN CCCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ncccc2C)cc1OCCC ZINC000024836185 557172329 /nfs/dbraw/zinc/17/23/29/557172329.db2.gz SGFWDXXHQYOOFA-UHFFFAOYSA-N 0 0 432.520 5.451 50 0 IKAARN CCc1nc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)cs1 ZINC000024842216 557173627 /nfs/dbraw/zinc/17/36/27/557173627.db2.gz FWOZZDAEWZQCFN-UHFFFAOYSA-N 0 0 448.404 5.947 50 0 IKAARN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CSc1cccs1 ZINC000000778189 557173684 /nfs/dbraw/zinc/17/36/84/557173684.db2.gz ZDQWKRGTTDEBDA-UHFFFAOYSA-N 0 0 426.357 5.177 50 0 IKAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)sc2nc(C3CC3)nc(C)c12 ZINC000024856512 557174535 /nfs/dbraw/zinc/17/45/35/557174535.db2.gz HZTNASOKZLAGNE-UHFFFAOYSA-N 0 0 444.560 5.049 50 0 IKAARN Cc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c(O)c1 ZINC000000781879 557176438 /nfs/dbraw/zinc/17/64/38/557176438.db2.gz QKTPJHIBFMDTDH-VWLOTQADSA-N 0 0 429.560 5.087 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000024917248 557178708 /nfs/dbraw/zinc/17/87/08/557178708.db2.gz WVOIDBJDLYKSTB-UHFFFAOYSA-N 0 0 431.542 5.475 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(C(F)(F)F)c1)N(c1ccccc1)C(=O)N2 ZINC000024926927 557180084 /nfs/dbraw/zinc/18/00/84/557180084.db2.gz RIYUFRZYPROWLH-QFIPXVFZSA-N 0 0 448.448 6.341 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S ZINC000024927528 557180554 /nfs/dbraw/zinc/18/05/54/557180554.db2.gz GPYUHXJXGTWCJN-UHFFFAOYSA-N 0 0 446.580 5.056 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C(C)C ZINC000009095960 557181814 /nfs/dbraw/zinc/18/18/14/557181814.db2.gz FZPKMQWBSBFBIY-UHFFFAOYSA-N 0 0 434.924 5.058 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000786606 557183157 /nfs/dbraw/zinc/18/31/57/557183157.db2.gz BUFUREVKUZXQEC-VWLOTQADSA-N 0 0 432.545 5.112 50 0 IKAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C ZINC000009265229 557183260 /nfs/dbraw/zinc/18/32/60/557183260.db2.gz QKCVWTZFLFOBOW-QGZVFWFLSA-N 0 0 449.605 5.051 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc(Cl)c1OC(C)C ZINC000097987490 557183947 /nfs/dbraw/zinc/18/39/47/557183947.db2.gz FGIBSFPAIOFGEO-LZYBPNLTSA-N 0 0 437.826 5.082 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1OC ZINC000000784296 557184847 /nfs/dbraw/zinc/18/48/47/557184847.db2.gz YNBUBAICNXQIHA-UHFFFAOYSA-N 0 0 439.324 5.097 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)CCCC(C)C)n1Cc1ccccc1 ZINC000024988507 557187015 /nfs/dbraw/zinc/18/70/15/557187015.db2.gz VLOQMTBFGQUEBU-SFHVURJKSA-N 0 0 440.613 5.318 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N[C@H](C)CCCC(C)C)n1Cc1ccccc1 ZINC000024988504 557187019 /nfs/dbraw/zinc/18/70/19/557187019.db2.gz VLOQMTBFGQUEBU-GOSISDBHSA-N 0 0 440.613 5.318 50 0 IKAARN Cc1sc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)nc1-c1ccccc1 ZINC000009329079 557187642 /nfs/dbraw/zinc/18/76/42/557187642.db2.gz ZVWIIRMPICQODZ-UHFFFAOYSA-N 0 0 439.566 5.282 50 0 IKAARN CSc1nc2ccc(NC(=O)c3c(C)nc(-c4cccs4)nc3SC)cc2s1 ZINC000024991739 557187648 /nfs/dbraw/zinc/18/76/48/557187648.db2.gz NMENGWQLJWUZOF-UHFFFAOYSA-N 0 0 444.632 5.819 50 0 IKAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(-n2ccnc2)cc1 ZINC000024993645 557188351 /nfs/dbraw/zinc/18/83/51/557188351.db2.gz MVYJSBVZIAUNMP-UHFFFAOYSA-N 0 0 428.439 5.196 50 0 IKAARN CC1CCN(Cc2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)n2)CC1 ZINC000025011502 557189380 /nfs/dbraw/zinc/18/93/80/557189380.db2.gz GFXKBANYGMYNAX-UHFFFAOYSA-N 0 0 443.576 5.238 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)N[C@H](c3ccccc3)c3ccc4[nH]cnc4c3)cs2)cc1 ZINC000025035554 557189892 /nfs/dbraw/zinc/18/98/92/557189892.db2.gz OFVQQFXMJHPDSY-RUZDIDTESA-N 0 0 438.556 5.443 50 0 IKAARN CCCc1noc(CSc2nnc(-c3cccnc3)n2-c2c(CC)cccc2CC)n1 ZINC000025047951 557190705 /nfs/dbraw/zinc/19/07/05/557190705.db2.gz PGCHGRWDJJQNGW-UHFFFAOYSA-N 0 0 434.569 5.082 50 0 IKAARN CCc1cccc(CC)c1-n1c(SCc2nc(C(C)C)no2)nnc1-c1cccnc1 ZINC000025048797 557190888 /nfs/dbraw/zinc/19/08/88/557190888.db2.gz CSJFJCZXSDVFMS-UHFFFAOYSA-N 0 0 434.569 5.253 50 0 IKAARN Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100841448 557191043 /nfs/dbraw/zinc/19/10/43/557191043.db2.gz JYJRWSQZRBROFA-OAQYLSRUSA-N 0 0 437.305 6.447 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000025052897 557191687 /nfs/dbraw/zinc/19/16/87/557191687.db2.gz BXHYJWUWQCAHMD-ZWKOTPCHSA-N 0 0 430.495 6.024 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000025052903 557191722 /nfs/dbraw/zinc/19/17/22/557191722.db2.gz BXHYJWUWQCAHMD-ROUUACIJSA-N 0 0 430.495 6.024 50 0 IKAARN CCCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N/c1ccccc1 ZINC000100858893 557193536 /nfs/dbraw/zinc/19/35/36/557193536.db2.gz YUAUSJVDGWPYIP-CYYJNZCTSA-N 0 0 445.588 6.793 50 0 IKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)Nc3ccc(C)cc3)cs2)s1 ZINC000096280620 557194016 /nfs/dbraw/zinc/19/40/16/557194016.db2.gz URDLSMZSWPDZMB-UHFFFAOYSA-N 0 0 427.639 6.122 50 0 IKAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1cccc2ccccc21 ZINC000100872566 557194129 /nfs/dbraw/zinc/19/41/29/557194129.db2.gz STACTLZGKOBUIY-LNVKXUELSA-N 0 0 441.350 5.006 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)c4cccs4)nn32)cc1 ZINC000100865745 557194714 /nfs/dbraw/zinc/19/47/14/557194714.db2.gz WMKSVLFJKVZPBJ-LJQANCHMSA-N 0 0 447.951 5.610 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000025082133 557194848 /nfs/dbraw/zinc/19/48/48/557194848.db2.gz HOJHOLFNNIDMIE-JOCHJYFZSA-N 0 0 443.547 5.207 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn(Cc3cccc4ccccc43)c(=O)c12 ZINC000000791217 557198924 /nfs/dbraw/zinc/19/89/24/557198924.db2.gz UMMWBYAAIKYUCR-UHFFFAOYSA-N 0 0 425.513 5.220 50 0 IKAARN CCOc1ccc2nc(S[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3=O)sc2c1 ZINC000096318795 557199063 /nfs/dbraw/zinc/19/90/63/557199063.db2.gz KYDZOPNARDTNCJ-KRWDZBQOSA-N 0 0 432.954 5.081 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(C(=O)c2ccccn2)c2ccc(O)cc2)CCCCC1 ZINC000000792645 557199660 /nfs/dbraw/zinc/19/96/60/557199660.db2.gz DMBIRASWSCQRPG-UHFFFAOYSA-N 0 0 443.547 5.392 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1cccs1 ZINC000100901979 557199692 /nfs/dbraw/zinc/19/96/92/557199692.db2.gz VTHCPAGNJDAITO-GOSISDBHSA-N 0 0 433.924 5.301 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccccc1 ZINC000000793651 557200629 /nfs/dbraw/zinc/20/06/29/557200629.db2.gz XCISRFVHVHZCBT-UHFFFAOYSA-N 0 0 440.240 5.352 50 0 IKAARN CC[S@@](=O)c1ccccc1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000025256499 557201458 /nfs/dbraw/zinc/20/14/58/557201458.db2.gz JKNCNBCALPZXHQ-HKBQPEDESA-N 0 0 431.513 5.002 50 0 IKAARN O=C(n1cc(-c2ccc(-c3cccc(CO)c3)cc2)nn1)N1CCCC[C@@H]1c1ccccc1 ZINC000169340066 557201605 /nfs/dbraw/zinc/20/16/05/557201605.db2.gz GICNKPZHUCVFNM-AREMUKBSSA-N 0 0 438.531 5.300 50 0 in-vitro IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000025275368 557202097 /nfs/dbraw/zinc/20/20/97/557202097.db2.gz ZPMQZTOOFMEJSK-UHFFFAOYSA-N 0 0 429.567 5.251 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000025277053 557202511 /nfs/dbraw/zinc/20/25/11/557202511.db2.gz KIBCXPMATZWHAA-UHFFFAOYSA-N 0 0 440.887 5.009 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C(C)C)s3)[C@H]2c2cccs2)cc1 ZINC000025323888 557203917 /nfs/dbraw/zinc/20/39/17/557203917.db2.gz ZTZRDJVYJOUDGD-APWZRJJASA-N 0 0 440.594 5.154 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025391413 557207430 /nfs/dbraw/zinc/20/74/30/557207430.db2.gz HYRGGIUKYGYYIA-UHFFFAOYSA-N 0 0 437.543 5.362 50 0 IKAARN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N[C@@H]1CCCc2ccccc21 ZINC000025395225 557207638 /nfs/dbraw/zinc/20/76/38/557207638.db2.gz RABBJBVCRXHFAI-JOCHJYFZSA-N 0 0 445.950 5.463 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025392576 557207689 /nfs/dbraw/zinc/20/76/89/557207689.db2.gz ASNKCVSKJMHYGV-UHFFFAOYSA-N 0 0 429.470 5.324 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000023308586 557208091 /nfs/dbraw/zinc/20/80/91/557208091.db2.gz FDBLQUVHECWLFR-BEFAXECRSA-N 0 0 433.474 5.498 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2 ZINC000023309174 557208211 /nfs/dbraw/zinc/20/82/11/557208211.db2.gz FPEKSGULXUOZBT-RAXRNYJGSA-N 0 0 431.576 5.394 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000011614377 557208383 /nfs/dbraw/zinc/20/83/83/557208383.db2.gz KHPKNHTYLYFZPQ-GOSISDBHSA-N 0 0 445.233 5.285 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000100967673 557208973 /nfs/dbraw/zinc/20/89/73/557208973.db2.gz FOGUVKOKUQBLPP-HRFSGMKKSA-N 0 0 426.491 6.396 50 0 IKAARN C[C@@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000025424767 557209308 /nfs/dbraw/zinc/20/93/08/557209308.db2.gz NQXCIMKMLRBXAC-PQMNFKMDSA-N 0 0 446.572 5.341 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2=Cc1cccs1)c1ccccc1 ZINC000025425152 557209319 /nfs/dbraw/zinc/20/93/19/557209319.db2.gz RHQWLVDODADEQQ-KNTRCKAVSA-N 0 0 439.536 6.213 50 0 IKAARN CCCCCOC(=O)C1=C(C)NC2=CC(=O)CC(C)(C)C2[C@H]1c1ccc(OC)cc1OC ZINC000100984713 557210004 /nfs/dbraw/zinc/21/00/04/557210004.db2.gz UURGOMRJROIRRR-QHCPKHFHSA-N 0 0 441.568 5.041 50 0 IKAARN COc1ccc(-n2c(=S)n(CN(C)[C@@H]3CCc4ccccc43)nc2-c2ccncc2)cc1 ZINC000025453233 557210448 /nfs/dbraw/zinc/21/04/48/557210448.db2.gz JEKTVLWWALSQCT-HSZRJFAPSA-N 0 0 443.576 5.051 50 0 IKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000011614354 557210802 /nfs/dbraw/zinc/21/08/02/557210802.db2.gz VVACOMSEIWXRBX-HSZRJFAPSA-N 0 0 442.515 5.754 50 0 IKAARN O=C(Nc1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1)c1ccc2ccccc2c1O ZINC000000797342 557212058 /nfs/dbraw/zinc/21/20/58/557212058.db2.gz RQZAUKPTDOLJPL-UHFFFAOYSA-N 0 0 442.858 5.252 50 0 IKAARN C=C[Si](C)(C)CCCOc1cc(-n2nc3ccc(OC)cc3n2)c(O)c(C(C)(C)C)c1 ZINC000169794006 557212213 /nfs/dbraw/zinc/21/22/13/557212213.db2.gz NAMSZFOHELZSOX-UHFFFAOYSA-N 0 0 439.632 5.635 50 0 IKAARN CN1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc32)CC1 ZINC000025514993 557212570 /nfs/dbraw/zinc/21/25/70/557212570.db2.gz AVMFCVFHSHMWAI-UHFFFAOYSA-N 0 0 434.754 5.250 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc(F)ccc2F)n1C(C)C ZINC000010227062 557212617 /nfs/dbraw/zinc/21/26/17/557212617.db2.gz YUOQNURMCUZANP-UHFFFAOYSA-N 0 0 446.523 5.064 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1c(F)cccc1Cl ZINC000023312663 557212719 /nfs/dbraw/zinc/21/27/19/557212719.db2.gz MEMQYFCKJFHLDB-VOIUYBSRSA-N 0 0 447.978 6.187 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1c(F)cccc1Cl ZINC000023312669 557212734 /nfs/dbraw/zinc/21/27/34/557212734.db2.gz MEMQYFCKJFHLDB-GYCJOSAFSA-N 0 0 447.978 6.187 50 0 IKAARN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000011617270 557212891 /nfs/dbraw/zinc/21/28/91/557212891.db2.gz XHWBWKJGHUYPNO-UHFFFAOYSA-N 0 0 444.512 5.526 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc(Cl)cc1Cl ZINC000011617276 557212986 /nfs/dbraw/zinc/21/29/86/557212986.db2.gz IZBADQLAVLFCFW-UHFFFAOYSA-N 0 0 434.167 6.193 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccccc1 ZINC000101010449 557213324 /nfs/dbraw/zinc/21/33/24/557213324.db2.gz WVUVANWOBPUONT-NRFANRHFSA-N 0 0 445.885 5.379 50 0 IKAARN COc1cccc(NC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)c1 ZINC000011617425 557213406 /nfs/dbraw/zinc/21/34/06/557213406.db2.gz MOBQEVDZEYFTON-UHFFFAOYSA-N 0 0 435.574 6.556 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc(Br)cc3)=NN1C1(CCCCC1)O2 ZINC000025558597 557213985 /nfs/dbraw/zinc/21/39/85/557213985.db2.gz AIAMFFAXZFBPCQ-IBGZPJMESA-N 0 0 431.761 6.306 50 0 IKAARN CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558657 557214139 /nfs/dbraw/zinc/21/41/39/557214139.db2.gz ICVHYTCZBQRDJR-MSOLQXFVSA-N 0 0 440.168 6.426 50 0 IKAARN O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)cc(Cc2ccccc2)c1O ZINC000025560463 557214808 /nfs/dbraw/zinc/21/48/08/557214808.db2.gz RDDSTDREQIMRSH-UHFFFAOYSA-N 0 0 441.141 6.849 50 0 IKAARN CC(=O)O[C@H](C(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 ZINC000023314330 557215031 /nfs/dbraw/zinc/21/50/31/557215031.db2.gz LUHRBUHRQPPHNV-NDEPHWFRSA-N 0 0 441.571 5.829 50 0 IKAARN CCCc1nc2c(c(-c3ccccc3)nn2Cc2ccccc2)c2cc(OC)c(OC)cc21 ZINC000025573172 557215289 /nfs/dbraw/zinc/21/52/89/557215289.db2.gz JUDKWSVNZMSGAL-UHFFFAOYSA-N 0 0 437.543 6.270 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000025572843 557215421 /nfs/dbraw/zinc/21/54/21/557215421.db2.gz JTIQCFQQNRVMPY-YLJYHZDGSA-N 0 0 429.314 5.892 50 0 IKAARN O=C(Cc1nnc(=S)[nH]c1CC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000025574157 557215443 /nfs/dbraw/zinc/21/54/43/557215443.db2.gz AVUQFLNYQHMIQN-UHFFFAOYSA-N 0 0 449.535 5.318 50 0 IKAARN Clc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000025575472 557215641 /nfs/dbraw/zinc/21/56/41/557215641.db2.gz LJSOACZAHXWTPC-GOTSBHOMSA-N 0 0 447.325 5.798 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C2CCCCC2)cc1OC ZINC000025579208 557215913 /nfs/dbraw/zinc/21/59/13/557215913.db2.gz QKDUEKXZCOGSAB-GBXCKJPGSA-N 0 0 426.944 5.807 50 0 IKAARN CCCC[C@@H](CC)COCCCNC(=O)c1cncn1-c1ccc(-c2ccccc2C)cc1 ZINC000023318161 557216164 /nfs/dbraw/zinc/21/61/64/557216164.db2.gz ZCQZWQFHCNQFIF-HSZRJFAPSA-N 0 0 447.623 6.201 50 0 IKAARN COc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000025581480 557216257 /nfs/dbraw/zinc/21/62/57/557216257.db2.gz FQJQRHZXOKZFGR-NFBKMPQASA-N 0 0 425.315 6.244 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(-c2ccc(Br)cc2)cc1 ZINC000025580710 557216352 /nfs/dbraw/zinc/21/63/52/557216352.db2.gz PDNXLLDXMJPQCY-UHFFFAOYSA-N 0 0 436.227 6.746 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000025582218 557216627 /nfs/dbraw/zinc/21/66/27/557216627.db2.gz RPTPQDRMGKSWJG-ZEQKJWHPSA-N 0 0 430.504 5.345 50 0 IKAARN CCc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000025582111 557216681 /nfs/dbraw/zinc/21/66/81/557216681.db2.gz SHHLEVRNEZZXGT-ILBGXUMGSA-N 0 0 447.376 6.562 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000025582857 557216887 /nfs/dbraw/zinc/21/68/87/557216887.db2.gz WPDKSIHFDSWLRC-RBBKRZOGSA-N 0 0 441.275 5.970 50 0 IKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(OC)c1OC)O2 ZINC000025582918 557216898 /nfs/dbraw/zinc/21/68/98/557216898.db2.gz YOBSMYXMJKDADT-ATIYNZHBSA-N 0 0 430.504 5.345 50 0 IKAARN COc1cc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000025583171 557216908 /nfs/dbraw/zinc/21/69/08/557216908.db2.gz HJWQVJMHMFWSQI-CJFMBICVSA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)cc3)=NN21 ZINC000025582711 557216933 /nfs/dbraw/zinc/21/69/33/557216933.db2.gz YCTWYGIHODUDOI-XUZZJYLKSA-N 0 0 449.348 6.008 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc(OC)c1OC ZINC000025583281 557217275 /nfs/dbraw/zinc/21/72/75/557217275.db2.gz HWZPWUIKELGLAI-NLFFAJNJSA-N 0 0 434.467 5.094 50 0 IKAARN Cc1ccc2nc(NC(=O)CSc3c4ccccc4[nH]c3-c3ccccc3)sc2c1 ZINC000011634439 557217465 /nfs/dbraw/zinc/21/74/65/557217465.db2.gz GOARGIJBZJTZKM-UHFFFAOYSA-N 0 0 429.570 6.484 50 0 IKAARN CC[C@@H]1CCCC[N@@H+]1C[C@H](C(C)=O)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025586042 557217557 /nfs/dbraw/zinc/21/75/57/557217557.db2.gz NMNHSZRPCOBOLX-KIFXHHALSA-N 0 0 433.548 5.100 50 0 IKAARN Cc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)n1Cc1ccco1 ZINC000025613518 557219410 /nfs/dbraw/zinc/21/94/10/557219410.db2.gz GQTRCDAJOYJIOG-UHFFFAOYSA-N 0 0 428.492 5.643 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000025613820 557219585 /nfs/dbraw/zinc/21/95/85/557219585.db2.gz OPEVBYZQSASMLT-FQEVSTJZSA-N 0 0 448.548 5.026 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)CSC(c2ccccc2)c2ccccc2)cc1OC ZINC000025613780 557219666 /nfs/dbraw/zinc/21/96/66/557219666.db2.gz OZSITUPIGKHHJB-QHCPKHFHSA-N 0 0 447.600 5.890 50 0 IKAARN COC(=O)c1nc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n(Cc2ccccc2)c1C ZINC000218916734 557220969 /nfs/dbraw/zinc/22/09/69/557220969.db2.gz KTYKWYPAMJANAX-QFIPXVFZSA-N 0 0 449.551 5.040 50 0 IKAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1sc2ccccc2c1Cl ZINC000018019813 557222172 /nfs/dbraw/zinc/22/21/72/557222172.db2.gz VVYRRXFIGILJSK-UHFFFAOYSA-N 0 0 437.746 5.028 50 0 IKAARN O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000005773046 557222257 /nfs/dbraw/zinc/22/22/57/557222257.db2.gz LPJXFAKDZHREQX-UHFFFAOYSA-N 0 0 425.528 6.107 50 0 IKAARN CCOc1cc2ccccc2cc1C(O)(c1ccccc1)c1cc2ccccc2cc1OCC ZINC000025694585 557222295 /nfs/dbraw/zinc/22/22/95/557222295.db2.gz KCJQNFXJLYSQAD-UHFFFAOYSA-N 0 0 448.562 7.075 50 0 IKAARN O=C(CSc1ccccc1)N(CCCn1ccnc1)c1nc2c(cccc2Cl)s1 ZINC000010579173 557223370 /nfs/dbraw/zinc/22/33/70/557223370.db2.gz GZDNKJWIVKEEBZ-UHFFFAOYSA-N 0 0 442.997 5.362 50 0 IKAARN c1sc(-c2ccccc2)nc1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000025746503 557223833 /nfs/dbraw/zinc/22/38/33/557223833.db2.gz TUMXOGADPFYQIV-UHFFFAOYSA-N 0 0 447.633 5.338 50 0 IKAARN O=C(c1sccc1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025748048 557224277 /nfs/dbraw/zinc/22/42/77/557224277.db2.gz VUEXDFWQOJHNDQ-UHFFFAOYSA-N 0 0 438.596 5.963 50 0 IKAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Nc4ccc(F)c(Cl)c4)c23)C1 ZINC000025764427 557224907 /nfs/dbraw/zinc/22/49/07/557224907.db2.gz VCTGSGFPDZJRFC-ZDUSSCGKSA-N 0 0 446.979 5.184 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(Br)cc3)C2)cc1C ZINC000101071636 557225096 /nfs/dbraw/zinc/22/50/96/557225096.db2.gz FVCBECBRWBVZJX-HSZRJFAPSA-N 0 0 430.349 6.472 50 0 IKAARN CC(C)c1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000101071642 557225214 /nfs/dbraw/zinc/22/52/14/557225214.db2.gz UAKROZGRBNIJIQ-DEOSSOPVSA-N 0 0 444.376 6.978 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000025782594 557225685 /nfs/dbraw/zinc/22/56/85/557225685.db2.gz BTQABEHTWQHGQV-IRLDBZIGSA-N 0 0 431.269 6.514 50 0 IKAARN Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000025783757 557226103 /nfs/dbraw/zinc/22/61/03/557226103.db2.gz FQYHPBCXTOWINF-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@@H](c3ccccc3F)C21 ZINC000025783915 557226449 /nfs/dbraw/zinc/22/64/49/557226449.db2.gz WNISQGAYTJXXDB-BJKOFHAPSA-N 0 0 444.897 5.592 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1sc2ccccc2c1C ZINC000011653555 557227237 /nfs/dbraw/zinc/22/72/37/557227237.db2.gz NJSIRWUHPJDEFE-UHFFFAOYSA-N 0 0 446.528 5.732 50 0 IKAARN COc1ccc(OC)c(CN(C(=O)c2sc3nc(C4CC4)nc(C)c3c2C)C2CC2)c1 ZINC000025809751 557227439 /nfs/dbraw/zinc/22/74/39/557227439.db2.gz XBJJHCLZEUHLPT-UHFFFAOYSA-N 0 0 437.565 5.008 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1 ZINC000018026545 557228821 /nfs/dbraw/zinc/22/88/21/557228821.db2.gz LJVPQOXBRSSMDU-KRWDZBQOSA-N 0 0 426.513 5.143 50 0 IKAARN O=C(COc1cccc(Oc2ccccn2)c1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025904461 557229777 /nfs/dbraw/zinc/22/97/77/557229777.db2.gz IGZPHNAGOLYBBE-AREMUKBSSA-N 0 0 442.540 5.489 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc3cccnc31)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018033487 557230366 /nfs/dbraw/zinc/23/03/66/557230366.db2.gz TZTZHUYTZKHNCN-PZXVYJQKSA-N 0 0 430.507 5.478 50 0 IKAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000025917986 557230357 /nfs/dbraw/zinc/23/03/57/557230357.db2.gz QBAHGYYNRCDKOM-DVECYGJZSA-N 0 0 428.561 5.320 50 0 IKAARN Cc1ccc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c(Cl)c1 ZINC000032949935 557231334 /nfs/dbraw/zinc/23/13/34/557231334.db2.gz QZSKKNPYQYNYSS-UHFFFAOYSA-N 0 0 437.853 5.281 50 0 IKAARN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000023320755 557231918 /nfs/dbraw/zinc/23/19/18/557231918.db2.gz KJCXKXLMAFJKBO-ICSRJNTNSA-N 0 0 430.426 5.228 50 0 IKAARN O=C(c1ccccc1OC(F)(F)F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023321092 557232285 /nfs/dbraw/zinc/23/22/85/557232285.db2.gz VEXOTNYLWWQNML-UHFFFAOYSA-N 0 0 439.477 6.347 50 0 IKAARN Cc1cccc(CNC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023321118 557232314 /nfs/dbraw/zinc/23/23/14/557232314.db2.gz PZZCUTDCTJSMOW-RUZDIDTESA-N 0 0 433.983 5.265 50 0 IKAARN COc1ccc2nc(-c3ccc(NC(=O)C4c5ccccc5Oc5ccccc54)cc3)cn2n1 ZINC000011693507 557232525 /nfs/dbraw/zinc/23/25/25/557232525.db2.gz GLOBKJZJNBGIEJ-UHFFFAOYSA-N 0 0 448.482 5.281 50 0 IKAARN CC(C)OCCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023321267 557232672 /nfs/dbraw/zinc/23/26/72/557232672.db2.gz XOSHBTBAECSXLX-UHFFFAOYSA-N 0 0 432.351 5.595 50 0 IKAARN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098071669 557233033 /nfs/dbraw/zinc/23/30/33/557233033.db2.gz FJFQMVMTZYRNDE-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072884 557233230 /nfs/dbraw/zinc/23/32/30/557233230.db2.gz ZOWKAPRVUODBDK-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073019 557233243 /nfs/dbraw/zinc/23/32/43/557233243.db2.gz ZQCZSCSRXSMBRR-UHFFFAOYSA-N 0 0 448.182 5.288 50 0 IKAARN CC(C)(C)c1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098073014 557233331 /nfs/dbraw/zinc/23/33/31/557233331.db2.gz KZFKOALZGPUGKX-UHFFFAOYSA-N 0 0 436.293 5.566 50 0 IKAARN CCCCc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000098072960 557233338 /nfs/dbraw/zinc/23/33/38/557233338.db2.gz AHLNQJSPFVPXCK-UHFFFAOYSA-N 0 0 436.293 5.611 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072947 557233380 /nfs/dbraw/zinc/23/33/80/557233380.db2.gz NBJBOILLMOMOCJ-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1 ZINC000032950130 557233703 /nfs/dbraw/zinc/23/37/03/557233703.db2.gz YIBXZROQEKMRGQ-UHFFFAOYSA-N 0 0 441.535 5.284 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018043686 557234308 /nfs/dbraw/zinc/23/43/08/557234308.db2.gz QNLQEZCOMBQHPE-CEXWTWQISA-N 0 0 445.327 5.106 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2ccc(Br)o2)c2c[nH]c3ccccc32)cc1 ZINC000018074539 557235354 /nfs/dbraw/zinc/23/53/54/557235354.db2.gz UBUKYMNYGUVPPJ-KRWDZBQOSA-N 0 0 439.309 5.094 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000018084572 557235639 /nfs/dbraw/zinc/23/56/39/557235639.db2.gz LRFOMTBZDPFEEH-GASCZTMLSA-N 0 0 438.597 5.711 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000098212631 557235659 /nfs/dbraw/zinc/23/56/59/557235659.db2.gz QTIYUOAMWSANJG-UHFFFAOYSA-N 0 0 436.987 5.426 50 0 IKAARN COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3ccoc3C)o2)cs1 ZINC000026129254 557235828 /nfs/dbraw/zinc/23/58/28/557235828.db2.gz GTLVGIOAEZUDNJ-UHFFFAOYSA-N 0 0 442.522 5.080 50 0 IKAARN O=C(CSc1cccc2cccc(Cl)c21)NCCc1nccn1Cc1ccccc1 ZINC000026215856 557237469 /nfs/dbraw/zinc/23/74/69/557237469.db2.gz ZDIZDEYHIVGBEE-UHFFFAOYSA-N 0 0 435.980 5.189 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3N=C(c3ccc(Br)s3)CC2=O)c1 ZINC000101089859 557237551 /nfs/dbraw/zinc/23/75/51/557237551.db2.gz DUQWBTREZMFWKO-UHFFFAOYSA-N 0 0 439.378 6.185 50 0 IKAARN Cc1cc(=O)[nH]c(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2Cl)n1 ZINC000018114098 557237572 /nfs/dbraw/zinc/23/75/72/557237572.db2.gz LULXDVCKNIDTEZ-UHFFFAOYSA-N 0 0 430.316 5.045 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000032950686 557237710 /nfs/dbraw/zinc/23/77/10/557237710.db2.gz QLHHXGFDFNFGIU-UHFFFAOYSA-N 0 0 438.890 5.326 50 0 IKAARN C[C@@H](c1nn(CN2CCC[C@@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C ZINC000026240790 557237777 /nfs/dbraw/zinc/23/77/77/557237777.db2.gz JIXVFDDGRDNDAW-HRAATJIYSA-N 0 0 443.567 5.099 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)c1 ZINC000032950875 557238096 /nfs/dbraw/zinc/23/80/96/557238096.db2.gz HIQDRJBFMVCPEC-UHFFFAOYSA-N 0 0 442.519 5.010 50 0 IKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 ZINC000026433287 557241058 /nfs/dbraw/zinc/24/10/58/557241058.db2.gz GBVAFPLGIPAILV-CYBMUJFWSA-N 0 0 428.901 5.514 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCc3ccccc3Cl)[C@H]2C2=C1CCC2 ZINC000026464419 557241922 /nfs/dbraw/zinc/24/19/22/557241922.db2.gz SHQASUGBCQYCKT-DENIHFKCSA-N 0 0 442.053 7.063 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCc3ccc(Cl)cc3)[C@@H]2C2=C1CCC2 ZINC000026464326 557241993 /nfs/dbraw/zinc/24/19/93/557241993.db2.gz VXPUVNNOJLOVOH-SIKLNZKXSA-N 0 0 442.053 7.063 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1ccccc1 ZINC000100141893 557242585 /nfs/dbraw/zinc/24/25/85/557242585.db2.gz INOPNVAUVHXHDD-HHHXNRCGSA-N 0 0 443.591 6.011 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1ccccc1 ZINC000100141903 557242587 /nfs/dbraw/zinc/24/25/87/557242587.db2.gz USGQSXKQMPPQEB-DEOSSOPVSA-N 0 0 428.557 6.854 50 0 IKAARN Cc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1C ZINC000032951338 557242908 /nfs/dbraw/zinc/24/29/08/557242908.db2.gz QLJAGQWDYFDAET-UHFFFAOYSA-N 0 0 430.577 6.301 50 0 IKAARN CCc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(Sc3ccc(C)cc3)nn2)C1 ZINC000032951483 557244434 /nfs/dbraw/zinc/24/44/34/557244434.db2.gz MZKUTBRTYWFJET-FQEVSTJZSA-N 0 0 432.593 5.354 50 0 IKAARN O=C(NCCn1c(CCc2ccccc2)nc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000032951474 557244496 /nfs/dbraw/zinc/24/44/96/557244496.db2.gz MLWJVAVMYPPDAJ-UHFFFAOYSA-N 0 0 436.918 5.436 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccc(C)cc1)(N1CCCC1)C(C)(C)C ZINC000005682963 557245639 /nfs/dbraw/zinc/24/56/39/557245639.db2.gz XLHFKNQBXCXEGZ-HKBQPEDESA-N 0 0 434.568 6.765 50 0 IKAARN CCCCCn1cc(C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c2ccccc21 ZINC000023321851 557245720 /nfs/dbraw/zinc/24/57/20/557245720.db2.gz YCEWRVKQGFROSY-UHFFFAOYSA-N 0 0 434.580 5.869 50 0 IKAARN CCOc1ccc2nc(Sc3c(=O)[nH]c4ccccc4c3-c3ccccc3)sc2c1 ZINC000018180908 557245953 /nfs/dbraw/zinc/24/59/53/557245953.db2.gz GQTMWOGFXDQBDQ-UHFFFAOYSA-N 0 0 430.554 6.355 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023321909 557245992 /nfs/dbraw/zinc/24/59/92/557245992.db2.gz PZGOXKFOHYIBBE-XMMPIXPASA-N 0 0 437.946 5.096 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000018185021 557246646 /nfs/dbraw/zinc/24/66/46/557246646.db2.gz FWAVLPGEGLPJTF-UHFFFAOYSA-N 0 0 444.000 5.144 50 0 IKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)c1ccc(Br)cc1 ZINC000026687851 557246797 /nfs/dbraw/zinc/24/67/97/557246797.db2.gz XWOWDGOPDYZRAZ-UHFFFAOYSA-N 0 0 426.701 5.670 50 0 IKAARN COc1ccc(CCNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1OC ZINC000026688181 557246803 /nfs/dbraw/zinc/24/68/03/557246803.db2.gz WEJXXHSJIWCSGU-UHFFFAOYSA-N 0 0 444.767 5.851 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)cc1 ZINC000026688101 557246824 /nfs/dbraw/zinc/24/68/24/557246824.db2.gz PZSLBUGXMPYPSR-UHFFFAOYSA-N 0 0 443.996 7.061 50 0 IKAARN Cc1cccn2c1nc(-c1ccc(Cl)cc1)c2NC(=O)c1ccc(Br)cc1 ZINC000026687854 557246853 /nfs/dbraw/zinc/24/68/53/557246853.db2.gz OFHBBMSIGVGCTH-UHFFFAOYSA-N 0 0 440.728 5.978 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(I)c1 ZINC000013940223 557247148 /nfs/dbraw/zinc/24/71/48/557247148.db2.gz RKNLALCZLVVMND-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN O=C(c1csc(-c2cccs2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000026768760 557247836 /nfs/dbraw/zinc/24/78/36/557247836.db2.gz XFQSBAXQUOILIT-CYBMUJFWSA-N 0 0 427.576 5.307 50 0 IKAARN Cc1cccc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(-c3ccccc3)nc12 ZINC000018196188 557247935 /nfs/dbraw/zinc/24/79/35/557247935.db2.gz COUWNUBQSRTSKS-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)no1 ZINC000014776164 557249749 /nfs/dbraw/zinc/24/97/49/557249749.db2.gz JAAHUMHYFSONIO-UHFFFAOYSA-N 0 0 440.912 5.295 50 0 IKAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2SC[C@@H]2CCCO2)cs1 ZINC000026884526 557250161 /nfs/dbraw/zinc/25/01/61/557250161.db2.gz OCTZDAYDMRQWSA-IBGZPJMESA-N 0 0 436.602 5.593 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1F ZINC000012651108 557251537 /nfs/dbraw/zinc/25/15/37/557251537.db2.gz DYDHTLQZFPIEED-UHFFFAOYSA-N 0 0 432.398 5.781 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCc3ccc(F)cc3)[C@H]2C2=C1CCC2 ZINC000026960027 557252424 /nfs/dbraw/zinc/25/24/24/557252424.db2.gz NXDVBQMZXBFQBS-KNQAVFIVSA-N 0 0 425.598 6.549 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4cc(C)ccc4C)n(C)c(=O)c3sc2=S)cc1 ZINC000032952663 557253105 /nfs/dbraw/zinc/25/31/05/557253105.db2.gz XFNXJSCUQUAAMB-UHFFFAOYSA-N 0 0 439.631 5.733 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4ccccc4Cl)n(C)c(=O)c3sc2=S)cc1 ZINC000032952650 557253266 /nfs/dbraw/zinc/25/32/66/557253266.db2.gz SHDUJXXXVYOJTB-UHFFFAOYSA-N 0 0 446.022 5.769 50 0 IKAARN O=C(Nc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000026967937 557253295 /nfs/dbraw/zinc/25/32/95/557253295.db2.gz IRSZOGPNZYKHPK-ZIADKAODSA-N 0 0 447.563 6.691 50 0 IKAARN COc1ccccc1C(=O)N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000027016275 557253892 /nfs/dbraw/zinc/25/38/92/557253892.db2.gz XOZVQGZENRYJGY-OAHLLOKOSA-N 0 0 425.164 5.567 50 0 IKAARN COCCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000027016027 557253930 /nfs/dbraw/zinc/25/39/30/557253930.db2.gz FYVPCBNZPSMSPQ-IZHYLOQSSA-N 0 0 433.533 5.331 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCCC1)c1ccccc1Br ZINC000101095873 557254304 /nfs/dbraw/zinc/25/43/04/557254304.db2.gz VVORNLBRXMXPPX-UHFFFAOYSA-N 0 0 441.325 5.552 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000101095350 557254317 /nfs/dbraw/zinc/25/43/17/557254317.db2.gz MSNNQQHEPUCDQI-UHFFFAOYSA-N 0 0 449.507 5.358 50 0 IKAARN O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000018254992 557254654 /nfs/dbraw/zinc/25/46/54/557254654.db2.gz SVQXIBDFHCRWQU-UHFFFAOYSA-N 0 0 441.441 5.072 50 0 IKAARN COc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000027019776 557254914 /nfs/dbraw/zinc/25/49/14/557254914.db2.gz KVVCESZYVIJGTJ-UHFFFAOYSA-N 0 0 436.316 5.038 50 0 IKAARN CC(C)c1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000101100834 557255356 /nfs/dbraw/zinc/25/53/56/557255356.db2.gz UTUXYEJOPKXLGJ-DEOSSOPVSA-N 0 0 444.376 6.978 50 0 IKAARN CC(C)c1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000101100832 557255414 /nfs/dbraw/zinc/25/54/14/557255414.db2.gz UTUXYEJOPKXLGJ-XMMPIXPASA-N 0 0 444.376 6.978 50 0 IKAARN Brc1cccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c1 ZINC000101100868 557255557 /nfs/dbraw/zinc/25/55/57/557255557.db2.gz OSXIYGBLZPUGNF-QFIPXVFZSA-N 0 0 429.321 5.764 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3nc(-c4cccs4)cs3)cs2)cc1OC ZINC000027124086 557257226 /nfs/dbraw/zinc/25/72/26/557257226.db2.gz BMQVAADXBFPOIN-UHFFFAOYSA-N 0 0 429.548 5.265 50 0 IKAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000027125034 557257295 /nfs/dbraw/zinc/25/72/95/557257295.db2.gz NMLIRZHZVVFJPM-FOHRATBMSA-N 0 0 447.538 5.752 50 0 IKAARN COc1ccc(Nc2nc(NC3CCCCC3)nc(NC3CCCCC3)n2)c(OC)c1 ZINC000000817374 557258256 /nfs/dbraw/zinc/25/82/56/557258256.db2.gz HPMATCKSCYRHAS-UHFFFAOYSA-N 0 0 426.565 5.122 50 0 IKAARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1OC ZINC000101166647 557258328 /nfs/dbraw/zinc/25/83/28/557258328.db2.gz HQYDOCULSQZABA-QHCPKHFHSA-N 0 0 441.531 5.475 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2cc(Oc3ccccc3)ccc2[nH]1 ZINC000027169011 557258498 /nfs/dbraw/zinc/25/84/98/557258498.db2.gz PHZAOMPKNAFHEN-UHFFFAOYSA-N 0 0 434.495 6.792 50 0 IKAARN CC[C@H](C)n1c(SCc2nnc(C(C)(C)C)o2)nc2sc3c(c2c1=O)CCCCC3 ZINC000027224427 557258821 /nfs/dbraw/zinc/25/88/21/557258821.db2.gz ZHJQUZRXYFVOOQ-ZDUSSCGKSA-N 0 0 446.642 5.671 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000100427119 557260689 /nfs/dbraw/zinc/26/06/89/557260689.db2.gz GJOLVIJGYYPNSF-UZTOHYMASA-N 0 0 428.507 6.772 50 0 IKAARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100425611 557260693 /nfs/dbraw/zinc/26/06/93/557260693.db2.gz FQZCNALJCICLHL-XHCCPWGMSA-N 0 0 426.516 6.333 50 0 IKAARN N=c1c2c(ncn1CCCn1ccnc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000101122416 557260764 /nfs/dbraw/zinc/26/07/64/557260764.db2.gz BJELJSWSHVKLFU-HSZRJFAPSA-N 0 0 433.515 5.088 50 0 IKAARN Nc1nc(CN2CCC(c3nc4ccccc4s3)CC2)nc2sc3c(c21)CCCC3 ZINC000027354662 557260871 /nfs/dbraw/zinc/26/08/71/557260871.db2.gz MUYXFWVHTJIZCJ-UHFFFAOYSA-N 0 0 435.622 5.142 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 ZINC000100429360 557261202 /nfs/dbraw/zinc/26/12/02/557261202.db2.gz YQRBNQVNMVZFGP-PPHZAIPVSA-N 0 0 426.516 6.333 50 0 IKAARN COc1ccc(-c2oc3ncn(Cc4ccco4)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000100491479 557262255 /nfs/dbraw/zinc/26/22/55/557262255.db2.gz YKKMJJGWUMHXHZ-UHFFFAOYSA-N 0 0 427.460 5.101 50 0 IKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000012843322 557262376 /nfs/dbraw/zinc/26/23/76/557262376.db2.gz BKHOAWSNMREGQD-ZZXKWVIFSA-N 0 0 437.746 5.681 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1Cl ZINC000012843151 557262494 /nfs/dbraw/zinc/26/24/94/557262494.db2.gz YISLDXQGRCPAHH-UHFFFAOYSA-N 0 0 437.946 5.362 50 0 IKAARN CCC(CC)(NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000072271075 557262869 /nfs/dbraw/zinc/26/28/69/557262869.db2.gz LOMMWWRKWQQHDJ-UHFFFAOYSA-N 0 0 436.339 5.787 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccc(OC(F)(F)F)cc3)n2)cc1OC ZINC000027533634 557264475 /nfs/dbraw/zinc/26/44/75/557264475.db2.gz LNIMPYPYABJSLA-UHFFFAOYSA-N 0 0 441.409 5.956 50 0 IKAARN COc1cc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc(OC)c1OC ZINC000027580241 557266475 /nfs/dbraw/zinc/26/64/75/557266475.db2.gz IUNQQJDLMKMSRQ-UHFFFAOYSA-N 0 0 434.536 5.252 50 0 IKAARN Cc1c(C(=O)Nc2nonc2-c2ccc(Br)cc2)oc2cc(C)cc(C)c12 ZINC000027582968 557266479 /nfs/dbraw/zinc/26/64/79/557266479.db2.gz USSDWKPPNPYTFY-UHFFFAOYSA-N 0 0 426.270 5.423 50 0 IKAARN COc1ccc(CN(C(=O)c2oc3c(cc(C)cc3C)c2C)c2ccccn2)cc1OC ZINC000027581188 557266522 /nfs/dbraw/zinc/26/65/22/557266522.db2.gz ONYKYRBSZCIHMQ-UHFFFAOYSA-N 0 0 430.504 5.617 50 0 IKAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000027585423 557266842 /nfs/dbraw/zinc/26/68/42/557266842.db2.gz VHTGBNJQGWEEEP-UHFFFAOYSA-N 0 0 443.334 6.081 50 0 IKAARN Cc1cc(Nc2ccc(Br)cc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585632 557266858 /nfs/dbraw/zinc/26/68/58/557266858.db2.gz ALDLZHBGIBFGKU-UHFFFAOYSA-N 0 0 447.258 6.230 50 0 IKAARN Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585729 557266882 /nfs/dbraw/zinc/26/68/82/557266882.db2.gz HZQIJSAZASUIHD-UHFFFAOYSA-N 0 0 437.252 6.774 50 0 IKAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000011024014 557267635 /nfs/dbraw/zinc/26/76/35/557267635.db2.gz OWZXVJOEYXUEFJ-NRFANRHFSA-N 0 0 440.341 5.286 50 0 IKAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)cc1 ZINC000011024015 557267901 /nfs/dbraw/zinc/26/79/01/557267901.db2.gz OWZXVJOEYXUEFJ-OAQYLSRUSA-N 0 0 440.341 5.286 50 0 IKAARN CC[C@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl ZINC000000823214 557268774 /nfs/dbraw/zinc/26/87/74/557268774.db2.gz VOOLDIGNBZELOQ-BEFAXECRSA-N 0 0 439.364 5.595 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000027662286 557268812 /nfs/dbraw/zinc/26/88/12/557268812.db2.gz DGVVHFVLNMRJBD-UHFFFAOYSA-N 0 0 446.528 6.116 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@]32CCCC(=O)C2)cc1 ZINC000100670836 557269079 /nfs/dbraw/zinc/26/90/79/557269079.db2.gz KUPWZHCHUWAHLW-UNMCSNQZSA-N 0 0 425.326 5.623 50 0 IKAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000024957351 557269471 /nfs/dbraw/zinc/26/94/71/557269471.db2.gz ORMHSBHMACFMAI-UHFFFAOYSA-N 0 0 432.545 5.573 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000027664484 557270192 /nfs/dbraw/zinc/27/01/92/557270192.db2.gz LSHGEAOTFUNZRJ-QGZVFWFLSA-N 0 0 444.487 5.408 50 0 IKAARN COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1OC ZINC000027664552 557270576 /nfs/dbraw/zinc/27/05/76/557270576.db2.gz VBGFVKOHXHMGCZ-QGZVFWFLSA-N 0 0 440.927 5.061 50 0 IKAARN CC1(C)CC(=O)C[C@@]2(C1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000100720638 557271047 /nfs/dbraw/zinc/27/10/47/557271047.db2.gz UYTFVWTXOWFVPB-UWJYYQICSA-N 0 0 429.314 5.544 50 0 IKAARN CC1(C)CC(=O)C[C@]2(C1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000100720639 557271164 /nfs/dbraw/zinc/27/11/64/557271164.db2.gz UYTFVWTXOWFVPB-LAUBAEHRSA-N 0 0 429.314 5.544 50 0 IKAARN O[C@@H](Cn1c2ccccc2nc1Cc1ccc(Cl)cc1)CN1CCCc2ccccc21 ZINC000027694593 557271640 /nfs/dbraw/zinc/27/16/40/557271640.db2.gz PDTQVBZYLJVPQG-JOCHJYFZSA-N 0 0 431.967 5.094 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 ZINC000027689245 557271714 /nfs/dbraw/zinc/27/17/14/557271714.db2.gz BTFHONXGPVFKJV-LBPRGKRZSA-N 0 0 433.291 5.187 50 0 IKAARN COc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(Br)cc2)cc1 ZINC000027742256 557271902 /nfs/dbraw/zinc/27/19/02/557271902.db2.gz MUFCNKKBDKROBV-NRFANRHFSA-N 0 0 449.348 5.501 50 0 IKAARN COc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027744482 557272494 /nfs/dbraw/zinc/27/24/94/557272494.db2.gz YZFXJCJZCLAUSI-OAQYLSRUSA-N 0 0 434.923 5.157 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100731090 557272578 /nfs/dbraw/zinc/27/25/78/557272578.db2.gz RECBXZKDZRLXGY-CTNGQTDRSA-N 0 0 440.728 5.740 50 0 IKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1cc2ccccc2oc1=O 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445.559 5.597 50 0 IKAARN COc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3ccc(C)cc23)cc1 ZINC000101379397 557281448 /nfs/dbraw/zinc/28/14/48/557281448.db2.gz QIZKNTYLMJXOHR-ORIPQNMZSA-N 0 0 445.632 6.491 50 0 IKAARN C=Cc1ccc(CN2c3ccccc3N=C(c3ccc(Br)s3)CC2=O)cc1 ZINC000101375989 557281453 /nfs/dbraw/zinc/28/14/53/557281453.db2.gz RDQCEGGCZKSCBF-UHFFFAOYSA-N 0 0 437.362 6.211 50 0 IKAARN COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000101379452 557281460 /nfs/dbraw/zinc/28/14/60/557281460.db2.gz CRBOQPHZSWNMCT-BYCLXTJYSA-N 0 0 425.557 6.182 50 0 IKAARN CC1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(Cc3ccccc3)c2=S)CC1 ZINC000013097603 557282991 /nfs/dbraw/zinc/28/29/91/557282991.db2.gz CZTSXPIXOZBDRW-UHFFFAOYSA-N 0 0 434.653 6.116 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccccc3)oc3c4ccccc4sc3c2=O)cc1 ZINC000101392780 557283184 /nfs/dbraw/zinc/28/31/84/557283184.db2.gz YPOZMYZOIUNWRF-UHFFFAOYSA-N 0 0 427.481 5.936 50 0 IKAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3ccc(C)c(C)c3)N2[C@@H]1c1ccccc1 ZINC000101398822 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/nfs/dbraw/zinc/29/90/64/557299064.db2.gz MCOOUBZEWBJNEN-SNVBAGLBSA-N 0 0 428.863 5.026 50 0 IKAARN Clc1cccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)c1 ZINC000014076956 557299342 /nfs/dbraw/zinc/29/93/42/557299342.db2.gz ANKHCPVJASETAT-UHFFFAOYSA-N 0 0 429.958 5.261 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(Cl)c4)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000101835384 557301869 /nfs/dbraw/zinc/30/18/69/557301869.db2.gz DHIJRTYOERLCFW-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(Cl)cc4)nn3[C@H](c3ccccc3)C2)cc1 ZINC000101835343 557301950 /nfs/dbraw/zinc/30/19/50/557301950.db2.gz AZBCQKXJRHOYPM-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc21 ZINC000014092873 557302105 /nfs/dbraw/zinc/30/21/05/557302105.db2.gz WQRULJRMABUJAJ-UHFFFAOYSA-N 0 0 446.478 5.272 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000014093129 557302106 /nfs/dbraw/zinc/30/21/06/557302106.db2.gz GIQQZVUAVDRWDJ-IIBYNOLFSA-N 0 0 436.581 5.595 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccccc4F)nn32)cc1 ZINC000101835595 557302137 /nfs/dbraw/zinc/30/21/37/557302137.db2.gz GXXIHTHTSRHXJB-JOCHJYFZSA-N 0 0 425.467 5.034 50 0 IKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(C)cc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101835899 557302431 /nfs/dbraw/zinc/30/24/31/557302431.db2.gz LBVSQBOMJMWSDA-XMMPIXPASA-N 0 0 435.531 5.512 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(F)cc4)nn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101835913 557302488 /nfs/dbraw/zinc/30/24/88/557302488.db2.gz IPUFRQJMSBNNCR-HSZRJFAPSA-N 0 0 439.494 5.342 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000102475954 557302787 /nfs/dbraw/zinc/30/27/87/557302787.db2.gz ZFZYIBJMDUUYFX-QUGAMOGWSA-N 0 0 430.935 6.978 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(F)cc4)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836362 557302945 /nfs/dbraw/zinc/30/29/45/557302945.db2.gz QYJBHQVQXIJSJF-JOCHJYFZSA-N 0 0 443.457 5.173 50 0 IKAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2Cl)CC(c2ccccc2)=N3)c1 ZINC000101836647 557303257 /nfs/dbraw/zinc/30/32/57/557303257.db2.gz MYTQPGJTKXKUOP-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)nn32)cc1O ZINC000101915762 557303452 /nfs/dbraw/zinc/30/34/52/557303452.db2.gz ODGWEHHGTJGDDI-HXUWFJFHSA-N 0 0 430.895 5.369 50 0 IKAARN O=C(COc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1 ZINC000102531826 557303477 /nfs/dbraw/zinc/30/34/77/557303477.db2.gz WJRUKMBVQKDLLX-GOTSBHOMSA-N 0 0 439.511 5.295 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ncccc3N=C(c3ccc(C)c(C)c3)CC2=O)c(C)c1 ZINC000101880421 557304564 /nfs/dbraw/zinc/30/45/64/557304564.db2.gz OUNKZXHUFPXIRA-UHFFFAOYSA-N 0 0 440.547 5.120 50 0 IKAARN C[C@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014129688 557308147 /nfs/dbraw/zinc/30/81/47/557308147.db2.gz VIDCLXZWMHVBLU-SBNSQYLKSA-N 0 0 437.561 5.331 50 0 IKAARN O=C(CN1c2ccccc2N=C2CCC[C@@H]2C1=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000101946642 557308313 /nfs/dbraw/zinc/30/83/13/557308313.db2.gz IWBXFQISBRJAGL-ZDUSSCGKSA-N 0 0 435.833 5.217 50 0 IKAARN CC(=O)c1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1 ZINC000101948001 557308588 /nfs/dbraw/zinc/30/85/88/557308588.db2.gz CHZDAYXJQMEOEH-UHFFFAOYSA-N 0 0 445.544 5.064 50 0 IKAARN O=C1CC(c2ccc(Br)s2)=Nc2ccccc2N1Cc1cccc(Cl)c1 ZINC000101948164 557308599 /nfs/dbraw/zinc/30/85/99/557308599.db2.gz BCFJZZUGOIJOSY-UHFFFAOYSA-N 0 0 445.769 6.222 50 0 IKAARN CCOc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1 ZINC000101948053 557308608 /nfs/dbraw/zinc/30/86/08/557308608.db2.gz DWJXXCGGQBMYRW-UHFFFAOYSA-N 0 0 447.560 5.260 50 0 IKAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1F ZINC000101947965 557308657 /nfs/dbraw/zinc/30/86/57/557308657.db2.gz PBXCDHPHHVTOAC-UHFFFAOYSA-N 0 0 435.524 5.309 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000102799579 557308813 /nfs/dbraw/zinc/30/88/13/557308813.db2.gz XYAHVIMQWBBBKK-XFHNUULXSA-N 0 0 448.420 5.257 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101948344 557308877 /nfs/dbraw/zinc/30/88/77/557308877.db2.gz XJIKSUVUFXNWJH-UHFFFAOYSA-N 0 0 443.450 5.263 50 0 IKAARN O=C(Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl)c1ccc(Cl)cc1Cl ZINC000102042146 557309274 /nfs/dbraw/zinc/30/92/74/557309274.db2.gz OSRLTIMBRVXDOQ-ZIAGYGMSSA-N 0 0 449.721 5.355 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014128577 557309328 /nfs/dbraw/zinc/30/93/28/557309328.db2.gz DKVMMIIGXOHLNA-OAQYLSRUSA-N 0 0 429.900 5.494 50 0 IKAARN COc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000014141796 557310489 /nfs/dbraw/zinc/31/04/89/557310489.db2.gz AINSRFFYYAAAHI-MRXNPFEDSA-N 0 0 435.574 5.448 50 0 IKAARN CCCCCn1cc(C2CCN(C(=O)[C@@H](OC(C)=O)c3ccccc3)CC2)c2ccccc21 ZINC000023326242 557310941 /nfs/dbraw/zinc/31/09/41/557310941.db2.gz FOQOYEPEILGGHL-MHZLTWQESA-N 0 0 446.591 5.842 50 0 IKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000101998946 557311345 /nfs/dbraw/zinc/31/13/45/557311345.db2.gz MVWPTZPDKAOHEF-VWLOTQADSA-N 0 0 436.983 7.179 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000102989280 557311552 /nfs/dbraw/zinc/31/15/52/557311552.db2.gz NQJPCCAEFBFOGT-BKUYFWCQSA-N 0 0 439.298 5.642 50 0 IKAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(Cl)c2Cl)c2ccccc2)c1 ZINC000014161381 557311773 /nfs/dbraw/zinc/31/17/73/557311773.db2.gz POUGFXNJKRNWLJ-FQEVSTJZSA-N 0 0 430.287 5.539 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000102134264 557313354 /nfs/dbraw/zinc/31/33/54/557313354.db2.gz FDBXCQIAUYDMBI-WRTSTBPXSA-N 0 0 430.481 5.487 50 0 IKAARN CCc1ccc(C2=Nc3c(C(=O)Nc4ccc(C)cc4)cnn3[C@H](c3ccccc3)C2)cc1 ZINC000102133406 557313376 /nfs/dbraw/zinc/31/33/76/557313376.db2.gz QCNKOFGHUVXAOB-SANMLTNESA-N 0 0 434.543 6.062 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1OCc1ccccc1 ZINC000102153528 557313716 /nfs/dbraw/zinc/31/37/16/557313716.db2.gz RFVQVSJVUBIIBK-QFIPXVFZSA-N 0 0 444.922 5.575 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)n2)s1 ZINC000032594153 557314003 /nfs/dbraw/zinc/31/40/03/557314003.db2.gz LNJRIJUKMDGWGN-UHFFFAOYSA-N 0 0 434.502 5.742 50 0 IKAARN O=C(Nc1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1)c1ccc(Br)o1 ZINC000014181647 557314008 /nfs/dbraw/zinc/31/40/08/557314008.db2.gz DVLHEGHOTNFXQV-UHFFFAOYSA-N 0 0 443.688 5.196 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000014183747 557314193 /nfs/dbraw/zinc/31/41/93/557314193.db2.gz RXBYFTHAQAZKQU-UHFFFAOYSA-N 0 0 425.056 5.539 50 0 IKAARN FC(F)(F)[C@@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@H]2SC3=C(CCCC3)N21 ZINC000102197078 557314708 /nfs/dbraw/zinc/31/47/08/557314708.db2.gz LPNUZJDVGVVRFO-RTWAWAEBSA-N 0 0 430.499 5.591 50 0 IKAARN FC(F)(F)[C@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@@H]2SC3=C(CCCC3)N21 ZINC000102197081 557314724 /nfs/dbraw/zinc/31/47/24/557314724.db2.gz LPNUZJDVGVVRFO-LEWJYISDSA-N 0 0 430.499 5.591 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201431 557314933 /nfs/dbraw/zinc/31/49/33/557314933.db2.gz QCGNUGMOGFETOZ-UHFFFAOYSA-N 0 0 437.858 5.842 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n2CCCOC(C)C ZINC000023328096 557315765 /nfs/dbraw/zinc/31/57/65/557315765.db2.gz IYMORYKHPOWMLV-UHFFFAOYSA-N 0 0 430.545 5.460 50 0 IKAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000011667246 557315949 /nfs/dbraw/zinc/31/59/49/557315949.db2.gz COBIZKXWNBVKDI-GOSISDBHSA-N 0 0 431.536 5.497 50 0 IKAARN Cc1ccc(C(C)C)c(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 ZINC000011667238 557316012 /nfs/dbraw/zinc/31/60/12/557316012.db2.gz IGGMOHDYCDXUKI-UHFFFAOYSA-N 0 0 431.536 5.460 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@@H](C2CCCCC2)N2C(=O)N(C)[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000221561979 557317902 /nfs/dbraw/zinc/31/79/02/557317902.db2.gz OATUGQVRSFARFU-FOVJLYNBSA-N 0 0 440.609 5.172 50 0 IKAARN COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C ZINC000032922959 557318160 /nfs/dbraw/zinc/31/81/60/557318160.db2.gz RYIBQBBEQKGBLE-LFAJVZEWSA-N 0 0 438.568 5.319 50 0 IKAARN Cc1nc2cccnc2n1-c1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1Cl ZINC000032932138 557318398 /nfs/dbraw/zinc/31/83/98/557318398.db2.gz AMVXHDAYAAZUGV-UHFFFAOYSA-N 0 0 425.319 5.008 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@]3(C)CC(C)=O)cc1 ZINC000104073585 557319778 /nfs/dbraw/zinc/31/97/78/557319778.db2.gz YLSMCVTZUOBINC-JAIUKNDESA-N 0 0 429.314 5.179 50 0 IKAARN Cc1cccc(-n2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc3c2=O)c1 ZINC000033393466 557320114 /nfs/dbraw/zinc/32/01/14/557320114.db2.gz MPHNEQVQCPXXQO-UHFFFAOYSA-N 0 0 426.501 5.036 50 0 IKAARN C=Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCCOC)cc1 ZINC000032951153 557320270 /nfs/dbraw/zinc/32/02/70/557320270.db2.gz KIFUCOGWNFKDTL-UHFFFAOYSA-N 0 0 445.588 5.374 50 0 IKAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)Nc3ccc(Br)cc3C)c2c1 ZINC000032953302 557320768 /nfs/dbraw/zinc/32/07/68/557320768.db2.gz SNXHAALTHYJARH-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)ncn2)c1 ZINC000033010489 557320881 /nfs/dbraw/zinc/32/08/81/557320881.db2.gz OHLNFGVYJZAMDU-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1OC ZINC000102429892 557322059 /nfs/dbraw/zinc/32/20/59/557322059.db2.gz BKWADWSUHRLCSF-QFIPXVFZSA-N 0 0 448.548 5.259 50 0 IKAARN O=C(NCc1cccc(F)c1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035858 557322457 /nfs/dbraw/zinc/32/24/57/557322457.db2.gz OAPNEEHQEAEOSO-JOCHJYFZSA-N 0 0 431.511 5.167 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2cccc(C(=O)N3CCCCCC3)c2)C1 ZINC000033035326 557322508 /nfs/dbraw/zinc/32/25/08/557322508.db2.gz ZBPAWVLMFWPDMQ-OAQYLSRUSA-N 0 0 439.987 5.768 50 0 IKAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1Cl ZINC000033048151 557322734 /nfs/dbraw/zinc/32/27/34/557322734.db2.gz SWVHZTZSTWGMCF-UHFFFAOYSA-N 0 0 434.927 5.495 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033043001 557322789 /nfs/dbraw/zinc/32/27/89/557322789.db2.gz UYKHPSTVBCAGIA-OAHLLOKOSA-N 0 0 425.985 6.488 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Cl)c(Cl)c1 ZINC000013424538 557322876 /nfs/dbraw/zinc/32/28/76/557322876.db2.gz IYAISIXXQHKNIN-NRFANRHFSA-N 0 0 431.750 7.011 50 0 IKAARN Cc1ccc(C(=O)c2sc(Nc3ccccc3)c(S(=O)(=O)c3ccccc3)c2N)cc1 ZINC000033058244 557323053 /nfs/dbraw/zinc/32/30/53/557323053.db2.gz SHGJTOBPGZXMHU-UHFFFAOYSA-N 0 0 448.569 5.446 50 0 IKAARN CCn1c(CCc2ccccc2NS(=O)(=O)c2ccc(C(C)C)cc2)nc2ccccc21 ZINC000033116521 557324198 /nfs/dbraw/zinc/32/41/98/557324198.db2.gz SXUCKRZRRIMESG-UHFFFAOYSA-N 0 0 447.604 5.766 50 0 IKAARN CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(OC)cc3)cc2n1 ZINC000033126321 557324546 /nfs/dbraw/zinc/32/45/46/557324546.db2.gz DOUOZHQJAXYAIO-UHFFFAOYSA-N 0 0 444.579 5.234 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2ccc(C(=O)NCc3ccccc3C)cc2)n1 ZINC000033130385 557325184 /nfs/dbraw/zinc/32/51/84/557325184.db2.gz PUJSYXYFGLVLMB-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NCc3ccccc3C)c2)nn1 ZINC000033131036 557325237 /nfs/dbraw/zinc/32/52/37/557325237.db2.gz ONLOWNXUVMTVRX-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN CC1CCN(C(=O)c2ccc(Oc3nccnc3Sc3ccc(Cl)cc3)cc2)CC1 ZINC000033139878 557325711 /nfs/dbraw/zinc/32/57/11/557325711.db2.gz ZSDPTMAQZZKTSO-UHFFFAOYSA-N 0 0 439.968 5.946 50 0 IKAARN CC(C)CCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139886 557325715 /nfs/dbraw/zinc/32/57/15/557325715.db2.gz SRDMWZDKWSFXDV-UHFFFAOYSA-N 0 0 427.957 5.849 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033113324 557326111 /nfs/dbraw/zinc/32/61/11/557326111.db2.gz GCYUJALVPXKDSZ-SFHVURJKSA-N 0 0 449.580 5.073 50 0 IKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)n2)c1 ZINC000033169302 557326385 /nfs/dbraw/zinc/32/63/85/557326385.db2.gz HAOZPXTXWXOJCY-UHFFFAOYSA-N 0 0 437.293 6.233 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169261 557326401 /nfs/dbraw/zinc/32/64/01/557326401.db2.gz CQUXUMIMHNZDKH-UHFFFAOYSA-N 0 0 437.546 6.072 50 0 IKAARN O=C(CSCc1cccc(Cl)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014227555 557326440 /nfs/dbraw/zinc/32/64/40/557326440.db2.gz NOWXWLFOGMSRQS-UHFFFAOYSA-N 0 0 426.973 5.197 50 0 IKAARN COc1ccc(CNC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc1 ZINC000033169414 557326588 /nfs/dbraw/zinc/32/65/88/557326588.db2.gz IKDQXRJIXOEPAA-UHFFFAOYSA-N 0 0 427.504 5.956 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccc(C)c(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033267758 557328294 /nfs/dbraw/zinc/32/82/94/557328294.db2.gz AUKXKIPBIYOXJA-QFIPXVFZSA-N 0 0 443.547 5.756 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2cc(C)ccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000033267759 557328350 /nfs/dbraw/zinc/32/83/50/557328350.db2.gz ZAOUMKFNURNKPB-OAQYLSRUSA-N 0 0 443.547 5.756 50 0 IKAARN CC1CCN(c2ccc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc2)CC1 ZINC000033255385 557329354 /nfs/dbraw/zinc/32/93/54/557329354.db2.gz GOLXOBDTCMMEHT-UHFFFAOYSA-N 0 0 428.492 5.485 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3cccc(C)c3)no2)c1C ZINC000033296906 557330412 /nfs/dbraw/zinc/33/04/12/557330412.db2.gz YNRHCRPGVVEKNI-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN CCc1ccc(-c2noc(-c3nnn(Cc4nc(-c5ccc(C)cc5)oc4C)c3C)n2)cc1 ZINC000033296891 557330496 /nfs/dbraw/zinc/33/04/96/557330496.db2.gz PPFWGZJTKVZMSW-UHFFFAOYSA-N 0 0 440.507 5.186 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000102481053 557330557 /nfs/dbraw/zinc/33/05/57/557330557.db2.gz CUXOBOVWMVSPFU-PIIWDFAUSA-N 0 0 440.518 6.786 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000102481040 557330588 /nfs/dbraw/zinc/33/05/88/557330588.db2.gz CUXOBOVWMVSPFU-MMTVBGGISA-N 0 0 440.518 6.786 50 0 IKAARN CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cc1 ZINC000014254562 557330695 /nfs/dbraw/zinc/33/06/95/557330695.db2.gz OAKAVPYOUXEFOT-OAQYLSRUSA-N 0 0 449.507 5.747 50 0 IKAARN CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3ccccc3Cl)c2)n1 ZINC000033297737 557330702 /nfs/dbraw/zinc/33/07/02/557330702.db2.gz SPJBYFDEUOPRSH-UHFFFAOYSA-N 0 0 427.016 5.202 50 0 IKAARN CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cc1 ZINC000014254564 557330714 /nfs/dbraw/zinc/33/07/14/557330714.db2.gz OAKAVPYOUXEFOT-NRFANRHFSA-N 0 0 449.507 5.747 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@H]2[C@@H]1c1cccs1 ZINC000105264944 557330791 /nfs/dbraw/zinc/33/07/91/557330791.db2.gz VEDPLASXZAZMKR-VDYPXXKXSA-N 0 0 439.631 6.257 50 0 IKAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3Cl)c2)n1 ZINC000033297811 557330744 /nfs/dbraw/zinc/33/07/44/557330744.db2.gz RQYUNKAJIXNJPE-UHFFFAOYSA-N 0 0 445.006 5.440 50 0 IKAARN O[C@@H]1c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000105479867 557331487 /nfs/dbraw/zinc/33/14/87/557331487.db2.gz QWYCALYVYWPWLT-DVQUCECISA-N 0 0 434.535 5.006 50 0 IKAARN O=C(CCc1nc(-c2ccc(N3CCCCC3)cc2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000033283569 557331815 /nfs/dbraw/zinc/33/18/15/557331815.db2.gz DTUAFSUFABRGNN-UHFFFAOYSA-N 0 0 444.457 5.317 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000033288449 557332283 /nfs/dbraw/zinc/33/22/83/557332283.db2.gz AJMATPCURCYJGI-FQEVSTJZSA-N 0 0 432.593 5.408 50 0 IKAARN COc1ccc2c(c1)c(/C=C\c1nc3ccccc3c(=O)n1-c1cccc(C)c1)c(C)n2C ZINC000033400994 557334195 /nfs/dbraw/zinc/33/41/95/557334195.db2.gz MPMQHNNPRFRXFT-SQFISAMPSA-N 0 0 435.527 5.673 50 0 IKAARN COc1ccccc1-n1c(/C=C\c2cccc(Br)c2)nc2ccccc2c1=O ZINC000033405934 557334564 /nfs/dbraw/zinc/33/45/64/557334564.db2.gz TWNQSHGFWCLDTF-YPKPFQOOSA-N 0 0 433.305 5.327 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000014348159 557334803 /nfs/dbraw/zinc/33/48/03/557334803.db2.gz AALQRGNHVWJBSD-UHFFFAOYSA-N 0 0 444.362 5.238 50 0 IKAARN CCCn1c(C)cc(-c2csc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)n2)c1C ZINC000014345326 557334932 /nfs/dbraw/zinc/33/49/32/557334932.db2.gz XGBXRDCQSBFPBJ-SFHVURJKSA-N 0 0 436.581 5.168 50 0 IKAARN COc1ccc(-n2c(S[C@@H](C)C(=O)c3cc(C)c(C)cc3C)nc3ccccc32)cc1 ZINC000014357169 557335345 /nfs/dbraw/zinc/33/53/45/557335345.db2.gz YZKUMUHQWMSCDF-IBGZPJMESA-N 0 0 430.573 6.323 50 0 IKAARN Cc1cccc(C(=O)N[C@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)c1 ZINC000000836721 557336271 /nfs/dbraw/zinc/33/62/71/557336271.db2.gz IPJIOHRDGNBNFO-QGZVFWFLSA-N 0 0 444.815 5.025 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)n1Cc1ccco1 ZINC000014360689 557336311 /nfs/dbraw/zinc/33/63/11/557336311.db2.gz VTXCPAKGWOYFSQ-UHFFFAOYSA-N 0 0 440.710 5.746 50 0 IKAARN Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000014361252 557336556 /nfs/dbraw/zinc/33/65/56/557336556.db2.gz LUMOQJUTDZKRJJ-UHFFFAOYSA-N 0 0 439.437 5.581 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)c3ccccc3n2)cc1OC ZINC000014380599 557336943 /nfs/dbraw/zinc/33/69/43/557336943.db2.gz KJPBHTUXIFYZIM-UHFFFAOYSA-N 0 0 448.548 5.221 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NC(C)(C)C)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000263621499 557337725 /nfs/dbraw/zinc/33/77/25/557337725.db2.gz BMFRSUUPDIARMS-ORHPQLPZSA-N 0 0 429.626 7.437 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CC)n(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 ZINC000023328388 557338016 /nfs/dbraw/zinc/33/80/16/557338016.db2.gz MAJSJDYVYCQBDA-VQTJNVASSA-N 0 0 447.579 5.314 50 0 IKAARN CCc1ccc(C(=O)N2CCC(c3nc(-c4c(Cl)cccc4Cl)no3)CC2)cc1 ZINC000023328557 557338044 /nfs/dbraw/zinc/33/80/44/557338044.db2.gz DHEXAGZLHMUDIK-UHFFFAOYSA-N 0 0 430.335 5.626 50 0 IKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000023328468 557338107 /nfs/dbraw/zinc/33/81/07/557338107.db2.gz GZMZTBSPCKGCOE-UHFFFAOYSA-N 0 0 436.726 5.717 50 0 IKAARN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023328961 557338314 /nfs/dbraw/zinc/33/83/14/557338314.db2.gz FBWRHFRQCJIGIB-UHFFFAOYSA-N 0 0 428.363 6.313 50 0 IKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000023329001 557338639 /nfs/dbraw/zinc/33/86/39/557338639.db2.gz XRTZUWVDMGYOQO-UHFFFAOYSA-N 0 0 434.555 6.182 50 0 IKAARN Cn1cc(C2CCN(C(=O)c3sc(Cl)c(Cl)c3Cl)CC2)c2ccccc21 ZINC000023329270 557338994 /nfs/dbraw/zinc/33/89/94/557338994.db2.gz JNZYFLJBDMBYRT-UHFFFAOYSA-N 0 0 427.784 6.220 50 0 IKAARN Cc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1F ZINC000023329486 557339357 /nfs/dbraw/zinc/33/93/57/557339357.db2.gz OETUPWCRGSPFJU-XMMPIXPASA-N 0 0 437.946 5.727 50 0 IKAARN O=C(Nc1cc(F)ccc1F)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000015005464 557339402 /nfs/dbraw/zinc/33/94/02/557339402.db2.gz RKQDZAOTZGGGQF-UHFFFAOYSA-N 0 0 429.470 5.324 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)cc1 ZINC000102529656 557340738 /nfs/dbraw/zinc/34/07/38/557340738.db2.gz FRDSONUYNMEJLB-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@@H]1C=C[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC000023330482 557340869 /nfs/dbraw/zinc/34/08/69/557340869.db2.gz WGJGIICATZSTRQ-ZJTDPSCFSA-N 0 0 441.886 5.165 50 0 IKAARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000102529993 557341185 /nfs/dbraw/zinc/34/11/85/557341185.db2.gz SHIACWZBNCUXAL-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c(C)c1 ZINC000102530172 557341800 /nfs/dbraw/zinc/34/18/00/557341800.db2.gz NKCSAFXXOQIFDE-UHFFFAOYSA-N 0 0 439.559 5.725 50 0 IKAARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1Br ZINC000024971414 557342365 /nfs/dbraw/zinc/34/23/65/557342365.db2.gz CPIPIEMXDZWBIN-UHFFFAOYSA-N 0 0 425.330 5.076 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)cc1 ZINC000102530368 557342562 /nfs/dbraw/zinc/34/25/62/557342562.db2.gz NSGIGOYELWGKLO-UHFFFAOYSA-N 0 0 447.922 5.153 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1cc(F)ccc1F ZINC000102530580 557342654 /nfs/dbraw/zinc/34/26/54/557342654.db2.gz KGPGDXKESBYHAB-UHFFFAOYSA-N 0 0 439.849 5.114 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3Cl)C(=O)C2)cc1 ZINC000102530735 557342771 /nfs/dbraw/zinc/34/27/71/557342771.db2.gz KUZOLABWRYZATG-UHFFFAOYSA-N 0 0 431.923 5.399 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(F)c3)C(=O)C2)cc1 ZINC000102530772 557342787 /nfs/dbraw/zinc/34/27/87/557342787.db2.gz NNBOHFBXFYMODE-UHFFFAOYSA-N 0 0 433.458 5.023 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C)c3C)C(=O)C2)cc1 ZINC000102530679 557342790 /nfs/dbraw/zinc/34/27/90/557342790.db2.gz MVBULQRDJLDMJP-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023331896 557343755 /nfs/dbraw/zinc/34/37/55/557343755.db2.gz CLWIEWXXWUNPSI-HSZRJFAPSA-N 0 0 441.909 5.557 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)cc2)cc1 ZINC000023331803 557343868 /nfs/dbraw/zinc/34/38/68/557343868.db2.gz LARFZMQYMAEDRH-BWKNWUBXSA-N 0 0 443.635 6.827 50 0 IKAARN CCOc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023331885 557343891 /nfs/dbraw/zinc/34/38/91/557343891.db2.gz YGZOXHUGXADODI-RUZDIDTESA-N 0 0 449.982 5.678 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Br)cc1)c1ccccc1 ZINC000023331452 557344184 /nfs/dbraw/zinc/34/41/84/557344184.db2.gz VAAZFMOHRMAPFR-LJQANCHMSA-N 0 0 440.385 6.065 50 0 IKAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)C1 ZINC000023331425 557344211 /nfs/dbraw/zinc/34/42/11/557344211.db2.gz WRILRQKKWQEZBK-HOTGVXAUSA-N 0 0 427.470 5.881 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000023332390 557344441 /nfs/dbraw/zinc/34/44/41/557344441.db2.gz FSSXBKMMLFPUPQ-XMMPIXPASA-N 0 0 439.386 5.849 50 0 IKAARN COc1ccc(-c2nc(CSCc3ccc(Cl)c(Cl)c3)cs2)cc1OC ZINC000023332250 557344622 /nfs/dbraw/zinc/34/46/22/557344622.db2.gz GJVURNFRNKJTQN-UHFFFAOYSA-N 0 0 426.390 6.568 50 0 IKAARN COc1ccc(NC(=O)c2sc(-n3nc(C)c(CCC(C)C)c3C)nc2C)c(OC)c1 ZINC000014608915 557344780 /nfs/dbraw/zinc/34/47/80/557344780.db2.gz HLOBUKIBTODLLU-UHFFFAOYSA-N 0 0 442.585 5.112 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3c(C)cccc3C)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609330 557345094 /nfs/dbraw/zinc/34/50/94/557345094.db2.gz LJWDTFDLAXWFLA-UHFFFAOYSA-N 0 0 444.604 5.643 50 0 IKAARN CCc1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)n2)cc1 ZINC000014609317 557345180 /nfs/dbraw/zinc/34/51/80/557345180.db2.gz CFAGUUPGSZXBEH-UHFFFAOYSA-N 0 0 444.604 5.588 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609331 557345184 /nfs/dbraw/zinc/34/51/84/557345184.db2.gz BMRSDNOEVAFVQY-UHFFFAOYSA-N 0 0 444.604 5.643 50 0 IKAARN COc1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)n2)c1 ZINC000014609336 557345214 /nfs/dbraw/zinc/34/52/14/557345214.db2.gz MDAHSZYTRJWGFM-UHFFFAOYSA-N 0 0 446.576 5.035 50 0 IKAARN O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000014634892 557346258 /nfs/dbraw/zinc/34/62/58/557346258.db2.gz LUOZCPDWZVQXFQ-UHFFFAOYSA-N 0 0 447.301 5.834 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)c(Cl)c1)n2CCOC ZINC000023333002 557346347 /nfs/dbraw/zinc/34/63/47/557346347.db2.gz LGQHPULTLZVAIP-UHFFFAOYSA-N 0 0 439.364 5.459 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1cncn1-c1ccc(-c2c(OC)cccc2OC)cc1 ZINC000023333071 557346749 /nfs/dbraw/zinc/34/67/49/557346749.db2.gz VNAZRECPTZUOKN-LJQANCHMSA-N 0 0 435.568 5.503 50 0 IKAARN O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023333135 557347146 /nfs/dbraw/zinc/34/71/46/557347146.db2.gz GDHAVIYERFAOMV-HLAWJBBLSA-N 0 0 431.555 5.832 50 0 IKAARN CC(C)(C)CCNC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023333355 557347398 /nfs/dbraw/zinc/34/73/98/557347398.db2.gz GIOFPHOFBUEHHX-UHFFFAOYSA-N 0 0 431.458 5.604 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1cnc2c(-c3cccc(C(F)(F)F)c3)cnn2c1C ZINC000023333550 557347401 /nfs/dbraw/zinc/34/74/01/557347401.db2.gz SKDKZSRWBVKCAX-INIZCTEOSA-N 0 0 432.490 5.670 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1 ZINC000023333554 557347404 /nfs/dbraw/zinc/34/74/04/557347404.db2.gz LTUDRNSMKBLMSC-IBGZPJMESA-N 0 0 435.568 5.503 50 0 IKAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000023333688 557347941 /nfs/dbraw/zinc/34/79/41/557347941.db2.gz VGADMLPEOFNFRC-UHFFFAOYSA-N 0 0 429.507 6.529 50 0 IKAARN O=C(c1cc(F)c(F)cc1F)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023335921 557348528 /nfs/dbraw/zinc/34/85/28/557348528.db2.gz MNEFDBOETSFUCS-HSZRJFAPSA-N 0 0 444.884 5.305 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)ccc(F)c1Cl)n2CCOC ZINC000023336334 557348765 /nfs/dbraw/zinc/34/87/65/557348765.db2.gz HTHMKIDFQVLQMJ-UHFFFAOYSA-N 0 0 440.899 5.083 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023336481 557348785 /nfs/dbraw/zinc/34/87/85/557348785.db2.gz WCLGKOIROCQSSP-UHFFFAOYSA-N 0 0 444.884 5.305 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023336112 557348834 /nfs/dbraw/zinc/34/88/34/557348834.db2.gz UTQUPTPDIIYTMF-QHCPKHFHSA-N 0 0 442.456 5.392 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N[C@@H](C)CC(C)C)cc2)n1 ZINC000023336621 557349166 /nfs/dbraw/zinc/34/91/66/557349166.db2.gz DZYKCYUTYYCHOS-IBGZPJMESA-N 0 0 433.552 5.189 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)NC(CC)CC)cc2)n1 ZINC000023336767 557349170 /nfs/dbraw/zinc/34/91/70/557349170.db2.gz SPJZGLQUEXXPQK-UHFFFAOYSA-N 0 0 433.552 5.197 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n2C(C)C ZINC000023336626 557349203 /nfs/dbraw/zinc/34/92/03/557349203.db2.gz IZQKSPFQACJAMU-UHFFFAOYSA-N 0 0 431.627 5.248 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023335202 557349904 /nfs/dbraw/zinc/34/99/04/557349904.db2.gz WOYGFZYYOISVMU-HSZRJFAPSA-N 0 0 443.349 5.680 50 0 IKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000023334984 557349961 /nfs/dbraw/zinc/34/99/61/557349961.db2.gz CDOKADPSZVBWFA-UHFFFAOYSA-N 0 0 433.430 5.329 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H]4C[C@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023335329 557350335 /nfs/dbraw/zinc/35/03/35/557350335.db2.gz CDYZSCPKLVMTTD-LPHOPBHVSA-N 0 0 435.572 5.299 50 0 IKAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)cc12 ZINC000011678190 557352136 /nfs/dbraw/zinc/35/21/36/557352136.db2.gz RPOLZKOFKWJDAM-UHFFFAOYSA-N 0 0 444.560 5.142 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC3CCCC3)c2)n(-c2cccc(C)c2)n1 ZINC000023426097 557353363 /nfs/dbraw/zinc/35/33/63/557353363.db2.gz HMCPJDDMEWNBLO-UHFFFAOYSA-N 0 0 431.536 5.543 50 0 IKAARN C[C@H](NC(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O)c1ccccc1 ZINC000023425896 557353395 /nfs/dbraw/zinc/35/33/95/557353395.db2.gz QPJKFYRPFISSTB-BDFKGGEMSA-N 0 0 448.975 5.740 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1NC(=O)C1CCC1 ZINC000023425072 557353417 /nfs/dbraw/zinc/35/34/17/557353417.db2.gz CDCADENAHOLLOP-UHFFFAOYSA-N 0 0 447.579 5.886 50 0 IKAARN O=C(c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1)N1CCCCCCC1 ZINC000023425452 557353437 /nfs/dbraw/zinc/35/34/37/557353437.db2.gz XSFFXPRILSJLAY-UHFFFAOYSA-N 0 0 427.470 5.964 50 0 IKAARN C[C@@H](NC(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O)c1ccccc1 ZINC000023425892 557353459 /nfs/dbraw/zinc/35/34/59/557353459.db2.gz QPJKFYRPFISSTB-HAFIMRKLSA-N 0 0 448.975 5.740 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023425119 557353468 /nfs/dbraw/zinc/35/34/68/557353468.db2.gz CSKWGXZPBVQZEC-FQEVSTJZSA-N 0 0 433.573 5.769 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N4CCC[C@H]5CCCC[C@@H]54)c3)n2)o1 ZINC000023426418 557353703 /nfs/dbraw/zinc/35/37/03/557353703.db2.gz YKAWTZDVLKVRPB-GCJKJVERSA-N 0 0 433.556 5.149 50 0 IKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000023426920 557353729 /nfs/dbraw/zinc/35/37/29/557353729.db2.gz YLZJIDAJTLNLTK-UHFFFAOYSA-N 0 0 435.421 5.589 50 0 IKAARN Cc1cc2nc(-c3ccccc3)c(N3CCN(C(=O)CCC4CCCC4)CC3)nc2cc1C ZINC000023426666 557353740 /nfs/dbraw/zinc/35/37/40/557353740.db2.gz DOTBWVMBZIUUMI-UHFFFAOYSA-N 0 0 442.607 5.533 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N4CCC[C@H]5CCCC[C@H]54)c3)n2)o1 ZINC000023426425 557353745 /nfs/dbraw/zinc/35/37/45/557353745.db2.gz YKAWTZDVLKVRPB-XMSQKQJNSA-N 0 0 433.556 5.149 50 0 IKAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023426681 557353765 /nfs/dbraw/zinc/35/37/65/557353765.db2.gz VCHIIEJDFKNHJT-UHFFFAOYSA-N 0 0 442.603 5.532 50 0 IKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000023435764 557354192 /nfs/dbraw/zinc/35/41/92/557354192.db2.gz UDSVGLBOTXTMAP-SANMLTNESA-N 0 0 429.991 6.635 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023436924 557354196 /nfs/dbraw/zinc/35/41/96/557354196.db2.gz SQTOSUKGZSWYMS-SFHVURJKSA-N 0 0 429.951 6.148 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCCCCCC3)cc2)n1 ZINC000023436081 557354239 /nfs/dbraw/zinc/35/42/39/557354239.db2.gz ZKRYZMVDZSIWKQ-UHFFFAOYSA-N 0 0 445.563 5.431 50 0 IKAARN CC(C)c1ccc(-n2c(CCC(=O)NC[C@H]3CCCO3)cc3c2-c2ccccc2OC3)cc1 ZINC000023435490 557354258 /nfs/dbraw/zinc/35/42/58/557354258.db2.gz APHLZZLGOLEBSM-XMMPIXPASA-N 0 0 444.575 5.388 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC3CCCC3)c2)n(-c2ccc(OC)cc2)n1 ZINC000023436340 557354262 /nfs/dbraw/zinc/35/42/62/557354262.db2.gz CPSQGNASLXERFS-UHFFFAOYSA-N 0 0 447.535 5.243 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(C)c(F)c1)n2C(C)C ZINC000023436689 557354291 /nfs/dbraw/zinc/35/42/91/557354291.db2.gz MJSWZLXPOYHHOL-UHFFFAOYSA-N 0 0 449.617 5.388 50 0 IKAARN Cc1ccc(-n2c(CCC(=O)N3CCC[C@H](C)C3)cc3c2-c2ccccc2OC3)c(F)c1 ZINC000023437051 557354299 /nfs/dbraw/zinc/35/42/99/557354299.db2.gz WFSSAUMXUNICLL-IBGZPJMESA-N 0 0 432.539 5.675 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3)n[nH]2)c1 ZINC000023437816 557354587 /nfs/dbraw/zinc/35/45/87/557354587.db2.gz NTWLISDNUKHXMM-IBGZPJMESA-N 0 0 425.532 5.503 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC3CCCC3)c2)n(-c2ccc(F)cc2)n1 ZINC000023428297 557354796 /nfs/dbraw/zinc/35/47/96/557354796.db2.gz QWPYGMJWUXKFGE-UHFFFAOYSA-N 0 0 435.499 5.374 50 0 IKAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)cc1OC ZINC000023428269 557354878 /nfs/dbraw/zinc/35/48/78/557354878.db2.gz XMCGOZDQKCKZKW-GHTZIAJQSA-N 0 0 447.579 5.501 50 0 IKAARN O=C(c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1)N1CCCCCCC1 ZINC000023428357 557354895 /nfs/dbraw/zinc/35/48/95/557354895.db2.gz ZCXZRYJHVPTORV-UHFFFAOYSA-N 0 0 443.469 5.844 50 0 IKAARN CCC[C@@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccc(OC)cc2)c1 ZINC000023428794 557354921 /nfs/dbraw/zinc/35/49/21/557354921.db2.gz CBMAEFZGRKQDEM-QGZVFWFLSA-N 0 0 435.524 5.099 50 0 IKAARN COc1ccc2c(c1)-c1sc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc1CC2 ZINC000023429682 557355126 /nfs/dbraw/zinc/35/51/26/557355126.db2.gz KYIGRKYKJOOIBP-ZDUSSCGKSA-N 0 0 442.378 5.776 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000023430060 557355181 /nfs/dbraw/zinc/35/51/81/557355181.db2.gz QFVSGTISACLRCS-VWLOTQADSA-N 0 0 432.520 5.282 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1NCCc1ccccc1Cl ZINC000023430717 557355245 /nfs/dbraw/zinc/35/52/45/557355245.db2.gz IVFFZRHCNLIYMD-UHFFFAOYSA-N 0 0 449.860 5.647 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000023430778 557355361 /nfs/dbraw/zinc/35/53/61/557355361.db2.gz VZLTYJQAAGVBND-UHFFFAOYSA-N 0 0 434.344 6.075 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCCCCc4ccccc4)cc3)n[nH]2)c1 ZINC000023431623 557355463 /nfs/dbraw/zinc/35/54/63/557355463.db2.gz WTTPGYBAXDOENU-UHFFFAOYSA-N 0 0 425.532 5.505 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H]3c1ccccc1OC ZINC000023433377 557355676 /nfs/dbraw/zinc/35/56/76/557355676.db2.gz ZENCZAPMEYUNEE-XRHLQHRESA-N 0 0 448.607 6.122 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000023433014 557355776 /nfs/dbraw/zinc/35/57/76/557355776.db2.gz KHZQBSIMTGXXPP-HHHXNRCGSA-N 0 0 448.632 5.214 50 0 IKAARN CCCCC[C@H](C)NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023432348 557355794 /nfs/dbraw/zinc/35/57/94/557355794.db2.gz ZFADHDYOIHXOEO-KRWDZBQOSA-N 0 0 436.552 5.626 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1cc(C)oc1C)CC2 ZINC000023434030 557355959 /nfs/dbraw/zinc/35/59/59/557355959.db2.gz ZMLCDMGZSNAKBI-QHCPKHFHSA-N 0 0 425.912 5.355 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1c(F)cccc1F)CC2 ZINC000023448775 557356233 /nfs/dbraw/zinc/35/62/33/557356233.db2.gz CKABLFXFDNUYLY-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1cc(F)ccc1F)CC2 ZINC000023449417 557356287 /nfs/dbraw/zinc/35/62/87/557356287.db2.gz CJPARGXHJKCTQK-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023448577 557356297 /nfs/dbraw/zinc/35/62/97/557356297.db2.gz XCHYPALEBHRACG-HSZRJFAPSA-N 0 0 427.935 6.205 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1C)CC2 ZINC000023449031 557356377 /nfs/dbraw/zinc/35/63/77/557356377.db2.gz LJAOKGJDGNFSSK-DEOSSOPVSA-N 0 0 439.914 5.593 50 0 IKAARN O=C(NCc1cccs1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023449694 557356548 /nfs/dbraw/zinc/35/65/48/557356548.db2.gz BRNGTHQHDQLFTK-UHFFFAOYSA-N 0 0 428.344 6.042 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)n[nH]2)c1 ZINC000023449658 557356626 /nfs/dbraw/zinc/35/66/26/557356626.db2.gz LCECYHYSTGZCHF-UHFFFAOYSA-N 0 0 435.527 5.682 50 0 IKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)[C@H](C)Oc3ccccc3)nc2c1 ZINC000023450043 557356641 /nfs/dbraw/zinc/35/66/41/557356641.db2.gz RDGZFMDUJGFWSV-SFHVURJKSA-N 0 0 434.923 5.786 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1cccc(F)c1)CC2 ZINC000023450352 557356654 /nfs/dbraw/zinc/35/66/54/557356654.db2.gz WOCXCUQFIVWGOZ-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1cccs1)CC2 ZINC000023450459 557356776 /nfs/dbraw/zinc/35/67/76/557356776.db2.gz TXVBQNZJALBOSI-OAQYLSRUSA-N 0 0 431.916 5.346 50 0 IKAARN O=C(COCc1ccccc1)Nc1cccc(-c2cccc(-c3ccc(F)cc3F)n2)c1 ZINC000023450921 557356861 /nfs/dbraw/zinc/35/68/61/557356861.db2.gz BHTVAVIJIZTYKB-UHFFFAOYSA-N 0 0 430.454 5.849 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023451460 557357106 /nfs/dbraw/zinc/35/71/06/557357106.db2.gz LDSHOSKUYWUNBR-FQEVSTJZSA-N 0 0 435.571 5.984 50 0 IKAARN COc1ccc(CC(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccccc2Cl)cc1 ZINC000023451031 557357129 /nfs/dbraw/zinc/35/71/29/557357129.db2.gz HFNPYQIMUMWLGN-UHFFFAOYSA-N 0 0 434.923 5.570 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1 ZINC000023451136 557357136 /nfs/dbraw/zinc/35/71/36/557357136.db2.gz JVMLBNCVBJQVFK-UHFFFAOYSA-N 0 0 430.935 6.733 50 0 IKAARN CC[C@H](C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1)c1ccccc1 ZINC000023451353 557357165 /nfs/dbraw/zinc/35/71/65/557357165.db2.gz PGEPROWCRQMVQN-VWLOTQADSA-N 0 0 437.587 5.984 50 0 IKAARN O=C(NCc1cc(F)cc(F)c1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023451196 557357166 /nfs/dbraw/zinc/35/71/66/557357166.db2.gz XMMQSFIRCXENKD-UHFFFAOYSA-N 0 0 425.385 5.026 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCCOc3ccccc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023451707 557357170 /nfs/dbraw/zinc/35/71/70/557357170.db2.gz QMLKYLSYHXWABJ-UHFFFAOYSA-N 0 0 441.531 5.654 50 0 IKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1N(Cc1ccccc1)C(C)C ZINC000023438257 557357327 /nfs/dbraw/zinc/35/73/27/557357327.db2.gz DTNHPXLDFMXULK-UHFFFAOYSA-N 0 0 443.469 5.754 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 ZINC000023439171 557357339 /nfs/dbraw/zinc/35/73/39/557357339.db2.gz OOZNDJOHDMFMDK-FQEVSTJZSA-N 0 0 445.563 5.347 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000023438876 557357398 /nfs/dbraw/zinc/35/73/98/557357398.db2.gz IFZTUMNHCFCQRP-DEOSSOPVSA-N 0 0 436.939 5.845 50 0 IKAARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000102597351 557357462 /nfs/dbraw/zinc/35/74/62/557357462.db2.gz JABXHXFHQCVADO-SFHVURJKSA-N 0 0 425.410 5.811 50 0 IKAARN COc1cc(-c2cc(C(=O)N(C)C3CCCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000023440580 557357750 /nfs/dbraw/zinc/35/77/50/557357750.db2.gz UMQYCULADQDPAQ-UHFFFAOYSA-N 0 0 434.536 5.332 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(C(=O)N(C)CC)cc2)n1 ZINC000023440474 557357755 /nfs/dbraw/zinc/35/77/55/557357755.db2.gz VWNPADOBJPGPOJ-UHFFFAOYSA-N 0 0 446.334 5.115 50 0 IKAARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1 ZINC000102602380 557357771 /nfs/dbraw/zinc/35/77/71/557357771.db2.gz YRJQLCBYFLJOIC-QLXKLKPCSA-N 0 0 428.488 5.761 50 0 IKAARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000102602884 557357817 /nfs/dbraw/zinc/35/78/17/557357817.db2.gz SYBSIRDXDUIKFS-BXKMTCNYSA-N 0 0 426.907 6.150 50 0 IKAARN O=C(N1CCc2ccccc2[C@@H]1c1ccccc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000023440966 557357890 /nfs/dbraw/zinc/35/78/90/557357890.db2.gz SIWWUVKAXSBMOS-RUZDIDTESA-N 0 0 433.954 6.465 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000023441202 557357913 /nfs/dbraw/zinc/35/79/13/557357913.db2.gz WLBULRVXUVFDSW-QHCPKHFHSA-N 0 0 440.902 5.676 50 0 IKAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000023441265 557357950 /nfs/dbraw/zinc/35/79/50/557357950.db2.gz HIMSNMDJHYJXHP-XMMPIXPASA-N 0 0 437.923 5.154 50 0 IKAARN COc1cc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000023441502 557357961 /nfs/dbraw/zinc/35/79/61/557357961.db2.gz RVDDMARBPJNOMA-HSZRJFAPSA-N 0 0 437.923 5.154 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023441271 557357995 /nfs/dbraw/zinc/35/79/95/557357995.db2.gz LOWYNMSGFUVTJG-QGZVFWFLSA-N 0 0 435.545 5.458 50 0 IKAARN O=C(CCCc1ccccc1)N1CCC(n2c3ccccc3nc2Cc2ccccc2)CC1 ZINC000023442485 557358360 /nfs/dbraw/zinc/35/83/60/557358360.db2.gz HKIJPBGWOLWNRQ-UHFFFAOYSA-N 0 0 437.587 5.814 50 0 IKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2Cl)cc1 ZINC000023442559 557358374 /nfs/dbraw/zinc/35/83/74/557358374.db2.gz NGGFNVWEZTUIDG-RUZDIDTESA-N 0 0 435.951 5.708 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000023442564 557358380 /nfs/dbraw/zinc/35/83/80/557358380.db2.gz JKJLGLKKSCTXEA-QHCPKHFHSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccc(Cl)nc1)CC2 ZINC000023444913 557358476 /nfs/dbraw/zinc/35/84/76/557358476.db2.gz JAGZCYZUEBDJKI-JOCHJYFZSA-N 0 0 443.330 5.194 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccc(Cl)nc1)CC2 ZINC000023444910 557358521 /nfs/dbraw/zinc/35/85/21/557358521.db2.gz JAGZCYZUEBDJKI-QFIPXVFZSA-N 0 0 443.330 5.194 50 0 IKAARN CCOc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 ZINC000023443961 557358537 /nfs/dbraw/zinc/35/85/37/557358537.db2.gz PGMDJCUNISXXMG-RUZDIDTESA-N 0 0 435.495 5.030 50 0 IKAARN CCOc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 ZINC000023443958 557358622 /nfs/dbraw/zinc/35/86/22/557358622.db2.gz PGMDJCUNISXXMG-VWLOTQADSA-N 0 0 435.495 5.030 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000023445750 557358829 /nfs/dbraw/zinc/35/88/29/557358829.db2.gz OJVQFENNXBMMER-HSZRJFAPSA-N 0 0 442.342 5.799 50 0 IKAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1)c1ccc(F)c(F)c1F ZINC000023446286 557358843 /nfs/dbraw/zinc/35/88/43/557358843.db2.gz YEQATKZNUZAWGU-UHFFFAOYSA-N 0 0 425.385 5.230 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(F)ccc2F)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023446042 557358926 /nfs/dbraw/zinc/35/89/26/557358926.db2.gz QGTHIGBZZQZEKB-HNNXBMFYSA-N 0 0 441.499 5.728 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(F)ccc2F)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023446044 557358930 /nfs/dbraw/zinc/35/89/30/557358930.db2.gz QGTHIGBZZQZEKB-OAHLLOKOSA-N 0 0 441.499 5.728 50 0 IKAARN Cc1ccc(CCC(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023446246 557358954 /nfs/dbraw/zinc/35/89/54/557358954.db2.gz CZBXEDWHYQCKTB-UHFFFAOYSA-N 0 0 437.587 5.732 50 0 IKAARN O=C(NCCCCc1ccccc1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023447443 557359051 /nfs/dbraw/zinc/35/90/51/557359051.db2.gz ZRENHLFADGLRDA-UHFFFAOYSA-N 0 0 435.571 5.985 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023446733 557359080 /nfs/dbraw/zinc/35/90/80/557359080.db2.gz HUVGSILVHHMHIS-GOSISDBHSA-N 0 0 431.486 5.569 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4cccc(OC)c4)cc3)n[nH]2)c1 ZINC000023447237 557359114 /nfs/dbraw/zinc/35/91/14/557359114.db2.gz SZBPKEISKSGTOE-QGZVFWFLSA-N 0 0 427.504 5.252 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccccc1C(F)(F)F ZINC000023446893 557359199 /nfs/dbraw/zinc/35/91/99/557359199.db2.gz VKDREBMJTMUNHQ-AWEZNQCLSA-N 0 0 447.478 6.348 50 0 IKAARN C[C@@H](CC(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1)c1ccccc1 ZINC000023447101 557359254 /nfs/dbraw/zinc/35/92/54/557359254.db2.gz VUQQSYAVFCUHKI-QFIPXVFZSA-N 0 0 437.587 5.984 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1cc(C)oc1C)CC2 ZINC000023447974 557359600 /nfs/dbraw/zinc/35/96/00/557359600.db2.gz PIAHOLXJQBEPHG-HSZRJFAPSA-N 0 0 443.902 5.494 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2Cc1ccccn1 ZINC000023458451 557359748 /nfs/dbraw/zinc/35/97/48/557359748.db2.gz AXHOJXMNOAKLDF-UHFFFAOYSA-N 0 0 437.952 5.602 50 0 IKAARN COc1cc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)cc(OC)c1 ZINC000023458421 557359752 /nfs/dbraw/zinc/35/97/52/557359752.db2.gz DINYFJDODDTRHI-UHFFFAOYSA-N 0 0 445.540 6.155 50 0 IKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000023459857 557360019 /nfs/dbraw/zinc/36/00/19/557360019.db2.gz LXTNRHITUHVMEO-UHFFFAOYSA-N 0 0 445.469 5.059 50 0 IKAARN COc1ccccc1-c1cccc(-c2cccc(NC(=O)c3ccc(F)c(Cl)c3)c2)n1 ZINC000023459624 557360030 /nfs/dbraw/zinc/36/00/30/557360030.db2.gz DAYSPCHWQKHHLB-UHFFFAOYSA-N 0 0 432.882 6.469 50 0 IKAARN CSc1ccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023460155 557360277 /nfs/dbraw/zinc/36/02/77/557360277.db2.gz VOFVGNKXQNDLMI-UHFFFAOYSA-N 0 0 445.563 6.042 50 0 IKAARN COc1ccc(Cl)cc1-c1cccc(-n2cncc2C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000023460258 557360324 /nfs/dbraw/zinc/36/03/24/557360324.db2.gz KJCOVFMLLYYBBJ-GGAORHGYSA-N 0 0 443.934 5.487 50 0 IKAARN CCCCc1ccc(CNC(=O)c2cc(-c3cccs3)nc3cc(C)c(C)cc32)cc1 ZINC000023460344 557360373 /nfs/dbraw/zinc/36/03/73/557360373.db2.gz FGZTWDKFHYXAJO-UHFFFAOYSA-N 0 0 428.601 6.853 50 0 IKAARN COc1cc(OC)c(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)cc1OC ZINC000023460870 557360603 /nfs/dbraw/zinc/36/06/03/557360603.db2.gz AUGQPYUCSWPQOX-UHFFFAOYSA-N 0 0 429.394 6.206 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)c(F)c1F)n2Cc1ccco1 ZINC000023460491 557360731 /nfs/dbraw/zinc/36/07/31/557360731.db2.gz XKCHRXNTUXAYTI-UHFFFAOYSA-N 0 0 442.487 5.733 50 0 IKAARN Cc1ccc(C(=O)N2CCCN(c3nc4ccccc4nc3-c3ccccc3)CC2)cc1C ZINC000023461742 557360909 /nfs/dbraw/zinc/36/09/09/557360909.db2.gz CLEKAPBEWNGWPD-UHFFFAOYSA-N 0 0 436.559 5.266 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(c2nc(-c3ccccc3F)nc3ccccc32)CC1 ZINC000023461514 557360936 /nfs/dbraw/zinc/36/09/36/557360936.db2.gz KPBWFCFRGJCSCF-UHFFFAOYSA-N 0 0 432.930 5.724 50 0 IKAARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000102648169 557361028 /nfs/dbraw/zinc/36/10/28/557361028.db2.gz ACWAEVCSYLUJHP-MNNSJKJDSA-N 0 0 436.599 7.922 50 0 IKAARN O=C(c1nc2ccccc2s1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023461852 557361187 /nfs/dbraw/zinc/36/11/87/557361187.db2.gz ZSUIHNPMCIBIPG-QHCPKHFHSA-N 0 0 447.991 5.497 50 0 IKAARN O=C(c1ccccc1F)N(Cc1nc2cc(Cl)ccc2o1)Cc1cccc(Cl)c1 ZINC000023452843 557361563 /nfs/dbraw/zinc/36/15/63/557361563.db2.gz WMTWQNVVHVARMU-UHFFFAOYSA-N 0 0 429.278 6.116 50 0 IKAARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC ZINC000102675469 557361664 /nfs/dbraw/zinc/36/16/64/557361664.db2.gz RTPGHDKDIVDCGI-VWLOTQADSA-N 0 0 448.563 6.152 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102653683 557361733 /nfs/dbraw/zinc/36/17/33/557361733.db2.gz QQXFLCVXVIZOCK-SANMLTNESA-N 0 0 430.592 7.187 50 0 IKAARN CCCn1cc(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21 ZINC000023453617 557361809 /nfs/dbraw/zinc/36/18/09/557361809.db2.gz VRUDQYZWLZZDAT-UHFFFAOYSA-N 0 0 432.589 5.773 50 0 IKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccc(Cl)nc3)nc2c1 ZINC000023454366 557361866 /nfs/dbraw/zinc/36/18/66/557361866.db2.gz DTLIKWNITZKAOD-UHFFFAOYSA-N 0 0 427.838 5.305 50 0 IKAARN Cc1ccccc1CC(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023453921 557361875 /nfs/dbraw/zinc/36/18/75/557361875.db2.gz LMLUQTCPRIOHIJ-UHFFFAOYSA-N 0 0 435.571 5.932 50 0 IKAARN C[C@H](C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000023453491 557361876 /nfs/dbraw/zinc/36/18/76/557361876.db2.gz JBTBJUDEVFIMPD-IBGZPJMESA-N 0 0 427.523 5.810 50 0 IKAARN CCc1ccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023454714 557362148 /nfs/dbraw/zinc/36/21/48/557362148.db2.gz FLKIKIOPNYGOQL-UHFFFAOYSA-N 0 0 427.523 5.882 50 0 IKAARN Cc1ccc(OCC(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023454515 557362168 /nfs/dbraw/zinc/36/21/68/557362168.db2.gz XCFNBYKCKJJCTQ-UHFFFAOYSA-N 0 0 443.522 5.393 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C(C)C)cc3)C2)c(OC)c1 ZINC000102665274 557362306 /nfs/dbraw/zinc/36/23/06/557362306.db2.gz QPJUJBIYVDBKKG-IQGLISFBSA-N 0 0 444.535 5.484 50 0 IKAARN COc1ccc(C(=O)N(Cc2nc3cc(Cl)ccc3o2)Cc2cccc(Cl)c2)cc1 ZINC000023455241 557362313 /nfs/dbraw/zinc/36/23/13/557362313.db2.gz GKWOAKQILVSWDH-UHFFFAOYSA-N 0 0 441.314 5.986 50 0 IKAARN O=C(NCc1cccc(F)c1F)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023455758 557362364 /nfs/dbraw/zinc/36/23/64/557362364.db2.gz ONGKSPXARFFGHK-UHFFFAOYSA-N 0 0 429.470 5.441 50 0 IKAARN CCc1ccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)cc1 ZINC000023455834 557362385 /nfs/dbraw/zinc/36/23/85/557362385.db2.gz OXGKOKMPNLJMLH-UHFFFAOYSA-N 0 0 435.571 6.257 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3csc4ccccc34)CC2)cc1 ZINC000023455686 557362403 /nfs/dbraw/zinc/36/24/03/557362403.db2.gz FQPBBLNBOVWGCU-SANMLTNESA-N 0 0 426.585 5.757 50 0 IKAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023455801 557362435 /nfs/dbraw/zinc/36/24/35/557362435.db2.gz QCWTZGBERRRRPU-IBGZPJMESA-N 0 0 443.522 5.473 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@H]2c1ccccc1 ZINC000102667853 557362551 /nfs/dbraw/zinc/36/25/51/557362551.db2.gz ACFXPWMTCACFQC-NDEPHWFRSA-N 0 0 448.570 7.029 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2cncn2-c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)C1 ZINC000023456886 557362659 /nfs/dbraw/zinc/36/26/59/557362659.db2.gz IGVJGKALKYPDNW-OAQYLSRUSA-N 0 0 437.543 6.204 50 0 IKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000102673515 557362822 /nfs/dbraw/zinc/36/28/22/557362822.db2.gz YCTKTUKPUOEWDH-OSPHWJPCSA-N 0 0 426.907 6.150 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023457166 557362877 /nfs/dbraw/zinc/36/28/77/557362877.db2.gz CINRJFJEHUAFDH-UHFFFAOYSA-N 0 0 445.733 6.631 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)n2)o1 ZINC000023457074 557362925 /nfs/dbraw/zinc/36/29/25/557362925.db2.gz CTGOZAFGZRBHLQ-INIZCTEOSA-N 0 0 429.524 5.019 50 0 IKAARN O=C(c1ccccc1Cl)N(Cc1nc2cc(Cl)ccc2o1)Cc1cccc(Cl)c1 ZINC000023457479 557362955 /nfs/dbraw/zinc/36/29/55/557362955.db2.gz LNNRBCCOQUBRJR-UHFFFAOYSA-N 0 0 445.733 6.631 50 0 IKAARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)c1ccccc1F ZINC000023457483 557362971 /nfs/dbraw/zinc/36/29/71/557362971.db2.gz BRDIJBIXUKUFJW-UHFFFAOYSA-N 0 0 426.447 5.578 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023457283 557362991 /nfs/dbraw/zinc/36/29/91/557362991.db2.gz SSQBACAQAGTLGH-UHFFFAOYSA-N 0 0 441.962 6.348 50 0 IKAARN O=C(CCc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023457100 557363021 /nfs/dbraw/zinc/36/30/21/557363021.db2.gz DNHLOKAWKOFHKY-UHFFFAOYSA-N 0 0 436.342 6.417 50 0 IKAARN CC[C@H](C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000023458046 557363203 /nfs/dbraw/zinc/36/32/03/557363203.db2.gz UQBTUPYAAWAJKF-DEOSSOPVSA-N 0 0 441.550 6.200 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023457870 557363284 /nfs/dbraw/zinc/36/32/84/557363284.db2.gz DBGUBGAIDJSQSO-UHFFFAOYSA-N 0 0 441.962 6.348 50 0 IKAARN Cc1nnc(COC(=O)c2c3ccccc3nc3c2C[C@H](C)C/C3=C/c2ccccc2)o1 ZINC000023469937 557363556 /nfs/dbraw/zinc/36/35/56/557363556.db2.gz LZRZZMSPYLIRHU-BAACNHRGSA-N 0 0 425.488 5.406 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(I)c1 ZINC000102645807 557363616 /nfs/dbraw/zinc/36/36/16/557363616.db2.gz VWQTWKIFPSJYSH-FQEVSTJZSA-N 0 0 444.316 6.163 50 0 IKAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3c[nH]c4ccccc43)C12 ZINC000102689721 557363841 /nfs/dbraw/zinc/36/38/41/557363841.db2.gz WMTVKRCQBJIXBW-LHSJRXKWSA-N 0 0 449.436 5.843 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000102699668 557365308 /nfs/dbraw/zinc/36/53/08/557365308.db2.gz WENAUEXWDPYYJE-AUSIDOKSSA-N 0 0 447.362 5.831 50 0 IKAARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 ZINC000102701913 557365634 /nfs/dbraw/zinc/36/56/34/557365634.db2.gz GTLUFRZIGQDXTO-VWLOTQADSA-N 0 0 446.547 5.906 50 0 IKAARN Cc1cccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000102706571 557366581 /nfs/dbraw/zinc/36/65/81/557366581.db2.gz VCKMBHWNGBOGEH-KKUQBAQOSA-N 0 0 434.495 5.199 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3Cl)C2)cc1OC ZINC000102677893 557368005 /nfs/dbraw/zinc/36/80/05/557368005.db2.gz BLNRWUQIUHBDEJ-FPTDNZKUSA-N 0 0 436.899 5.014 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)o1 ZINC000023601876 557368133 /nfs/dbraw/zinc/36/81/33/557368133.db2.gz AUTUACFKPYEEFJ-SNVBAGLBSA-N 0 0 442.547 5.518 50 0 IKAARN CC1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccc(Cl)cc4)cc32)CC1 ZINC000102683772 557368594 /nfs/dbraw/zinc/36/85/94/557368594.db2.gz YVOQWRAVXORHPL-UHFFFAOYSA-N 0 0 445.950 6.508 50 0 IKAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H]4CCCc5c6ccccc6[nH]c54)c(C)c3cc12 ZINC000524729648 557368604 /nfs/dbraw/zinc/36/86/04/557368604.db2.gz BYXLYSBHLIPJKU-JOCHJYFZSA-N 0 0 440.499 5.374 50 0 biogenic IKAARN Cc1occc1-c1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)[C@@H](C)S2 ZINC000011690123 557369147 /nfs/dbraw/zinc/36/91/47/557369147.db2.gz OBAYWOGITOTKKC-LLVKDONJSA-N 0 0 445.331 6.160 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000524730496 557369188 /nfs/dbraw/zinc/36/91/88/557369188.db2.gz LBDYFOPUCFKBSV-INIZCTEOSA-N 0 0 446.842 5.095 50 0 biogenic IKAARN CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)[C@H](C(N)=O)C(SCc2ccccc2)=N1 ZINC000050012172 557369464 /nfs/dbraw/zinc/36/94/64/557369464.db2.gz YHWUABHYGKGMLT-JOCHJYFZSA-N 0 0 447.604 5.297 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(CCCc4ccccc4)CC3=O)n2)cc1OC ZINC000102724625 557369578 /nfs/dbraw/zinc/36/95/78/557369578.db2.gz XHIROZDYIXYJDG-UHFFFAOYSA-N 0 0 435.549 5.022 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(F)c(F)c2)o1 ZINC000102725415 557369604 /nfs/dbraw/zinc/36/96/04/557369604.db2.gz BYLQPDGGNYPKOA-NQIIRXRSSA-N 0 0 445.263 5.871 50 0 IKAARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102727561 557370270 /nfs/dbraw/zinc/37/02/70/557370270.db2.gz MYRHAKXGORPFSA-ASSNKEHSSA-N 0 0 441.314 6.603 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)o1 ZINC000102727864 557370351 /nfs/dbraw/zinc/37/03/51/557370351.db2.gz ZRCOSKIKYZGMFU-RXVVDRJESA-N 0 0 433.722 6.791 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102728695 557370629 /nfs/dbraw/zinc/37/06/29/557370629.db2.gz IYGHJVDWDNIWHR-HJPURHCSSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)cc2)cc1OC ZINC000102728014 557370637 /nfs/dbraw/zinc/37/06/37/557370637.db2.gz CKOWHYRAUUEWKP-QMHKHESXSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccccc1/C=C(/C(=O)OCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000025393775 557370719 /nfs/dbraw/zinc/37/07/19/557370719.db2.gz ZDLCDVUOKVOSOG-XQNSMLJCSA-N 0 0 427.525 6.103 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccccc1F)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524734493 557370722 /nfs/dbraw/zinc/37/07/22/557370722.db2.gz KLSLLLGZJASLSM-HSZRJFAPSA-N 0 0 431.511 5.027 50 0 IKAARN CCCN1C(=O)C(C(=O)C=Cc2ccc(C)cc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@H]23 ZINC000102730734 557371162 /nfs/dbraw/zinc/37/11/62/557371162.db2.gz RJSILIMLFOXVLP-XMRRSQISSA-N 0 0 429.560 6.135 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1cccc(F)c1)[C@@H](C(C)C)O[C@H](C(C)C)C2 ZINC000524733561 557371176 /nfs/dbraw/zinc/37/11/76/557371176.db2.gz VSIMABRCJHYORA-GHTZIAJQSA-N 0 0 447.572 5.540 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1cccc(F)c1)[C@@H](C(C)C)O[C@@H](C(C)C)C2 ZINC000524733568 557371221 /nfs/dbraw/zinc/37/12/21/557371221.db2.gz VSIMABRCJHYORA-WIYYLYMNSA-N 0 0 447.572 5.540 50 0 IKAARN c1ccc(-c2ccc(Cc3nn4c(nnc4C45CC6CC(CC(C6)C4)C5)s3)cc2)cc1 ZINC000072333562 557371816 /nfs/dbraw/zinc/37/18/16/557371816.db2.gz OCKQDNQTFATNGZ-UHFFFAOYSA-N 0 0 426.589 5.911 50 0 IKAARN Cc1ccc(/C=C\c2nn(-c3ccc(Br)cc3)c3c2ccccc3=O)c(C)c1 ZINC000033856580 557373180 /nfs/dbraw/zinc/37/31/80/557373180.db2.gz IXDVRAGGFHWZHV-ZROIWOOFSA-N 0 0 431.333 5.935 50 0 IKAARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O ZINC000102716935 557374782 /nfs/dbraw/zinc/37/47/82/557374782.db2.gz UJBZXYAFASJMCL-NYHFZMIOSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4cccc(Cl)c4)CC3=O)n2)cc1OC ZINC000102716986 557375217 /nfs/dbraw/zinc/37/52/17/557375217.db2.gz HQKHPVIKKVHEHN-UHFFFAOYSA-N 0 0 427.913 5.247 50 0 IKAARN COc1cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(=O)C32)ccc1O ZINC000102743966 557377134 /nfs/dbraw/zinc/37/71/34/557377134.db2.gz ARMOYIVKYFSWTF-XCLFUZPHSA-N 0 0 438.871 5.066 50 0 IKAARN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102755969 557384228 /nfs/dbraw/zinc/38/42/28/557384228.db2.gz UMZFKDLJITZBCJ-TWJOJJKGSA-N 0 0 434.495 5.199 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1cccc(Cl)c1)occ3C(C)(C)C ZINC000011691867 557385125 /nfs/dbraw/zinc/38/51/25/557385125.db2.gz WYCQEDNOXFHMJD-UHFFFAOYSA-N 0 0 437.923 5.657 50 0 IKAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)NC1CCCCCC1 ZINC000011692366 557388318 /nfs/dbraw/zinc/38/83/18/557388318.db2.gz MXCQFTDHJAALRJ-UHFFFAOYSA-N 0 0 425.912 5.331 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccc(Br)c3)=Nc3nc4ccccc4n32)cc1 ZINC000102795067 557388641 /nfs/dbraw/zinc/38/86/41/557388641.db2.gz CWCUAPNVBWOLDC-QFIPXVFZSA-N 0 0 432.321 5.863 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000102794846 557388647 /nfs/dbraw/zinc/38/86/47/557388647.db2.gz CXLDHSSULMVOMU-PZGXJGMVSA-N 0 0 436.555 6.955 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000102795062 557388756 /nfs/dbraw/zinc/38/87/56/557388756.db2.gz OBJQEFCPQKPOSN-QFIPXVFZSA-N 0 0 432.321 5.863 50 0 IKAARN CCc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cc(Br)ccc3F)C2)cc1 ZINC000102799591 557389891 /nfs/dbraw/zinc/38/98/91/557389891.db2.gz BUYBNYXVUSTRKJ-QHCPKHFHSA-N 0 0 448.339 6.556 50 0 IKAARN O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1ccc(F)c(Cl)c1 ZINC000011694983 557392990 /nfs/dbraw/zinc/39/29/90/557392990.db2.gz LADLPBQMAOVLCI-UHFFFAOYSA-N 0 0 426.947 5.153 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000102830459 557394021 /nfs/dbraw/zinc/39/40/21/557394021.db2.gz MIEJPGXSMSNVDK-ZIQUOCRMSA-N 0 0 440.341 5.416 50 0 IKAARN CCCCc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)cc3)CC2=O)cc1 ZINC000102844679 557394533 /nfs/dbraw/zinc/39/45/33/557394533.db2.gz IHNVKQWBIDXFCV-UHFFFAOYSA-N 0 0 440.547 5.229 50 0 IKAARN Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NC3CCCCC3)c(Cl)nc2c1 ZINC000033435700 557397879 /nfs/dbraw/zinc/39/78/79/557397879.db2.gz ODGSFWGVPYCROI-KQWNVCNZSA-N 0 0 447.966 5.416 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C(C)C ZINC000013956183 557398223 /nfs/dbraw/zinc/39/82/23/557398223.db2.gz DZAINUSPJSRSNN-UHFFFAOYSA-N 0 0 446.523 5.064 50 0 IKAARN CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000033447145 557398578 /nfs/dbraw/zinc/39/85/78/557398578.db2.gz UNBZIKAJTZCYSH-ODLFYWEKSA-N 0 0 449.931 5.902 50 0 IKAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1cccs1 ZINC000033450347 557399227 /nfs/dbraw/zinc/39/92/27/557399227.db2.gz OTAYWEJJUAMZPL-LJQANCHMSA-N 0 0 438.593 5.162 50 0 IKAARN CCCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102859552 557399767 /nfs/dbraw/zinc/39/97/67/557399767.db2.gz SWKZQCSMBQILNV-MHZLTWQESA-N 0 0 432.608 7.744 50 0 IKAARN COc1cc2nc(SC[C@H]3CCCCO3)n(C3CCCCCC3)c(=N)c2cc1OC ZINC000100330633 557400262 /nfs/dbraw/zinc/40/02/62/557400262.db2.gz LZPLZVBTRVPSSH-QGZVFWFLSA-N 0 0 431.602 5.089 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Br)cc3)C2=O)cc1 ZINC000100344636 557400522 /nfs/dbraw/zinc/40/05/22/557400522.db2.gz UFSWXORZKDTZMS-KGENOOAVSA-N 0 0 449.304 5.098 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)cc2)cc1 ZINC000033499589 557402402 /nfs/dbraw/zinc/40/24/02/557402402.db2.gz JFTUWMROPZFWGV-UHFFFAOYSA-N 0 0 428.532 5.470 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 ZINC000004903197 557402733 /nfs/dbraw/zinc/40/27/33/557402733.db2.gz QORVXDIAFCOZLR-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)C(N1CCCCC1)=Nc1ccccc1O2)c1ccccc1 ZINC000102862306 557402890 /nfs/dbraw/zinc/40/28/90/557402890.db2.gz JTQDMEYOLGYQNI-QFIPXVFZSA-N 0 0 439.559 6.489 50 0 IKAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O ZINC000004910923 557403637 /nfs/dbraw/zinc/40/36/37/557403637.db2.gz HVZDFWPCHNOMJN-KRWDZBQOSA-N 0 0 425.960 5.273 50 0 IKAARN CCn1cc(CN(C(=S)Nc2c(C)cc(C)cc2C)C2CCCCC2)c2ccccc21 ZINC000004913862 557403920 /nfs/dbraw/zinc/40/39/20/557403920.db2.gz CRFWIZOFSDEKEH-UHFFFAOYSA-N 0 0 433.665 7.118 50 0 IKAARN CCn1cc(CN(C(=S)Nc2cc(C)ccc2C)C2CCCCCC2)c2ccccc21 ZINC000004913538 557404025 /nfs/dbraw/zinc/40/40/25/557404025.db2.gz OKBAAFXMFYKXPX-UHFFFAOYSA-N 0 0 433.665 7.200 50 0 IKAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)c1 ZINC000004916169 557404313 /nfs/dbraw/zinc/40/43/13/557404313.db2.gz ZWKNDXQBGWKLKL-INIZCTEOSA-N 0 0 427.570 5.119 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccccc1Cl ZINC000102881342 557407700 /nfs/dbraw/zinc/40/77/00/557407700.db2.gz SXEPHGIEHCKEDO-MHZLTWQESA-N 0 0 442.990 7.806 50 0 IKAARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 ZINC000102883121 557408814 /nfs/dbraw/zinc/40/88/14/557408814.db2.gz LESDLZRFYNUMDI-VWLOTQADSA-N 0 0 448.563 6.152 50 0 IKAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1 ZINC000033575179 557412594 /nfs/dbraw/zinc/41/25/94/557412594.db2.gz DMFZVUUECFQEHU-UHFFFAOYSA-N 0 0 433.552 5.103 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1C1(N(Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000102932670 557412995 /nfs/dbraw/zinc/41/29/95/557412995.db2.gz JYUODMYLZAWUMS-UHFFFAOYSA-N 0 0 437.591 5.751 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000004951544 557414689 /nfs/dbraw/zinc/41/46/89/557414689.db2.gz IIZNEQLGZAAGFS-CPJSRVTESA-N 0 0 427.610 6.065 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCS[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000004951533 557414775 /nfs/dbraw/zinc/41/47/75/557414775.db2.gz IIZNEQLGZAAGFS-NLFFAJNJSA-N 0 0 427.610 6.065 50 0 IKAARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000102984738 557414811 /nfs/dbraw/zinc/41/48/11/557414811.db2.gz RHAOXPWIIXEHJR-DNOBIOAJSA-N 0 0 444.531 7.003 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000257364921 557415536 /nfs/dbraw/zinc/41/55/36/557415536.db2.gz FDBXCQIAUYDMBI-DLYUURAZSA-N 0 0 430.481 5.487 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000034352894 557416191 /nfs/dbraw/zinc/41/61/91/557416191.db2.gz JVRUDYNTKOCRNP-RLRFXSNCSA-N 0 0 436.592 6.107 50 0 biogenic IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(SC)cc2)c1 ZINC000103176966 557425559 /nfs/dbraw/zinc/42/55/59/557425559.db2.gz ZRJVQQDBLOTKDL-UPVQGACJSA-N 0 0 436.964 6.313 50 0 IKAARN O=C(Nc1nc2ccccc2s1)C(C(=O)Nc1nc2ccccc2s1)[C@H]1C=CCC1 ZINC000135757730 557426118 /nfs/dbraw/zinc/42/61/18/557426118.db2.gz ORPKLDBVUFDOKO-ZDUSSCGKSA-N 0 0 434.546 5.066 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1 ZINC000000538456 557436390 /nfs/dbraw/zinc/43/63/90/557436390.db2.gz ZLWLKVQCHZSSEL-UHFFFAOYSA-N 0 0 439.954 5.288 50 0 in-man IKAARN CC1(C)CC(=O)C(C(c2ccc(Cl)c(Cl)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000103423540 557436785 /nfs/dbraw/zinc/43/67/85/557436785.db2.gz VDUWNNRYCWERII-UHFFFAOYSA-N 0 0 437.363 5.226 50 0 IKAARN Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1C ZINC000024505691 557437169 /nfs/dbraw/zinc/43/71/69/557437169.db2.gz CORPTGKGSLMIDR-UHFFFAOYSA-N 0 0 438.553 5.091 50 0 IKAARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000103450734 557437358 /nfs/dbraw/zinc/43/73/58/557437358.db2.gz WMUGBHWKXAIERP-ZTOMLWHTSA-N 0 0 437.587 7.162 50 0 IKAARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000103450742 557437427 /nfs/dbraw/zinc/43/74/27/557437427.db2.gz WMUGBHWKXAIERP-KPURRNSFSA-N 0 0 437.587 7.162 50 0 IKAARN Cc1ccccc1CN1CCCN(Cc2ccc(F)cc2Cl)[C@H]1c1ccccc1Cl ZINC000103624035 557440288 /nfs/dbraw/zinc/44/02/88/557440288.db2.gz XTJPCRUPVGTNGT-VWLOTQADSA-N 0 0 443.393 6.848 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@@H]1c1cccs1 ZINC000103726722 557440732 /nfs/dbraw/zinc/44/07/32/557440732.db2.gz QCGMHMOKJONPFY-GNFNVJLZSA-N 0 0 438.637 5.626 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@H]1c1cccc(Cl)c1 ZINC000103893226 557442279 /nfs/dbraw/zinc/44/22/79/557442279.db2.gz AATRXUARELIDPS-DEOSSOPVSA-N 0 0 429.366 6.458 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccnc1 ZINC000103869289 557442330 /nfs/dbraw/zinc/44/23/30/557442330.db2.gz CRLAUYJCZQHXHD-MHZLTWQESA-N 0 0 437.543 6.117 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccnc1 ZINC000103869295 557442339 /nfs/dbraw/zinc/44/23/39/557442339.db2.gz CRLAUYJCZQHXHD-HHHXNRCGSA-N 0 0 437.543 6.117 50 0 IKAARN COc1ccc(C(F)(F)F)cc1NC=Cc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000103895435 557442546 /nfs/dbraw/zinc/44/25/46/557442546.db2.gz MBOYXBPNMMLRQZ-VOTSOKGWSA-N 0 0 430.217 5.079 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000104006125 557448804 /nfs/dbraw/zinc/44/88/04/557448804.db2.gz MHXRPKVZGJIWMS-SSOJOUAXSA-N 0 0 432.520 6.457 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000104077766 557449757 /nfs/dbraw/zinc/44/97/57/557449757.db2.gz PVJKNBRRRAQJIF-MMTVBGGISA-N 0 0 440.518 6.704 50 0 IKAARN CCOc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096278211 557450405 /nfs/dbraw/zinc/45/04/05/557450405.db2.gz HQUHEGWMRNQOGT-JOCHJYFZSA-N 0 0 432.951 6.058 50 0 IKAARN Cc1ccc(F)c([C@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096290305 557451218 /nfs/dbraw/zinc/45/12/18/557451218.db2.gz UNROFSMKTYSXOJ-IBGZPJMESA-N 0 0 435.930 5.545 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(OCc4ccccc4)cc3)C12 ZINC000104154505 557451412 /nfs/dbraw/zinc/45/14/12/557451412.db2.gz RBPWPISNPRUYGL-GDLZYMKVSA-N 0 0 447.559 7.516 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC ZINC000104158630 557451684 /nfs/dbraw/zinc/45/16/84/557451684.db2.gz RARIFBVFOAQOEU-PIIWDFAUSA-N 0 0 440.543 6.641 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N3CCOCC3)c3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000104639574 557457063 /nfs/dbraw/zinc/45/70/63/557457063.db2.gz ZCPWMTWVRJVGGQ-FQEVSTJZSA-N 0 0 430.470 5.130 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1Cl ZINC000014814244 557458252 /nfs/dbraw/zinc/45/82/52/557458252.db2.gz VQWMAANBKGCQNG-QHCPKHFHSA-N 0 0 431.338 6.101 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1Cl ZINC000014814246 557458321 /nfs/dbraw/zinc/45/83/21/557458321.db2.gz VQWMAANBKGCQNG-HSZRJFAPSA-N 0 0 431.338 6.101 50 0 IKAARN Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000105022701 557473073 /nfs/dbraw/zinc/47/30/73/557473073.db2.gz ACMDUCRFEHHFLQ-PIKZIKFNSA-N 0 0 440.587 5.189 50 0 IKAARN COc1ccc(C=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=S)c(OC)c1 ZINC000051330651 557507277 /nfs/dbraw/zinc/50/72/77/557507277.db2.gz VYICKMCPFYBPLP-BNCCVWRVSA-N 0 0 425.362 5.894 50 0 IKAARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC000105800635 557510958 /nfs/dbraw/zinc/51/09/58/557510958.db2.gz HTLLYNIQBSCNJA-KPURRNSFSA-N 0 0 438.571 7.129 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000105833424 557511376 /nfs/dbraw/zinc/51/13/76/557511376.db2.gz XGQUTMJLDSGZSQ-OFNKIYASSA-N 0 0 435.321 5.700 50 0 IKAARN O=C1Nc2c(cc(Cl)cc2Cl)[C@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000105972872 557512418 /nfs/dbraw/zinc/51/24/18/557512418.db2.gz NLNANYATVPQJFK-KKSFZXQISA-N 0 0 442.327 5.404 50 0 IKAARN CCc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621651 557517509 /nfs/dbraw/zinc/51/75/09/557517509.db2.gz FHOGVVCSBWBQKZ-UHFFFAOYSA-N 0 0 436.437 5.530 50 0 IKAARN CCN(/C=C1\c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 ZINC000003223442 557523503 /nfs/dbraw/zinc/52/35/03/557523503.db2.gz KBGFACLXESGOMO-CJLVFECKSA-N 0 0 436.433 5.760 50 0 IKAARN CC1CCN(C(=O)Cn2c3ccccc3nc2SCCOc2ccc(Cl)cc2)CC1 ZINC000012062326 557526368 /nfs/dbraw/zinc/52/63/68/557526368.db2.gz DYAKEOSAVUKZME-UHFFFAOYSA-N 0 0 444.000 5.119 50 0 IKAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CC[C@@H](Cc3ccccc3)C[C@@H]12 ZINC000025184306 557529024 /nfs/dbraw/zinc/52/90/24/557529024.db2.gz XSQHHQMZTNHFGM-TZIIFLTASA-N 0 0 435.571 5.480 50 0 IKAARN Cn1cc([C@H](CC(=O)NCc2ccncc2)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000106798230 557532732 /nfs/dbraw/zinc/53/27/32/557532732.db2.gz GMUJMBXYXFOHET-XMMPIXPASA-N 0 0 425.576 5.709 50 0 IKAARN Cn1cc([C@@H](CC(=O)NCc2ccncc2)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000106798233 557532775 /nfs/dbraw/zinc/53/27/75/557532775.db2.gz GMUJMBXYXFOHET-DEOSSOPVSA-N 0 0 425.576 5.709 50 0 IKAARN CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000106916156 557533698 /nfs/dbraw/zinc/53/36/98/557533698.db2.gz MCJLBIKREMNEHK-CSMYWGQOSA-N 0 0 425.413 5.037 50 0 IKAARN Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)c1 ZINC000106937257 557533874 /nfs/dbraw/zinc/53/38/74/557533874.db2.gz DPXBDBBIJFLINC-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000106937197 557533896 /nfs/dbraw/zinc/53/38/96/557533896.db2.gz YYVKVFVTWZCTOS-DHLKQENFSA-N 0 0 448.906 5.110 50 0 IKAARN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O ZINC000107146140 557534816 /nfs/dbraw/zinc/53/48/16/557534816.db2.gz MDPMFSADSSYKMA-YTZAWJCFSA-N 0 0 444.531 5.108 50 0 IKAARN Cc1ccccc1CSc1nc2n(n1)[C@@H](CC(C)C)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 ZINC000107173592 557535113 /nfs/dbraw/zinc/53/51/13/557535113.db2.gz ZCKMQPYCNDOJTK-BVYCBKJFSA-N 0 0 449.624 5.535 50 0 IKAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000044803537 557537020 /nfs/dbraw/zinc/53/70/20/557537020.db2.gz VXBDXLZJNVZLDU-AWEZNQCLSA-N 0 0 445.350 5.190 50 0 IKAARN CCCCOc1c(OC)cccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccn1 ZINC000044921625 557541157 /nfs/dbraw/zinc/54/11/57/557541157.db2.gz QMTZUKYAMAMQDO-JOCHJYFZSA-N 0 0 438.553 5.187 50 0 IKAARN Cc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnc3cc(-c4ccccc4)nn32)cc1 ZINC000045484822 557543630 /nfs/dbraw/zinc/54/36/30/557543630.db2.gz ZLIDNXPPITZPLW-UHFFFAOYSA-N 0 0 425.513 5.205 50 0 IKAARN O=C(OC[C@@H]1COc2ccccc21)c1nc2ccccc2nc1Nc1ccc(Cl)cc1 ZINC000045901745 557546745 /nfs/dbraw/zinc/54/67/45/557546745.db2.gz PGVPQNSSHPPRKO-HNNXBMFYSA-N 0 0 431.879 5.360 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045922579 557547863 /nfs/dbraw/zinc/54/78/63/557547863.db2.gz LPDUEZBGZHWVIV-UHFFFAOYSA-N 0 0 437.746 5.797 50 0 IKAARN CCn1c2cc(NC(=O)c3cccc(F)c3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940816 557549306 /nfs/dbraw/zinc/54/93/06/557549306.db2.gz VQBQPEZYHQYLQP-UHFFFAOYSA-N 0 0 435.524 5.385 50 0 IKAARN O=c1c2sccc2n2c(SCc3ccc(Cl)cc3)nnc2n1Cc1cccs1 ZINC000045924486 557549454 /nfs/dbraw/zinc/54/94/54/557549454.db2.gz PKEUCUSFHGFNFA-UHFFFAOYSA-N 0 0 444.994 5.161 50 0 IKAARN O=c1c2sccc2n2c(SCc3cccc(Cl)c3)nnc2n1Cc1cccs1 ZINC000045924489 557549494 /nfs/dbraw/zinc/54/94/94/557549494.db2.gz CJFQKKPGXZTVMR-UHFFFAOYSA-N 0 0 444.994 5.161 50 0 IKAARN COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)c(C)o2)cc1OC ZINC000045924911 557549960 /nfs/dbraw/zinc/54/99/60/557549960.db2.gz PTSCFWTZUAGGGZ-UHFFFAOYSA-N 0 0 435.505 5.122 50 0 IKAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCC3)cc1 ZINC000045932844 557550551 /nfs/dbraw/zinc/55/05/51/557550551.db2.gz DSCMJBNBAHYMHK-UHFFFAOYSA-N 0 0 434.605 5.926 50 0 IKAARN COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)cc1 ZINC000045933310 557550580 /nfs/dbraw/zinc/55/05/80/557550580.db2.gz SJRXXXWLQMKHME-UHFFFAOYSA-N 0 0 426.969 5.672 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000045941829 557551273 /nfs/dbraw/zinc/55/12/73/557551273.db2.gz GJIRCKKBJBBHDH-RUZDIDTESA-N 0 0 447.506 5.247 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Br)cc1 ZINC000045941783 557551345 /nfs/dbraw/zinc/55/13/45/557551345.db2.gz ZPSLLZODZBPQPH-QHCPKHFHSA-N 0 0 448.360 5.853 50 0 IKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000045941873 557551450 /nfs/dbraw/zinc/55/14/50/557551450.db2.gz KRPDHIYUKHVZEX-SANMLTNESA-N 0 0 443.543 5.362 50 0 IKAARN COC(=O)c1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942024 557551527 /nfs/dbraw/zinc/55/15/27/557551527.db2.gz LTOQEZQDKXITEK-HSZRJFAPSA-N 0 0 447.918 5.488 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045942188 557551751 /nfs/dbraw/zinc/55/17/51/557551751.db2.gz JIKRJXNPDICRJA-QHCPKHFHSA-N 0 0 435.520 5.609 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccccc2Cl)cc1 ZINC000045942032 557551761 /nfs/dbraw/zinc/55/17/61/557551761.db2.gz CFOZTHJDXABQAV-HSZRJFAPSA-N 0 0 449.890 5.130 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942203 557551786 /nfs/dbraw/zinc/55/17/86/557551786.db2.gz PORCATRCAGZRFB-SANMLTNESA-N 0 0 443.612 6.893 50 0 IKAARN CC(C)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000045942353 557551934 /nfs/dbraw/zinc/55/19/34/557551934.db2.gz QXKRZBWYVFTOHD-VWLOTQADSA-N 0 0 427.500 5.592 50 0 IKAARN COc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000045942541 557551957 /nfs/dbraw/zinc/55/19/57/557551957.db2.gz SZBIAEOFPXAZPR-OAQYLSRUSA-N 0 0 436.305 5.515 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942540 557551981 /nfs/dbraw/zinc/55/19/81/557551981.db2.gz ILVJPZAOKKWPTJ-VWLOTQADSA-N 0 0 429.516 5.884 50 0 IKAARN CC(C)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000045942351 557551989 /nfs/dbraw/zinc/55/19/89/557551989.db2.gz QXKRZBWYVFTOHD-RUZDIDTESA-N 0 0 427.500 5.592 50 0 IKAARN CCc1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942307 557551996 /nfs/dbraw/zinc/55/19/96/557551996.db2.gz BJTCMIFDNDBXHL-DEOSSOPVSA-N 0 0 433.935 5.964 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1F ZINC000045943147 557552189 /nfs/dbraw/zinc/55/21/89/557552189.db2.gz TTZDCFMGBIJQTJ-UHFFFAOYSA-N 0 0 441.709 5.627 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000045942720 557552197 /nfs/dbraw/zinc/55/21/97/557552197.db2.gz CLBZGAJKIHVEJD-OAQYLSRUSA-N 0 0 435.321 5.205 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000045943220 557552372 /nfs/dbraw/zinc/55/23/72/557552372.db2.gz YNINARIACGZXEO-UHFFFAOYSA-N 0 0 431.311 5.038 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)cc1Cl ZINC000045943233 557552400 /nfs/dbraw/zinc/55/24/00/557552400.db2.gz CTHJPKHPAQDQIE-UHFFFAOYSA-N 0 0 441.709 5.627 50 0 IKAARN Cc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000045943759 557552608 /nfs/dbraw/zinc/55/26/08/557552608.db2.gz IGDWUQAQEYYYPW-QGZVFWFLSA-N 0 0 436.964 5.987 50 0 IKAARN Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)NCCCc2ccco2)cc1C ZINC000045943860 557552611 /nfs/dbraw/zinc/55/26/11/557552611.db2.gz GDFFGFIHCNQLKQ-UHFFFAOYSA-N 0 0 440.568 6.689 50 0 IKAARN O=C(NCCCc1ccco1)c1sc2c(cnc3ccc(F)cc23)c1-c1ccccc1 ZINC000045943926 557552618 /nfs/dbraw/zinc/55/26/18/557552618.db2.gz HBFLLJLMJUXUER-UHFFFAOYSA-N 0 0 430.504 6.211 50 0 IKAARN Cc1ccc(-c2c3cnc4ccc(C)cc4c3sc2C(=O)NCCCc2ccco2)cc1 ZINC000045943788 557552631 /nfs/dbraw/zinc/55/26/31/557552631.db2.gz OCHSXRAVCIRITL-UHFFFAOYSA-N 0 0 440.568 6.689 50 0 IKAARN CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NCCCOC)cc1 ZINC000045943983 557552886 /nfs/dbraw/zinc/55/28/86/557552886.db2.gz CLGPGAXNUNVREW-UHFFFAOYSA-N 0 0 438.980 6.099 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000045961944 557557058 /nfs/dbraw/zinc/55/70/58/557557058.db2.gz GYZPXCHUBYPMCL-UHFFFAOYSA-N 0 0 448.544 5.329 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000109407186 557557066 /nfs/dbraw/zinc/55/70/66/557557066.db2.gz XEUFMLYRJPTBAP-YSSFQJQWSA-N 0 0 434.433 5.257 50 0 IKAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000045967277 557557250 /nfs/dbraw/zinc/55/72/50/557557250.db2.gz NUEFWDBFSRCTRF-UHFFFAOYSA-N 0 0 433.895 5.953 50 0 IKAARN O=C(OCc1nnsc1Cl)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000039995747 557675096 /nfs/dbraw/zinc/67/50/96/557675096.db2.gz XMTCGLVMZNFSDV-QBFSEMIESA-N 0 0 437.908 5.567 50 0 IKAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC1(Cc2ccccc2)CC1 ZINC000225400571 557718438 /nfs/dbraw/zinc/71/84/38/557718438.db2.gz LZLGUWZOPUQGCN-QHCPKHFHSA-N 0 0 432.951 5.093 50 0 IKAARN CN(C)c1cccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000225496424 557730173 /nfs/dbraw/zinc/73/01/73/557730173.db2.gz JOJGPULOUJCMJZ-XMMPIXPASA-N 0 0 449.023 5.632 50 0 IKAARN COc1cccc([C@H]2CC(c3cccc(N(C)C)c3)=NN2C(=S)Nc2ccccc2)c1 ZINC000225516715 557733917 /nfs/dbraw/zinc/73/39/17/557733917.db2.gz YPOBMGZEPGDYSN-XMMPIXPASA-N 0 0 430.577 5.309 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000225516549 557733947 /nfs/dbraw/zinc/73/39/47/557733947.db2.gz HGZQFDFGKCMTFE-GOSISDBHSA-N 0 0 429.701 5.687 50 0 IKAARN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)CCC(=O)c3ccc(C)cc3)C2)n1 ZINC000225565869 557743420 /nfs/dbraw/zinc/74/34/20/557743420.db2.gz QWAMCVMLSBEHFB-FQEVSTJZSA-N 0 0 448.588 5.496 50 0 IKAARN COc1cccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)Cc2ccccc2)c1 ZINC000225634982 557755038 /nfs/dbraw/zinc/75/50/38/557755038.db2.gz XEGQKZLNGIWYCR-QHCPKHFHSA-N 0 0 449.348 5.378 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2)C[C@@H]1c1ccccn1 ZINC000225781402 557777408 /nfs/dbraw/zinc/77/74/08/557777408.db2.gz QSXQVBGTBXVONN-JOCHJYFZSA-N 0 0 442.906 5.353 50 0 IKAARN Cc1ccc([C@H](O)c2ccccn2)cc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000225836285 557783348 /nfs/dbraw/zinc/78/33/48/557783348.db2.gz CNRRHOQANHAERW-LJAQVGFWSA-N 0 0 446.554 5.937 50 0 IKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)[C@@H]2OC(C)=O)cc1 ZINC000226406312 557806687 /nfs/dbraw/zinc/80/66/87/557806687.db2.gz JPPVXERJZNMYHM-PXBRPBGFSA-N 0 0 446.587 6.185 50 0 IKAARN COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O ZINC000226420774 557807040 /nfs/dbraw/zinc/80/70/40/557807040.db2.gz HORBLPIYENOYJM-GEUSISJESA-N 0 0 449.591 5.432 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000843630 557811301 /nfs/dbraw/zinc/81/13/01/557811301.db2.gz AJWLGUNRLUABCH-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1ccc(Br)cc1 ZINC000000843919 557811324 /nfs/dbraw/zinc/81/13/24/557811324.db2.gz OCYKFYOLYYPHNW-UHFFFAOYSA-N 0 0 430.352 5.622 50 0 IKAARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)cc1Cl)O2 ZINC000226946657 557811326 /nfs/dbraw/zinc/81/13/26/557811326.db2.gz YUJGBZOSUCRAIS-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3nc(C)no3)n2)cc1 ZINC000024982110 557821327 /nfs/dbraw/zinc/82/13/27/557821327.db2.gz MQQDAKQGSNMXFP-UHFFFAOYSA-N 0 0 436.562 5.609 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000844955 557828562 /nfs/dbraw/zinc/82/85/62/557828562.db2.gz ULIGLMAXRWKOHE-UHFFFAOYSA-N 0 0 434.780 5.460 50 0 IKAARN O=C(c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1)N1CCCCC1 ZINC000000845338 557828711 /nfs/dbraw/zinc/82/87/11/557828711.db2.gz ZQXMSVFGWWTYOG-UHFFFAOYSA-N 0 0 443.256 5.348 50 0 IKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000041181193 557828716 /nfs/dbraw/zinc/82/87/16/557828716.db2.gz FJIRFWDJPBXNKB-OZWRERIQSA-N 0 0 430.544 5.739 50 0 IKAARN S=C(Nc1ccccc1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000846755 557829044 /nfs/dbraw/zinc/82/90/44/557829044.db2.gz BOPWUPRJDPCGLA-VWLOTQADSA-N 0 0 429.633 6.779 50 0 biogenic IKAARN Cc1c(Cl)cccc1NC(=O)COc1ccc(Br)cc1Br ZINC000000846815 557829108 /nfs/dbraw/zinc/82/91/08/557829108.db2.gz HCYCRYPMIWVQLF-UHFFFAOYSA-N 0 0 433.527 5.191 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4)c3n2)cc1 ZINC000000848656 557829756 /nfs/dbraw/zinc/82/97/56/557829756.db2.gz MDBONTGFOOWBCO-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN CCC(=O)N(c1nnc(SCC(=O)c2ccc(C(C)C)cc2C(C)C)s1)C1CC1 ZINC000024991606 557830652 /nfs/dbraw/zinc/83/06/52/557830652.db2.gz KXVIPMXBPBYARU-UHFFFAOYSA-N 0 0 431.627 5.665 50 0 IKAARN CCNc1nc(Sc2nc(C)cc(C)n2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000000850756 557830837 /nfs/dbraw/zinc/83/08/37/557830837.db2.gz CKLJJLQTWJKDBH-UHFFFAOYSA-N 0 0 429.553 5.331 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000000850658 557830859 /nfs/dbraw/zinc/83/08/59/557830859.db2.gz SWHMSVBJJRTREO-UHFFFAOYSA-N 0 0 442.474 6.046 50 0 IKAARN O=C(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000853494 557831038 /nfs/dbraw/zinc/83/10/38/557831038.db2.gz OIXQGNDBTPPQLW-UHFFFAOYSA-N 0 0 447.174 6.421 50 0 IKAARN COc1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 ZINC000000856330 557831460 /nfs/dbraw/zinc/83/14/60/557831460.db2.gz PUTLPUINIRGOOO-UHFFFAOYSA-N 0 0 429.295 5.431 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000000856841 557831470 /nfs/dbraw/zinc/83/14/70/557831470.db2.gz RMBQATLXSBUNCR-BJKOFHAPSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000229922076 557833839 /nfs/dbraw/zinc/83/38/39/557833839.db2.gz AYMQJCUBXGBAEU-PWRODBHTSA-N 0 0 439.298 5.045 50 0 IKAARN CCc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000229955310 557834194 /nfs/dbraw/zinc/83/41/94/557834194.db2.gz SDKLWRWAVXGWGH-OYUWMTPXSA-N 0 0 448.522 5.453 50 0 IKAARN S=c1n(CN2CCC[C@H]3CCCC[C@H]32)nc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000229996165 557835161 /nfs/dbraw/zinc/83/51/61/557835161.db2.gz KHMOHZCJMGUPHW-WIYYLYMNSA-N 0 0 448.592 5.411 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccccc2)c1NC(=O)c1ccccc1)c1ccccc1 ZINC000230138556 557835349 /nfs/dbraw/zinc/83/53/49/557835349.db2.gz UADVZVAUXCZETR-UHFFFAOYSA-N 0 0 435.483 5.444 50 0 IKAARN O=C(CN(Cc1ccco1)C(=O)c1ccccc1Cl)N(c1ccccc1)c1ccccc1 ZINC000000862937 557836334 /nfs/dbraw/zinc/83/63/34/557836334.db2.gz DNDDSNHZUHMEKA-UHFFFAOYSA-N 0 0 444.918 5.940 50 0 IKAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)cc1Cl)O2 ZINC000013801892 557836600 /nfs/dbraw/zinc/83/66/00/557836600.db2.gz YUJGBZOSUCRAIS-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN COC(=O)c1ccc(CN2CCOc3c(cc(-c4ccc(SC)cc4)cc3OC)C2)cc1 ZINC000014994140 557838474 /nfs/dbraw/zinc/83/84/74/557838474.db2.gz IVUPBSIBALCWFI-UHFFFAOYSA-N 0 0 449.572 5.265 50 0 IKAARN COC(=O)c1sc(-c2ccc(F)cc2)c2c1NC(=O)C2(c1ccccc1)c1ccccc1 ZINC000685943954 557839075 /nfs/dbraw/zinc/83/90/75/557839075.db2.gz POXCLKLQLPXXOD-UHFFFAOYSA-N 0 0 443.499 5.627 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Br)cc2)c2cccs2)cc1 ZINC000000868805 557840111 /nfs/dbraw/zinc/84/01/11/557840111.db2.gz QYLLRSKJBDFVEQ-HXUWFJFHSA-N 0 0 449.391 5.607 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)NCc1ccccc1Cl ZINC000018588833 557840980 /nfs/dbraw/zinc/84/09/80/557840980.db2.gz CAWPIHKVQHKBDN-CQSZACIVSA-N 0 0 429.973 5.485 50 0 IKAARN c1ccc(Nc2ccc(OCCOCCOc3ccc(Nc4ccccc4)cc3)cc2)cc1 ZINC000002952835 557841438 /nfs/dbraw/zinc/84/14/38/557841438.db2.gz DJBKEHXHHUXBGV-UHFFFAOYSA-N 0 0 440.543 6.648 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000003168991 557841666 /nfs/dbraw/zinc/84/16/66/557841666.db2.gz VCBOFHXZBDHMSR-UHFFFAOYSA-N 0 0 436.295 6.266 50 0 IKAARN Cc1cccc([C@]2(c3ccccc3)OC(=O)[C@](c3ccccc3)(c3cccc(C)c3)OC2=O)c1 ZINC000003080930 557842184 /nfs/dbraw/zinc/84/21/84/557842184.db2.gz NKLQBTIQTRJJAO-KYJUHHDHSA-N 0 0 448.518 5.591 50 0 IKAARN CC1C[C@@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@H](C)C1 ZINC000000885403 557855315 /nfs/dbraw/zinc/85/53/15/557855315.db2.gz TYSKRDIOCOSDQX-HUUCEWRRSA-N 0 0 449.542 5.389 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1C ZINC000000887806 557855555 /nfs/dbraw/zinc/85/55/55/557855555.db2.gz FVJUFUKMYWVATQ-UHFFFAOYSA-N 0 0 444.560 5.194 50 0 IKAARN Cc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)c(C)c1 ZINC000000890214 557859158 /nfs/dbraw/zinc/85/91/58/557859158.db2.gz ZPDJPBLFXVKOHL-HXUWFJFHSA-N 0 0 443.016 5.632 50 0 IKAARN CCCn1c2ccccc2nc1NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000000892345 557860511 /nfs/dbraw/zinc/86/05/11/557860511.db2.gz CBFITEZYNMDVPK-UHFFFAOYSA-N 0 0 434.565 5.168 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)o1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000000892368 557860519 /nfs/dbraw/zinc/86/05/19/557860519.db2.gz VFGMLIIXXTWJQD-UHFFFAOYSA-N 0 0 438.512 5.742 50 0 IKAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000000909655 562919597 /nfs/dbraw/zinc/91/95/97/562919597.db2.gz CGGDLWVOLVYHCD-UHFFFAOYSA-N 0 0 436.920 5.023 50 0 IKAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)COc4ccccc4)ccc32)cc1 ZINC000000974549 562919888 /nfs/dbraw/zinc/91/98/88/562919888.db2.gz OLEQCNOJJJGQKW-UHFFFAOYSA-N 0 0 429.472 5.135 50 0 IKAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CCCC[C@H]1c1cccnc1 ZINC000001073267 562920228 /nfs/dbraw/zinc/92/02/28/562920228.db2.gz JFGHHLMKYGRKPG-FQEVSTJZSA-N 0 0 433.462 5.096 50 0 IKAARN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCC(=O)c1ccc(Cl)cc1 ZINC000001127744 562920534 /nfs/dbraw/zinc/92/05/34/562920534.db2.gz WCTLKBHITRHYIV-UHFFFAOYSA-N 0 0 431.879 5.170 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001121623 562920599 /nfs/dbraw/zinc/92/05/99/562920599.db2.gz XRWGRMWJPGTBDY-UHFFFAOYSA-N 0 0 449.454 5.459 50 0 IKAARN COc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn32)cc1 ZINC000001382295 562921502 /nfs/dbraw/zinc/92/15/02/562921502.db2.gz KIMKGQVCXHWZFA-UHFFFAOYSA-N 0 0 437.834 5.018 50 0 IKAARN FC(F)(F)c1cnc(Sc2nc3nccc(-c4ccc(Cl)cc4)n3n2)c(Cl)c1 ZINC000001393128 562921643 /nfs/dbraw/zinc/92/16/43/562921643.db2.gz JLLFVMCZYYQSHT-UHFFFAOYSA-N 0 0 442.253 5.663 50 0 IKAARN O=C(Nc1ccccc1SC[C@H]1CSc2nc3ccccc3c(=O)n21)c1ccccc1 ZINC000001406125 562921776 /nfs/dbraw/zinc/92/17/76/562921776.db2.gz ZTPUEBJUZXYSKB-KRWDZBQOSA-N 0 0 445.569 5.088 50 0 IKAARN Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000001430347 562921864 /nfs/dbraw/zinc/92/18/64/562921864.db2.gz MSQVQQLQHKMQJJ-GOSISDBHSA-N 0 0 433.914 5.706 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1 ZINC000001512754 562922357 /nfs/dbraw/zinc/92/23/57/562922357.db2.gz ZAEBYMFTICZDEB-UHFFFAOYSA-N 0 0 430.287 5.494 50 0 IKAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nn21 ZINC000001507275 562922374 /nfs/dbraw/zinc/92/23/74/562922374.db2.gz HUCNPAJWZZJRCS-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN CCCCCCc1cc2cc(-c3csc(-c4ccc(OC)cc4)n3)c(=O)oc2cc1O ZINC000001650063 562923779 /nfs/dbraw/zinc/92/37/79/562923779.db2.gz TVVUAZIQQXSKBU-UHFFFAOYSA-N 0 0 435.545 6.421 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000001773520 562924685 /nfs/dbraw/zinc/92/46/85/562924685.db2.gz WPMSJTKHNIBCAH-OAHLLOKOSA-N 0 0 428.598 5.067 50 0 IKAARN COc1ccccc1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001820175 562924719 /nfs/dbraw/zinc/92/47/19/562924719.db2.gz VKEBNXCHYIPBQW-UHFFFAOYSA-N 0 0 434.923 5.585 50 0 IKAARN CCOC(=O)c1c(Oc2ccc(C(C)=O)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001971312 562925492 /nfs/dbraw/zinc/92/54/92/562925492.db2.gz YWTXNKKFBPMMRJ-UHFFFAOYSA-N 0 0 438.483 5.982 50 0 IKAARN CC(=O)Nc1ccc(C(=O)COc2c(=O)c3ccccc3oc2-c2ccc(Cl)cc2)cc1 ZINC000001993972 562925498 /nfs/dbraw/zinc/92/54/98/562925498.db2.gz OKKHQDHVPDARGH-UHFFFAOYSA-N 0 0 447.874 5.334 50 0 IKAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000002205805 562926387 /nfs/dbraw/zinc/92/63/87/562926387.db2.gz SFXWYBRACHQPMR-HSZRJFAPSA-N 0 0 444.512 5.775 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4cc5ccccc5oc4=O)cs3)c(=O)oc2c1 ZINC000002206935 562926388 /nfs/dbraw/zinc/92/63/88/562926388.db2.gz MAXOWDNUBPDAFN-UHFFFAOYSA-N 0 0 444.512 5.536 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2cccc(C)c2C)c1 ZINC000002232855 562926483 /nfs/dbraw/zinc/92/64/83/562926483.db2.gz YUTLANBDBUVLAO-AREMUKBSSA-N 0 0 430.548 5.868 50 0 IKAARN Cc1cc(C)nc(S[C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000002232496 562926496 /nfs/dbraw/zinc/92/64/96/562926496.db2.gz FBSDGWKMSGQFEF-PKTZIBPZSA-N 0 0 447.585 5.113 50 0 IKAARN Cc1cc(C)nc(S[C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000002232497 562926507 /nfs/dbraw/zinc/92/65/07/562926507.db2.gz FBSDGWKMSGQFEF-DHIUTWEWSA-N 0 0 447.585 5.113 50 0 IKAARN Cc1cccc(OP(=O)(Oc2cccc(C)c2)O[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000002270649 562926694 /nfs/dbraw/zinc/92/66/94/562926694.db2.gz BUHMPMCPHRPNBN-OAQYLSRUSA-N 0 0 436.366 7.190 50 0 IKAARN COc1ccc(N[C@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000002300340 562926833 /nfs/dbraw/zinc/92/68/33/562926833.db2.gz RDBHDOJRMHZTDB-SANMLTNESA-N 0 0 445.455 7.157 50 0 IKAARN O=C1[C@@H]2C(c3ccccc3)(c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000002312703 562926941 /nfs/dbraw/zinc/92/69/41/562926941.db2.gz AEVLUTIKJJHCAL-IRPSRAIASA-N 0 0 449.937 5.767 50 0 IKAARN CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl ZINC000002371000 562927183 /nfs/dbraw/zinc/92/71/83/562927183.db2.gz TVDPOCVINOIXSD-CCLHPLFOSA-N 0 0 430.312 5.717 50 0 IKAARN COc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC ZINC000002436092 562927683 /nfs/dbraw/zinc/92/76/83/562927683.db2.gz WPVPAGJUOPBMCZ-UHFFFAOYSA-N 0 0 437.883 5.161 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1 ZINC000002621527 562928575 /nfs/dbraw/zinc/92/85/75/562928575.db2.gz ZHPXFSJEEHNCJV-LJQANCHMSA-N 0 0 437.546 5.587 50 0 aggregator IKAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C ZINC000002626160 562928653 /nfs/dbraw/zinc/92/86/53/562928653.db2.gz USSUECRVHBFCJW-ZDUSSCGKSA-N 0 0 434.562 5.022 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000002631795 562928813 /nfs/dbraw/zinc/92/88/13/562928813.db2.gz OFSDJLRDHFZYKQ-UHFFFAOYSA-N 0 0 441.527 6.365 50 0 aggregator IKAARN CC[C@@H](C)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000002633553 562928913 /nfs/dbraw/zinc/92/89/13/562928913.db2.gz RVGRJZUUCLIJAT-CQSZACIVSA-N 0 0 431.941 5.450 50 0 IKAARN O=C(COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)NC1CCCC1 ZINC000002634593 562928918 /nfs/dbraw/zinc/92/89/18/562928918.db2.gz BHVMQPCXFFWPFP-UHFFFAOYSA-N 0 0 443.952 5.594 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)oc1ccccc12 ZINC000002640681 562929098 /nfs/dbraw/zinc/92/90/98/562929098.db2.gz SAPMRIJLGBJLJJ-AWEZNQCLSA-N 0 0 434.517 5.672 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002649879 562929258 /nfs/dbraw/zinc/92/92/58/562929258.db2.gz VIXLSWMMRJHAKI-ZDUSSCGKSA-N 0 0 439.591 5.525 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000002660966 562929615 /nfs/dbraw/zinc/92/96/15/562929615.db2.gz VXPZPHYMDXPVCB-JOCHJYFZSA-N 0 0 441.358 5.214 50 0 aggregator IKAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000002660967 562929632 /nfs/dbraw/zinc/92/96/32/562929632.db2.gz VXPZPHYMDXPVCB-QFIPXVFZSA-N 0 0 441.358 5.214 50 0 aggregator IKAARN CCCc1ccc(OC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1 ZINC000002920021 562930518 /nfs/dbraw/zinc/93/05/18/562930518.db2.gz SECCZBWHOMXXBO-UHFFFAOYSA-N 0 0 436.508 5.126 50 0 IKAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2nc3c(cccc3C)s2)c1C ZINC000002929817 562930717 /nfs/dbraw/zinc/93/07/17/562930717.db2.gz AJOPTRHQXRRFPR-UHFFFAOYSA-N 0 0 435.524 5.752 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000002948453 562931024 /nfs/dbraw/zinc/93/10/24/562931024.db2.gz LBTMZGMAXORZRD-GOSISDBHSA-N 0 0 428.557 6.276 50 0 IKAARN CCc1sc(Nc2cccc(Cl)c2C)nc1-c1cc2cccc(OC)c2oc1=O ZINC000002956399 562931192 /nfs/dbraw/zinc/93/11/92/562931192.db2.gz ZLKVMFHJBYWXDJ-UHFFFAOYSA-N 0 0 426.925 6.193 50 0 IKAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 ZINC000003006742 562931626 /nfs/dbraw/zinc/93/16/26/562931626.db2.gz AEWSVXVEOGUZNJ-XMMPIXPASA-N 0 0 431.532 5.085 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc2F)cc1 ZINC000003024819 562931833 /nfs/dbraw/zinc/93/18/33/562931833.db2.gz GBJRSUFYVVHNHN-UHFFFAOYSA-N 0 0 432.561 5.155 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1Cl ZINC000003033256 562931902 /nfs/dbraw/zinc/93/19/02/562931902.db2.gz CULSMDQKMVXVJX-UHFFFAOYSA-N 0 0 432.936 5.590 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033278 562931917 /nfs/dbraw/zinc/93/19/17/562931917.db2.gz NRTVHJIUBRVCOJ-UHFFFAOYSA-N 0 0 445.522 5.902 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)cc1OC ZINC000003046139 562932159 /nfs/dbraw/zinc/93/21/59/562932159.db2.gz FFIIEVJCOMBIIL-UHFFFAOYSA-N 0 0 440.543 5.508 50 0 biogenic IKAARN CCOc1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)cc1 ZINC000003049233 562932261 /nfs/dbraw/zinc/93/22/61/562932261.db2.gz HPSHCVWCJZGUBR-UHFFFAOYSA-N 0 0 434.561 5.433 50 0 IKAARN CCCCN(C)C(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056314 562932306 /nfs/dbraw/zinc/93/23/06/562932306.db2.gz ADFYGALZCRSZOR-UHFFFAOYSA-N 0 0 448.563 6.009 50 0 IKAARN Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 ZINC000003128535 562932465 /nfs/dbraw/zinc/93/24/65/562932465.db2.gz KUSRACUCXADIEK-UHFFFAOYSA-N 0 0 446.281 6.149 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc(OC(F)F)cc1 ZINC000003190440 562932655 /nfs/dbraw/zinc/93/26/55/562932655.db2.gz BRKGVCZDLBFEPZ-UHFFFAOYSA-N 0 0 442.459 5.902 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000003221856 562932994 /nfs/dbraw/zinc/93/29/94/562932994.db2.gz OIRIKUVCVWIMNW-GOSISDBHSA-N 0 0 438.858 5.464 50 0 IKAARN Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000003261080 562933489 /nfs/dbraw/zinc/93/34/89/562933489.db2.gz WJHCIHDFLMOZGH-UHFFFAOYSA-N 0 0 432.336 5.533 50 0 IKAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)o1 ZINC000003278292 562933600 /nfs/dbraw/zinc/93/36/00/562933600.db2.gz PXOSVOAIAQGZDG-UHFFFAOYSA-N 0 0 446.956 5.217 50 0 IKAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000003291834 562933807 /nfs/dbraw/zinc/93/38/07/562933807.db2.gz ZUAFFQHNJXBZDL-UHFFFAOYSA-N 0 0 427.472 5.388 50 0 IKAARN Cc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc(Br)s2)s1 ZINC000003295032 562933817 /nfs/dbraw/zinc/93/38/17/562933817.db2.gz LIUGTYRLGGLNLO-UHFFFAOYSA-N 0 0 440.413 5.698 50 0 aggregator IKAARN CCOc1cc(C(=O)Nc2ccc3c4c(cccc42)C(=O)N3CC)cc(OCC)c1OCC ZINC000003306609 562934017 /nfs/dbraw/zinc/93/40/17/562934017.db2.gz FSRQFLDGWGUVND-UHFFFAOYSA-N 0 0 448.519 5.268 50 0 IKAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000003388636 562935146 /nfs/dbraw/zinc/93/51/46/562935146.db2.gz RWCBBHXPKXZGBW-UHFFFAOYSA-N 0 0 446.172 5.143 50 0 IKAARN COc1cc(NC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc(OC)c1OC ZINC000003425110 562935628 /nfs/dbraw/zinc/93/56/28/562935628.db2.gz VAYFJIXHKHAQRY-UHFFFAOYSA-N 0 0 430.913 5.164 50 0 IKAARN COC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 ZINC000003433372 562935796 /nfs/dbraw/zinc/93/57/96/562935796.db2.gz RKXKASKAYKVXIN-UHFFFAOYSA-N 0 0 442.540 5.753 50 0 aggregator IKAARN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCc2ccccc21 ZINC000003534139 562936428 /nfs/dbraw/zinc/93/64/28/562936428.db2.gz GLCZABYFEMMPFG-SFHVURJKSA-N 0 0 438.556 5.276 50 0 aggregator IKAARN Cc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1 ZINC000003653068 562937413 /nfs/dbraw/zinc/93/74/13/562937413.db2.gz JHWUVRXRNDHYLU-UHFFFAOYSA-N 0 0 445.573 5.570 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655455 562937438 /nfs/dbraw/zinc/93/74/38/562937438.db2.gz FXKCYLURRMQBOR-HNNXBMFYSA-N 0 0 449.890 5.732 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655456 562937470 /nfs/dbraw/zinc/93/74/70/562937470.db2.gz FXKCYLURRMQBOR-OAHLLOKOSA-N 0 0 449.890 5.732 50 0 IKAARN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658751 562937500 /nfs/dbraw/zinc/93/75/00/562937500.db2.gz VEXMCQRNBYPIOQ-NRFANRHFSA-N 0 0 447.560 5.530 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000003957627 562939977 /nfs/dbraw/zinc/93/99/77/562939977.db2.gz DSNQQLJMRBRUGG-UHFFFAOYSA-N 0 0 427.564 5.230 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)C(=O)NCCNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000004027210 562940852 /nfs/dbraw/zinc/94/08/52/562940852.db2.gz ADXAZTWBWFPYRO-FGZHOGPDSA-N 0 0 436.640 5.223 50 0 biogenic IKAARN COc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2)cc1 ZINC000004058126 562941491 /nfs/dbraw/zinc/94/14/91/562941491.db2.gz YEKVYXVPJFEXRZ-UHFFFAOYSA-N 0 0 441.516 5.285 50 0 IKAARN CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004530475 562943353 /nfs/dbraw/zinc/94/33/53/562943353.db2.gz SSYBALDZBDEWMS-UHFFFAOYSA-N 0 0 428.660 7.863 50 0 IKAARN Nc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000006457091 562946790 /nfs/dbraw/zinc/94/67/90/562946790.db2.gz SZZIPXGWHNHVMG-UHFFFAOYSA-N 0 0 426.470 5.335 50 0 IKAARN CCN(CC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000006728195 562948210 /nfs/dbraw/zinc/94/82/10/562948210.db2.gz KZNZFFWQLLPOQM-HNNXBMFYSA-N 0 0 430.589 5.773 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)N[C@H](C)c2c(C)c(C)sc2-n2cccc2)cc1 ZINC000006750472 562948340 /nfs/dbraw/zinc/94/83/40/562948340.db2.gz ZTKFKARSFYXHTE-MRXNPFEDSA-N 0 0 425.554 5.144 50 0 IKAARN C[C@@H](NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 ZINC000006916083 562948525 /nfs/dbraw/zinc/94/85/25/562948525.db2.gz PAWMIZJCVRIOMQ-HXUWFJFHSA-N 0 0 427.548 5.481 50 0 IKAARN C[C@H](NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 ZINC000006916081 562948546 /nfs/dbraw/zinc/94/85/46/562948546.db2.gz PAWMIZJCVRIOMQ-FQEVSTJZSA-N 0 0 427.548 5.481 50 0 IKAARN Cc1cccc(CNC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000006916092 562948622 /nfs/dbraw/zinc/94/86/22/562948622.db2.gz FFDGIKBWHQFWPM-UHFFFAOYSA-N 0 0 427.548 5.229 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000008583758 562949889 /nfs/dbraw/zinc/94/98/89/562949889.db2.gz HEXLSRUSTLQIFY-UHFFFAOYSA-N 0 0 429.520 5.000 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(C)c(C)c2)CC1=O ZINC000008587090 562950218 /nfs/dbraw/zinc/95/02/18/562950218.db2.gz FBYDDUYFJDMVBK-JOCHJYFZSA-N 0 0 433.596 5.628 50 0 IKAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)c2ccc(C)c(C)c2)c1=O ZINC000008587553 562950311 /nfs/dbraw/zinc/95/03/11/562950311.db2.gz PJTVCKXDSJFZCT-SFHVURJKSA-N 0 0 439.515 5.083 50 0 IKAARN CCOC(=O)[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)C1 ZINC000008587621 562950354 /nfs/dbraw/zinc/95/03/54/562950354.db2.gz GNHLIMRKAOEJFL-HNNXBMFYSA-N 0 0 442.968 5.388 50 0 IKAARN COc1ccc(C)cc1Nc1nc(-c2cccc(Cl)c2)c2c(n1)-c1ccccc1OC2 ZINC000008587733 562950388 /nfs/dbraw/zinc/95/03/88/562950388.db2.gz VAIBDCQESMWQRF-UHFFFAOYSA-N 0 0 429.907 6.417 50 0 IKAARN CCOc1ccccc1Nc1nc(-c2cccc(Cl)c2)c2c(n1)-c1ccccc1OC2 ZINC000008587732 562950411 /nfs/dbraw/zinc/95/04/11/562950411.db2.gz BAPXYSWGFYDJQF-UHFFFAOYSA-N 0 0 429.907 6.499 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2C)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000008588552 562950729 /nfs/dbraw/zinc/95/07/29/562950729.db2.gz XUFLORVZIPJMLZ-UHFFFAOYSA-N 0 0 445.950 5.490 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn32)cc1 ZINC000008588661 562950789 /nfs/dbraw/zinc/95/07/89/562950789.db2.gz UUIJENSZDMAQOG-UHFFFAOYSA-N 0 0 429.501 5.486 50 0 IKAARN COc1ccc(-c2cn3c(n2)sc2cc(C(=O)Nc4ccc(C)c(Cl)c4)ccc23)cc1 ZINC000008588688 562950799 /nfs/dbraw/zinc/95/07/99/562950799.db2.gz ILILEORGCSRLRI-UHFFFAOYSA-N 0 0 447.947 6.439 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NCCC5=CCCCC5)cc4sc3n2)cc1 ZINC000008588701 562950813 /nfs/dbraw/zinc/95/08/13/562950813.db2.gz WTDRJPLGJSJKGP-UHFFFAOYSA-N 0 0 431.561 5.845 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000008588798 562950862 /nfs/dbraw/zinc/95/08/62/562950862.db2.gz RQTVGPGSJYHDTQ-UHFFFAOYSA-N 0 0 427.529 5.545 50 0 IKAARN COc1cc(OC)c(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)cc1Cl ZINC000008588942 562950923 /nfs/dbraw/zinc/95/09/23/562950923.db2.gz CLNIHHHQFPPRFS-UHFFFAOYSA-N 0 0 443.883 5.408 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000008588934 562950944 /nfs/dbraw/zinc/95/09/44/562950944.db2.gz XUQJUNGZMHCHOS-UHFFFAOYSA-N 0 0 446.522 5.524 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccc(Cl)cc3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000008589008 562951011 /nfs/dbraw/zinc/95/10/11/562951011.db2.gz RPSILCYVYHCDCF-UHFFFAOYSA-N 0 0 448.950 5.648 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2OC)CCCC4)cc1 ZINC000008589103 562951065 /nfs/dbraw/zinc/95/10/65/562951065.db2.gz ILTNAIBJXGIQMD-XMMPIXPASA-N 0 0 448.588 5.824 50 0 aggregator IKAARN CCOc1ccccc1CNC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000008589123 562951077 /nfs/dbraw/zinc/95/10/77/562951077.db2.gz NPFTZLKYDBNFSD-UHFFFAOYSA-N 0 0 446.978 5.991 50 0 IKAARN O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NCCc1ccc(Cl)cc1 ZINC000008589173 562951094 /nfs/dbraw/zinc/95/10/94/562951094.db2.gz NVAGRZWJWPKZDJ-UHFFFAOYSA-N 0 0 434.942 5.774 50 0 IKAARN C[C@@H](CNC(=O)CCc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000008589137 562951103 /nfs/dbraw/zinc/95/11/03/562951103.db2.gz SPNBINHUUNSMQB-FQEVSTJZSA-N 0 0 430.979 6.196 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1Cl ZINC000008589833 562951353 /nfs/dbraw/zinc/95/13/53/562951353.db2.gz SAUVMHGWWGAEQM-UHFFFAOYSA-N 0 0 434.923 6.923 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc3nc(Nc4ccc(OC)cc4)cc(C)c3c2)cc1 ZINC000008590499 562951690 /nfs/dbraw/zinc/95/16/90/562951690.db2.gz SHEFEADIQXBCJJ-UHFFFAOYSA-N 0 0 427.504 5.485 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 ZINC000008590512 562951700 /nfs/dbraw/zinc/95/17/00/562951700.db2.gz XWEXIZXEXSODHO-UHFFFAOYSA-N 0 0 429.932 6.660 50 0 IKAARN Cc1cc(C)c(NC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2)c(C)c1 ZINC000008590859 562951876 /nfs/dbraw/zinc/95/18/76/562951876.db2.gz WJZUPLNRSZVZOV-UHFFFAOYSA-N 0 0 443.572 6.343 50 0 IKAARN CCCc1nc(SC)ncc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000008591036 562951960 /nfs/dbraw/zinc/95/19/60/562951960.db2.gz DVHQHVQESCNTLC-UHFFFAOYSA-N 0 0 425.941 5.288 50 0 IKAARN CCCN(C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12)c1cccc(C)c1 ZINC000008591191 562952016 /nfs/dbraw/zinc/95/20/16/562952016.db2.gz BHNSAULWIXPQRM-UHFFFAOYSA-N 0 0 436.552 5.040 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008592096 562952230 /nfs/dbraw/zinc/95/22/30/562952230.db2.gz JDWMWWYGHDPVEH-UHFFFAOYSA-N 0 0 430.817 5.588 50 0 IKAARN Clc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1 ZINC000008592579 562952373 /nfs/dbraw/zinc/95/23/73/562952373.db2.gz JNISJUSLMLNLOR-UHFFFAOYSA-N 0 0 439.812 7.078 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c1 ZINC000008592247 562952270 /nfs/dbraw/zinc/95/22/70/562952270.db2.gz OCMOEVQSMNZGDV-UHFFFAOYSA-N 0 0 428.488 5.168 50 0 IKAARN Cc1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000008592227 562952278 /nfs/dbraw/zinc/95/22/78/562952278.db2.gz SYZVELBUEBWBRG-QFIPXVFZSA-N 0 0 433.342 6.616 50 0 IKAARN O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4cccc(Cl)c4)cs3)cc21 ZINC000008592531 562952367 /nfs/dbraw/zinc/95/23/67/562952367.db2.gz OIOQGFREWBXZFA-INIZCTEOSA-N 0 0 432.932 5.732 50 0 IKAARN Cc1sc(-c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)nc1-c1ccc(Cl)cc1 ZINC000008592669 562952389 /nfs/dbraw/zinc/95/23/89/562952389.db2.gz KZGSVGACIURFJC-QGZVFWFLSA-N 0 0 446.959 6.040 50 0 aggregator IKAARN COc1cccc(CNC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)c1 ZINC000008592740 562952393 /nfs/dbraw/zinc/95/23/93/562952393.db2.gz FJBLIUQCVBZJPX-UHFFFAOYSA-N 0 0 444.556 5.881 50 0 IKAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1ccc(F)c(Cl)c1 ZINC000008592594 562952405 /nfs/dbraw/zinc/95/24/05/562952405.db2.gz HDQXHQMYIGHZCZ-UHFFFAOYSA-N 0 0 442.277 5.148 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc1 ZINC000008592641 562952423 /nfs/dbraw/zinc/95/24/23/562952423.db2.gz HEQCYTJMGKLLFD-UHFFFAOYSA-N 0 0 442.540 6.397 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccc1 ZINC000008592710 562952426 /nfs/dbraw/zinc/95/24/26/562952426.db2.gz DXGCAWCHTYNGNM-UHFFFAOYSA-N 0 0 432.932 5.128 50 0 aggregator IKAARN Cc1ccccc1Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCCC3 ZINC000008593547 562952770 /nfs/dbraw/zinc/95/27/70/562952770.db2.gz ODAIVQFYZPCLLI-UHFFFAOYSA-N 0 0 436.964 5.103 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NC3CCCC3)[nH]2)cc1 ZINC000008595059 562953279 /nfs/dbraw/zinc/95/32/79/562953279.db2.gz KQCUPRCEXCPBCF-UHFFFAOYSA-N 0 0 425.529 5.042 50 0 aggregator IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008595429 562953487 /nfs/dbraw/zinc/95/34/87/562953487.db2.gz IKJZPZSLIGICJC-JOCHJYFZSA-N 0 0 447.491 5.204 50 0 aggregator IKAARN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000008595520 562953529 /nfs/dbraw/zinc/95/35/29/562953529.db2.gz JGKOPOMQVORESF-VWLOTQADSA-N 0 0 443.934 6.187 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2cccs2)cc1 ZINC000008595650 562953639 /nfs/dbraw/zinc/95/36/39/562953639.db2.gz SEOQSQIZWXJFOQ-HSZRJFAPSA-N 0 0 443.528 5.373 50 0 aggregator IKAARN CCc1cccc(C)c1NC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000008598106 562954187 /nfs/dbraw/zinc/95/41/87/562954187.db2.gz PQNSRNWOYBZLFZ-UHFFFAOYSA-N 0 0 432.955 6.122 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)NCCc3cccc(C)c3)c2C)c1-c1ccc(F)cc1 ZINC000008598395 562954262 /nfs/dbraw/zinc/95/42/62/562954262.db2.gz BTYDWUVJQPYTMC-UHFFFAOYSA-N 0 0 444.554 5.061 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c(C)c1 ZINC000008598627 562954359 /nfs/dbraw/zinc/95/43/59/562954359.db2.gz BTVZHHSIFMHSJX-UHFFFAOYSA-N 0 0 441.579 5.753 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3ccccc3Cl)c2C)c1-c1ccccc1 ZINC000008598714 562954429 /nfs/dbraw/zinc/95/44/29/562954429.db2.gz WNEBKOYVTZOCSF-UHFFFAOYSA-N 0 0 432.955 5.224 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2ccc(NC(=O)c3nsc4ccccc43)cc2)cc1 ZINC000008599360 562954711 /nfs/dbraw/zinc/95/47/11/562954711.db2.gz ZKMPDBMTHUKVRH-UHFFFAOYSA-N 0 0 445.544 5.266 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O)c1cccc(C(F)(F)F)c1 ZINC000008599420 562954714 /nfs/dbraw/zinc/95/47/14/562954714.db2.gz RQIUCKRPAMUSGR-UHFFFAOYSA-N 0 0 444.478 5.922 50 0 IKAARN O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1ccccc1C(F)(F)F ZINC000008599543 562954780 /nfs/dbraw/zinc/95/47/80/562954780.db2.gz NATMIWMOFRMBNH-UHFFFAOYSA-N 0 0 428.439 5.146 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)c(C)c1 ZINC000008599610 562954806 /nfs/dbraw/zinc/95/48/06/562954806.db2.gz JBCCCCMHQPTRDB-UHFFFAOYSA-N 0 0 447.608 5.267 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Br)cc1 ZINC000008599818 562954897 /nfs/dbraw/zinc/95/48/97/562954897.db2.gz BUGOARRPDXZCOP-DEOSSOPVSA-N 0 0 445.360 6.027 50 0 aggregator,biogenic IKAARN O=C(CSc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000008600112 562954908 /nfs/dbraw/zinc/95/49/08/562954908.db2.gz SWNKKTWPUMWRAB-RUZDIDTESA-N 0 0 432.976 6.088 50 0 IKAARN COc1ccc(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000008600017 562954911 /nfs/dbraw/zinc/95/49/11/562954911.db2.gz ASTBLZXUQURXOF-MHZLTWQESA-N 0 0 442.584 5.615 50 0 IKAARN O=C(CSCc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000008599807 562954929 /nfs/dbraw/zinc/95/49/29/562954929.db2.gz OQHADESYOQZULH-SANMLTNESA-N 0 0 448.538 5.854 50 0 aggregator IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1 ZINC000008600180 562954967 /nfs/dbraw/zinc/95/49/67/562954967.db2.gz HCZVKOONTPGQDH-MHZLTWQESA-N 0 0 442.584 5.833 50 0 IKAARN COc1ccc(CCC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000008601266 562955235 /nfs/dbraw/zinc/95/52/35/562955235.db2.gz HODWRMNVZQOUFF-UHFFFAOYSA-N 0 0 434.483 5.129 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)c1 ZINC000008603013 562955883 /nfs/dbraw/zinc/95/58/83/562955883.db2.gz ARLAKLROAODTHS-UHFFFAOYSA-N 0 0 432.495 5.715 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1 ZINC000008603027 562955897 /nfs/dbraw/zinc/95/58/97/562955897.db2.gz VEUQGDFDLRGKGT-UHFFFAOYSA-N 0 0 446.591 6.140 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000008603168 562955952 /nfs/dbraw/zinc/95/59/52/562955952.db2.gz UNUAWJPNUNLMJL-UHFFFAOYSA-N 0 0 443.547 5.390 50 0 IKAARN O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1cccc(C(F)(F)F)c1 ZINC000008603444 562955994 /nfs/dbraw/zinc/95/59/94/562955994.db2.gz GTFULTYOXDQURI-UHFFFAOYSA-N 0 0 430.455 5.131 50 0 IKAARN O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008603847 562956134 /nfs/dbraw/zinc/95/61/34/562956134.db2.gz LBBPJQZRKWJMBK-UHFFFAOYSA-N 0 0 432.495 5.979 50 0 IKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1OC ZINC000008603910 562956184 /nfs/dbraw/zinc/95/61/84/562956184.db2.gz BVVSZKTZGRGPHN-UHFFFAOYSA-N 0 0 448.450 5.023 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)cc1 ZINC000008603931 562956253 /nfs/dbraw/zinc/95/62/53/562956253.db2.gz QZCAQHRGVFPISF-UHFFFAOYSA-N 0 0 428.488 5.573 50 0 IKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1N=C2C ZINC000008604294 562956375 /nfs/dbraw/zinc/95/63/75/562956375.db2.gz NSDVFVILTZCQNT-UHFFFAOYSA-N 0 0 434.992 6.535 50 0 IKAARN Fc1ccc([C@H](Nc2ccc(Cl)c(C(F)(F)F)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000008604669 562956428 /nfs/dbraw/zinc/95/64/28/562956428.db2.gz YLUXMSUUVSLRHA-IBGZPJMESA-N 0 0 447.819 6.749 50 0 aggregator IKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)NCc4ccccc4)c3c2c1 ZINC000008605960 562956923 /nfs/dbraw/zinc/95/69/23/562956923.db2.gz SMRLTRSQDHSPQV-UHFFFAOYSA-N 0 0 434.543 5.439 50 0 IKAARN Cc1ccc(-c2nn(CC(=O)NCc3ccccc3)c3c2cnc2ccc(F)cc32)cc1C ZINC000008605963 562956926 /nfs/dbraw/zinc/95/69/26/562956926.db2.gz UTRWBRQSTBHNOL-UHFFFAOYSA-N 0 0 438.506 5.324 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(C)cc32)cc1 ZINC000008605937 562956935 /nfs/dbraw/zinc/95/69/35/562956935.db2.gz AZOIIXHSYJHJPV-UHFFFAOYSA-N 0 0 426.564 5.571 50 0 IKAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1 ZINC000008606543 562957001 /nfs/dbraw/zinc/95/70/01/562957001.db2.gz JEJRMWYVHAWWRC-XMMPIXPASA-N 0 0 429.907 5.224 50 0 aggregator IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 ZINC000008606590 562957097 /nfs/dbraw/zinc/95/70/97/562957097.db2.gz KOSYNXBSDWQMER-HXUWFJFHSA-N 0 0 441.531 5.035 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 ZINC000008606591 562957102 /nfs/dbraw/zinc/95/71/02/562957102.db2.gz KOSYNXBSDWQMER-FQEVSTJZSA-N 0 0 441.531 5.035 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000008608592 562957515 /nfs/dbraw/zinc/95/75/15/562957515.db2.gz IPBZOEDCJMOCHP-UHFFFAOYSA-N 0 0 429.545 5.587 50 0 IKAARN CCN(C(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)c1cccc(C)c1 ZINC000008609089 562957622 /nfs/dbraw/zinc/95/76/22/562957622.db2.gz DBWMBLPVEODIAG-UHFFFAOYSA-N 0 0 431.923 5.078 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2c(CC)c(C)sc2[C@H]1c1ccccc1 ZINC000008609074 562957627 /nfs/dbraw/zinc/95/76/27/562957627.db2.gz IESQWSZQXSTDMA-HSZRJFAPSA-N 0 0 448.588 5.975 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1cc(C)ccc1C)c1ccccc1 ZINC000008609269 562957719 /nfs/dbraw/zinc/95/77/19/562957719.db2.gz DDYCINTXFVFLFK-UHFFFAOYSA-N 0 0 429.589 5.847 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2F)cc1F ZINC000008609351 562957773 /nfs/dbraw/zinc/95/77/73/562957773.db2.gz WWFQYPFXJSYXCI-UHFFFAOYSA-N 0 0 435.499 5.538 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008610024 562957996 /nfs/dbraw/zinc/95/79/96/562957996.db2.gz AMKKLCITLHVAAI-UHFFFAOYSA-N 0 0 436.968 5.497 50 0 IKAARN COC(=O)c1ccc(Cl)cc1NC(=O)N[C@@H](C)c1c(C)c(C)sc1-n1cccc1 ZINC000008609959 562958014 /nfs/dbraw/zinc/95/80/14/562958014.db2.gz JLVVGESCSCWCBT-ZDUSSCGKSA-N 0 0 431.945 5.478 50 0 aggregator IKAARN CCc1cccc(C)c1NC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008611148 562958380 /nfs/dbraw/zinc/95/83/80/562958380.db2.gz GPPLOKCOURTIFU-UHFFFAOYSA-N 0 0 442.563 5.094 50 0 IKAARN Cc1c(C[NH2+]CCc2ccccc2C)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000008611093 562958397 /nfs/dbraw/zinc/95/83/97/562958397.db2.gz CNHPXQYCOJLYIN-UHFFFAOYSA-N 0 0 428.935 5.285 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCc3ccc(Cl)cc3)c(C)c12 ZINC000008611363 562958555 /nfs/dbraw/zinc/95/85/55/562958555.db2.gz SGHOJWXHOOYDQT-UHFFFAOYSA-N 0 0 446.982 5.291 50 0 IKAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1 ZINC000008611460 562958570 /nfs/dbraw/zinc/95/85/70/562958570.db2.gz VSTKFRRLAVXGQV-UHFFFAOYSA-N 0 0 433.508 5.761 50 0 IKAARN CCOc1ccc(-c2cc(NC(=O)Nc3cccc(C(C)=O)c3)c(C(=O)OC)s2)cc1 ZINC000008611396 562958592 /nfs/dbraw/zinc/95/85/92/562958592.db2.gz UFJKIGFIGOKIPX-UHFFFAOYSA-N 0 0 438.505 5.447 50 0 IKAARN COc1ccccc1C(=O)c1c(N)c(-c2nc(-c3ccccc3)cs2)c2ccccn21 ZINC000008611651 562958723 /nfs/dbraw/zinc/95/87/23/562958723.db2.gz ZTZRCVTVIKLLFV-UHFFFAOYSA-N 0 0 425.513 5.552 50 0 IKAARN COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3cccc(C)c3)cc2c1 ZINC000008612051 562958919 /nfs/dbraw/zinc/95/89/19/562958919.db2.gz JFUDRPNBSGLWKO-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nc(SCC)ncc1Cl ZINC000008612055 562958931 /nfs/dbraw/zinc/95/89/31/562958931.db2.gz LFBYCSKUGKKDEY-UHFFFAOYSA-N 0 0 447.969 5.400 50 0 IKAARN CCCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)n1 ZINC000008612122 562959005 /nfs/dbraw/zinc/95/90/05/562959005.db2.gz IYJNYRHDKCQVRP-UHFFFAOYSA-N 0 0 427.957 5.488 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 ZINC000008612396 562959258 /nfs/dbraw/zinc/95/92/58/562959258.db2.gz WENKMKVIGRTHIV-UHFFFAOYSA-N 0 0 433.485 5.259 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000008612883 562959317 /nfs/dbraw/zinc/95/93/17/562959317.db2.gz IKORWCQXIZAGAD-JOCHJYFZSA-N 0 0 431.513 5.470 50 0 IKAARN Cc1cc2oc(=O)c(CC(=O)NCCc3ccccc3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000008613025 562959320 /nfs/dbraw/zinc/95/93/20/562959320.db2.gz JYLKLBYBTJVIQK-UHFFFAOYSA-N 0 0 431.532 5.355 50 0 aggregator IKAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1ccccc1Cl ZINC000008612840 562959332 /nfs/dbraw/zinc/95/93/32/562959332.db2.gz RPEIVJFFBSGXRV-UHFFFAOYSA-N 0 0 448.858 5.678 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(-c2ccccc2)n1 ZINC000008613074 562959416 /nfs/dbraw/zinc/95/94/16/562959416.db2.gz KLMNRNARRMFUGB-UHFFFAOYSA-N 0 0 435.936 5.690 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1 ZINC000008614123 562959543 /nfs/dbraw/zinc/95/95/43/562959543.db2.gz CKZKVTJXVGQRFB-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN COc1ccc(Cl)cc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000008614887 562959679 /nfs/dbraw/zinc/95/96/79/562959679.db2.gz DPNSIWVMELGVFK-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)c3cccc(C)c3[nH]2)c1 ZINC000008617327 562959730 /nfs/dbraw/zinc/95/97/30/562959730.db2.gz YUVPXZJJOVSRLQ-UHFFFAOYSA-N 0 0 430.529 5.390 50 0 IKAARN Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3cccc(Cl)c3)[nH]c12 ZINC000008617328 562959742 /nfs/dbraw/zinc/95/97/42/562959742.db2.gz SKODVASQSLJKKM-UHFFFAOYSA-N 0 0 434.948 6.035 50 0 IKAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000008619182 562959786 /nfs/dbraw/zinc/95/97/86/562959786.db2.gz CSTHJTJMOHZCIV-UHFFFAOYSA-N 0 0 430.473 5.021 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1)c1cccc(C)c1 ZINC000008619677 562960012 /nfs/dbraw/zinc/96/00/12/562960012.db2.gz DPTCVJOJCREPIS-UHFFFAOYSA-N 0 0 445.563 5.813 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000008619676 562960022 /nfs/dbraw/zinc/96/00/22/562960022.db2.gz JGJCKOLTCQKIOE-UHFFFAOYSA-N 0 0 445.975 5.555 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)cc1 ZINC000008654528 562960195 /nfs/dbraw/zinc/96/01/95/562960195.db2.gz LGFGVEORMFFFLX-UHFFFAOYSA-N 0 0 436.414 5.614 50 0 IKAARN Cc1ccc(-c2nc3c(c(SCC(=O)N4CCCCC4)n2)Cc2cc(C)ccc2O3)cc1 ZINC000008654532 562960199 /nfs/dbraw/zinc/96/01/99/562960199.db2.gz WMJZVONBVYMLSK-UHFFFAOYSA-N 0 0 445.588 5.562 50 0 IKAARN CCS(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(Cl)c1Cl ZINC000008659737 562960266 /nfs/dbraw/zinc/96/02/66/562960266.db2.gz RNPLQYHKEPYJSS-UHFFFAOYSA-N 0 0 432.781 6.231 50 0 aggregator IKAARN O=C(c1ccccc1F)N1c2nc(-c3ccco3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000008654797 562960281 /nfs/dbraw/zinc/96/02/81/562960281.db2.gz QIJZSBPYNIEYLY-QUCCMNQESA-N 0 0 434.515 5.556 50 0 biogenic IKAARN CC(NC(=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2)(C(F)(F)F)C(F)(F)F ZINC000008672261 562961095 /nfs/dbraw/zinc/96/10/95/562961095.db2.gz RQRJKOKZSFDJAQ-UHFFFAOYSA-N 0 0 448.363 5.010 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCC[C@H]3C)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000008673580 562961213 /nfs/dbraw/zinc/96/12/13/562961213.db2.gz HGAUHFNWXRZWHE-CQSZACIVSA-N 0 0 443.016 5.513 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000008673840 562961304 /nfs/dbraw/zinc/96/13/04/562961304.db2.gz QGWXDQRIOYPKAL-UHFFFAOYSA-N 0 0 433.558 5.588 50 0 aggregator IKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c1 ZINC000008673999 562961361 /nfs/dbraw/zinc/96/13/61/562961361.db2.gz BTTRTQDZQJQZTQ-UHFFFAOYSA-N 0 0 426.588 6.090 50 0 IKAARN CCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 ZINC000008678019 562961461 /nfs/dbraw/zinc/96/14/61/562961461.db2.gz KTXSYRSOTILTLI-UHFFFAOYSA-N 0 0 434.503 5.108 50 0 IKAARN COc1ccc2nc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2c1 ZINC000008682507 562961756 /nfs/dbraw/zinc/96/17/56/562961756.db2.gz JRROVPGSGCFRFE-UHFFFAOYSA-N 0 0 428.469 5.331 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2SCC(=O)NC2CCCC2)cc1 ZINC000008683345 562961918 /nfs/dbraw/zinc/96/19/18/562961918.db2.gz JJEPJRWABJVGHL-UHFFFAOYSA-N 0 0 425.529 5.042 50 0 IKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000008683812 562962006 /nfs/dbraw/zinc/96/20/06/562962006.db2.gz LMZQJGGRXMHMEB-UHFFFAOYSA-N 0 0 435.574 5.346 50 0 aggregator IKAARN Cc1nc2ccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)cc2s1 ZINC000008683788 562962017 /nfs/dbraw/zinc/96/20/17/562962017.db2.gz MDIUHSXLUNWCLE-UHFFFAOYSA-N 0 0 438.559 5.077 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C)c(C)c1 ZINC000008685532 562962523 /nfs/dbraw/zinc/96/25/23/562962523.db2.gz KASQKWYUPNRZQV-MDWZMJQESA-N 0 0 438.524 5.204 50 0 aggregator IKAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3c(s1)c1cc(C)ccc1oc3=O)CC2 ZINC000008690981 562963339 /nfs/dbraw/zinc/96/33/39/562963339.db2.gz QBSSNIZJAVVWPO-AWEZNQCLSA-N 0 0 449.528 5.093 50 0 IKAARN Cc1nn(-c2ccccc2)c(N)c1C(c1c(C)nn(-c2ccccc2)c1N)c1cccc(C)c1 ZINC000008691194 562963423 /nfs/dbraw/zinc/96/34/23/562963423.db2.gz JYRCIXJJNMPTAS-UHFFFAOYSA-N 0 0 448.574 5.328 50 0 IKAARN O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000008693951 562963762 /nfs/dbraw/zinc/96/37/62/562963762.db2.gz ITAUVHRNEHROPH-ONINPHDUSA-N 0 0 429.470 5.797 50 0 IKAARN COc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc(OC)c1O ZINC000008774750 562964069 /nfs/dbraw/zinc/96/40/69/562964069.db2.gz SELVEPWNEOLSKB-UHFFFAOYSA-N 0 0 446.553 6.218 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)cc1OC ZINC000008774376 562964087 /nfs/dbraw/zinc/96/40/87/562964087.db2.gz AQNITUOZPRWBTF-UHFFFAOYSA-N 0 0 441.512 5.781 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccc(Cl)c1Cl ZINC000008830819 562964863 /nfs/dbraw/zinc/96/48/63/562964863.db2.gz ZMJZQMFEVOTPOG-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN Cc1cc(C)cc(OCCSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c1 ZINC000008830886 562964866 /nfs/dbraw/zinc/96/48/66/562964866.db2.gz UAZCIHOWKWZEGV-UHFFFAOYSA-N 0 0 440.615 6.398 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000008830801 562964885 /nfs/dbraw/zinc/96/48/85/562964885.db2.gz IMTFKMGZYVQWSN-UHFFFAOYSA-N 0 0 434.923 6.707 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)c1 ZINC000008830921 562964956 /nfs/dbraw/zinc/96/49/56/562964956.db2.gz LZIYGEMNXWOHCH-UHFFFAOYSA-N 0 0 436.558 5.728 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccc(C)cc2)cc1 ZINC000008860284 562965331 /nfs/dbraw/zinc/96/53/31/562965331.db2.gz UVMPBFLRQWEARN-UHFFFAOYSA-N 0 0 427.573 5.246 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1cccc(OC)c1 ZINC000008860252 562965334 /nfs/dbraw/zinc/96/53/34/562965334.db2.gz YURVRHGMFLLXSK-UHFFFAOYSA-N 0 0 443.572 5.522 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)N(C)c1ccc(F)cc1 ZINC000008860195 562965366 /nfs/dbraw/zinc/96/53/66/562965366.db2.gz IWBZDNXRGZTXHN-UHFFFAOYSA-N 0 0 447.535 5.123 50 0 IKAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008932774 562966125 /nfs/dbraw/zinc/96/61/25/562966125.db2.gz SMEFSGYMVLNAOQ-UHFFFAOYSA-N 0 0 445.332 5.043 50 0 IKAARN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000009075444 562966935 /nfs/dbraw/zinc/96/69/35/562966935.db2.gz IGTHMYFIOZXWIZ-OVCLIPMQSA-N 0 0 440.830 5.034 50 0 IKAARN O=C(C=Cc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000009332355 562969307 /nfs/dbraw/zinc/96/93/07/562969307.db2.gz IQDBDUNKWBFWHB-LJJIPZOBSA-N 0 0 437.478 5.125 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000009432914 562970783 /nfs/dbraw/zinc/97/07/83/562970783.db2.gz QJLGPRAQDNVALU-YADHBBJMSA-N 0 0 438.980 5.977 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433034 562970848 /nfs/dbraw/zinc/97/08/48/562970848.db2.gz XQHTUCKCZBJKBT-ZEQRLZLVSA-N 0 0 432.589 5.886 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cn2)[C@@H]1c1cccs1 ZINC000009433232 562970856 /nfs/dbraw/zinc/97/08/56/562970856.db2.gz DODRHCDYHZWWQW-RTWAWAEBSA-N 0 0 439.968 5.372 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433032 562970872 /nfs/dbraw/zinc/97/08/72/562970872.db2.gz XQHTUCKCZBJKBT-BJKOFHAPSA-N 0 0 432.589 5.886 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)C1 ZINC000009435909 562971092 /nfs/dbraw/zinc/97/10/92/562971092.db2.gz DLAKRFSCHHTMIG-OAQYLSRUSA-N 0 0 435.321 5.449 50 0 IKAARN CCOCCCNC(=O)c1ccc2c(c1)N=C(CC)c1cc(Br)ccc1S2 ZINC000009608280 562974063 /nfs/dbraw/zinc/97/40/63/562974063.db2.gz ANXOZKCBYCVCHA-UHFFFAOYSA-N 0 0 447.398 5.601 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1)c1cccs1 ZINC000009712503 562975755 /nfs/dbraw/zinc/97/57/55/562975755.db2.gz CGTNEZPDDQEFRD-IBGZPJMESA-N 0 0 447.585 5.978 50 0 IKAARN COc1ccccc1C(=O)NCCn1cc(SCc2ccc(C)cc2)c2ccccc21 ZINC000009775758 562976769 /nfs/dbraw/zinc/97/67/69/562976769.db2.gz DFXBMARJBXDPSF-UHFFFAOYSA-N 0 0 430.573 5.681 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009857815 562977445 /nfs/dbraw/zinc/97/74/45/562977445.db2.gz JZSOQKFLFLVEQU-DNQXCXABSA-N 0 0 430.573 5.919 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)CSc2nc3ccc(NC(=O)CC)cc3s2)cc1 ZINC000009968752 562978096 /nfs/dbraw/zinc/97/80/96/562978096.db2.gz FXUUVFWDYKQSQR-CQSZACIVSA-N 0 0 443.594 5.410 50 0 IKAARN Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)[C@@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000011791096 562979247 /nfs/dbraw/zinc/97/92/47/562979247.db2.gz ONYICTGGVHGQPW-WMZHIEFXSA-N 0 0 437.543 5.078 50 0 IKAARN Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)[C@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000011791098 562979277 /nfs/dbraw/zinc/97/92/77/562979277.db2.gz ONYICTGGVHGQPW-CVDCTZTESA-N 0 0 437.543 5.078 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Br)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000013118761 562984636 /nfs/dbraw/zinc/98/46/36/562984636.db2.gz FFAINGUAPNUNTI-FRVJLOGJSA-N 0 0 437.175 5.439 50 0 IKAARN COc1ccc(C=C(NC(=O)c2ccccc2)c2nc3cc(Cl)ccc3[nH]2)cc1OC ZINC000013120258 562984641 /nfs/dbraw/zinc/98/46/41/562984641.db2.gz HRSXSWWHSPEDHY-UDWIEESQSA-N 0 0 433.895 5.162 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc(Br)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000013118763 562984672 /nfs/dbraw/zinc/98/46/72/562984672.db2.gz FFAINGUAPNUNTI-FVEFGIFQSA-N 0 0 437.175 5.439 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2ccncc2)cc1 ZINC000013283336 562985688 /nfs/dbraw/zinc/98/56/88/562985688.db2.gz QQJRJLBTZMZXDB-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000014626403 563014681 /nfs/dbraw/zinc/01/46/81/563014681.db2.gz GGSLIWWXLGZFRA-UHFFFAOYSA-N 0 0 436.939 5.247 50 0 IKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCc1ccc(OC)c(OC)c1 ZINC000019792100 563022955 /nfs/dbraw/zinc/02/29/55/563022955.db2.gz JJQNNVUYZNEBIS-UHFFFAOYSA-N 0 0 428.916 5.045 50 0 IKAARN COc1ccc(-c2nn(C)c3sc(C(=O)Nc4cccc(SC)c4)cc23)cc1OC ZINC000020233758 563024086 /nfs/dbraw/zinc/02/40/86/563024086.db2.gz VBIMVFWFYIWREC-UHFFFAOYSA-N 0 0 439.562 5.293 50 0 IKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3cccc(C(F)(F)F)c3)[nH]2)cc(OC)c1O ZINC000027548130 563043410 /nfs/dbraw/zinc/04/34/10/563043410.db2.gz GGPMKCSUHQBJPX-UHFFFAOYSA-N 0 0 440.421 6.152 50 0 IKAARN Cc1nc2cc(C(=O)NC3CCCCCC3)ccc2n1-c1ccc(Br)cc1 ZINC000038140442 563096019 /nfs/dbraw/zinc/09/60/19/563096019.db2.gz JEQGOFRWBQMJQV-UHFFFAOYSA-N 0 0 426.358 5.549 50 0 IKAARN CCCCCCc1cc2cc(-c3csc(/C=C\c4ccccc4)n3)c(=O)oc2cc1O ZINC000038166544 563096870 /nfs/dbraw/zinc/09/68/70/563096870.db2.gz HGBMOUZLBAYJRN-SEYXRHQNSA-N 0 0 431.557 6.915 50 0 IKAARN O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000038204419 563096951 /nfs/dbraw/zinc/09/69/51/563096951.db2.gz JBRNEVFTJPFTDM-VDDKRMBASA-N 0 0 428.482 6.402 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)n2)c2cccs2)c1C ZINC000038547540 563097968 /nfs/dbraw/zinc/09/79/68/563097968.db2.gz GBCAQCPCCOUMDX-JOCHJYFZSA-N 0 0 433.602 6.584 50 0 IKAARN O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 ZINC000067335424 563161028 /nfs/dbraw/zinc/16/10/28/563161028.db2.gz HIFUQJQLKLBORK-UHFFFAOYSA-N 0 0 433.838 5.805 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccccc3F)n2)cc1OC ZINC000019647176 568613121 /nfs/dbraw/zinc/61/31/21/568613121.db2.gz WMUHTPJDOQQREW-UHFFFAOYSA-N 0 0 448.494 5.439 50 0 IKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NCc4ccccc4Cl)cc3)nn2)c1 ZINC000032995626 568614474 /nfs/dbraw/zinc/61/44/74/568614474.db2.gz FWMYBJVIRUAIPV-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1nc2ccccc2n1CCC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000033019717 568614596 /nfs/dbraw/zinc/61/45/96/568614596.db2.gz HORLEAOGNQPJMQ-UHFFFAOYSA-N 0 0 437.547 5.045 50 0 IKAARN COC(=O)c1ccccc1NC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023313362 568618143 /nfs/dbraw/zinc/61/81/43/568618143.db2.gz BPOIYPCLZFGHPN-UHFFFAOYSA-N 0 0 428.532 5.627 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000020103012 568624631 /nfs/dbraw/zinc/62/46/31/568624631.db2.gz OGSACDVJHHOICT-UHFFFAOYSA-N 0 0 438.955 6.026 50 0 IKAARN CC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC(C)C)cc1 ZINC000000915647 568637040 /nfs/dbraw/zinc/63/70/40/568637040.db2.gz VCRKRTIIHLUAOB-AREMUKBSSA-N 0 0 445.559 5.773 50 0 biogenic IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000000938896 568639168 /nfs/dbraw/zinc/63/91/68/568639168.db2.gz YJMIFWVCTZEWEJ-IBGZPJMESA-N 0 0 428.323 5.129 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000000937761 568639186 /nfs/dbraw/zinc/63/91/86/568639186.db2.gz UHOHZBXNANLBIP-SFHVURJKSA-N 0 0 432.520 5.224 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2)c1-c1cc(F)cc(F)c1 ZINC000025141836 568639188 /nfs/dbraw/zinc/63/91/88/568639188.db2.gz JGKPNKUCXPJPLE-UHFFFAOYSA-N 0 0 434.486 6.475 50 0 IKAARN CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000025141984 568639364 /nfs/dbraw/zinc/63/93/64/568639364.db2.gz XCMFHVJYZGOCBQ-UHFFFAOYSA-N 0 0 441.531 5.255 50 0 IKAARN COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cc(Cl)cc(Cl)c2)C1=O ZINC000000938499 568639419 /nfs/dbraw/zinc/63/94/19/568639419.db2.gz NFMCEZBRSJYNBP-UHFFFAOYSA-N 0 0 432.090 5.091 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccccc3C(F)(F)F)n(-c3ccccc3)n2)cc1 ZINC000025143315 568639607 /nfs/dbraw/zinc/63/96/07/568639607.db2.gz UIZWCCCKANQUAG-UHFFFAOYSA-N 0 0 437.421 5.819 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(F)ccc2C)c1-c1ccc(C)cc1 ZINC000025143591 568639627 /nfs/dbraw/zinc/63/96/27/568639627.db2.gz NWGYLCBLAJVOLQ-UHFFFAOYSA-N 0 0 444.550 6.953 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000025143333 568639648 /nfs/dbraw/zinc/63/96/48/568639648.db2.gz WACJQCWLMBGCQY-UHFFFAOYSA-N 0 0 448.492 5.951 50 0 IKAARN C[C@H]1CCCN(c2cc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c3ccccc3n2)C1 ZINC000025143534 568639680 /nfs/dbraw/zinc/63/96/80/568639680.db2.gz VZEOOXZMDNJXFR-DWACAAAGSA-N 0 0 449.598 6.185 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n(-c2ccccc2C)n1 ZINC000025143487 568639708 /nfs/dbraw/zinc/63/97/08/568639708.db2.gz HBJNCRKZFVGRML-UHFFFAOYSA-N 0 0 439.515 5.585 50 0 IKAARN O=C(c1sccc1Cl)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000025142220 568639869 /nfs/dbraw/zinc/63/98/69/568639869.db2.gz LXQZLWJNBISVCG-UHFFFAOYSA-N 0 0 439.943 6.035 50 0 IKAARN Cc1ccc(F)cc1C(=O)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025142611 568640229 /nfs/dbraw/zinc/64/02/29/568640229.db2.gz HOTISHXPBZLDJF-UHFFFAOYSA-N 0 0 440.522 5.097 50 0 IKAARN COc1ccc2sc(SCc3csc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000025143913 568640409 /nfs/dbraw/zinc/64/04/09/568640409.db2.gz PSRMNTVLTIYUJR-UHFFFAOYSA-N 0 0 438.521 6.740 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2OC)c1-c1ccc(F)cc1 ZINC000025144339 568640740 /nfs/dbraw/zinc/64/07/40/568640740.db2.gz LFXPLPQIDPWFPL-UHFFFAOYSA-N 0 0 446.522 6.345 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1-c1cc(C)cc(C)c1 ZINC000025144630 568640934 /nfs/dbraw/zinc/64/09/34/568640934.db2.gz GMCSINBTNHVEFM-UHFFFAOYSA-N 0 0 444.550 6.953 50 0 IKAARN CCc1ccc(C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@H]2c2ccccc2OC)cc1 ZINC000025147105 568641148 /nfs/dbraw/zinc/64/11/48/568641148.db2.gz BSGRNWMAPGVJLQ-MHZLTWQESA-N 0 0 440.543 5.535 50 0 IKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N(C)CCc2c[nH]c3ccccc23)cc1 ZINC000025147141 568641336 /nfs/dbraw/zinc/64/13/36/568641336.db2.gz UWTSBBKGJBVZAD-UHFFFAOYSA-N 0 0 434.543 5.644 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C)c(C)c1)[C@@H]3c1ccccc1OC ZINC000025147930 568641426 /nfs/dbraw/zinc/64/14/26/568641426.db2.gz PANRMFYXVCGRPA-HHHXNRCGSA-N 0 0 440.543 5.590 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025147767 568641439 /nfs/dbraw/zinc/64/14/39/568641439.db2.gz HBGLYELXQAEFSU-LJQANCHMSA-N 0 0 430.577 5.613 50 0 IKAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000000942555 568641785 /nfs/dbraw/zinc/64/17/85/568641785.db2.gz UMZJCVKNUAHRMR-ZDUSSCGKSA-N 0 0 436.382 5.243 50 0 IKAARN CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000942772 568641903 /nfs/dbraw/zinc/64/19/03/568641903.db2.gz LSTQBOWVZCLFFL-CYBMUJFWSA-N 0 0 447.281 5.067 50 0 IKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[nH]c(=O)c21 ZINC000086057258 568642052 /nfs/dbraw/zinc/64/20/52/568642052.db2.gz VQMYPPVXYBQQQE-IBGZPJMESA-N 0 0 449.576 5.024 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025149031 568642385 /nfs/dbraw/zinc/64/23/85/568642385.db2.gz AINPDJFUKALGQN-UHFFFAOYSA-N 0 0 437.930 6.480 50 0 IKAARN CC(C)CN(CC(C)C)C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025149400 568642711 /nfs/dbraw/zinc/64/27/11/568642711.db2.gz INAIWIGQQWCIMR-UHFFFAOYSA-N 0 0 446.620 5.962 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(F)cc(F)c1)[C@@H]3c1ccccc1OC ZINC000025150218 568643060 /nfs/dbraw/zinc/64/30/60/568643060.db2.gz GZHNYQORGSACAW-RUZDIDTESA-N 0 0 448.469 5.251 50 0 IKAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025150461 568643116 /nfs/dbraw/zinc/64/31/16/568643116.db2.gz SVHCVAAPOCKRHU-AREMUKBSSA-N 0 0 429.523 6.314 50 0 IKAARN O=C(NCc1cccc(F)c1F)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025150825 568643278 /nfs/dbraw/zinc/64/32/78/568643278.db2.gz IAYQEWQVZUCKBK-UHFFFAOYSA-N 0 0 439.465 6.105 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)csc1NC(=O)c1ccco1 ZINC000000948448 568643383 /nfs/dbraw/zinc/64/33/83/568643383.db2.gz XLHWFQPAVQJWNN-UHFFFAOYSA-N 0 0 433.485 6.229 50 0 IKAARN Cc1cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1C(C)C ZINC000000946939 568643510 /nfs/dbraw/zinc/64/35/10/568643510.db2.gz SNQOYDFGIKADTK-UHFFFAOYSA-N 0 0 445.382 6.022 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1)-c1ccccc1C2 ZINC000025154183 568643594 /nfs/dbraw/zinc/64/35/94/568643594.db2.gz PXJVWGNBQJEPTB-UHFFFAOYSA-N 0 0 444.512 5.712 50 0 IKAARN O[C@H](COc1ccc(Cl)cc1Cl)Cn1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000000948012 568643761 /nfs/dbraw/zinc/64/37/61/568643761.db2.gz ZILHHWOBUVCBAA-FQEVSTJZSA-N 0 0 439.342 5.964 50 0 IKAARN Cc1c(C(=O)N[C@H](C)c2cccc3ccccc32)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000025156580 568643827 /nfs/dbraw/zinc/64/38/27/568643827.db2.gz ZYJNSAZQWXEBFI-LJQANCHMSA-N 0 0 448.570 6.472 50 0 IKAARN O[C@H](COc1ccc(Cl)cc1Cl)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000000948014 568643837 /nfs/dbraw/zinc/64/38/37/568643837.db2.gz ODYYKZUTSNTESL-SFHVURJKSA-N 0 0 427.331 5.374 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Oc1cccc(Nc2ncnc3ccccc32)c1 ZINC000000949620 568644362 /nfs/dbraw/zinc/64/43/62/568644362.db2.gz NRSAFPJFQJRCJH-UHFFFAOYSA-N 0 0 440.286 5.665 50 0 IKAARN CSc1nc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)cc2s1 ZINC000000949352 568644417 /nfs/dbraw/zinc/64/44/17/568644417.db2.gz WRXVSHZEQFAEGA-UHFFFAOYSA-N 0 0 433.583 6.547 50 0 IKAARN Cc1sc2ncnc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)c2c1C ZINC000000952940 568644983 /nfs/dbraw/zinc/64/49/83/568644983.db2.gz HUIKYYJOYANYKL-INIZCTEOSA-N 0 0 445.997 5.275 50 0 IKAARN Cc1cc(Oc2coc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3c2=O)cc(C)c1Cl ZINC000000950741 568645220 /nfs/dbraw/zinc/64/52/20/568645220.db2.gz YXCLQKNOAMHKLS-HNNXBMFYSA-N 0 0 430.884 5.574 50 0 IKAARN CCC(CC)NC(=O)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025161032 568646773 /nfs/dbraw/zinc/64/67/73/568646773.db2.gz AQDWVLIOGGYJOB-UHFFFAOYSA-N 0 0 439.584 6.826 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1CCc1ccccc1 ZINC000000953971 568647052 /nfs/dbraw/zinc/64/70/52/568647052.db2.gz IZVWWHOVBKZZMM-XMMPIXPASA-N 0 0 431.586 5.418 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000969895 568647238 /nfs/dbraw/zinc/64/72/38/568647238.db2.gz UGBBWRMDBUNWAC-RPWUZVMVSA-N 0 0 444.897 5.592 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)c2cc[nH]n2)CCCCC1 ZINC000000970308 568647592 /nfs/dbraw/zinc/64/75/92/568647592.db2.gz JLIFEIZPTULMCA-UHFFFAOYSA-N 0 0 430.552 5.011 50 0 IKAARN COc1ccc(C(=O)N(C)[C@H](C(=O)Nc2c(C)cccc2C)c2ccccc2Cl)cc1 ZINC000000973594 568647689 /nfs/dbraw/zinc/64/76/89/568647689.db2.gz PTKGOFGCYRLKJP-QHCPKHFHSA-N 0 0 436.939 5.417 50 0 IKAARN O=C1c2ccccc2C(=O)C1=C1c2ccccc2C(=O)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000000971605 568647817 /nfs/dbraw/zinc/64/78/17/568647817.db2.gz XZEIYLAQNGFBPY-HHHXNRCGSA-N 0 0 440.498 6.164 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000000976146 568648007 /nfs/dbraw/zinc/64/80/07/568648007.db2.gz FCOSZIYUBRQYCJ-UHFFFAOYSA-N 0 0 438.734 5.192 50 0 IKAARN CC(=O)n1nc(C(F)(F)F)c2c1nc1ccc(Br)cc1c2-c1ccccc1 ZINC000000978789 568648495 /nfs/dbraw/zinc/64/84/95/568648495.db2.gz IISVHUQTGRQHSD-UHFFFAOYSA-N 0 0 434.215 5.693 50 0 IKAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000000980906 568648834 /nfs/dbraw/zinc/64/88/34/568648834.db2.gz OOUBGMVQDRRIIS-RDPIHGLISA-N 0 0 433.533 5.115 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000000997568 568649311 /nfs/dbraw/zinc/64/93/11/568649311.db2.gz OQCGUMBUCNGZMK-LICLKQGHSA-N 0 0 443.883 5.473 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000999464 568649589 /nfs/dbraw/zinc/64/95/89/568649589.db2.gz YBPLQMMWUHVMFO-ZFWWWQNUSA-N 0 0 438.837 5.062 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)n1 ZINC000001009128 568650748 /nfs/dbraw/zinc/65/07/48/568650748.db2.gz WCDWEXKDXFDUHO-UHFFFAOYSA-N 0 0 433.883 5.186 50 0 IKAARN Cc1nc(-c2c[nH]nc2-c2ccc(OCc3ccc(Br)cc3)cc2O)cs1 ZINC000001003577 568650963 /nfs/dbraw/zinc/65/09/63/568650963.db2.gz NOVWEQCMKXHVCO-UHFFFAOYSA-N 0 0 442.338 5.556 50 0 IKAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccccc3OC)nc3ccccc32)c1 ZINC000001002804 568651042 /nfs/dbraw/zinc/65/10/42/568651042.db2.gz AOQIELHVQZHWJF-UHFFFAOYSA-N 0 0 426.472 5.258 50 0 IKAARN CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)Nc3ccc(Cl)cc3Cl)cc2N1 ZINC000001009263 568651227 /nfs/dbraw/zinc/65/12/27/568651227.db2.gz XWUIZJGZCOWEFQ-ZIAGYGMSSA-N 0 0 435.277 5.776 50 0 IKAARN CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)Nc3ccc(Cl)cc3Cl)cc2N1 ZINC000001009261 568651283 /nfs/dbraw/zinc/65/12/83/568651283.db2.gz XWUIZJGZCOWEFQ-KGLIPLIRSA-N 0 0 435.277 5.776 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1OC ZINC000001013142 568651892 /nfs/dbraw/zinc/65/18/92/568651892.db2.gz RHCCCKBUAJNGMP-LZYBPNLTSA-N 0 0 442.295 5.386 50 0 IKAARN CCn1cc([C@@H](C)NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c(C)n1 ZINC000001012146 568651949 /nfs/dbraw/zinc/65/19/49/568651949.db2.gz XYVKHOYRMOBIBP-OAHLLOKOSA-N 0 0 442.357 5.044 50 0 IKAARN CCSc1nc2ccc(NC(=O)CSCC(=O)Nc3c(C)cccc3C)cc2s1 ZINC000001032376 568652740 /nfs/dbraw/zinc/65/27/40/568652740.db2.gz VOYJEVYHQIBXTC-UHFFFAOYSA-N 0 0 445.635 5.336 50 0 IKAARN CC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1 ZINC000001039604 568652885 /nfs/dbraw/zinc/65/28/85/568652885.db2.gz PPTISZADKZEAMT-UHFFFAOYSA-N 0 0 429.255 5.634 50 0 IKAARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2ccc(Cl)cc2Cl)O1 ZINC000001027022 568653473 /nfs/dbraw/zinc/65/34/73/568653473.db2.gz CFOHICJDVBLLHQ-XXBNENTESA-N 0 0 444.314 5.544 50 0 IKAARN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1Br ZINC000025381101 568655643 /nfs/dbraw/zinc/65/56/43/568655643.db2.gz NJPZSDWWAQLHCN-UHFFFAOYSA-N 0 0 426.236 5.150 50 0 IKAARN CCOc1ccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000025387953 568655718 /nfs/dbraw/zinc/65/57/18/568655718.db2.gz IBQWEZNDMLNKPR-UHFFFAOYSA-N 0 0 432.545 5.015 50 0 IKAARN CCCCCn1c2ccccc2nc1SCC(=O)Nc1cccc(Br)c1 ZINC000025387453 568655821 /nfs/dbraw/zinc/65/58/21/568655821.db2.gz DLPJKAGLAVNVJV-UHFFFAOYSA-N 0 0 432.387 5.720 50 0 IKAARN Clc1ccc(SCc2nc3sc4c(c3c(NCc3ccncc3)n2)CCC4)cc1 ZINC000025387756 568655830 /nfs/dbraw/zinc/65/58/30/568655830.db2.gz HFDLWGXRGZCRFD-UHFFFAOYSA-N 0 0 439.009 6.133 50 0 IKAARN O=C1[C@@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001064744 568656080 /nfs/dbraw/zinc/65/60/80/568656080.db2.gz XVHKLEXJOAPXKI-HOCLYGCPSA-N 0 0 428.888 5.107 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000025390034 568656267 /nfs/dbraw/zinc/65/62/67/568656267.db2.gz FFJXFTHACLBBQN-UHFFFAOYSA-N 0 0 428.479 6.015 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000025389756 568656320 /nfs/dbraw/zinc/65/63/20/568656320.db2.gz PRSCPDAHSIKDOF-ZDUSSCGKSA-N 0 0 436.027 5.453 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)s2)c(C)c1 ZINC000025396588 568656460 /nfs/dbraw/zinc/65/64/60/568656460.db2.gz KNUALQOQDZPJFW-UHFFFAOYSA-N 0 0 428.627 5.076 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 ZINC000001068346 568656475 /nfs/dbraw/zinc/65/64/75/568656475.db2.gz VLZBYDFLHLSHAF-UHFFFAOYSA-N 0 0 436.558 5.677 50 0 IKAARN COc1ccc(OC)c([C@@H]2Cc3[nH]c(C(=O)OC4CCCCCC4)c(C)c3C(=O)C2)c1 ZINC000001080590 568657294 /nfs/dbraw/zinc/65/72/94/568657294.db2.gz BWZLZBVRMKSFRR-MRXNPFEDSA-N 0 0 425.525 5.133 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c(C)c1 ZINC000025424948 568657379 /nfs/dbraw/zinc/65/73/79/568657379.db2.gz IZGRXEKJEADKMT-UHFFFAOYSA-N 0 0 437.584 6.490 50 0 IKAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000001083394 568657444 /nfs/dbraw/zinc/65/74/44/568657444.db2.gz UZLQKPWMRBVAEZ-UHFFFAOYSA-N 0 0 448.302 5.983 50 0 IKAARN O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001085773 568657457 /nfs/dbraw/zinc/65/74/57/568657457.db2.gz IYEXIULEIHLVMY-UHFFFAOYSA-N 0 0 446.351 5.445 50 0 IKAARN Cc1cc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)o2)ccc1Cl ZINC000001083418 568657505 /nfs/dbraw/zinc/65/75/05/568657505.db2.gz WRSFNQQPSCGFJR-UHFFFAOYSA-N 0 0 445.946 6.663 50 0 IKAARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc4c(c2)OCO4)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001088936 568658236 /nfs/dbraw/zinc/65/82/36/568658236.db2.gz WDDRYSRFSYUBQA-XMMPIXPASA-N 0 0 427.435 5.003 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccnc1Cl ZINC000001094965 568658510 /nfs/dbraw/zinc/65/85/10/568658510.db2.gz RYQSFTICRGWUIG-UHFFFAOYSA-N 0 0 434.282 6.602 50 0 IKAARN O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N(Cc1ccccc1)c1ccccc1 ZINC000001098075 568658798 /nfs/dbraw/zinc/65/87/98/568658798.db2.gz YNMWUAFMFVALFI-JOCHJYFZSA-N 0 0 448.828 5.744 50 0 IKAARN O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000001098233 568658893 /nfs/dbraw/zinc/65/88/93/568658893.db2.gz NRROCMGXRWJEIZ-UHFFFAOYSA-N 0 0 441.980 5.776 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000001099425 568659038 /nfs/dbraw/zinc/65/90/38/568659038.db2.gz KKPRAVFWIBNXKO-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN CCc1c2c(N)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2nc2c1C(=O)CC(C)(C)C2 ZINC000001106294 568659102 /nfs/dbraw/zinc/65/91/02/568659102.db2.gz PFHLQPCMTYJMRK-UHFFFAOYSA-N 0 0 445.947 5.641 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000001103463 568660223 /nfs/dbraw/zinc/66/02/23/568660223.db2.gz QDEVMYGQHGYALP-DEOSSOPVSA-N 0 0 430.891 5.338 50 0 biogenic IKAARN O=C(c1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000001103462 568660294 /nfs/dbraw/zinc/66/02/94/568660294.db2.gz QDEVMYGQHGYALP-XMMPIXPASA-N 0 0 430.891 5.338 50 0 biogenic IKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1Cl ZINC000001103146 568660353 /nfs/dbraw/zinc/66/03/53/568660353.db2.gz BERYJOXZFMNFDR-UHFFFAOYSA-N 0 0 439.993 6.310 50 0 IKAARN COc1cccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc(OC)c(OC)c2)c3=O)c1 ZINC000001128418 568661519 /nfs/dbraw/zinc/66/15/19/568661519.db2.gz AWYXKYXKUZJHBC-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 biogenic IKAARN O=C1c2ccc(Oc3ccc(Br)cc3)cc2C(=O)N1c1cccc2ncccc21 ZINC000001153266 568664410 /nfs/dbraw/zinc/66/44/10/568664410.db2.gz GRQVYPBUKZZGCE-UHFFFAOYSA-N 0 0 445.272 5.590 50 0 IKAARN COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000034712482 568732602 /nfs/dbraw/zinc/73/26/02/568732602.db2.gz ITDDDWQZRGUEIA-UHFFFAOYSA-N 0 0 448.466 5.309 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(OC)c4)c3)nc2c1 ZINC000001172380 568735376 /nfs/dbraw/zinc/73/53/76/568735376.db2.gz GNNDZSDSEAFHEI-UHFFFAOYSA-N 0 0 445.544 5.501 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)c1 ZINC000001172493 568735516 /nfs/dbraw/zinc/73/55/16/568735516.db2.gz BGMDXPNAFDNZFN-UHFFFAOYSA-N 0 0 445.544 5.583 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000001175194 568735566 /nfs/dbraw/zinc/73/55/66/568735566.db2.gz UJAGUHJBXYREDW-UHFFFAOYSA-N 0 0 437.528 5.009 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c1 ZINC000001185213 568736178 /nfs/dbraw/zinc/73/61/78/568736178.db2.gz FUSSFKFLTQLDFI-UHFFFAOYSA-N 0 0 444.918 6.721 50 0 IKAARN Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001185591 568736212 /nfs/dbraw/zinc/73/62/12/568736212.db2.gz NZTARMYMIFBWKA-IBGZPJMESA-N 0 0 436.817 5.311 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000005859852 568738237 /nfs/dbraw/zinc/73/82/37/568738237.db2.gz BTHGGKYAWTZMCO-IAGOWNOFSA-N 0 0 430.593 5.471 50 0 IKAARN COc1ccc([C@@H]2c3cc(Cl)c4ccccc4c3Oc3ncn(C)c(=N)c32)cc1OC ZINC000137055738 568738283 /nfs/dbraw/zinc/73/82/83/568738283.db2.gz ZNQOPHZRZPZUDQ-HXUWFJFHSA-N 0 0 433.895 5.009 50 0 IKAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3nc(Cl)ccc3Cl)c(C(F)(F)F)c2)n1 ZINC000063333244 568738946 /nfs/dbraw/zinc/73/89/46/568738946.db2.gz CLZTTWYXIICVLP-UHFFFAOYSA-N 0 0 443.256 5.140 50 0 IKAARN CCc1sc(NC(=O)COc2cc(C)ccc2Cl)c(C(=O)OC)c1-c1ccccc1 ZINC000005949899 568739213 /nfs/dbraw/zinc/73/92/13/568739213.db2.gz JRRUJJUNFFHNBL-UHFFFAOYSA-N 0 0 443.952 5.743 50 0 IKAARN CCCc1cc(C(=O)Nc2sc(C)c(CC)c2C(=O)NCc2cccnc2)cs1 ZINC000005946888 568739238 /nfs/dbraw/zinc/73/92/38/568739238.db2.gz LTFBGIOBTNPHHJ-UHFFFAOYSA-N 0 0 427.595 5.210 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc([C@H](C)CC)cc2)sc2c1CCCCCC2 ZINC000005949807 568739243 /nfs/dbraw/zinc/73/92/43/568739243.db2.gz LZNFLLAQQJGKMY-MRXNPFEDSA-N 0 0 444.666 6.906 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)c1ccc(Cl)cc1 ZINC000001772403 568739526 /nfs/dbraw/zinc/73/95/26/568739526.db2.gz PDDNKDDNGRKISC-UHFFFAOYSA-N 0 0 442.854 6.611 50 0 IKAARN CC(C)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000001771761 568739550 /nfs/dbraw/zinc/73/95/50/568739550.db2.gz PEYPOSUFJHQELN-UHFFFAOYSA-N 0 0 442.389 6.319 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccc(Br)cc3)ccc2oc1C(C)(C)C ZINC000001779627 568739899 /nfs/dbraw/zinc/73/98/99/568739899.db2.gz SOKFIDPAGPOHST-UHFFFAOYSA-N 0 0 431.326 6.249 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1cccc(Cl)c1 ZINC000001807233 568740845 /nfs/dbraw/zinc/74/08/45/568740845.db2.gz XWUQGNFASQOHSZ-UHFFFAOYSA-N 0 0 439.342 6.230 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(Br)=C/c1ccccc1 ZINC000001809185 568740988 /nfs/dbraw/zinc/74/09/88/568740988.db2.gz HIBOTHWAJCOPHH-UYRXBGFRSA-N 0 0 440.724 5.946 50 0 IKAARN Cc1ccc(N2C(=O)C(Sc3ccc(Cl)cc3)=C(N(C)c3ccccc3)C2=O)c(C)c1 ZINC000001809089 568740995 /nfs/dbraw/zinc/74/09/95/568740995.db2.gz RDQZJNCOUGSICQ-UHFFFAOYSA-N 0 0 448.975 5.970 50 0 IKAARN COc1ccccc1-c1c(C)oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c1=O ZINC000001815168 568741234 /nfs/dbraw/zinc/74/12/34/568741234.db2.gz QPRCCTFQRNDHQX-UHFFFAOYSA-N 0 0 441.310 6.663 50 0 IKAARN Fc1cc2cccnc2c(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000031613245 568741244 /nfs/dbraw/zinc/74/12/44/568741244.db2.gz DNWRNKRKGIUBGA-UHFFFAOYSA-N 0 0 427.508 5.368 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)o3)co2)cc1 ZINC000031702513 568741763 /nfs/dbraw/zinc/74/17/63/568741763.db2.gz AYUHQISPFRLNAC-UHFFFAOYSA-N 0 0 428.311 5.755 50 0 IKAARN CCN(CC)[P@@]1(=Nc2ccc(C)c(C)c2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012492259 568741992 /nfs/dbraw/zinc/74/19/92/568741992.db2.gz NXIZAKIOXIQVEU-RUEYHTOUSA-N 0 0 449.583 6.878 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCC(C)C)-c2ccccc2CC32CCCC2)cc1 ZINC000001896055 568742040 /nfs/dbraw/zinc/74/20/40/568742040.db2.gz PGZLJIDMCKXFJE-UHFFFAOYSA-N 0 0 444.644 6.714 50 0 biogenic IKAARN CC1(C)CC2=NN(c3ccccc3)[P@](=O)(OC[C@@H]3CCCO3)C2=C(N2CCCCC2)C1 ZINC000012491011 568742044 /nfs/dbraw/zinc/74/20/44/568742044.db2.gz FPHJHUUUCKCBSR-PKHCJMHPSA-N 0 0 443.528 5.769 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 ZINC000001882494 568742090 /nfs/dbraw/zinc/74/20/90/568742090.db2.gz NHUADAMKWCCPMV-LJAQVGFWSA-N 0 0 445.603 6.362 50 0 biogenic IKAARN CCCCCCc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)c(C)c2oc1=O ZINC000001902818 568742146 /nfs/dbraw/zinc/74/21/46/568742146.db2.gz RPIQREXADCCXBB-UHFFFAOYSA-N 0 0 442.939 6.494 50 0 IKAARN Cc1ccc(SC2=C(Nc3cc(Cl)ccc3C)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001907281 568742164 /nfs/dbraw/zinc/74/21/64/568742164.db2.gz IAZZQLWCIXXTQY-UHFFFAOYSA-N 0 0 448.975 5.942 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000001915279 568742260 /nfs/dbraw/zinc/74/22/60/568742260.db2.gz YKMDUSOMDAYEEX-RIYZIHGNSA-N 0 0 449.934 5.731 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001935093 568742340 /nfs/dbraw/zinc/74/23/40/568742340.db2.gz IJDLEOIYMUKGSV-UHFFFAOYSA-N 0 0 442.437 5.538 50 0 IKAARN C[C@H](Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012526484 568742361 /nfs/dbraw/zinc/74/23/61/568742361.db2.gz KDWFEDCUIFBJAE-IBGZPJMESA-N 0 0 441.531 5.376 50 0 IKAARN CCN(CC)[P@]1(=Nc2cccc(C)c2C)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012524483 568742398 /nfs/dbraw/zinc/74/23/98/568742398.db2.gz NQQKOQYSALBODT-ZEGXAZIMSA-N 0 0 449.583 6.878 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000002069761 568742586 /nfs/dbraw/zinc/74/25/86/568742586.db2.gz LJTZIRDSVCTMJV-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN COCCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc21 ZINC000002108205 568742730 /nfs/dbraw/zinc/74/27/30/568742730.db2.gz HESUUBCOQIXFMM-UHFFFAOYSA-N 0 0 441.369 5.338 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 ZINC000002108357 568742803 /nfs/dbraw/zinc/74/28/03/568742803.db2.gz LQOALXBNDYAYRO-HXUWFJFHSA-N 0 0 438.571 6.600 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Cc2ccccc2)cc1 ZINC000003209625 568742996 /nfs/dbraw/zinc/74/29/96/568742996.db2.gz YNDCJNIYHOWUIY-UHFFFAOYSA-N 0 0 436.536 6.512 50 0 IKAARN CC(C)(C)C(=O)CSc1nnc(-c2c(Cl)sc3ccccc32)n1-c1ccccc1 ZINC000003230676 568743338 /nfs/dbraw/zinc/74/33/38/568743338.db2.gz QSIQQHJXSRMMMR-UHFFFAOYSA-N 0 0 442.009 6.510 50 0 IKAARN 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Cc1cc(C)c(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000003655428 568752961 /nfs/dbraw/zinc/75/29/61/568752961.db2.gz IJKSVOOBBPBYEW-UHFFFAOYSA-N 0 0 447.918 6.260 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)cc2)cc1 ZINC000003655308 568753000 /nfs/dbraw/zinc/75/30/00/568753000.db2.gz JYCVNBFWTYBBRK-UHFFFAOYSA-N 0 0 434.289 5.987 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655459 568753002 /nfs/dbraw/zinc/75/30/02/568753002.db2.gz HMLJEKZEZBRMKC-QGZVFWFLSA-N 0 0 429.472 5.387 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 ZINC000003655282 568753004 /nfs/dbraw/zinc/75/30/04/568753004.db2.gz LGXUUZPFQFTSSO-HXUWFJFHSA-N 0 0 433.847 5.096 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655436 568753014 /nfs/dbraw/zinc/75/30/14/568753014.db2.gz YJDJQFQPAFVXCL-UHFFFAOYSA-N 0 0 447.918 6.748 50 0 IKAARN COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000003655302 568753015 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CCc1ccc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc1 ZINC000003655623 568753159 /nfs/dbraw/zinc/75/31/59/568753159.db2.gz DEVZCUNAJROQCI-GOSISDBHSA-N 0 0 427.500 5.941 50 0 IKAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655585 568753174 /nfs/dbraw/zinc/75/31/74/568753174.db2.gz XRNHULYSLNTAQO-FQEVSTJZSA-N 0 0 431.463 5.907 50 0 IKAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)c1 ZINC000003655603 568753176 /nfs/dbraw/zinc/75/31/76/568753176.db2.gz BOZZUFXJVIYEFN-IBGZPJMESA-N 0 0 441.527 6.502 50 0 IKAARN CCCOc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c1 ZINC000003655555 568753194 /nfs/dbraw/zinc/75/31/94/568753194.db2.gz DLYDOWSHHKUSSC-UHFFFAOYSA-N 0 0 433.891 6.358 50 0 IKAARN Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 ZINC000003658657 568753273 /nfs/dbraw/zinc/75/32/73/568753273.db2.gz VCJNUNQPIGQREI-UHFFFAOYSA-N 0 0 439.559 7.136 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2SCc1ccc(F)cc1 ZINC000003658715 568753278 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568774922 /nfs/dbraw/zinc/77/49/22/568774922.db2.gz ZARRMMIQHOKXES-UHFFFAOYSA-N 0 0 441.483 5.594 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(OC(C)C)cc4)nc(N)c23)CO1 ZINC000001251080 568775125 /nfs/dbraw/zinc/77/51/25/568775125.db2.gz OTONTUOQWKIAFN-JOCHJYFZSA-N 0 0 429.611 5.594 50 0 IKAARN CC1(C)Cc2c(sc3ncn4nc(CSc5nc6ccccc6s5)nc4c23)CO1 ZINC000001251277 568775148 /nfs/dbraw/zinc/77/51/48/568775148.db2.gz GZTYBSWLWRQFEA-UHFFFAOYSA-N 0 0 439.591 5.092 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 ZINC000001254749 568775188 /nfs/dbraw/zinc/77/51/88/568775188.db2.gz PNHHNMUDGWPZKC-OAQYLSRUSA-N 0 0 447.947 5.950 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cc4ccccc4nc3Cl)C2)cc1 ZINC000001254750 568775256 /nfs/dbraw/zinc/77/52/56/568775256.db2.gz PNHHNMUDGWPZKC-NRFANRHFSA-N 0 0 447.947 5.950 50 0 IKAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000001254972 568775277 /nfs/dbraw/zinc/77/52/77/568775277.db2.gz IIQUPFUDMGJWFL-FQEVSTJZSA-N 0 0 428.319 5.638 50 0 IKAARN CCOC(=O)/C(=C/OCCOc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 ZINC000083261631 568775583 /nfs/dbraw/zinc/77/55/83/568775583.db2.gz LOEAMVINQZWQCO-PDGQHHTCSA-N 0 0 431.699 5.526 50 0 IKAARN COc1ccc(Nc2nc3nonc3nc2Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000001276261 568775639 /nfs/dbraw/zinc/77/56/39/568775639.db2.gz CAGUWSNPHGZLKD-UHFFFAOYSA-N 0 0 426.436 5.301 50 0 IKAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC(C)C)cc5)no4)cc3CO2)cc1 ZINC000263615822 568776166 /nfs/dbraw/zinc/77/61/66/568776166.db2.gz FIZAARSONRTOEQ-HSZRJFAPSA-N 0 0 446.507 5.058 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000059124152 568776531 /nfs/dbraw/zinc/77/65/31/568776531.db2.gz FFCXHRDEYKSSLT-UHFFFAOYSA-N 0 0 429.756 5.256 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1cccs1 ZINC000001283596 568776686 /nfs/dbraw/zinc/77/66/86/568776686.db2.gz LIHUHLWILSWRAG-KRWDZBQOSA-N 0 0 446.985 5.137 50 0 IKAARN Fc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)cc3CO2)cc1 ZINC000263616559 568776799 /nfs/dbraw/zinc/77/67/99/568776799.db2.gz JKWMLVCHBVTSGI-GOSISDBHSA-N 0 0 430.361 5.030 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263617286 568777129 /nfs/dbraw/zinc/77/71/29/568777129.db2.gz NBKOUFWCOKLAFU-SFHVURJKSA-N 0 0 446.816 5.544 50 0 IKAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263618878 568777854 /nfs/dbraw/zinc/77/78/54/568777854.db2.gz VXTKHJSQBYMCRB-IBGZPJMESA-N 0 0 442.397 5.079 50 0 IKAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263618879 568777916 /nfs/dbraw/zinc/77/79/16/568777916.db2.gz VXTKHJSQBYMCRB-LJQANCHMSA-N 0 0 442.397 5.079 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)N=C1c1ccccc1 ZINC000263618121 568778029 /nfs/dbraw/zinc/77/80/29/568778029.db2.gz RIKDYWHNNWNOEX-UHFFFAOYSA-N 0 0 441.000 5.627 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2cccc(Cl)c2)c1C ZINC000001298138 568778738 /nfs/dbraw/zinc/77/87/38/568778738.db2.gz ABYJHUBDCZKCBT-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN CSc1ccc([C@@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000001298113 568778762 /nfs/dbraw/zinc/77/87/62/568778762.db2.gz BDZCKMQGXQONBZ-JOCHJYFZSA-N 0 0 449.601 6.529 50 0 IKAARN CCOc1ccc([C@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000001298108 568778792 /nfs/dbraw/zinc/77/87/92/568778792.db2.gz WAJKDEVMUTYZLI-QHCPKHFHSA-N 0 0 447.560 6.205 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5Cl)c3c2N)CCC4)cc1 ZINC000001300202 568778963 /nfs/dbraw/zinc/77/89/63/568778963.db2.gz DDRZEXIRHHMVCI-UHFFFAOYSA-N 0 0 449.963 5.949 50 0 IKAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)c(OC)c3)ccc2c1N ZINC000001302729 568779032 /nfs/dbraw/zinc/77/90/32/568779032.db2.gz BYLKFNIWYYGFBV-UHFFFAOYSA-N 0 0 449.532 5.214 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)c1 ZINC000001300388 568779046 /nfs/dbraw/zinc/77/90/46/568779046.db2.gz XSFLLMQFNGIVMT-UHFFFAOYSA-N 0 0 449.601 6.137 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000001310398 568779500 /nfs/dbraw/zinc/77/95/00/568779500.db2.gz DTZVTNPIBQEXSN-GOSISDBHSA-N 0 0 429.701 5.687 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000001320614 568779847 /nfs/dbraw/zinc/77/98/47/568779847.db2.gz HNEHHBXWWZVGQZ-DEOSSOPVSA-N 0 0 440.326 5.309 50 0 IKAARN CCCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000001320440 568779880 /nfs/dbraw/zinc/77/98/80/568779880.db2.gz KJJXZVHYDJVDIN-NDEPHWFRSA-N 0 0 427.544 5.263 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccc(F)cc1 ZINC000001320622 568779896 /nfs/dbraw/zinc/77/98/96/568779896.db2.gz YCHPHUNOFJBUBR-HSZRJFAPSA-N 0 0 444.289 5.140 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccco1 ZINC000001322691 568780235 /nfs/dbraw/zinc/78/02/35/568780235.db2.gz QDGBIHPKDJYEOU-DEOSSOPVSA-N 0 0 435.564 6.036 50 0 biogenic IKAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1Cl ZINC000032106641 568781306 /nfs/dbraw/zinc/78/13/06/568781306.db2.gz OIZDQKMXECVEMS-HNNXBMFYSA-N 0 0 431.279 5.037 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000032109933 568781484 /nfs/dbraw/zinc/78/14/84/568781484.db2.gz KWSXGQQJOYDDAQ-UHFFFAOYSA-N 0 0 447.563 6.161 50 0 IKAARN Fc1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)cc1F ZINC000004144647 568781936 /nfs/dbraw/zinc/78/19/36/568781936.db2.gz GWCZZAUAEXKYNK-UHFFFAOYSA-N 0 0 448.420 5.919 50 0 IKAARN OCc1cnc(SCc2cccc(F)c2)n1CCC(c1ccccc1)c1ccccc1 ZINC000004155608 568782148 /nfs/dbraw/zinc/78/21/48/568782148.db2.gz SCXHWDRQFAHZQC-UHFFFAOYSA-N 0 0 432.564 6.029 50 0 IKAARN C[C@@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000248380213 568782329 /nfs/dbraw/zinc/78/23/29/568782329.db2.gz PHMCJPPPGLNKGP-KDOFPFPSSA-N 0 0 444.398 5.073 50 0 IKAARN CCc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 ZINC000083820406 568782627 /nfs/dbraw/zinc/78/26/27/568782627.db2.gz BCZLULWDBJTBHC-QFIPXVFZSA-N 0 0 439.563 6.221 50 0 IKAARN COc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c(OC)c1 ZINC000045896323 568782771 /nfs/dbraw/zinc/78/27/71/568782771.db2.gz FELAXMMOOOKSHH-UHFFFAOYSA-N 0 0 437.496 5.199 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000045942464 568783606 /nfs/dbraw/zinc/78/36/06/568783606.db2.gz CUVYJKFHPAMDFW-JOCHJYFZSA-N 0 0 434.333 6.123 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2Br)cc1 ZINC000045942425 568783609 /nfs/dbraw/zinc/78/36/09/568783609.db2.gz PCUHGJWDIHRGLZ-OAQYLSRUSA-N 0 0 438.296 5.954 50 0 IKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000045942381 568783640 /nfs/dbraw/zinc/78/36/40/568783640.db2.gz JATFQUGZBZKTDT-RUZDIDTESA-N 0 0 427.500 5.339 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942355 568783644 /nfs/dbraw/zinc/78/36/44/568783644.db2.gz BFQJRHDHJQXDBI-AREMUKBSSA-N 0 0 441.527 5.900 50 0 IKAARN COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000001383702 568784028 /nfs/dbraw/zinc/78/40/28/568784028.db2.gz IHCQXHOXJPAASF-NTEUORMPSA-N 0 0 438.321 5.689 50 0 IKAARN COC(=O)c1ccc(COc2cc(C)c3c(C)nn(-c4cccc(Cl)c4C)c3n2)cc1 ZINC000045995684 568784175 /nfs/dbraw/zinc/78/41/75/568784175.db2.gz LFWRRPGMAQFAHU-UHFFFAOYSA-N 0 0 435.911 5.365 50 0 IKAARN CCOC(=O)CSc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)n1 ZINC000001387486 568784663 /nfs/dbraw/zinc/78/46/63/568784663.db2.gz ILQBNYMZXCKZDA-UHFFFAOYSA-N 0 0 431.970 5.140 50 0 IKAARN C[C@@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000001388758 568784666 /nfs/dbraw/zinc/78/46/66/568784666.db2.gz OCBWAOBMYRODIL-MRXNPFEDSA-N 0 0 428.164 5.123 50 0 IKAARN Cc1ccc(-n2ncnc2-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1 ZINC000001387190 568784709 /nfs/dbraw/zinc/78/47/09/568784709.db2.gz YZWPOXVSHIMPTE-UHFFFAOYSA-N 0 0 431.336 5.125 50 0 IKAARN CCOC(=O)CSc1cc(CSc2ccc(Cl)cc2)nc(-c2cccnc2)n1 ZINC000001387487 568784758 /nfs/dbraw/zinc/78/47/58/568784758.db2.gz VKOUVUAGERFFIC-UHFFFAOYSA-N 0 0 431.970 5.140 50 0 IKAARN COCc1cc(Sc2ccccc2C(=O)OC)nc(SCc2ccc(Cl)cc2)n1 ZINC000001389100 568784903 /nfs/dbraw/zinc/78/49/03/568784903.db2.gz CXAGFNFDSRNZMQ-UHFFFAOYSA-N 0 0 446.981 5.507 50 0 IKAARN CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1ccnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000001392744 568785314 /nfs/dbraw/zinc/78/53/14/568785314.db2.gz YVIGFYDHUOWPGI-HNNXBMFYSA-N 0 0 441.717 5.861 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](CSc3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 ZINC000001394092 568785466 /nfs/dbraw/zinc/78/54/66/568785466.db2.gz DXGAUROYEGPQDM-YADHBBJMSA-N 0 0 438.390 6.254 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H](CSc3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 ZINC000001394093 568785491 /nfs/dbraw/zinc/78/54/91/568785491.db2.gz DXGAUROYEGPQDM-VXKWHMMOSA-N 0 0 438.390 6.254 50 0 IKAARN O=S(=O)(c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1)c1ccc(F)cc1 ZINC000001397406 568785686 /nfs/dbraw/zinc/78/56/86/568785686.db2.gz YNLQODGXDDBIPT-UHFFFAOYSA-N 0 0 435.851 5.378 50 0 IKAARN Cc1cccc(Oc2nc(S(=O)(=O)Cc3ccc(Cl)cc3)nc3c2CCCC3)c1C ZINC000001398502 568785768 /nfs/dbraw/zinc/78/57/68/568785768.db2.gz SBEARPUPHBSXNJ-UHFFFAOYSA-N 0 0 442.968 5.392 50 0 IKAARN CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C(F)(F)F ZINC000001396014 568785885 /nfs/dbraw/zinc/78/58/85/568785885.db2.gz LDHKKDNSUHXWJV-UHFFFAOYSA-N 0 0 436.242 5.498 50 0 IKAARN O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000001396493 568786035 /nfs/dbraw/zinc/78/60/35/568786035.db2.gz XLRQDNYCVZQNPE-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)cc1Cl ZINC000001396484 568786091 /nfs/dbraw/zinc/78/60/91/568786091.db2.gz UREJENZGNDTRON-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN Cn1nc(C(F)(F)F)c2cc(-c3nnc(SCc4c(F)cccc4Cl)o3)sc21 ZINC000001401898 568786487 /nfs/dbraw/zinc/78/64/87/568786487.db2.gz BSZWSVJDXFSTSF-UHFFFAOYSA-N 0 0 448.854 5.788 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1C ZINC000001405347 568786809 /nfs/dbraw/zinc/78/68/09/568786809.db2.gz VVFFLMCPINRMCO-UHFFFAOYSA-N 0 0 442.906 6.203 50 0 IKAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)c1 ZINC000083973740 568787575 /nfs/dbraw/zinc/78/75/75/568787575.db2.gz MOOGGLNLGMTSCW-PZJWPPBQSA-N 0 0 443.469 5.485 50 0 IKAARN COc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1COc1ccccc1Cl ZINC000002760331 568789044 /nfs/dbraw/zinc/78/90/44/568789044.db2.gz UKFZBVHMGIDNEB-UHFFFAOYSA-N 0 0 447.922 5.043 50 0 IKAARN CCn1c(=O)c2c(nc1SCC(=O)c1cccs1)-c1ccccc1CC21CCCC1 ZINC000001413082 568789916 /nfs/dbraw/zinc/78/99/16/568789916.db2.gz IEQZAXBTXVCABE-UHFFFAOYSA-N 0 0 436.602 5.335 50 0 IKAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccccc2)cc1OC ZINC000001413217 568790275 /nfs/dbraw/zinc/79/02/75/568790275.db2.gz CCKITGSXEPOASO-VWLOTQADSA-N 0 0 425.488 5.152 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(F)c4)c3)oc2c(C)c1 ZINC000001413906 568790291 /nfs/dbraw/zinc/79/02/91/568790291.db2.gz OOAIVIWQSKJMJL-UHFFFAOYSA-N 0 0 433.508 5.686 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)c(OC)c1 ZINC000001414039 568790334 /nfs/dbraw/zinc/79/03/34/568790334.db2.gz DLARRLQGGNHGFR-UHFFFAOYSA-N 0 0 449.429 5.838 50 0 IKAARN CC(=O)Oc1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)n2)c1 ZINC000001415755 568790542 /nfs/dbraw/zinc/79/05/42/568790542.db2.gz IMICMZLZISJBPL-UHFFFAOYSA-N 0 0 443.450 5.915 50 0 IKAARN Cc1nc(C)c(-c2nnc(SCC[S@@](=O)c3cc(Cl)ccc3Cl)o2)s1 ZINC000084062529 568790834 /nfs/dbraw/zinc/79/08/34/568790834.db2.gz OEEISXKPVAFUIF-VWLOTQADSA-N 0 0 434.395 5.017 50 0 IKAARN CCCCN(CCCC)C(=O)Nc1ccc(C)c(NC(=O)N(CCCC)CCCC)c1 ZINC000004774904 568790840 /nfs/dbraw/zinc/79/08/40/568790840.db2.gz NMCJLWHQVDLBQO-UHFFFAOYSA-N 0 0 432.653 6.863 50 0 IKAARN COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccc(C)cc2)n1 ZINC000575443173 568791496 /nfs/dbraw/zinc/79/14/96/568791496.db2.gz POUNKYBWZBYYPL-UHFFFAOYSA-N 0 0 428.492 5.384 50 0 IKAARN Clc1cccc(-c2cs/c(=N/Cc3ccccc3)n2CCc2c[nH]c3ccccc23)c1 ZINC000575443017 568791569 /nfs/dbraw/zinc/79/15/69/568791569.db2.gz NGGDTDDKIHYWDP-PBBVDAKRSA-N 0 0 444.003 6.695 50 0 IKAARN CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2csc(-c3ccccc3Cl)n2)c1C ZINC000084076893 568791605 /nfs/dbraw/zinc/79/16/05/568791605.db2.gz OULSGILVPKUYNR-NDEPHWFRSA-N 0 0 432.010 6.040 50 0 IKAARN Cc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)c3c2N)cc1 ZINC000016730616 568792361 /nfs/dbraw/zinc/79/23/61/568792361.db2.gz UWOJKESNXOLVGK-UHFFFAOYSA-N 0 0 426.463 6.412 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1ccccc1F ZINC000001421972 568793169 /nfs/dbraw/zinc/79/31/69/568793169.db2.gz MZORCZKHYOXXRE-UHFFFAOYSA-N 0 0 443.569 5.685 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc3ccccc32)n2c(nc3ccccc32)N1 ZINC000001423652 568793562 /nfs/dbraw/zinc/79/35/62/568793562.db2.gz HMOOXPCJUYVSBY-AREMUKBSSA-N 0 0 430.511 6.117 50 0 IKAARN CCOc1ccc([C@H]2Cc3[nH]c(C(=O)OCC4CCCCC4)c(C)c3C(=O)C2)cc1OC ZINC000001425711 568793766 /nfs/dbraw/zinc/79/37/66/568793766.db2.gz LRMGJHTVHZJEHJ-IBGZPJMESA-N 0 0 439.552 5.380 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1ccco1)c2NC(=O)/C=C/c1ccccc1 ZINC000001429256 568794355 /nfs/dbraw/zinc/79/43/55/568794355.db2.gz IQSZGEBFXVUHQS-ZHACJKMWSA-N 0 0 431.517 5.088 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3n2)cc1 ZINC000001431267 568795069 /nfs/dbraw/zinc/79/50/69/568795069.db2.gz AQQZVWFOZCUKQG-UHFFFAOYSA-N 0 0 431.805 5.024 50 0 IKAARN COC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000004934076 568795450 /nfs/dbraw/zinc/79/54/50/568795450.db2.gz WHMGDIMLSAAHJQ-OHPSOFBHSA-N 0 0 444.700 8.179 50 0 IKAARN Cc1nc(C2(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)CCCC2)no1 ZINC000084280668 568796776 /nfs/dbraw/zinc/79/67/76/568796776.db2.gz MTGAGNWMWDZBBT-UHFFFAOYSA-N 0 0 430.744 5.752 50 0 IKAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000084341492 568797083 /nfs/dbraw/zinc/79/70/83/568797083.db2.gz YXNZBKRIPCLLLQ-CYBMUJFWSA-N 0 0 439.305 5.026 50 0 IKAARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)c1cccnc1Cl ZINC000084357595 568797162 /nfs/dbraw/zinc/79/71/62/568797162.db2.gz IAOWQJALPQSSFH-UHFFFAOYSA-N 0 0 446.663 5.697 50 0 IKAARN O=C(NC1CCCC1)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000084387991 568797633 /nfs/dbraw/zinc/79/76/33/568797633.db2.gz QBQQFXSLEWDWOX-UHFFFAOYSA-N 0 0 447.149 5.620 50 0 IKAARN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1cc2cccc(Br)c2o1 ZINC000084493676 568798109 /nfs/dbraw/zinc/79/81/09/568798109.db2.gz WCSIWCFXLCFZCA-UHFFFAOYSA-N 0 0 447.716 5.337 50 0 IKAARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2nncn2C(C)C)cc1 ZINC000084544461 568798637 /nfs/dbraw/zinc/79/86/37/568798637.db2.gz OWDMLMMLHYVOSM-UHFFFAOYSA-N 0 0 444.583 5.036 50 0 IKAARN Cc1cc(C)cc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000001435731 568798987 /nfs/dbraw/zinc/79/89/87/568798987.db2.gz ZDGZRGTXGXIKLI-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN S=c1oc(-c2ccccc2Br)nn1CNc1ccccc1Br ZINC000001435461 568799056 /nfs/dbraw/zinc/79/90/56/568799056.db2.gz UESDYJSDVPXKLZ-UHFFFAOYSA-N 0 0 441.148 5.467 50 0 IKAARN Brc1cccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)c1 ZINC000084598168 568799086 /nfs/dbraw/zinc/79/90/86/568799086.db2.gz WCUUTUBDXBSJPT-UHFFFAOYSA-N 0 0 436.309 5.144 50 0 IKAARN CCOc1ccc(Oc2ccc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)cc2)cc1 ZINC000015607012 568799311 /nfs/dbraw/zinc/79/93/11/568799311.db2.gz QZKYKOQKQWUCLG-AREMUKBSSA-N 0 0 442.515 5.780 50 0 IKAARN COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1Br ZINC000084647714 568799486 /nfs/dbraw/zinc/79/94/86/568799486.db2.gz MRQSKAIPGPHRAA-ZDUSSCGKSA-N 0 0 447.329 5.382 50 0 IKAARN Cn1c(=S)n(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)nc1-c1ccccc1 ZINC000084673674 568799694 /nfs/dbraw/zinc/79/96/94/568799694.db2.gz FQNJDOWLGNGWIO-LJQANCHMSA-N 0 0 428.989 5.081 50 0 IKAARN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccccc1Cl ZINC000084667947 568799877 /nfs/dbraw/zinc/79/98/77/568799877.db2.gz PBQGSSIUGBITSQ-LLVKDONJSA-N 0 0 439.730 5.328 50 0 IKAARN CC[C@H](NC(=O)CCc1ccccc1Cl)c1noc(-c2cccc(Br)c2)n1 ZINC000084734893 568800613 /nfs/dbraw/zinc/80/06/13/568800613.db2.gz DDSDBFLEVCZPLD-KRWDZBQOSA-N 0 0 448.748 5.353 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1)c1cccs1 ZINC000015641604 568800709 /nfs/dbraw/zinc/80/07/09/568800709.db2.gz AOEUEZLPHRKZRN-UHFFFAOYSA-N 0 0 436.924 5.151 50 0 IKAARN CC[C@H](NC(=O)CSc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734897 568800727 /nfs/dbraw/zinc/80/07/27/568800727.db2.gz OVLSPNRINHVQRM-KRWDZBQOSA-N 0 0 446.370 5.167 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)s1 ZINC000084774032 568801327 /nfs/dbraw/zinc/80/13/27/568801327.db2.gz KXVRTSKIRWLEFM-UHFFFAOYSA-N 0 0 437.377 5.053 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c1 ZINC000015669111 568801742 /nfs/dbraw/zinc/80/17/42/568801742.db2.gz XUOARWAZTWQIFS-UHFFFAOYSA-N 0 0 434.584 5.009 50 0 IKAARN O=C(OCc1ccc(Cl)cc1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000015670762 568802324 /nfs/dbraw/zinc/80/23/24/568802324.db2.gz QAAGWDRIBSNPSU-UHFFFAOYSA-N 0 0 431.801 5.426 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000015671166 568802401 /nfs/dbraw/zinc/80/24/01/568802401.db2.gz GFMGWPSAXUFLFL-UHFFFAOYSA-N 0 0 439.515 5.399 50 0 IKAARN CCN1c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2Sc2ccccc2C1=O ZINC000015671891 568803054 /nfs/dbraw/zinc/80/30/54/568803054.db2.gz VHBFSZBJMPEVAP-UHFFFAOYSA-N 0 0 437.952 6.424 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCC1 ZINC000015672886 568803128 /nfs/dbraw/zinc/80/31/28/568803128.db2.gz XSMZGNYPZKIEIF-DEOSSOPVSA-N 0 0 427.614 5.089 50 0 IKAARN CCN1c2cc(NC(=O)Nc3ccc(C)cc3Cl)ccc2Sc2ccccc2C1=O ZINC000015671901 568803170 /nfs/dbraw/zinc/80/31/70/568803170.db2.gz NHDUFASWUNZAEM-UHFFFAOYSA-N 0 0 437.952 6.424 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000015672729 568803192 /nfs/dbraw/zinc/80/31/92/568803192.db2.gz AKKRPXRETLQFBW-AREMUKBSSA-N 0 0 449.620 5.347 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000015672443 568803262 /nfs/dbraw/zinc/80/32/62/568803262.db2.gz BGTHBSWACSICFU-MKTSZQRWSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000015672446 568803303 /nfs/dbraw/zinc/80/33/03/568803303.db2.gz VLYFGPMYOYHNRY-GTIOVZTQSA-N 0 0 449.620 5.434 50 0 IKAARN Nc1ccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1 ZINC000000827834 568803375 /nfs/dbraw/zinc/80/33/75/568803375.db2.gz YMVXUVYGTONMEM-UHFFFAOYSA-N 0 0 438.487 5.148 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000015672437 568803412 /nfs/dbraw/zinc/80/34/12/568803412.db2.gz LJTMHCINNPORGU-QVTSAQFISA-N 0 0 449.620 5.379 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(c2ccc(C)c(C)c2)C3=O)o1 ZINC000015675909 568803901 /nfs/dbraw/zinc/80/39/01/568803901.db2.gz WPCCIHDZJXMFNO-HHHXNRCGSA-N 0 0 447.579 5.418 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000015675505 568803917 /nfs/dbraw/zinc/80/39/17/568803917.db2.gz JOXQCAROHCQXTR-MHZLTWQESA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(c2cc(C)ccc2C)C3=O)o1 ZINC000015675901 568803925 /nfs/dbraw/zinc/80/39/25/568803925.db2.gz WWIWQGLGJYBZKE-HHHXNRCGSA-N 0 0 447.579 5.418 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(c2ccc(C)cc2C)C3=O)o1 ZINC000015675903 568804028 /nfs/dbraw/zinc/80/40/28/568804028.db2.gz NKUHFOZSJXURCP-MHZLTWQESA-N 0 0 447.579 5.418 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000015676989 568804307 /nfs/dbraw/zinc/80/43/07/568804307.db2.gz QOSQEJNTFODMCG-HHHXNRCGSA-N 0 0 429.564 5.208 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCCC1 ZINC000015677007 568804318 /nfs/dbraw/zinc/80/43/18/568804318.db2.gz RZOPRCPTZODWAW-HHHXNRCGSA-N 0 0 435.612 5.418 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2N)CCC4)cc1 ZINC000001439894 568804727 /nfs/dbraw/zinc/80/47/27/568804727.db2.gz BUFUCPKEMGOFNP-UHFFFAOYSA-N 0 0 449.963 5.949 50 0 IKAARN COc1ccc(CNC(=O)CCc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000015678325 568804752 /nfs/dbraw/zinc/80/47/52/568804752.db2.gz XRGCHGRDKHODJL-UHFFFAOYSA-N 0 0 432.951 5.601 50 0 IKAARN O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)N[C@H]1CCCc2ccccc21 ZINC000015678352 568804775 /nfs/dbraw/zinc/80/47/75/568804775.db2.gz YCPYLCLCFYLHCH-SANMLTNESA-N 0 0 426.535 5.955 50 0 IKAARN COc1cccc(CNC(=O)CCc2cn(Cc3cc(C)ccc3C)c3ccccc23)c1 ZINC000015678452 568805131 /nfs/dbraw/zinc/80/51/31/568805131.db2.gz RUAMRPGLKTZNKA-UHFFFAOYSA-N 0 0 426.560 5.564 50 0 IKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)c1 ZINC000015678446 568805249 /nfs/dbraw/zinc/80/52/49/568805249.db2.gz OAKWCQKIJOPUDB-UHFFFAOYSA-N 0 0 440.543 5.284 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c(SCc2ccccc2F)nc2cccnc21 ZINC000015679842 568805927 /nfs/dbraw/zinc/80/59/27/568805927.db2.gz MAUQKPIIGCNKPP-UHFFFAOYSA-N 0 0 430.508 5.874 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681480 568806703 /nfs/dbraw/zinc/80/67/03/568806703.db2.gz DEGLYKMCIZCWIL-UHFFFAOYSA-N 0 0 444.535 5.330 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)nc1COc1ccc(C)cc1 ZINC000015682122 568806883 /nfs/dbraw/zinc/80/68/83/568806883.db2.gz NUQCUPQSFPBTGS-UHFFFAOYSA-N 0 0 426.516 5.776 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3C)cc2)nc1COc1ccccc1 ZINC000015682095 568806949 /nfs/dbraw/zinc/80/69/49/568806949.db2.gz SYQLLDBHVQCRTJ-UHFFFAOYSA-N 0 0 426.516 5.510 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682161 568807081 /nfs/dbraw/zinc/80/70/81/568807081.db2.gz VLLJJIRLYWXRBZ-UHFFFAOYSA-N 0 0 429.545 5.576 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)nc1CSc1ccccc1 ZINC000015682231 568807135 /nfs/dbraw/zinc/80/71/35/568807135.db2.gz KCYYQOVMIRTWKI-UHFFFAOYSA-N 0 0 428.557 6.181 50 0 IKAARN COc1ccc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)cc1Cl ZINC000015721205 568811887 /nfs/dbraw/zinc/81/18/87/568811887.db2.gz TYCTZFBBLXIZPQ-GOSISDBHSA-N 0 0 426.925 5.136 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)cc1OC ZINC000015729517 568813438 /nfs/dbraw/zinc/81/34/38/568813438.db2.gz GIBGPHNWAMTTHH-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)cc1OC ZINC000015729510 568813472 /nfs/dbraw/zinc/81/34/72/568813472.db2.gz PJUPGMOJUJTIOE-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4C)ccc3c2C)cc1OC ZINC000015729391 568813493 /nfs/dbraw/zinc/81/34/93/568813493.db2.gz YKUJPCSBUWMVLP-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccc(C)cc4)cc3c2C)c1 ZINC000015729503 568813528 /nfs/dbraw/zinc/81/35/28/568813528.db2.gz AQAZKVOCNGJTMY-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)c1 ZINC000015729509 568813532 /nfs/dbraw/zinc/81/35/32/568813532.db2.gz HQIYHQVGVVDELW-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)/C=C/c4ccccc4)cc3c2C)c1 ZINC000015729513 568813533 /nfs/dbraw/zinc/81/35/33/568813533.db2.gz ZTGWPYPTEODJEY-NTEUORMPSA-N 0 0 441.483 5.641 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4C)cc3c2C)c1 ZINC000015729505 568813537 /nfs/dbraw/zinc/81/35/37/568813537.db2.gz LBADARSCRVVEJA-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000015732176 568815035 /nfs/dbraw/zinc/81/50/35/568815035.db2.gz GOFCXRRZLNNAHM-GUMMOOENSA-N 0 0 443.616 6.122 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1C ZINC000015733546 568815815 /nfs/dbraw/zinc/81/58/15/568815815.db2.gz XYXFBRWZHNKUKF-OAQYLSRUSA-N 0 0 447.922 6.162 50 0 IKAARN COc1ccc(-c2nc(COc3ccccc3-c3nnc(-c4ccccc4)o3)c(C)o2)cc1 ZINC000015733436 568815819 /nfs/dbraw/zinc/81/58/19/568815819.db2.gz JCUDYXMFMJFDPY-UHFFFAOYSA-N 0 0 439.471 5.955 50 0 IKAARN COc1ccccc1-c1nc(COc2ccccc2-c2nnc(-c3ccccc3)o2)c(C)o1 ZINC000015733552 568815872 /nfs/dbraw/zinc/81/58/72/568815872.db2.gz NJTCZDMTZZUEMB-UHFFFAOYSA-N 0 0 439.471 5.955 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)N1CCCc2ccccc21 ZINC000015733483 568815904 /nfs/dbraw/zinc/81/59/04/568815904.db2.gz PJBSWRQRSGDPBB-HSZRJFAPSA-N 0 0 439.515 5.540 50 0 IKAARN Cc1nc2ccccc2n1-c1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1 ZINC000001446101 568816263 /nfs/dbraw/zinc/81/62/63/568816263.db2.gz UDWUUPUJHBSAFB-UHFFFAOYSA-N 0 0 444.502 5.174 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1 ZINC000085388847 568816671 /nfs/dbraw/zinc/81/66/71/568816671.db2.gz HOMMNISWVQZSRX-KOSHJBKYSA-N 0 0 431.967 6.889 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC2CCCC2)CCCC4)cc1 ZINC000015735360 568816730 /nfs/dbraw/zinc/81/67/30/568816730.db2.gz AXOUVTDRBGGDJB-RUZDIDTESA-N 0 0 445.632 6.283 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(Cl)c1C)CCCC3 ZINC000015735663 568816898 /nfs/dbraw/zinc/81/68/98/568816898.db2.gz VVSTWCKODUDMNJ-FQEVSTJZSA-N 0 0 440.012 6.878 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)Nc4cccc(C)c4C)cc3)c2n1 ZINC000015735991 568817063 /nfs/dbraw/zinc/81/70/63/568817063.db2.gz IFNQWFGHTPDBNL-UHFFFAOYSA-N 0 0 449.558 5.756 50 0 IKAARN CSc1cccc(NC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)c1 ZINC000015736071 568817156 /nfs/dbraw/zinc/81/71/56/568817156.db2.gz LGCLPXKKETUAOR-UHFFFAOYSA-N 0 0 435.574 5.334 50 0 IKAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O ZINC000001448173 568817438 /nfs/dbraw/zinc/81/74/38/568817438.db2.gz KVJWWVNIYWDIFX-UHFFFAOYSA-N 0 0 434.419 5.651 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccccc1Br)c2=O ZINC000001448162 568817493 /nfs/dbraw/zinc/81/74/93/568817493.db2.gz YQCZZOWEZDNOKR-UHFFFAOYSA-N 0 0 446.297 5.497 50 0 IKAARN Cc1oc2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2c1C(=O)OC(C)C ZINC000001447874 568817646 /nfs/dbraw/zinc/81/76/46/568817646.db2.gz MNWZSHGVIYSWGN-UHFFFAOYSA-N 0 0 429.472 6.644 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccc(OC)cc2)cc1 ZINC000001447754 568817698 /nfs/dbraw/zinc/81/76/98/568817698.db2.gz VIAXBTCNWOOGPK-UHFFFAOYSA-N 0 0 436.515 6.238 50 0 IKAARN COc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CCC(=O)NC(C)C)cc1 ZINC000085410158 568817830 /nfs/dbraw/zinc/81/78/30/568817830.db2.gz ALFOQNYFEPGMRR-UHFFFAOYSA-N 0 0 447.966 5.788 50 0 IKAARN Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CCC(=O)NCC(C)C)n3c2)c1 ZINC000085410352 568817875 /nfs/dbraw/zinc/81/78/75/568817875.db2.gz CHXDFMZWSKLKPW-UHFFFAOYSA-N 0 0 425.576 5.990 50 0 IKAARN O=C(CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3)cn21)NCCc1ccccn1 ZINC000085410979 568817995 /nfs/dbraw/zinc/81/79/95/568817995.db2.gz WASSXSQEHBWEQI-UHFFFAOYSA-N 0 0 446.554 5.355 50 0 IKAARN COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccc(F)cc1 ZINC000085411816 568818036 /nfs/dbraw/zinc/81/80/36/568818036.db2.gz STOIZOANMHTBKQ-NRFANRHFSA-N 0 0 441.528 5.370 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000011582352 568818292 /nfs/dbraw/zinc/81/82/92/568818292.db2.gz JSOJSWOILFOYBD-NJDAHSKKSA-N 0 0 439.298 5.045 50 0 IKAARN COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccccc1F ZINC000085412235 568818296 /nfs/dbraw/zinc/81/82/96/568818296.db2.gz UMXKUYBTERFLHI-OAQYLSRUSA-N 0 0 441.528 5.370 50 0 IKAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccccc1F ZINC000085412297 568818449 /nfs/dbraw/zinc/81/84/49/568818449.db2.gz QQDWTAXNHYFUJY-NRFANRHFSA-N 0 0 441.528 5.370 50 0 IKAARN COC(=O)[C@H]([C@@H](O)c1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2)C(C)(C)C ZINC000005383907 568819222 /nfs/dbraw/zinc/81/92/22/568819222.db2.gz RQOQZQMSBXEDKQ-DQEYMECFSA-N 0 0 436.636 6.722 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1OC ZINC000001454641 568819233 /nfs/dbraw/zinc/81/92/33/568819233.db2.gz YYTUVIRFAQJWQG-UHFFFAOYSA-N 0 0 436.891 6.018 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001465550 568820199 /nfs/dbraw/zinc/82/01/99/568820199.db2.gz YYMFVOVFCOOERB-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063583720 568820415 /nfs/dbraw/zinc/82/04/15/568820415.db2.gz RSEZAXPCMXLVGT-UHFFFAOYSA-N 0 0 435.977 5.310 50 0 IKAARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1coc(-c2cccc(F)c2)n1 ZINC000026005154 568820456 /nfs/dbraw/zinc/82/04/56/568820456.db2.gz GWYBTIADRVVVBR-UHFFFAOYSA-N 0 0 437.883 5.621 50 0 IKAARN C[C@@H](NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2Cl)CC1)c1ccccc1Cl ZINC000015766262 568821108 /nfs/dbraw/zinc/82/11/08/568821108.db2.gz UMBUAVTUMBZSKT-MRLCAUJQSA-N 0 0 447.406 5.854 50 0 IKAARN CCCCCCc1ccc(NC(=S)N[C@H](NC(=O)OC)C(Cl)(Cl)Cl)cc1 ZINC000006077878 568821217 /nfs/dbraw/zinc/82/12/17/568821217.db2.gz FGELJTGCOGMKPW-CQSZACIVSA-N 0 0 440.824 5.148 50 0 IKAARN Cn1c(-c2ccc(Oc3ccc(-c4csc(=S)n4C)cc3)cc2)csc1=S ZINC000015769160 568822155 /nfs/dbraw/zinc/82/21/55/568822155.db2.gz AGMIWLREKAWRBO-UHFFFAOYSA-N 0 0 428.629 7.072 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)Nc1ccc(F)c(Cl)c1 ZINC000015770934 568822503 /nfs/dbraw/zinc/82/25/03/568822503.db2.gz PGVZJPZPKHSTMC-UHFFFAOYSA-N 0 0 439.849 5.114 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1ccccc1Cl ZINC000015770971 568822550 /nfs/dbraw/zinc/82/25/50/568822550.db2.gz WWQLRZZMACXWFC-UHFFFAOYSA-N 0 0 438.314 5.490 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])cc1 ZINC000015776903 568823575 /nfs/dbraw/zinc/82/35/75/568823575.db2.gz KKVMLFLXDDAXBR-UHFFFAOYSA-N 0 0 426.557 5.045 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1c(C)cccc1C ZINC000015783553 568827061 /nfs/dbraw/zinc/82/70/61/568827061.db2.gz NVZYMHOVEGQMBP-UXHICEINSA-N 0 0 448.592 5.068 50 0 IKAARN Clc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013552227 568828285 /nfs/dbraw/zinc/82/82/85/568828285.db2.gz IOTFSPZKZUXBDY-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN Clc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013552224 568828325 /nfs/dbraw/zinc/82/83/25/568828325.db2.gz IOTFSPZKZUXBDY-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(CNC(=O)[C@@H](CC)c2ccccc2)cc1)c1ccccc1 ZINC000013968954 568828684 /nfs/dbraw/zinc/82/86/84/568828684.db2.gz UTTPTXKXMBIPQN-WMPKNSHKSA-N 0 0 428.576 5.307 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(F)c4)no3)o2)cc1 ZINC000085644058 568829089 /nfs/dbraw/zinc/82/90/89/568829089.db2.gz QTOVTDRXLVEVEM-UHFFFAOYSA-N 0 0 440.496 5.308 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)cc1F ZINC000085644642 568829588 /nfs/dbraw/zinc/82/95/88/568829588.db2.gz SMPFQXCSYROJGQ-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)c1 ZINC000015785087 568829850 /nfs/dbraw/zinc/82/98/50/568829850.db2.gz XLVNOHVPEYEFCM-UHFFFAOYSA-N 0 0 429.495 5.213 50 0 IKAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(Oc2ccccc2)cc1 ZINC000015785230 568830001 /nfs/dbraw/zinc/83/00/01/568830001.db2.gz DFYHKTZTCZJOHD-UHFFFAOYSA-N 0 0 443.503 6.175 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)C[C@H]2C)c1 ZINC000015785089 568830052 /nfs/dbraw/zinc/83/00/52/568830052.db2.gz DEYMAEBDGGXTFE-GOSISDBHSA-N 0 0 429.495 5.293 50 0 IKAARN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccccc1C(F)(F)F ZINC000015785222 568830068 /nfs/dbraw/zinc/83/00/68/568830068.db2.gz JSMNHNATBJNREN-UHFFFAOYSA-N 0 0 435.858 5.916 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(C)cc3)n2)cc1 ZINC000085649650 568831072 /nfs/dbraw/zinc/83/10/72/568831072.db2.gz SCVAGORKNWMKKX-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1Cl ZINC000085649711 568831096 /nfs/dbraw/zinc/83/10/96/568831096.db2.gz WHYRKIBLCYAJRC-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000085649493 568831115 /nfs/dbraw/zinc/83/11/15/568831115.db2.gz RZDXHKJGCWYXRM-QGZVFWFLSA-N 0 0 442.494 5.526 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649726 568831118 /nfs/dbraw/zinc/83/11/18/568831118.db2.gz MHWCXLGDDNFYLC-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1OC ZINC000085649742 568831131 /nfs/dbraw/zinc/83/11/31/568831131.db2.gz DCSADFARJOQPCW-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1OC ZINC000085649858 568831246 /nfs/dbraw/zinc/83/12/46/568831246.db2.gz GRBWIBZYGLSPCL-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649788 568831264 /nfs/dbraw/zinc/83/12/64/568831264.db2.gz OPQVNMFVASQUIW-LJQANCHMSA-N 0 0 440.522 5.777 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c(OC)c1 ZINC000085649887 568831306 /nfs/dbraw/zinc/83/13/06/568831306.db2.gz UJWOVBDFGWYMCZ-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN COc1ccc(Nc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cc3occc32)cc1 ZINC000085651121 568831810 /nfs/dbraw/zinc/83/18/10/568831810.db2.gz UULUWTMHHNJDQJ-UHFFFAOYSA-N 0 0 441.531 5.675 50 0 IKAARN CC(=O)N1N=C(c2ccccc2Cl)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000015785703 568831828 /nfs/dbraw/zinc/83/18/28/568831828.db2.gz FMWANQZARNFAOY-RUZDIDTESA-N 0 0 427.891 5.794 50 0 IKAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc3[nH]2)cc1 ZINC000085653763 568832394 /nfs/dbraw/zinc/83/23/94/568832394.db2.gz XLIBRAAYSFAZCJ-UHFFFAOYSA-N 0 0 426.520 5.176 50 0 IKAARN Cc1cccc(NC(=O)c2ccc3[nH]c(CCc4ccc(NC(=O)C(C)C)cc4)nc3c2)c1 ZINC000085653843 568832503 /nfs/dbraw/zinc/83/25/03/568832503.db2.gz IVTHXQGTYGXMRU-UHFFFAOYSA-N 0 0 440.547 5.503 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3[nH]c(CCc4ccc(NC(=O)C(C)C)cc4)nc3c2)cc1 ZINC000085653833 568832608 /nfs/dbraw/zinc/83/26/08/568832608.db2.gz AAHNJMCYVJWLRJ-UHFFFAOYSA-N 0 0 440.547 5.503 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2cccc(Cl)c2)c1C ZINC000085711075 568835003 /nfs/dbraw/zinc/83/50/03/568835003.db2.gz NKOPZXVCGGSCPV-UHFFFAOYSA-N 0 0 438.955 5.613 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000085703899 568835381 /nfs/dbraw/zinc/83/53/81/568835381.db2.gz OAPKTFKJUFHRQH-UHFFFAOYSA-N 0 0 449.923 5.018 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)c2ccc(OCC)cc2)c1C ZINC000085711478 568835437 /nfs/dbraw/zinc/83/54/37/568835437.db2.gz HZKWMXKPYLTSED-UHFFFAOYSA-N 0 0 434.536 5.050 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cc(Cl)ccc2C)C2CCCCC2)c1C ZINC000085712299 568835459 /nfs/dbraw/zinc/83/54/59/568835459.db2.gz SVBCMEJCFUTXDB-UHFFFAOYSA-N 0 0 445.991 6.137 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C)c1C ZINC000085711682 568835725 /nfs/dbraw/zinc/83/57/25/568835725.db2.gz VONNVYXKGANXMG-UHFFFAOYSA-N 0 0 438.955 5.613 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2Cl)C(=O)c2cccs2)c1C ZINC000085711790 568835953 /nfs/dbraw/zinc/83/59/53/568835953.db2.gz AMZCWWYXHUTDMU-UHFFFAOYSA-N 0 0 430.957 5.366 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2cc(C)ccc2C)c1C ZINC000085711856 568836080 /nfs/dbraw/zinc/83/60/80/568836080.db2.gz XZKRVEGSMIGNHO-UHFFFAOYSA-N 0 0 447.579 5.968 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000085711859 568836102 /nfs/dbraw/zinc/83/61/02/568836102.db2.gz WOVQTGXUEQVCCM-UHFFFAOYSA-N 0 0 447.579 5.968 50 0 IKAARN COc1cc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc(OC)c1 ZINC000015786727 568836254 /nfs/dbraw/zinc/83/62/54/568836254.db2.gz UGTBOFOSICCLMQ-UHFFFAOYSA-N 0 0 449.942 5.008 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000000731752 568836401 /nfs/dbraw/zinc/83/64/01/568836401.db2.gz AYANAPLZLJPHLM-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(Cl)cc1 ZINC000000860539 568836510 /nfs/dbraw/zinc/83/65/10/568836510.db2.gz POZXTCKYNNQOET-UHFFFAOYSA-N 0 0 432.936 5.590 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccccc3c2=O)cc1 ZINC000001088874 568836676 /nfs/dbraw/zinc/83/66/76/568836676.db2.gz BIOJWACKOBIXHZ-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN O=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000002983487 568836789 /nfs/dbraw/zinc/83/67/89/568836789.db2.gz CNQOHTQEPNLYAH-UHFFFAOYSA-N 0 0 444.491 5.107 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000019703245 568836867 /nfs/dbraw/zinc/83/68/67/568836867.db2.gz ZMUNWOYASSHYBX-FCHUYYIVSA-N 0 0 425.370 5.139 50 0 biogenic IKAARN Brc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000002238908 568836895 /nfs/dbraw/zinc/83/68/95/568836895.db2.gz JBYBTQWIQANGEN-QPJJXVBHSA-N 0 0 449.377 5.897 50 0 IKAARN COC(=O)C[C@H](c1ccccc1)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000085876242 568837921 /nfs/dbraw/zinc/83/79/21/568837921.db2.gz GANPZDPJBQGNNC-OAQYLSRUSA-N 0 0 444.483 5.172 50 0 biogenic IKAARN O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000001512511 568837930 /nfs/dbraw/zinc/83/79/30/568837930.db2.gz DBNLRJORVQJJCP-NRFANRHFSA-N 0 0 445.320 5.317 50 0 IKAARN O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C2SCCS2)cc1 ZINC000015787725 568837986 /nfs/dbraw/zinc/83/79/86/568837986.db2.gz ZSPBPCAHUMFPEM-HXUWFJFHSA-N 0 0 433.042 5.386 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000002260352 568838308 /nfs/dbraw/zinc/83/83/08/568838308.db2.gz ZYWLOAUPQIJIKM-UHFFFAOYSA-N 0 0 434.992 6.629 50 0 IKAARN CC(C)[C@@H](C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000106679549 568839175 /nfs/dbraw/zinc/83/91/75/568839175.db2.gz PVSXJQQYPSBHFU-RTBURBONSA-N 0 0 439.987 5.866 50 0 IKAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000085988080 568839641 /nfs/dbraw/zinc/83/96/41/568839641.db2.gz OJEQSTMEUWWUNH-DLBZAZTESA-N 0 0 426.141 5.266 50 0 IKAARN Cc1ccc(OCC(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1C ZINC000015821227 568839890 /nfs/dbraw/zinc/83/98/90/568839890.db2.gz CHYMHVVXYVAOBO-UHFFFAOYSA-N 0 0 431.923 5.827 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)c1 ZINC000015822687 568840040 /nfs/dbraw/zinc/84/00/40/568840040.db2.gz JWLZHPYBUYAMGB-RUZDIDTESA-N 0 0 430.935 6.008 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1cccc(F)c1 ZINC000015824641 568840615 /nfs/dbraw/zinc/84/06/15/568840615.db2.gz ZIQVJCPKYVZIKC-UHFFFAOYSA-N 0 0 432.904 5.193 50 0 IKAARN CN1c2ccc(NC(=O)c3ccc(Br)o3)cc2Sc2ccccc2C1=O ZINC000015826021 568840683 /nfs/dbraw/zinc/84/06/83/568840683.db2.gz ZFFQZPAMPFLXTO-UHFFFAOYSA-N 0 0 429.295 5.036 50 0 IKAARN COc1ccc(-c2nc(C)c(-c3ccc(SCc4cc(C)ccc4C)nn3)s2)cc1 ZINC000015826154 568840750 /nfs/dbraw/zinc/84/07/50/568840750.db2.gz XBYLRRDZUAUCGW-UHFFFAOYSA-N 0 0 433.602 6.493 50 0 IKAARN CN1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2Sc2ccccc2C1=O ZINC000015826068 568840768 /nfs/dbraw/zinc/84/07/68/568840768.db2.gz XKEKSYOYXLRIGM-UHFFFAOYSA-N 0 0 428.435 5.699 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000015825939 568840813 /nfs/dbraw/zinc/84/08/13/568840813.db2.gz ZPGHCZOPXJJDHJ-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN O=C(Nc1c(Br)cccc1Br)c1ccccc1Br ZINC000000641378 568841642 /nfs/dbraw/zinc/84/16/42/568841642.db2.gz GUOLIHILMFEXOV-UHFFFAOYSA-N 0 0 433.925 5.226 50 0 IKAARN COc1ccc(NC(=O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)c(OC)c1 ZINC000004541993 568841774 /nfs/dbraw/zinc/84/17/74/568841774.db2.gz UEMIYMWJAOJSPU-UHFFFAOYSA-N 0 0 425.095 5.335 50 0 IKAARN COc1ccc(CCNC(=O)CCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000004542723 568841794 /nfs/dbraw/zinc/84/17/94/568841794.db2.gz GTULABAMSOCZSS-UHFFFAOYSA-N 0 0 428.326 5.009 50 0 IKAARN O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(Br)cc1Cl ZINC000004543214 568841923 /nfs/dbraw/zinc/84/19/23/568841923.db2.gz KKBCKKXWKLIUKP-UHFFFAOYSA-N 0 0 443.939 6.080 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Oc1c(Cl)cc(Cl)cc1Br ZINC000002143126 568841959 /nfs/dbraw/zinc/84/19/59/568841959.db2.gz MKPZEQGIRFXSPC-UHFFFAOYSA-N 0 0 429.019 6.386 50 0 IKAARN CCCC[C@H](CC)COP(=O)(CC(=O)N(C(C)C)C(C)C)OC[C@@H](CC)CCCC ZINC000004800469 568842026 /nfs/dbraw/zinc/84/20/26/568842026.db2.gz PMVZQRVSGKUIPE-GOTSBHOMSA-N 0 0 447.641 7.291 50 0 IKAARN Clc1sc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl ZINC000002173378 568842211 /nfs/dbraw/zinc/84/22/11/568842211.db2.gz SPSKFJBZIHKWSO-UHFFFAOYSA-N 0 0 435.801 8.642 50 0 IKAARN Clc1ccc(C2=CS/C(=C3/SC=C(c4ccc(Cl)cc4)S3)S2)cc1 ZINC000003107564 568842247 /nfs/dbraw/zinc/84/22/47/568842247.db2.gz AMCGRPHXJZXVHR-ISLYRVAYSA-N 0 0 425.452 8.377 50 0 IKAARN COc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000028064968 568842725 /nfs/dbraw/zinc/84/27/25/568842725.db2.gz QIQFAXWYJKSKHG-JOCHJYFZSA-N 0 0 431.586 6.544 50 0 IKAARN COc1ccc(OC)c(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)n2)c1 ZINC000028064487 568842741 /nfs/dbraw/zinc/84/27/41/568842741.db2.gz MZNIODFXJNPKGM-OAQYLSRUSA-N 0 0 447.585 6.245 50 0 IKAARN COc1ccc(C(c2c(O)ccc3ccccc32)c2c(O)ccc3ccccc32)cc1OC ZINC000025694579 568842745 /nfs/dbraw/zinc/84/27/45/568842745.db2.gz BWWQTJUFBNSMGD-UHFFFAOYSA-N 0 0 436.507 6.602 50 0 IKAARN Cc1ccc([C@H](CC(=O)c2cccs2)Sc2nnc(Cc3cccs3)n2N)cc1 ZINC000045067842 568843124 /nfs/dbraw/zinc/84/31/24/568843124.db2.gz JYEKXZUSBDVCQU-IBGZPJMESA-N 0 0 440.619 5.121 50 0 IKAARN C(=C(\c1ccccc1)c1cccc(/C(=C\c2ccccc2)c2ccccc2)c1)\c1ccccc1 ZINC000071782900 568843393 /nfs/dbraw/zinc/84/33/93/568843393.db2.gz AZNLZXJCYWEKOV-YGHWPNAVSA-N 0 0 434.582 8.864 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1cccs1 ZINC000015838214 568844266 /nfs/dbraw/zinc/84/42/66/568844266.db2.gz VHYZKFBOPDQWCM-UHFFFAOYSA-N 0 0 426.328 6.431 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000015838210 568844292 /nfs/dbraw/zinc/84/42/92/568844292.db2.gz YQVGFWNQWGZOMN-UHFFFAOYSA-N 0 0 445.906 5.734 50 0 IKAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n2CCCC ZINC000006132037 568844991 /nfs/dbraw/zinc/84/49/91/568844991.db2.gz XYMRGSUQRNNVBZ-UHFFFAOYSA-N 0 0 449.617 5.346 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000006138496 568845209 /nfs/dbraw/zinc/84/52/09/568845209.db2.gz QHYJAVLDQACXJB-UHFFFAOYSA-N 0 0 425.623 5.952 50 0 IKAARN O=c1oc2ccccc2cc1-c1cn(-c2ccc(Cl)cc2)c(SCc2ccccc2)n1 ZINC000006143348 568845693 /nfs/dbraw/zinc/84/56/93/568845693.db2.gz LVQKWKLKFSOIPF-UHFFFAOYSA-N 0 0 444.943 6.591 50 0 IKAARN Clc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c(Cl)c1 ZINC000006143838 568845829 /nfs/dbraw/zinc/84/58/29/568845829.db2.gz YGJCLAXNTMNBIY-UHFFFAOYSA-N 0 0 438.177 6.723 50 0 IKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000006143795 568845908 /nfs/dbraw/zinc/84/59/08/568845908.db2.gz MXTINYZEBJQTFE-UHFFFAOYSA-N 0 0 425.706 6.596 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)nc1 ZINC000006144073 568845978 /nfs/dbraw/zinc/84/59/78/568845978.db2.gz XLSBSJROHAHCLN-UHFFFAOYSA-N 0 0 430.529 5.756 50 0 IKAARN CCc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000101638871 568846393 /nfs/dbraw/zinc/84/63/93/568846393.db2.gz MPBXHPONGCMAOM-QHCPKHFHSA-N 0 0 430.349 6.417 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccco1 ZINC000015859318 568847266 /nfs/dbraw/zinc/84/72/66/568847266.db2.gz NTFLEWZBTPBLFN-QFIPXVFZSA-N 0 0 436.895 5.353 50 0 IKAARN COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCOCC1 ZINC000015859471 568847592 /nfs/dbraw/zinc/84/75/92/568847592.db2.gz BTRIUIKXSCDTDY-RUZDIDTESA-N 0 0 442.515 5.115 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000015859606 568847846 /nfs/dbraw/zinc/84/78/46/568847846.db2.gz CAXDFBMVUAQXIA-SANMLTNESA-N 0 0 440.543 5.724 50 0 IKAARN O=C(CSc1ccc2ccccc2n1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000006159016 568848208 /nfs/dbraw/zinc/84/82/08/568848208.db2.gz DGFMSDRBSBGCJT-UHFFFAOYSA-N 0 0 427.554 6.242 50 0 IKAARN COc1cc(-c2nc3ccccc3n2Cc2ccc(F)cc2Cl)cc(OC)c1OC ZINC000015861493 568848222 /nfs/dbraw/zinc/84/82/22/568848222.db2.gz VYYCSVQJWPJJAC-UHFFFAOYSA-N 0 0 426.875 5.570 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc3ccccc3n1)C[C@H](C)CC2 ZINC000006159068 568848241 /nfs/dbraw/zinc/84/82/41/568848241.db2.gz VXKGDTCHBXUYQU-CQSZACIVSA-N 0 0 440.590 5.329 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)nc2ccccc12 ZINC000006159181 568848271 /nfs/dbraw/zinc/84/82/71/568848271.db2.gz NHYMUVFMXXGTGO-UHFFFAOYSA-N 0 0 441.581 6.551 50 0 IKAARN O=C(CCC1CCCC1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862075 568848359 /nfs/dbraw/zinc/84/83/59/568848359.db2.gz YQVWUYXKIQTTFU-UHFFFAOYSA-N 0 0 429.567 5.006 50 0 IKAARN Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4cccs4)cc3C)s2)cc1 ZINC000015862031 568848374 /nfs/dbraw/zinc/84/83/74/568848374.db2.gz UONTWFLBJVEDAP-UHFFFAOYSA-N 0 0 443.575 5.028 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2cccc(N(C)C)c2)c1C ZINC000015862444 568848605 /nfs/dbraw/zinc/84/86/05/568848605.db2.gz XMLMVOMKDVGAPS-UHFFFAOYSA-N 0 0 447.579 5.025 50 0 IKAARN O=C(CNc1cccc2ccccc21)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000006161550 568848888 /nfs/dbraw/zinc/84/88/88/568848888.db2.gz NBRUHPWVDZHXAI-UHFFFAOYSA-N 0 0 442.371 6.245 50 0 IKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c(C)c1 ZINC000006161556 568848890 /nfs/dbraw/zinc/84/88/90/568848890.db2.gz QNMDPJRTTZKYJW-UHFFFAOYSA-N 0 0 430.371 5.164 50 0 IKAARN Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 ZINC000015863592 568849216 /nfs/dbraw/zinc/84/92/16/568849216.db2.gz TVPDPFUTAIRNEZ-UHFFFAOYSA-N 0 0 434.337 5.671 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)Cc3ccc(OC)c(OC)c3)c2)nc2ccccc21 ZINC000015863668 568849321 /nfs/dbraw/zinc/84/93/21/568849321.db2.gz KHIHQKYJFVJDDB-UHFFFAOYSA-N 0 0 443.547 5.040 50 0 IKAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccc(Br)cc3)ccc21 ZINC000015863833 568849481 /nfs/dbraw/zinc/84/94/81/568849481.db2.gz DAMZIUJWDXEPBF-UHFFFAOYSA-N 0 0 434.337 5.373 50 0 IKAARN CCC(=O)Nc1ccc2nc(SCc3cc(=O)c4cc(Cl)ccc4[nH]3)sc2c1 ZINC000015865301 568850127 /nfs/dbraw/zinc/85/01/27/568850127.db2.gz ZYJWDKYMTPLINJ-UHFFFAOYSA-N 0 0 429.954 5.432 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)c(Cl)c1 ZINC000015865447 568850491 /nfs/dbraw/zinc/85/04/91/568850491.db2.gz WBDVEIGMANZVMM-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)c(Cl)c1 ZINC000015865493 568850764 /nfs/dbraw/zinc/85/07/64/568850764.db2.gz OSFNNCKJNWIJLO-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1cc(Br)cc(C)c1Oc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000015866590 568850891 /nfs/dbraw/zinc/85/08/91/568850891.db2.gz MVHWFHIXVQRDDL-UHFFFAOYSA-N 0 0 445.316 7.215 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)c2c(C)c(CCc3ccccn3)n3ccccc23)cc1 ZINC000006173826 568850925 /nfs/dbraw/zinc/85/09/25/568850925.db2.gz DOTUVAAGKZVFKA-UHFFFAOYSA-N 0 0 443.572 5.392 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1nc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000015868188 568851011 /nfs/dbraw/zinc/85/10/11/568851011.db2.gz RGSDRYQGKNPHSO-UHFFFAOYSA-N 0 0 439.441 5.242 50 0 IKAARN O=C(Nc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2s1)c1ccccc1 ZINC000015870165 568851661 /nfs/dbraw/zinc/85/16/61/568851661.db2.gz ZULKSCCWPAGPOV-UHFFFAOYSA-N 0 0 443.937 5.003 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3CC)cc2)cc1 ZINC000015870574 568851984 /nfs/dbraw/zinc/85/19/84/568851984.db2.gz QFIWRZFZFJSZDE-UHFFFAOYSA-N 0 0 447.604 5.595 50 0 IKAARN Cn1c(CCc2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)nc2ccccc21 ZINC000015870522 568851996 /nfs/dbraw/zinc/85/19/96/568851996.db2.gz GIKXWCSTNHYPES-UHFFFAOYSA-N 0 0 447.604 5.457 50 0 IKAARN Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4cccc(Cl)c4C)cc3)nc2c1 ZINC000015870720 568852161 /nfs/dbraw/zinc/85/21/61/568852161.db2.gz DVGVFMYDFDDBTD-UHFFFAOYSA-N 0 0 439.968 5.419 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc2ccccc21 ZINC000015870748 568852191 /nfs/dbraw/zinc/85/21/91/568852191.db2.gz RQODYRMUYNVTCD-UHFFFAOYSA-N 0 0 447.604 5.649 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc2ccccc21 ZINC000015870734 568852283 /nfs/dbraw/zinc/85/22/83/568852283.db2.gz PTRJRGWKLKJKSX-UHFFFAOYSA-N 0 0 433.577 5.341 50 0 IKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Oc2ccccc2)cc1 ZINC000015880233 568854231 /nfs/dbraw/zinc/85/42/31/568854231.db2.gz LSSUSBBEUBLPIA-UHFFFAOYSA-N 0 0 441.556 5.746 50 0 IKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cc2ccccc2)cc1 ZINC000015880225 568854250 /nfs/dbraw/zinc/85/42/50/568854250.db2.gz UGJGYYLIIOFQLY-UHFFFAOYSA-N 0 0 439.584 5.545 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880721 568854257 /nfs/dbraw/zinc/85/42/57/568854257.db2.gz APYLEYSKJJZPNH-UHFFFAOYSA-N 0 0 435.336 5.584 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)c2O1 ZINC000015881157 568854828 /nfs/dbraw/zinc/85/48/28/568854828.db2.gz ZELMLQLMHNBPJZ-UHFFFAOYSA-N 0 0 442.342 6.538 50 0 IKAARN CCCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000015880638 568854840 /nfs/dbraw/zinc/85/48/40/568854840.db2.gz JWVMRUPGDCBRPP-UHFFFAOYSA-N 0 0 442.972 5.964 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3)c2O1 ZINC000015881158 568854908 /nfs/dbraw/zinc/85/49/08/568854908.db2.gz LZEIRVCFVFKTSL-UHFFFAOYSA-N 0 0 442.342 6.538 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(F)c(F)c4F)cc3)c2O1 ZINC000015881190 568855142 /nfs/dbraw/zinc/85/51/42/568855142.db2.gz IOTLSUWSVPOGQP-UHFFFAOYSA-N 0 0 427.422 5.649 50 0 IKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Br)cc2)o1 ZINC000015881542 568855338 /nfs/dbraw/zinc/85/53/38/568855338.db2.gz PSZSDFYODUHWGV-UHFFFAOYSA-N 0 0 439.313 5.216 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 ZINC000015881595 568855773 /nfs/dbraw/zinc/85/57/73/568855773.db2.gz MKXXHRRKIXPRFR-UHFFFAOYSA-N 0 0 438.915 5.191 50 0 IKAARN Cc1cccc2sc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)nc21 ZINC000015882404 568856544 /nfs/dbraw/zinc/85/65/44/568856544.db2.gz WRCURMIJRQNCDU-UHFFFAOYSA-N 0 0 429.545 5.359 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1OC ZINC000015882540 568857027 /nfs/dbraw/zinc/85/70/27/568857027.db2.gz FAWASOVSZGQRNI-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(Br)cc1 ZINC000015882481 568857077 /nfs/dbraw/zinc/85/70/77/568857077.db2.gz MLXJHHHCMXBFLI-UHFFFAOYSA-N 0 0 448.320 5.017 50 0 IKAARN CCCCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000015883373 568857652 /nfs/dbraw/zinc/85/76/52/568857652.db2.gz MNTXJXCPXPCUJA-UHFFFAOYSA-N 0 0 445.950 5.693 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 ZINC000006179702 568857950 /nfs/dbraw/zinc/85/79/50/568857950.db2.gz YZKAPSTTZRKQDR-UHFFFAOYSA-N 0 0 445.588 6.394 50 0 IKAARN CCOc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccc(C)cc1 ZINC000015906393 568858480 /nfs/dbraw/zinc/85/84/80/568858480.db2.gz JEJPHNKTVHWKPN-HSZRJFAPSA-N 0 0 426.438 6.060 50 0 IKAARN O=C(Oc1cc2sc(=O)oc2c(-c2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1 ZINC000015906659 568858504 /nfs/dbraw/zinc/85/85/04/568858504.db2.gz RXMVJDSCVSEOLG-UHFFFAOYSA-N 0 0 434.366 5.899 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(Nc3ccccc3)C2=C(N2CCOCC2)C1 ZINC000015906613 568858522 /nfs/dbraw/zinc/85/85/22/568858522.db2.gz YWNVRWAAUIRNFC-HKBQPEDESA-N 0 0 436.496 5.532 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)cc1 ZINC000015910681 568858527 /nfs/dbraw/zinc/85/85/27/568858527.db2.gz MVSWGLPUMBNIQC-UHFFFAOYSA-N 0 0 448.636 5.396 50 0 IKAARN COC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000015910704 568858535 /nfs/dbraw/zinc/85/85/35/568858535.db2.gz RZYDRRPECKKZDM-UHFFFAOYSA-N 0 0 431.875 5.699 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000015913231 568858624 /nfs/dbraw/zinc/85/86/24/568858624.db2.gz DDGHYMFHUFOBKA-INIZCTEOSA-N 0 0 444.240 5.279 50 0 IKAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccc(-c2ccccc2)cc1 ZINC000015978765 568861641 /nfs/dbraw/zinc/86/16/41/568861641.db2.gz PJJJVVAUHZCODT-UHFFFAOYSA-N 0 0 432.570 5.505 50 0 IKAARN O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NC1CCCCCCC1 ZINC000015982298 568861844 /nfs/dbraw/zinc/86/18/44/568861844.db2.gz AYKKIAADXGMJDH-UHFFFAOYSA-N 0 0 446.012 6.018 50 0 IKAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000016001738 568862319 /nfs/dbraw/zinc/86/23/19/568862319.db2.gz QNADLVUCHSQBRX-UHFFFAOYSA-N 0 0 445.924 5.187 50 0 IKAARN CCOc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1OCC ZINC000016035467 568867829 /nfs/dbraw/zinc/86/78/29/568867829.db2.gz AGINJMJLEQWPDV-KQWNVCNZSA-N 0 0 443.499 5.408 50 0 IKAARN Cc1ccc(S(=O)(=O)n2c3ccccc3nc2SCc2c(F)cccc2F)cc1 ZINC000006180997 568867855 /nfs/dbraw/zinc/86/78/55/568867855.db2.gz WGOAGHTZFYDYRH-UHFFFAOYSA-N 0 0 430.501 5.152 50 0 IKAARN Cc1cc2oc(=O)cc(CSc3nnc(NCc4ccccc4)s3)c2cc1C(C)C ZINC000016046985 568868898 /nfs/dbraw/zinc/86/88/98/568868898.db2.gz TUIBHWLRGZDIGQ-UHFFFAOYSA-N 0 0 437.590 5.981 50 0 IKAARN Cc1ccc(C(=O)n2nc(Nc3ccccc3Cl)cc2Nc2ccccc2Cl)cc1 ZINC000575443136 568868904 /nfs/dbraw/zinc/86/89/04/568868904.db2.gz PJZOAXOGJZDSMR-UHFFFAOYSA-N 0 0 437.330 6.674 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1 ZINC000016047631 568869213 /nfs/dbraw/zinc/86/92/13/568869213.db2.gz VPWZGLCNTBVJBV-UHFFFAOYSA-N 0 0 434.293 5.270 50 0 IKAARN COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2cccc(Cl)c2)n1 ZINC000575443684 568869616 /nfs/dbraw/zinc/86/96/16/568869616.db2.gz YSTRLJSEHRNIAE-UHFFFAOYSA-N 0 0 448.910 5.729 50 0 IKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1ccc(F)cc1F ZINC000012940492 568869662 /nfs/dbraw/zinc/86/96/62/568869662.db2.gz VUNVZUUCTBDCAJ-UHFFFAOYSA-N 0 0 434.518 5.403 50 0 IKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000012941087 568869753 /nfs/dbraw/zinc/86/97/53/568869753.db2.gz WIRDNHZLBQLYPH-UHFFFAOYSA-N 0 0 433.895 5.098 50 0 IKAARN Cc1ccc(/C=C2/N=C(SCc3ccc(Cl)cc3)N(c3cccc(C)c3C)C2=O)cc1 ZINC000016091163 568870345 /nfs/dbraw/zinc/87/03/45/568870345.db2.gz PWYBSMVSHVSEHQ-HZHRSRAPSA-N 0 0 447.003 6.942 50 0 IKAARN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000012944881 568870573 /nfs/dbraw/zinc/87/05/73/568870573.db2.gz FNDHWZVQRXEWMF-MRXNPFEDSA-N 0 0 439.462 5.028 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000012945281 568870695 /nfs/dbraw/zinc/87/06/95/568870695.db2.gz JJBDDBSBUJHEOX-UHFFFAOYSA-N 0 0 427.504 5.373 50 0 IKAARN O=C(CSc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)NC1CC1 ZINC000012950885 568872117 /nfs/dbraw/zinc/87/21/17/568872117.db2.gz YZJDUEZEGLORTM-UHFFFAOYSA-N 0 0 443.528 5.118 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000016263029 568875070 /nfs/dbraw/zinc/87/50/70/568875070.db2.gz YQCQOPJFPGSFFA-MRXNPFEDSA-N 0 0 425.863 5.205 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000016263028 568875169 /nfs/dbraw/zinc/87/51/69/568875169.db2.gz YQCQOPJFPGSFFA-INIZCTEOSA-N 0 0 425.863 5.205 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3)nc2c1 ZINC000016348437 568877630 /nfs/dbraw/zinc/87/76/30/568877630.db2.gz CMMYHKOJJZZJEA-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nc3c(n2C(=O)c2ccc(Cl)cn2)CCCC3)cc1 ZINC000000623429 568880140 /nfs/dbraw/zinc/88/01/40/568880140.db2.gz QWGDGZPNNGXSRI-OAHLLOKOSA-N 0 0 439.968 5.171 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000865905 568880320 /nfs/dbraw/zinc/88/03/20/568880320.db2.gz CGGJPQBOGMMGRQ-OPDFLTKYSA-N 0 0 446.926 5.661 50 0 IKAARN CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6CCCCO6)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 ZINC000035361962 568880513 /nfs/dbraw/zinc/88/05/13/568880513.db2.gz DNWMPSZEZKPTQK-PSEATDOESA-N 0 0 444.656 6.240 50 0 biogenic IKAARN CCCCCCN(CCCCCC)C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000035351707 568880538 /nfs/dbraw/zinc/88/05/38/568880538.db2.gz KGMVOWPULAGJCV-SLEBQGDGSA-N 0 0 445.651 7.201 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000006232710 568880662 /nfs/dbraw/zinc/88/06/62/568880662.db2.gz LNTSHRPDUYJBSW-RTXFEEFZSA-N 0 0 433.565 5.944 50 0 IKAARN O=S(=O)(Nc1cccc(C2SCCCS2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911583 568880707 /nfs/dbraw/zinc/88/07/07/568880707.db2.gz ZWMUUHZQGBQBIM-UHFFFAOYSA-N 0 0 437.505 5.514 50 0 IKAARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4)c(N)c32)cc1 ZINC000006246575 568880896 /nfs/dbraw/zinc/88/08/96/568880896.db2.gz PQHMTAPTCNZDKN-UHFFFAOYSA-N 0 0 435.552 6.773 50 0 IKAARN CCCC[C@@](CC)(CCCNC(=O)c1cc(C)oc1C)CNC(=O)c1cc(C)oc1C ZINC000006273893 568881536 /nfs/dbraw/zinc/88/15/36/568881536.db2.gz CMMKTPDMLWIPHM-VWLOTQADSA-N 0 0 430.589 5.633 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)n1c2ccccc2nc1SCc1ccccc1F ZINC000006296828 568882302 /nfs/dbraw/zinc/88/23/02/568882302.db2.gz DAHFKAHYZJFHLS-UHFFFAOYSA-N 0 0 432.929 5.358 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478439 568882699 /nfs/dbraw/zinc/88/26/99/568882699.db2.gz PMCCPSMLAQUESP-CYBMUJFWSA-N 0 0 434.849 5.157 50 0 IKAARN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575620138 568883022 /nfs/dbraw/zinc/88/30/22/568883022.db2.gz OECPNGDIIMXUGF-UHFFFAOYSA-N 0 0 432.524 5.710 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000009464409 568883509 /nfs/dbraw/zinc/88/35/09/568883509.db2.gz LZNTVNIDCCMADV-JTQLQIEISA-N 0 0 438.862 5.555 50 0 IKAARN O=C(Cn1cc(SCc2cccc3ccccc32)c2ccccc21)N1CCCCCC1 ZINC000009519540 568883616 /nfs/dbraw/zinc/88/36/16/568883616.db2.gz LOFAXGQILWLGJK-UHFFFAOYSA-N 0 0 428.601 6.489 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)N(C)Cc1ccccc1 ZINC000009864140 568884350 /nfs/dbraw/zinc/88/43/50/568884350.db2.gz LFAVKVBASDHEJO-QGZVFWFLSA-N 0 0 431.536 5.575 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000227180451 568885792 /nfs/dbraw/zinc/88/57/92/568885792.db2.gz RWYZGOSJNMNCMW-CUNXSJBXSA-N 0 0 444.531 5.653 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2cccs2)nn1C ZINC000090593285 568888958 /nfs/dbraw/zinc/88/89/58/568888958.db2.gz GAALMBRPALGIRN-UHFFFAOYSA-N 0 0 428.970 5.164 50 0 IKAARN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccc(Cl)cc1Cl ZINC000090594503 568889194 /nfs/dbraw/zinc/88/91/94/568889194.db2.gz MOTROQYIYFOWDU-KRWDZBQOSA-N 0 0 447.297 5.080 50 0 IKAARN Cc1ccc(Nc2ccn(-c3nc(-c4ccccc4)sc3-c3ccccc3)c(=O)n2)cc1 ZINC000001738766 568889439 /nfs/dbraw/zinc/88/94/39/568889439.db2.gz IVCJRBYVNRWSEY-UHFFFAOYSA-N 0 0 436.540 6.075 50 0 IKAARN COc1ccc(/C=C/C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)cc1OC ZINC000090607078 568889742 /nfs/dbraw/zinc/88/97/42/568889742.db2.gz LOHFCWFUFFRFOE-ZRDIBKRKSA-N 0 0 437.565 5.074 50 0 IKAARN COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000020352926 568889808 /nfs/dbraw/zinc/88/98/08/568889808.db2.gz FPVFEIBTNZKHAV-XIKRSCJXSA-N 0 0 433.592 5.727 50 0 biogenic IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607550 568889867 /nfs/dbraw/zinc/88/98/67/568889867.db2.gz VICAZAPRGJGENM-UHFFFAOYSA-N 0 0 440.465 5.302 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSc2ccccn2)CC1 ZINC000090608042 568890711 /nfs/dbraw/zinc/89/07/11/568890711.db2.gz QOHVBWVLDZJYIH-UHFFFAOYSA-N 0 0 427.957 5.343 50 0 IKAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2cc(Cl)cc(Cl)c2)C1=O ZINC000102981906 568891220 /nfs/dbraw/zinc/89/12/20/568891220.db2.gz DUGZXAIJUHNJKT-UYRXBGFRSA-N 0 0 439.298 5.642 50 0 IKAARN Cc1sc2[nH]c(CN[C@H](C)c3ccc(F)cc3F)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012977832 568891377 /nfs/dbraw/zinc/89/13/77/568891377.db2.gz CYZZBSSXTOCEKC-CYBMUJFWSA-N 0 0 425.504 5.397 50 0 IKAARN CC[C@@H](C)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1 ZINC000103083475 568891866 /nfs/dbraw/zinc/89/18/66/568891866.db2.gz JVJPQPSOCZAUMC-DXFLKOCDSA-N 0 0 434.561 5.245 50 0 IKAARN CC(=O)c1ccc(SCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(F)c1 ZINC000012980237 568891978 /nfs/dbraw/zinc/89/19/78/568891978.db2.gz DHJRWBMAUHBIRJ-UHFFFAOYSA-N 0 0 437.496 5.403 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000035514289 568892703 /nfs/dbraw/zinc/89/27/03/568892703.db2.gz CZTUPRUGTZMBPS-VWLOTQADSA-N 0 0 438.506 5.834 50 0 IKAARN Cc1c(CNC(=O)c2ccccc2Br)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090642930 568893914 /nfs/dbraw/zinc/89/39/14/568893914.db2.gz CWAYLLUCFUMMLH-UHFFFAOYSA-N 0 0 444.329 5.203 50 0 IKAARN COc1cc(C(=O)NCCc2cccs2)cc(Br)c1OCc1ccccc1 ZINC000017909335 568894296 /nfs/dbraw/zinc/89/42/96/568894296.db2.gz NPYCMRSHGQEZKK-UHFFFAOYSA-N 0 0 446.366 5.071 50 0 IKAARN O=C1CCCCC[C@@H]1Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000012988839 568895232 /nfs/dbraw/zinc/89/52/32/568895232.db2.gz XGXLKSWECMNTRH-IBGZPJMESA-N 0 0 431.945 5.146 50 0 IKAARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000033421087 568896102 /nfs/dbraw/zinc/89/61/02/568896102.db2.gz CBPKMHTUUJZCCF-DEDYPNTBSA-N 0 0 427.591 6.291 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)=NN1C(C)=O ZINC000032815384 568896143 /nfs/dbraw/zinc/89/61/43/568896143.db2.gz HPNAHHDNYJLMNP-SANMLTNESA-N 0 0 449.554 6.225 50 0 IKAARN COc1ccc(Br)cc1/C=C/C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000040134787 568896465 /nfs/dbraw/zinc/89/64/65/568896465.db2.gz HKCWYMDSWOLBSA-RBNVVWFDSA-N 0 0 437.337 5.114 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000016424018 568896849 /nfs/dbraw/zinc/89/68/49/568896849.db2.gz QOJBPNBPGIFSOU-UHFFFAOYSA-N 0 0 439.125 6.784 50 0 IKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000035671350 568897281 /nfs/dbraw/zinc/89/72/81/568897281.db2.gz NNVQQSHNAWDONZ-UHFFFAOYSA-N 0 0 426.498 5.185 50 0 IKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000035671469 568897356 /nfs/dbraw/zinc/89/73/56/568897356.db2.gz HZJZTJXAVMGOFQ-UHFFFAOYSA-N 0 0 442.953 5.700 50 0 IKAARN Cc1cc2sc(N(Cc3ccccc3)C(=O)C3CCN(C(=O)C4CC4)CC3)nc2c(C)c1 ZINC000013003690 568898680 /nfs/dbraw/zinc/89/86/80/568898680.db2.gz ZDPFZAGARGIHRU-UHFFFAOYSA-N 0 0 447.604 5.095 50 0 IKAARN CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 ZINC000013000612 568898699 /nfs/dbraw/zinc/89/86/99/568898699.db2.gz SUEQXHPAJPYJSS-ZDUSSCGKSA-N 0 0 426.929 5.399 50 0 IKAARN O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000096398731 568899061 /nfs/dbraw/zinc/89/90/61/568899061.db2.gz UUENVKHVYBAYBA-BXEQBKGESA-N 0 0 440.518 6.028 50 0 IKAARN O=C(c1ccncc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000096400844 568899103 /nfs/dbraw/zinc/89/91/03/568899103.db2.gz SEHDOBWHDBZZQU-IKZHNLPGSA-N 0 0 429.470 5.797 50 0 IKAARN COc1ccc(C)cc1CN(C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000013009252 568899763 /nfs/dbraw/zinc/89/97/63/568899763.db2.gz VBKQBYDLKGLKMR-UHFFFAOYSA-N 0 0 433.577 5.217 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1Cl ZINC000102995694 568900496 /nfs/dbraw/zinc/90/04/96/568900496.db2.gz BNRNRFCNAZPDAT-FOWTUZBSSA-N 0 0 443.717 6.287 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000103005046 568900502 /nfs/dbraw/zinc/90/05/02/568900502.db2.gz KVLMKHIEUWSTKG-LFVJCYFKSA-N 0 0 426.516 5.651 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(Cl)c3)C2=O)cc1 ZINC000103005023 568900527 /nfs/dbraw/zinc/90/05/27/568900527.db2.gz SMOQPJBRSYSMHX-PXLXIMEGSA-N 0 0 446.890 5.157 50 0 IKAARN Cc1cc(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3C)C2=O)n(-c2ccccc2)n1 ZINC000103004288 568900604 /nfs/dbraw/zinc/90/06/04/568900604.db2.gz XGGYSILLFKCLKS-JJIBRWJFSA-N 0 0 448.526 5.438 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1Cl ZINC000103104453 568900715 /nfs/dbraw/zinc/90/07/15/568900715.db2.gz AQGXWYOXKIROAR-SDXDJHTJSA-N 0 0 447.962 6.537 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3C)C2=O)cc1 ZINC000103005116 568900737 /nfs/dbraw/zinc/90/07/37/568900737.db2.gz YSLGUYGGYDKIKD-XQNSMLJCSA-N 0 0 440.499 5.120 50 0 IKAARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)c1ccc(C2CCCCC2)cc1 ZINC000013016388 568901563 /nfs/dbraw/zinc/90/15/63/568901563.db2.gz UTOVFBKMGPPYFR-UHFFFAOYSA-N 0 0 426.513 5.810 50 0 IKAARN Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c(Br)c1 ZINC000013016503 568901630 /nfs/dbraw/zinc/90/16/30/568901630.db2.gz VRZKLNAFWLDCBR-UHFFFAOYSA-N 0 0 425.311 5.077 50 0 IKAARN O=C(NC(=S)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccccc1 ZINC000001746116 568903278 /nfs/dbraw/zinc/90/32/78/568903278.db2.gz CENLDKGDWIBQFA-UHFFFAOYSA-N 0 0 449.626 6.030 50 0 IKAARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001768356 568905780 /nfs/dbraw/zinc/90/57/80/568905780.db2.gz KCHISNMEZWOYSU-UHFFFAOYSA-N 0 0 445.382 5.888 50 0 IKAARN CCCCOC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001770163 568905885 /nfs/dbraw/zinc/90/58/85/568905885.db2.gz VRPYKXFEYMGPCH-UHFFFAOYSA-N 0 0 447.281 5.070 50 0 IKAARN CC(C)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1cccc3ccccc31)c2=O ZINC000001770084 568905919 /nfs/dbraw/zinc/90/59/19/568905919.db2.gz VNWKVRNRFGFXIS-UHFFFAOYSA-N 0 0 426.390 6.193 50 0 IKAARN Cc1cccc(Oc2c(=O)c3ccc(OCc4ccccc4)cc3oc2C(F)(F)F)c1 ZINC000001770011 568905927 /nfs/dbraw/zinc/90/59/27/568905927.db2.gz PVFYLKCLEQDOHB-UHFFFAOYSA-N 0 0 426.390 6.492 50 0 IKAARN O=c1c(Oc2ccccc2Br)coc2cc(OCCc3ccccc3)ccc21 ZINC000001769144 568905930 /nfs/dbraw/zinc/90/59/30/568905930.db2.gz PRQWOOLLRVQJGM-UHFFFAOYSA-N 0 0 437.289 5.969 50 0 IKAARN CC[C@H](C)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC000001770323 568906162 /nfs/dbraw/zinc/90/61/62/568906162.db2.gz XAMFYUOXIXGUBS-GTNSWQLSSA-N 0 0 438.833 5.008 50 0 IKAARN CCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001770892 568906174 /nfs/dbraw/zinc/90/61/74/568906174.db2.gz UQMQYYLQWNOALW-UHFFFAOYSA-N 0 0 426.390 6.670 50 0 IKAARN CC[C@H](C)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC000001770326 568906180 /nfs/dbraw/zinc/90/61/80/568906180.db2.gz XAMFYUOXIXGUBS-APPDUMDISA-N 0 0 438.833 5.008 50 0 IKAARN Cc1cc(C)c(C(=O)Oc2ccc3c(c2)occ(Oc2ccccc2Cl)c3=O)c(C)c1 ZINC000001775143 568906247 /nfs/dbraw/zinc/90/62/47/568906247.db2.gz HEOZSLWVOZPUMD-UHFFFAOYSA-N 0 0 434.875 6.383 50 0 IKAARN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)cc1 ZINC000001772194 568906346 /nfs/dbraw/zinc/90/63/46/568906346.db2.gz NHIJPJNOHKPMOZ-UHFFFAOYSA-N 0 0 448.902 6.755 50 0 IKAARN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000001772195 568906361 /nfs/dbraw/zinc/90/63/61/568906361.db2.gz PCQFRLDGJFVIOS-UHFFFAOYSA-N 0 0 448.902 6.755 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccc(Cl)cc3)ccc2oc1-c1ccc(OC)cc1 ZINC000001776569 568906472 /nfs/dbraw/zinc/90/64/72/568906472.db2.gz CRBMMWMUTGTTEL-UHFFFAOYSA-N 0 0 436.891 6.518 50 0 IKAARN COc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(Sc3ccc(C)cc3)C2=O)cc1 ZINC000001776960 568906573 /nfs/dbraw/zinc/90/65/73/568906573.db2.gz WRBHNABHQHQXQE-UHFFFAOYSA-N 0 0 447.581 5.981 50 0 IKAARN Cc1cc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc(C)c1Cl ZINC000001775147 568906580 /nfs/dbraw/zinc/90/65/80/568906580.db2.gz YBTVJIYXUNOZSK-UHFFFAOYSA-N 0 0 438.838 6.214 50 0 IKAARN Cc1cc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc(C)c1Cl ZINC000001775154 568906588 /nfs/dbraw/zinc/90/65/88/568906588.db2.gz KQEHAEJFEMORBJ-UHFFFAOYSA-N 0 0 441.310 7.088 50 0 IKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(I)cc1 ZINC000001775412 568906596 /nfs/dbraw/zinc/90/65/96/568906596.db2.gz GDIWLBOIHZFTKQ-UHFFFAOYSA-N 0 0 432.261 5.068 50 0 IKAARN C[C@@H](Sc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)OCc1ccccc1Cl ZINC000001778552 568906670 /nfs/dbraw/zinc/90/66/70/568906670.db2.gz QIYPBDGZBPLTQB-CHWSQXEVSA-N 0 0 432.998 5.694 50 0 IKAARN COc1ccc(OCCCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001778326 568906752 /nfs/dbraw/zinc/90/67/52/568906752.db2.gz YQGYNQUQSLDVRR-UHFFFAOYSA-N 0 0 432.545 6.078 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OCc3ccccc3)cc2oc1C(F)(F)F ZINC000001780044 568906778 /nfs/dbraw/zinc/90/67/78/568906778.db2.gz YCIGCYKIPSBURT-UHFFFAOYSA-N 0 0 426.390 6.066 50 0 biogenic IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCCOc1ccc(F)cc1 ZINC000001780613 568907154 /nfs/dbraw/zinc/90/71/54/568907154.db2.gz OUBMWQGOWUCEMT-UHFFFAOYSA-N 0 0 436.914 6.105 50 0 IKAARN CCCCCCC(=O)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001787084 568907559 /nfs/dbraw/zinc/90/75/59/568907559.db2.gz RXHXVTAWKDUPAB-CQSZACIVSA-N 0 0 431.585 5.611 50 0 IKAARN CCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000001787019 568907688 /nfs/dbraw/zinc/90/76/88/568907688.db2.gz BPVNZUGEYRLHQH-CYBMUJFWSA-N 0 0 431.216 5.019 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000001789817 568907815 /nfs/dbraw/zinc/90/78/15/568907815.db2.gz DGMIALXAIIGBLP-RYUDHWBXSA-N 0 0 448.013 5.597 50 0 IKAARN O=c1c2ccccc2oc(-c2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001791343 568907948 /nfs/dbraw/zinc/90/79/48/568907948.db2.gz ZASYSGHYUSOUHW-UHFFFAOYSA-N 0 0 431.702 6.999 50 0 IKAARN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc(C)c1-c1ccccc1 ZINC000001791948 568907997 /nfs/dbraw/zinc/90/79/97/568907997.db2.gz QRNGJPGQDDQPOT-UHFFFAOYSA-N 0 0 441.961 6.631 50 0 IKAARN COc1cc([C@H](CC(=O)c2ccc(Cl)cc2)Sc2ccccc2)cc(OC)c1OC ZINC000001798818 568908342 /nfs/dbraw/zinc/90/83/42/568908342.db2.gz KUTRVUAVMKNPRG-QHCPKHFHSA-N 0 0 442.964 6.472 50 0 IKAARN Cc1oc2cc(Br)c(OCc3ccccc3Cl)cc2c1C(=O)OC(C)C ZINC000001799053 568908347 /nfs/dbraw/zinc/90/83/47/568908347.db2.gz LLSOJTBGXHPHTR-UHFFFAOYSA-N 0 0 437.717 6.301 50 0 IKAARN COc1ccc([C@@H](Sc2ccc(Cl)cc2)[C@@H]2CCc3ccccc3C2=O)cc1OC ZINC000001798844 568908387 /nfs/dbraw/zinc/90/83/87/568908387.db2.gz OSDNTUDUPKOALG-PXDATVDWSA-N 0 0 438.976 6.636 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 ZINC000001803140 568908441 /nfs/dbraw/zinc/90/84/41/568908441.db2.gz BZSKDUYEFSFLIX-KPKJPENVSA-N 0 0 441.394 6.272 50 0 IKAARN COc1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1OCc1ccc(Cl)cc1 ZINC000001799913 568908459 /nfs/dbraw/zinc/90/84/59/568908459.db2.gz LMVVQIXVPDOENU-UHFFFAOYSA-N 0 0 443.930 6.432 50 0 IKAARN Cc1cccc(-n2c3nnc(SCc4ccccc4)n3c3sc4c(c3c2=O)CCC4)c1 ZINC000001803169 568908572 /nfs/dbraw/zinc/90/85/72/568908572.db2.gz NDCITTCHGWLARU-UHFFFAOYSA-N 0 0 444.585 5.184 50 0 IKAARN Cc1cc(OC(=O)COc2ccc(Br)cc2Br)cc(C)c1Cl ZINC000001807938 568908935 /nfs/dbraw/zinc/90/89/35/568908935.db2.gz JZTHQCHJYKLTNQ-UHFFFAOYSA-N 0 0 448.538 5.466 50 0 IKAARN CCCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001808390 568908955 /nfs/dbraw/zinc/90/89/55/568908955.db2.gz WISPATAWFVYPAO-UHFFFAOYSA-N 0 0 444.644 6.413 50 0 biogenic IKAARN O=C(Nc1cccc(-c2csc(Nc3cc(Cl)ccc3Cl)n2)c1)c1ccccc1 ZINC000035730475 568909373 /nfs/dbraw/zinc/90/93/73/568909373.db2.gz SOBIRQDXFUBFEV-UHFFFAOYSA-N 0 0 440.355 7.113 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577093 568909577 /nfs/dbraw/zinc/90/95/77/568909577.db2.gz KPXCDYNSCDFYFE-AHWVRZQESA-N 0 0 445.349 7.389 50 0 IKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCC1)O2 ZINC000025576627 568909647 /nfs/dbraw/zinc/90/96/47/568909647.db2.gz IBGHFIKHBLJQFH-QFIPXVFZSA-N 0 0 433.349 6.416 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccs2)cc1 ZINC000025576560 568909663 /nfs/dbraw/zinc/90/96/63/568909663.db2.gz ZJYRRBQMBRDXAG-WIYYLYMNSA-N 0 0 431.344 6.306 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577110 568909692 /nfs/dbraw/zinc/90/96/92/568909692.db2.gz KPXCDYNSCDFYFE-AOYPEHQESA-N 0 0 445.349 7.389 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577205 568909721 /nfs/dbraw/zinc/90/97/21/568909721.db2.gz OOKRFUKWXZYURM-RSXGOPAZSA-N 0 0 428.894 6.875 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000025577529 568909879 /nfs/dbraw/zinc/90/98/79/568909879.db2.gz WHRLBIAQBSSTIG-RSXGOPAZSA-N 0 0 445.349 7.389 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1ccccc1)O2 ZINC000025577272 568909898 /nfs/dbraw/zinc/90/98/98/568909898.db2.gz BLUZJURWLHNTCL-RSXGOPAZSA-N 0 0 445.349 7.389 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCC2 ZINC000001811818 568915424 /nfs/dbraw/zinc/91/54/24/568915424.db2.gz AIFUSQHFTULPEG-UHFFFAOYSA-N 0 0 442.540 5.881 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000001818012 568915623 /nfs/dbraw/zinc/91/56/23/568915623.db2.gz VEXZAWWBYPNTIG-UHFFFAOYSA-N 0 0 446.597 5.609 50 0 IKAARN Cc1ccc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000001818009 568915636 /nfs/dbraw/zinc/91/56/36/568915636.db2.gz XBVXPKGDLMBYQI-UHFFFAOYSA-N 0 0 448.950 5.429 50 0 IKAARN Cc1cc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)ccc1Cl ZINC000001828791 568915852 /nfs/dbraw/zinc/91/58/52/568915852.db2.gz KNDMTNPSXRSMIH-UHFFFAOYSA-N 0 0 425.315 5.758 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001828480 568915883 /nfs/dbraw/zinc/91/58/83/568915883.db2.gz JTJMTFURXCGSPY-GOSISDBHSA-N 0 0 428.623 5.300 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 ZINC000001831027 568915958 /nfs/dbraw/zinc/91/59/58/568915958.db2.gz ZQSCQAVFXFLCHM-UHFFFAOYSA-N 0 0 449.605 5.260 50 0 IKAARN Cc1ccccc1-n1c(=O)c2c(nc1SCCC(C)C)-c1ccccc1CC21CCCC1 ZINC000001832427 568916036 /nfs/dbraw/zinc/91/60/36/568916036.db2.gz NBDJCMSPPMZPRT-UHFFFAOYSA-N 0 0 444.644 6.714 50 0 biogenic IKAARN Cc1ccc(Cl)c(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001831963 568916075 /nfs/dbraw/zinc/91/60/75/568916075.db2.gz HZFLSBWFQYWLMS-UHFFFAOYSA-N 0 0 425.315 5.758 50 0 IKAARN Cc1ccc([C@H](CCNC(=O)C[C@@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 ZINC000001832699 568916095 /nfs/dbraw/zinc/91/60/95/568916095.db2.gz FWXYDKSGTWJPJW-RRPNLBNLSA-N 0 0 447.619 6.843 50 0 biogenic IKAARN Cc1ccccc1OCc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000001835904 568916150 /nfs/dbraw/zinc/91/61/50/568916150.db2.gz CGHMCOGYWRAKKO-UHFFFAOYSA-N 0 0 432.483 6.092 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3SCCc3ccccc3)c2c2c1CCCC2 ZINC000001834731 568916164 /nfs/dbraw/zinc/91/61/64/568916164.db2.gz ZGHPARXHUMLPNA-UHFFFAOYSA-N 0 0 433.646 6.652 50 0 IKAARN COc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000001833675 568916260 /nfs/dbraw/zinc/91/62/60/568916260.db2.gz JQQKIVJLJJPRPV-SANMLTNESA-N 0 0 440.543 6.650 50 0 IKAARN O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000001838254 568916309 /nfs/dbraw/zinc/91/63/09/568916309.db2.gz VKLYMVRCTASPDV-UHFFFAOYSA-N 0 0 436.891 5.308 50 0 IKAARN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001837890 568916332 /nfs/dbraw/zinc/91/63/32/568916332.db2.gz XYGLEXVQVQXVEM-UHFFFAOYSA-N 0 0 433.360 6.504 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccccc2)c1C ZINC000026770837 568916459 /nfs/dbraw/zinc/91/64/59/568916459.db2.gz OVLBQOXMHYBELL-QHCPKHFHSA-N 0 0 442.588 6.226 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc2ccccc21 ZINC000001858240 568916841 /nfs/dbraw/zinc/91/68/41/568916841.db2.gz SLCAFNIDRQXWGR-UHFFFAOYSA-N 0 0 443.494 5.586 50 0 IKAARN COc1ccccc1[C@H](Nc1ccccn1)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000001890826 568917685 /nfs/dbraw/zinc/91/76/85/568917685.db2.gz QROROYNIVPKIJI-DEOSSOPVSA-N 0 0 443.572 6.222 50 0 IKAARN CCOC(=O)c1c2cc(OCc3cccc(Cl)c3)ccc2oc1-c1ccc(OC)cc1 ZINC000001895855 568917714 /nfs/dbraw/zinc/91/77/14/568917714.db2.gz WIHIVCBGIQKMDG-UHFFFAOYSA-N 0 0 436.891 6.518 50 0 IKAARN FC(F)(F)c1cccc(Nc2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1 ZINC000001895241 568917860 /nfs/dbraw/zinc/91/78/60/568917860.db2.gz NYYLEJMHFLMUDR-UHFFFAOYSA-N 0 0 448.370 7.155 50 0 IKAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000035744789 568918048 /nfs/dbraw/zinc/91/80/48/568918048.db2.gz XRSZUWLEOVXQHU-UHFFFAOYSA-N 0 0 448.954 5.255 50 0 IKAARN Cc1cc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc(C)c1Cl ZINC000001899486 568918072 /nfs/dbraw/zinc/91/80/72/568918072.db2.gz OHXQAQQTDPTBMU-UHFFFAOYSA-N 0 0 439.342 6.066 50 0 IKAARN Clc1ccc(Sc2nc(-c3ccccc3)oc2Sc2ccc(Cl)cc2)cc1 ZINC000001902957 568918648 /nfs/dbraw/zinc/91/86/48/568918648.db2.gz XUZCNQDDCIBMSZ-UHFFFAOYSA-N 0 0 430.381 7.951 50 0 IKAARN CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000001903536 568919310 /nfs/dbraw/zinc/91/93/10/568919310.db2.gz HCCNFPHERPCTCW-HHHXNRCGSA-N 0 0 435.995 6.698 50 0 biogenic IKAARN O[C@H](CN(c1ccccc1)c1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000001907573 568919494 /nfs/dbraw/zinc/91/94/94/568919494.db2.gz ZIUGZEJPSYQJQK-NDEPHWFRSA-N 0 0 445.566 6.416 50 0 IKAARN O=C(c1cccs1)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000001907477 568919502 /nfs/dbraw/zinc/91/95/02/568919502.db2.gz HRTWQAKIKUJUNI-UHFFFAOYSA-N 0 0 438.936 5.125 50 0 IKAARN C[C@@H](Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)C(=O)OCc1ccccc1 ZINC000001904885 568919503 /nfs/dbraw/zinc/91/95/03/568919503.db2.gz HWOUMCYAHJFRHM-MRXNPFEDSA-N 0 0 434.875 5.624 50 0 IKAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc(Cl)c2)cc1 ZINC000006472303 568919864 /nfs/dbraw/zinc/91/98/64/568919864.db2.gz KYZNHYVAHJUNOF-NRFANRHFSA-N 0 0 438.877 5.682 50 0 IKAARN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)CCc2ccccc2)cc1 ZINC000006472293 568919867 /nfs/dbraw/zinc/91/98/67/568919867.db2.gz HOCXWOYOGUFMPL-HSZRJFAPSA-N 0 0 432.486 5.348 50 0 IKAARN Cc1ccccc1CSc1nnc(-c2sc3ncccc3c2N)n1Cc1ccco1 ZINC000064370109 568920029 /nfs/dbraw/zinc/92/00/29/568920029.db2.gz QQDFZBGNUZQEAO-UHFFFAOYSA-N 0 0 433.562 5.379 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000089365482 568921210 /nfs/dbraw/zinc/92/12/10/568921210.db2.gz XKSHWNZZFZOVSD-UHFFFAOYSA-N 0 0 442.540 5.431 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000001911818 568922325 /nfs/dbraw/zinc/92/23/25/568922325.db2.gz NEWRRTOQLSJOAR-LFYBBSHMSA-N 0 0 429.900 6.036 50 0 IKAARN O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001917859 568922687 /nfs/dbraw/zinc/92/26/87/568922687.db2.gz HJBAYSHUKPRVGS-UHFFFAOYSA-N 0 0 447.490 5.412 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1sc3nc(C)cc(C)c3c1N)C[C@@H](C)CC2 ZINC000001917572 568922865 /nfs/dbraw/zinc/92/28/65/568922865.db2.gz XVYCRZSYTRKLPC-JTQLQIEISA-N 0 0 443.594 5.111 50 0 IKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000035793682 568923021 /nfs/dbraw/zinc/92/30/21/568923021.db2.gz BDVUBKRMHDCBRG-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2ccccc2)CC1 ZINC000035794794 568923023 /nfs/dbraw/zinc/92/30/23/568923023.db2.gz XEZLEARHRPVXQU-QHCPKHFHSA-N 0 0 436.644 5.193 50 0 IKAARN CCCCCCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc(C)cc2)cc1 ZINC000035793590 568923053 /nfs/dbraw/zinc/92/30/53/568923053.db2.gz AHBRGAVFTDHQPC-UHFFFAOYSA-N 0 0 434.584 6.186 50 0 IKAARN C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001931525 568923444 /nfs/dbraw/zinc/92/34/44/568923444.db2.gz ICCQLLSDRXHQJF-LBPRGKRZSA-N 0 0 427.850 5.840 50 0 IKAARN CCOc1ccccc1Oc1c(=O)c2ccc(OC(=O)C(C)C)cc2oc1C(F)(F)F ZINC000001936269 568923506 /nfs/dbraw/zinc/92/35/06/568923506.db2.gz VWOLILDEMLWTTD-UHFFFAOYSA-N 0 0 436.382 5.564 50 0 IKAARN Cc1ccc2oc(-c3ccccc3Cl)c(OCC(=O)NCc3ccccc3)c(=O)c2c1 ZINC000001942006 568923701 /nfs/dbraw/zinc/92/37/01/568923701.db2.gz FHSPEYWBEGZRMQ-UHFFFAOYSA-N 0 0 433.891 5.117 50 0 IKAARN O=c1c(Oc2ccc(-c3ccccc3)cc2)coc2cc(OCc3ccccc3F)ccc21 ZINC000001940941 568923712 /nfs/dbraw/zinc/92/37/12/568923712.db2.gz XSJZWJOWKRCFHG-UHFFFAOYSA-N 0 0 438.454 6.970 50 0 IKAARN COc1ccc(Br)cc1/C=C1/N=C(c2cccc(Cl)c2Cl)OC1=O ZINC000001950413 568923841 /nfs/dbraw/zinc/92/38/41/568923841.db2.gz JGMSMXKCCVSYEP-MDWZMJQESA-N 0 0 427.081 5.109 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856810 568924661 /nfs/dbraw/zinc/92/46/61/568924661.db2.gz JZJXLQRTVTVFDE-OZXSUGGESA-N 0 0 439.596 5.431 50 0 biogenic IKAARN COc1ccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccc(Br)cc2)cc1 ZINC000089438718 568924824 /nfs/dbraw/zinc/92/48/24/568924824.db2.gz ILNGHAWAIKWMRM-IBGZPJMESA-N 0 0 425.282 5.042 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4cc(OC)c(OC)c(OC)c4)ccc32)cc1 ZINC000002126727 568925023 /nfs/dbraw/zinc/92/50/23/568925023.db2.gz SWWXNAIQGWZDJD-UHFFFAOYSA-N 0 0 448.471 5.073 50 0 biogenic IKAARN COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@@H](C(Cl)(Cl)Cl)O2)c(OC)c1 ZINC000002066514 568925047 /nfs/dbraw/zinc/92/50/47/568925047.db2.gz IFKZVLAQFBAJFZ-IBGZPJMESA-N 0 0 445.726 5.661 50 0 biogenic IKAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCc2nc3ccccc3s2)cc1 ZINC000089442184 568925108 /nfs/dbraw/zinc/92/51/08/568925108.db2.gz JAFSVQLEKVPPAG-UHFFFAOYSA-N 0 0 446.528 5.233 50 0 IKAARN CCCCCc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000016601960 568925236 /nfs/dbraw/zinc/92/52/36/568925236.db2.gz BBZKIWRPLGDOJN-HSZRJFAPSA-N 0 0 433.552 5.845 50 0 IKAARN O=C(Nc1c(Cl)cccc1Cl)N1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000016602259 568925249 /nfs/dbraw/zinc/92/52/49/568925249.db2.gz GUHGGYHYBYWBQM-MRXNPFEDSA-N 0 0 435.286 5.942 50 0 IKAARN Cc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4c(C(C)C)cccc4C(C)C)C3)n2)c1 ZINC000016602068 568925253 /nfs/dbraw/zinc/92/52/53/568925253.db2.gz ZTIWDEZRTOEFIX-OAQYLSRUSA-N 0 0 446.595 6.703 50 0 IKAARN COc1ccc(N2N=C(C(C)=O)S[C@@]23c2ccccc2C(C)=NN3c2ccccc2)cc1 ZINC000016607918 568925320 /nfs/dbraw/zinc/92/53/20/568925320.db2.gz UUIYECPGXONYIZ-RUZDIDTESA-N 0 0 442.544 5.206 50 0 IKAARN COc1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000089453743 568925442 /nfs/dbraw/zinc/92/54/42/568925442.db2.gz DUAQLHJXTABJAQ-UHFFFAOYSA-N 0 0 426.350 5.572 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000003881623 568925872 /nfs/dbraw/zinc/92/58/72/568925872.db2.gz JVRUDYNTKOCRNP-ARZCWHKOSA-N 0 0 436.592 6.107 50 0 biogenic IKAARN S=c1c2c3c(oc2nc(CN=Nc2ccc(Cl)cc2)n1C1CCCCC1)CCC3 ZINC000252611058 568926137 /nfs/dbraw/zinc/92/61/37/568926137.db2.gz IGRRRFIKRNAFHF-UHFFFAOYSA-N 0 0 426.973 6.452 50 0 IKAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000035806669 568926152 /nfs/dbraw/zinc/92/61/52/568926152.db2.gz SDZAFOSKGLYGEJ-UHFFFAOYSA-N 0 0 430.430 5.090 50 0 IKAARN COc1ccccc1[C@@H](CC(=O)N[C@H]1CCOC(C)(C)C1)c1ccc(OC(C)C)cc1 ZINC000004038667 568926178 /nfs/dbraw/zinc/92/61/78/568926178.db2.gz BWVVFDXHZUGULT-REWPJTCUSA-N 0 0 425.569 5.078 50 0 biogenic IKAARN COc1ccccc1[C@H](CC(=O)N[C@H]1CCOC(C)(C)C1)c1ccc(OC(C)C)cc1 ZINC000004038661 568926205 /nfs/dbraw/zinc/92/62/05/568926205.db2.gz BWVVFDXHZUGULT-NZQKXSOJSA-N 0 0 425.569 5.078 50 0 biogenic IKAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2cc(C)ccc12 ZINC000016627606 568926746 /nfs/dbraw/zinc/92/67/46/568926746.db2.gz CCHMGOGYSKWUBG-UHFFFAOYSA-N 0 0 433.335 5.259 50 0 IKAARN C[C@H]1CN(c2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cc2)C[C@H](C)O1 ZINC000064415848 568927762 /nfs/dbraw/zinc/92/77/62/568927762.db2.gz PSVNWGQGOJNVSA-UWVGGRQHSA-N 0 0 449.165 5.561 50 0 IKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Br)cc1F ZINC000064438983 568928228 /nfs/dbraw/zinc/92/82/28/568928228.db2.gz TZCYUDCBEVXMMD-UHFFFAOYSA-N 0 0 432.293 5.189 50 0 IKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc(Br)c(C)c3)nc2cc1C ZINC000064439006 568928294 /nfs/dbraw/zinc/92/82/94/568928294.db2.gz NBMIAMLUZFGAFU-UHFFFAOYSA-N 0 0 428.330 5.357 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1 ZINC000064452313 568929252 /nfs/dbraw/zinc/92/92/52/568929252.db2.gz NCHQBRKQUSFQRM-INIZCTEOSA-N 0 0 440.906 5.225 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)cc1 ZINC000064452355 568929302 /nfs/dbraw/zinc/92/93/02/568929302.db2.gz LOPOGDXENIVGDK-GOSISDBHSA-N 0 0 436.943 5.394 50 0 IKAARN COc1ccc(-c2ccc(CNC(=O)Nc3ccccc3OC)c3cnccc23)cc1C ZINC000035844646 568929304 /nfs/dbraw/zinc/92/93/04/568929304.db2.gz UJOUJJMCZZOSND-UHFFFAOYSA-N 0 0 427.504 5.549 50 0 IKAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c2ccc(C)cc2)o1 ZINC000016650223 568929319 /nfs/dbraw/zinc/92/93/19/568929319.db2.gz UXAACCQXJIFWGW-UHFFFAOYSA-N 0 0 432.564 5.224 50 0 IKAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 ZINC000064459792 568929329 /nfs/dbraw/zinc/92/93/29/568929329.db2.gz LHQWKJMSLXLPFD-LJQANCHMSA-N 0 0 430.552 5.024 50 0 IKAARN CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 ZINC000064459794 568929378 /nfs/dbraw/zinc/92/93/78/568929378.db2.gz LHQWKJMSLXLPFD-IBGZPJMESA-N 0 0 430.552 5.024 50 0 IKAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000064452533 568929491 /nfs/dbraw/zinc/92/94/91/568929491.db2.gz MQDDSCLHPAJWNM-OAQYLSRUSA-N 0 0 430.552 5.556 50 0 IKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1Br ZINC000064459724 568929502 /nfs/dbraw/zinc/92/95/02/568929502.db2.gz OEQRQSOLBNAEJC-GFCCVEGCSA-N 0 0 445.386 5.251 50 0 IKAARN CCCCCCc1ccc(C(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)CC(C)C)cc1 ZINC000016653849 568929639 /nfs/dbraw/zinc/92/96/39/568929639.db2.gz LESAJQJIIYPIEZ-UHFFFAOYSA-N 0 0 445.625 5.446 50 0 IKAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)CC(C)(C)C ZINC000016653656 568929714 /nfs/dbraw/zinc/92/97/14/568929714.db2.gz DIJJRRMQGZWMRF-KRWDZBQOSA-N 0 0 435.561 5.157 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000064472660 568929759 /nfs/dbraw/zinc/92/97/59/568929759.db2.gz GNEOIRWEAIECJF-UHFFFAOYSA-N 0 0 434.492 5.774 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472672 568929889 /nfs/dbraw/zinc/92/98/89/568929889.db2.gz KCSNWIFOKFZBAD-UHFFFAOYSA-N 0 0 426.900 6.259 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1 ZINC000064472735 568929908 /nfs/dbraw/zinc/92/99/08/568929908.db2.gz UZCLXIRTKSUMRA-UHFFFAOYSA-N 0 0 438.936 6.129 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472635 568929922 /nfs/dbraw/zinc/92/99/22/568929922.db2.gz VTFNMYSMAMHXQW-UHFFFAOYSA-N 0 0 430.529 5.943 50 0 IKAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)Nc4ccccc4)CC2)n1)CC[C@H](C)C3 ZINC000035867498 568929931 /nfs/dbraw/zinc/92/99/31/568929931.db2.gz DKZFYTNWIWANSR-KRWDZBQOSA-N 0 0 449.624 5.123 50 0 IKAARN Cc1cc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)ccc1Br ZINC000064472005 568930080 /nfs/dbraw/zinc/93/00/80/568930080.db2.gz XINABOORNSOBHU-UHFFFAOYSA-N 0 0 444.760 5.939 50 0 IKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(C)c(F)c3)c2cc1OC ZINC000064474102 568930236 /nfs/dbraw/zinc/93/02/36/568930236.db2.gz ODRIPXVDDPCINK-UHFFFAOYSA-N 0 0 437.515 5.315 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000019703247 568930627 /nfs/dbraw/zinc/93/06/27/568930627.db2.gz ZMUNWOYASSHYBX-VXKWHMMOSA-N 0 0 425.370 5.139 50 0 biogenic IKAARN O=C(Oc1ccc(-c2ccc(OC(=O)c3ccccc3F)cc2)cc1)c1ccccc1F ZINC000002023233 568930753 /nfs/dbraw/zinc/93/07/53/568930753.db2.gz JUQVHBOHLQXLKD-UHFFFAOYSA-N 0 0 430.406 6.070 50 0 IKAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)Nc4ccccc4F)CC3)n2)c1 ZINC000035890721 568930917 /nfs/dbraw/zinc/93/09/17/568930917.db2.gz AESHJQXOGZLCQK-UHFFFAOYSA-N 0 0 447.558 5.377 50 0 IKAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)Nc2c(C)cccc2C)CC1 ZINC000035890635 568930970 /nfs/dbraw/zinc/93/09/70/568930970.db2.gz PQNPBPCSAVPJCL-UHFFFAOYSA-N 0 0 443.595 5.294 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@H]1CCCO1 ZINC000006563306 568931423 /nfs/dbraw/zinc/93/14/23/568931423.db2.gz SMKRENWPCYOTMU-HXUWFJFHSA-N 0 0 425.598 5.049 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)Nc2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000035945165 568932506 /nfs/dbraw/zinc/93/25/06/568932506.db2.gz OQGJZLWJPOHZRT-SFHVURJKSA-N 0 0 442.579 5.565 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(-c2cc(Oc3ccccc3OC)ncn2)cc1 ZINC000064568550 568933652 /nfs/dbraw/zinc/93/36/52/568933652.db2.gz LHOFIQGHXZSADS-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc2c(Nc3cccc(Cl)c3C)cc(C(=O)N3CCSCC3)nc12 ZINC000064568500 568933720 /nfs/dbraw/zinc/93/37/20/568933720.db2.gz IDTXVTCLKLBBQP-UHFFFAOYSA-N 0 0 427.957 5.138 50 0 IKAARN CCOC(=O)c1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc32)c1 ZINC000064568432 568933766 /nfs/dbraw/zinc/93/37/66/568933766.db2.gz XNBRFLDZBSBNLJ-UHFFFAOYSA-N 0 0 431.536 5.336 50 0 IKAARN COc1cccc(Oc2cc(-c3cccc(C(=O)NCc4cccc(C)c4)c3)ncn2)c1 ZINC000064578489 568933869 /nfs/dbraw/zinc/93/38/69/568933869.db2.gz FTNVRCVNKQFUQD-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)N(C)Cc4ccccc4)cc3)ncn2)c1 ZINC000064578315 568934006 /nfs/dbraw/zinc/93/40/06/568934006.db2.gz YXSHMKMRXIDIKZ-UHFFFAOYSA-N 0 0 425.488 5.217 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4cccc(Cl)c4)c3)ncn2)cc1 ZINC000064578365 568934010 /nfs/dbraw/zinc/93/40/10/568934010.db2.gz WNFJTSCHXFAPBT-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cc(Oc4ccc(OC)cc4)ncn3)c2)cc1 ZINC000064578388 568934026 /nfs/dbraw/zinc/93/40/26/568934026.db2.gz KUJXCSADMJTHES-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c(OC)c1 ZINC000064578743 568934047 /nfs/dbraw/zinc/93/40/47/568934047.db2.gz RXHIKOKHPFWMKN-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1Cl ZINC000064578741 568934124 /nfs/dbraw/zinc/93/41/24/568934124.db2.gz XMNAADVGVVJFEJ-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccccc1NC(=O)c1cccc(-c2cc(Oc3ccccc3OC)ncn2)c1 ZINC000064578452 568934197 /nfs/dbraw/zinc/93/41/97/568934197.db2.gz SMHXNXAXTVQNQR-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc1OC ZINC000006591653 568934606 /nfs/dbraw/zinc/93/46/06/568934606.db2.gz GAZAZNIWRNDPRY-YCRPNKLZSA-N 0 0 428.598 6.125 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000035978377 568936326 /nfs/dbraw/zinc/93/63/26/568936326.db2.gz POWFMUCKOWHFSO-UHFFFAOYSA-N 0 0 440.494 5.193 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)NC(C)(C)C ZINC000035978638 568936352 /nfs/dbraw/zinc/93/63/52/568936352.db2.gz GIWHTBJVBPTAFR-UHFFFAOYSA-N 0 0 438.547 5.739 50 0 IKAARN CCOc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1 ZINC000006601768 568936370 /nfs/dbraw/zinc/93/63/70/568936370.db2.gz JALKQRRLGKTKIG-SMIHKQSGSA-N 0 0 425.355 6.617 50 0 IKAARN C[C@@H]1CCc2sc3ncnc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3c2C1 ZINC000054290453 568937004 /nfs/dbraw/zinc/93/70/04/568937004.db2.gz MCVCOILFWLIGNN-CQSZACIVSA-N 0 0 447.435 5.445 50 0 IKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000002031147 568937022 /nfs/dbraw/zinc/93/70/22/568937022.db2.gz BZTCVFHEQOMZCU-UHFFFAOYSA-N 0 0 434.520 6.447 50 0 IKAARN CCCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000002030645 568937026 /nfs/dbraw/zinc/93/70/26/568937026.db2.gz PPOZJDHLKUGABS-NSIFAMOJSA-N 0 0 437.539 5.436 50 0 IKAARN CCOc1ccccc1Oc1c(C)oc2c(ccc3c2CN(Cc2ccccn2)CO3)c1=O ZINC000054313485 568938750 /nfs/dbraw/zinc/93/87/50/568938750.db2.gz JBVWGVNEDORFQS-UHFFFAOYSA-N 0 0 444.487 5.040 50 0 IKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)nc2)c1 ZINC000064605814 568939677 /nfs/dbraw/zinc/93/96/77/568939677.db2.gz WCKJKLARGBYLFT-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)nc2)c1 ZINC000064605804 568939680 /nfs/dbraw/zinc/93/96/80/568939680.db2.gz FYRUNESRDCZEME-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc(OC)c1 ZINC000064605883 568939783 /nfs/dbraw/zinc/93/97/83/568939783.db2.gz ZSFWOJWLKOQSFD-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc(OC)c1 ZINC000064606049 568939805 /nfs/dbraw/zinc/93/98/05/568939805.db2.gz CYTZSMDWYGZHGU-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc(OC)c1 ZINC000064605980 568939821 /nfs/dbraw/zinc/93/98/21/568939821.db2.gz RUMISELDCHVWHZ-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)nc2)cc1 ZINC000064606002 568939855 /nfs/dbraw/zinc/93/98/55/568939855.db2.gz KTTOGQPFSBJDNX-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1 ZINC000064606061 568939894 /nfs/dbraw/zinc/93/98/94/568939894.db2.gz UOQHNSFNIUTCTG-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN COc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCc1ccccc1 ZINC000002059338 568940901 /nfs/dbraw/zinc/94/09/01/568940901.db2.gz SLMZIICCWYQQFZ-XQNSMLJCSA-N 0 0 441.527 5.916 50 0 IKAARN CCCCCCNc1c(=O)n(C)c2ccc(Br)c3c2c1-c1ccccc1C3=O ZINC000002055695 568940947 /nfs/dbraw/zinc/94/09/47/568940947.db2.gz UENHGCBIMUIUCS-UHFFFAOYSA-N 0 0 439.353 5.505 50 0 biogenic IKAARN O=C(Oc1ccc(Br)cc1Br)c1cccc(Br)c1 ZINC000002054374 568940995 /nfs/dbraw/zinc/94/09/95/568940995.db2.gz NNLIFVZNZBIXLG-UHFFFAOYSA-N 0 0 434.909 5.193 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000002060996 568941284 /nfs/dbraw/zinc/94/12/84/568941284.db2.gz IYIBCSPYVKFRKU-LPYMAVHISA-N 0 0 431.463 5.456 50 0 IKAARN O=C(C1=C(c2ccccc2)N(c2ccccc2)[C@](O)(Nc2ccccc2)C1=O)c1ccccc1 ZINC000008382519 568941358 /nfs/dbraw/zinc/94/13/58/568941358.db2.gz JJVWKRXIHIHNQW-GDLZYMKVSA-N 0 0 446.506 5.128 50 0 IKAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)Nc4ccc(F)cc4C)CC3)c12 ZINC000064612430 568941779 /nfs/dbraw/zinc/94/17/79/568941779.db2.gz VIXWQWVAFOWLOT-UHFFFAOYSA-N 0 0 438.572 5.570 50 0 IKAARN Cc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000006627515 568941985 /nfs/dbraw/zinc/94/19/85/568941985.db2.gz BSXULMFLXHYYIS-UHFFFAOYSA-N 0 0 427.617 7.141 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccccc3F)C2)c1 ZINC000064656199 568941990 /nfs/dbraw/zinc/94/19/90/568941990.db2.gz QSOQDNHVAQFZGQ-UHFFFAOYSA-N 0 0 433.508 5.761 50 0 IKAARN CC(C)COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656642 568942140 /nfs/dbraw/zinc/94/21/40/568942140.db2.gz BQKTVVFZEGCPHH-LJQANCHMSA-N 0 0 441.574 5.090 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cc(Cl)ccc2F)cc1 ZINC000064656817 568942166 /nfs/dbraw/zinc/94/21/66/568942166.db2.gz PYQMATFMUNQTGP-OAHLLOKOSA-N 0 0 435.929 5.156 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 ZINC000064656750 568942170 /nfs/dbraw/zinc/94/21/70/568942170.db2.gz VKHHRALRBQXWKL-SFHVURJKSA-N 0 0 441.574 5.151 50 0 IKAARN CCCCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656663 568942199 /nfs/dbraw/zinc/94/21/99/568942199.db2.gz RHCSTZSKHMEHJR-IBGZPJMESA-N 0 0 441.574 5.234 50 0 IKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064656520 568942209 /nfs/dbraw/zinc/94/22/09/568942209.db2.gz XYCWREROVDFHKK-GOSISDBHSA-N 0 0 441.574 5.234 50 0 IKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000064660480 568942547 /nfs/dbraw/zinc/94/25/47/568942547.db2.gz XULAVMLLCLWBAT-UHFFFAOYSA-N 0 0 438.618 5.605 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(F)cc3Br)cc12 ZINC000064666299 568942669 /nfs/dbraw/zinc/94/26/69/568942669.db2.gz VQERKRMHSQYGFP-UHFFFAOYSA-N 0 0 431.286 5.516 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000064665723 568942706 /nfs/dbraw/zinc/94/27/06/568942706.db2.gz BSMPAOUJJALOMT-UHFFFAOYSA-N 0 0 447.535 5.438 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)O[C@@H]3CC(C)(C)Oc4ccccc43)cc12 ZINC000064666353 568942720 /nfs/dbraw/zinc/94/27/20/568942720.db2.gz AFQAHUQDDHOBTD-HXUWFJFHSA-N 0 0 436.508 5.994 50 0 IKAARN O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1 ZINC000064666752 568942837 /nfs/dbraw/zinc/94/28/37/568942837.db2.gz MTKLKAXBSJLUCQ-UHFFFAOYSA-N 0 0 434.492 5.117 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000064667991 568942855 /nfs/dbraw/zinc/94/28/55/568942855.db2.gz ZJMLLAAHVWWLPM-SFHVURJKSA-N 0 0 447.604 5.238 50 0 IKAARN Cc1ccc(Cn2cnc3c(-c4ccc(Br)cc4)csc3c2=O)c(C)c1 ZINC000064667798 568942884 /nfs/dbraw/zinc/94/28/84/568942884.db2.gz NFNKQTDGFPZTNA-UHFFFAOYSA-N 0 0 425.351 5.553 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)cc1 ZINC000064666716 568942950 /nfs/dbraw/zinc/94/29/50/568942950.db2.gz MPDRVJMAEMCHQS-UHFFFAOYSA-N 0 0 444.556 5.540 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3ccccc3)cs2)n(C)c1C ZINC000064668057 568943094 /nfs/dbraw/zinc/94/30/94/568943094.db2.gz BMSQRZWNKOTLFH-UHFFFAOYSA-N 0 0 437.590 5.339 50 0 IKAARN Cc1ccc2nc(C(=O)Nc3ccc(Br)cc3F)cc(N3CCCCC3)c2c1 ZINC000064669266 568943214 /nfs/dbraw/zinc/94/32/14/568943214.db2.gz KWUNNRUJFAWNDU-UHFFFAOYSA-N 0 0 442.332 5.687 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1 ZINC000064669450 568943286 /nfs/dbraw/zinc/94/32/86/568943286.db2.gz WWFSKAMRQLRLTJ-UHFFFAOYSA-N 0 0 429.495 6.625 50 0 IKAARN Cc1ccc2nc(C(=O)Nc3ccc(Br)c(C)c3)cc(N3CCCCC3)c2c1 ZINC000064669263 568943296 /nfs/dbraw/zinc/94/32/96/568943296.db2.gz FPCAVEKRQKODAP-UHFFFAOYSA-N 0 0 438.369 5.857 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)N3CCC(C)CC3)o2)cc1 ZINC000064669321 568943305 /nfs/dbraw/zinc/94/33/05/568943305.db2.gz AWWFSOGNTDEECT-UHFFFAOYSA-N 0 0 431.580 6.496 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669369 568943322 /nfs/dbraw/zinc/94/33/22/568943322.db2.gz LQYGLUICAZYCHN-UHFFFAOYSA-N 0 0 449.913 6.970 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1C ZINC000064669377 568943341 /nfs/dbraw/zinc/94/33/41/568943341.db2.gz CPSFZCLACXEMLI-UHFFFAOYSA-N 0 0 443.522 6.933 50 0 IKAARN C[C@H](NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1)c1ccccc1 ZINC000064669412 568943343 /nfs/dbraw/zinc/94/33/43/568943343.db2.gz UEBOERXGLNIZSI-SFHVURJKSA-N 0 0 443.522 6.555 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCc3ccco3)o2)cc1 ZINC000064669318 568943345 /nfs/dbraw/zinc/94/33/45/568943345.db2.gz YGHLJMSWLJKLNH-UHFFFAOYSA-N 0 0 429.520 6.147 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669429 568943349 /nfs/dbraw/zinc/94/33/49/568943349.db2.gz FYJOUCRZWWBXLE-UHFFFAOYSA-N 0 0 447.485 6.133 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NC[C@H]3CCCO3)o2)cc1 ZINC000064669334 568943352 /nfs/dbraw/zinc/94/33/52/568943352.db2.gz YJMVHVJCVWPGKB-OAQYLSRUSA-N 0 0 433.552 5.533 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3cccc(C)c3)o2)cc1 ZINC000064669490 568943378 /nfs/dbraw/zinc/94/33/78/568943378.db2.gz NSUCPRYJNLTXHR-UHFFFAOYSA-N 0 0 439.559 6.472 50 0 IKAARN O=C(NC1CCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669554 568943417 /nfs/dbraw/zinc/94/34/17/568943417.db2.gz QXXZNEHOTQXLQX-UHFFFAOYSA-N 0 0 435.543 6.517 50 0 IKAARN CC1CCN(C(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)CC1 ZINC000064669527 568943426 /nfs/dbraw/zinc/94/34/26/568943426.db2.gz DFHSRHIJKZBRST-UHFFFAOYSA-N 0 0 435.543 6.327 50 0 IKAARN O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669519 568943463 /nfs/dbraw/zinc/94/34/63/568943463.db2.gz GOUXACDXZWAKJI-UHFFFAOYSA-N 0 0 447.485 6.846 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3ccccc3C)o2)cc1 ZINC000064669501 568943469 /nfs/dbraw/zinc/94/34/69/568943469.db2.gz XSDMOOXHONWUCW-UHFFFAOYSA-N 0 0 439.559 6.472 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCC3)o2)cc1 ZINC000064669483 568943472 /nfs/dbraw/zinc/94/34/72/568943472.db2.gz UVWNYSVTGTVMAD-UHFFFAOYSA-N 0 0 439.559 6.472 50 0 IKAARN O=C(NCCc1ccco1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669471 568943501 /nfs/dbraw/zinc/94/35/01/568943501.db2.gz VCAYWEGTEXDXSJ-UHFFFAOYSA-N 0 0 433.483 5.630 50 0 IKAARN O=C(NCc1ccco1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669521 568943540 /nfs/dbraw/zinc/94/35/40/568943540.db2.gz FYWLCZPKWCMQJW-UHFFFAOYSA-N 0 0 433.483 5.977 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)N[C@H](C)c3ccccc3)o2)cc1 ZINC000064669486 568943541 /nfs/dbraw/zinc/94/35/41/568943541.db2.gz PCRYCDZQHXYMFK-HXUWFJFHSA-N 0 0 439.559 6.725 50 0 IKAARN CCc1ccc(NC(=O)CCc2c(-c3ccc(Br)cc3)nc3ccccn32)cc1 ZINC000064675758 568943821 /nfs/dbraw/zinc/94/38/21/568943821.db2.gz LEAKLKCZPMXQKQ-UHFFFAOYSA-N 0 0 448.364 5.898 50 0 IKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000064675655 568943824 /nfs/dbraw/zinc/94/38/24/568943824.db2.gz OTSLQMQRBOGQRP-UHFFFAOYSA-N 0 0 434.337 5.644 50 0 IKAARN CCc1ccccc1NC(=O)Cn1nc(-c2nc(-c3cccc(C)c3)no2)c2ccccc21 ZINC000064677149 568943967 /nfs/dbraw/zinc/94/39/67/568943967.db2.gz IIWTWZKLDMHRMB-UHFFFAOYSA-N 0 0 437.503 5.263 50 0 IKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(Br)c(C)c1 ZINC000064690431 568944161 /nfs/dbraw/zinc/94/41/61/568944161.db2.gz VUSZVEMJEXMXED-UHFFFAOYSA-N 0 0 428.330 5.628 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)C2=O)c1 ZINC000064687825 568944189 /nfs/dbraw/zinc/94/41/89/568944189.db2.gz ASWIOPKUDDIADE-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)cc1C ZINC000064687928 568944193 /nfs/dbraw/zinc/94/41/93/568944193.db2.gz YRDFVWBGDHWBSZ-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000064687878 568944213 /nfs/dbraw/zinc/94/42/13/568944213.db2.gz YCLJWWYOKCWSJY-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN O=c1c2sc3ncccc3c2nc(SCc2ccc(F)cc2)n1CCc1ccccc1 ZINC000064700057 568944286 /nfs/dbraw/zinc/94/42/86/568944286.db2.gz BMCURQRPYLAOJN-UHFFFAOYSA-N 0 0 447.560 5.680 50 0 IKAARN COc1ccc(Cn2c(SCc3ccccc3)nc3c4cccnc4sc3c2=O)cc1 ZINC000064699995 568944300 /nfs/dbraw/zinc/94/43/00/568944300.db2.gz HWLHJCXTJGDOHG-UHFFFAOYSA-N 0 0 445.569 5.355 50 0 IKAARN COc1ccc(-c2nc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000064700413 568944354 /nfs/dbraw/zinc/94/43/54/568944354.db2.gz ILSFTURQJFXRCQ-UHFFFAOYSA-N 0 0 439.924 5.767 50 0 IKAARN Cc1ccccc1CSc1nc2c3cccnc3sc2c(=O)n1CCc1ccccc1 ZINC000064700038 568944390 /nfs/dbraw/zinc/94/43/90/568944390.db2.gz OXNBIGAOJLTJHR-UHFFFAOYSA-N 0 0 443.597 5.850 50 0 IKAARN CCN(C)C(=O)c1ccc(CSc2nc(C)c(C)c(N(C)Cc3ccccc3)n2)cc1 ZINC000036064184 568944942 /nfs/dbraw/zinc/94/49/42/568944942.db2.gz ULVHYSYJXJPFIZ-UHFFFAOYSA-N 0 0 434.609 5.114 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2cccc(Cl)c2)[C@@H](C)c2ccccc2)n1 ZINC000036063868 568945072 /nfs/dbraw/zinc/94/50/72/568945072.db2.gz PGWJLGRDFVKUOP-MSOLQXFVSA-N 0 0 425.960 5.620 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(Cl)c1 ZINC000036063864 568945137 /nfs/dbraw/zinc/94/51/37/568945137.db2.gz BTQWXLGDSFEVFF-SFHVURJKSA-N 0 0 449.938 5.614 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(F)c2)n1 ZINC000036065692 568945272 /nfs/dbraw/zinc/94/52/72/568945272.db2.gz FUTIMFHAJHGQRG-SFHVURJKSA-N 0 0 448.542 5.068 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065623 568945321 /nfs/dbraw/zinc/94/53/21/568945321.db2.gz YWWNIAIRIWKJDM-FQEVSTJZSA-N 0 0 437.559 5.407 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(F)cc2)n1 ZINC000036072194 568945874 /nfs/dbraw/zinc/94/58/74/568945874.db2.gz IVCVBERHBWDBPY-SFHVURJKSA-N 0 0 448.542 5.068 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(F)c1 ZINC000036073492 568945884 /nfs/dbraw/zinc/94/58/84/568945884.db2.gz QCXCTSOJXPNTES-SFHVURJKSA-N 0 0 433.483 5.100 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(F)cc2)n1 ZINC000036072193 568945913 /nfs/dbraw/zinc/94/59/13/568945913.db2.gz IVCVBERHBWDBPY-GOSISDBHSA-N 0 0 448.542 5.068 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCCCC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073434 568945946 /nfs/dbraw/zinc/94/59/46/568945946.db2.gz QWCJSYLEDKFOQU-QFIPXVFZSA-N 0 0 431.580 5.681 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072328 568946064 /nfs/dbraw/zinc/94/60/64/568946064.db2.gz MPAQWJGMZBYRHD-UHFFFAOYSA-N 0 0 449.448 5.173 50 0 IKAARN O=C(NC1CC1)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(Cl)c2Cl)n1 ZINC000036072566 568946252 /nfs/dbraw/zinc/94/62/52/568946252.db2.gz SRQNOUZSUJBSLE-UHFFFAOYSA-N 0 0 448.325 5.215 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2ccco2)co1)[C@@H](C)c1ccccc1 ZINC000036073522 568946253 /nfs/dbraw/zinc/94/62/53/568946253.db2.gz SVDQEICUOBGJCA-FQEVSTJZSA-N 0 0 429.520 5.269 50 0 IKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3N(C)C2=O)c1 ZINC000036076879 568946459 /nfs/dbraw/zinc/94/64/59/568946459.db2.gz DACVRZQOEKVWBO-FKDOUGATSA-N 0 0 434.605 5.659 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccccc1 ZINC000036082891 568946808 /nfs/dbraw/zinc/94/68/08/568946808.db2.gz ACNMUOIFPSCLEE-JOCHJYFZSA-N 0 0 439.559 5.676 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccccc2C(F)(F)F)n1 ZINC000036082918 568946841 /nfs/dbraw/zinc/94/68/41/568946841.db2.gz WVXOTEJAGKMXLJ-UHFFFAOYSA-N 0 0 431.458 5.034 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccccc2C(F)(F)F)[C@@H](C)c2ccccc2)n1 ZINC000036082663 568946849 /nfs/dbraw/zinc/94/68/49/568946849.db2.gz YSBLSLYDCDCNRS-KRWDZBQOSA-N 0 0 445.485 5.595 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccccc1 ZINC000036082890 568946855 /nfs/dbraw/zinc/94/68/55/568946855.db2.gz ACNMUOIFPSCLEE-QFIPXVFZSA-N 0 0 439.559 5.676 50 0 IKAARN C[C@@H](NC(=O)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1)c1ccccc1 ZINC000036083161 568947011 /nfs/dbraw/zinc/94/70/11/568947011.db2.gz ZMUIRHMYQNTRDF-OAHLLOKOSA-N 0 0 444.362 5.637 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccccc1 ZINC000036082888 568947562 /nfs/dbraw/zinc/94/75/62/568947562.db2.gz QJKCHDAIOPVAJA-UHFFFAOYSA-N 0 0 425.532 5.115 50 0 IKAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000064747623 568950038 /nfs/dbraw/zinc/95/00/38/568950038.db2.gz NYOIZKMPJWZLEC-MRXNPFEDSA-N 0 0 432.402 5.133 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747723 568950190 /nfs/dbraw/zinc/95/01/90/568950190.db2.gz APKIMBQTXRZWOZ-INIZCTEOSA-N 0 0 438.356 5.403 50 0 IKAARN CC1(C)[C@@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000006681169 568950665 /nfs/dbraw/zinc/95/06/65/568950665.db2.gz QXOZXBNHYGEBIF-OAQYLSRUSA-N 0 0 434.625 5.228 50 0 IKAARN Cc1ccc(N2N=C(c3ccccc3)C(c3ccc(NC(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000036094141 568950871 /nfs/dbraw/zinc/95/08/71/568950871.db2.gz MVUXHPUTVCPIBS-UHFFFAOYSA-N 0 0 445.522 6.473 50 0 IKAARN COc1c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2oc1C(=O)Nc1cccc(C)c1 ZINC000064755697 568951224 /nfs/dbraw/zinc/95/12/24/568951224.db2.gz IZAJFWADJRWXOW-UHFFFAOYSA-N 0 0 443.503 5.320 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(OC)cc3)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755687 568951228 /nfs/dbraw/zinc/95/12/28/568951228.db2.gz ZLTKCMXYEQEOTN-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(-c3nc4cccnc4n3C3CCCCC3)cc2)c1 ZINC000064756217 568951369 /nfs/dbraw/zinc/95/13/69/568951369.db2.gz HDCVVIAHWNOWKG-UHFFFAOYSA-N 0 0 440.547 5.542 50 0 IKAARN CC(C)CNC(=O)c1cccc(CSc2nc(N3CCCC3)cc(C(C)(C)C)n2)c1 ZINC000006695711 568952387 /nfs/dbraw/zinc/95/23/87/568952387.db2.gz SQDOBAGANIBOTM-UHFFFAOYSA-N 0 0 426.630 5.052 50 0 IKAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C(=O)C3CCCC3)C2)cc1 ZINC000006695192 568952430 /nfs/dbraw/zinc/95/24/30/568952430.db2.gz SIQXLNYXAZFGLN-OAQYLSRUSA-N 0 0 426.944 5.061 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006695025 568952512 /nfs/dbraw/zinc/95/25/12/568952512.db2.gz ZOWAHPJQJKTBLA-UHFFFAOYSA-N 0 0 429.992 5.443 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000006696499 568952736 /nfs/dbraw/zinc/95/27/36/568952736.db2.gz WGHHDINIXQWTFA-CYFREDJKSA-N 0 0 435.612 5.422 50 0 IKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)CC(C)C)c1 ZINC000036104931 568953124 /nfs/dbraw/zinc/95/31/24/568953124.db2.gz PVKCMJQYOYAPLS-UHFFFAOYSA-N 0 0 436.621 6.452 50 0 IKAARN CC(C)c1ccccc1OCc1nc(CN(C(=O)c2ccc(Cl)cc2)C(C)C)cs1 ZINC000036104971 568953148 /nfs/dbraw/zinc/95/31/48/568953148.db2.gz JGPUBOXBGGPIKR-UHFFFAOYSA-N 0 0 443.012 6.550 50 0 IKAARN CC(C)c1csc(-c2ccc(S(=O)(=O)NCc3ccccc3C(F)(F)F)s2)n1 ZINC000064769478 568953222 /nfs/dbraw/zinc/95/32/22/568953222.db2.gz OYTCVATURHTZAT-UHFFFAOYSA-N 0 0 446.541 5.492 50 0 IKAARN CC(C)c1csc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3Cl)s2)n1 ZINC000064769474 568953226 /nfs/dbraw/zinc/95/32/26/568953226.db2.gz ZCIRHWUZQQCDHI-UHFFFAOYSA-N 0 0 430.979 5.266 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)Cc1ccccc1 ZINC000036105019 568953251 /nfs/dbraw/zinc/95/32/51/568953251.db2.gz UFINWNKSHCVLHY-HXUWFJFHSA-N 0 0 436.621 6.215 50 0 IKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)CC(C)C)c1 ZINC000036105438 568953271 /nfs/dbraw/zinc/95/32/71/568953271.db2.gz ZKYCDGVYKAUYKF-UHFFFAOYSA-N 0 0 428.985 5.982 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105536 568953343 /nfs/dbraw/zinc/95/33/43/568953343.db2.gz WADKPENFKOEBLD-HNNXBMFYSA-N 0 0 449.403 6.470 50 0 IKAARN Cc1cc(C)cc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)c1 ZINC000036105210 568953384 /nfs/dbraw/zinc/95/33/84/568953384.db2.gz PGKMSYDVHDYJLP-UHFFFAOYSA-N 0 0 426.557 5.776 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036105552 568953456 /nfs/dbraw/zinc/95/34/56/568953456.db2.gz DHCKVDCSQUAWHU-MRXNPFEDSA-N 0 0 444.984 5.825 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(C)cc1 ZINC000036105596 568953481 /nfs/dbraw/zinc/95/34/81/568953481.db2.gz GXIZVOIFRIFROB-UHFFFAOYSA-N 0 0 444.984 5.363 50 0 IKAARN COc1ccccc1OCc1nc(CN(C(=O)c2ccc(Cl)cc2)C2CC2)cs1 ZINC000036105824 568953565 /nfs/dbraw/zinc/95/35/65/568953565.db2.gz ZUHKYYYVWGEQOX-UHFFFAOYSA-N 0 0 428.941 5.189 50 0 IKAARN COCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1F ZINC000036105887 568953592 /nfs/dbraw/zinc/95/35/92/568953592.db2.gz YKOYOMQUUJQYAZ-UHFFFAOYSA-N 0 0 442.556 5.075 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C(C)C)c1 ZINC000036105932 568953595 /nfs/dbraw/zinc/95/35/95/568953595.db2.gz SPBRNBKVDDTXME-UHFFFAOYSA-N 0 0 438.593 5.707 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000036105576 568953622 /nfs/dbraw/zinc/95/36/22/568953622.db2.gz BRPDDIFPUXSXSW-UHFFFAOYSA-N 0 0 433.360 5.834 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1F ZINC000036106651 568953671 /nfs/dbraw/zinc/95/36/71/568953671.db2.gz AZJSNWGZHQOPHA-UHFFFAOYSA-N 0 0 432.948 5.813 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036106492 568953682 /nfs/dbraw/zinc/95/36/82/568953682.db2.gz UDYIOQKRQSGSJM-KRWDZBQOSA-N 0 0 438.549 5.200 50 0 IKAARN CCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccc(OC)c1 ZINC000036106130 568953748 /nfs/dbraw/zinc/95/37/48/568953748.db2.gz QWCMRLSOJVUOJI-UHFFFAOYSA-N 0 0 438.593 5.708 50 0 IKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036107072 568953919 /nfs/dbraw/zinc/95/39/19/568953919.db2.gz HYXPPWGBERTAMI-UHFFFAOYSA-N 0 0 428.985 6.045 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)CC(C)C)cc1 ZINC000036107163 568953943 /nfs/dbraw/zinc/95/39/43/568953943.db2.gz OXQVTYFRDIDSHA-UHFFFAOYSA-N 0 0 438.593 5.646 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1C ZINC000064774966 568954314 /nfs/dbraw/zinc/95/43/14/568954314.db2.gz XJZJILJVUXHIKG-UHFFFAOYSA-N 0 0 442.306 5.157 50 0 IKAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O ZINC000064775029 568954357 /nfs/dbraw/zinc/95/43/57/568954357.db2.gz CABHCPLLZYESFG-UHFFFAOYSA-N 0 0 446.532 5.023 50 0 IKAARN COc1ccc(/C=C/C(=O)c2c(OC)ccc3c(-c4ccccc4)cc(=O)oc32)cc1OC ZINC000008437550 568954376 /nfs/dbraw/zinc/95/43/76/568954376.db2.gz XCAIMLNOODYNKC-FMIVXFBMSA-N 0 0 442.467 5.382 50 0 IKAARN CCCCc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1 ZINC000064775454 568954533 /nfs/dbraw/zinc/95/45/33/568954533.db2.gz YHTURGYMHDOPLW-UHFFFAOYSA-N 0 0 442.588 6.351 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000064775417 568954550 /nfs/dbraw/zinc/95/45/50/568954550.db2.gz IODMSQJRNWQRCX-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN CC(C)c1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)c1 ZINC000064775455 568954691 /nfs/dbraw/zinc/95/46/91/568954691.db2.gz FJRYSJCATOZZRR-UHFFFAOYSA-N 0 0 428.561 6.131 50 0 IKAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3cccc(C(C)C)c3)c2s1 ZINC000064775460 568954733 /nfs/dbraw/zinc/95/47/33/568954733.db2.gz PNIMCFGWZKYYSE-UHFFFAOYSA-N 0 0 443.642 5.567 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036114857 568955250 /nfs/dbraw/zinc/95/52/50/568955250.db2.gz PBDVWQFXGCLPSM-KRWDZBQOSA-N 0 0 438.549 5.200 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3cc(C)cc(C)c3)n2)C2CC2)cc1 ZINC000036115292 568955258 /nfs/dbraw/zinc/95/52/58/568955258.db2.gz SMDDILXRPGBPTP-UHFFFAOYSA-N 0 0 442.606 5.001 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036114708 568955267 /nfs/dbraw/zinc/95/52/67/568955267.db2.gz YQXIKEHKMXATLE-QGZVFWFLSA-N 0 0 438.549 5.200 50 0 IKAARN COc1cccc(OC)c1OCc1nc(CN(CC(C)C)C(=O)c2ccccc2)cs1 ZINC000036114903 568955275 /nfs/dbraw/zinc/95/52/75/568955275.db2.gz VHLZSPHCIDIQKU-UHFFFAOYSA-N 0 0 440.565 5.038 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1ccccc1F ZINC000036115028 568955445 /nfs/dbraw/zinc/95/54/45/568955445.db2.gz PAMCNAXNWHMVCP-UHFFFAOYSA-N 0 0 448.563 6.313 50 0 IKAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116755 568955745 /nfs/dbraw/zinc/95/57/45/568955745.db2.gz AVGTXRLRVXJWED-MBSDFSHPSA-N 0 0 442.625 5.023 50 0 IKAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)C ZINC000036116725 568955754 /nfs/dbraw/zinc/95/57/54/568955754.db2.gz GDNPMVOLLJBGSL-JOCHJYFZSA-N 0 0 442.625 5.023 50 0 IKAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)CC ZINC000036116913 568955800 /nfs/dbraw/zinc/95/58/00/568955800.db2.gz RADBQVXGYCBKOO-JOCHJYFZSA-N 0 0 442.625 5.025 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064787998 568956830 /nfs/dbraw/zinc/95/68/30/568956830.db2.gz DCZMRTMXEUFTKT-UHFFFAOYSA-N 0 0 449.841 5.348 50 0 IKAARN CCOc1cccc2c1cc(C(=O)N[C@@H](C)c1ccccc1)n2CCCc1ccccc1 ZINC000006705332 568957458 /nfs/dbraw/zinc/95/74/58/568957458.db2.gz STOOIJJSFBNKCV-NRFANRHFSA-N 0 0 426.560 6.164 50 0 IKAARN Cc1cccc(N[C@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)n1 ZINC000064790097 568957518 /nfs/dbraw/zinc/95/75/18/568957518.db2.gz OBUAFTKVUWQOPI-JOCHJYFZSA-N 0 0 449.601 6.439 50 0 IKAARN O=C(c1ccccc1)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000036124448 568958666 /nfs/dbraw/zinc/95/86/66/568958666.db2.gz OCQVOKNKVJOKBT-UHFFFAOYSA-N 0 0 433.360 5.834 50 0 IKAARN CC(C)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)NC(C)(C)C ZINC000036124547 568958808 /nfs/dbraw/zinc/95/88/08/568958808.db2.gz UWCXQQBTQVEOIM-UHFFFAOYSA-N 0 0 430.401 5.747 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C(C)C)cc2)c(CC(C)C)nn1-c1cccc(C)c1 ZINC000036124944 568958857 /nfs/dbraw/zinc/95/88/57/568958857.db2.gz RSPPHAHVCXTFHU-UHFFFAOYSA-N 0 0 433.552 5.566 50 0 IKAARN CCCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)C2CCCC2)cc1 ZINC000036124607 568958933 /nfs/dbraw/zinc/95/89/33/568958933.db2.gz OAVCSDFCYFTUFR-UHFFFAOYSA-N 0 0 445.563 5.854 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)[C@H](C)CC ZINC000006708353 568958943 /nfs/dbraw/zinc/95/89/43/568958943.db2.gz IKAKATUBTJTJHS-QGZVFWFLSA-N 0 0 429.630 5.630 50 0 IKAARN Cc1cc(Nc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791596 568959030 /nfs/dbraw/zinc/95/90/30/568959030.db2.gz XSTLXHIVFAIKNA-UHFFFAOYSA-N 0 0 449.518 5.107 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)c2)c(C)c1 ZINC000064791592 568959053 /nfs/dbraw/zinc/95/90/53/568959053.db2.gz MXSLXQGEFCBWQV-UHFFFAOYSA-N 0 0 449.518 5.107 50 0 IKAARN CSc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064798369 568960459 /nfs/dbraw/zinc/96/04/59/568960459.db2.gz KLRFVSUEGLPFCK-KRWDZBQOSA-N 0 0 429.588 5.085 50 0 IKAARN Cc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1C ZINC000064798774 568960583 /nfs/dbraw/zinc/96/05/83/568960583.db2.gz NCTGCKIXRPVTHG-QGZVFWFLSA-N 0 0 431.966 5.325 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)[C@H](C)C(C)C)c1 ZINC000006711881 568960920 /nfs/dbraw/zinc/96/09/20/568960920.db2.gz PGLWCOWUZAZBRG-QGZVFWFLSA-N 0 0 429.992 5.441 50 0 IKAARN CCc1ccccc1[C@H](CC(=O)OC)N[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000036136636 568961021 /nfs/dbraw/zinc/96/10/21/568961021.db2.gz VIRAINOWLHFODO-CSFCJLNVSA-N 0 0 448.607 5.422 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1 ZINC000064799933 568961299 /nfs/dbraw/zinc/96/12/99/568961299.db2.gz WTFFCUPAEJREIO-UHFFFAOYSA-N 0 0 443.595 5.097 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc(NC2CCCCC2)n1 ZINC000064801663 568961485 /nfs/dbraw/zinc/96/14/85/568961485.db2.gz OVRFUIMTMAFFJA-UHFFFAOYSA-N 0 0 444.583 6.534 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)Nc4ccccc4F)cc3)n2)cc1 ZINC000064801629 568961528 /nfs/dbraw/zinc/96/15/28/568961528.db2.gz MAKBUGJKQHUZIK-UHFFFAOYSA-N 0 0 442.498 6.364 50 0 IKAARN CC(=O)Nc1ccc(-c2c(-c3cccc(C)c3)nn(-c3cccc(C)c3)c2OC(C)=O)cc1 ZINC000036145388 568961697 /nfs/dbraw/zinc/96/16/97/568961697.db2.gz JVBDLCHXRSCLOI-UHFFFAOYSA-N 0 0 439.515 5.707 50 0 IKAARN COCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccs1 ZINC000036145503 568961699 /nfs/dbraw/zinc/96/16/99/568961699.db2.gz FQOQUBXMHCWXDU-UHFFFAOYSA-N 0 0 433.573 5.274 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)CC(C)(C)C)cc2)c(C(C)C)nn1-c1ccccc1 ZINC000036145287 568961714 /nfs/dbraw/zinc/96/17/14/568961714.db2.gz QPNVOLNYZNRDCU-UHFFFAOYSA-N 0 0 433.552 5.963 50 0 IKAARN CCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000036145406 568961850 /nfs/dbraw/zinc/96/18/50/568961850.db2.gz VHLTUSBMBDSVDE-UHFFFAOYSA-N 0 0 433.552 5.710 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000006722262 568962937 /nfs/dbraw/zinc/96/29/37/568962937.db2.gz CGFFKRBKGRPZFC-FQEVSTJZSA-N 0 0 437.628 5.873 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722186 568962951 /nfs/dbraw/zinc/96/29/51/568962951.db2.gz DXJDGYGVCFIYIS-KRWDZBQOSA-N 0 0 429.630 5.630 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722288 568963001 /nfs/dbraw/zinc/96/30/01/568963001.db2.gz DPMVIGXRPYUIBG-KRWDZBQOSA-N 0 0 427.614 5.240 50 0 IKAARN CN(C)c1ccc(NC(=O)c2cccs2)cc1CN(CC1CC1)C(=O)CC(C)(C)C ZINC000006722414 568963057 /nfs/dbraw/zinc/96/30/57/568963057.db2.gz MXOMHHROEPSTMH-UHFFFAOYSA-N 0 0 427.614 5.241 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C1CC1 ZINC000006722497 568963113 /nfs/dbraw/zinc/96/31/13/568963113.db2.gz VIIZFIKZMAZISX-MRXNPFEDSA-N 0 0 427.976 5.195 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)C1CC1 ZINC000006722475 568963142 /nfs/dbraw/zinc/96/31/42/568963142.db2.gz CINFAERHACWQNJ-IBGZPJMESA-N 0 0 435.612 5.627 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000006722851 568963160 /nfs/dbraw/zinc/96/31/60/568963160.db2.gz DYLDJVXMZDYYRB-SFHVURJKSA-N 0 0 427.564 5.173 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)Nc2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000006722706 568963163 /nfs/dbraw/zinc/96/31/63/568963163.db2.gz HOCCLAHJLLKXLV-KRWDZBQOSA-N 0 0 428.552 5.319 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@H](C)C(C)C ZINC000006722789 568963187 /nfs/dbraw/zinc/96/31/87/568963187.db2.gz DACKVOOXKKLVTE-LJQANCHMSA-N 0 0 431.665 5.937 50 0 IKAARN CCCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006722933 568963190 /nfs/dbraw/zinc/96/31/90/568963190.db2.gz CDPWEBPKZWMJTL-UHFFFAOYSA-N 0 0 427.564 5.319 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006722561 568963204 /nfs/dbraw/zinc/96/32/04/568963204.db2.gz YVFKZVRITQGUAA-SFHVURJKSA-N 0 0 427.564 5.317 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000006723041 568963301 /nfs/dbraw/zinc/96/33/01/568963301.db2.gz YARWZBAIDOIBFM-XMMPIXPASA-N 0 0 435.612 5.280 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000006723040 568963326 /nfs/dbraw/zinc/96/33/26/568963326.db2.gz YARWZBAIDOIBFM-DEOSSOPVSA-N 0 0 435.612 5.280 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1cccc(F)c1)C(=O)N2Cc1ccccc1 ZINC000036151677 568963330 /nfs/dbraw/zinc/96/33/30/568963330.db2.gz BNLJYELNWYWUQW-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccccc1F)C(=O)N2Cc1ccccc1 ZINC000036151669 568963375 /nfs/dbraw/zinc/96/33/75/568963375.db2.gz ITLZLKQOVNJNHC-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C(C)C ZINC000006723114 568963382 /nfs/dbraw/zinc/96/33/82/568963382.db2.gz TWNPADXKNIOTHS-KRWDZBQOSA-N 0 0 429.992 5.441 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036151549 568963389 /nfs/dbraw/zinc/96/33/89/568963389.db2.gz INPSRCZLLUANCA-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@@]23c2cc(C)ccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000036152682 568963665 /nfs/dbraw/zinc/96/36/65/568963665.db2.gz DJMIPQBRITTZGT-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN CC1(C)CN(C(=O)c2cccc(F)c2)[C@@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152983 568963831 /nfs/dbraw/zinc/96/38/31/568963831.db2.gz CILCCGIVOKRHIV-AREMUKBSSA-N 0 0 446.547 5.193 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000036151305 568963967 /nfs/dbraw/zinc/96/39/67/568963967.db2.gz HMMPMPZXKAZWSY-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN CCN1c2ccc(F)cc2[C@]2(SC(C)(C)CN2C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000036151264 568963994 /nfs/dbraw/zinc/96/39/94/568963994.db2.gz SPCONRKEHDSZFD-NRFANRHFSA-N 0 0 433.936 5.058 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)Nc2ccccc2F)C1=O ZINC000036151485 568964136 /nfs/dbraw/zinc/96/41/36/568964136.db2.gz KAWKTKKOAAYYOP-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2ccc(OC)c(OC)c2)c1-c1cccs1 ZINC000064816660 568964267 /nfs/dbraw/zinc/96/42/67/568964267.db2.gz TZKHBAXJDMQOHU-UHFFFAOYSA-N 0 0 435.549 5.729 50 0 IKAARN O=C(NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1)Nc1ccccc1 ZINC000064816679 568964335 /nfs/dbraw/zinc/96/43/35/568964335.db2.gz ABPMXCMOXOOPJQ-UHFFFAOYSA-N 0 0 437.568 6.740 50 0 IKAARN CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(CCc3ccccc3)c(=O)c21 ZINC000064817109 568964381 /nfs/dbraw/zinc/96/43/81/568964381.db2.gz NOKKKXYIMMBRJN-UHFFFAOYSA-N 0 0 432.593 5.073 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccccc3Cl)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817162 568964406 /nfs/dbraw/zinc/96/44/06/568964406.db2.gz JYPYDYVEWIAERP-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817409 568964549 /nfs/dbraw/zinc/96/45/49/568964549.db2.gz JIGMVFUPSFNYQE-UHFFFAOYSA-N 0 0 436.556 5.018 50 0 IKAARN CCn1nc(C)c2nc(SCc3c(F)cccc3Cl)n(Cc3cccs3)c(=O)c21 ZINC000064817577 568964915 /nfs/dbraw/zinc/96/49/15/568964915.db2.gz ICNLWMASIZAKLY-UHFFFAOYSA-N 0 0 448.976 5.116 50 0 IKAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1F ZINC000036156483 568965285 /nfs/dbraw/zinc/96/52/85/568965285.db2.gz UJUQMHDVEAQLHW-UHFFFAOYSA-N 0 0 449.570 6.160 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819064 568965859 /nfs/dbraw/zinc/96/58/59/568965859.db2.gz ODYLUHZNWZZRKJ-CQSZACIVSA-N 0 0 448.876 5.466 50 0 IKAARN CCN(CC)c1nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2c(=O)n1-c1ccccc1 ZINC000064819534 568966581 /nfs/dbraw/zinc/96/65/81/568966581.db2.gz BTVIAOASYSFOSC-UHFFFAOYSA-N 0 0 446.938 5.138 50 0 IKAARN CC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc32)cc1 ZINC000064819999 568966829 /nfs/dbraw/zinc/96/68/29/568966829.db2.gz KSTVRCGFJZCLGW-UHFFFAOYSA-N 0 0 425.941 5.023 50 0 IKAARN Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000064820500 568967148 /nfs/dbraw/zinc/96/71/48/568967148.db2.gz TXLAKDAMXDOIHG-UHFFFAOYSA-N 0 0 449.595 5.038 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000036161637 568967641 /nfs/dbraw/zinc/96/76/41/568967641.db2.gz WALOXTLAPCJMDP-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000036161864 568967826 /nfs/dbraw/zinc/96/78/26/568967826.db2.gz PLZDJEREVGEEFR-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@]3(SCCN3C(=O)c3ccccc3F)C2=O)cc1 ZINC000036164818 568968125 /nfs/dbraw/zinc/96/81/25/568968125.db2.gz REFOUUWTKFKVCX-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1cccc(C)c1 ZINC000036164891 568968235 /nfs/dbraw/zinc/96/82/35/568968235.db2.gz MCJFLGOCZMIYCD-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN CC(C)CC(=O)N1CCS[C@@]12c1cc(Cl)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165728 568968400 /nfs/dbraw/zinc/96/84/00/568968400.db2.gz TXLNGLZLGMABEM-JOCHJYFZSA-N 0 0 449.403 5.315 50 0 IKAARN Cc1cccc(CN2C(=O)C[C@H](c3ccccc3Cl)C(C(=O)OCC(C)C)=C2C)c1 ZINC000006734649 568968661 /nfs/dbraw/zinc/96/86/61/568968661.db2.gz NHZZJPRJRAOAMR-OAQYLSRUSA-N 0 0 425.956 5.638 50 0 IKAARN Cc1ccc(-c2noc(CN(C(=O)Cc3ccc(-c4ccccc4)cc3)C(C)C)n2)cc1 ZINC000006736954 568969429 /nfs/dbraw/zinc/96/94/29/568969429.db2.gz QYYLPGSQAPMVSV-UHFFFAOYSA-N 0 0 425.532 5.692 50 0 IKAARN CCOc1ccc(CCNc2ncnc3c(-c4ccc(Cl)cc4)noc32)cc1OCC ZINC000064835111 568969567 /nfs/dbraw/zinc/96/95/67/568969567.db2.gz HAFIBWQHEIWKMW-UHFFFAOYSA-N 0 0 438.915 5.390 50 0 IKAARN Cc1cc(NC(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)ccc1Br ZINC000064840127 568969784 /nfs/dbraw/zinc/96/97/84/568969784.db2.gz GKDRJLFRUCSTDO-UHFFFAOYSA-N 0 0 449.736 5.167 50 0 IKAARN COc1cccc([C@H](CNC(=O)CCc2ccccc2)c2c[nH]c3ccccc32)c1OC ZINC000036185265 568970207 /nfs/dbraw/zinc/97/02/07/568970207.db2.gz MSASIEDVXKODBD-QHCPKHFHSA-N 0 0 428.532 5.066 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847814 568971184 /nfs/dbraw/zinc/97/11/84/568971184.db2.gz JERCYPQFAQXZFT-MRXNPFEDSA-N 0 0 429.948 5.257 50 0 IKAARN CCOc1ccc(C2=Nc3cc(CC)ccc3N=C(c3ccc(C)cc3)N2)cc1OCC ZINC000006743665 568971930 /nfs/dbraw/zinc/97/19/30/568971930.db2.gz LJHQMPMCJVAISE-UHFFFAOYSA-N 0 0 427.548 6.305 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000064846685 568971942 /nfs/dbraw/zinc/97/19/42/568971942.db2.gz GGPLIDCOHMDBIO-UHFFFAOYSA-N 0 0 443.975 5.078 50 0 IKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccc(Br)o3)CC1)N2 ZINC000064858538 568972213 /nfs/dbraw/zinc/97/22/13/568972213.db2.gz MEHVYOPOBNFLFJ-UHFFFAOYSA-N 0 0 440.341 5.007 50 0 biogenic IKAARN CCCN(Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1cccc(OC)c1OC ZINC000036202410 568972476 /nfs/dbraw/zinc/97/24/76/568972476.db2.gz NPXQTIFSYCNLPC-UHFFFAOYSA-N 0 0 427.585 5.829 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCOC)C(=O)c1ccc(Cl)cc1 ZINC000036208144 568973095 /nfs/dbraw/zinc/97/30/95/568973095.db2.gz FYELTIYKSVACMK-UHFFFAOYSA-N 0 0 441.959 5.130 50 0 IKAARN Cc1cc(C)cc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c1 ZINC000006752590 568973930 /nfs/dbraw/zinc/97/39/30/568973930.db2.gz QGXJGQBLCBBKSZ-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)cc1 ZINC000006753176 568975288 /nfs/dbraw/zinc/97/52/88/568975288.db2.gz AVWMXUJDFQVROP-FPOVZHCZSA-N 0 0 425.532 5.565 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1cc(F)ccc1F ZINC000064869614 568976314 /nfs/dbraw/zinc/97/63/14/568976314.db2.gz GQBQGGKLEOGAFN-LJQANCHMSA-N 0 0 445.491 5.018 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1cc(F)ccc1F ZINC000064869612 568976318 /nfs/dbraw/zinc/97/63/18/568976318.db2.gz GQBQGGKLEOGAFN-IBGZPJMESA-N 0 0 445.491 5.018 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cc(Cl)ccc2C)=Nc2ccccc2N1 ZINC000064869749 568976513 /nfs/dbraw/zinc/97/65/13/568976513.db2.gz VSVGRLNKEVZWRN-UHFFFAOYSA-N 0 0 443.956 5.313 50 0 IKAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000064872073 568977775 /nfs/dbraw/zinc/97/77/75/568977775.db2.gz BNOUGUYDMWFIAE-UHFFFAOYSA-N 0 0 434.970 5.041 50 0 IKAARN CC(C)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000064872074 568977795 /nfs/dbraw/zinc/97/77/95/568977795.db2.gz ZZWYADSLIDYROP-UHFFFAOYSA-N 0 0 448.997 5.602 50 0 IKAARN COc1cc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc(OC)c1OC ZINC000064872295 568978391 /nfs/dbraw/zinc/97/83/91/568978391.db2.gz AYHIFZBFPUSQPI-UHFFFAOYSA-N 0 0 448.544 5.792 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872353 568978465 /nfs/dbraw/zinc/97/84/65/568978465.db2.gz BDJQUKQPMIGVCF-UHFFFAOYSA-N 0 0 440.927 6.568 50 0 IKAARN COc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1Cl ZINC000064872352 568978469 /nfs/dbraw/zinc/97/84/69/568978469.db2.gz ONZOHHBJORUKDK-UHFFFAOYSA-N 0 0 426.900 6.259 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872338 568978473 /nfs/dbraw/zinc/97/84/73/568978473.db2.gz DUWWJFHNZHARLR-UHFFFAOYSA-N 0 0 441.325 6.360 50 0 IKAARN COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000006763207 568978760 /nfs/dbraw/zinc/97/87/60/568978760.db2.gz VBAMYLJKRBXPDG-AREMUKBSSA-N 0 0 431.580 6.381 50 0 IKAARN CC[C@@H](C)NC(=O)CCN(CC(C)C)c1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000006766247 568978784 /nfs/dbraw/zinc/97/87/84/568978784.db2.gz MIKUSGXUYDVTEW-MRXNPFEDSA-N 0 0 428.964 5.310 50 0 IKAARN COc1ccccc1[C@H]1c2cccn2CCN1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000006763205 568978807 /nfs/dbraw/zinc/97/88/07/568978807.db2.gz VBAMYLJKRBXPDG-SANMLTNESA-N 0 0 431.580 6.381 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)c1cccc(C)c1 ZINC000036245859 568981473 /nfs/dbraw/zinc/98/14/73/568981473.db2.gz YLJOWBSEOGQHAD-QHCPKHFHSA-N 0 0 447.579 5.318 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)CC(C)(C)C ZINC000036245841 568981561 /nfs/dbraw/zinc/98/15/61/568981561.db2.gz AFKHLPYROXEDGA-FQEVSTJZSA-N 0 0 427.589 5.132 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccc(Cl)cc1 ZINC000036245928 568981569 /nfs/dbraw/zinc/98/15/69/568981569.db2.gz NAFZNROSGWVQHZ-GOSISDBHSA-N 0 0 439.987 6.281 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)c1ccccc1C ZINC000036245851 568981572 /nfs/dbraw/zinc/98/15/72/568981572.db2.gz DATWMADBEPRHDQ-QFIPXVFZSA-N 0 0 447.579 5.318 50 0 IKAARN CC(C)N(C)c1onc(-c2ccccc2)c1CN(Cc1ccco1)C(=O)c1ccccc1 ZINC000036245947 568981653 /nfs/dbraw/zinc/98/16/53/568981653.db2.gz KWTVLTRNFZKREM-UHFFFAOYSA-N 0 0 429.520 5.622 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000036246011 568981677 /nfs/dbraw/zinc/98/16/77/568981677.db2.gz DXPVZJKTYLQRJB-UHFFFAOYSA-N 0 0 447.510 5.763 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccco2)Cc2c(-c3ccccc3)noc2N(C)C(C)C)cc1 ZINC000036245948 568981723 /nfs/dbraw/zinc/98/17/23/568981723.db2.gz UBYGXGBMIRSFEQ-UHFFFAOYSA-N 0 0 443.547 5.930 50 0 IKAARN COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246455 568981900 /nfs/dbraw/zinc/98/19/00/568981900.db2.gz CNEDSSFQVRDKDV-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN C[C@@H](c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036246594 568981955 /nfs/dbraw/zinc/98/19/55/568981955.db2.gz KAARWURPINMPDB-AWEZNQCLSA-N 0 0 433.888 5.164 50 0 IKAARN COc1ccc([C@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246753 568981961 /nfs/dbraw/zinc/98/19/61/568981961.db2.gz QPOZARNJFQHNRL-INIZCTEOSA-N 0 0 447.503 5.247 50 0 IKAARN COc1ccc([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246734 568981963 /nfs/dbraw/zinc/98/19/63/568981963.db2.gz NZIOMGWAGLSORA-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246732 568981977 /nfs/dbraw/zinc/98/19/77/568981977.db2.gz NZIOMGWAGLSORA-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246857 568982024 /nfs/dbraw/zinc/98/20/24/568982024.db2.gz XSDNFZNTFJNWRO-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246866 568982090 /nfs/dbraw/zinc/98/20/90/568982090.db2.gz KOMBLCOQNLQVJJ-INIZCTEOSA-N 0 0 431.941 5.314 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246849 568982095 /nfs/dbraw/zinc/98/20/95/568982095.db2.gz UMNDVEUGJODTIZ-MRXNPFEDSA-N 0 0 447.503 5.247 50 0 IKAARN COc1cccc([C@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246920 568982150 /nfs/dbraw/zinc/98/21/50/568982150.db2.gz LNWKQOUOFWZJTF-HNNXBMFYSA-N 0 0 436.360 5.959 50 0 IKAARN COc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248178 568982622 /nfs/dbraw/zinc/98/26/22/568982622.db2.gz HDDNWNSUQATFNG-UHFFFAOYSA-N 0 0 441.858 5.161 50 0 IKAARN COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1OC ZINC000036248475 568982759 /nfs/dbraw/zinc/98/27/59/568982759.db2.gz RZKMFYXIAXTXKF-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN CCNC(=S)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1ccc(F)cc1 ZINC000036249079 568983001 /nfs/dbraw/zinc/98/30/01/568983001.db2.gz BKTUQBZWVINDSE-UHFFFAOYSA-N 0 0 440.588 5.222 50 0 IKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)c1ccc(F)cc1)C1CC1 ZINC000036248987 568983041 /nfs/dbraw/zinc/98/30/41/568983041.db2.gz KCBDGKNWIRGPKP-UHFFFAOYSA-N 0 0 425.479 5.271 50 0 IKAARN COc1ccc([C@@H](C)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248748 568983382 /nfs/dbraw/zinc/98/33/82/568983382.db2.gz RKUPPFNVJSQWJI-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1cccc([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036248758 568983407 /nfs/dbraw/zinc/98/34/07/568983407.db2.gz BIUUBZORIBSPMO-CQSZACIVSA-N 0 0 437.895 5.583 50 0 IKAARN COc1ccc([C@H](C)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248747 568983419 /nfs/dbraw/zinc/98/34/19/568983419.db2.gz RKUPPFNVJSQWJI-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1 ZINC000036249436 568983428 /nfs/dbraw/zinc/98/34/28/568983428.db2.gz UYXXVKXYIWWPCF-UHFFFAOYSA-N 0 0 431.536 5.145 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2cccc(F)c2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248665 568983433 /nfs/dbraw/zinc/98/34/33/568983433.db2.gz YNNYCOWCESCQAZ-INIZCTEOSA-N 0 0 447.503 5.247 50 0 IKAARN Cc1ccc(NC(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1 ZINC000036249642 568983557 /nfs/dbraw/zinc/98/35/57/568983557.db2.gz VIACIEHITCHUJA-UHFFFAOYSA-N 0 0 430.552 5.837 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)c1ccccc1C ZINC000036249594 568984008 /nfs/dbraw/zinc/98/40/08/568984008.db2.gz ABCCYJDXUNQKGS-FQEVSTJZSA-N 0 0 449.620 5.644 50 0 IKAARN COc1ccc(CN(C)C(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(OC)c1OC ZINC000006787844 568985965 /nfs/dbraw/zinc/98/59/65/568985965.db2.gz UCPSNOFCVYYHKU-UHFFFAOYSA-N 0 0 425.525 5.092 50 0 IKAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928904 568987242 /nfs/dbraw/zinc/98/72/42/568987242.db2.gz XQUSUEMKYYXBJO-NRFANRHFSA-N 0 0 432.543 5.480 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930438 568988922 /nfs/dbraw/zinc/98/89/22/568988922.db2.gz USDOYOORVPVZJB-QGZVFWFLSA-N 0 0 441.944 5.121 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064930563 568989053 /nfs/dbraw/zinc/98/90/53/568989053.db2.gz VPWQVYJXWAATIG-IBGZPJMESA-N 0 0 435.553 5.030 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000064930616 568989061 /nfs/dbraw/zinc/98/90/61/568989061.db2.gz WORJSVARTRAPMD-IBGZPJMESA-N 0 0 435.553 5.085 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)Nc3ccccc3Cl)s2)cc1 ZINC000064930558 568989069 /nfs/dbraw/zinc/98/90/69/568989069.db2.gz HZRQKVSBIZQCET-KRWDZBQOSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000064930694 568989076 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CC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(C)cc3)C2)cc1 ZINC000064967224 569001801 /nfs/dbraw/zinc/00/18/01/569001801.db2.gz MVSDNZAMCXZOOE-UHFFFAOYSA-N 0 0 441.556 6.124 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000064967348 569001853 /nfs/dbraw/zinc/00/18/53/569001853.db2.gz JRJRBALPQQELPZ-UHFFFAOYSA-N 0 0 447.535 6.069 50 0 IKAARN Cc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 ZINC000064967352 569001880 /nfs/dbraw/zinc/00/18/80/569001880.db2.gz JFVFPLRTBRVRBQ-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)cc1 ZINC000064967354 569001930 /nfs/dbraw/zinc/00/19/30/569001930.db2.gz HLQMNTHZMRXVGJ-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(F)c(C)c3)C2)cc1 ZINC000064967321 569001938 /nfs/dbraw/zinc/00/19/38/569001938.db2.gz NLWLOKQJCFFNCI-UHFFFAOYSA-N 0 0 447.535 6.069 50 0 IKAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968111 569076101 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Cc1cc(C)cc(OC(=O)c2cn(-c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c1 ZINC000064977322 569077058 /nfs/dbraw/zinc/07/70/58/569077058.db2.gz MXUDMRWONJLIRA-UHFFFAOYSA-N 0 0 437.417 5.846 50 0 IKAARN Cc1ccc(C(=O)NCCCc2ccccc2)cc1NC(=O)c1nsc2ccccc21 ZINC000064972608 569077060 /nfs/dbraw/zinc/07/70/60/569077060.db2.gz XIUSNVXNKFGQGS-UHFFFAOYSA-N 0 0 429.545 5.220 50 0 IKAARN COc1ccc(OC(=O)c2cn(-c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1 ZINC000064977330 569077070 /nfs/dbraw/zinc/07/70/70/569077070.db2.gz HQTGNOZSLRGVHP-UHFFFAOYSA-N 0 0 439.389 5.237 50 0 IKAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000064976731 569077295 /nfs/dbraw/zinc/07/72/95/569077295.db2.gz PDHKSYGGWKEZTP-UHFFFAOYSA-N 0 0 447.560 5.193 50 0 IKAARN CCCOc1ccc(OC(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)cc1 ZINC000064977206 569077503 /nfs/dbraw/zinc/07/75/03/569077503.db2.gz ZJBRGNGLLJBVRQ-UHFFFAOYSA-N 0 0 429.472 5.007 50 0 IKAARN CCCN1c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2Sc2ccccc2C1=O ZINC000064979769 569078296 /nfs/dbraw/zinc/07/82/96/569078296.db2.gz YLGQJAJQARPOMM-KRWDZBQOSA-N 0 0 432.545 5.614 50 0 IKAARN O=C(/C=C/c1cccs1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CCCC1 ZINC000064979838 569078314 /nfs/dbraw/zinc/07/83/14/569078314.db2.gz BNXPOFXSTOKSOW-WYMLVPIESA-N 0 0 446.597 6.454 50 0 IKAARN CCCN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2Sc2ccccc2C1=O ZINC000064979773 569078327 /nfs/dbraw/zinc/07/83/27/569078327.db2.gz SNYQMSIJWDHJAU-UHFFFAOYSA-N 0 0 446.616 6.363 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)ncn5C4CCCC4)no3)CC2=O)cc1 ZINC000064980108 569078335 /nfs/dbraw/zinc/07/83/35/569078335.db2.gz BEVDURGZKQUSEQ-GOSISDBHSA-N 0 0 427.508 5.030 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2Sc2ccccc2C1=O ZINC000064980241 569078357 /nfs/dbraw/zinc/07/83/57/569078357.db2.gz MTTKRABGJLQASU-UHFFFAOYSA-N 0 0 447.947 6.578 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccccc4F)n3)cc2Sc2ccccc2C1=O ZINC000064980235 569078368 /nfs/dbraw/zinc/07/83/68/569078368.db2.gz MUBNMZJAWREQCZ-UHFFFAOYSA-N 0 0 431.492 6.064 50 0 IKAARN O=C1C[C@H](c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)CN1c1cccc(Cl)c1 ZINC000064980111 569078424 /nfs/dbraw/zinc/07/84/24/569078424.db2.gz XHJWSOLSSKASPS-INIZCTEOSA-N 0 0 447.926 5.375 50 0 IKAARN CN1c2ccc(-c3noc(C45CC6CC(CC(C6)C4)C5)n3)cc2Sc2ccccc2C1=O ZINC000064980129 569078432 /nfs/dbraw/zinc/07/84/32/569078432.db2.gz PRTYBOUYUZDZEO-UHFFFAOYSA-N 0 0 443.572 5.946 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4cccc(F)c4)n3)ccc2N1C1CC1 ZINC000064980265 569078495 /nfs/dbraw/zinc/07/84/95/569078495.db2.gz MXBVZVSDLGYDGE-UHFFFAOYSA-N 0 0 429.476 5.817 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc2N1C1CC1 ZINC000064980246 569078541 /nfs/dbraw/zinc/07/85/41/569078541.db2.gz IAQKIPDGCBCPNI-UHFFFAOYSA-N 0 0 443.503 5.740 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccco4)n3)ccc2N1C1CCCC1 ZINC000064980284 569078551 /nfs/dbraw/zinc/07/85/51/569078551.db2.gz DUVLDBRNZVKOGL-UHFFFAOYSA-N 0 0 429.501 6.051 50 0 IKAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)Sc2ccccc2C(=O)N3C(C)C)no1 ZINC000064980325 569078554 /nfs/dbraw/zinc/07/85/54/569078554.db2.gz XKTQKPUMIQYBPE-UHFFFAOYSA-N 0 0 433.558 6.293 50 0 IKAARN O=C(CN1CCc2ccccc2C1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000036340955 569079134 /nfs/dbraw/zinc/07/91/34/569079134.db2.gz ZBLWWNXGTVWCMK-RUZDIDTESA-N 0 0 447.941 5.215 50 0 IKAARN Cc1cccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343795 569079802 /nfs/dbraw/zinc/07/98/02/569079802.db2.gz HXTBNNBKRHUZOQ-SANMLTNESA-N 0 0 443.978 5.384 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344792 569080164 /nfs/dbraw/zinc/08/01/64/569080164.db2.gz NMCLXXYXEBMPEV-MHZLTWQESA-N 0 0 441.550 5.179 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036344803 569080254 /nfs/dbraw/zinc/08/02/54/569080254.db2.gz KLYFRWKUDRBMEY-AREMUKBSSA-N 0 0 429.539 5.252 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344670 569080306 /nfs/dbraw/zinc/08/03/06/569080306.db2.gz VRBGAZFPMHESPR-NDEPHWFRSA-N 0 0 439.603 5.730 50 0 IKAARN Cc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345053 569080382 /nfs/dbraw/zinc/08/03/82/569080382.db2.gz UJOAUVZMXNBFAI-VWLOTQADSA-N 0 0 431.967 5.458 50 0 IKAARN COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345145 569080616 /nfs/dbraw/zinc/08/06/16/569080616.db2.gz DBSJKQMMDKVMNI-MHZLTWQESA-N 0 0 441.575 5.122 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000036347358 569081382 /nfs/dbraw/zinc/08/13/82/569081382.db2.gz DQQYWAVCQDHZPI-QHCPKHFHSA-N 0 0 430.470 5.519 50 0 IKAARN CCOc1cc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347387 569081391 /nfs/dbraw/zinc/08/13/91/569081391.db2.gz KKZZVXKAXSFUSS-HSZRJFAPSA-N 0 0 430.470 5.607 50 0 IKAARN FC(F)(F)c1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347371 569081406 /nfs/dbraw/zinc/08/14/06/569081406.db2.gz QYDBYGXEKLRPLS-OAQYLSRUSA-N 0 0 438.415 6.521 50 0 IKAARN COc1cccc([C@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)c1OC ZINC000036347956 569081711 /nfs/dbraw/zinc/08/17/11/569081711.db2.gz KDQDMPZZFPWIGJ-QFIPXVFZSA-N 0 0 430.470 5.519 50 0 IKAARN COc1ccccc1Oc1cc(C(C)C)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349484 569081722 /nfs/dbraw/zinc/08/17/22/569081722.db2.gz QYEPRDDSKLWBTI-UHFFFAOYSA-N 0 0 434.483 6.712 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000036347866 569081740 /nfs/dbraw/zinc/08/17/40/569081740.db2.gz ALVKVOIHRDEAKZ-VWLOTQADSA-N 0 0 448.607 5.807 50 0 IKAARN Clc1cccc(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347878 569081774 /nfs/dbraw/zinc/08/17/74/569081774.db2.gz UMQIIRGGOJFWIZ-MHZLTWQESA-N 0 0 428.963 6.929 50 0 IKAARN Clc1ccc(CSc2cnnc(Cl)c2SCc2ccc(Cl)cc2)cc1 ZINC000001693179 569081867 /nfs/dbraw/zinc/08/18/67/569081867.db2.gz PBPBYIBTRMVMCB-UHFFFAOYSA-N 0 0 427.809 7.021 50 0 IKAARN c1ccc(CSc2cnnc(SCc3ccccc3)c2SCc2ccccc2)cc1 ZINC000001692121 569081899 /nfs/dbraw/zinc/08/18/99/569081899.db2.gz YVNKYYPQJATQTE-UHFFFAOYSA-N 0 0 446.666 7.354 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cc(NC4CCCCC4)ncn3)c2)cc1OC ZINC000064989623 569083031 /nfs/dbraw/zinc/08/30/31/569083031.db2.gz WBTAFYCASKUQFO-UHFFFAOYSA-N 0 0 432.524 5.158 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)cc1 ZINC000064990315 569083275 /nfs/dbraw/zinc/08/32/75/569083275.db2.gz HYJNZTWKQZTQRJ-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990527 569083325 /nfs/dbraw/zinc/08/33/25/569083325.db2.gz RDRTXJBHBRGNKA-INIZCTEOSA-N 0 0 449.938 5.262 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990540 569083336 /nfs/dbraw/zinc/08/33/36/569083336.db2.gz HLJUXOULNWLPSD-KRWDZBQOSA-N 0 0 433.939 5.562 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064990566 569083364 /nfs/dbraw/zinc/08/33/64/569083364.db2.gz KNEWSGWHTXEWAP-MRXNPFEDSA-N 0 0 433.939 5.562 50 0 IKAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(Cl)c4C)cc32)cc1 ZINC000064990749 569083450 /nfs/dbraw/zinc/08/34/50/569083450.db2.gz HTGNDOKQPIGJLH-UHFFFAOYSA-N 0 0 449.938 5.182 50 0 IKAARN CSc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 ZINC000064990920 569083560 /nfs/dbraw/zinc/08/35/60/569083560.db2.gz ZGARLNXVIXHZDF-UHFFFAOYSA-N 0 0 431.561 5.242 50 0 IKAARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349847 569083822 /nfs/dbraw/zinc/08/38/22/569083822.db2.gz MUEDAMKPAZZCRN-UHFFFAOYSA-N 0 0 434.439 5.871 50 0 IKAARN CCc1cc(Oc2ccc(C)cc2OC)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349842 569083826 /nfs/dbraw/zinc/08/38/26/569083826.db2.gz PNYRUOHYVRMSMM-UHFFFAOYSA-N 0 0 434.483 6.459 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000036352248 569084061 /nfs/dbraw/zinc/08/40/61/569084061.db2.gz BDXPVCDDWVGIKZ-RDGATRHJSA-N 0 0 436.458 5.614 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(OC)c2)c1 ZINC000006834168 569084410 /nfs/dbraw/zinc/08/44/10/569084410.db2.gz NTBRGEKZBMAGHY-XDHUDOTRSA-N 0 0 426.582 5.629 50 0 IKAARN O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036357966 569084818 /nfs/dbraw/zinc/08/48/18/569084818.db2.gz HCBFXSGCIPXLRV-QHCPKHFHSA-N 0 0 429.495 5.306 50 0 IKAARN O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036357965 569084885 /nfs/dbraw/zinc/08/48/85/569084885.db2.gz HCBFXSGCIPXLRV-HSZRJFAPSA-N 0 0 429.495 5.306 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000064998553 569085268 /nfs/dbraw/zinc/08/52/68/569085268.db2.gz FJTYEQCGLLPSGD-MRXNPFEDSA-N 0 0 431.565 5.115 50 0 IKAARN CCN(Cc1ccccc1)C(=O)c1sc(-c2nnn(-c3ccc(C)c(C)c3)c2C)nc1C ZINC000064998593 569085388 /nfs/dbraw/zinc/08/53/88/569085388.db2.gz KIZFXQYSXWKREM-UHFFFAOYSA-N 0 0 445.592 5.287 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NC[C@H](C)c1ccccc1 ZINC000064998707 569085398 /nfs/dbraw/zinc/08/53/98/569085398.db2.gz JSSALBPOYAEVID-KRWDZBQOSA-N 0 0 445.592 5.158 50 0 IKAARN Cc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NC1CCCCCC1 ZINC000064998691 569085424 /nfs/dbraw/zinc/08/54/24/569085424.db2.gz NROMDRUFRHPNIS-UHFFFAOYSA-N 0 0 429.977 5.114 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c1 ZINC000065000241 569085938 /nfs/dbraw/zinc/08/59/38/569085938.db2.gz YNLIILUOPKMWOJ-UHFFFAOYSA-N 0 0 432.495 5.001 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1c(=O)n(-c2ccccc2)cc2c1CC(C)(C)CC2=O ZINC000065000801 569085999 /nfs/dbraw/zinc/08/59/99/569085999.db2.gz WJRMIPABTCWOIR-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccc(C)cc4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000519 569086033 /nfs/dbraw/zinc/08/60/33/569086033.db2.gz USWNELABVJQUML-UHFFFAOYSA-N 0 0 428.532 5.170 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4cc(C)cc(C)c4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000495 569086066 /nfs/dbraw/zinc/08/60/66/569086066.db2.gz GEPWRZANFGPRNT-UHFFFAOYSA-N 0 0 428.532 5.170 50 0 IKAARN Cc1ccccc1NC(=O)c1c(=O)n(-c2ccc(Cl)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000935 569086178 /nfs/dbraw/zinc/08/61/78/569086178.db2.gz VOILDOPZKRBOIZ-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl ZINC000002026823 569086269 /nfs/dbraw/zinc/08/62/69/569086269.db2.gz GMBPMJRDXIRUGA-OAQYLSRUSA-N 0 0 443.330 5.426 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c(OC)c1 ZINC000036359643 569086385 /nfs/dbraw/zinc/08/63/85/569086385.db2.gz GZVWYPCVMVCPBH-DEOSSOPVSA-N 0 0 448.563 5.137 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 ZINC000036359723 569086556 /nfs/dbraw/zinc/08/65/56/569086556.db2.gz CERRECGFLDXPIM-UHFFFAOYSA-N 0 0 446.938 5.118 50 0 IKAARN O=S(=O)(c1ccc(-c2cnc(C3CCC3)o2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000065004399 569086955 /nfs/dbraw/zinc/08/69/55/569086955.db2.gz VEPWXUILRIXHAX-UHFFFAOYSA-N 0 0 442.606 5.314 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)Nc3ccc(Br)c(C)c3)cc2c1OC ZINC000065023041 569089096 /nfs/dbraw/zinc/08/90/96/569089096.db2.gz NTBKSCRUWXMIOX-UHFFFAOYSA-N 0 0 449.326 5.411 50 0 IKAARN COc1cccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)Nc3ccccc3)C2)c1 ZINC000065026573 569089823 /nfs/dbraw/zinc/08/98/23/569089823.db2.gz ZFMYXOPKDVOUPE-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN CCCOc1c2cc(NC(=O)Nc3cc(C)ccc3OC)ccc2sc1C(=O)OC ZINC000065022983 569089890 /nfs/dbraw/zinc/08/98/90/569089890.db2.gz SUQHOIZYLUOROT-UHFFFAOYSA-N 0 0 428.510 5.438 50 0 IKAARN Cc1ccc(NC(=O)c2nc3c4ccccc4oc3c(N3CCCCCC3)n2)cc1Cl ZINC000065025066 569090354 /nfs/dbraw/zinc/09/03/54/569090354.db2.gz DMBIKVURETWITA-UHFFFAOYSA-N 0 0 434.927 5.971 50 0 IKAARN CCc1ccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCCC3)n2)cc1 ZINC000065025095 569090373 /nfs/dbraw/zinc/09/03/73/569090373.db2.gz JGYVIFMTFWLUCJ-UHFFFAOYSA-N 0 0 428.536 5.249 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025043 569090495 /nfs/dbraw/zinc/09/04/95/569090495.db2.gz XAAXPVBABOWCSS-UHFFFAOYSA-N 0 0 434.927 5.340 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1 ZINC000065025560 569090613 /nfs/dbraw/zinc/09/06/13/569090613.db2.gz ZGAAOKPXEZXXRM-UHFFFAOYSA-N 0 0 428.580 6.483 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025575 569090666 /nfs/dbraw/zinc/09/06/66/569090666.db2.gz JHHZKSLHSGFPSE-RUZDIDTESA-N 0 0 426.564 5.696 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1 ZINC000065025582 569090667 /nfs/dbraw/zinc/09/06/67/569090667.db2.gz AMKSFSIBKQJKJW-UHFFFAOYSA-N 0 0 432.593 5.540 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)c1 ZINC000065025579 569090668 /nfs/dbraw/zinc/09/06/68/569090668.db2.gz BMNFSMBVIWUYFC-GOSISDBHSA-N 0 0 430.552 5.388 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(-c2cnc(N3CCCC3)nc2)c1 ZINC000065025661 569090794 /nfs/dbraw/zinc/09/07/94/569090794.db2.gz FDIINGFIGSIKQU-UHFFFAOYSA-N 0 0 436.515 5.788 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025785 569090805 /nfs/dbraw/zinc/09/08/05/569090805.db2.gz COCPZNQHLSPRQR-VWLOTQADSA-N 0 0 426.564 5.696 50 0 IKAARN Cc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000065026443 569090979 /nfs/dbraw/zinc/09/09/79/569090979.db2.gz PHGMTZIISYVGDG-UHFFFAOYSA-N 0 0 445.563 6.677 50 0 IKAARN Cc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)NCc3ccccc3)C2)cc1 ZINC000065026448 569090982 /nfs/dbraw/zinc/09/09/82/569090982.db2.gz FXGJRGIKUYZTHG-UHFFFAOYSA-N 0 0 441.600 6.216 50 0 IKAARN O=C(Nc1cccc(Br)c1)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000065029754 569091004 /nfs/dbraw/zinc/09/10/04/569091004.db2.gz BSXBEBYDQOKOOB-UHFFFAOYSA-N 0 0 443.320 5.771 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)cc1C ZINC000065026388 569091006 /nfs/dbraw/zinc/09/10/06/569091006.db2.gz DIFPVMIUEBDISY-UHFFFAOYSA-N 0 0 441.600 6.847 50 0 IKAARN O=C(Nc1cc(F)c2nc(N3CCCCC3)ccc2c1)Nc1ccccc1Br ZINC000065029751 569091008 /nfs/dbraw/zinc/09/10/08/569091008.db2.gz QMDQRAYNXULDIE-UHFFFAOYSA-N 0 0 443.320 5.771 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)cc1 ZINC000065026392 569091014 /nfs/dbraw/zinc/09/10/14/569091014.db2.gz DVAANUUPMCBJKL-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(F)cc1)CC(SCC(=O)Nc1ccccc1)=N2 ZINC000065026496 569091035 /nfs/dbraw/zinc/09/10/35/569091035.db2.gz GTZORGIMONHPBC-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)N[C@H]1CCCc2ccccc21 ZINC000006858215 569091134 /nfs/dbraw/zinc/09/11/34/569091134.db2.gz OBPXMYOOJVBCGL-SANMLTNESA-N 0 0 426.535 5.955 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000006858271 569091164 /nfs/dbraw/zinc/09/11/64/569091164.db2.gz PWLGRIIOGLTSLC-OAQYLSRUSA-N 0 0 428.551 5.899 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(CC)cccc23)cc1 ZINC000006860516 569091472 /nfs/dbraw/zinc/09/14/72/569091472.db2.gz NKJYOCYACOVYKM-UHFFFAOYSA-N 0 0 443.572 5.989 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3cccc(Cl)c3)cc21 ZINC000065033961 569091687 /nfs/dbraw/zinc/09/16/87/569091687.db2.gz AWQZSQOPPFGHIJ-UHFFFAOYSA-N 0 0 446.890 5.359 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccc(OC)cc3OC)cc21 ZINC000065033945 569091754 /nfs/dbraw/zinc/09/17/54/569091754.db2.gz MGZLCXIYLPRCNS-UHFFFAOYSA-N 0 0 446.478 5.709 50 0 IKAARN COC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccccc3C)cc21 ZINC000065034119 569091827 /nfs/dbraw/zinc/09/18/27/569091827.db2.gz OYWYJFSVJZZYJH-UHFFFAOYSA-N 0 0 444.462 5.153 50 0 IKAARN COC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccc(C)cc3)cc21 ZINC000065034112 569091831 /nfs/dbraw/zinc/09/18/31/569091831.db2.gz BXOJXEZBQOXBDU-UHFFFAOYSA-N 0 0 444.462 5.153 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccc(OC)cc3)cc21 ZINC000065033891 569091928 /nfs/dbraw/zinc/09/19/28/569091928.db2.gz OMMLLZDUEZWMEY-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN COc1cccc2c(Nc3cccc(C(F)(F)F)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000065034456 569091974 /nfs/dbraw/zinc/09/19/74/569091974.db2.gz BPDDRXPTWPMJQH-UHFFFAOYSA-N 0 0 429.442 5.632 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc21 ZINC000065033821 569092002 /nfs/dbraw/zinc/09/20/02/569092002.db2.gz GEHXHXWDWQJLDW-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)ncn1 ZINC000065036649 569092553 /nfs/dbraw/zinc/09/25/53/569092553.db2.gz FIGCDBFWRBCCMO-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc1 ZINC000065036792 569092768 /nfs/dbraw/zinc/09/27/68/569092768.db2.gz DESLWNPXYKKUJM-UHFFFAOYSA-N 0 0 427.529 5.588 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccc(C)cc4C)c3)ncn2)cc1 ZINC000065036740 569092799 /nfs/dbraw/zinc/09/27/99/569092799.db2.gz WQQZNGSRTITTOK-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000065036789 569092803 /nfs/dbraw/zinc/09/28/03/569092803.db2.gz LUYNIIZNKJHCEI-UHFFFAOYSA-N 0 0 446.304 5.951 50 0 IKAARN Cc1ccc(C(Cl)C(=CN=Nc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000253470870 569093671 /nfs/dbraw/zinc/09/36/71/569093671.db2.gz HINHWLVSYWRIKX-JUQWFJRLSA-N 0 0 441.878 5.852 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 ZINC000169759794 569094712 /nfs/dbraw/zinc/09/47/12/569094712.db2.gz RPITYKLUPROUNL-FQEVSTJZSA-N 0 0 432.307 5.031 50 0 IKAARN O=C(CCc1nc2onc(-c3ccccc3)c2c(N2CCCCC2)n1)NC1CCCCCC1 ZINC000065056162 569094771 /nfs/dbraw/zinc/09/47/71/569094771.db2.gz BCOIFYYERDOGEL-UHFFFAOYSA-N 0 0 447.583 5.047 50 0 IKAARN CCOCCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055098 569094783 /nfs/dbraw/zinc/09/47/83/569094783.db2.gz BGQJCKUVSNOHEM-UHFFFAOYSA-N 0 0 439.531 5.611 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)cn2)cc1 ZINC000065057697 569095225 /nfs/dbraw/zinc/09/52/25/569095225.db2.gz GVROIAZFFQBQNY-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4cc(F)cc(F)c4)cc3)cn2)cc1 ZINC000065057690 569095259 /nfs/dbraw/zinc/09/52/59/569095259.db2.gz JHBHTLRTIVQZGO-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccccc4OC)cc3)cn2)cc1 ZINC000065057676 569095274 /nfs/dbraw/zinc/09/52/74/569095274.db2.gz MIYASUZIBWHIIF-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccccc4OC)cc3)cn2)c1 ZINC000065057765 569095312 /nfs/dbraw/zinc/09/53/12/569095312.db2.gz VXWABAPVDZZYIT-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc(OC)c1 ZINC000065057888 569095322 /nfs/dbraw/zinc/09/53/22/569095322.db2.gz CHQNUERTOCGZKO-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(C)cc4)cc3)cn2)cc1 ZINC000065057722 569095335 /nfs/dbraw/zinc/09/53/35/569095335.db2.gz LNBZJUPATAABFM-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1 ZINC000065057833 569095343 /nfs/dbraw/zinc/09/53/43/569095343.db2.gz QPVBKLYFSTWMIR-SFHVURJKSA-N 0 0 427.479 5.874 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)cn2)c1 ZINC000065057955 569095356 /nfs/dbraw/zinc/09/53/56/569095356.db2.gz RMHZYVUIUCLIGK-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)cn2)c1 ZINC000065057957 569095383 /nfs/dbraw/zinc/09/53/83/569095383.db2.gz FNTAGWNUPPKWQT-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1OC ZINC000065058021 569095403 /nfs/dbraw/zinc/09/54/03/569095403.db2.gz QNCFJBNMFOOBMN-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058034 569095414 /nfs/dbraw/zinc/09/54/14/569095414.db2.gz CXAMHXOPSCKBRD-SFHVURJKSA-N 0 0 427.479 5.874 50 0 IKAARN COC(=O)c1ccccc1NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000065061145 569096251 /nfs/dbraw/zinc/09/62/51/569096251.db2.gz JMBKOZDHEHNTOE-UHFFFAOYSA-N 0 0 433.895 5.013 50 0 IKAARN CCOc1ccccc1CNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000065061177 569096308 /nfs/dbraw/zinc/09/63/08/569096308.db2.gz KMSOZQBJBNWFBG-UHFFFAOYSA-N 0 0 433.939 5.302 50 0 IKAARN CCCCOc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000065061119 569096323 /nfs/dbraw/zinc/09/63/23/569096323.db2.gz YUPRZKIPZGWTKE-UHFFFAOYSA-N 0 0 445.538 5.568 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000036391333 569097276 /nfs/dbraw/zinc/09/72/76/569097276.db2.gz CPKOFJMWZLTIJF-QHCPKHFHSA-N 0 0 433.552 5.197 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1OC ZINC000065063243 569097760 /nfs/dbraw/zinc/09/77/60/569097760.db2.gz LVXWAXIJBZIQSS-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000065063207 569097771 /nfs/dbraw/zinc/09/77/71/569097771.db2.gz QLKSWUPXSFDDBZ-UHFFFAOYSA-N 0 0 427.479 6.451 50 0 IKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3)n2)cc1 ZINC000065063246 569097776 /nfs/dbraw/zinc/09/77/76/569097776.db2.gz PYBPPBHSTHJMPC-VWLOTQADSA-N 0 0 435.527 6.052 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000065063226 569097794 /nfs/dbraw/zinc/09/77/94/569097794.db2.gz TYIPDMWOYONFGP-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063200 569097804 /nfs/dbraw/zinc/09/78/04/569097804.db2.gz RXWLUUHPGYDZQS-UHFFFAOYSA-N 0 0 429.451 5.726 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)N[C@@H](C)c4ccc(C)cc4)c3)ncn2)cc1 ZINC000065063284 569097847 /nfs/dbraw/zinc/09/78/47/569097847.db2.gz JRMVJNGSWCXBHF-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000065063261 569097849 /nfs/dbraw/zinc/09/78/49/569097849.db2.gz UGIKNENNEFDQBT-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000065063251 569097881 /nfs/dbraw/zinc/09/78/81/569097881.db2.gz JUSDBQDELLLTHG-UHFFFAOYSA-N 0 0 441.556 5.896 50 0 IKAARN COc1ccc([C@H](NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c2ccccc2)cc1 ZINC000006880811 569098240 /nfs/dbraw/zinc/09/82/40/569098240.db2.gz IQTMFCORBKTZJE-AREMUKBSSA-N 0 0 425.532 5.076 50 0 IKAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000036394359 569098830 /nfs/dbraw/zinc/09/88/30/569098830.db2.gz JXPMGXPFZWQYCD-UHFFFAOYSA-N 0 0 429.520 5.372 50 0 IKAARN CCc1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000065075095 569099432 /nfs/dbraw/zinc/09/94/32/569099432.db2.gz LJFPMNVHTDLBEP-AREMUKBSSA-N 0 0 432.951 5.180 50 0 IKAARN Cc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1cccc(C(C)C)c1 ZINC000065075040 569099438 /nfs/dbraw/zinc/09/94/38/569099438.db2.gz QJEKGNRUYVZDOK-NDEPHWFRSA-N 0 0 426.560 5.396 50 0 IKAARN COc1cccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000065075270 569099540 /nfs/dbraw/zinc/09/95/40/569099540.db2.gz GZGBRUYWUGEIGW-NDEPHWFRSA-N 0 0 442.559 5.097 50 0 IKAARN COc1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cccc(C(C)C)c2)c1 ZINC000065075293 569099666 /nfs/dbraw/zinc/09/96/66/569099666.db2.gz JBXSVDHDXXRRGG-MUUNZHRXSA-N 0 0 442.559 5.097 50 0 IKAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000036398004 569100926 /nfs/dbraw/zinc/10/09/26/569100926.db2.gz GCDKFZJSJWWUST-MHZLTWQESA-N 0 0 449.558 5.075 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(Cl)c4C)csc3n2)cc1OC ZINC000065079493 569100941 /nfs/dbraw/zinc/10/09/41/569100941.db2.gz JSNMZXJZSLZTLB-UHFFFAOYSA-N 0 0 441.940 5.223 50 0 IKAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1C ZINC000036397636 569101106 /nfs/dbraw/zinc/10/11/06/569101106.db2.gz FHAZQYBRHYTXFB-QHCPKHFHSA-N 0 0 438.572 5.163 50 0 IKAARN Cc1ccc(CNC(=O)c2ncoc2-c2ccccc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000065080142 569101147 /nfs/dbraw/zinc/10/11/47/569101147.db2.gz FWGNHWPOCNQUDS-UHFFFAOYSA-N 0 0 425.488 5.141 50 0 IKAARN Cc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)cc1C ZINC000065080226 569101233 /nfs/dbraw/zinc/10/12/33/569101233.db2.gz LMAILVRIQKNVEJ-UHFFFAOYSA-N 0 0 429.451 5.602 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCCC1 ZINC000065080458 569101293 /nfs/dbraw/zinc/10/12/93/569101293.db2.gz KUZOQTPURCSDTQ-HXUWFJFHSA-N 0 0 445.563 5.109 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCCC1 ZINC000065080455 569101340 /nfs/dbraw/zinc/10/13/40/569101340.db2.gz KUZOQTPURCSDTQ-FQEVSTJZSA-N 0 0 445.563 5.109 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)sc12 ZINC000065081265 569101366 /nfs/dbraw/zinc/10/13/66/569101366.db2.gz AESYDBJAUAFYMQ-LJQANCHMSA-N 0 0 445.592 5.262 50 0 IKAARN O=C(NCCc1ccncc1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772716 569101662 /nfs/dbraw/zinc/10/16/62/569101662.db2.gz QUJPPQMJCKVNHY-VWLOTQADSA-N 0 0 445.607 5.016 50 0 IKAARN C[C@H](NC(=O)[C@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1)c1ccccc1 ZINC000065082757 569102347 /nfs/dbraw/zinc/10/23/47/569102347.db2.gz PQYSMRMZEVTLFK-OXJNMPFZSA-N 0 0 434.923 5.021 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(C)c5C)CC4)nc3)n2)cc1 ZINC000065097799 569103986 /nfs/dbraw/zinc/10/39/86/569103986.db2.gz LUYVGDGPHNGQDB-UHFFFAOYSA-N 0 0 425.536 5.050 50 0 IKAARN Cc1cccc(-c2noc(-c3ccc(N4CCN(c5cccc(Cl)c5)CC4)nc3)n2)c1 ZINC000065097876 569104089 /nfs/dbraw/zinc/10/40/89/569104089.db2.gz KWNQESOIYZNMMT-UHFFFAOYSA-N 0 0 431.927 5.087 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)c(Cl)c1 ZINC000065098084 569104467 /nfs/dbraw/zinc/10/44/67/569104467.db2.gz WMDLUJDNMMJWJI-UHFFFAOYSA-N 0 0 449.916 5.367 50 0 IKAARN Cc1nc(-c2cccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)c2)cs1 ZINC000065098153 569104471 /nfs/dbraw/zinc/10/44/71/569104471.db2.gz YZYGGRRFXYCGQE-LJQANCHMSA-N 0 0 430.533 5.306 50 0 IKAARN CCc1nc(-c2cccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)c2)cs1 ZINC000065098199 569104661 /nfs/dbraw/zinc/10/46/61/569104661.db2.gz FUZKZOWDPPYKRC-GOSISDBHSA-N 0 0 430.533 5.251 50 0 IKAARN CCc1nc(-c2cccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)c2)cs1 ZINC000065098214 569104665 /nfs/dbraw/zinc/10/46/65/569104665.db2.gz NBEVGGZZBMBJEM-UHFFFAOYSA-N 0 0 442.500 5.935 50 0 IKAARN CCc1nc(-c2cccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)c2)cs1 ZINC000065098202 569104699 /nfs/dbraw/zinc/10/46/99/569104699.db2.gz FUZKZOWDPPYKRC-SFHVURJKSA-N 0 0 430.533 5.251 50 0 IKAARN O=C1C[C@H](c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)CN1c1ccccc1 ZINC000065098252 569104719 /nfs/dbraw/zinc/10/47/19/569104719.db2.gz ZOWHSXGXXVJPJK-SFHVURJKSA-N 0 0 428.517 5.258 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]CCc1ccccc1C ZINC000006901249 569105703 /nfs/dbraw/zinc/10/57/03/569105703.db2.gz WJLXZEJXJIJGND-UHFFFAOYSA-N 0 0 426.560 5.645 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000065102692 569106126 /nfs/dbraw/zinc/10/61/26/569106126.db2.gz MGJKEERHEZYDJR-UHFFFAOYSA-N 0 0 438.984 5.445 50 0 IKAARN CCc1ccc(NC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)cc1 ZINC000065102442 569106158 /nfs/dbraw/zinc/10/61/58/569106158.db2.gz YXDFIRDEIDBPDZ-UHFFFAOYSA-N 0 0 432.593 5.354 50 0 IKAARN CCOc1ccccc1NC(=O)C1CCN(c2nccnc2Sc2ccc(C)cc2)CC1 ZINC000065102517 569106167 /nfs/dbraw/zinc/10/61/67/569106167.db2.gz MIAYSQVVEHIPPE-UHFFFAOYSA-N 0 0 448.592 5.190 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000065110987 569106214 /nfs/dbraw/zinc/10/62/14/569106214.db2.gz YEUATMWIHLGWPF-UHFFFAOYSA-N 0 0 433.455 5.005 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000065110960 569106232 /nfs/dbraw/zinc/10/62/32/569106232.db2.gz JPCMKSLELLSRHL-UHFFFAOYSA-N 0 0 444.354 5.379 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000065110986 569106252 /nfs/dbraw/zinc/10/62/52/569106252.db2.gz QDCDOVVBGNNRFU-UHFFFAOYSA-N 0 0 433.455 5.005 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nccnc1Oc1ccccc1C ZINC000065111185 569106290 /nfs/dbraw/zinc/10/62/90/569106290.db2.gz AOHRBPVTEZHOMG-UHFFFAOYSA-N 0 0 429.929 5.279 50 0 IKAARN Cc1ccccc1Oc1nccnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000065111204 569106335 /nfs/dbraw/zinc/10/63/35/569106335.db2.gz DIAFAJIZYYXYHW-UHFFFAOYSA-N 0 0 430.327 5.071 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000065114353 569106493 /nfs/dbraw/zinc/10/64/93/569106493.db2.gz YYGCZWUMEHSBNY-UHFFFAOYSA-N 0 0 434.849 5.590 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(Br)cc2)n1 ZINC000065114517 569106545 /nfs/dbraw/zinc/10/65/45/569106545.db2.gz ZREFZEWWKDLSDM-HNNXBMFYSA-N 0 0 439.357 5.459 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(NC(C)=O)cc1 ZINC000065114502 569106566 /nfs/dbraw/zinc/10/65/66/569106566.db2.gz CWJMOYASVSWCEQ-HXUWFJFHSA-N 0 0 431.540 5.045 50 0 IKAARN COc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccccc1 ZINC000065115509 569106906 /nfs/dbraw/zinc/10/69/06/569106906.db2.gz QPHDRASFXVXGDT-UHFFFAOYSA-N 0 0 434.517 5.054 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000065111956 569107919 /nfs/dbraw/zinc/10/79/19/569107919.db2.gz RGMCEEWYPADMKO-UHFFFAOYSA-N 0 0 445.972 5.082 50 0 IKAARN C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1)c1ccccc1 ZINC000169793372 569108193 /nfs/dbraw/zinc/10/81/93/569108193.db2.gz OYYHRMLMOQQSLS-BYXVTNLJSA-N 0 0 441.575 5.227 50 0 IKAARN C[C@H]1CCCCN1c1cc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)ncn1 ZINC000065133467 569109916 /nfs/dbraw/zinc/10/99/16/569109916.db2.gz VZDKIDANACGJBN-SFHVURJKSA-N 0 0 434.565 5.379 50 0 IKAARN Cc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c(Cl)c1 ZINC000065134039 569110066 /nfs/dbraw/zinc/11/00/66/569110066.db2.gz GQRPIGIRFYJRMX-UHFFFAOYSA-N 0 0 435.833 5.450 50 0 IKAARN C[C@H]1CCCCN1c1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1 ZINC000065133571 569110077 /nfs/dbraw/zinc/11/00/77/569110077.db2.gz YLQQLKCYPHTRSY-LBPRGKRZSA-N 0 0 444.910 5.258 50 0 IKAARN COc1ccc(C2=NN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000006924896 569110157 /nfs/dbraw/zinc/11/01/57/569110157.db2.gz ZDEIXRQAVUZUTB-QFIPXVFZSA-N 0 0 431.750 7.011 50 0 IKAARN Cc1cc(SCC(=O)NCCCc2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134173 569110188 /nfs/dbraw/zinc/11/01/88/569110188.db2.gz JIWQBBLMTMTISF-UHFFFAOYSA-N 0 0 445.510 5.312 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)cc3Cl)C2)c1 ZINC000065136539 569110306 /nfs/dbraw/zinc/11/03/06/569110306.db2.gz LSJXTFFOKLIGHH-QGZVFWFLSA-N 0 0 431.939 5.128 50 0 IKAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NCc1ccccc1Cl ZINC000065136917 569110357 /nfs/dbraw/zinc/11/03/57/569110357.db2.gz HEHZLWWCDWAHJK-INIZCTEOSA-N 0 0 434.367 5.334 50 0 IKAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NCc1cccc(Cl)c1 ZINC000065136916 569110365 /nfs/dbraw/zinc/11/03/65/569110365.db2.gz BXJDJWKGIVZXIW-MRXNPFEDSA-N 0 0 434.367 5.334 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000036442627 569110717 /nfs/dbraw/zinc/11/07/17/569110717.db2.gz ZKCISRBICYOKTK-XMMPIXPASA-N 0 0 448.617 5.198 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2ccc3oc(-c4ccccc4)nc3c2)no1 ZINC000065149815 569110968 /nfs/dbraw/zinc/11/09/68/569110968.db2.gz ZRVNKBAXCPIVIC-UHFFFAOYSA-N 0 0 444.878 5.057 50 0 IKAARN CSc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)[C@@H](O)CC(C)(C)O4)cc1 ZINC000006940658 569111344 /nfs/dbraw/zinc/11/13/44/569111344.db2.gz VFBWIFHGCTVYCT-KRWDZBQOSA-N 0 0 425.550 5.030 50 0 IKAARN COc1ccc(-c2ncc(C(=O)Nc3ccc(OC)c(Cl)c3)c(-c3ccncc3)n2)cc1 ZINC000065153927 569112231 /nfs/dbraw/zinc/11/22/31/569112231.db2.gz HOQSLTLTNAIMMN-UHFFFAOYSA-N 0 0 446.894 5.129 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168879 569112699 /nfs/dbraw/zinc/11/26/99/569112699.db2.gz DPDRKDSFMZWLHF-UHFFFAOYSA-N 0 0 443.732 5.150 50 0 IKAARN CCCn1c(-c2cccc(C(=O)Nc3ccc(Br)c(C)c3)c2)nc2cccnc21 ZINC000065172776 569113220 /nfs/dbraw/zinc/11/32/20/569113220.db2.gz LNMVMMAWXSOIPC-UHFFFAOYSA-N 0 0 449.352 5.832 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Cn1c(C)cc(-c2nnc(-c3cccs3)o2)c1C ZINC000065194829 569114877 /nfs/dbraw/zinc/11/48/77/569114877.db2.gz MEURTRNBILTRNV-UHFFFAOYSA-N 0 0 442.928 5.184 50 0 IKAARN O=C(Nc1ccsc1-c1nc(-c2cccc(F)c2)no1)c1cccc(Br)c1 ZINC000065219379 569117147 /nfs/dbraw/zinc/11/71/47/569117147.db2.gz CLXCZOPZNVUXOO-UHFFFAOYSA-N 0 0 444.285 5.619 50 0 IKAARN O=C(Nc1ccsc1-c1nc(-c2ccccc2)no1)c1cccc(Br)c1 ZINC000065218857 569117385 /nfs/dbraw/zinc/11/73/85/569117385.db2.gz IDBKRDJOMMXCRH-UHFFFAOYSA-N 0 0 426.295 5.480 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4ccc(OC)cc4)cc(C(F)F)c3c2N)cc1 ZINC000036559182 569117672 /nfs/dbraw/zinc/11/76/72/569117672.db2.gz CGAWVZWYMQDIFS-UHFFFAOYSA-N 0 0 440.471 5.731 50 0 IKAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](OC(=O)c5ccccc5)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253497467 569119932 /nfs/dbraw/zinc/11/99/32/569119932.db2.gz MCVIVMYFDOKJSH-GGDFWIAUSA-N 0 0 438.608 6.186 50 0 IKAARN CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000253498416 569120902 /nfs/dbraw/zinc/12/09/02/569120902.db2.gz CCORPVHYPHHRKB-XXJXAVLGSA-N 0 0 442.728 8.350 50 0 biogenic IKAARN C[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000036596525 569121341 /nfs/dbraw/zinc/12/13/41/569121341.db2.gz MTZKOBDCISCBKC-JPYJTQIMSA-N 0 0 443.503 5.084 50 0 IKAARN COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000036615350 569122490 /nfs/dbraw/zinc/12/24/90/569122490.db2.gz CNZXXUPPCGSPBT-UHFFFAOYSA-N 0 0 435.430 5.353 50 0 IKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1cccc(-c2ccno2)c1 ZINC000036616002 569122617 /nfs/dbraw/zinc/12/26/17/569122617.db2.gz YATFLAFMWCSPIM-UHFFFAOYSA-N 0 0 437.503 5.642 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3)c12 ZINC000036615789 569122669 /nfs/dbraw/zinc/12/26/69/569122669.db2.gz JHXNNKKHCRBGJV-UHFFFAOYSA-N 0 0 447.336 5.621 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000036615865 569122677 /nfs/dbraw/zinc/12/26/77/569122677.db2.gz SUUIYVDHVLLGTO-INIZCTEOSA-N 0 0 426.520 5.106 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(-c4ccno4)c3)c12 ZINC000036616997 569123009 /nfs/dbraw/zinc/12/30/09/569123009.db2.gz AQSZFOIVHYRCDL-UHFFFAOYSA-N 0 0 435.487 5.514 50 0 IKAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000036616965 569123012 /nfs/dbraw/zinc/12/30/12/569123012.db2.gz TZFVKWHVFBYXGC-UHFFFAOYSA-N 0 0 444.510 5.580 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(Br)cc3F)c12 ZINC000036611701 569123580 /nfs/dbraw/zinc/12/35/80/569123580.db2.gz NCBGHAUAWJYVAA-UHFFFAOYSA-N 0 0 439.288 5.191 50 0 IKAARN Cc1nn(C)cc1-c1nn(Cc2ccc(Cl)c(Cl)c2)c(-c2cn(C)nc2C)c1Cl ZINC000036611551 569123651 /nfs/dbraw/zinc/12/36/51/569123651.db2.gz CIVCTTPNHSYNSR-UHFFFAOYSA-N 0 0 449.773 5.309 50 0 IKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000036613281 569123708 /nfs/dbraw/zinc/12/37/08/569123708.db2.gz OIWIHZVAMLOJPU-IBGZPJMESA-N 0 0 426.564 5.843 50 0 IKAARN CCCCn1nc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)cc1C ZINC000036613292 569123754 /nfs/dbraw/zinc/12/37/54/569123754.db2.gz HOXLKHRMCGFEEC-UHFFFAOYSA-N 0 0 430.556 5.292 50 0 IKAARN CCOc1ccccc1/C=C/C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC000036614275 569124137 /nfs/dbraw/zinc/12/41/37/569124137.db2.gz QOHAWBDSPUGWFX-NTEUORMPSA-N 0 0 441.453 5.819 50 0 IKAARN Cc1cc(C)nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c32)n1 ZINC000036618328 569124254 /nfs/dbraw/zinc/12/42/54/569124254.db2.gz RHQBBFPMCBXEQK-UHFFFAOYSA-N 0 0 439.450 5.355 50 0 IKAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000065258528 569124462 /nfs/dbraw/zinc/12/44/62/569124462.db2.gz AHXFIZRAHCBTNF-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN COc1ccccc1CCC(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000065258592 569124530 /nfs/dbraw/zinc/12/45/30/569124530.db2.gz DEIRVJINFOTAAV-UHFFFAOYSA-N 0 0 447.560 5.181 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)nc1C ZINC000013129250 569125226 /nfs/dbraw/zinc/12/52/26/569125226.db2.gz UBYHRYOBJGUVPN-UHFFFAOYSA-N 0 0 447.516 5.104 50 0 IKAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2)c1ccccc1 ZINC000013129130 569125258 /nfs/dbraw/zinc/12/52/58/569125258.db2.gz RHQJTLDEHCWAGX-SFHVURJKSA-N 0 0 430.548 5.206 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)n1CCc1ccc(F)cc1 ZINC000013128930 569125283 /nfs/dbraw/zinc/12/52/83/569125283.db2.gz MAEWRQIWVXGMSO-UHFFFAOYSA-N 0 0 439.552 5.467 50 0 IKAARN CCOc1ccc(OCc2ccc(-c3nnc(-c4cc(F)c(F)cc4Cl)o3)cc2)cc1 ZINC000013129838 569125345 /nfs/dbraw/zinc/12/53/45/569125345.db2.gz PETSYUXIPVPMAT-UHFFFAOYSA-N 0 0 442.849 6.313 50 0 IKAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000013129894 569125356 /nfs/dbraw/zinc/12/53/56/569125356.db2.gz IZCYZPJDHSRTCB-FQEVSTJZSA-N 0 0 434.001 5.232 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 ZINC000013133787 569125497 /nfs/dbraw/zinc/12/54/97/569125497.db2.gz DFCSGITUCYYBDN-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)CC1 ZINC000013134066 569125511 /nfs/dbraw/zinc/12/55/11/569125511.db2.gz YQUWXBYVNKONEQ-UHFFFAOYSA-N 0 0 446.016 5.203 50 0 IKAARN Cc1cc(OCCSc2nnc(-c3ccccc3Br)n2N)ccc1C(C)C ZINC000013133996 569125516 /nfs/dbraw/zinc/12/55/16/569125516.db2.gz QBULGKDGPRXPFJ-UHFFFAOYSA-N 0 0 447.402 5.024 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000013133992 569125572 /nfs/dbraw/zinc/12/55/72/569125572.db2.gz VFHZSRYYAXSBBG-UHFFFAOYSA-N 0 0 437.927 6.010 50 0 IKAARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c[nH]c4ccccc43)c2C1 ZINC000013134655 569125688 /nfs/dbraw/zinc/12/56/88/569125688.db2.gz XABMHDGTEBQAOG-QGZVFWFLSA-N 0 0 440.543 5.907 50 0 IKAARN O=C(CSCCCn1c(=O)[nH]c2ccccc21)Nc1ccccc1Sc1ccccc1 ZINC000013134747 569125696 /nfs/dbraw/zinc/12/56/96/569125696.db2.gz LIRVCPPRVFKECK-UHFFFAOYSA-N 0 0 449.601 5.243 50 0 IKAARN COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000007059994 569128038 /nfs/dbraw/zinc/12/80/38/569128038.db2.gz XTGXWOPQPIPISG-JUYOQADGSA-N 0 0 444.575 5.598 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCCC2)cc1 ZINC000007063303 569130271 /nfs/dbraw/zinc/13/02/71/569130271.db2.gz XPDJIMNFWFFXKM-SANMLTNESA-N 0 0 427.548 5.012 50 0 IKAARN Cc1c(C(=O)N(Cc2cccnc2)c2nc3c(cccc3F)s2)cnn1-c1ccccc1 ZINC000036676159 569132391 /nfs/dbraw/zinc/13/23/91/569132391.db2.gz XRGWOROHGLMZID-UHFFFAOYSA-N 0 0 443.507 5.172 50 0 IKAARN FC(F)(F)c1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000170024622 569132721 /nfs/dbraw/zinc/13/27/21/569132721.db2.gz SJXQNJAHQQCYAV-UHFFFAOYSA-N 0 0 444.254 6.822 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2nc(N(C)C)n(-c3ccc(F)cc3)c2s1 ZINC000065306721 569133431 /nfs/dbraw/zinc/13/34/31/569133431.db2.gz VTRQILMFEVGLIM-MRXNPFEDSA-N 0 0 436.556 5.043 50 0 IKAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3ccc(F)cc3F)n2)cc1 ZINC000065315591 569134154 /nfs/dbraw/zinc/13/41/54/569134154.db2.gz LPUBUUFBPNXHRR-UHFFFAOYSA-N 0 0 438.459 5.116 50 0 IKAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3cc(F)ccc3F)n2)cc1 ZINC000065315592 569134189 /nfs/dbraw/zinc/13/41/89/569134189.db2.gz PPEZYRZISGPTKM-UHFFFAOYSA-N 0 0 438.459 5.116 50 0 IKAARN O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)C(c1ccccc1)c1ccccc1 ZINC000036705516 569134355 /nfs/dbraw/zinc/13/43/55/569134355.db2.gz KFGIUOSJUISBSW-UHFFFAOYSA-N 0 0 446.514 5.177 50 0 IKAARN COc1cc(NC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc(OC)c1OC ZINC000036705409 569134379 /nfs/dbraw/zinc/13/43/79/569134379.db2.gz ADIXXTAFVGDISC-UHFFFAOYSA-N 0 0 449.463 5.023 50 0 IKAARN O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)C(c1ccccc1)c1ccccc1 ZINC000036705846 569134599 /nfs/dbraw/zinc/13/45/99/569134599.db2.gz RZDBSXCTSNEAQF-UHFFFAOYSA-N 0 0 446.514 5.177 50 0 IKAARN CCOc1ccc(-c2nc3sc4cc(C)ccc4n3c2NCCCOC)cc1OC ZINC000065319306 569134815 /nfs/dbraw/zinc/13/48/15/569134815.db2.gz QSGZCEFJKGDWRI-UHFFFAOYSA-N 0 0 425.554 5.380 50 0 IKAARN COc1ccc2c(c1)sc1nc(-c3cc(OC)c(OC)c(OC)c3)c(NC(C)(C)C)n21 ZINC000065319351 569134882 /nfs/dbraw/zinc/13/48/82/569134882.db2.gz VEHZVAOMPKYAPM-UHFFFAOYSA-N 0 0 441.553 5.461 50 0 IKAARN COCCCNc1c(-c2ccc(OC)c(OC)c2)nc2sc3cc(Cl)ccc3n21 ZINC000065319403 569134908 /nfs/dbraw/zinc/13/49/08/569134908.db2.gz YYAKVCONIMGNCZ-UHFFFAOYSA-N 0 0 431.945 5.335 50 0 IKAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(OC(C)C)cc3)c(NCCOC)n21 ZINC000065319382 569134936 /nfs/dbraw/zinc/13/49/36/569134936.db2.gz GFIRNUXJYQIBRJ-UHFFFAOYSA-N 0 0 425.554 5.460 50 0 IKAARN O=C(NCc1ccc(F)cc1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000036709657 569135821 /nfs/dbraw/zinc/13/58/21/569135821.db2.gz HDCJLSROUJHGRK-UHFFFAOYSA-N 0 0 431.389 5.419 50 0 IKAARN COc1cccc(NC(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c1OC ZINC000036709066 569136141 /nfs/dbraw/zinc/13/61/41/569136141.db2.gz JFIVRWIUICYAMC-UHFFFAOYSA-N 0 0 432.552 5.289 50 0 IKAARN O=C(Nc1ccc(F)cc1)Nc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000065320920 569136323 /nfs/dbraw/zinc/13/63/23/569136323.db2.gz KPCKJWXFFXOZPK-UHFFFAOYSA-N 0 0 442.494 5.522 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)c1C ZINC000065320908 569136332 /nfs/dbraw/zinc/13/63/32/569136332.db2.gz LFNNTGLUCDCPLE-LJQANCHMSA-N 0 0 445.972 5.149 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)c1C ZINC000065320909 569136350 /nfs/dbraw/zinc/13/63/50/569136350.db2.gz LFNNTGLUCDCPLE-IBGZPJMESA-N 0 0 445.972 5.149 50 0 IKAARN CN(C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(c1ccccc1)c1ccccc1 ZINC000036714069 569136577 /nfs/dbraw/zinc/13/65/77/569136577.db2.gz WCODXRNRFUYFSS-UHFFFAOYSA-N 0 0 446.978 5.440 50 0 IKAARN CCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000065322361 569136626 /nfs/dbraw/zinc/13/66/26/569136626.db2.gz CZDSXDSPOHKEPH-UHFFFAOYSA-N 0 0 434.584 5.148 50 0 IKAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000065322234 569136647 /nfs/dbraw/zinc/13/66/47/569136647.db2.gz LXELBNQGIGZWKS-UHFFFAOYSA-N 0 0 440.975 5.103 50 0 IKAARN CCOC(=O)c1ccc(Nc2c(-c3cccc(Br)c3)nc3cnccn32)cc1 ZINC000065322738 569136769 /nfs/dbraw/zinc/13/67/69/569136769.db2.gz HMKHBHNYKKHOQB-UHFFFAOYSA-N 0 0 437.297 5.079 50 0 IKAARN O=C(c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1)N1CCCCC1 ZINC000065322661 569136813 /nfs/dbraw/zinc/13/68/13/569136813.db2.gz DYHIADLJGDCSLK-UHFFFAOYSA-N 0 0 431.927 5.419 50 0 IKAARN O=C(NC1CCCCC1)c1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)cc1 ZINC000065322578 569136833 /nfs/dbraw/zinc/13/68/33/569136833.db2.gz RICLXDKERQCFFX-UHFFFAOYSA-N 0 0 445.954 5.856 50 0 IKAARN O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000036717969 569136901 /nfs/dbraw/zinc/13/69/01/569136901.db2.gz ZCOMRNVASVSAOW-UHFFFAOYSA-N 0 0 444.383 6.735 50 0 IKAARN COc1ccc2cc3cc(C(=O)N4CCCC[C@@H]4c4cccnc4)sc3nc2c1Cl ZINC000065330797 569137051 /nfs/dbraw/zinc/13/70/51/569137051.db2.gz QUAWLHXGXRBBKJ-QGZVFWFLSA-N 0 0 437.952 5.874 50 0 IKAARN O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[nH]1 ZINC000065330910 569137111 /nfs/dbraw/zinc/13/71/11/569137111.db2.gz YRSJLBJSOROENA-UHFFFAOYSA-N 0 0 448.401 5.349 50 0 IKAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)C1c2ccccc2Oc2ccccc21 ZINC000238834185 569137312 /nfs/dbraw/zinc/13/73/12/569137312.db2.gz GMOGUMPRVQVVCA-DEOSSOPVSA-N 0 0 433.554 5.100 50 0 IKAARN COc1cccc(-c2ccc(C(=O)N3CCC(Oc4cccc5cccnc54)CC3)cc2)c1 ZINC000238925147 569137877 /nfs/dbraw/zinc/13/78/77/569137877.db2.gz UOSNPWSPSSCGQZ-UHFFFAOYSA-N 0 0 438.527 5.594 50 0 IKAARN CC(C)n1nc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2c1=O ZINC000036798716 569138012 /nfs/dbraw/zinc/13/80/12/569138012.db2.gz OFEIMYHDFLNBDV-UHFFFAOYSA-N 0 0 443.347 5.267 50 0 IKAARN CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253612120 569138547 /nfs/dbraw/zinc/13/85/47/569138547.db2.gz NIJKPJNXBCARQP-XDFXEABYSA-N 0 0 427.717 7.533 50 0 IKAARN CCCC1CCC(c2ccc(-c3nnc(-c4ccccc4Br)s3)cc2)CC1 ZINC000003012079 569139030 /nfs/dbraw/zinc/13/90/30/569139030.db2.gz RDERTAZVIRVDOU-UHFFFAOYSA-N 0 0 441.438 7.709 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1I)c1ccc(Cl)s1 ZINC000065565095 569139227 /nfs/dbraw/zinc/13/92/27/569139227.db2.gz JGABQTYZPNFEBV-UHFFFAOYSA-N 0 0 431.604 5.277 50 0 IKAARN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 ZINC000065564802 569139284 /nfs/dbraw/zinc/13/92/84/569139284.db2.gz BNEWFICJRQTWNC-CYBMUJFWSA-N 0 0 434.483 5.506 50 0 IKAARN CN(C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000065565103 569139382 /nfs/dbraw/zinc/13/93/82/569139382.db2.gz FVENYPAMSFMMQC-QFIPXVFZSA-N 0 0 439.874 5.063 50 0 IKAARN CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000065553716 569139737 /nfs/dbraw/zinc/13/97/37/569139737.db2.gz YVIAXHKRPGPLDV-UHFFFAOYSA-N 0 0 443.425 5.043 50 0 IKAARN C[C@@H](Nc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000065577404 569139786 /nfs/dbraw/zinc/13/97/86/569139786.db2.gz KYSCZITWDIWJOI-WZONZLPQSA-N 0 0 431.561 5.014 50 0 IKAARN C[C@H](Nc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000065577401 569139823 /nfs/dbraw/zinc/13/98/23/569139823.db2.gz KYSCZITWDIWJOI-FDDCHVKYSA-N 0 0 431.561 5.014 50 0 IKAARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc2[nH]ccc21 ZINC000065624130 569140398 /nfs/dbraw/zinc/14/03/98/569140398.db2.gz RNUTWEACABRYGN-UHFFFAOYSA-N 0 0 438.281 5.052 50 0 IKAARN O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC(n2cc(Cl)cn2)CC1 ZINC000170593408 569141196 /nfs/dbraw/zinc/14/11/96/569141196.db2.gz CCFDHEOSFABNOZ-UHFFFAOYSA-N 0 0 436.918 5.156 50 0 IKAARN FC(F)(F)c1cccc([C@H](NCc2ccc(Cl)cc2Br)c2nc[nH]n2)c1 ZINC000170594064 569141315 /nfs/dbraw/zinc/14/13/15/569141315.db2.gz GDHARFBQAGXSKF-HNNXBMFYSA-N 0 0 445.670 5.119 50 0 IKAARN CCCCCCOc1ccc(CN[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)cc1 ZINC000170594067 569141396 /nfs/dbraw/zinc/14/13/96/569141396.db2.gz LOQZCIXDNYJZAR-OAQYLSRUSA-N 0 0 432.490 5.662 50 0 IKAARN CC(=O)N(c1nc(Cn2c(=O)scc2-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000170605445 569143757 /nfs/dbraw/zinc/14/37/57/569143757.db2.gz CTOKYBSBUUXXEF-UHFFFAOYSA-N 0 0 441.965 5.420 50 0 IKAARN O=C(NCCc1ccccc1)[C@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)Nc2ccccc2)C1 ZINC000037278043 569145398 /nfs/dbraw/zinc/14/53/98/569145398.db2.gz UCSGVOGXABHDAF-DHLKQENFSA-N 0 0 445.538 5.170 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2Cl)CC(=O)N1Cc1cccc(F)c1F ZINC000037280114 569145755 /nfs/dbraw/zinc/14/57/55/569145755.db2.gz ORXXEXXNMCZDBR-GOSISDBHSA-N 0 0 447.909 5.608 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2Cl)CC(=O)N1Cc1ccc(F)c(F)c1 ZINC000037280192 569145768 /nfs/dbraw/zinc/14/57/68/569145768.db2.gz KQBZGNLDSAACHN-GOSISDBHSA-N 0 0 447.909 5.608 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2Cl)CC(=O)N1Cc1ccc(F)c(F)c1 ZINC000037280190 569145810 /nfs/dbraw/zinc/14/58/10/569145810.db2.gz KQBZGNLDSAACHN-SFHVURJKSA-N 0 0 447.909 5.608 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)NCCc1ccccn1 ZINC000037285051 569145895 /nfs/dbraw/zinc/14/58/95/569145895.db2.gz XAMIGKJSBRZZET-LJQANCHMSA-N 0 0 438.358 5.751 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@H]1C ZINC000037285034 569145948 /nfs/dbraw/zinc/14/59/48/569145948.db2.gz ZJNBQTSFRAVMSQ-GOSISDBHSA-N 0 0 449.530 5.021 50 0 IKAARN O=C(Nc1ccccc1N1CCC(O)CC1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000170613538 569146279 /nfs/dbraw/zinc/14/62/79/569146279.db2.gz ZTFLEPGTSNEUKD-UHFFFAOYSA-N 0 0 447.482 5.042 50 0 IKAARN COc1cc(OC)cc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000170615623 569146471 /nfs/dbraw/zinc/14/64/71/569146471.db2.gz XARPONNRBOGLNM-HSZRJFAPSA-N 0 0 438.886 5.488 50 0 IKAARN COc1cccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)c3cccc(F)c3)c(Cl)nc21 ZINC000170615679 569146499 /nfs/dbraw/zinc/14/64/99/569146499.db2.gz RHSUNEPPRWWHRV-IBGZPJMESA-N 0 0 449.869 5.620 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3cc(C)ccc3c2-c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000170620060 569147499 /nfs/dbraw/zinc/14/74/99/569147499.db2.gz QUZYNFWWWOMOLZ-DEOSSOPVSA-N 0 0 439.490 5.753 50 0 IKAARN Cn1ccnc1-c1cccc(NC(=O)NC2(c3cccc(Br)c3)CCC2)c1 ZINC000170621708 569147737 /nfs/dbraw/zinc/14/77/37/569147737.db2.gz DGGDAISUGZTGIK-UHFFFAOYSA-N 0 0 425.330 5.051 50 0 IKAARN CC(C)(C)c1cc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)n(C(C)(C)C)n1 ZINC000170625307 569148365 /nfs/dbraw/zinc/14/83/65/569148365.db2.gz SVPHEXIVVXGFML-MRXNPFEDSA-N 0 0 425.602 5.914 50 0 IKAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000037341437 569149035 /nfs/dbraw/zinc/14/90/35/569149035.db2.gz FHTLEAXCLVZMMQ-PERKRYKHSA-N 0 0 429.919 5.117 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000009869323 569149366 /nfs/dbraw/zinc/14/93/66/569149366.db2.gz PKNHXIBVEPEGKF-NRFANRHFSA-N 0 0 444.560 5.155 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2F)o1)c1cc2ccccc2o1 ZINC000009870492 569149396 /nfs/dbraw/zinc/14/93/96/569149396.db2.gz DTHSDOZFCCBIAI-ZIAGYGMSSA-N 0 0 441.484 5.064 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc([C@H](C)Oc2ccccc2F)o1)c1cc2ccccc2o1 ZINC000009870513 569149449 /nfs/dbraw/zinc/14/94/49/569149449.db2.gz DTHSDOZFCCBIAI-KGLIPLIRSA-N 0 0 441.484 5.064 50 0 IKAARN COc1ccc(CCN(CC(F)(F)F)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000071195118 569149508 /nfs/dbraw/zinc/14/95/08/569149508.db2.gz GAPQGQYPYCLDQH-UHFFFAOYSA-N 0 0 449.494 5.158 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000009882237 569149593 /nfs/dbraw/zinc/14/95/93/569149593.db2.gz YCLBBKQUWDGSGX-UHFFFAOYSA-N 0 0 433.573 5.427 50 0 IKAARN Cc1cc(C)cc(OCCCSCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 ZINC000009882404 569149633 /nfs/dbraw/zinc/14/96/33/569149633.db2.gz MTLJULMEPSJTEF-UHFFFAOYSA-N 0 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CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000010058996 569152093 /nfs/dbraw/zinc/15/20/93/569152093.db2.gz DDKOBMRJHOZXOI-YADARESESA-N 0 0 446.616 6.907 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000010058994 569152100 /nfs/dbraw/zinc/15/21/00/569152100.db2.gz DDKOBMRJHOZXOI-CYFREDJKSA-N 0 0 446.616 6.907 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 ZINC000010059192 569152200 /nfs/dbraw/zinc/15/22/00/569152200.db2.gz HYEPGYHGSIXKRQ-JOCHJYFZSA-N 0 0 446.355 5.371 50 0 IKAARN CCCc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000010059202 569152213 /nfs/dbraw/zinc/15/22/13/569152213.db2.gz FOXJRIRBACJFRZ-HHHXNRCGSA-N 0 0 447.962 5.342 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000010059362 569152226 /nfs/dbraw/zinc/15/22/26/569152226.db2.gz RNBKZGDEDFSTIK-LRTDBIEQSA-N 0 0 440.996 7.241 50 0 IKAARN 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Brc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000013305671 569154956 /nfs/dbraw/zinc/15/49/56/569154956.db2.gz SRNHLDUYSWBCKZ-UHFFFAOYSA-N 0 0 449.398 7.257 50 0 IKAARN Cc1cccc(-c2nc(CSc3nnc(-c4ccc(Br)o4)n3C)cs2)c1 ZINC000013323959 569155073 /nfs/dbraw/zinc/15/50/73/569155073.db2.gz HERGJDPRLXLBPF-UHFFFAOYSA-N 0 0 447.383 5.562 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2ccccc2Cl)CC1 ZINC000013320549 569155082 /nfs/dbraw/zinc/15/50/82/569155082.db2.gz LJCUMQRUMXKHLY-UHFFFAOYSA-N 0 0 432.273 5.362 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)Nc1nn(Cc2ccccc2Cl)cc1Cl ZINC000013330770 569155105 /nfs/dbraw/zinc/15/51/05/569155105.db2.gz YWNRYPYDOKZJFB-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Br)cc3)n2)cc1Cl ZINC000013330814 569155129 /nfs/dbraw/zinc/15/51/29/569155129.db2.gz CPGNHTNYXNXZKF-UHFFFAOYSA-N 0 0 435.778 5.465 50 0 IKAARN CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325437 569155151 /nfs/dbraw/zinc/15/51/51/569155151.db2.gz VZCDFHMQIZWCID-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/15/52/45/569155245.db2.gz NOHDAVQNAZCXBP-UHFFFAOYSA-N 0 0 433.737 5.608 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1Cl ZINC000013331399 569155269 /nfs/dbraw/zinc/15/52/69/569155269.db2.gz ZCABXKUDPNUUNL-UHFFFAOYSA-N 0 0 428.920 5.171 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)c1ccc(-c2ccccc2)cc1 ZINC000013575227 569155751 /nfs/dbraw/zinc/15/57/51/569155751.db2.gz NCEGZIVVTHVGNT-UHFFFAOYSA-N 0 0 435.523 6.210 50 0 IKAARN Cc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000013576658 569155929 /nfs/dbraw/zinc/15/59/29/569155929.db2.gz OQBMEFXHPBRYEH-NRFANRHFSA-N 0 0 431.517 5.063 50 0 IKAARN Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C2=O)cc1 ZINC000013578825 569156056 /nfs/dbraw/zinc/15/60/56/569156056.db2.gz HIZKJFUWXOWYIG-NRFANRHFSA-N 0 0 447.585 5.228 50 0 IKAARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCc1ccccc1 ZINC000013603083 569156268 /nfs/dbraw/zinc/15/62/68/569156268.db2.gz SQAPXVMKDQPEKE-HMAPJEAMSA-N 0 0 432.907 5.734 50 0 IKAARN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000013603119 569156288 /nfs/dbraw/zinc/15/62/88/569156288.db2.gz ATJQBJZBLFLCNC-UCQKPKSFSA-N 0 0 447.332 5.834 50 0 IKAARN CCCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000013644006 569156381 /nfs/dbraw/zinc/15/63/81/569156381.db2.gz YUAUSJVDGWPYIP-RQZHXJHFSA-N 0 0 445.588 6.793 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000013745412 569156910 /nfs/dbraw/zinc/15/69/10/569156910.db2.gz PYCRERVDZMFDKY-UHFFFAOYSA-N 0 0 443.172 5.106 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013930750 569157415 /nfs/dbraw/zinc/15/74/15/569157415.db2.gz DKDYIJSFMIVGRT-BKUYFWCQSA-N 0 0 434.278 6.751 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)N(Cc3ccccc3)c3ccccn3)cs2)cc1 ZINC000014119372 569157835 /nfs/dbraw/zinc/15/78/35/569157835.db2.gz AELFNHWZMPQNTJ-UHFFFAOYSA-N 0 0 429.545 5.201 50 0 IKAARN CCOc1ccccc1NC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000014609930 569159473 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Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000089638804 569160285 /nfs/dbraw/zinc/16/02/85/569160285.db2.gz GGYDSVCFHDQDQP-JOCHJYFZSA-N 0 0 445.371 5.842 50 0 IKAARN Cc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1C ZINC000089643228 569160393 /nfs/dbraw/zinc/16/03/93/569160393.db2.gz CFBRZYKWLDTPQQ-UHFFFAOYSA-N 0 0 429.925 5.001 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)c3ccccc3n2)cc1 ZINC000089652677 569160667 /nfs/dbraw/zinc/16/06/67/569160667.db2.gz GKQXDWYJPUUOIB-VWLOTQADSA-N 0 0 428.488 5.026 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)c3ccccc3n2)cc1 ZINC000089652678 569160686 /nfs/dbraw/zinc/16/06/86/569160686.db2.gz GKQXDWYJPUUOIB-RUZDIDTESA-N 0 0 428.488 5.026 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662044 569160829 /nfs/dbraw/zinc/16/08/29/569160829.db2.gz QAMLRPXMMZCXPN-OALUTQOASA-N 0 0 446.979 5.144 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662110 569160910 /nfs/dbraw/zinc/16/09/10/569160910.db2.gz GRHRAEJAGOWHKT-UXHICEINSA-N 0 0 445.991 5.749 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3cccc(C)c3)C2)cc1 ZINC000089669344 569161089 /nfs/dbraw/zinc/16/10/89/569161089.db2.gz UGNXARGGKRRVOU-IBGZPJMESA-N 0 0 439.309 5.351 50 0 IKAARN COc1cccc(C2=NN(C(=O)C(C)(C)C)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000089689013 569161417 /nfs/dbraw/zinc/16/14/17/569161417.db2.gz ZXCBNPXJYJMPGS-OAQYLSRUSA-N 0 0 435.955 5.929 50 0 IKAARN O=C(c1ccc(Oc2ccc(F)cc2Br)nc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000089767981 569162355 /nfs/dbraw/zinc/16/23/55/569162355.db2.gz PDEJRJHIFQEOSI-QGZVFWFLSA-N 0 0 430.277 5.081 50 0 IKAARN CCN1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837163 569162446 /nfs/dbraw/zinc/16/24/46/569162446.db2.gz VLKGPZYZOOFTFY-UHFFFAOYSA-N 0 0 437.565 5.794 50 0 IKAARN CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000016837189 569162544 /nfs/dbraw/zinc/16/25/44/569162544.db2.gz FZFDCPRMECRLEO-UHFFFAOYSA-N 0 0 449.601 5.664 50 0 IKAARN O=C(Nc1cccc(N2CCCCC2)c1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000089774517 569162662 /nfs/dbraw/zinc/16/26/62/569162662.db2.gz QENURSSUECNXHZ-UHFFFAOYSA-N 0 0 432.486 5.383 50 0 IKAARN COc1ccc(-c2nc(C)c(-c3ccc(SCc4cccc(Cl)c4)nn3)s2)cc1 ZINC000016838444 569162796 /nfs/dbraw/zinc/16/27/96/569162796.db2.gz JTFNGYAPSHOLHK-UHFFFAOYSA-N 0 0 439.993 6.530 50 0 IKAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4cccc(Cl)c4)oc3C)n2)cc1 ZINC000016840788 569163261 /nfs/dbraw/zinc/16/32/61/569163261.db2.gz MDUIRKSMWKEYKS-UHFFFAOYSA-N 0 0 439.924 5.767 50 0 IKAARN CCOc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000016841068 569163274 /nfs/dbraw/zinc/16/32/74/569163274.db2.gz HXDWBHGQOYWONU-UHFFFAOYSA-N 0 0 433.327 5.234 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2cc(C)cc(C)c2)c1C ZINC000016841232 569163276 /nfs/dbraw/zinc/16/32/76/569163276.db2.gz LVHKTTDBURLDEO-UHFFFAOYSA-N 0 0 436.899 5.166 50 0 IKAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000016841814 569163371 /nfs/dbraw/zinc/16/33/71/569163371.db2.gz PZVMCMVCDXCMSE-UHFFFAOYSA-N 0 0 434.521 5.287 50 0 IKAARN Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3-c3ccccc3)n2)c1 ZINC000016842932 569163429 /nfs/dbraw/zinc/16/34/29/569163429.db2.gz ZVXFZBRZLJJUNS-UHFFFAOYSA-N 0 0 432.530 5.098 50 0 IKAARN Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000016842934 569163502 /nfs/dbraw/zinc/16/35/02/569163502.db2.gz HFPJLSHMTJALSS-UHFFFAOYSA-N 0 0 432.530 5.098 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)o2)cc1 ZINC000016846383 569163970 /nfs/dbraw/zinc/16/39/70/569163970.db2.gz CJWHLGJSZYFEQN-UHFFFAOYSA-N 0 0 448.422 5.298 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(C(=O)N2CCCC2)n1 ZINC000089794134 569164099 /nfs/dbraw/zinc/16/40/99/569164099.db2.gz OSGDQWQSZAUASI-UHFFFAOYSA-N 0 0 447.347 5.000 50 0 IKAARN O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccccc1Cl ZINC000016849196 569164521 /nfs/dbraw/zinc/16/45/21/569164521.db2.gz PNELHLZEBQHEQB-UHFFFAOYSA-N 0 0 449.363 5.343 50 0 IKAARN C[C@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1c(F)cccc1F ZINC000016868571 569165240 /nfs/dbraw/zinc/16/52/40/569165240.db2.gz LIMNHNKKSJZPNH-NSHDSACASA-N 0 0 439.336 5.428 50 0 IKAARN S=C(NCc1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 ZINC000089836532 569165381 /nfs/dbraw/zinc/16/53/81/569165381.db2.gz ZLBSIKXSMMFVNS-LJQANCHMSA-N 0 0 440.366 5.268 50 0 IKAARN CC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000016890395 569165489 /nfs/dbraw/zinc/16/54/89/569165489.db2.gz CEGPDVIRRUWRDF-UHFFFAOYSA-N 0 0 439.587 5.243 50 0 IKAARN O=C(CCCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830380 569165620 /nfs/dbraw/zinc/16/56/20/569165620.db2.gz HPNMXCOMSVXBCO-QFIPXVFZSA-N 0 0 443.572 5.490 50 0 IKAARN CCc1ccc(NC(=O)[C@H](CC)n2cnc3scc(-c4ccc(CC)cc4)c3c2=O)cc1 ZINC000016895674 569165795 /nfs/dbraw/zinc/16/57/95/569165795.db2.gz FNJOAPRGMUDLDD-QFIPXVFZSA-N 0 0 445.588 5.840 50 0 IKAARN CN1CCc2c(sc(NC(=O)/C=C\c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016916103 569166239 /nfs/dbraw/zinc/16/62/39/569166239.db2.gz AUXOJWMVQCEMQD-QXMHVHEDSA-N 0 0 431.586 5.665 50 0 IKAARN O=C(c1ccsc1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000089885417 569166645 /nfs/dbraw/zinc/16/66/45/569166645.db2.gz VWIOTJYTBLPMPG-KRWDZBQOSA-N 0 0 425.897 5.032 50 0 IKAARN COCCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000016942949 569166782 /nfs/dbraw/zinc/16/67/82/569166782.db2.gz ILNGYYXOCDMAJT-UHFFFAOYSA-N 0 0 432.471 5.384 50 0 IKAARN CC(C)c1nccc(C2CCN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)n1 ZINC000089893782 569166796 /nfs/dbraw/zinc/16/67/96/569166796.db2.gz HQWIYWAIILHWIE-UHFFFAOYSA-N 0 0 441.790 5.378 50 0 IKAARN COCCn1c(SCc2ccc(Br)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000016942945 569166797 /nfs/dbraw/zinc/16/67/97/569166797.db2.gz DWFKAHQTOQGIBE-UHFFFAOYSA-N 0 0 443.370 5.128 50 0 IKAARN COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 ZINC000089904815 569167024 /nfs/dbraw/zinc/16/70/24/569167024.db2.gz YEKDDCBUFIMHPK-AVRDEDQJSA-N 0 0 430.957 5.467 50 0 IKAARN C[C@H](NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 ZINC000089904640 569167047 /nfs/dbraw/zinc/16/70/47/569167047.db2.gz YPXTYXXBGCLIID-VOJFVSQTSA-N 0 0 434.439 5.132 50 0 IKAARN C[C@@H](NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 ZINC000089904639 569167052 /nfs/dbraw/zinc/16/70/52/569167052.db2.gz YPXTYXXBGCLIID-ADLMAVQZSA-N 0 0 434.439 5.132 50 0 IKAARN C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904492 569167065 /nfs/dbraw/zinc/16/70/65/569167065.db2.gz XVEQNRLOLYWCFS-LLVKDONJSA-N 0 0 447.347 5.520 50 0 IKAARN COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 ZINC000089904814 569167078 /nfs/dbraw/zinc/16/70/78/569167078.db2.gz YEKDDCBUFIMHPK-PGRDOPGGSA-N 0 0 430.957 5.467 50 0 IKAARN C[C@H](NC(=O)CCC(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 ZINC000089905513 569167226 /nfs/dbraw/zinc/16/72/26/569167226.db2.gz XOQIBEZUWPDJNL-RXVVDRJESA-N 0 0 447.604 5.036 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2Cl)cc1 ZINC000016954941 569167589 /nfs/dbraw/zinc/16/75/89/569167589.db2.gz PWBKMADVWZBTSX-UHFFFAOYSA-N 0 0 447.947 5.821 50 0 IKAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000016954956 569167610 /nfs/dbraw/zinc/16/76/10/569167610.db2.gz XZDIPBRKVTUFIO-JXMROGBWSA-N 0 0 438.556 6.230 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(Cl)cc2)cc1 ZINC000016954933 569167667 /nfs/dbraw/zinc/16/76/67/569167667.db2.gz HSONFWLYWRHCSB-UHFFFAOYSA-N 0 0 447.947 5.821 50 0 IKAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)cc3c2C1 ZINC000089930067 569167884 /nfs/dbraw/zinc/16/78/84/569167884.db2.gz CPASXRHKHCJPGU-HNNXBMFYSA-N 0 0 426.545 5.921 50 0 IKAARN COc1cccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000016960604 569168214 /nfs/dbraw/zinc/16/82/14/569168214.db2.gz FCSAFEFASGIVFW-DHZHZOJOSA-N 0 0 438.556 6.230 50 0 IKAARN CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1cccs1 ZINC000014701943 569168552 /nfs/dbraw/zinc/16/85/52/569168552.db2.gz YIXJWTHQCHBNKO-UHFFFAOYSA-N 0 0 444.607 5.460 50 0 IKAARN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000089947878 569168561 /nfs/dbraw/zinc/16/85/61/569168561.db2.gz QFSAJGZDNZWQQW-FQEVSTJZSA-N 0 0 429.607 5.322 50 0 IKAARN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000089953273 569168616 /nfs/dbraw/zinc/16/86/16/569168616.db2.gz CTSWGEUCCZDJNH-KRWDZBQOSA-N 0 0 431.558 5.022 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(Cl)c1 ZINC000016977353 569168917 /nfs/dbraw/zinc/16/89/17/569168917.db2.gz GZTOWVXIGYDIJC-UHFFFAOYSA-N 0 0 441.959 6.304 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccccc3OC)c2c1 ZINC000016977533 569168967 /nfs/dbraw/zinc/16/89/67/569168967.db2.gz PERQTYRAHAWMPA-UHFFFAOYSA-N 0 0 449.576 5.528 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2cccc(F)c2)nn1 ZINC000016992365 569169520 /nfs/dbraw/zinc/16/95/20/569169520.db2.gz GECIVGLDSOWLCY-UHFFFAOYSA-N 0 0 442.566 5.507 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl ZINC000014716955 569169572 /nfs/dbraw/zinc/16/95/72/569169572.db2.gz STTUTGCLLHSYDB-UHFFFAOYSA-N 0 0 430.502 5.618 50 0 IKAARN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012060 569170452 /nfs/dbraw/zinc/17/04/52/569170452.db2.gz HXYKOXVTLFHHSW-UHFFFAOYSA-N 0 0 435.361 5.925 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)C4CCCCC4)cc3)n2)cc1 ZINC000017013001 569170465 /nfs/dbraw/zinc/17/04/65/569170465.db2.gz CEXTVGRSSSCCPC-UHFFFAOYSA-N 0 0 431.540 5.800 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000017013425 569170625 /nfs/dbraw/zinc/17/06/25/569170625.db2.gz BNQWSLVTEALRKC-UHFFFAOYSA-N 0 0 437.547 5.924 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c1 ZINC000017013503 569170643 /nfs/dbraw/zinc/17/06/43/569170643.db2.gz APGFFFYPRLTSSN-UHFFFAOYSA-N 0 0 425.492 5.533 50 0 IKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 ZINC000017013060 569170688 /nfs/dbraw/zinc/17/06/88/569170688.db2.gz CNJJYMMWXVLOOJ-UHFFFAOYSA-N 0 0 429.568 6.571 50 0 IKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000017013547 569170715 /nfs/dbraw/zinc/17/07/15/569170715.db2.gz LBQYAVLWVKYQQP-UHFFFAOYSA-N 0 0 441.457 5.400 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000017013241 569170743 /nfs/dbraw/zinc/17/07/43/569170743.db2.gz CMYVFLZXUFOZJK-UHFFFAOYSA-N 0 0 437.931 5.043 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccc(C)cc3C)c2c1 ZINC000017025945 569170971 /nfs/dbraw/zinc/17/09/71/569170971.db2.gz NBWZFAVFQDKMGN-UHFFFAOYSA-N 0 0 447.604 6.136 50 0 IKAARN C[C@H](CC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@@H]1C)CC(C)(C)C ZINC000037355826 569170987 /nfs/dbraw/zinc/17/09/87/569170987.db2.gz KNRJAHFUWFTQIV-MSOLQXFVSA-N 0 0 445.007 5.422 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(C)cc2)cc1 ZINC000017041803 569171488 /nfs/dbraw/zinc/17/14/88/569171488.db2.gz HCUWTCXQNFGYOT-UHFFFAOYSA-N 0 0 427.529 5.476 50 0 IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(C)cc2)c1 ZINC000017041809 569171489 /nfs/dbraw/zinc/17/14/89/569171489.db2.gz VCLKXOVYOQYPEI-UHFFFAOYSA-N 0 0 427.529 5.476 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(C)cc4)cc3)n2)cc1 ZINC000017041034 569171522 /nfs/dbraw/zinc/17/15/22/569171522.db2.gz IWEDYOZQQRZTEM-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000017042778 569171650 /nfs/dbraw/zinc/17/16/50/569171650.db2.gz UBRAZIXRXISCIG-UHFFFAOYSA-N 0 0 437.547 6.450 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(C)c(C)c4)ccc32)cc1 ZINC000017050721 569171743 /nfs/dbraw/zinc/17/17/43/569171743.db2.gz AJCMEUMYKIPEJK-UHFFFAOYSA-N 0 0 434.561 5.006 50 0 IKAARN C[C@@H]1CN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356587 569172163 /nfs/dbraw/zinc/17/21/63/569172163.db2.gz SHHBFAOLECHXHH-MRXNPFEDSA-N 0 0 446.954 5.069 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)C[C@@H]1C ZINC000037356595 569172296 /nfs/dbraw/zinc/17/22/96/569172296.db2.gz PNDMCZDCQJZSQR-INIZCTEOSA-N 0 0 434.943 5.069 50 0 IKAARN C[C@@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1Cc1cccc(Cl)c1 ZINC000037356557 569172300 /nfs/dbraw/zinc/17/23/00/569172300.db2.gz WVILRRZZUVIIAC-MRXNPFEDSA-N 0 0 429.351 5.286 50 0 IKAARN CC1(C)c2ccccc2N2CCO[C@@]21/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000017111626 569174011 /nfs/dbraw/zinc/17/40/11/569174011.db2.gz WVIDEYWNXXQAGD-WYPAJJBVSA-N 0 0 435.571 6.075 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccsc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000017102772 569174035 /nfs/dbraw/zinc/17/40/35/569174035.db2.gz HYPFTNWWKDQHCH-UHFFFAOYSA-N 0 0 438.858 6.233 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4Cl)cc3o2)cc1 ZINC000017112933 569174167 /nfs/dbraw/zinc/17/41/67/569174167.db2.gz SYONEMPFDFBGES-UHFFFAOYSA-N 0 0 431.919 6.663 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3cccc(C)c3)c2c1 ZINC000017135407 569174376 /nfs/dbraw/zinc/17/43/76/569174376.db2.gz GBVCDTWNBYAHOP-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(C)c1 ZINC000017135404 569174392 /nfs/dbraw/zinc/17/43/92/569174392.db2.gz TZOAFJDLICUNOY-UHFFFAOYSA-N 0 0 449.023 6.275 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccc(C(F)(F)F)c1 ZINC000017149915 569174840 /nfs/dbraw/zinc/17/48/40/569174840.db2.gz ITJHHKWHXPBTCK-UHFFFAOYSA-N 0 0 428.233 5.239 50 0 IKAARN Fc1ccccc1CSc1nc2cccnc2n1Cc1ccc(Br)cc1F ZINC000009153033 569175106 /nfs/dbraw/zinc/17/51/06/569175106.db2.gz NVTJJBXVNCPWJM-UHFFFAOYSA-N 0 0 446.320 5.813 50 0 IKAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1ccccc1)nc2-c1ccc(Cl)cc1 ZINC000037358038 569175831 /nfs/dbraw/zinc/17/58/31/569175831.db2.gz PLNASNCBWGWCSL-UHFFFAOYSA-N 0 0 440.938 5.389 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn(CCOc3ccc(C)cc3)c(=O)c12 ZINC000000936976 569176337 /nfs/dbraw/zinc/17/63/37/569176337.db2.gz VLWRFWYDCBKWCH-UHFFFAOYSA-N 0 0 447.560 5.023 50 0 IKAARN Cc1cc(C)c(C)c(Oc2coc3cc(OCC(=O)Nc4ccccc4F)ccc3c2=O)c1 ZINC000000950221 569176390 /nfs/dbraw/zinc/17/63/90/569176390.db2.gz WWKCHGNSHZDVPL-UHFFFAOYSA-N 0 0 447.462 5.667 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 ZINC000001049608 569176414 /nfs/dbraw/zinc/17/64/14/569176414.db2.gz ALJHWPOQISBSTC-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN COC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1cccc3ccccc31)c2=O ZINC000000942732 569176437 /nfs/dbraw/zinc/17/64/37/569176437.db2.gz BXGAGDQKSKTHNG-UHFFFAOYSA-N 0 0 428.362 5.184 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)c3)oc2c(C)c1 ZINC000001076231 569176673 /nfs/dbraw/zinc/17/66/73/569176673.db2.gz JNAAPZBPSMEBHY-UHFFFAOYSA-N 0 0 443.894 5.598 50 0 IKAARN C[C@H](Oc1ccc(C(=O)NC2CCCCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000001791737 569177093 /nfs/dbraw/zinc/17/70/93/569177093.db2.gz KWGYOAUYRUYUDP-HNNXBMFYSA-N 0 0 434.458 5.174 50 0 IKAARN CC(C)(C)CC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001788391 569177114 /nfs/dbraw/zinc/17/71/14/569177114.db2.gz FKAODALSXDRMMW-UHFFFAOYSA-N 0 0 431.282 5.689 50 0 IKAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1ccc(Br)cc1 ZINC000001789813 569177126 /nfs/dbraw/zinc/17/71/26/569177126.db2.gz GPTZDXFLKGIAJR-NSHDSACASA-N 0 0 448.411 5.452 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000006142053 569177280 /nfs/dbraw/zinc/17/72/80/569177280.db2.gz JSOJSWOILFOYBD-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN COc1cccc(OCCOc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)c1 ZINC000002823596 569177480 /nfs/dbraw/zinc/17/74/80/569177480.db2.gz SIPHWAPWUGNPKL-HZHRSRAPSA-N 0 0 449.890 5.151 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000002871278 569177497 /nfs/dbraw/zinc/17/74/97/569177497.db2.gz FASARMIYIADHTC-UHFFFAOYSA-N 0 0 441.940 5.013 50 0 IKAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3C)s2)c1 ZINC000002872297 569177600 /nfs/dbraw/zinc/17/76/00/569177600.db2.gz RZHDKBRVWJKYSA-QGZVFWFLSA-N 0 0 441.622 5.977 50 0 IKAARN CC(C)(C)c1cc(Sc2c(F)c(F)nc(N3CCCC3)c2F)cc(C(C)(C)C)c1O ZINC000002082745 569177721 /nfs/dbraw/zinc/17/77/21/569177721.db2.gz DULNJEIFPAZNLV-UHFFFAOYSA-N 0 0 438.559 6.551 50 0 IKAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC1CC1)nc2-c1cccc(Cl)c1 ZINC000037359630 569177729 /nfs/dbraw/zinc/17/77/29/569177729.db2.gz LEXZKFZYGQOHJE-UHFFFAOYSA-N 0 0 425.323 5.193 50 0 IKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000002085466 569178419 /nfs/dbraw/zinc/17/84/19/569178419.db2.gz YUNVEBPPMKSNJT-SRZZPIQSSA-N 0 0 442.273 6.056 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000006924981 569178585 /nfs/dbraw/zinc/17/85/85/569178585.db2.gz HCPSIQYAGJBZPL-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c3cc2c1C ZINC000002093421 569178985 /nfs/dbraw/zinc/17/89/85/569178985.db2.gz DMIOFWMUCUQSAX-UHFFFAOYSA-N 0 0 444.314 6.343 50 0 biogenic IKAARN Cc1nc(-c2ccsc2)sc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000027124134 569179105 /nfs/dbraw/zinc/17/91/05/569179105.db2.gz FFULVVWFICCHSS-OAHLLOKOSA-N 0 0 441.603 5.616 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)ccc21 ZINC000002094389 569179155 /nfs/dbraw/zinc/17/91/55/569179155.db2.gz KDNZFSIBGYTCHE-UHFFFAOYSA-N 0 0 426.472 5.247 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)c(C)c2oc1=O ZINC000002095250 569179161 /nfs/dbraw/zinc/17/91/61/569179161.db2.gz CTXQAPNFIGYFJA-UHFFFAOYSA-N 0 0 449.330 5.791 50 0 biogenic IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3Cl)c2)cc1 ZINC000002097034 569179288 /nfs/dbraw/zinc/17/92/88/569179288.db2.gz LHDKQGZBUJVNMD-UHFFFAOYSA-N 0 0 448.902 6.348 50 0 biogenic IKAARN C=Cc1ccc(COc2ccc3c(c2)oc(C)c(Oc2ccccc2OCC)c3=O)cc1 ZINC000002098024 569179434 /nfs/dbraw/zinc/17/94/34/569179434.db2.gz BVELSPQGRLOLQG-UHFFFAOYSA-N 0 0 428.484 6.514 50 0 biogenic IKAARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCCN(c3ccccc3)C2=O)cc1 ZINC000002097581 569179459 /nfs/dbraw/zinc/17/94/59/569179459.db2.gz LCPKZYWDWZRWST-IZZNHLLZSA-N 0 0 427.544 5.885 50 0 biogenic IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000002100681 569179644 /nfs/dbraw/zinc/17/96/44/569179644.db2.gz ZOMYUAOEWWRQEY-XNTDXEJSSA-N 0 0 440.495 6.094 50 0 biogenic IKAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2sc(C)c(C)c2c1=O ZINC000002399543 569180072 /nfs/dbraw/zinc/18/00/72/569180072.db2.gz DESNQKXOCQLSAZ-UHFFFAOYSA-N 0 0 436.002 5.096 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000002321766 569180132 /nfs/dbraw/zinc/18/01/32/569180132.db2.gz FNLVLDIKRJPIBU-UHFFFAOYSA-N 0 0 447.774 6.638 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000000991986 569180452 /nfs/dbraw/zinc/18/04/52/569180452.db2.gz HIXVRKCMOLLBRM-UHFFFAOYSA-N 0 0 431.875 5.604 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000000897133 569180486 /nfs/dbraw/zinc/18/04/86/569180486.db2.gz SMGSYKAWHJRJJN-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)cc1 ZINC000002079347 569180534 /nfs/dbraw/zinc/18/05/34/569180534.db2.gz QWRMNZAAMNAXND-GOSISDBHSA-N 0 0 443.930 6.600 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)cc1 ZINC000002079348 569180538 /nfs/dbraw/zinc/18/05/38/569180538.db2.gz QWRMNZAAMNAXND-SFHVURJKSA-N 0 0 443.930 6.600 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001820954 569180551 /nfs/dbraw/zinc/18/05/51/569180551.db2.gz JUWIKACBRMYBON-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000001303974 569180559 /nfs/dbraw/zinc/18/05/59/569180559.db2.gz XUWGLLLYRAQOCA-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN COc1ccc(-n2c(SCc3ccccc3C)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000001790296 569180568 /nfs/dbraw/zinc/18/05/68/569180568.db2.gz ZYMANSLRIUTPTI-UHFFFAOYSA-N 0 0 448.613 5.935 50 0 IKAARN Fc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000001245306 569180593 /nfs/dbraw/zinc/18/05/93/569180593.db2.gz MQPBJZNKNOIUDQ-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001837022 569180600 /nfs/dbraw/zinc/18/06/00/569180600.db2.gz IMTMMQAWPNOBHM-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000001882660 569180616 /nfs/dbraw/zinc/18/06/16/569180616.db2.gz AHBKPFBBTKQWHW-UHFFFAOYSA-N 0 0 440.955 7.097 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)c3ccc(Cl)cc3)c2C)cc1 ZINC000002079351 569180619 /nfs/dbraw/zinc/18/06/19/569180619.db2.gz GVZUSRZLNVAPPJ-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1C ZINC000001294392 569180625 /nfs/dbraw/zinc/18/06/25/569180625.db2.gz CSIJMNUHDCNXPV-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN CCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Br)cc21 ZINC000002199226 569180675 /nfs/dbraw/zinc/18/06/75/569180675.db2.gz RYQHZGHRKFPSDK-UHFFFAOYSA-N 0 0 442.353 6.410 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3ccccc3c2=O)cc1 ZINC000002260379 569180683 /nfs/dbraw/zinc/18/06/83/569180683.db2.gz GZFWFTZJPIITPC-UHFFFAOYSA-N 0 0 443.572 5.350 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002262842 569180686 /nfs/dbraw/zinc/18/06/86/569180686.db2.gz NBSIHMBCBHLACZ-UHFFFAOYSA-N 0 0 448.035 7.486 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3cc(Cl)ccc3n2)cc1 ZINC000002079493 569180696 /nfs/dbraw/zinc/18/06/96/569180696.db2.gz QOXHLITUJCDCAV-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000002262736 569180700 /nfs/dbraw/zinc/18/07/00/569180700.db2.gz LUEHPPFTRIZZKT-UHFFFAOYSA-N 0 0 436.027 5.831 50 0 IKAARN Cc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)OCC(=O)c3ccccc3)c2C)cc1 ZINC000002079498 569180704 /nfs/dbraw/zinc/18/07/04/569180704.db2.gz XAVRCVGYYKHUDL-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 ZINC000002367790 569180780 /nfs/dbraw/zinc/18/07/80/569180780.db2.gz UGUDZAODZNWUCX-UHFFFAOYSA-N 0 0 432.614 6.235 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000002522870 569180963 /nfs/dbraw/zinc/18/09/63/569180963.db2.gz YNJMRFGBFCRTAT-UHFFFAOYSA-N 0 0 442.393 5.132 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CC)cc3)nc3c(C)cccc23)cc1 ZINC000002578201 569180965 /nfs/dbraw/zinc/18/09/65/569180965.db2.gz COBDHTOYMCUOEI-UHFFFAOYSA-N 0 0 437.539 6.375 50 0 IKAARN CCCCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000002107030 569181177 /nfs/dbraw/zinc/18/11/77/569181177.db2.gz MKYPRURZVRYSAR-RDGATRHJSA-N 0 0 449.982 5.087 50 0 biogenic IKAARN C=Cc1ccc(COc2ccc3oc(-c4ccc(OC)cc4)c(C(=O)OCC)c3c2)cc1 ZINC000002107266 569181215 /nfs/dbraw/zinc/18/12/15/569181215.db2.gz GYMRSVSJXDJRGB-UHFFFAOYSA-N 0 0 428.484 6.507 50 0 IKAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC ZINC000002108933 569181689 /nfs/dbraw/zinc/18/16/89/569181689.db2.gz SJIHOEKCVPDYLP-BKJWKRJESA-N 0 0 434.580 5.291 50 0 biogenic IKAARN CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC ZINC000002108745 569181740 /nfs/dbraw/zinc/18/17/40/569181740.db2.gz MBFGSOVOGFPPMA-RRMBJHDJSA-N 0 0 448.607 5.682 50 0 biogenic IKAARN Cc1c(C(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)c2ccccc2n1C ZINC000002109713 569181862 /nfs/dbraw/zinc/18/18/62/569181862.db2.gz GJOBZDOUGHHJEF-UHFFFAOYSA-N 0 0 439.467 5.227 50 0 biogenic IKAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)c1 ZINC000002111728 569181971 /nfs/dbraw/zinc/18/19/71/569181971.db2.gz APPASPBEFPFHKC-BDYUSTAISA-N 0 0 449.554 6.083 50 0 biogenic IKAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)c1 ZINC000002111729 569182005 /nfs/dbraw/zinc/18/20/05/569182005.db2.gz APPASPBEFPFHKC-AHKZPQOWSA-N 0 0 449.554 6.083 50 0 biogenic IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)cc1 ZINC000002112151 569182134 /nfs/dbraw/zinc/18/21/34/569182134.db2.gz FCNNEOBGLKPFGC-BDYUSTAISA-N 0 0 449.554 6.083 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C(=O)OCCC)cc1)CO3 ZINC000002114248 569182327 /nfs/dbraw/zinc/18/23/27/569182327.db2.gz XDRAZMPDATVMBP-UHFFFAOYSA-N 0 0 435.520 5.367 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2c(C)cc(C)cc2C)CO4)cc1 ZINC000002115514 569182428 /nfs/dbraw/zinc/18/24/28/569182428.db2.gz GVOHSBYUVDJLEV-UHFFFAOYSA-N 0 0 441.527 6.059 50 0 biogenic IKAARN CSC1=N[C@@H](SCC(=O)N[C@H](C)Cc2ccccc2)c2c3c(sc2N1)CCCC3 ZINC000002117778 569182549 /nfs/dbraw/zinc/18/25/49/569182549.db2.gz CICZKHRHCRHJSN-VLIAUNLRSA-N 0 0 445.679 5.060 50 0 IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3c(F)cccc3Cl)cc2o1 ZINC000002118227 569182576 /nfs/dbraw/zinc/18/25/76/569182576.db2.gz QUXKWBRTQFVUGC-UHFFFAOYSA-N 0 0 448.833 5.938 50 0 biogenic IKAARN Cc1ccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)cc1C ZINC000002116907 569182582 /nfs/dbraw/zinc/18/25/82/569182582.db2.gz ZLWOHOYSRIVLQH-UHFFFAOYSA-N 0 0 425.528 5.974 50 0 biogenic IKAARN COc1ccc(C(=O)COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)cc1 ZINC000002119228 569182756 /nfs/dbraw/zinc/18/27/56/569182756.db2.gz RFUUUKWWWBIOOJ-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 biogenic IKAARN CC(C)c1ccc(-c2nc(C(=O)NCCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002120287 569183439 /nfs/dbraw/zinc/18/34/39/569183439.db2.gz WEOMORNCARFJNJ-UHFFFAOYSA-N 0 0 433.555 6.479 50 0 biogenic IKAARN COc1ccc2c(c1)c(C(=O)COc1cc3oc(=O)c(C)c(C)c3cc1Cl)c(C)n2C ZINC000002120435 569183444 /nfs/dbraw/zinc/18/34/44/569183444.db2.gz CTBJVQJQBOPKOT-UHFFFAOYSA-N 0 0 439.895 5.134 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)c(Cl)c2)CO4)cc1 ZINC000002120839 569183461 /nfs/dbraw/zinc/18/34/61/569183461.db2.gz CRKUZQLODODNPB-UHFFFAOYSA-N 0 0 447.918 6.095 50 0 biogenic IKAARN COc1cc(C(=O)/C(=C\c2sccc2C)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000009444166 569183470 /nfs/dbraw/zinc/18/34/70/569183470.db2.gz AHSBXKMJQWJRAZ-DTQAZKPQSA-N 0 0 434.517 5.382 50 0 IKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(C(C)(C)C)cc1)CO2 ZINC000002122105 569183584 /nfs/dbraw/zinc/18/35/84/569183584.db2.gz DDUOKZJGAKUCQD-UHFFFAOYSA-N 0 0 425.528 6.422 50 0 biogenic IKAARN COc1ccccc1-c1nc(C(=O)NCCCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000002124861 569183904 /nfs/dbraw/zinc/18/39/04/569183904.db2.gz QJZLIFVJZZOCSW-UHFFFAOYSA-N 0 0 435.527 5.754 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc4ccccc4c3)cc2o1 ZINC000002127034 569184014 /nfs/dbraw/zinc/18/40/14/569184014.db2.gz ADUZRXKAJPUSHR-UHFFFAOYSA-N 0 0 446.458 6.299 50 0 biogenic IKAARN COc1cccc(-c2nc(C(=O)NCCc3cccc(F)c3)cc3c4ccccc4[nH]c32)c1 ZINC000002126232 569184018 /nfs/dbraw/zinc/18/40/18/569184018.db2.gz YWCUSJBLEZZECY-UHFFFAOYSA-N 0 0 439.490 5.503 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccc(F)cc3)n2)cc1 ZINC000002125696 569184045 /nfs/dbraw/zinc/18/40/45/569184045.db2.gz GPHGLZBKPGKNKV-UHFFFAOYSA-N 0 0 425.463 5.461 50 0 biogenic IKAARN COc1ccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002129306 569184452 /nfs/dbraw/zinc/18/44/52/569184452.db2.gz MNEWCLXTTXZGNC-UHFFFAOYSA-N 0 0 435.527 5.754 50 0 biogenic IKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cc(-c2ccco2)on1 ZINC000208005302 569184658 /nfs/dbraw/zinc/18/46/58/569184658.db2.gz SDPQGTRVRWTZPY-UHFFFAOYSA-N 0 0 429.461 5.449 50 0 IKAARN COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002131730 569185037 /nfs/dbraw/zinc/18/50/37/569185037.db2.gz VOYRQQZZAIQKFG-UHFFFAOYSA-N 0 0 425.463 5.461 50 0 biogenic IKAARN COc1ccc(OC)c(-c2nc(C(=O)NCc3ccccc3)cc3c4ccccc4[nH]c32)c1 ZINC000002131917 569185040 /nfs/dbraw/zinc/18/50/40/569185040.db2.gz LVHNPJIKTSREBN-UHFFFAOYSA-N 0 0 437.499 5.330 50 0 biogenic IKAARN CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1 ZINC000000925213 569185377 /nfs/dbraw/zinc/18/53/77/569185377.db2.gz NZQDEHVVDAHUCW-UHFFFAOYSA-N 0 0 442.588 5.210 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2c1ccc1cc(C)ccc12 ZINC000000637497 569185409 /nfs/dbraw/zinc/18/54/09/569185409.db2.gz MVENKEKGUKCNIW-UHFFFAOYSA-N 0 0 436.305 5.571 50 0 IKAARN C[C@H](CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F ZINC000252477515 569185969 /nfs/dbraw/zinc/18/59/69/569185969.db2.gz POIVXTZYQARGFW-AZOIQLNYSA-N 0 0 445.403 5.552 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)c(C)c1 ZINC000252479643 569186121 /nfs/dbraw/zinc/18/61/21/569186121.db2.gz BJDGBOBQDNNPEL-UHFFFAOYSA-N 0 0 446.576 5.320 50 0 IKAARN O=C(Cc1noc2ccccc21)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000208010853 569186187 /nfs/dbraw/zinc/18/61/87/569186187.db2.gz IMRMNFUOCIIUKU-UHFFFAOYSA-N 0 0 429.476 5.939 50 0 IKAARN CCOc1ccc2nc(SCC(=O)NCCc3c(C)[nH]c4c3cccc4F)sc2c1 ZINC000252487936 569186678 /nfs/dbraw/zinc/18/66/78/569186678.db2.gz IFDAIHHDBXNGIJ-UHFFFAOYSA-N 0 0 443.569 5.075 50 0 IKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c3cc12 ZINC000002147139 569187017 /nfs/dbraw/zinc/18/70/17/569187017.db2.gz FSMAEWDNFLFGTN-UHFFFAOYSA-N 0 0 430.287 6.034 50 0 biogenic IKAARN CCOc1ccc(/N=c2\cc(-c3ccc(OC)cc3)cc(OC)c3c(C)oc(C)c32)cc1 ZINC000002146447 569187020 /nfs/dbraw/zinc/18/70/20/569187020.db2.gz WEDCCYRYEJLCND-ZZIIXHQDSA-N 0 0 429.516 6.365 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)c(C)c2oc1=O ZINC000002150718 569187297 /nfs/dbraw/zinc/18/72/97/569187297.db2.gz JSVHDPAQDXGRIC-UHFFFAOYSA-N 0 0 449.330 5.791 50 0 biogenic IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000002156803 569187531 /nfs/dbraw/zinc/18/75/31/569187531.db2.gz PXFIGWQJJVTBOX-MHZLTWQESA-N 0 0 447.531 5.180 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc43)c(Cl)cc12 ZINC000002158948 569187665 /nfs/dbraw/zinc/18/76/65/569187665.db2.gz VKDZJVAMKMHADA-UHFFFAOYSA-N 0 0 437.923 5.851 50 0 biogenic IKAARN CCc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c1 ZINC000252494270 569187859 /nfs/dbraw/zinc/18/78/59/569187859.db2.gz NQFVZPMMJNBGHM-UHFFFAOYSA-N 0 0 444.560 5.020 50 0 IKAARN O=C(NCCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000002159933 569187865 /nfs/dbraw/zinc/18/78/65/569187865.db2.gz JKFYCOWETFPOMT-UHFFFAOYSA-N 0 0 439.946 6.399 50 0 biogenic IKAARN COc1ccccc1CNC(=O)c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1 ZINC000002159243 569187879 /nfs/dbraw/zinc/18/78/79/569187879.db2.gz AZVVWQJQRINONX-UHFFFAOYSA-N 0 0 441.918 5.975 50 0 biogenic IKAARN C[C@@H](c1nc2ccccc2[nH]1)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000252505167 569188204 /nfs/dbraw/zinc/18/82/04/569188204.db2.gz VQJCPVYIXLNWJA-LBPRGKRZSA-N 0 0 435.940 5.663 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)c1 ZINC000252507937 569188352 /nfs/dbraw/zinc/18/83/52/569188352.db2.gz WXTYWUGSUARRFX-UHFFFAOYSA-N 0 0 446.576 5.266 50 0 IKAARN Cc1c(OCc2ccccc2Cl)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002160484 569188952 /nfs/dbraw/zinc/18/89/52/569188952.db2.gz MCLIXAVIRULFMP-UHFFFAOYSA-N 0 0 444.870 6.107 50 0 biogenic IKAARN CCn1c2ccccc2c2cc(N3COc4c(C)c5oc(=O)c(C)c(C)c5cc4C3)ccc21 ZINC000002160496 569189022 /nfs/dbraw/zinc/18/90/22/569189022.db2.gz RWOJAAHEWJBGSL-UHFFFAOYSA-N 0 0 438.527 6.203 50 0 biogenic IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000025869110 569189105 /nfs/dbraw/zinc/18/91/05/569189105.db2.gz CLYQQYXUKPFUSX-ISKFKSNPSA-N 0 0 449.348 6.008 50 0 IKAARN CC(C)c1noc(CCCN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)n1 ZINC000252535904 569189909 /nfs/dbraw/zinc/18/99/09/569189909.db2.gz HDDAESRVRQNLOZ-UHFFFAOYSA-N 0 0 443.960 5.165 50 0 IKAARN O=C1[C@@H]2C(c3ccccc3)(c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000002178797 569190341 /nfs/dbraw/zinc/19/03/41/569190341.db2.gz ZVYHIKMMAYRFIB-IRPSRAIASA-N 0 0 449.937 5.767 50 0 IKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CCCCC3)cc1 ZINC000002185821 569190504 /nfs/dbraw/zinc/19/05/04/569190504.db2.gz CEEIGGLWNQWBBA-UHFFFAOYSA-N 0 0 438.980 6.483 50 0 IKAARN CC(C)(C)c1cc(Sc2nnc(-c3ccccc3)c3ccccc32)cc(C(C)(C)C)c1O ZINC000002191547 569190515 /nfs/dbraw/zinc/19/05/15/569190515.db2.gz HOJWKHYYSDXAIB-UHFFFAOYSA-N 0 0 442.628 7.749 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000002191534 569190530 /nfs/dbraw/zinc/19/05/30/569190530.db2.gz BBKUBGNHNAQHNO-LJQANCHMSA-N 0 0 442.650 5.742 50 0 IKAARN CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1OCC ZINC000002192739 569190715 /nfs/dbraw/zinc/19/07/15/569190715.db2.gz BWAKWAYKBDCMNJ-UHFFFAOYSA-N 0 0 445.581 5.171 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc3ccccc3c2)cc1 ZINC000002193907 569190788 /nfs/dbraw/zinc/19/07/88/569190788.db2.gz RPPUCBXFUWVECG-UHFFFAOYSA-N 0 0 436.511 5.694 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(F)cc1)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000002193279 569190796 /nfs/dbraw/zinc/19/07/96/569190796.db2.gz UAOKVPRSSYPVKI-UHFFFAOYSA-N 0 0 446.474 5.820 50 0 IKAARN CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000002193995 569190819 /nfs/dbraw/zinc/19/08/19/569190819.db2.gz QRMOQAQBVLGPTD-UHFFFAOYSA-N 0 0 447.466 5.341 50 0 IKAARN O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc2ccccc2c1 ZINC000002194859 569191314 /nfs/dbraw/zinc/19/13/14/569191314.db2.gz VUQHBCUFUCADOE-UHFFFAOYSA-N 0 0 439.902 5.509 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1nc2ccc(F)cc2s1 ZINC000002197770 569191470 /nfs/dbraw/zinc/19/14/70/569191470.db2.gz DIJROBBWRNGMJJ-HXUWFJFHSA-N 0 0 428.444 5.292 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C3=O ZINC000002198789 569191529 /nfs/dbraw/zinc/19/15/29/569191529.db2.gz XQMREIJWUQOIMH-FQEVSTJZSA-N 0 0 440.282 5.747 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccco3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000037379695 569191585 /nfs/dbraw/zinc/19/15/85/569191585.db2.gz IXIZNHUJULWEBJ-IBGZPJMESA-N 0 0 441.358 6.469 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000037380317 569191624 /nfs/dbraw/zinc/19/16/24/569191624.db2.gz FLHTWRJAZWZLLO-YVEFUNNKSA-N 0 0 437.849 5.926 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000037380311 569191637 /nfs/dbraw/zinc/19/16/37/569191637.db2.gz FLHTWRJAZWZLLO-SJCJKPOMSA-N 0 0 437.849 5.926 50 0 IKAARN C[C@@H]1CCCN(C(=O)/C=C2/Sc3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000037381816 569191874 /nfs/dbraw/zinc/19/18/74/569191874.db2.gz PKANWOICQGADRF-WMRWHDLOSA-N 0 0 426.969 5.121 50 0 IKAARN CC[C@@H](C)NC(=O)CCN(Cc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037382582 569191929 /nfs/dbraw/zinc/19/19/29/569191929.db2.gz OBWMILGVXSWJIM-LJQANCHMSA-N 0 0 428.536 5.201 50 0 IKAARN CCCCN(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)c1cccc(F)c1 ZINC000037381996 569191939 /nfs/dbraw/zinc/19/19/39/569191939.db2.gz ZBZRUDVYCPVCPB-UHFFFAOYSA-N 0 0 435.421 5.380 50 0 IKAARN COc1ccccc1N1CCN(c2nc(-c3cccs3)nc3cc(Cl)ccc32)CC1 ZINC000037382903 569192011 /nfs/dbraw/zinc/19/20/11/569192011.db2.gz REBASIZBAJIDAS-UHFFFAOYSA-N 0 0 436.968 5.347 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccs3)c2)cc1 ZINC000037384593 569192139 /nfs/dbraw/zinc/19/21/39/569192139.db2.gz NBRDIVPQLKWECA-UHFFFAOYSA-N 0 0 449.536 5.436 50 0 IKAARN C[C@@H](NC(=O)CCN(c1nc(-c2cccs2)nc2ccccc21)C1CC1)c1ccccc1 ZINC000037384531 569192151 /nfs/dbraw/zinc/19/21/51/569192151.db2.gz JOPQBWHKAHNANP-GOSISDBHSA-N 0 0 442.588 5.595 50 0 IKAARN Cc1ccccc1-c1nc(OCC(C)C)nn1-c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000037384957 569192260 /nfs/dbraw/zinc/19/22/60/569192260.db2.gz DRBANEDBNLFZSB-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)Nc2ccc(OC)cc2)CC(C)C)n1 ZINC000037385021 569192262 /nfs/dbraw/zinc/19/22/62/569192262.db2.gz IJONSIZTNZVGCZ-UHFFFAOYSA-N 0 0 440.975 5.345 50 0 IKAARN CCc1nc2ccccc2c(N(CCC(=O)N[C@@H](C)c2ccccc2)Cc2ccccc2)n1 ZINC000037384857 569192265 /nfs/dbraw/zinc/19/22/65/569192265.db2.gz PHEXHJMPMVHWLU-NRFANRHFSA-N 0 0 438.575 5.466 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N[C@@H](C)c2ccccc2)CC(C)C)n1 ZINC000037385029 569192267 /nfs/dbraw/zinc/19/22/67/569192267.db2.gz FILAZVXDKIHVEH-SFHVURJKSA-N 0 0 439.003 5.576 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000037385163 569192354 /nfs/dbraw/zinc/19/23/54/569192354.db2.gz WFQGSMOHPRUEGP-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037385181 569192384 /nfs/dbraw/zinc/19/23/84/569192384.db2.gz MVZZGKLOUFRNHB-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN COc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)n1 ZINC000037385101 569192404 /nfs/dbraw/zinc/19/24/04/569192404.db2.gz FHYUSNGBLDOPSX-UHFFFAOYSA-N 0 0 439.397 5.004 50 0 IKAARN CC(C)Oc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000037385317 569192407 /nfs/dbraw/zinc/19/24/07/569192407.db2.gz QDKGTWVITJTRHE-UHFFFAOYSA-N 0 0 445.350 5.767 50 0 IKAARN COc1cccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3c2)c1 ZINC000002201598 569192487 /nfs/dbraw/zinc/19/24/87/569192487.db2.gz JOUIWEQBFWSHSG-UHFFFAOYSA-N 0 0 429.453 5.298 50 0 IKAARN CCC(=O)Nc1cccc(-c2nnc(SCc3c(C)cc(C)c(C(C)=O)c3C)n2C)c1 ZINC000002201987 569192500 /nfs/dbraw/zinc/19/25/00/569192500.db2.gz XTCTUSALAOOFBE-UHFFFAOYSA-N 0 0 436.581 5.251 50 0 IKAARN Nc1nc(F)c(Cl)c(Oc2ccccc2Oc2c(F)c(N)nc(F)c2Cl)c1F ZINC000002202266 569192640 /nfs/dbraw/zinc/19/26/40/569192640.db2.gz UYVZRWBNDATNIC-UHFFFAOYSA-N 0 0 435.164 5.089 50 0 IKAARN CC(C)(CO)NC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000002204137 569192848 /nfs/dbraw/zinc/19/28/48/569192848.db2.gz KPVNUOWWAHVTRP-UHFFFAOYSA-N 0 0 444.600 5.270 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C(=O)NCC(C)C)c3ccccc3)c2cc1C ZINC000037396980 569192976 /nfs/dbraw/zinc/19/29/76/569192976.db2.gz BZWXYFISSFVXNE-MHZLTWQESA-N 0 0 443.566 5.745 50 0 IKAARN CCC[C@@H](C(=O)N(C)Cc1ccccc1)n1c2ccccc2nc1Cc1ccccc1Cl ZINC000037396740 569193065 /nfs/dbraw/zinc/19/30/65/569193065.db2.gz JQCGDYCHMPFQMJ-VWLOTQADSA-N 0 0 445.994 6.280 50 0 IKAARN CCc1c(C)c(C(=O)NCCc2ccc(OC)c(OC)c2)n(Cc2cccc(C)c2)c1C ZINC000037397202 569193153 /nfs/dbraw/zinc/19/31/53/569193153.db2.gz QLCFTQYKRWQYHY-UHFFFAOYSA-N 0 0 434.580 5.014 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C(=O)NC(C)C)c3ccccc3)c2cc1C ZINC000037397180 569193158 /nfs/dbraw/zinc/19/31/58/569193158.db2.gz LPSKMNWKSXZFLF-AREMUKBSSA-N 0 0 429.539 5.497 50 0 IKAARN CCC[C@H](C(=O)N1CCCC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397359 569193313 /nfs/dbraw/zinc/19/33/13/569193313.db2.gz LFLUPUNPXNCPFL-OAQYLSRUSA-N 0 0 430.379 5.898 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n(CCC(=O)N(C)Cc3ccccc3)c2cc1C ZINC000037397342 569193324 /nfs/dbraw/zinc/19/33/24/569193324.db2.gz COYJFBYRTLGIBH-UHFFFAOYSA-N 0 0 429.539 5.432 50 0 IKAARN CCC[C@H](C(=O)NCC(C)C)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397528 569193409 /nfs/dbraw/zinc/19/34/09/569193409.db2.gz XHFSOLITKUYYBA-OAQYLSRUSA-N 0 0 432.395 6.047 50 0 IKAARN O=C(CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)NCc1ccco1 ZINC000037397266 569193430 /nfs/dbraw/zinc/19/34/30/569193430.db2.gz VVMQVZKMZGTHTE-UHFFFAOYSA-N 0 0 428.319 5.233 50 0 IKAARN CCC[C@@H](C(=O)NCC(C)C)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397527 569193432 /nfs/dbraw/zinc/19/34/32/569193432.db2.gz XHFSOLITKUYYBA-NRFANRHFSA-N 0 0 432.395 6.047 50 0 IKAARN O=C(c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2F)cc1)N1CCCC1 ZINC000037397466 569193496 /nfs/dbraw/zinc/19/34/96/569193496.db2.gz LCZLLLOUFUZTSH-UHFFFAOYSA-N 0 0 448.523 5.195 50 0 IKAARN CCC[C@@H](C(=O)N1CCOCC1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037397638 569193643 /nfs/dbraw/zinc/19/36/43/569193643.db2.gz WNJOLTXZMVQIEU-QFIPXVFZSA-N 0 0 439.987 5.097 50 0 IKAARN CC(C)CCSc1nc(SCc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002207365 569193652 /nfs/dbraw/zinc/19/36/52/569193652.db2.gz HLFZLQXQUWZMJX-UHFFFAOYSA-N 0 0 444.691 6.973 50 0 IKAARN O=C(Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)Nc1cccc(F)c1 ZINC000037397580 569193654 /nfs/dbraw/zinc/19/36/54/569193654.db2.gz BIMKXUXXNRMJBS-UHFFFAOYSA-N 0 0 428.294 5.712 50 0 IKAARN Cc1cc2nc(Cc3ccccc3F)n([C@@H](C)C(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037397831 569193746 /nfs/dbraw/zinc/19/37/46/569193746.db2.gz PFEBUKLNNIKJTO-SFHVURJKSA-N 0 0 433.502 5.400 50 0 IKAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3F)cc2oc1=O ZINC000002207842 569193780 /nfs/dbraw/zinc/19/37/80/569193780.db2.gz HOYKAZPXCDWFJU-UHFFFAOYSA-N 0 0 436.838 5.108 50 0 IKAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000002207961 569193797 /nfs/dbraw/zinc/19/37/97/569193797.db2.gz PTCNRTODXWZDHC-AWEZNQCLSA-N 0 0 432.373 5.891 50 0 IKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc4c(c3)OCO4)c2)cc1 ZINC000002209642 569194071 /nfs/dbraw/zinc/19/40/71/569194071.db2.gz ZXLVKEAMQSVZEZ-SZXQPVLSSA-N 0 0 429.472 5.695 50 0 IKAARN CCC[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 ZINC000002209637 569194078 /nfs/dbraw/zinc/19/40/78/569194078.db2.gz LTWSMYURLCHZBI-LBPRGKRZSA-N 0 0 440.421 6.114 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(=O)NC4CC4)cc3)nnc2-c2cccs2)cc1 ZINC000037398812 569194192 /nfs/dbraw/zinc/19/41/92/569194192.db2.gz HKWRRHKBLHSQGT-UHFFFAOYSA-N 0 0 446.601 5.489 50 0 IKAARN COc1ccc(N2C(=O)[C@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@H]2/C=C/c2ccccc2)cc1 ZINC000252605181 569194322 /nfs/dbraw/zinc/19/43/22/569194322.db2.gz GHEBDNXVYPYCJK-QEEJNJDJSA-N 0 0 433.592 5.970 50 0 IKAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000037400708 569195046 /nfs/dbraw/zinc/19/50/46/569195046.db2.gz HXHVOMCPJPBRMA-GOSISDBHSA-N 0 0 447.597 5.026 50 0 IKAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)c1cccs1 ZINC000037403135 569195171 /nfs/dbraw/zinc/19/51/71/569195171.db2.gz BWEXEQWGAXBJCO-MRXNPFEDSA-N 0 0 447.553 5.096 50 0 IKAARN O=S(=O)(Oc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000037427462 569195904 /nfs/dbraw/zinc/19/59/04/569195904.db2.gz GWHQIVBDBDJRCD-UHFFFAOYSA-N 0 0 438.263 5.708 50 0 IKAARN CC[C@H](C(=O)NC(C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037439346 569196342 /nfs/dbraw/zinc/19/63/42/569196342.db2.gz IAZKVSCIPKVGAZ-OAQYLSRUSA-N 0 0 427.545 5.399 50 0 IKAARN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000037439470 569196370 /nfs/dbraw/zinc/19/63/70/569196370.db2.gz XDJQDWARKNYKPI-IBGZPJMESA-N 0 0 443.572 5.834 50 0 IKAARN CC[C@H](C(=O)NC1CC1)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 ZINC000037438505 569196411 /nfs/dbraw/zinc/19/64/11/569196411.db2.gz HKSAXGSZSZVAIF-HXUWFJFHSA-N 0 0 429.948 5.798 50 0 IKAARN O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439618 569196462 /nfs/dbraw/zinc/19/64/62/569196462.db2.gz RJCKIVSDTCKUJZ-KRWDZBQOSA-N 0 0 437.754 5.579 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000037439571 569196484 /nfs/dbraw/zinc/19/64/84/569196484.db2.gz JLENKNFMEPFPKM-NRFANRHFSA-N 0 0 446.513 5.972 50 0 IKAARN CC(C)CC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439602 569196486 /nfs/dbraw/zinc/19/64/86/569196486.db2.gz KMBFJHPEFHOQBZ-KRWDZBQOSA-N 0 0 437.342 5.700 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440112 569196523 /nfs/dbraw/zinc/19/65/23/569196523.db2.gz KZOIESHUTQNRKA-SFHVURJKSA-N 0 0 433.379 5.951 50 0 IKAARN O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439621 569196524 /nfs/dbraw/zinc/19/65/24/569196524.db2.gz RJCKIVSDTCKUJZ-QGZVFWFLSA-N 0 0 437.754 5.579 50 0 IKAARN O=C(c1ccco1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439736 569196546 /nfs/dbraw/zinc/19/65/46/569196546.db2.gz JFVQQTBSDSFXCD-QGZVFWFLSA-N 0 0 429.303 5.422 50 0 IKAARN O=C(c1ccccc1F)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037439694 569196552 /nfs/dbraw/zinc/19/65/52/569196552.db2.gz YXAVOVXWBNGKIY-HXUWFJFHSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440501 569196610 /nfs/dbraw/zinc/19/66/10/569196610.db2.gz ZSIXUWLBHNGWHY-HXUWFJFHSA-N 0 0 431.363 5.705 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C(=O)c3cccc(F)c3)C2)cc1 ZINC000037440666 569196647 /nfs/dbraw/zinc/19/66/47/569196647.db2.gz ZTQQXLGJOLFXKV-JOCHJYFZSA-N 0 0 436.914 5.623 50 0 IKAARN O=C(C1CC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440476 569196654 /nfs/dbraw/zinc/19/66/54/569196654.db2.gz QRVYYNHEYVCHOC-IBGZPJMESA-N 0 0 436.861 5.291 50 0 IKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440551 569196664 /nfs/dbraw/zinc/19/66/64/569196664.db2.gz SYFHYHSQNMYGAX-QGZVFWFLSA-N 0 0 438.877 5.537 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C(=O)c3cccc(F)c3)C2)cc1 ZINC000037441007 569196698 /nfs/dbraw/zinc/19/66/98/569196698.db2.gz QCPAHWMTDLOOPE-HSZRJFAPSA-N 0 0 436.914 5.623 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441164 569196702 /nfs/dbraw/zinc/19/67/02/569196702.db2.gz AQNGLVBCHOKZHC-NRFANRHFSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441167 569196709 /nfs/dbraw/zinc/19/67/09/569196709.db2.gz AQNGLVBCHOKZHC-OAQYLSRUSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037440821 569196730 /nfs/dbraw/zinc/19/67/30/569196730.db2.gz FDYWBWHLNNEGDF-NRFANRHFSA-N 0 0 442.412 5.079 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440773 569196776 /nfs/dbraw/zinc/19/67/76/569196776.db2.gz ZMGSUHRQFOGYBN-OAQYLSRUSA-N 0 0 440.877 5.454 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000037441682 569196800 /nfs/dbraw/zinc/19/68/00/569196800.db2.gz ZGMXSAGCPQGVIX-NRFANRHFSA-N 0 0 447.510 5.370 50 0 IKAARN O=C(C1CCCC1)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441588 569196815 /nfs/dbraw/zinc/19/68/15/569196815.db2.gz XTVPZCAENQFPHF-NRFANRHFSA-N 0 0 448.460 5.557 50 0 IKAARN CC(C)C(=O)N(Cc1ccccc1)Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C ZINC000037441454 569196874 /nfs/dbraw/zinc/19/68/74/569196874.db2.gz VFZMNSMHJDFYJR-UHFFFAOYSA-N 0 0 447.554 5.329 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441945 569196909 /nfs/dbraw/zinc/19/69/09/569196909.db2.gz YLMJLWOPUBWMLX-HXUWFJFHSA-N 0 0 436.449 5.412 50 0 IKAARN CC(C)NC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037442060 569196931 /nfs/dbraw/zinc/19/69/31/569196931.db2.gz WLOFWYXNAGBIHD-MRXNPFEDSA-N 0 0 438.330 5.246 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2F)C(=O)c2cccc(F)c2)C1 ZINC000037441721 569196948 /nfs/dbraw/zinc/19/69/48/569196948.db2.gz KYHLVWVADWXOQD-OAQYLSRUSA-N 0 0 438.449 5.248 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CC(C)(C)C)C1 ZINC000037441951 569196950 /nfs/dbraw/zinc/19/69/50/569196950.db2.gz JXWQBCIYQBNLPU-FQEVSTJZSA-N 0 0 446.513 5.972 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037442231 569197018 /nfs/dbraw/zinc/19/70/18/569197018.db2.gz GMPVRCOIFAFTME-GOSISDBHSA-N 0 0 434.367 5.497 50 0 IKAARN Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc(NC(=O)C(C)C)ccc2N(C)C)c1 ZINC000037442421 569197020 /nfs/dbraw/zinc/19/70/20/569197020.db2.gz YIOBEWKCBNTIFQ-UHFFFAOYSA-N 0 0 443.591 5.498 50 0 IKAARN CC(C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)c1ccco1 ZINC000037442543 569197048 /nfs/dbraw/zinc/19/70/48/569197048.db2.gz YRHATAKNPZREJH-UHFFFAOYSA-N 0 0 439.943 5.302 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000037452439 569197302 /nfs/dbraw/zinc/19/73/02/569197302.db2.gz LBLHTMLEHIXPEU-DBXWQHBBSA-N 0 0 433.552 5.111 50 0 IKAARN CC(C)c1cccc(Oc2cc(C(C)(C)C)nc(SCc3ccccc3Cl)n2)c1 ZINC000037509903 569197919 /nfs/dbraw/zinc/19/79/19/569197919.db2.gz LPVVTZFIEYWDNB-UHFFFAOYSA-N 0 0 427.013 7.636 50 0 IKAARN COc1ccc(Oc2cc(C(F)(F)F)nc(SCc3ccc(F)c(F)c3)n2)cc1 ZINC000037510093 569197963 /nfs/dbraw/zinc/19/79/63/569197963.db2.gz NTPCBWIVUNXZAT-UHFFFAOYSA-N 0 0 428.382 5.867 50 0 IKAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037522166 569198257 /nfs/dbraw/zinc/19/82/57/569198257.db2.gz UFOZEHUUUNPKON-INIZCTEOSA-N 0 0 439.342 5.538 50 0 IKAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000037522162 569198287 /nfs/dbraw/zinc/19/82/87/569198287.db2.gz HREQDRSAWRFSID-INIZCTEOSA-N 0 0 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CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)cc1 ZINC000002236623 569212398 /nfs/dbraw/zinc/21/23/98/569212398.db2.gz NDYZIXTVBKQHFD-UHFFFAOYSA-N 0 0 430.914 6.726 50 0 IKAARN O=c1c2c3c(sc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000002687561 569212455 /nfs/dbraw/zinc/21/24/55/569212455.db2.gz KDBJANLAZGINHZ-UHFFFAOYSA-N 0 0 443.355 5.058 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4OC)cc2-3)cc1 ZINC000002687757 569212519 /nfs/dbraw/zinc/21/25/19/569212519.db2.gz LBCNCXFHJPWQNV-UHFFFAOYSA-N 0 0 439.515 5.667 50 0 IKAARN O=C(NCc1ccccc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000002227945 569212525 /nfs/dbraw/zinc/21/25/25/569212525.db2.gz WOJJERBNUDMKTD-OCCSQVGLSA-N 0 0 440.878 5.188 50 0 IKAARN Cc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccc(Cl)cc1 ZINC000002688719 569212605 /nfs/dbraw/zinc/21/26/05/569212605.db2.gz MTRLJDCDAHGCMN-UHFFFAOYSA-N 0 0 427.891 5.942 50 0 IKAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(C)cc4)cc2-3)OCCO5)cc1 ZINC000002688279 569212620 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5.445 50 0 IKAARN Cc1nc2c3cc4c(nc3sc2c(SCc2ccc(F)cc2)n1)CC(C)(C)OC4 ZINC000002264266 569216039 /nfs/dbraw/zinc/21/60/39/569216039.db2.gz IBPDPXJFVVELQE-UHFFFAOYSA-N 0 0 425.554 5.831 50 0 IKAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002265353 569216132 /nfs/dbraw/zinc/21/61/32/569216132.db2.gz CAVFLZMZMQKQIJ-UHFFFAOYSA-N 0 0 434.927 5.358 50 0 IKAARN Cc1ccc([C@H](CC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc2)c(O)c1C ZINC000002264898 569216149 /nfs/dbraw/zinc/21/61/49/569216149.db2.gz ODFXTFLPDRHAHD-AREMUKBSSA-N 0 0 427.588 6.159 50 0 IKAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cccc(Cl)c3)cc2oc1=O ZINC000002265076 569216181 /nfs/dbraw/zinc/21/61/81/569216181.db2.gz WVCBPIUYVVKDKL-UHFFFAOYSA-N 0 0 435.303 5.483 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000027498689 569216297 /nfs/dbraw/zinc/21/62/97/569216297.db2.gz OPSVUAFUQFDBAB-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN COc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c(OC)c1 ZINC000002266665 569216361 /nfs/dbraw/zinc/21/63/61/569216361.db2.gz FYMUBWCBEYYPJG-UHFFFAOYSA-N 0 0 426.303 6.364 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000027499929 569216427 /nfs/dbraw/zinc/21/64/27/569216427.db2.gz LMYBKBUDUSBJDY-UHFFFAOYSA-N 0 0 430.891 6.006 50 0 IKAARN CSC1=NC2=NC3=C([C@@H](c4ccccc4)Oc4ccccc43)[C@H](c3ccc(C)cc3)N2N1 ZINC000002253434 569216614 /nfs/dbraw/zinc/21/66/14/569216614.db2.gz ZCKRVNLUKYRHRJ-BJKOFHAPSA-N 0 0 438.556 5.490 50 0 IKAARN c1ccc2c(c1)cccc2OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCCC1 ZINC000002254309 569216710 /nfs/dbraw/zinc/21/67/10/569216710.db2.gz HVYYDBKYTSBYOV-UHFFFAOYSA-N 0 0 446.554 6.282 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002255050 569216743 /nfs/dbraw/zinc/21/67/43/569216743.db2.gz UPLPLZCOZIBLIY-DNQXCXABSA-N 0 0 444.897 5.592 50 0 IKAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000002255356 569216763 /nfs/dbraw/zinc/21/67/63/569216763.db2.gz LVWGRGMQWYVKHX-UYAOXDASSA-N 0 0 440.952 5.122 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)N(C)c3ccccc3)c2c2c1CCC2 ZINC000002255028 569216778 /nfs/dbraw/zinc/21/67/78/569216778.db2.gz CTXYQQYJXZZOET-UHFFFAOYSA-N 0 0 448.617 5.607 50 0 IKAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000002255355 569216812 /nfs/dbraw/zinc/21/68/12/569216812.db2.gz LVWGRGMQWYVKHX-AZUAARDMSA-N 0 0 440.952 5.122 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002255048 569216821 /nfs/dbraw/zinc/21/68/21/569216821.db2.gz UPLPLZCOZIBLIY-BJKOFHAPSA-N 0 0 444.897 5.592 50 0 IKAARN CCCCOc1ccc(-n2c3nc4ccccc4nc3nc2-c2cccc(Cl)c2)cc1 ZINC000002255457 569216831 /nfs/dbraw/zinc/21/68/31/569216831.db2.gz RZCHSGVMIXUCOP-UHFFFAOYSA-N 0 0 428.923 6.468 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000002256251 569216870 /nfs/dbraw/zinc/21/68/70/569216870.db2.gz VRKMJBZOEIIDHI-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=N2)c2ccccc2O[C@@H]1c1ccccc1F ZINC000002256304 569216885 /nfs/dbraw/zinc/21/68/85/569216885.db2.gz CSTQWRYBURWMPM-NHCUHLMSSA-N 0 0 448.548 5.761 50 0 IKAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002256142 569216887 /nfs/dbraw/zinc/21/68/87/569216887.db2.gz LVQQGWHHVQFJNP-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1Cl ZINC000002256448 569216903 /nfs/dbraw/zinc/21/69/03/569216903.db2.gz UHQSYHDFDWYKOO-UHFFFAOYSA-N 0 0 449.890 5.652 50 0 IKAARN O=C(Oc1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002256148 569216932 /nfs/dbraw/zinc/21/69/32/569216932.db2.gz YHHRQOQQPDLGSB-UHFFFAOYSA-N 0 0 438.708 6.537 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=N2)c2ccccc2O[C@H]1c1ccccc1F ZINC000002256301 569216944 /nfs/dbraw/zinc/21/69/44/569216944.db2.gz CSTQWRYBURWMPM-SFTDATJTSA-N 0 0 448.548 5.761 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=N2)c2ccccc2O[C@@H]1c1ccc(F)cc1 ZINC000002256809 569217039 /nfs/dbraw/zinc/21/70/39/569217039.db2.gz KRSKMWXPJDSVOD-LEWJYISDSA-N 0 0 448.548 5.761 50 0 IKAARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=N2)c2ccccc2O[C@@H]1c1ccc(F)cc1 ZINC000002256810 569217068 /nfs/dbraw/zinc/21/70/68/569217068.db2.gz KRSKMWXPJDSVOD-NHCUHLMSSA-N 0 0 448.548 5.761 50 0 IKAARN COc1cc2nc(-c3ccco3)n(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1OC ZINC000002270090 569217289 /nfs/dbraw/zinc/21/72/89/569217289.db2.gz JCRWZVOTWSEINA-UHFFFAOYSA-N 0 0 448.563 6.603 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 ZINC000002271267 569217564 /nfs/dbraw/zinc/21/75/64/569217564.db2.gz SGGLSWJDTGWWNY-UHFFFAOYSA-N 0 0 442.650 5.690 50 0 IKAARN CC(C)Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002271408 569217594 /nfs/dbraw/zinc/21/75/94/569217594.db2.gz IIJSMTNWRGSCDZ-QGZVFWFLSA-N 0 0 426.651 6.158 50 0 IKAARN COc1c(OC(=O)Nc2cccc3ccccc32)ccc2cnn(-c3ccccc3)c(=O)c21 ZINC000002272219 569217635 /nfs/dbraw/zinc/21/76/35/569217635.db2.gz SFAMEXAYXSLBQU-UHFFFAOYSA-N 0 0 437.455 5.158 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002272465 569217711 /nfs/dbraw/zinc/21/77/11/569217711.db2.gz RCENWKCKJYXGTH-UHFFFAOYSA-N 0 0 432.593 5.901 50 0 IKAARN COc1ccc2[nH]c(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 ZINC000002272721 569217719 /nfs/dbraw/zinc/21/77/19/569217719.db2.gz VCHPSCJKVVNDNZ-UHFFFAOYSA-N 0 0 426.582 5.847 50 0 IKAARN CCN(CC)C(=S)S[C@@H](OC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000002274470 569217743 /nfs/dbraw/zinc/21/77/43/569217743.db2.gz GSNIFNNLHKCYCK-GOSISDBHSA-N 0 0 428.406 6.209 50 0 IKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCCC3 ZINC000002275190 569217840 /nfs/dbraw/zinc/21/78/40/569217840.db2.gz ZBAOYYSRXGOFQF-UHFFFAOYSA-N 0 0 438.622 5.502 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccc(C)c(C)c2)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000002280177 569218027 /nfs/dbraw/zinc/21/80/27/569218027.db2.gz PKFPPCIQVFKNEM-UHFFFAOYSA-N 0 0 427.500 5.952 50 0 biogenic IKAARN COc1cc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)cc(OC)c1OC ZINC000027521432 569218222 /nfs/dbraw/zinc/21/82/22/569218222.db2.gz XGWRYGNOKYBBMP-UHFFFAOYSA-N 0 0 448.475 5.095 50 0 IKAARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(-c4ccccc4)cc3)oc21 ZINC000027519855 569218250 /nfs/dbraw/zinc/21/82/50/569218250.db2.gz ASGSUJKXRFKFKQ-FLWNBWAVSA-N 0 0 443.506 6.884 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccccc2Cl)cc1C ZINC000027521051 569218280 /nfs/dbraw/zinc/21/82/80/569218280.db2.gz ZKTSRPIZMKYMDV-MTJSOVHGSA-N 0 0 448.906 5.095 50 0 IKAARN Cc1ccccc1-c1nc2ccc(Cc3ccc4nc(-c5ccccc5C)oc4c3)cc2o1 ZINC000027520712 569218284 /nfs/dbraw/zinc/21/82/84/569218284.db2.gz VVWMMLSXXASCDU-UHFFFAOYSA-N 0 0 430.507 7.511 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 ZINC000027520972 569218297 /nfs/dbraw/zinc/21/82/97/569218297.db2.gz LLAVPXMKCZXQHI-VYIQYICTSA-N 0 0 446.528 5.773 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000027520968 569218327 /nfs/dbraw/zinc/21/83/27/569218327.db2.gz SFYSJPYJNRRUPJ-BZZOAKBMSA-N 0 0 430.305 6.279 50 0 IKAARN C[C@]1(c2ccccc2)CC(c2ccccc2)=C[C@](O)(c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000012384231 569256727 /nfs/dbraw/zinc/25/67/27/569256727.db2.gz WXOFSVGQZXAZRK-QAXCHELISA-N 0 0 444.574 6.819 50 0 IKAARN CC(C)Cc1ccc(-c2nn(CC(=O)c3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 ZINC000019862920 569256979 /nfs/dbraw/zinc/25/69/79/569256979.db2.gz IXVDPIQSKYBQBO-UHFFFAOYSA-N 0 0 430.935 5.798 50 0 IKAARN CN1C(=O)COc2ccc(-c3cc(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)n3)cc21 ZINC000019862868 569257037 /nfs/dbraw/zinc/25/70/37/569257037.db2.gz LYVAGQIVOJFWFD-UHFFFAOYSA-N 0 0 428.438 5.716 50 0 IKAARN O=c1c2ccccc2occ1[C@H]1Sc2ccccc2N=C2c3cc(Cl)ccc3OC[C@H]21 ZINC000019898055 569257076 /nfs/dbraw/zinc/25/70/76/569257076.db2.gz QNEDIBGQOIOQRG-NSYGIPOTSA-N 0 0 445.927 6.423 50 0 IKAARN COC(=O)c1cc2ccc1CCCCCCc1ccc(c(C(=O)OC)c1)CCCCCC2 ZINC000019908311 569257080 /nfs/dbraw/zinc/25/70/80/569257080.db2.gz BGXGAGXVORVNSU-UHFFFAOYSA-N 0 0 436.592 6.264 50 0 IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccc(C)cc3)C1[C@@H](c1ccc(C)cc1)O2 ZINC000019925976 569257108 /nfs/dbraw/zinc/25/71/08/569257108.db2.gz NSBGTHLLEVIRSY-CLJLJLNGSA-N 0 0 436.515 5.463 50 0 IKAARN O=c1c2ccccc2occ1[C@@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@@H]21 ZINC000019908420 569257113 /nfs/dbraw/zinc/25/71/13/569257113.db2.gz MLLLQSLKMPVAOG-SSOJOUAXSA-N 0 0 429.472 5.909 50 0 IKAARN O=C1COc2ccc(-c3cc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)cc2N1 ZINC000019898026 569257130 /nfs/dbraw/zinc/25/71/30/569257130.db2.gz WBCVHXMJTWOYID-UHFFFAOYSA-N 0 0 447.321 6.720 50 0 IKAARN O[C@H](c1oc2ccccc2c1-c1cnc2c(c1)COc1ccc(F)cc1-2)c1ccc(F)cc1 ZINC000019898066 569257136 /nfs/dbraw/zinc/25/71/36/569257136.db2.gz KCQKZLYDEWAHNS-SANMLTNESA-N 0 0 441.433 6.414 50 0 IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccc(C)cc3)C1[C@H](c1ccc(C)cc1)O2 ZINC000019925978 569257180 /nfs/dbraw/zinc/25/71/80/569257180.db2.gz NSBGTHLLEVIRSY-UIOOFZCWSA-N 0 0 436.515 5.463 50 0 IKAARN O=C(c1oc2ccccc2c1-c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 ZINC000019898024 569257192 /nfs/dbraw/zinc/25/71/92/569257192.db2.gz JAHUBFSREISKHT-UHFFFAOYSA-N 0 0 443.300 6.279 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000019926766 569257224 /nfs/dbraw/zinc/25/72/24/569257224.db2.gz RDGUIJIAEPEKFO-JTHBVZDNSA-N 0 0 437.312 6.139 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000019928303 569257228 /nfs/dbraw/zinc/25/72/28/569257228.db2.gz LZQDMRJLASWJJJ-BJKOFHAPSA-N 0 0 444.897 5.939 50 0 IKAARN CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccc(SC)cc1 ZINC000019927527 569257233 /nfs/dbraw/zinc/25/72/33/569257233.db2.gz HHXMZTMIGJSLTN-UHFFFAOYSA-N 0 0 445.633 5.150 50 0 IKAARN Fc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)s4)=NN32)c1 ZINC000019928224 569257259 /nfs/dbraw/zinc/25/72/59/569257259.db2.gz ZQBFTPOMQDEVCR-OXQOHEQNSA-N 0 0 429.314 5.892 50 0 IKAARN Fc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)s4)=NN32)c1 ZINC000019928220 569257282 /nfs/dbraw/zinc/25/72/82/569257282.db2.gz ZQBFTPOMQDEVCR-OXJNMPFZSA-N 0 0 429.314 5.892 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)s4)=NN32)cc1 ZINC000019928259 569257287 /nfs/dbraw/zinc/25/72/87/569257287.db2.gz GIMHENDILXJDGZ-UZLBHIALSA-N 0 0 429.314 5.892 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1OC ZINC000019928199 569257289 /nfs/dbraw/zinc/25/72/89/569257289.db2.gz MZHIGKRTMUGOIC-SQJMNOBHSA-N 0 0 434.923 5.908 50 0 IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccc(C)cc3)C1[C@H](c1ccc(F)cc1)O2 ZINC000019925985 569257300 /nfs/dbraw/zinc/25/73/00/569257300.db2.gz HBGZDWBUQGRTLB-DQEYMECFSA-N 0 0 440.478 5.294 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000019928301 569257319 /nfs/dbraw/zinc/25/73/19/569257319.db2.gz LZQDMRJLASWJJJ-DNQXCXABSA-N 0 0 444.897 5.939 50 0 IKAARN 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[C@]21C ZINC000025631429 569257356 /nfs/dbraw/zinc/25/73/56/569257356.db2.gz CWNZOPLFCKPLLI-RJYLKBEYSA-N 0 0 428.613 6.007 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000026772048 569257373 /nfs/dbraw/zinc/25/73/73/569257373.db2.gz AVKOXLQFEXCUQS-MJBUPKGFSA-N 0 0 447.575 5.447 50 0 biogenic IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccc(C)cc3)C1[C@@H](c1cccs1)O2 ZINC000019928349 569257414 /nfs/dbraw/zinc/25/74/14/569257414.db2.gz XGWNIXHKRAZZIY-XZOQPEGZSA-N 0 0 428.517 5.217 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C=C[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CCCC(C)C)[C@]1(C)CC3 ZINC000025550956 569257435 /nfs/dbraw/zinc/25/74/35/569257435.db2.gz FPJXKDXIHYNGKR-WHTVOPNJSA-N 0 0 426.685 7.880 50 0 IKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000033685940 569257662 /nfs/dbraw/zinc/25/76/62/569257662.db2.gz ISNRJHYMWLUQIR-AOXFPKCWSA-N 0 0 436.592 5.639 50 0 IKAARN 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]3CC[C@@]2(O)C1 ZINC000036371534 569257747 /nfs/dbraw/zinc/25/77/47/569257747.db2.gz XGBHFLNWQIPOQW-KTCSEJRBSA-N 0 0 446.716 7.154 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000039942565 569257899 /nfs/dbraw/zinc/25/78/99/569257899.db2.gz LALAQRGFSWBMHR-FCLOFARNSA-N 0 0 442.728 8.350 50 0 IKAARN CC(=O)N[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@H]3[C@@H](C)CCCC(C)C)[C@H]21 ZINC000043758059 569257900 /nfs/dbraw/zinc/25/79/00/569257900.db2.gz HKIHSDNRYFUGCU-XSSHXMBYSA-N 0 0 443.716 6.503 50 0 IKAARN 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 ZINC000043757759 569257902 /nfs/dbraw/zinc/25/79/02/569257902.db2.gz GCRIWPLHBVKSPY-HEHGCCNPSA-N 0 0 444.612 5.265 50 0 IKAARN CN1CCc2c3ccccc3[nH]c2[C@@]12C[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000071769195 569258598 /nfs/dbraw/zinc/25/85/98/569258598.db2.gz KZSQEBJGYVKTAF-RNAHPLFWSA-N 0 0 430.551 6.576 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)c(C#N)c(Br)n1C ZINC000142996213 569258929 /nfs/dbraw/zinc/25/89/29/569258929.db2.gz MTQVFJACIVUSLD-UHFFFAOYSA-N 0 0 439.309 5.082 50 0 IKAARN Cc1c(NC(=O)[C@@H](C)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000230510995 569259020 /nfs/dbraw/zinc/25/90/20/569259020.db2.gz GPODZKBQLJHZBJ-HNNXBMFYSA-N 0 0 426.438 6.008 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 ZINC000257347596 569263117 /nfs/dbraw/zinc/26/31/17/569263117.db2.gz MBZYKEVPFYHDOH-RGEKOYMOSA-N 0 0 428.745 8.559 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000257347597 569263127 /nfs/dbraw/zinc/26/31/27/569263127.db2.gz MBZYKEVPFYHDOH-XZJSCSIZSA-N 0 0 428.745 8.559 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(=O)Nc4ccccc4)CC[C@]32C)C1 ZINC000257347869 569263244 /nfs/dbraw/zinc/26/32/44/569263244.db2.gz XMWPQZREYSBONJ-FFASHKPPSA-N 0 0 449.635 6.526 50 0 IKAARN O=C(N/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCCCC1)c1ccccc1 ZINC000027527867 569263475 /nfs/dbraw/zinc/26/34/75/569263475.db2.gz ZOKYINDFVJWWKJ-XLNRJJMWSA-N 0 0 434.923 5.383 50 0 IKAARN CCCCCc1ccc(CC(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000027528043 569263500 /nfs/dbraw/zinc/26/35/00/569263500.db2.gz VUTKRLRKCPEAHF-UHFFFAOYSA-N 0 0 443.522 5.248 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000027528336 569263575 /nfs/dbraw/zinc/26/35/75/569263575.db2.gz GBXLIPZZFDASPO-UHFFFAOYSA-N 0 0 428.879 5.245 50 0 IKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000027528340 569263586 /nfs/dbraw/zinc/26/35/86/569263586.db2.gz IZULKTIONLAXQY-UHFFFAOYSA-N 0 0 441.318 5.362 50 0 IKAARN CC(C)(C)C1CCC(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)CC1 ZINC000027528445 569263597 /nfs/dbraw/zinc/26/35/97/569263597.db2.gz SJQCAPMOBNXGIW-UHFFFAOYSA-N 0 0 437.971 5.640 50 0 IKAARN CCOC(=O)c1c2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2oc1C(C)(C)C ZINC000002284233 569263704 /nfs/dbraw/zinc/26/37/04/569263704.db2.gz TXLBESFAHYKXPT-UHFFFAOYSA-N 0 0 442.380 6.182 50 0 IKAARN CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc32)cc1 ZINC000002284351 569263727 /nfs/dbraw/zinc/26/37/27/569263727.db2.gz MHOYSAHTTCJTST-UHFFFAOYSA-N 0 0 444.510 5.427 50 0 IKAARN CCCCc1nc2sc3c(ncnc3SCC(=O)N3CCCCC3)c2c2c1CCC2 ZINC000002284258 569263748 /nfs/dbraw/zinc/26/37/48/569263748.db2.gz VVDVDNRRHNRIBU-UHFFFAOYSA-N 0 0 440.638 5.175 50 0 IKAARN 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]3C[C@H](O)[C@]21C ZINC000257356109 569263855 /nfs/dbraw/zinc/26/38/55/569263855.db2.gz FVYCOKNQUSFTBH-VDRIKBFUSA-N 0 0 448.644 5.137 50 0 IKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]21C ZINC000257356820 569263870 /nfs/dbraw/zinc/26/38/70/569263870.db2.gz KNHGHMDIHVHLKX-IUQWPSFGSA-N 0 0 446.628 5.345 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1c(Cl)cccc1Cl)COC(C)(C)C2 ZINC000002286464 569263938 /nfs/dbraw/zinc/26/39/38/569263938.db2.gz TVPXTCJOEMNAOM-UHFFFAOYSA-N 0 0 442.364 5.264 50 0 IKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)COc1ccccc1C)c1ccccc21 ZINC000002288014 569263962 /nfs/dbraw/zinc/26/39/62/569263962.db2.gz MJOUHMFKIMXWRP-UHFFFAOYSA-N 0 0 431.488 5.109 50 0 IKAARN CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccccc3F)c3ccccc3c21 ZINC000002288402 569264106 /nfs/dbraw/zinc/26/41/06/569264106.db2.gz HRNHIFDYXJHCPN-UHFFFAOYSA-N 0 0 447.506 6.438 50 0 IKAARN Cc1cc(CSc2nc3ccccc3o2)c(C)cc1CSc1nc2ccccc2o1 ZINC000002288804 569264214 /nfs/dbraw/zinc/26/42/14/569264214.db2.gz MSPIIJJPNIGEII-UHFFFAOYSA-N 0 0 432.570 7.170 50 0 IKAARN CSc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000253396225 569264569 /nfs/dbraw/zinc/26/45/69/569264569.db2.gz AXJCKGKHGXKXGE-QFIPXVFZSA-N 0 0 431.561 5.144 50 0 biogenic IKAARN Cc1occc1-c1nnc(SC[C@H]2CCN(C(=O)c3ccccc3)C2)n1-c1ccccc1 ZINC000253398018 569264683 /nfs/dbraw/zinc/26/46/83/569264683.db2.gz JTJZOGGHSFJXDR-IBGZPJMESA-N 0 0 444.560 5.090 50 0 IKAARN O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc32)O1 ZINC000253397341 569264711 /nfs/dbraw/zinc/26/47/11/569264711.db2.gz BKBDNQKJRHKZSQ-HXUWFJFHSA-N 0 0 440.426 5.468 50 0 biogenic IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000253398195 569264716 /nfs/dbraw/zinc/26/47/16/569264716.db2.gz GSBLLUXTFMAIED-OAQYLSRUSA-N 0 0 444.965 5.092 50 0 IKAARN CCCOc1c(Br)cc(Br)cc1C=C1SC(=S)NC1=O ZINC000027532019 569266420 /nfs/dbraw/zinc/26/64/20/569266420.db2.gz QWNLQEMXPNYNLI-YHYXMXQVSA-N 0 0 437.178 5.330 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000027531216 569265970 /nfs/dbraw/zinc/26/59/70/569265970.db2.gz FWGVQFWDTFEPQC-UHFFFAOYSA-N 0 0 444.535 5.053 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000027532247 569266490 /nfs/dbraw/zinc/26/64/90/569266490.db2.gz KTMHLFFFCICCMO-UHFFFAOYSA-N 0 0 449.510 5.608 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1S(=O)(=O)c1ccccc1C ZINC000253426715 569267364 /nfs/dbraw/zinc/26/73/64/569267364.db2.gz IILRWZVDJABZPJ-NRFANRHFSA-N 0 0 440.952 5.197 50 0 IKAARN C[C@@](O)(c1nc(-c2cccnc2Oc2ccccc2)no1)c1cccc(C(F)(F)F)c1 ZINC000253427907 569267529 /nfs/dbraw/zinc/26/75/29/569267529.db2.gz BELUJHPQCVSPDS-NRFANRHFSA-N 0 0 427.382 5.199 50 0 IKAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002291177 569267875 /nfs/dbraw/zinc/26/78/75/569267875.db2.gz KVKUZVPHVRAQOT-UHFFFAOYSA-N 0 0 443.595 5.678 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc32)cc1 ZINC000002290798 569267894 /nfs/dbraw/zinc/26/78/94/569267894.db2.gz ZUAWLWUYQQGCSL-UHFFFAOYSA-N 0 0 439.494 5.109 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)cc1C ZINC000002290934 569267913 /nfs/dbraw/zinc/26/79/13/569267913.db2.gz YCJAJTDYTHYETO-UHFFFAOYSA-N 0 0 439.563 5.393 50 0 IKAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002291103 569267937 /nfs/dbraw/zinc/26/79/37/569267937.db2.gz VXCULEOIPMIRIL-UHFFFAOYSA-N 0 0 439.563 5.030 50 0 IKAARN CCOC(=O)c1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1 ZINC000002291657 569268031 /nfs/dbraw/zinc/26/80/31/569268031.db2.gz CPSIKUWPLMKRRK-UHFFFAOYSA-N 0 0 433.347 5.820 50 0 IKAARN C[C@H](NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002291646 569268033 /nfs/dbraw/zinc/26/80/33/569268033.db2.gz RUXBKXBABPGZEG-HNNXBMFYSA-N 0 0 441.922 5.300 50 0 IKAARN C[C@@H](NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002291647 569268035 /nfs/dbraw/zinc/26/80/35/569268035.db2.gz RUXBKXBABPGZEG-OAHLLOKOSA-N 0 0 441.922 5.300 50 0 IKAARN CCOc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 ZINC000002291913 569268043 /nfs/dbraw/zinc/26/80/43/569268043.db2.gz YIERMLUTSKJFRP-UHFFFAOYSA-N 0 0 438.247 7.070 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NCc1ccccc1 ZINC000002296052 569268121 /nfs/dbraw/zinc/26/81/21/569268121.db2.gz RRNYCFRGPRCCIF-UHFFFAOYSA-N 0 0 442.544 5.963 50 0 IKAARN COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000002292876 569268265 /nfs/dbraw/zinc/26/82/65/569268265.db2.gz QRXICAQHVSTIDH-HNNXBMFYSA-N 0 0 428.623 5.719 50 0 IKAARN CCCCCOC(=O)CSc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002297110 569268293 /nfs/dbraw/zinc/26/82/93/569268293.db2.gz APNQLZIJBOSAGV-UHFFFAOYSA-N 0 0 426.607 6.063 50 0 IKAARN CCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000002297815 569268416 /nfs/dbraw/zinc/26/84/16/569268416.db2.gz LFVXDYPAOAPNGW-UHFFFAOYSA-N 0 0 429.655 6.716 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC(C)(C)OC3 ZINC000002297548 569268433 /nfs/dbraw/zinc/26/84/33/569268433.db2.gz FPHZAZAWQNCTMH-UHFFFAOYSA-N 0 0 444.622 5.589 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000239174459 569268627 /nfs/dbraw/zinc/26/86/27/569268627.db2.gz QBBBQKLXRHRJKQ-CKRZHRKOSA-N 0 0 425.484 5.282 50 0 IKAARN CC(C)(C)[C@H]1C[C@H](C(=O)Oc2ccc(I)cc2)C[C@@H](C(C)(C)C)C1 ZINC000239174098 569268637 /nfs/dbraw/zinc/26/86/37/569268637.db2.gz PGRQESGPGKWUSM-PHZGNYQRSA-N 0 0 442.381 6.321 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)c2)cc1 ZINC000239125171 569268662 /nfs/dbraw/zinc/26/86/62/569268662.db2.gz KARCJUPLQAHYHT-FTBPSBKWSA-N 0 0 438.527 5.321 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 ZINC000239030913 569268672 /nfs/dbraw/zinc/26/86/72/569268672.db2.gz COHHINVPZAHRJL-QATBIIFWSA-N 0 0 449.547 5.504 50 0 biogenic IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000239328996 569268721 /nfs/dbraw/zinc/26/87/21/569268721.db2.gz KAEZAQFUKSATGV-UPVQGACJSA-N 0 0 439.342 6.634 50 0 IKAARN C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@H](C)C2 ZINC000239235613 569268722 /nfs/dbraw/zinc/26/87/22/569268722.db2.gz WHUDWKMLMXDFHW-JKSUJKDBSA-N 0 0 443.588 5.077 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1OC ZINC000239309204 569268792 /nfs/dbraw/zinc/26/87/92/569268792.db2.gz HHHQUJJJCOQYRW-KCWPFWIISA-N 0 0 442.559 6.244 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000239306283 569268806 /nfs/dbraw/zinc/26/88/06/569268806.db2.gz GQZDRMWOMQJXQC-BDYUSTAISA-N 0 0 428.532 6.116 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000239310100 569268815 /nfs/dbraw/zinc/26/88/15/569268815.db2.gz IBKYNEFOMSOAHD-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@H]2C1 ZINC000239403038 569268865 /nfs/dbraw/zinc/26/88/65/569268865.db2.gz RLDHEJRFLYLOHX-JLZZUVOBSA-N 0 0 432.303 5.138 50 0 IKAARN Cc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]2C)c1 ZINC000241132817 569269070 /nfs/dbraw/zinc/26/90/70/569269070.db2.gz JLYCXJWRLSBINT-DHIUTWEWSA-N 0 0 443.591 5.112 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000239433577 569269074 /nfs/dbraw/zinc/26/90/74/569269074.db2.gz YATKPBYGTXMBDD-GGAORHGYSA-N 0 0 425.370 6.207 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000239434032 569269076 /nfs/dbraw/zinc/26/90/76/569269076.db2.gz YXHIZMKPEVXIID-UPVQGACJSA-N 0 0 449.348 6.090 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cccs2)cc1 ZINC000239439087 569269087 /nfs/dbraw/zinc/26/90/87/569269087.db2.gz ZJYRRBQMBRDXAG-RXVVDRJESA-N 0 0 431.344 6.306 50 0 IKAARN COc1cccc(C2=NN(C(=O)c3cccc(Br)c3)[C@@H](c3ccccc3)C2)c1 ZINC000242304970 569269124 /nfs/dbraw/zinc/26/91/24/569269124.db2.gz YTRQDGMNKQIRJQ-JOCHJYFZSA-N 0 0 435.321 5.449 50 0 IKAARN COCOc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 ZINC000242140833 569269143 /nfs/dbraw/zinc/26/91/43/569269143.db2.gz WPQGPHJBNMLATF-UHFFFAOYSA-N 0 0 430.508 5.223 50 0 IKAARN Cc1ccccc1[C@H]1CC(c2cccc(N(C)C)c2)=NN1C(=S)NCc1ccccc1 ZINC000241707063 569269150 /nfs/dbraw/zinc/26/91/50/569269150.db2.gz QMIALGYQZVIOMQ-RUZDIDTESA-N 0 0 428.605 5.287 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@@H]4CCCC[C@H]4c4sccc43)cc2)cc1 ZINC000245226282 569269422 /nfs/dbraw/zinc/26/94/22/569269422.db2.gz OIHIHXHRQAFSFC-MZYLBHOOSA-N 0 0 440.586 5.970 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)c2ccco2)c1 ZINC000245226388 569269425 /nfs/dbraw/zinc/26/94/25/569269425.db2.gz UOWXKHBODKGGSD-RRQZXNHTSA-N 0 0 433.504 5.695 50 0 IKAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000245232265 569269563 /nfs/dbraw/zinc/26/95/63/569269563.db2.gz SDYDJBWUOMWXJC-XDTLVQLUSA-N 0 0 435.277 5.379 50 0 IKAARN CCc1ccccc1[C@H](CC(=O)OC)N[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245253963 569269709 /nfs/dbraw/zinc/26/97/09/569269709.db2.gz VIRAINOWLHFODO-XOBKDUMGSA-N 0 0 448.607 5.422 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2c(Cl)cccc2Cl)cc1 ZINC000245246498 569269716 /nfs/dbraw/zinc/26/97/16/569269716.db2.gz MXKCJPDXAAMLJF-REWPJTCUSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(F)c2)cc1OC ZINC000245257062 569269729 /nfs/dbraw/zinc/26/97/29/569269729.db2.gz WCOMJRICIWCVNA-RDPSFJRHSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1OC ZINC000245310106 569269813 /nfs/dbraw/zinc/26/98/13/569269813.db2.gz HTAPSKIIIZCKDT-VGSWGCGISA-N 0 0 426.925 5.661 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000245380073 569269938 /nfs/dbraw/zinc/26/99/38/569269938.db2.gz QHOASVHSWVUMND-RDGATRHJSA-N 0 0 432.907 5.410 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000245380441 569269941 /nfs/dbraw/zinc/26/99/41/569269941.db2.gz ZFVAGRNVSJGZSJ-GMAHTHKFSA-N 0 0 435.321 5.700 50 0 IKAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@H]12 ZINC000247999660 569270261 /nfs/dbraw/zinc/27/02/61/569270261.db2.gz FIGLBODDVBPGOD-GMAHTHKFSA-N 0 0 438.369 5.082 50 0 IKAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CC[C@H](Cc3ccccc3)C[C@@H]12 ZINC000248053097 569270389 /nfs/dbraw/zinc/27/03/89/569270389.db2.gz 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O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@H](c1ccccc1)C1CCCC1 ZINC000002300850 569271374 /nfs/dbraw/zinc/27/13/74/569271374.db2.gz QVJFJQBKRUBPAD-JWQCQUIFSA-N 0 0 448.404 6.629 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@@H](c1ccccc1)C1CCCC1 ZINC000002300848 569271451 /nfs/dbraw/zinc/27/14/51/569271451.db2.gz QVJFJQBKRUBPAD-LOSJGSFVSA-N 0 0 448.404 6.629 50 0 IKAARN CC1=C(OC(=O)c2ccc(Br)cc2)C(C)(C)[C@H](c2ccc(Cl)cc2)OC1=O ZINC000002304046 569271544 /nfs/dbraw/zinc/27/15/44/569271544.db2.gz IKAZLGKWTWSIQA-SFHVURJKSA-N 0 0 449.728 5.858 50 0 IKAARN O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002305483 569271636 /nfs/dbraw/zinc/27/16/36/569271636.db2.gz TVPBGVRLADZYID-HOCLYGCPSA-N 0 0 440.878 5.188 50 0 IKAARN O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002305482 569271661 /nfs/dbraw/zinc/27/16/61/569271661.db2.gz TVPBGVRLADZYID-GDBMZVCRSA-N 0 0 440.878 5.188 50 0 IKAARN Cc1sc2nc(SCc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1C ZINC000002304498 569271731 /nfs/dbraw/zinc/27/17/31/569271731.db2.gz LTBXTFMVMWQJIR-UHFFFAOYSA-N 0 0 447.412 6.663 50 0 IKAARN Cc1cc(Cl)ccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000002308638 569272152 /nfs/dbraw/zinc/27/21/52/569272152.db2.gz PVAAMEYQKHCRCD-UHFFFAOYSA-N 0 0 439.342 6.148 50 0 IKAARN Cc1ccc(S(=O)(=O)NCC[C@H](Cc2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002317354 569272438 /nfs/dbraw/zinc/27/24/38/569272438.db2.gz BAUNNWNDLVQBEF-XMMPIXPASA-N 0 0 437.605 5.477 50 0 IKAARN COc1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1OC ZINC000002315910 569272446 /nfs/dbraw/zinc/27/24/46/569272446.db2.gz IZRPJCGWJUYYOJ-UHFFFAOYSA-N 0 0 436.555 6.429 50 0 IKAARN CC(C)(C)c1cc2c3cc(C(=O)C(F)(F)F)cc(C(C)(C)C)c3[nH]c2c(C(C)(C)C)c1 ZINC000002316393 569272468 /nfs/dbraw/zinc/27/24/68/569272468.db2.gz VAKIFTXCAWJUPT-UHFFFAOYSA-N 0 0 431.542 7.959 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000253493370 569272753 /nfs/dbraw/zinc/27/27/53/569272753.db2.gz TUUJJXLBOOVUJA-IRLDBZIGSA-N 0 0 445.788 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/nfs/dbraw/zinc/27/30/20/569273020.db2.gz WHQRSVDLJNJCEK-XIHHMADASA-N 0 0 449.462 6.751 50 0 IKAARN 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)[C@@H]2O ZINC000253508577 569273044 /nfs/dbraw/zinc/27/30/44/569273044.db2.gz WHQRSVDLJNJCEK-JLJIAMMASA-N 0 0 449.462 6.751 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000002313651 569273063 /nfs/dbraw/zinc/27/30/63/569273063.db2.gz HOGGSCOXWNCMLC-FPYGCLRLSA-N 0 0 434.908 5.070 50 0 IKAARN S=C(Nc1nc2ccccc2n1Cc1ccc(Br)cc1)Nc1ccccc1 ZINC000027570054 569273130 /nfs/dbraw/zinc/27/31/30/569273130.db2.gz XECOWYCQNAYPNA-UHFFFAOYSA-N 0 0 437.366 5.656 50 0 IKAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4C[C@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000253590792 569273283 /nfs/dbraw/zinc/27/32/83/569273283.db2.gz KEOLCBLQBIWDBI-KYVVDENPSA-N 0 0 446.672 5.155 50 0 IKAARN Cc1ccc(-c2onc3ccc(Sc4ccc5noc(-c6ccc(C)cc6)c5c4)cc32)cc1 ZINC000002319142 569273431 /nfs/dbraw/zinc/27/34/31/569273431.db2.gz WYVYUIICJOTFIQ-UHFFFAOYSA-N 0 0 448.547 8.071 50 0 IKAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000253612357 569273452 /nfs/dbraw/zinc/27/34/52/569273452.db2.gz KNHGHMDIHVHLKX-CUMFBSESSA-N 0 0 446.628 5.345 50 0 IKAARN 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]3CC(=O)[C@]21C ZINC000253614054 569273457 /nfs/dbraw/zinc/27/34/57/569273457.db2.gz XHQVLSIVZIPGLE-MZEIAKMYSA-N 0 0 446.628 5.345 50 0 IKAARN 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]3C[C@H](O)[C@@]21C ZINC000253614017 569273481 /nfs/dbraw/zinc/27/34/81/569273481.db2.gz FVYCOKNQUSFTBH-BKIWMPOTSA-N 0 0 448.644 5.137 50 0 IKAARN COc1ccc(NC(=O)c2c(N)n(-c3cc(C)cc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002318821 569273485 /nfs/dbraw/zinc/27/34/85/569273485.db2.gz YRMFJHJBEKPMAM-UHFFFAOYSA-N 0 0 437.503 5.034 50 0 IKAARN CC[C@@H]1CCCC[N@@H+]1C[C@@H](C(C)=O)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000254224105 569273703 /nfs/dbraw/zinc/27/37/03/569273703.db2.gz NMNHSZRPCOBOLX-SFLYRZDNSA-N 0 0 433.548 5.100 50 0 IKAARN COc1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000027572830 569273720 /nfs/dbraw/zinc/27/37/20/569273720.db2.gz QORFHYRSIBSXCJ-KGENOOAVSA-N 0 0 438.405 5.354 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3cc4cccc(C)c4nc3Sc3ccccc3)C(=O)O2)cc1 ZINC000027572888 569273721 /nfs/dbraw/zinc/27/37/21/569273721.db2.gz SNAUTVHIFQNJSJ-XQNSMLJCSA-N 0 0 436.536 6.347 50 0 IKAARN CC(=O)O[C@@H]1CCC[C@@]2(C)[C@H]1CC[C@@H]1[C@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@H]12 ZINC000254423533 569273785 /nfs/dbraw/zinc/27/37/85/569273785.db2.gz PKUJASLHJROUFW-UVDZKJBDSA-N 0 0 430.717 8.039 50 0 IKAARN Cc1ccc(Sc2nc3ccccc3cc2/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 ZINC000027572998 569273820 /nfs/dbraw/zinc/27/38/20/569273820.db2.gz LTBJALCYCDCQDQ-LFVJCYFKSA-N 0 0 436.536 6.347 50 0 IKAARN 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569283554 /nfs/dbraw/zinc/28/35/54/569283554.db2.gz JGOUTYDFTLEQJT-UHFFFAOYSA-N 0 0 432.907 5.962 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2F)cc1 ZINC000299804303 569283634 /nfs/dbraw/zinc/28/36/34/569283634.db2.gz RDGUIJIAEPEKFO-GGAORHGYSA-N 0 0 437.312 6.139 50 0 IKAARN CC[C@@H](CCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000299803853 569283688 /nfs/dbraw/zinc/28/36/88/569283688.db2.gz HIIBKNHITKHXER-VTNDMTTASA-N 0 0 442.728 8.350 50 0 IKAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4C[C@@H](C)[C@@]5(O)C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000299804226 569283725 /nfs/dbraw/zinc/28/37/25/569283725.db2.gz KEOLCBLQBIWDBI-LQJWQWSPSA-N 0 0 446.672 5.155 50 0 IKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000253533911 569284021 /nfs/dbraw/zinc/28/40/21/569284021.db2.gz UMAHQZNUPCXKFC-XJVQEDDGSA-N 0 0 438.608 5.998 50 0 IKAARN Cn1c(=N)n(CC(=O)c2ccc(-c3ccccc3)cc2)cc1-c1ccc(Br)cc1 ZINC000334157485 569285686 /nfs/dbraw/zinc/28/56/86/569285686.db2.gz AFANJVVOXUNTBV-UHFFFAOYSA-N 0 0 446.348 5.285 50 0 IKAARN Cc1cc2c(cc1-c1c(C)oc3c(C)c(OCc4ccccc4)ccc3c1=O)OCCO2 ZINC000002353822 569285812 /nfs/dbraw/zinc/28/58/12/569285812.db2.gz BDQGAAYMAYPASY-UHFFFAOYSA-N 0 0 428.484 5.735 50 0 IKAARN COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2Cc2ccccc2)c1 ZINC000334163435 569285826 /nfs/dbraw/zinc/28/58/26/569285826.db2.gz SBMOJEOJJMYOLT-HSZRJFAPSA-N 0 0 426.516 5.716 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002354502 569285873 /nfs/dbraw/zinc/28/58/73/569285873.db2.gz NSLYFKLCKKAWIO-SFHVURJKSA-N 0 0 435.531 5.264 50 0 IKAARN Cc1ccc(CSc2nnc(-c3cc4ccccc4o3)n2Cc2ccccc2)c(C)c1 ZINC000002355859 569285912 /nfs/dbraw/zinc/28/59/12/569285912.db2.gz FUUKXZWJSMRQLK-UHFFFAOYSA-N 0 0 425.557 6.649 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)c1 ZINC000002355800 569285981 /nfs/dbraw/zinc/28/59/81/569285981.db2.gz SNHKAOFIVYHERF-UHFFFAOYSA-N 0 0 442.372 5.009 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2ccncc2)cc1 ZINC000002358984 569286152 /nfs/dbraw/zinc/28/61/52/569286152.db2.gz ZOIBYULTJZFDFV-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 ZINC000002360286 569286792 /nfs/dbraw/zinc/28/67/92/569286792.db2.gz PTPYUTFVMLPNQL-KRWDZBQOSA-N 0 0 440.678 6.799 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000002361068 569286838 /nfs/dbraw/zinc/28/68/38/569286838.db2.gz JGSRVEJWRTVZMR-ABAIWWIYSA-N 0 0 429.945 5.766 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000002361770 569287687 /nfs/dbraw/zinc/28/76/87/569287687.db2.gz IRPPTIRERIWTHX-UHFFFAOYSA-N 0 0 439.817 5.973 50 0 IKAARN COCCn1cc(CCCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000252497690 569287979 /nfs/dbraw/zinc/28/79/79/569287979.db2.gz QNBIFXDGEZKZQK-RUZDIDTESA-N 0 0 444.579 5.241 50 0 IKAARN COc1ccc2c(ccn2CCC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000252490672 569287994 /nfs/dbraw/zinc/28/79/94/569287994.db2.gz KYVRUPYLQROBNI-DEOSSOPVSA-N 0 0 438.531 5.017 50 0 IKAARN CCOC(=O)c1c2cc(O[C@H](C(=O)OCC)c3ccccc3)ccc2oc1-c1ccccc1 ZINC000002365212 569288304 /nfs/dbraw/zinc/28/83/04/569288304.db2.gz CZWAPJGCOPFESX-VWLOTQADSA-N 0 0 444.483 5.960 50 0 IKAARN CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000002367080 569288607 /nfs/dbraw/zinc/28/86/07/569288607.db2.gz QGGZIEOKSYEZIT-RXFWQSSRSA-N 0 0 440.318 5.172 50 0 IKAARN O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1cccc2ccccc21 ZINC000002368796 569288772 /nfs/dbraw/zinc/28/87/72/569288772.db2.gz WMHOCKHQIKDKMC-UHFFFAOYSA-N 0 0 426.566 6.994 50 0 IKAARN CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(=O)oc2c1 ZINC000002372523 569289210 /nfs/dbraw/zinc/28/92/10/569289210.db2.gz SLMHSAJWXSQFDJ-UHFFFAOYSA-N 0 0 439.492 6.176 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 ZINC000002373984 569289257 /nfs/dbraw/zinc/28/92/57/569289257.db2.gz MVJSEWCZIZXKTC-UHFFFAOYSA-N 0 0 437.613 5.030 50 0 IKAARN CCn1c(=O)c2c(nc1SCC(=O)c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000002372516 569289258 /nfs/dbraw/zinc/28/92/58/569289258.db2.gz IBURHXXHEUUBRK-UHFFFAOYSA-N 0 0 430.573 5.273 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cc(C)cc(C)c2C)cc1 ZINC000002375744 569289280 /nfs/dbraw/zinc/28/92/80/569289280.db2.gz WJAQZOWXNAMMKC-UHFFFAOYSA-N 0 0 442.559 5.857 50 0 IKAARN CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(N(CC)CC)cc2)c2nc3ccccc3nc12 ZINC000002375363 569289287 /nfs/dbraw/zinc/28/92/87/569289287.db2.gz LKDATXUJHDZDIC-KRWDZBQOSA-N 0 0 445.567 5.205 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccs1 ZINC000002376641 569289396 /nfs/dbraw/zinc/28/93/96/569289396.db2.gz URYBELGSPAHYQV-UHFFFAOYSA-N 0 0 425.560 5.160 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCc4c(Cl)cccc4Cl)ccc23)cc1 ZINC000002377094 569289515 /nfs/dbraw/zinc/28/95/15/569289515.db2.gz CRKMIFYRZXMUPB-UHFFFAOYSA-N 0 0 441.310 6.663 50 0 IKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O ZINC000002377470 569289558 /nfs/dbraw/zinc/28/95/58/569289558.db2.gz CMZFJJQTSKBUDW-UHFFFAOYSA-N 0 0 440.854 6.274 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(c1nncs1)C3=O ZINC000002377802 569289560 /nfs/dbraw/zinc/28/95/60/569289560.db2.gz VRWAZTHOSRSSMK-INIZCTEOSA-N 0 0 444.299 5.010 50 0 IKAARN CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1F ZINC000002380206 569290206 /nfs/dbraw/zinc/29/02/06/569290206.db2.gz QRAKUKZKAKDXCX-QABMSTFYSA-N 0 0 426.472 6.031 50 0 IKAARN Cc1cccc2sc(NC(=O)c3sc4nc5c(c(C(F)(F)F)c4c3N)CCC5)nc21 ZINC000008783656 569290619 /nfs/dbraw/zinc/29/06/19/569290619.db2.gz APLUJYVEGWUJNV-UHFFFAOYSA-N 0 0 448.495 5.556 50 0 IKAARN Cc1ccc(CSc2nnc(C[S@](=O)Cc3c(Cl)cccc3Cl)n2C)cc1 ZINC000008855293 569291218 /nfs/dbraw/zinc/29/12/18/569291218.db2.gz QQGYKTAYQFQZMB-MHZLTWQESA-N 0 0 440.421 5.172 50 0 IKAARN O=C(c1oc2ccccc2c1C[S@@](=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000008857017 569291278 /nfs/dbraw/zinc/29/12/78/569291278.db2.gz ZTSSTXCLTNSOBX-PMERELPUSA-N 0 0 428.431 5.990 50 0 IKAARN FC(F)(F)c1cccc(Sc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)c1 ZINC000008855494 569291355 /nfs/dbraw/zinc/29/13/55/569291355.db2.gz HSBDMEMTLUBUCM-UHFFFAOYSA-N 0 0 449.419 8.091 50 0 IKAARN FC(F)(F)c1cccc(COn2c3cc(Cl)ccc3nc2-c2ccc(Cl)cc2)c1 ZINC000008855387 569291357 /nfs/dbraw/zinc/29/13/57/569291357.db2.gz ZSCQSIYLHYFCTN-UHFFFAOYSA-N 0 0 437.248 6.658 50 0 IKAARN O=C(O[C@@H](CSc1nccn1-c1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000008857264 569291390 /nfs/dbraw/zinc/29/13/90/569291390.db2.gz DCWQDMHWRYXWRY-INIZCTEOSA-N 0 0 426.847 5.406 50 0 IKAARN O=S(=O)(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000008857292 569291422 /nfs/dbraw/zinc/29/14/22/569291422.db2.gz CZSYJWGANAEJRY-VGOFMYFVSA-N 0 0 426.950 5.921 50 0 IKAARN Cn1c(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008857055 569291424 /nfs/dbraw/zinc/29/14/24/569291424.db2.gz PDDZMDIZKJUSFP-UHFFFAOYSA-N 0 0 425.384 7.353 50 0 IKAARN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1cccc(C(F)(F)F)c1 ZINC000008873055 569291681 /nfs/dbraw/zinc/29/16/81/569291681.db2.gz MAYQKWKVOGMEGZ-UHFFFAOYSA-N 0 0 426.265 6.121 50 0 IKAARN Cc1ccc(Oc2cc(S(=O)(=O)c3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 ZINC000008873422 569291736 /nfs/dbraw/zinc/29/17/36/569291736.db2.gz KUQSNVLTFLCDIW-UHFFFAOYSA-N 0 0 436.920 5.731 50 0 IKAARN Clc1ccc(CSc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 ZINC000008873877 569291773 /nfs/dbraw/zinc/29/17/73/569291773.db2.gz RNFROMFEWXZRIE-UHFFFAOYSA-N 0 0 447.456 7.247 50 0 IKAARN Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)cc2-c2ccc(Cl)cc2)cc1 ZINC000008888288 569291961 /nfs/dbraw/zinc/29/19/61/569291961.db2.gz JPDWBJVRMLRCSG-UHFFFAOYSA-N 0 0 436.342 6.715 50 0 IKAARN COc1ccc(N2C(=O)[C@H](CSc3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000008888277 569291984 /nfs/dbraw/zinc/29/19/84/569291984.db2.gz PXQZVWQDPVVHKV-JWQCQUIFSA-N 0 0 431.601 6.489 50 0 IKAARN O=S(=O)(c1ccc(F)cc1)n1ccc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000008888401 569292011 /nfs/dbraw/zinc/29/20/11/569292011.db2.gz XQLKFEKRZJIMJP-UHFFFAOYSA-N 0 0 442.899 5.159 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](CSc3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2)cc1 ZINC000008925833 569292434 /nfs/dbraw/zinc/29/24/34/569292434.db2.gz ZIPSXGCDAIGLJZ-YADHBBJMSA-N 0 0 427.491 6.510 50 0 IKAARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C(C)C)cc1 ZINC000002382235 569292689 /nfs/dbraw/zinc/29/26/89/569292689.db2.gz NPUUTMCKYKDDCB-SUYBVONHSA-N 0 0 436.536 6.627 50 0 IKAARN CCCCCCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002383079 569293739 /nfs/dbraw/zinc/29/37/39/569293739.db2.gz VYRZAHGQYCFFJZ-UHFFFAOYSA-N 0 0 436.943 5.606 50 0 IKAARN CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000002384511 569294225 /nfs/dbraw/zinc/29/42/25/569294225.db2.gz SBVROASOQQIFJD-HLADLETHSA-N 0 0 442.927 6.545 50 0 IKAARN CSc1nc(=S)c2sc3nc(-c4ccccc4)c4c(c3c2[nH]1)CC(C)(C)OC4 ZINC000002384373 569294259 /nfs/dbraw/zinc/29/42/59/569294259.db2.gz IJNWTKBWDSDAIR-UHFFFAOYSA-N 0 0 425.604 5.768 50 0 IKAARN CCCCCCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002386652 569295122 /nfs/dbraw/zinc/29/51/22/569295122.db2.gz BRARSXZFMNBSCZ-UHFFFAOYSA-N 0 0 440.906 5.686 50 0 IKAARN CC[C@@H](C)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002388090 569295379 /nfs/dbraw/zinc/29/53/79/569295379.db2.gz WZYIZVNEHGVWOK-QGZVFWFLSA-N 0 0 442.563 6.159 50 0 IKAARN CC[C@]1(C)Cc2ccccc2-c2nc(SCCC(C)C)n(CCc3ccccc3)c(=O)c21 ZINC000002392152 569298009 /nfs/dbraw/zinc/29/80/09/569298009.db2.gz ZLJRUXPGTDLMAP-MUUNZHRXSA-N 0 0 446.660 6.515 50 0 IKAARN CCCSc1nc2sc3c(c2c(NCCc2ccccc2)n1)C[C@@](C)(CC)OC3 ZINC000002395013 569298302 /nfs/dbraw/zinc/29/83/02/569298302.db2.gz OQWQLSONQYWFQJ-HSZRJFAPSA-N 0 0 427.639 6.089 50 0 IKAARN CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002399630 569298970 /nfs/dbraw/zinc/29/89/70/569298970.db2.gz SCOKLZMANQWSPK-JOCHJYFZSA-N 0 0 433.891 5.908 50 0 IKAARN CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002399958 569299145 /nfs/dbraw/zinc/29/91/45/569299145.db2.gz YRHGQWHOGNYDPR-GCJKJVERSA-N 0 0 437.923 5.294 50 0 IKAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1Br)c2=O ZINC000002400199 569299173 /nfs/dbraw/zinc/29/91/73/569299173.db2.gz MGPJKSLPUWOBKC-UHFFFAOYSA-N 0 0 443.171 5.292 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OC(=O)c4ccccc4)cc3oc2C(F)(F)F)cc1 ZINC000002402676 569299726 /nfs/dbraw/zinc/29/97/26/569299726.db2.gz DSAYFDYKVJOPPL-UHFFFAOYSA-N 0 0 440.373 5.707 50 0 IKAARN O=C(Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccc(-c2ccccc2)cc1 ZINC000002404491 569300001 /nfs/dbraw/zinc/30/00/01/569300001.db2.gz FXLFYUWVGUGKPD-NRFANRHFSA-N 0 0 437.474 5.448 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002405530 569300099 /nfs/dbraw/zinc/30/00/99/569300099.db2.gz BSXNBIBBHQASKV-FQEVSTJZSA-N 0 0 446.330 5.460 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002406488 569300246 /nfs/dbraw/zinc/30/02/46/569300246.db2.gz AHTBHIBBFDTPNO-JOCHJYFZSA-N 0 0 437.561 5.184 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(C)cc2)cc1 ZINC000002409413 569300474 /nfs/dbraw/zinc/30/04/74/569300474.db2.gz ZUKNXGCUODGHHV-UHFFFAOYSA-N 0 0 428.532 5.630 50 0 IKAARN C[C@@H](c1ccccc1)n1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 ZINC000002409543 569300498 /nfs/dbraw/zinc/30/04/98/569300498.db2.gz HKNHSTRDERHVCZ-IBGZPJMESA-N 0 0 449.558 5.139 50 0 IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(NCCc2ccccc2)n1)CCC4 ZINC000002410194 569300598 /nfs/dbraw/zinc/30/05/98/569300598.db2.gz GQZIRXWXDJOIPP-UHFFFAOYSA-N 0 0 448.661 6.303 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O ZINC000002410244 569300748 /nfs/dbraw/zinc/30/07/48/569300748.db2.gz UEUFVZZCMZCEKA-QHCPKHFHSA-N 0 0 427.500 5.737 50 0 IKAARN CC(C)Sc1nc2sc3c(c2c(SCc2ccc(F)cc2)n1)CC(C)(C)OC3 ZINC000002410584 569300854 /nfs/dbraw/zinc/30/08/54/569300854.db2.gz WWHFTGBWBUWPLJ-UHFFFAOYSA-N 0 0 434.627 6.475 50 0 IKAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002411131 569300952 /nfs/dbraw/zinc/30/09/52/569300952.db2.gz KHIOKGZPCZVYEJ-FQEVSTJZSA-N 0 0 432.501 5.015 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)s1 ZINC000002412346 569301031 /nfs/dbraw/zinc/30/10/31/569301031.db2.gz HXJXPOSKQUDBND-MRXNPFEDSA-N 0 0 444.299 5.010 50 0 IKAARN CCCCCCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002413870 569301268 /nfs/dbraw/zinc/30/12/68/569301268.db2.gz XPLUSYFEUCCDPM-IBGZPJMESA-N 0 0 443.595 5.498 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)N[C@H](C)CCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002413980 569301290 /nfs/dbraw/zinc/30/12/90/569301290.db2.gz WHWUYZCKMBWUAY-LJQANCHMSA-N 0 0 449.558 5.215 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000002415816 569301354 /nfs/dbraw/zinc/30/13/54/569301354.db2.gz UOGQCQOPXUFDSI-OAQYLSRUSA-N 0 0 448.906 5.790 50 0 IKAARN CCCCc1nc2sc3c(ncnc3N(CCO)Cc3ccccc3)c2c2c1CCC2 ZINC000002417012 569301525 /nfs/dbraw/zinc/30/15/25/569301525.db2.gz WCZAKZWFMMSNIS-UHFFFAOYSA-N 0 0 432.593 5.070 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)no1 ZINC000002418917 569301734 /nfs/dbraw/zinc/30/17/34/569301734.db2.gz VNTYUSAEMLMBIO-SFHVURJKSA-N 0 0 427.243 5.146 50 0 IKAARN CCOc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000002419642 569301897 /nfs/dbraw/zinc/30/18/97/569301897.db2.gz ZWXJOZFQAIRUQY-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000002419993 569301901 /nfs/dbraw/zinc/30/19/01/569301901.db2.gz JEIRFQQHGGSRAN-OAQYLSRUSA-N 0 0 434.879 5.616 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 ZINC000002420438 569302023 /nfs/dbraw/zinc/30/20/23/569302023.db2.gz IZCPYBGYFBVIRV-MSOLQXFVSA-N 0 0 437.862 5.062 50 0 IKAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000002421308 569302069 /nfs/dbraw/zinc/30/20/69/569302069.db2.gz MJZGIHIOGXCUQJ-OAQYLSRUSA-N 0 0 445.544 5.389 50 0 IKAARN COc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1 ZINC000002421473 569302071 /nfs/dbraw/zinc/30/20/71/569302071.db2.gz NONVQIOQUSIISX-UHFFFAOYSA-N 0 0 440.854 6.274 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 ZINC000002423510 569302203 /nfs/dbraw/zinc/30/22/03/569302203.db2.gz JWPGPJLOQPJWSZ-UHFFFAOYSA-N 0 0 441.310 6.663 50 0 IKAARN COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)nc3C2)cc1 ZINC000002424303 569302310 /nfs/dbraw/zinc/30/23/10/569302310.db2.gz LMKPQXNRLFUWMK-QFIPXVFZSA-N 0 0 449.510 5.317 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 ZINC000002424444 569302379 /nfs/dbraw/zinc/30/23/79/569302379.db2.gz NWCLDCNGMXCADL-QGZVFWFLSA-N 0 0 443.311 5.615 50 0 IKAARN CC(C)Sc1nc2sc3c(c2c(SCCc2ccccc2)n1)CC(C)(C)OC3 ZINC000002428664 569302803 /nfs/dbraw/zinc/30/28/03/569302803.db2.gz JCFIHTWYBVNZBX-UHFFFAOYSA-N 0 0 430.664 6.378 50 0 IKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)cc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000002428845 569302817 /nfs/dbraw/zinc/30/28/17/569302817.db2.gz XZJATSWPURVSOH-UHFFFAOYSA-N 0 0 426.423 6.107 50 0 IKAARN CC(C)(C)OC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000002428933 569302829 /nfs/dbraw/zinc/30/28/29/569302829.db2.gz AYWNZKPVTYNEQL-UHFFFAOYSA-N 0 0 447.281 5.068 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 ZINC000002429737 569303003 /nfs/dbraw/zinc/30/30/03/569303003.db2.gz SRJKWQKHMIPRFW-SDNWHVSQSA-N 0 0 436.385 6.098 50 0 IKAARN CCc1cc2c(cc1OC(=O)C(C)(C)C)oc(CC)c(-c1nc3ccccc3n1C)c2=O ZINC000011867604 569303075 /nfs/dbraw/zinc/30/30/75/569303075.db2.gz FRYOWIFRPUUUDW-UHFFFAOYSA-N 0 0 432.520 5.423 50 0 IKAARN COc1ccc(C[C@@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@@H]23)CCCC5)cc1 ZINC000011866656 569303080 /nfs/dbraw/zinc/30/30/80/569303080.db2.gz XCUAPPLVYNFZIA-ZJSXRUAMSA-N 0 0 430.573 5.052 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccccc2Cl)cc1 ZINC000002433099 569303655 /nfs/dbraw/zinc/30/36/55/569303655.db2.gz IBTORNMBNULERS-UHFFFAOYSA-N 0 0 448.950 5.975 50 0 IKAARN CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC ZINC000002433126 569303706 /nfs/dbraw/zinc/30/37/06/569303706.db2.gz KBGIJNJVHXVDOI-BKJWKRJESA-N 0 0 434.580 5.291 50 0 IKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000002436453 569303817 /nfs/dbraw/zinc/30/38/17/569303817.db2.gz YSPUIRYOJVHEIY-UHFFFAOYSA-N 0 0 441.506 5.525 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccccc2F)cc1 ZINC000002438291 569303911 /nfs/dbraw/zinc/30/39/11/569303911.db2.gz MNBFPLWJQIEPHN-UHFFFAOYSA-N 0 0 447.897 5.561 50 0 IKAARN Cc1oc2cc(OCc3cccc4ccccc43)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002439610 569303976 /nfs/dbraw/zinc/30/39/76/569303976.db2.gz IEIPYENUUSJUTI-UHFFFAOYSA-N 0 0 426.899 7.154 50 0 IKAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 ZINC000002444830 569304382 /nfs/dbraw/zinc/30/43/82/569304382.db2.gz MIZXUVKJOMJXDA-AWEZNQCLSA-N 0 0 429.995 5.334 50 0 IKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000002441212 569304095 /nfs/dbraw/zinc/30/40/95/569304095.db2.gz IIHXTPJEMXZMQR-UHFFFAOYSA-N 0 0 427.479 5.216 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000002440323 569304147 /nfs/dbraw/zinc/30/41/47/569304147.db2.gz UNQVLUKGCSZERY-SFHVURJKSA-N 0 0 441.579 5.423 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000002440326 569304155 /nfs/dbraw/zinc/30/41/55/569304155.db2.gz UNQVLUKGCSZERY-GOSISDBHSA-N 0 0 441.579 5.423 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 ZINC000002443141 569304208 /nfs/dbraw/zinc/30/42/08/569304208.db2.gz BBPPXKGPQSATCG-GOSISDBHSA-N 0 0 429.568 5.160 50 0 IKAARN Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)nc3C2)cc1 ZINC000002441839 569304263 /nfs/dbraw/zinc/30/42/63/569304263.db2.gz KIAPRSQZCXOUHB-HSZRJFAPSA-N 0 0 433.511 5.617 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)CCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002442736 569304275 /nfs/dbraw/zinc/30/42/75/569304275.db2.gz CPAXHZXEAVHAPL-GOSISDBHSA-N 0 0 429.568 5.409 50 0 IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000002443882 569304295 /nfs/dbraw/zinc/30/42/95/569304295.db2.gz TZDVGWDSRHZHPG-UHFFFAOYSA-N 0 0 427.323 5.676 50 0 IKAARN c1ccc2cc(OCc3nc4c5c(ncn4n3)-c3ccccc3CC53CCCCC3)ccc2c1 ZINC000002445294 569304366 /nfs/dbraw/zinc/30/43/66/569304366.db2.gz RWWAPCMFTHLGPE-UHFFFAOYSA-N 0 0 446.554 6.282 50 0 IKAARN CN1c2ccccc2C(C)(C)/C1=C1/C=NN(c2ccccc2)[P@@]1(=O)N1CCCCCC1 ZINC000012524647 569304491 /nfs/dbraw/zinc/30/44/91/569304491.db2.gz VJDGURYMBYYUJH-DHFLNJHPSA-N 0 0 434.524 6.201 50 0 IKAARN CSc1nc2c3c(nc(-c4ccccc4)c4c3CCC4)sc2c(SCCO)n1 ZINC000002448956 569304672 /nfs/dbraw/zinc/30/46/72/569304672.db2.gz KUMSHEBISOKKSK-UHFFFAOYSA-N 0 0 425.604 5.202 50 0 IKAARN CCOC(=O)N/N=C(/C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012654997 569304674 /nfs/dbraw/zinc/30/46/74/569304674.db2.gz BHLVYDMAVBWYJH-NFBYZHFNSA-N 0 0 442.600 5.539 50 0 biogenic IKAARN COc1cccc(C(=O)Oc2ccc3c(c2)oc(C(F)(F)F)c(-c2ccccc2)c3=O)c1 ZINC000002449122 569304680 /nfs/dbraw/zinc/30/46/80/569304680.db2.gz AQSPCSWKMVLPNQ-UHFFFAOYSA-N 0 0 440.373 5.707 50 0 IKAARN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012657626 569304688 /nfs/dbraw/zinc/30/46/88/569304688.db2.gz GODCGUYMQPRACL-PVVAYIKHSA-N 0 0 442.640 5.928 50 0 biogenic IKAARN CC1=C[C@@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C ZINC000012653954 569304701 /nfs/dbraw/zinc/30/47/01/569304701.db2.gz OLBNGLBVDWDALE-IOZXGLFCSA-N 0 0 441.568 5.380 50 0 biogenic IKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000007948378 569304790 /nfs/dbraw/zinc/30/47/90/569304790.db2.gz VLRPNJQIDISLQB-HSZRJFAPSA-N 0 0 427.639 5.386 50 0 IKAARN CCc1ccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000012821403 569304959 /nfs/dbraw/zinc/30/49/59/569304959.db2.gz GETMBXMOCWAALY-MHZLTWQESA-N 0 0 434.543 5.799 50 0 IKAARN CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6CCCCO6)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 ZINC000012864717 569305096 /nfs/dbraw/zinc/30/50/96/569305096.db2.gz DNWMPSZEZKPTQK-IBILOWCXSA-N 0 0 444.656 6.240 50 0 biogenic IKAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000037867962 569305113 /nfs/dbraw/zinc/30/51/13/569305113.db2.gz DRVXKGJMXMKWIM-HSZRJFAPSA-N 0 0 426.472 5.117 50 0 IKAARN Cc1cc(C)n(-c2nc(-c3ccc(Br)cc3)c3c(n2)-c2ccccc2CC3)n1 ZINC000012954052 569305195 /nfs/dbraw/zinc/30/51/95/569305195.db2.gz JZQIIVSSPBSCBG-UHFFFAOYSA-N 0 0 431.337 5.474 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000012955009 569305228 /nfs/dbraw/zinc/30/52/28/569305228.db2.gz JRSGPPPZZCZUID-UHFFFAOYSA-N 0 0 441.858 5.421 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)sc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000012953758 569305230 /nfs/dbraw/zinc/30/52/30/569305230.db2.gz ROTDUXLHZMUQEW-UHFFFAOYSA-N 0 0 435.014 5.548 50 0 IKAARN FC(F)(F)Oc1ccc2nc(/C=C/c3ccc(Cl)cc3Cl)c3c(c2c1)SCC3 ZINC000012958781 569305291 /nfs/dbraw/zinc/30/52/91/569305291.db2.gz ZOSKPAZPSRBDCU-GORDUTHDSA-N 0 0 442.289 7.259 50 0 IKAARN FC(F)(F)c1cc(-c2cccs2)nc2c(Cl)c(-c3ccc(Cl)c(Cl)c3)nn21 ZINC000012958657 569305296 /nfs/dbraw/zinc/30/52/96/569305296.db2.gz HOFGDMUAMSDISF-UHFFFAOYSA-N 0 0 448.684 7.104 50 0 IKAARN O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1ccc(Cl)cc1 ZINC000012956178 569305322 /nfs/dbraw/zinc/30/53/22/569305322.db2.gz CFPLUZFXLKYSLQ-MDWZMJQESA-N 0 0 430.306 6.041 50 0 IKAARN FC(F)(F)c1cc(-c2cccc(Cl)c2)nc2cc(-c3sccc3-n3cccc3)nn21 ZINC000012961508 569305429 /nfs/dbraw/zinc/30/54/29/569305429.db2.gz VJLYBIKWKSOEIX-UHFFFAOYSA-N 0 0 444.869 6.588 50 0 IKAARN FC(F)(F)c1cc(-c2ccccc2)nc2c(Cl)c(-c3ccc(Cl)c(Cl)c3)nn21 ZINC000012960529 569305446 /nfs/dbraw/zinc/30/54/46/569305446.db2.gz YDNKMVFSGBSDJF-UHFFFAOYSA-N 0 0 442.655 7.042 50 0 IKAARN O=C1O/C(=C\N2CCc3c4ccccc4[nH]c3[C@@H]2[C@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000012961269 569305448 /nfs/dbraw/zinc/30/54/48/569305448.db2.gz GCABLUGXOGQONP-IJUWRAAOSA-N 0 0 448.478 5.148 50 0 IKAARN Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000002452981 569305449 /nfs/dbraw/zinc/30/54/49/569305449.db2.gz BGSIWQMFCIFGRT-UHFFFAOYSA-N 0 0 436.378 6.298 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 ZINC000012984000 569305830 /nfs/dbraw/zinc/30/58/30/569305830.db2.gz VOROQGBVPXFPAG-HSZRJFAPSA-N 0 0 429.545 5.749 50 0 IKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)o1 ZINC000013000949 569306174 /nfs/dbraw/zinc/30/61/74/569306174.db2.gz NCHYRAUADVKGOS-ZWKOTPCHSA-N 0 0 429.442 5.563 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(CSc4ccccc4)o3)n2)cc1 ZINC000013012261 569306861 /nfs/dbraw/zinc/30/68/61/569306861.db2.gz YOUBGCPOCKJLSI-UHFFFAOYSA-N 0 0 449.557 5.906 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc(OC)c1 ZINC000013010349 569306881 /nfs/dbraw/zinc/30/68/81/569306881.db2.gz IYVVNECOPVQGCQ-UHFFFAOYSA-N 0 0 428.579 5.251 50 0 IKAARN CCOc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3ccc(OC)cc3)cs2)cc1 ZINC000013015251 569307007 /nfs/dbraw/zinc/30/70/07/569307007.db2.gz CHPBMNVTCSRQRO-OAHLLOKOSA-N 0 0 428.579 5.478 50 0 IKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCCOCc4ccccc4)cc3)o2)c1 ZINC000013019205 569307244 /nfs/dbraw/zinc/30/72/44/569307244.db2.gz ZJLLMXJDTZELMB-UHFFFAOYSA-N 0 0 427.504 5.049 50 0 IKAARN COc1ccc2c(c1)nc(SCCN1C(=O)c3ccccc3C1=O)cc2-c1ccccc1 ZINC000013018076 569307282 /nfs/dbraw/zinc/30/72/82/569307282.db2.gz BIWVXXFRHZXVRG-UHFFFAOYSA-N 0 0 440.524 5.299 50 0 IKAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000013039030 569307889 /nfs/dbraw/zinc/30/78/89/569307889.db2.gz HBRNJDHNOHTIEH-NRFANRHFSA-N 0 0 447.044 6.077 50 0 IKAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000013039029 569307893 /nfs/dbraw/zinc/30/78/93/569307893.db2.gz HBRNJDHNOHTIEH-OAQYLSRUSA-N 0 0 447.044 6.077 50 0 IKAARN O=C(CSc1cccc2cccc(Cl)c21)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000013040844 569308086 /nfs/dbraw/zinc/30/80/86/569308086.db2.gz FDXGUSKATXRZFT-UHFFFAOYSA-N 0 0 449.355 6.143 50 0 IKAARN O=C(c1ccccc1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013041151 569308114 /nfs/dbraw/zinc/30/81/14/569308114.db2.gz ZGVKQVSBCZUDFO-MRXNPFEDSA-N 0 0 433.360 5.943 50 0 IKAARN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000013059197 569308535 /nfs/dbraw/zinc/30/85/35/569308535.db2.gz PQWNWEOGDLTBHB-HSZRJFAPSA-N 0 0 436.577 5.047 50 0 IKAARN CC[C@@H](C)c1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 ZINC000013060652 569308609 /nfs/dbraw/zinc/30/86/09/569308609.db2.gz MVJXMYUZLDUBAX-QGZVFWFLSA-N 0 0 441.622 5.852 50 0 IKAARN S=c1n(CN2CCc3ccccc3C2)nc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000013063456 569308744 /nfs/dbraw/zinc/30/87/44/569308744.db2.gz JQJZHGLACSKBKT-UHFFFAOYSA-N 0 0 432.980 5.739 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)c(OC)c1 ZINC000013070546 569308888 /nfs/dbraw/zinc/30/88/88/569308888.db2.gz BWVATUQSXMZAQL-UHFFFAOYSA-N 0 0 433.485 5.020 50 0 IKAARN COc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@H](C)Cc2cccs2)cc1 ZINC000013069345 569308919 /nfs/dbraw/zinc/30/89/19/569308919.db2.gz XXJPEBISIISYMY-GOSISDBHSA-N 0 0 443.996 5.757 50 0 IKAARN Clc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1Cl ZINC000013069752 569308947 /nfs/dbraw/zinc/30/89/47/569308947.db2.gz JGHMXLKQOMMXDR-UHFFFAOYSA-N 0 0 436.364 5.111 50 0 IKAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000013071253 569308986 /nfs/dbraw/zinc/30/89/86/569308986.db2.gz JDBKCFNBZDUXSU-SANMLTNESA-N 0 0 437.543 5.664 50 0 IKAARN CN(C)c1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000013072043 569309008 /nfs/dbraw/zinc/30/90/08/569309008.db2.gz YOAHRQQXUWXOME-UHFFFAOYSA-N 0 0 427.426 5.276 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 ZINC000013074247 569309118 /nfs/dbraw/zinc/30/91/18/569309118.db2.gz JECIYYIBMOISGW-UHFFFAOYSA-N 0 0 436.533 5.077 50 0 IKAARN O=C(Nc1ccccc1Cl)C(=Cc1ccccc1Cl)C(=O)Nc1ccccc1Cl ZINC000013072560 569309132 /nfs/dbraw/zinc/30/91/32/569309132.db2.gz WUDVWWBJASVMAT-UHFFFAOYSA-N 0 0 445.733 6.308 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000013074113 569309151 /nfs/dbraw/zinc/30/91/51/569309151.db2.gz SGHZFUSNKZGHTE-UHFFFAOYSA-N 0 0 425.394 5.823 50 0 IKAARN COc1cc(CCC(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc(OC)c1OC ZINC000013075419 569309182 /nfs/dbraw/zinc/30/91/82/569309182.db2.gz KFMWJJCOOOZDHQ-UHFFFAOYSA-N 0 0 446.975 5.318 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000013074972 569309237 /nfs/dbraw/zinc/30/92/37/569309237.db2.gz NAESCENUKULKDH-UHFFFAOYSA-N 0 0 444.556 6.191 50 0 IKAARN CCC(=O)c1ccc(OC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1 ZINC000013095490 569309453 /nfs/dbraw/zinc/30/94/53/569309453.db2.gz JUXMOXCBQAONCY-UHFFFAOYSA-N 0 0 437.542 6.302 50 0 IKAARN CC(C)Cn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F ZINC000013095488 569309455 /nfs/dbraw/zinc/30/94/55/569309455.db2.gz WMKITGXMTKUKGS-DUXBZUBYSA-N 0 0 441.616 6.006 50 0 IKAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccccc2F)cc1 ZINC000013096459 569309562 /nfs/dbraw/zinc/30/95/62/569309562.db2.gz OOEAVGUALZBWBB-UHFFFAOYSA-N 0 0 439.508 5.101 50 0 IKAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc5c(c4)oc(=O)cc5C(F)(F)F)cc3c2C1 ZINC000013097573 569309802 /nfs/dbraw/zinc/30/98/02/569309802.db2.gz PQZIWNBHOWARDT-LBPRGKRZSA-N 0 0 441.405 5.637 50 0 IKAARN CCCCN(C(=O)c1oc2ccccc2c1CSc1nc(C)cs1)c1ccccc1 ZINC000013098225 569309806 /nfs/dbraw/zinc/30/98/06/569309806.db2.gz WMAJJGOBUXNVHR-UHFFFAOYSA-N 0 0 436.602 6.937 50 0 IKAARN CSc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CC(C)C)c1 ZINC000013097445 569309829 /nfs/dbraw/zinc/30/98/29/569309829.db2.gz ACHZMGAZPFIXEL-UHFFFAOYSA-N 0 0 448.013 5.159 50 0 IKAARN CC(C)[C@H](C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000013098731 569309914 /nfs/dbraw/zinc/30/99/14/569309914.db2.gz PKGVFMYEOALGLD-HNNXBMFYSA-N 0 0 435.515 5.356 50 0 IKAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 ZINC000013098554 569309929 /nfs/dbraw/zinc/30/99/29/569309929.db2.gz UVCICSYXNLIGEK-UHFFFAOYSA-N 0 0 443.934 5.350 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000013112340 569310335 /nfs/dbraw/zinc/31/03/35/569310335.db2.gz STZPWWMUELYXDL-UHFFFAOYSA-N 0 0 443.956 5.349 50 0 IKAARN O=C(COc1ccc(Br)cc1F)Nc1ccc(Br)cc1Cl ZINC000013112409 569310373 /nfs/dbraw/zinc/31/03/73/569310373.db2.gz XEQHSCKMPIWZDD-UHFFFAOYSA-N 0 0 437.490 5.022 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)cs2)cc1 ZINC000013112462 569310467 /nfs/dbraw/zinc/31/04/67/569310467.db2.gz NSAOKNYVDHJKDE-UHFFFAOYSA-N 0 0 444.866 5.956 50 0 IKAARN O=C([C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000013113005 569310511 /nfs/dbraw/zinc/31/05/11/569310511.db2.gz MEXZKPAWKLFOBF-NRFANRHFSA-N 0 0 446.601 5.452 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)o2)cc1 ZINC000013112475 569310572 /nfs/dbraw/zinc/31/05/72/569310572.db2.gz FSIBKOHHWYESGA-AXVVYFOYSA-N 0 0 430.618 5.004 50 0 IKAARN COCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)sc2cccc(F)c21 ZINC000013114341 569310695 /nfs/dbraw/zinc/31/06/95/569310695.db2.gz IKOYMGAKLYXGRJ-UHFFFAOYSA-N 0 0 442.537 5.880 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccccc1 ZINC000013115148 569310750 /nfs/dbraw/zinc/31/07/50/569310750.db2.gz MJWHWBRLKJZRPN-JOCHJYFZSA-N 0 0 444.560 5.292 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000013114691 569310791 /nfs/dbraw/zinc/31/07/91/569310791.db2.gz VJNYCXHFMAVLHW-IBGZPJMESA-N 0 0 442.588 5.675 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1C ZINC000013114627 569310801 /nfs/dbraw/zinc/31/08/01/569310801.db2.gz JIRZDGHRUCKHMO-INIZCTEOSA-N 0 0 441.984 5.826 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccccc1 ZINC000013115150 569310808 /nfs/dbraw/zinc/31/08/08/569310808.db2.gz MJWHWBRLKJZRPN-QFIPXVFZSA-N 0 0 444.560 5.292 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000013120403 569311025 /nfs/dbraw/zinc/31/10/25/569311025.db2.gz ZBTDLRARAOMNSE-JOCHJYFZSA-N 0 0 436.874 5.333 50 0 IKAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000013120219 569311039 /nfs/dbraw/zinc/31/10/39/569311039.db2.gz FALMQNDBKKMJSR-UHFFFAOYSA-N 0 0 440.478 5.058 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000013121314 569311089 /nfs/dbraw/zinc/31/10/89/569311089.db2.gz ZXUZWQPNUSLRMY-LBPRGKRZSA-N 0 0 444.969 5.311 50 0 IKAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)n3C3CC3)c2C)no1 ZINC000013125875 569311107 /nfs/dbraw/zinc/31/11/07/569311107.db2.gz ZJNPQOXZMHLOED-UHFFFAOYSA-N 0 0 439.566 5.020 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000013137486 569311466 /nfs/dbraw/zinc/31/14/66/569311466.db2.gz OLMMHMANUGOTSS-UHFFFAOYSA-N 0 0 425.941 5.677 50 0 IKAARN C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000013138542 569311647 /nfs/dbraw/zinc/31/16/47/569311647.db2.gz AKMGSUWPHWDUIN-OAHLLOKOSA-N 0 0 428.315 5.696 50 0 IKAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1 ZINC000013138216 569311689 /nfs/dbraw/zinc/31/16/89/569311689.db2.gz WQOHLAASCKXGJE-CQSZACIVSA-N 0 0 430.957 5.393 50 0 IKAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000013137815 569311701 /nfs/dbraw/zinc/31/17/01/569311701.db2.gz ZUAKENVMOJOSFB-MRXNPFEDSA-N 0 0 440.594 5.567 50 0 IKAARN C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000013138548 569311708 /nfs/dbraw/zinc/31/17/08/569311708.db2.gz AKMGSUWPHWDUIN-HNNXBMFYSA-N 0 0 428.315 5.696 50 0 IKAARN COc1ccc2c(COC(=O)c3cc(-c4ccc(C)o4)nc4ccccc43)cc(=O)oc2c1 ZINC000013142025 569311744 /nfs/dbraw/zinc/31/17/44/569311744.db2.gz OEFAPXQNUMMMRF-UHFFFAOYSA-N 0 0 441.439 5.275 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1C ZINC000013141812 569311818 /nfs/dbraw/zinc/31/18/18/569311818.db2.gz OGDJARWYJYWUCD-UHFFFAOYSA-N 0 0 448.975 5.939 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013148258 569311987 /nfs/dbraw/zinc/31/19/87/569311987.db2.gz RKQLIQFTTSHNIK-QFIPXVFZSA-N 0 0 449.403 5.145 50 0 IKAARN O=C1C(Cl)=C(NC2CCCCCCCCCCC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000013149342 569312160 /nfs/dbraw/zinc/31/21/60/569312160.db2.gz SJNNBOJMAYWZOS-UHFFFAOYSA-N 0 0 437.411 5.922 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)NCCc1ccccc1 ZINC000013283323 569312619 /nfs/dbraw/zinc/31/26/19/569312619.db2.gz OCDVNROIEDQAOW-UHFFFAOYSA-N 0 0 428.605 5.033 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc32)Cc2cccnc2)c1 ZINC000013283362 569312627 /nfs/dbraw/zinc/31/26/27/569312627.db2.gz BCFKVILPZPURDO-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456465 569312711 /nfs/dbraw/zinc/31/27/11/569312711.db2.gz LKNKRXZVAHPYSI-NRFANRHFSA-N 0 0 446.375 5.168 50 0 IKAARN O=C(CCC1CCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002456512 569312714 /nfs/dbraw/zinc/31/27/14/569312714.db2.gz SGEQTTJXBSQNJU-QHCPKHFHSA-N 0 0 441.369 5.290 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456461 569312724 /nfs/dbraw/zinc/31/27/24/569312724.db2.gz HSNQITGZQSZASA-NRFANRHFSA-N 0 0 446.375 5.168 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccncc1 ZINC000013283369 569312747 /nfs/dbraw/zinc/31/27/47/569312747.db2.gz UJFUPJGLJFDBPB-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN Cc1ccccc1N[P@@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 ZINC000013302906 569312757 /nfs/dbraw/zinc/31/27/57/569312757.db2.gz INFZMVLEMWUBQA-YTTGMZPUSA-N 0 0 448.551 6.994 50 0 IKAARN 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 ZINC000013298332 569312791 /nfs/dbraw/zinc/31/27/91/569312791.db2.gz DOMWKUIIPQCAJU-UBSPVUBISA-N 0 0 428.613 5.970 50 0 IKAARN Clc1ccc2c(c1)[C@@]1(c3ccccc3)Nc3ccc(Cl)cc3[C@]1(c1ccccc1)N2 ZINC000013306240 569312883 /nfs/dbraw/zinc/31/28/83/569312883.db2.gz BWPUWJJVPMKKOU-WMPKNSHKSA-N 0 0 429.350 7.032 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000013346908 569312994 /nfs/dbraw/zinc/31/29/94/569312994.db2.gz FWPSTGUIPBFXNF-UHFFFAOYSA-N 0 0 431.517 6.092 50 0 IKAARN Cn1c(CCc2ccc(NC(=O)Nc3cccc(Br)c3)cc2)nc2ccccc21 ZINC000013348453 569313014 /nfs/dbraw/zinc/31/30/14/569313014.db2.gz MHCJGKYOXVHJDJ-UHFFFAOYSA-N 0 0 449.352 5.765 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000013346920 569313027 /nfs/dbraw/zinc/31/30/27/569313027.db2.gz VNTOFDAAZPKFJD-UHFFFAOYSA-N 0 0 445.544 6.021 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c(OC)c1 ZINC000013346810 569313034 /nfs/dbraw/zinc/31/30/34/569313034.db2.gz VZJCKXJEMZSSHP-UHFFFAOYSA-N 0 0 439.924 6.278 50 0 IKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)NC1CCCCC1 ZINC000013348537 569313174 /nfs/dbraw/zinc/31/31/74/569313174.db2.gz BXLRIWQZAFBCSR-UHFFFAOYSA-N 0 0 438.575 6.265 50 0 IKAARN CC(=O)c1cccc(NC(=O)Nc2ccc(-c3nnc(Cc4ccc(C)cc4)o3)cc2)c1 ZINC000013351241 569313359 /nfs/dbraw/zinc/31/33/59/569313359.db2.gz ULTROVNOZJCESS-UHFFFAOYSA-N 0 0 426.476 5.482 50 0 IKAARN CCOC(=O)C[C@H](NC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1)c1ccccc1 ZINC000013351415 569313369 /nfs/dbraw/zinc/31/33/69/569313369.db2.gz NDZQZVSQCZMCJG-QHCPKHFHSA-N 0 0 427.504 5.651 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1F ZINC000013353927 569313450 /nfs/dbraw/zinc/31/34/50/569313450.db2.gz HIBKWOWGJLRDNC-UHFFFAOYSA-N 0 0 426.517 5.907 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4cc(C)ccc4C)cc32)cc1 ZINC000013355874 569313574 /nfs/dbraw/zinc/31/35/74/569313574.db2.gz VRNZGKFNHXMULF-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000013356033 569313660 /nfs/dbraw/zinc/31/36/60/569313660.db2.gz AUPGASACBWQWRS-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4ccccc4Cl)ccc32)cc1 ZINC000013359579 569313863 /nfs/dbraw/zinc/31/38/63/569313863.db2.gz VTRBOSLPFHNILO-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1 ZINC000013359197 569313899 /nfs/dbraw/zinc/31/38/99/569313899.db2.gz BKILOVLWGNQKAX-UHFFFAOYSA-N 0 0 434.517 5.517 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000013359763 569313922 /nfs/dbraw/zinc/31/39/22/569313922.db2.gz UQBBDQKXJUGBNU-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)CCC4CCCC4)cc3)c(=O)[nH]c2cc1C ZINC000013360971 569313940 /nfs/dbraw/zinc/31/39/40/569313940.db2.gz GNMLTAPBPQXSCQ-UHFFFAOYSA-N 0 0 435.593 5.741 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)c(C)c4)co3)cc2)cc1 ZINC000013360720 569313996 /nfs/dbraw/zinc/31/39/96/569313996.db2.gz YEORWKNTWZZJOX-UHFFFAOYSA-N 0 0 434.517 5.435 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc3)n2)c(C)c1 ZINC000013360679 569314043 /nfs/dbraw/zinc/31/40/43/569314043.db2.gz XCGBKIOEHPWBFY-UHFFFAOYSA-N 0 0 446.572 6.550 50 0 IKAARN COc1cccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 ZINC000013364538 569314260 /nfs/dbraw/zinc/31/42/60/569314260.db2.gz NQTLFUOKQYAIBS-FQEVSTJZSA-N 0 0 427.838 5.878 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1Cl ZINC000013367095 569314321 /nfs/dbraw/zinc/31/43/21/569314321.db2.gz IPHMYPCIYLNJQK-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013368920 569314690 /nfs/dbraw/zinc/31/46/90/569314690.db2.gz PDEHJNFNKWMCEV-UHFFFAOYSA-N 0 0 433.895 5.172 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013369168 569314725 /nfs/dbraw/zinc/31/47/25/569314725.db2.gz WNHVCOUGQIBFOY-INIZCTEOSA-N 0 0 447.922 5.733 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(OC)c1 ZINC000013369160 569314756 /nfs/dbraw/zinc/31/47/56/569314756.db2.gz KAVMIONZYCYKST-HNNXBMFYSA-N 0 0 435.911 5.574 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013369166 569314775 /nfs/dbraw/zinc/31/47/75/569314775.db2.gz WNHVCOUGQIBFOY-MRXNPFEDSA-N 0 0 447.922 5.733 50 0 IKAARN COc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)c2ccco2)cc1 ZINC000013369939 569314855 /nfs/dbraw/zinc/31/48/55/569314855.db2.gz WSTJLDHDMVBDTC-RTWAWAEBSA-N 0 0 446.551 5.425 50 0 biogenic IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 ZINC000013387895 569315303 /nfs/dbraw/zinc/31/53/03/569315303.db2.gz JAWYITGVFTYRFB-HUUCEWRRSA-N 0 0 438.837 5.028 50 0 IKAARN O=C1O/C(=C\N2CCc3c4ccccc4[nH]c3[C@@H]2[C@@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000013396078 569315304 /nfs/dbraw/zinc/31/53/04/569315304.db2.gz GCABLUGXOGQONP-GJIIEBNPSA-N 0 0 448.478 5.148 50 0 IKAARN CCOC(=O)c1ccc2[nH]c(C(CC)c3[nH]c4ccc(C(=O)OCC)cc4c3C)c(C)c2c1 ZINC000261361195 569315413 /nfs/dbraw/zinc/31/54/13/569315413.db2.gz ZYKSZGGNPHXMOT-UHFFFAOYSA-N 0 0 446.547 6.161 50 0 IKAARN O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1ccc(C2SCCS2)cc1 ZINC000328591126 569316957 /nfs/dbraw/zinc/31/69/57/569316957.db2.gz XFETUVPBFCQJJU-HNNXBMFYSA-N 0 0 425.453 5.767 50 0 IKAARN COc1cc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)C(C)C)cc2c(OC)c1 ZINC000328597039 569317978 /nfs/dbraw/zinc/31/79/78/569317978.db2.gz CSBYYNYAORIWDK-NRFANRHFSA-N 0 0 437.927 5.239 50 0 IKAARN CC(C)c1ccc(CSc2nnc(SCc3cc(-c4ccco4)on3)s2)cc1 ZINC000019317910 569318265 /nfs/dbraw/zinc/31/82/65/569318265.db2.gz BENPEETZDHDCEW-UHFFFAOYSA-N 0 0 429.592 6.494 50 0 IKAARN CCOc1ccc([C@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019330131 569318458 /nfs/dbraw/zinc/31/84/58/569318458.db2.gz GGJWITYGHLIHPJ-SANMLTNESA-N 0 0 438.974 6.203 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)c1 ZINC000078718329 569318546 /nfs/dbraw/zinc/31/85/46/569318546.db2.gz LAJXWCQLQBVGQQ-UXHICEINSA-N 0 0 425.410 5.095 50 0 IKAARN Fc1ccc(CN2CCCN(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2Cl)cc1 ZINC000019330586 569318552 /nfs/dbraw/zinc/31/85/52/569318552.db2.gz FLYDXCNYZKZQBQ-XMMPIXPASA-N 0 0 429.366 6.539 50 0 IKAARN CCCC12CN3CC(C)(CN(C1)C3c1c(C)n(Cc3ccccc3)c3ccccc31)C2=O ZINC000019333900 569318616 /nfs/dbraw/zinc/31/86/16/569318616.db2.gz FHZBMVRGJGTKBT-UHFFFAOYSA-N 0 0 427.592 5.003 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000019358170 569319040 /nfs/dbraw/zinc/31/90/40/569319040.db2.gz NMDJACJOLQJRPP-MRXNPFEDSA-N 0 0 441.603 5.236 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)[C@@H]3CCS(=O)(=O)C3)cc2F)cc1 ZINC000078813255 569319167 /nfs/dbraw/zinc/31/91/67/569319167.db2.gz KPTDNNPDPLQCSN-VQIMIIECSA-N 0 0 449.613 5.054 50 0 IKAARN Cc1cnc([C@@H](NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C2CC2)s1 ZINC000078877340 569319904 /nfs/dbraw/zinc/31/99/04/569319904.db2.gz LQWMPDHPMMJYKF-NRFANRHFSA-N 0 0 434.590 5.273 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(N(C)C(=O)c3cc(C)sc3C)c(Cl)c2)c(C)s1 ZINC000078899379 569320150 /nfs/dbraw/zinc/32/01/50/569320150.db2.gz KDTFYSJRPSWVAV-UHFFFAOYSA-N 0 0 432.998 6.226 50 0 IKAARN CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000078953721 569320516 /nfs/dbraw/zinc/32/05/16/569320516.db2.gz BMQMNPSHXYFYPO-UHFFFAOYSA-N 0 0 433.533 5.433 50 0 IKAARN O=C(Nc1ccccc1OC(F)F)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000079019480 569322204 /nfs/dbraw/zinc/32/22/04/569322204.db2.gz YLEIJVFQWBESNP-SFHVURJKSA-N 0 0 430.430 5.576 50 0 IKAARN O=C(Nc1ccccc1OC(F)F)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000079019474 569322237 /nfs/dbraw/zinc/32/22/37/569322237.db2.gz YLEIJVFQWBESNP-GOSISDBHSA-N 0 0 430.430 5.576 50 0 IKAARN C[C@@H]1CSc2ccccc2N1C(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000079025178 569322856 /nfs/dbraw/zinc/32/28/56/569322856.db2.gz GQNQICHOSQGVFV-OAHLLOKOSA-N 0 0 433.558 5.656 50 0 IKAARN Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)C(C)C)[C@@H](c3ccco3)C1)c2-c1ccccc1 ZINC000079047030 569323102 /nfs/dbraw/zinc/32/31/02/569323102.db2.gz XPVMXGBKTQADPK-JOCHJYFZSA-N 0 0 439.515 5.430 50 0 IKAARN CN(Cc1ccccc1NC(=O)Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000079056288 569323647 /nfs/dbraw/zinc/32/36/47/569323647.db2.gz QDXAJEBFBOLJLK-UHFFFAOYSA-N 0 0 441.358 5.376 50 0 IKAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3CC(=O)Nc3cccc(Cl)c3Cl)n2)c1 ZINC000079058823 569323733 /nfs/dbraw/zinc/32/37/33/569323733.db2.gz MENMMSYSDDPWDS-IBGZPJMESA-N 0 0 445.350 5.168 50 0 IKAARN O=C(Nc1cccc(CCC(F)(F)F)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000079057111 569323736 /nfs/dbraw/zinc/32/37/36/569323736.db2.gz OKDWJUUQJMWCKO-UHFFFAOYSA-N 0 0 437.439 5.001 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019634980 569324424 /nfs/dbraw/zinc/32/44/24/569324424.db2.gz QCLLUVRWQVHVFE-UHFFFAOYSA-N 0 0 441.909 5.557 50 0 IKAARN O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000079110609 569326031 /nfs/dbraw/zinc/32/60/31/569326031.db2.gz HWDARVXSCHCIEF-CTNGQTDRSA-N 0 0 449.461 5.083 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000079112423 569326303 /nfs/dbraw/zinc/32/63/03/569326303.db2.gz UQCQEEUXIBLNKA-RUZDIDTESA-N 0 0 449.554 5.900 50 0 IKAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)n2)cc1 ZINC000019816416 569329889 /nfs/dbraw/zinc/32/98/89/569329889.db2.gz BLWCJCBGWQFYHJ-UHFFFAOYSA-N 0 0 425.488 5.278 50 0 IKAARN Cc1cc(N2CCn3c4ccccc4nc3C2)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000019855336 569330453 /nfs/dbraw/zinc/33/04/53/569330453.db2.gz NTUVQEXWOAYHGY-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCN(C)CC2)c1C ZINC000019880300 569331615 /nfs/dbraw/zinc/33/16/15/569331615.db2.gz NTZSYEBPJSABIX-OAQYLSRUSA-N 0 0 425.623 5.016 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@](C)(CC)OC3 ZINC000020035352 569332604 /nfs/dbraw/zinc/33/26/04/569332604.db2.gz NOTWTMMPPLQSDD-QHCPKHFHSA-N 0 0 428.623 5.889 50 0 IKAARN Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)Nc1c(C)cccc1-2 ZINC000020060265 569332961 /nfs/dbraw/zinc/33/29/61/569332961.db2.gz PKDYHGVNWFJJGF-NDEPHWFRSA-N 0 0 431.543 6.300 50 0 IKAARN CCc1cccc2c(C=C3NC(=S)N(CC)C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000020058673 569332977 /nfs/dbraw/zinc/33/29/77/569332977.db2.gz RDJOBDOKIJKSGN-JAIQZWGSSA-N 0 0 441.959 5.533 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000020060279 569333016 /nfs/dbraw/zinc/33/30/16/569333016.db2.gz GZOTXJCWMWKSCJ-MUUNZHRXSA-N 0 0 447.542 6.001 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000020102049 569333913 /nfs/dbraw/zinc/33/39/13/569333913.db2.gz UUPIIXUORCJLNI-UHFFFAOYSA-N 0 0 440.303 5.279 50 0 IKAARN COc1c2c(cc3c1[C@H](CC(=O)CC1CCCCCCCCCCC1)N(C)CC3)OCO2 ZINC000020111726 569334509 /nfs/dbraw/zinc/33/45/09/569334509.db2.gz RUWMEGLSJPCIBS-QHCPKHFHSA-N 0 0 443.628 6.223 50 0 biogenic IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](CC(C)C)n2ncc(C(=O)Nc3ccccc3)c2N1 ZINC000020134928 569335678 /nfs/dbraw/zinc/33/56/78/569335678.db2.gz GTJXUIQSOAWPDD-NRFANRHFSA-N 0 0 429.524 5.061 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2ncc(C(=O)Nc3ccccc3)c2N1 ZINC000020134843 569335709 /nfs/dbraw/zinc/33/57/09/569335709.db2.gz IRNCINCDUUEFKX-XMMPIXPASA-N 0 0 449.514 5.063 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020138868 569336098 /nfs/dbraw/zinc/33/60/98/569336098.db2.gz WGHSAKDZQLUQQS-FGZHOGPDSA-N 0 0 436.433 5.181 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020138877 569336110 /nfs/dbraw/zinc/33/61/10/569336110.db2.gz RYRCIWQKYBTGPY-FCHUYYIVSA-N 0 0 436.433 5.181 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2Cc1ccc(C)cc1 ZINC000020151731 569336526 /nfs/dbraw/zinc/33/65/26/569336526.db2.gz VUTAXNFTFIHDAL-UHFFFAOYSA-N 0 0 444.478 5.206 50 0 IKAARN CCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020152129 569336610 /nfs/dbraw/zinc/33/66/10/569336610.db2.gz JPOWXVLVUXZDAS-XDHOZWIPSA-N 0 0 430.957 5.633 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCC2 ZINC000020152272 569336629 /nfs/dbraw/zinc/33/66/29/569336629.db2.gz NAZBDLKMMWELQD-UHFFFAOYSA-N 0 0 447.785 5.645 50 0 IKAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCCCC3)cc1 ZINC000020152318 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569354865 /nfs/dbraw/zinc/35/48/65/569354865.db2.gz FUBFJNBMEMDUDA-MXJLDLDKSA-N 0 0 444.556 5.296 50 0 IKAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCCC[C@H]4C)cc3N(C)C2=O)cc1 ZINC000020179629 569354917 /nfs/dbraw/zinc/35/49/17/569354917.db2.gz CUOSPRWHUSJLLD-KTKVCYSRSA-N 0 0 436.577 5.113 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)cc1 ZINC000020179938 569354930 /nfs/dbraw/zinc/35/49/30/569354930.db2.gz ODRJOJNTZBBCDD-UCQKPKSFSA-N 0 0 432.520 5.174 50 0 IKAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NC3CCCCCC3)cc2N(C)C1=O ZINC000020179701 569354966 /nfs/dbraw/zinc/35/49/66/569354966.db2.gz RMTQHDMGWIEHLH-XQNSMLJCSA-N 0 0 436.577 5.257 50 0 IKAARN C[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2)c1ccccc1 ZINC000020180337 569354990 /nfs/dbraw/zinc/35/49/90/569354990.db2.gz BZGLIOOIVJWQMU-VBHMAFOESA-N 0 0 448.975 5.941 50 0 IKAARN CN1c2cc(C(=O)N3CCCCCC3)ccc2S/C(=C\c2ccccc2Cl)C1=O ZINC000020180275 569354999 /nfs/dbraw/zinc/35/49/99/569354999.db2.gz NIXOGFXTKIRYMT-QNGOZBTKSA-N 0 0 426.969 5.466 50 0 IKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3N(C)C2=O)c1 ZINC000020180048 569355000 /nfs/dbraw/zinc/35/50/00/569355000.db2.gz DACVRZQOEKVWBO-LUAYUNIQSA-N 0 0 434.605 5.659 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2N(C)C1=O ZINC000020180131 569355021 /nfs/dbraw/zinc/35/50/21/569355021.db2.gz DXQMFMPRBFSSHT-SMZLLJHBSA-N 0 0 434.605 5.659 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NC4CCC(C)CC4)cc3N(C)C2=O)c1 ZINC000020180455 569355105 /nfs/dbraw/zinc/35/51/05/569355105.db2.gz VKYJHDHFQTZTHN-UCQKPKSFSA-N 0 0 436.577 5.113 50 0 IKAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCC1=CCCCC1 ZINC000020180680 569355117 /nfs/dbraw/zinc/35/51/17/569355117.db2.gz UMGIGAPYQDBBQW-XQNSMLJCSA-N 0 0 436.939 5.113 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)[C@@H]1C ZINC000020180670 569355125 /nfs/dbraw/zinc/35/51/25/569355125.db2.gz RIRWKPPHAPJVAF-NLECEDCQSA-N 0 0 438.955 5.047 50 0 IKAARN C[C@@H](NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)c1ccccc1 ZINC000020181021 569355221 /nfs/dbraw/zinc/35/52/21/569355221.db2.gz ATZNEQXIZXTMEP-HAFIMRKLSA-N 0 0 448.975 5.697 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181123 569355244 /nfs/dbraw/zinc/35/52/44/569355244.db2.gz IEOAQIRLOAXWBE-CBCLUANDSA-N 0 0 440.996 5.324 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181125 569355251 /nfs/dbraw/zinc/35/52/51/569355251.db2.gz IEOAQIRLOAXWBE-BBDDYXILSA-N 0 0 440.996 5.324 50 0 IKAARN CN(Cc1ccccc1)C(=O)CN1c2ccccc2S/C(=C/c2cccc(Cl)c2)C1=O ZINC000020181115 569355267 /nfs/dbraw/zinc/35/52/67/569355267.db2.gz GXKNWICSMXKICW-HZHRSRAPSA-N 0 0 448.975 5.478 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccccc2N(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1=O ZINC000020181425 569355289 /nfs/dbraw/zinc/35/52/89/569355289.db2.gz PFZFIOBKSKHQJJ-LSIBRJLISA-N 0 0 434.605 5.416 50 0 IKAARN C[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)c1ccccc1 ZINC000020181153 569355294 /nfs/dbraw/zinc/35/52/94/569355294.db2.gz ZUTSQMMSBOFMJM-XMSCMFJESA-N 0 0 432.520 5.183 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)[C@@H]1C ZINC000020181168 569355307 /nfs/dbraw/zinc/35/53/07/569355307.db2.gz NIVOOVJIAXRMQY-HCRLRLPNSA-N 0 0 438.568 5.246 50 0 IKAARN C[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)c1ccccc1 ZINC000020181338 569355317 /nfs/dbraw/zinc/35/53/17/569355317.db2.gz FAUMEDRWWOZSOP-BDFKGGEMSA-N 0 0 448.975 5.697 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181355 569355332 /nfs/dbraw/zinc/35/53/32/569355332.db2.gz KKUKXZWLFJEHQZ-ISXIEHEGSA-N 0 0 440.996 5.515 50 0 IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000020181628 569355382 /nfs/dbraw/zinc/35/53/82/569355382.db2.gz YNZUHQZVVOGLKQ-LWTMIWEOSA-N 0 0 434.605 5.424 50 0 IKAARN Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2cc(C(F)(F)F)ccc32)cc1 ZINC000020183484 569355482 /nfs/dbraw/zinc/35/54/82/569355482.db2.gz PWDFUPPYPXASDH-UHFFFAOYSA-N 0 0 437.852 7.221 50 0 IKAARN COc1cc(Cl)ccc1NC(=S)N(Cc1cn(C)c2ccccc12)C1CCCCC1 ZINC000020212597 569356295 /nfs/dbraw/zinc/35/62/95/569356295.db2.gz QJFBXYUXFMTNJO-UHFFFAOYSA-N 0 0 442.028 6.372 50 0 IKAARN CCn1cc(CN(C(=S)Nc2ccc(C)c(Cl)c2)C2CCCCC2)c2ccccc21 ZINC000020212707 569356315 /nfs/dbraw/zinc/35/63/15/569356315.db2.gz WYNICGWOARWRMA-UHFFFAOYSA-N 0 0 440.056 7.155 50 0 IKAARN O=C1c2ccccc2[C@@H](Nc2ccccc2C(F)(F)F)N1Cc1ccc2c(c1)OCO2 ZINC000020213635 569356560 /nfs/dbraw/zinc/35/65/60/569356560.db2.gz JRFQRMWCJAAGRO-NRFANRHFSA-N 0 0 426.394 5.201 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(C)cc21)Cc1ccco1 ZINC000020216432 569356711 /nfs/dbraw/zinc/35/67/11/569356711.db2.gz UTYFJIOEKXODSX-UHFFFAOYSA-N 0 0 433.577 5.828 50 0 IKAARN CCN(C(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1)c1cccc(Cl)c1 ZINC000020239186 569357604 /nfs/dbraw/zinc/35/76/04/569357604.db2.gz SPSXFDVBROUMJH-UHFFFAOYSA-N 0 0 430.360 6.275 50 0 IKAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCc2ccc(Cl)cc2)cc1OC ZINC000020279819 569358624 /nfs/dbraw/zinc/35/86/24/569358624.db2.gz WRRUEZHGAFDWSR-UHFFFAOYSA-N 0 0 436.943 5.338 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N[C@@H](C)CCc3ccccc3)c12 ZINC000020283581 569358984 /nfs/dbraw/zinc/35/89/84/569358984.db2.gz ADOIIWZWQPQHMT-INIZCTEOSA-N 0 0 432.955 5.442 50 0 IKAARN COc1ccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cccc(Cl)c3)oc2c1 ZINC000020285657 569359033 /nfs/dbraw/zinc/35/90/33/569359033.db2.gz IGQGTYABFQDXIY-GYHWCHFESA-N 0 0 425.893 5.160 50 0 IKAARN COc1ccccc1N1CCN(C(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286080 569359057 /nfs/dbraw/zinc/35/90/57/569359057.db2.gz XTRXMQUOXXMFEX-UHFFFAOYSA-N 0 0 437.952 5.074 50 0 IKAARN COc1ccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccccc3Cl)oc2c1 ZINC000020285653 569359099 /nfs/dbraw/zinc/35/90/99/569359099.db2.gz DTFDTZYDETZARG-GYHWCHFESA-N 0 0 425.893 5.160 50 0 IKAARN CCc1cccc(/N=c2\oc3c(cccc3OC)cc2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020285563 569359108 /nfs/dbraw/zinc/35/91/08/569359108.db2.gz DYLLDAMJMUBPSB-QPLCGJKRSA-N 0 0 433.529 5.377 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)cc1OC ZINC000020286098 569359110 /nfs/dbraw/zinc/35/91/10/569359110.db2.gz HLCYZEXVWCQHJG-UHFFFAOYSA-N 0 0 426.925 5.093 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1ccc(Cl)c(Cl)c1 ZINC000020286172 569359152 /nfs/dbraw/zinc/35/91/52/569359152.db2.gz MFMITPBDSALIKG-UHFFFAOYSA-N 0 0 449.790 7.467 50 0 IKAARN CCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286235 569359169 /nfs/dbraw/zinc/35/91/69/569359169.db2.gz UXOPXGSIXHBBFG-UHFFFAOYSA-N 0 0 428.941 5.765 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1cccc(C(F)(F)F)c1 ZINC000020286368 569359210 /nfs/dbraw/zinc/35/92/10/569359210.db2.gz FHFVIFZASWVMAQ-UHFFFAOYSA-N 0 0 431.435 6.002 50 0 IKAARN CN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccc(Br)cc1 ZINC000020286822 569359228 /nfs/dbraw/zinc/35/92/28/569359228.db2.gz QVSITICUSZVPSW-UHFFFAOYSA-N 0 0 429.745 5.806 50 0 IKAARN Fc1ccc(CNc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)cc1 ZINC000020332366 569360965 /nfs/dbraw/zinc/36/09/65/569360965.db2.gz IJPSOBNAVBWAMP-UHFFFAOYSA-N 0 0 437.400 5.715 50 0 IKAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000020354841 569361029 /nfs/dbraw/zinc/36/10/29/569361029.db2.gz WEPUJLBVSWYUBJ-UHFFFAOYSA-N 0 0 444.531 5.849 50 0 IKAARN CCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000020355339 569361202 /nfs/dbraw/zinc/36/12/02/569361202.db2.gz NZLNSWMJGJKMLV-KGENOOAVSA-N 0 0 426.607 5.343 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1 ZINC000020355097 569361217 /nfs/dbraw/zinc/36/12/17/569361217.db2.gz ZJEONUFELPQCGV-UHFFFAOYSA-N 0 0 431.561 5.318 50 0 IKAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCCC4)cc3)C2=O)c1 ZINC000020355165 569361237 /nfs/dbraw/zinc/36/12/37/569361237.db2.gz LWIPOQDTMOFHCK-NLRVBDNBSA-N 0 0 438.527 5.198 50 0 IKAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)cc1 ZINC000020355618 569361366 /nfs/dbraw/zinc/36/13/66/569361366.db2.gz BNBDDFAZCVUXEP-CYFREDJKSA-N 0 0 438.531 5.018 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)nc1-c1ccccc1 ZINC000095348748 569361619 /nfs/dbraw/zinc/36/16/19/569361619.db2.gz KYWKDHYMOHUUFW-IAGOWNOFSA-N 0 0 434.952 5.606 50 0 IKAARN Cc1cccc(-c2nc(CS(=O)(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)no2)c1 ZINC000095350609 569362007 /nfs/dbraw/zinc/36/20/07/569362007.db2.gz YJRXOEMYTSUZGF-UHFFFAOYSA-N 0 0 440.471 5.028 50 0 IKAARN CCOc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)cc(OC)c2O3)cc1 ZINC000020380608 569362560 /nfs/dbraw/zinc/36/25/60/569362560.db2.gz VCRUCNKCIGWKOP-UHFFFAOYSA-N 0 0 445.338 5.299 50 0 IKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2NCc2ccccc2)cc1 ZINC000020382398 569362659 /nfs/dbraw/zinc/36/26/59/569362659.db2.gz ACQISXKBKDKDSB-UHFFFAOYSA-N 0 0 438.936 5.342 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1 ZINC000020382510 569362747 /nfs/dbraw/zinc/36/27/47/569362747.db2.gz IVKDKNLXCBJWLO-UHFFFAOYSA-N 0 0 444.890 5.611 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1NCc1ccc(F)cc1 ZINC000020382494 569362785 /nfs/dbraw/zinc/36/27/85/569362785.db2.gz XKBJYZJPPCDMAK-UHFFFAOYSA-N 0 0 426.900 5.472 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)cc1 ZINC000020385831 569363013 /nfs/dbraw/zinc/36/30/13/569363013.db2.gz HRDOLFNWMPQFQX-UHFFFAOYSA-N 0 0 447.560 5.677 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4c(C)cc(C)cc4C)cc32)cc1 ZINC000020385658 569363034 /nfs/dbraw/zinc/36/30/34/569363034.db2.gz DTJYZVRTJMSODP-UHFFFAOYSA-N 0 0 445.588 6.203 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4c(C)cccc4C)cc32)cc1 ZINC000020385595 569363039 /nfs/dbraw/zinc/36/30/39/569363039.db2.gz DYGLELVBEGGWHS-UHFFFAOYSA-N 0 0 431.561 5.895 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@@H](C)c4ccccc4)cc32)cc1 ZINC000020385849 569363041 /nfs/dbraw/zinc/36/30/41/569363041.db2.gz GVVNPJFVGQXSOE-SFHVURJKSA-N 0 0 431.561 5.517 50 0 IKAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000095377601 569363148 /nfs/dbraw/zinc/36/31/48/569363148.db2.gz JMLLJUHTQUYJLX-UHFFFAOYSA-N 0 0 426.954 5.851 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)Nc5cccc6ccccc65)cc4sc3n2)cc1 ZINC000020389057 569363364 /nfs/dbraw/zinc/36/33/64/569363364.db2.gz XXYOIBYEZQEMHB-UHFFFAOYSA-N 0 0 449.535 6.630 50 0 IKAARN COc1c2c(cc3c1[C@H](CC(=O)c1ccc(/C=C/c4ccccc4)cc1)N(C)CC3)OCO2 ZINC000020412089 569364212 /nfs/dbraw/zinc/36/42/12/569364212.db2.gz VLOBZNQQGKVOCU-YVSHKSEASA-N 0 0 441.527 5.396 50 0 biogenic IKAARN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000095405008 569364353 /nfs/dbraw/zinc/36/43/53/569364353.db2.gz BPLPCSLVEGMDLZ-LJQANCHMSA-N 0 0 448.588 5.584 50 0 IKAARN CCOc1cc([C@H]2c3c4ccccc4n(C)c3C(=O)N2c2ccc(OC)cc2)ccc1O ZINC000020415264 569364454 /nfs/dbraw/zinc/36/44/54/569364454.db2.gz ODSBSDDRGNGKIR-DEOSSOPVSA-N 0 0 428.488 5.041 50 0 IKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000020415949 569364551 /nfs/dbraw/zinc/36/45/51/569364551.db2.gz GGQXNZZSJMLBEM-UHFFFAOYSA-N 0 0 432.483 5.146 50 0 IKAARN Cc1c(C(=O)N2CCCCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417951 569365189 /nfs/dbraw/zinc/36/51/89/569365189.db2.gz STFKYBZYOVXWCJ-VWLOTQADSA-N 0 0 437.923 5.901 50 0 IKAARN CC[C@H](C)NC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417967 569365228 /nfs/dbraw/zinc/36/52/28/569365228.db2.gz MAUJDWRYQPULAU-RZFZLAGVSA-N 0 0 425.912 5.804 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(F)cc1)O3 ZINC000020418138 569365233 /nfs/dbraw/zinc/36/52/33/569365233.db2.gz SPLJZGIRJLKYLW-MHZLTWQESA-N 0 0 443.474 6.322 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(F)cc1)O3 ZINC000020418201 569365234 /nfs/dbraw/zinc/36/52/34/569365234.db2.gz SWFCTCQMRRKXCF-MHZLTWQESA-N 0 0 443.474 6.322 50 0 IKAARN CCn1cc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2)c2ccccc21 ZINC000020438936 569365583 /nfs/dbraw/zinc/36/55/83/569365583.db2.gz QIAOQQAAKFVBGT-UQQQWYQISA-N 0 0 437.543 5.057 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(Cc4ccccc4)c3n2)cc1 ZINC000020439883 569365772 /nfs/dbraw/zinc/36/57/72/569365772.db2.gz OEPUOAMGTORDBA-UHFFFAOYSA-N 0 0 443.472 7.141 50 0 IKAARN CC(C)Oc1cc(Br)ccc1C(=O)N1CCC(c2ccnc(C(C)C)n2)CC1 ZINC000095431482 569366349 /nfs/dbraw/zinc/36/63/49/569366349.db2.gz GNHKHWNEIKJRJG-UHFFFAOYSA-N 0 0 446.389 5.170 50 0 IKAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccccc1OC ZINC000095436498 569366547 /nfs/dbraw/zinc/36/65/47/569366547.db2.gz KISBGDCWVGIFRI-QPPBQGQZSA-N 0 0 447.535 5.069 50 0 IKAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@H]1c1ccccc1OC ZINC000095436497 569366582 /nfs/dbraw/zinc/36/65/82/569366582.db2.gz KISBGDCWVGIFRI-ZJSXRUAMSA-N 0 0 447.535 5.069 50 0 IKAARN Cc1cccc(-c2ccc(C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)c(=O)[nH]2)c1 ZINC000095453604 569368248 /nfs/dbraw/zinc/36/82/48/569368248.db2.gz ORSMIXRLVCSSFA-XMMPIXPASA-N 0 0 443.934 5.113 50 0 IKAARN O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456444 569368831 /nfs/dbraw/zinc/36/88/31/569368831.db2.gz ZRWDCSHWTXKWAQ-SFTDATJTSA-N 0 0 440.374 5.121 50 0 IKAARN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456441 569368833 /nfs/dbraw/zinc/36/88/33/569368833.db2.gz ZRWDCSHWTXKWAQ-NHCUHLMSSA-N 0 0 440.374 5.121 50 0 IKAARN CC[C@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460880 569369785 /nfs/dbraw/zinc/36/97/85/569369785.db2.gz SSZZUUQWLAQVBV-QFIPXVFZSA-N 0 0 442.567 5.718 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000095471991 569371998 /nfs/dbraw/zinc/37/19/98/569371998.db2.gz RWDMSBGYWYDIMW-UHFFFAOYSA-N 0 0 433.455 5.292 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000095472001 569372041 /nfs/dbraw/zinc/37/20/41/569372041.db2.gz MOTRKTXPFHIYAQ-UHFFFAOYSA-N 0 0 449.963 6.080 50 0 IKAARN CC(C)c1sc(Br)nc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095480008 569373815 /nfs/dbraw/zinc/37/38/15/569373815.db2.gz RJVJOUUPVLMFGS-UHFFFAOYSA-N 0 0 430.371 5.440 50 0 IKAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1sc2ccccc2c1Cl ZINC000095480311 569373935 /nfs/dbraw/zinc/37/39/35/569373935.db2.gz UYHMVLJUBIEHJH-OAHLLOKOSA-N 0 0 425.897 5.013 50 0 IKAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1sc2ccccc2c1Cl ZINC000095480312 569373948 /nfs/dbraw/zinc/37/39/48/569373948.db2.gz UYHMVLJUBIEHJH-HNNXBMFYSA-N 0 0 425.897 5.013 50 0 IKAARN Cc1ccccc1NC(=O)CCc1nc(CSc2nc3cc(Cl)ccc3o2)no1 ZINC000095481943 569374208 /nfs/dbraw/zinc/37/42/08/569374208.db2.gz QPNQVYQTYJHVNO-UHFFFAOYSA-N 0 0 428.901 5.036 50 0 IKAARN Cc1cccc(-c2nc3ccc(C(=O)NC[C@H]4CCCO4)cc3nc2-c2cccc(C)c2)c1 ZINC000020616483 569374702 /nfs/dbraw/zinc/37/47/02/569374702.db2.gz UPMPUUDYKRPKAE-HSZRJFAPSA-N 0 0 437.543 5.489 50 0 IKAARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000095939603 569375316 /nfs/dbraw/zinc/37/53/16/569375316.db2.gz JKJDGDFNXYOZJJ-HXUWFJFHSA-N 0 0 432.574 5.750 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1cccs1 ZINC000095945265 569375765 /nfs/dbraw/zinc/37/57/65/569375765.db2.gz AKOORTOSILBTON-HXUWFJFHSA-N 0 0 447.947 5.608 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000095945310 569375788 /nfs/dbraw/zinc/37/57/88/569375788.db2.gz JJWGDMMZJPPABL-JOCHJYFZSA-N 0 0 438.886 5.488 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2nc(-c3ccc(F)cc3)no2)Cc2ccccc2)c1 ZINC000095947049 569376293 /nfs/dbraw/zinc/37/62/93/569376293.db2.gz PLBPRIDBWDXTFS-GOSISDBHSA-N 0 0 444.510 5.598 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2nc(-c3ccc(F)cc3)no2)Cc2ccccc2)c1 ZINC000095947048 569376325 /nfs/dbraw/zinc/37/63/25/569376325.db2.gz PLBPRIDBWDXTFS-SFHVURJKSA-N 0 0 444.510 5.598 50 0 IKAARN C[C@@H]1CN(c2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cc2)C[C@@H](C)O1 ZINC000095957195 569376802 /nfs/dbraw/zinc/37/68/02/569376802.db2.gz PSVNWGQGOJNVSA-NXEZZACHSA-N 0 0 449.165 5.561 50 0 IKAARN COc1ccc2[nH]cc(C3CCN(C(=O)COc4ccc(Cl)c5cccnc45)CC3)c2c1 ZINC000095954697 569376858 /nfs/dbraw/zinc/37/68/58/569376858.db2.gz HILUIOIGNITTKI-UHFFFAOYSA-N 0 0 449.938 5.163 50 0 IKAARN COCc1nc2scc(-c3ccccc3)c2c(N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000095957734 569376961 /nfs/dbraw/zinc/37/69/61/569376961.db2.gz WUVIDSXXKNQPKJ-FQEVSTJZSA-N 0 0 435.524 5.222 50 0 IKAARN O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1csc(Cc2ccccc2)n1 ZINC000096006639 569379443 /nfs/dbraw/zinc/37/94/43/569379443.db2.gz PGVLMPPPMKESJE-UHFFFAOYSA-N 0 0 428.439 5.191 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000096008129 569379592 /nfs/dbraw/zinc/37/95/92/569379592.db2.gz GTUDRRUNOQEARX-OAQYLSRUSA-N 0 0 444.453 5.202 50 0 IKAARN COc1ccccc1C1=NN(C(C)=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccsc2)C1 ZINC000096012506 569380009 /nfs/dbraw/zinc/38/00/09/569380009.db2.gz AOAWERVDHAENQP-HSZRJFAPSA-N 0 0 442.544 5.307 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000096012656 569380109 /nfs/dbraw/zinc/38/01/09/569380109.db2.gz VGBBKINMKRASIP-CQSZACIVSA-N 0 0 430.217 5.041 50 0 IKAARN Brc1ccccc1-c1nnc(CN2CC=C(c3cncc4ccccc43)CC2)o1 ZINC000096012869 569380133 /nfs/dbraw/zinc/38/01/33/569380133.db2.gz HXRDVHXAIXXLPM-UHFFFAOYSA-N 0 0 447.336 5.337 50 0 IKAARN COc1ccc(-c2noc(CCN(C(=O)/C=C/c3ccccc3)C3CCCCC3)n2)cc1 ZINC000096096118 569381194 /nfs/dbraw/zinc/38/11/94/569381194.db2.gz FWNHFUBEDWAGNB-SFQUDFHCSA-N 0 0 431.536 5.162 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096096124 569381216 /nfs/dbraw/zinc/38/12/16/569381216.db2.gz GKAYPOJVESGBRE-UPMCQBDUSA-N 0 0 429.907 5.503 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096096123 569381224 /nfs/dbraw/zinc/38/12/24/569381224.db2.gz GKAYPOJVESGBRE-GSTVHYHFSA-N 0 0 429.907 5.503 50 0 IKAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)CSc1nc2ccccc2s1 ZINC000096102825 569381921 /nfs/dbraw/zinc/38/19/21/569381921.db2.gz LECLKQZPHAQJKS-UHFFFAOYSA-N 0 0 425.604 5.445 50 0 IKAARN COc1ccc(C2(C(=O)N[C@H]3CCCc4c5cccc(Cl)c5[nH]c43)CCOCC2)cc1 ZINC000096114672 569383069 /nfs/dbraw/zinc/38/30/69/569383069.db2.gz IMXUHUCCCXSVBG-NRFANRHFSA-N 0 0 438.955 5.072 50 0 biogenic IKAARN CC(C)Oc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000096115370 569383355 /nfs/dbraw/zinc/38/33/55/569383355.db2.gz YJVPGCBTCMTAJV-RCZVLFRGSA-N 0 0 441.483 5.112 50 0 biogenic IKAARN CCOc1cc(/C=C\C(=O)N(Cc2ccco2)Cc2cccs2)ccc1OC(F)F ZINC000096117716 569384325 /nfs/dbraw/zinc/38/43/25/569384325.db2.gz NVGAECLFWMFWCB-NTMALXAHSA-N 0 0 433.476 5.583 50 0 IKAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1ccn2Cc1ccccc1 ZINC000096118721 569384585 /nfs/dbraw/zinc/38/45/85/569384585.db2.gz ACHSDIUCUGJDEL-UHFFFAOYSA-N 0 0 436.515 5.241 50 0 IKAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000096118621 569384606 /nfs/dbraw/zinc/38/46/06/569384606.db2.gz VEZOMZNBSOAXHK-KRWDZBQOSA-N 0 0 446.378 5.131 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)C1(c2cccs2)CCCC1 ZINC000096119620 569384693 /nfs/dbraw/zinc/38/46/93/569384693.db2.gz FBMCZXWKPVCVCD-UHFFFAOYSA-N 0 0 430.533 5.234 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccccc3Cc3nc(-c4cccs4)no3)oc21 ZINC000096119724 569384777 /nfs/dbraw/zinc/38/47/77/569384777.db2.gz UNJAQAPYFUZDHM-UHFFFAOYSA-N 0 0 431.473 5.396 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccccc1Br ZINC000096119733 569384778 /nfs/dbraw/zinc/38/47/78/569384778.db2.gz VSEASUDYOVZYJR-UHFFFAOYSA-N 0 0 440.322 5.404 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119669 569384787 /nfs/dbraw/zinc/38/47/87/569384787.db2.gz RYSFZDZRRNXNKT-UHFFFAOYSA-N 0 0 444.274 5.245 50 0 IKAARN COc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1OC ZINC000096119762 569384833 /nfs/dbraw/zinc/38/48/33/569384833.db2.gz SYYSFBDFZJGKQR-UHFFFAOYSA-N 0 0 436.493 5.050 50 0 IKAARN CSc1nnc(CCCNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)n1C1CCCC1 ZINC000096124654 569385535 /nfs/dbraw/zinc/38/55/35/569385535.db2.gz FAONCNOGHTVCDC-LUAWRHEFSA-N 0 0 439.412 5.184 50 0 IKAARN CC(=O)N(c1nc(COC(=O)/C=C\c2ccc(C)s2)cs1)c1ccc(C)cc1C ZINC000096124571 569385541 /nfs/dbraw/zinc/38/55/41/569385541.db2.gz PIWRYTCZNWBGAQ-NTMALXAHSA-N 0 0 426.563 5.571 50 0 IKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C\c1cc(Br)ccc1F ZINC000096180084 569386088 /nfs/dbraw/zinc/38/60/88/569386088.db2.gz ULWLMRDZOAEFGZ-BAQGIRSFSA-N 0 0 428.261 5.131 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1Br ZINC000096194500 569386322 /nfs/dbraw/zinc/38/63/22/569386322.db2.gz QWXOUQNJMMRFJH-RUZDIDTESA-N 0 0 442.356 6.636 50 0 IKAARN O=C(C1CCC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000096203912 569386446 /nfs/dbraw/zinc/38/64/46/569386446.db2.gz ZNWFOPDFOZLYFY-HXUWFJFHSA-N 0 0 434.433 5.166 50 0 IKAARN COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2cccc(Cl)c2)cc1C(F)(F)F ZINC000096203763 569386457 /nfs/dbraw/zinc/38/64/57/569386457.db2.gz LEYKQBMFFYWSAA-HXUWFJFHSA-N 0 0 434.845 5.414 50 0 IKAARN COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1C(F)(F)F ZINC000096203762 569386472 /nfs/dbraw/zinc/38/64/72/569386472.db2.gz LEYKQBMFFYWSAA-FQEVSTJZSA-N 0 0 434.845 5.414 50 0 IKAARN CCCN(C)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000096211893 569386698 /nfs/dbraw/zinc/38/66/98/569386698.db2.gz OHODVNDGQQUCON-UHFFFAOYSA-N 0 0 426.630 5.052 50 0 IKAARN COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCc4c5cc(OC)ccc5[nH]c43)cs2)cc1 ZINC000096223575 569387377 /nfs/dbraw/zinc/38/73/77/569387377.db2.gz VFYVHGLBBLFGMW-JOCHJYFZSA-N 0 0 447.560 5.045 50 0 IKAARN COc1ccc(C2(C(=O)N[C@H]3CCCc4c5cc(Cl)ccc5[nH]c43)CCOCC2)cc1 ZINC000096231589 569387569 /nfs/dbraw/zinc/38/75/69/569387569.db2.gz VCJRPCHCNZWORW-QFIPXVFZSA-N 0 0 438.955 5.072 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000096274861 569388124 /nfs/dbraw/zinc/38/81/24/569388124.db2.gz WPHYJMUYUPDTIG-KRWDZBQOSA-N 0 0 443.761 7.289 50 0 IKAARN COCCNC(=O)C[C@@H](Cc1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096274247 569388207 /nfs/dbraw/zinc/38/82/07/569388207.db2.gz AZUGVDFMWKNDSO-HSZRJFAPSA-N 0 0 444.550 5.308 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096275318 569388236 /nfs/dbraw/zinc/38/82/36/569388236.db2.gz SPWMNVKHOLWWJT-DEOSSOPVSA-N 0 0 428.551 6.123 50 0 IKAARN COc1ccc([C@@H](CC(=O)N2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096275341 569388262 /nfs/dbraw/zinc/38/82/62/569388262.db2.gz ZODUNKSQSZPXBZ-AREMUKBSSA-N 0 0 438.571 5.843 50 0 IKAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275577 569388264 /nfs/dbraw/zinc/38/82/64/569388264.db2.gz OAOLOOMILBQROB-IBGZPJMESA-N 0 0 442.437 5.627 50 0 IKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)NCc1ccco1 ZINC000096275301 569388324 /nfs/dbraw/zinc/38/83/24/569388324.db2.gz ZNOQFHIAQITQFA-SANMLTNESA-N 0 0 440.587 6.653 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3ccco3)cc3cc(NC(=O)C(C)C)ccc32)c1 ZINC000096275243 569388328 /nfs/dbraw/zinc/38/83/28/569388328.db2.gz GPJMOOBSUHQYIR-UHFFFAOYSA-N 0 0 429.520 5.116 50 0 IKAARN COc1ccccc1[C@@H](CC(=O)NCC(C)C)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096275329 569388332 /nfs/dbraw/zinc/38/83/32/569388332.db2.gz IMVBNZMRIGAILV-RUZDIDTESA-N 0 0 440.587 5.992 50 0 IKAARN CCOc1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275784 569388404 /nfs/dbraw/zinc/38/84/04/569388404.db2.gz OXKKQIVYBAIWNN-VWLOTQADSA-N 0 0 426.560 5.967 50 0 IKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)N1CCCC1 ZINC000096275604 569388434 /nfs/dbraw/zinc/38/84/34/569388434.db2.gz TWSZRVYJTPSKNL-DEOSSOPVSA-N 0 0 426.535 5.973 50 0 IKAARN COc1ccc(C(=O)N(CCc2nc(-c3ccccc3)no2)[C@H](C)c2ccccc2)cc1 ZINC000096275710 569388438 /nfs/dbraw/zinc/38/84/38/569388438.db2.gz KRACJAAXLSPJHR-LJQANCHMSA-N 0 0 427.504 5.191 50 0 IKAARN CC[C@H](C)N(CCc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096276233 569388480 /nfs/dbraw/zinc/38/84/80/569388480.db2.gz QCAQLPYDYOFUKJ-HNNXBMFYSA-N 0 0 447.457 5.247 50 0 IKAARN CCN1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CC1 ZINC000096276156 569388547 /nfs/dbraw/zinc/38/85/47/569388547.db2.gz ICIMWFNJQOBRGE-IBGZPJMESA-N 0 0 430.379 5.161 50 0 IKAARN COCCNC(=O)C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Oc2ccccc2)c1 ZINC000096276861 569388634 /nfs/dbraw/zinc/38/86/34/569388634.db2.gz OKXGZONNIKTNNC-QFIPXVFZSA-N 0 0 448.950 5.898 50 0 IKAARN Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)CCc3ccccc3)n2)cc1 ZINC000096277274 569388738 /nfs/dbraw/zinc/38/87/38/569388738.db2.gz OWBVYKXZHWOFQG-UHFFFAOYSA-N 0 0 425.532 5.249 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000096277349 569388742 /nfs/dbraw/zinc/38/87/42/569388742.db2.gz YMZZHDCSGOGARG-UHFFFAOYSA-N 0 0 441.409 5.234 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096277747 569388851 /nfs/dbraw/zinc/38/88/51/569388851.db2.gz BTCBZUYUTGJEIO-KPZWWZAWSA-N 0 0 447.413 5.001 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096277745 569388854 /nfs/dbraw/zinc/38/88/54/569388854.db2.gz BTCBZUYUTGJEIO-SGTLLEGYSA-N 0 0 447.413 5.001 50 0 IKAARN Cc1ccccc1NC(=O)NCCNc1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000096277686 569388867 /nfs/dbraw/zinc/38/88/67/569388867.db2.gz VKZVGNWTEAIFMC-UHFFFAOYSA-N 0 0 431.927 5.492 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096277746 569388886 /nfs/dbraw/zinc/38/88/86/569388886.db2.gz BTCBZUYUTGJEIO-KZULUSFZSA-N 0 0 447.413 5.001 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3cccc(Cl)c3)no2)Cc2ccccc2)cc1 ZINC000096277840 569388890 /nfs/dbraw/zinc/38/88/90/569388890.db2.gz WUSLXYVODCOODJ-UHFFFAOYSA-N 0 0 431.923 5.584 50 0 IKAARN C[C@@H](c1ccccc1)N(CCc1nc(-c2ccc(N(C)C)cc2)no1)C(=O)c1cccs1 ZINC000096278121 569388932 /nfs/dbraw/zinc/38/89/32/569388932.db2.gz MWADDNVLERHYMV-SFHVURJKSA-N 0 0 446.576 5.310 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277913 569388967 /nfs/dbraw/zinc/38/89/67/569388967.db2.gz VZFLKQAZFBFHJK-SCLBCKFNSA-N 0 0 433.430 5.281 50 0 IKAARN C[C@@H](c1ccccc1)N(CCc1nc(-c2ccccc2)no1)C(=O)COCc1ccccc1 ZINC000096278714 569389087 /nfs/dbraw/zinc/38/90/87/569389087.db2.gz YRYNVFPGAANWRL-NRFANRHFSA-N 0 0 441.531 5.086 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3cccc(F)c3)cc2)ccc1F ZINC000096278468 569389094 /nfs/dbraw/zinc/38/90/94/569389094.db2.gz RBXLUIHGAOMNBC-UHFFFAOYSA-N 0 0 448.473 5.560 50 0 IKAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCc3ccccc3)n2Cc2cccc(F)c2)c1 ZINC000096278537 569389095 /nfs/dbraw/zinc/38/90/95/569389095.db2.gz NJOYUZUJYXBGPQ-UHFFFAOYSA-N 0 0 429.495 5.107 50 0 IKAARN Cc1ccc(-c2noc(CCN(CC(C)C)C(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000096278364 569389103 /nfs/dbraw/zinc/38/91/03/569389103.db2.gz MOKABCBMAPYOGA-UHFFFAOYSA-N 0 0 431.458 5.405 50 0 IKAARN COc1ccc(Cn2cc([C@H](CC(=O)NCc3ccco3)C(C)(C)C)c3ccccc32)cc1 ZINC000096278270 569389133 /nfs/dbraw/zinc/38/91/33/569389133.db2.gz DZARAHRFQCFENZ-VWLOTQADSA-N 0 0 444.575 6.127 50 0 IKAARN O=S(=O)(Oc1ccccc1-c1nc2ccccc2o1)c1ccccc1OC(F)(F)F ZINC000096279058 569389190 /nfs/dbraw/zinc/38/91/90/569389190.db2.gz OKVFANDMGYJPMQ-UHFFFAOYSA-N 0 0 435.379 5.161 50 0 IKAARN COc1ccc(Cn2cc([C@@H](CC(=O)N3CCOCC3)C(C)(C)C)c3ccccc32)cc1 ZINC000096278985 569389196 /nfs/dbraw/zinc/38/91/96/569389196.db2.gz SFEJOHBQEWHISW-XMMPIXPASA-N 0 0 434.580 5.077 50 0 IKAARN CCCn1c(C(=O)NCc2ccncc2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 ZINC000096278806 569389204 /nfs/dbraw/zinc/38/92/04/569389204.db2.gz FNIQSNVRNQMQKG-UHFFFAOYSA-N 0 0 440.547 5.245 50 0 IKAARN Cc1ccc2oc(-c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3Cl)nc2c1 ZINC000096279076 569389216 /nfs/dbraw/zinc/38/92/16/569389216.db2.gz QRDMICBKENKFRZ-UHFFFAOYSA-N 0 0 434.300 5.878 50 0 IKAARN COc1ccccc1S(=O)(=O)Oc1ccc(C)cc1-c1nc2cc(Cl)ccc2o1 ZINC000096279098 569389224 /nfs/dbraw/zinc/38/92/24/569389224.db2.gz PKGJYKVOEZLKRF-UHFFFAOYSA-N 0 0 429.881 5.233 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)ccc3Cl)nc2c1 ZINC000096279172 569389317 /nfs/dbraw/zinc/38/93/17/569389317.db2.gz PSDLXWNGGWUYPL-UHFFFAOYSA-N 0 0 444.840 7.036 50 0 IKAARN COc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2cc(C)ccc2o1 ZINC000096279315 569389319 /nfs/dbraw/zinc/38/93/19/569389319.db2.gz ZRIJEBPQYYSJGW-UHFFFAOYSA-N 0 0 429.881 5.233 50 0 IKAARN Cc1ccc2oc(-c3cc(C)ccc3OS(=O)(=O)c3ccc(Cl)cc3Cl)nc2c1 ZINC000096279306 569389358 /nfs/dbraw/zinc/38/93/58/569389358.db2.gz IACNSNFWZGHVFN-UHFFFAOYSA-N 0 0 448.327 6.186 50 0 IKAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C(=O)c1ccco1)C1CCCCC1 ZINC000096279474 569389433 /nfs/dbraw/zinc/38/94/33/569389433.db2.gz VKYXCKRLUKQHEJ-UHFFFAOYSA-N 0 0 435.524 5.166 50 0 IKAARN Cc1ccccc1Cn1c(C(=O)NCc2ccco2)cc2scc(Br)c21 ZINC000096280413 569389607 /nfs/dbraw/zinc/38/96/07/569389607.db2.gz DUKCMHBVQRBXIW-UHFFFAOYSA-N 0 0 429.339 5.345 50 0 IKAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 ZINC000096281153 569389835 /nfs/dbraw/zinc/38/98/35/569389835.db2.gz FXVWGOSNUYSKQL-CLJLJLNGSA-N 0 0 448.607 5.035 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1csc(-c2ccccc2OCc2ccc(F)cc2F)n1 ZINC000096281557 569389956 /nfs/dbraw/zinc/38/99/56/569389956.db2.gz PCMGKWZISVHLHC-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN Cc1cccc(COc2cccc(-c3nc(C(=O)Nc4cc(C)ccc4F)cs3)c2)c1 ZINC000096281622 569390029 /nfs/dbraw/zinc/39/00/29/569390029.db2.gz OWMBNAAWGPHTME-UHFFFAOYSA-N 0 0 432.520 6.397 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)c1 ZINC000096281722 569390034 /nfs/dbraw/zinc/39/00/34/569390034.db2.gz NWAMEKKVGCISGG-UHFFFAOYSA-N 0 0 427.548 5.317 50 0 IKAARN O=C(Nc1ccccc1Cl)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 ZINC000096281626 569390040 /nfs/dbraw/zinc/39/00/40/569390040.db2.gz BWPUIFLAXFMYMQ-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN Cc1ccc(F)c(NC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4)cc3)n2)c1 ZINC000096281608 569390061 /nfs/dbraw/zinc/39/00/61/569390061.db2.gz FGYXRIWOLWZLRI-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000096281609 569390070 /nfs/dbraw/zinc/39/00/70/569390070.db2.gz AMKISWWLBHSKRQ-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN Cc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cc(C)ccc2F)CC3)cc1 ZINC000096281829 569390153 /nfs/dbraw/zinc/39/01/53/569390153.db2.gz ZIRLCPDLCMJATA-UHFFFAOYSA-N 0 0 446.570 5.573 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)c3)oc2c1 ZINC000096286806 569390174 /nfs/dbraw/zinc/39/01/74/569390174.db2.gz HUVXYQMSQNROCL-UHFFFAOYSA-N 0 0 434.923 6.399 50 0 IKAARN Cc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccccc2Cl)CC3)cc1 ZINC000096281828 569390206 /nfs/dbraw/zinc/39/02/06/569390206.db2.gz QBIYRHRTTJZGBQ-UHFFFAOYSA-N 0 0 448.998 5.779 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000096286797 569390207 /nfs/dbraw/zinc/39/02/07/569390207.db2.gz RUVBBCHHUVHJCN-UHFFFAOYSA-N 0 0 441.314 6.679 50 0 IKAARN CCCN(C)C(=O)c1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000096287129 569390296 /nfs/dbraw/zinc/39/02/96/569390296.db2.gz PVMIXDZBSDCJMI-UHFFFAOYSA-N 0 0 446.576 5.361 50 0 IKAARN NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000096287486 569390329 /nfs/dbraw/zinc/39/03/29/569390329.db2.gz JQTKTVAQVLPJAN-OAQYLSRUSA-N 0 0 440.440 5.855 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N[C@H](C)CC)CC(C)C)n1 ZINC000096287278 569390357 /nfs/dbraw/zinc/39/03/57/569390357.db2.gz LRHNDVTXMRQSER-CQSZACIVSA-N 0 0 425.404 5.266 50 0 IKAARN CC[C@@H](C)NC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000096289026 569390535 /nfs/dbraw/zinc/39/05/35/569390535.db2.gz GCOLKFLMZSJKKN-GOSISDBHSA-N 0 0 431.967 6.169 50 0 IKAARN Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CCC(=O)NCC(C)C)n3c2)c1 ZINC000096289018 569390541 /nfs/dbraw/zinc/39/05/41/569390541.db2.gz QGYWFFMYVKWRCA-UHFFFAOYSA-N 0 0 445.994 6.335 50 0 IKAARN CC(C)CNC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000096289034 569390542 /nfs/dbraw/zinc/39/05/42/569390542.db2.gz KCQWTPBZLXNLLE-UHFFFAOYSA-N 0 0 431.967 6.027 50 0 IKAARN COCCCNC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000096289022 569390546 /nfs/dbraw/zinc/39/05/46/569390546.db2.gz RPHBQUGOEAPNCR-UHFFFAOYSA-N 0 0 447.966 5.407 50 0 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Cc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(Br)c1 ZINC000002647054 569414346 /nfs/dbraw/zinc/41/43/46/569414346.db2.gz CQKDKUYRWOBZAK-UHFFFAOYSA-N 0 0 430.729 6.242 50 0 IKAARN Cc1cc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)c(C)n1CCc1ccc(F)cc1 ZINC000002646528 569414354 /nfs/dbraw/zinc/41/43/54/569414354.db2.gz SBYYHWLVPMNTNH-UHFFFAOYSA-N 0 0 449.551 6.125 50 0 IKAARN CCOc1ccc(C(C)=O)cc1COc1ccc(Br)cc1Br ZINC000002647698 569414451 /nfs/dbraw/zinc/41/44/51/569414451.db2.gz IWQGLBSYVKAZGO-UHFFFAOYSA-N 0 0 428.120 5.392 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000002649332 569414517 /nfs/dbraw/zinc/41/45/17/569414517.db2.gz RGWUPTVIUAHKCR-UHFFFAOYSA-N 0 0 442.515 5.479 50 0 IKAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000002649368 569414558 /nfs/dbraw/zinc/41/45/58/569414558.db2.gz QNTIZRVUWIQVHN-UHFFFAOYSA-N 0 0 426.472 5.108 50 0 IKAARN c1sc(-c2ccccc2)nc1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000002648665 569414569 /nfs/dbraw/zinc/41/45/69/569414569.db2.gz 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Cc1nc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc43)cc2s1 ZINC000002650829 569414903 /nfs/dbraw/zinc/41/49/03/569414903.db2.gz BNHZCMBCBDHSQD-UHFFFAOYSA-N 0 0 429.932 6.726 50 0 IKAARN Cc1ccc(SCC(=O)Nc2ccc(Br)cc2Br)cc1C ZINC000002652337 569414954 /nfs/dbraw/zinc/41/49/54/569414954.db2.gz VPEMPUOJSGBUHI-UHFFFAOYSA-N 0 0 429.177 5.559 50 0 IKAARN CSc1ccc(Cl)c(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1 ZINC000002652296 569414975 /nfs/dbraw/zinc/41/49/75/569414975.db2.gz OSOFAWDOMPJFFG-UHFFFAOYSA-N 0 0 426.950 6.716 50 0 IKAARN O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002653242 569415097 /nfs/dbraw/zinc/41/50/97/569415097.db2.gz IBNJSVSOUYTPHX-UHFFFAOYSA-N 0 0 430.278 6.896 50 0 IKAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002652910 569415109 /nfs/dbraw/zinc/41/51/09/569415109.db2.gz CMYKFGGTRFTKJP-SECBINFHSA-N 0 0 439.393 5.391 50 0 IKAARN COc1ccc(CN(C)Cn2nc(-c3cccnc3)n(-c3ccc(C)cc3C)c2=S)cc1 ZINC000002653983 569415222 /nfs/dbraw/zinc/41/52/22/569415222.db2.gz 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Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000002661342 569416165 /nfs/dbraw/zinc/41/61/65/569416165.db2.gz VIFGAQSOLFDUPZ-UHFFFAOYSA-N 0 0 425.897 5.089 50 0 IKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3nnc(C4CC4)s3)c2c1C ZINC000002661819 569416172 /nfs/dbraw/zinc/41/61/72/569416172.db2.gz BRCGIOHWJGXUML-UHFFFAOYSA-N 0 0 439.591 5.441 50 0 IKAARN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000002663149 569416290 /nfs/dbraw/zinc/41/62/90/569416290.db2.gz FHLAMESCXJKTOD-UHFFFAOYSA-N 0 0 436.577 5.068 50 0 IKAARN Nc1cccc2c1C(=O)N(C(=O)c1oc3ccccc3c1CSC1CCCCC1)C2=O ZINC000002663073 569416297 /nfs/dbraw/zinc/41/62/97/569416297.db2.gz JBZFAVPJZKNXQK-UHFFFAOYSA-N 0 0 434.517 5.017 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)n2)cc1 ZINC000002663952 569416317 /nfs/dbraw/zinc/41/63/17/569416317.db2.gz ICLNRQZWFIPBKG-UHFFFAOYSA-N 0 0 427.485 5.879 50 0 IKAARN C=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)cc1 ZINC000002667676 569416559 /nfs/dbraw/zinc/41/65/59/569416559.db2.gz QCEZTDPLJSSMSY-UHFFFAOYSA-N 0 0 433.301 6.445 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)N(c1ccccc1)c1ccccc1 ZINC000002666291 569416574 /nfs/dbraw/zinc/41/65/74/569416574.db2.gz MIVCPWUKDDLFHP-UHFFFAOYSA-N 0 0 433.463 6.797 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000002666284 569416598 /nfs/dbraw/zinc/41/65/98/569416598.db2.gz AIWDHALZIAUMJG-JLHYYAGUSA-N 0 0 425.465 5.689 50 0 IKAARN COc1ccccc1-c1c(C)oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1=O ZINC000002667596 569416600 /nfs/dbraw/zinc/41/66/00/569416600.db2.gz PUZUZDZOCLJMLW-UHFFFAOYSA-N 0 0 441.310 6.663 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000002669391 569416602 /nfs/dbraw/zinc/41/66/02/569416602.db2.gz GZRPASCUIUTBNA-UHFFFAOYSA-N 0 0 427.356 6.375 50 0 IKAARN O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccccc3F)ccc12 ZINC000002667609 569416632 /nfs/dbraw/zinc/41/66/32/569416632.db2.gz RSIHSRVMCOIISB-UHFFFAOYSA-N 0 0 425.253 5.941 50 0 IKAARN Cc1oc2cc(OCc3c(Cl)cccc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002666272 569416637 /nfs/dbraw/zinc/41/66/37/569416637.db2.gz DPOWFXJGDARRCO-UHFFFAOYSA-N 0 0 445.729 7.308 50 0 IKAARN Cc1oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002666271 569416649 /nfs/dbraw/zinc/41/66/49/569416649.db2.gz LCENRZPKHXELIO-UHFFFAOYSA-N 0 0 445.729 7.308 50 0 IKAARN c1sc2ncnc(Nc3ccc4c(c3)OCCO4)c2c1-c1ccc(-c2ccccc2)cc1 ZINC000002679640 569416687 /nfs/dbraw/zinc/41/66/87/569416687.db2.gz IDCOKCPREYEZGT-UHFFFAOYSA-N 0 0 437.524 6.540 50 0 IKAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000002679480 569416707 /nfs/dbraw/zinc/41/67/07/569416707.db2.gz SZJPKDXVFYNEIA-UHFFFAOYSA-N 0 0 440.977 5.773 50 0 IKAARN Clc1ccc(OCCSc2ncnc3scc(-c4ccccc4)c32)c(Cl)c1 ZINC000002679322 569416728 /nfs/dbraw/zinc/41/67/28/569416728.db2.gz ZMZZAMILAYEPAA-UHFFFAOYSA-N 0 0 433.385 6.836 50 0 IKAARN O=C(C=Cc1ccccc1)OCC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000002684837 569416832 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Cc1nn(-c2ccccc2)c(OC(=O)COc2ccccc2)c1Sc1ccc(C)cc1 ZINC000002718534 569418013 /nfs/dbraw/zinc/41/80/13/569418013.db2.gz YANFVQJTWNCUQJ-UHFFFAOYSA-N 0 0 430.529 5.625 50 0 IKAARN CCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721716 569418168 /nfs/dbraw/zinc/41/81/68/569418168.db2.gz ZRVCDVZQNVPBQP-UHFFFAOYSA-N 0 0 438.368 5.357 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)NCc1ccccc1 ZINC000002722411 569418300 /nfs/dbraw/zinc/41/83/00/569418300.db2.gz QBSMWPFKTMBVOV-UHFFFAOYSA-N 0 0 428.605 5.299 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1cc(C)ccc1C ZINC000002722351 569418357 /nfs/dbraw/zinc/41/83/57/569418357.db2.gz COVFOAQKWAURMV-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN CC[C@H](C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000002724477 569418412 /nfs/dbraw/zinc/41/84/12/569418412.db2.gz MXDLNYVHCBJMFL-RDPSFJRHSA-N 0 0 436.914 5.543 50 0 IKAARN O=C(Nc1ccc(F)cc1F)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725454 569418421 /nfs/dbraw/zinc/41/84/21/569418421.db2.gz OTEJDWMMIFVAFZ-UHFFFAOYSA-N 0 0 429.128 5.081 50 0 IKAARN CCCCc1ccc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)cc1 ZINC000002725434 569418448 /nfs/dbraw/zinc/41/84/48/569418448.db2.gz VWBUJYAWCVJWPM-UHFFFAOYSA-N 0 0 449.256 6.145 50 0 IKAARN CCOc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725444 569418464 /nfs/dbraw/zinc/41/84/64/569418464.db2.gz QLNRTXDJBFWGRO-UHFFFAOYSA-N 0 0 437.201 5.201 50 0 IKAARN O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002725295 569418473 /nfs/dbraw/zinc/41/84/73/569418473.db2.gz UYUIQAJVRMBHPA-UHFFFAOYSA-N 0 0 428.410 5.086 50 0 IKAARN O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N(C1CCCCC1)C1CCCCC1 ZINC000002725411 569418482 /nfs/dbraw/zinc/41/84/82/569418482.db2.gz UDKISBJKGCWCGB-NRFANRHFSA-N 0 0 446.897 6.004 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12 ZINC000002726133 569418546 /nfs/dbraw/zinc/41/85/46/569418546.db2.gz PBQKHBMJKZABPJ-UHFFFAOYSA-N 0 0 429.958 5.089 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725457 569418574 /nfs/dbraw/zinc/41/85/74/569418574.db2.gz PDKQHOAJGAPNBF-UHFFFAOYSA-N 0 0 429.128 5.081 50 0 IKAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCc4ccccc4Cl)cc3)ccc12 ZINC000002725998 569418587 /nfs/dbraw/zinc/41/85/87/569418587.db2.gz QSRWTRKOCFYUSP-UHFFFAOYSA-N 0 0 433.891 5.264 50 0 IKAARN CCn1ncc(Br)c1C(=O)Nc1cccc(COc2cc(C)cc(C)c2)c1 ZINC000002727312 569418647 /nfs/dbraw/zinc/41/86/47/569418647.db2.gz PCDMCHWLRMMTQL-UHFFFAOYSA-N 0 0 428.330 5.114 50 0 IKAARN Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)nn1Cc1ccc(Cl)c(Cl)c1 ZINC000002729239 569418697 /nfs/dbraw/zinc/41/86/97/569418697.db2.gz YTTHQBORVPCKOL-UHFFFAOYSA-N 0 0 441.362 5.989 50 0 IKAARN Fc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000002733280 569419581 /nfs/dbraw/zinc/41/95/81/569419581.db2.gz CGOFTUIAERZXRC-UHFFFAOYSA-N 0 0 435.688 7.445 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(-c3ccc(C)c(C)c3)n2)c(OC)c1 ZINC000002733485 569419656 /nfs/dbraw/zinc/41/96/56/569419656.db2.gz JVZDWOSAKPBOJM-UHFFFAOYSA-N 0 0 444.531 5.858 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000002733587 569419690 /nfs/dbraw/zinc/41/96/90/569419690.db2.gz ASDLUILCBGYYMJ-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2cc(C)ccc2C)c1-c1cccc(OC)c1 ZINC000002733461 569419692 /nfs/dbraw/zinc/41/96/92/569419692.db2.gz SCZDRPOPUIKEFF-UHFFFAOYSA-N 0 0 426.560 6.462 50 0 IKAARN Cc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000002733430 569419717 /nfs/dbraw/zinc/41/97/17/569419717.db2.gz PNRHVHXYFSNKCJ-UHFFFAOYSA-N 0 0 427.762 7.783 50 0 IKAARN Cc1sc(-n2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000002733510 569419723 /nfs/dbraw/zinc/41/97/23/569419723.db2.gz UWAHOEAFXTXZLR-UHFFFAOYSA-N 0 0 443.522 7.225 50 0 IKAARN CCOc1ccc(OCc2ccc(C(=O)N[C@H](CC)c3ccc(C(C)C)cc3)cc2)cc1 ZINC000002739471 569419877 /nfs/dbraw/zinc/41/98/77/569419877.db2.gz ZUWGYHUQWQWSHB-HHHXNRCGSA-N 0 0 431.576 6.669 50 0 IKAARN Cc1nn(CCCn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)cc1Cl ZINC000002741182 569419953 /nfs/dbraw/zinc/41/99/53/569419953.db2.gz SFDTWZXTNUFNTQ-UHFFFAOYSA-N 0 0 442.947 5.077 50 0 IKAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000002742459 569420026 /nfs/dbraw/zinc/42/00/26/569420026.db2.gz IVUCQRWBIZMFOI-UHFFFAOYSA-N 0 0 447.539 5.058 50 0 IKAARN Cc1cc(NC(=O)c2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc(C)c1O ZINC000002750230 569420074 /nfs/dbraw/zinc/42/00/74/569420074.db2.gz MEWFFUCCXNBRME-UHFFFAOYSA-N 0 0 448.607 6.369 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1F ZINC000002746137 569420082 /nfs/dbraw/zinc/42/00/82/569420082.db2.gz HUFBPBVRKWINPC-UDWIEESQSA-N 0 0 437.854 5.411 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 ZINC000002751291 569420328 /nfs/dbraw/zinc/42/03/28/569420328.db2.gz RVIODIAOGRTXPC-UHFFFAOYSA-N 0 0 438.310 6.574 50 0 IKAARN CC(C)Oc1ccccc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 ZINC000002760245 569420488 /nfs/dbraw/zinc/42/04/88/569420488.db2.gz KGXWYEQMBSLNMB-VWLOTQADSA-N 0 0 436.555 6.496 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002757645 569420513 /nfs/dbraw/zinc/42/05/13/569420513.db2.gz RVYLQTOFYCUVNF-OALUTQOASA-N 0 0 425.594 5.843 50 0 IKAARN Cc1nn([C@H](C)C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)cc1Br ZINC000002785014 569421352 /nfs/dbraw/zinc/42/13/52/569421352.db2.gz NNZFIUUBRSMMDS-CYBMUJFWSA-N 0 0 433.375 5.202 50 0 IKAARN O=C1N/C(=C\c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000002785354 569421371 /nfs/dbraw/zinc/42/13/71/569421371.db2.gz FXYFOXSVKKSPPA-XKZIYDEJSA-N 0 0 436.870 5.151 50 0 IKAARN CCn1cc([C@H](C)NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c(C)n1 ZINC000002786346 569421443 /nfs/dbraw/zinc/42/14/43/569421443.db2.gz QHQOFBVKFIPNPU-HNNXBMFYSA-N 0 0 442.357 5.044 50 0 IKAARN COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)cc1 ZINC000002797062 569422124 /nfs/dbraw/zinc/42/21/24/569422124.db2.gz PEXBGWVHQVROGL-UHFFFAOYSA-N 0 0 432.505 5.065 50 0 IKAARN O=C(NC1CCCCCC1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002804235 569422526 /nfs/dbraw/zinc/42/25/26/569422526.db2.gz FYGZRCSZQUGPKC-UHFFFAOYSA-N 0 0 442.894 5.583 50 0 IKAARN FC(F)(F)c1cccc(-c2nnc(C34C[C@H]5C[C@@H](C3)CC(n3cnc(Cl)n3)(C5)C4)o2)c1 ZINC000002803574 569422557 /nfs/dbraw/zinc/42/25/57/569422557.db2.gz KXTSFVVLADRLES-BRRVFRNMSA-N 0 0 449.864 5.247 50 0 IKAARN Cc1cc(C(F)(F)F)n2nc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)c(Cl)c2n1 ZINC000002803875 569422561 /nfs/dbraw/zinc/42/25/61/569422561.db2.gz LTNILCKCFOJFJK-UHFFFAOYSA-N 0 0 445.735 5.028 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccc(-c2ccc(Br)cc2)n1 ZINC000002806787 569422715 /nfs/dbraw/zinc/42/27/15/569422715.db2.gz QRRCUTFTMBHFIR-UHFFFAOYSA-N 0 0 448.773 5.599 50 0 IKAARN CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc(Cl)cc1)N(C1CCCCC1)C2=O ZINC000002813635 569422988 /nfs/dbraw/zinc/42/29/88/569422988.db2.gz DCAXIOCLOFBJQH-FQEVSTJZSA-N 0 0 432.973 5.786 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(OCc4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000002886914 569424150 /nfs/dbraw/zinc/42/41/50/569424150.db2.gz QFHXXGMUWMHXRQ-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 IKAARN CCOc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 ZINC000002887618 569424187 /nfs/dbraw/zinc/42/41/87/569424187.db2.gz KQHAHMASNPNOPI-UHFFFAOYSA-N 0 0 436.364 5.490 50 0 IKAARN CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 ZINC000002887587 569424189 /nfs/dbraw/zinc/42/41/89/569424189.db2.gz FZENANRPGRZZOA-UHFFFAOYSA-N 0 0 434.392 6.215 50 0 IKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)cc1C ZINC000002889772 569424313 /nfs/dbraw/zinc/42/43/13/569424313.db2.gz RFJZZIXYYUWHKD-UHFFFAOYSA-N 0 0 429.925 5.489 50 0 IKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1c(C)ccc(C)c1C ZINC000002889794 569424317 /nfs/dbraw/zinc/42/43/17/569424317.db2.gz ZPIDLBVTDBCUSR-UHFFFAOYSA-N 0 0 443.952 5.798 50 0 IKAARN CC(C)(C)c1cc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc(C(C)(C)C)c1O ZINC000002908565 569424544 /nfs/dbraw/zinc/42/45/44/569424544.db2.gz BREYKRWYEWGHDI-DJKKODMXSA-N 0 0 447.909 6.263 50 0 IKAARN Cc1ccccc1CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1Cl ZINC000002909354 569424752 /nfs/dbraw/zinc/42/47/52/569424752.db2.gz FLNSDSNOKFXGGX-UHFFFAOYSA-N 0 0 433.385 6.355 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000002911090 569424848 /nfs/dbraw/zinc/42/48/48/569424848.db2.gz PYUMBHOVCCDBAZ-UHFFFAOYSA-N 0 0 444.343 5.374 50 0 IKAARN CCOc1cc([C@@H]2C[C@H](c3cccc(C)c3)Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000002918552 569425286 /nfs/dbraw/zinc/42/52/86/569425286.db2.gz SQIIRUMTZLYHBF-IRLDBZIGSA-N 0 0 449.501 6.491 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)NCc2ccco2)ccc1Cl ZINC000002924003 569425491 /nfs/dbraw/zinc/42/54/91/569425491.db2.gz VPYSYMGYWYOUDQ-UHFFFAOYSA-N 0 0 438.698 5.814 50 0 IKAARN Cc1cc(-n2c(=O)c3sccc3nc2SCc2cccc(Cl)c2)ccc1Cl ZINC000002925045 569425517 /nfs/dbraw/zinc/42/55/17/569425517.db2.gz JSALUYHROHCWLO-UHFFFAOYSA-N 0 0 433.385 6.355 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=O)CCn4c5ccccc5oc4=S)cc3O)nc2c1 ZINC000002923408 569425523 /nfs/dbraw/zinc/42/55/23/569425523.db2.gz USRMUCMLVVELEE-UHFFFAOYSA-N 0 0 445.500 5.815 50 0 biogenic IKAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002925315 569425613 /nfs/dbraw/zinc/42/56/13/569425613.db2.gz APXJYXYXHKABFU-UHFFFAOYSA-N 0 0 441.405 5.786 50 0 IKAARN COc1ccc(-n2c(=O)c3sccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000002925255 569425619 /nfs/dbraw/zinc/42/56/19/569425619.db2.gz PLYJLNWCPKRKIO-UHFFFAOYSA-N 0 0 432.929 5.541 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000002928423 569425906 /nfs/dbraw/zinc/42/59/06/569425906.db2.gz CCOBMTOGWXEOQB-UHFFFAOYSA-N 0 0 430.426 5.298 50 0 IKAARN COc1ccc2nc(NC(=O)Cn3c(C)c(C(C)=O)cc3-c3ccc(F)cc3)sc2c1 ZINC000002929763 569426105 /nfs/dbraw/zinc/42/61/05/569426105.db2.gz IYDRCQNDFXDOJF-UHFFFAOYSA-N 0 0 437.496 5.062 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NCc2ccc(Cl)cc2)c1C ZINC000002929682 569426140 /nfs/dbraw/zinc/42/61/40/569426140.db2.gz RDZZAOZAAHZQAL-UHFFFAOYSA-N 0 0 442.918 5.139 50 0 IKAARN Clc1ccc(CNc2nc(SCc3ccccc3Cl)nc3ccccc32)cc1 ZINC000002933041 569426222 /nfs/dbraw/zinc/42/62/22/569426222.db2.gz AGQFAJWFOZBSEL-UHFFFAOYSA-N 0 0 426.372 6.841 50 0 IKAARN O=C(CSc1nc2ccccc2c(NCc2ccc(Cl)cc2)n1)Nc1nccs1 ZINC000002933066 569426241 /nfs/dbraw/zinc/42/62/41/569426241.db2.gz BKFCDSPABHTQFJ-UHFFFAOYSA-N 0 0 441.969 5.083 50 0 IKAARN Clc1ccc(CNc2nc(SCc3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000002933044 569426265 /nfs/dbraw/zinc/42/62/65/569426265.db2.gz UAWUHHHPDRFEQF-UHFFFAOYSA-N 0 0 426.372 6.841 50 0 IKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000002939935 569426543 /nfs/dbraw/zinc/42/65/43/569426543.db2.gz WIVWXRBWMLPYRU-UHFFFAOYSA-N 0 0 448.316 6.092 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000002939922 569426555 /nfs/dbraw/zinc/42/65/55/569426555.db2.gz YLLFQFMAYPOAAC-UHFFFAOYSA-N 0 0 427.456 5.197 50 0 IKAARN CCc1ccc(Sc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000002941362 569426652 /nfs/dbraw/zinc/42/66/52/569426652.db2.gz ULYVKBDZQHRIMK-UHFFFAOYSA-N 0 0 447.003 6.574 50 0 IKAARN COc1ccc(C2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1Br ZINC000002945780 569426895 /nfs/dbraw/zinc/42/68/95/569426895.db2.gz ZGQACPUIEJTGIB-VGOFMYFVSA-N 0 0 427.081 5.109 50 0 IKAARN O=C1CS[C@H](c2ccccc2Br)N1c1ccc(Oc2ccccc2)cc1 ZINC000002947552 569427000 /nfs/dbraw/zinc/42/70/00/569427000.db2.gz MVTWLURWDQKCJB-OAQYLSRUSA-N 0 0 426.335 6.020 50 0 IKAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002947442 569427039 /nfs/dbraw/zinc/42/70/39/569427039.db2.gz QUNNEIXMBDOFRV-NRFANRHFSA-N 0 0 426.335 6.020 50 0 IKAARN Cc1cc(N2C(=O)CS[C@H]2c2cccc(Oc3ccccc3)c2)ccc1Br ZINC000002947504 569427056 /nfs/dbraw/zinc/42/70/56/569427056.db2.gz WDXNJCXVEBWBSJ-QFIPXVFZSA-N 0 0 440.362 6.328 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948516 569427091 /nfs/dbraw/zinc/42/70/91/569427091.db2.gz SYWOSDULAUBPNU-AWEZNQCLSA-N 0 0 432.467 5.314 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000002948445 569427110 /nfs/dbraw/zinc/42/71/10/569427110.db2.gz IRKTUAFEVRXMSR-UHFFFAOYSA-N 0 0 442.584 6.066 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(NC3CCCCC3)n2)cc1 ZINC000002948716 569427151 /nfs/dbraw/zinc/42/71/51/569427151.db2.gz IIBFMKXWWYUUKS-UHFFFAOYSA-N 0 0 436.581 5.504 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000002948416 569427173 /nfs/dbraw/zinc/42/71/73/569427173.db2.gz GJXWDMMUYRBJLQ-DEOSSOPVSA-N 0 0 437.992 7.208 50 0 IKAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949487 569427204 /nfs/dbraw/zinc/42/72/04/569427204.db2.gz GOPGTOJNEUECJK-OAQYLSRUSA-N 0 0 449.881 6.930 50 0 IKAARN O=C1CS[C@H](c2cc3c(cc2Br)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000002949661 569427240 /nfs/dbraw/zinc/42/72/40/569427240.db2.gz SVIRPHMGKYBJOO-MRXNPFEDSA-N 0 0 447.137 5.263 50 0 IKAARN O=C1CS[C@H](c2ccccc2C(F)(F)F)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949725 569427249 /nfs/dbraw/zinc/42/72/49/569427249.db2.gz HLOFYDGEXKTFOO-OAQYLSRUSA-N 0 0 449.881 6.930 50 0 IKAARN O=C1CS[C@@H](c2ccc(OC(F)F)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949685 569427299 /nfs/dbraw/zinc/42/72/99/569427299.db2.gz BOAVHHPXFKNFIO-NRFANRHFSA-N 0 0 447.890 6.512 50 0 IKAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(OCc2nc(C3CC3)cs2)cc1 ZINC000056907752 569427554 /nfs/dbraw/zinc/42/75/54/569427554.db2.gz RXSULKHWHCGMGP-UHFFFAOYSA-N 0 0 434.546 5.370 50 0 IKAARN O=C(Cc1cccs1)N(C[C@@H]1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000056907168 569427568 /nfs/dbraw/zinc/42/75/68/569427568.db2.gz HJMHUDALFAUIQJ-ZDUSSCGKSA-N 0 0 442.484 5.011 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000056945928 569428171 /nfs/dbraw/zinc/42/81/71/569428171.db2.gz IBHNRMGFNJCYDI-XMMPIXPASA-N 0 0 449.570 5.010 50 0 IKAARN CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000029333089 569429790 /nfs/dbraw/zinc/42/97/90/569429790.db2.gz UCTITVNQWSOQMP-UHFFFAOYSA-N 0 0 429.307 5.116 50 0 IKAARN CC(=O)N(c1nc(CN(C)C(c2ccccc2)c2ccccc2)cs1)c1ccccc1F ZINC000057296876 569430593 /nfs/dbraw/zinc/43/05/93/569430593.db2.gz HMFSWXWWULVAGU-UHFFFAOYSA-N 0 0 445.563 6.188 50 0 IKAARN Cc1nc(-c2ccc(CN[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cs1 ZINC000057312434 569430779 /nfs/dbraw/zinc/43/07/79/569430779.db2.gz IETJKYJAJNQXBS-DEOSSOPVSA-N 0 0 447.629 6.266 50 0 IKAARN C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1Cl ZINC000057315267 569430994 /nfs/dbraw/zinc/43/09/94/569430994.db2.gz MOQHVSUZGPMNEC-HNNXBMFYSA-N 0 0 425.891 5.021 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000057323121 569431153 /nfs/dbraw/zinc/43/11/53/569431153.db2.gz LSEXZDZHXHMVDI-HHHXNRCGSA-N 0 0 438.575 5.576 50 0 IKAARN O=C(CN[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)Nc1ccccc1OC(F)F ZINC000057323005 569431177 /nfs/dbraw/zinc/43/11/77/569431177.db2.gz QYLXPAJZUZTEPQ-HSZRJFAPSA-N 0 0 442.531 5.546 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000057352283 569431287 /nfs/dbraw/zinc/43/12/87/569431287.db2.gz ZOKGNVRATLCYQN-HHHXNRCGSA-N 0 0 438.575 5.360 50 0 IKAARN CCc1ccc(Cn2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)c3cc(CC)ccc32)cc1 ZINC000057354758 569431390 /nfs/dbraw/zinc/43/13/90/569431390.db2.gz CCMYDXSIMGFJMP-UHFFFAOYSA-N 0 0 449.554 6.200 50 0 IKAARN CCCCOc1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)n[nH]2)cc1 ZINC000057354830 569431475 /nfs/dbraw/zinc/43/14/75/569431475.db2.gz OKLRVUMMQUXNJJ-UHFFFAOYSA-N 0 0 428.414 5.991 50 0 IKAARN CN(Cc1nc2ccccc2s1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000029604573 569431609 /nfs/dbraw/zinc/43/16/09/569431609.db2.gz NJEJFKINHXEKMF-UHFFFAOYSA-N 0 0 447.507 5.640 50 0 IKAARN O=C(NCCc1ccccc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002950949 569431980 /nfs/dbraw/zinc/43/19/80/569431980.db2.gz PFPBHNXATGUHHI-UHFFFAOYSA-N 0 0 441.581 6.059 50 0 IKAARN O=C(Nc1c(Cl)cccc1NC(=O)c1ccccc1Br)c1ccccc1 ZINC000002950407 569432017 /nfs/dbraw/zinc/43/20/17/569432017.db2.gz SYQBNWNZFLHUAJ-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002951012 569432025 /nfs/dbraw/zinc/43/20/25/569432025.db2.gz BEIVGEMXZXIZFL-DOTOQJQBSA-N 0 0 433.602 6.395 50 0 IKAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000057364153 569432167 /nfs/dbraw/zinc/43/21/67/569432167.db2.gz RXUXDSIGOUTHTF-UHFFFAOYSA-N 0 0 435.527 5.257 50 0 IKAARN COc1ccc2oc(=O)c(-c3csc(Nc4ccc(C)cc4Br)n3)cc2c1 ZINC000002956176 569432327 /nfs/dbraw/zinc/43/23/27/569432327.db2.gz QGYATHYRSDPOFA-UHFFFAOYSA-N 0 0 443.322 5.740 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4ccccc4Cl)s3)c(=O)oc2c1 ZINC000002956101 569432355 /nfs/dbraw/zinc/43/23/55/569432355.db2.gz XGDQOSSHZCEUDL-UHFFFAOYSA-N 0 0 426.929 5.555 50 0 IKAARN O=c1oc2c(Br)cc(Br)cc2cc1-c1nc2ccccc2s1 ZINC000002959992 569432487 /nfs/dbraw/zinc/43/24/87/569432487.db2.gz UUWYRKNXQYRCFD-UHFFFAOYSA-N 0 0 437.112 5.595 50 0 IKAARN FC(F)(F)c1cccc(C2=Nn3c(nnc3-c3ccc(Cl)c(Cl)c3)SC2)c1 ZINC000002958687 569432496 /nfs/dbraw/zinc/43/24/96/569432496.db2.gz ASNULERVRBGYOG-UHFFFAOYSA-N 0 0 429.254 5.629 50 0 IKAARN Cc1ccc(CCNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)cc1 ZINC000002965121 569432920 /nfs/dbraw/zinc/43/29/20/569432920.db2.gz SGALROQXMBYKDH-UHFFFAOYSA-N 0 0 434.511 5.945 50 0 IKAARN COc1cccc2cc(-c3nc(-c4ccc(C)cc4)cs3)/c(=N/c3ccccc3F)oc21 ZINC000002963985 569432933 /nfs/dbraw/zinc/43/29/33/569432933.db2.gz NAXHPPRXABNCEW-FVDSYPCUSA-N 0 0 442.515 6.912 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077415 569433378 /nfs/dbraw/zinc/43/33/78/569433378.db2.gz DVIQAZNVAIOWAT-WEKBHZFBSA-N 0 0 436.621 5.666 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccccc1C(F)(F)F ZINC000002971347 569433384 /nfs/dbraw/zinc/43/33/84/569433384.db2.gz OSEJZBFOICNLHK-UHFFFAOYSA-N 0 0 447.482 5.261 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002971928 569433478 /nfs/dbraw/zinc/43/34/78/569433478.db2.gz WNPRQVMJLZSJOS-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN Cc1cc(C)nc(Nn2c(=O)c3ccccc3nc2SCc2ccc(C(C)(C)C)cc2)n1 ZINC000002971852 569433490 /nfs/dbraw/zinc/43/34/90/569433490.db2.gz GZDMNEOAWINYGD-UHFFFAOYSA-N 0 0 445.592 5.268 50 0 IKAARN C[C@@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974925 569433530 /nfs/dbraw/zinc/43/35/30/569433530.db2.gz GGYIHUAHJDCRLH-NQIIRXRSSA-N 0 0 445.010 7.368 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)/C=C/c1ccco1)CC2 ZINC000002980194 569433675 /nfs/dbraw/zinc/43/36/75/569433675.db2.gz RFAJCNHDTHJMLT-PRSVDJLGSA-N 0 0 447.531 5.132 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1 ZINC000057425408 569434378 /nfs/dbraw/zinc/43/43/78/569434378.db2.gz KMIFEZICQDKXIJ-UHFFFAOYSA-N 0 0 449.601 5.361 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000057425533 569434392 /nfs/dbraw/zinc/43/43/92/569434392.db2.gz YXKMSUYCUHLJOY-UHFFFAOYSA-N 0 0 449.601 5.361 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c(Cl)c1 ZINC000057426021 569434444 /nfs/dbraw/zinc/43/44/44/569434444.db2.gz UQTBTDZMJMKQPD-UHFFFAOYSA-N 0 0 436.002 5.197 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000057426042 569434490 /nfs/dbraw/zinc/43/44/90/569434490.db2.gz GCHWZILGPDVXDM-UHFFFAOYSA-N 0 0 436.002 5.197 50 0 IKAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000057426436 569434606 /nfs/dbraw/zinc/43/46/06/569434606.db2.gz IJTLGAWZDCCQEZ-UHFFFAOYSA-N 0 0 442.393 5.296 50 0 IKAARN Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 ZINC000057428563 569434909 /nfs/dbraw/zinc/43/49/09/569434909.db2.gz SRHLOXBIRJFFJW-UHFFFAOYSA-N 0 0 449.601 5.128 50 0 IKAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc(Br)cc1 ZINC000002994089 569435037 /nfs/dbraw/zinc/43/50/37/569435037.db2.gz HUSCISRXDWLIKD-UHFFFAOYSA-N 0 0 447.712 5.349 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000003006695 569435198 /nfs/dbraw/zinc/43/51/98/569435198.db2.gz WGHWSUYLGUMOJP-DEOSSOPVSA-N 0 0 431.532 5.139 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)CC(C)C)CC2 ZINC000003006733 569435203 /nfs/dbraw/zinc/43/52/03/569435203.db2.gz DURYVLLQMIKOTG-HSZRJFAPSA-N 0 0 425.569 5.378 50 0 IKAARN COc1ccccc1CNC(=O)c1cc(Sc2cccc(SC)c2)nc2ccccc21 ZINC000003007827 569435210 /nfs/dbraw/zinc/43/52/10/569435210.db2.gz GLIULHYIZJUSQF-UHFFFAOYSA-N 0 0 446.597 6.047 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C2CCCCC2)cc1 ZINC000003006751 569435212 /nfs/dbraw/zinc/43/52/12/569435212.db2.gz YKHAQCQHYNPKIS-DEOSSOPVSA-N 0 0 437.580 5.351 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2F)cc1 ZINC000003006825 569435221 /nfs/dbraw/zinc/43/52/21/569435221.db2.gz TWTVJYPAQUINSQ-DEOSSOPVSA-N 0 0 449.522 5.224 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)Cc1ccccc1)CC2 ZINC000003006761 569435230 /nfs/dbraw/zinc/43/52/30/569435230.db2.gz UCCSIPXIVDVBKJ-VWLOTQADSA-N 0 0 445.559 5.068 50 0 IKAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000003006866 569435240 /nfs/dbraw/zinc/43/52/40/569435240.db2.gz MDXFOFHAWALHTJ-XMMPIXPASA-N 0 0 449.522 5.224 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011833 569435376 /nfs/dbraw/zinc/43/53/76/569435376.db2.gz BIDMTVRSDNOGAV-AZUAARDMSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccccc4Cl)cc3N2)cc1 ZINC000003011823 569435382 /nfs/dbraw/zinc/43/53/82/569435382.db2.gz JELMBIQQZIBGKV-AEFFLSMTSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1C ZINC000003011915 569435388 /nfs/dbraw/zinc/43/53/88/569435388.db2.gz YSZOTBMPFOGPKN-IEBWSBKVSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 ZINC000003011756 569435389 /nfs/dbraw/zinc/43/53/89/569435389.db2.gz HCHINYXERQDTBL-UYAOXDASSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011831 569435391 /nfs/dbraw/zinc/43/53/91/569435391.db2.gz BIDMTVRSDNOGAV-UYAOXDASSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 ZINC000003011821 569435395 /nfs/dbraw/zinc/43/53/95/569435395.db2.gz FMYWLEARAXACJF-AZUAARDMSA-N 0 0 428.458 5.721 50 0 IKAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4)cc3N2)cc1 ZINC000003010964 569435396 /nfs/dbraw/zinc/43/53/96/569435396.db2.gz IEKYNBGNLXBNLK-HKUYNNGSSA-N 0 0 430.430 5.113 50 0 IKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1C ZINC000003011918 569435419 /nfs/dbraw/zinc/43/54/19/569435419.db2.gz YSZOTBMPFOGPKN-MJGOQNOKSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011829 569435421 /nfs/dbraw/zinc/43/54/21/569435421.db2.gz BIDMTVRSDNOGAV-QUCCMNQESA-N 0 0 428.458 5.721 50 0 IKAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)c1 ZINC000003011983 569435451 /nfs/dbraw/zinc/43/54/51/569435451.db2.gz JKJMSCZRCBDIEX-AEFFLSMTSA-N 0 0 434.849 5.758 50 0 IKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000003016855 569435515 /nfs/dbraw/zinc/43/55/15/569435515.db2.gz MBXOZMBWABXYTI-LFVJCYFKSA-N 0 0 439.898 6.417 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4csc(-c5ccc(Cl)cc5)n4)c(=O)c23)cc1 ZINC000003017694 569435528 /nfs/dbraw/zinc/43/55/28/569435528.db2.gz MRTGLKPWFIOMOM-UHFFFAOYSA-N 0 0 449.988 6.259 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)cc1 ZINC000003018016 569435544 /nfs/dbraw/zinc/43/55/44/569435544.db2.gz CPMVTURVKYSGGQ-UHFFFAOYSA-N 0 0 447.535 5.489 50 0 IKAARN Cc1nc2sc3c(c2c(=O)n1CC(=O)Nc1ccc(Oc2ccccc2)cc1)CCCC3 ZINC000003018129 569435547 /nfs/dbraw/zinc/43/55/47/569435547.db2.gz GOURYCYDZPCWKU-UHFFFAOYSA-N 0 0 445.544 5.076 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccc(Cl)c2)c1 ZINC000057472652 569435638 /nfs/dbraw/zinc/43/56/38/569435638.db2.gz IQKGFHFOTZIQNK-UHFFFAOYSA-N 0 0 449.963 5.137 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccc(Cl)c1 ZINC000057472649 569435663 /nfs/dbraw/zinc/43/56/63/569435663.db2.gz JQXJXNRVLKQAIU-UHFFFAOYSA-N 0 0 449.963 5.137 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c1 ZINC000057473474 569435758 /nfs/dbraw/zinc/43/57/58/569435758.db2.gz BZTYGHMLELPTAQ-UHFFFAOYSA-N 0 0 449.601 5.048 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c1C ZINC000057473497 569435761 /nfs/dbraw/zinc/43/57/61/569435761.db2.gz CLFRTXKYHYSFIO-UHFFFAOYSA-N 0 0 449.601 5.048 50 0 IKAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000057477211 569435788 /nfs/dbraw/zinc/43/57/88/569435788.db2.gz PYJIFACNVGVIBI-UHFFFAOYSA-N 0 0 425.113 5.076 50 0 IKAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2C)c1 ZINC000003023113 569436058 /nfs/dbraw/zinc/43/60/58/569436058.db2.gz VQSDRGFNEDZISJ-UHFFFAOYSA-N 0 0 440.540 5.218 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000003023404 569436115 /nfs/dbraw/zinc/43/61/15/569436115.db2.gz BPPDBRYTFAFIBO-UHFFFAOYSA-N 0 0 446.931 5.255 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000003024193 569436157 /nfs/dbraw/zinc/43/61/57/569436157.db2.gz YVGNDZMUPMNXOJ-UHFFFAOYSA-N 0 0 447.359 5.196 50 0 IKAARN Cc1nn2c(nc(CN(Cc3c(F)cccc3Cl)[C@@H]3CCC[C@H](C)[C@H]3C)cc2=O)s1 ZINC000230094567 569436224 /nfs/dbraw/zinc/43/62/24/569436224.db2.gz NBVDQWMITURYPV-LRDNONRASA-N 0 0 448.995 5.079 50 0 IKAARN COc1ccccc1-n1c(=O)c2sc(=S)n(-c3ccc(Cl)c(C)c3)c2[nH]c1=S ZINC000003027012 569436256 /nfs/dbraw/zinc/43/62/56/569436256.db2.gz MLYIUPLECCYLSX-UHFFFAOYSA-N 0 0 447.994 5.600 50 0 IKAARN Cc1cc(-n2c3[nH]c(=S)n(-c4ccc(F)cc4)c(=O)c3sc2=S)ccc1Cl ZINC000003027063 569436312 /nfs/dbraw/zinc/43/63/12/569436312.db2.gz FQPIVQFVFWJZLN-UHFFFAOYSA-N 0 0 435.958 5.731 50 0 IKAARN CSc1nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c(=O)n1-c1ccccc1F ZINC000003027098 569436317 /nfs/dbraw/zinc/43/63/17/569436317.db2.gz MSBHDJVVJZFUTD-UHFFFAOYSA-N 0 0 429.567 5.445 50 0 IKAARN COc1ccccc1-n1c(SC)nc2c(sc(=S)n2-c2ccc(C)cc2C)c1=O ZINC000003027103 569436357 /nfs/dbraw/zinc/43/63/57/569436357.db2.gz XXHFQKYINCDARS-UHFFFAOYSA-N 0 0 441.603 5.315 50 0 IKAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000057486289 569436433 /nfs/dbraw/zinc/43/64/33/569436433.db2.gz ATXQFILEHPPTSQ-UHFFFAOYSA-N 0 0 427.957 5.031 50 0 IKAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccccc2Cl)c1 ZINC000057486300 569436439 /nfs/dbraw/zinc/43/64/39/569436439.db2.gz RTMPJHZOFBTMOJ-UHFFFAOYSA-N 0 0 427.957 5.031 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2cc(F)cc(F)c2)c2ccccc21 ZINC000003029302 569436528 /nfs/dbraw/zinc/43/65/28/569436528.db2.gz LUCKJBPUMAJAMT-UHFFFAOYSA-N 0 0 435.543 6.339 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2cccc(Cl)c2)c2ccccc21 ZINC000003029317 569436708 /nfs/dbraw/zinc/43/67/08/569436708.db2.gz AQQMEDNDLUUOER-UHFFFAOYSA-N 0 0 434.008 6.714 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)c1 ZINC000057487432 569436723 /nfs/dbraw/zinc/43/67/23/569436723.db2.gz WEXSCRUZFACFFB-UHFFFAOYSA-N 0 0 435.574 5.049 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3cccc(C(C)C)c3)nc3ccsc3c2=O)c1 ZINC000057487468 569436725 /nfs/dbraw/zinc/43/67/25/569436725.db2.gz LQGUHRDLNQCUAK-UHFFFAOYSA-N 0 0 449.601 5.610 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)c1 ZINC000057487479 569436728 /nfs/dbraw/zinc/43/67/28/569436728.db2.gz CJIYPJKZGKYEOS-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)cc1 ZINC000057487383 569436762 /nfs/dbraw/zinc/43/67/62/569436762.db2.gz PHHABRXELGCPPH-UHFFFAOYSA-N 0 0 435.574 5.049 50 0 IKAARN CCOc1ccc2c(c1)[C@@H](SCC(=O)NCc1ccc(OC)cc1)CC1(CCCC1)O2 ZINC000003029938 569436781 /nfs/dbraw/zinc/43/67/81/569436781.db2.gz LGBGPHHLEIUCBI-QHCPKHFHSA-N 0 0 441.593 5.280 50 0 biogenic IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c(C)c1 ZINC000057488563 569436967 /nfs/dbraw/zinc/43/69/67/569436967.db2.gz WXLBYNFXCVZJHK-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)c(C)c1 ZINC000057488694 569436996 /nfs/dbraw/zinc/43/69/96/569436996.db2.gz ZUXHIDRHRSKXMU-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN COC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000003030558 569437561 /nfs/dbraw/zinc/43/75/61/569437561.db2.gz LKOZDHNQKVPEEB-UHFFFAOYSA-N 0 0 427.884 5.577 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033230 569437806 /nfs/dbraw/zinc/43/78/06/569437806.db2.gz PMSLAEDQSJLDIV-UHFFFAOYSA-N 0 0 449.941 6.547 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000003033265 569437839 /nfs/dbraw/zinc/43/78/39/569437839.db2.gz GDDBIAMMAITFEM-UHFFFAOYSA-N 0 0 426.545 5.499 50 0 IKAARN CSc1nc2c(sc(=S)n2-c2cc(C)ccc2F)c(=O)n1-c1ccc(C)cc1 ZINC000003034534 569437888 /nfs/dbraw/zinc/43/78/88/569437888.db2.gz LGUFPXKUSWUQJE-UHFFFAOYSA-N 0 0 429.567 5.445 50 0 IKAARN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc(Cl)cc4)cnn3c2C)c(C)c1 ZINC000003035553 569437919 /nfs/dbraw/zinc/43/79/19/569437919.db2.gz PEIKAPVOKKPXJZ-UHFFFAOYSA-N 0 0 446.982 5.446 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(F)cc2Cl)N1CCc1ccccc1 ZINC000003039450 569438032 /nfs/dbraw/zinc/43/80/32/569438032.db2.gz FFTFNOGNNQJGMK-XMMPIXPASA-N 0 0 442.962 5.157 50 0 IKAARN COc1ccc([C@@H](CCc2ccc(C)o2)NC(=S)Nc2cccc(SC)c2)cc1 ZINC000003040277 569438083 /nfs/dbraw/zinc/43/80/83/569438083.db2.gz WTUADRDREYFXQC-JOCHJYFZSA-N 0 0 426.607 5.979 50 0 IKAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2cccs2)cc1 ZINC000003040104 569438114 /nfs/dbraw/zinc/43/81/14/569438114.db2.gz QBDVFAOTVOAPGM-XMMPIXPASA-N 0 0 440.609 5.172 50 0 IKAARN COc1ccc([C@H](CCc2ccc(C)o2)NC(=S)Nc2cccc(SC)c2)cc1 ZINC000003040275 569438115 /nfs/dbraw/zinc/43/81/15/569438115.db2.gz WTUADRDREYFXQC-QFIPXVFZSA-N 0 0 426.607 5.979 50 0 IKAARN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NC4CCCCCCC4)cnn3c2C)c(C)c1 ZINC000003041067 569438443 /nfs/dbraw/zinc/43/84/43/569438443.db2.gz HWXCYKDMOZZQOO-UHFFFAOYSA-N 0 0 432.612 5.705 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000003041706 569438457 /nfs/dbraw/zinc/43/84/57/569438457.db2.gz QCVPGHQTGGTDPL-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN COc1cccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c1 ZINC000057510833 569438601 /nfs/dbraw/zinc/43/86/01/569438601.db2.gz DEECGUOJZLFRQM-UHFFFAOYSA-N 0 0 426.339 5.460 50 0 IKAARN Cc1nc2c(C(=O)N[C@H]3CCCc4ccccc43)cnn2c(C)c1Cc1ccccc1Cl ZINC000003045074 569438625 /nfs/dbraw/zinc/43/86/25/569438625.db2.gz AWAZHDIYPHCKPH-DEOSSOPVSA-N 0 0 444.966 5.398 50 0 IKAARN O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCCc1ccc(Cl)cc1 ZINC000003046713 569438689 /nfs/dbraw/zinc/43/86/89/569438689.db2.gz DGNCFGQITPHVQC-KQWNVCNZSA-N 0 0 448.975 5.179 50 0 IKAARN O=C(CNc1ccccc1N1CCCC1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000057517371 569438693 /nfs/dbraw/zinc/43/86/93/569438693.db2.gz YQBCRAXBHDLDGN-QHCPKHFHSA-N 0 0 443.572 5.106 50 0 IKAARN Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccc(F)cc2)c1 ZINC000057519923 569438712 /nfs/dbraw/zinc/43/87/12/569438712.db2.gz OMBKGSWVJCCEER-UHFFFAOYSA-N 0 0 441.531 6.121 50 0 IKAARN COC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)Nc2c(F)cccc2F)c1 ZINC000003048188 569438786 /nfs/dbraw/zinc/43/87/86/569438786.db2.gz GVTKBWFHRZFGGC-UHFFFAOYSA-N 0 0 448.878 6.200 50 0 IKAARN Cn1nc(-c2ccccc2)c(COC(=O)c2ccccc2Cl)c1Oc1ccc(F)cc1 ZINC000003048582 569438873 /nfs/dbraw/zinc/43/88/73/569438873.db2.gz FQDKIPMLKLGYKI-UHFFFAOYSA-N 0 0 436.870 6.029 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc(Sc3ccc(Cl)cc3)c(NC(C)=O)c2)cc1 ZINC000003048900 569438895 /nfs/dbraw/zinc/43/88/95/569438895.db2.gz OXDJVNPEXUDMHQ-UHFFFAOYSA-N 0 0 438.980 5.942 50 0 IKAARN CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003050032 569438919 /nfs/dbraw/zinc/43/89/19/569438919.db2.gz ZJSXTFYVDTVCFR-UHFFFAOYSA-N 0 0 448.563 5.913 50 0 IKAARN CC(=O)Nc1cc(C(=O)NCCc2ccc(C)cc2)ccc1Sc1ccc(Cl)cc1 ZINC000003049121 569438922 /nfs/dbraw/zinc/43/89/22/569438922.db2.gz CHHLTRLIVCCVNJ-UHFFFAOYSA-N 0 0 438.980 5.731 50 0 IKAARN CC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1Sc1ccc(C)cc1 ZINC000003049253 569438943 /nfs/dbraw/zinc/43/89/43/569438943.db2.gz WVJWFRKFIFDKOR-UHFFFAOYSA-N 0 0 438.980 5.731 50 0 IKAARN O=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000003049240 569438956 /nfs/dbraw/zinc/43/89/56/569438956.db2.gz STDSGTGMYFSQAX-UHFFFAOYSA-N 0 0 439.787 5.957 50 0 IKAARN Cc1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000003050295 569438972 /nfs/dbraw/zinc/43/89/72/569438972.db2.gz HSTCQIQGMXFZAW-UHFFFAOYSA-N 0 0 434.632 6.618 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2CCC(C)C)c1 ZINC000057523173 569439029 /nfs/dbraw/zinc/43/90/29/569439029.db2.gz LNXVBDBLMZWRPE-UHFFFAOYSA-N 0 0 449.576 5.536 50 0 IKAARN CCCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c3ccccc3oc2c1=O ZINC000057523151 569439047 /nfs/dbraw/zinc/43/90/47/569439047.db2.gz FVABZIMZEUTVIH-UHFFFAOYSA-N 0 0 435.549 5.290 50 0 IKAARN Cc1cc(Cl)ccc1-n1c(CSCc2ccccc2Cl)nc2ccccc2c1=O ZINC000003050378 569439146 /nfs/dbraw/zinc/43/91/46/569439146.db2.gz DSAJTZXEHYFUMY-UHFFFAOYSA-N 0 0 441.383 6.434 50 0 IKAARN Cc1cc(C)cc(-n2c(CSc3ccccc3Cl)nc3cc(Cl)ccc3c2=O)c1 ZINC000003050399 569439155 /nfs/dbraw/zinc/43/91/55/569439155.db2.gz QZFCLSOCQXPKHQ-UHFFFAOYSA-N 0 0 441.383 6.602 50 0 IKAARN O=c1c2ccccc2nc(CSc2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000003050367 569439186 /nfs/dbraw/zinc/43/91/86/569439186.db2.gz IWLOTYKCATVAEN-UHFFFAOYSA-N 0 0 446.881 6.350 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056297 569439338 /nfs/dbraw/zinc/43/93/38/569439338.db2.gz PNLCGRPBMCWWHA-INIZCTEOSA-N 0 0 434.536 5.666 50 0 IKAARN O=C(N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000003053563 569439364 /nfs/dbraw/zinc/43/93/64/569439364.db2.gz NIPQTOFTDBGOJN-CQSZACIVSA-N 0 0 447.960 6.152 50 0 IKAARN Cc1ccc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1C ZINC000003056234 569439370 /nfs/dbraw/zinc/43/93/70/569439370.db2.gz FJNYTLDHFGXJFF-UHFFFAOYSA-N 0 0 429.951 6.221 50 0 IKAARN O=S(=O)(Nc1cc2c3c(oc2c(Br)c1)CCCC3)c1ccc(Cl)cc1 ZINC000003056953 569439396 /nfs/dbraw/zinc/43/93/96/569439396.db2.gz SWSSVDGCKUFSSK-UHFFFAOYSA-N 0 0 440.746 5.528 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000003059208 569439405 /nfs/dbraw/zinc/43/94/05/569439405.db2.gz QOTDTFRAVBPCRR-UHFFFAOYSA-N 0 0 436.558 5.010 50 0 IKAARN CCN(CCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2)c1ccccc1 ZINC000003060491 569439530 /nfs/dbraw/zinc/43/95/30/569439530.db2.gz UTZKTLJXUVDXSB-UHFFFAOYSA-N 0 0 445.588 5.074 50 0 IKAARN CC[C@@H](C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(Cc2cccc(C)c2)C1=O ZINC000003061852 569439556 /nfs/dbraw/zinc/43/95/56/569439556.db2.gz QNAAQYPNHRMQJJ-CLOONOSVSA-N 0 0 430.979 6.447 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000057541858 569439564 /nfs/dbraw/zinc/43/95/64/569439564.db2.gz GZQOVTRWNODYQI-QKKBWIMNSA-N 0 0 432.948 5.564 50 0 IKAARN Clc1ccc(Cc2nc3ccccc3c(NCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000003063771 569439634 /nfs/dbraw/zinc/43/96/34/569439634.db2.gz PFDYQFHEOYPBCS-UHFFFAOYSA-N 0 0 428.750 6.793 50 0 IKAARN CCCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063974 569439665 /nfs/dbraw/zinc/43/96/65/569439665.db2.gz HWIUCPZCYQATMQ-QNGOZBTKSA-N 0 0 426.607 5.425 50 0 IKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000003065087 569439686 /nfs/dbraw/zinc/43/96/86/569439686.db2.gz XEJUWOWOZCKXHQ-BVZFJXPGSA-N 0 0 432.495 5.124 50 0 IKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000003065081 569439694 /nfs/dbraw/zinc/43/96/94/569439694.db2.gz XEJUWOWOZCKXHQ-AVRWGWEMSA-N 0 0 432.495 5.124 50 0 IKAARN O=C(CCSCCc1ccccn1)Nc1c(Cl)cc(Br)cc1Cl ZINC000003065720 569439698 /nfs/dbraw/zinc/43/96/98/569439698.db2.gz CQHCXTSZWYJVSR-UHFFFAOYSA-N 0 0 434.186 5.455 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000003069994 569439775 /nfs/dbraw/zinc/43/97/75/569439775.db2.gz IWBBHXOWQVNGDM-UHFFFAOYSA-N 0 0 425.340 7.036 50 0 IKAARN FC(F)(F)c1cnc(-n2cnc(CSc3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000003070006 569439788 /nfs/dbraw/zinc/43/97/88/569439788.db2.gz CFFNRMREKYPJER-UHFFFAOYSA-N 0 0 439.677 5.934 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccccc2NC(=S)c2ccccc2Cl)cc1 ZINC000003080188 569439873 /nfs/dbraw/zinc/43/98/73/569439873.db2.gz CHNGMYUIRZKSLN-UHFFFAOYSA-N 0 0 437.996 6.226 50 0 IKAARN COc1ccc(-c2nc(CSc3nncn3CCc3cccs3)cs2)cc1OC ZINC000029988534 569439961 /nfs/dbraw/zinc/43/99/61/569439961.db2.gz OXKJOTHMQFBMCD-UHFFFAOYSA-N 0 0 444.607 5.015 50 0 IKAARN CN1[C@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@@H]1c1ccccc1 ZINC000230213858 569440146 /nfs/dbraw/zinc/44/01/46/569440146.db2.gz RFLHEKITURKEQY-SVBPBHIXSA-N 0 0 437.633 7.514 50 0 IKAARN Cc1nc(CSc2ccc(Cl)cc2)cc(Sc2c(Cl)cccc2Cl)n1 ZINC000003105887 569440290 /nfs/dbraw/zinc/44/02/90/569440290.db2.gz IRIWQDOMOUAGKY-UHFFFAOYSA-N 0 0 427.809 7.189 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1OC ZINC000230227564 569440325 /nfs/dbraw/zinc/44/03/25/569440325.db2.gz SJNMKJOWLUSYHQ-QNLLGYQCSA-N 0 0 428.532 5.696 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2noc(-c3cccs3)n2)c(C)c1 ZINC000030023260 569440363 /nfs/dbraw/zinc/44/03/63/569440363.db2.gz PKRDCHCFHIPUEJ-UHFFFAOYSA-N 0 0 446.557 5.406 50 0 IKAARN O=C(Nc1ccc(CSc2ccc(Br)cc2)cc1)c1c(F)cccc1F ZINC000003111176 569440418 /nfs/dbraw/zinc/44/04/18/569440418.db2.gz XDZMJUWEWCIMGH-UHFFFAOYSA-N 0 0 434.305 6.272 50 0 IKAARN CCOC(=O)c1sc(=S)sc1SCc1ncc(C(F)(F)F)cc1Cl ZINC000003118836 569440430 /nfs/dbraw/zinc/44/04/30/569440430.db2.gz VLLQQVDTBOEAMY-UHFFFAOYSA-N 0 0 431.935 6.075 50 0 IKAARN CCc1ccccc1NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000030031376 569440529 /nfs/dbraw/zinc/44/05/29/569440529.db2.gz ZTRRBEPQNTZGQL-DTQAZKPQSA-N 0 0 440.952 5.355 50 0 IKAARN OC(CSc1ccc(Cl)c(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003128416 569440589 /nfs/dbraw/zinc/44/05/89/569440589.db2.gz UGQWXXDLGPXOCJ-UHFFFAOYSA-N 0 0 444.210 7.328 50 0 IKAARN Cc1ccc(OP(=O)(NC(c2ccccc2)c2ccccc2)Oc2ccc(C)cc2)cc1 ZINC000003123421 569440613 /nfs/dbraw/zinc/44/06/13/569440613.db2.gz 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COc1ccc2nc(NC(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)cc3)sc2c1 ZINC000003263162 569443280 /nfs/dbraw/zinc/44/32/80/569443280.db2.gz FPFKYZARZDOMIQ-UHFFFAOYSA-N 0 0 446.572 6.434 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)OCc3c(Cl)cccc3Cl)sc2c1Cl ZINC000003262016 569443316 /nfs/dbraw/zinc/44/33/16/569443316.db2.gz ZSDAKFTYKJGNLS-UHFFFAOYSA-N 0 0 436.143 6.881 50 0 IKAARN CC(C)N(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000003263584 569443338 /nfs/dbraw/zinc/44/33/38/569443338.db2.gz YLZYIHLQVFEQKO-UHFFFAOYSA-N 0 0 430.529 5.562 50 0 IKAARN O=C(c1ccc(F)cc1)N1CCCCC[C@H]1Sc1ncnc2sc3c(c21)CCC3 ZINC000003264270 569443344 /nfs/dbraw/zinc/44/33/44/569443344.db2.gz KWSISXHFJDJTJQ-GOSISDBHSA-N 0 0 427.570 5.454 50 0 IKAARN O=C(CSc1ccc(Br)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000003264269 569443387 /nfs/dbraw/zinc/44/33/87/569443387.db2.gz FOYFVJNNQBAPBX-UHFFFAOYSA-N 0 0 428.351 5.759 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(Nc3c(C)cccc3C)s2)c1 ZINC000003266833 569443389 /nfs/dbraw/zinc/44/33/89/569443389.db2.gz RYAZTSAFRCFFEN-HNNXBMFYSA-N 0 0 426.567 5.220 50 0 IKAARN Cc1cccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1C ZINC000003266501 569443404 /nfs/dbraw/zinc/44/34/04/569443404.db2.gz JCMVGWIVHCWPAM-UHFFFAOYSA-N 0 0 443.425 5.256 50 0 IKAARN Nc1c(-c2ccccc2)c(CSc2nc3ccccc3s2)nn1-c1ccc(Cl)cc1 ZINC000003265513 569443408 /nfs/dbraw/zinc/44/34/08/569443408.db2.gz XOPLIUHIUWQKAZ-UHFFFAOYSA-N 0 0 449.004 6.677 50 0 IKAARN c1csc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)c3ccccc3n2)c1 ZINC000003265906 569443411 /nfs/dbraw/zinc/44/34/11/569443411.db2.gz MZQPPLPCCQSKKW-UHFFFAOYSA-N 0 0 439.569 6.162 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)s1 ZINC000003266730 569443430 /nfs/dbraw/zinc/44/34/30/569443430.db2.gz WMQSSVRCVHQLSW-AWEZNQCLSA-N 0 0 442.566 5.002 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000003267822 569443467 /nfs/dbraw/zinc/44/34/67/569443467.db2.gz GATPNABLGVXYAX-UHFFFAOYSA-N 0 0 435.633 6.300 50 0 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/nfs/dbraw/zinc/44/36/67/569443667.db2.gz MZCOFMGDUNVPSN-VWLOTQADSA-N 0 0 449.934 5.843 50 0 IKAARN O=c1c2cc(-c3ccccc3)sc2nc(SCc2ccccc2)n1-c1ccccc1 ZINC000003274774 569443685 /nfs/dbraw/zinc/44/36/85/569443685.db2.gz SIRTXNOVPUOLDW-UHFFFAOYSA-N 0 0 426.566 6.407 50 0 IKAARN C[C@H](NC(=O)COC(=O)CSc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000003275226 569443707 /nfs/dbraw/zinc/44/37/07/569443707.db2.gz VKVCOLJSKYWGCY-NSHDSACASA-N 0 0 432.756 5.160 50 0 IKAARN O=C(NCc1ccccc1)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 ZINC000003275897 569443712 /nfs/dbraw/zinc/44/37/12/569443712.db2.gz JOHOYKKOTKJHCS-UHFFFAOYSA-N 0 0 446.550 5.370 50 0 IKAARN C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003278566 569443770 /nfs/dbraw/zinc/44/37/70/569443770.db2.gz QWAZMVZSRJQFFQ-SNVBAGLBSA-N 0 0 438.694 5.690 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000003286877 569444150 /nfs/dbraw/zinc/44/41/50/569444150.db2.gz XLWQSPUHGDYYJT-UHFFFAOYSA-N 0 0 432.343 5.128 50 0 IKAARN CSc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003280688 569443885 /nfs/dbraw/zinc/44/38/85/569443885.db2.gz ATQGTWBHEYTWGW-IBGZPJMESA-N 0 0 426.925 5.302 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1)Nc1ccccc1F ZINC000003281225 569443890 /nfs/dbraw/zinc/44/38/90/569443890.db2.gz UDEVFFYEFZNVDY-UHFFFAOYSA-N 0 0 447.491 5.219 50 0 IKAARN CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003280686 569443905 /nfs/dbraw/zinc/44/39/05/569443905.db2.gz ATQGTWBHEYTWGW-LJQANCHMSA-N 0 0 426.925 5.302 50 0 IKAARN O=C(NC(=S)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1Br ZINC000003281359 569443919 /nfs/dbraw/zinc/44/39/19/569443919.db2.gz KPTZEDZXPCRNML-UHFFFAOYSA-N 0 0 441.350 5.155 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccnc1 ZINC000003280590 569443928 /nfs/dbraw/zinc/44/39/28/569443928.db2.gz NVYTTZXSBVYQIJ-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1Cl ZINC000003284369 569444002 /nfs/dbraw/zinc/44/40/02/569444002.db2.gz PPGYMBPEABUAQP-JOCHJYFZSA-N 0 0 428.315 5.768 50 0 IKAARN Cc1ccc(Oc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)cc1 ZINC000003284693 569444056 /nfs/dbraw/zinc/44/40/56/569444056.db2.gz HTWNUXCHOSWGTD-UHFFFAOYSA-N 0 0 439.005 7.226 50 0 IKAARN Cc1ccccc1-n1c(SC(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 ZINC000003285396 569444074 /nfs/dbraw/zinc/44/40/74/569444074.db2.gz GEAPHOYSVWNBLT-UHFFFAOYSA-N 0 0 434.568 6.519 50 0 IKAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000003285968 569444097 /nfs/dbraw/zinc/44/40/97/569444097.db2.gz VHBOHXCJUAAUTB-UHFFFAOYSA-N 0 0 449.869 5.127 50 0 IKAARN CCc1nnc(NC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)s1 ZINC000003288574 569444184 /nfs/dbraw/zinc/44/41/84/569444184.db2.gz YGNWGMQISPRHJX-UHFFFAOYSA-N 0 0 437.472 5.080 50 0 IKAARN CC(C)c1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 ZINC000003288967 569444235 /nfs/dbraw/zinc/44/42/35/569444235.db2.gz ZIBVHXZYWJPXIK-UHFFFAOYSA-N 0 0 441.000 5.426 50 0 IKAARN O=C(N1CCC[C@@H]1c1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000057993509 569444320 /nfs/dbraw/zinc/44/43/20/569444320.db2.gz DBGDOGRJRBHYRW-QZTJIDSGSA-N 0 0 434.590 6.000 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1 ZINC000003290378 569444338 /nfs/dbraw/zinc/44/43/38/569444338.db2.gz WPBZBVICZBPVOK-UHFFFAOYSA-N 0 0 446.389 6.644 50 0 IKAARN O=C(Nc1cccc(I)c1)c1ccccc1OCc1ccc(F)cc1 ZINC000003290518 569444373 /nfs/dbraw/zinc/44/43/73/569444373.db2.gz KCZPRIMIOYGDNG-UHFFFAOYSA-N 0 0 447.247 5.262 50 0 IKAARN COc1ccccc1Nc1nnc(SCC(=O)c2ccccc2Br)s1 ZINC000003291140 569444408 /nfs/dbraw/zinc/44/44/08/569444408.db2.gz YPASULMPFUWUBO-UHFFFAOYSA-N 0 0 436.356 5.028 50 0 IKAARN FC(F)(F)c1cccc(-n2c(SCCOc3ccccc3)nnc2-c2cccnc2)c1 ZINC000003292636 569444498 /nfs/dbraw/zinc/44/44/98/569444498.db2.gz HAKOIGVBTMYFER-UHFFFAOYSA-N 0 0 442.466 5.519 50 0 IKAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c1CC ZINC000003291788 569444506 /nfs/dbraw/zinc/44/45/06/569444506.db2.gz LXJQGBVMZXLMMB-UHFFFAOYSA-N 0 0 427.447 5.391 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 ZINC000003294007 569444544 /nfs/dbraw/zinc/44/45/44/569444544.db2.gz LLSXMSBSFUQIET-UHFFFAOYSA-N 0 0 434.540 5.964 50 0 IKAARN Cc1cc(C)c(NC(=O)c2ccccc2CSc2nnnn2-c2ccccc2)c(C)c1 ZINC000003294589 569444589 /nfs/dbraw/zinc/44/45/89/569444589.db2.gz FXUSJFOMGDYBGC-UHFFFAOYSA-N 0 0 429.549 5.132 50 0 IKAARN COc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc32)c2ccccc2)cc1Cl ZINC000003294867 569444604 /nfs/dbraw/zinc/44/46/04/569444604.db2.gz KMOVLGCKSKDROI-OAQYLSRUSA-N 0 0 435.936 5.764 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)CCOc3ccccc3)cc12 ZINC000003294721 569444617 /nfs/dbraw/zinc/44/46/17/569444617.db2.gz IJAZGOYYKRSYCN-UHFFFAOYSA-N 0 0 425.941 5.200 50 0 IKAARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000003295684 569444638 /nfs/dbraw/zinc/44/46/38/569444638.db2.gz GIBYUYUIUGBSLR-UHFFFAOYSA-N 0 0 427.909 5.650 50 0 IKAARN O=C1C[C@H](Sc2nc(-c3ccccc3)cs2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000003296720 569444782 /nfs/dbraw/zinc/44/47/82/569444782.db2.gz IBNOLKNERLJVEQ-INIZCTEOSA-N 0 0 435.357 5.541 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003297981 569444869 /nfs/dbraw/zinc/44/48/69/569444869.db2.gz SJUGVVQAYJWNTM-MRXNPFEDSA-N 0 0 441.449 6.119 50 0 IKAARN Cc1csc(S[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n1 ZINC000003297463 569444870 /nfs/dbraw/zinc/44/48/70/569444870.db2.gz BVKVICPKYNBMGX-MRXNPFEDSA-N 0 0 442.915 6.596 50 0 IKAARN COc1ccc(-c2nnc(SCCOc3ccc(Cl)cc3Cl)n2C(C)C)cc1 ZINC000003299080 569444894 /nfs/dbraw/zinc/44/48/94/569444894.db2.gz PSGBWGREDQXTSY-UHFFFAOYSA-N 0 0 438.380 6.013 50 0 IKAARN c1cc2c(cc1Sc1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)OCCO2 ZINC000003300556 569445046 /nfs/dbraw/zinc/44/50/46/569445046.db2.gz JHFZTUPSBSACHB-UHFFFAOYSA-N 0 0 439.606 5.088 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003303613 569445110 /nfs/dbraw/zinc/44/51/10/569445110.db2.gz OYVPXSCIUGUMIB-UHFFFAOYSA-N 0 0 441.512 5.430 50 0 IKAARN C[C@@H]1CCc2c(sc3[nH]c(COC(=O)c4ccccc4Nc4ccccc4)nc(=O)c23)C1 ZINC000003304209 569445165 /nfs/dbraw/zinc/44/51/65/569445165.db2.gz WKJXGKNNJVJBBK-OAHLLOKOSA-N 0 0 445.544 5.210 50 0 IKAARN COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2-c2ccccc2)cc1 ZINC000003304378 569445199 /nfs/dbraw/zinc/44/51/99/569445199.db2.gz LRENDJYTMHZTPK-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003364588 569448085 /nfs/dbraw/zinc/44/80/85/569448085.db2.gz OIAQZVHUZNHVGC-MRVPVSSYSA-N 0 0 431.732 5.155 50 0 IKAARN Cc1cc2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2c2ccccc12 ZINC000003308135 569445279 /nfs/dbraw/zinc/44/52/79/569445279.db2.gz RLMDQCLMXTXUCQ-UHFFFAOYSA-N 0 0 438.556 5.189 50 0 IKAARN CCCSc1nnc(COc2ccc(Br)cc2)n1-c1ccc(OCC)cc1 ZINC000003307757 569445310 /nfs/dbraw/zinc/44/53/10/569445310.db2.gz AMZGEQZTAWQRAL-UHFFFAOYSA-N 0 0 448.386 5.510 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003308880 569445346 /nfs/dbraw/zinc/44/53/46/569445346.db2.gz IOVGNNSRBAPLCQ-UHFFFAOYSA-N 0 0 444.325 5.597 50 0 IKAARN Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1CCC(C)C ZINC000003308673 569445350 /nfs/dbraw/zinc/44/53/50/569445350.db2.gz HABFRAAFWGBBCX-UHFFFAOYSA-N 0 0 431.652 6.103 50 0 IKAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000003311190 569445490 /nfs/dbraw/zinc/44/54/90/569445490.db2.gz JITSZYKWAHTAGV-UHFFFAOYSA-N 0 0 441.405 5.040 50 0 IKAARN FC(F)(F)c1ccc(Cl)c(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000003310632 569445498 /nfs/dbraw/zinc/44/54/98/569445498.db2.gz GMLNTQSYMLIASL-UHFFFAOYSA-N 0 0 449.207 5.740 50 0 IKAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003311302 569445517 /nfs/dbraw/zinc/44/55/17/569445517.db2.gz NYBRLTFXDNJSRY-UHFFFAOYSA-N 0 0 447.840 5.745 50 0 IKAARN COc1cccc(-c2cn3nc(COc4ccc(Cl)cc4Cl)n4c3c2CCCC4)c1 ZINC000003311559 569445519 /nfs/dbraw/zinc/44/55/19/569445519.db2.gz JCKUEPORRLDNMM-UHFFFAOYSA-N 0 0 442.346 6.034 50 0 IKAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(OC(F)F)cc1 ZINC000003311976 569445543 /nfs/dbraw/zinc/44/55/43/569445543.db2.gz CQJWHKVONPDLIP-UHFFFAOYSA-N 0 0 429.803 5.091 50 0 IKAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1cccc(Cl)c1Cl ZINC000003311363 569445547 /nfs/dbraw/zinc/44/55/47/569445547.db2.gz ZWTBMVZKTSLVRE-UHFFFAOYSA-N 0 0 428.486 5.144 50 0 IKAARN O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccc2c(c1)OCCO2 ZINC000003314395 569445644 /nfs/dbraw/zinc/44/56/44/569445644.db2.gz KBQPKBSRVWUIEZ-UHFFFAOYSA-N 0 0 436.967 5.063 50 0 IKAARN O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003315370 569445685 /nfs/dbraw/zinc/44/56/85/569445685.db2.gz LWIPGGPOCYIMJI-UHFFFAOYSA-N 0 0 442.729 7.219 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)c1C ZINC000003316159 569445753 /nfs/dbraw/zinc/44/57/53/569445753.db2.gz LIVOXTTWMBPOPE-UHFFFAOYSA-N 0 0 436.509 5.231 50 0 IKAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(SC(F)F)cc2)s1 ZINC000003316291 569445762 /nfs/dbraw/zinc/44/57/62/569445762.db2.gz CVBKYAYXXFVYKA-UHFFFAOYSA-N 0 0 438.550 5.636 50 0 IKAARN CCn1c2ccccc2c(C(=O)CSc2nnnn2-c2ccccc2)c1-c1ccccc1 ZINC000003317856 569445810 /nfs/dbraw/zinc/44/58/10/569445810.db2.gz QJSWRHBUEPJSKZ-UHFFFAOYSA-N 0 0 439.544 5.279 50 0 IKAARN CCOc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003317885 569445829 /nfs/dbraw/zinc/44/58/29/569445829.db2.gz NSVMKBHREBHMKQ-UHFFFAOYSA-N 0 0 432.501 5.158 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCCC4)c(N)c32)cc1 ZINC000003318337 569445836 /nfs/dbraw/zinc/44/58/36/569445836.db2.gz FNKQMWDCJFFSTB-UHFFFAOYSA-N 0 0 429.545 5.457 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000003318538 569445870 /nfs/dbraw/zinc/44/58/70/569445870.db2.gz WRIMJNDLTKBZJR-KRWDZBQOSA-N 0 0 443.016 5.769 50 0 IKAARN C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003320448 569445950 /nfs/dbraw/zinc/44/59/50/569445950.db2.gz IXDNOSXCPXZZKQ-HSBZDZAISA-N 0 0 433.898 6.082 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000003321700 569445951 /nfs/dbraw/zinc/44/59/51/569445951.db2.gz AOQGSSALOUHZSK-UHFFFAOYSA-N 0 0 446.551 5.480 50 0 IKAARN CCCCOC(=O)c1c(N)n(-c2ccc(C(F)(F)F)cc2)c2nc3ccccc3nc21 ZINC000003321955 569446038 /nfs/dbraw/zinc/44/60/38/569446038.db2.gz KJURNXHOXGEYLV-UHFFFAOYSA-N 0 0 428.414 5.132 50 0 IKAARN C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003323721 569446074 /nfs/dbraw/zinc/44/60/74/569446074.db2.gz OZDODFNOFOLCTN-NSHDSACASA-N 0 0 426.851 5.059 50 0 IKAARN O=C(NC1CC1)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)CCCC2 ZINC000003323326 569446076 /nfs/dbraw/zinc/44/60/76/569446076.db2.gz AXIKHOXEQPKEQP-UHFFFAOYSA-N 0 0 444.556 5.395 50 0 IKAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1ccc(OC(F)F)cc1 ZINC000003324237 569446115 /nfs/dbraw/zinc/44/61/15/569446115.db2.gz LXDBJUKQCLTUBF-UHFFFAOYSA-N 0 0 446.258 5.605 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003325125 569446121 /nfs/dbraw/zinc/44/61/21/569446121.db2.gz WCDWQVZISOFBDN-UHFFFAOYSA-N 0 0 429.423 5.752 50 0 IKAARN Clc1ccc(-c2nc3sc4c(c3c(N[C@@H]3CCCc5ccccc53)n2)CCC4)cc1 ZINC000003325045 569446125 /nfs/dbraw/zinc/44/61/25/569446125.db2.gz SBZSQGXBNJBOAJ-HXUWFJFHSA-N 0 0 431.992 6.990 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003326848 569446234 /nfs/dbraw/zinc/44/62/34/569446234.db2.gz MHWQYUKVYHPSHW-QFIPXVFZSA-N 0 0 448.566 6.338 50 0 IKAARN CC(=O)c1ccc(OCCCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 ZINC000003327079 569446242 /nfs/dbraw/zinc/44/62/42/569446242.db2.gz QDDFRQRQARXDDY-OAHLLOKOSA-N 0 0 430.957 5.226 50 0 IKAARN COc1ccc(-c2csc(-n3nc(/C=C\c4ccccc4O)cc3C(F)(F)F)n2)cc1 ZINC000058056169 569446266 /nfs/dbraw/zinc/44/62/66/569446266.db2.gz ZWDYUAGJHTVDPH-TWGQIWQCSA-N 0 0 443.450 5.899 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000003326859 569446269 /nfs/dbraw/zinc/44/62/69/569446269.db2.gz SLXNFSBSDWWSMQ-IBGZPJMESA-N 0 0 448.522 6.258 50 0 IKAARN Cc1ccccc1-n1nnnc1Sc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000003329068 569446310 /nfs/dbraw/zinc/44/63/10/569446310.db2.gz HJJVMBMIACQZEB-UHFFFAOYSA-N 0 0 445.935 5.284 50 0 IKAARN O=C(O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc(Br)cc1 ZINC000003329518 569446394 /nfs/dbraw/zinc/44/63/94/569446394.db2.gz WXDGNKXTEZASJN-QFIPXVFZSA-N 0 0 434.289 5.711 50 0 IKAARN CC(C)c1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1 ZINC000003330744 569446436 /nfs/dbraw/zinc/44/64/36/569446436.db2.gz FOAJEJSOLTWMDN-HKUYNNGSSA-N 0 0 447.423 5.320 50 0 IKAARN O=C(NC1CCCCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000003331550 569446478 /nfs/dbraw/zinc/44/64/78/569446478.db2.gz VXCSTSQDWQXXNV-UHFFFAOYSA-N 0 0 441.380 5.247 50 0 IKAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)Oc3ccc(Cl)c4ccccc34)cc2)cc1 ZINC000003332659 569446527 /nfs/dbraw/zinc/44/65/27/569446527.db2.gz MWTQIUCFQUAIEL-UHFFFAOYSA-N 0 0 444.958 7.589 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 ZINC000003333275 569446534 /nfs/dbraw/zinc/44/65/34/569446534.db2.gz ZKOVKMIPGVWFRK-DEDYPNTBSA-N 0 0 440.326 6.895 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)C(=O)OCc1c(Cl)cccc1Cl)c1cccs1 ZINC000003334686 569446620 /nfs/dbraw/zinc/44/66/20/569446620.db2.gz BPBTYIBPAIJNHD-GOSISDBHSA-N 0 0 434.344 5.139 50 0 IKAARN O=C(O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1cccc(Oc2ccccc2)c1 ZINC000003335447 569446624 /nfs/dbraw/zinc/44/66/24/569446624.db2.gz FBWVKRUTQNDKRG-NDEPHWFRSA-N 0 0 447.490 6.741 50 0 IKAARN CC(C)Cc1ccc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000003336742 569446627 /nfs/dbraw/zinc/44/66/27/569446627.db2.gz UZOPGBATXQGZCK-LVXARBLLSA-N 0 0 428.576 5.624 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000003336743 569446632 /nfs/dbraw/zinc/44/66/32/569446632.db2.gz UZOPGBATXQGZCK-QFQXNSOFSA-N 0 0 428.576 5.624 50 0 IKAARN O=c1[nH]c(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)nc2ccccc12 ZINC000003336253 569446633 /nfs/dbraw/zinc/44/66/33/569446633.db2.gz PXZYCXZVBHIERP-UHFFFAOYSA-N 0 0 437.956 5.242 50 0 IKAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)OCCCC(=O)c3ccc(F)cc3)cc12 ZINC000003336943 569446689 /nfs/dbraw/zinc/44/66/89/569446689.db2.gz HECJLGWUAGJDRO-UHFFFAOYSA-N 0 0 436.508 5.414 50 0 IKAARN Cc1ccc(-c2cc(-c3nnc(SCc4ccc(F)cc4)n3C)c3ccccc3n2)cc1 ZINC000003338433 569446777 /nfs/dbraw/zinc/44/67/77/569446777.db2.gz HVPRSQXLNLQWJE-UHFFFAOYSA-N 0 0 440.547 6.437 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Sc3ccccc3)cc2C)c1 ZINC000058079762 569446797 /nfs/dbraw/zinc/44/67/97/569446797.db2.gz DXKSBHXLBSJEJZ-UHFFFAOYSA-N 0 0 446.601 6.014 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)nc4ccccc43)cc2)cc1 ZINC000003340098 569446808 /nfs/dbraw/zinc/44/68/08/569446808.db2.gz VVOLLRAULDNZSU-UHFFFAOYSA-N 0 0 446.510 6.301 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000003340105 569446839 /nfs/dbraw/zinc/44/68/39/569446839.db2.gz UANCBNMKKNHNOQ-KRWDZBQOSA-N 0 0 426.545 5.443 50 0 IKAARN Cc1ccc(-n2c(SCCCC(=O)c3cccs3)nnc2-c2ccccc2)cc1C ZINC000003340064 569446843 /nfs/dbraw/zinc/44/68/43/569446843.db2.gz PGIMXNWKCKUAMI-UHFFFAOYSA-N 0 0 433.602 6.368 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)c1oc2ccccc2c1COc1ccccc1 ZINC000003341188 569446860 /nfs/dbraw/zinc/44/68/60/569446860.db2.gz GYDDSPWJBFKCEQ-UHFFFAOYSA-N 0 0 435.479 7.056 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003341339 569446885 /nfs/dbraw/zinc/44/68/85/569446885.db2.gz AWLFCSHPQSGIEZ-UHFFFAOYSA-N 0 0 440.893 6.145 50 0 IKAARN COc1ccccc1CN1COc2c(C)c3oc(=O)c(Cc4ccccc4)c(C)c3cc2C1 ZINC000058090604 569446989 /nfs/dbraw/zinc/44/69/89/569446989.db2.gz RJHNZEUUEYUCJJ-UHFFFAOYSA-N 0 0 441.527 5.361 50 0 biogenic IKAARN COc1ccc(-c2csc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)cc1 ZINC000003344599 569447032 /nfs/dbraw/zinc/44/70/32/569447032.db2.gz KEIKLEGRCGVWNR-UHFFFAOYSA-N 0 0 449.532 5.184 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000003344582 569447050 /nfs/dbraw/zinc/44/70/50/569447050.db2.gz NKDLVKJLVNXZNX-UHFFFAOYSA-N 0 0 428.557 6.103 50 0 IKAARN CCN(CC)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)cc1 ZINC000003347019 569447133 /nfs/dbraw/zinc/44/71/33/569447133.db2.gz STRTWBKHTFHGAI-UHFFFAOYSA-N 0 0 445.563 5.145 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)NCCC3=CCCCC3)n2-c2ccccc2)cc1 ZINC000003347041 569447165 /nfs/dbraw/zinc/44/71/65/569447165.db2.gz SEZXYAHKJKNTDA-UHFFFAOYSA-N 0 0 448.592 5.042 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003346780 569447170 /nfs/dbraw/zinc/44/71/70/569447170.db2.gz WAALIUQVBJRECP-HXUWFJFHSA-N 0 0 448.828 5.879 50 0 IKAARN COc1ccc([C@@H](CNC(=S)c2ccc(C(C)(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000003348961 569447255 /nfs/dbraw/zinc/44/72/55/569447255.db2.gz MQUDDKILODXDNE-XMMPIXPASA-N 0 0 442.628 6.571 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 ZINC000003348157 569447273 /nfs/dbraw/zinc/44/72/73/569447273.db2.gz RPDRPJRDIKWXMX-UHFFFAOYSA-N 0 0 434.974 5.291 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)=C[C@@](C)(c1ccc(Cl)cc1)N2 ZINC000003348818 569447279 /nfs/dbraw/zinc/44/72/79/569447279.db2.gz IIRXKZFVLQOQMX-SANMLTNESA-N 0 0 446.381 7.260 50 0 IKAARN CC(=O)c1ccccc1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003349331 569447290 /nfs/dbraw/zinc/44/72/90/569447290.db2.gz PXRYXQUTADNFTG-UHFFFAOYSA-N 0 0 446.528 5.064 50 0 IKAARN CCOC(=O)c1c(-c2ccc3c4c(cccc42)CC3)csc1NC(=O)c1cccc(C)c1 ZINC000003350312 569447332 /nfs/dbraw/zinc/44/73/32/569447332.db2.gz VUTMZXRELBHZBA-UHFFFAOYSA-N 0 0 441.552 6.404 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000003351456 569447368 /nfs/dbraw/zinc/44/73/68/569447368.db2.gz HLOUSBIGPFYJRX-UHFFFAOYSA-N 0 0 437.471 5.511 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000003352838 569447481 /nfs/dbraw/zinc/44/74/81/569447481.db2.gz HXIGSJPSKFPKGJ-UHFFFAOYSA-N 0 0 427.432 5.104 50 0 IKAARN COC(=O)[C@@H](OC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1 ZINC000003353955 569447501 /nfs/dbraw/zinc/44/75/01/569447501.db2.gz JDWGIOXYHBZJQG-IBGZPJMESA-N 0 0 440.908 5.120 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(SCCOc4cccc(Br)c4)c32)C1 ZINC000003353643 569447547 /nfs/dbraw/zinc/44/75/47/569447547.db2.gz WSSFUYJBYCCGLL-GFCCVEGCSA-N 0 0 435.412 5.750 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 ZINC000003354878 569447564 /nfs/dbraw/zinc/44/75/64/569447564.db2.gz OXEBXKDKKCQMQW-NRFANRHFSA-N 0 0 434.539 6.021 50 0 IKAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)s1 ZINC000003355428 569447577 /nfs/dbraw/zinc/44/75/77/569447577.db2.gz MVSRCPRCPHITRO-UHFFFAOYSA-N 0 0 433.432 6.174 50 0 IKAARN O=c1nc(CSc2ncnc3sc4c(c32)CCCC4)[nH]c2sc3c(c21)CCCC3 ZINC000003356431 569447617 /nfs/dbraw/zinc/44/76/17/569447617.db2.gz IDLAGLMYEQDMOX-UHFFFAOYSA-N 0 0 440.619 5.039 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1 ZINC000003355785 569447634 /nfs/dbraw/zinc/44/76/34/569447634.db2.gz NYDBITAOYFRBJS-UHFFFAOYSA-N 0 0 441.478 6.157 50 0 IKAARN COc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2cccs2)cc1 ZINC000003355772 569447635 /nfs/dbraw/zinc/44/76/35/569447635.db2.gz MQGUNDFVUSPSLT-UHFFFAOYSA-N 0 0 447.507 6.316 50 0 IKAARN Cc1ccc(C(=O)[C@@H](Sc2nnc(NC3CCCCC3)s2)c2ccc(C)cc2)cc1 ZINC000003357938 569447706 /nfs/dbraw/zinc/44/77/06/569447706.db2.gz QWIVBGYIZIYBGO-QFIPXVFZSA-N 0 0 437.634 6.616 50 0 IKAARN CN(Cc1ccccc1)c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000003357544 569447708 /nfs/dbraw/zinc/44/77/08/569447708.db2.gz BBMSLHBWZFTXAQ-UHFFFAOYSA-N 0 0 428.605 5.981 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccc(OC(F)F)cc1 ZINC000003360498 569447886 /nfs/dbraw/zinc/44/78/86/569447886.db2.gz CMMMOOQDXBXJIV-UHFFFAOYSA-N 0 0 428.435 5.419 50 0 IKAARN CC[C@@H](C)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C ZINC000003361628 569447922 /nfs/dbraw/zinc/44/79/22/569447922.db2.gz WYEUQFSRRVOQQE-CYBMUJFWSA-N 0 0 433.426 5.081 50 0 IKAARN C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003362487 569447973 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O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003440823 569451214 /nfs/dbraw/zinc/45/12/14/569451214.db2.gz CCPRRXNPQRNKED-UHFFFAOYSA-N 0 0 425.859 5.427 50 0 IKAARN O=c1cc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c2cc3c(cc2o1)CCC3 ZINC000003443212 569451283 /nfs/dbraw/zinc/45/12/83/569451283.db2.gz BNACCNPGZZEYIJ-UHFFFAOYSA-N 0 0 442.443 5.225 50 0 IKAARN CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC000003446072 569451393 /nfs/dbraw/zinc/45/13/93/569451393.db2.gz FQGMAAVBXHIVHL-UHFFFAOYSA-N 0 0 434.561 5.222 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C ZINC000003445697 569451413 /nfs/dbraw/zinc/45/14/13/569451413.db2.gz RNNDPLOOLPHODH-UHFFFAOYSA-N 0 0 436.558 5.166 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000003446843 569451439 /nfs/dbraw/zinc/45/14/39/569451439.db2.gz AIBBLDAVWHKKHQ-KKSFZXQISA-N 0 0 445.592 5.856 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)N1CCCc2ccccc21 ZINC000003449023 569451569 /nfs/dbraw/zinc/45/15/69/569451569.db2.gz UGAZWQRIGWSRKF-KRWDZBQOSA-N 0 0 434.561 5.372 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccc(O)c2)cc1NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000058245993 569451607 /nfs/dbraw/zinc/45/16/07/569451607.db2.gz MTLFBEVNYQYLJF-IRXDYDNUSA-N 0 0 448.523 5.172 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccc(O)c2)cc1NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000058245994 569451637 /nfs/dbraw/zinc/45/16/37/569451637.db2.gz MTLFBEVNYQYLJF-DLBZAZTESA-N 0 0 448.523 5.172 50 0 IKAARN CCc1cccc(OCCSc2nnc(COc3ccccc3F)n2-c2ccccc2)c1 ZINC000003450989 569451675 /nfs/dbraw/zinc/45/16/75/569451675.db2.gz XUPZBVOXCUZZSN-UHFFFAOYSA-N 0 0 449.551 5.719 50 0 IKAARN CC(C)(C)c1nnc2sc(SCCSc3cc(Cl)ccc3Cl)nn2c1=O ZINC000003450869 569451677 /nfs/dbraw/zinc/45/16/77/569451677.db2.gz GXPXCYFSWIAZGN-UHFFFAOYSA-N 0 0 447.438 5.035 50 0 IKAARN Cn1c(SCc2cccc(Cl)c2)nnc1-c1csc(-c2ccc(Cl)cc2)n1 ZINC000003469893 569452064 /nfs/dbraw/zinc/45/20/64/569452064.db2.gz HXQDKXIIMHXISA-UHFFFAOYSA-N 0 0 433.389 6.205 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc(C)c(-c2nccn2C)s1 ZINC000030994148 569452169 /nfs/dbraw/zinc/45/21/69/569452169.db2.gz INCLEGUOFFJVHX-UHFFFAOYSA-N 0 0 439.566 5.001 50 0 IKAARN Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000003477761 569452217 /nfs/dbraw/zinc/45/22/17/569452217.db2.gz BOFGHVOFHNWQFH-ZHRRBRCNSA-N 0 0 430.581 5.635 50 0 IKAARN Cc1cc(C)cc(-n2c(S[C@H](C)C(=O)N(C)c3ccccc3)nc3ccccc3c2=O)c1 ZINC000003477312 569452248 /nfs/dbraw/zinc/45/22/48/569452248.db2.gz NQWDBLWFTULTHH-LJQANCHMSA-N 0 0 443.572 5.146 50 0 IKAARN C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003483107 569452382 /nfs/dbraw/zinc/45/23/82/569452382.db2.gz NHRFRXKVCKLEJD-LBPRGKRZSA-N 0 0 447.274 5.023 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000003486613 569452402 /nfs/dbraw/zinc/45/24/02/569452402.db2.gz UIRVJMBFILBPLS-LJQANCHMSA-N 0 0 434.923 5.623 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)Nc1cc(F)ccc1F ZINC000003491025 569452510 /nfs/dbraw/zinc/45/25/10/569452510.db2.gz VZLMGFSUVWAXJC-UHFFFAOYSA-N 0 0 448.926 5.723 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 ZINC000003491100 569452518 /nfs/dbraw/zinc/45/25/18/569452518.db2.gz HACRXGSYGKJJLE-GOSISDBHSA-N 0 0 429.549 5.065 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)n3C)cs2)cc1 ZINC000003503855 569452882 /nfs/dbraw/zinc/45/28/82/569452882.db2.gz UUHQBJNIRNOUGH-LJQANCHMSA-N 0 0 436.562 5.052 50 0 IKAARN COc1ccc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl ZINC000003515494 569453080 /nfs/dbraw/zinc/45/30/80/569453080.db2.gz KSSFSCHQGAIERI-UHFFFAOYSA-N 0 0 444.723 5.666 50 0 IKAARN COc1ccc(C)cc1N(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000003547599 569453736 /nfs/dbraw/zinc/45/37/36/569453736.db2.gz HMUSSOYUGYSGCC-NRFANRHFSA-N 0 0 432.501 5.118 50 0 IKAARN COCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000031138556 569453881 /nfs/dbraw/zinc/45/38/81/569453881.db2.gz CKIUYDWJKKEVCP-UHFFFAOYSA-N 0 0 428.410 5.210 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2cc(C)ccc2Cl)cc1 ZINC000003556428 569453892 /nfs/dbraw/zinc/45/38/92/569453892.db2.gz IBTLKJHAVHVNLC-UHFFFAOYSA-N 0 0 429.925 5.083 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(CC)c2ccccc2)s1 ZINC000003556745 569453928 /nfs/dbraw/zinc/45/39/28/569453928.db2.gz BTKLOTJOKWKQME-OAHLLOKOSA-N 0 0 428.583 5.214 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000003586217 569454514 /nfs/dbraw/zinc/45/45/14/569454514.db2.gz BJYVRFREBQWXOS-FQEVSTJZSA-N 0 0 439.559 6.128 50 0 IKAARN O=C(c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)S2)N1CCc2ccccc2C1 ZINC000003589150 569454530 /nfs/dbraw/zinc/45/45/30/569454530.db2.gz NOQQWVLPJRZRKB-UCQKPKSFSA-N 0 0 446.959 5.624 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1Cl ZINC000058438690 569454751 /nfs/dbraw/zinc/45/47/51/569454751.db2.gz NNEGKYBRWPQNSI-UHFFFAOYSA-N 0 0 436.339 5.662 50 0 IKAARN Cc1ccc([C@](O)(CCNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C(F)(F)F)o1 ZINC000058440040 569454783 /nfs/dbraw/zinc/45/47/83/569454783.db2.gz XSZICCRPAXQMHX-GAJHUEQPSA-N 0 0 448.485 5.186 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1 ZINC000003603313 569454846 /nfs/dbraw/zinc/45/48/46/569454846.db2.gz RPQJSHXHOOPFJP-UHFFFAOYSA-N 0 0 436.316 5.038 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000003614200 569454966 /nfs/dbraw/zinc/45/49/66/569454966.db2.gz JAYGVFSPUJVBID-SSEXGKCCSA-N 0 0 448.610 7.192 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000003615664 569455046 /nfs/dbraw/zinc/45/50/46/569455046.db2.gz UQMXNUWIGZNVPB-JPPCNPEHSA-N 0 0 442.515 5.048 50 0 biogenic IKAARN Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000003629525 569455148 /nfs/dbraw/zinc/45/51/48/569455148.db2.gz WUIXDZOVZQSYJA-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN CC(C)c1ccc(-c2c3c(N)c(C(=O)Nc4ccccc4)sc3nc3c2CCCC3)cc1 ZINC000003625099 569455151 /nfs/dbraw/zinc/45/51/51/569455151.db2.gz GLYDVAJDHGYUFU-UHFFFAOYSA-N 0 0 441.600 6.800 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000003629724 569455225 /nfs/dbraw/zinc/45/52/25/569455225.db2.gz MCDVSDIODAGPFD-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN CCOc1ccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000003629673 569455245 /nfs/dbraw/zinc/45/52/45/569455245.db2.gz MFOKQALQFHZSSI-UHFFFAOYSA-N 0 0 440.425 5.375 50 0 IKAARN O=C1N[C@@H](c2ccc(-c3cccc(Br)c3)o2)Nc2sc3c(c21)CCCC3 ZINC000003647326 569455602 /nfs/dbraw/zinc/45/56/02/569455602.db2.gz WEJUKPVOZBAUOG-GOSISDBHSA-N 0 0 429.339 6.078 50 0 IKAARN COc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1Br ZINC000031317430 569455818 /nfs/dbraw/zinc/45/58/18/569455818.db2.gz DHILFPGFUIYMCY-UHFFFAOYSA-N 0 0 428.248 5.281 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003658348 569455838 /nfs/dbraw/zinc/45/58/38/569455838.db2.gz DBLMRTSIMBISCS-UHFFFAOYSA-N 0 0 439.367 6.623 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(Cl)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000003659196 569455841 /nfs/dbraw/zinc/45/58/41/569455841.db2.gz WTFXVHTZFGIPAQ-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN COc1ccc(CNC(=O)c2cc(Sc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000003658352 569455859 /nfs/dbraw/zinc/45/58/59/569455859.db2.gz ITNRCQYRGBDJBD-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN Cc1ccc(Sc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000003658308 569455880 /nfs/dbraw/zinc/45/58/80/569455880.db2.gz ZRTLVMWHAMVHAV-UHFFFAOYSA-N 0 0 432.976 6.320 50 0 IKAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031393106 569456236 /nfs/dbraw/zinc/45/62/36/569456236.db2.gz QFNXQDPTJWNJKQ-QGZVFWFLSA-N 0 0 439.487 5.526 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000003742126 569456282 /nfs/dbraw/zinc/45/62/82/569456282.db2.gz INSMCAPEZBZFAF-MHZLTWQESA-N 0 0 436.511 5.802 50 0 IKAARN CCOc1ccccc1-c1noc(CSCC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000031419726 569456375 /nfs/dbraw/zinc/45/63/75/569456375.db2.gz QNNHPOMZTGRWSV-KRWDZBQOSA-N 0 0 447.560 5.399 50 0 IKAARN O=C(Cc1nc(-c2ccc(Br)cc2)cs1)Nc1c(Cl)cccc1Cl ZINC000003768054 569456410 /nfs/dbraw/zinc/45/64/10/569456410.db2.gz VGZAVCGFCYSYPG-UHFFFAOYSA-N 0 0 442.165 6.061 50 0 IKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 ZINC000031545205 569456720 /nfs/dbraw/zinc/45/67/20/569456720.db2.gz ITBMAQLDIAKTAU-UHFFFAOYSA-N 0 0 430.552 5.011 50 0 IKAARN O=C(O/C(=C/c1nc2ccccc2n1Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000003876678 569456801 /nfs/dbraw/zinc/45/68/01/569456801.db2.gz DMQWWJXOLRGXSL-NHFJDJAPSA-N 0 0 430.507 6.440 50 0 IKAARN Cc1c([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3F)o2)cnn1-c1ccc(C)cc1 ZINC000031563665 569456818 /nfs/dbraw/zinc/45/68/18/569456818.db2.gz FKHDVNPGRFAEEC-QGZVFWFLSA-N 0 0 432.499 5.093 50 0 IKAARN C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1nc(C(C)(C)C)no1 ZINC000031697083 569457015 /nfs/dbraw/zinc/45/70/15/569457015.db2.gz SEZPIOCXULICBW-LBPRGKRZSA-N 0 0 426.567 5.196 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1)c1ccco1 ZINC000031716737 569457060 /nfs/dbraw/zinc/45/70/60/569457060.db2.gz NPCSVRSOQTZHKE-UHFFFAOYSA-N 0 0 425.238 5.293 50 0 IKAARN O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1Oc1ccccc1Cl ZINC000031748041 569457189 /nfs/dbraw/zinc/45/71/89/569457189.db2.gz LMUAUXRLWBNXCM-UHFFFAOYSA-N 0 0 443.952 5.118 50 0 IKAARN CCCCCc1ccc(-c2ccc(-c3noc(C4CCC(CCCCC)CC4)n3)cc2)cc1 ZINC000003997835 569457639 /nfs/dbraw/zinc/45/76/39/569457639.db2.gz ZCTWYWZDLMXJSC-UHFFFAOYSA-N 0 0 444.663 8.990 50 0 IKAARN COc1ccc(-c2noc(-c3sc(NC(=O)c4ccc(Cl)cc4)nc3C)n2)cc1 ZINC000031815423 569457945 /nfs/dbraw/zinc/45/79/45/569457945.db2.gz TXIHPTNMMHPWSA-UHFFFAOYSA-N 0 0 426.885 5.083 50 0 IKAARN CCCOc1ccccc1C(=O)Nc1nc(C)c(-c2nc(-c3cccs3)no2)s1 ZINC000031816022 569457965 /nfs/dbraw/zinc/45/79/65/569457965.db2.gz GKEJBTXMQVVJJB-UHFFFAOYSA-N 0 0 426.523 5.271 50 0 IKAARN Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nc(-c2cccs2)no1 ZINC000031816985 569458012 /nfs/dbraw/zinc/45/80/12/569458012.db2.gz ODMYRFHQBYTXDJ-UHFFFAOYSA-N 0 0 437.333 5.789 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004015736 569458221 /nfs/dbraw/zinc/45/82/21/569458221.db2.gz VBOQWIFOHCYPSX-UHFFFAOYSA-N 0 0 443.374 6.401 50 0 IKAARN CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000004028713 569458265 /nfs/dbraw/zinc/45/82/65/569458265.db2.gz LSBXOTFRMIJYQL-YFUDTJBDSA-N 0 0 435.649 5.056 50 0 biogenic IKAARN CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000004028714 569458277 /nfs/dbraw/zinc/45/82/77/569458277.db2.gz LSBXOTFRMIJYQL-VBNDEOFKSA-N 0 0 435.649 5.056 50 0 biogenic IKAARN CCCCCNC(=O)OC[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000004024645 569458279 /nfs/dbraw/zinc/45/82/79/569458279.db2.gz BTQCHPRUVKAYMZ-HZONZTAHSA-N 0 0 429.557 5.238 50 0 biogenic IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)CC1=O ZINC000031903458 569458324 /nfs/dbraw/zinc/45/83/24/569458324.db2.gz AGNGIISVOPLPSW-NRFANRHFSA-N 0 0 433.596 5.663 50 0 IKAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c12 ZINC000004046003 569458406 /nfs/dbraw/zinc/45/84/06/569458406.db2.gz OXVVTEDWDFCUSB-UHFFFAOYSA-N 0 0 431.529 5.044 50 0 biogenic IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1OC ZINC000004089055 569458775 /nfs/dbraw/zinc/45/87/75/569458775.db2.gz XABDQFDNJGFTEB-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1 ZINC000004089848 569458886 /nfs/dbraw/zinc/45/88/86/569458886.db2.gz BOZKOANPBUIAAU-UHFFFAOYSA-N 0 0 446.359 5.115 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000004090596 569458930 /nfs/dbraw/zinc/45/89/30/569458930.db2.gz ZQXMPDSNAUMFSW-UHFFFAOYSA-N 0 0 439.540 5.527 50 0 IKAARN C[C@@H](Cc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)c1ccccc1 ZINC000059086892 569458947 /nfs/dbraw/zinc/45/89/47/569458947.db2.gz VAQYDWBLDBLXFT-IBGZPJMESA-N 0 0 428.601 5.926 50 0 IKAARN O=c1oc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nn1Cc1ccccc1 ZINC000004105421 569459075 /nfs/dbraw/zinc/45/90/75/569459075.db2.gz UKTJAIPHPNWQDK-UHFFFAOYSA-N 0 0 427.287 5.437 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1Cl ZINC000004109825 569459146 /nfs/dbraw/zinc/45/91/46/569459146.db2.gz JLNVQLFWEYSGHP-UHFFFAOYSA-N 0 0 427.879 5.086 50 0 IKAARN Cc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032070254 569459178 /nfs/dbraw/zinc/45/91/78/569459178.db2.gz PICSDLZWSZNDIL-UHFFFAOYSA-N 0 0 428.876 5.142 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccnc2)nc2ccccc21 ZINC000032070624 569459191 /nfs/dbraw/zinc/45/91/91/569459191.db2.gz CTCKWTXEZAAFPR-UHFFFAOYSA-N 0 0 427.813 6.221 50 0 IKAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000032072567 569459277 /nfs/dbraw/zinc/45/92/77/569459277.db2.gz UYRNDGCBKDXCBQ-QGZVFWFLSA-N 0 0 444.413 5.057 50 0 IKAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000032074462 569459326 /nfs/dbraw/zinc/45/93/26/569459326.db2.gz BFKXEJJLYFYCTP-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2Cc1ccc(Cl)cc1Cl ZINC000032074744 569459336 /nfs/dbraw/zinc/45/93/36/569459336.db2.gz AHLHVRPRYIXTHS-UHFFFAOYSA-N 0 0 445.331 5.338 50 0 IKAARN Clc1ccccc1COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000004112712 569459405 /nfs/dbraw/zinc/45/94/05/569459405.db2.gz SVNOUXPQWZTDNM-UHFFFAOYSA-N 0 0 436.942 7.643 50 0 IKAARN O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cccc(OCc2ccccc2)c1 ZINC000032093136 569459733 /nfs/dbraw/zinc/45/97/33/569459733.db2.gz FMDRSQLZPKHJCP-UHFFFAOYSA-N 0 0 437.455 5.427 50 0 IKAARN COc1ccc(-c2noc(-c3sc(NC(=O)Cc4ccc(Cl)cc4)nc3C)n2)cc1 ZINC000032095348 569459835 /nfs/dbraw/zinc/45/98/35/569459835.db2.gz JIVYQAHRVMUBGG-UHFFFAOYSA-N 0 0 440.912 5.012 50 0 IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004122487 569459991 /nfs/dbraw/zinc/45/99/91/569459991.db2.gz QPIINSSMCRCHQO-UHFFFAOYSA-N 0 0 444.560 5.623 50 0 IKAARN Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000004145710 569460438 /nfs/dbraw/zinc/46/04/38/569460438.db2.gz FMPHXTIUQFPNJQ-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2C)o1 ZINC000004145690 569460439 /nfs/dbraw/zinc/46/04/39/569460439.db2.gz AHXQUEDBHLSBSE-UHFFFAOYSA-N 0 0 439.924 5.568 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 ZINC000004145553 569460441 /nfs/dbraw/zinc/46/04/41/569460441.db2.gz GENXQLIQMLBYNY-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1Cl ZINC000004145666 569460443 /nfs/dbraw/zinc/46/04/43/569460443.db2.gz YWQOJGLBSPHDQL-UHFFFAOYSA-N 0 0 449.963 5.732 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2OC)cc1 ZINC000004145811 569460481 /nfs/dbraw/zinc/46/04/81/569460481.db2.gz OAJKDKAQZIHZKL-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN Cc1ccc(C(=O)N(CCc2csc3nc(-c4ccccc4)cn23)C[C@@H]2CCCO2)cc1 ZINC000004157877 569460545 /nfs/dbraw/zinc/46/05/45/569460545.db2.gz FUUASJRMMWKSDL-QHCPKHFHSA-N 0 0 445.588 5.235 50 0 IKAARN COc1ccccc1-c1nc2c(OCc3ccccc3)cccn2c1NCc1ccccc1 ZINC000004156775 569460548 /nfs/dbraw/zinc/46/05/48/569460548.db2.gz BQTYMPNLECTMEY-UHFFFAOYSA-N 0 0 435.527 6.201 50 0 IKAARN CC(C)Cc1nc2c(Br)cc(Br)cn2c1NC1CCCCC1 ZINC000004157470 569460573 /nfs/dbraw/zinc/46/05/73/569460573.db2.gz JAFHVIINIZPUDP-UHFFFAOYSA-N 0 0 429.200 5.802 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(F)cc3F)nnc2-c2ccccc2Cl)cc1 ZINC000004185652 569460725 /nfs/dbraw/zinc/46/07/25/569460725.db2.gz RLRHDAUCOVYOTG-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN COc1ccccc1-n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 ZINC000004185681 569460758 /nfs/dbraw/zinc/46/07/58/569460758.db2.gz WJNRRCKXFBMLAF-UHFFFAOYSA-N 0 0 432.332 6.135 50 0 IKAARN COc1ccccc1-n1c(SCc2ccc(F)c(F)c2)nnc1-c1ccccc1Cl ZINC000004188467 569460782 /nfs/dbraw/zinc/46/07/82/569460782.db2.gz JTCXCMNIOHRKTL-UHFFFAOYSA-N 0 0 443.906 6.167 50 0 IKAARN COc1ccccc1-n1c(SCc2cc(C)ccc2C)nnc1-c1ccccc1Cl ZINC000004187511 569460792 /nfs/dbraw/zinc/46/07/92/569460792.db2.gz FCBLZCNPPLJIDI-UHFFFAOYSA-N 0 0 435.980 6.505 50 0 IKAARN Fc1ccccc1-n1c(SCc2c(F)cccc2F)nnc1-c1ccccc1Cl ZINC000004186141 569460797 /nfs/dbraw/zinc/46/07/97/569460797.db2.gz LBOHUTYKMMBOOX-UHFFFAOYSA-N 0 0 431.870 6.297 50 0 IKAARN CCC[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1OC)C(=O)OCC ZINC000004186498 569460807 /nfs/dbraw/zinc/46/08/07/569460807.db2.gz SHTIAQCFJWETBP-IBGZPJMESA-N 0 0 445.972 5.420 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(Cl)c2)c1 ZINC000004187023 569460812 /nfs/dbraw/zinc/46/08/12/569460812.db2.gz VZGAHJLAGDRRRI-UHFFFAOYSA-N 0 0 425.897 5.260 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OCc2ccccc2)c1 ZINC000004186534 569460821 /nfs/dbraw/zinc/46/08/21/569460821.db2.gz VODGCLFBNBUVOL-UHFFFAOYSA-N 0 0 429.545 5.002 50 0 IKAARN C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(F)c(Cl)c2)S1 ZINC000004207774 569460899 /nfs/dbraw/zinc/46/08/99/569460899.db2.gz TXRKHHZPLOLGEQ-SECBINFHSA-N 0 0 432.735 6.316 50 0 IKAARN COc1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2-c2ccccc2)cc1 ZINC000004211423 569460965 /nfs/dbraw/zinc/46/09/65/569460965.db2.gz DAEZBMWRHQNCCV-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN Cc1ccccc1-n1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1F ZINC000004209182 569460978 /nfs/dbraw/zinc/46/09/78/569460978.db2.gz NYBXTZTVVIIDIO-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN Cc1ccc(-n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2F)cc1 ZINC000004211395 569461010 /nfs/dbraw/zinc/46/10/10/569461010.db2.gz DLZUDGPRFMVHAW-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000004212040 569461017 /nfs/dbraw/zinc/46/10/17/569461017.db2.gz OOXRPKGWQWKUFZ-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN COc1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2-c2ccc(C)cc2)cc1 ZINC000004212724 569461042 /nfs/dbraw/zinc/46/10/42/569461042.db2.gz WZOREQSWWFFZOZ-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2-c2ccccc2C)cc1 ZINC000004212021 569461046 /nfs/dbraw/zinc/46/10/46/569461046.db2.gz PVHWVLAPVBTTGG-UHFFFAOYSA-N 0 0 439.943 6.336 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2C)cc1 ZINC000004212005 569461059 /nfs/dbraw/zinc/46/10/59/569461059.db2.gz KBBMCWWXETULLP-UHFFFAOYSA-N 0 0 445.544 5.235 50 0 IKAARN CCCCOc1ccc(-c2nc3sc(-c4ccc(OCCCC)cc4)nc3s2)cc1 ZINC000059386337 569461066 /nfs/dbraw/zinc/46/10/66/569461066.db2.gz GFZKOGVDNVMRNK-UHFFFAOYSA-N 0 0 438.618 7.445 50 0 IKAARN Cc1ccc(-c2nc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)n[nH]2)cc1 ZINC000059382464 569461101 /nfs/dbraw/zinc/46/11/01/569461101.db2.gz GBLWKIYOPFWOQV-UHFFFAOYSA-N 0 0 433.580 6.864 50 0 IKAARN COc1ccc2[nH]cc(C3=CCN(C(=O)COc4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000032337342 569461356 /nfs/dbraw/zinc/46/13/56/569461356.db2.gz GPMVYUKGBASINU-UHFFFAOYSA-N 0 0 431.319 5.178 50 0 IKAARN CCOc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCc1ccncc1 ZINC000032451227 569461749 /nfs/dbraw/zinc/46/17/49/569461749.db2.gz VJSJJSYXQBBOSZ-UHFFFAOYSA-N 0 0 438.527 5.579 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)Cn2c(=S)[nH]nc2-c2cccc(C)c2)cc1 ZINC000032461021 569461846 /nfs/dbraw/zinc/46/18/46/569461846.db2.gz OEWDSUKIIYHZPM-OAQYLSRUSA-N 0 0 436.581 5.069 50 0 IKAARN Cc1nc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n(C2CCCCC2)c1C ZINC000007988978 569462057 /nfs/dbraw/zinc/46/20/57/569462057.db2.gz MXLQLHXSWUYXFT-MRXNPFEDSA-N 0 0 429.655 6.015 50 0 IKAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)C2CCC(C(C)(C)C)CC2)cs1 ZINC000008036310 569462107 /nfs/dbraw/zinc/46/21/07/569462107.db2.gz KIWJWEZGTHQHQB-UHFFFAOYSA-N 0 0 428.598 5.528 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)cc1 ZINC000066400611 569462130 /nfs/dbraw/zinc/46/21/30/569462130.db2.gz DPVRGTXFRVOFRJ-UHFFFAOYSA-N 0 0 448.910 5.633 50 0 IKAARN CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)c[nH]c21 ZINC000038162275 569462242 /nfs/dbraw/zinc/46/22/42/569462242.db2.gz WPMVZNNUWONCRZ-NVMNQCDNSA-N 0 0 431.344 6.274 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1C1CCCCC1 ZINC000008191235 569462406 /nfs/dbraw/zinc/46/24/06/569462406.db2.gz LQHTZTNCZWGIIO-UHFFFAOYSA-N 0 0 427.618 5.203 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000008386543 569462730 /nfs/dbraw/zinc/46/27/30/569462730.db2.gz NTPKMHDVMINDRF-UHFFFAOYSA-N 0 0 445.540 6.314 50 0 IKAARN COc1ccc(/C(C)=C\[C@@](C)(CC(C)(C)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000008386393 569462751 /nfs/dbraw/zinc/46/27/51/569462751.db2.gz PUBDJFKTFGQVMO-KRFKBLHGSA-N 0 0 444.615 7.442 50 0 IKAARN CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1 ZINC000038486546 569462795 /nfs/dbraw/zinc/46/27/95/569462795.db2.gz RCEZXGPZGLPBFR-UHFFFAOYSA-N 0 0 435.524 5.245 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nccn2nc(-c3cc(C)ccc3C)cc12 ZINC000038486631 569462797 /nfs/dbraw/zinc/46/27/97/569462797.db2.gz SCTFSYRJWZQQRN-UHFFFAOYSA-N 0 0 440.572 6.577 50 0 IKAARN COc1cccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c1 ZINC000038486450 569462810 /nfs/dbraw/zinc/46/28/10/569462810.db2.gz GIFGZUKHHLPWQG-UHFFFAOYSA-N 0 0 426.339 5.460 50 0 IKAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1-c1nc(-c2ccccc2)no1 ZINC000038487764 569462968 /nfs/dbraw/zinc/46/29/68/569462968.db2.gz RHMZEQHRPAUVAF-UHFFFAOYSA-N 0 0 437.521 5.023 50 0 IKAARN O=C(Nc1sccc1-c1nc2ccccc2s1)c1cc(Br)ccc1Cl ZINC000038493068 569463129 /nfs/dbraw/zinc/46/31/29/569463129.db2.gz PHEMILNHDAXFOF-UHFFFAOYSA-N 0 0 449.782 6.693 50 0 IKAARN O=C(Nc1c(F)cccc1F)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038536187 569463201 /nfs/dbraw/zinc/46/32/01/569463201.db2.gz ZGYCEMLMVHVWSH-UHFFFAOYSA-N 0 0 438.400 5.277 50 0 IKAARN Fc1ccccc1C1=NN(c2ccccc2Br)[C@@H](c2ccc(Cl)cc2)C1 ZINC000008398022 569463228 /nfs/dbraw/zinc/46/32/28/569463228.db2.gz MYXANITVNABXTP-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN Cc1cc([C@@H](c2ccc(Cl)cc2Cl)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545909 569463303 /nfs/dbraw/zinc/46/33/03/569463303.db2.gz UBJIIVOGQMORNK-HXUWFJFHSA-N 0 0 449.403 6.784 50 0 IKAARN CCc1cc([C@@H](c2ccc3c(c2)OCO3)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545943 569463313 /nfs/dbraw/zinc/46/33/13/569463313.db2.gz XOICEHIOLZCCCC-JOCHJYFZSA-N 0 0 438.549 5.460 50 0 IKAARN COc1ccc(OC)c([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1 ZINC000038545908 569463327 /nfs/dbraw/zinc/46/33/27/569463327.db2.gz FYYJAMPVPREDCC-QFIPXVFZSA-N 0 0 440.565 5.494 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(F)c2)N2CCOCC2)c1C ZINC000038546082 569463382 /nfs/dbraw/zinc/46/33/82/569463382.db2.gz LBKVKVAKDDTBQO-HXUWFJFHSA-N 0 0 430.570 5.239 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(F)cc2)N2CCOCC2)c1C ZINC000038546080 569463437 /nfs/dbraw/zinc/46/34/37/569463437.db2.gz IHIVRLUVYDEFEJ-HXUWFJFHSA-N 0 0 430.570 5.239 50 0 IKAARN CCc1cc([C@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546449 569463541 /nfs/dbraw/zinc/46/35/41/569463541.db2.gz FPCURBIOIIGUAI-NRFANRHFSA-N 0 0 444.000 5.146 50 0 IKAARN Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCN(C)CC2)cc1 ZINC000038546509 569463546 /nfs/dbraw/zinc/46/35/46/569463546.db2.gz OSZAVWRHJSSPKN-DEOSSOPVSA-N 0 0 449.620 5.117 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2F)N2CCN(C)CC2)c1C ZINC000038546741 569463689 /nfs/dbraw/zinc/46/36/89/569463689.db2.gz KLLVJCAKPJQWGP-NRFANRHFSA-N 0 0 443.613 5.155 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2ccc(F)cc2)c1C ZINC000038547038 569463753 /nfs/dbraw/zinc/46/37/53/569463753.db2.gz DZUWJZNPGSWJDT-DEOSSOPVSA-N 0 0 445.563 6.661 50 0 IKAARN CCc1cc([C@@H](Nc2ccccn2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038547048 569463793 /nfs/dbraw/zinc/46/37/93/569463793.db2.gz MVHNZNNMFHFCJT-QHCPKHFHSA-N 0 0 431.536 6.298 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2cccs2)c1C ZINC000038547537 569463821 /nfs/dbraw/zinc/46/38/21/569463821.db2.gz HZUMYJQCVUWHLG-QFIPXVFZSA-N 0 0 433.602 6.584 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547095 569463823 /nfs/dbraw/zinc/46/38/23/569463823.db2.gz QQSPUSPRLDGRJD-QHCPKHFHSA-N 0 0 447.560 6.069 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547746 569463839 /nfs/dbraw/zinc/46/38/39/569463839.db2.gz NOLNXJZQVVRVAY-OAQYLSRUSA-N 0 0 437.952 6.406 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038547756 569463845 /nfs/dbraw/zinc/46/38/45/569463845.db2.gz VDJNAEAQLJAEOE-OAQYLSRUSA-N 0 0 437.952 6.406 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)ccn2)c2cccc(F)c2)c1C ZINC000038547584 569463857 /nfs/dbraw/zinc/46/38/57/569463857.db2.gz LODMEEUIFHUEEM-QFIPXVFZSA-N 0 0 435.524 6.254 50 0 IKAARN COc1cccc([C@H](Nc2cccc(C)n2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547551 569463867 /nfs/dbraw/zinc/46/38/67/569463867.db2.gz PJBJTJHRIGWDNH-QHCPKHFHSA-N 0 0 447.560 6.124 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547772 569463871 /nfs/dbraw/zinc/46/38/71/569463871.db2.gz LQEGYBKGADQTCN-QFIPXVFZSA-N 0 0 435.524 6.200 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547744 569463877 /nfs/dbraw/zinc/46/38/77/569463877.db2.gz YWGWPYZPCMAIOW-HSZRJFAPSA-N 0 0 447.560 6.069 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547776 569463885 /nfs/dbraw/zinc/46/38/85/569463885.db2.gz WLSOMEUTLIYMPC-QFIPXVFZSA-N 0 0 435.524 6.200 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)n2)c2ccccc2F)c1C ZINC000038547596 569463893 /nfs/dbraw/zinc/46/38/93/569463893.db2.gz UTUUWCAJVLWJMM-QFIPXVFZSA-N 0 0 435.524 6.254 50 0 IKAARN COc1ccccc1[C@H](Nc1cc(C)ccn1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000038547553 569463907 /nfs/dbraw/zinc/46/39/07/569463907.db2.gz XENHQRXNQVSBMP-QHCPKHFHSA-N 0 0 447.560 6.124 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)ccn2)c2ccc(C)cc2)c1C ZINC000038547628 569463911 /nfs/dbraw/zinc/46/39/11/569463911.db2.gz ZQIJUPIPUMPSHB-HSZRJFAPSA-N 0 0 431.561 6.424 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547784 569463915 /nfs/dbraw/zinc/46/39/15/569463915.db2.gz XQMAQOPGRGEBFT-QFIPXVFZSA-N 0 0 435.524 6.200 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)ccn2)c2ccc(F)cc2)c1C ZINC000038547576 569463921 /nfs/dbraw/zinc/46/39/21/569463921.db2.gz QXMOTJUXHHILCE-QFIPXVFZSA-N 0 0 435.524 6.254 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2nc(C)cc(C)n2)c2ccccc2)c1C ZINC000038548115 569463937 /nfs/dbraw/zinc/46/39/37/569463937.db2.gz HJZQDIXIHFIZAZ-OAQYLSRUSA-N 0 0 432.549 5.819 50 0 IKAARN CCOc1ccc([C@@H](Nc2ccccn2)c2cc(CC)sc2NC(=O)c2ccco2)cc1 ZINC000038547852 569463946 /nfs/dbraw/zinc/46/39/46/569463946.db2.gz FJVFGTJSIOBJKT-HSZRJFAPSA-N 0 0 447.560 6.151 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547983 569463961 /nfs/dbraw/zinc/46/39/61/569463961.db2.gz XQDFQPADZRRILU-HXUWFJFHSA-N 0 0 436.512 5.649 50 0 IKAARN COc1cccc([C@@H](Nc2nc(C)cc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038547959 569463965 /nfs/dbraw/zinc/46/39/65/569463965.db2.gz FERMVTXGCANETP-OAQYLSRUSA-N 0 0 448.548 5.519 50 0 IKAARN CCc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038548184 569463967 /nfs/dbraw/zinc/46/39/67/569463967.db2.gz ONADTKMKZCYEHW-OAQYLSRUSA-N 0 0 432.549 5.764 50 0 IKAARN CCc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038548185 569463972 /nfs/dbraw/zinc/46/39/72/569463972.db2.gz ONADTKMKZCYEHW-NRFANRHFSA-N 0 0 432.549 5.764 50 0 IKAARN CCc1cc([C@@H](Nc2nc(C)cc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038548183 569463986 /nfs/dbraw/zinc/46/39/86/569463986.db2.gz MMTHURAHYARUJI-OAQYLSRUSA-N 0 0 448.617 6.233 50 0 IKAARN CCc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038552463 569464026 /nfs/dbraw/zinc/46/40/26/569464026.db2.gz POVWTLCOXQGVGY-LJQANCHMSA-N 0 0 438.578 5.826 50 0 IKAARN CCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000008407675 569464028 /nfs/dbraw/zinc/46/40/28/569464028.db2.gz YKWNFFFZZVWBGR-MOHJPFBDSA-N 0 0 441.316 6.640 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccccc1)CCCC2)c1ccccc1 ZINC000038550680 569464040 /nfs/dbraw/zinc/46/40/40/569464040.db2.gz XKVKJIIQXVNMKS-VWLOTQADSA-N 0 0 439.584 6.476 50 0 IKAARN CC(=O)N1c2ccccc2CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000008426408 569464136 /nfs/dbraw/zinc/46/41/36/569464136.db2.gz DZCCOVRLUCLVNR-UHFFFAOYSA-N 0 0 442.540 5.424 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2cccc(C(F)(F)F)c2)cc1 ZINC000008427426 569464182 /nfs/dbraw/zinc/46/41/82/569464182.db2.gz OBNXIOQPIVMJTI-JOCHJYFZSA-N 0 0 430.857 6.723 50 0 IKAARN COc1ccc(Nc2nc(N=NCc3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000008427412 569464200 /nfs/dbraw/zinc/46/42/00/569464200.db2.gz WARBDOVXSFRCKG-UHFFFAOYSA-N 0 0 445.914 5.467 50 0 IKAARN COc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000008427438 569464212 /nfs/dbraw/zinc/46/42/12/569464212.db2.gz JPKKTNJEPCHXQP-HSZRJFAPSA-N 0 0 437.337 5.822 50 0 IKAARN CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000008439622 569464346 /nfs/dbraw/zinc/46/43/46/569464346.db2.gz JMCGWFPFLLOWMC-DEOSSOPVSA-N 0 0 439.602 5.264 50 0 IKAARN CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OCC)c2)SC1=Nc1ccccc1 ZINC000008438780 569464356 /nfs/dbraw/zinc/46/43/56/569464356.db2.gz YQYIDYWBMUZUQE-MPVWDOOLSA-N 0 0 438.593 6.134 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000067197134 569464382 /nfs/dbraw/zinc/46/43/82/569464382.db2.gz FJLCOAMSRPOSOM-JTHBVZDNSA-N 0 0 435.321 5.700 50 0 IKAARN Oc1cc(OCc2ccc(Cl)cc2Cl)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000008440369 569464392 /nfs/dbraw/zinc/46/43/92/569464392.db2.gz CYSCTXUXIFMXRX-UHFFFAOYSA-N 0 0 445.733 6.989 50 0 IKAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc(OC)c2)cc1 ZINC000008440663 569464403 /nfs/dbraw/zinc/46/44/03/569464403.db2.gz LGZKMKPVMUNNKE-QFIPXVFZSA-N 0 0 434.458 5.037 50 0 IKAARN CCCCCCc1cc2cc(C(=O)Nc3ccc(Br)cc3)c(=N)oc2cc1O ZINC000008440671 569464408 /nfs/dbraw/zinc/46/44/08/569464408.db2.gz OKCNRXJZAVVMLK-UHFFFAOYSA-N 0 0 443.341 5.755 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)N(c1ccccc1)c1ccccc1 ZINC000008441357 569464475 /nfs/dbraw/zinc/46/44/75/569464475.db2.gz GNWFLRFYSXTEPM-UHFFFAOYSA-N 0 0 431.586 6.027 50 0 IKAARN Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000067206684 569464635 /nfs/dbraw/zinc/46/46/35/569464635.db2.gz SDAMMWKFBOTGAS-UHFFFAOYSA-N 0 0 427.529 5.408 50 0 IKAARN COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)C(F)(F)F)c(N)c32)c1 ZINC000008444793 569464749 /nfs/dbraw/zinc/46/47/49/569464749.db2.gz CDMOZVPZPQPWIK-UHFFFAOYSA-N 0 0 428.435 5.966 50 0 IKAARN Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c1 ZINC000067217035 569464912 /nfs/dbraw/zinc/46/49/12/569464912.db2.gz DMZWAOWSAFMSEF-UHFFFAOYSA-N 0 0 449.601 5.128 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c1C ZINC000067217268 569464913 /nfs/dbraw/zinc/46/49/13/569464913.db2.gz KJPUQUCQZWYELA-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c1 ZINC000067217213 569464939 /nfs/dbraw/zinc/46/49/39/569464939.db2.gz DZIMTNWJIXOCOC-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN COc1ccc([C@@H]2c3cccc(Cl)c3[C@H](c3cccs3)c3cccc(Cl)c32)cc1 ZINC000008453470 569465086 /nfs/dbraw/zinc/46/50/86/569465086.db2.gz JIXMFTAUBAUKBR-RDGATRHJSA-N 0 0 437.391 7.737 50 0 IKAARN Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)Cc3cccc4ccccc43)c2)c1 ZINC000008452509 569465099 /nfs/dbraw/zinc/46/50/99/569465099.db2.gz DLKZDWBRZIROGB-UHFFFAOYSA-N 0 0 429.907 5.630 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)NC3CCCCC3)c2c1 ZINC000008466675 569465336 /nfs/dbraw/zinc/46/53/36/569465336.db2.gz AYWIGDGHOQMYEX-UHFFFAOYSA-N 0 0 436.625 5.132 50 0 IKAARN Cc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237033 569465497 /nfs/dbraw/zinc/46/54/97/569465497.db2.gz GZGNPNFSCMCNLX-UHFFFAOYSA-N 0 0 446.576 5.185 50 0 IKAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000067239214 569465660 /nfs/dbraw/zinc/46/56/60/569465660.db2.gz XUECKUIVQNNZFZ-NSHDSACASA-N 0 0 439.368 5.042 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000038652855 569465728 /nfs/dbraw/zinc/46/57/28/569465728.db2.gz WXERCCKJWYDSHZ-UHFFFAOYSA-N 0 0 428.579 5.257 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nccn2nc(-c3ccc(C)cc3C)cc12 ZINC000038651988 569465748 /nfs/dbraw/zinc/46/57/48/569465748.db2.gz GTMSRCDHYLZPRP-UHFFFAOYSA-N 0 0 440.572 6.577 50 0 IKAARN CCOc1ccc(-c2csc3c2ncn(CCOc2ccccc2)c3=O)cc1OCC ZINC000038654795 569465811 /nfs/dbraw/zinc/46/58/11/569465811.db2.gz YKYFMULNVNFQGE-UHFFFAOYSA-N 0 0 436.533 5.001 50 0 IKAARN COc1ccc(-n2cc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)cc1 ZINC000067245191 569465817 /nfs/dbraw/zinc/46/58/17/569465817.db2.gz UARZSMJBGMGTGY-UHFFFAOYSA-N 0 0 441.512 5.438 50 0 IKAARN COc1ccc(-c2noc(-c3cn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)c(OC)c1 ZINC000067245233 569465828 /nfs/dbraw/zinc/46/58/28/569465828.db2.gz QQYXFAMGUOFUPH-UHFFFAOYSA-N 0 0 439.471 5.033 50 0 IKAARN COc1ccc(-c2noc(-c3cn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1OC ZINC000067245256 569465847 /nfs/dbraw/zinc/46/58/47/569465847.db2.gz UWVMIHXQFONWBG-UHFFFAOYSA-N 0 0 439.471 5.033 50 0 IKAARN CSc1ccc(-c2noc(-c3cn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245269 569465848 /nfs/dbraw/zinc/46/58/48/569465848.db2.gz FWMHQVYMDSQQEO-UHFFFAOYSA-N 0 0 425.513 5.738 50 0 IKAARN CCc1ccc(-n2cc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)cc1 ZINC000067245351 569465882 /nfs/dbraw/zinc/46/58/82/569465882.db2.gz SAYQUQXGWNJPGA-UHFFFAOYSA-N 0 0 439.540 5.992 50 0 IKAARN CCOc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245445 569465898 /nfs/dbraw/zinc/46/58/98/569465898.db2.gz SFBMEOZOYFVPNZ-UHFFFAOYSA-N 0 0 443.890 5.760 50 0 IKAARN CCc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000067245634 569465922 /nfs/dbraw/zinc/46/59/22/569465922.db2.gz VSJSRPWEMXPAOP-UHFFFAOYSA-N 0 0 434.970 5.041 50 0 IKAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccccc2Cl)c1 ZINC000067258643 569466129 /nfs/dbraw/zinc/46/61/29/569466129.db2.gz BRIBRHUHYQCVIP-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1Cl ZINC000067258448 569466133 /nfs/dbraw/zinc/46/61/33/569466133.db2.gz ADUZXOFUJKZVQH-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCc1ccc(C(C)(C)C)cc1 ZINC000067258425 569466166 /nfs/dbraw/zinc/46/61/66/569466166.db2.gz BBRJGPAYHONRCN-UHFFFAOYSA-N 0 0 444.600 6.043 50 0 IKAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2C(F)(F)F)c1 ZINC000067259243 569466183 /nfs/dbraw/zinc/46/61/83/569466183.db2.gz OMGZQYDYUXFESY-UHFFFAOYSA-N 0 0 442.462 5.705 50 0 IKAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)cc2)c1 ZINC000067258967 569466188 /nfs/dbraw/zinc/46/61/88/569466188.db2.gz PUQMZTBOGILWRS-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN CN(C)c1ccc(-n2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000067259089 569466192 /nfs/dbraw/zinc/46/61/92/569466192.db2.gz DCLXVMAGFFZTST-UHFFFAOYSA-N 0 0 439.943 5.537 50 0 IKAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2ccccc2Cl)c1 ZINC000067258963 569466206 /nfs/dbraw/zinc/46/62/06/569466206.db2.gz BAGFHPLHLDNMAT-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(C)c(C)c2)c(OC)c1 ZINC000067258887 569466220 /nfs/dbraw/zinc/46/62/20/569466220.db2.gz OLUVDVWOUGNYRV-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)c1 ZINC000067258796 569466223 /nfs/dbraw/zinc/46/62/23/569466223.db2.gz PFDDFBFASMNSAL-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 ZINC000067259391 569466250 /nfs/dbraw/zinc/46/62/50/569466250.db2.gz KCRVTOJMIUBLKZ-UHFFFAOYSA-N 0 0 430.529 5.083 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3cccc(C)c3)c(=O)c12 ZINC000067260272 569466280 /nfs/dbraw/zinc/46/62/80/569466280.db2.gz SCSAXCRAFCKUSF-UHFFFAOYSA-N 0 0 428.517 5.149 50 0 IKAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(C)c(C)c3)c(=O)c12 ZINC000067260378 569466337 /nfs/dbraw/zinc/46/63/37/569466337.db2.gz KJGGAPPNOWRHNH-UHFFFAOYSA-N 0 0 434.546 5.210 50 0 IKAARN C=Cc1ccc(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)cc1 ZINC000067260381 569466340 /nfs/dbraw/zinc/46/63/40/569466340.db2.gz GVDGOYIICHTLFK-UHFFFAOYSA-N 0 0 432.530 5.236 50 0 IKAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(Cc3cccc(C)c3)c(=O)c12 ZINC000067260421 569466370 /nfs/dbraw/zinc/46/63/70/569466370.db2.gz UMXHDTNSQHDUSK-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN COc1ccc(OC)c(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c1 ZINC000067261467 569466520 /nfs/dbraw/zinc/46/65/20/569466520.db2.gz CFSSZUXVNMEYNM-UHFFFAOYSA-N 0 0 445.910 5.227 50 0 IKAARN CCOc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261462 569466526 /nfs/dbraw/zinc/46/65/26/569466526.db2.gz XPNJJYZFGRLDSQ-UHFFFAOYSA-N 0 0 429.911 5.609 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Oc2ccc(C)nn2)cc1 ZINC000038670817 569466566 /nfs/dbraw/zinc/46/65/66/569466566.db2.gz ZBSOPWLMAXJMQO-UHFFFAOYSA-N 0 0 434.883 5.471 50 0 IKAARN CCOc1cc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)ccc1OC ZINC000067288547 569467489 /nfs/dbraw/zinc/46/74/89/569467489.db2.gz SRSUBNYWQFXYCT-UHFFFAOYSA-N 0 0 437.515 5.019 50 0 IKAARN CCN(C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12)c1cccc(C)c1 ZINC000067289718 569467504 /nfs/dbraw/zinc/46/75/04/569467504.db2.gz PJEIAOGHCDOIML-UHFFFAOYSA-N 0 0 430.577 5.467 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)N(C)c4cccc(Cl)c4)nccn3n2)cc1C ZINC000067289996 569467526 /nfs/dbraw/zinc/46/75/26/569467526.db2.gz FALBXJLWQJPLQN-UHFFFAOYSA-N 0 0 436.968 5.422 50 0 IKAARN CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000067289861 569467527 /nfs/dbraw/zinc/46/75/27/569467527.db2.gz DMYGBNNDJAGSMC-UHFFFAOYSA-N 0 0 434.590 5.466 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1 ZINC000067290385 569467557 /nfs/dbraw/zinc/46/75/57/569467557.db2.gz ZFAXKPDOFSCXRL-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)N(CC)c4cccc(C)c4)nccn3n2)cc1 ZINC000067290303 569467583 /nfs/dbraw/zinc/46/75/83/569467583.db2.gz YNZCPPWJNOGZQM-UHFFFAOYSA-N 0 0 446.576 5.249 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1F ZINC000067292977 569467759 /nfs/dbraw/zinc/46/77/59/569467759.db2.gz CWMKXFZFJPDJKI-MRTYKACHSA-N 0 0 435.282 5.020 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c(Cl)c1 ZINC000067293061 569467801 /nfs/dbraw/zinc/46/78/01/569467801.db2.gz CSQUTTMSIDKPBK-DAAIQYDRSA-N 0 0 431.319 5.189 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C(F)(F)F)c3)oc21 ZINC000067293581 569467805 /nfs/dbraw/zinc/46/78/05/569467805.db2.gz GUJOKAPPDDAOIG-SLMZUGIISA-N 0 0 439.393 5.340 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000067293068 569467827 /nfs/dbraw/zinc/46/78/27/569467827.db2.gz PVBHRJXYCNWKAL-LYYOGKFUSA-N 0 0 431.319 5.189 50 0 IKAARN CCc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 ZINC000067294988 569467892 /nfs/dbraw/zinc/46/78/92/569467892.db2.gz TWVKYXQQLITSFW-RWEWTDSWSA-N 0 0 448.320 5.637 50 0 IKAARN COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000067294500 569467907 /nfs/dbraw/zinc/46/79/07/569467907.db2.gz BDVHIKCZEJIZKE-VYIQYICTSA-N 0 0 432.863 5.358 50 0 IKAARN COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc(OC)c1 ZINC000067294876 569467909 /nfs/dbraw/zinc/46/79/09/569467909.db2.gz IWFILPWRVLNZTQ-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(Cl)ccc1F ZINC000067294630 569467911 /nfs/dbraw/zinc/46/79/11/569467911.db2.gz FTWRNOKTNSICJT-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c(OC)c1 ZINC000067294899 569467923 /nfs/dbraw/zinc/46/79/23/569467923.db2.gz UVWCYEALBPHVGT-GFMRDNFCSA-N 0 0 441.896 5.045 50 0 IKAARN CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 ZINC000067294913 569467929 /nfs/dbraw/zinc/46/79/29/569467929.db2.gz OJRAYBRBZLOSQJ-GFMRDNFCSA-N 0 0 425.897 5.426 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067294544 569467937 /nfs/dbraw/zinc/46/79/37/569467937.db2.gz UECALKPTANIPOP-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1F ZINC000067294549 569467939 /nfs/dbraw/zinc/46/79/39/569467939.db2.gz OWNSDSMTFSTJFZ-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000067294613 569467942 /nfs/dbraw/zinc/46/79/42/569467942.db2.gz TWCDYJQDPYWCMZ-VYIQYICTSA-N 0 0 439.298 6.233 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)c(C)c3)oc21 ZINC000067295820 569467969 /nfs/dbraw/zinc/46/79/69/569467969.db2.gz QPXKUSYRTWUAPK-PNHLSOANSA-N 0 0 433.895 5.591 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(Cl)ccc3F)oc21 ZINC000067295829 569467970 /nfs/dbraw/zinc/46/79/70/569467970.db2.gz FCTHIDWDOICHNX-VYIQYICTSA-N 0 0 437.858 5.422 50 0 IKAARN O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 ZINC000067295291 569467973 /nfs/dbraw/zinc/46/79/73/569467973.db2.gz HHEJNWQTLWQKCD-NKFKGCMQSA-N 0 0 444.285 5.276 50 0 IKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000067297302 569467999 /nfs/dbraw/zinc/46/79/99/569467999.db2.gz JLISWQQLXAJJSA-RFBIWTDZSA-N 0 0 432.907 6.196 50 0 IKAARN COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000067297180 569468001 /nfs/dbraw/zinc/46/80/01/569468001.db2.gz GHNNDRBBVYBJIN-RFBIWTDZSA-N 0 0 426.472 5.321 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 ZINC000067296959 569468010 /nfs/dbraw/zinc/46/80/10/569468010.db2.gz LSJAMYXUCAKBPN-RFBIWTDZSA-N 0 0 426.472 5.403 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(OC(F)(F)F)c2)nc1 ZINC000067296584 569468017 /nfs/dbraw/zinc/46/80/17/569468017.db2.gz FTLJKBPGABEDTN-SLMZUGIISA-N 0 0 439.393 5.520 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)cc3Cl)oc21 ZINC000067295963 569468032 /nfs/dbraw/zinc/46/80/32/569468032.db2.gz JTQOPSYUZMMTAY-GFMRDNFCSA-N 0 0 425.897 5.344 50 0 IKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000067297136 569468034 /nfs/dbraw/zinc/46/80/34/569468034.db2.gz UYYISTKEDNZWLS-RQZHXJHFSA-N 0 0 428.488 5.552 50 0 IKAARN COc1ccc(-c2csc(Nc3ccc(Br)cc3Br)n2)cc1 ZINC000067321979 569468620 /nfs/dbraw/zinc/46/86/20/569468620.db2.gz IYMPWRNHVQJGOW-UHFFFAOYSA-N 0 0 440.160 6.087 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)sc2c1CC[C@@H](C)C2 ZINC000067339871 569469001 /nfs/dbraw/zinc/46/90/01/569469001.db2.gz DTHMZXKZKWWGKU-DNGMOHDESA-N 0 0 439.533 5.456 50 0 IKAARN CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc5ncsc5c4)cc3)nn2)CC1 ZINC000038788327 569469140 /nfs/dbraw/zinc/46/91/40/569469140.db2.gz ZAJXLWMJZWJYNM-UHFFFAOYSA-N 0 0 429.549 5.242 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2ccc(C)cc32)cc1 ZINC000008605903 569469358 /nfs/dbraw/zinc/46/93/58/569469358.db2.gz YFPCAFIBHOGQRA-UHFFFAOYSA-N 0 0 428.536 5.017 50 0 IKAARN CCn1c(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 ZINC000008620649 569469365 /nfs/dbraw/zinc/46/93/65/569469365.db2.gz HJJKWXNGBKTKJU-KRWDZBQOSA-N 0 0 432.549 5.195 50 0 IKAARN O=C(NCC1(c2cccs2)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038940135 569469600 /nfs/dbraw/zinc/46/96/00/569469600.db2.gz PXJWVTJODGBYJO-UHFFFAOYSA-N 0 0 437.405 5.264 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000038944797 569469604 /nfs/dbraw/zinc/46/96/04/569469604.db2.gz HZTUYRJERBMRTF-UHFFFAOYSA-N 0 0 445.466 5.609 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008656879 569469675 /nfs/dbraw/zinc/46/96/75/569469675.db2.gz GUSMJHVUBAWQCZ-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 ZINC000008657344 569469763 /nfs/dbraw/zinc/46/97/63/569469763.db2.gz WNLOVFKNUZDYTH-NRFANRHFSA-N 0 0 425.532 5.231 50 0 IKAARN O=c1/c(=C/c2cccc(OCc3cccc4ccccc43)c2)sc2nc3ccccc3n12 ZINC000008694916 569470143 /nfs/dbraw/zinc/47/01/43/569470143.db2.gz MXOTWQKNPFGXII-XYGWBWBKSA-N 0 0 434.520 5.189 50 0 IKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(CN2CCCC2=O)cc1 ZINC000008703966 569470179 /nfs/dbraw/zinc/47/01/79/569470179.db2.gz SXCRRDRIGRKSEW-UHFFFAOYSA-N 0 0 427.529 5.338 50 0 IKAARN CCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3c2cnn3C(C)C)cc1 ZINC000008704045 569470258 /nfs/dbraw/zinc/47/02/58/569470258.db2.gz XNRKYKUNMUOEAO-UHFFFAOYSA-N 0 0 435.549 5.148 50 0 IKAARN COc1cc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c(OC)cc1Br ZINC000008705146 569470346 /nfs/dbraw/zinc/47/03/46/569470346.db2.gz PGRTWLREFWVIGN-UHFFFAOYSA-N 0 0 446.326 5.290 50 0 IKAARN C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)NCC1CCCCC1 ZINC000008705438 569470402 /nfs/dbraw/zinc/47/04/02/569470402.db2.gz XYGPJSNWGMTVBN-GFCCVEGCSA-N 0 0 436.002 5.782 50 0 IKAARN Cc1nc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)[nH]c1Cc1ccccc1 ZINC000008706434 569470502 /nfs/dbraw/zinc/47/05/02/569470502.db2.gz HOFJGBNOXAKTHQ-HXUWFJFHSA-N 0 0 448.617 5.374 50 0 IKAARN CC(=O)N(c1nc(CSc2nccn2-c2ccc(C)cc2C)cs1)c1cccc(C)c1 ZINC000008707249 569470537 /nfs/dbraw/zinc/47/05/37/569470537.db2.gz RWVMRNFRNMVSCB-UHFFFAOYSA-N 0 0 448.617 6.231 50 0 IKAARN COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)cc1 ZINC000008706836 569470575 /nfs/dbraw/zinc/47/05/75/569470575.db2.gz BHJMLRXGZGUPLC-AWEZNQCLSA-N 0 0 445.346 6.117 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 ZINC000008709242 569470720 /nfs/dbraw/zinc/47/07/20/569470720.db2.gz NARYCEMMBIIRGW-UHFFFAOYSA-N 0 0 447.560 5.788 50 0 IKAARN c1csc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cs2)c1 ZINC000008709743 569470770 /nfs/dbraw/zinc/47/07/70/569470770.db2.gz IXJQYSWSNDURPR-AWEZNQCLSA-N 0 0 446.648 5.663 50 0 IKAARN Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccnc2)c(C)c1 ZINC000008710873 569471022 /nfs/dbraw/zinc/47/10/22/569471022.db2.gz QNAKUNATYJRKCS-UHFFFAOYSA-N 0 0 447.542 5.719 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)c3cccnc3SCc3cc(C)on3)n2)cc1 ZINC000008719618 569471463 /nfs/dbraw/zinc/47/14/63/569471463.db2.gz PPXRHAPWBLIVFS-UHFFFAOYSA-N 0 0 436.562 5.609 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccccc2Cl)cc1 ZINC000008720661 569471643 /nfs/dbraw/zinc/47/16/43/569471643.db2.gz BOIZDAZUVJPFHM-UHFFFAOYSA-N 0 0 438.940 5.290 50 0 IKAARN COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C ZINC000008722092 569471729 /nfs/dbraw/zinc/47/17/29/569471729.db2.gz QEKANXFTDOFSFP-GCNWNYGFSA-N 0 0 434.605 6.674 50 0 IKAARN O=C1N[C@@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000008722390 569471852 /nfs/dbraw/zinc/47/18/52/569471852.db2.gz PNOSBHMWSPWLBJ-HXUWFJFHSA-N 0 0 444.387 5.467 50 0 IKAARN O=C1N[C@@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000008722577 569471856 /nfs/dbraw/zinc/47/18/56/569471856.db2.gz NUTNAYUGESEVSS-XMMPIXPASA-N 0 0 425.557 5.314 50 0 IKAARN O=C(Nc1ccccc1SCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008723573 569471862 /nfs/dbraw/zinc/47/18/62/569471862.db2.gz KEZLZZVUJJOSMV-OAQYLSRUSA-N 0 0 445.588 5.862 50 0 IKAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1CC(C)C)c1ccccc1 ZINC000008724670 569472002 /nfs/dbraw/zinc/47/20/02/569472002.db2.gz CMDWIZKJFDVPMC-NRFANRHFSA-N 0 0 440.588 5.442 50 0 IKAARN CC(=O)N(c1nc(CSc2nccn2-c2cccc(F)c2)cs1)c1cccc(C)c1 ZINC000008725162 569472049 /nfs/dbraw/zinc/47/20/49/569472049.db2.gz HWDAFYYTCFNFAG-UHFFFAOYSA-N 0 0 438.553 5.753 50 0 IKAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000008727891 569472329 /nfs/dbraw/zinc/47/23/29/569472329.db2.gz IGHHOCBJPFBAJF-VGOFRKELSA-N 0 0 432.593 5.555 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)sc2C)cc1 ZINC000008728242 569472411 /nfs/dbraw/zinc/47/24/11/569472411.db2.gz JUCQLZNBBHQROL-SFHVURJKSA-N 0 0 440.590 5.651 50 0 IKAARN CN(CCOC(c1ccccc1)c1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000008729110 569472464 /nfs/dbraw/zinc/47/24/64/569472464.db2.gz OHWBVPIRNZIYNC-UHFFFAOYSA-N 0 0 442.481 5.382 50 0 IKAARN O=c1[nH]nc(CNc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)c2ccccc12 ZINC000008733494 569472479 /nfs/dbraw/zinc/47/24/79/569472479.db2.gz YWUCZGYCZNLMON-UHFFFAOYSA-N 0 0 446.816 5.395 50 0 IKAARN COc1cc(C(=O)N(C)Cc2cccs2)cc(Br)c1OCc1ccccc1 ZINC000008729178 569472495 /nfs/dbraw/zinc/47/24/95/569472495.db2.gz VVQWPDQMVSTHBU-UHFFFAOYSA-N 0 0 446.366 5.370 50 0 IKAARN FC(F)(F)c1cccc(-c2cc3ccccc3nc2Oc2ccc(Cl)cc2Cl)c1 ZINC000008733573 569472515 /nfs/dbraw/zinc/47/25/15/569472515.db2.gz UPLYEFBIBIUVFR-UHFFFAOYSA-N 0 0 434.244 8.020 50 0 IKAARN 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 ZINC000008738718 569472698 /nfs/dbraw/zinc/47/26/98/569472698.db2.gz NKJYZYWCGKSMSV-WBVNWZSOSA-N 0 0 442.640 6.360 50 0 IKAARN COc1ccc(CN(CC[C@@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 ZINC000008738754 569472716 /nfs/dbraw/zinc/47/27/16/569472716.db2.gz WWCBCYJNXBONTI-KAYWLYCHSA-N 0 0 439.596 5.215 50 0 biogenic IKAARN CCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 ZINC000008739443 569472808 /nfs/dbraw/zinc/47/28/08/569472808.db2.gz AGFFUPHVCSAVMO-NKFKGCMQSA-N 0 0 438.552 5.427 50 0 IKAARN CCCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000008742440 569473032 /nfs/dbraw/zinc/47/30/32/569473032.db2.gz KGDQUXCNFWNAFW-SQHAQQRYSA-N 0 0 443.591 5.166 50 0 IKAARN Cc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1ccnn1C(C)C ZINC000008747612 569473131 /nfs/dbraw/zinc/47/31/31/569473131.db2.gz RRBJJWNTWAOPOC-XMMPIXPASA-N 0 0 429.524 5.231 50 0 IKAARN COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1OC ZINC000008748228 569473177 /nfs/dbraw/zinc/47/31/77/569473177.db2.gz CQGVELIAUGUEDO-UHFFFAOYSA-N 0 0 446.528 5.801 50 0 IKAARN C[C@@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000008749848 569473364 /nfs/dbraw/zinc/47/33/64/569473364.db2.gz PHMCJPPPGLNKGP-RDTXWAMCSA-N 0 0 444.398 5.073 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCc1cccc(Cl)c1 ZINC000008750177 569473375 /nfs/dbraw/zinc/47/33/75/569473375.db2.gz TYJIZKUCCGWQEJ-UHFFFAOYSA-N 0 0 430.961 5.105 50 0 IKAARN C[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc(F)cc1 ZINC000008751240 569473386 /nfs/dbraw/zinc/47/33/86/569473386.db2.gz WXRRCJCCFHBSIF-CVEARBPZSA-N 0 0 439.556 5.009 50 0 IKAARN Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccco4)c(C)c3cc2c1-c1ccccc1 ZINC000008752002 569473495 /nfs/dbraw/zinc/47/34/95/569473495.db2.gz FBHNFZYORNBHLC-UHFFFAOYSA-N 0 0 427.456 5.275 50 0 biogenic IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000008752445 569473502 /nfs/dbraw/zinc/47/35/02/569473502.db2.gz GYCKDLZYBMAMND-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 ZINC000008752392 569473543 /nfs/dbraw/zinc/47/35/43/569473543.db2.gz FCYXYJZECUYNRI-QGZVFWFLSA-N 0 0 433.914 5.706 50 0 IKAARN Cc1ccc(C(C)C)c(OCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1 ZINC000008752595 569473556 /nfs/dbraw/zinc/47/35/56/569473556.db2.gz XKELFYBNQDTHPX-UHFFFAOYSA-N 0 0 431.536 5.113 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000008752450 569473569 /nfs/dbraw/zinc/47/35/69/569473569.db2.gz KXTLPTYOKACYIZ-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000008752462 569473577 /nfs/dbraw/zinc/47/35/77/569473577.db2.gz ZIFFVNGNSOSDAE-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 ZINC000008752736 569473587 /nfs/dbraw/zinc/47/35/87/569473587.db2.gz IFBAXSATOWTKLP-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1C ZINC000008753084 569473611 /nfs/dbraw/zinc/47/36/11/569473611.db2.gz QXJDZPJQPVLJFD-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000008752980 569473616 /nfs/dbraw/zinc/47/36/16/569473616.db2.gz WKIMUGFQNSURFU-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CSc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008753117 569473629 /nfs/dbraw/zinc/47/36/29/569473629.db2.gz GBRXORVSARAYTI-SFHVURJKSA-N 0 0 431.536 5.466 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1C ZINC000008752844 569473637 /nfs/dbraw/zinc/47/36/37/569473637.db2.gz KIFHXFKJPDMRJC-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN CSc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000008753122 569473691 /nfs/dbraw/zinc/47/36/91/569473691.db2.gz AOZDDYKRYMLZLB-SFHVURJKSA-N 0 0 431.536 5.466 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1Cc1ccccc1 ZINC000008753375 569473698 /nfs/dbraw/zinc/47/36/98/569473698.db2.gz NZEXWUPKCCWVNF-QHCPKHFHSA-N 0 0 439.559 5.412 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000008753799 569473724 /nfs/dbraw/zinc/47/37/24/569473724.db2.gz YSSXNPZUWIKXCE-UHFFFAOYSA-N 0 0 437.503 5.760 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000008754704 569473839 /nfs/dbraw/zinc/47/38/39/569473839.db2.gz CCQWPQBLIKHMPH-HSZRJFAPSA-N 0 0 439.559 5.194 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000008754855 569473849 /nfs/dbraw/zinc/47/38/49/569473849.db2.gz NKCCOWTZNZCYLE-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000008755197 569473891 /nfs/dbraw/zinc/47/38/91/569473891.db2.gz WLEUCRMMPSYVPP-HXUWFJFHSA-N 0 0 429.951 5.821 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000008755023 569473898 /nfs/dbraw/zinc/47/38/98/569473898.db2.gz ISULESJUMJIDKI-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O ZINC000008755239 569473938 /nfs/dbraw/zinc/47/39/38/569473938.db2.gz FVPSYZYUGNWPDO-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008755749 569473987 /nfs/dbraw/zinc/47/39/87/569473987.db2.gz IVVUALNNQBCQEA-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O ZINC000008755693 569473992 /nfs/dbraw/zinc/47/39/92/569473992.db2.gz SUVGCFZKVOQFLH-IBGZPJMESA-N 0 0 445.950 5.576 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000008755764 569473996 /nfs/dbraw/zinc/47/39/96/569473996.db2.gz PDJBWOXOTCQDAY-HXUWFJFHSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008755753 569474015 /nfs/dbraw/zinc/47/40/15/569474015.db2.gz IVVUALNNQBCQEA-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccc(Cl)cc1 ZINC000008755978 569474040 /nfs/dbraw/zinc/47/40/40/569474040.db2.gz DTDVUQMOJYGVJX-LJQANCHMSA-N 0 0 445.950 5.679 50 0 IKAARN c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000008756646 569474071 /nfs/dbraw/zinc/47/40/71/569474071.db2.gz RDHLDTFYNAMSDX-QFIPXVFZSA-N 0 0 427.467 5.625 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008756171 569474072 /nfs/dbraw/zinc/47/40/72/569474072.db2.gz NYBKMCFCZHOKEM-IBGZPJMESA-N 0 0 429.495 5.083 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756239 569474074 /nfs/dbraw/zinc/47/40/74/569474074.db2.gz ZYYDXVNKFJZRAW-FQEVSTJZSA-N 0 0 443.522 5.473 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccco1 ZINC000008756395 569474096 /nfs/dbraw/zinc/47/40/96/569474096.db2.gz ZBDVVVWLKRFDPH-UHFFFAOYSA-N 0 0 437.927 5.114 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000008758307 569474156 /nfs/dbraw/zinc/47/41/56/569474156.db2.gz WXXBQLAHEYOXNH-IBGZPJMESA-N 0 0 429.495 5.083 50 0 IKAARN CSc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000008758196 569474164 /nfs/dbraw/zinc/47/41/64/569474164.db2.gz CPGIKWLVWPCZCN-LJQANCHMSA-N 0 0 443.572 5.358 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008758277 569474165 /nfs/dbraw/zinc/47/41/65/569474165.db2.gz PZTFLEYFNXELGS-LJQANCHMSA-N 0 0 429.495 5.083 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 ZINC000008758461 569474175 /nfs/dbraw/zinc/47/41/75/569474175.db2.gz TUNUXWJDPGIPJE-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1F ZINC000008758359 569474197 /nfs/dbraw/zinc/47/41/97/569474197.db2.gz ZFIFKZSAQMQWLY-IBGZPJMESA-N 0 0 429.495 5.165 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008758391 569474204 /nfs/dbraw/zinc/47/42/04/569474204.db2.gz MMFOYVRYYQURAN-QHCPKHFHSA-N 0 0 439.559 5.248 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008759642 569474222 /nfs/dbraw/zinc/47/42/22/569474222.db2.gz OVTDBRDJLZAYPV-HXUWFJFHSA-N 0 0 443.522 5.473 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc(F)cc1 ZINC000008759612 569474259 /nfs/dbraw/zinc/47/42/59/569474259.db2.gz CWDFKMJUZMJNBO-KRWDZBQOSA-N 0 0 449.913 5.428 50 0 IKAARN CSc1cc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(Br)cc2)s1 ZINC000008762402 569474267 /nfs/dbraw/zinc/47/42/67/569474267.db2.gz RVMQKXWAPDSNFZ-UHFFFAOYSA-N 0 0 438.799 6.805 50 0 IKAARN O=[S@@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000008762855 569474343 /nfs/dbraw/zinc/47/43/43/569474343.db2.gz YFLWLELMDYZTCE-GDLZYMKVSA-N 0 0 436.989 6.256 50 0 IKAARN CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000008762671 569474355 /nfs/dbraw/zinc/47/43/55/569474355.db2.gz TUHMQGIZQOMMHO-XAYXJRQQSA-N 0 0 429.516 6.370 50 0 biogenic IKAARN O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 ZINC000008762918 569474363 /nfs/dbraw/zinc/47/43/63/569474363.db2.gz OBAGNNBAECBFCB-UHFFFAOYSA-N 0 0 431.948 5.878 50 0 IKAARN CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c21 ZINC000008762542 569474376 /nfs/dbraw/zinc/47/43/76/569474376.db2.gz NIGPNYPMELFVPR-BYNJWEBRSA-N 0 0 443.543 6.679 50 0 biogenic IKAARN O=C([N-]P(=O)(Oc1ccccc1)Oc1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000008763191 569474403 /nfs/dbraw/zinc/47/44/03/569474403.db2.gz NOMABACPSDSLOC-SIKLNZKXSA-N 0 0 444.468 5.243 50 0 biogenic IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000008763594 569474408 /nfs/dbraw/zinc/47/44/08/569474408.db2.gz WFMOGQHPUBZYPQ-RPLLCQBOSA-N 0 0 428.532 6.070 50 0 IKAARN Nc1c(C(=O)c2cccs2)sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c12 ZINC000008763984 569474474 /nfs/dbraw/zinc/47/44/74/569474474.db2.gz RYHGSOWARPVRQK-UHFFFAOYSA-N 0 0 436.558 6.706 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(CSc3nnc4c5ccccc5[nH]c4n3)cc2)c1 ZINC000008763692 569474491 /nfs/dbraw/zinc/47/44/91/569474491.db2.gz DVQRHINEEPRJDZ-UHFFFAOYSA-N 0 0 425.517 5.359 50 0 IKAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 ZINC000008765208 569474758 /nfs/dbraw/zinc/47/47/58/569474758.db2.gz YCRHJSMMXCBOEV-MRXNPFEDSA-N 0 0 442.515 5.317 50 0 biogenic IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)cc1)cc2Cl ZINC000008765706 569474800 /nfs/dbraw/zinc/47/48/00/569474800.db2.gz BCSLXOWOKHCADM-UHFFFAOYSA-N 0 0 428.293 5.026 50 0 IKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000008767187 569474858 /nfs/dbraw/zinc/47/48/58/569474858.db2.gz IDMQOPRBVCLZND-UHFFFAOYSA-N 0 0 430.426 5.700 50 0 IKAARN COc1cccc2c(NC(=O)c3ccccc3OC)c(C(=O)c3ccc(Cl)cc3)oc21 ZINC000008769052 569474977 /nfs/dbraw/zinc/47/49/77/569474977.db2.gz CHUJWRQIFGYRNG-UHFFFAOYSA-N 0 0 435.863 5.587 50 0 IKAARN CC(C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@@H](C)CC3 ZINC000008768544 569474993 /nfs/dbraw/zinc/47/49/93/569474993.db2.gz ZASUWYAAGASVHQ-LBPRGKRZSA-N 0 0 445.013 5.374 50 0 IKAARN Oc1cccc(-c2csc(N3N=C(c4ccc(Cl)cc4)C[C@@]3(O)C(F)(F)F)n2)c1 ZINC000008770019 569475107 /nfs/dbraw/zinc/47/51/07/569475107.db2.gz PNCZKIQMJGIGGG-GOSISDBHSA-N 0 0 439.846 5.034 50 0 IKAARN Clc1ccc(-c2cn3nc(N4CCN(c5cccc(Cl)c5)CC4)sc3n2)cc1 ZINC000008770098 569475114 /nfs/dbraw/zinc/47/51/14/569475114.db2.gz WCLWRHGAACPECK-UHFFFAOYSA-N 0 0 430.364 5.091 50 0 IKAARN O=C(C[C@@H](Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1)c1ccc(Cl)cc1 ZINC000008773286 569475291 /nfs/dbraw/zinc/47/52/91/569475291.db2.gz OIJFWJJREGHXNP-AREMUKBSSA-N 0 0 437.926 6.978 50 0 IKAARN C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)c1ccccc1 ZINC000008777266 569475399 /nfs/dbraw/zinc/47/53/99/569475399.db2.gz IXSHXMLFFQXTMJ-OAHLLOKOSA-N 0 0 441.984 5.135 50 0 IKAARN CCCOc1ccc(Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000008779005 569475520 /nfs/dbraw/zinc/47/55/20/569475520.db2.gz ZXLVROLFGVZHJW-UHFFFAOYSA-N 0 0 441.358 6.759 50 0 IKAARN c1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc3c(c2)sc2ccccc23)[nH]1 ZINC000008781383 569475633 /nfs/dbraw/zinc/47/56/33/569475633.db2.gz PZEKECFNOGPROL-UHFFFAOYSA-N 0 0 441.559 8.260 50 0 IKAARN COc1ccc(N(Cc2ccccc2)C(=O)CSc2ccc(Br)cc2)cc1 ZINC000008781554 569475639 /nfs/dbraw/zinc/47/56/39/569475639.db2.gz ZTXUXTGEKCFRNS-UHFFFAOYSA-N 0 0 442.378 5.783 50 0 IKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000008781676 569475682 /nfs/dbraw/zinc/47/56/82/569475682.db2.gz YWRZQJFRLSVZPJ-UHFFFAOYSA-N 0 0 439.129 6.054 50 0 IKAARN Clc1ccc(Cc2c3ccccc3n(Cc3ccc(Cl)nc3)c2-c2ccccc2)cn1 ZINC000008781858 569475683 /nfs/dbraw/zinc/47/56/83/569475683.db2.gz NCPBCSMBFODPBC-UHFFFAOYSA-N 0 0 444.365 7.044 50 0 IKAARN Cc1nc2c(Br)cc(Br)cc2cc1OCc1ccc(Cl)cc1 ZINC000008781847 569475686 /nfs/dbraw/zinc/47/56/86/569475686.db2.gz QWQRMYXOYLDPGW-UHFFFAOYSA-N 0 0 441.550 6.301 50 0 IKAARN Fc1cccc(Cl)c1COc1ccc(-c2ccn(Cc3cccc(Cl)c3)n2)cc1 ZINC000008782085 569475739 /nfs/dbraw/zinc/47/57/39/569475739.db2.gz VZQGXYYQHUHECD-UHFFFAOYSA-N 0 0 427.306 6.623 50 0 IKAARN CCOc1ccc(Br)cc1CNc1ccc(I)cc1 ZINC000008782264 569475833 /nfs/dbraw/zinc/47/58/33/569475833.db2.gz GCXLBEXFRRZIQF-UHFFFAOYSA-N 0 0 432.099 5.065 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 ZINC000008782996 569475837 /nfs/dbraw/zinc/47/58/37/569475837.db2.gz WMYKYLFYYZWOEK-INIZCTEOSA-N 0 0 429.358 5.149 50 0 IKAARN CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)C1 ZINC000008783314 569475859 /nfs/dbraw/zinc/47/58/59/569475859.db2.gz ATZFDDWHFVQWFV-RLACGHOJSA-N 0 0 441.571 5.606 50 0 IKAARN Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1C ZINC000008788505 569475890 /nfs/dbraw/zinc/47/58/90/569475890.db2.gz ZXNWDTKDXYQRNP-UHFFFAOYSA-N 0 0 439.993 6.359 50 0 IKAARN CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC ZINC000008789465 569475921 /nfs/dbraw/zinc/47/59/21/569475921.db2.gz AMLCWOLXQKHUPA-LLHNEZGQSA-N 0 0 448.607 5.600 50 0 biogenic IKAARN CCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000008789731 569475936 /nfs/dbraw/zinc/47/59/36/569475936.db2.gz MJLBZDDHZPUNCU-HSBSSIIGSA-N 0 0 434.580 5.210 50 0 biogenic IKAARN COc1cccc(NC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccc4c(c3)OCO4)n2)c1 ZINC000008790964 569476135 /nfs/dbraw/zinc/47/61/35/569476135.db2.gz GJNUUTCYCDDUJA-UHFFFAOYSA-N 0 0 437.455 5.373 50 0 biogenic IKAARN COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC ZINC000008791417 569476190 /nfs/dbraw/zinc/47/61/90/569476190.db2.gz MCSNDANVIOXWID-UHFFFAOYSA-N 0 0 435.476 5.053 50 0 biogenic IKAARN Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(N5CCC(C)CC5)cc4)c(C)c3cc12 ZINC000008792245 569476337 /nfs/dbraw/zinc/47/63/37/569476337.db2.gz YPSKWDHSTXFMPM-UHFFFAOYSA-N 0 0 444.531 5.574 50 0 biogenic IKAARN O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 ZINC000008793735 569476373 /nfs/dbraw/zinc/47/63/73/569476373.db2.gz RVDRELOAIKWOON-UHFFFAOYSA-N 0 0 445.519 5.732 50 0 IKAARN CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 ZINC000008798571 569476411 /nfs/dbraw/zinc/47/64/11/569476411.db2.gz JYIWNOWFQQNUMD-DHLKQENFSA-N 0 0 429.907 5.251 50 0 IKAARN Clc1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c(Cl)c1 ZINC000008809642 569476548 /nfs/dbraw/zinc/47/65/48/569476548.db2.gz BMBXGDGGCZYGDY-RUZDIDTESA-N 0 0 432.350 7.426 50 0 IKAARN CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1 ZINC000008811171 569476603 /nfs/dbraw/zinc/47/66/03/569476603.db2.gz CKWMAKHJETVAFL-UHFFFAOYSA-N 0 0 448.629 5.348 50 0 IKAARN CCC1=Nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccc(C)cc21 ZINC000008813157 569476674 /nfs/dbraw/zinc/47/66/74/569476674.db2.gz JEQSPZITWMBYSV-UHFFFAOYSA-N 0 0 434.992 6.616 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000008817071 569476861 /nfs/dbraw/zinc/47/68/61/569476861.db2.gz QHUCHETWCXZLTG-XTEPFMGCSA-N 0 0 442.559 6.507 50 0 IKAARN c1ccc(C2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccc5ccccc54)=NN23)cc1 ZINC000008816759 569476865 /nfs/dbraw/zinc/47/68/65/569476865.db2.gz VEBWUHUSJBKXKB-RBYQJDNSSA-N 0 0 444.578 7.437 50 0 IKAARN CCc1ccc(Cc2cnc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)s2)cc1 ZINC000008819041 569476999 /nfs/dbraw/zinc/47/69/99/569476999.db2.gz MBPHWLSYOQVEPR-UHFFFAOYSA-N 0 0 439.540 6.357 50 0 IKAARN CCCCN(CC)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000008818305 569477017 /nfs/dbraw/zinc/47/70/17/569477017.db2.gz NTSGMYRKUTUCGD-UHFFFAOYSA-N 0 0 436.581 5.977 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(C)c(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)cc1 ZINC000008824068 569477171 /nfs/dbraw/zinc/47/71/71/569477171.db2.gz NDCWMKPUJPPJEN-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 IKAARN CC(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc32)n1CCC(C)C ZINC000008825825 569477436 /nfs/dbraw/zinc/47/74/36/569477436.db2.gz LREUWBVJMIFSBG-UHFFFAOYSA-N 0 0 430.577 5.888 50 0 IKAARN O=c1c2ccccc2nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1-c1ccccc1 ZINC000008825577 569477455 /nfs/dbraw/zinc/47/74/55/569477455.db2.gz QHUHLZQEQNCLBY-UHFFFAOYSA-N 0 0 446.919 5.381 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Br)cc1)N(c1ccccn1)C3=O ZINC000008827481 569477601 /nfs/dbraw/zinc/47/76/01/569477601.db2.gz ZPUYSDFEWPWSAY-FQEVSTJZSA-N 0 0 447.288 5.009 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O ZINC000008828143 569477764 /nfs/dbraw/zinc/47/77/64/569477764.db2.gz KBKBXEXFZCLZCG-HSZRJFAPSA-N 0 0 447.538 5.767 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)cc1 ZINC000008828172 569477775 /nfs/dbraw/zinc/47/77/75/569477775.db2.gz FLKXJCWFANQNHJ-QHCPKHFHSA-N 0 0 431.539 6.067 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000008828149 569477784 /nfs/dbraw/zinc/47/77/84/569477784.db2.gz KZEYDMUPSFSTFZ-HXUWFJFHSA-N 0 0 441.531 5.035 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 ZINC000008828195 569477799 /nfs/dbraw/zinc/47/77/99/569477799.db2.gz WSEWJMGWRSOPJD-MRXNPFEDSA-N 0 0 449.913 5.406 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 ZINC000008828180 569477805 /nfs/dbraw/zinc/47/78/05/569477805.db2.gz RIEJBLMRAIQBMU-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008828300 569477815 /nfs/dbraw/zinc/47/78/15/569477815.db2.gz XBQWMTRCXBEZCQ-NRFANRHFSA-N 0 0 427.523 5.868 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008828259 569477827 /nfs/dbraw/zinc/47/78/27/569477827.db2.gz YAHVRNFULCABCG-LJQANCHMSA-N 0 0 449.476 5.932 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008828293 569477859 /nfs/dbraw/zinc/47/78/59/569477859.db2.gz GQKFENQCMSOLDE-HXUWFJFHSA-N 0 0 443.522 5.473 50 0 IKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3noc(-c4ccccc4)c3c2)cc1 ZINC000008834429 569477908 /nfs/dbraw/zinc/47/79/08/569477908.db2.gz JPBCLNCLFGEBPW-WNJJXGMVSA-N 0 0 443.506 6.737 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccccc3C)oc3c4ccccc4sc3c2=O)cc1 ZINC000008836303 569477992 /nfs/dbraw/zinc/47/79/92/569477992.db2.gz FQODLFPOSYFJIM-UHFFFAOYSA-N 0 0 441.508 6.244 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)oc3c4ccccc4sc3c2=O)cc1 ZINC000008836302 569478035 /nfs/dbraw/zinc/47/80/35/569478035.db2.gz HFXBILINUAMTJI-UHFFFAOYSA-N 0 0 441.508 6.244 50 0 IKAARN CCCCCCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc21 ZINC000008836548 569478080 /nfs/dbraw/zinc/47/80/80/569478080.db2.gz ZUGYOILTGAAQQO-UHFFFAOYSA-N 0 0 430.508 5.096 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008836947 569478197 /nfs/dbraw/zinc/47/81/97/569478197.db2.gz YPGOBGGEMLQKLB-UKILVPOCSA-N 0 0 447.376 6.815 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000008837343 569478264 /nfs/dbraw/zinc/47/82/64/569478264.db2.gz OBHYQKCSVOLJRE-UHFFFAOYSA-N 0 0 439.993 6.392 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000008838296 569478337 /nfs/dbraw/zinc/47/83/37/569478337.db2.gz RZKSATDHOQETOI-JTHBVZDNSA-N 0 0 427.306 6.683 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008843111 569478459 /nfs/dbraw/zinc/47/84/59/569478459.db2.gz CBLFDBOWMZBDPI-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN CC1=Nc2ncnn2[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCc1ccccc1 ZINC000008843542 569478495 /nfs/dbraw/zinc/47/84/95/569478495.db2.gz WCZAHMYBNPCTNP-XMMPIXPASA-N 0 0 438.487 5.103 50 0 IKAARN COc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccc(C)cc4)n4ccccc34)n2)cc1 ZINC000008844893 569478679 /nfs/dbraw/zinc/47/86/79/569478679.db2.gz RIMDLUMIFKTRGP-UHFFFAOYSA-N 0 0 439.540 5.860 50 0 IKAARN CCCOc1ccc([C@@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845262 569478766 /nfs/dbraw/zinc/47/87/66/569478766.db2.gz HYASTTGXIYIRSZ-RUZDIDTESA-N 0 0 443.503 5.218 50 0 IKAARN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCc2ccccc2)C3=O)c(O)c1 ZINC000008845772 569478904 /nfs/dbraw/zinc/47/89/04/569478904.db2.gz CDBXDUHKZNIZDK-RUZDIDTESA-N 0 0 427.479 5.018 50 0 IKAARN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)N(CCc2ccccc2)C3=O)c(O)c1 ZINC000008845789 569478928 /nfs/dbraw/zinc/47/89/28/569478928.db2.gz DKMXAEKADVDUSG-VWLOTQADSA-N 0 0 443.934 5.532 50 0 IKAARN Clc1ccc(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)c(Cl)c1 ZINC000008846514 569479044 /nfs/dbraw/zinc/47/90/44/569479044.db2.gz RLJRWIOHDAQNEA-UHFFFAOYSA-N 0 0 433.338 7.124 50 0 IKAARN N=C1SC(=Cc2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccccc1C(F)(F)F ZINC000008846485 569479050 /nfs/dbraw/zinc/47/90/50/569479050.db2.gz SMXGCJKKCBECSX-GOUSHSFNSA-N 0 0 432.402 5.290 50 0 IKAARN CC(=O)c1cc(C(=O)c2ccccc2)n2c1c(-c1ccc3ccccc3n1)cc1ccccc12 ZINC000008846366 569479109 /nfs/dbraw/zinc/47/91/09/569479109.db2.gz KQTNLLZRBFXCLM-UHFFFAOYSA-N 0 0 440.502 6.741 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008847691 569479126 /nfs/dbraw/zinc/47/91/26/569479126.db2.gz KKYJZLXCHHMRHN-UHFFFAOYSA-N 0 0 436.515 5.369 50 0 IKAARN COCc1cc(C)nc2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(N)c21 ZINC000008846728 569479138 /nfs/dbraw/zinc/47/91/38/569479138.db2.gz MXUKEYRTGQNKPS-UHFFFAOYSA-N 0 0 431.561 5.176 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1C ZINC000008851910 569479413 /nfs/dbraw/zinc/47/94/13/569479413.db2.gz PVXJMFGTTMULTE-GOSISDBHSA-N 0 0 438.597 5.630 50 0 IKAARN COCc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000008851326 569479424 /nfs/dbraw/zinc/47/94/24/569479424.db2.gz USEPZODYXCIZKF-UHFFFAOYSA-N 0 0 428.410 5.356 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852085 569479443 /nfs/dbraw/zinc/47/94/43/569479443.db2.gz SHKZXIVXYUPNJZ-UHFFFAOYSA-N 0 0 449.960 5.156 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000008852882 569479482 /nfs/dbraw/zinc/47/94/82/569479482.db2.gz YVKNCKHCFBGLDK-UHFFFAOYSA-N 0 0 431.970 5.017 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1 ZINC000008852984 569479490 /nfs/dbraw/zinc/47/94/90/569479490.db2.gz BKZFIKYJAFFKHG-UHFFFAOYSA-N 0 0 445.997 5.325 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 ZINC000008852941 569479528 /nfs/dbraw/zinc/47/95/28/569479528.db2.gz VTESBSYFIZWWFA-UHFFFAOYSA-N 0 0 449.960 5.156 50 0 IKAARN Fc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CCc2ccccc2)cc1 ZINC000008854011 569479643 /nfs/dbraw/zinc/47/96/43/569479643.db2.gz KVVJWBYLHHCJGF-FAJYDZGRSA-N 0 0 442.481 6.850 50 0 IKAARN Brc1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 ZINC000008854962 569479681 /nfs/dbraw/zinc/47/96/81/569479681.db2.gz HYIDOCUPRFNCBD-UHFFFAOYSA-N 0 0 427.305 5.888 50 0 IKAARN CCN(CC)C(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)c1ccccc1 ZINC000008855999 569479737 /nfs/dbraw/zinc/47/97/37/569479737.db2.gz VWHUNWXNMZADLO-LJQANCHMSA-N 0 0 443.638 5.358 50 0 IKAARN N=C1SC(=Cc2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000008856077 569479742 /nfs/dbraw/zinc/47/97/42/569479742.db2.gz CCYGSJWAVLZJFG-LFBYWYOWSA-N 0 0 433.295 5.578 50 0 IKAARN CCCCN(CCCC)c1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC)n1 ZINC000008857512 569479825 /nfs/dbraw/zinc/47/98/25/569479825.db2.gz TWMPNLBBZILLEO-UHFFFAOYSA-N 0 0 443.926 5.588 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000008856915 569479885 /nfs/dbraw/zinc/47/98/85/569479885.db2.gz LGSVIKNTVZFSQX-UHFFFAOYSA-N 0 0 430.529 6.055 50 0 IKAARN Clc1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c(Cl)c1 ZINC000008860227 569479920 /nfs/dbraw/zinc/47/99/20/569479920.db2.gz IXCTVGZMJKYAPT-UHFFFAOYSA-N 0 0 433.338 7.124 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000008860232 569479931 /nfs/dbraw/zinc/47/99/31/569479931.db2.gz FAOGZFXHDBBIPN-HXUWFJFHSA-N 0 0 432.995 7.119 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 ZINC000008861461 569479993 /nfs/dbraw/zinc/47/99/93/569479993.db2.gz CZAJGOCBWAEFTN-ZDUSSCGKSA-N 0 0 448.951 5.495 50 0 IKAARN CC(=O)c1ccc(NC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000008861358 569480009 /nfs/dbraw/zinc/48/00/09/569480009.db2.gz VOAIUJUPXFMTHL-RHESKXDESA-N 0 0 444.918 5.508 50 0 IKAARN C[C@@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccc(Cl)cc5)o4)o3)cc2C1 ZINC000008861841 569480040 /nfs/dbraw/zinc/48/00/40/569480040.db2.gz OBFCQYNCAVFRJK-LLVKDONJSA-N 0 0 444.969 5.919 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000008861736 569480063 /nfs/dbraw/zinc/48/00/63/569480063.db2.gz PMRXKUROROHELJ-QHCPKHFHSA-N 0 0 441.512 5.943 50 0 IKAARN Cc1cc(-c2csc(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)n2)c(C)n1C1CC1 ZINC000008862005 569480107 /nfs/dbraw/zinc/48/01/07/569480107.db2.gz CUXGFVIGUFTUJS-UHFFFAOYSA-N 0 0 436.625 5.559 50 0 IKAARN COc1cccc(-c2nc(CSc3nnc(-c4ccc(OC)c(OC)c4)o3)cs2)c1 ZINC000008862061 569480109 /nfs/dbraw/zinc/48/01/09/569480109.db2.gz NSTMHYOAICFLLY-UHFFFAOYSA-N 0 0 441.534 5.178 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 ZINC000008862413 569480143 /nfs/dbraw/zinc/48/01/43/569480143.db2.gz GXNPBRVXKDKRNR-IAGOWNOFSA-N 0 0 438.572 5.037 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000008868779 569480395 /nfs/dbraw/zinc/48/03/95/569480395.db2.gz MEYHYIWOLOSZIJ-QHCPKHFHSA-N 0 0 429.472 5.310 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000008869432 569480442 /nfs/dbraw/zinc/48/04/42/569480442.db2.gz YHYPRHUGLRIGLY-HSZRJFAPSA-N 0 0 429.472 5.229 50 0 IKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)C3 ZINC000008870346 569480545 /nfs/dbraw/zinc/48/05/45/569480545.db2.gz LTTYQPZPDNDAMK-UHFFFAOYSA-N 0 0 439.577 5.995 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)cc3c2C1 ZINC000008870288 569480562 /nfs/dbraw/zinc/48/05/62/569480562.db2.gz FFNROQRXQSGOTQ-INIZCTEOSA-N 0 0 446.012 6.737 50 0 IKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccccc3)c(C)cc2oc1-c1ccccc1 ZINC000008870304 569480567 /nfs/dbraw/zinc/48/05/67/569480567.db2.gz WXSBUBQTBTXJMO-UHFFFAOYSA-N 0 0 435.501 5.386 50 0 IKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C[C@H](C(C)(C)C)CC3 ZINC000008870298 569480569 /nfs/dbraw/zinc/48/05/69/569480569.db2.gz NDAUSSIBTZHZIR-OAHLLOKOSA-N 0 0 431.985 6.346 50 0 IKAARN CCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000008870326 569480596 /nfs/dbraw/zinc/48/05/96/569480596.db2.gz NASGKWOSOSVJLY-UHFFFAOYSA-N 0 0 429.538 5.325 50 0 IKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)C[C@H](C)CC3 ZINC000008870363 569480636 /nfs/dbraw/zinc/48/06/36/569480636.db2.gz WBGCWUBQHMBAAR-GFCCVEGCSA-N 0 0 434.355 5.429 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc12 ZINC000008871035 569480712 /nfs/dbraw/zinc/48/07/12/569480712.db2.gz LWRBWUIPNHTUDX-UHFFFAOYSA-N 0 0 432.524 5.066 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)cc1 ZINC000008871465 569480833 /nfs/dbraw/zinc/48/08/33/569480833.db2.gz YDCHEXCMVWXDGH-JOCHJYFZSA-N 0 0 439.559 5.724 50 0 IKAARN CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000008874179 569480980 /nfs/dbraw/zinc/48/09/80/569480980.db2.gz XGHPIBKEOMINTQ-UHFFFAOYSA-N 0 0 449.422 7.068 50 0 IKAARN COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c(OC)c1 ZINC000008877991 569481282 /nfs/dbraw/zinc/48/12/82/569481282.db2.gz BEKYDHYCKLSXAD-UHFFFAOYSA-N 0 0 435.476 5.053 50 0 biogenic IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2-c2cc(=O)oc3c(C)cc(C)cc23)cc1 ZINC000008879956 569481413 /nfs/dbraw/zinc/48/14/13/569481413.db2.gz PJNVGJOWSYFYPD-UHFFFAOYSA-N 0 0 439.467 6.084 50 0 biogenic IKAARN CC1(C)COc2c(c3c(nc2-c2ccccc2)sc2c3ncnc2N2CCCCC2)C1 ZINC000039321628 569481473 /nfs/dbraw/zinc/48/14/73/569481473.db2.gz CASJXDMAJPMWCW-UHFFFAOYSA-N 0 0 430.577 5.858 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)c1 ZINC000008880641 569481485 /nfs/dbraw/zinc/48/14/85/569481485.db2.gz VSPQMJWHCINYSE-INIZCTEOSA-N 0 0 440.544 5.062 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCc1ccco1)c1ccc(Cl)cc1 ZINC000039404200 569481559 /nfs/dbraw/zinc/48/15/59/569481559.db2.gz FUKHJSZEWKCSRA-UHFFFAOYSA-N 0 0 449.315 5.686 50 0 IKAARN Cc1c(C(=O)N(C)Cc2ccc(Br)s2)sc2nc(C3CC3)nc(C)c12 ZINC000039553807 569481712 /nfs/dbraw/zinc/48/17/12/569481712.db2.gz LDDSZQVLAKOYEC-UHFFFAOYSA-N 0 0 436.400 5.282 50 0 IKAARN O=C(CNc1ccc2oc3ccccc3c2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000039972116 569482113 /nfs/dbraw/zinc/48/21/13/569482113.db2.gz NVNWJKINZRAHSR-JOCHJYFZSA-N 0 0 442.515 5.523 50 0 IKAARN COc1cc(CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C2CC2)ccc1OC(F)F ZINC000039995650 569482374 /nfs/dbraw/zinc/48/23/74/569482374.db2.gz ASUJWHMOLAYIEG-UHFFFAOYSA-N 0 0 439.886 5.299 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc(-c2ccsc2)n1 ZINC000039995447 569482403 /nfs/dbraw/zinc/48/24/03/569482403.db2.gz UURZZHCVRXNNKL-UHFFFAOYSA-N 0 0 444.969 5.626 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000040005237 569482421 /nfs/dbraw/zinc/48/24/21/569482421.db2.gz NGOGSYIUQVYPGT-UHFFFAOYSA-N 0 0 438.940 5.564 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c2ccccc2)cc1Cl ZINC000040005492 569482459 /nfs/dbraw/zinc/48/24/59/569482459.db2.gz YIMIVYFDINGWSJ-OYHNWAKOSA-N 0 0 435.911 5.160 50 0 IKAARN COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 ZINC000040002635 569482466 /nfs/dbraw/zinc/48/24/66/569482466.db2.gz WHJOQNQPQJZMCW-OAHLLOKOSA-N 0 0 444.453 5.829 50 0 IKAARN CC(=O)Nc1ccc(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000039996906 569482473 /nfs/dbraw/zinc/48/24/73/569482473.db2.gz YETFUTDNQUWXDJ-NRFANRHFSA-N 0 0 428.604 5.034 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c2ccccc2)cc1Cl ZINC000040005494 569482475 /nfs/dbraw/zinc/48/24/75/569482475.db2.gz YIMIVYFDINGWSJ-NYHFZMIOSA-N 0 0 435.911 5.160 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1SCc1ccsc1 ZINC000040009615 569482516 /nfs/dbraw/zinc/48/25/16/569482516.db2.gz BDOXLUYSIZSBLL-JOCHJYFZSA-N 0 0 434.586 5.943 50 0 IKAARN CC(C)(C)C(=O)N1CCC(C(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000040017248 569482599 /nfs/dbraw/zinc/48/25/99/569482599.db2.gz ALVKVMPXZNBQEE-QHCPKHFHSA-N 0 0 438.637 5.117 50 0 IKAARN c1csc(Cc2nnc(Sc3nc(-c4ccccc4)nc4ccccc43)n2C2CC2)c1 ZINC000040019903 569482670 /nfs/dbraw/zinc/48/26/70/569482670.db2.gz USNQOUZNEWIGCY-UHFFFAOYSA-N 0 0 441.585 6.027 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1CSc1nc2ccccc2o1 ZINC000040025662 569482794 /nfs/dbraw/zinc/48/27/94/569482794.db2.gz UOVGUPOLAASJEK-UHFFFAOYSA-N 0 0 430.533 5.368 50 0 IKAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C(C)C)nc2ccccc21 ZINC000008881539 569482844 /nfs/dbraw/zinc/48/28/44/569482844.db2.gz ZVFFPPRMVWIWAH-UHFFFAOYSA-N 0 0 443.469 5.266 50 0 IKAARN CCSc1nnc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000008880902 569482855 /nfs/dbraw/zinc/48/28/55/569482855.db2.gz QXQAMGBGVVRCKZ-SSDOTTSWSA-N 0 0 427.926 5.442 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nc4cc(Cl)ccc4s3)cs2)cc1 ZINC000008880962 569482878 /nfs/dbraw/zinc/48/28/78/569482878.db2.gz ZGOGNFCADWLFRW-UHFFFAOYSA-N 0 0 446.022 6.188 50 0 IKAARN CC(C)n1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O ZINC000008882354 569482917 /nfs/dbraw/zinc/48/29/17/569482917.db2.gz HBXWPZVDEJFYLG-CYBMUJFWSA-N 0 0 426.929 5.534 50 0 IKAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000008882321 569482930 /nfs/dbraw/zinc/48/29/30/569482930.db2.gz UTSJNRHSIXUYOX-UHFFFAOYSA-N 0 0 438.980 5.618 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1n[nH]c(-c2cccs2)n1)c1ccccc1 ZINC000008882917 569482965 /nfs/dbraw/zinc/48/29/65/569482965.db2.gz OZKRPQIREUZRDR-IBGZPJMESA-N 0 0 436.562 5.322 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000040034347 569483205 /nfs/dbraw/zinc/48/32/05/569483205.db2.gz ZFLQLLFURWGGLB-UHFFFAOYSA-N 0 0 439.515 5.294 50 0 IKAARN Cc1nc2cc(C(=O)N(C)Cc3nc4ccccc4n3C(F)F)ccc2n1-c1ccccc1 ZINC000040039838 569483312 /nfs/dbraw/zinc/48/33/12/569483312.db2.gz PUJRLWVMWWNZBR-UHFFFAOYSA-N 0 0 445.473 5.351 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000040039503 569483338 /nfs/dbraw/zinc/48/33/38/569483338.db2.gz SILPGWNFMFNNLZ-HSZRJFAPSA-N 0 0 444.560 5.147 50 0 IKAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C(C)C ZINC000040040608 569483500 /nfs/dbraw/zinc/48/35/00/569483500.db2.gz SDLZSMVNBZCANG-QHCPKHFHSA-N 0 0 444.535 5.032 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3O)nc2c1 ZINC000008895132 569483692 /nfs/dbraw/zinc/48/36/92/569483692.db2.gz HGBOGBHRGGWKEJ-UHFFFAOYSA-N 0 0 434.495 6.682 50 0 IKAARN O=C(CCSc1ccc(F)c(F)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008897982 569483999 /nfs/dbraw/zinc/48/39/99/569483999.db2.gz QJJUFPWXCYDOOC-UHFFFAOYSA-N 0 0 428.508 5.071 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@H]1CCCc2ccccc21 ZINC000008898762 569484035 /nfs/dbraw/zinc/48/40/35/569484035.db2.gz LMSJUHNZLKXOKW-QFIPXVFZSA-N 0 0 443.576 5.047 50 0 IKAARN COc1ccccc1-c1nc(CSc2nnc(-c3ccccc3F)n2C2CC2)cs1 ZINC000008898995 569484047 /nfs/dbraw/zinc/48/40/47/569484047.db2.gz VLOPVMISGGBVKB-UHFFFAOYSA-N 0 0 438.553 5.844 50 0 IKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008899513 569484059 /nfs/dbraw/zinc/48/40/59/569484059.db2.gz JPDCJQCRPOEXLT-UHFFFAOYSA-N 0 0 436.924 5.095 50 0 IKAARN CCCCn1c(C)c(C)nc1SCc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000040049964 569484188 /nfs/dbraw/zinc/48/41/88/569484188.db2.gz PKARZGXTNPNNAA-UHFFFAOYSA-N 0 0 442.654 5.847 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1F ZINC000040050586 569484203 /nfs/dbraw/zinc/48/42/03/569484203.db2.gz AQIUJDLGCMCNOC-AWEZNQCLSA-N 0 0 430.526 5.067 50 0 IKAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc2ccccc2c1 ZINC000040050323 569484229 /nfs/dbraw/zinc/48/42/29/569484229.db2.gz PMZHTRAPYUHYRK-UHFFFAOYSA-N 0 0 434.539 5.559 50 0 IKAARN CSc1ccc(CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC000008901068 569484300 /nfs/dbraw/zinc/48/43/00/569484300.db2.gz YQBGQIPFHCETTL-UHFFFAOYSA-N 0 0 429.541 5.763 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 ZINC000008901788 569484316 /nfs/dbraw/zinc/48/43/16/569484316.db2.gz LYMXGDHHASYIBR-LBPRGKRZSA-N 0 0 449.001 5.047 50 0 IKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)COc1cccc(C(C)(C)C)c1 ZINC000040058604 569484692 /nfs/dbraw/zinc/48/46/92/569484692.db2.gz BPHDWQNZZYJWMN-UHFFFAOYSA-N 0 0 432.568 5.295 50 0 IKAARN O=C(NCc1ccccc1Cl)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008911546 569484863 /nfs/dbraw/zinc/48/48/63/569484863.db2.gz VWRDGBWOESSPSI-UHFFFAOYSA-N 0 0 427.356 6.556 50 0 IKAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000040060332 569484882 /nfs/dbraw/zinc/48/48/82/569484882.db2.gz IQFIDOWPCGMOSE-UHFFFAOYSA-N 0 0 427.529 6.021 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)nc1CSc1ccccc1 ZINC000008911652 569484889 /nfs/dbraw/zinc/48/48/89/569484889.db2.gz AEEQNUNQHYDISJ-UHFFFAOYSA-N 0 0 432.520 6.642 50 0 IKAARN CC1CCN(c2nc3ccc(C(=O)NCc4cccc(Br)c4)cc3s2)CC1 ZINC000008911702 569484901 /nfs/dbraw/zinc/48/49/01/569484901.db2.gz UPFUVSDPPQLIOH-UHFFFAOYSA-N 0 0 444.398 5.225 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)nc1CSc1ccc(C)cc1 ZINC000008911648 569484914 /nfs/dbraw/zinc/48/49/14/569484914.db2.gz DGHARAHVRAWNRR-UHFFFAOYSA-N 0 0 446.547 6.951 50 0 IKAARN C[C@@H](CNC(=O)c1ccc2nc(SCc3ccc(F)cc3)n(C)c2c1)c1ccccc1 ZINC000008911877 569484936 /nfs/dbraw/zinc/48/49/36/569484936.db2.gz AFCHKRKOVFKDDQ-KRWDZBQOSA-N 0 0 433.552 5.538 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1ccc(Cl)c(Cl)c1 ZINC000008912531 569485015 /nfs/dbraw/zinc/48/50/15/569485015.db2.gz CRZNRXXXEFJBLD-UHFFFAOYSA-N 0 0 434.413 7.384 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000008912897 569485122 /nfs/dbraw/zinc/48/51/22/569485122.db2.gz RPVGUYXWVIVEDG-QGZVFWFLSA-N 0 0 448.567 5.439 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000008912695 569485140 /nfs/dbraw/zinc/48/51/40/569485140.db2.gz AWSGJGMOSKFMDH-UHFFFAOYSA-N 0 0 434.334 5.441 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(OC)c1)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913036 569485172 /nfs/dbraw/zinc/48/51/72/569485172.db2.gz TXSDVSKMROWCQZ-JOCHJYFZSA-N 0 0 446.576 5.630 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2cnccc2nc1SCc1cccc(F)c1 ZINC000008913046 569485184 /nfs/dbraw/zinc/48/51/84/569485184.db2.gz SBKZMGAHYCTQHO-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN Cc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000008913005 569485193 /nfs/dbraw/zinc/48/51/93/569485193.db2.gz NYJUUEXEGLDIQV-UHFFFAOYSA-N 0 0 430.577 5.794 50 0 IKAARN CCN(C(=O)Cn1c2cnccc2nc1SCc1ccc(C)cc1)c1cccc(C)c1 ZINC000008913033 569485196 /nfs/dbraw/zinc/48/51/96/569485196.db2.gz XOVIZUKRGSBYLQ-UHFFFAOYSA-N 0 0 430.577 5.394 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1ccccc1F)Nc1ccc(F)c(Cl)c1 ZINC000008913177 569485206 /nfs/dbraw/zinc/48/52/06/569485206.db2.gz WCLRGCMBDZMRPQ-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1ccccc1F)Nc1ccc(Cl)cc1F ZINC000008913178 569485219 /nfs/dbraw/zinc/48/52/19/569485219.db2.gz WDCXWDUZCSYDQH-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccc(F)cc2)c(Cl)c1 ZINC000008913086 569485225 /nfs/dbraw/zinc/48/52/25/569485225.db2.gz ULEKLHPFEUZBMX-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000008913114 569485240 /nfs/dbraw/zinc/48/52/40/569485240.db2.gz XKPIVXRVVKXFJL-UHFFFAOYSA-N 0 0 434.540 5.427 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1cccc(Cl)c1)Nc1cccc(F)c1 ZINC000008913233 569485264 /nfs/dbraw/zinc/48/52/64/569485264.db2.gz JCILRQWGTHKSOU-UHFFFAOYSA-N 0 0 426.904 5.155 50 0 IKAARN Cc1ccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000008913312 569485274 /nfs/dbraw/zinc/48/52/74/569485274.db2.gz JYIQDTJFWGZQDE-UHFFFAOYSA-N 0 0 442.588 5.316 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1cccc(Cl)c1)NCCC1=CCCCC1 ZINC000008913228 569485278 /nfs/dbraw/zinc/48/52/78/569485278.db2.gz MIQKETLLENTUGV-UHFFFAOYSA-N 0 0 441.000 5.384 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2ccccc2C)c1 ZINC000008913205 569485293 /nfs/dbraw/zinc/48/52/93/569485293.db2.gz ZYDOULCQFDNREA-UHFFFAOYSA-N 0 0 434.590 5.393 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccccc1C ZINC000008913214 569485297 /nfs/dbraw/zinc/48/52/97/569485297.db2.gz FPRAQWYIFOQDMC-NRFANRHFSA-N 0 0 434.540 5.761 50 0 IKAARN Cc1ccccc1Cn1c2cnccc2nc1SCc1ccc(C(=O)N2CCCC2)cc1 ZINC000008913426 569485330 /nfs/dbraw/zinc/48/53/30/569485330.db2.gz INPKLQRBHBEHQS-UHFFFAOYSA-N 0 0 442.588 5.316 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008913513 569485362 /nfs/dbraw/zinc/48/53/62/569485362.db2.gz HXENKTUHQOCUAC-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000008913586 569485383 /nfs/dbraw/zinc/48/53/83/569485383.db2.gz GQLIBBUPQZKEPG-UHFFFAOYSA-N 0 0 442.588 5.316 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000008913622 569485409 /nfs/dbraw/zinc/48/54/09/569485409.db2.gz VZFIJBAAXLJFLG-QGZVFWFLSA-N 0 0 448.567 5.439 50 0 IKAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000040069869 569485413 /nfs/dbraw/zinc/48/54/13/569485413.db2.gz AUVHXDGLEOMMAN-CQSZACIVSA-N 0 0 433.335 5.809 50 0 IKAARN COc1ccccc1[C@H](C)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000040069866 569485453 /nfs/dbraw/zinc/48/54/53/569485453.db2.gz CWBOLENGVDXYLQ-FQEVSTJZSA-N 0 0 440.543 6.169 50 0 IKAARN CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2ccccc21 ZINC000008914383 569485454 /nfs/dbraw/zinc/48/54/54/569485454.db2.gz YBDBQAIWRCBFNC-PGMHBOJBSA-N 0 0 441.918 5.336 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1Cl ZINC000008915439 569485516 /nfs/dbraw/zinc/48/55/16/569485516.db2.gz BOILMHDEQUUBCA-QGZVFWFLSA-N 0 0 442.770 5.867 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000008915478 569485544 /nfs/dbraw/zinc/48/55/44/569485544.db2.gz FAAHPDLXUPUZQU-OAHLLOKOSA-N 0 0 433.162 6.122 50 0 IKAARN O=C(COc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000008915452 569485549 /nfs/dbraw/zinc/48/55/49/569485549.db2.gz AVIZHFHUSDWPGB-GOSISDBHSA-N 0 0 428.743 5.233 50 0 IKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O ZINC000008915723 569485565 /nfs/dbraw/zinc/48/55/65/569485565.db2.gz GIPUBNXTJNSRCD-HSZRJFAPSA-N 0 0 437.587 6.147 50 0 IKAARN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)ccc1Cl ZINC000008915462 569485566 /nfs/dbraw/zinc/48/55/66/569485566.db2.gz FJHCZTNMJDCXST-SFHVURJKSA-N 0 0 442.770 5.542 50 0 IKAARN O=C(Nc1ccc(OC(F)F)cc1)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000008915622 569485585 /nfs/dbraw/zinc/48/55/85/569485585.db2.gz MWSIHFIGXGCXTC-UHFFFAOYSA-N 0 0 439.846 5.415 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)c5cc(C)ccc5o4)cc3)sc2c1 ZINC000008915761 569485611 /nfs/dbraw/zinc/48/56/11/569485611.db2.gz ABCAOAJDBIVZKA-UHFFFAOYSA-N 0 0 426.497 5.939 50 0 IKAARN COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 ZINC000008915810 569485618 /nfs/dbraw/zinc/48/56/18/569485618.db2.gz FLCFQAXSYIAECY-IBGZPJMESA-N 0 0 445.950 5.576 50 0 IKAARN COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 ZINC000008915809 569485631 /nfs/dbraw/zinc/48/56/31/569485631.db2.gz FLCFQAXSYIAECY-LJQANCHMSA-N 0 0 445.950 5.576 50 0 IKAARN COc1cccc(OCCNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000040070934 569485664 /nfs/dbraw/zinc/48/56/64/569485664.db2.gz WPAGYVJUROUANQ-UHFFFAOYSA-N 0 0 442.515 5.145 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4cccc(Cl)c4)s3)c(=O)oc2c1 ZINC000008915957 569485680 /nfs/dbraw/zinc/48/56/80/569485680.db2.gz PFOHSTFNHAZOPW-UHFFFAOYSA-N 0 0 426.929 5.555 50 0 IKAARN C[C@@H]1C[C@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 ZINC000040070969 569485696 /nfs/dbraw/zinc/48/56/96/569485696.db2.gz KKLFOGLZDYVXNE-VGSWGCGISA-N 0 0 431.020 5.398 50 0 IKAARN CCCOc1ccc(/C=C2/S[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000008916892 569485844 /nfs/dbraw/zinc/48/58/44/569485844.db2.gz RNASDLCEOCKJBB-NTWBUQQASA-N 0 0 445.584 6.612 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(SCc2ccccc2F)ncc1Cl ZINC000008917035 569485945 /nfs/dbraw/zinc/48/59/45/569485945.db2.gz ZTPMGGCMANYITF-UHFFFAOYSA-N 0 0 441.837 5.833 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)c1 ZINC000008917482 569486028 /nfs/dbraw/zinc/48/60/28/569486028.db2.gz QMAICYYEAQYFLV-UHFFFAOYSA-N 0 0 429.929 5.000 50 0 IKAARN COc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)c(OC)c1 ZINC000008917464 569486056 /nfs/dbraw/zinc/48/60/56/569486056.db2.gz CQEOAXQNKJKSHT-UHFFFAOYSA-N 0 0 429.929 5.000 50 0 IKAARN Cc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4cccc(Cl)c4)N3C2=O)c1 ZINC000008917886 569486158 /nfs/dbraw/zinc/48/61/58/569486158.db2.gz XTRARPMVPVDXHB-UPVQGACJSA-N 0 0 441.918 5.613 50 0 biogenic IKAARN Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(C)s1 ZINC000040074249 569486199 /nfs/dbraw/zinc/48/61/99/569486199.db2.gz UABATSUXJTVQQW-KZULUSFZSA-N 0 0 427.397 5.304 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(OC(F)(F)F)cc1 ZINC000040074318 569486210 /nfs/dbraw/zinc/48/62/10/569486210.db2.gz OWPYVLDFOJAOPD-GFCCVEGCSA-N 0 0 440.368 5.328 50 0 IKAARN CCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC ZINC000008918093 569486223 /nfs/dbraw/zinc/48/62/23/569486223.db2.gz CDPOBZIMHLARGH-VHRAYMLOSA-N 0 0 434.580 5.291 50 0 biogenic IKAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 ZINC000008919308 569486373 /nfs/dbraw/zinc/48/63/73/569486373.db2.gz AKQZIKVBWVXCKE-UHFFFAOYSA-N 0 0 434.992 7.302 50 0 IKAARN Cc1ccc(NC(=O)Cn2cnc3scc(-c4ccc5c(c4)CCCC5)c3c2=O)cc1C ZINC000008919591 569486418 /nfs/dbraw/zinc/48/64/18/569486418.db2.gz UNEYNCIQUNSPRK-UHFFFAOYSA-N 0 0 443.572 5.259 50 0 IKAARN O=C1C[C@@H](c2cccc3ccccc32)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000008920142 569486500 /nfs/dbraw/zinc/48/65/00/569486500.db2.gz RRSJFYKUOYFWPY-DEOSSOPVSA-N 0 0 432.548 7.248 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4OC)cc3n2)cc1 ZINC000008920690 569486538 /nfs/dbraw/zinc/48/65/38/569486538.db2.gz VPYYZCCMGOCILA-UHFFFAOYSA-N 0 0 434.927 5.677 50 0 IKAARN Cc1ccc(C(=O)C2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c(C)c1 ZINC000040086187 569486647 /nfs/dbraw/zinc/48/66/47/569486647.db2.gz TWKHLHVEBADMKA-UHFFFAOYSA-N 0 0 443.469 5.467 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000008920905 569486796 /nfs/dbraw/zinc/48/67/96/569486796.db2.gz RDLMXSYGKOQUHY-JLCFBVMHSA-N 0 0 438.568 7.117 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000008920911 569486836 /nfs/dbraw/zinc/48/68/36/569486836.db2.gz RDLMXSYGKOQUHY-RCDICMHDSA-N 0 0 438.568 7.117 50 0 IKAARN Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)c1C ZINC000008921986 569486878 /nfs/dbraw/zinc/48/68/78/569486878.db2.gz AVAPFPXOJCXJHN-HHHXNRCGSA-N 0 0 447.962 5.581 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1cccc2ccccc21 ZINC000008922011 569486901 /nfs/dbraw/zinc/48/69/01/569486901.db2.gz NFFKBUGCXUFEEA-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2)C1=O ZINC000008922068 569486905 /nfs/dbraw/zinc/48/69/05/569486905.db2.gz FRHLCAYCXZYLFD-HHHXNRCGSA-N 0 0 447.962 5.779 50 0 IKAARN CCOc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000008922630 569486927 /nfs/dbraw/zinc/48/69/27/569486927.db2.gz MVEHPHNDXUSVNY-SANMLTNESA-N 0 0 449.934 5.055 50 0 IKAARN Cc1ccc(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c1 ZINC000008922627 569486950 /nfs/dbraw/zinc/48/69/50/569486950.db2.gz GSDZZEPAAQFAAK-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN C[C@@H](C(=O)c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000008922925 569486970 /nfs/dbraw/zinc/48/69/70/569486970.db2.gz PKJSCMUCXVTILM-IZHWHUGBSA-N 0 0 440.326 5.247 50 0 IKAARN Cc1[nH]c2ccccc2c1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000008922833 569486986 /nfs/dbraw/zinc/48/69/86/569486986.db2.gz OPAMMOKIPMYTRM-NRFANRHFSA-N 0 0 449.576 6.147 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 ZINC000008923694 569487081 /nfs/dbraw/zinc/48/70/81/569487081.db2.gz HOCPKNVNCJGALB-QFIPXVFZSA-N 0 0 446.355 5.371 50 0 IKAARN C[C@@H](C(=O)c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2Cl)C1=O ZINC000008923575 569487085 /nfs/dbraw/zinc/48/70/85/569487085.db2.gz UXAQLWXPNRLOML-IZHWHUGBSA-N 0 0 440.326 5.247 50 0 IKAARN C[C@@H](Oc1ccccc1)C(=O)NCCSc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000008924079 569487104 /nfs/dbraw/zinc/48/71/04/569487104.db2.gz KSOQKARNLNZFIR-QGZVFWFLSA-N 0 0 434.536 5.650 50 0 IKAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000008924535 569487190 /nfs/dbraw/zinc/48/71/90/569487190.db2.gz QAEIDRSQWZEQBG-LBPRGKRZSA-N 0 0 443.985 5.822 50 0 IKAARN Cc1ccccc1NC(=O)N(O)[C@H]1N(c2ccccc2C)C(=O)N(CCC(C)C)C1(C)C ZINC000008926372 569487248 /nfs/dbraw/zinc/48/72/48/569487248.db2.gz PSMWGZMFZMYGTH-JOCHJYFZSA-N 0 0 438.572 5.620 50 0 IKAARN O=C(c1ccccc1)N1[C@H](c2ccccc2)c2ccc3cccnc3c2O[C@H]1c1ccccc1 ZINC000008926430 569487289 /nfs/dbraw/zinc/48/72/89/569487289.db2.gz MQVOWBJKXKHVER-OFSOJUDTSA-N 0 0 442.518 6.558 50 0 IKAARN O=C(c1ccccc1)N1[C@H](c2ccccc2)Oc2c(ccc3cccnc32)[C@@H]1c1ccccc1 ZINC000008926431 569487319 /nfs/dbraw/zinc/48/73/19/569487319.db2.gz MQVOWBJKXKHVER-FIBWVYCGSA-N 0 0 442.518 6.558 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)C2=O)c1 ZINC000008927836 569487337 /nfs/dbraw/zinc/48/73/37/569487337.db2.gz KEQGRVXOSQAORA-LJAQVGFWSA-N 0 0 439.555 5.190 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3cccc4ccccc43)C2=O)c1 ZINC000008927853 569487398 /nfs/dbraw/zinc/48/73/98/569487398.db2.gz OKFYJVXEHXIOSJ-GDLZYMKVSA-N 0 0 435.523 5.464 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])cc1 ZINC000008932832 569487701 /nfs/dbraw/zinc/48/77/01/569487701.db2.gz UHWJLFZGFYTWHH-UHFFFAOYSA-N 0 0 426.944 5.193 50 0 IKAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932668 569487707 /nfs/dbraw/zinc/48/77/07/569487707.db2.gz XLFVFRLMVHWAKP-UHFFFAOYSA-N 0 0 440.971 5.236 50 0 IKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(Br)c(C)c1 ZINC000008933607 569487800 /nfs/dbraw/zinc/48/78/00/569487800.db2.gz VKSGZDISJOUYRP-UHFFFAOYSA-N 0 0 435.325 5.295 50 0 IKAARN Nc1c2ccc(C34CC5CC(CC(C5)C3)C4)nc2sc1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008934339 569487906 /nfs/dbraw/zinc/48/79/06/569487906.db2.gz JCTAPSCLAKURTL-UHFFFAOYSA-N 0 0 446.660 6.745 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2n[nH]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000008941791 569488608 /nfs/dbraw/zinc/48/86/08/569488608.db2.gz RTWVIRYWPWFMOR-LJQANCHMSA-N 0 0 434.546 5.208 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000008941633 569488630 /nfs/dbraw/zinc/48/86/30/569488630.db2.gz IQNQKPOSEPQNON-UHFFFAOYSA-N 0 0 428.557 6.427 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008943099 569488747 /nfs/dbraw/zinc/48/87/47/569488747.db2.gz DQJOQAIVJHXUHH-INIZCTEOSA-N 0 0 432.524 5.408 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(COc3cccc(C)c3)o2)c2ccccc2)cc1 ZINC000008945241 569488989 /nfs/dbraw/zinc/48/89/89/569488989.db2.gz ZDBFJACNYGZYIH-QHCPKHFHSA-N 0 0 445.544 5.738 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(COc3cccc(C)c3)o2)c2ccccc2)cc1 ZINC000008945235 569489016 /nfs/dbraw/zinc/48/90/16/569489016.db2.gz ZDBFJACNYGZYIH-HSZRJFAPSA-N 0 0 445.544 5.738 50 0 IKAARN CSc1ccc(CN(C)C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc1 ZINC000040115386 569489229 /nfs/dbraw/zinc/48/92/29/569489229.db2.gz ZCBGOJQDMOUIGU-UHFFFAOYSA-N 0 0 428.941 5.488 50 0 IKAARN COc1cc(CN(C(=O)Nc2ccc(C)c3ncccc23)C2CC2)ccc1OC(F)F ZINC000040120238 569489467 /nfs/dbraw/zinc/48/94/67/569489467.db2.gz SRCJVETXULQELU-UHFFFAOYSA-N 0 0 427.451 5.350 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2N(C)c2ccccc2)c1 ZINC000040122761 569489659 /nfs/dbraw/zinc/48/96/59/569489659.db2.gz NIJPLHQUKLYMOM-UHFFFAOYSA-N 0 0 429.549 5.323 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1nnnn1-c1ccccc1 ZINC000040122921 569489678 /nfs/dbraw/zinc/48/96/78/569489678.db2.gz MVUUHRKVVNJNLD-HNNXBMFYSA-N 0 0 428.496 5.265 50 0 IKAARN CC(C)CN1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2OCC(C)(C)C1=O ZINC000008959036 569490303 /nfs/dbraw/zinc/49/03/03/569490303.db2.gz CUIMNTNKJWIRFX-UHFFFAOYSA-N 0 0 434.458 5.365 50 0 IKAARN CC(C)CCN1c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000008959247 569490315 /nfs/dbraw/zinc/49/03/15/569490315.db2.gz XXXJVHWUGDBURV-UHFFFAOYSA-N 0 0 444.959 5.155 50 0 IKAARN CC(C)CCN1c2ccc(NC(=O)c3ccc(Br)o3)cc2OCC(C)(C)C1=O ZINC000008959283 569490323 /nfs/dbraw/zinc/49/03/23/569490323.db2.gz ZVRPEWREPBNOCT-UHFFFAOYSA-N 0 0 449.345 5.092 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000008959941 569490345 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O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(F)cc1Cl ZINC000009009315 569496311 /nfs/dbraw/zinc/49/63/11/569496311.db2.gz PHLQBKBVJCHPBU-UHFFFAOYSA-N 0 0 441.871 5.120 50 0 IKAARN CCc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000009010259 569496454 /nfs/dbraw/zinc/49/64/54/569496454.db2.gz OTDOYGKMMAPMLS-UHFFFAOYSA-N 0 0 449.579 7.027 50 0 IKAARN COc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1OC ZINC000040217006 569496511 /nfs/dbraw/zinc/49/65/11/569496511.db2.gz LXJNHLWEKFDHBC-UHFFFAOYSA-N 0 0 436.943 5.338 50 0 IKAARN Clc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 ZINC000009019500 569496871 /nfs/dbraw/zinc/49/68/71/569496871.db2.gz TXLRDAOZHUHAPL-MFXVKMIXSA-N 0 0 428.963 6.938 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)C1CCCC1 ZINC000009019438 569496881 /nfs/dbraw/zinc/49/68/81/569496881.db2.gz YXXGIIIVUXNKIL-CONSDPRKSA-N 0 0 445.606 7.533 50 0 IKAARN CCCCCN1C(=O)N(c2ccccc2C)[C@@H](N(O)C(=O)Nc2ccccc2C)C1(C)C ZINC000009019511 569496918 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Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc5ccccc5n4)nc3c1[C@H]2c1ccccc1 ZINC000009185467 569510136 /nfs/dbraw/zinc/51/01/36/569510136.db2.gz ATRNJNHLIMRAPH-QHCPKHFHSA-N 0 0 443.466 5.331 50 0 IKAARN COC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 ZINC000009187758 569510429 /nfs/dbraw/zinc/51/04/29/569510429.db2.gz KDXBYASPGSSBIO-UHFFFAOYSA-N 0 0 444.487 5.557 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(F)c(F)c1F ZINC000009189579 569510474 /nfs/dbraw/zinc/51/04/74/569510474.db2.gz SZKCIGXKDHUYNO-UHFFFAOYSA-N 0 0 440.450 5.082 50 0 IKAARN C[C@H](NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N)c1ccccc1 ZINC000009187829 569510485 /nfs/dbraw/zinc/51/04/85/569510485.db2.gz VEILFPSANZASMZ-SFHVURJKSA-N 0 0 449.579 6.704 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(F)cc1Cl ZINC000009190373 569510597 /nfs/dbraw/zinc/51/05/97/569510597.db2.gz BWSZUWNDFLRNJV-UHFFFAOYSA-N 0 0 443.862 5.553 50 0 IKAARN CC(=O)n1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)c(C)s2)nc2ccccc21 ZINC000009191690 569510653 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O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)cc1N1CCCC1=O ZINC000009202857 569511251 /nfs/dbraw/zinc/51/12/51/569511251.db2.gz TZOKRZYUQIBXAC-UHFFFAOYSA-N 0 0 436.924 5.095 50 0 IKAARN O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000009203942 569511297 /nfs/dbraw/zinc/51/12/97/569511297.db2.gz RJGAAEGJBIOUBV-GOSISDBHSA-N 0 0 430.533 5.877 50 0 IKAARN COc1ccc(CN(Cc2ccco2)C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000009204913 569511362 /nfs/dbraw/zinc/51/13/62/569511362.db2.gz RKBFZJYOBOPENJ-GOSISDBHSA-N 0 0 427.928 5.555 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1C[C@@H]1CCCO1 ZINC000009206960 569511401 /nfs/dbraw/zinc/51/14/01/569511401.db2.gz AOPSAUVBHSHMCY-OXJNMPFZSA-N 0 0 425.941 5.209 50 0 IKAARN COc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)c(OC)c1 ZINC000009206890 569511402 /nfs/dbraw/zinc/51/14/02/569511402.db2.gz OJRMEIIZNHBLQD-UHFFFAOYSA-N 0 0 429.929 5.000 50 0 IKAARN COc1ccc2c(c1)nc(SCc1cc(=O)n3ccsc3n1)cc2-c1ccccc1 ZINC000009206994 569511405 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ZINC000009211913 569511941 /nfs/dbraw/zinc/51/19/41/569511941.db2.gz HCBAYLUEGBQBIE-UHFFFAOYSA-N 0 0 432.520 6.642 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)nc1CSc1ccccc1 ZINC000009211976 569511949 /nfs/dbraw/zinc/51/19/49/569511949.db2.gz DBSDMIPEJFWNFM-UHFFFAOYSA-N 0 0 448.975 7.156 50 0 IKAARN CCc1cccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)c1 ZINC000009211984 569511958 /nfs/dbraw/zinc/51/19/58/569511958.db2.gz YSPWBVPISBAYSP-UHFFFAOYSA-N 0 0 428.557 6.757 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(C[C@H]1CCCO1)C3=O ZINC000009215663 569511972 /nfs/dbraw/zinc/51/19/72/569511972.db2.gz BXSSWESYNWFMBY-VLIAUNLRSA-N 0 0 444.314 5.132 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000009212030 569511986 /nfs/dbraw/zinc/51/19/86/569511986.db2.gz OHYIDVXMFAACDD-UPTQXZAWSA-N 0 0 444.556 5.449 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000009212032 569511998 /nfs/dbraw/zinc/51/19/98/569511998.db2.gz OHYIDVXMFAACDD-HYHKQLJDSA-N 0 0 444.556 5.449 50 0 IKAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000009215836 569512043 /nfs/dbraw/zinc/51/20/43/569512043.db2.gz MXVCTNDTDCVATJ-FQEVSTJZSA-N 0 0 432.501 5.015 50 0 IKAARN CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000009215721 569512045 /nfs/dbraw/zinc/51/20/45/569512045.db2.gz KCHRNDOCUBHYDC-GOSISDBHSA-N 0 0 437.908 5.171 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000009216006 569512077 /nfs/dbraw/zinc/51/20/77/569512077.db2.gz GCQNABIFXGWLFV-UHFFFAOYSA-N 0 0 434.565 5.122 50 0 IKAARN COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009216243 569512131 /nfs/dbraw/zinc/51/21/31/569512131.db2.gz UBZJEEBWQDOGGA-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3ccc(Cl)cc3c2=O)cc1OC ZINC000009216156 569512150 /nfs/dbraw/zinc/51/21/50/569512150.db2.gz BMAVKLSKIKGBGR-UHFFFAOYSA-N 0 0 441.911 5.649 50 0 IKAARN CCCCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1[C@H](CC)N(C)C ZINC000009216949 569512235 /nfs/dbraw/zinc/51/22/35/569512235.db2.gz GXZCFMXDOSNPPE-IBGZPJMESA-N 0 0 428.602 5.106 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)s1 ZINC000009219105 569512449 /nfs/dbraw/zinc/51/24/49/569512449.db2.gz XMFYWXGZWAHICS-UHFFFAOYSA-N 0 0 439.631 5.518 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C)c3nnc(-c4cccs4)o3)nc(=O)c12 ZINC000009219021 569512459 /nfs/dbraw/zinc/51/24/59/569512459.db2.gz YCFULQFJDRGXSI-PWSUYJOCSA-N 0 0 446.623 5.846 50 0 IKAARN COc1ccc([C@H](NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c2ccccc2)cc1 ZINC000009222539 569512731 /nfs/dbraw/zinc/51/27/31/569512731.db2.gz SBDLTHQRKAJKIB-XMMPIXPASA-N 0 0 442.540 5.528 50 0 IKAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009222430 569512735 /nfs/dbraw/zinc/51/27/35/569512735.db2.gz HNEHOJMJRVNHPE-NSHDSACASA-N 0 0 428.863 5.215 50 0 IKAARN C[C@H]1CSC(N(C(=O)CCCc2nc3ccccc3s2)c2ccc(Cl)cc2)=N1 ZINC000009222667 569512808 /nfs/dbraw/zinc/51/28/08/569512808.db2.gz MDABIEPXUPZYKX-AWEZNQCLSA-N 0 0 429.998 5.797 50 0 IKAARN COc1ccc2oc(C(=O)Nc3ccc(Br)cc3Br)c(C)c2c1 ZINC000009223331 569512941 /nfs/dbraw/zinc/51/29/41/569512941.db2.gz MLLAVTGETZODQA-UHFFFAOYSA-N 0 0 439.103 5.527 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CSc1ccccc1C)CC2 ZINC000009223419 569512959 /nfs/dbraw/zinc/51/29/59/569512959.db2.gz QRJCDGVYYCVIOU-DEOSSOPVSA-N 0 0 439.602 5.340 50 0 IKAARN CCCCc1nc2ccccc2n1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009224060 569513095 /nfs/dbraw/zinc/51/30/95/569513095.db2.gz AZJFOGOCOHKQQD-UHFFFAOYSA-N 0 0 442.567 5.003 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)Nc3cccc(OC)c3)C3CCCCC3)n2)cc1 ZINC000009227138 569513347 /nfs/dbraw/zinc/51/33/47/569513347.db2.gz OWOKZNJAZXCPRB-UHFFFAOYSA-N 0 0 436.512 5.121 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)N(C)C)cc1 ZINC000009226987 569513364 /nfs/dbraw/zinc/51/33/64/569513364.db2.gz BBKNYEXTCNLTBG-HHHXNRCGSA-N 0 0 437.543 5.167 50 0 IKAARN CCCCN(CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1ccccc1 ZINC000009227630 569513432 /nfs/dbraw/zinc/51/34/32/569513432.db2.gz YVXKUWQUDAHOHS-UHFFFAOYSA-N 0 0 448.611 5.476 50 0 IKAARN CC(C)Cn1cc(NC(=O)N(Cc2ccco2)[C@@H]2CCCC[C@@H]2C)c2ccccc2c1=O ZINC000009227596 569513436 /nfs/dbraw/zinc/51/34/36/569513436.db2.gz JQPPYOKMOMOVQZ-YADARESESA-N 0 0 435.568 5.863 50 0 IKAARN CC(C)Cn1cc(NC(=O)N(Cc2ccco2)[C@H]2CCCC[C@H]2C)c2ccccc2c1=O ZINC000009227589 569513471 /nfs/dbraw/zinc/51/34/71/569513471.db2.gz JQPPYOKMOMOVQZ-DVECYGJZSA-N 0 0 435.568 5.863 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccc(C)cc3)c21 ZINC000009228182 569513513 /nfs/dbraw/zinc/51/35/13/569513513.db2.gz PVZVHETWTTWFAW-UHFFFAOYSA-N 0 0 428.536 5.529 50 0 IKAARN CCC(=O)Nc1c2ccccc2oc1C(=O)N(Cc1ccc(F)cc1)Cc1cccnc1 ZINC000009228450 569513620 /nfs/dbraw/zinc/51/36/20/569513620.db2.gz JEXMGJQEPHJIII-UHFFFAOYSA-N 0 0 431.467 5.158 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3cccc(Br)c3)cc12 ZINC000009229066 569513650 /nfs/dbraw/zinc/51/36/50/569513650.db2.gz KSDUDVSLAVSXMW-UHFFFAOYSA-N 0 0 447.376 5.999 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)c(OC)c1 ZINC000009229103 569513663 /nfs/dbraw/zinc/51/36/63/569513663.db2.gz OCERYQCGRYGSAS-UHFFFAOYSA-N 0 0 448.950 6.229 50 0 IKAARN COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)NC3CCCCCC3)s1)C2 ZINC000009229146 569513724 /nfs/dbraw/zinc/51/37/24/569513724.db2.gz LVQUBMUYNZFQEW-UHFFFAOYSA-N 0 0 449.576 6.048 50 0 IKAARN CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000009230414 569513738 /nfs/dbraw/zinc/51/37/38/569513738.db2.gz HEUOANQDAOOJNE-UHFFFAOYSA-N 0 0 441.325 5.214 50 0 IKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)c2cccs2)cc1 ZINC000009232403 569513782 /nfs/dbraw/zinc/51/37/82/569513782.db2.gz QXKNNIGZRYKLAE-UHFFFAOYSA-N 0 0 429.545 5.447 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(N2CCC(C)CC2)n1)CCC4 ZINC000009233047 569513877 /nfs/dbraw/zinc/51/38/77/569513877.db2.gz ZJVCWYRETKLEKY-UHFFFAOYSA-N 0 0 436.606 5.946 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccncc3)nc2c(C)c1 ZINC000009233656 569513885 /nfs/dbraw/zinc/51/38/85/569513885.db2.gz FSUKOXUTGIAENT-OAQYLSRUSA-N 0 0 439.496 5.164 50 0 IKAARN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000009234734 569513974 /nfs/dbraw/zinc/51/39/74/569513974.db2.gz PJBBCIZOPHJURI-FZSIALSZSA-N 0 0 441.814 5.324 50 0 IKAARN CC(C)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000009236583 569514171 /nfs/dbraw/zinc/51/41/71/569514171.db2.gz HHEOARFILKUCPW-DJKKODMXSA-N 0 0 436.360 6.265 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccs2)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000009238185 569514271 /nfs/dbraw/zinc/51/42/71/569514271.db2.gz FAWDQBDYUSUKAQ-UHFFFAOYSA-N 0 0 429.328 5.826 50 0 IKAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)o2)cc1 ZINC000009244643 569515081 /nfs/dbraw/zinc/51/50/81/569515081.db2.gz ZWKGLCNIIZWMFI-UHFFFAOYSA-N 0 0 431.517 5.533 50 0 IKAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(-c2ccco2)nc2ccccc21 ZINC000009244676 569515167 /nfs/dbraw/zinc/51/51/67/569515167.db2.gz LMHHGKGRKXZQKP-UHFFFAOYSA-N 0 0 425.488 5.373 50 0 IKAARN CC(=O)N(C)Cc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000009245056 569515235 /nfs/dbraw/zinc/51/52/35/569515235.db2.gz NQEIMPHHPKKAJU-UHFFFAOYSA-N 0 0 447.585 5.312 50 0 IKAARN O=C(c1ccc(OC(F)(F)F)cc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000009245472 569515342 /nfs/dbraw/zinc/51/53/42/569515342.db2.gz PREBOFPFUNSBJN-UHFFFAOYSA-N 0 0 437.805 5.093 50 0 IKAARN CC(=O)NCc1ccc(C(=O)CSc2nc(-c3cccs3)nc3ccccc32)s1 ZINC000009245708 569515409 /nfs/dbraw/zinc/51/54/09/569515409.db2.gz IQMPRISZEWKUQQ-UHFFFAOYSA-N 0 0 439.587 5.031 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2Br)oc2ccc3c(c12)C=CC(C)(C)O3 ZINC000009251057 569515756 /nfs/dbraw/zinc/51/57/56/569515756.db2.gz GJBGRCTVBKNMHB-UHFFFAOYSA-N 0 0 426.310 5.618 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000009250019 569515587 /nfs/dbraw/zinc/51/55/87/569515587.db2.gz MKYBDXXXZNRYMS-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)Nc1ccc(Br)cc1F ZINC000009251135 569515835 /nfs/dbraw/zinc/51/58/35/569515835.db2.gz NNRMXDCCDGEXGZ-UHFFFAOYSA-N 0 0 448.361 5.641 50 0 IKAARN CCOc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000009250131 569515668 /nfs/dbraw/zinc/51/56/68/569515668.db2.gz IQNYRJJGYPTQAX-UHFFFAOYSA-N 0 0 434.561 5.633 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2Cl)c1 ZINC000009250118 569515671 /nfs/dbraw/zinc/51/56/71/569515671.db2.gz SQAPMUIYUQAJLP-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN CC(C)Cn1c2ccccc2nc1SCc1nc2ccccc2n1Cc1ccccc1 ZINC000009250290 569515679 /nfs/dbraw/zinc/51/56/79/569515679.db2.gz HZDGKZSKANDWRQ-UHFFFAOYSA-N 0 0 426.589 6.383 50 0 IKAARN CCOc1ccc(-c2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C)cc1 ZINC000009250308 569515713 /nfs/dbraw/zinc/51/57/13/569515713.db2.gz OMGAOTJAIJZJQI-UHFFFAOYSA-N 0 0 435.574 5.822 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000009250241 569515718 /nfs/dbraw/zinc/51/57/18/569515718.db2.gz YTXXOPDOODPGSK-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CCCC3)cc1 ZINC000009251103 569515733 /nfs/dbraw/zinc/51/57/33/569515733.db2.gz BMXNVVGBPPBFIM-MRXNPFEDSA-N 0 0 437.565 5.477 50 0 IKAARN Cc1c(C(=O)NCCc2ccc(C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251343 569515798 /nfs/dbraw/zinc/51/57/98/569515798.db2.gz WYBMVJWGCVXCGV-UHFFFAOYSA-N 0 0 431.532 5.690 50 0 biogenic IKAARN CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2ccc(Br)cc2F)s1 ZINC000009251168 569515801 /nfs/dbraw/zinc/51/58/01/569515801.db2.gz KPWGPDXMDHPJQO-UHFFFAOYSA-N 0 0 444.374 5.202 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CC(=O)Nc3sc4c(c3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000009251173 569515804 /nfs/dbraw/zinc/51/58/04/569515804.db2.gz AZCBREDVGCRKQI-DEOSSOPVSA-N 0 0 445.588 5.819 50 0 IKAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)Nc1cccc(Br)c1 ZINC000009251134 569515834 /nfs/dbraw/zinc/51/58/34/569515834.db2.gz UVRSDFAXDYGNMZ-UHFFFAOYSA-N 0 0 430.371 5.502 50 0 IKAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)Nc1ccc(Br)cc1 ZINC000009251136 569515842 /nfs/dbraw/zinc/51/58/42/569515842.db2.gz MMGKFPVYIKDWKH-UHFFFAOYSA-N 0 0 430.371 5.502 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251113 569515843 /nfs/dbraw/zinc/51/58/43/569515843.db2.gz KPNWGHAVIIYAFB-MRXNPFEDSA-N 0 0 437.565 5.477 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCCC2)O4)cc1 ZINC000009251403 569515867 /nfs/dbraw/zinc/51/58/67/569515867.db2.gz LBQQPPKWQRVAJJ-UHFFFAOYSA-N 0 0 445.515 6.254 50 0 IKAARN Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 ZINC000009252151 569515987 /nfs/dbraw/zinc/51/59/87/569515987.db2.gz ZAKVDAUERKZSAH-UHFFFAOYSA-N 0 0 449.535 6.150 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(C)cc(-c3ccccc3)n2)cs1)c1cccc(C)c1 ZINC000009253024 569516128 /nfs/dbraw/zinc/51/61/28/569516128.db2.gz XIBMUIXNGXEBAP-UHFFFAOYSA-N 0 0 446.601 6.194 50 0 IKAARN Cc1nc2ccc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c54)CC3)cc2s1 ZINC000009254052 569516304 /nfs/dbraw/zinc/51/63/04/569516304.db2.gz KKRQKWNYESEXIU-UHFFFAOYSA-N 0 0 437.594 5.081 50 0 IKAARN O=C(CSc1ccc2c(c1)OCCCO2)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009254791 569516447 /nfs/dbraw/zinc/51/64/47/569516447.db2.gz FFAHMASVTVOLPZ-QFIPXVFZSA-N 0 0 429.538 5.046 50 0 IKAARN Cc1cc(C)n(-c2ccc(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cc2)n1 ZINC000009255126 569516488 /nfs/dbraw/zinc/51/64/88/569516488.db2.gz UGHUWZZOADDENR-UHFFFAOYSA-N 0 0 428.464 5.433 50 0 IKAARN C[C@H]1C[C@@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 ZINC000009255918 569516625 /nfs/dbraw/zinc/51/66/25/569516625.db2.gz LBNNTEYWLDZNQJ-YVEFUNNKSA-N 0 0 434.348 5.096 50 0 IKAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@@H](c1cccs1)c1ccccc1 ZINC000009256062 569516692 /nfs/dbraw/zinc/51/66/92/569516692.db2.gz ILGXDOPEQXLNCF-AUSIDOKSSA-N 0 0 433.602 5.401 50 0 IKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2cccs2)o1 ZINC000009256804 569516747 /nfs/dbraw/zinc/51/67/47/569516747.db2.gz HYUNKELBVUUNAF-MNOVXSKESA-N 0 0 430.580 5.888 50 0 IKAARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009260680 569516942 /nfs/dbraw/zinc/51/69/42/569516942.db2.gz LBYVOXXUBNXSEX-LJQANCHMSA-N 0 0 432.574 5.750 50 0 IKAARN COCc1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1-c1ccc(OC)c(OC)c1 ZINC000009261140 569516963 /nfs/dbraw/zinc/51/69/63/569516963.db2.gz CZNZOGNNBXGXJX-UHFFFAOYSA-N 0 0 443.425 5.246 50 0 IKAARN CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c21 ZINC000009266201 569517383 /nfs/dbraw/zinc/51/73/83/569517383.db2.gz DIPKXZGWKAMBPC-BYNJWEBRSA-N 0 0 443.543 6.679 50 0 IKAARN CCCSCCCNC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000009266310 569517401 /nfs/dbraw/zinc/51/74/01/569517401.db2.gz XIIVSLJLNMEWAX-UHFFFAOYSA-N 0 0 431.005 5.262 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)Nc3cccc(C)c3C)c12 ZINC000009266844 569517444 /nfs/dbraw/zinc/51/74/44/569517444.db2.gz JUBZNIWAJHBXKO-UHFFFAOYSA-N 0 0 444.966 6.437 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)cc(C(=O)NCCc3ccc(Cl)cc3)c12 ZINC000009266698 569517453 /nfs/dbraw/zinc/51/74/53/569517453.db2.gz PRTYDPUHTQAUAW-UHFFFAOYSA-N 0 0 444.966 5.541 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000009266612 569517483 /nfs/dbraw/zinc/51/74/83/569517483.db2.gz OHTMZEYYVYMRSP-UHFFFAOYSA-N 0 0 446.938 5.829 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccnc3)nc2c(C)c1 ZINC000009267151 569517530 /nfs/dbraw/zinc/51/75/30/569517530.db2.gz ZOCUZXZWQZWRLS-NRFANRHFSA-N 0 0 439.496 5.164 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000009271953 569517818 /nfs/dbraw/zinc/51/78/18/569517818.db2.gz QDRBZDXAKMTPQA-UHFFFAOYSA-N 0 0 432.907 5.427 50 0 IKAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc2[C@H](NC(=O)c2ccccc2)C(C)C)c1 ZINC000009271957 569517862 /nfs/dbraw/zinc/51/78/62/569517862.db2.gz GTDZNVZZFRKPLU-RUZDIDTESA-N 0 0 440.547 5.111 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000009273241 569518051 /nfs/dbraw/zinc/51/80/51/569518051.db2.gz GFOSQLKLEMWJOU-FQEVSTJZSA-N 0 0 437.282 5.553 50 0 IKAARN COCCCNc1nc(SC)nc2c3c4c(c(-c5ccco5)nc3sc21)CCC4 ZINC000009273836 569518136 /nfs/dbraw/zinc/51/81/36/569518136.db2.gz ZKYVSOLDGOVRNL-UHFFFAOYSA-N 0 0 426.567 5.159 50 0 IKAARN CC[C@@H](CO)Nc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009273971 569518143 /nfs/dbraw/zinc/51/81/43/569518143.db2.gz IFLDLYLFGNHLPU-LBPRGKRZSA-N 0 0 446.642 5.119 50 0 IKAARN CC[C@H](CO)Nc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009273972 569518179 /nfs/dbraw/zinc/51/81/79/569518179.db2.gz IFLDLYLFGNHLPU-GFCCVEGCSA-N 0 0 446.642 5.119 50 0 IKAARN O=c1c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c-2nn1Cc1cccc(Cl)c1 ZINC000009274757 569518217 /nfs/dbraw/zinc/51/82/17/569518217.db2.gz CASXHXOBGMCWLQ-UHFFFAOYSA-N 0 0 435.861 5.331 50 0 IKAARN Cc1ccc(C)c(Cn2nc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc-3c2=O)c1 ZINC000009274754 569518230 /nfs/dbraw/zinc/51/82/30/569518230.db2.gz NHBSTNPUDGEIIB-UHFFFAOYSA-N 0 0 429.470 5.294 50 0 IKAARN Cc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009274863 569518288 /nfs/dbraw/zinc/51/82/88/569518288.db2.gz CYKKYRFJAPKRHV-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009274860 569518290 /nfs/dbraw/zinc/51/82/90/569518290.db2.gz QVZJWBKZJMMXGL-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009274960 569518292 /nfs/dbraw/zinc/51/82/92/569518292.db2.gz SNYFLWHQCOKDCT-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000009274957 569518313 /nfs/dbraw/zinc/51/83/13/569518313.db2.gz VKFZOVQZXYQLII-UHFFFAOYSA-N 0 0 442.559 5.346 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009274944 569518323 /nfs/dbraw/zinc/51/83/23/569518323.db2.gz GGRKRICBLMPJGI-UHFFFAOYSA-N 0 0 448.950 5.648 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1sc2ccccc2c1Cl ZINC000009275147 569518347 /nfs/dbraw/zinc/51/83/47/569518347.db2.gz IYLFOMDKRXLMBQ-UHFFFAOYSA-N 0 0 434.702 5.620 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000009274991 569518351 /nfs/dbraw/zinc/51/83/51/569518351.db2.gz ROQOJYZUSBIQFX-UHFFFAOYSA-N 0 0 444.962 6.282 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(OC)cc3)c2C(=O)[O-])cc1 ZINC000009274983 569518362 /nfs/dbraw/zinc/51/83/62/569518362.db2.gz IPVZJZSTOHTAER-UHFFFAOYSA-N 0 0 442.559 5.557 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009274994 569518391 /nfs/dbraw/zinc/51/83/91/569518391.db2.gz HLWLBCDRUCQDOJ-UHFFFAOYSA-N 0 0 444.962 6.282 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C[C@@H](C)c3ccccc3)c2C(=O)[O-])cc1 ZINC000009275004 569518395 /nfs/dbraw/zinc/51/83/95/569518395.db2.gz LZAFPKRXSQGYST-OAQYLSRUSA-N 0 0 438.571 6.233 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2nc3cccnc3s2)c1 ZINC000009278827 569518509 /nfs/dbraw/zinc/51/85/09/569518509.db2.gz ZPAHMRMXYOSZEA-UHFFFAOYSA-N 0 0 430.316 5.683 50 0 IKAARN Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1 ZINC000009281328 569518548 /nfs/dbraw/zinc/51/85/48/569518548.db2.gz NCIUTMWDFUVRQE-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 ZINC000009281303 569518552 /nfs/dbraw/zinc/51/85/52/569518552.db2.gz HEXHIPURBOUKGU-XMMPIXPASA-N 0 0 440.506 6.539 50 0 IKAARN c1ccc(CSc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)cc1 ZINC000009281745 569518590 /nfs/dbraw/zinc/51/85/90/569518590.db2.gz ALVNQCOYHNIYFI-UHFFFAOYSA-N 0 0 439.609 7.078 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009281780 569518618 /nfs/dbraw/zinc/51/86/18/569518618.db2.gz CUUHNKSDTZCGIL-RDPSFJRHSA-N 0 0 434.879 5.320 50 0 IKAARN c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 ZINC000009281747 569518627 /nfs/dbraw/zinc/51/86/27/569518627.db2.gz BLNJOOVTPUGVIC-QFIPXVFZSA-N 0 0 427.467 5.625 50 0 IKAARN O=C(NC(Nc1cccnc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000009282619 569518639 /nfs/dbraw/zinc/51/86/39/569518639.db2.gz GZCSSNWRMHPDQD-UHFFFAOYSA-N 0 0 432.151 5.051 50 0 IKAARN O=C(c1ccccc1Br)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000009282122 569518679 /nfs/dbraw/zinc/51/86/79/569518679.db2.gz OBOMZEKYCKUFTR-UHFFFAOYSA-N 0 0 439.353 5.266 50 0 IKAARN CC[C@@H](C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000009282739 569518731 /nfs/dbraw/zinc/51/87/31/569518731.db2.gz KZJIIMLMFJSOOL-GFCCVEGCSA-N 0 0 428.414 5.130 50 0 IKAARN CCOc1ccccc1N(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000009284246 569519021 /nfs/dbraw/zinc/51/90/21/569519021.db2.gz JAUVKYMLDVBDNC-OAQYLSRUSA-N 0 0 432.501 5.200 50 0 IKAARN COc1ccc(CNC(=O)c2[nH]c3cc(C)ccc3c2Sc2ccc(Cl)cc2)cc1 ZINC000009288219 569519344 /nfs/dbraw/zinc/51/93/44/569519344.db2.gz COEOTFRMXKTQIN-UHFFFAOYSA-N 0 0 436.964 6.220 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N[C@@H]1CCCc3ccccc31)c2Sc1ccc(Cl)cc1 ZINC000009288246 569519346 /nfs/dbraw/zinc/51/93/46/569519346.db2.gz NIFZCHMJBSPRGZ-JOCHJYFZSA-N 0 0 447.003 7.088 50 0 IKAARN COc1cccc(CNC(=O)c2[nH]c3cc(C)ccc3c2Sc2ccccc2)c1OC ZINC000009288313 569519377 /nfs/dbraw/zinc/51/93/77/569519377.db2.gz PDJQKALBVKYOOU-UHFFFAOYSA-N 0 0 432.545 5.575 50 0 IKAARN O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000009288182 569519383 /nfs/dbraw/zinc/51/93/83/569519383.db2.gz ZLLZGJHWGAKFDJ-QHCPKHFHSA-N 0 0 449.432 5.371 50 0 IKAARN COc1cccc(CNC(=O)c2[nH]c3cc(C)ccc3c2Sc2ccc(Cl)cc2)c1 ZINC000009288236 569519388 /nfs/dbraw/zinc/51/93/88/569519388.db2.gz TUGNYZRRCOFVRR-UHFFFAOYSA-N 0 0 436.964 6.220 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N1C[C@@H](C)C[C@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000009288537 569519418 /nfs/dbraw/zinc/51/94/18/569519418.db2.gz CIGPFBMMZHNKTE-GJZGRUSLSA-N 0 0 428.985 6.099 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@H]1CCCc3ccccc31)c2Sc1ccc(C)cc1 ZINC000009288463 569519429 /nfs/dbraw/zinc/51/94/29/569519429.db2.gz YELMKLUVTNHJKY-QHCPKHFHSA-N 0 0 442.584 6.444 50 0 IKAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)COc2ccc3ccccc3c2)cc1 ZINC000009288849 569519438 /nfs/dbraw/zinc/51/94/38/569519438.db2.gz KMHSRSBDLQQBQN-UHFFFAOYSA-N 0 0 449.514 5.133 50 0 IKAARN Cc1cccc2nc(-c3cccc(Br)c3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000009289131 569519532 /nfs/dbraw/zinc/51/95/32/569519532.db2.gz RQZMSLLAZBSAFY-UHFFFAOYSA-N 0 0 436.309 5.587 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)c1 ZINC000009291533 569519863 /nfs/dbraw/zinc/51/98/63/569519863.db2.gz CZBDGCAQGMLOPG-VXKWHMMOSA-N 0 0 448.313 5.193 50 0 IKAARN Clc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009291885 569519910 /nfs/dbraw/zinc/51/99/10/569519910.db2.gz HQRPJHDTNALSAM-FPOVZHCZSA-N 0 0 438.756 6.599 50 0 IKAARN Cc1nn2c(nc(C)cc2SCc2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000009291985 569519937 /nfs/dbraw/zinc/51/99/37/569519937.db2.gz TTXXRVGAPRGVRN-UHFFFAOYSA-N 0 0 448.806 7.266 50 0 IKAARN Cc1ccc(C)c(CSc2ncnc3c2cnn3-c2ccc(Br)cc2)c1 ZINC000009292148 569519962 /nfs/dbraw/zinc/51/99/62/569519962.db2.gz VOKAULAEHJNOCX-UHFFFAOYSA-N 0 0 425.355 5.487 50 0 IKAARN Clc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009292731 569520071 /nfs/dbraw/zinc/52/00/71/569520071.db2.gz XXRXIRGVKWETJT-FPOVZHCZSA-N 0 0 438.756 6.599 50 0 IKAARN CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292689 569520089 /nfs/dbraw/zinc/52/00/89/569520089.db2.gz PKHQQOBSUHZADT-UPVQGACJSA-N 0 0 436.386 7.613 50 0 IKAARN CC(C)c1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292688 569520103 /nfs/dbraw/zinc/52/01/03/569520103.db2.gz PKHQQOBSUHZADT-ISKFKSNPSA-N 0 0 436.386 7.613 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000009293567 569520279 /nfs/dbraw/zinc/52/02/79/569520279.db2.gz LKJWKHLDQMOVML-FQEVSTJZSA-N 0 0 437.282 5.240 50 0 IKAARN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000009295680 569520365 /nfs/dbraw/zinc/52/03/65/569520365.db2.gz HTTYDAGNCFHHTH-ODLFYWEKSA-N 0 0 430.312 6.490 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000009296214 569520398 /nfs/dbraw/zinc/52/03/98/569520398.db2.gz MIDRNLMSTAPBTH-UHFFFAOYSA-N 0 0 446.597 5.609 50 0 IKAARN Cc1cccc(-n2c(=O)c3c(nc2SCCCc2ccccc2)sc2c3CCCC2)c1 ZINC000009296215 569520424 /nfs/dbraw/zinc/52/04/24/569520424.db2.gz BPYRIMTXORPXFV-UHFFFAOYSA-N 0 0 446.641 6.359 50 0 IKAARN Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 ZINC000009296375 569520471 /nfs/dbraw/zinc/52/04/71/569520471.db2.gz DUGHYAUOQORXCH-UHFFFAOYSA-N 0 0 442.588 5.400 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 ZINC000009299700 569520584 /nfs/dbraw/zinc/52/05/84/569520584.db2.gz BDXPHUVIJSGJLK-QYQHSDTDSA-N 0 0 440.286 5.625 50 0 IKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000009299691 569520607 /nfs/dbraw/zinc/52/06/07/569520607.db2.gz ZLNSWBZIVLEYQP-LBPRGKRZSA-N 0 0 434.841 6.177 50 0 IKAARN Brc1ccc([C@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 ZINC000009300959 569520678 /nfs/dbraw/zinc/52/06/78/569520678.db2.gz RZJCTHGSILXXSP-ZCQPIILRSA-N 0 0 433.349 6.843 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)c(Cl)c1 ZINC000009301930 569520813 /nfs/dbraw/zinc/52/08/13/569520813.db2.gz HGBVKKVTIPQZJQ-UHFFFAOYSA-N 0 0 435.141 7.654 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000009303617 569521038 /nfs/dbraw/zinc/52/10/38/569521038.db2.gz WWRJNWKACOOMPF-GBXCKJPGSA-N 0 0 438.886 5.739 50 0 IKAARN CCCNC(=O)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccc(C)cc1)n3CCCC2 ZINC000009304798 569521190 /nfs/dbraw/zinc/52/11/90/569521190.db2.gz RIUJDLULTVMKKO-UHFFFAOYSA-N 0 0 441.575 5.868 50 0 IKAARN Cc1cccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)c1 ZINC000009304555 569521193 /nfs/dbraw/zinc/52/11/93/569521193.db2.gz GXQRBJAJVQAXCL-DEOSSOPVSA-N 0 0 440.506 6.539 50 0 IKAARN CCOC(=O)C1=C(C)N(Cc2ccccc2Cl)C(=S)N[C@@H]1c1ccc(Cl)cc1 ZINC000009306242 569521322 /nfs/dbraw/zinc/52/13/22/569521322.db2.gz PQGPUZXIKKQMAD-LJQANCHMSA-N 0 0 435.376 5.262 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000009307155 569521400 /nfs/dbraw/zinc/52/14/00/569521400.db2.gz FGKGQCQUQUZJFO-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 ZINC000009307233 569521408 /nfs/dbraw/zinc/52/14/08/569521408.db2.gz PDJWMCGNNZZAIY-MRXNPFEDSA-N 0 0 433.531 5.240 50 0 IKAARN CCOCCCNc1nc(SC)nc2c3c4c(c(-c5ccco5)nc3sc21)CCC4 ZINC000009308324 569521450 /nfs/dbraw/zinc/52/14/50/569521450.db2.gz LHXNDKPNEAZLDP-UHFFFAOYSA-N 0 0 440.594 5.549 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000009308046 569521474 /nfs/dbraw/zinc/52/14/74/569521474.db2.gz LVVKSUAOUHHCBT-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009308002 569521483 /nfs/dbraw/zinc/52/14/83/569521483.db2.gz SKRQGBYQGOAREY-UHFFFAOYSA-N 0 0 428.989 5.647 50 0 IKAARN CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308805 569521486 /nfs/dbraw/zinc/52/14/86/569521486.db2.gz XYWBWHPBOCBHCB-LADGPHEKSA-N 0 0 446.392 7.069 50 0 IKAARN CCc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308831 569521489 /nfs/dbraw/zinc/52/14/89/569521489.db2.gz HCQQIVIDDKLUPG-GGAORHGYSA-N 0 0 432.365 6.508 50 0 IKAARN CCc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308834 569521496 /nfs/dbraw/zinc/52/14/96/569521496.db2.gz HCQQIVIDDKLUPG-JTHBVZDNSA-N 0 0 432.365 6.508 50 0 IKAARN COc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009308644 569521511 /nfs/dbraw/zinc/52/15/11/569521511.db2.gz MGLLAYOEPRNALP-FPOVZHCZSA-N 0 0 434.337 5.954 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2cccc(C)c2)cc1 ZINC000009308369 569521513 /nfs/dbraw/zinc/52/15/13/569521513.db2.gz UOBWQRKLDZEMCT-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN CCc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308832 569521515 /nfs/dbraw/zinc/52/15/15/569521515.db2.gz HCQQIVIDDKLUPG-FYYLOGMGSA-N 0 0 432.365 6.508 50 0 IKAARN CC(C)c1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308803 569521534 /nfs/dbraw/zinc/52/15/34/569521534.db2.gz XYWBWHPBOCBHCB-ISKFKSNPSA-N 0 0 446.392 7.069 50 0 IKAARN Cc1c(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CC[C@@H](C)C4)c2ccccc2n1C ZINC000009309304 569521566 /nfs/dbraw/zinc/52/15/66/569521566.db2.gz OXEMDAHOGIEVGQ-OAHLLOKOSA-N 0 0 429.516 5.288 50 0 IKAARN CCOc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009308853 569521581 /nfs/dbraw/zinc/52/15/81/569521581.db2.gz JHYBCWOKHOXHLG-IFMALSPDSA-N 0 0 448.364 6.344 50 0 IKAARN CN(C)c1ccc(C2c3c(=O)oc4ccccc4c3Oc3c4ccccc4oc(=O)c32)cc1 ZINC000009311150 569521751 /nfs/dbraw/zinc/52/17/51/569521751.db2.gz OEUQVYWIGRFTEZ-UHFFFAOYSA-N 0 0 437.451 5.251 50 0 IKAARN CC1(C)[C@H](C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)[C@H]1C=C(Cl)Cl ZINC000009312219 569521838 /nfs/dbraw/zinc/52/18/38/569521838.db2.gz IHUFGXDGWSHTLL-RISCZKNCSA-N 0 0 442.393 5.043 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009313603 569521894 /nfs/dbraw/zinc/52/18/94/569521894.db2.gz CDBSTZLXUKKQCY-QHCPKHFHSA-N 0 0 444.604 5.785 50 0 IKAARN COc1ccc(-c2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cs2)cc1OC ZINC000009314372 569521994 /nfs/dbraw/zinc/52/19/94/569521994.db2.gz ASTOKARAFWCDLG-GOSISDBHSA-N 0 0 430.595 5.070 50 0 IKAARN O=C(CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1)c1ccc[nH]1 ZINC000009314690 569522031 /nfs/dbraw/zinc/52/20/31/569522031.db2.gz HGNQCTXYSDVYEQ-UHFFFAOYSA-N 0 0 446.919 5.908 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1 ZINC000009315431 569522117 /nfs/dbraw/zinc/52/21/17/569522117.db2.gz DHRSNSCYEHMFLZ-UHFFFAOYSA-N 0 0 444.727 5.436 50 0 IKAARN CCOc1ccc(-c2nc(NC(=O)CSc3ccc(NC(C)=O)cc3)sc2C)cc1 ZINC000009315494 569522126 /nfs/dbraw/zinc/52/21/26/569522126.db2.gz VENNQLVFKOVXAN-UHFFFAOYSA-N 0 0 441.578 5.206 50 0 IKAARN O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009315541 569522129 /nfs/dbraw/zinc/52/21/29/569522129.db2.gz JLVOQBZNWIGIRC-INIZCTEOSA-N 0 0 439.755 5.752 50 0 IKAARN C[C@@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009316447 569522241 /nfs/dbraw/zinc/52/22/41/569522241.db2.gz NYDPTPDSUCASRF-CYBMUJFWSA-N 0 0 435.530 5.206 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn32)cc1 ZINC000009316935 569522286 /nfs/dbraw/zinc/52/22/86/569522286.db2.gz DFGYVHPNCGQZOF-UHFFFAOYSA-N 0 0 433.895 5.057 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2F)c2ccccn2c1C(=O)c1ccc2c(c1)CCCC2 ZINC000009316998 569522312 /nfs/dbraw/zinc/52/23/12/569522312.db2.gz MSXNYKVAFYEKCO-UHFFFAOYSA-N 0 0 427.479 5.023 50 0 IKAARN CC(=O)c1ccc(C(=O)N(Cc2ccncc2)c2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000009317714 569522352 /nfs/dbraw/zinc/52/23/52/569522352.db2.gz NAXRNRSSBDWQOD-UHFFFAOYSA-N 0 0 435.936 5.703 50 0 IKAARN COCCCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1Cl ZINC000009317706 569522388 /nfs/dbraw/zinc/52/23/88/569522388.db2.gz XRJXJHYVICFNIM-UHFFFAOYSA-N 0 0 440.956 5.582 50 0 IKAARN O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000009317943 569522440 /nfs/dbraw/zinc/52/24/40/569522440.db2.gz DRXPOJKZZDGFFV-UHFFFAOYSA-N 0 0 448.828 5.629 50 0 IKAARN COc1ccc(NC(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000009324889 569522715 /nfs/dbraw/zinc/52/27/15/569522715.db2.gz YNHXCIQKRQQFIA-UHFFFAOYSA-N 0 0 436.946 5.145 50 0 IKAARN Cc1ccc([C@@H](c2ccc(C)cc2)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)o1 ZINC000009327473 569522735 /nfs/dbraw/zinc/52/27/35/569522735.db2.gz DXJDCUUOVWECFO-SANMLTNESA-N 0 0 431.557 6.186 50 0 IKAARN Cc1ccc(C(=O)Nc2c(-c3cccc(C(F)(F)F)c3)c(=O)c3ccccc3n2C)cc1 ZINC000009327908 569522749 /nfs/dbraw/zinc/52/27/49/569522749.db2.gz HCEWQCZGIWMIEL-UHFFFAOYSA-N 0 0 436.433 5.785 50 0 IKAARN Cc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc3c(c2)OCO3)cc1 ZINC000009327713 569522770 /nfs/dbraw/zinc/52/27/70/569522770.db2.gz TVMVXDGZQVSCDZ-UHFFFAOYSA-N 0 0 433.847 5.403 50 0 IKAARN O=C(Cc1ccccc1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2 ZINC000009327716 569522772 /nfs/dbraw/zinc/52/27/72/569522772.db2.gz MTFKRAMEGVBVHM-UHFFFAOYSA-N 0 0 433.847 5.023 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc21)c1ccc(F)cc1 ZINC000009328061 569522814 /nfs/dbraw/zinc/52/28/14/569522814.db2.gz JAFVBKKHTSJQED-UHFFFAOYSA-N 0 0 425.484 6.473 50 0 IKAARN CC(=O)N1N=C(COc2ccc(Cl)cc2C)O[C@@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000009586206 569549669 /nfs/dbraw/zinc/54/96/69/569549669.db2.gz CPIPEYQWUJOQLJ-IBGZPJMESA-N 0 0 427.715 5.399 50 0 IKAARN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000009335559 569523370 /nfs/dbraw/zinc/52/33/70/569523370.db2.gz BSCUXQPXYKSCIZ-MRXNPFEDSA-N 0 0 449.963 5.009 50 0 IKAARN CCC(=O)N(c1nnc(SCc2csc(-c3ccc(CC)cc3)n2)s1)C1CC1 ZINC000009337409 569523507 /nfs/dbraw/zinc/52/35/07/569523507.db2.gz WVSCIQRQFPLUOS-UHFFFAOYSA-N 0 0 430.624 5.422 50 0 IKAARN Cc1nc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n(C2CCCC2)c1C ZINC000009338028 569523663 /nfs/dbraw/zinc/52/36/63/569523663.db2.gz OFPWJCAVNOHQJT-INIZCTEOSA-N 0 0 428.627 5.536 50 0 IKAARN Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000009339114 569523714 /nfs/dbraw/zinc/52/37/14/569523714.db2.gz PDSVGQUIOKMEAN-SANMLTNESA-N 0 0 439.515 5.637 50 0 IKAARN COc1ccc(-c2c(N)oc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 ZINC000009341244 569523885 /nfs/dbraw/zinc/52/38/85/569523885.db2.gz OQUSCNJROJDOOY-UHFFFAOYSA-N 0 0 442.298 5.937 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000009343975 569523953 /nfs/dbraw/zinc/52/39/53/569523953.db2.gz LSJFRPSVYUWCID-UHFFFAOYSA-N 0 0 442.515 6.244 50 0 IKAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3ccccc32)CC1 ZINC000069926113 569523984 /nfs/dbraw/zinc/52/39/84/569523984.db2.gz SEGSWJUTGWRGFZ-DEOSSOPVSA-N 0 0 429.568 5.323 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000009345021 569524083 /nfs/dbraw/zinc/52/40/83/569524083.db2.gz HATFFYOLRIZRIB-UHFFFAOYSA-N 0 0 446.506 6.913 50 0 IKAARN Cc1ccc2sc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nc2c1C ZINC000009345555 569524169 /nfs/dbraw/zinc/52/41/69/569524169.db2.gz INYKWJWGPMCJNA-UHFFFAOYSA-N 0 0 443.572 5.668 50 0 IKAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)Nc1c(Cl)cccc1C(F)(F)F ZINC000009349350 569524734 /nfs/dbraw/zinc/52/47/34/569524734.db2.gz OLMUDVDCVLVIGZ-UHFFFAOYSA-N 0 0 430.814 5.014 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1Oc1ccccc1 ZINC000009354677 569525077 /nfs/dbraw/zinc/52/50/77/569525077.db2.gz VZJFAVDKKWOGRQ-UHFFFAOYSA-N 0 0 438.508 6.714 50 0 IKAARN Oc1ccc2ccccc2c1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1 ZINC000009354593 569525116 /nfs/dbraw/zinc/52/51/16/569525116.db2.gz OIDUONXNMSCLHN-UHFFFAOYSA-N 0 0 426.313 7.190 50 0 IKAARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccccc1Oc1ccccc1 ZINC000009354676 569525127 /nfs/dbraw/zinc/52/51/27/569525127.db2.gz SFXSOJNFSCKQLH-UHFFFAOYSA-N 0 0 425.307 6.103 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccccc1Cl ZINC000009355052 569525207 /nfs/dbraw/zinc/52/52/07/569525207.db2.gz KFMXQLFXMDMAMG-UHFFFAOYSA-N 0 0 443.315 5.323 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1cc(OC)ccc1OC ZINC000009355517 569525221 /nfs/dbraw/zinc/52/52/21/569525221.db2.gz UXCOWMVEVJAVGX-HHHXNRCGSA-N 0 0 440.543 6.197 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1CCc1ccccc1 ZINC000009355551 569525229 /nfs/dbraw/zinc/52/52/29/569525229.db2.gz ZPKAYISHDATSDZ-GDLZYMKVSA-N 0 0 446.525 6.762 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009355431 569525232 /nfs/dbraw/zinc/52/52/32/569525232.db2.gz FYOSQKPOQONCFE-LJAQVGFWSA-N 0 0 446.525 7.028 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009355565 569525243 /nfs/dbraw/zinc/52/52/43/569525243.db2.gz GANIMWIHAAMTEX-RUZDIDTESA-N 0 0 449.381 7.487 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009355542 569525248 /nfs/dbraw/zinc/52/52/48/569525248.db2.gz CKFLBURPIRFVSR-SLQAJWMNSA-N 0 0 446.525 7.280 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCCOC(C)C)cc1 ZINC000009355434 569525249 /nfs/dbraw/zinc/52/52/49/569525249.db2.gz LFSJMNAZRKZGAB-MUUNZHRXSA-N 0 0 438.571 6.504 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000009355428 569525255 /nfs/dbraw/zinc/52/52/55/569525255.db2.gz BIOUJXNEKJAQPZ-URAOTHONSA-N 0 0 442.562 7.450 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1Cc1ccccc1 ZINC000009355541 569525257 /nfs/dbraw/zinc/52/52/57/569525257.db2.gz NJRLKOIESPZYBV-MUUNZHRXSA-N 0 0 432.498 6.719 50 0 IKAARN COc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1-c1ccccc1 ZINC000069950213 569525322 /nfs/dbraw/zinc/52/53/22/569525322.db2.gz UHDRBGNGKDIRPN-UHFFFAOYSA-N 0 0 440.543 5.059 50 0 IKAARN Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccccc1 ZINC000009356609 569525510 /nfs/dbraw/zinc/52/55/10/569525510.db2.gz KSIWDOVVUBJEEJ-HSZRJFAPSA-N 0 0 442.478 5.936 50 0 IKAARN Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccccc1 ZINC000009356612 569525554 /nfs/dbraw/zinc/52/55/54/569525554.db2.gz KSIWDOVVUBJEEJ-QHCPKHFHSA-N 0 0 442.478 5.936 50 0 IKAARN Brc1ccc([C@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 ZINC000009356960 569525570 /nfs/dbraw/zinc/52/55/70/569525570.db2.gz RZJCTHGSILXXSP-NEHNOQQPSA-N 0 0 433.349 6.843 50 0 IKAARN Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@H]3c1ccccc1 ZINC000009356564 569525571 /nfs/dbraw/zinc/52/55/71/569525571.db2.gz ILIQKOIBOWSXGS-HSZRJFAPSA-N 0 0 442.478 5.936 50 0 IKAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Br)c1 ZINC000009358148 569525631 /nfs/dbraw/zinc/52/56/31/569525631.db2.gz PKWJCGTXSLOVLI-UHFFFAOYSA-N 0 0 447.332 5.446 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cc(C)ccc2C)c1 ZINC000009361070 569525790 /nfs/dbraw/zinc/52/57/90/569525790.db2.gz QXPPUQVEJBPCFJ-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c(OC)c1 ZINC000009361253 569525837 /nfs/dbraw/zinc/52/58/37/569525837.db2.gz QSXSSCPEQSUJDL-VWLOTQADSA-N 0 0 443.478 5.291 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cc2ccccc2oc1=O ZINC000009367839 569526549 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ZINC000009409107 569530948 /nfs/dbraw/zinc/53/09/48/569530948.db2.gz IWMYWKLDQZIAKA-RUZDIDTESA-N 0 0 447.579 5.440 50 0 IKAARN CCCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 ZINC000009409275 569531007 /nfs/dbraw/zinc/53/10/07/569531007.db2.gz YAEKDSJXZKZLSM-AREMUKBSSA-N 0 0 447.579 6.087 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1OC ZINC000009409257 569531011 /nfs/dbraw/zinc/53/10/11/569531011.db2.gz UQIRHTJVJTVLAR-RUZDIDTESA-N 0 0 449.551 5.315 50 0 IKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009409263 569531029 /nfs/dbraw/zinc/53/10/29/569531029.db2.gz YCZVIVXSIWFFNP-RUZDIDTESA-N 0 0 433.552 5.553 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccc(OC)c(OC)c3)c(O)c2)cc1 ZINC000009409473 569531079 /nfs/dbraw/zinc/53/10/79/569531079.db2.gz DBNZLOVNKYFJOB-UHFFFAOYSA-N 0 0 443.499 6.262 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(/C=C/c3cccs3)oc2NCc2cccnc2)cc1 ZINC000009409671 569531114 /nfs/dbraw/zinc/53/11/14/569531114.db2.gz 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ZINC000009410258 569531349 /nfs/dbraw/zinc/53/13/49/569531349.db2.gz FGMZLBZHHOVKEX-UHFFFAOYSA-N 0 0 438.483 5.350 50 0 IKAARN CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O ZINC000009410306 569531351 /nfs/dbraw/zinc/53/13/51/569531351.db2.gz BCKTXXMHUZFPDD-UHFFFAOYSA-N 0 0 442.515 6.236 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000009410954 569531466 /nfs/dbraw/zinc/53/14/66/569531466.db2.gz RGTTZKCPACKALY-UHFFFAOYSA-N 0 0 426.505 5.119 50 0 IKAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)c2ccccc2Cl)c1-c1nc2ccccc2[nH]1 ZINC000009410861 569531500 /nfs/dbraw/zinc/53/15/00/569531500.db2.gz LJPUXPQYMBESFE-UHFFFAOYSA-N 0 0 444.922 6.195 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)c1 ZINC000009411294 569531505 /nfs/dbraw/zinc/53/15/05/569531505.db2.gz XSMGKBHFWGBIHL-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)n1Cc1ccccc1 ZINC000009412510 569531613 /nfs/dbraw/zinc/53/16/13/569531613.db2.gz KGQUFSATJGFEHP-DEOSSOPVSA-N 0 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IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Br)cc1 ZINC000009414313 569532034 /nfs/dbraw/zinc/53/20/34/569532034.db2.gz BFTYCOSUNXOLRF-UHFFFAOYSA-N 0 0 449.304 6.008 50 0 IKAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1ccccc1C(F)(F)F ZINC000009414604 569532038 /nfs/dbraw/zinc/53/20/38/569532038.db2.gz YSTCXSKXGZICPL-IBGZPJMESA-N 0 0 446.450 5.507 50 0 IKAARN O=c1c2[nH]c3ccccc3c2nc(SCc2cccc(F)c2)n1-c1cccc(Cl)c1 ZINC000009416444 569532314 /nfs/dbraw/zinc/53/23/14/569532314.db2.gz MIZZOCGVCKMQRH-UHFFFAOYSA-N 0 0 435.911 5.952 50 0 IKAARN Cc1ccc(C(=O)c2sc3nc(C(F)(F)F)c(C(=O)c4cccs4)cc3c2N)cc1 ZINC000009420139 569532588 /nfs/dbraw/zinc/53/25/88/569532588.db2.gz XAAHYPXQUSJZKK-UHFFFAOYSA-N 0 0 446.475 5.729 50 0 IKAARN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4cncc(Br)c4)n3)c2c1 ZINC000009420143 569532616 /nfs/dbraw/zinc/53/26/16/569532616.db2.gz TVFNMIBRZVKEDC-UHFFFAOYSA-N 0 0 443.326 5.018 50 0 IKAARN CSc1ccc([C@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000009419822 569532617 /nfs/dbraw/zinc/53/26/17/569532617.db2.gz LNEYZFDJCXEEOF-LJQANCHMSA-N 0 0 444.423 6.622 50 0 IKAARN C[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009420663 569532638 /nfs/dbraw/zinc/53/26/38/569532638.db2.gz ZHZUSMRGTDOSAQ-CQSZACIVSA-N 0 0 430.895 5.444 50 0 IKAARN CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCc1ccc(OC)cc1 ZINC000009421577 569532807 /nfs/dbraw/zinc/53/28/07/569532807.db2.gz WLYGPCLIXYVLJX-UHFFFAOYSA-N 0 0 430.552 5.638 50 0 IKAARN CCCSc1nc2sc3c(c2c(SCC(=O)c2ccccc2)n1)CC(C)(C)OC3 ZINC000009424457 569533100 /nfs/dbraw/zinc/53/31/00/569533100.db2.gz SWVBKPGJTTURFB-UHFFFAOYSA-N 0 0 444.647 6.020 50 0 IKAARN CC1(C)Cc2nc3sc4c(ncn(Cc5c(Cl)cccc5Cl)c4=O)c3cc2CO1 ZINC000009424219 569533106 /nfs/dbraw/zinc/53/31/06/569533106.db2.gz YWBRHKALFPXNLR-UHFFFAOYSA-N 0 0 446.359 5.213 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1cc(OC)ccc1OC ZINC000009426286 569533240 /nfs/dbraw/zinc/53/32/40/569533240.db2.gz LTVOIRNNGOCVCF-SANMLTNESA-N 0 0 426.516 5.807 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccc(Cl)cc1Cl ZINC000009426299 569533265 /nfs/dbraw/zinc/53/32/65/569533265.db2.gz ZTKPNWSSNFFBND-RUZDIDTESA-N 0 0 449.381 7.107 50 0 IKAARN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2F)cc1OC ZINC000009426360 569533280 /nfs/dbraw/zinc/53/32/80/569533280.db2.gz ROWXVFOMJXEEJC-HSZRJFAPSA-N 0 0 431.467 5.193 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009426296 569533283 /nfs/dbraw/zinc/53/32/83/569533283.db2.gz LRLPCOSCNDTDAO-DEOSSOPVSA-N 0 0 435.354 7.097 50 0 IKAARN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2F)cc1OC ZINC000009426359 569533284 /nfs/dbraw/zinc/53/32/84/569533284.db2.gz ROWXVFOMJXEEJC-QHCPKHFHSA-N 0 0 431.467 5.193 50 0 IKAARN Cc1cccc(-c2noc(CN(C(=O)c3ccc(Br)o3)C3CCCCC3)n2)c1 ZINC000009426403 569533294 /nfs/dbraw/zinc/53/32/94/569533294.db2.gz ATIQPKALELMGHL-UHFFFAOYSA-N 0 0 444.329 5.376 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cc(Br)cc(Br)c1OC ZINC000009427034 569533318 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Cc1ccc(S(=O)(=O)NCC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 ZINC000009478236 569539337 /nfs/dbraw/zinc/53/93/37/569539337.db2.gz LLSGPWQVIRWBQM-HSZRJFAPSA-N 0 0 436.017 5.135 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000009478580 569539378 /nfs/dbraw/zinc/53/93/78/569539378.db2.gz YMHJAGKPYKSYQY-CQSZACIVSA-N 0 0 449.605 5.012 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1Cl ZINC000009478569 569539381 /nfs/dbraw/zinc/53/93/81/569539381.db2.gz MEFHCRRQKYQKLS-HXUWFJFHSA-N 0 0 438.984 5.924 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c(C)n1C(C)C ZINC000009478616 569539386 /nfs/dbraw/zinc/53/93/86/569539386.db2.gz SPXBYKPXYVVRNF-UHFFFAOYSA-N 0 0 433.581 5.736 50 0 IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000009480102 569539397 /nfs/dbraw/zinc/53/93/97/569539397.db2.gz KYGQZZBPSQZQTN-UHFFFAOYSA-N 0 0 432.332 5.976 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009480313 569539400 /nfs/dbraw/zinc/53/94/00/569539400.db2.gz MSIAFYHWHMGNHG-UHFFFAOYSA-N 0 0 436.625 5.919 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000009479190 569539406 /nfs/dbraw/zinc/53/94/06/569539406.db2.gz BHOSHDUDRDZOKU-UHFFFAOYSA-N 0 0 444.347 5.162 50 0 IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000009479346 569539426 /nfs/dbraw/zinc/53/94/26/569539426.db2.gz FDVDNHYMVLYUKU-UHFFFAOYSA-N 0 0 432.332 5.976 50 0 IKAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2cn(C)c3ccccc23)cc1 ZINC000009489803 569540000 /nfs/dbraw/zinc/54/00/00/569540000.db2.gz FXMCJQJOWVGJPW-JOCHJYFZSA-N 0 0 445.613 6.018 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2c[nH]c3ccccc32)cc1 ZINC000009489828 569540015 /nfs/dbraw/zinc/54/00/15/569540015.db2.gz YICNHZTYNMGKMR-NRFANRHFSA-N 0 0 447.585 5.708 50 0 IKAARN COc1cc2nc(/C=C/c3ccccc3F)n(-c3ccc(C)cc3C)c(=O)c2cc1OC ZINC000009489917 569540067 /nfs/dbraw/zinc/54/00/67/569540067.db2.gz ZOWSBOVEHUEKDD-ZRDIBKRKSA-N 0 0 430.479 5.329 50 0 IKAARN COC(=O)c1ccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)cc1 ZINC000009489892 569540072 /nfs/dbraw/zinc/54/00/72/569540072.db2.gz VYZIOFVQNKBSJN-OBGWFSINSA-N 0 0 432.479 5.496 50 0 IKAARN CC(C)(C)c1ccc(/C=C/c2nc3cc(Cl)ccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000009489921 569540149 /nfs/dbraw/zinc/54/01/49/569540149.db2.gz SUYVMKUWMLYMPT-GIDUJCDVSA-N 0 0 432.926 6.646 50 0 IKAARN Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)ccc2n1-c1ccc(Br)cc1 ZINC000009490402 569540210 /nfs/dbraw/zinc/54/02/10/569540210.db2.gz KHLMXLDPTMYOCK-QEEYODRMSA-N 0 0 440.385 5.651 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3coc4ccc5ccccc5c34)n2)cc1 ZINC000009491411 569540364 /nfs/dbraw/zinc/54/03/64/569540364.db2.gz RHDPJTFVPZVESG-UHFFFAOYSA-N 0 0 441.512 5.849 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009491457 569540391 /nfs/dbraw/zinc/54/03/91/569540391.db2.gz SXPMZNQIJMSYNF-DYESRHJHSA-N 0 0 444.560 5.202 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009491819 569540458 /nfs/dbraw/zinc/54/04/58/569540458.db2.gz WENMJXDIXYHWFV-UHFFFAOYSA-N 0 0 441.575 5.269 50 0 IKAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000009492236 569540501 /nfs/dbraw/zinc/54/05/01/569540501.db2.gz KPFKFFFNWUEWLI-UHFFFAOYSA-N 0 0 428.473 5.008 50 0 IKAARN CC(C)c1ccccc1-n1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1cccnc1 ZINC000009492214 569540526 /nfs/dbraw/zinc/54/05/26/569540526.db2.gz CYTQJCQLMLWKPR-OALUTQOASA-N 0 0 449.624 5.049 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nc2ccccc12 ZINC000009492059 569540540 /nfs/dbraw/zinc/54/05/40/569540540.db2.gz YZMKUJIBHMJTPK-UHFFFAOYSA-N 0 0 443.576 5.259 50 0 IKAARN c1ccc(-c2c3c4c(sc3nc3c2[C@H](c2ccccc2)Oc2ccccc2-3)CCCC4)cc1 ZINC000009492828 569540656 /nfs/dbraw/zinc/54/06/56/569540656.db2.gz CSEKHIFNYFDQSQ-LJAQVGFWSA-N 0 0 445.587 7.991 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3F)nn(CN(C)CCc3ccccn3)c2=S)cc1 ZINC000009492659 569540657 /nfs/dbraw/zinc/54/06/57/569540657.db2.gz VVCRMYVZQKNXTJ-UHFFFAOYSA-N 0 0 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Cc1ccc(NC(=O)[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000009516677 569543505 /nfs/dbraw/zinc/54/35/05/569543505.db2.gz PIJPPFAFFBOTRW-AREMUKBSSA-N 0 0 441.575 5.091 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1c(Cl)cccc1Cl ZINC000009516410 569543521 /nfs/dbraw/zinc/54/35/21/569543521.db2.gz PPMILXJRUBQWPR-JTQLQIEISA-N 0 0 439.393 5.768 50 0 IKAARN O=C1c2ccccc2N[C@H](c2csc(-c3cccc(Br)c3)n2)N1C1CC1 ZINC000009516929 569543591 /nfs/dbraw/zinc/54/35/91/569543591.db2.gz SLCUVNUVEHIYCH-SFHVURJKSA-N 0 0 426.339 5.302 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1Cl ZINC000009517734 569543746 /nfs/dbraw/zinc/54/37/46/569543746.db2.gz BAXSVDAPLKZNDQ-UHFFFAOYSA-N 0 0 444.347 5.162 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000009518321 569544036 /nfs/dbraw/zinc/54/40/36/569544036.db2.gz CDESWQFIGPAWDI-UHFFFAOYSA-N 0 0 434.835 5.320 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009518379 569544044 /nfs/dbraw/zinc/54/40/44/569544044.db2.gz PWOALERBQCOHNS-JLHYYAGUSA-N 0 0 434.854 6.130 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)c1cccc2ccccc21 ZINC000009518324 569544054 /nfs/dbraw/zinc/54/40/54/569544054.db2.gz UZTYIYDCTRRHCN-UHFFFAOYSA-N 0 0 440.886 6.744 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)c1 ZINC000009518414 569544059 /nfs/dbraw/zinc/54/40/59/569544059.db2.gz ZTXABFUXCGMVTL-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)c1 ZINC000009518416 569544070 /nfs/dbraw/zinc/54/40/70/569544070.db2.gz QIBVLPSZRBQMCA-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN O=C(CC1CCCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009518504 569544072 /nfs/dbraw/zinc/54/40/72/569544072.db2.gz HKOUVTCMSXILID-UHFFFAOYSA-N 0 0 434.492 5.365 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1C ZINC000009518402 569544076 /nfs/dbraw/zinc/54/40/76/569544076.db2.gz IIHAXEFSSZFQDS-UHFFFAOYSA-N 0 0 428.444 5.283 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3ccccc3c2)cc1C ZINC000009518408 569544088 /nfs/dbraw/zinc/54/40/88/569544088.db2.gz JIIJHOWRJPCUJW-UHFFFAOYSA-N 0 0 434.495 6.707 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)c1ccccc1Cl ZINC000009518388 569544105 /nfs/dbraw/zinc/54/41/05/569544105.db2.gz KERROWBAJCWIMQ-UHFFFAOYSA-N 0 0 426.806 5.869 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)c1 ZINC000009518426 569544113 /nfs/dbraw/zinc/54/41/13/569544113.db2.gz BSFKPPZBSGPRLK-UHFFFAOYSA-N 0 0 448.450 5.023 50 0 IKAARN Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccc(Br)cc3C)nn1C)CS2 ZINC000009527777 569544636 /nfs/dbraw/zinc/54/46/36/569544636.db2.gz OLGSUIOSPDECHO-UHFFFAOYSA-N 0 0 428.355 5.324 50 0 IKAARN CCN(CCCNc1nc(-c2ccc(OC)cc2)nc2ccccc21)c1cccc(C)c1 ZINC000009527033 569544656 /nfs/dbraw/zinc/54/46/56/569544656.db2.gz ADYLKSSPHGXVRX-UHFFFAOYSA-N 0 0 426.564 5.942 50 0 IKAARN Cc1cccc(N2CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1C ZINC000009527107 569544676 /nfs/dbraw/zinc/54/46/76/569544676.db2.gz DHLJIWIWOZAYRW-UHFFFAOYSA-N 0 0 428.967 5.894 50 0 IKAARN Cc1ccc(-n2cc(-c3ccc4c(c3)OCO4)nc2SCC(=O)Nc2ccccc2)cc1 ZINC000009529458 569544823 /nfs/dbraw/zinc/54/48/23/569544823.db2.gz QAKXGFFSNGMXKN-UHFFFAOYSA-N 0 0 443.528 5.307 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C)cc1 ZINC000009529346 569544824 /nfs/dbraw/zinc/54/48/24/569544824.db2.gz GLVIPJOOFMBLHO-UHFFFAOYSA-N 0 0 429.545 5.587 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2C)c1C ZINC000009529434 569544837 /nfs/dbraw/zinc/54/48/37/569544837.db2.gz CLZVNFBJIKKXEL-UHFFFAOYSA-N 0 0 427.573 6.195 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000009529363 569544850 /nfs/dbraw/zinc/54/48/50/569544850.db2.gz RXEUNCMQZISVIW-UHFFFAOYSA-N 0 0 427.573 6.195 50 0 IKAARN CC(=O)N1N=C(CCn2c3ccccc3c3ccccc32)O[C@H]1c1ccc(C(C)C)cc1 ZINC000009529706 569544876 /nfs/dbraw/zinc/54/48/76/569544876.db2.gz SFOHHXLPKFVMOG-MHZLTWQESA-N 0 0 425.532 6.199 50 0 IKAARN O=c1c2sc3ccccc3c2nc(SCc2cccc(Cl)c2)n1Cc1cccnc1 ZINC000009530385 569545024 /nfs/dbraw/zinc/54/50/24/569545024.db2.gz QCCWBKKSGOUASZ-UHFFFAOYSA-N 0 0 449.988 6.000 50 0 IKAARN Cc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000009530388 569545047 /nfs/dbraw/zinc/54/50/47/569545047.db2.gz DZSSVJSEODRUMN-UHFFFAOYSA-N 0 0 448.569 5.446 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000009531301 569545126 /nfs/dbraw/zinc/54/51/26/569545126.db2.gz MUCKECRIZRAIKH-PZJWPPBQSA-N 0 0 440.591 6.723 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2ccc(OC)cc2)c1C(=O)[O-] ZINC000009531506 569545145 /nfs/dbraw/zinc/54/51/45/569545145.db2.gz ZIDRQPJLHPOBOW-UHFFFAOYSA-N 0 0 444.531 5.085 50 0 IKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009531424 569545149 /nfs/dbraw/zinc/54/51/49/569545149.db2.gz BBVPBXUBCRUPRF-UHFFFAOYSA-N 0 0 434.923 5.340 50 0 IKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]CCc3ccccc3Cl)c2C(=O)[O-])cc1 ZINC000009531480 569545170 /nfs/dbraw/zinc/54/51/70/569545170.db2.gz RIVMLESTBPISDL-UHFFFAOYSA-N 0 0 448.950 5.382 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009531341 569545187 /nfs/dbraw/zinc/54/51/87/569545187.db2.gz BASFBBRLUVIYOV-UHFFFAOYSA-N 0 0 434.536 5.539 50 0 IKAARN CCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000009531686 569545224 /nfs/dbraw/zinc/54/52/24/569545224.db2.gz CCLGGXSOBXGPSH-UHFFFAOYSA-N 0 0 435.369 6.086 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009531737 569545232 /nfs/dbraw/zinc/54/52/32/569545232.db2.gz BPFVHOTZSIFLAS-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN COc1ccc2c(C[NH2+]CCc3ccccc3C)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009532058 569545240 /nfs/dbraw/zinc/54/52/40/569545240.db2.gz HKFBOSJPBZIEQE-UHFFFAOYSA-N 0 0 446.522 5.176 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]Cc1cccc(OC)c1 ZINC000009531780 569545257 /nfs/dbraw/zinc/54/52/57/569545257.db2.gz VFBGZEIOEHFZOZ-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009532282 569545303 /nfs/dbraw/zinc/54/53/03/569545303.db2.gz DKUNBBLDQYNBLJ-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]C3CCC(C)CC3)c2C(=O)[O-])cc1 ZINC000009532313 569545308 /nfs/dbraw/zinc/54/53/08/569545308.db2.gz WNSUWCKBKDZBHQ-UHFFFAOYSA-N 0 0 436.552 5.073 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccc(C)cc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532488 569545318 /nfs/dbraw/zinc/54/53/18/569545318.db2.gz PTQBPVLHZKCEHU-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc2c(C[NH2+]CCc3ccccc3Cl)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000009532611 569545343 /nfs/dbraw/zinc/54/53/43/569545343.db2.gz HPHQRLGSUQJEPR-UHFFFAOYSA-N 0 0 448.950 5.382 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1ccc(F)cc1 ZINC000009532818 569545392 /nfs/dbraw/zinc/54/53/92/569545392.db2.gz IKXHKFMBNYKQSH-UHFFFAOYSA-N 0 0 448.567 5.216 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000009532597 569545393 /nfs/dbraw/zinc/54/53/93/569545393.db2.gz IEMPOTMTNRPXGC-LJQANCHMSA-N 0 0 428.532 5.290 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000009532974 569545423 /nfs/dbraw/zinc/54/54/23/569545423.db2.gz WQJDVMRJRQDWFU-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)c(=O)c3ccccc32)c1 ZINC000009535127 569545515 /nfs/dbraw/zinc/54/55/15/569545515.db2.gz RNDVDWSQZYBRSK-PMACEKPBSA-N 0 0 437.543 5.219 50 0 IKAARN Cn1cccc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000009540212 569545782 /nfs/dbraw/zinc/54/57/82/569545782.db2.gz XNNVEWNDKVNENH-SFHVURJKSA-N 0 0 436.817 5.234 50 0 IKAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000009541171 569545845 /nfs/dbraw/zinc/54/58/45/569545845.db2.gz KRJGZEBRKFVECM-UHFFFAOYSA-N 0 0 449.963 5.704 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3c(cccc3Cl)s2)CC1 ZINC000009543367 569545890 /nfs/dbraw/zinc/54/58/90/569545890.db2.gz HKNQPFPTNIXFRE-UHFFFAOYSA-N 0 0 447.991 5.430 50 0 IKAARN CCc1cccc2sc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nc21 ZINC000009542672 569545910 /nfs/dbraw/zinc/54/59/10/569545910.db2.gz QQXMWPWSAICHKE-UHFFFAOYSA-N 0 0 443.572 5.613 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 ZINC000009544291 569545974 /nfs/dbraw/zinc/54/59/74/569545974.db2.gz RRTHGKUBEPUKFE-UHFFFAOYSA-N 0 0 447.604 5.772 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C2CCCCC2)cc1 ZINC000009545254 569546063 /nfs/dbraw/zinc/54/60/63/569546063.db2.gz BQLYVPXHQOYVIG-UHFFFAOYSA-N 0 0 436.581 5.498 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C2CCCCC2)cc1 ZINC000009545253 569546092 /nfs/dbraw/zinc/54/60/92/569546092.db2.gz OXHPKKAWVRVDIE-UHFFFAOYSA-N 0 0 436.581 5.498 50 0 IKAARN CC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccc(Br)cc4)c32)c1 ZINC000009545498 569546146 /nfs/dbraw/zinc/54/61/46/569546146.db2.gz FBOIRJQFUORCCX-UHFFFAOYSA-N 0 0 440.322 5.872 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000009545790 569546154 /nfs/dbraw/zinc/54/61/54/569546154.db2.gz RIGVNYHOVDVUDJ-KXBFYZLASA-N 0 0 444.988 5.027 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(F)c(F)c1 ZINC000009545867 569546202 /nfs/dbraw/zinc/54/62/02/569546202.db2.gz ALUPVVKRLPMGPU-UHFFFAOYSA-N 0 0 434.471 5.215 50 0 IKAARN CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1 ZINC000009545892 569546222 /nfs/dbraw/zinc/54/62/22/569546222.db2.gz XJAKXXZMADIQPZ-QFIPXVFZSA-N 0 0 444.560 5.446 50 0 IKAARN Cc1c(C)n(C[C@@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c2ccc(C)cc12 ZINC000009546410 569546273 /nfs/dbraw/zinc/54/62/73/569546273.db2.gz WPGWWJIFBYIKSM-VWLOTQADSA-N 0 0 435.571 6.158 50 0 IKAARN CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3C3CC3)c3ccccc3)c[nH]c21 ZINC000009548733 569546486 /nfs/dbraw/zinc/54/64/86/569546486.db2.gz WXFWPAQFXRORDW-XMMPIXPASA-N 0 0 442.588 6.250 50 0 IKAARN COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 ZINC000009548834 569546492 /nfs/dbraw/zinc/54/64/92/569546492.db2.gz UJQWBPIWWDDBBP-KRWDZBQOSA-N 0 0 445.544 5.455 50 0 IKAARN CC[C@@H](c1nnc(SCC(=O)c2c(C)[nH]c3ccccc32)n1Cc1ccccc1)N(C)C ZINC000009549677 569546592 /nfs/dbraw/zinc/54/65/92/569546592.db2.gz HZSUECFUYFCNED-NRFANRHFSA-N 0 0 447.608 5.104 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009549272 569546612 /nfs/dbraw/zinc/54/66/12/569546612.db2.gz FLWPIFYAZCGUKA-KRWDZBQOSA-N 0 0 444.560 5.180 50 0 IKAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000009557814 569546911 /nfs/dbraw/zinc/54/69/11/569546911.db2.gz NFQFAWWMBGIYOW-HNNXBMFYSA-N 0 0 435.911 6.074 50 0 IKAARN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000009559382 569546981 /nfs/dbraw/zinc/54/69/81/569546981.db2.gz CAFCAIIHPBDGFU-IZZNHLLZSA-N 0 0 437.543 5.290 50 0 IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc21 ZINC000009559620 569546990 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O=C(COc1ccccc1C(=O)Nc1ccccc1)N(Cc1ccco1)C1=CCCCC1 ZINC000009578559 569548318 /nfs/dbraw/zinc/54/83/18/569548318.db2.gz LSGKQXLCWNMEHB-UHFFFAOYSA-N 0 0 430.504 5.397 50 0 IKAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009578941 569548444 /nfs/dbraw/zinc/54/84/44/569548444.db2.gz UTQDLRUAEVHHKN-JOCHJYFZSA-N 0 0 444.535 5.099 50 0 IKAARN CSCC[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1nc2ccccc2s1 ZINC000009579211 569548478 /nfs/dbraw/zinc/54/84/78/569548478.db2.gz WHKGONDWGCPSDO-SFHVURJKSA-N 0 0 439.631 5.573 50 0 IKAARN COc1ccc([C@@H]2CCCN2Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c(OC)c1 ZINC000009579832 569548586 /nfs/dbraw/zinc/54/85/86/569548586.db2.gz BTVAJIARUNZESF-FQEVSTJZSA-N 0 0 447.560 5.006 50 0 IKAARN Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)sc2c1 ZINC000009580593 569548819 /nfs/dbraw/zinc/54/88/19/569548819.db2.gz LHUHDQRECAGEKT-UHFFFAOYSA-N 0 0 439.541 5.068 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000009581423 569549107 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Cc1ccc(N(C(=O)Cc2ccc3c(c2)OCCO3)c2nc3ccccc3s2)cc1F ZINC000009591498 569550164 /nfs/dbraw/zinc/55/01/64/569550164.db2.gz YZNQZJDPNPIKSQ-UHFFFAOYSA-N 0 0 434.492 5.422 50 0 IKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1C ZINC000009591685 569550227 /nfs/dbraw/zinc/55/02/27/569550227.db2.gz OHNGYUKWDGTTJM-KRWDZBQOSA-N 0 0 447.918 6.340 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000009591739 569550230 /nfs/dbraw/zinc/55/02/30/569550230.db2.gz QXISYYBIXRHEQI-LJQANCHMSA-N 0 0 427.500 5.995 50 0 IKAARN Cc1cccc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)c1C ZINC000009591732 569550249 /nfs/dbraw/zinc/55/02/49/569550249.db2.gz MHKPEGBBXSQFQF-QGZVFWFLSA-N 0 0 431.463 5.826 50 0 IKAARN CC(C)c1ccc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000009591934 569550264 /nfs/dbraw/zinc/55/02/64/569550264.db2.gz ZNYYJZBNFXWWFH-QGZVFWFLSA-N 0 0 445.490 6.332 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)o2)cc1 ZINC000009593715 569550472 /nfs/dbraw/zinc/55/04/72/569550472.db2.gz GMNPVDKXTWLRRR-UHFFFAOYSA-N 0 0 440.381 5.001 50 0 IKAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)o2)c1 ZINC000009594185 569550583 /nfs/dbraw/zinc/55/05/83/569550583.db2.gz CVJNZLQIVFAPEJ-UHFFFAOYSA-N 0 0 446.956 5.073 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 ZINC000009594778 569550635 /nfs/dbraw/zinc/55/06/35/569550635.db2.gz GPMBZHDKPZERRR-UHFFFAOYSA-N 0 0 435.911 5.993 50 0 IKAARN Cc1c2ccccc2sc1C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000009594679 569550641 /nfs/dbraw/zinc/55/06/41/569550641.db2.gz SRQBLKGPUGNEHA-RUZDIDTESA-N 0 0 428.513 5.013 50 0 IKAARN Cc1c2ccccc2sc1C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000009594682 569550642 /nfs/dbraw/zinc/55/06/42/569550642.db2.gz SRQBLKGPUGNEHA-VWLOTQADSA-N 0 0 428.513 5.013 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009595263 569550692 /nfs/dbraw/zinc/55/06/92/569550692.db2.gz DATLGXZREYEJHQ-UHFFFAOYSA-N 0 0 439.968 5.180 50 0 IKAARN CCCCCCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)OCC)C(C)=N2 ZINC000009597336 569550874 /nfs/dbraw/zinc/55/08/74/569550874.db2.gz NWXVXDOUXLXBKZ-GOSISDBHSA-N 0 0 434.993 5.456 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)[C@@H]1C ZINC000009598049 569550980 /nfs/dbraw/zinc/55/09/80/569550980.db2.gz ICFPYXAOCMIPGD-CPUCHLNUSA-N 0 0 443.410 6.280 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000009597820 569550981 /nfs/dbraw/zinc/55/09/81/569550981.db2.gz QZXXIXXXDMWZEF-UHFFFAOYSA-N 0 0 434.473 5.205 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cn3c2NC(c2ccccc2)c2ccccc2)cc1 ZINC000009598489 569551008 /nfs/dbraw/zinc/55/10/08/569551008.db2.gz IQLIFNSBWQZMQR-UHFFFAOYSA-N 0 0 439.946 6.865 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccc(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000009599172 569551148 /nfs/dbraw/zinc/55/11/48/569551148.db2.gz OKSWUZGSENOCIA-UHFFFAOYSA-N 0 0 447.938 5.852 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(F)cc1)Nc1ccc(Cl)cc1 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6.272 50 0 IKAARN O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000009599217 569551223 /nfs/dbraw/zinc/55/12/23/569551223.db2.gz IYRKRPYWPCLCHY-UHFFFAOYSA-N 0 0 432.376 5.837 50 0 IKAARN Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009599353 569551283 /nfs/dbraw/zinc/55/12/83/569551283.db2.gz MFPZPZWAMIIRBF-UHFFFAOYSA-N 0 0 429.948 5.631 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(C)cc2)cc1Cl ZINC000009599380 569551289 /nfs/dbraw/zinc/55/12/89/569551289.db2.gz VJIBYTJZGVNUHT-UHFFFAOYSA-N 0 0 441.984 5.500 50 0 IKAARN Cc1cc(C)cc(C(=O)N2c3ccccc3N3C(c4c(C)c(C)cc(C)c4C)=NON23)c1 ZINC000009600718 569551534 /nfs/dbraw/zinc/55/15/34/569551534.db2.gz XNEXMSXUVTZYBF-UHFFFAOYSA-N 0 0 426.520 5.443 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1Cc1ccccc1 ZINC000009602880 569551700 /nfs/dbraw/zinc/55/17/00/569551700.db2.gz WLGOJMXGQVDLJT-JOCHJYFZSA-N 0 0 432.524 5.246 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2C)cc1 ZINC000009602915 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/nfs/dbraw/zinc/55/52/72/569555272.db2.gz MCVIUYIFJMDBRL-UHFFFAOYSA-N 0 0 441.940 5.417 50 0 IKAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 ZINC000009640214 569555310 /nfs/dbraw/zinc/55/53/10/569555310.db2.gz CHCHHYMGNQUFET-IBGZPJMESA-N 0 0 428.579 5.107 50 0 IKAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(-c2nc3ccccc3s2)s1 ZINC000009640052 569555357 /nfs/dbraw/zinc/55/53/57/569555357.db2.gz RXGVSYVPFOWLGI-UHFFFAOYSA-N 0 0 447.566 6.293 50 0 IKAARN COC(=O)c1c(SCc2cccc(F)c2)nc2ccccc2c1OCc1ccccc1 ZINC000009640276 569555391 /nfs/dbraw/zinc/55/53/91/569555391.db2.gz PERTXDKHQXOILA-UHFFFAOYSA-N 0 0 433.504 6.032 50 0 IKAARN O=C(Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1)c1ccc(F)cc1F ZINC000009641615 569555762 /nfs/dbraw/zinc/55/57/62/569555762.db2.gz PKIIEMNZNMMCBM-UHFFFAOYSA-N 0 0 435.455 5.593 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000009642782 569555829 /nfs/dbraw/zinc/55/58/29/569555829.db2.gz VHRFAJUHTBVLBI-UHFFFAOYSA-N 0 0 447.966 6.204 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000009642685 569555832 /nfs/dbraw/zinc/55/58/32/569555832.db2.gz RXMDJUVUYRBNDX-UHFFFAOYSA-N 0 0 447.966 5.687 50 0 IKAARN Cn1ccnc1S[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000009642458 569555848 /nfs/dbraw/zinc/55/58/48/569555848.db2.gz KKKDAFALEXSFMR-MRXNPFEDSA-N 0 0 425.863 5.564 50 0 IKAARN CSc1cccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000009642787 569555918 /nfs/dbraw/zinc/55/59/18/569555918.db2.gz ZXLOZUIJAZCOMZ-UHFFFAOYSA-N 0 0 445.588 5.965 50 0 IKAARN CCc1cccc2c(C(=O)CSc3nnc(-c4cccc(Br)c4)o3)c[nH]c21 ZINC000009643449 569555944 /nfs/dbraw/zinc/55/59/44/569555944.db2.gz DKJUTMNKJDDUPN-UHFFFAOYSA-N 0 0 442.338 5.518 50 0 IKAARN C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000009643467 569555961 /nfs/dbraw/zinc/55/59/61/569555961.db2.gz MTNXKQFYKXUHSG-JTQLQIEISA-N 0 0 429.731 5.523 50 0 IKAARN CCN(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1cccc2ccccc21 ZINC000009644201 569556021 /nfs/dbraw/zinc/55/60/21/569556021.db2.gz DYYCKQRCKQQBAR-UHFFFAOYSA-N 0 0 437.710 5.405 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009645271 569556098 /nfs/dbraw/zinc/55/60/98/569556098.db2.gz XVDCGPVKJAZMQQ-UHFFFAOYSA-N 0 0 441.484 5.038 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3c(C)cc(C)cc3C)nc(=O)c12 ZINC000009645767 569556117 /nfs/dbraw/zinc/55/61/17/569556117.db2.gz AFZDUSUJKDLNGW-GFCCVEGCSA-N 0 0 443.638 5.538 50 0 IKAARN COc1ccc(Cl)cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl ZINC000009645540 569556125 /nfs/dbraw/zinc/55/61/25/569556125.db2.gz OGAQKRVEJTWFKV-HXUWFJFHSA-N 0 0 444.293 6.393 50 0 IKAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009645469 569556135 /nfs/dbraw/zinc/55/61/35/569556135.db2.gz BNTJDQPYLKLDON-VWLOTQADSA-N 0 0 427.523 5.920 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N(c1ccccc1)C1CCCCC1 ZINC000009645573 569556137 /nfs/dbraw/zinc/55/61/37/569556137.db2.gz MRVXRFMRLMWYBW-UHFFFAOYSA-N 0 0 438.622 5.800 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000009647142 569556406 /nfs/dbraw/zinc/55/64/06/569556406.db2.gz RUAJVCGHQIDTSS-UHFFFAOYSA-N 0 0 434.590 5.151 50 0 IKAARN CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nnc1-c1ccco1 ZINC000009646873 569556408 /nfs/dbraw/zinc/55/64/08/569556408.db2.gz ZNDPDILUXZMIDH-UHFFFAOYSA-N 0 0 439.566 5.300 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000009660216 569556696 /nfs/dbraw/zinc/55/66/96/569556696.db2.gz YGMNTGQMNFVECQ-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 biogenic IKAARN COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c(OC)c1 ZINC000009659768 569556709 /nfs/dbraw/zinc/55/67/09/569556709.db2.gz JHCXIQHUTXTITI-UHFFFAOYSA-N 0 0 433.504 5.249 50 0 IKAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)cc(OC)c1OC ZINC000009660249 569556717 /nfs/dbraw/zinc/55/67/17/569556717.db2.gz SQNAWUATFAIFBF-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 biogenic IKAARN O=C1N(Cc2ccccc2Cl)c2ccccc2S(=O)(=O)N1c1ccc(Cl)cc1 ZINC000009663625 569557256 /nfs/dbraw/zinc/55/72/56/569557256.db2.gz MSSBIRQHEWCHLR-UHFFFAOYSA-N 0 0 433.316 5.329 50 0 IKAARN CCc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000009663885 569557298 /nfs/dbraw/zinc/55/72/98/569557298.db2.gz DJNOWFYRPCZKMB-UHFFFAOYSA-N 0 0 444.915 5.377 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 ZINC000009663904 569557311 /nfs/dbraw/zinc/55/73/11/569557311.db2.gz GGGXVEOXRQNASH-HSZRJFAPSA-N 0 0 444.560 5.365 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1F ZINC000009664524 569557442 /nfs/dbraw/zinc/55/74/42/569557442.db2.gz KTWSVMXKOBLVLE-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN CCc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccc(Br)cc2)cc1 ZINC000016161801 569557452 /nfs/dbraw/zinc/55/74/52/569557452.db2.gz ZGHZZVCQKIQRDN-JOCHJYFZSA-N 0 0 426.329 6.577 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)Nc1cccc(F)c1 ZINC000009666035 569557651 /nfs/dbraw/zinc/55/76/51/569557651.db2.gz PUNRTMVXDBOAQB-UHFFFAOYSA-N 0 0 440.450 5.082 50 0 IKAARN CCOc1ccc(-c2nc(COC(=O)CCc3c[nH]c4ccccc34)cs2)cc1OC ZINC000009666564 569557721 /nfs/dbraw/zinc/55/77/21/569557721.db2.gz CATDUSVLXDWCIC-UHFFFAOYSA-N 0 0 436.533 5.375 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccc(C)o2)c1 ZINC000009669317 569558064 /nfs/dbraw/zinc/55/80/64/569558064.db2.gz UZKPGEKGWBRZHI-NDEPHWFRSA-N 0 0 448.522 6.490 50 0 IKAARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009669606 569558086 /nfs/dbraw/zinc/55/80/86/569558086.db2.gz VZPXCQCXFUIEAM-UHFFFAOYSA-N 0 0 428.941 5.131 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009669579 569558121 /nfs/dbraw/zinc/55/81/21/569558121.db2.gz WAAKCHNQRXOLGK-VXKWHMMOSA-N 0 0 431.561 5.314 50 0 IKAARN COc1cccc([C@@H](CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc32)c1OC ZINC000009669877 569558143 /nfs/dbraw/zinc/55/81/43/569558143.db2.gz OUDHKZZHBAFICT-HXUWFJFHSA-N 0 0 436.458 5.025 50 0 IKAARN CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000009669834 569558173 /nfs/dbraw/zinc/55/81/73/569558173.db2.gz POXMXMBHVAYNJH-UHFFFAOYSA-N 0 0 446.981 5.139 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000009671235 569558493 /nfs/dbraw/zinc/55/84/93/569558493.db2.gz ODLCIIMBZSQTJR-UHFFFAOYSA-N 0 0 442.519 5.043 50 0 IKAARN COc1cc(CC(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc(OC)c1OC ZINC000009671126 569558509 /nfs/dbraw/zinc/55/85/09/569558509.db2.gz FYULPOWRFZONJI-SANMLTNESA-N 0 0 448.515 5.039 50 0 IKAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000009672113 569558703 /nfs/dbraw/zinc/55/87/03/569558703.db2.gz WGROODYIHKCTHP-CQSZACIVSA-N 0 0 436.458 5.793 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc4c(c3)OCCCO4)c2n1 ZINC000009672681 569558854 /nfs/dbraw/zinc/55/88/54/569558854.db2.gz JHRDTVZCQJVSQB-UHFFFAOYSA-N 0 0 433.291 5.029 50 0 IKAARN CC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc12 ZINC000009673677 569558958 /nfs/dbraw/zinc/55/89/58/569558958.db2.gz PDNYYAQXMDNLNK-UHFFFAOYSA-N 0 0 426.881 5.003 50 0 IKAARN CCOc1ccc(NC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000009673999 569559019 /nfs/dbraw/zinc/55/90/19/569559019.db2.gz SQDYYAVWDPDGMU-UHFFFAOYSA-N 0 0 429.520 5.259 50 0 IKAARN CCc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000009674109 569559082 /nfs/dbraw/zinc/55/90/82/569559082.db2.gz OGRJLTANAUHQSN-UHFFFAOYSA-N 0 0 431.561 5.616 50 0 IKAARN COc1ccc(-c2nc(-c3cccc(OC)c3)[nH]c2SCC(=O)Nc2ccccc2)cc1 ZINC000009674180 569559191 /nfs/dbraw/zinc/55/91/91/569559191.db2.gz FYBQSAINBWCAFC-UHFFFAOYSA-N 0 0 445.544 5.492 50 0 IKAARN CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000009675891 569559351 /nfs/dbraw/zinc/55/93/51/569559351.db2.gz OQEFTPOGBGTGLD-UHFFFAOYSA-N 0 0 427.891 6.071 50 0 IKAARN Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000009675925 569559355 /nfs/dbraw/zinc/55/93/55/569559355.db2.gz SWSIHALXQSBYPX-UHFFFAOYSA-N 0 0 427.891 5.974 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(C(C)(C)C)cc3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000009675943 569559372 /nfs/dbraw/zinc/55/93/72/569559372.db2.gz GLWLFHITJSKXKM-UHFFFAOYSA-N 0 0 435.527 6.575 50 0 IKAARN COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(C)c4)c3c2cc1OC ZINC000009675951 569559377 /nfs/dbraw/zinc/55/93/77/569559377.db2.gz PUTIHFFUZCIWCX-UHFFFAOYSA-N 0 0 427.479 6.014 50 0 IKAARN COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4)c3c2cc1OC ZINC000009675920 569559394 /nfs/dbraw/zinc/55/93/94/569559394.db2.gz QQPZSKMPNLVXCP-UHFFFAOYSA-N 0 0 429.907 6.220 50 0 IKAARN COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc(Cl)c4)c3c2cc1OC ZINC000009675918 569559396 /nfs/dbraw/zinc/55/93/96/569559396.db2.gz PJMSJEPWYIKMSC-UHFFFAOYSA-N 0 0 429.907 6.220 50 0 IKAARN Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1 ZINC000009676164 569559407 /nfs/dbraw/zinc/55/94/07/569559407.db2.gz IWQGJRRPIZTRCC-UHFFFAOYSA-N 0 0 432.296 6.451 50 0 IKAARN Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccc(F)cc4c32)cc1 ZINC000009676184 569559414 /nfs/dbraw/zinc/55/94/14/569559414.db2.gz GHZXFEKWXXLCGQ-UHFFFAOYSA-N 0 0 432.296 6.451 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2c1 ZINC000009676096 569559431 /nfs/dbraw/zinc/55/94/31/569559431.db2.gz HUBXOMWZELWCGQ-UHFFFAOYSA-N 0 0 430.305 6.012 50 0 IKAARN CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000009676840 569559469 /nfs/dbraw/zinc/55/94/69/569559469.db2.gz VBUXMACTCFJNPR-UHFFFAOYSA-N 0 0 440.609 5.105 50 0 IKAARN CCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000009678953 569559629 /nfs/dbraw/zinc/55/96/29/569559629.db2.gz ZNWUZESVKUWDQV-NTCAYCPXSA-N 0 0 446.572 5.768 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1 ZINC000009679008 569559693 /nfs/dbraw/zinc/55/96/93/569559693.db2.gz UGOVOYKJHAABBY-UHFFFAOYSA-N 0 0 434.586 6.970 50 0 IKAARN COc1ccc(-c2nnc(Nc3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000009680417 569560076 /nfs/dbraw/zinc/56/00/76/569560076.db2.gz IQMKGTPPAQTDGY-UHFFFAOYSA-N 0 0 433.511 6.628 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NCc3ccc(C)cc3)c3ccccc3n2)c(OC)c1 ZINC000009680619 569560088 /nfs/dbraw/zinc/56/00/88/569560088.db2.gz ZUKSITUXIVXYDZ-UHFFFAOYSA-N 0 0 427.504 5.234 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)c(OC)c1 ZINC000009680605 569560124 /nfs/dbraw/zinc/56/01/24/569560124.db2.gz AVNXCGMYHIZHJN-UHFFFAOYSA-N 0 0 447.922 5.579 50 0 IKAARN Cc1cccc(Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)c1C ZINC000009680720 569560158 /nfs/dbraw/zinc/56/01/58/569560158.db2.gz LKIAAWFLDNYHDJ-UHFFFAOYSA-N 0 0 425.488 5.254 50 0 IKAARN Cc1ccc(C)c(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000009680771 569560174 /nfs/dbraw/zinc/56/01/74/569560174.db2.gz WGKCCBDWQVMEER-UHFFFAOYSA-N 0 0 429.951 6.221 50 0 IKAARN CSc1cccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000009680834 569560175 /nfs/dbraw/zinc/56/01/75/569560175.db2.gz RSYDLFYHLVUKKU-UHFFFAOYSA-N 0 0 433.964 6.284 50 0 IKAARN COc1ccc(OC)c(Nc2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)c1 ZINC000009680801 569560195 /nfs/dbraw/zinc/56/01/95/569560195.db2.gz NPPJOZURURKGFE-UHFFFAOYSA-N 0 0 431.536 5.616 50 0 IKAARN Cc1cc(=O)oc2cc(N[C@H]3c4ccccc4C(=O)N3Cc3ccccc3Cl)ccc12 ZINC000009681075 569560245 /nfs/dbraw/zinc/56/02/45/569560245.db2.gz XUDXWDGIKLDFIQ-XMMPIXPASA-N 0 0 430.891 5.522 50 0 IKAARN O=C1c2ccccc2[C@@H](Nc2ccccc2Br)N1Cc1ccccc1Cl ZINC000009681064 569560272 /nfs/dbraw/zinc/56/02/72/569560272.db2.gz JWQILDPXPNUKKW-FQEVSTJZSA-N 0 0 427.729 5.869 50 0 IKAARN Cc1sc(-c2nc(-c3ccc(Br)cc3)cs2)nc1-c1ccc(C)cc1 ZINC000009683112 569560316 /nfs/dbraw/zinc/56/03/16/569560316.db2.gz BUTGGMSCFLZQPV-UHFFFAOYSA-N 0 0 427.392 6.980 50 0 IKAARN C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)N1CCc2ccccc21 ZINC000009683568 569560364 /nfs/dbraw/zinc/56/03/64/569560364.db2.gz CHDXNVBQMJIOIJ-GFCCVEGCSA-N 0 0 441.965 5.675 50 0 IKAARN O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1 ZINC000009683336 569560400 /nfs/dbraw/zinc/56/04/00/569560400.db2.gz LDOIHLYSJVIFDL-UHFFFAOYSA-N 0 0 442.890 5.326 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000009684050 569560514 /nfs/dbraw/zinc/56/05/14/569560514.db2.gz MXHKAZBSGWKTFY-UHFFFAOYSA-N 0 0 437.540 5.003 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc(Cl)ccc1Cl ZINC000009684424 569560540 /nfs/dbraw/zinc/56/05/40/569560540.db2.gz ZKUCCVAJMFAKHH-UHFFFAOYSA-N 0 0 425.366 5.379 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000009684502 569560547 /nfs/dbraw/zinc/56/05/47/569560547.db2.gz BNLUIODUYJMXQB-UHFFFAOYSA-N 0 0 439.334 5.743 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 ZINC000009684452 569560573 /nfs/dbraw/zinc/56/05/73/569560573.db2.gz TZEZZBBNNZDYTI-GFCCVEGCSA-N 0 0 446.935 5.200 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 ZINC000009684449 569560575 /nfs/dbraw/zinc/56/05/75/569560575.db2.gz TZEZZBBNNZDYTI-LBPRGKRZSA-N 0 0 446.935 5.200 50 0 IKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000009684761 569560595 /nfs/dbraw/zinc/56/05/95/569560595.db2.gz GCHIUICZCVQMML-UHFFFAOYSA-N 0 0 430.426 5.409 50 0 IKAARN Cc1ccc(NC(=O)CSc2c3ccccc3nc3c2CCCC3)c(Br)c1 ZINC000009693099 569561105 /nfs/dbraw/zinc/56/11/05/569561105.db2.gz SYPOLOFCRXTJMZ-UHFFFAOYSA-N 0 0 441.394 5.915 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cc(Br)ccc1F)c2Nc1ccc2c(c1)OCO2 ZINC000009692753 569561117 /nfs/dbraw/zinc/56/11/17/569561117.db2.gz NZMGWMCTCUBUJQ-UHFFFAOYSA-N 0 0 440.272 5.684 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000009693753 569561177 /nfs/dbraw/zinc/56/11/77/569561177.db2.gz BVZBSTJQUCUYRZ-KRWDZBQOSA-N 0 0 439.024 5.997 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000009707755 569561645 /nfs/dbraw/zinc/56/16/45/569561645.db2.gz OJISCYATPASEMW-UHFFFAOYSA-N 0 0 448.569 5.523 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000009707758 569561681 /nfs/dbraw/zinc/56/16/81/569561681.db2.gz FKRJYBAMWCBEAY-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000009707735 569561691 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CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000009711774 569562074 /nfs/dbraw/zinc/56/20/74/569562074.db2.gz GHYKXVACLOWECL-UHFFFAOYSA-N 0 0 426.611 5.261 50 0 IKAARN Cc1ccc(C(=O)[C@H](Sc2nnc(-c3ccncc3)n2C2CC2)c2ccc(C)cc2)cc1 ZINC000009711834 569562076 /nfs/dbraw/zinc/56/20/76/569562076.db2.gz SEOQYAUVNLJGDB-XMMPIXPASA-N 0 0 440.572 6.008 50 0 IKAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009712169 569562171 /nfs/dbraw/zinc/56/21/71/569562171.db2.gz NHTKGJMGJWVUHK-UHFFFAOYSA-N 0 0 437.543 5.186 50 0 IKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000009712182 569562198 /nfs/dbraw/zinc/56/21/98/569562198.db2.gz ZGMPIQRZDQGJRX-UHFFFAOYSA-N 0 0 429.501 5.136 50 0 IKAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000009712656 569562304 /nfs/dbraw/zinc/56/23/04/569562304.db2.gz SDFJWGIXLLBCFJ-UHFFFAOYSA-N 0 0 434.542 5.133 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1 ZINC000009712782 569562377 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CCOc1cccc2sc(N(Cc3ccccn3)C(=O)CSc3ccc(C)cc3)nc21 ZINC000009716973 569563206 /nfs/dbraw/zinc/56/32/06/569563206.db2.gz OETRSWXGWIYNDO-UHFFFAOYSA-N 0 0 449.601 5.724 50 0 IKAARN O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000009716994 569563253 /nfs/dbraw/zinc/56/32/53/569563253.db2.gz MDSIYSWSKSNALH-UHFFFAOYSA-N 0 0 430.352 5.362 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000009721269 569563405 /nfs/dbraw/zinc/56/34/05/569563405.db2.gz YQQKNADOCLBCGS-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN COC(=O)c1ccc(Cl)cc1NC(=O)NCc1cccn1Cc1c(C)cc(C)cc1C ZINC000009723179 569563524 /nfs/dbraw/zinc/56/35/24/569563524.db2.gz PUZVUMSPROMQAO-UHFFFAOYSA-N 0 0 439.943 5.223 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)c1 ZINC000009723749 569563625 /nfs/dbraw/zinc/56/36/25/569563625.db2.gz CQGYEQYDOLLVSG-HXUWFJFHSA-N 0 0 446.507 5.054 50 0 IKAARN C[C@@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 ZINC000009724048 569563674 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CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1cccs1 ZINC000009754618 569566164 /nfs/dbraw/zinc/56/61/64/569566164.db2.gz LBTRBLXKHHYUEN-UHFFFAOYSA-N 0 0 428.583 5.198 50 0 IKAARN Fc1ccc([C@@H]2CC(c3ccc(I)cc3)=NN2c2ccccc2)cc1 ZINC000009761186 569566192 /nfs/dbraw/zinc/56/61/92/569566192.db2.gz CTQJKBZVPGWPHF-NRFANRHFSA-N 0 0 442.275 5.786 50 0 IKAARN Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2Cl)cc1 ZINC000009761121 569566223 /nfs/dbraw/zinc/56/62/23/569566223.db2.gz CBAYUIPFOKADAT-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2Cl)cc1 ZINC000009761122 569566225 /nfs/dbraw/zinc/56/62/25/569566225.db2.gz CBAYUIPFOKADAT-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN Cc1cc(CSc2nnc(-c3ccccc3Br)n2Cc2ccccc2)no1 ZINC000009762642 569566479 /nfs/dbraw/zinc/56/64/79/569566479.db2.gz UDIINFHBGGKGFL-UHFFFAOYSA-N 0 0 441.354 5.345 50 0 IKAARN Cc1ccc(/C=C(\C(=O)N(CCc2ccccc2)Cc2ccccc2)n2ccccc2=O)cc1 ZINC000009762982 569566583 /nfs/dbraw/zinc/56/65/83/569566583.db2.gz 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CCOc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc1 ZINC000009775316 569566926 /nfs/dbraw/zinc/56/69/26/569566926.db2.gz RNUSEMTZCUPRQQ-UHFFFAOYSA-N 0 0 440.425 5.375 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)cc1 ZINC000009775312 569566954 /nfs/dbraw/zinc/56/69/54/569566954.db2.gz WVXXPNQCJNMERB-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN COc1ccc(C(=O)NCCn2cc(S[C@H](C)c3ccccc3)c3ccccc32)cc1 ZINC000009775747 569566980 /nfs/dbraw/zinc/56/69/80/569566980.db2.gz VAUNQXDDCNWKRZ-LJQANCHMSA-N 0 0 430.573 5.933 50 0 IKAARN C[C@@H](Oc1ccc(Br)cc1Br)c1nnc(-c2cccs2)o1 ZINC000009778204 569567223 /nfs/dbraw/zinc/56/72/23/569567223.db2.gz VEKBXEGREIBZAR-MRVPVSSYSA-N 0 0 430.121 5.463 50 0 IKAARN COc1ccc(C(=O)NCCn2cc(SCc3ccccc3C)c3ccccc32)cc1 ZINC000009775754 569567011 /nfs/dbraw/zinc/56/70/11/569567011.db2.gz GRLWRXJWSGDBFZ-UHFFFAOYSA-N 0 0 430.573 5.681 50 0 IKAARN Cc1cccc(NC(=O)CSc2cn(CCNC(=O)c3cccs3)c3ccccc23)c1 ZINC000009775866 569567065 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CCOc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)cc1 ZINC000009970151 569576178 /nfs/dbraw/zinc/57/61/78/569576178.db2.gz YKUZVRAVNCBNBQ-HSZRJFAPSA-N 0 0 432.545 5.294 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1[C@H](O)c1ccc(Cl)cc1)OCCO2 ZINC000009972071 569576327 /nfs/dbraw/zinc/57/63/27/569576327.db2.gz LEHKLISOBDGNCD-OAQYLSRUSA-N 0 0 445.302 5.490 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)c1 ZINC000009972076 569576356 /nfs/dbraw/zinc/57/63/56/569576356.db2.gz IAYUIBOLERIQCS-UHFFFAOYSA-N 0 0 447.507 6.495 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)c2nnc(-c3cccs3)o2)n1-c1ccccc1 ZINC000009982237 569576558 /nfs/dbraw/zinc/57/65/58/569576558.db2.gz IOMQDBUSDGIECD-CQSZACIVSA-N 0 0 435.534 5.801 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000009983795 569576618 /nfs/dbraw/zinc/57/66/18/569576618.db2.gz DREYXNYKDQLZTQ-UHFFFAOYSA-N 0 0 426.611 5.475 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccnc1Sc1ccccc1 ZINC000009984408 569576645 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/nfs/dbraw/zinc/57/71/41/569577141.db2.gz IVQJHZVPZOEHEE-UHFFFAOYSA-N 0 0 426.542 5.173 50 0 IKAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000010021537 569577179 /nfs/dbraw/zinc/57/71/79/569577179.db2.gz WOYHKAGYIMSXER-VGOFRKELSA-N 0 0 447.608 5.311 50 0 IKAARN O=C(COC(=O)c1cc(Br)c(Br)s1)c1ccc(Cl)s1 ZINC000010021730 569577221 /nfs/dbraw/zinc/57/72/21/569577221.db2.gz SKBADVPTTXEOJG-UHFFFAOYSA-N 0 0 444.553 5.028 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1NC(=O)N[C@H](C)c1cccs1 ZINC000010035406 569577360 /nfs/dbraw/zinc/57/73/60/569577360.db2.gz MROFKNGAAKLGKK-HUUCEWRRSA-N 0 0 428.583 5.883 50 0 IKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000010035381 569577408 /nfs/dbraw/zinc/57/74/08/569577408.db2.gz RATRTLPDSFQTGS-DEOSSOPVSA-N 0 0 425.488 5.034 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 ZINC000010037123 569577431 /nfs/dbraw/zinc/57/74/31/569577431.db2.gz RVWRJGVCXUCCII-HOTGVXAUSA-N 0 0 442.560 5.080 50 0 IKAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000010036053 569577439 /nfs/dbraw/zinc/57/74/39/569577439.db2.gz BORLZJYVBNZXDD-UHFFFAOYSA-N 0 0 434.561 5.338 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 ZINC000010045126 569577504 /nfs/dbraw/zinc/57/75/04/569577504.db2.gz DXRYASHBVDHSJR-CQSZACIVSA-N 0 0 447.318 5.460 50 0 IKAARN CC(C)c1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000010096172 569577765 /nfs/dbraw/zinc/57/77/65/569577765.db2.gz BZQQDWUNILABOJ-UHFFFAOYSA-N 0 0 446.641 7.208 50 0 IKAARN CCc1cccc(CC)c1-n1c(SC[C@@H](O)c2ccccc2)nnc1-c1cccnc1 ZINC000010137056 569578057 /nfs/dbraw/zinc/57/80/57/569578057.db2.gz UHNYTZNRWTYQQH-JOCHJYFZSA-N 0 0 430.577 5.280 50 0 IKAARN CCc1cccc(CC)c1-n1c(SC[C@H](O)c2ccccc2)nnc1-c1cccnc1 ZINC000010137055 569578065 /nfs/dbraw/zinc/57/80/65/569578065.db2.gz UHNYTZNRWTYQQH-QFIPXVFZSA-N 0 0 430.577 5.280 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(Br)s3)nc21 ZINC000010187555 569578611 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Clc1ccc(-c2nc(CSc3nnc(-c4ccncc4)n3C3CC3)cs2)cc1 ZINC000010213441 569579013 /nfs/dbraw/zinc/57/90/13/569579013.db2.gz ZPGUMGGEOFQEOO-UHFFFAOYSA-N 0 0 425.970 5.744 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215089 569579249 /nfs/dbraw/zinc/57/92/49/569579249.db2.gz CBVHLARBEPMQLF-TZIWHRDSSA-N 0 0 441.350 5.762 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O ZINC000010233040 569579394 /nfs/dbraw/zinc/57/93/94/569579394.db2.gz FWXDBWAWIIHVMP-KRWDZBQOSA-N 0 0 443.311 5.615 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1F)N(c1nccs1)C3=O ZINC000010233032 569579439 /nfs/dbraw/zinc/57/94/39/569579439.db2.gz RUKVONVVJQCVEM-KRWDZBQOSA-N 0 0 426.856 5.100 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(F)cc1)N(c1nccs1)C3=O ZINC000010233036 569579452 /nfs/dbraw/zinc/57/94/52/569579452.db2.gz RZAVJRIVORZFKG-KRWDZBQOSA-N 0 0 426.856 5.100 50 0 IKAARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c(Br)c1 ZINC000010236855 569579674 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569580370 /nfs/dbraw/zinc/58/03/70/569580370.db2.gz RSAJSGRVOBZJJS-IBGZPJMESA-N 0 0 431.542 5.061 50 0 IKAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCC(OCc2ccccc2)CC1 ZINC000010276656 569580397 /nfs/dbraw/zinc/58/03/97/569580397.db2.gz WNKHEDKORGREDX-UHFFFAOYSA-N 0 0 428.557 5.785 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccc(C)c(C)c4)no3)c(C)c2c1 ZINC000071761914 569580655 /nfs/dbraw/zinc/58/06/55/569580655.db2.gz KJDXELSSBVXQEO-UHFFFAOYSA-N 0 0 439.537 5.106 50 0 IKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)cc1 ZINC000071768757 569580770 /nfs/dbraw/zinc/58/07/70/569580770.db2.gz RRVBRPXIPGPPIJ-UHFFFAOYSA-N 0 0 426.994 5.955 50 0 IKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1C ZINC000071768741 569580790 /nfs/dbraw/zinc/58/07/90/569580790.db2.gz SLBDVHFCMVBIPD-UHFFFAOYSA-N 0 0 436.558 5.144 50 0 IKAARN O=C(c1ccc(Br)s1)N(CCCn1ccnc1)c1nc2ccccc2s1 ZINC000010337698 569581401 /nfs/dbraw/zinc/58/14/01/569581401.db2.gz DSQCCQNYORVYKW-UHFFFAOYSA-N 0 0 447.383 5.054 50 0 IKAARN O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2c(cccc2Cl)s1 ZINC000010337705 569581405 /nfs/dbraw/zinc/58/14/05/569581405.db2.gz ORSWVUZRVZKVLW-BQYQJAHWSA-N 0 0 428.970 5.344 50 0 IKAARN C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000010358742 569581440 /nfs/dbraw/zinc/58/14/40/569581440.db2.gz BMEKCIRLCWKLDT-QGZVFWFLSA-N 0 0 430.529 5.466 50 0 IKAARN CCn1c(=O)c2c(nc1SC[C@@H](O)c1ccccc1)sc(C)c2-c1ccc(F)cc1 ZINC000010374458 569581546 /nfs/dbraw/zinc/58/15/46/569581546.db2.gz IEYZTUZYGISFCG-GOSISDBHSA-N 0 0 440.565 5.418 50 0 IKAARN Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)n(C[C@H]2CCCO2)c1C ZINC000010380754 569581587 /nfs/dbraw/zinc/58/15/87/569581587.db2.gz XFBJAOIPRXHKBS-HSZRJFAPSA-N 0 0 435.593 5.004 50 0 IKAARN CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000010381549 569581588 /nfs/dbraw/zinc/58/15/88/569581588.db2.gz XNTHNQGRWNMEFI-MDZDMXLPSA-N 0 0 438.578 5.090 50 0 IKAARN Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)n(C[C@@H]2CCCO2)c1C ZINC000010380753 569581595 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CCOc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 ZINC000017194745 569584566 /nfs/dbraw/zinc/58/45/66/569584566.db2.gz QSMRKUNELKBTHK-UHFFFAOYSA-N 0 0 433.316 6.514 50 0 IKAARN Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3C(F)(F)F)s2)c(C)o1 ZINC000077099361 569585187 /nfs/dbraw/zinc/58/51/87/569585187.db2.gz DUDOHYINNVVYGA-UHFFFAOYSA-N 0 0 431.439 5.767 50 0 IKAARN Cc1cc(C(=O)N(CCn2cccn2)c2nc3c(cccc3C(F)(F)F)s2)c(C)o1 ZINC000077177568 569585840 /nfs/dbraw/zinc/58/58/40/569585840.db2.gz WRPVRNMTSGQGTA-UHFFFAOYSA-N 0 0 434.443 5.068 50 0 IKAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000022529133 569587246 /nfs/dbraw/zinc/58/72/46/569587246.db2.gz KIHSHDMUWOKLQI-UHFFFAOYSA-N 0 0 449.967 6.102 50 0 IKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccccc1C(F)(F)F ZINC000033312645 569587447 /nfs/dbraw/zinc/58/74/47/569587447.db2.gz RJNYLQQNNZAWKJ-UHFFFAOYSA-N 0 0 434.487 5.651 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O)[C@H]1CCCO1 ZINC000004290428 569587478 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/nfs/dbraw/zinc/88/92/91/193889291.db2.gz REUXFKTZWZZNNN-UHFFFAOYSA-N 0 0 425.985 5.750 50 0 IKAARN Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000006280290 193895181 /nfs/dbraw/zinc/89/51/81/193895181.db2.gz WKESQNOLJQQHQA-LJQANCHMSA-N 0 0 444.560 5.274 50 0 IKAARN CCc1ccccc1NC(=O)CN1c2ccc(Cl)cc2C(c2ccccc2)=N[C@@H](C)C1=O ZINC000009834129 193900879 /nfs/dbraw/zinc/90/08/79/193900879.db2.gz DKFZRNVLVOCNEW-KRWDZBQOSA-N 0 0 445.950 5.114 50 0 IKAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1oc2ccccc2c1COc1ccccc1 ZINC000009831952 193899219 /nfs/dbraw/zinc/89/92/19/193899219.db2.gz NARSSZHXVDJXKR-UHFFFAOYSA-N 0 0 426.472 5.391 50 0 IKAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1 ZINC000009855621 193908396 /nfs/dbraw/zinc/90/83/96/193908396.db2.gz XWGIGFUQUQPYIM-UHFFFAOYSA-N 0 0 438.527 5.303 50 0 IKAARN O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1cc(Cl)ccc1Cl ZINC000009854471 193908401 /nfs/dbraw/zinc/90/84/01/193908401.db2.gz PZCXFMRAXXGGPQ-UHFFFAOYSA-N 0 0 429.332 5.896 50 0 IKAARN Cc1ccc(-c2nc3c(c(SCC(=O)N4CCCCC4)n2)Cc2ccccc2O3)cc1 ZINC000009859699 193910671 /nfs/dbraw/zinc/91/06/71/193910671.db2.gz UVKCJPCYUSCDBT-UHFFFAOYSA-N 0 0 431.561 5.253 50 0 IKAARN O=C1Nc2c(cccc2Cl)[C@]12Nc1ccccc1C(=O)N2c1ccc(F)c(Cl)c1 ZINC000049947071 193921367 /nfs/dbraw/zinc/92/13/67/193921367.db2.gz VMHHICLRUGAECL-OAQYLSRUSA-N 0 0 428.250 5.010 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)nc1C ZINC000051330458 193925498 /nfs/dbraw/zinc/92/54/98/193925498.db2.gz FCHAMQYISDHWJM-MMRWGBFTSA-N 0 0 442.588 5.612 50 0 IKAARN Fc1ccc(CN2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000054290399 193930319 /nfs/dbraw/zinc/93/03/19/193930319.db2.gz RXPYBXFEFCZKCR-UHFFFAOYSA-N 0 0 438.959 5.473 50 0 IKAARN CCCCCN(Cc1cccn1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000096274243 193950298 /nfs/dbraw/zinc/95/02/98/193950298.db2.gz CNSLXINZSLIJIB-UHFFFAOYSA-N 0 0 444.406 7.068 50 0 IKAARN CCC(=O)Nc1ccc2c(cc(C(=O)N3CCCC3)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096275211 193951275 /nfs/dbraw/zinc/95/12/75/193951275.db2.gz TZIIDDJUOGAXME-UHFFFAOYSA-N 0 0 431.580 5.572 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(Br)cc3)no2)CC(C)C)cc1 ZINC000096275901 193951837 /nfs/dbraw/zinc/95/18/37/193951837.db2.gz IVJUZNOEAMBDNJ-UHFFFAOYSA-N 0 0 442.357 5.148 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)cc1)NCCc1ccccn1 ZINC000096276303 193952173 /nfs/dbraw/zinc/95/21/73/193952173.db2.gz PJCPSPLNJHGKRV-FQEVSTJZSA-N 0 0 438.358 5.751 50 0 IKAARN COc1ccccc1[C@H](CC(=O)NCCc1ccccn1)c1c[nH]c2ccc(Cl)cc21 ZINC000096276555 193952395 /nfs/dbraw/zinc/95/23/95/193952395.db2.gz CMUHINSLKGHCFG-FQEVSTJZSA-N 0 0 433.939 5.106 50 0 IKAARN COc1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccc(Cl)cc32)cc1OC ZINC000096276858 193952763 /nfs/dbraw/zinc/95/27/63/193952763.db2.gz YFEYRWFPPJPOSQ-FQEVSTJZSA-N 0 0 448.950 5.677 50 0 IKAARN Brc1ccc(-c2nc3ccccc3c(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000003018083 532960384 /nfs/dbraw/zinc/96/03/84/532960384.db2.gz JOQZWLYQEDVBES-UHFFFAOYSA-N 0 0 445.364 5.386 50 0 IKAARN C(=C/c1ccccc1)\CN1CCN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)CC1 ZINC000009158927 533353578 /nfs/dbraw/zinc/35/35/78/533353578.db2.gz NTVGQKFJFIZTBB-FMIVXFBMSA-N 0 0 446.554 5.878 50 0 IKAARN C/C(Cl)=C\CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000013551198 533417871 /nfs/dbraw/zinc/41/78/71/533417871.db2.gz KDRIEYXIDBJYRC-AWNIVKPZSA-N 0 0 447.029 5.190 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1cccc(Br)c1 ZINC000009136266 132227635 /nfs/dbraw/zinc/22/76/35/132227635.db2.gz DIZIQLGSHQBQLK-UHFFFAOYSA-N 0 0 435.321 5.181 50 0 IKAARN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000000624089 132227810 /nfs/dbraw/zinc/22/78/10/132227810.db2.gz LZALMUGTLDTFJH-UHFFFAOYSA-N 0 0 441.984 5.112 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1Cl)N(c1ccc(C)cc1)C(=O)C2 ZINC000000630674 132228185 /nfs/dbraw/zinc/22/81/85/132228185.db2.gz CFFFCADSIADNBQ-XMMPIXPASA-N 0 0 442.342 5.998 50 0 IKAARN COc1ccc2nc(Cl)c([C@@H]3Nc4ccccc4C(=O)N3c3ccc(C)cc3)cc2c1 ZINC000000643544 132228258 /nfs/dbraw/zinc/22/82/58/132228258.db2.gz YZCMZHXADGSGRR-XMMPIXPASA-N 0 0 429.907 5.976 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCCc2ccccc21 ZINC000000646570 132228305 /nfs/dbraw/zinc/22/83/05/132228305.db2.gz PVNVELUOBOYCIZ-UHFFFAOYSA-N 0 0 435.496 5.295 50 0 IKAARN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1c1cccc(Br)c1 ZINC000000678604 132229249 /nfs/dbraw/zinc/22/92/49/132229249.db2.gz WQCKZUVRVSVBIG-UHFFFAOYSA-N 0 0 431.083 5.165 50 0 IKAARN C[C@@H]1CCc2nc3sc(C(=O)N4c5ccccc5Sc5ccccc54)c(N)c3cc2C1 ZINC000000688347 132229424 /nfs/dbraw/zinc/22/94/24/132229424.db2.gz XUWINNIWKZZAGD-CQSZACIVSA-N 0 0 443.597 6.446 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000000721126 132229794 /nfs/dbraw/zinc/22/97/94/132229794.db2.gz WYHWCIDWQLKPAH-UHFFFAOYSA-N 0 0 435.321 5.294 50 0 IKAARN Cc1cccc(CC(=O)N2CCN(c3ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc3)CC2)c1 ZINC000000740560 132230217 /nfs/dbraw/zinc/23/02/17/132230217.db2.gz GSLBAKWFEIRWSP-JOCHJYFZSA-N 0 0 449.639 5.287 50 0 IKAARN O=C(CCC1CCCC1)Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1 ZINC000000749475 132230227 /nfs/dbraw/zinc/23/02/27/132230227.db2.gz AXEZCZMESLLASZ-UHFFFAOYSA-N 0 0 433.596 5.516 50 0 IKAARN CC(C)CNC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCC(C)CC1 ZINC000000746382 132230231 /nfs/dbraw/zinc/23/02/31/132230231.db2.gz HLPDPCAFYGYLFQ-UHFFFAOYSA-N 0 0 427.976 5.214 50 0 IKAARN COc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000822392 132231118 /nfs/dbraw/zinc/23/11/18/132231118.db2.gz VRFHORQNOOLRDS-UHFFFAOYSA-N 0 0 431.579 6.178 50 0 IKAARN O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCCc2ccccc21 ZINC000000820458 132231146 /nfs/dbraw/zinc/23/11/46/132231146.db2.gz BKOXVBZUXNUYTM-UHFFFAOYSA-N 0 0 430.511 5.656 50 0 IKAARN O=C(c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)N1CCCc2ccccc21 ZINC000000845050 132231507 /nfs/dbraw/zinc/23/15/07/132231507.db2.gz AWYHKLBZUDOPSM-UHFFFAOYSA-N 0 0 428.439 5.070 50 0 IKAARN Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C ZINC000000847503 132231524 /nfs/dbraw/zinc/23/15/24/132231524.db2.gz QSBMIVRKDIKZFV-DEOSSOPVSA-N 0 0 440.012 5.687 50 0 IKAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)N1c2ccccc2Sc2ccccc21 ZINC000000856914 132231728 /nfs/dbraw/zinc/23/17/28/132231728.db2.gz ULLJAIDJPMAGGT-UHFFFAOYSA-N 0 0 441.541 5.428 50 0 biogenic IKAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000009464477 132231909 /nfs/dbraw/zinc/23/19/09/132231909.db2.gz DVPRUXPWKAJELM-FQEVSTJZSA-N 0 0 448.617 5.463 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc2ccccc2c1 ZINC000009569288 132232172 /nfs/dbraw/zinc/23/21/72/132232172.db2.gz ULMXRYIMQPUULD-UHFFFAOYSA-N 0 0 448.569 5.295 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2C(=O)O[C@H]1c1ccc2c(c1)OCO2 ZINC000000996284 132236777 /nfs/dbraw/zinc/23/67/77/132236777.db2.gz BRUMUGYSRIAMRC-NRFANRHFSA-N 0 0 442.254 5.238 50 0 IKAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000001143504 132237189 /nfs/dbraw/zinc/23/71/89/132237189.db2.gz WVTRLIRJDZXLMJ-UHFFFAOYSA-N 0 0 438.984 5.093 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000001180032 132238667 /nfs/dbraw/zinc/23/86/67/132238667.db2.gz QPTBXDYWAWRRBB-UHFFFAOYSA-N 0 0 444.362 5.536 50 0 IKAARN COc1cc(OC)cc(C(=O)N2c3cc(C)ccc3-c3c(=S)ssc3C2(C)C)c1 ZINC000001182889 132238861 /nfs/dbraw/zinc/23/88/61/132238861.db2.gz YTKPQMUFMIPGEL-UHFFFAOYSA-N 0 0 443.615 6.427 50 0 IKAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2)N1CCCc2ccccc21 ZINC000001213005 132240096 /nfs/dbraw/zinc/24/00/96/132240096.db2.gz AWVSYPBCFRZYQT-YLJYHZDGSA-N 0 0 426.442 5.136 50 0 IKAARN COc1cccc(C(=O)N2c3cc(OC)ccc3-c3c(=S)ssc3C2(C)C)c1 ZINC000001229006 132240377 /nfs/dbraw/zinc/24/03/77/132240377.db2.gz HATNDHQBPDNPME-UHFFFAOYSA-N 0 0 429.588 6.119 50 0 IKAARN C[C@@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000001381900 132244442 /nfs/dbraw/zinc/24/44/42/132244442.db2.gz PPWKIAFFMWGZFR-OAHLLOKOSA-N 0 0 442.412 5.427 50 0 IKAARN C[C@@H]1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381832 132244464 /nfs/dbraw/zinc/24/44/64/132244464.db2.gz XXGRNUUWSFHCNV-OAHLLOKOSA-N 0 0 425.315 5.576 50 0 IKAARN C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381851 132244481 /nfs/dbraw/zinc/24/44/81/132244481.db2.gz KCUGNNIYQPFGOV-OAHLLOKOSA-N 0 0 425.315 5.576 50 0 IKAARN C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381849 132244494 /nfs/dbraw/zinc/24/44/94/132244494.db2.gz KCUGNNIYQPFGOV-HNNXBMFYSA-N 0 0 425.315 5.576 50 0 IKAARN C[C@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385962 132244585 /nfs/dbraw/zinc/24/45/85/132244585.db2.gz MJQRQPHYLWXWOI-AWEZNQCLSA-N 0 0 426.850 5.200 50 0 IKAARN Cc1ccc2c(c1)N(C(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000001785786 132246639 /nfs/dbraw/zinc/24/66/39/132246639.db2.gz CLSJGKOMDAFXQK-UHFFFAOYSA-N 0 0 439.671 7.708 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3-c3c(=S)n(-c4ccccc4)sc3C2(C)C)cc1 ZINC000001756535 132246645 /nfs/dbraw/zinc/24/66/45/132246645.db2.gz QATCXNBFRAZQBS-UHFFFAOYSA-N 0 0 442.653 7.807 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1c1ccccc1 ZINC000001773783 132246659 /nfs/dbraw/zinc/24/66/59/132246659.db2.gz KVFANBGLKPWKJC-AREMUKBSSA-N 0 0 440.930 6.690 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000001846937 132247467 /nfs/dbraw/zinc/24/74/67/132247467.db2.gz DXILDUWHPPSBHE-UHFFFAOYSA-N 0 0 434.502 6.145 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C ZINC000002054466 132247593 /nfs/dbraw/zinc/24/75/93/132247593.db2.gz GKCZEAWOZPUETJ-IBVKSMDESA-N 0 0 444.550 6.529 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000002052370 132247659 /nfs/dbraw/zinc/24/76/59/132247659.db2.gz BFTBEEYXAXMOQJ-UHFFFAOYSA-N 0 0 431.989 5.246 50 0 IKAARN O=C(Cc1cccc2ccccc21)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000002059466 132247748 /nfs/dbraw/zinc/24/77/48/132247748.db2.gz VKGPZNCSMXMHSY-UHFFFAOYSA-N 0 0 435.470 7.231 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)c1cccc3ccccc31)C(C)(C)c1ssc(=S)c1-2 ZINC000002060921 132247806 /nfs/dbraw/zinc/24/78/06/132247806.db2.gz FSVFRYXCIXJPGH-UHFFFAOYSA-N 0 0 447.650 7.872 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)/C=C/c1ccc(C)cc1 ZINC000002063153 132247809 /nfs/dbraw/zinc/24/78/09/132247809.db2.gz CHBXJRHSOUFLBO-FMIVXFBMSA-N 0 0 439.627 6.818 50 0 IKAARN CCOc1ccc(C(=O)N2c3ccc(Cl)cc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002080258 132247918 /nfs/dbraw/zinc/24/79/18/132247918.db2.gz GZFYTACMCUIZED-UHFFFAOYSA-N 0 0 448.034 7.154 50 0 IKAARN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)COc1ccc(F)cc1 ZINC000002068833 132247997 /nfs/dbraw/zinc/24/79/97/132247997.db2.gz ZLYWFBQABZNGGZ-UHFFFAOYSA-N 0 0 431.579 6.314 50 0 IKAARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c1OC ZINC000002085505 132248088 /nfs/dbraw/zinc/24/80/88/132248088.db2.gz UFWIZOGNQBQFKO-OAQYLSRUSA-N 0 0 428.410 5.494 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(C(C)(C)C)cc3)CO2)cc1 ZINC000002118881 132248161 /nfs/dbraw/zinc/24/81/61/132248161.db2.gz RYHIYBGYCCFSFR-UHFFFAOYSA-N 0 0 441.527 6.123 50 0 biogenic IKAARN O=C(CSc1nnc(CN2c3ccccc3Sc3ccccc32)o1)c1ccccc1 ZINC000002180831 132248290 /nfs/dbraw/zinc/24/82/90/132248290.db2.gz XZLIJFPJRSLRLM-UHFFFAOYSA-N 0 0 431.542 5.848 50 0 IKAARN CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002188732 132248506 /nfs/dbraw/zinc/24/85/06/132248506.db2.gz VFHMVEMCNRRLPH-MUUNZHRXSA-N 0 0 434.539 6.599 50 0 IKAARN CC(C)(C)c1cc(N2CCN(c3cccc(Cl)c3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002225081 132249407 /nfs/dbraw/zinc/24/94/07/132249407.db2.gz FNJADVIXSAMBQW-UHFFFAOYSA-N 0 0 445.998 5.674 50 0 IKAARN COc1ccc(CN(C(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2)cc1 ZINC000002254724 132250158 /nfs/dbraw/zinc/25/01/58/132250158.db2.gz BGUQWYPAUADZOR-UHFFFAOYSA-N 0 0 438.552 7.125 50 0 IKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002261788 132250701 /nfs/dbraw/zinc/25/07/01/132250701.db2.gz YVKCGDJIQAMRDG-BTYIYWSLSA-N 0 0 426.347 6.977 50 0 IKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl ZINC000002266594 132250704 /nfs/dbraw/zinc/25/07/04/132250704.db2.gz PHAHQWZBQIQTRX-OXJNMPFZSA-N 0 0 432.976 7.147 50 0 IKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl ZINC000002266596 132250858 /nfs/dbraw/zinc/25/08/58/132250858.db2.gz PHAHQWZBQIQTRX-JXFKEZNVSA-N 0 0 432.976 7.147 50 0 IKAARN Cc1nnc(SCC(=O)N2c3ccccc3-c3c(=S)ssc3C2(C)C)s1 ZINC000002267433 132250872 /nfs/dbraw/zinc/25/08/72/132250872.db2.gz LYRPWYQFIGLUBJ-UHFFFAOYSA-N 0 0 437.662 5.740 50 0 IKAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)Cc3cccc4ccccc43)c3ccccc32)cc1 ZINC000002270183 132250888 /nfs/dbraw/zinc/25/08/88/132250888.db2.gz NKQJVZPUAXXVPA-HKBQPEDESA-N 0 0 433.595 7.212 50 0 IKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl ZINC000002268144 132250893 /nfs/dbraw/zinc/25/08/93/132250893.db2.gz USPPXVKRCVRMPM-IIBYNOLFSA-N 0 0 441.358 6.351 50 0 IKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSC1=NCCS1 ZINC000002279645 132251044 /nfs/dbraw/zinc/25/10/44/132251044.db2.gz SPGPWZGNCAFRCU-QHCPKHFHSA-N 0 0 445.053 5.997 50 0 IKAARN Cc1cc(C)c2c(c1)C(C)=CC(C)(C)N2C(=O)N(C(=O)Nc1ccccc1)c1ccccc1 ZINC000002290516 132251405 /nfs/dbraw/zinc/25/14/05/132251405.db2.gz YSSUCLXSANMOEY-UHFFFAOYSA-N 0 0 439.559 7.164 50 0 IKAARN CC1=CC(C)(C)N(C(=O)NC2CCCCC2)c2ccc(OC(=O)NC3CCCCC3)cc21 ZINC000002291702 132251427 /nfs/dbraw/zinc/25/14/27/132251427.db2.gz JNZOZKMZPKKGBC-UHFFFAOYSA-N 0 0 439.600 6.152 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc3ccccc32)cc(OC)c1OC ZINC000002309146 132251837 /nfs/dbraw/zinc/25/18/37/132251837.db2.gz OVJVOLLFZASNGD-AREMUKBSSA-N 0 0 440.499 5.637 50 0 IKAARN Cc1cccc2c1N(C(=O)c1cccc3ccccc31)C(C)(C)c1ssc(=S)c1-2 ZINC000002314993 132252032 /nfs/dbraw/zinc/25/20/32/132252032.db2.gz KFYAPBXFZMSWDX-UHFFFAOYSA-N 0 0 433.623 7.563 50 0 IKAARN CC(=O)N1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)CC1 ZINC000002343654 132252675 /nfs/dbraw/zinc/25/26/75/132252675.db2.gz JDZNWICRCXLDRT-UHFFFAOYSA-N 0 0 448.375 5.129 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/nfs/dbraw/zinc/25/50/29/132255029.db2.gz ZVUXXIQNKYFQOV-UHFFFAOYSA-N 0 0 436.993 6.446 50 0 IKAARN Clc1ccc(CSc2nnc(CN3c4ccccc4Sc4ccccc43)o2)cc1 ZINC000002585198 132255147 /nfs/dbraw/zinc/25/51/47/132255147.db2.gz KKYMHSMGWTUDJQ-UHFFFAOYSA-N 0 0 437.977 6.818 50 0 IKAARN Cc1nc2c3ccccc3oc2c(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000002605690 132255308 /nfs/dbraw/zinc/25/53/08/132255308.db2.gz UHKKLUYEYMGTLP-UHFFFAOYSA-N 0 0 449.554 5.837 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000002638748 132255662 /nfs/dbraw/zinc/25/56/62/132255662.db2.gz KTCAYKCZNFIJMG-UHFFFAOYSA-N 0 0 427.342 5.083 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)c23)C1 ZINC000002679629 132256058 /nfs/dbraw/zinc/25/60/58/132256058.db2.gz HPFJQVYJFJHSIU-AWEZNQCLSA-N 0 0 432.515 5.162 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000002715873 132256488 /nfs/dbraw/zinc/25/64/88/132256488.db2.gz DPDOLNREVYTSEN-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002715237 132256504 /nfs/dbraw/zinc/25/65/04/132256504.db2.gz KBLAWJVQNXOOKK-WOJBJXKFSA-N 0 0 426.564 5.969 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1c1ccc(Br)cc1 ZINC000002747036 132256874 /nfs/dbraw/zinc/25/68/74/132256874.db2.gz XHZLLPYDOOOFMK-LJQANCHMSA-N 0 0 448.147 6.527 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3ccccc3n2)cc1C ZINC000002747459 132256882 /nfs/dbraw/zinc/25/68/82/132256882.db2.gz LULXIZYSVXRXDT-UHFFFAOYSA-N 0 0 449.598 6.098 50 0 IKAARN Cn1c2ccccc2c2cc([C@H]3Nc4ccccc4C(=O)N3c3ccc(Cl)cc3)ccc21 ZINC000002785186 132257124 /nfs/dbraw/zinc/25/71/24/132257124.db2.gz XASODDQFCAAZPN-SANMLTNESA-N 0 0 437.930 6.756 50 0 IKAARN Cn1c2ccccc2c2cc([C@@H]3Nc4ccccc4C(=O)N3c3ccc(Cl)cc3)ccc21 ZINC000002785187 132257141 /nfs/dbraw/zinc/25/71/41/132257141.db2.gz XASODDQFCAAZPN-AREMUKBSSA-N 0 0 437.930 6.756 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000002849015 132257611 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Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2ncnc(N3CCC(C)CC3)c12 ZINC000002924471 132258926 /nfs/dbraw/zinc/25/89/26/132258926.db2.gz FNWJQSXRBGKGCO-UHFFFAOYSA-N 0 0 434.487 5.507 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924247 132258931 /nfs/dbraw/zinc/25/89/31/132258931.db2.gz ILOYCPZCDQVOAW-LBPRGKRZSA-N 0 0 434.487 5.650 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2nc(C)nc(N3CCC(C)CC3)c12 ZINC000002924598 132259009 /nfs/dbraw/zinc/25/90/09/132259009.db2.gz RVPNURCWKNHGOW-UHFFFAOYSA-N 0 0 432.952 5.589 50 0 IKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 ZINC000002939928 132259350 /nfs/dbraw/zinc/25/93/50/132259350.db2.gz UANLEGANOHGWJI-KRWDZBQOSA-N 0 0 427.475 5.889 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)c3oc(=O)c4ccccc4c3-c3ccccc3)CC2)c1 ZINC000002939994 132259374 /nfs/dbraw/zinc/25/93/74/132259374.db2.gz FEIXWKGMTROMRJ-UHFFFAOYSA-N 0 0 438.527 5.039 50 0 IKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000002939926 132259388 /nfs/dbraw/zinc/25/93/88/132259388.db2.gz UANLEGANOHGWJI-QGZVFWFLSA-N 0 0 427.475 5.889 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(I)ccc1Cl ZINC000002936317 132259406 /nfs/dbraw/zinc/25/94/06/132259406.db2.gz PAPLVTBJSPLRFZ-UHFFFAOYSA-N 0 0 440.712 5.187 50 0 IKAARN COc1ccc(C(=O)N2c3cc(C)ccc3-c3c(=S)ssc3C2(C)C)cc1OC ZINC000003014308 132260433 /nfs/dbraw/zinc/26/04/33/132260433.db2.gz IROQUTOSFREPRF-UHFFFAOYSA-N 0 0 443.615 6.427 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3)cc1Cl ZINC000003030167 132260648 /nfs/dbraw/zinc/26/06/48/132260648.db2.gz GHJXBSZKXUUEHX-UHFFFAOYSA-N 0 0 440.927 5.679 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000003060728 132261497 /nfs/dbraw/zinc/26/14/97/132261497.db2.gz ZSRFLSZOSGHNHJ-UHFFFAOYSA-N 0 0 449.620 5.157 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NC[C@@H](C)c4ccccc4)cc3N(C)C2=O)c1 ZINC000003064259 132261722 /nfs/dbraw/zinc/26/17/22/132261722.db2.gz IOHHCJRQIDFISB-KWXFCVSUSA-N 0 0 442.584 5.638 50 0 IKAARN O=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)N1CCN(c2ccccc2)CC1 ZINC000003125746 132261882 /nfs/dbraw/zinc/26/18/82/132261882.db2.gz FRZDJTYJBUYMNZ-UHFFFAOYSA-N 0 0 449.038 5.773 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(F)cc2F)C(=O)N1c1ccccc1C(F)(F)F ZINC000003175091 132261979 /nfs/dbraw/zinc/26/19/79/132261979.db2.gz UWCBTJSSRLLBIE-FOWTUZBSSA-N 0 0 444.359 5.624 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1c2ccccc2Sc2ccccc21 ZINC000003165883 132261983 /nfs/dbraw/zinc/26/19/83/132261983.db2.gz DTTUHTOZLVZZLJ-UHFFFAOYSA-N 0 0 430.532 7.345 50 0 IKAARN CCCC[C@@H](CC)CN/C=C1\c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000003205211 132262240 /nfs/dbraw/zinc/26/22/40/132262240.db2.gz KGHLJBPWRRBGSW-FIOICXDGSA-N 0 0 444.497 6.039 50 0 IKAARN CCCC[C@H](CC)CN/C=C1\c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000003205215 132262264 /nfs/dbraw/zinc/26/22/64/132262264.db2.gz KGHLJBPWRRBGSW-JMMZKRSASA-N 0 0 444.497 6.039 50 0 IKAARN CC(=O)Oc1ccc(-c2ccc(C(=O)N3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000003215781 132262296 /nfs/dbraw/zinc/26/22/96/132262296.db2.gz YSOJCHZOLNJCEJ-UHFFFAOYSA-N 0 0 437.520 6.722 50 0 IKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 ZINC000003235047 132262429 /nfs/dbraw/zinc/26/24/29/132262429.db2.gz UXWSWCFDFDSZMC-VWLOTQADSA-N 0 0 439.386 7.520 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCc1ccc(Br)cc1 ZINC000003232735 132262508 /nfs/dbraw/zinc/26/25/08/132262508.db2.gz LXQHBGLKLYEUSV-UHFFFAOYSA-N 0 0 440.362 6.185 50 0 IKAARN C[C@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)N1CCCc2ccccc21 ZINC000003328842 132263926 /nfs/dbraw/zinc/26/39/26/132263926.db2.gz CHYNHYVUWQPCDT-INIZCTEOSA-N 0 0 440.590 5.080 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)n1-c1ccccc1 ZINC000003332830 132264071 /nfs/dbraw/zinc/26/40/71/132264071.db2.gz QEZFCUCPKQSRCD-GOSISDBHSA-N 0 0 444.560 5.296 50 0 IKAARN O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)N1CCCc2ccccc21 ZINC000003582028 132266162 /nfs/dbraw/zinc/26/61/62/132266162.db2.gz QDXADLXMENAMFA-UHFFFAOYSA-N 0 0 447.003 6.415 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003585919 132266432 /nfs/dbraw/zinc/26/64/32/132266432.db2.gz BDLASRGRMJEGPY-UUOWRZLLSA-N 0 0 448.563 5.094 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2 ZINC000003638554 132266764 /nfs/dbraw/zinc/26/67/64/132266764.db2.gz DYNXHCRIGXTTMJ-UHFFFAOYSA-N 0 0 440.996 5.599 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2 ZINC000003638595 132266786 /nfs/dbraw/zinc/26/67/86/132266786.db2.gz ZPEUHNVGPAPDSG-BEFAXECRSA-N 0 0 428.985 5.287 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)CS3)cc1 ZINC000003645345 132266805 /nfs/dbraw/zinc/26/68/05/132266805.db2.gz IIOZWKBJPDEGNE-UHFFFAOYSA-N 0 0 436.964 5.217 50 0 IKAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645338 132266808 /nfs/dbraw/zinc/26/68/08/132266808.db2.gz FIIJOVZHJYLDDX-UHFFFAOYSA-N 0 0 443.012 5.822 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000003645425 132266943 /nfs/dbraw/zinc/26/69/43/132266943.db2.gz WFFYTFNGWQDWEH-LIRRHRJNSA-N 0 0 446.975 5.427 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000003664102 132267319 /nfs/dbraw/zinc/26/73/19/132267319.db2.gz FZKJLMZNKFFLEP-HXUWFJFHSA-N 0 0 427.729 6.182 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000003664101 132267353 /nfs/dbraw/zinc/26/73/53/132267353.db2.gz FZKJLMZNKFFLEP-FQEVSTJZSA-N 0 0 427.729 6.182 50 0 IKAARN CC[C@H](Sc1nc2ccccc2s1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000003667202 132267475 /nfs/dbraw/zinc/26/74/75/132267475.db2.gz LXWHYJMZACTDMF-SFHVURJKSA-N 0 0 434.611 6.997 50 0 IKAARN CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000003666300 132267478 /nfs/dbraw/zinc/26/74/78/132267478.db2.gz NYFUAJMKVLTBDL-QHCPKHFHSA-N 0 0 441.358 6.799 50 0 IKAARN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000003666942 132267491 /nfs/dbraw/zinc/26/74/91/132267491.db2.gz XXGMWZFMNJVVJU-JOCHJYFZSA-N 0 0 427.331 6.553 50 0 IKAARN COc1ccccc1CN(C(=O)c1ccccc1)c1ccc(N2CCOCC2)c(Cl)c1 ZINC000004083438 132269523 /nfs/dbraw/zinc/26/95/23/132269523.db2.gz XACQWSLKZBSEAG-UHFFFAOYSA-N 0 0 436.939 5.032 50 0 IKAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2ccccc2c1 ZINC000004089833 132269543 /nfs/dbraw/zinc/26/95/43/132269543.db2.gz WUTFMRPKDRHFJW-UHFFFAOYSA-N 0 0 435.527 5.055 50 0 IKAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000004109425 132269659 /nfs/dbraw/zinc/26/96/59/132269659.db2.gz ZWBKFYFMYIHJKT-UHFFFAOYSA-N 0 0 427.548 5.055 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000004109882 132269989 /nfs/dbraw/zinc/26/99/89/132269989.db2.gz PJWAKHGRFQUXKH-UHFFFAOYSA-N 0 0 448.872 6.861 50 0 IKAARN Cc1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1 ZINC000004345301 132271730 /nfs/dbraw/zinc/27/17/30/132271730.db2.gz DODNLOAODPXBRZ-UHFFFAOYSA-N 0 0 427.552 5.033 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3)[C@@H]1C ZINC000004674962 132272634 /nfs/dbraw/zinc/27/26/34/132272634.db2.gz GZNYZDBQRWBYNT-QINHECLXSA-N 0 0 426.557 5.019 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757195 132273431 /nfs/dbraw/zinc/27/34/31/132273431.db2.gz VFZQLVVBQILVTN-ZCYQVOJMSA-N 0 0 438.543 5.158 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757045 132273438 /nfs/dbraw/zinc/27/34/38/132273438.db2.gz ORCYVCFLXGOVRD-ISKFKSNPSA-N 0 0 436.458 5.096 50 0 IKAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005451301 132275302 /nfs/dbraw/zinc/27/53/02/132275302.db2.gz ZLFVGLCFVSWFMP-MHZLTWQESA-N 0 0 426.560 5.856 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)N(c1ccc(C)cc1)C(=O)C2 ZINC000006742778 132278629 /nfs/dbraw/zinc/27/86/29/132278629.db2.gz UWRUISBQAXYRRD-MUUNZHRXSA-N 0 0 429.560 6.034 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)c1)N(c1ccc(CC)cc1)C(=O)C2 ZINC000006742772 132278632 /nfs/dbraw/zinc/27/86/32/132278632.db2.gz IMPTVPXMNXJPDT-NDEPHWFRSA-N 0 0 429.560 6.034 50 0 IKAARN CCc1cc(N2CCCC[C@@H]2C)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000006766280 132278634 /nfs/dbraw/zinc/27/86/34/132278634.db2.gz RTRHNSSJKQEAHY-SFHVURJKSA-N 0 0 426.630 5.096 50 0 IKAARN Cc1ccc(S(=O)(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000008440691 132281926 /nfs/dbraw/zinc/28/19/26/132281926.db2.gz ZZTJUHTUNPXPFW-VWLOTQADSA-N 0 0 440.008 6.332 50 0 IKAARN Cn1c(CNc2ccc(N3CCN(c4ccc(Cl)cc4)CC3)cc2)nc2ccccc21 ZINC000008438933 132281946 /nfs/dbraw/zinc/28/19/46/132281946.db2.gz GCTIZLHCRLKVIR-UHFFFAOYSA-N 0 0 431.971 5.165 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)nn2)cc1 ZINC000008592487 132284268 /nfs/dbraw/zinc/28/42/68/132284268.db2.gz HPUSLMGQLVQOIY-UHFFFAOYSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000008594554 132284654 /nfs/dbraw/zinc/28/46/54/132284654.db2.gz HEUAPCCVBKZPAZ-UHFFFAOYSA-N 0 0 438.940 5.440 50 0 IKAARN COc1ccc2cc3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)sc3nc2c1 ZINC000008594896 132284691 /nfs/dbraw/zinc/28/46/91/132284691.db2.gz IIBPSGSHZXFKDA-UHFFFAOYSA-N 0 0 437.952 5.074 50 0 IKAARN Cc1ccc(N2C(=O)CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000008597525 132285540 /nfs/dbraw/zinc/28/55/40/132285540.db2.gz DAZILJFDCOHQEO-VWLOTQADSA-N 0 0 432.520 5.004 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2nc1N1CCCCC1 ZINC000008607732 132287338 /nfs/dbraw/zinc/28/73/38/132287338.db2.gz IFDHHTQFQDYRNS-UHFFFAOYSA-N 0 0 434.849 5.545 50 0 IKAARN CCOc1cccc(CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1OCC ZINC000008607418 132287340 /nfs/dbraw/zinc/28/73/40/132287340.db2.gz NWZYMTLAPMSDSR-UHFFFAOYSA-N 0 0 447.579 5.512 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000008610153 132288008 /nfs/dbraw/zinc/28/80/08/132288008.db2.gz NCOJTILFYCNVOS-UHFFFAOYSA-N 0 0 432.589 5.436 50 0 aggregator IKAARN C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCc3cccc(F)c3)cc2)c2ccccc2S1 ZINC000008610286 132288111 /nfs/dbraw/zinc/28/81/11/132288111.db2.gz OZZOKYVIRLNXMI-INIZCTEOSA-N 0 0 435.524 5.288 50 0 aggregator IKAARN Cc1nn2c(nc(C)cc2N2CCN(c3cc(C)ccc3C)CC2)c1-c1ccc(Cl)cc1 ZINC000008610363 132288221 /nfs/dbraw/zinc/28/82/21/132288221.db2.gz YQFQKZQXIWYPPX-UHFFFAOYSA-N 0 0 445.998 5.610 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nccn1C ZINC000008661028 132289307 /nfs/dbraw/zinc/28/93/07/132289307.db2.gz NANLDOBSGAGUCD-UHFFFAOYSA-N 0 0 449.648 5.322 50 0 IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N2CCCC[C@@H]2C)n1)CCC4 ZINC000008657507 132289332 /nfs/dbraw/zinc/28/93/32/132289332.db2.gz CTJQSCSQRCYHSY-AWEZNQCLSA-N 0 0 426.655 6.027 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000008688108 132290543 /nfs/dbraw/zinc/29/05/43/132290543.db2.gz ZTAFQAUJCYSWEY-UHFFFAOYSA-N 0 0 429.145 5.110 50 0 IKAARN c1csc(-c2nc3ccccc3c(N3CCC[C@@H](c4nnc5n4CCCCC5)C3)n2)c1 ZINC000008704810 132290866 /nfs/dbraw/zinc/29/08/66/132290866.db2.gz ZMHGARDGMMBMDY-QGZVFWFLSA-N 0 0 430.581 5.060 50 0 IKAARN O=C(Nc1ccccc1O)C1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000008751741 132292850 /nfs/dbraw/zinc/29/28/50/132292850.db2.gz JCNMKBYABXAYLT-UHFFFAOYSA-N 0 0 448.523 5.058 50 0 IKAARN Cc1ccccc1N1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc2S1(=O)=O ZINC000008757140 132293131 /nfs/dbraw/zinc/29/31/31/132293131.db2.gz DRKPRBFMQRAFQL-UHFFFAOYSA-N 0 0 446.450 5.349 50 0 IKAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](Cc4ccccc4)C[C@@H]32)C(=O)C1 ZINC000008773628 132294082 /nfs/dbraw/zinc/29/40/82/132294082.db2.gz WGENJQBZVYXURO-WMZHIEFXSA-N 0 0 435.995 5.668 50 0 IKAARN CC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000008837853 132295739 /nfs/dbraw/zinc/29/57/39/132295739.db2.gz DNGZRQVACJLMBH-VWLOTQADSA-N 0 0 426.545 5.505 50 0 IKAARN COC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000008867209 132296630 /nfs/dbraw/zinc/29/66/30/132296630.db2.gz OHAQRXFDHWZILB-RUZDIDTESA-N 0 0 442.544 5.089 50 0 IKAARN CCCOc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1 ZINC000008911609 132297359 /nfs/dbraw/zinc/29/73/59/132297359.db2.gz BPMIYCWLGXMNGK-UHFFFAOYSA-N 0 0 446.616 5.826 50 0 IKAARN COc1cccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)c1OC ZINC000008911613 132297380 /nfs/dbraw/zinc/29/73/80/132297380.db2.gz KDDNFYOMGLUWFL-UHFFFAOYSA-N 0 0 448.588 5.055 50 0 IKAARN C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCCCc3ccccc3)cc2)c2ccccc2S1 ZINC000008912244 132297543 /nfs/dbraw/zinc/29/75/43/132297543.db2.gz IMKAYAGBZXBEFK-IBGZPJMESA-N 0 0 445.588 5.582 50 0 IKAARN CCc1ccccc1NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000008912795 132297769 /nfs/dbraw/zinc/29/77/69/132297769.db2.gz ULCWGVJMOSBUNA-UHFFFAOYSA-N 0 0 434.540 5.401 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)o2)cc1 ZINC000008966030 132298913 /nfs/dbraw/zinc/29/89/13/132298913.db2.gz GEMBPYCVPMYJDX-NRFANRHFSA-N 0 0 443.528 5.304 50 0 IKAARN CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000008993476 132300036 /nfs/dbraw/zinc/30/00/36/132300036.db2.gz FSURIVODEBZNRE-NRFANRHFSA-N 0 0 425.410 5.435 50 0 IKAARN CCOc1ccc2[nH]c3c(ncnc3N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000009016095 132300862 /nfs/dbraw/zinc/30/08/62/132300862.db2.gz QIYSAJXRLUYVPU-UHFFFAOYSA-N 0 0 442.350 5.143 50 0 IKAARN Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000009085856 132302186 /nfs/dbraw/zinc/30/21/86/132302186.db2.gz ZQQBWXNFGPEBLJ-KRWDZBQOSA-N 0 0 433.577 5.569 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 ZINC000009157393 132307300 /nfs/dbraw/zinc/30/73/00/132307300.db2.gz GXZVTGJMFCLTNS-GOSISDBHSA-N 0 0 429.295 5.010 50 0 IKAARN Cc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1)C(C)(C)C[C@]2(C)c1ccccc1 ZINC000009189989 132307892 /nfs/dbraw/zinc/30/78/92/132307892.db2.gz QCZLPNZAFVVJGM-AREMUKBSSA-N 0 0 448.404 6.893 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C(C)C)cc1)C(=O)C2 ZINC000009198655 132308224 /nfs/dbraw/zinc/30/82/24/132308224.db2.gz UJZWGUBBMQIOTR-SANMLTNESA-N 0 0 435.951 6.159 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)c1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000009198762 132308428 /nfs/dbraw/zinc/30/84/28/132308428.db2.gz KAMSWOVOYUWRKF-HHHXNRCGSA-N 0 0 431.532 5.480 50 0 IKAARN Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)N3CCN(c4ccccc4O)CC3)c2c1 ZINC000009209093 132308698 /nfs/dbraw/zinc/30/86/98/132308698.db2.gz NZGOYUCTAMHLGC-UHFFFAOYSA-N 0 0 445.588 5.192 50 0 IKAARN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000009209653 132308753 /nfs/dbraw/zinc/30/87/53/132308753.db2.gz DOWALOHIDSOVTB-UHFFFAOYSA-N 0 0 439.968 5.717 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 ZINC000009220633 132309464 /nfs/dbraw/zinc/30/94/64/132309464.db2.gz ZKNPBOIRFWTGCH-UHFFFAOYSA-N 0 0 433.552 5.133 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc(I)cc1 ZINC000009231938 132310121 /nfs/dbraw/zinc/31/01/21/132310121.db2.gz ZDGKGXKXVXVPHC-LJQANCHMSA-N 0 0 444.247 5.201 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000009229194 132310137 /nfs/dbraw/zinc/31/01/37/132310137.db2.gz YECRAWVNKYRFDL-UHFFFAOYSA-N 0 0 435.980 5.616 50 0 IKAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(Cl)cc1C ZINC000009250395 132310818 /nfs/dbraw/zinc/31/08/18/132310818.db2.gz PMQRITNLIGQRJD-UHFFFAOYSA-N 0 0 440.952 5.025 50 0 IKAARN Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1NC(=O)c1ccco1 ZINC000009322971 132313685 /nfs/dbraw/zinc/31/36/85/132313685.db2.gz DFTVBDAHRBSNNQ-UHFFFAOYSA-N 0 0 431.536 5.103 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)N2c3cc(C)c(C)cc3C(C)=CC2(C)C)c2ccccc2)s1 ZINC000009357789 132314375 /nfs/dbraw/zinc/31/43/75/132314375.db2.gz HHYTWNONGFBIMU-JOCHJYFZSA-N 0 0 449.645 6.525 50 0 IKAARN Cc1nc(COc2ccc(C(=O)N(C)Cc3ccccc3N3CCCCC3)cc2)cs1 ZINC000009379523 132314777 /nfs/dbraw/zinc/31/47/77/132314777.db2.gz QLGRNODSTWFATR-UHFFFAOYSA-N 0 0 435.593 5.293 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c3n2CCCCC3)cc1 ZINC000009406755 132315633 /nfs/dbraw/zinc/31/56/33/132315633.db2.gz HRPWRAXPWMERHA-UHFFFAOYSA-N 0 0 442.607 5.164 50 0 IKAARN O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000009407746 132315917 /nfs/dbraw/zinc/31/59/17/132315917.db2.gz NUYVLTKTYAAEJT-UHFFFAOYSA-N 0 0 444.984 5.776 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C(=O)N4CCCCCC4)CC3)c12 ZINC000009414579 132316246 /nfs/dbraw/zinc/31/62/46/132316246.db2.gz ZCALKQNOJDFQMP-UHFFFAOYSA-N 0 0 434.609 5.286 50 0 IKAARN COc1ccc([C@H]2n3c4ccccc4nc3-c3ccccc3N2Cc2ccccc2)cc1OC ZINC000009461167 132318089 /nfs/dbraw/zinc/31/80/89/132318089.db2.gz QUZMOJDAECAYKO-GDLZYMKVSA-N 0 0 447.538 6.288 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)o1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000009463572 132318210 /nfs/dbraw/zinc/31/82/10/132318210.db2.gz OQPQCOSWEZPBEC-IBGZPJMESA-N 0 0 446.557 5.104 50 0 IKAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009483543 132319056 /nfs/dbraw/zinc/31/90/56/132319056.db2.gz WECLSBCJWWPWQZ-UHFFFAOYSA-N 0 0 442.950 5.155 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C(=O)Nc4ccccc4O)CC3)c12 ZINC000009504181 132319648 /nfs/dbraw/zinc/31/96/48/132319648.db2.gz PIFTZPPKRQNFAR-UHFFFAOYSA-N 0 0 444.560 5.227 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)cc32)cc1 ZINC000009528939 132320520 /nfs/dbraw/zinc/32/05/20/132320520.db2.gz CEMPZSBXXZWEDK-HXUWFJFHSA-N 0 0 425.532 5.463 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)N2CCCc3ccccc32)cc1 ZINC000009529365 132320537 /nfs/dbraw/zinc/32/05/37/132320537.db2.gz XURZNBHTHGBBDD-UHFFFAOYSA-N 0 0 439.584 5.919 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5ccc(C)cc5C)CC4)cc32)cc1 ZINC000009529654 132320624 /nfs/dbraw/zinc/32/06/24/132320624.db2.gz MVMRVHWUMDCPOO-UHFFFAOYSA-N 0 0 425.532 5.382 50 0 IKAARN COc1ccc2cc3cc(C(=O)N4CCN(c5ccc(C)cc5)[C@H](C)C4)sc3nc2c1 ZINC000009561515 132321570 /nfs/dbraw/zinc/32/15/70/132321570.db2.gz ANUIHDRSQKWGQW-QGZVFWFLSA-N 0 0 431.561 5.117 50 0 IKAARN C[C@@H]1CN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)c2ccccc2S1 ZINC000009645393 132324791 /nfs/dbraw/zinc/32/47/91/132324791.db2.gz YQJBBTZZRYWVOU-GOSISDBHSA-N 0 0 435.618 5.343 50 0 IKAARN Cc1ccc(N2C3=C(Cc4cc(Cl)ccc4O3)C(=S)N[C@H]2c2cccs2)cc1F ZINC000009673663 132325394 /nfs/dbraw/zinc/32/53/94/132325394.db2.gz JMLKJGVDVTWQRF-HXUWFJFHSA-N 0 0 442.968 6.132 50 0 IKAARN COc1cccc2c1OC1=C(C2)C(=S)N[C@@H](c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000009673606 132325436 /nfs/dbraw/zinc/32/54/36/132325436.db2.gz PIURFFMVTISZHX-JOCHJYFZSA-N 0 0 436.483 5.256 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000009692851 132326147 /nfs/dbraw/zinc/32/61/47/132326147.db2.gz WLZYGRUINPBLSI-UUOWRZLLSA-N 0 0 448.563 5.094 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NCc3cccs3)C2=O)cc1 ZINC000009692904 132326174 /nfs/dbraw/zinc/32/61/74/132326174.db2.gz CPSWSATURYKHHE-VGSWGCGISA-N 0 0 436.602 5.017 50 0 IKAARN Cc1ccc(CNC(=O)[C@H](C)[C@@H]2Sc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000009692892 132326210 /nfs/dbraw/zinc/32/62/10/132326210.db2.gz UXRJCYGMINBAGY-NLFFAJNJSA-N 0 0 444.600 5.263 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000009692891 132326229 /nfs/dbraw/zinc/32/62/29/132326229.db2.gz UXRJCYGMINBAGY-CPJSRVTESA-N 0 0 444.600 5.263 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCc3ccccc3)C2=O)c1 ZINC000009692989 132326335 /nfs/dbraw/zinc/32/63/35/132326335.db2.gz LBAAUYZQHUNHSC-NBGIEHNGSA-N 0 0 444.600 5.263 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NC3CCCCC3)C2=O)c1 ZINC000009692985 132326401 /nfs/dbraw/zinc/32/64/01/132326401.db2.gz SBJHHVADLPWRHJ-NTKDMRAZSA-N 0 0 436.621 5.396 50 0 IKAARN COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(Cl)c1 ZINC000009849141 132330124 /nfs/dbraw/zinc/33/01/24/132330124.db2.gz HSHUEUUUGTWZJD-DNVCBOLYSA-N 0 0 437.721 5.189 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)cc1 ZINC000009962415 132332826 /nfs/dbraw/zinc/33/28/26/132332826.db2.gz FSHDAQDYQVKLTA-UHFFFAOYSA-N 0 0 434.630 5.493 50 0 IKAARN Cc1cccc(N2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1C ZINC000012991149 132341524 /nfs/dbraw/zinc/34/15/24/132341524.db2.gz PNQUSSFOXYVWMZ-KRWDZBQOSA-N 0 0 430.474 5.255 50 0 IKAARN COc1ccccc1[C@H]1[C@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC000013039254 132343143 /nfs/dbraw/zinc/34/31/43/132343143.db2.gz AVPSPJJCBUHCHH-SQHAQQRYSA-N 0 0 442.559 5.743 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)CCC4)[C@@H]2c2cccs2)cc1 ZINC000013040495 132343292 /nfs/dbraw/zinc/34/32/92/132343292.db2.gz RWRUBUFZHDDDPX-RCZVLFRGSA-N 0 0 430.573 5.668 50 0 IKAARN O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013056908 132343511 /nfs/dbraw/zinc/34/35/11/132343511.db2.gz ITCIPNMTKXGIPI-UHFFFAOYSA-N 0 0 433.166 5.061 50 0 IKAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000013070243 132344010 /nfs/dbraw/zinc/34/40/10/132344010.db2.gz FOPPEBIIIMFZNG-ATIYNZHBSA-N 0 0 444.531 5.135 50 0 IKAARN CC(C)(C)c1ccc(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000013097580 132344381 /nfs/dbraw/zinc/34/43/81/132344381.db2.gz AVZGUDUPXQSRHG-UHFFFAOYSA-N 0 0 448.485 5.040 50 0 IKAARN CCOc1ccccc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013109598 132344613 /nfs/dbraw/zinc/34/46/13/132344613.db2.gz OOBOXXWISHTQPS-UHFFFAOYSA-N 0 0 433.577 5.397 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000013116981 132344908 /nfs/dbraw/zinc/34/49/08/132344908.db2.gz WAXVCMPSGKPKQY-HXUWFJFHSA-N 0 0 447.491 5.135 50 0 IKAARN COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccccc2C)CCC(=O)N1c1ccc(C)cc1 ZINC000013119980 132345235 /nfs/dbraw/zinc/34/52/35/132345235.db2.gz LSLSVKPBFHPNAP-GJZUVCINSA-N 0 0 428.532 5.435 50 0 IKAARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)c2c1C ZINC000013135383 132345675 /nfs/dbraw/zinc/34/56/75/132345675.db2.gz QQUMFHBVEMMYTD-UHFFFAOYSA-N 0 0 426.611 5.338 50 0 IKAARN Cc1ccc(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c(C)c1 ZINC000013425584 132346838 /nfs/dbraw/zinc/34/68/38/132346838.db2.gz HHCLWGWGIHWMPD-KGENOOAVSA-N 0 0 436.433 5.962 50 0 IKAARN CC(C)c1ccccc1NC(=S)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013469203 132347029 /nfs/dbraw/zinc/34/70/29/132347029.db2.gz JIOMXSLKYUSSQD-UHFFFAOYSA-N 0 0 442.938 5.396 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2)[C@H]2C[C@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 ZINC000013510786 132349091 /nfs/dbraw/zinc/34/90/91/132349091.db2.gz XKRAANNKPJEXFV-FNZWTVRRSA-N 0 0 442.559 5.865 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4c(C)cccc4C)ccc32)cc1 ZINC000013583662 132351038 /nfs/dbraw/zinc/35/10/38/132351038.db2.gz NQXGBIJZCGYWEO-UHFFFAOYSA-N 0 0 434.561 5.006 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cccc(C)c4C)ccc32)cc1 ZINC000013583655 132351049 /nfs/dbraw/zinc/35/10/49/132351049.db2.gz MQQZQXXOYAFHHQ-UHFFFAOYSA-N 0 0 434.561 5.006 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583518 132351056 /nfs/dbraw/zinc/35/10/56/132351056.db2.gz NYCWBAIFOPVLTE-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000013688091 132353588 /nfs/dbraw/zinc/35/35/88/132353588.db2.gz LYDHWOMFCGWYGC-UHFFFAOYSA-N 0 0 431.561 5.201 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(N2CCCC[C@@H]2C)n1)CCC4 ZINC000013786541 132354523 /nfs/dbraw/zinc/35/45/23/132354523.db2.gz IDSDHUYHVAFTBA-HNNXBMFYSA-N 0 0 446.645 6.496 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2ccc(C)cc2)c2ccccc21 ZINC000013940837 132355391 /nfs/dbraw/zinc/35/53/91/132355391.db2.gz HRYUMIHLYXRGMP-IBVKSMDESA-N 0 0 428.532 5.293 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3n2)c1 ZINC000013893639 132355440 /nfs/dbraw/zinc/35/54/40/132355440.db2.gz MQVYJAFMYMJAHG-UHFFFAOYSA-N 0 0 425.507 5.312 50 0 IKAARN CCCCCC(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000013946369 132355550 /nfs/dbraw/zinc/35/55/50/132355550.db2.gz LDRKKQNVOUJCCS-UHFFFAOYSA-N 0 0 441.444 5.228 50 0 IKAARN Cc1cc2oc(=O)c(CC(=O)NCc3ccc(F)cc3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000011867447 518188166 /nfs/dbraw/zinc/18/81/66/518188166.db2.gz VQHBCIIGHFURDB-UHFFFAOYSA-N 0 0 435.495 5.452 50 0 IKAARN Brc1ccc(-c2csc3ncnc(Oc4ccc5ccccc5c4)c23)cc1 ZINC000008432148 518207523 /nfs/dbraw/zinc/20/75/23/518207523.db2.gz UEGJAROVVVOVCT-UHFFFAOYSA-N 0 0 433.330 7.066 50 0 IKAARN Brc1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1 ZINC000033262496 518207875 /nfs/dbraw/zinc/20/78/75/518207875.db2.gz PCQGILOPIOQVJF-UHFFFAOYSA-N 0 0 425.311 5.248 50 0 IKAARN Brc1ccc([C@H]2OC(c3cccs3)=Nc3cc4c(cc32)OCCO4)cc1 ZINC000012854853 518215952 /nfs/dbraw/zinc/21/59/52/518215952.db2.gz NDJBKEQTMHAMPM-LJQANCHMSA-N 0 0 428.307 5.480 50 0 IKAARN Brc1ccc([C@@H](NCCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021367006 518216055 /nfs/dbraw/zinc/21/60/55/518216055.db2.gz KYKSNCCSTPCWAJ-OAQYLSRUSA-N 0 0 434.337 5.421 50 0 IKAARN Brc1ccccc1-c1noc(CSc2ccc(-c3ccccc3)nn2)n1 ZINC000033262428 518224366 /nfs/dbraw/zinc/22/43/66/518224366.db2.gz SVEDZJKFDFXTKL-UHFFFAOYSA-N 0 0 425.311 5.248 50 0 IKAARN CC(=O)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cs1 ZINC000012758708 518261192 /nfs/dbraw/zinc/26/11/92/518261192.db2.gz ZWHARZDDNQWCCM-IBGZPJMESA-N 0 0 435.520 5.492 50 0 IKAARN CC(=O)c1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cs1 ZINC000012432215 518274637 /nfs/dbraw/zinc/27/46/37/518274637.db2.gz COADXGQLFKWAEU-NRFANRHFSA-N 0 0 435.549 5.131 50 0 IKAARN CC(=O)c1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cs1 ZINC000012315084 518275884 /nfs/dbraw/zinc/27/58/84/518275884.db2.gz HWSGRAOFRUWQNT-QFIPXVFZSA-N 0 0 435.549 5.131 50 0 IKAARN CC(=O)c1cc(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)cs1 ZINC000012593458 518276705 /nfs/dbraw/zinc/27/67/05/518276705.db2.gz DFDBLVYTDLUIKF-NRFANRHFSA-N 0 0 435.593 5.170 50 0 IKAARN CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012636550 518281070 /nfs/dbraw/zinc/28/10/70/518281070.db2.gz YDQZPPZBUCHMRP-UHFFFAOYSA-N 0 0 439.739 5.598 50 0 IKAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)s1 ZINC000012112377 518309140 /nfs/dbraw/zinc/30/91/40/518309140.db2.gz AQQHVNMSFDWMQS-IBGZPJMESA-N 0 0 435.520 5.492 50 0 IKAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2sccc2Cl)C3)c1 ZINC000012168036 518338783 /nfs/dbraw/zinc/33/87/83/518338783.db2.gz OTMTXPXLKFTCNN-MRXNPFEDSA-N 0 0 443.927 5.452 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCCC2)cc1 ZINC000020310817 518361668 /nfs/dbraw/zinc/36/16/68/518361668.db2.gz OJXHFTIHZXRMIB-UHFFFAOYSA-N 0 0 449.576 5.225 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSCc2ccc(-c3nc(-c4ccc(C)cc4)no3)o2)cc1 ZINC000033262415 518362245 /nfs/dbraw/zinc/36/22/45/518362245.db2.gz MKKLOLZMLSPLJG-UHFFFAOYSA-N 0 0 447.516 5.380 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000012619005 518362329 /nfs/dbraw/zinc/36/23/29/518362329.db2.gz DMKKRJWQNGVGJN-UHFFFAOYSA-N 0 0 429.545 5.212 50 0 IKAARN CC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000012479342 518368532 /nfs/dbraw/zinc/36/85/32/518368532.db2.gz ACTNYBUNURCCED-XMMPIXPASA-N 0 0 426.516 5.683 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc42)C3=O)cc1 ZINC000001510887 518379515 /nfs/dbraw/zinc/37/95/15/518379515.db2.gz LEFVZMLZMITZLR-UHFFFAOYSA-N 0 0 434.451 5.095 50 0 IKAARN CC(=O)c1cccc(NC(=O)C(=Cc2cccc3ccccc23)NC(=O)c2ccccc2)c1 ZINC000033336530 518423201 /nfs/dbraw/zinc/42/32/01/518423201.db2.gz DRCNGBLAKSFVEV-NLRVBDNBSA-N 0 0 434.495 5.452 50 0 IKAARN CC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1 ZINC000021363429 518438986 /nfs/dbraw/zinc/43/89/86/518438986.db2.gz JOSFCAYUGHJWMD-UHFFFAOYSA-N 0 0 425.488 6.472 50 0 IKAARN CC(C)(C)C(=O)N1CCC(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000012876364 518558058 /nfs/dbraw/zinc/55/80/58/518558058.db2.gz OIBOJTQLZPOXQE-UHFFFAOYSA-N 0 0 449.620 5.157 50 0 IKAARN CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000012381308 518580191 /nfs/dbraw/zinc/58/01/91/518580191.db2.gz FNHAIBNDCLRAGR-UHFFFAOYSA-N 0 0 427.976 5.254 50 0 IKAARN CC(C)(C)OC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035840281 518798321 /nfs/dbraw/zinc/79/83/21/518798321.db2.gz XCVWEBXBBHZWTR-UHFFFAOYSA-N 0 0 426.325 5.268 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 ZINC000012849845 518839760 /nfs/dbraw/zinc/83/97/60/518839760.db2.gz SJXYRNGXXSAGBX-UHFFFAOYSA-N 0 0 428.579 5.999 50 0 IKAARN CC(C)(C)OC(=O)n1cc(C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c2ccccc21 ZINC000091690232 518863677 /nfs/dbraw/zinc/86/36/77/518863677.db2.gz RRLMJQDGGKFFTI-KRWDZBQOSA-N 0 0 430.545 5.339 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4cccc(Cl)c4)[nH]c(=O)c23)C1 ZINC000021352269 518946871 /nfs/dbraw/zinc/94/68/71/518946871.db2.gz BCLBTKATZGWUGB-CYBMUJFWSA-N 0 0 444.000 5.360 50 0 IKAARN CC(C)(C)c1cc(NC(=O)Cc2csc(-c3ccsc3)n2)n(Cc2ccccc2)n1 ZINC000012824475 519004292 /nfs/dbraw/zinc/00/42/92/519004292.db2.gz HFNKNWGTHHJAMK-UHFFFAOYSA-N 0 0 436.606 5.595 50 0 IKAARN CC(C)(C)c1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)cc1 ZINC000035459938 519009129 /nfs/dbraw/zinc/00/91/29/519009129.db2.gz HCIRSGDECFRVSD-UHFFFAOYSA-N 0 0 443.551 5.063 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 ZINC000012381672 519014561 /nfs/dbraw/zinc/01/45/61/519014561.db2.gz SDHKXZGXEAOKEO-UHFFFAOYSA-N 0 0 446.635 5.318 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000012567626 519017999 /nfs/dbraw/zinc/01/79/99/519017999.db2.gz ZFZKHMFKNQOZAY-FQEVSTJZSA-N 0 0 435.593 5.077 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3F)cc2)cc1 ZINC000035912187 519021235 /nfs/dbraw/zinc/02/12/35/519021235.db2.gz CMVZOJDZRWAHQU-VWLOTQADSA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(F)c3)cc2)cc1 ZINC000035927284 519021248 /nfs/dbraw/zinc/02/12/48/519021248.db2.gz BPIAHSAJRWURHR-VWLOTQADSA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(F)cc2)cc1 ZINC000020444384 519023724 /nfs/dbraw/zinc/02/37/24/519023724.db2.gz DPBAGKYXNRSKHL-UHFFFAOYSA-N 0 0 429.499 5.077 50 0 IKAARN CC(C)(C)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000012658482 519025420 /nfs/dbraw/zinc/02/54/20/519025420.db2.gz JZAMHYSJSLAJPU-UHFFFAOYSA-N 0 0 426.610 7.792 50 0 IKAARN CC(C)(C)c1ccc(CSc2nnc(NC(=O)COCc3ccccc3)s2)cc1 ZINC000035912965 519031533 /nfs/dbraw/zinc/03/15/33/519031533.db2.gz RSMDNTFLEFHPBP-UHFFFAOYSA-N 0 0 427.595 5.283 50 0 IKAARN CC(C)(C)c1ccc(CSc2ncc(CO)n2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000035841297 519032855 /nfs/dbraw/zinc/03/28/55/519032855.db2.gz WDJOKDURIJMEJD-UHFFFAOYSA-N 0 0 434.527 6.032 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000035928187 519033960 /nfs/dbraw/zinc/03/39/60/519033960.db2.gz OBOJDUBCMSLEJK-RUZDIDTESA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000035928094 519033991 /nfs/dbraw/zinc/03/39/91/519033991.db2.gz JMXFOMFACMPHMP-VWLOTQADSA-N 0 0 436.621 6.282 50 0 IKAARN CC(C)(C)c1ccc(OCc2ccc(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)o2)cc1 ZINC000035679221 519041435 /nfs/dbraw/zinc/04/14/35/519041435.db2.gz KDVXWHQYYFPFHU-UHFFFAOYSA-N 0 0 432.564 6.674 50 0 IKAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000012565331 519042315 /nfs/dbraw/zinc/04/23/15/519042315.db2.gz AAOHXZLWBSGPST-UHFFFAOYSA-N 0 0 442.386 6.800 50 0 IKAARN CC(C)(C)c1ccc(Oc2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000035225634 519044334 /nfs/dbraw/zinc/04/43/34/519044334.db2.gz WRSBPINNJXXVQS-UHFFFAOYSA-N 0 0 429.564 5.129 50 0 IKAARN CC(C)(C)c1ccc([C@@H](CC(=O)N2CCC3(CC2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000035893064 519047573 /nfs/dbraw/zinc/04/75/73/519047573.db2.gz CQKXCSJYRNHNEB-HSZRJFAPSA-N 0 0 446.591 5.353 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016752424 519049080 /nfs/dbraw/zinc/04/90/80/519049080.db2.gz HSIFIIHOQKDRPI-RUZDIDTESA-N 0 0 437.539 5.878 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000035818775 519050396 /nfs/dbraw/zinc/05/03/96/519050396.db2.gz RSZSSIICSXCYHS-JOCHJYFZSA-N 0 0 441.497 6.442 50 0 IKAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016752420 519052377 /nfs/dbraw/zinc/05/23/77/519052377.db2.gz HSIFIIHOQKDRPI-VWLOTQADSA-N 0 0 437.539 5.878 50 0 IKAARN CC(C)(CNC(=O)c1ccc(Cl)c(Cl)c1)SCc1cccc(C(F)(F)F)c1 ZINC000012856119 519261148 /nfs/dbraw/zinc/26/11/48/519261148.db2.gz JQZQWOGPWJIGAM-UHFFFAOYSA-N 0 0 436.326 6.454 50 0 IKAARN C=Cc1ccc(CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)cc1 ZINC000035529268 519318961 /nfs/dbraw/zinc/31/89/61/519318961.db2.gz CPZNAEGKBDTEPM-UHFFFAOYSA-N 0 0 430.558 5.089 50 0 IKAARN CC(C)C(=O)N(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000035977760 519452636 /nfs/dbraw/zinc/45/26/36/519452636.db2.gz SSEBWZHQWWFKOT-UHFFFAOYSA-N 0 0 449.570 6.322 50 0 IKAARN CC(C)C(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000035977807 519454670 /nfs/dbraw/zinc/45/46/70/519454670.db2.gz SDSVCGMBOHGLHY-UHFFFAOYSA-N 0 0 429.520 5.657 50 0 IKAARN CC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000035975463 519465678 /nfs/dbraw/zinc/46/56/78/519465678.db2.gz XIPJFLJXXVVDKB-QFIPXVFZSA-N 0 0 439.943 5.154 50 0 IKAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000015881593 519466275 /nfs/dbraw/zinc/46/62/75/519466275.db2.gz QOZAZFQXSROLFC-UHFFFAOYSA-N 0 0 443.334 5.835 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cs1)c1cccc(Cl)c1 ZINC000012893121 519473634 /nfs/dbraw/zinc/47/36/34/519473634.db2.gz WZBPHMJLWUQLIN-ODLFYWEKSA-N 0 0 437.908 5.134 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2ccccc2C(C)(C)C)cs1)c1ccccc1F ZINC000021336274 519473849 /nfs/dbraw/zinc/47/38/49/519473849.db2.gz BRDSRNNZBMAQAY-BUHFOSPRSA-N 0 0 437.540 5.916 50 0 IKAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCCC2)cs1)c1cccc(C)c1C ZINC000012805086 519479406 /nfs/dbraw/zinc/47/94/06/519479406.db2.gz SVAZLRYQTRBWAI-UHFFFAOYSA-N 0 0 442.614 5.229 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccco1 ZINC000012825732 519487390 /nfs/dbraw/zinc/48/73/90/519487390.db2.gz XXMKUGZAVATSKE-UHFFFAOYSA-N 0 0 438.525 5.240 50 0 IKAARN CC(C)Cn1cc(NC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c2ccccc2c1=O ZINC000020847863 519514480 /nfs/dbraw/zinc/51/44/80/519514480.db2.gz ZNWKTQRSEFBYBN-UHFFFAOYSA-N 0 0 432.568 5.538 50 0 IKAARN CC(C)C(=O)Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2cccc(F)c2)cc1 ZINC000037385455 519516020 /nfs/dbraw/zinc/51/60/20/519516020.db2.gz IILKTKXSTJIMET-UHFFFAOYSA-N 0 0 448.473 5.386 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)[C@H](C)C(C)C)c1 ZINC000035944623 519521879 /nfs/dbraw/zinc/52/18/79/519521879.db2.gz QKWVJHKUOUVADU-GOSISDBHSA-N 0 0 444.019 5.687 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)NC(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000035946318 519522747 /nfs/dbraw/zinc/52/27/47/519522747.db2.gz FCOPUSKTEOXZSZ-LJQANCHMSA-N 0 0 438.616 5.418 50 0 IKAARN CC(C)CC(=O)Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2ccco2)cc1 ZINC000037385567 519604492 /nfs/dbraw/zinc/60/44/92/519604492.db2.gz FBPSGGWVAFYXQM-UHFFFAOYSA-N 0 0 434.471 5.230 50 0 IKAARN CC(C)CCC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 ZINC000011966135 519632838 /nfs/dbraw/zinc/63/28/38/519632838.db2.gz DTXVTMQADWQGHQ-HXUWFJFHSA-N 0 0 432.543 5.487 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cccc(F)c1 ZINC000032997565 519638996 /nfs/dbraw/zinc/63/89/96/519638996.db2.gz KYPGTYTUIQKIGY-QFIPXVFZSA-N 0 0 438.528 5.178 50 0 IKAARN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(=O)NC(C)(C)C ZINC000035980899 519653237 /nfs/dbraw/zinc/65/32/37/519653237.db2.gz AVNFFDDVVFGPJJ-UHFFFAOYSA-N 0 0 438.547 5.737 50 0 IKAARN CC(C)CCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(OCc2ccccc2)c1 ZINC000035768515 519656585 /nfs/dbraw/zinc/65/65/85/519656585.db2.gz MTLGBFZMEGMBGU-AREMUKBSSA-N 0 0 440.587 6.431 50 0 IKAARN CC(C)N(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035981319 519664119 /nfs/dbraw/zinc/66/41/19/519664119.db2.gz YQPPOMQTXSPOCG-UHFFFAOYSA-N 0 0 435.877 5.654 50 0 IKAARN CC(=O)N[C@@H](CC(=O)N[C@@H](c1cccs1)c1ccc(C(C)C)cc1)c1cccs1 ZINC000022542845 519684455 /nfs/dbraw/zinc/68/44/55/519684455.db2.gz HRGKYWXXRGBIRP-WMZHIEFXSA-N 0 0 426.607 5.406 50 0 IKAARN CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000012861218 519695660 /nfs/dbraw/zinc/69/56/60/519695660.db2.gz DADHACSINYINTK-ZJSXRUAMSA-N 0 0 438.980 5.143 50 0 IKAARN CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)c1ccc(C(C)C)cc1)c1cccs1 ZINC000022542843 519696582 /nfs/dbraw/zinc/69/65/82/519696582.db2.gz HRGKYWXXRGBIRP-XXBNENTESA-N 0 0 426.607 5.406 50 0 IKAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000033037291 519701707 /nfs/dbraw/zinc/70/17/07/519701707.db2.gz AGLNBRLWQUBTRB-UHFFFAOYSA-N 0 0 446.457 5.337 50 0 IKAARN CC(=O)Nc1cc(-c2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)ccc1C ZINC000033257252 519702796 /nfs/dbraw/zinc/70/27/96/519702796.db2.gz AMGGCHFDZCSWCO-UHFFFAOYSA-N 0 0 427.464 5.314 50 0 IKAARN CC(=O)Nc1cc(-c2nc(-c3cccc(NC(=O)Nc4ccccc4)c3)no2)ccc1C ZINC000035481903 519703027 /nfs/dbraw/zinc/70/30/27/519703027.db2.gz OOCKLNSOZYLRIR-UHFFFAOYSA-N 0 0 427.464 5.314 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3cc(C)ccc3n2)cc1 ZINC000033106371 519708017 /nfs/dbraw/zinc/70/80/17/519708017.db2.gz CFHVGAPEJWXHKA-UHFFFAOYSA-N 0 0 431.442 5.699 50 0 IKAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 ZINC000012903107 519711556 /nfs/dbraw/zinc/71/15/56/519711556.db2.gz XVGJSDHKQNHTNZ-MRXNPFEDSA-N 0 0 427.529 5.619 50 0 IKAARN CC(C)CN(CCC(=O)N1CCCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008136 519715137 /nfs/dbraw/zinc/71/51/37/519715137.db2.gz XLFVRIQTSMOGCD-UHFFFAOYSA-N 0 0 436.987 5.425 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)c1cccs1 ZINC000035977789 519717622 /nfs/dbraw/zinc/71/76/22/519717622.db2.gz UMPNCKJBJOETPL-UHFFFAOYSA-N 0 0 445.588 6.239 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)NC(C)C ZINC000035978678 519717628 /nfs/dbraw/zinc/71/76/28/519717628.db2.gz HLASHQXHUKLADY-UHFFFAOYSA-N 0 0 438.547 5.595 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000012379670 519725895 /nfs/dbraw/zinc/72/58/95/519725895.db2.gz DFUMBPLWCBGHFR-UHFFFAOYSA-N 0 0 432.867 5.268 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000020943375 519725919 /nfs/dbraw/zinc/72/59/19/519725919.db2.gz WKSSPINLJXYCDT-UHFFFAOYSA-N 0 0 439.519 5.125 50 0 IKAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn32)cc1 ZINC000021799122 519727480 /nfs/dbraw/zinc/72/74/80/519727480.db2.gz VNDVDBRQQLQVRR-UHFFFAOYSA-N 0 0 443.404 5.565 50 0 IKAARN CC(C)CNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1 ZINC000034679860 519735618 /nfs/dbraw/zinc/73/56/18/519735618.db2.gz OCNOSOWXWAAODD-OBGWFSINSA-N 0 0 426.560 5.248 50 0 IKAARN CC(C)CNC(=O)c1cc2c(cccc2OCc2ccccc2F)n1Cc1ccccc1 ZINC000035910790 519741627 /nfs/dbraw/zinc/74/16/27/519741627.db2.gz XDKNNSOBMFRMNT-UHFFFAOYSA-N 0 0 430.523 5.794 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)c1 ZINC000012382813 519743955 /nfs/dbraw/zinc/74/39/55/519743955.db2.gz IOMVBOWHKYCXSX-UHFFFAOYSA-N 0 0 439.515 5.900 50 0 IKAARN CC(=O)Nc1cccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000012554737 519744774 /nfs/dbraw/zinc/74/47/74/519744774.db2.gz XRIRLDRDHLHYRG-OAQYLSRUSA-N 0 0 427.426 5.456 50 0 IKAARN CC(=O)O[C@@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@H](c2ccc(C)cc2)C1(C)C ZINC000001075125 519757324 /nfs/dbraw/zinc/75/73/24/519757324.db2.gz VFYZBKMASOPBDO-DHIUTWEWSA-N 0 0 428.960 5.282 50 0 IKAARN CC(=O)O[C@H](C(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21)c1ccccc1 ZINC000001072955 519757780 /nfs/dbraw/zinc/75/77/80/519757780.db2.gz JEBRDMJUKDSQIY-NRFANRHFSA-N 0 0 443.446 6.139 50 0 IKAARN CC(=O)Oc1ccc(Br)cc1/C=C/c1cc(OC(C)=O)c2ccccc2n1 ZINC000012380017 519758796 /nfs/dbraw/zinc/75/87/96/519758796.db2.gz JWWAQZYNEQUXCX-VQHVLOKHSA-N 0 0 426.266 5.018 50 0 IKAARN CC(C)Oc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035560792 519780020 /nfs/dbraw/zinc/78/00/20/519780020.db2.gz HUBIHJLOOARZNC-UHFFFAOYSA-N 0 0 437.503 5.746 50 0 IKAARN CC(C)Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012192451 519784820 /nfs/dbraw/zinc/78/48/20/519784820.db2.gz NIFJYAHTPLYRHT-UHSQPCAPSA-N 0 0 434.539 6.869 50 0 IKAARN CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NC(=O)C3CCC3)c2)n1 ZINC000037385225 519785625 /nfs/dbraw/zinc/78/56/25/519785625.db2.gz KFQMXYJJSQPYII-UHFFFAOYSA-N 0 0 444.457 5.479 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000035945170 519791319 /nfs/dbraw/zinc/79/13/19/519791319.db2.gz PKQUTUUMNWMBRI-QGZVFWFLSA-N 0 0 440.563 5.319 50 0 IKAARN CC(C)[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 ZINC000012773080 519797348 /nfs/dbraw/zinc/79/73/48/519797348.db2.gz OMABBPLEFUWDIX-OAQYLSRUSA-N 0 0 436.474 5.405 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000024749302 519798238 /nfs/dbraw/zinc/79/82/38/519798238.db2.gz VOEKABCXQHWOBM-JOCHJYFZSA-N 0 0 449.620 5.425 50 0 IKAARN CC(C)[C@@H]1O[C@@H](c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)OCC1(C)C ZINC000012401259 519807592 /nfs/dbraw/zinc/80/75/92/519807592.db2.gz XFTCCBHTEDMMLI-XCZPVHLTSA-N 0 0 443.587 6.553 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000035944679 519811984 /nfs/dbraw/zinc/81/19/84/519811984.db2.gz PIJUUJGUAJXCSI-SFHVURJKSA-N 0 0 439.575 5.317 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl ZINC000035544349 519825843 /nfs/dbraw/zinc/82/58/43/519825843.db2.gz OGWPBRLXWMQHMA-FRFSOERESA-N 0 0 433.397 5.633 50 0 IKAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)no1 ZINC000021718920 519833743 /nfs/dbraw/zinc/83/37/43/519833743.db2.gz KXKBQZGCJTXAEX-QGZVFWFLSA-N 0 0 430.302 5.193 50 0 IKAARN CC(C)c1ccc(-c2nc(CSc3nnc(NCc4ccccc4)s3)cs2)cc1 ZINC000023908232 519833803 /nfs/dbraw/zinc/83/38/03/519833803.db2.gz OIWFPPGQKVQHPQ-UHFFFAOYSA-N 0 0 438.647 6.689 50 0 IKAARN CC(C)c1ccc(-c2noc(COC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)n2)cc1 ZINC000022057048 519833949 /nfs/dbraw/zinc/83/39/49/519833949.db2.gz CGDARFZVTRASTP-UHFFFAOYSA-N 0 0 441.702 5.154 50 0 IKAARN CC(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000012415241 519833994 /nfs/dbraw/zinc/83/39/94/519833994.db2.gz BTIMUHMKMNGSQJ-UHFFFAOYSA-N 0 0 445.972 5.082 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c(C(=O)NCc3ccccc3Cl)cc3c2CCCC3=O)cc1 ZINC000033126776 519834042 /nfs/dbraw/zinc/83/40/42/519834042.db2.gz PPQFJSYFHFPSJJ-UHFFFAOYSA-N 0 0 448.950 5.063 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c(C(=O)Nc3cc(F)ccc3F)cc3c2CCCC3=O)cc1 ZINC000033126838 519834118 /nfs/dbraw/zinc/83/41/18/519834118.db2.gz IGECQMPQSBHCKP-UHFFFAOYSA-N 0 0 436.458 5.010 50 0 IKAARN CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000001068611 519835306 /nfs/dbraw/zinc/83/53/06/519835306.db2.gz CZTVEGLQVMABNY-UHFFFAOYSA-N 0 0 427.548 5.025 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035910420 519836653 /nfs/dbraw/zinc/83/66/53/519836653.db2.gz OHGSWESFDMZYST-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035910450 519836701 /nfs/dbraw/zinc/83/67/01/519836701.db2.gz ABWRWXJNPYEHEI-HHHXNRCGSA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035910419 519836759 /nfs/dbraw/zinc/83/67/59/519836759.db2.gz OHGSWESFDMZYST-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902827 519836787 /nfs/dbraw/zinc/83/67/87/519836787.db2.gz AQWTVNMTJIHVBB-NDEPHWFRSA-N 0 0 443.591 5.633 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000035910461 519836823 /nfs/dbraw/zinc/83/68/23/519836823.db2.gz OTFLJEGJWJALTE-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021857028 519836828 /nfs/dbraw/zinc/83/68/28/519836828.db2.gz KJDUYRDCANRJFU-HHHXNRCGSA-N 0 0 429.564 5.243 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 ZINC000015829675 519837156 /nfs/dbraw/zinc/83/71/56/519837156.db2.gz OFTKOYYVXFSQOE-UHFFFAOYSA-N 0 0 437.594 5.072 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034908522 519837422 /nfs/dbraw/zinc/83/74/22/519837422.db2.gz IHANNKYQWFFWQI-XMMPIXPASA-N 0 0 425.532 6.987 50 0 IKAARN CC(C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000020550343 519837827 /nfs/dbraw/zinc/83/78/27/519837827.db2.gz XOIWLXJBKANNSY-UHFFFAOYSA-N 0 0 425.579 5.420 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000021940102 519838413 /nfs/dbraw/zinc/83/84/13/519838413.db2.gz KCHRHRMNBPLSBD-GOSISDBHSA-N 0 0 445.972 5.082 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000021940105 519838419 /nfs/dbraw/zinc/83/84/19/519838419.db2.gz KCHRHRMNBPLSBD-SFHVURJKSA-N 0 0 445.972 5.082 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4Cl)no3)C2)cc1 ZINC000021940082 519838553 /nfs/dbraw/zinc/83/85/53/519838553.db2.gz NPDNDOCEEQTHBI-KRWDZBQOSA-N 0 0 445.972 5.082 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561645 519839677 /nfs/dbraw/zinc/83/96/77/519839677.db2.gz CZEAKZLYHQPZDX-KCWPFWIISA-N 0 0 426.516 5.824 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193071 519839694 /nfs/dbraw/zinc/83/96/94/519839694.db2.gz LYPPIHPRQAFBOM-NOZRDPDXSA-N 0 0 447.376 6.815 50 0 IKAARN CC(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021536370 519839699 /nfs/dbraw/zinc/83/96/99/519839699.db2.gz VSUPAUWOUJYNPO-GDLZYMKVSA-N 0 0 449.598 6.458 50 0 IKAARN CC(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021889606 519839701 /nfs/dbraw/zinc/83/97/01/519839701.db2.gz YGGLIVQRQFNDMQ-AREMUKBSSA-N 0 0 425.532 6.009 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193829 519839714 /nfs/dbraw/zinc/83/97/14/519839714.db2.gz QQSCPTWWKANGPZ-NOZRDPDXSA-N 0 0 437.370 7.359 50 0 IKAARN CC(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021536367 519840404 /nfs/dbraw/zinc/84/04/04/519840404.db2.gz VSUPAUWOUJYNPO-LJAQVGFWSA-N 0 0 449.598 6.458 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561644 519840438 /nfs/dbraw/zinc/84/04/38/519840438.db2.gz CZEAKZLYHQPZDX-WNCULLNHSA-N 0 0 426.516 5.824 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4cccs4)cc3)nc2c1 ZINC000012383075 519840803 /nfs/dbraw/zinc/84/08/03/519840803.db2.gz NXZSKJVLJJYGRN-UHFFFAOYSA-N 0 0 435.574 5.484 50 0 IKAARN CC(C)c1cccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCc2ccc(F)cc2)c1 ZINC000035987287 519843434 /nfs/dbraw/zinc/84/34/34/519843434.db2.gz LWDBUAUMRIEGLY-UHFFFAOYSA-N 0 0 441.506 6.128 50 0 IKAARN CC(C)c1ccccc1-n1c(SCc2nnsc2Cl)nnc1-c1cccnc1 ZINC000012536656 519844292 /nfs/dbraw/zinc/84/42/92/519844292.db2.gz GNFUTMGHIGABND-UHFFFAOYSA-N 0 0 428.974 5.250 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000035927535 519844506 /nfs/dbraw/zinc/84/45/06/519844506.db2.gz UQQRSTFIUVWRPC-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000035927477 519844630 /nfs/dbraw/zinc/84/46/30/519844630.db2.gz RBIKOFONXQXZFL-SANMLTNESA-N 0 0 436.621 6.498 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000035927465 519844723 /nfs/dbraw/zinc/84/47/23/519844723.db2.gz UPAMBGUIJLMHCT-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000035927508 519844740 /nfs/dbraw/zinc/84/47/40/519844740.db2.gz LWOWLZFAICHIPT-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000035927478 519844766 /nfs/dbraw/zinc/84/47/66/519844766.db2.gz RBIKOFONXQXZFL-AREMUKBSSA-N 0 0 436.621 6.498 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000035927486 519844772 /nfs/dbraw/zinc/84/47/72/519844772.db2.gz RYWBASNILNHSCN-AREMUKBSSA-N 0 0 446.572 5.606 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCC1CCCC1 ZINC000035927548 519844776 /nfs/dbraw/zinc/84/47/76/519844776.db2.gz JXNMGODTNDZRPG-AREMUKBSSA-N 0 0 436.621 6.498 50 0 IKAARN CCC1CCC(c2ccc(C3=N/C(=C\c4cc(OC)c(OC)cc4OC)C(=O)O3)cc2)CC1 ZINC000020616017 519857369 /nfs/dbraw/zinc/85/73/69/519857369.db2.gz ZEVLLTPRGQCWHK-HMAPJEAMSA-N 0 0 449.547 5.741 50 0 IKAARN CCC1CCC2(CC1)SC(NC(=O)Nc1ccccc1)=NN2C(=O)Nc1ccccc1 ZINC000012419126 519857650 /nfs/dbraw/zinc/85/76/50/519857650.db2.gz SQMFVRFNCONEHE-UHFFFAOYSA-N 0 0 437.569 5.657 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4sc(C)nc4C)n3)cc2Sc2ccccc2C1=O ZINC000035453816 519864924 /nfs/dbraw/zinc/86/49/24/519864924.db2.gz SIUFZYWHECOHTR-UHFFFAOYSA-N 0 0 448.573 5.998 50 0 IKAARN CC(C)c1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012649542 519869605 /nfs/dbraw/zinc/86/96/05/519869605.db2.gz FFVKZRJEXHQYIT-JOCHJYFZSA-N 0 0 446.938 5.784 50 0 IKAARN CCCC(=O)N1c2ccc(F)cc2-c2nnc(SC)nc2O[C@H]1c1ccccc1Cl ZINC000032997829 519870418 /nfs/dbraw/zinc/87/04/18/519870418.db2.gz FVMDBFIEFVWVSI-FQEVSTJZSA-N 0 0 444.919 5.277 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CCCCC3 ZINC000035892495 519872490 /nfs/dbraw/zinc/87/24/90/519872490.db2.gz QULQQEKTFBXXFW-UHFFFAOYSA-N 0 0 428.646 5.168 50 0 IKAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1ccccc1Cl)C1CC1 ZINC000035972169 519881539 /nfs/dbraw/zinc/88/15/39/519881539.db2.gz UMFVPNOSTVFHHK-UHFFFAOYSA-N 0 0 436.987 5.520 50 0 IKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3cccc4ccccc43)cc(C(F)F)c12 ZINC000020603631 519881552 /nfs/dbraw/zinc/88/15/52/519881552.db2.gz ZNRFDGJHASCLTR-UHFFFAOYSA-N 0 0 431.461 7.441 50 0 IKAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000035972187 519881745 /nfs/dbraw/zinc/88/17/45/519881745.db2.gz ILLZZYATKRQSQD-UHFFFAOYSA-N 0 0 436.987 5.520 50 0 IKAARN CCCNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 ZINC000035768488 519881967 /nfs/dbraw/zinc/88/19/67/519881967.db2.gz HEMCXQSEAXKUEO-XMMPIXPASA-N 0 0 448.969 6.530 50 0 IKAARN CCCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000035980298 519883282 /nfs/dbraw/zinc/88/32/82/519883282.db2.gz VFDJVMACTWHWIL-UHFFFAOYSA-N 0 0 436.531 5.450 50 0 IKAARN CCCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000035978234 519883337 /nfs/dbraw/zinc/88/33/37/519883337.db2.gz HSIIDZCPYIWILD-UHFFFAOYSA-N 0 0 436.531 5.450 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(OCC)c1)CCCC3 ZINC000021918726 519883958 /nfs/dbraw/zinc/88/39/58/519883958.db2.gz MHOUKCXEWZVDSP-DEOSSOPVSA-N 0 0 449.620 5.841 50 0 IKAARN CC(C)c1nn2c(nc(CSc3ccccc3NC(=O)C3CCCCC3)cc2=O)s1 ZINC000020982909 519883984 /nfs/dbraw/zinc/88/39/84/519883984.db2.gz LWGLGJSCLWMPGN-UHFFFAOYSA-N 0 0 442.610 5.086 50 0 IKAARN CCNC(=O)c1ccc(CSc2nc(C(C)C)cc(N(C)Cc3ccccc3)n2)cc1 ZINC000036049782 519891168 /nfs/dbraw/zinc/89/11/68/519891168.db2.gz MZXBVOHXALCGOP-UHFFFAOYSA-N 0 0 434.609 5.278 50 0 IKAARN CCCC1CCC(c2ccc(C(=O)Nc3ccccc3I)cc2)CC1 ZINC000027439440 519899460 /nfs/dbraw/zinc/89/94/60/519899460.db2.gz QKMXCXFYCZGLDV-UHFFFAOYSA-N 0 0 447.360 6.617 50 0 IKAARN CCCCC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000035887799 519907763 /nfs/dbraw/zinc/90/77/63/519907763.db2.gz IXRPFCLPKFGJSI-UHFFFAOYSA-N 0 0 442.607 5.190 50 0 IKAARN CCN(C(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CCCCC1 ZINC000012604140 519917515 /nfs/dbraw/zinc/91/75/15/519917515.db2.gz ZLXPRMQGAVZBAK-UHFFFAOYSA-N 0 0 446.012 5.970 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033068802 519920652 /nfs/dbraw/zinc/92/06/52/519920652.db2.gz BUZQMTGENGHPDL-UHFFFAOYSA-N 0 0 447.991 6.019 50 0 IKAARN CCCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000035744634 519926030 /nfs/dbraw/zinc/92/60/30/519926030.db2.gz UNVUOMFOSYGLNW-UHFFFAOYSA-N 0 0 448.394 5.475 50 0 IKAARN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499411 519940825 /nfs/dbraw/zinc/94/08/25/519940825.db2.gz GODCGUYMQPRACL-GDTUXBLQSA-N 0 0 442.640 5.928 50 0 biogenic IKAARN CCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(C)C ZINC000035773991 519950513 /nfs/dbraw/zinc/95/05/13/519950513.db2.gz ORHVHHYFZPENLA-UHFFFAOYSA-N 0 0 446.632 5.932 50 0 IKAARN CCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)CC(C)C ZINC000035769837 519950974 /nfs/dbraw/zinc/95/09/74/519950974.db2.gz SIYDCIAARUVMRS-UHFFFAOYSA-N 0 0 449.588 5.548 50 0 IKAARN CCCCCCC(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865898 519954058 /nfs/dbraw/zinc/95/40/58/519954058.db2.gz FRYCBXUVWAGPAA-GOSISDBHSA-N 0 0 442.673 5.559 50 0 IKAARN CCCCCCC(=O)Nc1cccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SCCCN32)c1 ZINC000016613732 519957469 /nfs/dbraw/zinc/95/74/69/519957469.db2.gz PPOQAMUQXZIARU-JOCHJYFZSA-N 0 0 443.613 5.282 50 0 IKAARN CCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC(C)C)c1 ZINC000035711032 519957825 /nfs/dbraw/zinc/95/78/25/519957825.db2.gz HKLSDTPXDXVQFY-HSZRJFAPSA-N 0 0 443.588 5.297 50 0 IKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000035927335 519957873 /nfs/dbraw/zinc/95/78/73/519957873.db2.gz OFOALGIJWCPRNU-HSZRJFAPSA-N 0 0 426.538 5.103 50 0 IKAARN CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C1CC1)c1cccc2ccccc21 ZINC000012873923 520017524 /nfs/dbraw/zinc/01/75/24/520017524.db2.gz VDHMUBQDCLIENZ-QGZVFWFLSA-N 0 0 443.576 5.362 50 0 IKAARN CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 ZINC000020904332 520035363 /nfs/dbraw/zinc/03/53/63/520035363.db2.gz INZXZCQLUUCVTR-RPWUZVMVSA-N 0 0 432.589 5.738 50 0 IKAARN CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 ZINC000020904330 520055710 /nfs/dbraw/zinc/05/57/10/520055710.db2.gz INZXZCQLUUCVTR-ZEQRLZLVSA-N 0 0 432.589 5.738 50 0 IKAARN CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)c1ccccc1 ZINC000012527489 520058797 /nfs/dbraw/zinc/05/87/97/520058797.db2.gz DTUBDOLXSGFKDS-UHFFFAOYSA-N 0 0 433.515 5.208 50 0 IKAARN CCCCCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000035891799 520085533 /nfs/dbraw/zinc/08/55/33/520085533.db2.gz AJNLFJCNYVWLGE-NRFANRHFSA-N 0 0 430.514 6.416 50 0 IKAARN CCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1cccc(C(F)(F)F)c1 ZINC000020286815 520092638 /nfs/dbraw/zinc/09/26/38/520092638.db2.gz TWTLCAUXWGVZQU-UHFFFAOYSA-N 0 0 432.873 6.453 50 0 IKAARN CCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c3ncccc23)cc1Cl ZINC000041157604 520101148 /nfs/dbraw/zinc/10/11/48/520101148.db2.gz IFPJREZFVHULNF-UHFFFAOYSA-N 0 0 431.363 7.061 50 0 IKAARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=N)NC2=O)cc1 ZINC000035239613 520102914 /nfs/dbraw/zinc/10/29/14/520102914.db2.gz ZPAJZSLBLJWOOH-CJLVFECKSA-N 0 0 446.576 5.637 50 0 IKAARN CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192232 520108228 /nfs/dbraw/zinc/10/82/28/520108228.db2.gz NDKACQGBXQYWOY-IXCJQBJRSA-N 0 0 426.560 6.888 50 0 IKAARN CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OC ZINC000016751138 520108239 /nfs/dbraw/zinc/10/82/39/520108239.db2.gz QTADKPMZMMXUDX-DEOSSOPVSA-N 0 0 449.547 5.716 50 0 IKAARN CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccc(C)c(C)c1 ZINC000020508836 520111407 /nfs/dbraw/zinc/11/14/07/520111407.db2.gz SQYLMSXGZBJFQP-UHFFFAOYSA-N 0 0 426.516 5.283 50 0 IKAARN CCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccccc2)cc1 ZINC000012419804 520137455 /nfs/dbraw/zinc/13/74/55/520137455.db2.gz YNXHTLFSGHLFKY-UHFFFAOYSA-N 0 0 443.543 6.101 50 0 IKAARN CCCCCN(C(=O)c1oc2ccccc2c1COC)c1nc(C)c(C(=O)OCC)s1 ZINC000022135106 520146399 /nfs/dbraw/zinc/14/63/99/520146399.db2.gz STNATPSESXWIEY-UHFFFAOYSA-N 0 0 444.553 5.358 50 0 IKAARN CCN(C)C(=O)Nc1c(N)n(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)cc1 ZINC000034785718 520187299 /nfs/dbraw/zinc/18/72/99/520187299.db2.gz ZFBMKJSQDDDYBF-UHFFFAOYSA-N 0 0 437.853 5.277 50 0 IKAARN CCCCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768783 520196678 /nfs/dbraw/zinc/19/66/78/520196678.db2.gz YBTUAACTUJNOAN-AREMUKBSSA-N 0 0 442.578 6.657 50 0 IKAARN CCCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(OCc2ccccc2)c1 ZINC000035768511 520197378 /nfs/dbraw/zinc/19/73/78/520197378.db2.gz CBYDEOMNBLBUHN-AREMUKBSSA-N 0 0 440.587 6.575 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085662 520220592 /nfs/dbraw/zinc/22/05/92/520220592.db2.gz PVDSGIPRTAIDRR-UHFFFAOYSA-N 0 0 444.535 5.229 50 0 IKAARN CC1(C)C=C(/C=C/c2ccccc2Cl)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=N1 ZINC000012402096 520252993 /nfs/dbraw/zinc/25/29/93/520252993.db2.gz SRVNOMMGNHIPKV-RDVIPMJXSA-N 0 0 441.383 5.012 50 0 IKAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1OC ZINC000012898940 520289567 /nfs/dbraw/zinc/28/95/67/520289567.db2.gz WCOAAFWJNYIBGV-UHFFFAOYSA-N 0 0 447.354 5.622 50 0 IKAARN CC1(C)CCC(C)(C)c2cc(-c3csc(-c4ccc(-c5csnn5)cc4)n3)ccc21 ZINC000012369485 520295374 /nfs/dbraw/zinc/29/53/74/520295374.db2.gz NMQHANFTHZFZNE-UHFFFAOYSA-N 0 0 431.630 7.345 50 0 IKAARN CCCOc1ccc(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1 ZINC000012525161 520333547 /nfs/dbraw/zinc/33/35/47/520333547.db2.gz XJNIVJFUUSBGPY-MHZLTWQESA-N 0 0 441.531 5.220 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000002983522 520336505 /nfs/dbraw/zinc/33/65/05/520336505.db2.gz JZPFYXJVAUYPQG-UHFFFAOYSA-N 0 0 431.517 5.410 50 0 IKAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000035171065 520339656 /nfs/dbraw/zinc/33/96/56/520339656.db2.gz LJJRRSZMQCNBET-LJQANCHMSA-N 0 0 437.927 5.240 50 0 IKAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000035171068 520340131 /nfs/dbraw/zinc/34/01/31/520340131.db2.gz LJJRRSZMQCNBET-IBGZPJMESA-N 0 0 437.927 5.240 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000012484617 520352538 /nfs/dbraw/zinc/35/25/38/520352538.db2.gz OUHLTQSIGPCGMI-UHFFFAOYSA-N 0 0 448.375 5.526 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000012484059 520353440 /nfs/dbraw/zinc/35/34/40/520353440.db2.gz PBVGQNCWPGIRAX-UHFFFAOYSA-N 0 0 435.282 5.493 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000012756033 520354605 /nfs/dbraw/zinc/35/46/05/520354605.db2.gz JGDOQKUSXPLRRQ-UHFFFAOYSA-N 0 0 427.957 5.181 50 0 IKAARN CCCCN(C)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1Cl ZINC000020438892 520365038 /nfs/dbraw/zinc/36/50/38/520365038.db2.gz SRCCETYZFAPARC-JWGURIENSA-N 0 0 437.971 5.344 50 0 IKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)sc1Cl ZINC000018094996 520368670 /nfs/dbraw/zinc/36/86/70/520368670.db2.gz YTBCPYUCHJCPGA-UHFFFAOYSA-N 0 0 425.259 5.175 50 0 IKAARN CCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000012194077 520424278 /nfs/dbraw/zinc/42/42/78/520424278.db2.gz KMFYGZYUQZOHCZ-VPUSJEBWSA-N 0 0 428.532 6.116 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000012713619 520461891 /nfs/dbraw/zinc/46/18/91/520461891.db2.gz VELLFCNNZJWICA-UHFFFAOYSA-N 0 0 425.912 5.114 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000012197808 520462924 /nfs/dbraw/zinc/46/29/24/520462924.db2.gz OSPWBUIYVYDPHZ-UHFFFAOYSA-N 0 0 428.960 5.377 50 0 IKAARN CCCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012437247 520488791 /nfs/dbraw/zinc/48/87/91/520488791.db2.gz BTTFXCVYZPNVNL-LITSAYRRSA-N 0 0 434.539 6.871 50 0 IKAARN CC1(C)CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)c(F)c2)S1 ZINC000012402434 520496840 /nfs/dbraw/zinc/49/68/40/520496840.db2.gz GCSZZXQHJXJOBF-UHFFFAOYSA-N 0 0 429.414 5.904 50 0 IKAARN CCN(CC)C(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768771 520497353 /nfs/dbraw/zinc/49/73/53/520497353.db2.gz JJZGEHUBCHPWJO-RUZDIDTESA-N 0 0 428.551 6.219 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cc(C)ccc3C)nn2[C@H]1c1ccc(C)cc1 ZINC000020850641 520506538 /nfs/dbraw/zinc/50/65/38/520506538.db2.gz HEXFROGRMIAAHH-QFIPXVFZSA-N 0 0 448.592 5.348 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2)c1-c1ccc(OC)cc1 ZINC000023458777 520516578 /nfs/dbraw/zinc/51/65/78/520516578.db2.gz LDOQGMAIVVFWNX-UHFFFAOYSA-N 0 0 428.532 6.206 50 0 IKAARN CCCS(=O)(=O)N1CCC(c2c(C)n(Cc3ccc(F)cc3)c3ccccc32)CC1 ZINC000015862949 520518380 /nfs/dbraw/zinc/51/83/80/520518380.db2.gz LOOKTICBYVBYJP-UHFFFAOYSA-N 0 0 428.573 5.056 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3ccccc3)CC2)N=C1c1ccc(OC)cc1 ZINC000020578149 520546647 /nfs/dbraw/zinc/54/66/47/520546647.db2.gz JTEVUIRIZRDQJZ-UHFFFAOYSA-N 0 0 436.581 5.064 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000034927677 520567629 /nfs/dbraw/zinc/56/76/29/520567629.db2.gz CYGABHLQHCHTQN-RPWUZVMVSA-N 0 0 447.966 5.132 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C(C)(C)C)C3 ZINC000008432054 520567856 /nfs/dbraw/zinc/56/78/56/520567856.db2.gz ACCXCBLWUJXEIW-HNNXBMFYSA-N 0 0 442.650 6.109 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000016751984 520568306 /nfs/dbraw/zinc/56/83/06/520568306.db2.gz JENYCZLYNCBOLH-RUZDIDTESA-N 0 0 439.511 5.717 50 0 IKAARN CCOc1c(Br)cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000012933535 520590693 /nfs/dbraw/zinc/59/06/93/520590693.db2.gz GWTLYZZEGUWSOK-CYBMUJFWSA-N 0 0 436.371 5.388 50 0 IKAARN CCOc1c(Br)cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC ZINC000012933542 520591476 /nfs/dbraw/zinc/59/14/76/520591476.db2.gz GWTLYZZEGUWSOK-ZDUSSCGKSA-N 0 0 436.371 5.388 50 0 IKAARN CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000015856241 520592114 /nfs/dbraw/zinc/59/21/14/520592114.db2.gz YYZLVPRWFFVVQZ-BOPFTXTBSA-N 0 0 448.338 5.093 50 0 IKAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC ZINC000012601762 520593640 /nfs/dbraw/zinc/59/36/40/520593640.db2.gz PYQINLQORPDQES-GNISGLHKSA-N 0 0 425.916 5.001 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O ZINC000021524543 520599437 /nfs/dbraw/zinc/59/94/37/520599437.db2.gz IOZPZFXMWDKLDS-GOSISDBHSA-N 0 0 425.960 5.275 50 0 IKAARN CCCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)C1=O ZINC000012420106 520600491 /nfs/dbraw/zinc/60/04/91/520600491.db2.gz UBKTWKXGFRZWRB-VWLOTQADSA-N 0 0 431.923 5.412 50 0 IKAARN CCC[C@@H](C)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022639895 520605967 /nfs/dbraw/zinc/60/59/67/520605967.db2.gz GGXDNPKWZSDNLP-XMSQKQJNSA-N 0 0 429.402 5.119 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cccc(SC)c3)cc21 ZINC000033278526 520611470 /nfs/dbraw/zinc/61/14/70/520611470.db2.gz MSLAFKGDUNEJBW-UHFFFAOYSA-N 0 0 443.572 6.975 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(F)cc3C)cc21 ZINC000032986619 520611623 /nfs/dbraw/zinc/61/16/23/520611623.db2.gz HQTIISZCBMVXOM-UHFFFAOYSA-N 0 0 434.898 6.654 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000012658094 520611940 /nfs/dbraw/zinc/61/19/40/520611940.db2.gz HTNPEPVKCNCLSH-ZZIIXHQDSA-N 0 0 429.516 6.365 50 0 biogenic IKAARN CCOc1cc(-c2ccc(OC(=O)c3ccccc3C)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021785513 520612005 /nfs/dbraw/zinc/61/20/05/520612005.db2.gz JROURHKYVMZFAB-UHFFFAOYSA-N 0 0 428.484 6.003 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc21 ZINC000033278681 520612101 /nfs/dbraw/zinc/61/21/01/520612101.db2.gz FYUAYSUUVBVHKQ-UHFFFAOYSA-N 0 0 445.950 7.215 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc21 ZINC000032986555 520613500 /nfs/dbraw/zinc/61/35/00/520613500.db2.gz KOYUARXKHHNOOB-UHFFFAOYSA-N 0 0 446.934 5.893 50 0 IKAARN CCOc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)Cc1ccccc1)C2 ZINC000012455959 520613883 /nfs/dbraw/zinc/61/38/83/520613883.db2.gz JCBDJQAYSUWMGE-UHFFFAOYSA-N 0 0 443.568 5.931 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(OC)cc3)cc21 ZINC000032986510 520614017 /nfs/dbraw/zinc/61/40/17/520614017.db2.gz CGPJNYFFGOUICI-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000012602322 520615808 /nfs/dbraw/zinc/61/58/08/520615808.db2.gz BUUQPBMMBRTQII-VYENPZKTSA-N 0 0 425.916 5.001 50 0 IKAARN CCOc1cc(/C=C/C(=O)OCc2nc3ccccc3n2C(F)F)cc(Cl)c1OC ZINC000012530064 520618131 /nfs/dbraw/zinc/61/81/31/520618131.db2.gz JYSKQDLFZWKHDX-CMDGGOBGSA-N 0 0 436.842 5.249 50 0 IKAARN CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000012527274 520620895 /nfs/dbraw/zinc/62/08/95/520620895.db2.gz FKPOTKUJLFKDLU-JLHYYAGUSA-N 0 0 448.563 5.534 50 0 IKAARN CCOC(=O)CCCCCC(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023324621 520625745 /nfs/dbraw/zinc/62/57/45/520625745.db2.gz JUUZSNXQWZPRQC-UHFFFAOYSA-N 0 0 432.520 5.559 50 0 IKAARN CCCCNC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035815723 520629265 /nfs/dbraw/zinc/62/92/65/520629265.db2.gz KLBKCOIARURWAJ-SANMLTNESA-N 0 0 442.578 6.575 50 0 IKAARN CCOc1cc(/C=C\c2nc3c(ccc4ccccc34)s2)ccc1OCC(=O)N(C)C ZINC000033528052 520638141 /nfs/dbraw/zinc/63/81/41/520638141.db2.gz XOTMFMLLTNKTCE-UVTDQMKNSA-N 0 0 432.545 5.486 50 0 IKAARN CCCCNc1c(Cl)c(Cl)nc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl ZINC000018179042 520696220 /nfs/dbraw/zinc/69/62/20/520696220.db2.gz SEARITQUTYEEES-UHFFFAOYSA-N 0 0 441.573 6.813 50 0 IKAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000012585751 520762791 /nfs/dbraw/zinc/76/27/91/520762791.db2.gz LSNPWDXSCGRYGE-QHCPKHFHSA-N 0 0 431.609 5.746 50 0 IKAARN CCOc1cc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc(C)n1 ZINC000012225871 520765559 /nfs/dbraw/zinc/76/55/59/520765559.db2.gz ZDHYTHGSFJGNEO-UHFFFAOYSA-N 0 0 431.418 5.590 50 0 IKAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OC ZINC000021788432 520778803 /nfs/dbraw/zinc/77/88/03/520778803.db2.gz CTSCYIDGUCOSBJ-NRFANRHFSA-N 0 0 443.956 5.016 50 0 IKAARN CCN(CC)S(=O)(=O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc32)ccc1C ZINC000012550307 520786270 /nfs/dbraw/zinc/78/62/70/520786270.db2.gz LEBNFYOTTMVMSB-UHFFFAOYSA-N 0 0 446.576 5.379 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 ZINC000021908654 520787051 /nfs/dbraw/zinc/78/70/51/520787051.db2.gz NOCBGTOOBGOJID-UHFFFAOYSA-N 0 0 443.619 5.041 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)N(c1ccc(CC)cc1)C(=O)C2 ZINC000020446286 520797444 /nfs/dbraw/zinc/79/74/44/520797444.db2.gz WSZAXSAJOBRJHG-GDLZYMKVSA-N 0 0 443.587 6.288 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000020446278 520797529 /nfs/dbraw/zinc/79/75/29/520797529.db2.gz WEPNBYHYAZSQRY-MUUNZHRXSA-N 0 0 445.559 5.734 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)c1)N(c1ccc(C)c(F)c1)C(=O)C2 ZINC000020867971 520797713 /nfs/dbraw/zinc/79/77/13/520797713.db2.gz OYSHGBGAKPLBCJ-HHHXNRCGSA-N 0 0 433.523 5.919 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(Cl)c1)N(c1ccc(C)cc1)C(=O)C2 ZINC000020867940 520797832 /nfs/dbraw/zinc/79/78/32/520797832.db2.gz YLLSCYSKITYYCV-AREMUKBSSA-N 0 0 435.951 6.125 50 0 IKAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)Nc2cccc(F)c2)c3C)cc1OCC ZINC000021913829 520802908 /nfs/dbraw/zinc/80/29/08/520802908.db2.gz YJIRHLGFLJTKMI-UHFFFAOYSA-N 0 0 448.498 5.202 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C(C)C)cc3)no2)cc1 ZINC000021524325 520804529 /nfs/dbraw/zinc/80/45/29/520804529.db2.gz CBVGUAQIUGQTQW-UHFFFAOYSA-N 0 0 444.531 6.299 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(CC)cc3)no2)cc1 ZINC000021524322 520805715 /nfs/dbraw/zinc/80/57/15/520805715.db2.gz KXIPBUFGGPCCIP-UHFFFAOYSA-N 0 0 430.504 5.738 50 0 IKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)c(C)c3)c2)cc1 ZINC000012860781 520807203 /nfs/dbraw/zinc/80/72/03/520807203.db2.gz GQWFMFBGQJHWNG-XLVZBRSZSA-N 0 0 427.544 6.973 50 0 biogenic IKAARN CCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1C)C(=O)OCC ZINC000035924548 520810553 /nfs/dbraw/zinc/81/05/53/520810553.db2.gz SMTAWVROBCUWNY-LJQANCHMSA-N 0 0 430.957 5.171 50 0 IKAARN CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)cc1 ZINC000012140465 520810751 /nfs/dbraw/zinc/81/07/51/520810751.db2.gz KNSGCAVVYMXNBY-UHFFFAOYSA-N 0 0 433.455 5.292 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 ZINC000012619120 520810957 /nfs/dbraw/zinc/81/09/57/520810957.db2.gz IUERIXRLCKQYKZ-INIZCTEOSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3cccc(C)c3)n2)cc1 ZINC000012442189 520811074 /nfs/dbraw/zinc/81/10/74/520811074.db2.gz XZNKSWPMHNNRFK-UHFFFAOYSA-N 0 0 432.549 5.193 50 0 IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc(F)cc3)n2)cc1 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CCCCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1 ZINC000020662552 520853741 /nfs/dbraw/zinc/85/37/41/520853741.db2.gz PEODAGVTVABWKU-XNTDXEJSSA-N 0 0 448.925 6.528 50 0 IKAARN CCCCOc1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 ZINC000016043921 520854746 /nfs/dbraw/zinc/85/47/46/520854746.db2.gz OTEQXOOVMXQBMF-CAPFRKAQSA-N 0 0 428.557 6.248 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(-n3nc(C)c4ccccc4c3=O)cc2)cc1 ZINC000012410721 520870805 /nfs/dbraw/zinc/87/08/05/520870805.db2.gz RKTNNTFVNZVCEK-UHFFFAOYSA-N 0 0 427.504 5.125 50 0 IKAARN CCCCOc1ccc(C2=NC(=CNc3ccc(C)cc3Br)C(=O)O2)cc1 ZINC000002946992 520873011 /nfs/dbraw/zinc/87/30/11/520873011.db2.gz PGKSNJATULKSJY-UYRXBGFRSA-N 0 0 429.314 5.193 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)n2C)cc1 ZINC000022434772 520877671 /nfs/dbraw/zinc/87/76/71/520877671.db2.gz KFOFQDXVKAHLMS-MRXNPFEDSA-N 0 0 433.581 5.173 50 0 IKAARN CCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(OCCCC)cc2)cc1 ZINC000012285240 520885614 /nfs/dbraw/zinc/88/56/14/520885614.db2.gz CJNCTSHJMDIPGF-UHFFFAOYSA-N 0 0 444.597 5.355 50 0 IKAARN CCOc1ccc(C(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000012464303 520889446 /nfs/dbraw/zinc/88/94/46/520889446.db2.gz WKCHIZJPBKKERV-UHFFFAOYSA-N 0 0 428.406 5.811 50 0 IKAARN CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012564477 520898402 /nfs/dbraw/zinc/89/84/02/520898402.db2.gz LNEPPPXYIHASAJ-HXUWFJFHSA-N 0 0 447.457 5.151 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000012194092 520898482 /nfs/dbraw/zinc/89/84/82/520898482.db2.gz XSZDHVSPNKKBEJ-IXCJQBJRSA-N 0 0 442.559 6.507 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012192304 520899216 /nfs/dbraw/zinc/89/92/16/520899216.db2.gz PGRMMXIICDRNCJ-XNMGPUDCSA-N 0 0 428.532 6.116 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711557 520906165 /nfs/dbraw/zinc/90/61/65/520906165.db2.gz UMNFLHXSMGLQFB-UHFFFAOYSA-N 0 0 442.475 5.153 50 0 IKAARN CCOC(=O)Cn1c(-c2ccc(CC)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000012413449 520915388 /nfs/dbraw/zinc/91/53/88/520915388.db2.gz COFGOKLRQUTCIO-QLYXXIJNSA-N 0 0 434.483 5.593 50 0 IKAARN CCN(CC)c1ccc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000020531079 520917432 /nfs/dbraw/zinc/91/74/32/520917432.db2.gz NROSDXZYMOJQPR-VWLOTQADSA-N 0 0 427.548 5.177 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1Br ZINC000022077390 520919764 /nfs/dbraw/zinc/91/97/64/520919764.db2.gz QXHKFDSCQKQHBY-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc3ccccc3c1)cc2C(F)(F)F ZINC000020615564 520920497 /nfs/dbraw/zinc/92/04/97/520920497.db2.gz FSRPIWQQVRYLQU-UHFFFAOYSA-N 0 0 439.437 5.711 50 0 IKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(Cl)s1)cc2C(F)(F)F ZINC000020604534 520921222 /nfs/dbraw/zinc/92/12/22/520921222.db2.gz PWEPAUJOHPNXSZ-UHFFFAOYSA-N 0 0 429.851 5.273 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccn32)cc1 ZINC000012342167 520923206 /nfs/dbraw/zinc/92/32/06/520923206.db2.gz RRQUDKOLTRJWKJ-UHFFFAOYSA-N 0 0 447.922 5.365 50 0 IKAARN CCOc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1 ZINC000015978327 520929307 /nfs/dbraw/zinc/92/93/07/520929307.db2.gz GNNOQMVAQSNFAB-UYRXBGFRSA-N 0 0 438.277 5.452 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000248379962 520930290 /nfs/dbraw/zinc/93/02/90/520930290.db2.gz OMRRETJWKNWXNK-UPVQGACJSA-N 0 0 440.877 6.259 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000012195826 520930415 /nfs/dbraw/zinc/93/04/15/520930415.db2.gz MYZOPMPZJVTFQF-LADGPHEKSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1OC ZINC000012587715 520931976 /nfs/dbraw/zinc/93/19/76/520931976.db2.gz ZFCHRQPWWWYLHN-UHFFFAOYSA-N 0 0 444.581 6.902 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000012196618 520932197 /nfs/dbraw/zinc/93/21/97/520932197.db2.gz GEVDRPVWKFXUFD-SHQCIBLASA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020738385 520932244 /nfs/dbraw/zinc/93/22/44/520932244.db2.gz LYYOOADMOFBLJH-SHQCIBLASA-N 0 0 444.531 5.735 50 0 IKAARN CC1CCC(NC(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000021162280 520945862 /nfs/dbraw/zinc/94/58/62/520945862.db2.gz OAJJDUFYWRGDOG-UHFFFAOYSA-N 0 0 448.586 5.135 50 0 IKAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2c2ccc(Cl)cc2)CC1 ZINC000021810885 520951328 /nfs/dbraw/zinc/95/13/28/520951328.db2.gz KDFZTVRZPYCSPL-NQVMDJNJSA-N 0 0 439.943 5.002 50 0 IKAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2C2CCCCCC2)CC1 ZINC000021808682 520951806 /nfs/dbraw/zinc/95/18/06/520951806.db2.gz VVPYNSCHAXMQEL-ZQYQLRQTSA-N 0 0 441.641 5.335 50 0 IKAARN CCOc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020283594 520952239 /nfs/dbraw/zinc/95/22/39/520952239.db2.gz BTCKGLSIAFUALU-UHFFFAOYSA-N 0 0 448.954 5.062 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997463 520979892 /nfs/dbraw/zinc/97/98/92/520979892.db2.gz PWRWELBTYAUQPQ-QFIPXVFZSA-N 0 0 438.528 5.322 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccc(Br)cc1-2 ZINC000015015760 520980101 /nfs/dbraw/zinc/98/01/01/520980101.db2.gz IQISEAFTXUDHOR-KRWDZBQOSA-N 0 0 447.358 5.598 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)c(C)c1)N(C(C)=O)c1ccccc1-2 ZINC000032997156 520980627 /nfs/dbraw/zinc/98/06/27/520980627.db2.gz OIFOEMPCVGXWKJ-HSZRJFAPSA-N 0 0 434.565 5.492 50 0 IKAARN CC1CCN(C(=O)Cn2cc(SCc3cccc4ccccc43)c3ccccc32)CC1 ZINC000021728348 520981059 /nfs/dbraw/zinc/98/10/59/520981059.db2.gz URZUQZHDABKQFS-UHFFFAOYSA-N 0 0 428.601 6.345 50 0 IKAARN CCC[C@H](C(=O)NCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037385652 520982807 /nfs/dbraw/zinc/98/28/07/520982807.db2.gz MWWWDTSLUKQVLN-HSZRJFAPSA-N 0 0 432.955 5.333 50 0 IKAARN CC1CCN(C(=O)c2cccc(CSc3ccc(-c4ccc(Cl)cc4)nn3)c2)CC1 ZINC000033941517 520990060 /nfs/dbraw/zinc/99/00/60/520990060.db2.gz FDGZQCYSHQLYDO-UHFFFAOYSA-N 0 0 437.996 5.961 50 0 IKAARN CCC[C@H](C)C(=O)N1CCN(C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022636664 520994614 /nfs/dbraw/zinc/99/46/14/520994614.db2.gz SXASOMFRQLLCIY-OFVILXPXSA-N 0 0 443.031 5.487 50 0 IKAARN CCC[C@H](C)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022639891 520994654 /nfs/dbraw/zinc/99/46/54/520994654.db2.gz GGXDNPKWZSDNLP-AVRDEDQJSA-N 0 0 429.402 5.119 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc32)cc1 ZINC000021662907 520995926 /nfs/dbraw/zinc/99/59/26/520995926.db2.gz FJBYSFGPRHMOPI-UHFFFAOYSA-N 0 0 439.515 5.189 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(OCc3ccc(C)cc3)nc3ccccc32)cc1 ZINC000021094465 520996039 /nfs/dbraw/zinc/99/60/39/520996039.db2.gz ZTPVNYJOPWJOEJ-UHFFFAOYSA-N 0 0 426.516 5.451 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccc(C)cc4)cccc23)cc1OC ZINC000033036980 520996414 /nfs/dbraw/zinc/99/64/14/520996414.db2.gz NALBUBHRNUBAGP-UHFFFAOYSA-N 0 0 440.543 5.856 50 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521033607 /nfs/dbraw/zinc/03/36/07/521033607.db2.gz KOKKDGGLAHXYOR-AREMUKBSSA-N 0 0 446.572 5.679 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000035912061 521034954 /nfs/dbraw/zinc/03/49/54/521034954.db2.gz SEWDTJBZGTWIIL-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000035912125 521035288 /nfs/dbraw/zinc/03/52/88/521035288.db2.gz NRNQBPHINQPFIN-RUZDIDTESA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(C)cc2)cc1 ZINC000035912111 521035582 /nfs/dbraw/zinc/03/55/82/521035582.db2.gz WZXNJXSACZHVEN-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035912138 521035979 /nfs/dbraw/zinc/03/59/79/521035979.db2.gz NFMFUJJXAZBKSG-SANMLTNESA-N 0 0 446.572 5.435 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000035912064 521036506 /nfs/dbraw/zinc/03/65/06/521036506.db2.gz ACYHNYZGMJGCIG-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3ccccc3)c2)cc1 ZINC000035912130 521037813 /nfs/dbraw/zinc/03/78/13/521037813.db2.gz CVMTZVMECSSNJK-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN CC1CCN(c2ccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)cc2)CC1 ZINC000032975269 521038914 /nfs/dbraw/zinc/03/89/14/521038914.db2.gz XRDJRRNUMXHCSB-UHFFFAOYSA-N 0 0 428.492 5.485 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000012311931 521041231 /nfs/dbraw/zinc/04/12/31/521041231.db2.gz KVLMKHIEUWSTKG-JLPGSUDCSA-N 0 0 426.516 5.651 50 0 IKAARN CCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000035980122 521088891 /nfs/dbraw/zinc/08/88/91/521088891.db2.gz NDINCPOXRKYPDR-UHFFFAOYSA-N 0 0 427.932 5.011 50 0 IKAARN CCC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C1CC1 ZINC000035975540 521088948 /nfs/dbraw/zinc/08/89/48/521088948.db2.gz IBWCGLGPMUWNEK-UHFFFAOYSA-N 0 0 427.907 5.667 50 0 IKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000035977082 521089267 /nfs/dbraw/zinc/08/92/67/521089267.db2.gz QFUZVGCOSCYDNF-QHCPKHFHSA-N 0 0 433.552 5.199 50 0 IKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000035980771 521089504 /nfs/dbraw/zinc/08/95/04/521089504.db2.gz BASALYIKPJEHCN-JOCHJYFZSA-N 0 0 433.552 5.105 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cc1 ZINC000021879736 521089893 /nfs/dbraw/zinc/08/98/93/521089893.db2.gz WGBGGWGPIAPVKL-VWLOTQADSA-N 0 0 429.495 5.885 50 0 IKAARN CCC(=O)N(Cc1ccco1)Cc1cc2ccc(SC)cc2nc1-c1cccc(OC)c1 ZINC000012511018 521092119 /nfs/dbraw/zinc/09/21/19/521092119.db2.gz WJCJNEOPHPDFDI-UHFFFAOYSA-N 0 0 446.572 6.164 50 0 IKAARN CCOc1ccc(NC(=O)NC[C@@H](c2cn(CC)c3ccccc23)c2cccnc2)cc1 ZINC000033267810 521094273 /nfs/dbraw/zinc/09/42/73/521094273.db2.gz MFWQWEUZLUBWJE-HSZRJFAPSA-N 0 0 428.536 5.409 50 0 IKAARN CCOc1ccc(NC(=O)NC[C@H](c2cn(CC)c3ccccc23)c2cccnc2)cc1 ZINC000033267809 521094304 /nfs/dbraw/zinc/09/43/04/521094304.db2.gz MFWQWEUZLUBWJE-QHCPKHFHSA-N 0 0 428.536 5.409 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000021795488 521098084 /nfs/dbraw/zinc/09/80/84/521098084.db2.gz LVHQPTDESUMMEW-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC ZINC000012588480 521136268 /nfs/dbraw/zinc/13/62/68/521136268.db2.gz NYXYORDOYYMGDT-GFCCVEGCSA-N 0 0 430.854 5.595 50 0 IKAARN CCOc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308035 521140183 /nfs/dbraw/zinc/14/01/83/521140183.db2.gz SSNFXSKPLGRFDB-UHFFFAOYSA-N 0 0 436.519 5.570 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2CCC)c1 ZINC000035927432 521161896 /nfs/dbraw/zinc/16/18/96/521161896.db2.gz SQUWHPRTEACBML-AFMDSPMNSA-N 0 0 438.637 6.573 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)c1 ZINC000035928275 521161985 /nfs/dbraw/zinc/16/19/85/521161985.db2.gz PNFAOMCQEWGNPS-NPMXOYFQSA-N 0 0 432.536 5.898 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000035924922 521162340 /nfs/dbraw/zinc/16/23/40/521162340.db2.gz MTJLIPFGPLOVJS-BVZFJXPGSA-N 0 0 440.609 6.019 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000035924920 521162662 /nfs/dbraw/zinc/16/26/62/521162662.db2.gz MTJLIPFGPLOVJS-AVRWGWEMSA-N 0 0 440.609 6.019 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2OCC)c1 ZINC000035925014 521163181 /nfs/dbraw/zinc/16/31/81/521163181.db2.gz IXBJTGVDDDXCCL-AVRWGWEMSA-N 0 0 440.609 6.019 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927492 521163245 /nfs/dbraw/zinc/16/32/45/521163245.db2.gz ZFCMMLHFWVPJAI-AFMDSPMNSA-N 0 0 438.637 6.744 50 0 IKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000013126268 521166011 /nfs/dbraw/zinc/16/60/11/521166011.db2.gz QWJXAQSWBVJBKO-HSZRJFAPSA-N 0 0 440.503 5.229 50 0 IKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000013126270 521166498 /nfs/dbraw/zinc/16/64/98/521166498.db2.gz QWJXAQSWBVJBKO-QHCPKHFHSA-N 0 0 440.503 5.229 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000020943272 521168605 /nfs/dbraw/zinc/16/86/05/521168605.db2.gz MADDEHCBYNONGC-UHFFFAOYSA-N 0 0 430.508 5.087 50 0 IKAARN CCOc1ccc(OCC)c(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000021538407 521171835 /nfs/dbraw/zinc/17/18/35/521171835.db2.gz ZWKUKUQBTFSGIK-QHCPKHFHSA-N 0 0 433.483 5.875 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000021598033 521182526 /nfs/dbraw/zinc/18/25/26/521182526.db2.gz YTLMRILBZSKLMW-UHFFFAOYSA-N 0 0 430.504 5.252 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000012806457 521182614 /nfs/dbraw/zinc/18/26/14/521182614.db2.gz NUPVNUVMJNTNCU-VWLOTQADSA-N 0 0 442.515 5.780 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@@H](CC)c2ccccc2)C2CCCCC2)c1 ZINC000035945114 521206183 /nfs/dbraw/zinc/20/61/83/521206183.db2.gz KOENXQYVUAIFFU-VWLOTQADSA-N 0 0 449.639 5.956 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(F)cc2)[C@@H](C)c2ccccc2)c1 ZINC000035943959 521206452 /nfs/dbraw/zinc/20/64/52/521206452.db2.gz NDXZQMIUSBWCLR-IBGZPJMESA-N 0 0 447.554 5.644 50 0 IKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000017097704 521207025 /nfs/dbraw/zinc/20/70/25/521207025.db2.gz BXCULPISDUBHHJ-UHFFFAOYSA-N 0 0 431.717 5.857 50 0 IKAARN CCC[C@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)c(C)nn32)C1 ZINC000035325705 521212784 /nfs/dbraw/zinc/21/27/84/521212784.db2.gz LFUFMOQMCCVZIM-KRWDZBQOSA-N 0 0 433.958 7.069 50 0 IKAARN CCC(=O)Nc1cccc(-n2nc(OCC(C)C)nc2-c2ccc(Cl)c(Cl)c2)c1 ZINC000037396460 521220738 /nfs/dbraw/zinc/22/07/38/521220738.db2.gz NUZWANJSXMYEBI-UHFFFAOYSA-N 0 0 433.339 5.624 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1OC ZINC000020899481 521228095 /nfs/dbraw/zinc/22/80/95/521228095.db2.gz QNHJUKRXAAZLSN-OAQYLSRUSA-N 0 0 448.950 5.791 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc32)cc1OC ZINC000020899469 521228325 /nfs/dbraw/zinc/22/83/25/521228325.db2.gz XSHSTPVXZKDABF-HXUWFJFHSA-N 0 0 448.950 5.791 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000020899473 521228497 /nfs/dbraw/zinc/22/84/97/521228497.db2.gz MUYNGFHFYNJBLD-OAQYLSRUSA-N 0 0 448.950 5.791 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc32)cc1OC ZINC000021789274 521228540 /nfs/dbraw/zinc/22/85/40/521228540.db2.gz SKOWYWXIGFWKMZ-OAQYLSRUSA-N 0 0 444.531 5.146 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000021789257 521229073 /nfs/dbraw/zinc/22/90/73/521229073.db2.gz MBGPPPJDLCGURR-JOCHJYFZSA-N 0 0 428.532 5.446 50 0 IKAARN CCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2s1 ZINC000015870025 521230140 /nfs/dbraw/zinc/23/01/40/521230140.db2.gz ZKTJMQULKIVGKO-UHFFFAOYSA-N 0 0 443.594 5.493 50 0 IKAARN CCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(N(CC)CC)cc3C)cc2s1 ZINC000032959471 521230848 /nfs/dbraw/zinc/23/08/48/521230848.db2.gz OMZXDNWEAQPOKY-UHFFFAOYSA-N 0 0 438.597 5.371 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021889204 521250386 /nfs/dbraw/zinc/25/03/86/521250386.db2.gz IFNDIOOBAXHESK-AREMUKBSSA-N 0 0 441.506 6.152 50 0 IKAARN CCOc1ccc([C@@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447040 521250835 /nfs/dbraw/zinc/25/08/35/521250835.db2.gz CMGZZHHJWZJKQF-UIOOFZCWSA-N 0 0 446.031 5.479 50 0 IKAARN CCCC[C@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447034 521255750 /nfs/dbraw/zinc/25/57/50/521255750.db2.gz XMOALVBFZYUAEM-RPBOFIJWSA-N 0 0 432.004 5.233 50 0 IKAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 ZINC000012661965 521260592 /nfs/dbraw/zinc/26/05/92/521260592.db2.gz RHGDFIVJEWKIOI-UHFFFAOYSA-N 0 0 445.556 5.435 50 0 biogenic IKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)cs2)c1C ZINC000033004523 521260649 /nfs/dbraw/zinc/26/06/49/521260649.db2.gz LDEQVSUICUWFFV-UHFFFAOYSA-N 0 0 436.503 5.488 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2ccccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000021789270 521262174 /nfs/dbraw/zinc/26/21/74/521262174.db2.gz RKOJCXHLHAYDEM-QFIPXVFZSA-N 0 0 428.532 5.446 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc32)cc1OC ZINC000021789279 521264058 /nfs/dbraw/zinc/26/40/58/521264058.db2.gz SKOWYWXIGFWKMZ-NRFANRHFSA-N 0 0 444.531 5.146 50 0 IKAARN CCCCc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1 ZINC000012743052 521265430 /nfs/dbraw/zinc/26/54/30/521265430.db2.gz IKDFJDAIFYMLNU-UHFFFAOYSA-N 0 0 438.578 5.836 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3)cc2)cc1 ZINC000035908752 521269901 /nfs/dbraw/zinc/26/99/01/521269901.db2.gz XPKKXLQFLFRMAM-SANMLTNESA-N 0 0 430.573 6.060 50 0 IKAARN CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195730 521273116 /nfs/dbraw/zinc/27/31/16/521273116.db2.gz UJYHWDBTVWNJPQ-RPLLCQBOSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc([C@](O)(CCC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447049 521277321 /nfs/dbraw/zinc/27/73/21/521277321.db2.gz CMGZZHHJWZJKQF-CLJLJLNGSA-N 0 0 446.031 5.479 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021889102 521277778 /nfs/dbraw/zinc/27/77/78/521277778.db2.gz MYMJFSVOKPHLGL-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000035818742 521278289 /nfs/dbraw/zinc/27/82/89/521278289.db2.gz IASZSGYSNGVXDL-NRFANRHFSA-N 0 0 430.335 5.831 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1 ZINC000032997010 521282897 /nfs/dbraw/zinc/28/28/97/521282897.db2.gz DUKICFJCFRYLTM-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN CCCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000020594900 521283481 /nfs/dbraw/zinc/28/34/81/521283481.db2.gz JUJGYEGMLHPZRR-UHFFFAOYSA-N 0 0 449.381 7.804 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033010553 521284634 /nfs/dbraw/zinc/28/46/34/521284634.db2.gz LVGBRYVSYHMLCD-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(Cl)cc3)sc2c1 ZINC000021660976 521298671 /nfs/dbraw/zinc/29/86/71/521298671.db2.gz YNBHXUNAEXJESH-INIZCTEOSA-N 0 0 438.940 5.317 50 0 IKAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4ccccc4C(F)(F)F)CC3)sc2c1 ZINC000020383353 521300714 /nfs/dbraw/zinc/30/07/14/521300714.db2.gz KAIJUIXBSYUMNP-UHFFFAOYSA-N 0 0 449.498 5.569 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)c2c1 ZINC000022574363 521309463 /nfs/dbraw/zinc/30/94/63/521309463.db2.gz SVXXTHYDYNUSNY-UHFFFAOYSA-N 0 0 430.957 5.110 50 0 IKAARN CCOc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2c1 ZINC000012635023 521310024 /nfs/dbraw/zinc/31/00/24/521310024.db2.gz QOATVTHDSLYSPO-CYBMUJFWSA-N 0 0 435.398 5.343 50 0 IKAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4C)CC2)n1)CCCC3 ZINC000035864976 521313044 /nfs/dbraw/zinc/31/30/44/521313044.db2.gz FFOMGQNKVRDIQB-UHFFFAOYSA-N 0 0 448.636 5.184 50 0 IKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CC(c1ccccc1)c1ccccc1)CO3 ZINC000020610434 521347375 /nfs/dbraw/zinc/34/73/75/521347375.db2.gz RTMQDMIVTBPSHG-UHFFFAOYSA-N 0 0 439.555 6.038 50 0 biogenic IKAARN CCOC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(CC)C(=O)c1ccc(Cl)cc1 ZINC000036033900 521358402 /nfs/dbraw/zinc/35/84/02/521358402.db2.gz APHPVYRBSBGIFJ-BYXVTNLJSA-N 0 0 448.902 5.338 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccccc2OC)oc1C ZINC000017271556 521359296 /nfs/dbraw/zinc/35/92/96/521359296.db2.gz JRDBFCGASJVCTH-UHFFFAOYSA-N 0 0 435.549 5.461 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)oc1C ZINC000032984655 521360147 /nfs/dbraw/zinc/36/01/47/521360147.db2.gz SINFQCLLICXFAC-UHFFFAOYSA-N 0 0 439.968 6.106 50 0 IKAARN CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000012596993 521361087 /nfs/dbraw/zinc/36/10/87/521361087.db2.gz QBCNJXUUQBDROK-UHFFFAOYSA-N 0 0 434.590 5.137 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC)cc3)c2C(N)=O)C1 ZINC000035131369 521366159 /nfs/dbraw/zinc/36/61/59/521366159.db2.gz VRJGVWYXHNXJON-RQPMMQJISA-N 0 0 426.582 5.049 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2ccc(OCC)cc2)c1C ZINC000035447883 521366268 /nfs/dbraw/zinc/36/62/68/521366268.db2.gz RBOJWKCAWYWXEQ-UHFFFAOYSA-N 0 0 439.512 5.034 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1=Cc2ccccc2OC=C1 ZINC000012274543 521370811 /nfs/dbraw/zinc/37/08/11/521370811.db2.gz RRYGRAQOIFOQOH-UHFFFAOYSA-N 0 0 431.513 5.828 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(OC)c2)c(C(C)(C)CC)c1 ZINC000012567085 521370790 /nfs/dbraw/zinc/37/07/90/521370790.db2.gz KCZNBYMVEBPBGD-UHFFFAOYSA-N 0 0 425.613 6.868 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)NC2CCCCCCC2)c(C(C)(C)CC)c1 ZINC000012567086 521370967 /nfs/dbraw/zinc/37/09/67/521370967.db2.gz GFYZASMRWDMFOW-UHFFFAOYSA-N 0 0 429.689 7.450 50 0 IKAARN CCOc1cccc(COC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1 ZINC000012637352 521379914 /nfs/dbraw/zinc/37/99/14/521379914.db2.gz CTWUASBHVCRGGN-UHFFFAOYSA-N 0 0 426.896 5.440 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)c1C ZINC000021152493 521384924 /nfs/dbraw/zinc/38/49/24/521384924.db2.gz HRCBKANTAMKOQX-UHFFFAOYSA-N 0 0 438.955 5.613 50 0 IKAARN CCCc1cc2c(cc1NC(=O)COc1ccc(C34CC5CC(CC(C5)C3)C4)cc1)OCO2 ZINC000012411447 521386054 /nfs/dbraw/zinc/38/60/54/521386054.db2.gz ULVAKKDYCMJOQB-UHFFFAOYSA-N 0 0 447.575 5.853 50 0 IKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Br)cc1C ZINC000036616441 521395715 /nfs/dbraw/zinc/39/57/15/521395715.db2.gz LRICCKWTOFRSGH-UHFFFAOYSA-N 0 0 441.373 5.740 50 0 IKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Br)cc1 ZINC000036616605 521396496 /nfs/dbraw/zinc/39/64/96/521396496.db2.gz PJHZMILYODHUIR-UHFFFAOYSA-N 0 0 427.346 5.432 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023434648 521408144 /nfs/dbraw/zinc/40/81/44/521408144.db2.gz VYOOBKVKKTZPTD-GOSISDBHSA-N 0 0 437.536 5.518 50 0 IKAARN CCOC(=O)c1c(NC(=O)COCc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000022660497 521409625 /nfs/dbraw/zinc/40/96/25/521409625.db2.gz QPSYXWKFTUKKEV-KRWDZBQOSA-N 0 0 429.582 5.231 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCS2 ZINC000012762410 521412412 /nfs/dbraw/zinc/41/24/12/521412412.db2.gz JDQZZNYCFACGAT-UHFFFAOYSA-N 0 0 437.995 6.084 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)N1C[C@H](CC)Oc3ccc(Cl)cc31)CCCC2 ZINC000020489403 521416478 /nfs/dbraw/zinc/41/64/78/521416478.db2.gz KCDGYCWALCUSAR-AWEZNQCLSA-N 0 0 448.972 5.667 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3ccccc3[nH]2)c1 ZINC000035448287 521418412 /nfs/dbraw/zinc/41/84/12/521418412.db2.gz DAOVAIMGDCYKIN-HHHXNRCGSA-N 0 0 435.527 5.836 50 0 IKAARN CCCN(C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1)C1=CCCCC1 ZINC000021264352 521420325 /nfs/dbraw/zinc/42/03/25/521420325.db2.gz YIVOCTWPGBYGOP-UHFFFAOYSA-N 0 0 447.608 5.177 50 0 IKAARN CCCN(C(=O)CSc1nnc(-c2cccc(Br)c2)o1)C1=CCCCC1 ZINC000021325081 521421261 /nfs/dbraw/zinc/42/12/61/521421261.db2.gz BVJAJXFHQZBMCD-UHFFFAOYSA-N 0 0 436.375 5.288 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2cc(C)ccc2OC)c1C ZINC000020356149 521422107 /nfs/dbraw/zinc/42/21/07/521422107.db2.gz BLGYBFQGLPNJCI-UHFFFAOYSA-N 0 0 434.536 5.294 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N(C)CC(C)C)cc2)n1 ZINC000023425136 521422949 /nfs/dbraw/zinc/42/29/49/521422949.db2.gz WJSYEOAHIRQANX-UHFFFAOYSA-N 0 0 433.552 5.006 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C3CCCCC3)c2)n(-c2ccc(F)cc2)n1 ZINC000023431000 521424497 /nfs/dbraw/zinc/42/44/97/521424497.db2.gz CJXVDSGEMKCDSK-UHFFFAOYSA-N 0 0 435.499 5.374 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)NC2CCCCCCC2)c1C ZINC000020760419 521425449 /nfs/dbraw/zinc/42/54/49/521425449.db2.gz JMVHERURPDMNSZ-UHFFFAOYSA-N 0 0 440.584 5.268 50 0 IKAARN CCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2cccnc2)nc2c(C)cccc12 ZINC000017097528 521431636 /nfs/dbraw/zinc/43/16/36/521431636.db2.gz LSYMVRPJYGHIDD-UHFFFAOYSA-N 0 0 431.517 5.404 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000012196280 521431746 /nfs/dbraw/zinc/43/17/46/521431746.db2.gz YAKMPOFBWBYOOA-HYBUGGRVSA-N 0 0 432.476 5.016 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000034138860 521432543 /nfs/dbraw/zinc/43/25/43/521432543.db2.gz APSGEZZRVQENKU-RDGATRHJSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196450 521432569 /nfs/dbraw/zinc/43/25/69/521432569.db2.gz ZDVSAQCEHFPQNZ-MHECFPHRSA-N 0 0 436.533 5.406 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2C)c1 ZINC000035927420 521432799 /nfs/dbraw/zinc/43/27/99/521432799.db2.gz UXDPVKBQCSLFSB-AREMUKBSSA-N 0 0 430.573 5.978 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000035927414 521432808 /nfs/dbraw/zinc/43/28/08/521432808.db2.gz RVUOEUPQSMJHFT-AREMUKBSSA-N 0 0 430.573 5.978 50 0 IKAARN CCCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000012529493 521432945 /nfs/dbraw/zinc/43/29/45/521432945.db2.gz KKRVQKFDNREZCO-UHFFFAOYSA-N 0 0 436.364 6.574 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000034138837 521433241 /nfs/dbraw/zinc/43/32/41/521433241.db2.gz WUCNIUYUQHBRSR-RDGATRHJSA-N 0 0 436.458 5.614 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000020738414 521434798 /nfs/dbraw/zinc/43/47/98/521434798.db2.gz XTSMIDOFTBCBDS-RCZVLFRGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3ccc(F)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602923 521445716 /nfs/dbraw/zinc/44/57/16/521445716.db2.gz VXVSXJPIGNCOCA-UHFFFAOYSA-N 0 0 443.450 5.586 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3ccccc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603553 521446203 /nfs/dbraw/zinc/44/62/03/521446203.db2.gz DSRMHUYZLPHSFQ-UHFFFAOYSA-N 0 0 425.460 5.447 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C[C@H]1CCCO1 ZINC000035945002 521482706 /nfs/dbraw/zinc/48/27/06/521482706.db2.gz UBXNIFZKJFXPQH-JOCHJYFZSA-N 0 0 445.648 5.071 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@H](C)CC ZINC000035945500 521483566 /nfs/dbraw/zinc/48/35/66/521483566.db2.gz JKYAAAVUARSZRR-GOSISDBHSA-N 0 0 441.591 5.707 50 0 IKAARN CCN(c1ccc(NC(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)cc1)C(C)C ZINC000012606412 521488684 /nfs/dbraw/zinc/48/86/84/521488684.db2.gz HODRZDVOLNQPNS-DTQAZKPQSA-N 0 0 448.592 5.714 50 0 IKAARN CCOc1ccccc1CNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678379 521489465 /nfs/dbraw/zinc/48/94/65/521489465.db2.gz YBTYTUKGBADSLS-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN CCOc1ccccc1CNC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)cs1 ZINC000021656785 521493312 /nfs/dbraw/zinc/49/33/12/521493312.db2.gz OVQRBKYKANLDSG-UHFFFAOYSA-N 0 0 431.561 5.302 50 0 IKAARN CCOc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C)cc1 ZINC000021361551 521498442 /nfs/dbraw/zinc/49/84/42/521498442.db2.gz DDDMVEVLDZAXAY-UHFFFAOYSA-N 0 0 427.504 5.057 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cc2c(s1)-c1c(C)nn(-c3ccccc3)c1CC2 ZINC000021043310 521498981 /nfs/dbraw/zinc/49/89/81/521498981.db2.gz WHBARPWUMYIFKG-UHFFFAOYSA-N 0 0 443.572 5.337 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000020579149 521499012 /nfs/dbraw/zinc/49/90/12/521499012.db2.gz FJYAOCUFNBQFHI-UHFFFAOYSA-N 0 0 448.954 5.328 50 0 IKAARN CCOc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000021362353 521499069 /nfs/dbraw/zinc/49/90/69/521499069.db2.gz KKANFCQPIAROAW-UHFFFAOYSA-N 0 0 427.504 5.057 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000012758428 521500567 /nfs/dbraw/zinc/50/05/67/521500567.db2.gz HQPIDAOXVIEECG-UHFFFAOYSA-N 0 0 449.359 5.461 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000035925018 521513823 /nfs/dbraw/zinc/51/38/23/521513823.db2.gz RJPOSJBSGNTVPS-AREMUKBSSA-N 0 0 446.572 5.435 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1 ZINC000012274626 521513932 /nfs/dbraw/zinc/51/39/32/521513932.db2.gz NUPXOTNMYXTOES-QFIPXVFZSA-N 0 0 449.890 5.223 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(CC)cc2)c1 ZINC000035925046 521514083 /nfs/dbraw/zinc/51/40/83/521514083.db2.gz UBSFQLAJZCPEAE-SANMLTNESA-N 0 0 446.572 5.679 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000035924998 521514186 /nfs/dbraw/zinc/51/41/86/521514186.db2.gz KXVGDMDOQIWPOB-RUZDIDTESA-N 0 0 438.593 5.773 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000035924937 521514249 /nfs/dbraw/zinc/51/42/49/521514249.db2.gz LHRNTEOUFAPZOK-DEOSSOPVSA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000035924923 521514612 /nfs/dbraw/zinc/51/46/12/521514612.db2.gz JOOPNDRMZRWHOY-SANMLTNESA-N 0 0 446.572 5.435 50 0 IKAARN CCCN(C)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCc3ccccn3)cc2)n1 ZINC000036049792 521516015 /nfs/dbraw/zinc/51/60/15/521516015.db2.gz ZIHRNUCBHMDEBN-UHFFFAOYSA-N 0 0 449.624 5.064 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3cccc(C)c3)c2c1 ZINC000032985781 521533547 /nfs/dbraw/zinc/53/35/47/521533547.db2.gz NLYXMPNRNRMZBS-UHFFFAOYSA-N 0 0 440.499 5.404 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccccc3C)c2c1 ZINC000032985761 521533610 /nfs/dbraw/zinc/53/36/10/521533610.db2.gz YLIWAAQFICDAJT-UHFFFAOYSA-N 0 0 440.499 5.404 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(C)c1 ZINC000021893322 521541318 /nfs/dbraw/zinc/54/13/18/521541318.db2.gz DKMKZQJJRLSWCH-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879855 521541443 /nfs/dbraw/zinc/54/14/43/521541443.db2.gz SWXVOOIYQIHRBV-RUZDIDTESA-N 0 0 429.495 5.885 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879734 521541466 /nfs/dbraw/zinc/54/14/66/521541466.db2.gz MJUFZQNUZCTCCQ-RUZDIDTESA-N 0 0 429.495 5.885 50 0 IKAARN CCOC(=O)c1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)c1 ZINC000035446349 521548378 /nfs/dbraw/zinc/54/83/78/521548378.db2.gz LXEPHSQMPOKEPD-UHFFFAOYSA-N 0 0 437.459 5.267 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000017101157 521549637 /nfs/dbraw/zinc/54/96/37/521549637.db2.gz CYWXAOQVTUAPLS-UHFFFAOYSA-N 0 0 437.326 6.860 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000005949601 521550230 /nfs/dbraw/zinc/55/02/30/521550230.db2.gz VCWRTYSELLQTOI-GRFIVMBJSA-N 0 0 438.571 6.634 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1cc2cc3ccc(OC)c(Cl)c3nc2s1 ZINC000021087599 521557040 /nfs/dbraw/zinc/55/70/40/521557040.db2.gz JSVWPJGTGJFXTR-UHFFFAOYSA-N 0 0 440.908 5.541 50 0 IKAARN CCCN(CC(=O)c1c2ccccc2[nH]c1-c1ccccc1)Cc1nnc(-c2ccco2)o1 ZINC000012766156 521575590 /nfs/dbraw/zinc/57/55/90/521575590.db2.gz HWPZJIQHZBDZQH-UHFFFAOYSA-N 0 0 440.503 5.573 50 0 IKAARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nc(SCC)nn21 ZINC000017315907 521579330 /nfs/dbraw/zinc/57/93/30/521579330.db2.gz LLROPGPSFYIHEA-OAQYLSRUSA-N 0 0 449.580 5.025 50 0 IKAARN CCOC(=O)c1nn(-c2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2)c(C)c1Cl ZINC000022658225 521601491 /nfs/dbraw/zinc/60/14/91/521601491.db2.gz HBUZBQBLEHGGJX-UHFFFAOYSA-N 0 0 448.007 5.545 50 0 IKAARN CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2cccc(NC(=O)CC(C)C)c2)n1 ZINC000037396428 521601580 /nfs/dbraw/zinc/60/15/80/521601580.db2.gz JHHSFKXRGICQTQ-UHFFFAOYSA-N 0 0 432.446 5.336 50 0 IKAARN CCOC(=O)c1oc2ccccc2c1COC(=O)/C(=C/c1cccs1)c1cccs1 ZINC000012681469 521608004 /nfs/dbraw/zinc/60/80/04/521608004.db2.gz WLOTUEOHGILCOM-GHRIWEEISA-N 0 0 438.526 6.017 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)nc1CSc1nnc(SCC2CC2)s1 ZINC000002150522 521609471 /nfs/dbraw/zinc/60/94/71/521609471.db2.gz PPSMMRHSUTVCEM-UHFFFAOYSA-N 0 0 449.648 5.633 50 0 IKAARN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccc(Cl)cc1 ZINC000002982399 521612875 /nfs/dbraw/zinc/61/28/75/521612875.db2.gz LQPJPLUWWZQNAT-UHFFFAOYSA-N 0 0 446.956 5.694 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)nc1C ZINC000012353135 521614592 /nfs/dbraw/zinc/61/45/92/521614592.db2.gz SBEOSWLEOONPTF-UHFFFAOYSA-N 0 0 425.293 5.447 50 0 IKAARN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)Cc1c(Cl)cccc1Cl ZINC000012643344 521618867 /nfs/dbraw/zinc/61/88/67/521618867.db2.gz AZVLQDJHTPIJBL-UHFFFAOYSA-N 0 0 437.348 5.578 50 0 IKAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1Cl ZINC000012321734 521620960 /nfs/dbraw/zinc/62/09/60/521620960.db2.gz ALSZXCQJNJPPTF-UHFFFAOYSA-N 0 0 430.957 5.253 50 0 IKAARN CCCN(CCC)C(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000022660447 521630171 /nfs/dbraw/zinc/63/01/71/521630171.db2.gz IKMBFNOJZOZOGX-RCCKNPSSSA-N 0 0 428.985 5.511 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)C(C)C ZINC000035980425 521678349 /nfs/dbraw/zinc/67/83/49/521678349.db2.gz NQTDTQIFDGACOD-UHFFFAOYSA-N 0 0 425.960 5.927 50 0 IKAARN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C(=O)CC ZINC000035970385 521678956 /nfs/dbraw/zinc/67/89/56/521678956.db2.gz HWPBBHUTDIQQTQ-UHFFFAOYSA-N 0 0 441.959 5.784 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)c1cccs1 ZINC000035977037 521679079 /nfs/dbraw/zinc/67/90/79/521679079.db2.gz DPGFNEOWQUHSLY-UHFFFAOYSA-N 0 0 445.588 6.395 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1cccc(F)c1 ZINC000035970779 521679355 /nfs/dbraw/zinc/67/93/55/521679355.db2.gz JJSJANGGFHQZBW-UHFFFAOYSA-N 0 0 443.522 6.165 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)C1CCC1 ZINC000035972803 521679545 /nfs/dbraw/zinc/67/95/45/521679545.db2.gz HDADGQSNRDTIMK-UHFFFAOYSA-N 0 0 433.552 5.520 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035945191 521681048 /nfs/dbraw/zinc/68/10/48/521681048.db2.gz DGWFIRDQCOVZPT-UHFFFAOYSA-N 0 0 444.019 5.833 50 0 IKAARN CCCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000035944103 521681328 /nfs/dbraw/zinc/68/13/28/521681328.db2.gz ZBDGAPMJMHTFNI-UHFFFAOYSA-N 0 0 439.600 5.188 50 0 IKAARN CCN1CCN([C@@H](c2cccs2)c2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000022917857 521692480 /nfs/dbraw/zinc/69/24/80/521692480.db2.gz JYAOTWZPMGUUJO-QFIPXVFZSA-N 0 0 439.650 5.406 50 0 IKAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1sc2ccccc2c1Cl ZINC000014571223 521694266 /nfs/dbraw/zinc/69/42/66/521694266.db2.gz QGQOXCHRFZHRPH-UHFFFAOYSA-N 0 0 446.359 5.497 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000023055411 521695117 /nfs/dbraw/zinc/69/51/17/521695117.db2.gz VWEYPBUAFQLTOV-UHFFFAOYSA-N 0 0 447.922 6.235 50 0 IKAARN CCOCCCNC(=O)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC000013347983 521713562 /nfs/dbraw/zinc/71/35/62/521713562.db2.gz TVFQCSQXBGJAHS-UHFFFAOYSA-N 0 0 442.563 5.359 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000021100954 521730451 /nfs/dbraw/zinc/73/04/51/521730451.db2.gz DYFKTBOEKJMZQM-UHFFFAOYSA-N 0 0 434.971 5.802 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000021101155 521730471 /nfs/dbraw/zinc/73/04/71/521730471.db2.gz PXRJVRSKUSHYRS-UHFFFAOYSA-N 0 0 436.506 5.427 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(C)c(Cl)c1)CC2 ZINC000021100964 521730488 /nfs/dbraw/zinc/73/04/88/521730488.db2.gz YDYDFOIEGVMWCF-UHFFFAOYSA-N 0 0 448.998 6.111 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1OC)CC2 ZINC000021100923 521730540 /nfs/dbraw/zinc/73/05/40/521730540.db2.gz LKRAKEOXJMZSJA-UHFFFAOYSA-N 0 0 430.552 5.157 50 0 biogenic IKAARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012563179 521730707 /nfs/dbraw/zinc/73/07/07/521730707.db2.gz KRZWNWJTRHQEBX-KGENOOAVSA-N 0 0 425.359 6.787 50 0 IKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000035980863 521739439 /nfs/dbraw/zinc/73/94/39/521739439.db2.gz WTACUENFANSXLC-SFHVURJKSA-N 0 0 436.556 5.218 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000035978424 521739476 /nfs/dbraw/zinc/73/94/76/521739476.db2.gz SBXKCEQWFBIAER-SFHVURJKSA-N 0 0 436.556 5.312 50 0 IKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000035980280 521739522 /nfs/dbraw/zinc/73/95/22/521739522.db2.gz GRIOMRQGRAQUFA-UHFFFAOYSA-N 0 0 448.567 5.177 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@@H](CC)c2ccccc2)[C@@H](C)CC)c1 ZINC000035945520 521742942 /nfs/dbraw/zinc/74/29/42/521742942.db2.gz OYIWVUFOCPYWQY-CVDCTZTESA-N 0 0 438.616 5.215 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@H](CC)c2ccccc2)[C@H](C)CC)c1 ZINC000035945521 521742944 /nfs/dbraw/zinc/74/29/44/521742944.db2.gz OYIWVUFOCPYWQY-AUSIDOKSSA-N 0 0 438.616 5.215 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)[C@H](C)C(C)C)c1 ZINC000035944654 521743029 /nfs/dbraw/zinc/74/30/29/521743029.db2.gz WYZTTXQPCCWRGA-QGZVFWFLSA-N 0 0 445.007 5.234 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21 ZINC000017097541 521753943 /nfs/dbraw/zinc/75/39/43/521753943.db2.gz UKWPIBFGBCYPCY-UHFFFAOYSA-N 0 0 431.517 5.322 50 0 IKAARN COc1c(Br)cc(Cl)cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 ZINC000012380048 521775961 /nfs/dbraw/zinc/77/59/61/521775961.db2.gz VYNCLDMAYOOPMP-VQHVLOKHSA-N 0 0 432.701 5.755 50 0 IKAARN COCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 ZINC000012814751 521781996 /nfs/dbraw/zinc/78/19/96/521781996.db2.gz CXLVNVCFHHDTEQ-UHFFFAOYSA-N 0 0 440.512 5.083 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(Cl)cc3)oc1C)CCCC2 ZINC000012274734 521785665 /nfs/dbraw/zinc/78/56/65/521785665.db2.gz KHEXYWWIMHQMRM-UHFFFAOYSA-N 0 0 429.925 5.888 50 0 IKAARN CCc1cccc2c(C(=O)[C@H](Sc3nnc(-c4cccnc4)o3)c3ccccc3)c[nH]c21 ZINC000022149131 521787852 /nfs/dbraw/zinc/78/78/52/521787852.db2.gz TVGJLYCPEANQMR-HSZRJFAPSA-N 0 0 440.528 5.892 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888629 521792411 /nfs/dbraw/zinc/79/24/11/521792411.db2.gz DQFRIAXGTCKWFD-DEOSSOPVSA-N 0 0 430.979 6.265 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035579270 521792735 /nfs/dbraw/zinc/79/27/35/521792735.db2.gz VUDIZLFBBCIDGY-QHCPKHFHSA-N 0 0 431.967 5.660 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCC(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908399 521792889 /nfs/dbraw/zinc/79/28/89/521792889.db2.gz JCUQMUTZLANPLH-FQEVSTJZSA-N 0 0 430.514 6.433 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccc3)c3ccc(Cl)cc3)cn(CC)c21 ZINC000035872470 521793609 /nfs/dbraw/zinc/79/36/09/521793609.db2.gz CEWLFWBFCVTBEB-VWLOTQADSA-N 0 0 445.006 6.715 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3ccc(OC)cc3)c[nH]c21 ZINC000036000221 521793773 /nfs/dbraw/zinc/79/37/73/521793773.db2.gz KWVSLOKHKGQNJN-DEOSSOPVSA-N 0 0 427.548 5.015 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccc3)c3cccc4c3OCO4)c[nH]c21 ZINC000035908196 521794934 /nfs/dbraw/zinc/79/49/34/521794934.db2.gz LGZOBTOFORQROD-HSZRJFAPSA-N 0 0 440.543 5.340 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)C(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908395 521795005 /nfs/dbraw/zinc/79/50/05/521795005.db2.gz MYXQDLLKHFEZQT-UZLBHIALSA-N 0 0 430.514 6.432 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908326 521795698 /nfs/dbraw/zinc/79/56/98/521795698.db2.gz YTVROIPBIZOXQL-FDDCHVKYSA-N 0 0 430.979 6.783 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888635 521795752 /nfs/dbraw/zinc/79/57/52/521795752.db2.gz HAHHFULDITVPQP-MHECFPHRSA-N 0 0 430.979 6.783 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888886 521795874 /nfs/dbraw/zinc/79/58/74/521795874.db2.gz NTULFDWQCLZBJF-JOCHJYFZSA-N 0 0 426.516 5.297 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc(Cl)cc3)cn(CC)c21 ZINC000035872471 521795922 /nfs/dbraw/zinc/79/59/22/521795922.db2.gz CEWLFWBFCVTBEB-RUZDIDTESA-N 0 0 445.006 6.715 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)c3ccccc3)c3ccccc3OC)c[nH]c21 ZINC000035908354 521795954 /nfs/dbraw/zinc/79/59/54/521795954.db2.gz MLJSPQRROVMACV-NTKDMRAZSA-N 0 0 426.560 6.138 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)Nc1ccc(Br)cc1-2 ZINC000003001043 521799046 /nfs/dbraw/zinc/79/90/46/521799046.db2.gz IPFWSAHLJZGYIB-MRXNPFEDSA-N 0 0 449.761 5.570 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1C(F)(F)F)N(C(C)=O)c1ccccc1-2 ZINC000032997282 521800021 /nfs/dbraw/zinc/80/00/21/521800021.db2.gz ZQMPHPHWMCDYJQ-LJQANCHMSA-N 0 0 446.454 5.114 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997671 521800072 /nfs/dbraw/zinc/80/00/72/521800072.db2.gz OXFDIVSWURFLCH-NRFANRHFSA-N 0 0 440.956 5.365 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997476 521800275 /nfs/dbraw/zinc/80/02/75/521800275.db2.gz DMLABKPZSSQFLS-HXUWFJFHSA-N 0 0 426.929 5.057 50 0 IKAARN CNC(=O)c1ccc(CN(Cc2ccco2)Cc2cc3ccc(C)c(C)c3nc2Cl)cc1 ZINC000012761690 521809316 /nfs/dbraw/zinc/80/93/16/521809316.db2.gz OTMPFRGQLONEHU-UHFFFAOYSA-N 0 0 447.966 5.660 50 0 IKAARN CC[C@@H](C(=O)N1CCCCCC1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532401 521814739 /nfs/dbraw/zinc/81/47/39/521814739.db2.gz FEPMIRBCJJVCTH-FQEVSTJZSA-N 0 0 426.561 5.216 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000035925106 521851914 /nfs/dbraw/zinc/85/19/14/521851914.db2.gz PELXQMIHVGLKRH-IQGLISFBSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000012914803 521862667 /nfs/dbraw/zinc/86/26/67/521862667.db2.gz ZRGAZRGKJZFMRW-UHFFFAOYSA-N 0 0 431.319 5.527 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2C)cc1)c1ccccc1 ZINC000035927160 521869963 /nfs/dbraw/zinc/86/99/63/521869963.db2.gz OPKOBFVEHXQSLW-YIXXDRMTSA-N 0 0 444.600 6.214 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)cc2)cc1)c1ccccc1 ZINC000035912279 521870166 /nfs/dbraw/zinc/87/01/66/521870166.db2.gz XPRWARYBBWQWDB-ZEQKJWHPSA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN([C@@H](C)c1ccc(F)cc1)C(=O)CO2)c1ccccc1 ZINC000035909698 521871637 /nfs/dbraw/zinc/87/16/37/521871637.db2.gz VJUVKYARPMVAPK-MHECFPHRSA-N 0 0 446.522 5.440 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)ccc2F)c1)c1ccccc1 ZINC000035928051 521872487 /nfs/dbraw/zinc/87/24/87/521872487.db2.gz FLYDNXHMHZAXCS-QFQXNSOFSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)n1ccc(C(=O)Nc2cccc(Cl)c2C)n1 ZINC000020617441 521873817 /nfs/dbraw/zinc/87/38/17/521873817.db2.gz KWSHROXANVMIQW-FQEVSTJZSA-N 0 0 445.350 5.649 50 0 IKAARN COc1c2cc(NC(=O)Cc3cccc(Cl)c3)ccc2oc1C(=O)Nc1ccccc1 ZINC000033310128 521889901 /nfs/dbraw/zinc/88/99/01/521889901.db2.gz PJRYBMXAUSHKPG-UHFFFAOYSA-N 0 0 434.879 5.528 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021893924 521891678 /nfs/dbraw/zinc/89/16/78/521891678.db2.gz RELFLEOETBDMRK-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN COc1cc(-c2ccc(/C=C3\SC(=N)N(c4nccs4)C3=O)o2)c(OC)cc1Cl ZINC000015799264 521894972 /nfs/dbraw/zinc/89/49/72/521894972.db2.gz PBJFVBYSAMOWKW-SXQDKWFCSA-N 0 0 447.925 5.129 50 0 IKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000033278698 521898138 /nfs/dbraw/zinc/89/81/38/521898138.db2.gz SRFQBQJTCAFEJN-UHFFFAOYSA-N 0 0 431.923 6.825 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCC1 ZINC000033009612 521898644 /nfs/dbraw/zinc/89/86/44/521898644.db2.gz UDVILWVZNAQWOU-UHFFFAOYSA-N 0 0 442.563 6.136 50 0 IKAARN COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(=O)Cc1ccsc1)C2 ZINC000015000472 521899129 /nfs/dbraw/zinc/89/91/29/521899129.db2.gz LGPIZIYLYLKEJY-UHFFFAOYSA-N 0 0 425.575 5.109 50 0 IKAARN COc1cc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)ccc1OCc1ccccc1 ZINC000034712301 521900397 /nfs/dbraw/zinc/90/03/97/521900397.db2.gz PIVRPTFSHFJQIE-UHFFFAOYSA-N 0 0 444.556 5.670 50 0 IKAARN COc1cc(-c2nc(C(=O)NCC(C)C)cs2)ccc1OCc1ccccc1Cl ZINC000034712399 521900535 /nfs/dbraw/zinc/90/05/35/521900535.db2.gz QJJGDQLZBVUSQL-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)ccc1OCc1ccccc1 ZINC000034712289 521900906 /nfs/dbraw/zinc/90/09/06/521900906.db2.gz BTYJCUCIDVXWIP-UHFFFAOYSA-N 0 0 430.529 5.958 50 0 IKAARN COc1cc(-c2nc(C(=O)NCC(C)C)cs2)ccc1OCc1ccc(F)cc1F ZINC000034712434 521901248 /nfs/dbraw/zinc/90/12/48/521901248.db2.gz RJDMITHZZKGTNO-UHFFFAOYSA-N 0 0 432.492 5.062 50 0 IKAARN COc1cc(-c2nc3nc(C)cc(C)n3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O ZINC000035606517 521906294 /nfs/dbraw/zinc/90/62/94/521906294.db2.gz XHOJWWJPKNDKDQ-UHFFFAOYSA-N 0 0 432.524 5.603 50 0 IKAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000012193520 521906322 /nfs/dbraw/zinc/90/63/22/521906322.db2.gz WHRDWMGMEXJLBI-UHFFFAOYSA-N 0 0 448.519 5.075 50 0 IKAARN COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C)c(Br)c2)ccc1O ZINC000035616350 521906764 /nfs/dbraw/zinc/90/67/64/521906764.db2.gz ZURHPAXSHGXQCA-UHFFFAOYSA-N 0 0 438.325 5.838 50 0 IKAARN CCc1ccccc1NCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)n1 ZINC000021659363 521908850 /nfs/dbraw/zinc/90/88/50/521908850.db2.gz WEYQKJLFBOZICT-UHFFFAOYSA-N 0 0 438.531 5.432 50 0 IKAARN CNC(=O)c1cccc2cccc(Sc3ccccc3COC(=O)c3ccc(C)cc3)c21 ZINC000012339587 521915845 /nfs/dbraw/zinc/91/58/45/521915845.db2.gz PFDQDZJVCHWJFC-UHFFFAOYSA-N 0 0 441.552 6.016 50 0 IKAARN COC(=O)c1ccc(-c2nc(CN3CCC(Oc4ccc(Cl)cc4)CC3)c(C)o2)cc1 ZINC000012228844 521926316 /nfs/dbraw/zinc/92/63/16/521926316.db2.gz YYAPEYRNLSIJGV-UHFFFAOYSA-N 0 0 440.927 5.133 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)ccc1OC(C)C ZINC000017101425 521930638 /nfs/dbraw/zinc/93/06/38/521930638.db2.gz BXHXISSFKLHVJM-ZRDIBKRKSA-N 0 0 437.515 5.135 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)ccc1OCC(C)C ZINC000012760534 521930851 /nfs/dbraw/zinc/93/08/51/521930851.db2.gz JVJMBRDJTZUFQB-GXDHUFHOSA-N 0 0 433.552 5.493 50 0 IKAARN COC(=O)c1ccc(C)cc1NC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1OC ZINC000015864457 521990842 /nfs/dbraw/zinc/99/08/42/521990842.db2.gz AKMJBLHAIJIOFY-UHFFFAOYSA-N 0 0 445.475 5.551 50 0 biogenic IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(CN(Cc3cccs3)C[C@@H]3CCCO3)nc(=O)c12 ZINC000012908958 522032289 /nfs/dbraw/zinc/03/22/89/522032289.db2.gz FONVBWNPBIDONO-WBVHZDCISA-N 0 0 445.654 5.124 50 0 IKAARN CN(C)[C@@H](c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C)c1ccccc1 ZINC000012381209 522034451 /nfs/dbraw/zinc/03/44/51/522034451.db2.gz SMDIIMSRSWPTII-RYHXUKFKSA-N 0 0 444.410 5.932 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C ZINC000012529515 522043730 /nfs/dbraw/zinc/04/37/30/522043730.db2.gz GYOVDRUKJSTHQO-XOBRGWDASA-N 0 0 426.910 6.948 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1cc(Br)ccc1OC ZINC000035145506 522045522 /nfs/dbraw/zinc/04/55/22/522045522.db2.gz DQPBDEMPEOELFE-UQTJOTSZSA-N 0 0 447.398 5.498 50 0 IKAARN COc1cc(C(=O)CCNc2ccc(Oc3ccc(Cl)cc3)cc2)cc(OC)c1OC ZINC000012418496 522051454 /nfs/dbraw/zinc/05/14/54/522051454.db2.gz WDCBUZQBEHTVMH-UHFFFAOYSA-N 0 0 441.911 5.843 50 0 biogenic,in-vitro IKAARN COCCn1c(-c2cccs2)c(NC(=O)c2ccc(C)cc2)s/c1=N\c1ccccc1 ZINC000015229562 522053359 /nfs/dbraw/zinc/05/33/59/522053359.db2.gz YMFXBKRAKGPHCZ-IZHYLOQSSA-N 0 0 449.601 5.718 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000012692063 522054646 /nfs/dbraw/zinc/05/46/46/522054646.db2.gz WMMOREQOEKNLEZ-UHFFFAOYSA-N 0 0 433.508 5.076 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@@H](C)C3 ZINC000035525063 522056356 /nfs/dbraw/zinc/05/63/56/522056356.db2.gz WSEQVLUMDPLERW-MSOLQXFVSA-N 0 0 448.636 5.292 50 0 IKAARN COCCn1c(C)cc(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1C ZINC000012635031 522061191 /nfs/dbraw/zinc/06/11/91/522061191.db2.gz WNKVDYFBVGYDSL-XMMPIXPASA-N 0 0 427.997 6.110 50 0 IKAARN COc1cc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)cc(OC)c1OC ZINC000012768338 522062618 /nfs/dbraw/zinc/06/26/18/522062618.db2.gz GVSCBJOWSRYBRN-QGZVFWFLSA-N 0 0 425.550 5.048 50 0 IKAARN CC[C@@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000035808303 522066823 /nfs/dbraw/zinc/06/68/23/522066823.db2.gz FBXOEZSGBBGTFP-QGZVFWFLSA-N 0 0 447.620 5.333 50 0 IKAARN CC[C@@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000035808183 522066844 /nfs/dbraw/zinc/06/68/44/522066844.db2.gz QMDXVIQFKKLAFZ-QGZVFWFLSA-N 0 0 442.556 5.258 50 0 IKAARN CC[C@H](C)n1c(SCC(=O)N[C@H](C)c2cccc3ccccc32)nc2ccccc2c1=O ZINC000012784535 522071688 /nfs/dbraw/zinc/07/16/88/522071688.db2.gz HCMVVEAEWLVWPC-ZWKOTPCHSA-N 0 0 445.588 5.490 50 0 IKAARN COCCn1c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605474 522077796 /nfs/dbraw/zinc/07/77/96/522077796.db2.gz OQHXTRUCDCPHGB-UHFFFAOYSA-N 0 0 437.487 5.084 50 0 IKAARN CC[C@@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1F ZINC000035972123 522095874 /nfs/dbraw/zinc/09/58/74/522095874.db2.gz OWZZIGFASRTXOD-LJQANCHMSA-N 0 0 436.575 5.642 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1ccco1 ZINC000035970685 522096974 /nfs/dbraw/zinc/09/69/74/522096974.db2.gz IYCFAGLMJJCZAL-LJQANCHMSA-N 0 0 429.520 6.007 50 0 IKAARN CC[C@@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000035776443 522097442 /nfs/dbraw/zinc/09/74/42/522097442.db2.gz JPRYMSGWGDIIGH-LJQANCHMSA-N 0 0 437.561 5.133 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035943885 522097537 /nfs/dbraw/zinc/09/75/37/522097537.db2.gz ARFPZVQHPPERIO-QGZVFWFLSA-N 0 0 444.019 5.832 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000035945544 522098639 /nfs/dbraw/zinc/09/86/39/522098639.db2.gz DPKZHIMILIMQJZ-LJQANCHMSA-N 0 0 433.552 5.347 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(C)cc1 ZINC000036031519 522103428 /nfs/dbraw/zinc/10/34/28/522103428.db2.gz HQKRBRZLYSXORG-QGZVFWFLSA-N 0 0 428.985 6.125 50 0 IKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000020212660 522103978 /nfs/dbraw/zinc/10/39/78/522103978.db2.gz LIJWDLGRKHBPIQ-OAHLLOKOSA-N 0 0 434.436 6.966 50 0 IKAARN CN(C)c1c(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2)c(-c2ccccc2)nn1C ZINC000035970186 522110296 /nfs/dbraw/zinc/11/02/96/522110296.db2.gz DDYBKRSYRVKJKW-UHFFFAOYSA-N 0 0 442.538 5.135 50 0 IKAARN COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc1 ZINC000033169396 522110568 /nfs/dbraw/zinc/11/05/68/522110568.db2.gz WPMMDDWKKDVEGI-UHFFFAOYSA-N 0 0 441.487 6.056 50 0 IKAARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000091695545 522117780 /nfs/dbraw/zinc/11/77/80/522117780.db2.gz FWCPQOXVAVENMG-UHFFFAOYSA-N 0 0 434.849 6.131 50 0 IKAARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)Sc3ccc(Cl)cc3)cc2)n1 ZINC000091695116 522118173 /nfs/dbraw/zinc/11/81/73/522118173.db2.gz YCVSYNWODCKWLS-UHFFFAOYSA-N 0 0 436.886 6.419 50 0 IKAARN CN(C)c1cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc2n1 ZINC000022205429 522121475 /nfs/dbraw/zinc/12/14/75/522121475.db2.gz KJJHGGHALYSPOM-UHFFFAOYSA-N 0 0 447.623 6.173 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)cc1 ZINC000012250918 522124981 /nfs/dbraw/zinc/12/49/81/522124981.db2.gz IXLOCMPCVLHZAK-UHFFFAOYSA-N 0 0 437.908 5.238 50 0 IKAARN COc1cc(C(=O)Oc2ccccc2/C=C2/Sc3ccccc3C2=O)cc(OC)c1OC ZINC000000897409 522171162 /nfs/dbraw/zinc/17/11/62/522171162.db2.gz QFUAEIUSOXUDQZ-HYARGMPZSA-N 0 0 448.496 5.261 50 0 IKAARN COc1cc(C(=O)OCc2nc3ccccc3s2)ccc1OCc1csc(C)n1 ZINC000012855697 522172369 /nfs/dbraw/zinc/17/23/69/522172369.db2.gz GAYPNDSTETUJBY-UHFFFAOYSA-N 0 0 426.519 5.006 50 0 IKAARN CC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000033437708 522172886 /nfs/dbraw/zinc/17/28/86/522172886.db2.gz PXOFLVJDYUOHCP-QFQXNSOFSA-N 0 0 442.578 6.574 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195641 522174284 /nfs/dbraw/zinc/17/42/84/522174284.db2.gz CYLBXWUYJIMPGO-LADGPHEKSA-N 0 0 448.906 5.378 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012195796 522174824 /nfs/dbraw/zinc/17/48/24/522174824.db2.gz VCWMZPNFXLNGTM-ISKFKSNPSA-N 0 0 448.906 5.378 50 0 IKAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834178 522212056 /nfs/dbraw/zinc/21/20/56/522212056.db2.gz MSHGZUDLINDBJW-OAHLLOKOSA-N 0 0 434.927 5.254 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCC3CCCC3)c2)cc1 ZINC000035928489 522219294 /nfs/dbraw/zinc/21/92/94/522219294.db2.gz ILODWRZLJVYBKC-RUZDIDTESA-N 0 0 437.609 5.440 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000035928470 522220579 /nfs/dbraw/zinc/22/05/79/522220579.db2.gz OHQOUIYXAKOLDM-JTQMXQEVSA-N 0 0 443.572 5.183 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035928507 522221458 /nfs/dbraw/zinc/22/14/58/522221458.db2.gz BLRKFMUDGRQZSL-AREMUKBSSA-N 0 0 445.588 5.103 50 0 IKAARN CN(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000035706137 522222023 /nfs/dbraw/zinc/22/20/23/522222023.db2.gz VZRDWWRTUAVQGW-UHFFFAOYSA-N 0 0 441.575 5.149 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(CC1CC1)C(=O)c1cccc(F)c1 ZINC000035946101 522222515 /nfs/dbraw/zinc/22/25/15/522222515.db2.gz RNERIJFSYVZBPJ-UHFFFAOYSA-N 0 0 439.575 5.319 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(CC1CC1)C(=O)c1ccc(F)cc1 ZINC000035946085 522223665 /nfs/dbraw/zinc/22/36/65/522223665.db2.gz WARIKQKWDOEGQH-UHFFFAOYSA-N 0 0 437.559 5.073 50 0 IKAARN COC(=O)c1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000021879781 522228896 /nfs/dbraw/zinc/22/88/96/522228896.db2.gz GCPAKEWYHHAXGD-DEOSSOPVSA-N 0 0 443.478 5.273 50 0 IKAARN COC(=O)c1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1 ZINC000021891586 522229929 /nfs/dbraw/zinc/22/99/29/522229929.db2.gz JGEKQPIZOKLLPC-HSZRJFAPSA-N 0 0 443.528 5.463 50 0 IKAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)CCC2CCCC2)ccc1N1CCCC[C@@H]1C ZINC000034919692 522230488 /nfs/dbraw/zinc/23/04/88/522230488.db2.gz PUNOPRWDKAFTMQ-MOPGFXCFSA-N 0 0 449.661 5.051 50 0 IKAARN COC(=O)c1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000021879794 522276922 /nfs/dbraw/zinc/27/69/22/522276922.db2.gz BSGXFOKYPNLSME-RUZDIDTESA-N 0 0 439.515 5.443 50 0 IKAARN COC(=O)c1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879711 522276965 /nfs/dbraw/zinc/27/69/65/522276965.db2.gz YSUGWRSIXFKRLG-XMMPIXPASA-N 0 0 443.478 5.273 50 0 IKAARN CC[C@H](NC(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000012455082 522377187 /nfs/dbraw/zinc/37/71/87/522377187.db2.gz CKKNHAVOCSPQIU-WNCULLNHSA-N 0 0 446.616 5.654 50 0 IKAARN COc1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(O)c2)cc(OC)c1OC ZINC000023128419 522398181 /nfs/dbraw/zinc/39/81/81/522398181.db2.gz XZASUGLNIGRPEG-SANMLTNESA-N 0 0 444.531 5.047 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2c1OC ZINC000035513034 522431068 /nfs/dbraw/zinc/43/10/68/522431068.db2.gz ZWPXPBLZZMQCHG-UHFFFAOYSA-N 0 0 435.299 5.103 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)nc2c1 ZINC000016610644 522431886 /nfs/dbraw/zinc/43/18/86/522431886.db2.gz YRLBDFGBBOMNRL-GOSISDBHSA-N 0 0 428.532 6.643 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@H](C)C3 ZINC000035525065 522441095 /nfs/dbraw/zinc/44/10/95/522441095.db2.gz WSEQVLUMDPLERW-ZWKOTPCHSA-N 0 0 448.636 5.292 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CCCC3 ZINC000035849296 522441283 /nfs/dbraw/zinc/44/12/83/522441283.db2.gz ZAPYFYLMNDHPTK-MRXNPFEDSA-N 0 0 428.646 5.168 50 0 IKAARN COC(=O)c1sccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000020860341 522446808 /nfs/dbraw/zinc/44/68/08/522446808.db2.gz GZYKGRLBOZXYGI-NRFANRHFSA-N 0 0 449.507 5.335 50 0 IKAARN COC(=O)c1sccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000020860351 522447085 /nfs/dbraw/zinc/44/70/85/522447085.db2.gz ONWGESPSVYMDGP-QFIPXVFZSA-N 0 0 445.544 5.504 50 0 IKAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O ZINC000012780568 522452812 /nfs/dbraw/zinc/45/28/12/522452812.db2.gz UTWFAHVHRMVGSR-CYBMUJFWSA-N 0 0 435.471 5.117 50 0 IKAARN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875012 522464267 /nfs/dbraw/zinc/46/42/67/522464267.db2.gz DGSUYZMXYAWRIV-UHFFFAOYSA-N 0 0 425.912 5.224 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012849182 522496846 /nfs/dbraw/zinc/49/68/46/522496846.db2.gz LNJOEHCLWFMNPO-UHFFFAOYSA-N 0 0 430.335 5.064 50 0 IKAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)Nc4ccc(C)cc4C)CC2)n1)CCCC3 ZINC000035867167 522538896 /nfs/dbraw/zinc/53/88/96/522538896.db2.gz ABAWSAKSUYPSNP-UHFFFAOYSA-N 0 0 449.624 5.103 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)c1ccco1)C(C)C ZINC000035972537 522637290 /nfs/dbraw/zinc/63/72/90/522637290.db2.gz CRVLLZVURMXZKV-UHFFFAOYSA-N 0 0 447.510 6.010 50 0 IKAARN COc1cc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000033334143 522637459 /nfs/dbraw/zinc/63/74/59/522637459.db2.gz MYRFLKPFDVKFQH-UITAMQMPSA-N 0 0 431.275 5.499 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C(=O)C1CCCC1)C1CC1 ZINC000035975977 522638187 /nfs/dbraw/zinc/63/81/87/522638187.db2.gz IAEKMGVYJPIXNQ-UHFFFAOYSA-N 0 0 447.554 6.047 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C(=O)NC(C)(C)C)C1CC1 ZINC000035978213 522638256 /nfs/dbraw/zinc/63/82/56/522638256.db2.gz DJGADRDVDZTFLJ-UHFFFAOYSA-N 0 0 446.595 6.008 50 0 IKAARN COc1cc(NC(=O)/C=C/c2ccccc2)c(-c2nc(-c3ccccc3)no2)cc1OC ZINC000020744865 522639445 /nfs/dbraw/zinc/63/94/45/522639445.db2.gz FKAZTDQEEGFMJK-BUHFOSPRSA-N 0 0 427.460 5.073 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035978217 522640399 /nfs/dbraw/zinc/64/03/99/522640399.db2.gz XALYNSUJUFCITO-UHFFFAOYSA-N 0 0 432.568 5.618 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC1CC1)C(=O)C(C)C ZINC000035980114 522640444 /nfs/dbraw/zinc/64/04/44/522640444.db2.gz JUOLWQIDFYVKDO-UHFFFAOYSA-N 0 0 435.543 5.761 50 0 IKAARN COc1cc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(OC)cc1Cl ZINC000012871715 522662927 /nfs/dbraw/zinc/66/29/27/522662927.db2.gz UIJWFJADHSYZKH-NRFANRHFSA-N 0 0 448.997 5.066 50 0 IKAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C ZINC000012586177 522663469 /nfs/dbraw/zinc/66/34/69/522663469.db2.gz CDVHQJRRSUCZGP-KRWDZBQOSA-N 0 0 431.960 5.204 50 0 IKAARN COc1cc(NC(=O)N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC ZINC000022643451 522679318 /nfs/dbraw/zinc/67/93/18/522679318.db2.gz OVVVANUEFSRMRI-UHFFFAOYSA-N 0 0 440.584 5.497 50 0 IKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000023434924 522688327 /nfs/dbraw/zinc/68/83/27/522688327.db2.gz IFLGIVXUKRBHEJ-QHCPKHFHSA-N 0 0 436.483 5.031 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nnc(Cc4ccc(C)cc4)o3)cc2)cc(OC)c1 ZINC000021705568 522702512 /nfs/dbraw/zinc/70/25/12/522702512.db2.gz BNPJTYJFVATZFM-UHFFFAOYSA-N 0 0 444.491 5.297 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)c(OC)cc1Cl ZINC000012756274 522717258 /nfs/dbraw/zinc/71/72/58/522717258.db2.gz FXWCWCQCNBVHJN-UHFFFAOYSA-N 0 0 437.883 5.430 50 0 IKAARN COc1cc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc(OC)c1 ZINC000020988676 522763900 /nfs/dbraw/zinc/76/39/00/522763900.db2.gz YQQREZVWQZCNCS-NRFANRHFSA-N 0 0 439.874 5.748 50 0 IKAARN COc1cc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc(OC)c1 ZINC000035446455 522770835 /nfs/dbraw/zinc/77/08/35/522770835.db2.gz PVIPOEFCBNQNBC-UHFFFAOYSA-N 0 0 439.475 5.416 50 0 IKAARN COc1cc(OC)c(C2=CCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)c(OC)c1 ZINC000022186199 522791445 /nfs/dbraw/zinc/79/14/45/522791445.db2.gz JWJXUKAAMAFHGF-UHFFFAOYSA-N 0 0 446.547 5.314 50 0 IKAARN CCc1nnc2c(Oc3cccc(NC(=O)c4sccc4C)c3)nc3ccccc3n12 ZINC000035461156 522796743 /nfs/dbraw/zinc/79/67/43/522796743.db2.gz XWFIMYLHYXCHFQ-UHFFFAOYSA-N 0 0 429.505 5.254 50 0 IKAARN COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1Cl ZINC000012758970 522802151 /nfs/dbraw/zinc/80/21/51/522802151.db2.gz IYOCRXKIZOGQGB-QHCPKHFHSA-N 0 0 442.968 5.005 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2cccc(-c3noc(C4CCC4)n3)c2)cc1Cl ZINC000035553285 522809987 /nfs/dbraw/zinc/80/99/87/522809987.db2.gz RSIFYOSLCRYNKW-UHFFFAOYSA-N 0 0 428.876 5.319 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)cc1Cl ZINC000022239282 522810957 /nfs/dbraw/zinc/81/09/57/522810957.db2.gz UICBGFYKGOSCJE-UHFFFAOYSA-N 0 0 441.846 5.260 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1Cl ZINC000035429684 522811933 /nfs/dbraw/zinc/81/19/33/522811933.db2.gz NEVMWMJUGYWKMM-UHFFFAOYSA-N 0 0 448.910 5.605 50 0 IKAARN COc1cc(OC)c(OC)cc1/C=C1\N=C(/C=C/c2cccc(Cl)c2Cl)OC1=O ZINC000020616038 522817201 /nfs/dbraw/zinc/81/72/01/522817201.db2.gz WGOSEMALDSCJOL-YMOMHROCSA-N 0 0 434.275 5.029 50 0 IKAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157817 522832481 /nfs/dbraw/zinc/83/24/81/522832481.db2.gz FQGMWVDNOLWCKF-HNNXBMFYSA-N 0 0 429.925 5.568 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3OC)n2C2CCCCC2)c1 ZINC000035847599 522839298 /nfs/dbraw/zinc/83/92/98/522839298.db2.gz DXMIFXHKHWNIMK-UHFFFAOYSA-N 0 0 439.581 5.768 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3OC)n2-c2ccccc2C)c1 ZINC000035847722 522839729 /nfs/dbraw/zinc/83/97/29/522839729.db2.gz OBPBBCHIICYAPV-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cc(F)ccc3F)n2-c2ccccc2)c1 ZINC000035847632 522839841 /nfs/dbraw/zinc/83/98/41/522839841.db2.gz DHPSIUDCZCJHDU-UHFFFAOYSA-N 0 0 439.487 5.522 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1OC ZINC000021915762 522892151 /nfs/dbraw/zinc/89/21/51/522892151.db2.gz AOFYRAUPVTWLCV-FQEVSTJZSA-N 0 0 429.476 5.208 50 0 IKAARN COc1cc(SC)ccc1C(=O)N[C@@H](Cc1nc2ccccc2n1C)c1ccccc1 ZINC000012628685 522896454 /nfs/dbraw/zinc/89/64/54/522896454.db2.gz HIGAKEDMWRBMLJ-NRFANRHFSA-N 0 0 431.561 5.018 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021936745 522915440 /nfs/dbraw/zinc/91/54/40/522915440.db2.gz DPFDWCFGUUQLOA-SFTDATJTSA-N 0 0 448.592 5.150 50 0 IKAARN COCc1cc(C)nc2sc3c(nc(-c4ccc(OC)cc4)nc3-c3ccccc3)c21 ZINC000012445645 522918958 /nfs/dbraw/zinc/91/89/58/522918958.db2.gz DPXRYYIWZFDSKF-UHFFFAOYSA-N 0 0 427.529 6.037 50 0 IKAARN COCc1cc(C)nc2sc(-c3cc(-c4ccc(OC)cc4)no3)c(-n3cccc3)c21 ZINC000012445378 522919213 /nfs/dbraw/zinc/91/92/13/522919213.db2.gz RNFMFVFXGFFIJD-UHFFFAOYSA-N 0 0 431.517 5.872 50 0 IKAARN CC[C@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020510698 522926160 /nfs/dbraw/zinc/92/61/60/522926160.db2.gz SSPDTVYCSILAMS-KRWDZBQOSA-N 0 0 430.986 5.724 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc(OC)c1OC ZINC000015106868 522960622 /nfs/dbraw/zinc/96/06/22/522960622.db2.gz SIOXAIQOBKXQQW-GOEBONIOSA-N 0 0 429.582 5.399 50 0 IKAARN CC[C@H]1CCCCN1C(=O)Cc1c(C)nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1C ZINC000035477098 523007620 /nfs/dbraw/zinc/00/76/20/523007620.db2.gz CLUPXDGANYWTRM-NRFANRHFSA-N 0 0 433.600 5.039 50 0 IKAARN COc1cc2c(cc1NC(=O)CSc1nnc(-c3ccc(F)cc3)o1)oc1ccccc12 ZINC000015081068 523016654 /nfs/dbraw/zinc/01/66/54/523016654.db2.gz NONQVGPGDXSDRY-UHFFFAOYSA-N 0 0 449.463 5.515 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(C)c(F)c3)cc1)=NCC2 ZINC000035623005 523023439 /nfs/dbraw/zinc/02/34/39/523023439.db2.gz QDCIBIDNQMJPNV-UHFFFAOYSA-N 0 0 447.510 5.383 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000023443253 523040991 /nfs/dbraw/zinc/04/09/91/523040991.db2.gz SSTSKBQRJVQFSC-HSZRJFAPSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(F)cc1F)CC2 ZINC000022023186 523041770 /nfs/dbraw/zinc/04/17/70/523041770.db2.gz AQVFEFCWMHJEPV-XMMPIXPASA-N 0 0 429.894 5.783 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)CCC1CCCC1)CC2 ZINC000022668478 523052343 /nfs/dbraw/zinc/05/23/43/523052343.db2.gz CJIVLTZWDSKEHV-VWLOTQADSA-N 0 0 427.972 5.802 50 0 IKAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000012777710 523073932 /nfs/dbraw/zinc/07/39/32/523073932.db2.gz QTFSMSYEKYDABB-UHFFFAOYSA-N 0 0 445.494 5.512 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OCC(=O)c4ccc(Cl)cc4)ccc3oc2=O)cc1 ZINC000011866226 523075845 /nfs/dbraw/zinc/07/58/45/523075845.db2.gz MKCXRVBMWKBMRX-UHFFFAOYSA-N 0 0 434.875 5.692 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021936741 523079046 /nfs/dbraw/zinc/07/90/46/523079046.db2.gz DPFDWCFGUUQLOA-LEWJYISDSA-N 0 0 448.592 5.150 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)c3ccccc3F)n2)cc1 ZINC000021525637 523084096 /nfs/dbraw/zinc/08/40/96/523084096.db2.gz GYPOWXZWBBOWCT-UHFFFAOYSA-N 0 0 433.870 5.864 50 0 IKAARN CC(=O)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Sc1ccc(C)cc1 ZINC000002923140 534683223 /nfs/dbraw/zinc/68/32/23/534683223.db2.gz DKCMMKZRXOXYCI-UHFFFAOYSA-N 0 0 445.588 5.067 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3ccc(C)c(C)c3)n2)cc1 ZINC000021659357 523086298 /nfs/dbraw/zinc/08/62/98/523086298.db2.gz DYOMUOAZJNMPJO-UHFFFAOYSA-N 0 0 438.531 5.487 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(C[C@H](C)c3ccccc3)CO2)cc1 ZINC000020610334 523090332 /nfs/dbraw/zinc/09/03/32/523090332.db2.gz WKMULFHPVVXFFW-SFHVURJKSA-N 0 0 427.500 5.424 50 0 biogenic IKAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1S[C@H](C)C(=O)NC1CCCCC1 ZINC000012799708 523104094 /nfs/dbraw/zinc/10/40/94/523104094.db2.gz CIYYAEBTVHJYJF-OAHLLOKOSA-N 0 0 441.622 5.074 50 0 IKAARN CCn1c(=O)c2cc(C(=O)N(C)c3cccc(C(F)(F)F)c3)sc2c2ccccc21 ZINC000020286327 523106356 /nfs/dbraw/zinc/10/63/56/523106356.db2.gz IUZHLFVETBSBHW-UHFFFAOYSA-N 0 0 430.451 5.532 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4C)c3n2)cc1 ZINC000020605597 523106646 /nfs/dbraw/zinc/10/66/46/523106646.db2.gz OMQLMCHYRFMNOY-UHFFFAOYSA-N 0 0 439.487 5.673 50 0 IKAARN COc1ccc(-c2cc(COC(=O)C3c4ccccc4Oc4ccccc43)no2)cc1OC ZINC000012726872 523108180 /nfs/dbraw/zinc/10/81/80/523108180.db2.gz JNARXXLPUAUFEE-UHFFFAOYSA-N 0 0 443.455 5.340 50 0 IKAARN COc1ccc(-c2cc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1OC ZINC000012638947 523108204 /nfs/dbraw/zinc/10/82/04/523108204.db2.gz BQYYMYAQTRFDRQ-UHFFFAOYSA-N 0 0 440.927 5.140 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc(F)cc3)no2)c(OC)c1 ZINC000036001802 523108972 /nfs/dbraw/zinc/10/89/72/523108972.db2.gz GTBRJGHXAKRPST-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccccc3SC[C@H]3CCCO3)ccc2OC)cc1 ZINC000012589506 523114721 /nfs/dbraw/zinc/11/47/21/523114721.db2.gz NEDNYNUSXNGYKK-OAQYLSRUSA-N 0 0 449.572 5.894 50 0 IKAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccccc3Cl)n2)cc1OC ZINC000022023058 523120911 /nfs/dbraw/zinc/12/09/11/523120911.db2.gz AZDHAVHIASQKRS-UHFFFAOYSA-N 0 0 435.907 6.257 50 0 IKAARN COc1ccc(-c2ccc(C(=O)N(Cc3ccc(OCC4CCC4)cc3)C3CC3)o2)cc1 ZINC000012325622 523130373 /nfs/dbraw/zinc/13/03/73/523130373.db2.gz VAPBDSZYXNONDJ-UHFFFAOYSA-N 0 0 431.532 5.939 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)sc3n2)cc1 ZINC000012249705 523137509 /nfs/dbraw/zinc/13/75/09/523137509.db2.gz MDERKCAGUJOUIN-UHFFFAOYSA-N 0 0 429.328 6.092 50 0 IKAARN COc1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)CCc4ccccc4)nc3c2)cc1 ZINC000034907909 523139711 /nfs/dbraw/zinc/13/97/11/523139711.db2.gz FTDLKJQAYMMBJZ-XMMPIXPASA-N 0 0 426.516 5.800 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)N4c5ccc(F)cc5CC[C@H]4C)csc3n2)cc1 ZINC000020555535 523144554 /nfs/dbraw/zinc/14/45/54/523144554.db2.gz UTSFRYJXQZJNFR-OAHLLOKOSA-N 0 0 435.524 5.121 50 0 IKAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000016959550 523146350 /nfs/dbraw/zinc/14/63/50/523146350.db2.gz VFURJLXSMFPSTF-UHFFFAOYSA-N 0 0 448.482 5.281 50 0 IKAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000020744349 523153194 /nfs/dbraw/zinc/15/31/94/523153194.db2.gz SQXNVNYBFUXNMH-KRWDZBQOSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000020662399 523157521 /nfs/dbraw/zinc/15/75/21/523157521.db2.gz ACJULYNXDWANDK-UHFFFAOYSA-N 0 0 438.409 5.214 50 0 IKAARN COc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000016957199 523158633 /nfs/dbraw/zinc/15/86/33/523158633.db2.gz IAPMIUOXAHYDCU-BYCLXTJYSA-N 0 0 431.605 6.183 50 0 IKAARN COc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5Cl)CC4)c23)cc1 ZINC000012634831 523172788 /nfs/dbraw/zinc/17/27/88/523172788.db2.gz CQVBKWSQOMDHSP-UHFFFAOYSA-N 0 0 436.968 5.347 50 0 IKAARN CCn1c(CCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc2ccccc21 ZINC000021664266 523184079 /nfs/dbraw/zinc/18/40/79/523184079.db2.gz DIQDBSMTXPODBI-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000012886483 523193096 /nfs/dbraw/zinc/19/30/96/523193096.db2.gz QFMXFIRLVNOTIR-HXUWFJFHSA-N 0 0 426.925 5.062 50 0 IKAARN COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)co2)cc1 ZINC000022842519 523198469 /nfs/dbraw/zinc/19/84/69/523198469.db2.gz LFAZUIBUSKLLKS-UHFFFAOYSA-N 0 0 434.517 5.054 50 0 IKAARN COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)co2)cc1 ZINC000022841468 523198859 /nfs/dbraw/zinc/19/88/59/523198859.db2.gz DQRSXLHHBCPSBC-UHFFFAOYSA-N 0 0 434.517 5.054 50 0 IKAARN COc1ccc(-c2nc(CN3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)c(OC)c1C ZINC000012316614 523201643 /nfs/dbraw/zinc/20/16/43/523201643.db2.gz UMJVYNARXBJAMY-QFIPXVFZSA-N 0 0 446.551 5.579 50 0 IKAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000015832712 523206922 /nfs/dbraw/zinc/20/69/22/523206922.db2.gz IGDRGLKCAXWWRE-HNNXBMFYSA-N 0 0 430.957 5.173 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3C)cc21 ZINC000033129223 523217841 /nfs/dbraw/zinc/21/78/41/523217841.db2.gz NMVKDLFSIIGATC-UHFFFAOYSA-N 0 0 441.487 5.406 50 0 IKAARN COc1ccc(-c2nc(NC3CCCCC3)nc3nn(Cc4ccccc4)c(N)c32)c(F)c1 ZINC000035929020 523221425 /nfs/dbraw/zinc/22/14/25/523221425.db2.gz NPBPDOXQASVBJW-UHFFFAOYSA-N 0 0 446.530 5.016 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278121 523223359 /nfs/dbraw/zinc/22/33/59/523223359.db2.gz OBLNHWVRHKCUNH-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1C ZINC000012789611 523226402 /nfs/dbraw/zinc/22/64/02/523226402.db2.gz HNBJIGXGNYAZRN-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN COc1ccc(-c2nc3cc(F)ccc3n2C2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000012242472 523229682 /nfs/dbraw/zinc/22/96/82/523229682.db2.gz OJKIWFFQOOFSGR-UHFFFAOYSA-N 0 0 439.531 5.069 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000012382363 523233024 /nfs/dbraw/zinc/23/30/24/523233024.db2.gz HERYJPSRINVSKI-UHFFFAOYSA-N 0 0 432.545 6.259 50 0 IKAARN CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000012582823 523234583 /nfs/dbraw/zinc/23/45/83/523234583.db2.gz OMUSHHHUEYXPEP-KPKJPENVSA-N 0 0 437.952 5.300 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017103129 523239297 /nfs/dbraw/zinc/23/92/97/523239297.db2.gz FLQIGVRBKOTPAH-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN CCn1c(SCc2cc(Br)ccc2OC)nnc1-c1cccc(OC)c1 ZINC000012810768 523240801 /nfs/dbraw/zinc/24/08/01/523240801.db2.gz OWWUGYAMIBZDCT-UHFFFAOYSA-N 0 0 434.359 5.037 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Oc2ccc3ccccc3c2)cc1 ZINC000012377811 523241618 /nfs/dbraw/zinc/24/16/18/523241618.db2.gz ZTKUUVRMQDUQRE-JXAWBTAJSA-N 0 0 446.506 6.320 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000001176330 523242440 /nfs/dbraw/zinc/24/24/40/523242440.db2.gz SWZAVYMWDDWJAV-UHFFFAOYSA-N 0 0 438.314 6.107 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2c2nonc2C)cc1F ZINC000020534701 523245067 /nfs/dbraw/zinc/24/50/67/523245067.db2.gz VHMUNXQGAXKXJM-QFIPXVFZSA-N 0 0 447.514 5.024 50 0 IKAARN COc1ccc(-c2nn(C)c3sc(C(=O)Nc4ccc(C(C)C)cc4)cc23)cc1OC ZINC000020233646 523245301 /nfs/dbraw/zinc/24/53/01/523245301.db2.gz QLTIIARCYPUFAG-UHFFFAOYSA-N 0 0 435.549 5.695 50 0 IKAARN COCc1nn2c(ncc3c2C[C@H](c2ccc(OC)cc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000012409808 523245891 /nfs/dbraw/zinc/24/58/91/523245891.db2.gz CLPWOJAMQSNCPI-KRWDZBQOSA-N 0 0 447.922 5.117 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccc4Cl)n3)o2)cc1 ZINC000035560745 523251661 /nfs/dbraw/zinc/25/16/61/523251661.db2.gz WCKNGAVKZVJSFH-UHFFFAOYSA-N 0 0 443.894 5.621 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)cc1 ZINC000012628667 523258213 /nfs/dbraw/zinc/25/82/13/523258213.db2.gz OPDIMNHUFVHVJB-UHFFFAOYSA-N 0 0 442.629 5.077 50 0 IKAARN CN(Cc1ccc(F)cc1F)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012861161 523260237 /nfs/dbraw/zinc/26/02/37/523260237.db2.gz GTNXFDWBZIIGKT-IBGZPJMESA-N 0 0 425.504 5.481 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(C(=O)Nc4ccccc4)cc3)o2)c(OC)c1 ZINC000012700543 523261338 /nfs/dbraw/zinc/26/13/38/523261338.db2.gz VYIAYAYHEAWQAG-UHFFFAOYSA-N 0 0 447.516 5.298 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)o2)cc1 ZINC000012615428 523264605 /nfs/dbraw/zinc/26/46/05/523264605.db2.gz WQTKZWIYVXGSBF-NRFANRHFSA-N 0 0 447.516 5.226 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)n2CC(C)C)cc1 ZINC000009799428 523265704 /nfs/dbraw/zinc/26/57/04/523265704.db2.gz IGXWCVBTASJCFG-AWEZNQCLSA-N 0 0 441.582 5.575 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 ZINC000035847881 523265781 /nfs/dbraw/zinc/26/57/81/523265781.db2.gz JYGIJQFDACSAML-UHFFFAOYSA-N 0 0 441.478 6.254 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccs1 ZINC000036031999 523265999 /nfs/dbraw/zinc/26/59/99/523265999.db2.gz MLJJWGRUFDHXIV-UHFFFAOYSA-N 0 0 436.986 5.116 50 0 IKAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012691887 523269887 /nfs/dbraw/zinc/26/98/87/523269887.db2.gz JXMAJGQQHGOOEH-UHFFFAOYSA-N 0 0 439.487 5.474 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3Cl)n2)cc1 ZINC000022460824 523277191 /nfs/dbraw/zinc/27/71/91/523277191.db2.gz MDDMOAPBJXTFDF-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)cc1 ZINC000012382431 523284038 /nfs/dbraw/zinc/28/40/38/523284038.db2.gz RVYFVNRBSJWBMU-UHFFFAOYSA-N 0 0 441.531 5.314 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3C)C3CCCCC3)n2)cc1OC ZINC000012843412 523284518 /nfs/dbraw/zinc/28/45/18/523284518.db2.gz FSFRCZJNHOXGMK-UHFFFAOYSA-N 0 0 449.551 5.346 50 0 IKAARN CCn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021664264 523285679 /nfs/dbraw/zinc/28/56/79/523285679.db2.gz VQDKUVMKBJVZJM-UHFFFAOYSA-N 0 0 439.968 5.296 50 0 IKAARN CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012888631 523304707 /nfs/dbraw/zinc/30/47/07/523304707.db2.gz BXOCWMCKQRJURZ-UHFFFAOYSA-N 0 0 439.770 5.158 50 0 IKAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012866371 523305839 /nfs/dbraw/zinc/30/58/39/523305839.db2.gz RNAAALVEBWAZFT-UHFFFAOYSA-N 0 0 438.314 5.983 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000016035689 523323986 /nfs/dbraw/zinc/32/39/86/523323986.db2.gz HOAIZHUTBPURGG-UHFFFAOYSA-N 0 0 437.952 5.727 50 0 IKAARN CCn1cc(C(=O)CSc2nnc(COc3c(C)cccc3C)n2CC)c2ccccc21 ZINC000057291698 523324328 /nfs/dbraw/zinc/32/43/28/523324328.db2.gz QAUIUTYBIDLLGC-UHFFFAOYSA-N 0 0 448.592 5.443 50 0 IKAARN CCn1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000011843479 523333737 /nfs/dbraw/zinc/33/37/37/523333737.db2.gz ASYLOQYZQDBFRL-JOCHJYFZSA-N 0 0 438.453 5.191 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000034760900 523337175 /nfs/dbraw/zinc/33/71/75/523337175.db2.gz PWATWNYNOXEDMH-KQWNVCNZSA-N 0 0 442.540 5.195 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccccc3)c2Oc2ccccc2)cc1 ZINC000034672279 523345684 /nfs/dbraw/zinc/34/56/84/523345684.db2.gz KZZJGOHEBLSZEE-UHFFFAOYSA-N 0 0 427.504 5.553 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(Cl)c(Cl)c2)cc3C(F)F)cc1 ZINC000020604208 523345930 /nfs/dbraw/zinc/34/59/30/523345930.db2.gz XMBMBWCNUDUQIA-UHFFFAOYSA-N 0 0 434.273 6.649 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(C)s2)cc3C(F)(F)F)cc1 ZINC000020615455 523347256 /nfs/dbraw/zinc/34/72/56/523347256.db2.gz FNVOXMHSVUHBGZ-UHFFFAOYSA-N 0 0 429.467 6.362 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccccc2[C@@](O)(Cc2ccccc2)c2ccccc2)cc1 ZINC000012339679 523396159 /nfs/dbraw/zinc/39/61/59/523396159.db2.gz XUNFVHKOHFLGEK-XKGZIDFWSA-N 0 0 449.550 5.826 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2cc(-c3cc4ccccc4oc3=O)ccc2OC)cc1 ZINC000012296662 523397023 /nfs/dbraw/zinc/39/70/23/523397023.db2.gz CRSYWWUWELZPEN-NTEUORMPSA-N 0 0 427.456 5.129 50 0 biogenic IKAARN COc1ccc(/C=C/C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 ZINC000001859683 523397400 /nfs/dbraw/zinc/39/74/00/523397400.db2.gz VLJQSZUEKTUVQS-JXMROGBWSA-N 0 0 439.298 6.462 50 0 IKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c(OC)c1OC ZINC000012766125 523409353 /nfs/dbraw/zinc/40/93/53/523409353.db2.gz RIPWETMVWVNGJC-OQLLNIDSSA-N 0 0 448.906 5.235 50 0 IKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC4=CCCCC4)cc3NC2=O)cc1 ZINC000020734190 523413446 /nfs/dbraw/zinc/41/34/46/523413446.db2.gz NUBSEUYXPRQAGU-HZHRSRAPSA-N 0 0 434.561 5.401 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(C2CCCCC2)C1=O ZINC000035883607 523420722 /nfs/dbraw/zinc/42/07/22/523420722.db2.gz QPVGZVHSYSZDCF-OAQYLSRUSA-N 0 0 426.944 5.425 50 0 IKAARN COc1ccc(/C=C\c2ccc3cccc(OCc4ccccc4)c3n2)cc1OC(C)=O ZINC000033677220 523435458 /nfs/dbraw/zinc/43/54/58/523435458.db2.gz DGMFNWGNFOKJKD-KAMYIIQDSA-N 0 0 425.484 5.918 50 0 IKAARN CCn1cc([C@H](CC(=O)NCc2ccc(F)cc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872258 523477534 /nfs/dbraw/zinc/47/75/34/523477534.db2.gz ANQDKAZOYAIMMQ-JOCHJYFZSA-N 0 0 444.506 5.367 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@@H](C)c2ccccc2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035872102 523477889 /nfs/dbraw/zinc/47/78/89/523477889.db2.gz IDMHUGFHXOFBBQ-YADARESESA-N 0 0 430.979 6.714 50 0 IKAARN COc1ccc(Br)cc1C1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000020615987 523493362 /nfs/dbraw/zinc/49/33/62/523493362.db2.gz LKGSARXNLSFTCA-AUWJEWJLSA-N 0 0 427.081 5.109 50 0 IKAARN CCn1ccnc1SCC(=O)N(Cc1cccc(OC)c1)C12CC3CC(CC(C3)C1)C2 ZINC000012646461 523549306 /nfs/dbraw/zinc/54/93/06/523549306.db2.gz OWGHQLYHQNLPBK-UHFFFAOYSA-N 0 0 439.625 5.001 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2C)cc1 ZINC000035848016 523591809 /nfs/dbraw/zinc/59/18/09/523591809.db2.gz OOMACRVISIFJGU-UHFFFAOYSA-N 0 0 429.545 5.150 50 0 IKAARN CCn1nc(C(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902077 523610031 /nfs/dbraw/zinc/61/00/31/523610031.db2.gz QRICUEGJUXATQW-NRFANRHFSA-N 0 0 444.623 5.387 50 0 IKAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccc(C)o2)Cc2ccccc2)C(C)(C)C)cc1 ZINC000035764660 523610014 /nfs/dbraw/zinc/61/00/14/523610014.db2.gz UGMYVESKTFWOOT-UHFFFAOYSA-N 0 0 448.563 5.066 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)Cc2ccccc2)cc1 ZINC000036011972 523612323 /nfs/dbraw/zinc/61/23/23/523612323.db2.gz AGZOFCLDSGRNCM-UHFFFAOYSA-N 0 0 426.516 5.810 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)cc(C)c3s2)cc1OC ZINC000015881808 523615820 /nfs/dbraw/zinc/61/58/20/523615820.db2.gz KSZQNHRASRBZHV-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN COc1ccc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccc(C)cc2)c(OC)c1 ZINC000023455620 523615913 /nfs/dbraw/zinc/61/59/13/523615913.db2.gz USLONETXLVZWAT-UHFFFAOYSA-N 0 0 430.504 5.304 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c(OC)c1 ZINC000015881816 523616074 /nfs/dbraw/zinc/61/60/74/523616074.db2.gz FBWCJFAKHKWBPF-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000021889993 523623978 /nfs/dbraw/zinc/62/39/78/523623978.db2.gz CDLBLEDJBSNPSP-GOSISDBHSA-N 0 0 425.916 5.647 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c2ccccc12 ZINC000012768956 523635695 /nfs/dbraw/zinc/63/56/95/523635695.db2.gz KJZCRTBHBBGQSK-QGZVFWFLSA-N 0 0 436.939 5.301 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1OC ZINC000021715499 523665635 /nfs/dbraw/zinc/66/56/35/523665635.db2.gz IFLVMJNUCPATOA-AREMUKBSSA-N 0 0 426.516 5.281 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000021779832 523665783 /nfs/dbraw/zinc/66/57/83/523665783.db2.gz ZSQWZVKMXMHFQU-RUZDIDTESA-N 0 0 430.479 5.112 50 0 IKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)c1C ZINC000020604361 523686917 /nfs/dbraw/zinc/68/69/17/523686917.db2.gz AKXPNASJXGCOIC-UHFFFAOYSA-N 0 0 441.457 5.517 50 0 IKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)NCCc4ccc(Cl)cc4)oc3ccc2O1 ZINC000020418223 523703684 /nfs/dbraw/zinc/70/36/84/523703684.db2.gz DSBBTDBHCHAQGG-DEOSSOPVSA-N 0 0 425.912 5.501 50 0 IKAARN CCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639813 523703833 /nfs/dbraw/zinc/70/38/33/523703833.db2.gz SHJHOGDTJOBUMX-UHFFFAOYSA-N 0 0 427.439 5.029 50 0 IKAARN CCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639823 523704793 /nfs/dbraw/zinc/70/47/93/523704793.db2.gz MWPWPXHJDRJNSI-UHFFFAOYSA-N 0 0 427.439 5.029 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)cc1C)[C@H]2c1ccc(OC)cc1 ZINC000021048303 523718184 /nfs/dbraw/zinc/71/81/84/523718184.db2.gz SZXRLJGAYIQCDT-DEOSSOPVSA-N 0 0 434.605 6.424 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@H]2c1ccccc1 ZINC000021045790 523718349 /nfs/dbraw/zinc/71/83/49/523718349.db2.gz GTXBSUDYMULIED-QHCPKHFHSA-N 0 0 442.987 5.998 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(OC)c(OC)c1)[C@@H]2c1ccccc1 ZINC000021047918 523718401 /nfs/dbraw/zinc/71/84/01/523718401.db2.gz NHOWKYWHAHTRRW-HSZRJFAPSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(C)cc1Cl)[C@@H]2c1ccccc1 ZINC000021045796 523718563 /nfs/dbraw/zinc/71/85/63/523718563.db2.gz PTVZLDOVJKWKDR-XMMPIXPASA-N 0 0 439.024 6.167 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(OC)ccc1OC)[C@@H]2c1ccccc1 ZINC000021047940 523718889 /nfs/dbraw/zinc/71/88/89/523718889.db2.gz FADJFLSZEWDFTJ-HSZRJFAPSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(CC)cc1)[C@@H]2c1ccc(OC)cc1 ZINC000021048189 523719195 /nfs/dbraw/zinc/71/91/95/523719195.db2.gz JKTLJEBSYALSPJ-XMMPIXPASA-N 0 0 434.605 6.370 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(OC)cc(OC)c1)[C@H]2c1ccccc1 ZINC000021048128 523719318 /nfs/dbraw/zinc/71/93/18/523719318.db2.gz PDQUYBSINOQLTC-QHCPKHFHSA-N 0 0 436.577 5.816 50 0 IKAARN COCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(C)c1)C(=O)c1ccco1 ZINC000012190246 523741540 /nfs/dbraw/zinc/74/15/40/523741540.db2.gz RZHBDRUIQXAJPI-UHFFFAOYSA-N 0 0 434.923 5.745 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)ccc2N2CCCN(Cc3ccccc3C)C2=O)cc1 ZINC000034735960 523743844 /nfs/dbraw/zinc/74/38/44/523743844.db2.gz LEWRBMCLWXPEBC-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN CCc1cc(=O)oc2cc(Oc3nc(CN4CCCC4)nc4sc(C)c(C)c43)ccc12 ZINC000012819209 523745170 /nfs/dbraw/zinc/74/51/70/523745170.db2.gz OPSVZSIJCZDNCD-UHFFFAOYSA-N 0 0 435.549 5.365 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1Cl ZINC000012855668 523748004 /nfs/dbraw/zinc/74/80/04/523748004.db2.gz RYWJPQMHCLNYIE-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)cc2)cc1 ZINC000035927998 523752753 /nfs/dbraw/zinc/75/27/53/523752753.db2.gz VYRMXSJIJSGDFZ-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)c(F)c3)cc2)cc1 ZINC000035928563 523752799 /nfs/dbraw/zinc/75/27/99/523752799.db2.gz GPSUXTXGVSTXFV-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc4c(c3)CCC4)cc2)cc1 ZINC000035925168 523753991 /nfs/dbraw/zinc/75/39/91/523753991.db2.gz UXRDGVWXUNDIBE-SANMLTNESA-N 0 0 444.556 5.215 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000035946272 523754773 /nfs/dbraw/zinc/75/47/73/523754773.db2.gz SPHLZEGKAVYGLW-VWLOTQADSA-N 0 0 449.639 5.670 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)cc1OC ZINC000009660242 523755637 /nfs/dbraw/zinc/75/56/37/523755637.db2.gz JYCMJZJKEKIIOZ-UHFFFAOYSA-N 0 0 443.499 5.853 50 0 biogenic IKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1OC ZINC000035326342 523783603 /nfs/dbraw/zinc/78/36/03/523783603.db2.gz WIIVQAYKJKKVGY-UHFFFAOYSA-N 0 0 445.544 5.068 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000012823342 523786405 /nfs/dbraw/zinc/78/64/05/523786405.db2.gz LHINXXLQTMBKPB-UHFFFAOYSA-N 0 0 447.362 6.526 50 0 IKAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000036028437 523788648 /nfs/dbraw/zinc/78/86/48/523788648.db2.gz VGYVAZZODGEVBA-UHFFFAOYSA-N 0 0 438.641 5.240 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000002621419 523792919 /nfs/dbraw/zinc/79/29/19/523792919.db2.gz HCRGFARIYYYFSM-UHFFFAOYSA-N 0 0 433.508 5.577 50 0 IKAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1 ZINC000036028455 523793700 /nfs/dbraw/zinc/79/37/00/523793700.db2.gz DQBLFHVQCWYWTB-UHFFFAOYSA-N 0 0 446.620 5.204 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C)cc1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532418 523799698 /nfs/dbraw/zinc/79/96/98/523799698.db2.gz MSTAPBKVPPICAI-OAQYLSRUSA-N 0 0 434.540 5.761 50 0 IKAARN COc1ccc(C)cc1-n1c(=O)c2c(C)c(C)sc2nc1SCc1c(C)noc1C ZINC000012566667 523800055 /nfs/dbraw/zinc/80/00/55/523800055.db2.gz QEYNXKHUDLSNMF-UHFFFAOYSA-N 0 0 441.578 5.278 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1 ZINC000035927279 523800281 /nfs/dbraw/zinc/80/02/81/523800281.db2.gz GZWPVKNORPGCTN-WIOPSUGQSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1 ZINC000035912182 523800615 /nfs/dbraw/zinc/80/06/15/523800615.db2.gz VGZCDXPOAWLNAB-NBGIEHNGSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1)c1ccccc1 ZINC000035928570 523800903 /nfs/dbraw/zinc/80/09/03/523800903.db2.gz PRETUWQYRIUSNZ-BKMJKUGQSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467041 523802714 /nfs/dbraw/zinc/80/27/14/523802714.db2.gz VPKIUQLSSHTIEW-MRXNPFEDSA-N 0 0 445.466 5.528 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C(=O)[C@@H](C)O2)c1ccccc1 ZINC000035883555 523803187 /nfs/dbraw/zinc/80/31/87/523803187.db2.gz ILEZDFDPBYSRRA-NLFFAJNJSA-N 0 0 442.559 5.171 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2C)c1)c1ccccc1 ZINC000035912222 523803942 /nfs/dbraw/zinc/80/39/42/523803942.db2.gz ZHZNGZUNQKBQIX-WNCULLNHSA-N 0 0 444.600 6.214 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)ccc2F)c1)c1ccccc1 ZINC000035928050 523804874 /nfs/dbraw/zinc/80/48/74/523804874.db2.gz FLYDNXHMHZAXCS-HFZDXXHNSA-N 0 0 448.563 6.045 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C)cc1 ZINC000021892879 523832867 /nfs/dbraw/zinc/83/28/67/523832867.db2.gz VFJOCXHQSLXTIW-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN CN(C(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1)C1CCCCCC1 ZINC000012762442 523838953 /nfs/dbraw/zinc/83/89/53/523838953.db2.gz UHCZYSOMWZTBDB-UHFFFAOYSA-N 0 0 447.651 5.128 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476927 523843393 /nfs/dbraw/zinc/84/33/93/523843393.db2.gz DFWTYXJPZLYOMH-QFIPXVFZSA-N 0 0 433.602 6.529 50 0 IKAARN CCc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476999 523844271 /nfs/dbraw/zinc/84/42/71/523844271.db2.gz NAKWSLWQHBFXBV-QHCPKHFHSA-N 0 0 442.588 6.171 50 0 IKAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC(C)C)C3=O)s1 ZINC000015673064 523847451 /nfs/dbraw/zinc/84/74/51/523847451.db2.gz KKXKKSMDLRERHQ-VWLOTQADSA-N 0 0 443.657 5.365 50 0 IKAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000020984772 523854362 /nfs/dbraw/zinc/85/43/62/523854362.db2.gz SONNIWMPIQMYKG-OAHLLOKOSA-N 0 0 428.579 5.150 50 0 IKAARN CCc1ccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)cc1 ZINC000033021994 523857044 /nfs/dbraw/zinc/85/70/44/523857044.db2.gz MCZLUBKSCOJJPG-UHFFFAOYSA-N 0 0 442.466 6.067 50 0 IKAARN CCc1ccc(-c2nc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)n[nH]2)cc1 ZINC000012885288 523859749 /nfs/dbraw/zinc/85/97/49/523859749.db2.gz JLTFYJWIPQEFCZ-UHFFFAOYSA-N 0 0 442.588 5.374 50 0 IKAARN COc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)c(Br)c1 ZINC000020616076 523874378 /nfs/dbraw/zinc/87/43/78/523874378.db2.gz QLYJMPSEDAUHDQ-UUASQNMZSA-N 0 0 427.081 5.109 50 0 IKAARN COc1ccc(C2=NCC(=O)N(Cc3nc(-c4ccccc4)oc3C)c3sccc32)cc1 ZINC000021021578 523875874 /nfs/dbraw/zinc/87/58/74/523875874.db2.gz IJSALHCFRWGRBP-UHFFFAOYSA-N 0 0 443.528 5.104 50 0 IKAARN CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020285623 523877171 /nfs/dbraw/zinc/87/71/71/523877171.db2.gz FASQRAYEHQBWDQ-LCUIJRPUSA-N 0 0 437.948 6.022 50 0 IKAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2CC)cc1 ZINC000020616975 523877182 /nfs/dbraw/zinc/87/71/82/523877182.db2.gz GMFWWMJGDANHRP-OHYPFYFLSA-N 0 0 441.531 5.238 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C2CCCCC2)cc1OC ZINC000035175209 523879519 /nfs/dbraw/zinc/87/95/19/523879519.db2.gz QKDUEKXZCOGSAB-HYBUGGRVSA-N 0 0 426.944 5.807 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000012321036 523880213 /nfs/dbraw/zinc/88/02/13/523880213.db2.gz FYVSKJMOXGOXNM-FYYLOGMGSA-N 0 0 443.305 6.383 50 0 IKAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)CC(C)C)C2)cc1 ZINC000035944431 523881177 /nfs/dbraw/zinc/88/11/77/523881177.db2.gz RFUWYRKGWNPKME-NRFANRHFSA-N 0 0 448.485 5.282 50 0 IKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000020851058 523882801 /nfs/dbraw/zinc/88/28/01/523882801.db2.gz LSBOETSBXIKSRH-QFIPXVFZSA-N 0 0 436.964 6.281 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccc(C)cc4)c3)C2)cc1 ZINC000033034823 523884603 /nfs/dbraw/zinc/88/46/03/523884603.db2.gz LHZYMCVDHNIDIQ-HHHXNRCGSA-N 0 0 440.587 5.507 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(OC)cc4)ccc3o2)cc1 ZINC000034907925 523885262 /nfs/dbraw/zinc/88/52/62/523885262.db2.gz NNTIIXINTYOJBO-DEOSSOPVSA-N 0 0 426.516 6.043 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)c2)cc1 ZINC000035928071 523896094 /nfs/dbraw/zinc/89/60/94/523896094.db2.gz FUEARTZNVYREDJ-VWLOTQADSA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927591 523897296 /nfs/dbraw/zinc/89/72/96/523897296.db2.gz VXPBKMOJYTZCHO-HHHXNRCGSA-N 0 0 444.600 6.403 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccc(C)cc2C)cc1 ZINC000035912209 523897338 /nfs/dbraw/zinc/89/73/38/523897338.db2.gz KHESBLRXPVZSGW-SANMLTNESA-N 0 0 430.573 5.897 50 0 IKAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1Cl ZINC000021166706 523924982 /nfs/dbraw/zinc/92/49/82/523924982.db2.gz CWLYAWBNGXUYRX-UHFFFAOYSA-N 0 0 438.357 5.286 50 0 IKAARN CCc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c2)cc1 ZINC000033034984 523939844 /nfs/dbraw/zinc/93/98/44/523939844.db2.gz KMMJZFBXHUNWSD-MHZLTWQESA-N 0 0 440.587 5.507 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C(C)C ZINC000035976827 523940319 /nfs/dbraw/zinc/94/03/19/523940319.db2.gz BLLJWECNYIPIHZ-IBGZPJMESA-N 0 0 435.568 5.765 50 0 IKAARN CC[C@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(C)cc1 ZINC000035972116 523941233 /nfs/dbraw/zinc/94/12/33/523941233.db2.gz LELKFKZEQKENGE-NRFANRHFSA-N 0 0 432.612 5.811 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000035943872 523942192 /nfs/dbraw/zinc/94/21/92/523942192.db2.gz JLUKYODFSWGTRY-IBGZPJMESA-N 0 0 439.600 5.187 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000022576853 523953214 /nfs/dbraw/zinc/95/32/14/523953214.db2.gz YCBDVYHRQAEFJX-UHFFFAOYSA-N 0 0 434.914 5.234 50 0 IKAARN CCc1ccc(Cn2c3nnc(SCc4ccccc4)n3c3ccsc3c2=O)cc1 ZINC000035529650 523954363 /nfs/dbraw/zinc/95/43/63/523954363.db2.gz MNYSVGDKLZWMRY-UHFFFAOYSA-N 0 0 432.574 5.009 50 0 IKAARN CCc1ccc(N(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)c2nc3ccccc3s2)cc1 ZINC000012740315 523954992 /nfs/dbraw/zinc/95/49/92/523954992.db2.gz DNSYTNLYZJOBEL-UHFFFAOYSA-N 0 0 449.620 5.808 50 0 IKAARN CCc1ccc(N(C(=O)CCc2nc(-c3ccco3)no2)c2nc3ccccc3s2)cc1 ZINC000012789162 523955184 /nfs/dbraw/zinc/95/51/84/523955184.db2.gz GJLJCMQMHSYOCU-UHFFFAOYSA-N 0 0 444.516 5.799 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035912452 523961451 /nfs/dbraw/zinc/96/14/51/523961451.db2.gz YQQMBVPKDKGFMO-XMMPIXPASA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000035912409 523961555 /nfs/dbraw/zinc/96/15/55/523961555.db2.gz HIPJXUIJGPXOTG-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000021911677 523962776 /nfs/dbraw/zinc/96/27/76/523962776.db2.gz NTLNHRSBIXJPQF-XMMPIXPASA-N 0 0 449.620 5.083 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3ccsc3n2[C@@H](C)c2ccccc2)cc1OC ZINC000035843904 523968872 /nfs/dbraw/zinc/96/88/72/523968872.db2.gz ZDEKDRKXADYPRL-KRWDZBQOSA-N 0 0 434.561 5.302 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3ccsc3n2Cc2ccc(C)cc2)cc1OC ZINC000035843822 523969305 /nfs/dbraw/zinc/96/93/05/523969305.db2.gz GLDCKEQMSGUOHU-UHFFFAOYSA-N 0 0 434.561 5.049 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3cc(Oc4cccc(C)c4)ccc3[nH]2)cc1OC ZINC000009892511 523969464 /nfs/dbraw/zinc/96/94/64/523969464.db2.gz BKUIVNLMEYCFPW-UHFFFAOYSA-N 0 0 430.504 5.258 50 0 IKAARN CCc1ccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013145786 523970029 /nfs/dbraw/zinc/97/00/29/523970029.db2.gz COUOVRDBUGHTMD-UHFFFAOYSA-N 0 0 436.577 5.090 50 0 IKAARN COc1ccc(CCNC(=O)c2cn3cc(-c4cccc(C(F)(F)F)c4)ccc3n2)cc1 ZINC000034831029 523971722 /nfs/dbraw/zinc/97/17/22/523971722.db2.gz PUKKUDSZNMGYMU-UHFFFAOYSA-N 0 0 439.437 5.001 50 0 IKAARN CCc1ccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1 ZINC000012140478 523974494 /nfs/dbraw/zinc/97/44/94/523974494.db2.gz WIONJHOHTIKPHJ-UHFFFAOYSA-N 0 0 428.355 5.199 50 0 IKAARN CC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000033437707 523975679 /nfs/dbraw/zinc/97/56/79/523975679.db2.gz PXOFLVJDYUOHCP-LVXARBLLSA-N 0 0 442.578 6.574 50 0 IKAARN CC[C@H](C)NC(=O)C[C@@H](c1cn(CC)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000035872196 523975962 /nfs/dbraw/zinc/97/59/62/523975962.db2.gz XGJSZSNEXYKIQD-HFZDXXHNSA-N 0 0 440.587 6.890 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccc(F)cc2)CCCC4)cc1 ZINC000021048424 523982980 /nfs/dbraw/zinc/98/29/80/523982980.db2.gz IDMGSJORSIAZQH-XMMPIXPASA-N 0 0 434.580 6.508 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000021536456 523983648 /nfs/dbraw/zinc/98/36/48/523983648.db2.gz CYJLTZFUFHJGCI-AREMUKBSSA-N 0 0 443.497 6.455 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000021536107 523983730 /nfs/dbraw/zinc/98/37/30/523983730.db2.gz TYRJENAOMHRJNG-AREMUKBSSA-N 0 0 425.507 6.316 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000041089686 523986960 /nfs/dbraw/zinc/98/69/60/523986960.db2.gz DGYZYLXLSYNOOE-UHFFFAOYSA-N 0 0 434.521 5.095 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](CC)n2cnc3scc(-c4ccc(CC)cc4)c3c2=O)cc1 ZINC000016895675 523987964 /nfs/dbraw/zinc/98/79/64/523987964.db2.gz FNJOAPRGMUDLDD-JOCHJYFZSA-N 0 0 445.588 5.840 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)cc1 ZINC000020939291 523992611 /nfs/dbraw/zinc/99/26/11/523992611.db2.gz BILAPBFQAJWLIY-UHFFFAOYSA-N 0 0 446.576 5.657 50 0 IKAARN CCc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1 ZINC000011916314 523993094 /nfs/dbraw/zinc/99/30/94/523993094.db2.gz CQJUKARPTHKJIO-UHFFFAOYSA-N 0 0 446.345 5.485 50 0 IKAARN CC[C@H](C)NC(=O)c1cc(NC(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCCC1 ZINC000035709599 523997100 /nfs/dbraw/zinc/99/71/00/523997100.db2.gz JZDVGDYAASEXJO-AWEZNQCLSA-N 0 0 432.927 5.252 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)S2 ZINC000020180501 523999098 /nfs/dbraw/zinc/99/90/98/523999098.db2.gz SZQDGNFTCWLRKX-JFENUBAZSA-N 0 0 434.483 5.343 50 0 IKAARN COc1ccc(CN(C)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1OC ZINC000012917977 523999727 /nfs/dbraw/zinc/99/97/27/523999727.db2.gz GKBOSWOQULFOSM-UHFFFAOYSA-N 0 0 431.488 5.301 50 0 IKAARN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2-c2ccccn2)cc1 ZINC000041156010 524004249 /nfs/dbraw/zinc/00/42/49/524004249.db2.gz CGIVOLNTRCPHHX-UHFFFAOYSA-N 0 0 432.911 5.168 50 0 IKAARN COc1ccc(CN(C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)c2cccnc12 ZINC000012204571 524008033 /nfs/dbraw/zinc/00/80/33/524008033.db2.gz RHIUYUAXEJRHHD-UHFFFAOYSA-N 0 0 441.453 5.858 50 0 IKAARN CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 ZINC000009647771 524014366 /nfs/dbraw/zinc/01/43/66/524014366.db2.gz RVJTVNDESUUXMA-JOCHJYFZSA-N 0 0 446.551 5.054 50 0 IKAARN COc1ccc(CN(Cc2nc(-c3ccccc3)oc2C)C(=O)Nc2ccccc2)cc1 ZINC000021020051 524015390 /nfs/dbraw/zinc/01/53/90/524015390.db2.gz VBZDMFZLJVULFV-UHFFFAOYSA-N 0 0 427.504 5.893 50 0 IKAARN COc1ccc(CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)c(F)c1 ZINC000014992864 524035908 /nfs/dbraw/zinc/03/59/08/524035908.db2.gz YPQLJRSXPBVXSM-UHFFFAOYSA-N 0 0 436.508 5.211 50 0 IKAARN CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000012848805 524040299 /nfs/dbraw/zinc/04/02/99/524040299.db2.gz HYOJTPLWOVFZPH-LEWJYISDSA-N 0 0 442.485 5.378 50 0 IKAARN CCc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986967 524040443 /nfs/dbraw/zinc/04/04/43/524040443.db2.gz BKNAYOXREYLBEC-HSZRJFAPSA-N 0 0 426.969 5.260 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021536690 524040968 /nfs/dbraw/zinc/04/09/68/524040968.db2.gz IXUNHUIYEXCDLJ-AREMUKBSSA-N 0 0 443.497 6.455 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000021893072 524040986 /nfs/dbraw/zinc/04/09/86/524040986.db2.gz WHHMARSOODFQCR-HHHXNRCGSA-N 0 0 439.534 6.624 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000021893066 524041165 /nfs/dbraw/zinc/04/11/65/524041165.db2.gz BSIHLEOOCZYAEL-MUUNZHRXSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021536671 524041202 /nfs/dbraw/zinc/04/12/02/524041202.db2.gz QUEOHDVALNFYAD-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(Cl)c1Cl ZINC000021902296 524043396 /nfs/dbraw/zinc/04/33/96/524043396.db2.gz DVIGBRAYRPVUQY-UHFFFAOYSA-N 0 0 438.229 5.055 50 0 IKAARN COc1ccc(CN2c3sc4c(c3C(=O)N[C@H]2c2ccccc2)CCCC4)cc1OC ZINC000021147850 524043821 /nfs/dbraw/zinc/04/38/21/524043821.db2.gz QLSAHNZCZNWLCS-HSZRJFAPSA-N 0 0 434.561 5.093 50 0 IKAARN CCc1ccc([C@H]2CN3C(=O)N(c4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012875743 524055904 /nfs/dbraw/zinc/05/59/04/524055904.db2.gz SFNMXDYNIOAOPP-DFHRPNOPSA-N 0 0 435.527 5.560 50 0 biogenic IKAARN COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000021656836 524056055 /nfs/dbraw/zinc/05/60/55/524056055.db2.gz NJRICJFPORDRGP-UHFFFAOYSA-N 0 0 437.952 5.257 50 0 IKAARN CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc1 ZINC000012847951 524056422 /nfs/dbraw/zinc/05/64/22/524056422.db2.gz SRUJEYYOENSBBW-MSOLQXFVSA-N 0 0 434.487 5.097 50 0 IKAARN CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 ZINC000012130193 524059395 /nfs/dbraw/zinc/05/93/95/524059395.db2.gz JYIWNOWFQQNUMD-RCZVLFRGSA-N 0 0 429.907 5.251 50 0 IKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)NC4CCCCC4)c3c2c1 ZINC000020996534 524060640 /nfs/dbraw/zinc/06/06/40/524060640.db2.gz TUBSDICKDDQTEH-UHFFFAOYSA-N 0 0 426.564 5.571 50 0 IKAARN CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)/C=C/c3ccccc3)c2c1 ZINC000012894572 524060950 /nfs/dbraw/zinc/06/09/50/524060950.db2.gz ZQDXPTPUKSKHDS-FYWRMAATSA-N 0 0 435.479 6.421 50 0 biogenic IKAARN CCc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4cccc(OC)c4)c3c2c1 ZINC000020996466 524060982 /nfs/dbraw/zinc/06/09/82/524060982.db2.gz GVOCIXZRPSTYHT-UHFFFAOYSA-N 0 0 436.515 5.461 50 0 IKAARN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(C3CCCCC3)cc2)c1 ZINC000035170972 524061740 /nfs/dbraw/zinc/06/17/40/524061740.db2.gz KSLKGDSOPJWCQU-XMMPIXPASA-N 0 0 441.575 6.100 50 0 IKAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000012424620 524062524 /nfs/dbraw/zinc/06/25/24/524062524.db2.gz GGRQFUXCUAHLLS-OAHLLOKOSA-N 0 0 435.574 5.164 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000021531224 524065916 /nfs/dbraw/zinc/06/59/16/524065916.db2.gz JCWSPZBFTGYWMZ-UHFFFAOYSA-N 0 0 432.549 5.349 50 0 IKAARN CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2ccc(Cl)cn21 ZINC000035606458 524066110 /nfs/dbraw/zinc/06/61/10/524066110.db2.gz CKABQDPHZYZJIW-UHFFFAOYSA-N 0 0 437.927 5.992 50 0 IKAARN CCc1cccc(C)c1Nc1c(-c2ccc(OC(F)(F)C(F)F)cc2)nc2ccccn21 ZINC000035606573 524066342 /nfs/dbraw/zinc/06/63/42/524066342.db2.gz XTLMIFOQFIEAGN-UHFFFAOYSA-N 0 0 443.444 6.852 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000035527243 524066588 /nfs/dbraw/zinc/06/65/88/524066588.db2.gz GADMIKMISHZXAD-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN CCc1cccc(CC)c1NC(=O)[C@H](CC)Sc1nnc(C)n2c3ccsc3cc12 ZINC000020510714 524069337 /nfs/dbraw/zinc/06/93/37/524069337.db2.gz QHVFOMGEWDPQNH-IBGZPJMESA-N 0 0 438.622 5.887 50 0 IKAARN CCc1cccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000015827245 524071366 /nfs/dbraw/zinc/07/13/66/524071366.db2.gz WKWQEBOMKKLCQG-UHFFFAOYSA-N 0 0 426.925 5.238 50 0 IKAARN CCc1cccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCCC(C)C)c1 ZINC000021911744 524071509 /nfs/dbraw/zinc/07/15/09/524071509.db2.gz ZCRPUQIWWYOOLI-DEOSSOPVSA-N 0 0 449.620 5.083 50 0 IKAARN CCc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902831 524071512 /nfs/dbraw/zinc/07/15/12/524071512.db2.gz NINMBUCFVGVJSD-HHHXNRCGSA-N 0 0 429.564 5.072 50 0 IKAARN Cc1ccc2oc(-c3ccc(/C=C\c4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1 ZINC000021986541 524086333 /nfs/dbraw/zinc/08/63/33/524086333.db2.gz SOTPOQQKAUOHRO-FPLPWBNLSA-N 0 0 428.491 7.782 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cccc(Cl)c4)n3)nc2c1 ZINC000021721407 524098380 /nfs/dbraw/zinc/09/83/80/524098380.db2.gz ZXAXLGPYPACEKJ-UHFFFAOYSA-N 0 0 428.901 5.036 50 0 IKAARN Cc1ccc2occ(CN(Cc3ccccc3)C(=O)c3cccc4ccccc43)c(=O)c2c1 ZINC000035829191 524099589 /nfs/dbraw/zinc/09/95/89/524099589.db2.gz UZQLGTDULOQOBI-UHFFFAOYSA-N 0 0 433.507 6.097 50 0 IKAARN COc1cccc([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476843 524101997 /nfs/dbraw/zinc/10/19/97/524101997.db2.gz NWYYVTXJSXUJHY-XMMPIXPASA-N 0 0 443.572 6.222 50 0 IKAARN Cc1cccc(-c2c3c4c(sc3nc(C)c2C(=O)Nc2ccccc2C)C[C@H](C)CC4)c1 ZINC000022388145 524105607 /nfs/dbraw/zinc/10/56/07/524105607.db2.gz UZRCLDRANBWGND-QGZVFWFLSA-N 0 0 440.612 7.266 50 0 IKAARN Cc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3sc4c(c32)CC[C@H](C)C4)c1 ZINC000015554644 524106263 /nfs/dbraw/zinc/10/62/63/524106263.db2.gz IVIQOFSNMZWABH-KRWDZBQOSA-N 0 0 447.625 6.467 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400288 524112824 /nfs/dbraw/zinc/11/28/24/524112824.db2.gz YOBQVXVZDZHCMA-UHFFFAOYSA-N 0 0 427.935 5.718 50 0 IKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)nc2)c1 ZINC000035514255 524113665 /nfs/dbraw/zinc/11/36/65/524113665.db2.gz BWJWBAFGZMAHHO-AREMUKBSSA-N 0 0 434.543 6.003 50 0 IKAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1OC ZINC000021728854 524114522 /nfs/dbraw/zinc/11/45/22/524114522.db2.gz WVZBSUYOIOYNPD-NRFANRHFSA-N 0 0 439.515 5.339 50 0 IKAARN COc1ccc(COc2ccc3c(c2)oc(C)c(-c2ccc(OC)c(OC)c2)c3=O)cc1 ZINC000001317139 524118824 /nfs/dbraw/zinc/11/88/24/524118824.db2.gz HDICEPYYCJCOKD-UHFFFAOYSA-N 0 0 432.472 5.373 50 0 biogenic IKAARN Cc1ccc(C)c(N2C(=O)CS[C@H]2c2ccccc2NC(=O)CCc2ccccc2)c1 ZINC000035910191 524119696 /nfs/dbraw/zinc/11/96/96/524119696.db2.gz IHUNVNWYWFWXJZ-SANMLTNESA-N 0 0 430.573 5.653 50 0 IKAARN Cc1ccc(C)c(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)CCc2ccccc2)c1 ZINC000035910192 524120204 /nfs/dbraw/zinc/12/02/04/524120204.db2.gz IHUNVNWYWFWXJZ-AREMUKBSSA-N 0 0 430.573 5.653 50 0 IKAARN Cc1cccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988717 524122941 /nfs/dbraw/zinc/12/29/41/524122941.db2.gz OZIMFIORGKERBV-FQEVSTJZSA-N 0 0 428.580 5.712 50 0 IKAARN Cc1cccc(-c2ncc(C(=O)NCc3ccc(F)cc3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988722 524122964 /nfs/dbraw/zinc/12/29/64/524122964.db2.gz JMWDDTQDZJIYPS-UHFFFAOYSA-N 0 0 432.543 5.290 50 0 IKAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(Cl)ccc2Cl)cc1 ZINC000035911027 524127115 /nfs/dbraw/zinc/12/71/15/524127115.db2.gz MPRJZJKDBHZDKO-UHFFFAOYSA-N 0 0 443.355 5.993 50 0 IKAARN Cc1cccc(-c2nnc([C@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)c1 ZINC000012600844 524127161 /nfs/dbraw/zinc/12/71/61/524127161.db2.gz AQHKIHRFLKSRRK-KBPBESRZSA-N 0 0 438.578 6.135 50 0 IKAARN COc1ccc(CSc2nnc(S[C@@H](C)C(=O)c3cc(C)ccc3C)s2)cc1 ZINC000022063172 524130600 /nfs/dbraw/zinc/13/06/00/524130600.db2.gz SELIGMUKWPBRMI-HNNXBMFYSA-N 0 0 430.620 5.819 50 0 IKAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4o3)no2)c1 ZINC000021721463 524133937 /nfs/dbraw/zinc/13/39/37/524133937.db2.gz JETGWPQTONQEMX-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 ZINC000012140477 524137436 /nfs/dbraw/zinc/13/74/36/524137436.db2.gz BSQZOHYRAOEXLB-UHFFFAOYSA-N 0 0 428.355 5.254 50 0 IKAARN Cc1ccc(C)c(NC(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1 ZINC000012639405 524137742 /nfs/dbraw/zinc/13/77/42/524137742.db2.gz IRQYJEXBOJZTDX-UHFFFAOYSA-N 0 0 429.472 5.424 50 0 IKAARN COc1ccc(C[C@@H](NC(=O)Cc2csc(-c3ccco3)n2)c2ccc(OC)cc2)cc1 ZINC000022965696 524140924 /nfs/dbraw/zinc/14/09/24/524140924.db2.gz FJTDFJOQJYSDEC-JOCHJYFZSA-N 0 0 448.544 5.063 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000020731124 524141230 /nfs/dbraw/zinc/14/12/30/524141230.db2.gz LVVDXTGRKMFDRK-QRWLVFNGSA-N 0 0 427.470 6.306 50 0 IKAARN Cc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)CC(C)C)c1 ZINC000036049562 524141606 /nfs/dbraw/zinc/14/16/06/524141606.db2.gz YBYYAVNBDVFRJQ-UHFFFAOYSA-N 0 0 444.579 5.071 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)c1 ZINC000021536476 524146753 /nfs/dbraw/zinc/14/67/53/524146753.db2.gz SYGNYRCSPAYFMO-SANMLTNESA-N 0 0 443.497 6.509 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000021888660 524147081 /nfs/dbraw/zinc/14/70/81/524147081.db2.gz ZSNQTXXHEANKDR-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000021893578 524147913 /nfs/dbraw/zinc/14/79/13/524147913.db2.gz KPPVGTVBJJBVLL-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 ZINC000012569271 524153574 /nfs/dbraw/zinc/15/35/74/524153574.db2.gz DRYHETIXUDABGI-DEOSSOPVSA-N 0 0 442.588 5.495 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2-c2cccc(C)c2C)c2ccccc2)c1 ZINC000012800317 524154012 /nfs/dbraw/zinc/15/40/12/524154012.db2.gz QKXNLIOCEVAIJW-QHCPKHFHSA-N 0 0 443.576 5.368 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000017099440 524155777 /nfs/dbraw/zinc/15/57/77/524155777.db2.gz XAJZBLXNXWVOPL-UHFFFAOYSA-N 0 0 435.354 7.386 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 ZINC000012569272 524157199 /nfs/dbraw/zinc/15/71/99/524157199.db2.gz DRYHETIXUDABGI-XMMPIXPASA-N 0 0 442.588 5.495 50 0 IKAARN COc1cccc([C@H](CC(=O)Nc2ccc(C)c(C)c2)c2c[nH]c3ccccc32)c1OC ZINC000035910663 524159670 /nfs/dbraw/zinc/15/96/70/524159670.db2.gz UDGZKTRDMYPZGS-QFIPXVFZSA-N 0 0 428.532 5.963 50 0 IKAARN COc1cccc([C@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476842 524162742 /nfs/dbraw/zinc/16/27/42/524162742.db2.gz NWYYVTXJSXUJHY-DEOSSOPVSA-N 0 0 443.572 6.222 50 0 IKAARN COc1cccc([C@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476844 524162803 /nfs/dbraw/zinc/16/28/03/524162803.db2.gz SGGSZWVXEJKQGU-DEOSSOPVSA-N 0 0 443.572 6.222 50 0 IKAARN Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000024735162 524164019 /nfs/dbraw/zinc/16/40/19/524164019.db2.gz HDZGGHYGTDWZPE-HNNXBMFYSA-N 0 0 448.375 5.646 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)c3ccco3)ccc2N(C)C)[C@@H](C)C(C)C)c1 ZINC000035946250 524166618 /nfs/dbraw/zinc/16/66/18/524166618.db2.gz GKFLOSVKNZUMRH-FQEVSTJZSA-N 0 0 447.579 5.593 50 0 IKAARN Cc1ccc(C)c(OCC(=O)OCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)c1 ZINC000012596101 524169372 /nfs/dbraw/zinc/16/93/72/524169372.db2.gz RWNCZZJYZOPXFF-UHFFFAOYSA-N 0 0 427.500 5.267 50 0 IKAARN Cc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Br)cc3)CC2)c1 ZINC000023331779 524179893 /nfs/dbraw/zinc/17/98/93/524179893.db2.gz JQIOUNWHGHCQGR-DEOSSOPVSA-N 0 0 449.392 5.305 50 0 IKAARN Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)N(Cc2ccco2)C3=O)c(O)c1 ZINC000020868207 524210738 /nfs/dbraw/zinc/21/07/38/524210738.db2.gz NLJXSUCFZCKKFB-QHCPKHFHSA-N 0 0 433.895 5.391 50 0 IKAARN Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Br)o3)nc21 ZINC000022889616 524216415 /nfs/dbraw/zinc/21/64/15/524216415.db2.gz XBQKBBIBRWHWJB-ZDUSSCGKSA-N 0 0 435.343 5.094 50 0 IKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000033267653 524217755 /nfs/dbraw/zinc/21/77/55/524217755.db2.gz VMDSQGQFRLFIBY-BALBBAFXSA-N 0 0 433.621 6.039 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3F)c2)c1 ZINC000033009265 524217910 /nfs/dbraw/zinc/21/79/10/524217910.db2.gz GQHXYNRZGFPJIU-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN Cc1cccc(C(=O)Nc2ccccc2N2CCCN(Cc3ccccc3Cl)C2=O)c1 ZINC000034735036 524220225 /nfs/dbraw/zinc/22/02/25/524220225.db2.gz JTDOYCIWLQGANA-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000020599549 524222842 /nfs/dbraw/zinc/22/28/42/524222842.db2.gz IZAIEQFTJLPDQY-CQSZACIVSA-N 0 0 441.881 5.398 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2SC)C1 ZINC000012718684 524222971 /nfs/dbraw/zinc/22/29/71/524222971.db2.gz YMSPRFKEWYCGDV-INIZCTEOSA-N 0 0 447.000 5.342 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CN(C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000012813043 524225355 /nfs/dbraw/zinc/22/53/55/524225355.db2.gz ZZROSWVTLXUAHS-UHFFFAOYSA-N 0 0 436.364 5.196 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)C[C@@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O ZINC000015721596 524229546 /nfs/dbraw/zinc/22/95/46/524229546.db2.gz XQYIGLXTSJGIHS-QFIPXVFZSA-N 0 0 434.923 5.383 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3nc4ccccc4s3)[C@H](c3ccco3)C2)cc1 ZINC000057286261 524230152 /nfs/dbraw/zinc/23/01/52/524230152.db2.gz PDSBRAFSHZLKQQ-NRFANRHFSA-N 0 0 444.560 5.007 50 0 IKAARN Cc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2Nc2ccccc2)cc1 ZINC000033349192 524231109 /nfs/dbraw/zinc/23/11/09/524231109.db2.gz YDPLCGZGXXRWGE-QNGOZBTKSA-N 0 0 432.321 5.415 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000033255243 524231528 /nfs/dbraw/zinc/23/15/28/524231528.db2.gz DNCIMCBGWQCWTB-UHFFFAOYSA-N 0 0 426.904 5.119 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccccc3)C2)cc1C ZINC000017143522 524235145 /nfs/dbraw/zinc/23/51/45/524235145.db2.gz ICKYVLFBOMPXDO-VWLOTQADSA-N 0 0 444.003 7.436 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000013347770 524237577 /nfs/dbraw/zinc/23/75/77/524237577.db2.gz ROZMFQLYJAECHP-UHFFFAOYSA-N 0 0 434.927 5.665 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc(C)c(C)c2)n2ccccc12 ZINC000012342147 524239483 /nfs/dbraw/zinc/23/94/83/524239483.db2.gz CDDJDURSRYLMOK-UHFFFAOYSA-N 0 0 447.922 5.284 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010932 524241813 /nfs/dbraw/zinc/24/18/13/524241813.db2.gz PDKYEJRYYWOTAD-UHFFFAOYSA-N 0 0 430.895 5.802 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000021923011 524241926 /nfs/dbraw/zinc/24/19/26/524241926.db2.gz RLJCUUABAYPHPX-UHFFFAOYSA-N 0 0 446.816 5.329 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023446437 524245393 /nfs/dbraw/zinc/24/53/93/524245393.db2.gz QUPSCEINLLPBGG-HXUWFJFHSA-N 0 0 427.569 6.959 50 0 IKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 ZINC000012661090 524248573 /nfs/dbraw/zinc/24/85/73/524248573.db2.gz OMDXLDUEOJWXPD-KCWPFWIISA-N 0 0 428.532 5.677 50 0 biogenic IKAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(Cl)cc3)oc21 ZINC000012437467 524260076 /nfs/dbraw/zinc/26/00/76/524260076.db2.gz SODFCJPDGTYRQA-BZZOAKBMSA-N 0 0 439.920 5.468 50 0 IKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccccc4C)cc3)C2=O)c(C)c1 ZINC000034736808 524260341 /nfs/dbraw/zinc/26/03/41/524260341.db2.gz XPXPMGSZGFCUNJ-UHFFFAOYSA-N 0 0 441.575 6.005 50 0 IKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)Cc4cccs4)cc3)C2=O)c(C)c1 ZINC000034736813 524261462 /nfs/dbraw/zinc/26/14/62/524261462.db2.gz RDOQXTGMCWZIJX-UHFFFAOYSA-N 0 0 447.604 5.687 50 0 IKAARN COc1ccc(Cn2cnc3c4ccccc4n(Cc4c(F)cccc4Cl)c3c2=O)cc1 ZINC000035400202 524264483 /nfs/dbraw/zinc/26/44/83/524264483.db2.gz MDKXLIBHOWLALL-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2o1 ZINC000009660217 524265652 /nfs/dbraw/zinc/26/56/52/524265652.db2.gz MCESVOQAXHANBL-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 biogenic IKAARN Cc1cccc(C)c1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000009664593 524265987 /nfs/dbraw/zinc/26/59/87/524265987.db2.gz PHAADNPWVUTLFL-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN COc1ccccc1-c1cc(CSc2nnc(N3CCCC3)n2-c2ccc(C)cc2)on1 ZINC000023043435 524267255 /nfs/dbraw/zinc/26/72/55/524267255.db2.gz KYBSRDDLEVXIIB-UHFFFAOYSA-N 0 0 447.564 5.132 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)n2nc(C(C)(C)C)cc2n1 ZINC000034833673 524268523 /nfs/dbraw/zinc/26/85/23/524268523.db2.gz CEERDWMYLUVCFO-QGZVFWFLSA-N 0 0 428.536 5.193 50 0 IKAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000035684791 524275583 /nfs/dbraw/zinc/27/55/83/524275583.db2.gz JIDJXNIIJTUKOC-MRXNPFEDSA-N 0 0 431.279 5.037 50 0 IKAARN Cc1cc(C)c(Cn2ccnc2CN(C(=O)c2ccccc2F)C2CCCCC2)c(C)c1 ZINC000035979766 524276184 /nfs/dbraw/zinc/27/61/84/524276184.db2.gz OSJGQWAAZPNMEV-UHFFFAOYSA-N 0 0 433.571 5.971 50 0 IKAARN COc1ccccc1-c1coc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1=O ZINC000002667597 524276856 /nfs/dbraw/zinc/27/68/56/524276856.db2.gz QEKCYUKCBUTZMA-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 IKAARN COc1ccccc1-c1nc(CSc2ncnc3c2cnn3-c2ccccc2)cs1 ZINC000012782810 524280448 /nfs/dbraw/zinc/28/04/48/524280448.db2.gz RPPGHQZGDLSNND-UHFFFAOYSA-N 0 0 431.546 5.240 50 0 IKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000034912647 524282101 /nfs/dbraw/zinc/28/21/01/524282101.db2.gz TUGZGBVCHDWSQY-UHFFFAOYSA-N 0 0 425.410 5.589 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1 ZINC000012748449 524283205 /nfs/dbraw/zinc/28/32/05/524283205.db2.gz PSWOWKYBQOAGPB-UHFFFAOYSA-N 0 0 444.453 5.601 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000012691214 524283678 /nfs/dbraw/zinc/28/36/78/524283678.db2.gz AQRJGBMONQPKIK-NRFANRHFSA-N 0 0 429.545 5.587 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000012598911 524286360 /nfs/dbraw/zinc/28/63/60/524286360.db2.gz UOQOAZDREOLCDO-FGZHOGPDSA-N 0 0 429.564 5.259 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(Cl)c1 ZINC000012641951 524290184 /nfs/dbraw/zinc/29/01/84/524290184.db2.gz UKAVHXMQGQIPRG-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN COc1ccccc1-c1nnc(SC[C@H](O)c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000012522409 524291674 /nfs/dbraw/zinc/29/16/74/524291674.db2.gz CHISZWNPWPOJMV-FQEVSTJZSA-N 0 0 437.952 5.422 50 0 IKAARN COc1ccccc1-c1noc(CCCC(=O)Nc2c(C)cc(Br)cc2C)n1 ZINC000015669612 524293975 /nfs/dbraw/zinc/29/39/75/524293975.db2.gz IWKQJZFBDMISPM-UHFFFAOYSA-N 0 0 444.329 5.086 50 0 IKAARN COc1ccccc1-n1c(C)c(C)c2c3nc(-c4ccccc4Br)nn3cnc21 ZINC000021801241 524300325 /nfs/dbraw/zinc/30/03/25/524300325.db2.gz DYSNQDJVAPSCHW-UHFFFAOYSA-N 0 0 448.324 5.123 50 0 IKAARN COc1ccccc1-n1c(SCc2cc(F)cc(F)c2)nnc1-c1ccccc1Cl ZINC000035848237 524301813 /nfs/dbraw/zinc/30/18/13/524301813.db2.gz PGEQQHPVFCSJNU-UHFFFAOYSA-N 0 0 443.906 6.167 50 0 IKAARN COc1ccccc1-n1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020603810 524302376 /nfs/dbraw/zinc/30/23/76/524302376.db2.gz KAXXNRPEBXBAHQ-UHFFFAOYSA-N 0 0 429.423 5.138 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)c(C)c1 ZINC000015733531 524302490 /nfs/dbraw/zinc/30/24/90/524302490.db2.gz BLELFXXVGWLGSN-IBGZPJMESA-N 0 0 427.504 5.735 50 0 IKAARN Cc1ccc(CCC2CCN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)cc1 ZINC000021128980 524304696 /nfs/dbraw/zinc/30/46/96/524304696.db2.gz ZYLVASJUXOTJBW-DEOSSOPVSA-N 0 0 433.596 5.110 50 0 IKAARN COc1ccccc1-n1ccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016974333 524306186 /nfs/dbraw/zinc/30/61/86/524306186.db2.gz PPMOPJHUMNLDNH-UHFFFAOYSA-N 0 0 441.862 5.284 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)[C@@H]1C ZINC000020734910 524314731 /nfs/dbraw/zinc/31/47/31/524314731.db2.gz CYHBOQZJKSXEGD-FVFYIAOASA-N 0 0 440.996 5.980 50 0 IKAARN Cc1cc(C)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000015913190 524332014 /nfs/dbraw/zinc/33/20/14/524332014.db2.gz GONKGRMZKHBRDG-IBGZPJMESA-N 0 0 433.499 5.062 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)Nc4ccc(F)cc4)cc3)c2n1 ZINC000020992830 524341936 /nfs/dbraw/zinc/34/19/36/524341936.db2.gz YFOIDOMZZACXIL-UHFFFAOYSA-N 0 0 439.494 5.279 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)c2n1 ZINC000020992858 524342767 /nfs/dbraw/zinc/34/27/67/524342767.db2.gz BDDWYLDWDANVJN-NRFANRHFSA-N 0 0 449.558 5.378 50 0 IKAARN Cc1cc(C)c2c(n1)sc(-c1nc(-c3ccc(C(F)(F)F)cc3)no1)c2-n1cccc1 ZINC000015107980 524347559 /nfs/dbraw/zinc/34/75/59/524347559.db2.gz BDYUYFUUIVUNJC-UHFFFAOYSA-N 0 0 440.450 6.440 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000020939362 524348901 /nfs/dbraw/zinc/34/89/01/524348901.db2.gz HCKZZUZHAOXMJB-GOSISDBHSA-N 0 0 446.576 5.334 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)c2-n1cccc1 ZINC000020465933 524349568 /nfs/dbraw/zinc/34/95/68/524349568.db2.gz VHKVZFAUWGGLLX-ZFGQVMFLSA-N 0 0 433.621 6.039 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000012540952 524356597 /nfs/dbraw/zinc/35/65/97/524356597.db2.gz QNJHKMFWSYHZFF-GASCZTMLSA-N 0 0 442.968 5.563 50 0 IKAARN Cc1cc(C)cc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(Cl)cc2)c1 ZINC000017011011 524357092 /nfs/dbraw/zinc/35/70/92/524357092.db2.gz GUVGXECEZPAUJY-UHFFFAOYSA-N 0 0 445.975 6.430 50 0 IKAARN Cc1cccc(CCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000021916229 524360966 /nfs/dbraw/zinc/36/09/66/524360966.db2.gz UGLWIJXLUIPDQM-UHFFFAOYSA-N 0 0 427.548 5.342 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036034066 524369816 /nfs/dbraw/zinc/36/98/16/524369816.db2.gz CCDHWVWUBYVONE-AWEZNQCLSA-N 0 0 437.895 5.583 50 0 IKAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)Nc2cccc(C)c2)C1 ZINC000035839616 524373057 /nfs/dbraw/zinc/37/30/57/524373057.db2.gz WGZGWUVDFLQNEX-JOCHJYFZSA-N 0 0 447.510 5.370 50 0 IKAARN COc1ccc(NC=C2C(=O)N(c3ccccc3C(F)(F)F)C(=O)c3ccccc32)cc1 ZINC000012524296 524379442 /nfs/dbraw/zinc/37/94/42/524379442.db2.gz JIZMYXSQYSDLQW-XMHGGMMESA-N 0 0 438.405 5.354 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4ccccc4C)c3)C2=O)c1 ZINC000034735563 524382465 /nfs/dbraw/zinc/38/24/65/524382465.db2.gz RBTDSLSIZFEART-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN COc1ccccc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1Cl ZINC000012094255 524394722 /nfs/dbraw/zinc/39/47/22/524394722.db2.gz HORDULZFKQVBOM-HHHXNRCGSA-N 0 0 444.962 5.937 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)[C@@H]1C ZINC000012657112 524396880 /nfs/dbraw/zinc/39/68/80/524396880.db2.gz SOJJWOFKQNSRPW-LZJOCLMNSA-N 0 0 429.944 5.017 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2C2CCCCCC2)[C@@H]1C ZINC000021811769 524402925 /nfs/dbraw/zinc/40/29/25/524402925.db2.gz NQLOBCDLLTUWMK-CKWPORTCSA-N 0 0 439.600 5.113 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000035482114 524411195 /nfs/dbraw/zinc/41/11/95/524411195.db2.gz XDDWSSAXUBKJMA-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN Cc1cccc(CN2[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986848 524411372 /nfs/dbraw/zinc/41/13/72/524411372.db2.gz WDNZPGBNRXZBPR-OAQYLSRUSA-N 0 0 432.467 5.329 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035928668 524411731 /nfs/dbraw/zinc/41/17/31/524411731.db2.gz MQRVVSZYXNBUOH-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000035928702 524411811 /nfs/dbraw/zinc/41/18/11/524411811.db2.gz YLRBUNRJFBBJDJ-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000020903259 524412057 /nfs/dbraw/zinc/41/20/57/524412057.db2.gz LQBYHPVOMCQRAA-MUUNZHRXSA-N 0 0 443.591 5.516 50 0 IKAARN Cc1cc(C)cc(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)c1 ZINC000021657860 524412181 /nfs/dbraw/zinc/41/21/81/524412181.db2.gz JZAWOBHQKYUMSX-UHFFFAOYSA-N 0 0 448.588 5.936 50 0 IKAARN COc1ccccc1CCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O ZINC000028393323 524412212 /nfs/dbraw/zinc/41/22/12/524412212.db2.gz NJCGEPXKYFTEKB-UHFFFAOYSA-N 0 0 447.531 5.073 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000015672967 524413652 /nfs/dbraw/zinc/41/36/52/524413652.db2.gz OQUCNMUFMDLJIL-SANMLTNESA-N 0 0 449.620 5.578 50 0 IKAARN COc1ccccc1CCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916241 524420062 /nfs/dbraw/zinc/42/00/62/524420062.db2.gz UACLTESCJOXFGV-UHFFFAOYSA-N 0 0 443.547 5.043 50 0 IKAARN Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(C(=O)c3ccccc3)C2)c1 ZINC000034715497 524423199 /nfs/dbraw/zinc/42/31/99/524423199.db2.gz JTRJZXOCYJGESC-JWQCQUIFSA-N 0 0 444.550 5.005 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccc(F)cc2)CCCC4)c1 ZINC000021048464 524425467 /nfs/dbraw/zinc/42/54/67/524425467.db2.gz GQQXLZIFEIXJRF-XMMPIXPASA-N 0 0 434.580 6.562 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H](c3ccccc3F)C2)c1 ZINC000021163943 524425828 /nfs/dbraw/zinc/42/58/28/524425828.db2.gz RHMASHDJKKKZRS-QHCPKHFHSA-N 0 0 427.523 6.146 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000021888663 524426692 /nfs/dbraw/zinc/42/66/92/524426692.db2.gz NAQLWABUYLDKSR-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000021536126 524426825 /nfs/dbraw/zinc/42/68/25/524426825.db2.gz AAVQLLQJQOKSGE-SANMLTNESA-N 0 0 425.507 6.370 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000015732149 524426892 /nfs/dbraw/zinc/42/68/92/524426892.db2.gz KCILRZZQCOBGAQ-GDLZYMKVSA-N 0 0 449.598 7.355 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)c1 ZINC000021536482 524427949 /nfs/dbraw/zinc/42/79/49/524427949.db2.gz OWPWWEZSOKGWSX-AREMUKBSSA-N 0 0 443.497 6.509 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000021888666 524428075 /nfs/dbraw/zinc/42/80/75/524428075.db2.gz NAQLWABUYLDKSR-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCc4cccc(F)c4)cc32)cc1 ZINC000020385797 524428516 /nfs/dbraw/zinc/42/85/16/524428516.db2.gz AXVXXIIKNUCECT-UHFFFAOYSA-N 0 0 435.524 5.095 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)c1 ZINC000033009775 524428835 /nfs/dbraw/zinc/42/88/35/524428835.db2.gz HWDSKCHGVIQWAL-UHFFFAOYSA-N 0 0 446.526 5.939 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2SCC2=NNC(=O)c3ccccc3O2)c1 ZINC000021777577 524430595 /nfs/dbraw/zinc/43/05/95/524430595.db2.gz KUVKTYPJYOJDOK-UHFFFAOYSA-N 0 0 446.532 5.175 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676984 524431775 /nfs/dbraw/zinc/43/17/75/524431775.db2.gz DTJSHHPLBLNRKR-MUUNZHRXSA-N 0 0 443.591 5.203 50 0 IKAARN Cc1ccc(CN2C(=O)c3[nH]c4ccccc4c3SC[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000033315216 524432251 /nfs/dbraw/zinc/43/22/51/524432251.db2.gz XLONZEIIMQYDBM-SANMLTNESA-N 0 0 447.604 5.042 50 0 IKAARN Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)n3c4ccccc4nc32)cc1 ZINC000023382112 524433165 /nfs/dbraw/zinc/43/31/65/524433165.db2.gz SJSAZYULEUWZMW-DEOSSOPVSA-N 0 0 438.531 5.078 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)c1 ZINC000012566698 524434725 /nfs/dbraw/zinc/43/47/25/524434725.db2.gz AEQZCCOSPBXKEY-RUZDIDTESA-N 0 0 433.479 5.329 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000015947577 524436817 /nfs/dbraw/zinc/43/68/17/524436817.db2.gz HKTNYGMIOSCSDY-NMEBWFKWSA-N 0 0 434.517 5.514 50 0 IKAARN C[C@H]1CCc2sc(-c3nnc(S[C@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 ZINC000012478518 524444492 /nfs/dbraw/zinc/44/44/92/524444492.db2.gz ZYSIRNVKVBSYGN-BUXKBTBVSA-N 0 0 443.569 5.174 50 0 IKAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2C1 ZINC000002621016 524444585 /nfs/dbraw/zinc/44/45/85/524444585.db2.gz MNKWNWFVPVORAI-AWEZNQCLSA-N 0 0 433.895 5.420 50 0 IKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccccc4)cs3)c(F)c2)c1 ZINC000034713270 524445805 /nfs/dbraw/zinc/44/58/05/524445805.db2.gz RJUJHTDAJFZUHD-UHFFFAOYSA-N 0 0 432.520 5.767 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)N4CCc5ccccc54)c3)C2=O)cc1 ZINC000035180922 524445942 /nfs/dbraw/zinc/44/59/42/524445942.db2.gz MJNQVUZFYCLXFO-UHFFFAOYSA-N 0 0 425.532 5.030 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4cccc([C@@H](C)O)c4)c3)C2=O)cc1 ZINC000035180919 524446796 /nfs/dbraw/zinc/44/67/96/524446796.db2.gz SCIRHDVCBYOTIH-HXUWFJFHSA-N 0 0 443.547 5.133 50 0 IKAARN C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2)c1ccccc1 ZINC000032983550 524463685 /nfs/dbraw/zinc/46/36/85/524463685.db2.gz MPSIOJTTYGICQQ-GEWRUKCFSA-N 0 0 432.907 5.246 50 0 IKAARN Cc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3C[C@@H](C)c2ccccc2)c1 ZINC000035529576 524464826 /nfs/dbraw/zinc/46/48/26/524464826.db2.gz HZEBEHLPYBZQKZ-QGZVFWFLSA-N 0 0 446.601 5.510 50 0 IKAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1ccc(C(C)C)cc1 ZINC000035527366 524476269 /nfs/dbraw/zinc/47/62/69/524476269.db2.gz YNHLULSRDHZTEO-MUUNZHRXSA-N 0 0 442.559 5.097 50 0 IKAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1ccc(C(C)C)cc1 ZINC000035527365 524480083 /nfs/dbraw/zinc/48/00/83/524480083.db2.gz YNHLULSRDHZTEO-NDEPHWFRSA-N 0 0 442.559 5.097 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)cc1Cl ZINC000012458100 524482511 /nfs/dbraw/zinc/48/25/11/524482511.db2.gz ZLPMKYPXQJATGT-SFHVURJKSA-N 0 0 446.950 5.078 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)cc1Cl ZINC000012458102 524484948 /nfs/dbraw/zinc/48/49/48/524484948.db2.gz ZLPMKYPXQJATGT-GOSISDBHSA-N 0 0 446.950 5.078 50 0 IKAARN COc1ccccc1CNC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000021923210 524485743 /nfs/dbraw/zinc/48/57/43/524485743.db2.gz GLXANSSYQFPACZ-UHFFFAOYSA-N 0 0 434.499 5.002 50 0 IKAARN Cc1cccc(Cn2c(SCc3ccc(C(=O)NC(C)C)cc3)nc3cccnc32)c1 ZINC000020532342 524493096 /nfs/dbraw/zinc/49/30/96/524493096.db2.gz FPULQKMWLMFKHS-UHFFFAOYSA-N 0 0 430.577 5.219 50 0 IKAARN Cc1cc(C)n(CC(=O)N(Cc2cccc(OCCc3cccs3)c2)C2CCCC2)n1 ZINC000012150823 524501439 /nfs/dbraw/zinc/50/14/39/524501439.db2.gz XARBLUMPTDDFFG-UHFFFAOYSA-N 0 0 437.609 5.154 50 0 IKAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)cc1 ZINC000033325048 524504555 /nfs/dbraw/zinc/50/45/55/524504555.db2.gz LQURJAGHOATHNV-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1Cl ZINC000021147461 524506388 /nfs/dbraw/zinc/50/63/88/524506388.db2.gz XLFNLJFHSZXSJJ-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN Cc1ccc(CNC(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000012565480 524508022 /nfs/dbraw/zinc/50/80/22/524508022.db2.gz RNHUMYIHCNBHAI-UHFFFAOYSA-N 0 0 444.918 5.337 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)n2-c2cccc(C)c2)cc1 ZINC000009730726 524508245 /nfs/dbraw/zinc/50/82/45/524508245.db2.gz KGEYCNQRRDGXFR-UHFFFAOYSA-N 0 0 443.572 5.896 50 0 IKAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3cccc(Cl)c3)c2c1=O ZINC000035400348 524522223 /nfs/dbraw/zinc/52/22/23/524522223.db2.gz JDHFVXRRHIZLIK-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN COc1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)n2)cc1 ZINC000014609337 524525290 /nfs/dbraw/zinc/52/52/90/524525290.db2.gz RLVVZGVSPKKEAZ-UHFFFAOYSA-N 0 0 446.576 5.035 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000021536767 524526210 /nfs/dbraw/zinc/52/62/10/524526210.db2.gz HTRUWSGYMTXAGZ-SANMLTNESA-N 0 0 441.962 6.254 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035528865 524529643 /nfs/dbraw/zinc/52/96/43/524529643.db2.gz WTZRZMMVRVSTEW-SFHVURJKSA-N 0 0 427.976 5.112 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000035927155 524532896 /nfs/dbraw/zinc/53/28/96/524532896.db2.gz WBHTXFVRCBTKNY-VWLOTQADSA-N 0 0 432.545 5.100 50 0 IKAARN Cc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccc(C(C)C)cc4)N3C2=O)c1 ZINC000012662500 524532921 /nfs/dbraw/zinc/53/29/21/524532921.db2.gz WAVGGBXCHKUNRA-AHKZPQOWSA-N 0 0 449.554 6.083 50 0 biogenic IKAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1 ZINC000034927298 524533045 /nfs/dbraw/zinc/53/30/45/524533045.db2.gz MLHQYVXJQCPMLX-UHFFFAOYSA-N 0 0 435.376 5.014 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1C ZINC000035927147 524534433 /nfs/dbraw/zinc/53/44/33/524534433.db2.gz OFMCXQOTRZNVOV-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)c1C ZINC000015675450 524535486 /nfs/dbraw/zinc/53/54/86/524535486.db2.gz MBRGMYMMDMMZQO-MHZLTWQESA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1C ZINC000021808209 524535799 /nfs/dbraw/zinc/53/57/99/524535799.db2.gz RGWHILYJEHTBNH-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000035926963 524536087 /nfs/dbraw/zinc/53/60/87/524536087.db2.gz FYBYFCRIOGZJFP-QHCPKHFHSA-N 0 0 438.936 5.380 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000015672623 524536468 /nfs/dbraw/zinc/53/64/68/524536468.db2.gz HMGPZXIDKZFFKO-BNJIMDBKSA-N 0 0 449.620 5.434 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c(C)c1 ZINC000012704835 524545209 /nfs/dbraw/zinc/54/52/09/524545209.db2.gz HPAWBJBPGIMJQJ-FQEVSTJZSA-N 0 0 428.532 5.382 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)c1C ZINC000020237881 524549568 /nfs/dbraw/zinc/54/95/68/524549568.db2.gz DQHQDJWFDZMULI-UHFFFAOYSA-N 0 0 448.567 5.020 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000015725101 524554709 /nfs/dbraw/zinc/55/47/09/524554709.db2.gz XBVSKYJZTWGXBE-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c(OC)c1 ZINC000021879756 524556806 /nfs/dbraw/zinc/55/68/06/524556806.db2.gz HTAPRIGBVGMPSC-VWLOTQADSA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1OC ZINC000021891209 524558275 /nfs/dbraw/zinc/55/82/75/524558275.db2.gz QJEXEXWGDBXLRU-XMMPIXPASA-N 0 0 445.544 5.693 50 0 IKAARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1OC ZINC000033265556 524558424 /nfs/dbraw/zinc/55/84/24/524558424.db2.gz VFRZAPKYHMWYQS-OAHLLOKOSA-N 0 0 437.565 5.544 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000021893633 524558454 /nfs/dbraw/zinc/55/84/54/524558454.db2.gz YHRYMUDDEQWPEM-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021888844 524558966 /nfs/dbraw/zinc/55/89/66/524558966.db2.gz VDLPIBVCYNRDSO-VWLOTQADSA-N 0 0 427.479 5.762 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000021893629 524559239 /nfs/dbraw/zinc/55/92/39/524559239.db2.gz YHRYMUDDEQWPEM-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000021892065 524559646 /nfs/dbraw/zinc/55/96/46/524559646.db2.gz NYJBDECYGGVZQW-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN Cc1cccc(N2CCN([C@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)c1C ZINC000020988690 524560248 /nfs/dbraw/zinc/56/02/48/524560248.db2.gz RPOYCEIOORIWBD-VWLOTQADSA-N 0 0 442.538 5.404 50 0 IKAARN Cc1cccc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)c1C ZINC000015864918 524563000 /nfs/dbraw/zinc/56/30/00/524563000.db2.gz PKDODBWPXDRQPT-UHFFFAOYSA-N 0 0 434.996 5.955 50 0 IKAARN COc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c(OC)c1 ZINC000033062288 524566464 /nfs/dbraw/zinc/56/64/64/524566464.db2.gz JDQGRFOHIUGZQN-HXUWFJFHSA-N 0 0 433.483 5.278 50 0 IKAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cccc(Cl)c3F)nc2n1 ZINC000021354694 524572288 /nfs/dbraw/zinc/57/22/88/524572288.db2.gz BDSOFJSXFNWOHX-UHFFFAOYSA-N 0 0 441.919 5.078 50 0 IKAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(Cl)cc3C)nc2n1 ZINC000014492724 524573488 /nfs/dbraw/zinc/57/34/88/524573488.db2.gz KGQIZQWYWSRIPK-UHFFFAOYSA-N 0 0 437.956 5.248 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)co3)cc2)cc1Cl ZINC000021363413 524576267 /nfs/dbraw/zinc/57/62/67/524576267.db2.gz KQAHZAODHNKTNN-UHFFFAOYSA-N 0 0 433.895 6.623 50 0 IKAARN COc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)cc1 ZINC000033009799 524577282 /nfs/dbraw/zinc/57/72/82/524577282.db2.gz NFLHXVYCQUYBDL-UHFFFAOYSA-N 0 0 448.498 5.331 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000021795506 524579011 /nfs/dbraw/zinc/57/90/11/524579011.db2.gz LGKMFIUABDTJQR-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1 ZINC000012554004 524585700 /nfs/dbraw/zinc/58/57/00/524585700.db2.gz IPPSPTLGINAGKE-QHCPKHFHSA-N 0 0 429.545 5.044 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn32)cc1Cl ZINC000020725466 524590852 /nfs/dbraw/zinc/59/08/52/524590852.db2.gz OXEVLQRRHLDKRU-INIZCTEOSA-N 0 0 431.279 5.037 50 0 IKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)c2)n1 ZINC000012090033 524595789 /nfs/dbraw/zinc/59/57/89/524595789.db2.gz XNYOTCAIDBGHQW-OAHLLOKOSA-N 0 0 442.313 5.054 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(C)c2)cc1 ZINC000034924107 524603436 /nfs/dbraw/zinc/60/34/36/524603436.db2.gz FWJCVCPJDOAHQN-JWQCQUIFSA-N 0 0 426.516 5.085 50 0 IKAARN COc1ccccc1NC(=O)Cc1nc(CN[C@@H](C)c2cccc3ccccc32)cs1 ZINC000012874105 524603942 /nfs/dbraw/zinc/60/39/42/524603942.db2.gz ZMEFQHLZCKNGFA-KRWDZBQOSA-N 0 0 431.561 5.337 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035836394 524608288 /nfs/dbraw/zinc/60/82/88/524608288.db2.gz NVJPPMDHXYPUBX-FQEVSTJZSA-N 0 0 433.483 5.062 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035944478 524608306 /nfs/dbraw/zinc/60/83/06/524608306.db2.gz MOJXULHPJUPICE-OAQYLSRUSA-N 0 0 449.938 5.576 50 0 IKAARN Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c1C ZINC000012414527 524608311 /nfs/dbraw/zinc/60/83/11/524608311.db2.gz OTZFDPXQLZNGEE-UHFFFAOYSA-N 0 0 435.886 5.112 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892287 524612109 /nfs/dbraw/zinc/61/21/09/524612109.db2.gz USRFVJCIYFVETQ-RUZDIDTESA-N 0 0 445.469 5.901 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021893528 524612125 /nfs/dbraw/zinc/61/21/25/524612125.db2.gz ZCIJNFAKGPBACH-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000012342314 524619403 /nfs/dbraw/zinc/61/94/03/524619403.db2.gz HQLKONWIZOBDLA-UHFFFAOYSA-N 0 0 445.954 5.461 50 0 IKAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000021867072 524622324 /nfs/dbraw/zinc/62/23/24/524622324.db2.gz YMKDXFRLJURAQM-ZDUSSCGKSA-N 0 0 441.603 5.995 50 0 IKAARN COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1Cl ZINC000027397401 524626055 /nfs/dbraw/zinc/62/60/55/524626055.db2.gz IIPFKSVYTWNYIY-VYIQYICTSA-N 0 0 439.298 6.233 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000020934764 524626607 /nfs/dbraw/zinc/62/66/07/524626607.db2.gz KHSAGDSQCPBHEG-UHFFFAOYSA-N 0 0 430.529 6.203 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)c1C ZINC000021888650 524627351 /nfs/dbraw/zinc/62/73/51/524627351.db2.gz VINYDDLWZZZZPE-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc(NC(=O)NCCCCCCCCCCNC(=O)Nc2cccc(C)c2)c1 ZINC000014923464 524631061 /nfs/dbraw/zinc/63/10/61/524631061.db2.gz UBZCPDISVDFMLR-UHFFFAOYSA-N 0 0 438.616 6.367 50 0 IKAARN COc1ccc(NC(=O)c2ccc(CSc3nnc(C)n3-c3ccccc3C)cc2)cc1 ZINC000012475599 524634206 /nfs/dbraw/zinc/63/42/06/524634206.db2.gz YOMPSOGHAVYXMJ-UHFFFAOYSA-N 0 0 444.560 5.437 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)cc1OC ZINC000022496942 524635788 /nfs/dbraw/zinc/63/57/88/524635788.db2.gz DVAVQTYQOBMIFO-UHFFFAOYSA-N 0 0 444.531 5.407 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1Cl ZINC000033010929 524638211 /nfs/dbraw/zinc/63/82/11/524638211.db2.gz UNCQZFGTYZHRMH-UHFFFAOYSA-N 0 0 430.895 5.802 50 0 IKAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3c(C)cccc3C)c3ccccc23)cc1 ZINC000017041700 524638841 /nfs/dbraw/zinc/63/88/41/524638841.db2.gz HFLYSHCWPZKWPD-UHFFFAOYSA-N 0 0 446.572 5.179 50 0 IKAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)c2)cc1 ZINC000035181117 524642295 /nfs/dbraw/zinc/64/22/95/524642295.db2.gz XWTHVYHNRZHNSO-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)c(OC)c1 ZINC000033261028 524642663 /nfs/dbraw/zinc/64/26/63/524642663.db2.gz RUGPDEHAZOLIHL-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](/C=C\c2ccco2)Nc2ccccc2-3)cc1 ZINC000033417818 524649198 /nfs/dbraw/zinc/64/91/98/524649198.db2.gz VEGZMQWHTKOCLM-BIGNBACZSA-N 0 0 428.517 5.576 50 0 IKAARN Cc1ccc(CSc2nnc3n2c2ccsc2c(=O)n3C[C@@H](C)c2ccccc2)cc1 ZINC000035529603 524651483 /nfs/dbraw/zinc/65/14/83/524651483.db2.gz CJMKRSNDPYBHOC-QGZVFWFLSA-N 0 0 446.601 5.510 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 ZINC000034712284 524652988 /nfs/dbraw/zinc/65/29/88/524652988.db2.gz QTIXSYMICCWDEQ-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2cccs2)c1 ZINC000012543132 524657450 /nfs/dbraw/zinc/65/74/50/524657450.db2.gz YUXBSSKLPVFAPL-UHFFFAOYSA-N 0 0 425.517 5.164 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)ncn1 ZINC000035526596 524693974 /nfs/dbraw/zinc/69/39/74/524693974.db2.gz DTEUCDPAYOEWOF-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SCc3cscn3)s2)cc1 ZINC000024750618 524693964 /nfs/dbraw/zinc/69/39/64/524693964.db2.gz CFLHCSKAVWVQIR-UHFFFAOYSA-N 0 0 437.615 6.043 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(=O)NC(C)C)c(-c2ccccc2)nn1C ZINC000035980854 524694273 /nfs/dbraw/zinc/69/42/73/524694273.db2.gz LQMIHXQNZHXKDG-UHFFFAOYSA-N 0 0 448.567 5.218 50 0 IKAARN COc1ccccc1Oc1c(CN(CC(C)C)C(=O)C2CCC2)c(C)nn1-c1ccccc1 ZINC000035976387 524694302 /nfs/dbraw/zinc/69/43/02/524694302.db2.gz VNZFWOCNGUORBW-UHFFFAOYSA-N 0 0 447.579 5.766 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)ncn1 ZINC000035526560 524694950 /nfs/dbraw/zinc/69/49/50/524694950.db2.gz PFKRYTYQMAUHIM-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)C2CCCC2)C(C)C)c(-c2ccccc2)nn1C ZINC000035980495 524695491 /nfs/dbraw/zinc/69/54/91/524695491.db2.gz KNQAJFXCOHFNOC-UHFFFAOYSA-N 0 0 447.579 5.815 50 0 IKAARN COc1ccccc1Oc1c(CN(CC(C)C)C(=O)C(C)C)c(C)nn1-c1ccccc1 ZINC000035976385 524695518 /nfs/dbraw/zinc/69/55/18/524695518.db2.gz DNQHPKQXXFYTIC-UHFFFAOYSA-N 0 0 435.568 5.622 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)NC(C)C)C(C)C)c(-c2ccccc2)nn1C ZINC000035980835 524695533 /nfs/dbraw/zinc/69/55/33/524695533.db2.gz RJTFFTKLMVLBFH-UHFFFAOYSA-N 0 0 436.556 5.216 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)ncn1 ZINC000035526578 524696114 /nfs/dbraw/zinc/69/61/14/524696114.db2.gz HLHWUJMEJDOVNZ-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000018238730 524697615 /nfs/dbraw/zinc/69/76/15/524697615.db2.gz FZGKVVLSJKQWQU-UHFFFAOYSA-N 0 0 437.492 5.085 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1 ZINC000021487750 524698172 /nfs/dbraw/zinc/69/81/72/524698172.db2.gz UDOSKEHSDWXZOA-UHFFFAOYSA-N 0 0 431.448 5.010 50 0 IKAARN COc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3F)C2)cc1OC ZINC000012448411 524702107 /nfs/dbraw/zinc/70/21/07/524702107.db2.gz HIBIMOTXVNAYIC-LJQANCHMSA-N 0 0 434.511 5.227 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1Cl ZINC000012919354 524702326 /nfs/dbraw/zinc/70/23/26/524702326.db2.gz LKBVLTOBSAIDQS-HXUWFJFHSA-N 0 0 437.417 6.011 50 0 IKAARN COc1ccc(N[C@H](C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c2ccccc2)cc1 ZINC000012525002 524704691 /nfs/dbraw/zinc/70/46/91/524704691.db2.gz BUVMBNMUISMHFH-QHCPKHFHSA-N 0 0 429.545 5.919 50 0 IKAARN COc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3ncccn32)cc1 ZINC000015414476 524712717 /nfs/dbraw/zinc/71/27/17/524712717.db2.gz BYJKMBJDVXGUIL-UHFFFAOYSA-N 0 0 444.579 6.449 50 0 IKAARN COc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C(F)(F)F)nn32)cc1 ZINC000021150451 524712807 /nfs/dbraw/zinc/71/28/07/524712807.db2.gz SMTLOGFMNJBPKZ-UHFFFAOYSA-N 0 0 432.833 6.129 50 0 IKAARN COc1ccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1OC ZINC000035446414 524715882 /nfs/dbraw/zinc/71/58/82/524715882.db2.gz VPAQEULHJATLPR-UHFFFAOYSA-N 0 0 439.475 5.416 50 0 IKAARN COc1ccc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)c(OC)c1 ZINC000035446453 524716412 /nfs/dbraw/zinc/71/64/12/524716412.db2.gz YDUCNRGWYVMEJB-UHFFFAOYSA-N 0 0 439.475 5.416 50 0 IKAARN COc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)c(OC)c1 ZINC000015786735 524716528 /nfs/dbraw/zinc/71/65/28/524716528.db2.gz SOXZURCDDCDXKA-UHFFFAOYSA-N 0 0 443.438 5.247 50 0 IKAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2Nc1ccc(OCc2ccccc2)cc1 ZINC000020661995 524718848 /nfs/dbraw/zinc/71/88/48/524718848.db2.gz CLQNCKFVBRGBDX-UHFFFAOYSA-N 0 0 441.922 6.100 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012564421 524731504 /nfs/dbraw/zinc/73/15/04/524731504.db2.gz SFTRZOSLCJYXGT-UHFFFAOYSA-N 0 0 444.362 5.238 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC000021778078 524733494 /nfs/dbraw/zinc/73/34/94/524733494.db2.gz IPXBHFDQTYTTDQ-UHFFFAOYSA-N 0 0 449.913 5.558 50 0 IKAARN C[C@@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)cc2C1 ZINC000022227108 524734503 /nfs/dbraw/zinc/73/45/03/524734503.db2.gz RFRCTIHPOASRDO-GFCCVEGCSA-N 0 0 448.466 5.989 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000021147516 524743909 /nfs/dbraw/zinc/74/39/09/524743909.db2.gz DFAYJDYZPQPEMI-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN C[C@H](Cc1cccs1)NC(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000014964815 524749071 /nfs/dbraw/zinc/74/90/71/524749071.db2.gz LPUYXFSZSBRGIR-NFQMXDRXSA-N 0 0 446.616 5.134 50 0 IKAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1 ZINC000021728744 524748948 /nfs/dbraw/zinc/74/89/48/524748948.db2.gz POBFXKDCXPFPOW-FQEVSTJZSA-N 0 0 429.907 5.675 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021536132 524749933 /nfs/dbraw/zinc/74/99/33/524749933.db2.gz IFXUPVKFPUWMGS-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000012462862 524752457 /nfs/dbraw/zinc/75/24/57/524752457.db2.gz ZVBMQEJKNSEWIX-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021729358 524755418 /nfs/dbraw/zinc/75/54/18/524755418.db2.gz GJXGJZDIHVELCW-UHFFFAOYSA-N 0 0 433.939 5.737 50 0 IKAARN COc1ccccc1[C@@H]1CCN(Cc2cccn2-c2nccs2)c2ccccc2S1 ZINC000012242770 524759373 /nfs/dbraw/zinc/75/93/73/524759373.db2.gz RNJCEJNHPSKONB-QFIPXVFZSA-N 0 0 433.602 6.186 50 0 IKAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2S[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000013128427 524765379 /nfs/dbraw/zinc/76/53/79/524765379.db2.gz NYCDSYQGKJMODO-HSALFYBXSA-N 0 0 449.620 5.023 50 0 IKAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000013128428 524765447 /nfs/dbraw/zinc/76/54/47/524765447.db2.gz NYCDSYQGKJMODO-SLFFLAALSA-N 0 0 449.620 5.023 50 0 IKAARN Cc1ccc(Cn2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc3ccsc32)cc1 ZINC000035843826 524766739 /nfs/dbraw/zinc/76/67/39/524766739.db2.gz NGHKGYNQEDPPKJ-UHFFFAOYSA-N 0 0 428.601 6.154 50 0 IKAARN Cc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc3ccsc32)cc1 ZINC000035843827 524767538 /nfs/dbraw/zinc/76/75/38/524767538.db2.gz DSXLZZBBKLURFD-UHFFFAOYSA-N 0 0 429.589 5.018 50 0 IKAARN Cc1ccc(Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000035400872 524769455 /nfs/dbraw/zinc/76/94/55/524769455.db2.gz JSLQFJZZMGVSLM-UHFFFAOYSA-N 0 0 427.935 5.718 50 0 IKAARN C[C@H](Cn1c2nnc(SCc3ccccc3)n2c2ccsc2c1=O)c1ccccc1 ZINC000035529584 524770135 /nfs/dbraw/zinc/77/01/35/524770135.db2.gz HUJFSOKHLNJWKP-MRXNPFEDSA-N 0 0 432.574 5.202 50 0 IKAARN Cc1ccc(Cn2cc([C@@H](CC(=O)NC(C)C)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035080412 524772107 /nfs/dbraw/zinc/77/21/07/524772107.db2.gz NZHQBGDKBOETMC-VWLOTQADSA-N 0 0 428.551 6.184 50 0 IKAARN Cc1ccc(Cn2cc([C@@H](CC(=O)N3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035815734 524772679 /nfs/dbraw/zinc/77/26/79/524772679.db2.gz XOPSGRGGDBIXGU-SANMLTNESA-N 0 0 440.562 6.282 50 0 IKAARN Cc1cccc(Oc2c(CN(C(=O)c3cccs3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980708 524784220 /nfs/dbraw/zinc/78/42/20/524784220.db2.gz JCOFQCSOXQFSQA-UHFFFAOYSA-N 0 0 445.588 6.300 50 0 IKAARN Cc1cccc(Oc2c(CN(Cc3ccco3)C(=O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980681 524785584 /nfs/dbraw/zinc/78/55/84/524785584.db2.gz JWDRVFUKZMPZHH-UHFFFAOYSA-N 0 0 443.547 5.966 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c1 ZINC000020604850 524791533 /nfs/dbraw/zinc/79/15/33/524791533.db2.gz OXRPXMYKMVMXRZ-UHFFFAOYSA-N 0 0 431.389 5.571 50 0 IKAARN C[C@H](Cn1cnc2c3cc(F)ccc3n(Cc3ccc(Cl)cc3)c2c1=O)c1ccccc1 ZINC000035400489 524796282 /nfs/dbraw/zinc/79/62/82/524796282.db2.gz NKEVGVRVNUVMBG-QGZVFWFLSA-N 0 0 445.925 5.996 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3c(C)nc(C(C)C)nc3SC)n2)c1 ZINC000012848641 524796751 /nfs/dbraw/zinc/79/67/51/524796751.db2.gz KEVJRYRPJNANOS-UHFFFAOYSA-N 0 0 444.582 5.023 50 0 IKAARN C[C@H](Cn1cnc2c3cc(F)ccc3n(Cc3ccccc3Cl)c2c1=O)c1ccccc1 ZINC000021353660 524797437 /nfs/dbraw/zinc/79/74/37/524797437.db2.gz SAKGKLGEOGVRSH-QGZVFWFLSA-N 0 0 445.925 5.996 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000035928001 524812328 /nfs/dbraw/zinc/81/23/28/524812328.db2.gz CUNMMTZSSQUTDA-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000035928081 524812655 /nfs/dbraw/zinc/81/26/55/524812655.db2.gz GBFVZZOPAJSETE-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 ZINC000035928041 524812769 /nfs/dbraw/zinc/81/27/69/524812769.db2.gz PTOLJQDHHHUJRX-JOCHJYFZSA-N 0 0 426.538 5.155 50 0 IKAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1csc(C(C)=O)c1 ZINC000012387414 524818163 /nfs/dbraw/zinc/81/81/63/524818163.db2.gz WQAZKFAESABZSL-DEOSSOPVSA-N 0 0 430.529 5.229 50 0 IKAARN COc1ccccc1[C@H]1c2sc3c(c2CCN1C(=O)Nc1ccc(C)cc1C)CCCC3 ZINC000021048706 524818193 /nfs/dbraw/zinc/81/81/93/524818193.db2.gz YPQSZOAECBMFED-VWLOTQADSA-N 0 0 446.616 6.432 50 0 IKAARN C[C@H]1C[C@@H](Sc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc43)o2)C(=O)O1 ZINC000012599618 524824178 /nfs/dbraw/zinc/82/41/78/524824178.db2.gz JVYSRNRPBBQUBS-HXPMCKFVSA-N 0 0 437.908 5.401 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1 ZINC000021891229 524859278 /nfs/dbraw/zinc/85/92/78/524859278.db2.gz IRJKUJOVLIJIEI-DEOSSOPVSA-N 0 0 445.544 5.693 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)c1 ZINC000021879802 524859895 /nfs/dbraw/zinc/85/98/95/524859895.db2.gz IFTSBPKOKVQHJH-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(OC)c(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)c1 ZINC000035446473 524872800 /nfs/dbraw/zinc/87/28/00/524872800.db2.gz AQSFHNWTLVXHPN-UHFFFAOYSA-N 0 0 439.475 5.416 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000021353763 524889725 /nfs/dbraw/zinc/88/97/25/524889725.db2.gz XUXMIYOAUXOPKJ-UHFFFAOYSA-N 0 0 448.997 5.404 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915530 524900315 /nfs/dbraw/zinc/90/03/15/524900315.db2.gz LVNXXWGIYBSKLK-UHFFFAOYSA-N 0 0 433.939 5.737 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988127 524900623 /nfs/dbraw/zinc/90/06/23/524900623.db2.gz XSFXLTVRQYCJES-UHFFFAOYSA-N 0 0 433.939 6.276 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)c1 ZINC000021893187 524901232 /nfs/dbraw/zinc/90/12/32/524901232.db2.gz AKQZKQYEQASKLV-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000021536739 524901833 /nfs/dbraw/zinc/90/18/33/524901833.db2.gz LVLLFCQDLUUMLJ-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000021536702 524902250 /nfs/dbraw/zinc/90/22/50/524902250.db2.gz QTCDYZXFEOSALZ-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)[C@@H]2CCCO2)CCCC4)c1 ZINC000033115701 524902391 /nfs/dbraw/zinc/90/23/91/524902391.db2.gz SCIYNSCIZOVHGH-UPVQGACJSA-N 0 0 432.589 5.337 50 0 IKAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC000012567162 524903165 /nfs/dbraw/zinc/90/31/65/524903165.db2.gz XDWWXHIOTMBUIH-KRWDZBQOSA-N 0 0 447.560 5.168 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000012565368 524904926 /nfs/dbraw/zinc/90/49/26/524904926.db2.gz LCMWBMGERVVBEV-UHFFFAOYSA-N 0 0 442.924 6.423 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(S[C@@H](C)C(=O)NC2CC2)n1C1CCCCC1 ZINC000013113241 524907127 /nfs/dbraw/zinc/90/71/27/524907127.db2.gz RLPWZPHDQLRAKD-HNNXBMFYSA-N 0 0 449.020 5.083 50 0 IKAARN C[C@H](NC(=O)C1CCC1)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000012190825 524907889 /nfs/dbraw/zinc/90/78/89/524907889.db2.gz KZCIOWPNVREGCP-HNNXBMFYSA-N 0 0 433.021 5.570 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(-c3cccs3)nc3onc(C)c32)c1 ZINC000021205231 524914346 /nfs/dbraw/zinc/91/43/46/524914346.db2.gz QLTIYDBNADZCQG-LJQANCHMSA-N 0 0 449.532 5.254 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S[C@H]2CCCCCC2=O)cc1 ZINC000012867291 524917928 /nfs/dbraw/zinc/91/79/28/524917928.db2.gz ADYKTVQDGLEXTO-FOYGFLCZSA-N 0 0 448.544 5.102 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)cc1C ZINC000035910806 524919753 /nfs/dbraw/zinc/91/97/53/524919753.db2.gz HOVOXYHOPONXNK-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035910875 524920023 /nfs/dbraw/zinc/92/00/23/524920023.db2.gz DJQBUZWCKIMHCC-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)cc1F ZINC000035928599 524920142 /nfs/dbraw/zinc/92/01/42/524920142.db2.gz WTSPLORFGKJDFY-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1F ZINC000035928593 524921229 /nfs/dbraw/zinc/92/12/29/524921229.db2.gz HAHRPAHZEUZFBH-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035912289 524921363 /nfs/dbraw/zinc/92/13/63/524921363.db2.gz IFGRKCHTMYUZJC-HHHXNRCGSA-N 0 0 438.552 6.179 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1F ZINC000035928610 524921397 /nfs/dbraw/zinc/92/13/97/524921397.db2.gz QHIOCCGFSYIZLZ-VWLOTQADSA-N 0 0 434.536 5.484 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)c2ccoc2C)c1 ZINC000012372527 524922075 /nfs/dbraw/zinc/92/20/75/524922075.db2.gz MAXLXFSSOLYCRP-SWYRRKHMSA-N 0 0 447.531 6.003 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)c2ccoc2C)c1 ZINC000012372529 524922476 /nfs/dbraw/zinc/92/24/76/524922476.db2.gz MAXLXFSSOLYCRP-WOVHNISZSA-N 0 0 447.531 6.003 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)c(C)c1 ZINC000012661637 524926494 /nfs/dbraw/zinc/92/64/94/524926494.db2.gz NEPOQNDEHSXVGG-UKILVPOCSA-N 0 0 437.568 5.433 50 0 biogenic IKAARN Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000012447763 524927458 /nfs/dbraw/zinc/92/74/58/524927458.db2.gz HBGQBZNLPDCONO-CRICUBBOSA-N 0 0 448.975 5.517 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](C)S[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000012447768 524929039 /nfs/dbraw/zinc/92/90/39/524929039.db2.gz WAUHMWKUQMKFPU-GKVSMKOHSA-N 0 0 448.975 5.517 50 0 IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Br)cc4)c3[C@H]2c2cccnc2)cc1 ZINC000021367368 524930060 /nfs/dbraw/zinc/93/00/60/524930060.db2.gz VGLBSVJQNNHFNH-JOCHJYFZSA-N 0 0 445.320 5.292 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000020903253 524930550 /nfs/dbraw/zinc/93/05/50/524930550.db2.gz CFVDLAPUJIGIMD-NDEPHWFRSA-N 0 0 443.591 5.516 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 ZINC000012651901 524930569 /nfs/dbraw/zinc/93/05/69/524930569.db2.gz FZCXLEYCJGXKIJ-UYRXBGFRSA-N 0 0 437.326 6.250 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000012651828 524930583 /nfs/dbraw/zinc/93/05/83/524930583.db2.gz KYIIHTQJOBGUHT-DIBXZPPDSA-N 0 0 430.507 6.302 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1Cl ZINC000021856918 524931411 /nfs/dbraw/zinc/93/14/11/524931411.db2.gz DTBMUMXWGCIIGD-RUZDIDTESA-N 0 0 435.955 5.081 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000020902813 524931759 /nfs/dbraw/zinc/93/17/59/524931759.db2.gz NJDLMHQKCNPTQO-HHHXNRCGSA-N 0 0 429.564 5.126 50 0 IKAARN COc1ccc(OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1 ZINC000016035790 524932716 /nfs/dbraw/zinc/93/27/16/524932716.db2.gz NKAZRGDPDDQREJ-MDFNPEBQSA-N 0 0 432.476 5.083 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(-c4ccccc4)cc3)C2=O)cc1C ZINC000012648138 524933486 /nfs/dbraw/zinc/93/34/86/524933486.db2.gz JKYZEVFYDJJQPW-TURZUDJPSA-N 0 0 444.534 6.610 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034736117 524946363 /nfs/dbraw/zinc/94/63/63/524946363.db2.gz GOFDTDIUJZTXRS-UHFFFAOYSA-N 0 0 429.511 5.480 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c(NC(=O)C(C)C)c1 ZINC000034735599 524947746 /nfs/dbraw/zinc/94/77/46/524947746.db2.gz FWUBNXKJBWYADF-UHFFFAOYSA-N 0 0 433.474 5.441 50 0 IKAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nc3cc(Cl)ccc3o2)no1 ZINC000021721468 524985755 /nfs/dbraw/zinc/98/57/55/524985755.db2.gz HHMYXSZOEWRPNY-UHFFFAOYSA-N 0 0 446.891 5.175 50 0 IKAARN COc1ccc(Oc2c(CN(C(C)=O)C3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000035970325 524989907 /nfs/dbraw/zinc/98/99/07/524989907.db2.gz KXVRXMRMJRGNAU-UHFFFAOYSA-N 0 0 425.916 5.146 50 0 IKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)NCc4ccccc4C)c3)cn2)cc1 ZINC000065057932 524996571 /nfs/dbraw/zinc/99/65/71/524996571.db2.gz CEYLHGDZVWGCBV-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3ccc(C(C)C)cc3)C2)nn1 ZINC000035398010 525005550 /nfs/dbraw/zinc/00/55/50/525005550.db2.gz HGAPWJBNOWVLBI-QHCPKHFHSA-N 0 0 428.580 5.108 50 0 IKAARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)ccc2o1 ZINC000001414893 525012178 /nfs/dbraw/zinc/01/21/78/525012178.db2.gz WKPNUZCRTLOILP-UHFFFAOYSA-N 0 0 428.875 6.969 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2)c(C)c1 ZINC000012447073 525022081 /nfs/dbraw/zinc/02/20/81/525022081.db2.gz NSSPQRJTHDCMBF-DEOSSOPVSA-N 0 0 426.495 5.720 50 0 IKAARN Cc1ccccc1-n1c(=S)n(CN2CCC[C@H]2c2cccs2)nc1-c1cccnc1 ZINC000012551043 525025116 /nfs/dbraw/zinc/02/51/16/525025116.db2.gz OLCWJOJHJJRGRF-FQEVSTJZSA-N 0 0 433.606 5.630 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4n3Cc3ccccc3C)CC2)cc1 ZINC000021160339 525029045 /nfs/dbraw/zinc/02/90/45/525029045.db2.gz HOZFOALIUUAOQC-UHFFFAOYSA-N 0 0 438.575 5.557 50 0 IKAARN Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017143762 525031317 /nfs/dbraw/zinc/03/13/17/525031317.db2.gz RCSRQVYQHMERDJ-UHFFFAOYSA-N 0 0 425.863 5.584 50 0 IKAARN C[C@@H](NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1 ZINC000012799010 525037234 /nfs/dbraw/zinc/03/72/34/525037234.db2.gz AXWZTEIHEJKHLP-DPTHPHEISA-N 0 0 437.337 5.314 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000024751772 525043107 /nfs/dbraw/zinc/04/31/07/525043107.db2.gz OSGUSINHLBYOSS-QFIPXVFZSA-N 0 0 447.604 5.211 50 0 IKAARN Cc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023332293 525048271 /nfs/dbraw/zinc/04/82/71/525048271.db2.gz HHKLZXQCPYSRPL-DEOSSOPVSA-N 0 0 449.392 5.305 50 0 IKAARN Cc1ccccc1C(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865789 525048515 /nfs/dbraw/zinc/04/85/15/525048515.db2.gz FMPKDIIEWVJQIJ-QGZVFWFLSA-N 0 0 448.636 5.210 50 0 IKAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000033115632 525050102 /nfs/dbraw/zinc/05/01/02/525050102.db2.gz SKWCAUVDDKZGQH-AREMUKBSSA-N 0 0 444.556 5.088 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(C(C)C)c4ccccc34)C2=O)cc1 ZINC000016293043 525050801 /nfs/dbraw/zinc/05/08/01/525050801.db2.gz CBICWRWLDBJFHZ-MTJSOVHGSA-N 0 0 433.533 5.206 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035928099 525063878 /nfs/dbraw/zinc/06/38/78/525063878.db2.gz NXGKTKZSQPYUPR-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927481 525064170 /nfs/dbraw/zinc/06/41/70/525064170.db2.gz UEDXZUSLDSCTMM-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882954 525064293 /nfs/dbraw/zinc/06/42/93/525064293.db2.gz DDOVLEBQPZTCCD-MZNJEOGPSA-N 0 0 444.506 5.265 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927482 525064697 /nfs/dbraw/zinc/06/46/97/525064697.db2.gz UEDXZUSLDSCTMM-SANMLTNESA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1C(C)C ZINC000035927551 525064935 /nfs/dbraw/zinc/06/49/35/525064935.db2.gz FEAWJHTXKRTCPT-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928493 525065030 /nfs/dbraw/zinc/06/50/30/525065030.db2.gz XYEQSVSCYXRKJS-VWLOTQADSA-N 0 0 431.561 5.092 50 0 IKAARN Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(Br)c1 ZINC000012694469 525068963 /nfs/dbraw/zinc/06/89/63/525068963.db2.gz QHTAZMSLQVTKEV-UHFFFAOYSA-N 0 0 442.284 5.145 50 0 IKAARN C[C@H]1S[C@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)N(c2ccccc2)C1=O ZINC000012417009 525075715 /nfs/dbraw/zinc/07/57/15/525075715.db2.gz BCXVBOSDFJJECZ-GYCJOSAFSA-N 0 0 434.948 5.208 50 0 IKAARN Cc1ccc(NC(=O)CSc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1C ZINC000017181027 525077156 /nfs/dbraw/zinc/07/71/56/525077156.db2.gz JCEKKQWULRUSCM-UHFFFAOYSA-N 0 0 448.975 6.196 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c(Cl)c1 ZINC000015500115 525080123 /nfs/dbraw/zinc/08/01/23/525080123.db2.gz QIIILHNCSPBGKW-UHFFFAOYSA-N 0 0 429.973 5.135 50 0 IKAARN Cc1cc(N2CCN(c3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000023114967 525083261 /nfs/dbraw/zinc/08/32/61/525083261.db2.gz LTSBDGTVMNBQEL-UHFFFAOYSA-N 0 0 437.469 5.050 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Br)cc1 ZINC000021407470 525095254 /nfs/dbraw/zinc/09/52/54/525095254.db2.gz GBERMSYFCKDADZ-CYBMUJFWSA-N 0 0 433.733 5.568 50 0 IKAARN Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000017102310 525101372 /nfs/dbraw/zinc/10/13/72/525101372.db2.gz BIPFTYMRDWWAFR-XNTDXEJSSA-N 0 0 438.527 6.769 50 0 IKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cc(C)ccc3C)c2=S)c(C)c1 ZINC000016769337 525106289 /nfs/dbraw/zinc/10/62/89/525106289.db2.gz ULTAPRQOAVOAHN-UHFFFAOYSA-N 0 0 442.588 5.943 50 0 IKAARN Cc1ccc(NC(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)cc1F ZINC000032950126 525121060 /nfs/dbraw/zinc/12/10/60/525121060.db2.gz JOQRSTACUBWJJF-UHFFFAOYSA-N 0 0 429.499 5.415 50 0 IKAARN Cc1cc(NC(=O)CCC2CCCCC2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000012442316 525123618 /nfs/dbraw/zinc/12/36/18/525123618.db2.gz SEPZEUBMORYTKE-UHFFFAOYSA-N 0 0 438.553 5.332 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021808667 525135218 /nfs/dbraw/zinc/13/52/18/525135218.db2.gz OJQMFILUECOAHD-QSEDJUOYSA-N 0 0 449.620 5.121 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c(Cl)c1 ZINC000021047441 525144973 /nfs/dbraw/zinc/14/49/73/525144973.db2.gz BMSQCTPBQGFWIU-HSZRJFAPSA-N 0 0 437.008 6.768 50 0 IKAARN Cc1ccccc1CN1[C@H](c2ccc(Br)cc2)Nc2ccccc2S1(=O)=O ZINC000021117876 525145638 /nfs/dbraw/zinc/14/56/38/525145638.db2.gz RHYXUTBXIBYFJB-OAQYLSRUSA-N 0 0 443.366 5.073 50 0 IKAARN Cc1cc(NC(=O)CN[C@H](c2cc3ccccc3o2)c2ccccc2)n(-c2ccccc2)n1 ZINC000012568005 525147376 /nfs/dbraw/zinc/14/73/76/525147376.db2.gz BTSOAFJXOSDQIR-MHZLTWQESA-N 0 0 436.515 5.245 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000021893620 525148581 /nfs/dbraw/zinc/14/85/81/525148581.db2.gz XNJIBNDZOJAGBU-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)c(C)c1 ZINC000021536540 525148598 /nfs/dbraw/zinc/14/85/98/525148598.db2.gz UDABTFGKYVASMH-AREMUKBSSA-N 0 0 443.497 6.509 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)c(C)c1 ZINC000021893931 525148723 /nfs/dbraw/zinc/14/87/23/525148723.db2.gz CMHJSABLSABQAB-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000021536113 525148926 /nfs/dbraw/zinc/14/89/26/525148926.db2.gz SNOGJNHEHCUWTD-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)cc1C ZINC000021893835 525149359 /nfs/dbraw/zinc/14/93/59/525149359.db2.gz HCQFQTWRBJFWNJ-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000021888669 525149560 /nfs/dbraw/zinc/14/95/60/525149560.db2.gz IYPIHOPDLWOSKN-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)ccc1Br ZINC000017011070 525158627 /nfs/dbraw/zinc/15/86/27/525158627.db2.gz IWYPMFQNZDBFPK-UHFFFAOYSA-N 0 0 437.746 5.797 50 0 IKAARN Cc1cc(NC(=O)Cc2ccc3nc(NC(=O)C(C)C)sc3c2)ccc1Br ZINC000032959771 525162971 /nfs/dbraw/zinc/16/29/71/525162971.db2.gz NDRZAWMSGIYNBT-UHFFFAOYSA-N 0 0 446.370 5.143 50 0 IKAARN Cc1ccccc1CNC(=O)c1ccc(N2Cc3ccccc3Oc3ncccc32)s1 ZINC000020597641 525166757 /nfs/dbraw/zinc/16/67/57/525166757.db2.gz TZBIVGVLUABEFM-UHFFFAOYSA-N 0 0 427.529 5.826 50 0 IKAARN COc1ccc([C@@H](CC(=O)Nc2cc(C)cc(C)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561206 525172070 /nfs/dbraw/zinc/17/20/70/525172070.db2.gz DXJCGDQLTVGZEI-HSZRJFAPSA-N 0 0 444.531 5.047 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c(C)c1 ZINC000021037712 525172236 /nfs/dbraw/zinc/17/22/36/525172236.db2.gz INVHIVDNXOHJLB-OAQYLSRUSA-N 0 0 432.911 5.918 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c(C)c1 ZINC000021038085 525172739 /nfs/dbraw/zinc/17/27/39/525172739.db2.gz RMFOWPGAWOAUQF-OAQYLSRUSA-N 0 0 432.911 5.918 50 0 IKAARN Cc1ccccc1COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000011866325 525173289 /nfs/dbraw/zinc/17/32/89/525173289.db2.gz RGPNHVAUHNXLQM-UHFFFAOYSA-N 0 0 436.433 6.422 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c(C)c1 ZINC000021038076 525180635 /nfs/dbraw/zinc/18/06/35/525180635.db2.gz RMFOWPGAWOAUQF-NRFANRHFSA-N 0 0 432.911 5.918 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033267761 525183386 /nfs/dbraw/zinc/18/33/86/525183386.db2.gz RYOGJYXWIBZWCZ-JOCHJYFZSA-N 0 0 443.547 5.756 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1Cl ZINC000033008210 525184883 /nfs/dbraw/zinc/18/48/83/525184883.db2.gz SHWOZZIRLCKYIO-UHFFFAOYSA-N 0 0 436.924 6.154 50 0 IKAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000035911016 525184985 /nfs/dbraw/zinc/18/49/85/525184985.db2.gz LMLMMZYFTFVJIU-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2ccccc2Cl)c2c[nH]c3ccccc32)cc1OC ZINC000033062332 525185927 /nfs/dbraw/zinc/18/59/27/525185927.db2.gz GDWKYAVJXUSKKF-GOSISDBHSA-N 0 0 449.938 5.792 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nc(-c4cccc(Br)c4)co3)cc2)cc1 ZINC000021363506 525186269 /nfs/dbraw/zinc/18/62/69/525186269.db2.gz QVSVALXYUVKOEF-UHFFFAOYSA-N 0 0 448.320 6.724 50 0 IKAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2C[C@@H](C)c1ccccc1 ZINC000035529548 525187481 /nfs/dbraw/zinc/18/74/81/525187481.db2.gz WGOXNBIZHSFGMB-QGZVFWFLSA-N 0 0 446.601 5.510 50 0 IKAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2C[C@H](C)c1ccccc1 ZINC000035529550 525188368 /nfs/dbraw/zinc/18/83/68/525188368.db2.gz WGOXNBIZHSFGMB-KRWDZBQOSA-N 0 0 446.601 5.510 50 0 IKAARN C[C@H](NC(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21)c1ccccc1 ZINC000034833893 525192436 /nfs/dbraw/zinc/19/24/36/525192436.db2.gz OXEYQBVVNURBSI-SFHVURJKSA-N 0 0 436.490 5.693 50 0 IKAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCC1=CCCCC1 ZINC000021869058 525197032 /nfs/dbraw/zinc/19/70/32/525197032.db2.gz ZQRWSIMBQUYPCT-MUUNZHRXSA-N 0 0 445.607 5.319 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1Cl ZINC000021855609 525198922 /nfs/dbraw/zinc/19/89/22/525198922.db2.gz HFUIOMZZXOELQS-AREMUKBSSA-N 0 0 449.982 5.158 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1C1CCCCC1 ZINC000021864564 525199978 /nfs/dbraw/zinc/19/99/78/525199978.db2.gz DOJUMOGRQBKUBV-AREMUKBSSA-N 0 0 437.584 5.134 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1[C@H]1CCCc2ccccc21 ZINC000020387410 525200011 /nfs/dbraw/zinc/20/00/11/525200011.db2.gz QPSKOJUHFZTYQF-LBNVMWSVSA-N 0 0 430.592 5.360 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1 ZINC000020903362 525201477 /nfs/dbraw/zinc/20/14/77/525201477.db2.gz ITKPJECNLAYIES-AREMUKBSSA-N 0 0 449.620 5.347 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000020387204 525202284 /nfs/dbraw/zinc/20/22/84/525202284.db2.gz JGTQPNHMBFKXTK-AREMUKBSSA-N 0 0 438.999 5.526 50 0 IKAARN COc1ccc([C@@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476839 525204115 /nfs/dbraw/zinc/20/41/15/525204115.db2.gz PKHOEMWHYIKXQW-XMMPIXPASA-N 0 0 443.572 6.222 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000021160372 525209422 /nfs/dbraw/zinc/20/94/22/525209422.db2.gz FSPOGNDXLQSZLN-UHFFFAOYSA-N 0 0 430.596 5.058 50 0 IKAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)no1 ZINC000021356708 525211740 /nfs/dbraw/zinc/21/17/40/525211740.db2.gz UHJSONUJALJVSC-CQSZACIVSA-N 0 0 445.928 5.128 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000021160264 525211983 /nfs/dbraw/zinc/21/19/83/525211983.db2.gz CHDQZAXXMMTYCL-ZJSXRUAMSA-N 0 0 444.623 5.304 50 0 IKAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1CCC1=CCCCC1 ZINC000021858160 525212809 /nfs/dbraw/zinc/21/28/09/525212809.db2.gz KVUASWKSNGDVIN-MUUNZHRXSA-N 0 0 441.575 5.063 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809672 525220743 /nfs/dbraw/zinc/22/07/43/525220743.db2.gz KPLWUHSVDDFYAD-VWLOTQADSA-N 0 0 435.593 5.269 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021808562 525220846 /nfs/dbraw/zinc/22/08/46/525220846.db2.gz RNNIMXJZBXJJCX-YKLWYRCFSA-N 0 0 435.593 5.125 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675468 525221867 /nfs/dbraw/zinc/22/18/67/525221867.db2.gz LIQGPJQEMCSCGX-AREMUKBSSA-N 0 0 433.552 5.191 50 0 IKAARN Cc1ccccc1N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000012789347 525223685 /nfs/dbraw/zinc/22/36/85/525223685.db2.gz IMEZPPJCDUPXPQ-UHFFFAOYSA-N 0 0 429.545 5.341 50 0 IKAARN Cc1cc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)ccc1Br ZINC000020531039 525230172 /nfs/dbraw/zinc/23/01/72/525230172.db2.gz BATSADVCTXWYDC-NRFANRHFSA-N 0 0 435.321 5.093 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)c(C)c1 ZINC000020939347 525238599 /nfs/dbraw/zinc/23/85/99/525238599.db2.gz JYYXFCWZOAOCFW-UHFFFAOYSA-N 0 0 446.576 5.712 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000012311912 525238764 /nfs/dbraw/zinc/23/87/64/525238764.db2.gz JWDWZEZMBQUAPC-QHCPKHFHSA-N 0 0 442.544 5.042 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cc(C)nc2C)cc1 ZINC000012602540 525239262 /nfs/dbraw/zinc/23/92/62/525239262.db2.gz PAHYCQZPTUXGFM-SANMLTNESA-N 0 0 438.531 5.040 50 0 IKAARN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nn1Cc1ccccc1F ZINC000020616298 525241538 /nfs/dbraw/zinc/24/15/38/525241538.db2.gz ZVHCINILFBSLMA-UHFFFAOYSA-N 0 0 445.523 5.340 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N[C@H]3c4ccccc4C(=O)N3CCC(C)C)cc2)cc1C ZINC000035730864 525241498 /nfs/dbraw/zinc/24/14/98/525241498.db2.gz UPSJPOZNQINVRQ-AREMUKBSSA-N 0 0 441.575 6.168 50 0 IKAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)nn1C(C)C ZINC000020616289 525242066 /nfs/dbraw/zinc/24/20/66/525242066.db2.gz YPWKADKTQCICGW-UHFFFAOYSA-N 0 0 433.459 5.444 50 0 IKAARN Cc1cc(NC(=O)c2ccc(Br)cc2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441713 525244896 /nfs/dbraw/zinc/24/48/96/525244896.db2.gz LPRXOXRNLOIYEU-UHFFFAOYSA-N 0 0 439.338 5.319 50 0 IKAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000012547271 525247361 /nfs/dbraw/zinc/24/73/61/525247361.db2.gz NFMOZXUGUGLRGH-KRWDZBQOSA-N 0 0 437.927 5.633 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000021624415 525248086 /nfs/dbraw/zinc/24/80/86/525248086.db2.gz DHPCGPCARNXPCJ-NVQXNPDNSA-N 0 0 442.559 5.064 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021536498 525250745 /nfs/dbraw/zinc/25/07/45/525250745.db2.gz LKDWJHVBICOXEJ-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccc(C)cc4C)C3)s2)cc1 ZINC000033113328 525262564 /nfs/dbraw/zinc/26/25/64/525262564.db2.gz OTUSULDSJLKHBJ-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccccc1NC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035350 525264666 /nfs/dbraw/zinc/26/46/66/525264666.db2.gz KBMORFZJEUQDIZ-NRFANRHFSA-N 0 0 447.966 6.312 50 0 IKAARN Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1I ZINC000012901247 525265247 /nfs/dbraw/zinc/26/52/47/525265247.db2.gz HFMZAXKFNZZNEH-UHFFFAOYSA-N 0 0 433.245 5.024 50 0 IKAARN C[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cc(F)c(Cl)cc1Cl ZINC000012691529 525265438 /nfs/dbraw/zinc/26/54/38/525265438.db2.gz NFRGXNSTJKBTRP-NSHDSACASA-N 0 0 426.706 5.522 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1OC ZINC000012437278 525270667 /nfs/dbraw/zinc/27/06/67/525270667.db2.gz VSTGRFASKVXDLM-CUBQBAPOSA-N 0 0 436.511 6.099 50 0 IKAARN COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012193977 525270680 /nfs/dbraw/zinc/27/06/80/525270680.db2.gz RSQJJSXNXBRMGB-UPVQGACJSA-N 0 0 439.342 6.553 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000012195484 525271126 /nfs/dbraw/zinc/27/11/26/525271126.db2.gz RPSKPZUATCCQOV-BWKNWUBXSA-N 0 0 434.923 5.908 50 0 IKAARN Cc1ccccc1Nc1c(-c2ccc(OC(F)(F)C(F)F)cc2)nc2ccc(Cl)cn21 ZINC000035606523 525273647 /nfs/dbraw/zinc/27/36/47/525273647.db2.gz LIJXEBPXCRNNOJ-UHFFFAOYSA-N 0 0 449.835 6.943 50 0 IKAARN C[C@H](NC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl)c1ccccc1 ZINC000022023343 525273764 /nfs/dbraw/zinc/27/37/64/525273764.db2.gz ZDQLWAGHWUQQHJ-ZDUSSCGKSA-N 0 0 444.844 5.560 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2OC)cc1 ZINC000021879907 525277056 /nfs/dbraw/zinc/27/70/56/525277056.db2.gz OIOQNNZXASNPDE-RUZDIDTESA-N 0 0 427.504 5.365 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NCc2ccco2)cc1 ZINC000020938882 525277432 /nfs/dbraw/zinc/27/74/32/525277432.db2.gz KAMYHODUSADONU-HSZRJFAPSA-N 0 0 435.911 5.280 50 0 IKAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3N(c4ccccc4)N=NN32)cc1 ZINC000012612156 525278095 /nfs/dbraw/zinc/27/80/95/525278095.db2.gz CQBOKXANAISWSI-HSZRJFAPSA-N 0 0 435.491 5.384 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035671772 525280930 /nfs/dbraw/zinc/28/09/30/525280930.db2.gz DYGVRHINYPTECA-UHFFFAOYSA-N 0 0 443.528 5.388 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(F)cc2)cc1 ZINC000021892275 525281182 /nfs/dbraw/zinc/28/11/82/525281182.db2.gz SYHPPMFFOLQEOZ-AREMUKBSSA-N 0 0 441.506 5.440 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(C)cc2)cc1 ZINC000021892245 525281622 /nfs/dbraw/zinc/28/16/22/525281622.db2.gz RJGWYIPBABRBGX-HHHXNRCGSA-N 0 0 437.543 5.609 50 0 IKAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000022672621 525281796 /nfs/dbraw/zinc/28/17/96/525281796.db2.gz ZKCTXOYDONMWNH-HFJWLAOPSA-N 0 0 439.596 5.649 50 0 IKAARN COc1ccc([C@@](O)(CCC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446975 525283493 /nfs/dbraw/zinc/28/34/93/525283493.db2.gz BKARIVRTTVHMED-RPBOFIJWSA-N 0 0 432.004 5.088 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 ZINC000020532858 525307152 /nfs/dbraw/zinc/30/71/52/525307152.db2.gz CDESJGAECFNCKS-UHFFFAOYSA-N 0 0 443.978 7.490 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)CC3CCCCC3)cc12 ZINC000020532833 525308506 /nfs/dbraw/zinc/30/85/06/525308506.db2.gz FNLBHFKFXPEPEY-UHFFFAOYSA-N 0 0 441.497 7.215 50 0 IKAARN Cc1ccc(N[C@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 ZINC000035031325 525318549 /nfs/dbraw/zinc/31/85/49/525318549.db2.gz YAWXGPAFXBXPKZ-YCEFEEMOSA-N 0 0 449.850 6.599 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3nc(C)ccn32)cc1 ZINC000035606381 525320485 /nfs/dbraw/zinc/32/04/85/525320485.db2.gz BIINCYNXCNHUTJ-UHFFFAOYSA-N 0 0 442.607 7.057 50 0 IKAARN Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nc(C)n2)cc1 ZINC000021793916 525321936 /nfs/dbraw/zinc/32/19/36/525321936.db2.gz YDHFYDYTVSXUGB-UHFFFAOYSA-N 0 0 443.595 5.097 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)nc(C)n2)cc1 ZINC000021794938 525323891 /nfs/dbraw/zinc/32/38/91/525323891.db2.gz YGLKBOAXXLABRK-UHFFFAOYSA-N 0 0 445.548 5.381 50 0 IKAARN Cc1ccc(Nc2nc(C)c(NC(=O)c3cccc(C)c3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000021152991 525324558 /nfs/dbraw/zinc/32/45/58/525324558.db2.gz YNFKBEBYEQSOEV-UHFFFAOYSA-N 0 0 437.547 6.450 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)NCc3ccc(OC(C)C)cc3)nc3ccccc32)cc1 ZINC000035429838 525324636 /nfs/dbraw/zinc/32/46/36/525324636.db2.gz WFFKGBHHJRFEMH-UHFFFAOYSA-N 0 0 426.520 5.399 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccccc3Br)nc3ccccc32)cc1 ZINC000035429670 525324678 /nfs/dbraw/zinc/32/46/78/525324678.db2.gz XORRMGSGNYTSSA-UHFFFAOYSA-N 0 0 433.309 5.697 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2cc(C)cc(C)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561208 525344719 /nfs/dbraw/zinc/34/47/19/525344719.db2.gz DXJCGDQLTVGZEI-QHCPKHFHSA-N 0 0 444.531 5.047 50 0 IKAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4cccc(C)c4)nc4ccccc43)CC2)cc1 ZINC000000650766 534849723 /nfs/dbraw/zinc/84/97/23/534849723.db2.gz LCSUHRVLLIAXRW-UHFFFAOYSA-N 0 0 449.554 5.375 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2cccc(SC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560681 525346673 /nfs/dbraw/zinc/34/66/73/525346673.db2.gz PBGWIYFYGHPQDE-QHCPKHFHSA-N 0 0 432.545 5.143 50 0 IKAARN 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)[C@H]2O ZINC000253497853 525349885 /nfs/dbraw/zinc/34/98/85/525349885.db2.gz QUYCEUJYTAJEMW-YFBNWJKVSA-N 0 0 448.569 6.463 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000012631338 525350116 /nfs/dbraw/zinc/35/01/16/525350116.db2.gz SJVGQUXDFODSJJ-SZPZYZBQSA-N 0 0 448.566 6.336 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001142063 525351700 /nfs/dbraw/zinc/35/17/00/525351700.db2.gz SSLALFCPSPIGGL-OAHLLOKOSA-N 0 0 443.330 5.502 50 0 IKAARN Cc1cc(OCC(=O)N2CCCc3ccccc32)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000012621316 525359381 /nfs/dbraw/zinc/35/93/81/525359381.db2.gz BWMTVHBXDHVNON-UHFFFAOYSA-N 0 0 425.484 5.127 50 0 IKAARN Cc1cc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)ccc1Cl ZINC000012539350 525369028 /nfs/dbraw/zinc/36/90/28/525369028.db2.gz COGUNWOPEMVFSJ-UHFFFAOYSA-N 0 0 437.927 5.332 50 0 IKAARN Cc1cc(OCCCC(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1Cl ZINC000015354742 525370239 /nfs/dbraw/zinc/37/02/39/525370239.db2.gz RXLOOBJVUKHSLU-UHFFFAOYSA-N 0 0 445.943 5.218 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC000014360609 525373184 /nfs/dbraw/zinc/37/31/84/525373184.db2.gz NRWXKNFNGGMSRJ-CALCHBBNSA-N 0 0 431.985 5.294 50 0 IKAARN C[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cc(F)c(Cl)cc1Cl ZINC000012691523 525374203 /nfs/dbraw/zinc/37/42/03/525374203.db2.gz NFRGXNSTJKBTRP-LLVKDONJSA-N 0 0 426.706 5.522 50 0 IKAARN C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1 ZINC000012822593 525375057 /nfs/dbraw/zinc/37/50/57/525375057.db2.gz DSFMIMVRUFJMJF-GFCCVEGCSA-N 0 0 427.348 5.401 50 0 IKAARN COc1ccc([C@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476838 525375834 /nfs/dbraw/zinc/37/58/34/525375834.db2.gz PKHOEMWHYIKXQW-DEOSSOPVSA-N 0 0 443.572 6.222 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Nc3cccc(C(F)(F)F)c3)nc3ccccc32)C1 ZINC000020731902 525378314 /nfs/dbraw/zinc/37/83/14/525378314.db2.gz QIVRJMIGUDDMPJ-IYBDPMFKSA-N 0 0 427.470 6.115 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(F)ccc1F ZINC000021536854 525396721 /nfs/dbraw/zinc/39/67/21/525396721.db2.gz DRTOLIBSLIBZRQ-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020486812 525399298 /nfs/dbraw/zinc/39/92/98/525399298.db2.gz MHNOVMBREZXKDI-UHFFFAOYSA-N 0 0 431.433 5.110 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)c(OC)c1OC ZINC000000681747 525403139 /nfs/dbraw/zinc/40/31/39/525403139.db2.gz JTZLURJVUBGJAE-OAHLLOKOSA-N 0 0 442.309 5.102 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000021791216 525412240 /nfs/dbraw/zinc/41/22/40/525412240.db2.gz HXYVQPRFAKGLJC-OAQYLSRUSA-N 0 0 448.473 5.320 50 0 IKAARN COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)c2ccccc12 ZINC000020728788 525415771 /nfs/dbraw/zinc/41/57/71/525415771.db2.gz LQKDNTCCNBXOHV-ISKFKSNPSA-N 0 0 434.923 5.946 50 0 IKAARN COc1ccc([C@H]2CCCN2Cn2nc(-c3cc(Cl)ccc3OC)[nH]c2=S)cc1 ZINC000012787488 525416156 /nfs/dbraw/zinc/41/61/56/525416156.db2.gz ITUZMLGFRVCXPT-GOSISDBHSA-N 0 0 430.961 5.073 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000012650355 525424635 /nfs/dbraw/zinc/42/46/35/525424635.db2.gz NYUBBSBYZVUOFY-RGVLZGJSSA-N 0 0 433.533 5.077 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)NCc1ccccc1 ZINC000017121867 525425046 /nfs/dbraw/zinc/42/50/46/525425046.db2.gz CIOYIRSTZYUCNJ-UHFFFAOYSA-N 0 0 428.605 5.299 50 0 IKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)Cc4ccccc4)cc3s2)cc1 ZINC000020895144 525425280 /nfs/dbraw/zinc/42/52/80/525425280.db2.gz HLJTXTVPIREFES-UHFFFAOYSA-N 0 0 434.586 5.957 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3n(Cc3ccc(Br)cc3)c2=N)cc1 ZINC000021548832 525427109 /nfs/dbraw/zinc/42/71/09/525427109.db2.gz AIACRHWHKWJVKP-UHFFFAOYSA-N 0 0 436.353 5.120 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000012539544 525427216 /nfs/dbraw/zinc/42/72/16/525427216.db2.gz UNIQNTZJRIINJI-NRFANRHFSA-N 0 0 443.522 5.079 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1 ZINC000016977204 525428770 /nfs/dbraw/zinc/42/87/70/525428770.db2.gz GCKRXFLQQAGTPA-UHFFFAOYSA-N 0 0 441.959 6.304 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](Nc1ccccc1F)c1ccccn1 ZINC000021659626 525430521 /nfs/dbraw/zinc/43/05/21/525430521.db2.gz BIQUFAGVCWJJHI-VWLOTQADSA-N 0 0 440.478 6.057 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](Nc1cc(C)ccn1)c1ccccn1 ZINC000021659624 525430637 /nfs/dbraw/zinc/43/06/37/525430637.db2.gz FPNUDDKOIGOCIH-RUZDIDTESA-N 0 0 437.503 5.622 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@@H](Nc1cccc(C)n1)c1ccccn1 ZINC000021805671 525430839 /nfs/dbraw/zinc/43/08/39/525430839.db2.gz GEHFKRATFUUQHB-MHZLTWQESA-N 0 0 447.542 6.029 50 0 IKAARN COc1ccc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)c(OC)c1OC ZINC000016215740 525430994 /nfs/dbraw/zinc/43/09/94/525430994.db2.gz PDLSYQWSTDVRAT-VWLOTQADSA-N 0 0 441.487 5.032 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@H](Nc1ccccn1)c1ccccn1 ZINC000015859766 525431069 /nfs/dbraw/zinc/43/10/69/525431069.db2.gz XZFPDVBPLGUEQV-XMMPIXPASA-N 0 0 439.544 5.782 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012192648 525432573 /nfs/dbraw/zinc/43/25/73/525432573.db2.gz CFFDPDSOSCFBFQ-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1cc(SCC(=O)N[C@@H]2CCCc3ccccc32)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268973 525433110 /nfs/dbraw/zinc/43/31/10/525433110.db2.gz POQSWQWCKIHGGR-JOCHJYFZSA-N 0 0 446.551 5.130 50 0 IKAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000012196774 525432869 /nfs/dbraw/zinc/43/28/69/525432869.db2.gz TXROMJPSJISKAU-NBGIEHNGSA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012193980 525432891 /nfs/dbraw/zinc/43/28/91/525432891.db2.gz RSQJJSXNXBRMGB-LADGPHEKSA-N 0 0 439.342 6.553 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000015724972 525437722 /nfs/dbraw/zinc/43/77/22/525437722.db2.gz BXWCZQCLUGYUII-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Cl)=CC(Cl)=CN32)cc1 ZINC000012821466 525438681 /nfs/dbraw/zinc/43/86/81/525438681.db2.gz TUARZLAMULEFDZ-NRFANRHFSA-N 0 0 437.330 5.841 50 0 IKAARN Cc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000012561478 525439558 /nfs/dbraw/zinc/43/95/58/525439558.db2.gz OOJODHAHDJENCN-QHCPKHFHSA-N 0 0 445.588 5.392 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021892266 525443238 /nfs/dbraw/zinc/44/32/38/525443238.db2.gz XRWAPSFQDMXXFE-VWLOTQADSA-N 0 0 445.469 5.901 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021892181 525443492 /nfs/dbraw/zinc/44/34/92/525443492.db2.gz DLVRIUNTWPOTIJ-VWLOTQADSA-N 0 0 427.479 5.762 50 0 IKAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000012344249 525443502 /nfs/dbraw/zinc/44/35/02/525443502.db2.gz ZNOWYEAAYHOXKD-NRFANRHFSA-N 0 0 446.334 5.449 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(C)cc2)cc1 ZINC000021892242 525443511 /nfs/dbraw/zinc/44/35/11/525443511.db2.gz RJGWYIPBABRBGX-MHZLTWQESA-N 0 0 437.543 5.609 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccccc4)[C@@]2(C)C3(Cl)Cl)cc1OC ZINC000012656596 525447120 /nfs/dbraw/zinc/44/71/20/525447120.db2.gz BSUGGWNAIDDENT-SMIHKQSGSA-N 0 0 441.354 6.317 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3nc(-c4ccccc4)cs3)cs2)cc1C ZINC000015835200 525447776 /nfs/dbraw/zinc/44/77/76/525447776.db2.gz UUQHMZXUMHCCEC-UHFFFAOYSA-N 0 0 435.574 5.644 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000021894085 525448187 /nfs/dbraw/zinc/44/81/87/525448187.db2.gz NOEURCJVJUXHKR-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(Cn2cccn2)c1 ZINC000012304393 525448823 /nfs/dbraw/zinc/44/88/23/525448823.db2.gz MWADVORJVGCRHL-NDEPHWFRSA-N 0 0 446.554 5.509 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1)[C@@H]3c1ccc(C)cc1 ZINC000015725473 525480866 /nfs/dbraw/zinc/48/08/66/525480866.db2.gz UWFWLUFAWGJVRC-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)NC3CCCCC3)c2c1 ZINC000016977479 525480991 /nfs/dbraw/zinc/48/09/91/525480991.db2.gz LOVPELOKAYYJTQ-UHFFFAOYSA-N 0 0 425.598 5.330 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1)[C@@H]3c1ccc(F)cc1 ZINC000021880103 525481115 /nfs/dbraw/zinc/48/11/15/525481115.db2.gz QYQBZGMTPIKYFV-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C=C(C)C)[C@H]3c1cc(Br)cs1 ZINC000023438611 525481473 /nfs/dbraw/zinc/48/14/73/525481473.db2.gz HCFNDVOFTWJTNQ-NRFANRHFSA-N 0 0 445.382 5.441 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(OC)c1)[C@@H]3c1ccc(F)cc1 ZINC000021880086 525483673 /nfs/dbraw/zinc/48/36/73/525483673.db2.gz HGCPQYJLCQBFMK-RUZDIDTESA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(Cl)c1)[C@H]3c1ccc(C)cc1 ZINC000015725435 525483931 /nfs/dbraw/zinc/48/39/31/525483931.db2.gz TWCWCMQXRIEHJW-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(N(C)C)cc1)[C@H]3c1ccc(F)cc1 ZINC000021779979 525483970 /nfs/dbraw/zinc/48/39/70/525483970.db2.gz VJUQQLGJGQNREX-SANMLTNESA-N 0 0 443.522 5.170 50 0 IKAARN COc1ccc2[nH]cc(CCNC(=O)c3sc(-c4ccccc4Cl)nc3C)c2c1 ZINC000012406988 525494146 /nfs/dbraw/zinc/49/41/46/525494146.db2.gz PYALPOWFCACIAQ-UHFFFAOYSA-N 0 0 425.941 5.234 50 0 biogenic IKAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCC[C@@H]3c3ccc(OC)c4ccccc43)c2c1 ZINC000020729509 525495036 /nfs/dbraw/zinc/49/50/36/525495036.db2.gz YZGSNPDDOYRMNG-NOZRDPDXSA-N 0 0 430.504 5.301 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3coc(-c4cccs4)n3)cc2)cc1 ZINC000021221454 525501205 /nfs/dbraw/zinc/50/12/05/525501205.db2.gz VOVAKRCPEMOPQM-UHFFFAOYSA-N 0 0 440.546 5.116 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1cccc(F)c1 ZINC000017094272 525506598 /nfs/dbraw/zinc/50/65/98/525506598.db2.gz FYPMMFZMBMZASG-UHFFFAOYSA-N 0 0 425.290 6.908 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000035685014 525508692 /nfs/dbraw/zinc/50/86/92/525508692.db2.gz FWNVGWNSPCHUKE-INIZCTEOSA-N 0 0 448.376 5.068 50 0 IKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000017094473 525508855 /nfs/dbraw/zinc/50/88/55/525508855.db2.gz IFSDCXHLQZLLAX-UHFFFAOYSA-N 0 0 425.507 5.312 50 0 IKAARN Cc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000012372623 525509440 /nfs/dbraw/zinc/50/94/40/525509440.db2.gz YOLKKRUWLARTSC-UHFFFAOYSA-N 0 0 441.534 7.140 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000012686425 525527504 /nfs/dbraw/zinc/52/75/04/525527504.db2.gz AIJWWTCXZQUQBD-JOCHJYFZSA-N 0 0 449.016 5.201 50 0 IKAARN C[C@@H](NCc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2 ZINC000040088626 525527758 /nfs/dbraw/zinc/52/77/58/525527758.db2.gz KPBZRCJKPDSJET-MRXNPFEDSA-N 0 0 428.939 5.227 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476947 525538419 /nfs/dbraw/zinc/53/84/19/525538419.db2.gz DPLHREKDPUQNBV-NRFANRHFSA-N 0 0 429.549 5.312 50 0 IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(SC)c3)CC1)c1cccn1-2 ZINC000035446998 525550371 /nfs/dbraw/zinc/55/03/71/525550371.db2.gz XWZMHSWLECDQNM-UHFFFAOYSA-N 0 0 434.565 5.157 50 0 biogenic IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(Cl)c3C)CC1)c1cccn1-2 ZINC000035446904 525551545 /nfs/dbraw/zinc/55/15/45/525551545.db2.gz DNWCXTRCHXFONK-UHFFFAOYSA-N 0 0 436.943 5.396 50 0 biogenic IKAARN CSCC[C@@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1nc2ccccc2[nH]1 ZINC000012534954 525553220 /nfs/dbraw/zinc/55/32/20/525553220.db2.gz FSPMPQXAVKJWFE-MRXNPFEDSA-N 0 0 428.608 5.281 50 0 IKAARN C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(Cl)cc1 ZINC000012739527 525560066 /nfs/dbraw/zinc/56/00/66/525560066.db2.gz UNAUDTFDRASUOL-GFCCVEGCSA-N 0 0 430.360 5.809 50 0 IKAARN Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274515 525562748 /nfs/dbraw/zinc/56/27/48/525562748.db2.gz MCRAVGQTAXAICN-UHFFFAOYSA-N 0 0 443.894 5.314 50 0 IKAARN Cc1c(C(=O)N2CCCC[C@H]2c2cccnc2)sc2ncnc(N3CCCCCC3)c12 ZINC000012573013 525572684 /nfs/dbraw/zinc/57/26/84/525572684.db2.gz BSDXOEHYTNBZJT-IBGZPJMESA-N 0 0 435.597 5.143 50 0 IKAARN Cc1ccc(S(=O)(=O)NCc2c(Cl)cccc2Sc2ccc(Cl)cc2)cc1 ZINC000012340486 525577202 /nfs/dbraw/zinc/57/72/02/525577202.db2.gz XIEREOXOKRWKBY-UHFFFAOYSA-N 0 0 438.401 5.932 50 0 IKAARN COc1ccc2c(c1)c(/C=C\c1nc3ccccc3c(=O)n1-c1ccc(C)cc1)c(C)n2C ZINC000033400984 525600290 /nfs/dbraw/zinc/60/02/90/525600290.db2.gz FCDBSNBZGUXCOZ-PEZBUJJGSA-N 0 0 435.527 5.673 50 0 IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@H]21 ZINC000012880788 525611689 /nfs/dbraw/zinc/61/16/89/525611689.db2.gz AJRXQQMYPFLZEZ-MZNJEOGPSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885410 525611775 /nfs/dbraw/zinc/61/17/75/525611775.db2.gz YSIAFHXLGGRUPX-HNNXBMFYSA-N 0 0 438.886 5.041 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885291 525611990 /nfs/dbraw/zinc/61/19/90/525611990.db2.gz MVMFEFNIBNYICY-HNNXBMFYSA-N 0 0 438.886 5.041 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(C2CCCCC2)C3=O)o1 ZINC000015675835 525618420 /nfs/dbraw/zinc/61/84/20/525618420.db2.gz KOKODRAZXGXPNO-AREMUKBSSA-N 0 0 439.600 5.319 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(c2ccc(C)cc2)C3=O)o1 ZINC000021526830 525618646 /nfs/dbraw/zinc/61/86/46/525618646.db2.gz NOUPIWQWGNSKBP-SANMLTNESA-N 0 0 433.552 5.109 50 0 IKAARN C[C@@H]1S[C@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)N(c2ccccc2)C1=O ZINC000012417011 525625760 /nfs/dbraw/zinc/62/57/60/525625760.db2.gz BCXVBOSDFJJECZ-FYSMJZIKSA-N 0 0 434.948 5.208 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2Cl)cc1 ZINC000012123857 525629698 /nfs/dbraw/zinc/62/96/98/525629698.db2.gz ZJAVFBWHJVZARR-JOCHJYFZSA-N 0 0 433.356 6.090 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000012338509 525629710 /nfs/dbraw/zinc/62/97/10/525629710.db2.gz OATUGQVRSFARFU-WDJPJFJCSA-N 0 0 440.609 5.172 50 0 IKAARN Cc1ccc(SC(Sc2ccc(C)cc2)=C2N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000041154849 525640595 /nfs/dbraw/zinc/64/05/95/525640595.db2.gz UMWHLHMPTMLSFZ-UHFFFAOYSA-N 0 0 431.582 6.669 50 0 IKAARN Cc1ccc(SCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c(C)c1 ZINC000012687007 525650224 /nfs/dbraw/zinc/65/02/24/525650224.db2.gz OSPDVYBPVGXLDU-UHFFFAOYSA-N 0 0 436.558 5.104 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(F)cc1)O3 ZINC000020418121 525655282 /nfs/dbraw/zinc/65/52/82/525655282.db2.gz MZAUDHSLYXHIAR-SANMLTNESA-N 0 0 447.437 6.152 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274503 525656032 /nfs/dbraw/zinc/65/60/32/525656032.db2.gz VSWFEJGVMREIRC-UHFFFAOYSA-N 0 0 447.857 5.429 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3c(F)cccc3Cl)sc2c1 ZINC000021660588 525656810 /nfs/dbraw/zinc/65/68/10/525656810.db2.gz ZJSOFTJWZRZNIB-GFCCVEGCSA-N 0 0 442.903 5.066 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OC(C)C)cc3)sc2c1 ZINC000033271622 525656853 /nfs/dbraw/zinc/65/68/53/525656853.db2.gz XTYAFKJBSJSJQJ-GOSISDBHSA-N 0 0 448.548 5.060 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900659 525658347 /nfs/dbraw/zinc/65/83/47/525658347.db2.gz ISBBZTXITVFEJW-UHFFFAOYSA-N 0 0 425.431 5.940 50 0 biogenic IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000020464760 525659925 /nfs/dbraw/zinc/65/99/25/525659925.db2.gz CSYJGZJABGOGDU-UHFFFAOYSA-N 0 0 443.421 6.290 50 0 biogenic IKAARN Cc1c(C(=O)Nc2ccccc2Cl)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490027 525660682 /nfs/dbraw/zinc/66/06/82/525660682.db2.gz AJJJCPHZPLBPPO-UHFFFAOYSA-N 0 0 431.923 5.813 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274484 525661148 /nfs/dbraw/zinc/66/11/48/525661148.db2.gz CDDIXYPIOGRMNT-UHFFFAOYSA-N 0 0 443.894 5.598 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274476 525661273 /nfs/dbraw/zinc/66/12/73/525661273.db2.gz FYPJNQYUCMDHFE-UHFFFAOYSA-N 0 0 447.857 5.429 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2cc1C ZINC000021578847 525666409 /nfs/dbraw/zinc/66/64/09/525666409.db2.gz BLMYCQBSFKCXKH-UHFFFAOYSA-N 0 0 448.950 6.870 50 0 IKAARN Cc1c(C)c(C)c(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C)c1C ZINC000012339675 525671722 /nfs/dbraw/zinc/67/17/22/525671722.db2.gz VGFSFWMXEAQMNV-UHFFFAOYSA-N 0 0 440.370 7.019 50 0 IKAARN COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccc3)sc2c1 ZINC000002438725 525673042 /nfs/dbraw/zinc/67/30/42/525673042.db2.gz BNBKPROVSZITHM-OAQYLSRUSA-N 0 0 440.480 5.161 50 0 IKAARN Cc1ccc(Sc2nc3ccccc3cc2/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000021596671 525673297 /nfs/dbraw/zinc/67/32/97/525673297.db2.gz XDWZIQIGWXWAML-LFVJCYFKSA-N 0 0 436.536 6.347 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cc3F)C2)cc1 ZINC000033288485 525673680 /nfs/dbraw/zinc/67/36/80/525673680.db2.gz IIKRHELHDBQHMS-GOSISDBHSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)c(F)c3)C2)cc1 ZINC000033288472 525673968 /nfs/dbraw/zinc/67/39/68/525673968.db2.gz OFLUOUFTJARZIG-SFHVURJKSA-N 0 0 436.556 5.239 50 0 IKAARN COc1ccc2nc(NC(=O)NC34C[C@@H]5C[C@H](C3)CC(c3ccc(C)cc3)(C5)C4)sc2c1 ZINC000012377773 525674434 /nfs/dbraw/zinc/67/44/34/525674434.db2.gz KVENMYLNZBETLA-LJQDGHHOSA-N 0 0 447.604 6.025 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000033168702 525674461 /nfs/dbraw/zinc/67/44/61/525674461.db2.gz NSJARNNMXHZTLQ-HXUWFJFHSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000033288460 525674563 /nfs/dbraw/zinc/67/45/63/525674563.db2.gz ZIKZHBROYWGVRM-HXUWFJFHSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000033288453 525674626 /nfs/dbraw/zinc/67/46/26/525674626.db2.gz QFNFGVXXSCWXCW-HXUWFJFHSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3)cc(=O)n2o1 ZINC000041089714 525676111 /nfs/dbraw/zinc/67/61/11/525676111.db2.gz VTSKPMDWUULXGP-UHFFFAOYSA-N 0 0 434.521 5.149 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4cc(C)ccc4C)cc3)cc(=O)n2o1 ZINC000041089713 525676261 /nfs/dbraw/zinc/67/62/61/525676261.db2.gz IGCQICWBTZDBQW-UHFFFAOYSA-N 0 0 434.521 5.149 50 0 IKAARN Cc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccccc3)s2)cc1 ZINC000041154347 525676855 /nfs/dbraw/zinc/67/68/55/525676855.db2.gz YBTPVTTVHHOPSV-UHFFFAOYSA-N 0 0 427.554 6.987 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3cccc(C)c3)nc(N3CCCCC3)c12 ZINC000033279987 525678281 /nfs/dbraw/zinc/67/82/81/525678281.db2.gz HNXKORVARCEISU-UHFFFAOYSA-N 0 0 439.563 5.588 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccc(F)c2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012408622 525681493 /nfs/dbraw/zinc/68/14/93/525681493.db2.gz AIVWDKQTTVIGEW-UHFFFAOYSA-N 0 0 432.492 5.049 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2F)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012389033 525681570 /nfs/dbraw/zinc/68/15/70/525681570.db2.gz JKHLKQAREZBXDH-UHFFFAOYSA-N 0 0 432.492 5.049 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4cccc(F)c4)c3c2c1 ZINC000020996488 525681821 /nfs/dbraw/zinc/68/18/21/525681821.db2.gz QUKDMDBHOKELMP-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc12 ZINC000020616400 525685254 /nfs/dbraw/zinc/68/52/54/525685254.db2.gz XPRRSQQPKQECMO-UHFFFAOYSA-N 0 0 435.531 5.199 50 0 IKAARN Cc1cc2oc(=O)cc(CSc3nnc(COc4ccccc4Cl)o3)c2cc1C ZINC000012676166 525689722 /nfs/dbraw/zinc/68/97/22/525689722.db2.gz XFUSUVXPPCTGDY-UHFFFAOYSA-N 0 0 428.897 5.318 50 0 IKAARN Cc1cc2oc(=O)cc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)c2cc1C(C)C ZINC000012822063 525690569 /nfs/dbraw/zinc/69/05/69/525690569.db2.gz UYKNICPAVQKHHV-UHFFFAOYSA-N 0 0 429.303 5.290 50 0 IKAARN Cc1cc2occ(CC(=O)OCc3cn(-c4ccccc4)nc3-c3ccccc3)c2cc1C ZINC000012684586 525698164 /nfs/dbraw/zinc/69/81/64/525698164.db2.gz YGJIZLJDVCYDIS-UHFFFAOYSA-N 0 0 436.511 6.188 50 0 IKAARN COc1cccc(-c2cc(C(=O)NCCc3ccccc3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000035708751 525701734 /nfs/dbraw/zinc/70/17/34/525701734.db2.gz XBCRLNKRFPYEIY-UHFFFAOYSA-N 0 0 431.923 5.174 50 0 IKAARN COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)c1 ZINC000020602905 525704411 /nfs/dbraw/zinc/70/44/11/525704411.db2.gz YEJWRBCJTNCJDX-UHFFFAOYSA-N 0 0 441.459 5.065 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc4c(c3)NC(=O)CO4)nc3c2COc2ccc(F)cc2-3)cc1 ZINC000020847463 525714394 /nfs/dbraw/zinc/71/43/94/525714394.db2.gz AKXKIZBAJRTRIF-UHFFFAOYSA-N 0 0 438.458 5.753 50 0 IKAARN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cccc(F)c3F)CC2)c1 ZINC000012576642 525715895 /nfs/dbraw/zinc/71/58/95/525715895.db2.gz GOXRTALNOKECMV-UHFFFAOYSA-N 0 0 436.502 5.491 50 0 IKAARN COc1cccc(-c2csc(-c3c(N)c(C(=O)c4ccc(F)cc4)n4ccccc34)n2)c1 ZINC000020441862 525718200 /nfs/dbraw/zinc/71/82/00/525718200.db2.gz MSBRPZUIXABQHY-UHFFFAOYSA-N 0 0 443.503 5.691 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C(C)(C)C)cc3)no2)cc1C ZINC000015833083 525718472 /nfs/dbraw/zinc/71/84/72/525718472.db2.gz VVJIQAXGRSBBDD-UHFFFAOYSA-N 0 0 442.559 6.692 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025190 525718336 /nfs/dbraw/zinc/71/83/36/525718336.db2.gz JJEUKYXGNUVZNT-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)CCCc3ccccc3)n2)c1 ZINC000012442123 525718842 /nfs/dbraw/zinc/71/88/42/525718842.db2.gz VKQLHILUIPUHIL-UHFFFAOYSA-N 0 0 432.549 5.274 50 0 IKAARN Cc1ccnc2nc(C(=O)N(c3nc4ccccc4s3)c3ccccc3C(C)C)nn21 ZINC000012773965 525719167 /nfs/dbraw/zinc/71/91/67/525719167.db2.gz NHZJAIIEWAGFBU-UHFFFAOYSA-N 0 0 428.521 5.144 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2cccc(NC(=O)c3ccccc3F)c2)c1 ZINC000037396462 525726354 /nfs/dbraw/zinc/72/63/54/525726354.db2.gz ZGXDAPXLZCIHMC-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(-c2nc3ccc(C(=O)N[C@@H](c4ccccc4)c4ccncc4)cc3o2)c1 ZINC000012306505 525728449 /nfs/dbraw/zinc/72/84/49/525728449.db2.gz OJADLCHMSLUOSN-VWLOTQADSA-N 0 0 435.483 5.418 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)s1 ZINC000020604774 525728713 /nfs/dbraw/zinc/72/87/13/525728713.db2.gz HZOXKGCISXEDDT-UHFFFAOYSA-N 0 0 433.480 5.807 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCc3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1 ZINC000012635205 525728875 /nfs/dbraw/zinc/72/88/75/525728875.db2.gz TTXCBOCQWPENCS-UHFFFAOYSA-N 0 0 429.519 7.234 50 0 IKAARN COc1cccc(-c2noc([C@H]3CCCCN3C(=O)Nc3ccc(Cl)cc3Cl)n2)c1 ZINC000035726496 525742123 /nfs/dbraw/zinc/74/21/23/525742123.db2.gz UOIPCMHIEVSMER-GOSISDBHSA-N 0 0 447.322 5.811 50 0 IKAARN Cc1ccc(-c2ccc(N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)nn2)cc1 ZINC000035398543 525751917 /nfs/dbraw/zinc/75/19/17/525751917.db2.gz JALUXWDQBLGYGK-UHFFFAOYSA-N 0 0 428.580 5.108 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3NC2=O)c1 ZINC000020734351 525766452 /nfs/dbraw/zinc/76/64/52/525766452.db2.gz SQYUXQJJOVQNQQ-VJYONXPCSA-N 0 0 436.577 5.335 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000022640930 525767037 /nfs/dbraw/zinc/76/70/37/525767037.db2.gz WGSCYZWPKNLXEP-UHFFFAOYSA-N 0 0 431.970 5.082 50 0 IKAARN Cc1ccc([C@@H](NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c2ccccc2)cc1 ZINC000012599223 525767754 /nfs/dbraw/zinc/76/77/54/525767754.db2.gz HHWVWWYHWVTUBM-QFIPXVFZSA-N 0 0 441.547 5.555 50 0 IKAARN Cc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2-c2ccc(O)cc2)cc1 ZINC000012461980 525768795 /nfs/dbraw/zinc/76/87/95/525768795.db2.gz DYNBCZOPKHBRML-UHFFFAOYSA-N 0 0 441.534 7.140 50 0 IKAARN Cc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2-c2cccc(O)c2)cc1 ZINC000012461982 525768901 /nfs/dbraw/zinc/76/89/01/525768901.db2.gz YASVWSFJINYQAO-UHFFFAOYSA-N 0 0 441.534 7.140 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891331 525770379 /nfs/dbraw/zinc/77/03/79/525770379.db2.gz DMJFYMIAPQNSQW-QHCPKHFHSA-N 0 0 433.964 6.638 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N[C@H]4CCCC[C@H]4C)cc3N(C)C2=O)c1 ZINC000020180463 525771098 /nfs/dbraw/zinc/77/10/98/525771098.db2.gz OKRAUMCWEFLSHA-SNDVWAGDSA-N 0 0 436.577 5.113 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3N(C)C2=O)c1 ZINC000020180443 525771355 /nfs/dbraw/zinc/77/13/55/525771355.db2.gz ZSJAUPXVUIRDLC-HZRSJKMUSA-N 0 0 444.556 5.296 50 0 IKAARN Cc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000012803348 525772124 /nfs/dbraw/zinc/77/21/24/525772124.db2.gz AVPIZWUSMODFHM-RUZDIDTESA-N 0 0 447.604 5.047 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1cn(C)c2ccccc12)C1CCCCCC1 ZINC000020212622 525779282 /nfs/dbraw/zinc/77/92/82/525779282.db2.gz QGSJGFGYGZSVHN-UHFFFAOYSA-N 0 0 440.056 7.062 50 0 IKAARN Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O ZINC000033719684 525779819 /nfs/dbraw/zinc/77/98/19/525779819.db2.gz UNDQFAKGKRRGGE-LZYBPNLTSA-N 0 0 427.740 6.061 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000035325051 525781901 /nfs/dbraw/zinc/78/19/01/525781901.db2.gz QIWDMXKNKBCEMB-FQEVSTJZSA-N 0 0 445.569 6.264 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)c1Cl ZINC000012634751 525785748 /nfs/dbraw/zinc/78/57/48/525785748.db2.gz FTZSAXRBLGMLJD-UHFFFAOYSA-N 0 0 431.275 5.285 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4c(C)cc(C)cc4Cl)c(=O)c23)s1 ZINC000012758122 525787110 /nfs/dbraw/zinc/78/71/10/525787110.db2.gz IVGLHWOGXMUOIA-UHFFFAOYSA-N 0 0 443.981 5.404 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4c(C)cccc4C(C)C)c(=O)c23)s1 ZINC000012808485 525787915 /nfs/dbraw/zinc/78/79/15/525787915.db2.gz KBQBZAHYYFLQQO-UHFFFAOYSA-N 0 0 437.590 5.565 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000020902751 525791565 /nfs/dbraw/zinc/79/15/65/525791565.db2.gz VAZRQOSUWOJMGL-VWLOTQADSA-N 0 0 435.955 5.163 50 0 IKAARN Cc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)c(C)c1 ZINC000021784245 525791742 /nfs/dbraw/zinc/79/17/42/525791742.db2.gz DACHHELQZQZFSV-KRWDZBQOSA-N 0 0 425.941 5.219 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)Cc2ccccc2)c1 ZINC000036011981 525792251 /nfs/dbraw/zinc/79/22/51/525792251.db2.gz MNEZNSGYXYHDOA-UHFFFAOYSA-N 0 0 426.516 5.810 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000020902755 525792226 /nfs/dbraw/zinc/79/22/26/525792226.db2.gz LGMPAKXNQUMCNM-VWLOTQADSA-N 0 0 435.955 5.163 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc(-c3ccc(C)c(C)c3)on2)Cc2ccccc2)c1 ZINC000036001746 525793142 /nfs/dbraw/zinc/79/31/42/525793142.db2.gz JXHDZIQRWUVGKW-UHFFFAOYSA-N 0 0 426.516 5.810 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1 ZINC000021527624 525793912 /nfs/dbraw/zinc/79/39/12/525793912.db2.gz GSTMTVRCZFYVJV-MHZLTWQESA-N 0 0 447.554 5.034 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCC1 ZINC000015675629 525796117 /nfs/dbraw/zinc/79/61/17/525796117.db2.gz QZYIHIUOIVSWPV-VWLOTQADSA-N 0 0 425.573 5.011 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035925281 525803635 /nfs/dbraw/zinc/80/36/35/525803635.db2.gz NNEFMVVIDFVQHQ-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cs2)cc1 ZINC000012685589 525807200 /nfs/dbraw/zinc/80/72/00/525807200.db2.gz VZSLGRYPCPAIBX-UHFFFAOYSA-N 0 0 443.576 5.285 50 0 IKAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4cccc5ccccc54)C3)no2)cc1 ZINC000021724528 525811777 /nfs/dbraw/zinc/81/17/77/525811777.db2.gz NKCFNXDRGXIUNU-NRFANRHFSA-N 0 0 426.520 5.049 50 0 IKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000035491045 525818201 /nfs/dbraw/zinc/81/82/01/525818201.db2.gz ULJKVZUWKGRNGQ-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cc1c(N=c2scc(-c3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000254767214 525823068 /nfs/dbraw/zinc/82/30/68/525823068.db2.gz YSDKLJLQBNLZIB-UHFFFAOYSA-N 0 0 438.556 5.236 50 0 IKAARN Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)N5CCCCC5)CC4)ccc3o2)cc1 ZINC000035454666 525823347 /nfs/dbraw/zinc/82/33/47/525823347.db2.gz RHGVEZACXLSXRN-UHFFFAOYSA-N 0 0 445.563 5.058 50 0 IKAARN C[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCCOc3ccccc3)[nH]c(=O)c21 ZINC000017058530 525823691 /nfs/dbraw/zinc/82/36/91/525823691.db2.gz CAEXUQRJYCOYCC-MHZLTWQESA-N 0 0 446.616 6.002 50 0 IKAARN Cc1ccc(-c2nc3sc4c(c3c(OCC(=O)Nc3ccccc3)n2)CCCC4)cc1 ZINC000015829985 525826401 /nfs/dbraw/zinc/82/64/01/525826401.db2.gz VHTWSSGUGSJTKO-UHFFFAOYSA-N 0 0 429.545 5.563 50 0 IKAARN Cc1ccc(-c2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c(-c3ccncc3)n2)cc1 ZINC000035528063 525830287 /nfs/dbraw/zinc/83/02/87/525830287.db2.gz GFMQQZLPEQVHNO-UHFFFAOYSA-N 0 0 432.527 5.444 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccc(C)cc3)cc2)c1 ZINC000000693372 525831964 /nfs/dbraw/zinc/83/19/64/525831964.db2.gz UBQWMYWVKXJAKG-UHFFFAOYSA-N 0 0 442.519 5.291 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1 ZINC000015729326 525833116 /nfs/dbraw/zinc/83/31/16/525833116.db2.gz VGEGGGKKJZJQNY-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 biogenic IKAARN COc1cccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cc(C)ccc3F)cc2)c1 ZINC000035928019 525833426 /nfs/dbraw/zinc/83/34/26/525833426.db2.gz PGTIFLDRDSTQRN-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4cc(OC)ccc4OC)c(C)c3c2)c1 ZINC000015729520 525833853 /nfs/dbraw/zinc/83/38/53/525833853.db2.gz DJGUMDSFQGBMNE-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccc(F)c3)c2)c1 ZINC000037385261 525834571 /nfs/dbraw/zinc/83/45/71/525834571.db2.gz JLJQKNYJEJJESL-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)c2)c1 ZINC000034797035 525835402 /nfs/dbraw/zinc/83/54/02/525835402.db2.gz FRPOFSUESSICFS-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN COc1cccc(C(=O)c2c(N)c(-c3nc(-c4ccc(F)cc4)cs3)c3ccccn32)c1 ZINC000020441886 525839662 /nfs/dbraw/zinc/83/96/62/525839662.db2.gz DSYPTWHKYKQBHG-UHFFFAOYSA-N 0 0 443.503 5.691 50 0 IKAARN Cc1ccc(-c2nn(CC(=O)NCc3ccc(F)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996566 525841914 /nfs/dbraw/zinc/84/19/14/525841914.db2.gz RINJOXPTAJGZNF-UHFFFAOYSA-N 0 0 442.469 5.155 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 ZINC000012179092 525856484 /nfs/dbraw/zinc/85/64/84/525856484.db2.gz OYACAZMXNOLHGN-UHFFFAOYSA-N 0 0 428.728 5.736 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)c3ccc4oc5ccccc5c4c3)n2C)c(Cl)c1 ZINC000012447195 525858423 /nfs/dbraw/zinc/85/84/23/525858423.db2.gz ZJFYPKZTWWJEET-UHFFFAOYSA-N 0 0 447.947 6.318 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)c1 ZINC000012196706 525858865 /nfs/dbraw/zinc/85/88/65/525858865.db2.gz WOAILKNGXYOOAL-WIOPSUGQSA-N 0 0 432.545 5.668 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(C)c3C)C2)c1 ZINC000021147626 525859333 /nfs/dbraw/zinc/85/93/33/525859333.db2.gz XWJJYOYWLFJJET-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000012786035 525861903 /nfs/dbraw/zinc/86/19/03/525861903.db2.gz JLZUVAXZNNMNPJ-UHFFFAOYSA-N 0 0 434.971 5.694 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021892734 525866722 /nfs/dbraw/zinc/86/67/22/525866722.db2.gz ZEUKALUUZLIEFI-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000033115652 525867422 /nfs/dbraw/zinc/86/74/22/525867422.db2.gz OFFXRSGMZJLVKL-RUZDIDTESA-N 0 0 448.975 5.733 50 0 IKAARN C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012587463 525883747 /nfs/dbraw/zinc/88/37/47/525883747.db2.gz MAHDPCHKTMRWPZ-WJONBZRJSA-N 0 0 430.759 5.733 50 0 IKAARN Cc1ccc(-c2nsc(NC(=O)c3oc4ccc(Br)cc4c3C)n2)s1 ZINC000021659729 525888750 /nfs/dbraw/zinc/88/87/50/525888750.db2.gz VMAQFGHXRPAXTA-UHFFFAOYSA-N 0 0 434.340 5.644 50 0 IKAARN C[C@@H](OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)Nc1cccc(Cl)c1 ZINC000012650032 525893117 /nfs/dbraw/zinc/89/31/17/525893117.db2.gz RQDOOMWDEVNSAS-GFCCVEGCSA-N 0 0 442.949 5.862 50 0 IKAARN C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000018026278 525893387 /nfs/dbraw/zinc/89/33/87/525893387.db2.gz MBVYBQLAAPEQAA-LBPRGKRZSA-N 0 0 436.867 5.010 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccccc2Cl)cc1 ZINC000035848209 525896878 /nfs/dbraw/zinc/89/68/78/525896878.db2.gz ISLQTYVWEFOVFI-UHFFFAOYSA-N 0 0 441.000 5.247 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(C(F)(F)F)cc2)cc1 ZINC000035848020 525897597 /nfs/dbraw/zinc/89/75/97/525897597.db2.gz SDJWBEIEEZDHKY-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SC[C@@H]2CCCO2)c(C)c1 ZINC000012555607 525897634 /nfs/dbraw/zinc/89/76/34/525897634.db2.gz CLUHPBKWPAXYJZ-QFIPXVFZSA-N 0 0 429.589 5.899 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2Cl)cc1 ZINC000035848213 525899855 /nfs/dbraw/zinc/89/98/55/525899855.db2.gz KCRJZUCBSAIRMM-UHFFFAOYSA-N 0 0 448.979 5.305 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2-c2cccc(C)c2)cc1 ZINC000035847469 525901806 /nfs/dbraw/zinc/90/18/06/525901806.db2.gz GJUQKFJNVPUMKJ-UHFFFAOYSA-N 0 0 439.506 6.862 50 0 IKAARN Cc1ccc(-n2c(SCCC34CC5CC(CC(C5)C3)C4)nnc2-c2ccccc2)cc1C ZINC000012538989 525901988 /nfs/dbraw/zinc/90/19/88/525901988.db2.gz NWCPKRZGOWBOMN-UHFFFAOYSA-N 0 0 443.660 7.250 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(F)(F)F)cc3)nnc2-c2ccc(F)cc2)cc1 ZINC000035847847 525902148 /nfs/dbraw/zinc/90/21/48/525902148.db2.gz NYMMANDCBIHSOZ-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2-c2cccnc2)cc1 ZINC000035840180 525902210 /nfs/dbraw/zinc/90/22/10/525902210.db2.gz CUOXILAGHIPQIX-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccnc2)c(C)c1 ZINC000012565933 525902246 /nfs/dbraw/zinc/90/22/46/525902246.db2.gz SYNXNAYKIRTKEW-UHFFFAOYSA-N 0 0 428.605 6.536 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025355 525911862 /nfs/dbraw/zinc/91/18/62/525911862.db2.gz FPNKFFOMSQYCFJ-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010747 525911983 /nfs/dbraw/zinc/91/19/83/525911983.db2.gz UYJBAKFMAAYTHX-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(Cl)c1O2 ZINC000020642196 525915622 /nfs/dbraw/zinc/91/56/22/525915622.db2.gz LPMRWEFXSXOUSV-RHSMWYFYSA-N 0 0 433.282 5.947 50 0 IKAARN Cc1ccc(-n2cnc3c(sc4nnc(-c5ccccc5)c(-c5ccccc5)c43)c2=O)cc1 ZINC000002150272 525918282 /nfs/dbraw/zinc/91/82/82/525918282.db2.gz LRRAFJXLYBFJLY-UHFFFAOYSA-N 0 0 446.535 6.033 50 0 IKAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000012111581 525929233 /nfs/dbraw/zinc/92/92/33/525929233.db2.gz NLUAEVJTIMXVNM-FDDCHVKYSA-N 0 0 429.988 5.613 50 0 IKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C\c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000033663281 525930199 /nfs/dbraw/zinc/93/01/99/525930199.db2.gz ZDAIMWYTUNZWGQ-POHAHGRESA-N 0 0 437.330 5.996 50 0 IKAARN Cc1c2c(cn[nH]c2=O)c(-c2ccccc2)n1CCSCc1c(F)cccc1Cl ZINC000012369536 525934056 /nfs/dbraw/zinc/93/40/56/525934056.db2.gz PITNVYJTRHAUHS-UHFFFAOYSA-N 0 0 427.932 5.426 50 0 IKAARN C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)N(C)c1ccccc1F ZINC000035975524 525934269 /nfs/dbraw/zinc/93/42/69/525934269.db2.gz ADDQHLREJDZPMT-CQSZACIVSA-N 0 0 440.858 5.843 50 0 in-vitro IKAARN Cc1c2c(n(Cc3ccc(C)cc3)c1C(=O)NCc1cccc(C(F)(F)F)c1)CCCC2 ZINC000035834972 525934980 /nfs/dbraw/zinc/93/49/80/525934980.db2.gz LYVXBUDYMSEZGY-UHFFFAOYSA-N 0 0 440.509 5.981 50 0 IKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000002984858 525948312 /nfs/dbraw/zinc/94/83/12/525948312.db2.gz VPUZLNMNCRQKJC-STQMWFEESA-N 0 0 434.989 5.057 50 0 IKAARN Cc1c2cc(Cl)c3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccc(F)cc1)CO3 ZINC000020358348 525951678 /nfs/dbraw/zinc/95/16/78/525951678.db2.gz IBVGTUUGHFADOD-UHFFFAOYSA-N 0 0 449.909 5.837 50 0 IKAARN C[C@H](Oc1ccccc1)c1nnc(SCCC(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000012851338 525956968 /nfs/dbraw/zinc/95/69/68/525956968.db2.gz OAUORMOFNBWWKL-IBGZPJMESA-N 0 0 444.560 5.528 50 0 IKAARN Cc1ccc(C=Cc2nc(S[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)n[nH]2)o1 ZINC000012840037 525957968 /nfs/dbraw/zinc/95/79/68/525957968.db2.gz VEEAQBCYXDVZQS-PLSXKVAHSA-N 0 0 437.550 5.119 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(CCc1cccc(F)c1)C3 ZINC000020610040 525961039 /nfs/dbraw/zinc/96/10/39/525961039.db2.gz CQHJSPAQTFSUJP-UHFFFAOYSA-N 0 0 443.518 5.534 50 0 biogenic IKAARN Cc1c2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000011866228 525961720 /nfs/dbraw/zinc/96/17/20/525961720.db2.gz YHYJRSXZJPAYTB-UHFFFAOYSA-N 0 0 444.867 5.329 50 0 IKAARN COc1cccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 ZINC000028393295 525967755 /nfs/dbraw/zinc/96/77/55/525967755.db2.gz NEDJEMXEZNMPDB-UHFFFAOYSA-N 0 0 433.504 5.030 50 0 IKAARN C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000022022033 525968823 /nfs/dbraw/zinc/96/88/23/525968823.db2.gz UMXLMMALPBNAPB-LLVKDONJSA-N 0 0 447.557 6.083 50 0 IKAARN Cc1c2cccc(Cl)c2oc1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000008825770 525972205 /nfs/dbraw/zinc/97/22/05/525972205.db2.gz HFZKBTLCTFLWJK-UHFFFAOYSA-N 0 0 442.302 5.903 50 0 IKAARN C[C@@H](SCCOc1ccccc1F)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012689335 525975310 /nfs/dbraw/zinc/97/53/10/525975310.db2.gz WMSAJAKSXCFCQW-GFCCVEGCSA-N 0 0 432.567 5.725 50 0 IKAARN Cc1cnc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cn1 ZINC000012731013 525977475 /nfs/dbraw/zinc/97/74/75/525977475.db2.gz LGNHQRUPQUYLBE-UHFFFAOYSA-N 0 0 446.376 5.122 50 0 IKAARN C[C@H](SCc1nc(-c2cccs2)no1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012868458 525981200 /nfs/dbraw/zinc/98/12/00/525981200.db2.gz RVIMWJPMZXVZNT-JTQLQIEISA-N 0 0 442.547 5.351 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)c1 ZINC000021892927 525983632 /nfs/dbraw/zinc/98/36/32/525983632.db2.gz RETXXTNBCJBFEV-MHZLTWQESA-N 0 0 437.543 5.609 50 0 IKAARN CSc1ccc(CCNC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 ZINC000020465044 525985002 /nfs/dbraw/zinc/98/50/02/525985002.db2.gz CMEXMOYNYJLBJV-UHFFFAOYSA-N 0 0 449.601 5.514 50 0 IKAARN Cc1c2nc(N(Cc3ccccn3)C(=O)COc3ccccc3F)sc2ccc1Cl ZINC000022855244 525995205 /nfs/dbraw/zinc/99/52/05/525995205.db2.gz SFINDXAJVHJVMC-UHFFFAOYSA-N 0 0 441.915 5.404 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1c(F)cccc1F ZINC000016834797 526001573 /nfs/dbraw/zinc/00/15/73/526001573.db2.gz CZJCEWHNZUMBQJ-OAHLLOKOSA-N 0 0 435.499 6.141 50 0 IKAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000012779504 526002482 /nfs/dbraw/zinc/00/24/82/526002482.db2.gz ZIEWGCRESHUQJP-HTAPYJJXSA-N 0 0 447.604 5.186 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1nc2ccccc2n1C(F)F ZINC000012525698 526003066 /nfs/dbraw/zinc/00/30/66/526003066.db2.gz AFKRDSIUSJDPAW-CQSZACIVSA-N 0 0 440.519 6.110 50 0 IKAARN CSc1ccc(CNC(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)cc1 ZINC000021116007 526003168 /nfs/dbraw/zinc/00/31/68/526003168.db2.gz AVLHLHVXUQJINB-UHFFFAOYSA-N 0 0 426.611 5.032 50 0 IKAARN C[C@H](Sc1nc2ccc(Cl)cc2o1)c1nc(N)nc(N2CCCc3ccccc32)n1 ZINC000012401965 526003312 /nfs/dbraw/zinc/00/33/12/526003312.db2.gz YQDPUVFKOWSENA-LBPRGKRZSA-N 0 0 438.944 5.186 50 0 IKAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)Nc1c(F)cccc1F ZINC000018597286 526003812 /nfs/dbraw/zinc/00/38/12/526003812.db2.gz UDJUCCBOTBPTKM-JTQLQIEISA-N 0 0 438.297 5.237 50 0 IKAARN C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012781989 526006089 /nfs/dbraw/zinc/00/60/89/526006089.db2.gz VSLYOKLCCCSMNH-LBPRGKRZSA-N 0 0 444.347 5.242 50 0 IKAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000012773890 526007095 /nfs/dbraw/zinc/00/70/95/526007095.db2.gz VRWNQBTZKXLNGE-GFCCVEGCSA-N 0 0 444.347 5.242 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000012930570 526008382 /nfs/dbraw/zinc/00/83/82/526008382.db2.gz LUOHLOWNFUDCTP-HNNXBMFYSA-N 0 0 437.544 5.666 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000012911931 526008504 /nfs/dbraw/zinc/00/85/04/526008504.db2.gz QJHDRGGJWABIJX-MRXNPFEDSA-N 0 0 440.588 5.058 50 0 IKAARN COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)[C@@H](O)CC2(CCCCCC2)O4)c1 ZINC000020388494 526009225 /nfs/dbraw/zinc/00/92/25/526009225.db2.gz DKOJTMILAAQRDT-FQEVSTJZSA-N 0 0 449.547 5.589 50 0 biogenic IKAARN C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000012812034 526009145 /nfs/dbraw/zinc/00/91/45/526009145.db2.gz MPYFHJIKELUTBF-MRXNPFEDSA-N 0 0 433.558 6.007 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000012593352 526009322 /nfs/dbraw/zinc/00/93/22/526009322.db2.gz JJSQROYQVYRQGC-GFCCVEGCSA-N 0 0 441.919 5.976 50 0 IKAARN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000012557984 526015073 /nfs/dbraw/zinc/01/50/73/526015073.db2.gz AELIIVQRFVIIDR-ZIAGYGMSSA-N 0 0 432.952 5.046 50 0 IKAARN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012776335 526015149 /nfs/dbraw/zinc/01/51/49/526015149.db2.gz MDVVWIVYFOJTCN-LLVKDONJSA-N 0 0 441.906 6.063 50 0 IKAARN C[C@@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000012554259 526015410 /nfs/dbraw/zinc/01/54/10/526015410.db2.gz JNOUMFJSCLPXCS-UONOGXRCSA-N 0 0 432.952 5.046 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 ZINC000035832805 526031571 /nfs/dbraw/zinc/03/15/71/526031571.db2.gz HIFMEZWRVWHWBI-XMCHAPAWSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1cc(-c2c(C)nc3c(OCc4cccc(C)c4)cccn3c2=O)nn1-c1ccccc1 ZINC000035911297 526038194 /nfs/dbraw/zinc/03/81/94/526038194.db2.gz NKMCMGKIIJNXIX-UHFFFAOYSA-N 0 0 436.515 5.051 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021536646 526048409 /nfs/dbraw/zinc/04/84/09/526048409.db2.gz BYGOZJIKZNAAPI-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000001320467 526051625 /nfs/dbraw/zinc/05/16/25/526051625.db2.gz ZOKSBRJDFGOTCK-XMMPIXPASA-N 0 0 440.326 5.309 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)c(C)c1 ZINC000001320599 526051890 /nfs/dbraw/zinc/05/18/90/526051890.db2.gz DLQCEVKTGBXDPF-RUZDIDTESA-N 0 0 437.898 5.103 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561636 526064253 /nfs/dbraw/zinc/06/42/53/526064253.db2.gz ARYRJVRHRUXSRY-OFVILXPXSA-N 0 0 430.529 5.422 50 0 IKAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000012885621 526066143 /nfs/dbraw/zinc/06/61/43/526066143.db2.gz IUZFBPIVRNEGLQ-RBFDBLARSA-N 0 0 443.565 5.191 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)cc1 ZINC000014998902 526076875 /nfs/dbraw/zinc/07/68/75/526076875.db2.gz SUJINDONZDTAOF-VWLOTQADSA-N 0 0 435.589 5.499 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(OC[C@H]3CC=CCC3)c2)Cc2ccccn2)s1 ZINC000012217554 526077625 /nfs/dbraw/zinc/07/76/25/526077625.db2.gz BFKBHYJJGPGOAO-NRFANRHFSA-N 0 0 432.589 6.029 50 0 IKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021536234 526080007 /nfs/dbraw/zinc/08/00/07/526080007.db2.gz MKGSEIAOCUAZJO-VWLOTQADSA-N 0 0 443.547 6.475 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021527629 526090446 /nfs/dbraw/zinc/09/04/46/526090446.db2.gz WEXPOTZUCZEQQP-MMTVBGGISA-N 0 0 443.591 5.456 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035944083 526094145 /nfs/dbraw/zinc/09/41/45/526094145.db2.gz WKFYAKPWJLIEPX-HXUWFJFHSA-N 0 0 449.639 6.017 50 0 IKAARN Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccccc3N3CCOCC3)c2c1 ZINC000012525024 526095877 /nfs/dbraw/zinc/09/58/77/526095877.db2.gz KKKZDKMVCMJCQP-UHFFFAOYSA-N 0 0 445.588 5.613 50 0 IKAARN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCCC4=CCCCC4)c3)C2)cc1 ZINC000033034958 526105069 /nfs/dbraw/zinc/10/50/69/526105069.db2.gz LLGJVXKCDSCSFV-SANMLTNESA-N 0 0 430.592 5.635 50 0 IKAARN C[C@H](c1ccccc1)n1cnc2c3cc(F)ccc3n(Cc3ccccc3Cl)c2c1=O ZINC000021883756 526108860 /nfs/dbraw/zinc/10/88/60/526108860.db2.gz ZHLJKSHHUDZYFE-MRXNPFEDSA-N 0 0 431.898 5.801 50 0 IKAARN COc1cccc(Cn2c3cnccc3nc2SCc2cccc(C(F)(F)F)c2)c1 ZINC000020388915 526110093 /nfs/dbraw/zinc/11/00/93/526110093.db2.gz VTCYVHTZLOUTRM-UHFFFAOYSA-N 0 0 429.467 5.799 50 0 IKAARN COc1cccc(Cn2cnc3c4ccccc4n(Cc4ccc(F)cc4Cl)c3c2=O)c1 ZINC000035400280 526110883 /nfs/dbraw/zinc/11/08/83/526110883.db2.gz MZXXLGMAAYOQHE-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN CSc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000032975228 526118505 /nfs/dbraw/zinc/11/85/05/526118505.db2.gz USSDICCBKIPTQM-UHFFFAOYSA-N 0 0 428.945 5.523 50 0 IKAARN CSc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000021879897 526123631 /nfs/dbraw/zinc/12/36/31/526123631.db2.gz YBUUCVSMTPJFHJ-DEOSSOPVSA-N 0 0 431.536 6.209 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1 ZINC000021891582 526125111 /nfs/dbraw/zinc/12/51/11/526125111.db2.gz DLTMMWVNWTWCDW-QHCPKHFHSA-N 0 0 431.586 6.398 50 0 IKAARN Cc1ccc2c(COC(=O)CCN3c4ccccc4Sc4ccccc43)cc(=O)oc2c1 ZINC000012637988 526132107 /nfs/dbraw/zinc/13/21/07/526132107.db2.gz FDVAENJTVNVMRM-UHFFFAOYSA-N 0 0 443.524 5.838 50 0 IKAARN Cc1ccc2c(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)cc(=O)oc2c1C ZINC000033632002 526132896 /nfs/dbraw/zinc/13/28/96/526132896.db2.gz XBSCTNDXJXJJTO-UHFFFAOYSA-N 0 0 439.846 5.417 50 0 IKAARN C[C@H](c1ccco1)N(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000012490724 526138845 /nfs/dbraw/zinc/13/88/45/526138845.db2.gz KEZXPMARGGPJFN-QGZVFWFLSA-N 0 0 436.433 6.768 50 0 IKAARN Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012137129 526156374 /nfs/dbraw/zinc/15/63/74/526156374.db2.gz LSPXOCUVNCCXLQ-JXFKEZNVSA-N 0 0 448.357 5.030 50 0 IKAARN Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000012137130 526157441 /nfs/dbraw/zinc/15/74/41/526157441.db2.gz LSPXOCUVNCCXLQ-OXQOHEQNSA-N 0 0 448.357 5.030 50 0 IKAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012578504 526157743 /nfs/dbraw/zinc/15/77/43/526157743.db2.gz XYWXUYUIGLIPPQ-KRWDZBQOSA-N 0 0 448.748 5.030 50 0 IKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccc(Cl)cc1Cl ZINC000012865523 526182323 /nfs/dbraw/zinc/18/23/23/526182323.db2.gz OPGFAUUUWXKMRG-LLVKDONJSA-N 0 0 434.348 5.744 50 0 IKAARN C[C@H](c1nccs1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012570675 526184580 /nfs/dbraw/zinc/18/45/80/526184580.db2.gz VVAHOECCEBUWRC-GOSISDBHSA-N 0 0 428.561 5.994 50 0 IKAARN C[C@@H](c1nnc(SCc2cc(-c3cccs3)on2)n1-c1ccc(F)cc1)N(C)C ZINC000012558380 526186343 /nfs/dbraw/zinc/18/63/43/526186343.db2.gz NAXCFFPVZGSKJI-ZDUSSCGKSA-N 0 0 429.546 5.038 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)c1 ZINC000021888556 526189174 /nfs/dbraw/zinc/18/91/74/526189174.db2.gz GGOMMMTXVYLOGA-XMMPIXPASA-N 0 0 431.923 6.010 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000021888553 526189687 /nfs/dbraw/zinc/18/96/87/526189687.db2.gz GGOMMMTXVYLOGA-DEOSSOPVSA-N 0 0 431.923 6.010 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000021893536 526190463 /nfs/dbraw/zinc/19/04/63/526190463.db2.gz NNAXTSVMKBSNNX-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 ZINC000012780580 526195089 /nfs/dbraw/zinc/19/50/89/526195089.db2.gz MORYFTWLYOVSGT-QGZVFWFLSA-N 0 0 448.548 5.023 50 0 IKAARN COc1cccc(NC(=O)Nc2cccc(-n3nc(OCC(C)C)nc3-c3ccco3)c2)c1 ZINC000036008202 526196110 /nfs/dbraw/zinc/19/61/10/526196110.db2.gz YHYUKGLESQOILQ-UHFFFAOYSA-N 0 0 447.495 5.215 50 0 IKAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000012811315 526196876 /nfs/dbraw/zinc/19/68/76/526196876.db2.gz HQRGVXJEBXMEEN-GAJHUEQPSA-N 0 0 431.561 5.678 50 0 IKAARN COc1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)cs2)c2ccccc2)c1 ZINC000012638372 526198410 /nfs/dbraw/zinc/19/84/10/526198410.db2.gz DCKKQKKPEDUZNV-JOCHJYFZSA-N 0 0 432.570 6.291 50 0 IKAARN COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 ZINC000012780584 526199594 /nfs/dbraw/zinc/19/95/94/526199594.db2.gz MORYFTWLYOVSGT-KRWDZBQOSA-N 0 0 448.548 5.023 50 0 IKAARN COc1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4C)C3=O)c2)c1 ZINC000035180874 526203114 /nfs/dbraw/zinc/20/31/14/526203114.db2.gz PIQUACZFHPFIBM-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1cccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)c1 ZINC000014608882 526206255 /nfs/dbraw/zinc/20/62/55/526206255.db2.gz UWSHHBPGMRUCLX-UHFFFAOYSA-N 0 0 432.549 5.106 50 0 IKAARN COc1cccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)nc2C)c1 ZINC000020893621 526206845 /nfs/dbraw/zinc/20/68/45/526206845.db2.gz LLFZCNLTRGFFDB-UHFFFAOYSA-N 0 0 446.576 5.414 50 0 IKAARN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000035706441 526210928 /nfs/dbraw/zinc/21/09/28/526210928.db2.gz QVNYPMQFDDIQFZ-HXUWFJFHSA-N 0 0 442.588 5.667 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1CCc1ccc(F)cc1 ZINC000012638208 526211072 /nfs/dbraw/zinc/21/10/72/526211072.db2.gz FRYVFLOKSVHRNJ-UHFFFAOYSA-N 0 0 449.856 5.458 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)c(C)n1Cc1ccco1 ZINC000012567275 526211576 /nfs/dbraw/zinc/21/15/76/526211576.db2.gz NYLBKGIQNHCVHD-UHFFFAOYSA-N 0 0 443.499 5.365 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2cc(C)nc3ccccc32)c(C)n1CCc1ccccc1 ZINC000012588049 526211627 /nfs/dbraw/zinc/21/16/27/526211627.db2.gz AJYRMFKINIKMRB-UHFFFAOYSA-N 0 0 426.516 5.244 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2sc(-c3ccccc3)nc2C)c(C)n1-c1nccs1 ZINC000017828638 526212851 /nfs/dbraw/zinc/21/28/51/526212851.db2.gz SVAXPOQNEJPNSD-UHFFFAOYSA-N 0 0 437.546 5.022 50 0 IKAARN Cc1cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c(C)n1CC(F)(F)F ZINC000012546896 526213133 /nfs/dbraw/zinc/21/31/33/526213133.db2.gz ORSADFYYOJETTM-UHFFFAOYSA-N 0 0 445.268 6.092 50 0 IKAARN COc1cccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 ZINC000001183679 526213195 /nfs/dbraw/zinc/21/31/95/526213195.db2.gz JIQKSIVGWDWDND-UHFFFAOYSA-N 0 0 429.295 5.431 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(C)n1C1CC1 ZINC000012677082 526214142 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5.554 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccc(F)cc1Cl ZINC000035400611 526217683 /nfs/dbraw/zinc/21/76/83/526217683.db2.gz ZXYFZUIZFQBXAC-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1cccc(C(F)(F)F)c1 ZINC000035400606 526217790 /nfs/dbraw/zinc/21/77/90/526217790.db2.gz IWUHXOTUXLCJAR-UHFFFAOYSA-N 0 0 447.460 5.775 50 0 IKAARN CSc1ncc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)n1-c1ccc(F)cc1 ZINC000012754652 526219777 /nfs/dbraw/zinc/21/97/77/526219777.db2.gz YTYPZSSOFBPHMF-UHFFFAOYSA-N 0 0 446.479 5.387 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000012563619 526221632 /nfs/dbraw/zinc/22/16/32/526221632.db2.gz PQLZBQBAZGJZLC-UHFFFAOYSA-N 0 0 449.576 5.166 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCC(CC[NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)cc1 ZINC000035451304 526222169 /nfs/dbraw/zinc/22/21/69/526222169.db2.gz BIFROQIKUCVAJZ-UHFFFAOYSA-N 0 0 449.595 5.038 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)cc1 ZINC000035928487 526225383 /nfs/dbraw/zinc/22/53/83/526225383.db2.gz GOCOMTWYQDJKNM-VWLOTQADSA-N 0 0 431.561 5.092 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927545 526227250 /nfs/dbraw/zinc/22/72/50/526227250.db2.gz VSMZWDJSYBTAPR-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccsc1)N(C(=O)c1ccccc1)c1ccccc1-2 ZINC000001159484 526229664 /nfs/dbraw/zinc/22/96/64/526229664.db2.gz PHPRAFBJVKMTKH-OAQYLSRUSA-N 0 0 432.530 5.060 50 0 IKAARN Cc1ccc(C(=O)Nc2nnc(SCc3cccc(OC(F)(F)F)c3)s2)cc1 ZINC000035924433 526230605 /nfs/dbraw/zinc/23/06/05/526230605.db2.gz RXYZTSPXVXRUNR-UHFFFAOYSA-N 0 0 425.457 5.290 50 0 IKAARN Cc1ccc2cc(CSc3nnc(COc4ccccc4Cl)o3)c(Cl)nc2c1 ZINC000012675063 526232166 /nfs/dbraw/zinc/23/21/66/526232166.db2.gz ADTWHTMFYATLCA-UHFFFAOYSA-N 0 0 432.332 6.104 50 0 IKAARN Cc1ccc(C(=O)OCCN(CC23CC4CC(CC(C4)C2)C3)C(=O)c2ccc(C)cc2)cc1 ZINC000012447596 526236683 /nfs/dbraw/zinc/23/66/83/526236683.db2.gz MIDZZLUKJRTWIJ-UHFFFAOYSA-N 0 0 445.603 5.819 50 0 IKAARN Cc1ccc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccccc3)n2c1 ZINC000035615724 526239489 /nfs/dbraw/zinc/23/94/89/526239489.db2.gz PINXIZUFELNJLF-UHFFFAOYSA-N 0 0 427.592 7.354 50 0 IKAARN COc1cccc(Oc2c(CN(C(=O)NC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980340 526240455 /nfs/dbraw/zinc/24/04/55/526240455.db2.gz LZSCJDJMEQJOKQ-UHFFFAOYSA-N 0 0 436.556 5.216 50 0 IKAARN COc1cccc(Oc2c(CN(CC(C)C)C(=O)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980223 526241955 /nfs/dbraw/zinc/24/19/55/526241955.db2.gz RFVNQSARTHTYFR-UHFFFAOYSA-N 0 0 433.552 5.283 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2c1 ZINC000001085074 526241959 /nfs/dbraw/zinc/24/19/59/526241959.db2.gz WRJRQZLQUCSMEP-UHFFFAOYSA-N 0 0 428.875 6.969 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(OCCC(C)C)cc4)cc3)sc2c1 ZINC000012137612 526242156 /nfs/dbraw/zinc/24/21/56/526242156.db2.gz ACDRRBAGOIIBLS-UHFFFAOYSA-N 0 0 430.573 6.949 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4C)cc3)sc2c1 ZINC000012340455 526242217 /nfs/dbraw/zinc/24/22/17/526242217.db2.gz YGZGUNJRSOQKCL-UHFFFAOYSA-N 0 0 427.451 6.246 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3Cl)sc2c1 ZINC000033169061 526242295 /nfs/dbraw/zinc/24/22/95/526242295.db2.gz ICNXRSPJWZZVSM-UHFFFAOYSA-N 0 0 442.993 6.343 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3)sc2c1 ZINC000022229403 526242365 /nfs/dbraw/zinc/24/23/65/526242365.db2.gz BRVPOCINNOJAJV-UHFFFAOYSA-N 0 0 431.586 6.015 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCc3ccc(Cl)cc3Cl)c2c1 ZINC000035706330 526242485 /nfs/dbraw/zinc/24/24/85/526242485.db2.gz XKSNKRVCAZHKET-UHFFFAOYSA-N 0 0 435.354 6.490 50 0 IKAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000019637479 526242831 /nfs/dbraw/zinc/24/28/31/526242831.db2.gz BZQBVMNSSIOHHQ-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN Cc1ccc2nc(-c3cccs3)c(CN(CCCN3CCCC3=O)C(=O)C(C)C)cc2c1 ZINC000012151723 526243080 /nfs/dbraw/zinc/24/30/80/526243080.db2.gz PDNHXYFHKGIRFW-UHFFFAOYSA-N 0 0 449.620 5.269 50 0 IKAARN Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000015947178 526249434 /nfs/dbraw/zinc/24/94/34/526249434.db2.gz SZHWMXLEHAVRNO-MHZLTWQESA-N 0 0 431.507 5.265 50 0 IKAARN Cc1ccc2nc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc(=O)n2c1 ZINC000033068157 526250055 /nfs/dbraw/zinc/25/00/55/526250055.db2.gz GDIMAAHIUMEJER-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN C[C@H](CC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)CC(C)(C)C ZINC000035912943 526250289 /nfs/dbraw/zinc/25/02/89/526250289.db2.gz HLGXTINHPDAUBB-GFCCVEGCSA-N 0 0 431.549 6.250 50 0 IKAARN Cc1ccc2nc(Cl)c3cc(C(=O)NCC4(c5ccccc5)CCCC4)sc3c2c1 ZINC000020321481 526250941 /nfs/dbraw/zinc/25/09/41/526250941.db2.gz IWTDXSLXDIAZDX-UHFFFAOYSA-N 0 0 434.992 6.653 50 0 IKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)no2)c1 ZINC000036005586 526255400 /nfs/dbraw/zinc/25/54/00/526255400.db2.gz OSROSCDTXDKHQQ-UHFFFAOYSA-N 0 0 430.935 6.454 50 0 IKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CCCC3)no2)c1 ZINC000036012480 526255654 /nfs/dbraw/zinc/25/56/54/526255654.db2.gz RPTXXEMSBHCLIT-UHFFFAOYSA-N 0 0 432.520 5.406 50 0 IKAARN Cc1ccc(C)c(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2)c1 ZINC000012447379 526256531 /nfs/dbraw/zinc/25/65/31/526256531.db2.gz SMSLOIUGSBNHEV-JOCHJYFZSA-N 0 0 433.577 6.983 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735168 526261930 /nfs/dbraw/zinc/26/19/30/526261930.db2.gz QTYWUYGCZNNOMK-NAZBDCEESA-N 0 0 426.969 5.734 50 0 IKAARN CCCC1=C(C(=O)OC)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccccc1 ZINC000013097819 534917305 /nfs/dbraw/zinc/91/73/05/534917305.db2.gz MDPLDNXMWCXWLT-LJQANCHMSA-N 0 0 434.483 5.368 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000012754401 526269023 /nfs/dbraw/zinc/26/90/23/526269023.db2.gz HOVXFPKSTVBRMV-FQEVSTJZSA-N 0 0 446.595 5.170 50 0 IKAARN O=C(NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1F ZINC000035689606 526269361 /nfs/dbraw/zinc/26/93/61/526269361.db2.gz WOQJOMXRFMKBBU-UHFFFAOYSA-N 0 0 431.536 5.795 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000016050373 526291618 /nfs/dbraw/zinc/29/16/18/526291618.db2.gz JLWABBZTRMYDAY-VOTSOKGWSA-N 0 0 444.406 5.645 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c12 ZINC000020615588 526295896 /nfs/dbraw/zinc/29/58/96/526295896.db2.gz JFIQSBKYHROVPU-UHFFFAOYSA-N 0 0 425.410 5.245 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000013121266 526296490 /nfs/dbraw/zinc/29/64/90/526296490.db2.gz MXFMJOPEWSPJFZ-UHFFFAOYSA-N 0 0 443.978 5.845 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3cccc4ccccc43)cc(C(F)F)c12 ZINC000020615396 526297523 /nfs/dbraw/zinc/29/75/23/526297523.db2.gz DKKIFKVUIZKEOW-UHFFFAOYSA-N 0 0 433.889 7.199 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC[C@@H]3c3cccnc3)cc12 ZINC000012563415 526298055 /nfs/dbraw/zinc/29/80/55/526298055.db2.gz JEMUYCRHYCQOCL-HXUWFJFHSA-N 0 0 436.968 5.480 50 0 IKAARN O=C(C1CCCCC1)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000023331816 526299816 /nfs/dbraw/zinc/29/98/16/526299816.db2.gz DWHMIFCPCFFHCD-UHFFFAOYSA-N 0 0 442.563 5.165 50 0 IKAARN Fc1cc(F)cc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035848131 526307052 /nfs/dbraw/zinc/30/70/52/526307052.db2.gz ZGJKXTYHPSBWNK-UHFFFAOYSA-N 0 0 448.420 5.919 50 0 IKAARN Fc1cc(F)cc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1 ZINC000035848064 526307144 /nfs/dbraw/zinc/30/71/44/526307144.db2.gz BFVSKEWLXYEBFZ-UHFFFAOYSA-N 0 0 427.907 6.082 50 0 IKAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\c1nc2c(ccc3ccccc23)s1 ZINC000033462995 526308608 /nfs/dbraw/zinc/30/86/08/526308608.db2.gz OWSSQFFNXSDQLF-VIHMKRCTSA-N 0 0 443.981 5.138 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3Br)c2C)c1-c1cccc(C)c1 ZINC000021914312 526313022 /nfs/dbraw/zinc/31/30/22/526313022.db2.gz ZJIWPSFUSJAAJA-UHFFFAOYSA-N 0 0 435.325 5.336 50 0 IKAARN Fc1ccc(-c2cc(-c3ccc(Br)cc3)nc3c2COc2ccccc2-3)cc1 ZINC000020847356 526314487 /nfs/dbraw/zinc/31/44/87/526314487.db2.gz WUSDEFFXFTWZFH-UHFFFAOYSA-N 0 0 432.292 6.877 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)n2)o1 ZINC000023462098 526314682 /nfs/dbraw/zinc/31/46/82/526314682.db2.gz NJXMGRLKIPFADY-QFIPXVFZSA-N 0 0 441.535 5.162 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035105643 526314918 /nfs/dbraw/zinc/31/49/18/526314918.db2.gz PSHCZBPSPAHRNI-RBZFPXEDSA-N 0 0 425.941 5.436 50 0 IKAARN Fc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2-c2ccccc2)cc1 ZINC000034759665 526318141 /nfs/dbraw/zinc/31/81/41/526318141.db2.gz HDAGQIGXJCUAMI-UHFFFAOYSA-N 0 0 429.442 6.385 50 0 IKAARN Cc1nnc(CCCSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)o1 ZINC000089736324 526327914 /nfs/dbraw/zinc/32/79/14/526327914.db2.gz ZOPRFCVYODRKOP-UHFFFAOYSA-N 0 0 425.602 5.774 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000017281945 526328666 /nfs/dbraw/zinc/32/86/66/526328666.db2.gz GEUGYXBZEIABAQ-IRLDBZIGSA-N 0 0 441.275 5.970 50 0 IKAARN O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccc(O)cc2)n1C1CCCCC1 ZINC000020738590 526337602 /nfs/dbraw/zinc/33/76/02/526337602.db2.gz YGJRAXDHGDKLRG-NRFANRHFSA-N 0 0 434.565 5.851 50 0 IKAARN Fc1ccc(CN[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Br)cc2)cc1 ZINC000021777244 526340535 /nfs/dbraw/zinc/34/05/35/526340535.db2.gz SHKLHVGUTCSTEZ-FQEVSTJZSA-N 0 0 438.300 5.517 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1F ZINC000035839979 526345227 /nfs/dbraw/zinc/34/52/27/526345227.db2.gz CKYQZHKGRMBNLP-UHFFFAOYSA-N 0 0 437.393 6.117 50 0 IKAARN Fc1ccc(Cn2cccc2CN(Cc2c(F)cccc2F)CC2CCCCC2)cc1 ZINC000035843780 526347291 /nfs/dbraw/zinc/34/72/91/526347291.db2.gz HOPOHGSQASXWEK-UHFFFAOYSA-N 0 0 426.526 6.536 50 0 IKAARN O=C(CC1CCCC1)N(Cc1cccc(OCc2ccc3c(c2)OCO3)c1)C1CCCC1 ZINC000012149205 526353342 /nfs/dbraw/zinc/35/33/42/526353342.db2.gz PJYFAQOJOQSTQY-UHFFFAOYSA-N 0 0 435.564 5.846 50 0 IKAARN O=C(CC1CCCCC1)N(Cc1c[nH]c2ccc(F)cc12)Cc1ccc(F)cc1Cl ZINC000035829321 526358625 /nfs/dbraw/zinc/35/86/25/526358625.db2.gz YJZDUOOHIRITAU-UHFFFAOYSA-N 0 0 430.926 6.599 50 0 IKAARN Fc1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)c(F)c1 ZINC000012759778 526359138 /nfs/dbraw/zinc/35/91/38/526359138.db2.gz IIZWPKVIKFZZDD-UHFFFAOYSA-N 0 0 445.516 5.323 50 0 IKAARN O=C(NCCSCc1ccc(Br)s1)c1ccc(OC(F)(F)F)cc1 ZINC000012682501 526371536 /nfs/dbraw/zinc/37/15/36/526371536.db2.gz RCIGDZYGXGXMMQ-UHFFFAOYSA-N 0 0 440.306 5.072 50 0 IKAARN O=c1nc(C(Cl)=Cc2ccc(-n3cccn3)c(F)c2)[nH]c2sc3c(c21)CCCC3 ZINC000096947642 526378158 /nfs/dbraw/zinc/37/81/58/526378158.db2.gz DMPNNHHYHLQMBV-GXDHUFHOSA-N 0 0 426.904 5.337 50 0 IKAARN O=c1[nH]c(SCc2coc(-c3ccccc3)n2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000012741924 526379917 /nfs/dbraw/zinc/37/99/17/526379917.db2.gz RDDSWALJFKTQAY-UHFFFAOYSA-N 0 0 435.896 5.122 50 0 IKAARN Cc1nnc(SCC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C2CCCCC2)s1 ZINC000012576034 526380292 /nfs/dbraw/zinc/38/02/92/526380292.db2.gz VYVWCJLGVJLLOK-NRFANRHFSA-N 0 0 426.611 5.126 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccccc2Oc2cccc(C)c2)n1-c1ccccc1 ZINC000012543384 526381352 /nfs/dbraw/zinc/38/13/52/526381352.db2.gz ZKFGWCLSKWYYPU-UHFFFAOYSA-N 0 0 430.533 5.407 50 0 IKAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012683551 526386830 /nfs/dbraw/zinc/38/68/30/526386830.db2.gz YXVVEHOSYVGLRU-UHFFFAOYSA-N 0 0 442.563 5.152 50 0 IKAARN S=c1n(CN2CC[C@H](c3ccccc3)C2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000012376178 526387951 /nfs/dbraw/zinc/38/79/51/526387951.db2.gz TZVFCHXVAAKTCJ-NRFANRHFSA-N 0 0 447.007 6.171 50 0 IKAARN Fc1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1F ZINC000035848039 526388297 /nfs/dbraw/zinc/38/82/97/526388297.db2.gz JCSATUKJWPHTOO-UHFFFAOYSA-N 0 0 437.393 6.117 50 0 IKAARN Cc1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000012622988 526388954 /nfs/dbraw/zinc/38/89/54/526388954.db2.gz GYMBTAWABXBNGT-VWLOTQADSA-N 0 0 427.573 6.217 50 0 IKAARN Fc1cccc(Cl)c1CSc1nncn1-c1ccc(OCc2ccccc2)cc1 ZINC000012370074 526391512 /nfs/dbraw/zinc/39/15/12/526391512.db2.gz MOPUINFOMZFJLG-UHFFFAOYSA-N 0 0 425.916 5.931 50 0 IKAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)n1 ZINC000020508461 526392332 /nfs/dbraw/zinc/39/23/32/526392332.db2.gz GOYKRFFEUZDRIR-RTBURBONSA-N 0 0 425.579 5.088 50 0 IKAARN Cc1nnc(Sc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)o1 ZINC000012581105 526392765 /nfs/dbraw/zinc/39/27/65/526392765.db2.gz NGCPWTFEJUSJLC-UHFFFAOYSA-N 0 0 447.010 5.968 50 0 IKAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)n1 ZINC000020744635 526392744 /nfs/dbraw/zinc/39/27/44/526392744.db2.gz NYBDCBSLXZLQJC-NRFANRHFSA-N 0 0 431.561 5.537 50 0 IKAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)n1 ZINC000020716663 526392831 /nfs/dbraw/zinc/39/28/31/526392831.db2.gz AIGIPBLDQWCWKQ-NRFANRHFSA-N 0 0 431.561 5.143 50 0 IKAARN Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)n1 ZINC000020508457 526393750 /nfs/dbraw/zinc/39/37/50/526393750.db2.gz GOYKRFFEUZDRIR-RBUKOAKNSA-N 0 0 425.579 5.088 50 0 IKAARN c1c(-c2ccccc2)sc2nc(-c3ccccc3)nc(NCCCN3CCOCC3)c12 ZINC000021548870 526396720 /nfs/dbraw/zinc/39/67/20/526396720.db2.gz ZJVSOPYQQRGSQQ-UHFFFAOYSA-N 0 0 430.577 5.160 50 0 IKAARN Cc1csc(SCc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)n1 ZINC000015964126 526399181 /nfs/dbraw/zinc/39/91/81/526399181.db2.gz FVTLVXVRMKCOCU-UHFFFAOYSA-N 0 0 437.634 5.323 50 0 IKAARN Cc1csc(S[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1 ZINC000008825849 526399359 /nfs/dbraw/zinc/39/93/59/526399359.db2.gz FFKJVIYWCOKZFJ-MRXNPFEDSA-N 0 0 442.915 6.596 50 0 IKAARN O=C(CCC1CCCC1)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921276 526400981 /nfs/dbraw/zinc/40/09/81/526400981.db2.gz BMAVWCRMZURECA-UHFFFAOYSA-N 0 0 445.556 5.055 50 0 IKAARN O=C(CCC1CCCC1)Nc1cc(-c2ccccc2)nn1-c1ccc(Br)cc1 ZINC000023330063 526405679 /nfs/dbraw/zinc/40/56/79/526405679.db2.gz GPAZNVAATMTEQP-UHFFFAOYSA-N 0 0 438.369 6.211 50 0 IKAARN Fc1ccccc1OCCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000012546463 526414806 /nfs/dbraw/zinc/41/48/06/526414806.db2.gz DBVJQBKVSMSKCY-UHFFFAOYSA-N 0 0 446.469 6.414 50 0 IKAARN O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1 ZINC000018152747 526416083 /nfs/dbraw/zinc/41/60/83/526416083.db2.gz CMWQHGOOGSLUPK-WUMKDDEVSA-N 0 0 431.532 5.249 50 0 IKAARN Fc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000012312111 526418685 /nfs/dbraw/zinc/41/86/85/526418685.db2.gz OTTUGFPKVIDRRO-YLJYHZDGSA-N 0 0 429.314 5.892 50 0 IKAARN Fc1ccccc1[C@H](Nc1ccc(OC(F)(F)F)cc1)c1nnc(-c2ccccc2)o1 ZINC000020988803 526418934 /nfs/dbraw/zinc/41/89/34/526418934.db2.gz UXSPJWHNEVFROW-IBGZPJMESA-N 0 0 429.373 5.976 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888954 526423601 /nfs/dbraw/zinc/42/36/01/526423601.db2.gz QVEHDYAXYDSQCO-AREMUKBSSA-N 0 0 425.507 5.474 50 0 IKAARN O=C(OCc1ccccc1)[C@@H](Cc1ccccc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000012376230 526426831 /nfs/dbraw/zinc/42/68/31/526426831.db2.gz RNUUHVMOJLXHSB-PMERELPUSA-N 0 0 434.579 6.690 50 0 IKAARN Cc1csc2nc(CSc3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n12 ZINC000020583061 526457121 /nfs/dbraw/zinc/45/71/21/526457121.db2.gz ZSWGJRUNYLNIGE-UHFFFAOYSA-N 0 0 441.965 5.262 50 0 IKAARN O=C(NCCc1nc2cccnc2n1C1CCCCC1)Nc1cccc(Br)c1 ZINC000033263708 526461044 /nfs/dbraw/zinc/46/10/44/526461044.db2.gz SYANMETXJNSULV-UHFFFAOYSA-N 0 0 442.361 5.063 50 0 IKAARN O=C(CCCc1cccs1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000012814777 526461812 /nfs/dbraw/zinc/46/18/12/526461812.db2.gz OZMVWVFRYIMMFX-OAQYLSRUSA-N 0 0 443.494 5.872 50 0 IKAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000033269135 526466819 /nfs/dbraw/zinc/46/68/19/526466819.db2.gz VJRJDJMFDYKUAX-UHFFFAOYSA-N 0 0 449.352 5.204 50 0 IKAARN c1ccc(COc2ccc([C@@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)cc2)cc1 ZINC000012275981 526474186 /nfs/dbraw/zinc/47/41/86/526474186.db2.gz VDUBVYWQKRFDKU-PXJZQJOASA-N 0 0 432.523 6.508 50 0 IKAARN c1ccc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2)cc1 ZINC000012105462 526477924 /nfs/dbraw/zinc/47/79/24/526477924.db2.gz KSOOTAKDVXZMHI-UHFFFAOYSA-N 0 0 425.517 5.200 50 0 IKAARN Cc1noc(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000012576887 526487920 /nfs/dbraw/zinc/48/79/20/526487920.db2.gz VBXDDSBRFNYWQR-NRFANRHFSA-N 0 0 442.441 5.025 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 ZINC000022877024 526522049 /nfs/dbraw/zinc/52/20/49/526522049.db2.gz BZIVFTDYNPYJRF-UHFFFAOYSA-N 0 0 428.891 5.468 50 0 IKAARN O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2c(cc(F)cc2F)s1 ZINC000022897679 526541144 /nfs/dbraw/zinc/54/11/44/526541144.db2.gz XCMIAALWOFLBFX-UHFFFAOYSA-N 0 0 430.501 5.883 50 0 IKAARN O=C(CC[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000012373095 526554935 /nfs/dbraw/zinc/55/49/35/526554935.db2.gz VKLQGBIWPTZNCN-NRFANRHFSA-N 0 0 426.988 5.710 50 0 IKAARN Cc1nc(-c2ccc(-c3noc(-c4ccc(C)c(NC(=O)c5ccco5)c4)n3)cc2)cs1 ZINC000065032249 526563054 /nfs/dbraw/zinc/56/30/54/526563054.db2.gz ZUAIDJLXTRDMAK-UHFFFAOYSA-N 0 0 442.500 5.989 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012897220 526564343 /nfs/dbraw/zinc/56/43/43/526564343.db2.gz NYICAORCBXAPCB-LLVKDONJSA-N 0 0 447.438 5.109 50 0 IKAARN Cc1nc(-c2ccc(CCNC(=O)c3c(C)onc3-c3ccccc3Cl)s2)cs1 ZINC000012788425 526569361 /nfs/dbraw/zinc/56/93/61/526569361.db2.gz BESHYZIZASJTPT-UHFFFAOYSA-N 0 0 443.981 5.769 50 0 IKAARN Cc1nc(-c2ccc(CCNC(=O)c3c(C)nn(-c4ccccc4)c3Cl)cc2)cs1 ZINC000012620819 526569905 /nfs/dbraw/zinc/56/99/05/526569905.db2.gz QLCOLQOPBBTYJM-UHFFFAOYSA-N 0 0 436.968 5.239 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2ccco2)Cc2cccs2)s1 ZINC000012553068 526573955 /nfs/dbraw/zinc/57/39/55/526573955.db2.gz UYFINSPPCOBTLN-UHFFFAOYSA-N 0 0 426.538 5.684 50 0 IKAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023446284 526575531 /nfs/dbraw/zinc/57/55/31/526575531.db2.gz DDDWFXZJVKAOBA-OAQYLSRUSA-N 0 0 437.795 5.823 50 0 IKAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NC(c1ccccc1)c1ccccc1 ZINC000011880714 526575872 /nfs/dbraw/zinc/57/58/72/526575872.db2.gz NNWRHZMLFJCXCU-HHHXNRCGSA-N 0 0 446.978 5.217 50 0 IKAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000012681174 526577077 /nfs/dbraw/zinc/57/70/77/526577077.db2.gz MOXOAZVNXMKJJG-JOCHJYFZSA-N 0 0 436.527 6.471 50 0 IKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1cccnc1)Nc1ccc(Br)cc1 ZINC000033267719 526577701 /nfs/dbraw/zinc/57/77/01/526577701.db2.gz KRGDFIJABCAEBU-IBGZPJMESA-N 0 0 435.325 5.279 50 0 IKAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)c1C ZINC000035890310 526583706 /nfs/dbraw/zinc/58/37/06/526583706.db2.gz ZUZMGPSGJZJVLE-UHFFFAOYSA-N 0 0 440.522 5.015 50 0 IKAARN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N(Cc1ccco1)Cc1cccnc1 ZINC000012561721 526591509 /nfs/dbraw/zinc/59/15/09/526591509.db2.gz DZKVOOAUCJXDQE-UHFFFAOYSA-N 0 0 434.499 5.370 50 0 IKAARN O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N(Cc1ccco1)Cc1cccnc1 ZINC000012556417 526597171 /nfs/dbraw/zinc/59/71/71/526597171.db2.gz QZELIRAKSMSAAP-UHFFFAOYSA-N 0 0 440.528 5.431 50 0 IKAARN O=C(CCc1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000012196375 526597996 /nfs/dbraw/zinc/59/79/96/526597996.db2.gz FTCKDDJFEBUKOT-MHZLTWQESA-N 0 0 430.548 5.536 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000012740911 526602488 /nfs/dbraw/zinc/60/24/88/526602488.db2.gz CKPJOLDTPGYFHV-HUUCEWRRSA-N 0 0 426.611 5.305 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000012740917 526602712 /nfs/dbraw/zinc/60/27/12/526602712.db2.gz CKPJOLDTPGYFHV-GJZGRUSLSA-N 0 0 426.611 5.305 50 0 IKAARN O=C(c1cc(COc2cccc3cccnc32)on1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000012439264 526604860 /nfs/dbraw/zinc/60/48/60/526604860.db2.gz ZXQIVTQJNVNUPX-QFIPXVFZSA-N 0 0 431.467 5.308 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012390378 526605747 /nfs/dbraw/zinc/60/57/47/526605747.db2.gz YINKOKWVIDSYJP-UHFFFAOYSA-N 0 0 447.387 5.549 50 0 IKAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 ZINC000016994338 526610829 /nfs/dbraw/zinc/61/08/29/526610829.db2.gz KSUMBAVMKINOQK-UHFFFAOYSA-N 0 0 433.558 5.238 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000017344586 526616605 /nfs/dbraw/zinc/61/66/05/526616605.db2.gz QQICRVJSBTVZQS-CQSZACIVSA-N 0 0 441.603 5.616 50 0 IKAARN O=C(CCc1cccnc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1c(F)cccc1Cl ZINC000012441025 526617910 /nfs/dbraw/zinc/61/79/10/526617910.db2.gz QJSPQUSDOAVMSD-VWLOTQADSA-N 0 0 433.914 5.462 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(I)c1 ZINC000012881296 526620720 /nfs/dbraw/zinc/62/07/20/526620720.db2.gz MTCQABNAKDIPDX-UHFFFAOYSA-N 0 0 426.304 5.037 50 0 IKAARN Cc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)Nc1cccc(Cl)c1 ZINC000014608873 526626549 /nfs/dbraw/zinc/62/65/49/526626549.db2.gz QOAVOHGTVSBQDN-UHFFFAOYSA-N 0 0 436.968 5.751 50 0 IKAARN Cc1noc(CSc2ccc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2)n1 ZINC000012924010 526629067 /nfs/dbraw/zinc/62/90/67/526629067.db2.gz DLPWEWFUKSWYMQ-HSZRJFAPSA-N 0 0 429.545 5.384 50 0 IKAARN c1sc2nc(-c3cccnc3)nc(NCc3nnc4ccccn43)c2c1-c1ccccc1 ZINC000020669229 526634648 /nfs/dbraw/zinc/63/46/48/526634648.db2.gz BRPTXTWFSFROBD-UHFFFAOYSA-N 0 0 435.516 5.075 50 0 IKAARN O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022878822 526640739 /nfs/dbraw/zinc/64/07/39/526640739.db2.gz PEONQNCISRHPLM-UGSZZNERSA-N 0 0 433.555 5.218 50 0 IKAARN O=C(CCc1nc(CSc2nc(-c3cccs3)cs2)no1)Nc1ccccc1F ZINC000033087446 526651338 /nfs/dbraw/zinc/65/13/38/526651338.db2.gz VYLYGTWEZWSRAC-UHFFFAOYSA-N 0 0 446.554 5.257 50 0 IKAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1cccc(Cl)c1 ZINC000021157521 526651482 /nfs/dbraw/zinc/65/14/82/526651482.db2.gz AGQKGDDTDSOWCS-UHFFFAOYSA-N 0 0 430.942 5.196 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012562996 526657043 /nfs/dbraw/zinc/65/70/43/526657043.db2.gz KAAKYCXCLZQRKB-UHFFFAOYSA-N 0 0 448.325 5.069 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000014778942 526659285 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526678113 /nfs/dbraw/zinc/67/81/13/526678113.db2.gz AVGBKIPGIJINBH-UHFFFAOYSA-N 0 0 425.410 5.489 50 0 IKAARN O=C(c1ccc(F)cc1)N(Cc1cccc(OCCc2cccs2)c1)C[C@@H]1CCCO1 ZINC000012164985 526688487 /nfs/dbraw/zinc/68/84/87/526688487.db2.gz QLRUDDJERPHFPT-QHCPKHFHSA-N 0 0 439.552 5.330 50 0 IKAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012913047 526702769 /nfs/dbraw/zinc/70/27/69/526702769.db2.gz WNQQHNWRMMSTIL-AWEZNQCLSA-N 0 0 432.895 5.040 50 0 IKAARN O=C(c1ccc(OCCc2ccccc2)c(Br)c1)N1CCCc2ccccc21 ZINC000012137991 526707667 /nfs/dbraw/zinc/70/76/67/526707667.db2.gz DNTLANGWVBSAAS-UHFFFAOYSA-N 0 0 436.349 5.664 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538031 526715866 /nfs/dbraw/zinc/71/58/66/526715866.db2.gz IFLINMQEGGAONY-UHFFFAOYSA-N 0 0 433.939 5.645 50 0 IKAARN O=C(c1ccc2c(c1)NC(=O)c1ccccc1S2)N1CCC(Cc2ccccc2)CC1 ZINC000020385126 526726405 /nfs/dbraw/zinc/72/64/05/526726405.db2.gz BTOHLFWELCCFOD-UHFFFAOYSA-N 0 0 428.557 5.498 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCCOC(C)C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682187 526728952 /nfs/dbraw/zinc/72/89/52/526728952.db2.gz ORVGUPCYLLDMSW-UHFFFAOYSA-N 0 0 438.593 5.796 50 0 IKAARN O=C(c1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000021715787 526729067 /nfs/dbraw/zinc/72/90/67/526729067.db2.gz GCCIGBJANCGXGO-XMMPIXPASA-N 0 0 430.891 5.338 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)nc1COc1ccccc1 ZINC000020560103 526729739 /nfs/dbraw/zinc/72/97/39/526729739.db2.gz XLKIIJMXTZNFBL-UHFFFAOYSA-N 0 0 428.444 5.210 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682206 526729776 /nfs/dbraw/zinc/72/97/76/526729776.db2.gz GITAHLIZJJBDDP-UHFFFAOYSA-N 0 0 442.584 6.489 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)nc1COc1ccc(C)cc1 ZINC000015682154 526730361 /nfs/dbraw/zinc/73/03/61/526730361.db2.gz MKWUONZGWMLAMC-UHFFFAOYSA-N 0 0 430.479 5.607 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000032984854 526730916 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439.968 5.962 50 0 IKAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000035480788 526733186 /nfs/dbraw/zinc/73/31/86/526733186.db2.gz FACFCZILCNTLCZ-UHFFFAOYSA-N 0 0 434.521 5.287 50 0 IKAARN O=C(CN1CCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000012759367 526734260 /nfs/dbraw/zinc/73/42/60/526734260.db2.gz MZVNNQLMDUHOKI-UHFFFAOYSA-N 0 0 441.962 6.257 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nnc(C)n2c3ccsc3cc12 ZINC000020510687 526734369 /nfs/dbraw/zinc/73/43/69/526734369.db2.gz TZNVLROKRZRUPX-UHFFFAOYSA-N 0 0 426.954 6.162 50 0 IKAARN O=C(NCc1ccccc1)Nc1ccc(-c2nc(-c3cccc(Br)c3)co2)cc1 ZINC000021363520 526735153 /nfs/dbraw/zinc/73/51/53/526735153.db2.gz HKXZYDLUNBFYJN-UHFFFAOYSA-N 0 0 448.320 6.093 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000022475325 526737691 /nfs/dbraw/zinc/73/76/91/526737691.db2.gz DVDJNIQLBCYGNO-GOSISDBHSA-N 0 0 433.533 5.014 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1-c1ncccc1C ZINC000012646050 526741497 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IKAARN O=C(NCc1ccccn1)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1 ZINC000034713097 526764813 /nfs/dbraw/zinc/76/48/13/526764813.db2.gz UPLLRHNQXYWZIT-UHFFFAOYSA-N 0 0 435.936 5.368 50 0 IKAARN O=C(NCc1cccs1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734884 526785138 /nfs/dbraw/zinc/78/51/38/526785138.db2.gz ARJNYGJUERAPJV-VXLYETTFSA-N 0 0 426.950 5.417 50 0 IKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000015224456 526795862 /nfs/dbraw/zinc/79/58/62/526795862.db2.gz SGTFEGFRXLHQGV-UTKZUKDTSA-N 0 0 439.334 5.263 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N(C2=CCCCC2)C2CC2)n1Cc1ccccc1 ZINC000022000073 526796717 /nfs/dbraw/zinc/79/67/17/526796717.db2.gz WIGISWCDCGLVJG-UHFFFAOYSA-N 0 0 448.592 5.436 50 0 IKAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012676458 526799011 /nfs/dbraw/zinc/79/90/11/526799011.db2.gz AIOLSXVPLKMBHN-HSZRJFAPSA-N 0 0 427.500 5.056 50 0 IKAARN Cc1occc1-c1nnc2sc(-c3c(C)oc(-c4cc(Cl)cc(Cl)c4)c3C)nn21 ZINC000033625052 526799638 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O=C(CN1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035271205 526815040 /nfs/dbraw/zinc/81/50/40/526815040.db2.gz IJTHSHYWZIATEW-SBUREZEXSA-N 0 0 437.634 5.073 50 0 IKAARN O=C(NCc1nc2ccccc2s1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032986085 526825474 /nfs/dbraw/zinc/82/54/74/526825474.db2.gz NBHXSXRRXWUWMA-UHFFFAOYSA-N 0 0 431.542 5.660 50 0 IKAARN O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000042384864 526835282 /nfs/dbraw/zinc/83/52/82/526835282.db2.gz NUCHACCEZXUJAP-GFCCVEGCSA-N 0 0 428.457 5.082 50 0 IKAARN O=C(c1cccs1)N(Cc1ccco1)Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000035981312 526835435 /nfs/dbraw/zinc/83/54/35/526835435.db2.gz FLQAHIXINYZBOV-UHFFFAOYSA-N 0 0 445.466 5.447 50 0 IKAARN O=C(c1cccs1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000035073530 526838532 /nfs/dbraw/zinc/83/85/32/526838532.db2.gz FMXAWRCGHYGXPB-DTKUHUSLSA-N 0 0 434.511 6.463 50 0 IKAARN O=C(c1cccs1)[C@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000012197457 526838700 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IKAARN O=C(c1ccsc1)N1CCC[C@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 ZINC000012039722 526862660 /nfs/dbraw/zinc/86/26/60/526862660.db2.gz LLQJQIGWLGUYGU-SFHVURJKSA-N 0 0 444.535 5.426 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1ccc(F)cc1)C2 ZINC000034898458 526865186 /nfs/dbraw/zinc/86/51/86/526865186.db2.gz OCWRMHKCFZQGLR-NOZRDPDXSA-N 0 0 439.534 5.466 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1 ZINC000012691099 526869559 /nfs/dbraw/zinc/86/95/59/526869559.db2.gz SHXBNOBHYWWLPJ-IBGZPJMESA-N 0 0 432.264 5.570 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)n2)c2cccc(F)c2)c1C ZINC000035476885 526884132 /nfs/dbraw/zinc/88/41/32/526884132.db2.gz NIPRBUSOGCLZBF-XMMPIXPASA-N 0 0 445.563 6.661 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)n2)c2ccccn2)c1C ZINC000035476893 526884920 /nfs/dbraw/zinc/88/49/20/526884920.db2.gz NALMRVOAUNUBFO-HSZRJFAPSA-N 0 0 428.561 5.917 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)n2)c2cccc(F)c2)c1C ZINC000035476884 526884959 /nfs/dbraw/zinc/88/49/59/526884959.db2.gz NIPRBUSOGCLZBF-DEOSSOPVSA-N 0 0 445.563 6.661 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2nc(C)cc(C)n2)c2ccsc2)c1C ZINC000035476997 526885044 /nfs/dbraw/zinc/88/50/44/526885044.db2.gz BGXJICVYTKWDQE-OAQYLSRUSA-N 0 0 448.617 6.287 50 0 IKAARN Cc1sc2nc(-c3ccccn3)nc(Oc3ccc(C(N)=O)cc3)c2c1-c1ccccc1 ZINC000022807575 526887192 /nfs/dbraw/zinc/88/71/92/526887192.db2.gz HUCGXPBLHKQIBA-UHFFFAOYSA-N 0 0 438.512 5.620 50 0 IKAARN NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(Cl)c(Cl)c1 ZINC000035396188 526889701 /nfs/dbraw/zinc/88/97/01/526889701.db2.gz HYMNETWKYSHJQA-UVTDQMKNSA-N 0 0 441.314 5.061 50 0 IKAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c2c1C ZINC000035892882 526890796 /nfs/dbraw/zinc/89/07/96/526890796.db2.gz BBPMRMZFNNVXIQ-UHFFFAOYSA-N 0 0 446.595 5.559 50 0 IKAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Br)cc1F ZINC000012926600 526890758 /nfs/dbraw/zinc/89/07/58/526890758.db2.gz GCQCJSXOWOSVRC-IBGZPJMESA-N 0 0 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526905542 /nfs/dbraw/zinc/90/55/42/526905542.db2.gz BHSVGXZKIOWRJJ-CYBMUJFWSA-N 0 0 431.355 5.284 50 0 IKAARN Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccccc3Br)cc2)cs1 ZINC000012819074 526906129 /nfs/dbraw/zinc/90/61/29/526906129.db2.gz BHSVGXZKIOWRJJ-ZDUSSCGKSA-N 0 0 431.355 5.284 50 0 IKAARN Cc1nc(COc2ccc(/C=C/C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 ZINC000022194841 526906146 /nfs/dbraw/zinc/90/61/46/526906146.db2.gz CXWWTJKIIVKOTG-OPGJMIRHSA-N 0 0 444.560 5.107 50 0 IKAARN Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 ZINC000012799386 526908475 /nfs/dbraw/zinc/90/84/75/526908475.db2.gz HZMLYGNMTCBKPQ-QKIXSCASSA-N 0 0 444.560 5.107 50 0 IKAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000035476098 526910457 /nfs/dbraw/zinc/91/04/57/526910457.db2.gz NDWMZSAIGHBXIK-UHFFFAOYSA-N 0 0 435.574 6.023 50 0 IKAARN O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccccc1Br ZINC000033418204 526911086 /nfs/dbraw/zinc/91/10/86/526911086.db2.gz WJSFRVGOPPKVEI-UHFFFAOYSA-N 0 0 447.288 5.099 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)c1ccc(Br)cc1 ZINC000012635001 526912044 /nfs/dbraw/zinc/91/20/44/526912044.db2.gz RZTJBBJVDLJQHC-UHFFFAOYSA-N 0 0 438.321 5.306 50 0 IKAARN O=C(COC(=O)c1ccc(C2SCCS2)cc1)Nc1ccccc1SC(F)F ZINC000012819635 526912537 /nfs/dbraw/zinc/91/25/37/526912537.db2.gz XFSGNHAKWFFSNG-UHFFFAOYSA-N 0 0 441.546 5.275 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000035502560 526915162 /nfs/dbraw/zinc/91/51/62/526915162.db2.gz MDOJEZBLEPGMLF-XMMPIXPASA-N 0 0 438.506 5.834 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988135 526915389 /nfs/dbraw/zinc/91/53/89/526915389.db2.gz PKGUMKNAUROHNC-RUZDIDTESA-N 0 0 439.559 5.869 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000035514348 526916046 /nfs/dbraw/zinc/91/60/46/526916046.db2.gz QCKLSAYFZCCDCF-RUZDIDTESA-N 0 0 438.506 5.834 50 0 IKAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012658455 526916920 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Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000021916559 526935689 /nfs/dbraw/zinc/93/56/89/526935689.db2.gz DFUYRYMOAXXHAN-XMMPIXPASA-N 0 0 444.966 5.297 50 0 IKAARN O=C(COCc1ccccc1)Nc1nnc(SCc2ccccc2C(F)(F)F)s1 ZINC000035924486 526940721 /nfs/dbraw/zinc/94/07/21/526940721.db2.gz FAGFFVYHBZHIRM-UHFFFAOYSA-N 0 0 439.484 5.005 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000022342430 526941393 /nfs/dbraw/zinc/94/13/93/526941393.db2.gz QGELBIXOJGRLAN-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000018134515 526947162 /nfs/dbraw/zinc/94/71/62/526947162.db2.gz ADWDCKSRSUXANJ-GOSISDBHSA-N 0 0 430.451 5.860 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000011917496 526948165 /nfs/dbraw/zinc/94/81/65/526948165.db2.gz NLZOQHMICVTTMT-UHFFFAOYSA-N 0 0 439.334 5.743 50 0 IKAARN Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2Cl)c(Cl)c1 ZINC000035840319 526952459 /nfs/dbraw/zinc/95/24/59/526952459.db2.gz ZXUIPBXRBQDJLE-UHFFFAOYSA-N 0 0 447.778 6.582 50 0 IKAARN Clc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1Cl ZINC000012619344 526952662 /nfs/dbraw/zinc/95/26/62/526952662.db2.gz CYKUCDUVXPQEJY-UHFFFAOYSA-N 0 0 438.449 7.035 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(SCc2cccc(Cl)c2F)s1 ZINC000035924488 526954011 /nfs/dbraw/zinc/95/40/11/526954011.db2.gz ZLWJHGNPTGQKLF-UHFFFAOYSA-N 0 0 444.340 5.294 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000020607755 526955551 /nfs/dbraw/zinc/95/55/51/526955551.db2.gz PIDXJRABTNYGOZ-UHFFFAOYSA-N 0 0 437.392 5.935 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000033862965 526956151 /nfs/dbraw/zinc/95/61/51/526956151.db2.gz NVQRQWDOZXFXKU-UHFFFAOYSA-N 0 0 444.340 5.294 50 0 IKAARN Clc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200437 526957407 /nfs/dbraw/zinc/95/74/07/526957407.db2.gz ILDMQJDFJRVOQJ-UHFFFAOYSA-N 0 0 427.899 5.220 50 0 IKAARN O=C(COc1ccc(F)cc1Br)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000012506720 526959610 /nfs/dbraw/zinc/95/96/10/526959610.db2.gz YZSSJQJRAQBEEH-UHFFFAOYSA-N 0 0 440.272 5.149 50 0 IKAARN Clc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(c3ccccc3)CC2)cc1 ZINC000020852445 526961750 /nfs/dbraw/zinc/96/17/50/526961750.db2.gz WJTTXLCYVHQPCQ-QHCPKHFHSA-N 0 0 430.939 5.302 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000012194427 526962816 /nfs/dbraw/zinc/96/28/16/526962816.db2.gz IDRFIYHBCPGZLG-XLIONFOSSA-N 0 0 429.701 5.938 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c(Cl)c1 ZINC000012192357 526963542 /nfs/dbraw/zinc/96/35/42/526963542.db2.gz JPGWIEFVJMRKKX-AHWVRZQESA-N 0 0 445.349 7.389 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193048 526963917 /nfs/dbraw/zinc/96/39/17/526963917.db2.gz SRWOFOQFTSKALH-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193040 526963988 /nfs/dbraw/zinc/96/39/88/526963988.db2.gz SRWOFOQFTSKALH-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](c1ccc(Br)cc1)O2 ZINC000035109559 526968072 /nfs/dbraw/zinc/96/80/72/526968072.db2.gz DDXKFBPRSRVTLC-FXAWDEMLSA-N 0 0 429.701 5.938 50 0 IKAARN O=C1CCCCC[C@H]1Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000012522455 526971241 /nfs/dbraw/zinc/97/12/41/526971241.db2.gz TXIJHAQEHYHPIV-GOSISDBHSA-N 0 0 443.370 5.086 50 0 IKAARN O=C(COc1ccc2ccccc2c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000012794890 526971145 /nfs/dbraw/zinc/97/11/45/526971145.db2.gz VHBYWKYRICAXST-UHFFFAOYSA-N 0 0 433.895 5.113 50 0 IKAARN O=C1CCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000012522456 526971390 /nfs/dbraw/zinc/97/13/90/526971390.db2.gz TXIJHAQEHYHPIV-SFHVURJKSA-N 0 0 443.370 5.086 50 0 IKAARN O=C(COc1ccc2ccc(=O)oc2c1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000017674023 526972319 /nfs/dbraw/zinc/97/23/19/526972319.db2.gz JANILIYIUMYHSQ-OAQYLSRUSA-N 0 0 429.497 5.052 50 0 IKAARN Clc1cccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2cccnc2)c1 ZINC000035840202 526972544 /nfs/dbraw/zinc/97/25/44/526972544.db2.gz MBIZKJJVIKJZHX-UHFFFAOYSA-N 0 0 447.778 6.582 50 0 IKAARN Clc1cccc(-n2c(-c3ccccc3)cn3c2nc(-c2ccccc2)c3-c2ccccc2)c1 ZINC000012376999 526972942 /nfs/dbraw/zinc/97/29/42/526972942.db2.gz HZSXJTQNULTKDC-UHFFFAOYSA-N 0 0 445.953 7.779 50 0 IKAARN Clc1cccc(COc2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000012360399 526977254 /nfs/dbraw/zinc/97/72/54/526977254.db2.gz LZNYSEQTPGZFJX-PKNBQFBNSA-N 0 0 441.745 7.339 50 0 IKAARN Clc1cccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 ZINC000012620812 526977972 /nfs/dbraw/zinc/97/79/72/526977972.db2.gz NOSXGAXVBFHVPO-UHFFFAOYSA-N 0 0 426.010 6.119 50 0 IKAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000012521983 526978062 /nfs/dbraw/zinc/97/80/62/526978062.db2.gz PTPIBHVOIUWWRY-UHFFFAOYSA-N 0 0 437.455 5.700 50 0 IKAARN O=C(COc1ccccc1)Nc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000012855135 526985092 /nfs/dbraw/zinc/98/50/92/526985092.db2.gz 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O=C(CSC1=Nc2ccccc2N=C(c2ccccn2)C1)N[C@H]1CCc2ccccc21 ZINC000035463024 527012379 /nfs/dbraw/zinc/01/23/79/527012379.db2.gz XBSOLLKHOJBAJK-IBGZPJMESA-N 0 0 426.545 5.173 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1ccc(F)cc1F ZINC000021096119 527012605 /nfs/dbraw/zinc/01/26/05/527012605.db2.gz OIZOKVVNVYLPQK-UHFFFAOYSA-N 0 0 439.462 6.030 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)NCCCc1ccccc1 ZINC000021096215 527012763 /nfs/dbraw/zinc/01/27/63/527012763.db2.gz AJSLDEQFOKTGNJ-UHFFFAOYSA-N 0 0 445.563 5.862 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccn2)C1)Nc1ccc2c(c1)CCC2 ZINC000035462985 527012840 /nfs/dbraw/zinc/01/28/40/527012840.db2.gz AJSWHWVDIKNPGE-UHFFFAOYSA-N 0 0 426.545 5.497 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1ccc2c(c1)OCO2 ZINC000021096132 527012932 /nfs/dbraw/zinc/01/29/32/527012932.db2.gz JUIUGBDOCBYRBO-UHFFFAOYSA-N 0 0 447.491 5.481 50 0 IKAARN O=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1 ZINC000012858950 527016033 /nfs/dbraw/zinc/01/60/33/527016033.db2.gz LVCIJJOLWUXUSW-UHFFFAOYSA-N 0 0 440.362 5.671 50 0 IKAARN Cc1nc(SCC(=O)N(C)Cc2ccccc2Br)n(C2CCCC2)c1C ZINC000012556701 527015987 /nfs/dbraw/zinc/01/59/87/527015987.db2.gz RHQOYWJMKZZKHU-UHFFFAOYSA-N 0 0 436.419 5.128 50 0 IKAARN O=C1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002947509 527016848 /nfs/dbraw/zinc/01/68/48/527016848.db2.gz NGVMKBALMRRSKS-MHZLTWQESA-N 0 0 439.536 7.050 50 0 IKAARN Cn1c(/C=C(\OC(=O)c2ccccc2)c2ccccc2)nc2cc(Br)ccc21 ZINC000035404348 527019268 /nfs/dbraw/zinc/01/92/68/527019268.db2.gz XBENPJPYLOAJFJ-QNGOZBTKSA-N 0 0 433.305 5.691 50 0 IKAARN O=C1C[C@@H](c2cccc(Oc3ncccn3)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263584832 527023182 /nfs/dbraw/zinc/02/31/82/527023182.db2.gz BIQHLEJILTYTTK-QFIPXVFZSA-N 0 0 446.510 5.746 50 0 biogenic IKAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCc1ccc(Cl)cc1 ZINC000032952551 527027175 /nfs/dbraw/zinc/02/71/75/527027175.db2.gz YAMVMQIRRWJKPZ-UHFFFAOYSA-N 0 0 431.995 5.461 50 0 IKAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000021728809 527032019 /nfs/dbraw/zinc/03/20/19/527032019.db2.gz ITXAUOBLZSSECD-LJQANCHMSA-N 0 0 443.890 5.396 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983865 527041371 /nfs/dbraw/zinc/04/13/71/527041371.db2.gz HABXRZJUNQHKCK-SGSZHJQISA-N 0 0 444.918 5.519 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000035502557 527041852 /nfs/dbraw/zinc/04/18/52/527041852.db2.gz MDOJEZBLEPGMLF-DEOSSOPVSA-N 0 0 438.506 5.834 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC12CC3CC(CC(C3)C1)C2 ZINC000014358964 527051211 /nfs/dbraw/zinc/05/12/11/527051211.db2.gz SIFVYSXPVOBKBK-UHFFFAOYSA-N 0 0 443.616 5.921 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000012249813 527051364 /nfs/dbraw/zinc/05/13/64/527051364.db2.gz ADOUNUTYHJTGEN-UHFFFAOYSA-N 0 0 426.497 5.514 50 0 IKAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1cccc2ccccc21 ZINC000012568384 527051604 /nfs/dbraw/zinc/05/16/04/527051604.db2.gz DHGRZFWMAADGBA-UHFFFAOYSA-N 0 0 429.332 5.663 50 0 IKAARN NC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 ZINC000017230630 527051924 /nfs/dbraw/zinc/05/19/24/527051924.db2.gz IDUZJJQHQGXKHO-UHFFFAOYSA-N 0 0 438.915 5.118 50 0 IKAARN Cn1c(CN2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000012202067 527053414 /nfs/dbraw/zinc/05/34/14/527053414.db2.gz SWPFEBCLKKKORA-KRWDZBQOSA-N 0 0 444.501 5.223 50 0 IKAARN Cn1c(CN2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000012202075 527054875 /nfs/dbraw/zinc/05/48/75/527054875.db2.gz SWPFEBCLKKKORA-QGZVFWFLSA-N 0 0 444.501 5.223 50 0 IKAARN O=C1N=C(c2ccccc2)C(c2ccc3ccccc3n2)[C@H](c2ccc(OC(F)F)cc2)N1 ZINC000012560396 527057458 /nfs/dbraw/zinc/05/74/58/527057458.db2.gz BBEKMJWTPJFAHM-DEOSSOPVSA-N 0 0 443.453 5.759 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000035924566 527060622 /nfs/dbraw/zinc/06/06/22/527060622.db2.gz MVAJNDFFHNRRNN-UHFFFAOYSA-N 0 0 441.339 5.668 50 0 IKAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)c1ccc(Cl)cc1Cl ZINC000016492549 527060789 /nfs/dbraw/zinc/06/07/89/527060789.db2.gz KCDVQWXVIQZNSC-UHFFFAOYSA-N 0 0 425.340 6.579 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000012580694 527060883 /nfs/dbraw/zinc/06/08/83/527060883.db2.gz ZWDQYMSRLHOXJL-UHFFFAOYSA-N 0 0 434.590 5.224 50 0 IKAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012578443 527062095 /nfs/dbraw/zinc/06/20/95/527062095.db2.gz PTYANRLZQNQFAF-UHFFFAOYSA-N 0 0 428.344 6.063 50 0 IKAARN O=C(CSc1nc2ccccc2n1C1CCCCC1)c1ccc(Br)s1 ZINC000012360403 527062493 /nfs/dbraw/zinc/06/24/93/527062493.db2.gz PRWXUAHHPZOLLJ-UHFFFAOYSA-N 0 0 435.412 6.341 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)OCc1ccccc1F ZINC000033013987 527063495 /nfs/dbraw/zinc/06/34/95/527063495.db2.gz PZEMGEBETFJVDE-UHFFFAOYSA-N 0 0 440.927 5.713 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020509233 527064969 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O=C(CSc1nnc(C2CC2)n1C1CC1)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009817965 527081406 /nfs/dbraw/zinc/08/14/06/527081406.db2.gz CHYKGGDBXBQUFL-UHFFFAOYSA-N 0 0 432.524 5.753 50 0 IKAARN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1cccc(C(F)(F)F)c1 ZINC000012428819 527081848 /nfs/dbraw/zinc/08/18/48/527081848.db2.gz IXLPZEIFFQPGRL-UHFFFAOYSA-N 0 0 437.487 5.287 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1c(F)cccc1F ZINC000012614073 527083382 /nfs/dbraw/zinc/08/33/82/527083382.db2.gz RPGRKWGFGNCPFJ-UHFFFAOYSA-N 0 0 435.883 5.099 50 0 IKAARN Cn1c(SCc2ccccc2)nnc1-c1cccc(NC(=O)/C=C\c2ccccc2)c1 ZINC000033334222 527087302 /nfs/dbraw/zinc/08/73/02/527087302.db2.gz NZSFBODEHIVUPN-NXVVXOECSA-N 0 0 426.545 5.426 50 0 IKAARN Cn1c(SCc2ccccc2)nnc1-c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000000680512 527088186 /nfs/dbraw/zinc/08/81/86/527088186.db2.gz AWQFKBMHNZTZRS-SFQUDFHCSA-N 0 0 426.545 5.426 50 0 IKAARN Cn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000012796526 527089029 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527290470 /nfs/dbraw/zinc/29/04/70/527290470.db2.gz VTYCJUOXMYIEDF-UHFFFAOYSA-N 0 0 428.423 5.007 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccc(Br)c1 ZINC000000809023 527305320 /nfs/dbraw/zinc/30/53/20/527305320.db2.gz AFSQQSRLJNOBHU-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cc2ccccc2o1 ZINC000001067689 527306673 /nfs/dbraw/zinc/30/66/73/527306673.db2.gz USJSVGRPJNGCND-UHFFFAOYSA-N 0 0 434.249 5.651 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000012313898 527307880 /nfs/dbraw/zinc/30/78/80/527307880.db2.gz QHBBOMJXUHDJBU-FQEVSTJZSA-N 0 0 427.548 5.368 50 0 IKAARN O=S1(=O)N=C(SCc2cccc(Cl)c2)N(Cc2ccccc2)c2ccccc21 ZINC000021117542 527316753 /nfs/dbraw/zinc/31/67/53/527316753.db2.gz UPIQEJFARXMFSL-UHFFFAOYSA-N 0 0 428.966 5.338 50 0 IKAARN O=C(Nc1cccc(Br)c1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021663308 527323102 /nfs/dbraw/zinc/32/31/02/527323102.db2.gz VUXWIUCJKMNUMH-UHFFFAOYSA-N 0 0 435.281 5.810 50 0 IKAARN 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O=C(Nc1cccc(Cl)c1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021536447 527342573 /nfs/dbraw/zinc/34/25/73/527342573.db2.gz IIGPSRYVIUNUAM-DEOSSOPVSA-N 0 0 449.888 6.546 50 0 IKAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908727 527350540 /nfs/dbraw/zinc/35/05/40/527350540.db2.gz LUVFNTXVQAELNN-NRFANRHFSA-N 0 0 437.421 6.281 50 0 IKAARN O=C(Nc1cccc(Oc2ccccc2)c1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000012749711 527367652 /nfs/dbraw/zinc/36/76/52/527367652.db2.gz ROGSNESYFKZBKP-FQEVSTJZSA-N 0 0 439.558 5.010 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1)c1cccc(Cl)c1 ZINC000035910125 527372561 /nfs/dbraw/zinc/37/25/61/527372561.db2.gz ZFDNCFKFUYMBNZ-QFIPXVFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1)Nc1ccc(F)cc1F ZINC000035910207 527372740 /nfs/dbraw/zinc/37/27/40/527372740.db2.gz WKXOXAONPHNVIV-NRFANRHFSA-N 0 0 443.450 5.527 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1Cl ZINC000035927300 527372851 /nfs/dbraw/zinc/37/28/51/527372851.db2.gz KOLBWEPOBRKCES-QFIPXVFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1cccc2c1CCCC2)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021536402 527378524 /nfs/dbraw/zinc/37/85/24/527378524.db2.gz GYLBHLRUKQYOIC-NDEPHWFRSA-N 0 0 433.555 6.493 50 0 IKAARN O=C(Nc1cccc2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000012376001 527383925 /nfs/dbraw/zinc/38/39/25/527383925.db2.gz QABJVSLIGRSXGH-UHFFFAOYSA-N 0 0 428.535 6.953 50 0 IKAARN O=C(Nc1ccccc1)C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000012695242 527391295 /nfs/dbraw/zinc/39/12/95/527391295.db2.gz CYWHJHHMFFALKJ-UHFFFAOYSA-N 0 0 448.979 5.867 50 0 IKAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(-c3ccccc3F)o2)s1 ZINC000022608468 527399702 /nfs/dbraw/zinc/39/97/02/527399702.db2.gz PIIBAIFRJZVNTO-VBKFSLOCSA-N 0 0 425.872 5.926 50 0 IKAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cc(Cl)ccc1Cl ZINC000012917801 527406784 /nfs/dbraw/zinc/40/67/84/527406784.db2.gz LMZDJXBKBWFLNY-UHFFFAOYSA-N 0 0 436.345 5.132 50 0 IKAARN O=C(Nc1ccccc1C(=O)N(CCc1ccccc1)Cc1cccs1)c1ccco1 ZINC000012593949 527407635 /nfs/dbraw/zinc/40/76/35/527407635.db2.gz RCUSLXOKXBKCEU-UHFFFAOYSA-N 0 0 430.529 5.479 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021649833 527410214 /nfs/dbraw/zinc/41/02/14/527410214.db2.gz AWQBMZBXSBNTIG-UHFFFAOYSA-N 0 0 426.442 5.445 50 0 biogenic IKAARN Cn1cccc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 ZINC000001409662 527412438 /nfs/dbraw/zinc/41/24/38/527412438.db2.gz LDTNQPPHUKXYCP-FQEVSTJZSA-N 0 0 435.940 5.326 50 0 IKAARN O=C(Nc1ccccc1Cl)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048400 527416352 /nfs/dbraw/zinc/41/63/52/527416352.db2.gz NUECNKUBTKVODG-JOCHJYFZSA-N 0 0 440.971 6.599 50 0 IKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888697 527420921 /nfs/dbraw/zinc/42/09/21/527420921.db2.gz RUTMEMVANVQFRG-DEOSSOPVSA-N 0 0 431.898 6.407 50 0 IKAARN O=C(Nc1ccccc1I)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012766963 527424238 /nfs/dbraw/zinc/42/42/38/527424238.db2.gz NCWVXXNZDUJUMH-IBGZPJMESA-N 0 0 445.325 5.763 50 0 IKAARN Nc1c(C(=O)C(F)(F)F)sc2nc3c(c(-c4ccco4)c12)CC/C3=C/c1ccco1 ZINC000012312228 527425309 /nfs/dbraw/zinc/42/53/09/527425309.db2.gz XCMXDUDFNOQQPV-KTKRTIGZSA-N 0 0 430.407 5.963 50 0 IKAARN Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1cccs1 ZINC000012342059 527429129 /nfs/dbraw/zinc/42/91/29/527429129.db2.gz BHWQHXXVSCNUCW-UHFFFAOYSA-N 0 0 429.423 5.085 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c12 ZINC000012250436 527429252 /nfs/dbraw/zinc/42/92/52/527429252.db2.gz FFTIISIOWURNRD-UHFFFAOYSA-N 0 0 445.931 6.711 50 0 IKAARN Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000012342060 527429381 /nfs/dbraw/zinc/42/93/81/527429381.db2.gz NNNFYVBLXIVNDL-UHFFFAOYSA-N 0 0 441.384 5.163 50 0 IKAARN Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1cccs1 ZINC000012342127 527429980 /nfs/dbraw/zinc/42/99/80/527429980.db2.gz RXMZARIXZUIEHD-UHFFFAOYSA-N 0 0 430.316 5.373 50 0 IKAARN O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)s2)sc2nc3ccccc3n12 ZINC000008396148 527432062 /nfs/dbraw/zinc/43/20/62/527432062.db2.gz CTSATUSJSRSFQW-BOPFTXTBSA-N 0 0 426.975 5.323 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020767841 527433333 /nfs/dbraw/zinc/43/33/33/527433333.db2.gz LWPLGPKDPYJRIP-UHFFFAOYSA-N 0 0 439.496 5.468 50 0 IKAARN O=C(N(c1ccccn1)c1ccccn1)C12C[C@@H]3C[C@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 ZINC000012558956 527434574 /nfs/dbraw/zinc/43/45/74/527434574.db2.gz APSVMSHNBSRVJX-YDXVBCDDSA-N 0 0 443.978 6.333 50 0 IKAARN Nc1c(NC(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)nn1-c1cc(F)ccc1F ZINC000035868160 527434767 /nfs/dbraw/zinc/43/47/67/527434767.db2.gz CMZAOECCJDOLGS-UHFFFAOYSA-N 0 0 445.901 5.507 50 0 IKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c12 ZINC000020615181 527436500 /nfs/dbraw/zinc/43/65/00/527436500.db2.gz YJRHDEGZYXHRTD-UHFFFAOYSA-N 0 0 432.254 5.782 50 0 IKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000020615133 527436641 /nfs/dbraw/zinc/43/66/41/527436641.db2.gz HKDYJIHGZBYMLM-UHFFFAOYSA-N 0 0 442.318 6.481 50 0 IKAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1ccccc1)nc2-c1ccccc1Cl ZINC000035929695 527437802 /nfs/dbraw/zinc/43/78/02/527437802.db2.gz JESOWBFMFYIBBN-UHFFFAOYSA-N 0 0 440.938 5.389 50 0 IKAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1cccc(F)c1)nc2-c1ccc(F)cc1 ZINC000035930112 527438280 /nfs/dbraw/zinc/43/82/80/527438280.db2.gz XRTQUBRDDOVXTQ-UHFFFAOYSA-N 0 0 446.436 5.094 50 0 IKAARN O=c1[nH]c(CSc2ncc(-c3ccccc3)n2-c2ccccc2)nc2cc(Cl)ccc12 ZINC000012535622 527438829 /nfs/dbraw/zinc/43/88/29/527438829.db2.gz PEQRHGFWAUALGA-UHFFFAOYSA-N 0 0 444.947 5.722 50 0 IKAARN O=c1nc(CSc2ncnc3ccccc32)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000021174953 527439721 /nfs/dbraw/zinc/43/97/21/527439721.db2.gz AKWKMCPBZLFUBK-UHFFFAOYSA-N 0 0 436.949 5.541 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Cl)cc1 ZINC000022749867 527452564 /nfs/dbraw/zinc/45/25/64/527452564.db2.gz JXCUJAQFOMGOEZ-QHCPKHFHSA-N 0 0 449.913 5.311 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012560377 527452656 /nfs/dbraw/zinc/45/26/56/527452656.db2.gz NILMCKLMEKTDHK-QHCPKHFHSA-N 0 0 449.913 5.311 50 0 IKAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2ccccc2Cl)no1 ZINC000012879493 527454574 /nfs/dbraw/zinc/45/45/74/527454574.db2.gz GJMISOLUXOTRNX-UHFFFAOYSA-N 0 0 438.871 5.016 50 0 IKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1ccccc1Cl ZINC000035400281 527456929 /nfs/dbraw/zinc/45/69/29/527456929.db2.gz NEZQNJGCXSOPSB-UHFFFAOYSA-N 0 0 434.326 5.755 50 0 IKAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1c(F)cccc1Cl ZINC000035400305 527457063 /nfs/dbraw/zinc/45/70/63/527457063.db2.gz VDFCSONIRVCEAD-UHFFFAOYSA-N 0 0 435.861 5.379 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccccc1F ZINC000002979128 527459157 /nfs/dbraw/zinc/45/91/57/527459157.db2.gz ASPYAKXGIAKBLH-UHFFFAOYSA-N 0 0 441.940 5.883 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1Cl ZINC000001839979 527459789 /nfs/dbraw/zinc/45/97/89/527459789.db2.gz WZSGYEMVWCXDCE-UHFFFAOYSA-N 0 0 441.906 5.476 50 0 IKAARN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 ZINC000002954507 527460961 /nfs/dbraw/zinc/46/09/61/527460961.db2.gz KJSDTCYGGMEWQM-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000001176368 527461199 /nfs/dbraw/zinc/46/11/99/527461199.db2.gz WZOOBYQZSQPYBZ-UHFFFAOYSA-N 0 0 443.315 5.323 50 0 IKAARN O=c1c2ccc(Cl)cc2nc(/C=C/c2ccc(OC(F)F)cc2)n1-c1cccc(F)c1 ZINC000020662655 527462369 /nfs/dbraw/zinc/46/23/69/527462369.db2.gz IBERWQWLISUVRO-IZZDOVSWSA-N 0 0 442.824 5.950 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1F ZINC000012507627 527463495 /nfs/dbraw/zinc/46/34/95/527463495.db2.gz NLBVVWDJUOJBDY-PKTZIBPZSA-N 0 0 431.536 5.298 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000012375273 527465781 /nfs/dbraw/zinc/46/57/81/527465781.db2.gz UVNGWUSBFHPOHO-OUKQBFOZSA-N 0 0 426.825 6.228 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009540402 527466170 /nfs/dbraw/zinc/46/61/70/527466170.db2.gz MAPWYVCDDIKJPQ-QFIPXVFZSA-N 0 0 432.951 5.098 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1-c1ccc(F)cc1 ZINC000035910992 527466886 /nfs/dbraw/zinc/46/68/86/527466886.db2.gz VVKMDGVXPOODOH-UHFFFAOYSA-N 0 0 430.426 5.836 50 0 IKAARN O=c1c2sc(-c3ccc(Br)cc3)cc2ncn1Cc1c(F)cccc1Cl ZINC000013113561 527471346 /nfs/dbraw/zinc/47/13/46/527471346.db2.gz DPNCGTLIMNMFGF-UHFFFAOYSA-N 0 0 449.732 5.728 50 0 IKAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1sc2ccccc2c1Cl ZINC000012635468 527472148 /nfs/dbraw/zinc/47/21/48/527472148.db2.gz RLWRUDZFSLIPGU-UHFFFAOYSA-N 0 0 429.932 6.660 50 0 IKAARN Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012191886 527484217 /nfs/dbraw/zinc/48/42/17/527484217.db2.gz CQCUMYPSWYMXLR-FQEVSTJZSA-N 0 0 434.561 5.298 50 0 IKAARN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccc(Br)c1 ZINC000012376914 527505561 /nfs/dbraw/zinc/50/55/61/527505561.db2.gz UOGHWAOGERHTTO-UHFFFAOYSA-N 0 0 427.245 5.844 50 0 IKAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(SCc2cscn2)cc1 ZINC000012767309 527507796 /nfs/dbraw/zinc/50/77/96/527507796.db2.gz RHPNACJFZMRWCC-UHFFFAOYSA-N 0 0 430.624 5.130 50 0 IKAARN O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1cc(=O)c2ccccc2o1 ZINC000012230239 527508678 /nfs/dbraw/zinc/50/86/78/527508678.db2.gz CEZWMOYIDJGITJ-UHFFFAOYSA-N 0 0 426.494 5.074 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1cccc(C(=O)Nc2nc3ccccc3s2)c1 ZINC000012360452 527516867 /nfs/dbraw/zinc/51/68/67/527516867.db2.gz SREUNEYXRYARJY-UHFFFAOYSA-N 0 0 430.514 5.411 50 0 IKAARN O=C(NC1CCCCC1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000033027790 527518341 /nfs/dbraw/zinc/51/83/41/527518341.db2.gz SKGIXPKJFNZQOI-UHFFFAOYSA-N 0 0 425.960 5.235 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1C ZINC000033258605 527518614 /nfs/dbraw/zinc/51/86/14/527518614.db2.gz XCFRJKUVRJIXPY-UHFFFAOYSA-N 0 0 431.471 5.198 50 0 IKAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccncc1 ZINC000012749571 527518875 /nfs/dbraw/zinc/51/88/75/527518875.db2.gz AGEKGXAHAHEAOT-UHFFFAOYSA-N 0 0 431.361 5.419 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2cc(Br)ccc2OC=C1 ZINC000012274580 527518943 /nfs/dbraw/zinc/51/89/43/527518943.db2.gz SRRMXPJWDIVIFL-UHFFFAOYSA-N 0 0 439.334 5.425 50 0 IKAARN O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021162619 527519090 /nfs/dbraw/zinc/51/90/90/527519090.db2.gz CTPYAWNDLKYMAW-UHFFFAOYSA-N 0 0 448.586 5.279 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012794873 527519280 /nfs/dbraw/zinc/51/92/80/527519280.db2.gz SJEFASOCVLOJKD-MQVJKMGUSA-N 0 0 434.627 5.424 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)Nc1c(C)cccc1C ZINC000033258633 527519261 /nfs/dbraw/zinc/51/92/61/527519261.db2.gz DVXXYLVDCCKDAR-UHFFFAOYSA-N 0 0 441.535 5.757 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc2c(c1)OCCCO2 ZINC000012899402 527519417 /nfs/dbraw/zinc/51/94/17/527519417.db2.gz NQJLBNXDWAEGHB-UHFFFAOYSA-N 0 0 434.439 5.166 50 0 IKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000035170979 527521591 /nfs/dbraw/zinc/52/15/91/527521591.db2.gz YHSZPMYGJQFMLB-FQEVSTJZSA-N 0 0 429.907 5.604 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N3CCc4ccccc43)c(C)c12 ZINC000020437108 527522025 /nfs/dbraw/zinc/52/20/25/527522025.db2.gz MWYVQZZJCBBJPL-UHFFFAOYSA-N 0 0 438.575 5.485 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(Cl)c1C=C(Cl)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000012633312 527522802 /nfs/dbraw/zinc/52/28/02/527522802.db2.gz JAEUVYQWJHLMSD-SXGWCWSVSA-N 0 0 445.375 5.794 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(Oc2cccc(F)c2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035975531 527525833 /nfs/dbraw/zinc/52/58/33/527525833.db2.gz DNWIETNNSZRNKK-UHFFFAOYSA-N 0 0 441.934 5.913 50 0 IKAARN O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1 ZINC000020616532 527527151 /nfs/dbraw/zinc/52/71/51/527527151.db2.gz YOFAUTLJBCJNRB-PYCFMQQDSA-N 0 0 426.295 5.137 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012578850 527529159 /nfs/dbraw/zinc/52/91/59/527529159.db2.gz HIZDSOSFHNTUCZ-DEOSSOPVSA-N 0 0 429.886 5.962 50 0 IKAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012788033 527533138 /nfs/dbraw/zinc/53/31/38/527533138.db2.gz CSSXCACCBVATRW-UHFFFAOYSA-N 0 0 449.860 5.003 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NC[C@@H](C)c3ccccc3)c12 ZINC000020579067 527536004 /nfs/dbraw/zinc/53/60/04/527536004.db2.gz YXTYYNZSCKUVOT-OAHLLOKOSA-N 0 0 432.955 5.533 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2C(F)(F)F)s1)c1cccc(Cl)c1 ZINC000035924487 527536012 /nfs/dbraw/zinc/53/60/12/527536012.db2.gz NTKYASWFMZFNHS-UHFFFAOYSA-N 0 0 429.876 5.755 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)c2ccc(F)cc2)C2CC2)c1Oc1ccccc1 ZINC000035977830 527536159 /nfs/dbraw/zinc/53/61/59/527536159.db2.gz JOVOXZRQBYZSQX-UHFFFAOYSA-N 0 0 441.506 5.823 50 0 IKAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc21 ZINC000020239117 527536428 /nfs/dbraw/zinc/53/64/28/527536428.db2.gz DVNHHWXRWXCZBJ-UHFFFAOYSA-N 0 0 435.858 6.226 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(CC2CC2)C(=O)c2cccs2)c1Oc1ccccc1 ZINC000035977972 527536835 /nfs/dbraw/zinc/53/68/35/527536835.db2.gz GTUYDRUYLJUUGB-UHFFFAOYSA-N 0 0 443.572 5.993 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000032983633 527547406 /nfs/dbraw/zinc/54/74/06/527547406.db2.gz DTMPDTDGNRGUTG-INIZCTEOSA-N 0 0 436.968 5.464 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CN(C)CCOc1ccc(Br)cc1 ZINC000012686816 527547828 /nfs/dbraw/zinc/54/78/28/527547828.db2.gz YJNHMYGWFCPBEA-UHFFFAOYSA-N 0 0 434.765 5.107 50 0 IKAARN OCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc2ccccc21 ZINC000015746383 527547850 /nfs/dbraw/zinc/54/78/50/527547850.db2.gz OMMLRANMSASXQA-GYHWCHFESA-N 0 0 439.378 5.747 50 0 IKAARN Cn1nc(C(C)(C)C)c2c1-c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1C2=O ZINC000035623057 527548309 /nfs/dbraw/zinc/54/83/09/527548309.db2.gz HUIUJNLMUZXOIP-UHFFFAOYSA-N 0 0 442.441 5.592 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C1CCC1)C(C)C ZINC000035976245 527548766 /nfs/dbraw/zinc/54/87/66/527548766.db2.gz QEQPCYYETGXFIB-UHFFFAOYSA-N 0 0 439.506 5.788 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)C1CCCC1)C1CC1 ZINC000035980156 527548882 /nfs/dbraw/zinc/54/88/82/527548882.db2.gz YSBXEHDOKLERDU-UHFFFAOYSA-N 0 0 449.982 6.308 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035980147 527549532 /nfs/dbraw/zinc/54/95/32/527549532.db2.gz FRVFZNOUBMULDF-UHFFFAOYSA-N 0 0 435.955 5.918 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)NC(C)C ZINC000035971089 527549998 /nfs/dbraw/zinc/54/99/98/527549998.db2.gz UUBBJRIAPFADSL-HSZRJFAPSA-N 0 0 448.567 5.072 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C(=O)C(C)C ZINC000035970641 527550713 /nfs/dbraw/zinc/55/07/13/527550713.db2.gz FAGORKKHKWHHFK-UHFFFAOYSA-N 0 0 429.520 5.751 50 0 IKAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)sc21 ZINC000020608223 527551037 /nfs/dbraw/zinc/55/10/37/527551037.db2.gz WSGWNBKQAAARGV-UHFFFAOYSA-N 0 0 441.438 5.245 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCc3ccc(Cl)cc3)cc1CC2 ZINC000021043350 527551907 /nfs/dbraw/zinc/55/19/07/527551907.db2.gz RSBOGTAPCAYIFR-UHFFFAOYSA-N 0 0 433.964 5.591 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)N(c1ccccc1)C(=O)N2 ZINC000012788450 527553648 /nfs/dbraw/zinc/55/36/48/527553648.db2.gz BMHWKUAPMWADPG-QFIPXVFZSA-N 0 0 448.448 6.341 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)c(F)c1)c1c(=O)oc3ccccc3c1N2 ZINC000012561730 527554150 /nfs/dbraw/zinc/55/41/50/527554150.db2.gz XBDODGGADIVWOW-JOCHJYFZSA-N 0 0 441.437 5.803 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(Br)c(C)c3)c12 ZINC000036617037 527555076 /nfs/dbraw/zinc/55/50/76/527555076.db2.gz ACHZNTLQURUSPC-UHFFFAOYSA-N 0 0 435.325 5.361 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccn(Cc4ccccc4C)n3)cc12 ZINC000020615962 527556007 /nfs/dbraw/zinc/55/60/07/527556007.db2.gz SIUZAJOFTZUJCY-UHFFFAOYSA-N 0 0 427.533 5.201 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3c(C)nn(-c4ccccc4)c3C)cc12 ZINC000020616105 527556348 /nfs/dbraw/zinc/55/63/48/527556348.db2.gz QDOQSROFURMNPC-UHFFFAOYSA-N 0 0 441.560 5.128 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012564926 527564728 /nfs/dbraw/zinc/56/47/28/527564728.db2.gz ZZKNQLQJYBMYOK-DEOSSOPVSA-N 0 0 446.341 6.477 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000020892987 527564752 /nfs/dbraw/zinc/56/47/52/527564752.db2.gz PUVDYMAFFHLQRI-OAQYLSRUSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000020892983 527565006 /nfs/dbraw/zinc/56/50/06/527565006.db2.gz PUVDYMAFFHLQRI-NRFANRHFSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3c(C)cccc3C)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893614 527568813 /nfs/dbraw/zinc/56/88/13/527568813.db2.gz UYIZZYIMFCDCAP-UHFFFAOYSA-N 0 0 444.604 6.022 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCCC3)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000020893470 527568891 /nfs/dbraw/zinc/56/88/91/527568891.db2.gz GPUADCPKCGFEPR-UHFFFAOYSA-N 0 0 428.989 5.124 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000033271520 527571328 /nfs/dbraw/zinc/57/13/28/527571328.db2.gz UMXIGGJBQDBLCZ-KRWDZBQOSA-N 0 0 432.549 5.360 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000015868349 527571550 /nfs/dbraw/zinc/57/15/50/527571550.db2.gz JZFHEJQOJYOLSM-CYBMUJFWSA-N 0 0 443.359 5.880 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000020891331 527571763 /nfs/dbraw/zinc/57/17/63/527571763.db2.gz HVPMIAYHPUGRFL-GOSISDBHSA-N 0 0 426.954 5.219 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868205 527571790 /nfs/dbraw/zinc/57/17/90/527571790.db2.gz JRXISXXEUIAIMH-ZDUSSCGKSA-N 0 0 429.332 5.571 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000021661022 527571805 /nfs/dbraw/zinc/57/18/05/527571805.db2.gz LOZSFUQVNPWZFB-LBPRGKRZSA-N 0 0 426.904 5.365 50 0 IKAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccc(-c3cccc(Cl)c3)o1)CC(=O)N2 ZINC000021661304 527571812 /nfs/dbraw/zinc/57/18/12/527571812.db2.gz SFGKMTWQVXHKLN-INIZCTEOSA-N 0 0 443.894 5.445 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1OC1CCCC1)CC(=O)N2 ZINC000021726206 527573031 /nfs/dbraw/zinc/57/30/31/527573031.db2.gz TYCKVTBGSTVESJ-SFHVURJKSA-N 0 0 444.560 5.586 50 0 IKAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(Oc3ccccc3)c1)SCC(=O)N2 ZINC000020714615 527573176 /nfs/dbraw/zinc/57/31/76/527573176.db2.gz XAVASKTZHIKNMU-NRFANRHFSA-N 0 0 429.505 5.187 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000012469503 527585288 /nfs/dbraw/zinc/58/52/88/527585288.db2.gz LBOPPVHNGFXFDM-GRWLRTQVSA-N 0 0 448.489 5.083 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000012374896 527585470 /nfs/dbraw/zinc/58/54/70/527585470.db2.gz PHVXLAKSMKFXKE-KJFMWHJSSA-N 0 0 448.489 5.083 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000012469499 527585589 /nfs/dbraw/zinc/58/55/89/527585589.db2.gz LBOPPVHNGFXFDM-YBZPJSEDSA-N 0 0 448.489 5.083 50 0 IKAARN O=C(/C(=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1)N1CCCc2ccccc21 ZINC000012562461 527591730 /nfs/dbraw/zinc/59/17/30/527591730.db2.gz KDXILXGRWKFOBW-SGWCAAJKSA-N 0 0 433.526 7.013 50 0 IKAARN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012603796 527616202 /nfs/dbraw/zinc/61/62/02/527616202.db2.gz SXTGYSZEZCZJEX-VMSUTVGLSA-N 0 0 449.404 5.143 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000035181010 527625042 /nfs/dbraw/zinc/62/50/42/527625042.db2.gz KEZUSMSIZYCRFD-UHFFFAOYSA-N 0 0 435.543 5.278 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000035180865 527625248 /nfs/dbraw/zinc/62/52/48/527625248.db2.gz BBIHXEBCOMCRKA-UHFFFAOYSA-N 0 0 435.543 5.278 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000035181057 527625288 /nfs/dbraw/zinc/62/52/88/527625288.db2.gz MFIQCHOBJVYHEI-UHFFFAOYSA-N 0 0 435.543 5.278 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734947 527626017 /nfs/dbraw/zinc/62/60/17/527626017.db2.gz YXODVCANYLFSPM-HYARGMPZSA-N 0 0 438.980 6.046 50 0 IKAARN O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000015072468 527630098 /nfs/dbraw/zinc/63/00/98/527630098.db2.gz FUNFNTDYVIEHDF-AKNQKSQZSA-N 0 0 446.554 5.625 50 0 IKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000012339798 527632658 /nfs/dbraw/zinc/63/26/58/527632658.db2.gz LNUFEJDKCFZLNZ-LFIBNONCSA-N 0 0 441.581 6.004 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000020728797 527656642 /nfs/dbraw/zinc/65/66/42/527656642.db2.gz SFIBQLYXMTZYER-OAQYLSRUSA-N 0 0 427.863 5.107 50 0 IKAARN O=C(/C=C\c1cccc2ccccc12)N1CCN(C(=O)/C=C\c2cccc3ccccc23)CC1 ZINC000033333798 527657018 /nfs/dbraw/zinc/65/70/18/527657018.db2.gz ZTOPKOQTTIDAOQ-IQRFGFHNSA-N 0 0 446.550 5.390 50 0 IKAARN O[C@@H](COCc1ccccc1)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000012784904 527657755 /nfs/dbraw/zinc/65/77/55/527657755.db2.gz KXTUSTPAKGHQNP-SFHVURJKSA-N 0 0 426.538 5.167 50 0 IKAARN O[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccccc1)Cn1c2ccccc2c2c1CCCC2 ZINC000015686281 527665668 /nfs/dbraw/zinc/66/56/68/527665668.db2.gz FICWYDDDYLTDOG-DEOSSOPVSA-N 0 0 447.582 6.112 50 0 IKAARN FC(F)(F)c1cc(-c2cccs2)nc(SCc2cc3c(cc2Cl)OCO3)n1 ZINC000016430717 527679368 /nfs/dbraw/zinc/67/93/68/527679368.db2.gz KWYYTKKMJLEIMJ-UHFFFAOYSA-N 0 0 430.860 5.898 50 0 IKAARN O=C(NCCCOC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033052753 527681724 /nfs/dbraw/zinc/68/17/24/527681724.db2.gz KPDAMTPERIWRST-UHFFFAOYSA-N 0 0 441.575 5.402 50 0 IKAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c12 ZINC000014899893 527682505 /nfs/dbraw/zinc/68/25/05/527682505.db2.gz NMPHRCBPTMTQCD-UHFFFAOYSA-N 0 0 429.307 5.116 50 0 IKAARN FC(F)(F)c1ccc(N2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)nc1 ZINC000012614530 527683070 /nfs/dbraw/zinc/68/30/70/527683070.db2.gz KDZWKBQCEWPOJR-UHFFFAOYSA-N 0 0 441.482 5.099 50 0 IKAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c12 ZINC000022505611 527683496 /nfs/dbraw/zinc/68/34/96/527683496.db2.gz JIRYINJRYCNEEA-UHFFFAOYSA-N 0 0 433.581 5.030 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NCCCc2ccccc2)c2ccccc23)c1 ZINC000020848563 527684140 /nfs/dbraw/zinc/68/41/40/527684140.db2.gz LTNWWSVFZFNVST-UHFFFAOYSA-N 0 0 447.464 6.008 50 0 IKAARN FC(F)(F)c1cccc(N2N=N[C@@H]3CCCC(=Cc4ccccc4)[C@]32N2CCOCC2)c1 ZINC000021540605 527685628 /nfs/dbraw/zinc/68/56/28/527685628.db2.gz KFXWBCPFNYJMKN-ILZRLUQISA-N 0 0 442.485 5.557 50 0 IKAARN FC(F)(F)c1oc(-c2ccc(Cl)cc2)cc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000012369164 527691423 /nfs/dbraw/zinc/69/14/23/527691423.db2.gz JOSABPVLFFRFIA-UHFFFAOYSA-N 0 0 425.193 6.989 50 0 IKAARN FC(F)Oc1ccc(-c2csc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000012369474 527695574 /nfs/dbraw/zinc/69/55/74/527695574.db2.gz PFAYZRWAJKDFLW-UHFFFAOYSA-N 0 0 440.220 7.404 50 0 IKAARN FC(F)Oc1ccc(-c2cc(C(F)(F)F)c3sc(N4CCCCC4)nc3n2)cc1 ZINC000012547036 527695663 /nfs/dbraw/zinc/69/56/63/527695663.db2.gz CDKVBRJHWCTROK-UHFFFAOYSA-N 0 0 429.414 5.969 50 0 IKAARN CCCC1=C(C(=O)OC)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccccc1 ZINC000013097820 534918336 /nfs/dbraw/zinc/91/83/36/534918336.db2.gz MDPLDNXMWCXWLT-IBGZPJMESA-N 0 0 434.483 5.368 50 0 IKAARN CC1(C)C[C@](C)(c2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000002059436 534935000 /nfs/dbraw/zinc/93/50/00/534935000.db2.gz IZRYNXYZUYXLSC-RUZDIDTESA-N 0 0 434.377 6.584 50 0 IKAARN CC(C)N(C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000003289550 534938190 /nfs/dbraw/zinc/93/81/90/534938190.db2.gz PGSKJIKNPXGETJ-UHFFFAOYSA-N 0 0 446.572 5.664 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3ncnc1N1CCCCC1 ZINC000009034172 534944826 /nfs/dbraw/zinc/94/48/26/534944826.db2.gz YNJHRMOFINNJEE-UHFFFAOYSA-N 0 0 430.577 5.748 50 0 IKAARN CCCCCCNc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000002810028 534997190 /nfs/dbraw/zinc/99/71/90/534997190.db2.gz JRERRAKMJYXIBH-UHFFFAOYSA-N 0 0 432.572 5.170 50 0 IKAARN CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000002743037 535084443 /nfs/dbraw/zinc/08/44/43/535084443.db2.gz LMZAHBRNVSYUPS-WXVAWEFUSA-N 0 0 426.604 7.238 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1-c1ccccc1 ZINC000002202471 535096690 /nfs/dbraw/zinc/09/66/90/535096690.db2.gz DEEJELCMWFYPBS-UHFFFAOYSA-N 0 0 445.634 7.769 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CSc1nnc(N)s1 ZINC000001768157 535096985 /nfs/dbraw/zinc/09/69/85/535096985.db2.gz GFPGAJHYFKKBKQ-UHFFFAOYSA-N 0 0 438.650 5.014 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1ccc2ccccc2c1 ZINC000009850406 535097495 /nfs/dbraw/zinc/09/74/95/535097495.db2.gz BELUBWZUPDAUHV-UHFFFAOYSA-N 0 0 449.622 7.020 50 0 IKAARN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@H]1C ZINC000000824683 535318470 /nfs/dbraw/zinc/31/84/70/535318470.db2.gz PIXNJRVXZQYFHN-CLOONOSVSA-N 0 0 446.522 5.514 50 0 IKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000000725746 535318488 /nfs/dbraw/zinc/31/84/88/535318488.db2.gz APAMXHLGKORGCF-UQBPGWFLSA-N 0 0 430.523 5.678 50 0 IKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@H]1C ZINC000000824685 535318608 /nfs/dbraw/zinc/31/86/08/535318608.db2.gz PIXNJRVXZQYFHN-KBMIEXCESA-N 0 0 446.522 5.514 50 0 IKAARN CC(C)c1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009130011 535373915 /nfs/dbraw/zinc/37/39/15/535373915.db2.gz CYFIBHIFEMUXHU-XMMPIXPASA-N 0 0 436.914 5.724 50 0 IKAARN CCN1C=C(c2ccc3cc(C)ccc3n2)[C@H](c2c[nH]c3ccccc32)c2cc(C)ccc21 ZINC000008846640 535439276 /nfs/dbraw/zinc/43/92/76/535439276.db2.gz JGQMQCFHQANMOF-PMERELPUSA-N 0 0 429.567 7.346 50 0 IKAARN CCOc1ccc2nc(SCC(=O)N3c4ccc(C)cc4[C@H](C)CC3(C)C)sc2c1 ZINC000001814788 535444924 /nfs/dbraw/zinc/44/49/24/535444924.db2.gz RFQOYSCQNUZIDH-MRXNPFEDSA-N 0 0 440.634 6.415 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(c2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)C1 ZINC000009289912 535524809 /nfs/dbraw/zinc/52/48/09/535524809.db2.gz ZCJHFQPVRGVOIM-QGZVFWFLSA-N 0 0 449.938 5.136 50 0 IKAARN CCOC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000009531207 535606590 /nfs/dbraw/zinc/60/65/90/535606590.db2.gz KDFDVLLDPVRLHG-UHFFFAOYSA-N 0 0 440.547 5.175 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 ZINC000002354284 535672017 /nfs/dbraw/zinc/67/20/17/535672017.db2.gz LRFOMTBZDPFEEH-HUUCEWRRSA-N 0 0 438.597 5.711 50 0 IKAARN CCOC(=O)COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1cccc(Cl)c1 ZINC000000679671 535699185 /nfs/dbraw/zinc/69/91/85/535699185.db2.gz HRWZSCUTQLQDGV-HSZRJFAPSA-N 0 0 436.895 5.053 50 0 IKAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(N2CCCCC2)cc1 ZINC000001912379 535713174 /nfs/dbraw/zinc/71/31/74/535713174.db2.gz ASZDSIDEFANDJV-UHFFFAOYSA-N 0 0 443.469 6.164 50 0 IKAARN CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000009056667 535962590 /nfs/dbraw/zinc/96/25/90/535962590.db2.gz XISQUFYSDMNNIZ-OZXSUGGESA-N 0 0 428.532 5.381 50 0 IKAARN COc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5ccccc5)CC4)c23)cc1 ZINC000014123789 536501232 /nfs/dbraw/zinc/50/12/32/536501232.db2.gz NFQGGTUJIPGPKP-UHFFFAOYSA-N 0 0 444.560 5.222 50 0 IKAARN COc1ccc(-c2csc3ncnc(N4CCN(c5cccc(C)c5)[C@@H](C)C4)c23)cc1 ZINC000009527751 536502060 /nfs/dbraw/zinc/50/20/60/536502060.db2.gz KQIBEZFOJXNHJP-SFHVURJKSA-N 0 0 430.577 5.390 50 0 IKAARN COc1ccc(-c2csc3ncnc(N4CCN(c5ccc(C)cc5C)CC4)c23)cc1 ZINC000009527754 536502074 /nfs/dbraw/zinc/50/20/74/536502074.db2.gz JAVQEXZDEXBMGY-UHFFFAOYSA-N 0 0 430.577 5.310 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)cc1 ZINC000000828880 536580530 /nfs/dbraw/zinc/58/05/30/536580530.db2.gz RMUWWAKUMGWGLL-YGVPJTNVSA-N 0 0 440.543 5.628 50 0 IKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccc(O)cc1)N(c1ccc(C)cc1)C3=O ZINC000008613056 536704553 /nfs/dbraw/zinc/70/45/53/536704553.db2.gz FSIZXZIEEDJADH-HSZRJFAPSA-N 0 0 445.544 5.536 50 0 IKAARN COc1ccc(CNC(=O)c2cccc3sc(N4CCCc5ccccc54)nc32)cc1 ZINC000009830468 536889975 /nfs/dbraw/zinc/88/99/75/536889975.db2.gz UPJYKZMPIHLSLC-UHFFFAOYSA-N 0 0 429.545 5.319 50 0 IKAARN COc1ccc2c(c1)CCCN2C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000010542265 536969713 /nfs/dbraw/zinc/96/97/13/536969713.db2.gz MJUJRXNATNOPKE-UHFFFAOYSA-N 0 0 425.484 5.370 50 0 IKAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(c2ccc(Cl)cc2)CC1 ZINC000003063555 536970060 /nfs/dbraw/zinc/97/00/60/536970060.db2.gz QRUGWSHIVNADJL-UHFFFAOYSA-N 0 0 447.970 5.002 50 0 IKAARN Cc1ccccc1C(=O)Nc1c(Br)cc(Br)cc1Br ZINC000000641035 556680101 /nfs/dbraw/zinc/68/01/01/556680101.db2.gz KBLRKUNZBAHDON-UHFFFAOYSA-N 0 0 447.952 5.535 50 0 IKAARN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(C)c(C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC000013042160 537105557 /nfs/dbraw/zinc/10/55/57/537105557.db2.gz ZPGLYXBRLNTASV-RPLLCQBOSA-N 0 0 442.559 5.743 50 0 IKAARN CC(C)c1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc21 ZINC000009034505 555507064 /nfs/dbraw/zinc/50/70/64/555507064.db2.gz HCFQHPLPJORJFL-UHFFFAOYSA-N 0 0 440.421 5.750 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1 ZINC000000538658 555510283 /nfs/dbraw/zinc/51/02/83/555510283.db2.gz GYHCTFXIZSNGJT-XMMPIXPASA-N 0 0 448.950 5.683 50 0 fda IKAARN Cc1nnc2sc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nn12 ZINC000000624115 555511686 /nfs/dbraw/zinc/51/16/86/555511686.db2.gz OBLSGWADRJJXHA-UHFFFAOYSA-N 0 0 425.926 5.282 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1)Nc1ccccc1 ZINC000000624773 555512009 /nfs/dbraw/zinc/51/20/09/555512009.db2.gz DQNKNIZPVSJCRL-UHFFFAOYSA-N 0 0 437.521 5.419 50 0 IKAARN CCCC(=O)Nc1ccc2nc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000000624676 555512011 /nfs/dbraw/zinc/51/20/11/555512011.db2.gz KCPXSDFINOSXKB-INIZCTEOSA-N 0 0 441.622 6.079 50 0 IKAARN O=c1c(Oc2ccccc2F)coc2cc(OCc3cnn(-c4ccccc4)c3)ccc12 ZINC000000625516 555512385 /nfs/dbraw/zinc/51/23/85/555512385.db2.gz RADNKLBVSKQCFE-UHFFFAOYSA-N 0 0 428.419 5.489 50 0 IKAARN C=CS(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(OC)c1 ZINC000000625162 555512417 /nfs/dbraw/zinc/51/24/17/555512417.db2.gz SCSACGCBFLFOBP-UHFFFAOYSA-N 0 0 442.345 5.386 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000000627843 555513451 /nfs/dbraw/zinc/51/34/51/555513451.db2.gz MTRFGLGQFXAQRS-NDEPHWFRSA-N 0 0 447.542 6.001 50 0 IKAARN COc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)c1 ZINC000000629708 555514033 /nfs/dbraw/zinc/51/40/33/555514033.db2.gz GIDCJRCNBJEAQP-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Cl)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000000629909 555514238 /nfs/dbraw/zinc/51/42/38/555514238.db2.gz UNIYBAYGROMINX-UHFFFAOYSA-N 0 0 425.271 5.355 50 0 IKAARN COc1ccc(C(=O)[C@@H](Cn2cncn2)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000630073 555514272 /nfs/dbraw/zinc/51/42/72/555514272.db2.gz RXRFAQKQVNVOKI-NOZRDPDXSA-N 0 0 429.545 5.319 50 0 IKAARN Cc1ccc(S[C@@H](c2ccc(C)cc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000629997 555514291 /nfs/dbraw/zinc/51/42/91/555514291.db2.gz AXPPVMHDDFLJTO-AHWVRZQESA-N 0 0 427.573 5.928 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)cc1 ZINC000000630201 555514611 /nfs/dbraw/zinc/51/46/11/555514611.db2.gz UXNPDVDDMCEXRS-UHFFFAOYSA-N 0 0 436.606 5.876 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000000632218 555515243 /nfs/dbraw/zinc/51/52/43/555515243.db2.gz TYVUEUZZWYGLLQ-FCHUYYIVSA-N 0 0 430.558 5.274 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccs2)n2c3ccccc3n(Cc3ccccc3)c12 ZINC000000632537 555515480 /nfs/dbraw/zinc/51/54/80/555515480.db2.gz NESZYJMFVFTDAS-UHFFFAOYSA-N 0 0 428.513 5.412 50 0 IKAARN Cc1c(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn32)cnn1-c1ccccc1 ZINC000000632867 555515507 /nfs/dbraw/zinc/51/55/07/555515507.db2.gz GDGTXTCOTCMNSP-UHFFFAOYSA-N 0 0 426.427 5.033 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000633022 555515537 /nfs/dbraw/zinc/51/55/37/555515537.db2.gz RHGNZIKOLOCWBP-UHFFFAOYSA-N 0 0 431.495 6.584 50 0 IKAARN COc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000000633787 555516066 /nfs/dbraw/zinc/51/60/66/555516066.db2.gz GALHNWJWOBFTGP-RPWUZVMVSA-N 0 0 442.906 5.153 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000633741 555516069 /nfs/dbraw/zinc/51/60/69/555516069.db2.gz VFKJIMSMWKLQNW-DNQXCXABSA-N 0 0 442.906 5.153 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000000634776 555516683 /nfs/dbraw/zinc/51/66/83/555516683.db2.gz XMTNESBWGAQFGD-HSZRJFAPSA-N 0 0 435.936 5.560 50 0 IKAARN CC1CCN(C(=S)c2cn(C(=O)c3ccc(Br)cc3)c3ccccc23)CC1 ZINC000000638321 555517474 /nfs/dbraw/zinc/51/74/74/555517474.db2.gz IWLVFFJDFLHKGR-UHFFFAOYSA-N 0 0 441.394 5.500 50 0 IKAARN S=C1N=C(c2ccc(Cl)cc2)C[C@H](c2cn(-c3ccccc3)nc2-c2ccco2)N1 ZINC000000642602 555519025 /nfs/dbraw/zinc/51/90/25/555519025.db2.gz TXIQSROKADLIEY-HXUWFJFHSA-N 0 0 432.936 5.346 50 0 IKAARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3ncnc2-n2nc(C)cc2C)cc1 ZINC000000642988 555519237 /nfs/dbraw/zinc/51/92/37/555519237.db2.gz WHANYNYIXFOKKB-UHFFFAOYSA-N 0 0 443.532 5.229 50 0 IKAARN Cc1ccc(-n2nnc3c(sc4nc(-c5cccs5)cc(C(F)(F)F)c43)c2=O)cc1 ZINC000000642929 555519288 /nfs/dbraw/zinc/51/92/88/555519288.db2.gz WUOVEFRHYPQTLO-UHFFFAOYSA-N 0 0 444.463 5.446 50 0 IKAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000643274 555519290 /nfs/dbraw/zinc/51/92/90/555519290.db2.gz UUVWIUUCXYLHDP-AWEZNQCLSA-N 0 0 448.997 5.370 50 0 IKAARN Clc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c2c(c1)COCO2 ZINC000000643546 555519446 /nfs/dbraw/zinc/51/94/46/555519446.db2.gz IDTXLJZVIAKVEJ-UHFFFAOYSA-N 0 0 425.897 5.340 50 0 IKAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1 ZINC000000643540 555519468 /nfs/dbraw/zinc/51/94/68/555519468.db2.gz IKHGWONMOWFXMB-UHFFFAOYSA-N 0 0 434.499 5.205 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCc2ccco2)C1 ZINC000000643948 555519578 /nfs/dbraw/zinc/51/95/78/555519578.db2.gz HGWZQOLVHFORQO-AWEZNQCLSA-N 0 0 442.606 5.736 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 ZINC000000644055 555519754 /nfs/dbraw/zinc/51/97/54/555519754.db2.gz RARCXSWKTXRXGS-UHFFFAOYSA-N 0 0 446.878 5.432 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc5ccccc54)c(=O)c23)cc1 ZINC000000646221 555520736 /nfs/dbraw/zinc/52/07/36/555520736.db2.gz MSKRGYINDJLQDP-UHFFFAOYSA-N 0 0 425.513 5.225 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCc1ccc(F)cc1 ZINC000000646594 555521099 /nfs/dbraw/zinc/52/10/99/555521099.db2.gz SCJFVJUSBHXBEU-CYBMUJFWSA-N 0 0 435.446 5.099 50 0 IKAARN C[C@H](NC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000000646606 555521130 /nfs/dbraw/zinc/52/11/30/555521130.db2.gz BBLCAZMDHUTLJL-ZDUSSCGKSA-N 0 0 435.446 5.271 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 ZINC000000646667 555521341 /nfs/dbraw/zinc/52/13/41/555521341.db2.gz APRFLCYICONGJR-UHFFFAOYSA-N 0 0 432.373 5.114 50 0 IKAARN O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccc(Br)c1 ZINC000000646907 555521376 /nfs/dbraw/zinc/52/13/76/555521376.db2.gz CYWXSYJNNAQFHY-UHFFFAOYSA-N 0 0 426.295 5.480 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)c1cccs1 ZINC000000647581 555521598 /nfs/dbraw/zinc/52/15/98/555521598.db2.gz CDOYTUXPSXKVGX-UHFFFAOYSA-N 0 0 428.535 5.108 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1ccc(C)cc1 ZINC000000647559 555521659 /nfs/dbraw/zinc/52/16/59/555521659.db2.gz HKYQWLHECNXEER-UHFFFAOYSA-N 0 0 440.496 5.185 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(COc3ccc(I)cc3)o2)c1 ZINC000000648348 555521854 /nfs/dbraw/zinc/52/18/54/555521854.db2.gz HTDVPDXIYGRBFY-UHFFFAOYSA-N 0 0 433.245 5.024 50 0 IKAARN COc1ccc(C(=O)Nc2sc(C)c(-c3ccc(OC)cc3)c2C(=O)OC(C)C)cc1 ZINC000000648368 555521963 /nfs/dbraw/zinc/52/19/63/555521963.db2.gz BHHREMDDDBGQQU-UHFFFAOYSA-N 0 0 439.533 5.558 50 0 IKAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000000649321 555522092 /nfs/dbraw/zinc/52/20/92/555522092.db2.gz YSMLEOFERNPKLD-UHFFFAOYSA-N 0 0 444.004 5.220 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3ccccc3OC)nc(-c3ccc(F)cc3)nc12 ZINC000000648805 555522199 /nfs/dbraw/zinc/52/21/99/555522199.db2.gz QNBYQVUIMQVWIM-UHFFFAOYSA-N 0 0 447.535 5.738 50 0 IKAARN COc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000651156 555522925 /nfs/dbraw/zinc/52/29/25/555522925.db2.gz TYTUPJVOBQBUKZ-UHFFFAOYSA-N 0 0 443.572 5.244 50 0 IKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)Cc1ccc(Br)cc1 ZINC000000652018 555523249 /nfs/dbraw/zinc/52/32/49/555523249.db2.gz GCWQDMFFHQLYLS-UHFFFAOYSA-N 0 0 436.352 5.207 50 0 IKAARN CCn1cc([C@@H](C)NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c(C)n1 ZINC000000652576 555523500 /nfs/dbraw/zinc/52/35/00/555523500.db2.gz VDJHGBCDQJGVRC-CQSZACIVSA-N 0 0 432.351 5.588 50 0 IKAARN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1CCCCCC1 ZINC000000653800 555524113 /nfs/dbraw/zinc/52/41/13/555524113.db2.gz YIUUENPBOSLOTG-UHFFFAOYSA-N 0 0 428.867 5.146 50 0 IKAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)C1 ZINC000000653910 555524154 /nfs/dbraw/zinc/52/41/54/555524154.db2.gz PYTOSOQQQQKUPK-QWRGUYRKSA-N 0 0 442.894 5.248 50 0 IKAARN c1coc(-c2nc3sc4c(ncnc4NCCc4ccccc4)c3c3c2CCCC3)c1 ZINC000000658248 555525706 /nfs/dbraw/zinc/52/57/06/555525706.db2.gz NBGPVIPAPWMZBG-UHFFFAOYSA-N 0 0 426.545 6.033 50 0 IKAARN CC(C)[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)CO1 ZINC000000658182 555525791 /nfs/dbraw/zinc/52/57/91/555525791.db2.gz JTQVUTQIMUBSBW-CQSZACIVSA-N 0 0 440.421 5.970 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C2CCCCC2)cc1 ZINC000000658190 555525799 /nfs/dbraw/zinc/52/57/99/555525799.db2.gz LFZZHIHHGUDIFC-UHFFFAOYSA-N 0 0 428.598 5.081 50 0 IKAARN CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)CO1 ZINC000000658185 555525815 /nfs/dbraw/zinc/52/58/15/555525815.db2.gz JTQVUTQIMUBSBW-AWEZNQCLSA-N 0 0 440.421 5.970 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000000659015 555526103 /nfs/dbraw/zinc/52/61/03/555526103.db2.gz AUTLBQYOZIIOIS-UHFFFAOYSA-N 0 0 438.527 5.858 50 0 IKAARN Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000000658960 555526125 /nfs/dbraw/zinc/52/61/25/555526125.db2.gz FLDHSQAAYKZQDE-UHFFFAOYSA-N 0 0 448.447 5.586 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(OC)ccc4Cl)sc3n2)c1 ZINC000000661205 555526768 /nfs/dbraw/zinc/52/67/68/555526768.db2.gz PPTSTPSVZDAHLP-UHFFFAOYSA-N 0 0 439.924 5.468 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)cc(Cl)c4)sc3n2)c1 ZINC000000661310 555526771 /nfs/dbraw/zinc/52/67/71/555526771.db2.gz RPZMBCNHVGMJHQ-UHFFFAOYSA-N 0 0 444.343 6.113 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000000661453 555527017 /nfs/dbraw/zinc/52/70/17/555527017.db2.gz UZGSSWKNTHCJOJ-UHFFFAOYSA-N 0 0 433.379 5.782 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4C)c(N)c3cc2C1 ZINC000000661748 555527053 /nfs/dbraw/zinc/52/70/53/555527053.db2.gz WJAQEONOXCDKDE-LBPRGKRZSA-N 0 0 444.398 5.717 50 0 IKAARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)Nc1ccc(Cl)cc1F ZINC000000661461 555527056 /nfs/dbraw/zinc/52/70/56/555527056.db2.gz QTOMNAAHCKJOTM-UHFFFAOYSA-N 0 0 441.871 5.319 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)Nc1cccc(C)c1 ZINC000000662999 555527431 /nfs/dbraw/zinc/52/74/31/555527431.db2.gz CKSRNWTZAHBVTE-UHFFFAOYSA-N 0 0 440.521 5.561 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(Br)c1 ZINC000000663241 555527439 /nfs/dbraw/zinc/52/74/39/555527439.db2.gz MKGWUFRTQWIXDX-UHFFFAOYSA-N 0 0 426.097 5.972 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000000664112 555527631 /nfs/dbraw/zinc/52/76/31/555527631.db2.gz FOARJQFONBSWTP-UHFFFAOYSA-N 0 0 446.551 5.345 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccncc2)c1 ZINC000000664341 555527690 /nfs/dbraw/zinc/52/76/90/555527690.db2.gz IGKPCRIUIBKNNK-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000000666525 555528655 /nfs/dbraw/zinc/52/86/55/555528655.db2.gz VBSGNAVAJPEKGB-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2cccc(OC)c2)cc1OCC ZINC000000668031 555529588 /nfs/dbraw/zinc/52/95/88/555529588.db2.gz PVRLQVYYKWLJLN-XMMPIXPASA-N 0 0 433.548 5.597 50 0 IKAARN CCc1cc2c(cc1[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 ZINC000000668006 555529593 /nfs/dbraw/zinc/52/95/93/555529593.db2.gz KSOYOSMTBNKVPW-VWLOTQADSA-N 0 0 429.560 5.443 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OCc1cccc(Cl)c1 ZINC000000668317 555529931 /nfs/dbraw/zinc/52/99/31/555529931.db2.gz CPFVUUUZGMSTHV-BOPFTXTBSA-N 0 0 425.893 5.334 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000669480 555530139 /nfs/dbraw/zinc/53/01/39/555530139.db2.gz JWCUISIYGLTBHM-UHFFFAOYSA-N 0 0 430.209 6.437 50 0 IKAARN CC[C@@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000000670427 555530762 /nfs/dbraw/zinc/53/07/62/555530762.db2.gz FSONJZZLZZCRID-SECBINFHSA-N 0 0 431.245 5.250 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000000670356 555530770 /nfs/dbraw/zinc/53/07/70/555530770.db2.gz OXQFKNQWCZSLFH-MNOVXSKESA-N 0 0 441.380 5.075 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(-c3cc(Cl)ccc3C)o1)Nc1ccccc1-2 ZINC000000670833 555531010 /nfs/dbraw/zinc/53/10/10/555531010.db2.gz FXDHQCLSKGXAJF-HXUWFJFHSA-N 0 0 436.924 5.985 50 0 IKAARN O=C(/C=C/c1cccc2ccccc12)N1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1 ZINC000000671422 555531219 /nfs/dbraw/zinc/53/12/19/555531219.db2.gz ZTOPKOQTTIDAOQ-YTEMWHBBSA-N 0 0 446.550 5.390 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccccc3C)cc2)cc1 ZINC000000671726 555531604 /nfs/dbraw/zinc/53/16/04/555531604.db2.gz CUWARCWZMODRER-UHFFFAOYSA-N 0 0 436.511 6.600 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1 ZINC000000672161 555531914 /nfs/dbraw/zinc/53/19/14/555531914.db2.gz HILNKXYPPWNWGH-UHFFFAOYSA-N 0 0 426.472 5.324 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)C1CCCCC1 ZINC000000673943 555532486 /nfs/dbraw/zinc/53/24/86/555532486.db2.gz AMBGVFFJXMZQSY-TZMCWYRMSA-N 0 0 446.926 5.663 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000673868 555532556 /nfs/dbraw/zinc/53/25/56/555532556.db2.gz QGXLRPBMOJPXQK-WCQYABFASA-N 0 0 432.899 5.321 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OCC)c3)nc3ccccc32)cc1 ZINC000000674361 555533141 /nfs/dbraw/zinc/53/31/41/555533141.db2.gz NADUAQAESQFMPK-UHFFFAOYSA-N 0 0 440.499 5.730 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000674653 555533410 /nfs/dbraw/zinc/53/34/10/555533410.db2.gz IEYCDARLMVPTPC-SWLSCSKDSA-N 0 0 444.841 5.650 50 0 IKAARN CCc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c(Br)c1 ZINC000000676539 555534889 /nfs/dbraw/zinc/53/48/89/555534889.db2.gz PDAXIKPVKZUIKK-UHFFFAOYSA-N 0 0 425.326 5.773 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000677204 555535533 /nfs/dbraw/zinc/53/55/33/555535533.db2.gz QXVPKVAONRMBAZ-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000000678284 555536000 /nfs/dbraw/zinc/53/60/00/555536000.db2.gz ASOKMUUFFDRTPN-UHFFFAOYSA-N 0 0 449.297 6.240 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccco1 ZINC000000678845 555536276 /nfs/dbraw/zinc/53/62/76/555536276.db2.gz CNLZCXKGBJQYSH-UHFFFAOYSA-N 0 0 448.331 5.274 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)COc1ccc(C(C)C)cc1 ZINC000000679019 555536576 /nfs/dbraw/zinc/53/65/76/555536576.db2.gz FMGZZQDAXLZTFE-UHFFFAOYSA-N 0 0 435.387 5.081 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1 ZINC000000679765 555537118 /nfs/dbraw/zinc/53/71/18/555537118.db2.gz QGUOWEMDOWWVFJ-UHFFFAOYSA-N 0 0 443.894 5.544 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(-n2cnnc2)ccc1Cl ZINC000000679786 555537124 /nfs/dbraw/zinc/53/71/24/555537124.db2.gz BJMCWNFGTOXTLN-UHFFFAOYSA-N 0 0 445.935 5.758 50 0 IKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(Br)c1 ZINC000000680068 555537145 /nfs/dbraw/zinc/53/71/45/555537145.db2.gz IFOUGTANHHESBC-UHFFFAOYSA-N 0 0 432.321 5.232 50 0 IKAARN Cc1ccc(C)c(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3n2)c1 ZINC000000681843 555537677 /nfs/dbraw/zinc/53/76/77/555537677.db2.gz JWECDMVLLMXCGD-UHFFFAOYSA-N 0 0 439.534 5.620 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c(C)c1 ZINC000000682903 555538211 /nfs/dbraw/zinc/53/82/11/555538211.db2.gz ITJVBVAKLJPRFE-CYBMUJFWSA-N 0 0 441.163 5.543 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc2ccccc2c1 ZINC000000684309 555539237 /nfs/dbraw/zinc/53/92/37/555539237.db2.gz MQPVHORFSUARKG-QHCPKHFHSA-N 0 0 428.517 5.248 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1Cl ZINC000000684392 555539270 /nfs/dbraw/zinc/53/92/70/555539270.db2.gz IOYXCYJUDFIQPV-IBGZPJMESA-N 0 0 447.347 5.402 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3ccccc3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000000686594 555539798 /nfs/dbraw/zinc/53/97/98/555539798.db2.gz BKAFZRYGXOCVMF-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000000684884 555539870 /nfs/dbraw/zinc/53/98/70/555539870.db2.gz XWUGSNRVVFKXKK-SFHVURJKSA-N 0 0 433.320 5.011 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000684897 555539879 /nfs/dbraw/zinc/53/98/79/555539879.db2.gz TYGPHIOQXZZUGM-LJQANCHMSA-N 0 0 446.454 5.114 50 0 IKAARN CC1(C)CN(c2ccccc2)C(=O)[C@H]1OC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000688156 555541016 /nfs/dbraw/zinc/54/10/16/555541016.db2.gz LJQCICPMTOGJIE-DOWAUTBPSA-N 0 0 437.539 5.269 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C)CC3 ZINC000000691688 555541657 /nfs/dbraw/zinc/54/16/57/555541657.db2.gz YPQQENUIPVYARB-JTQLQIEISA-N 0 0 430.371 5.327 50 0 IKAARN Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000000693008 555542262 /nfs/dbraw/zinc/54/22/62/555542262.db2.gz QAMFADUJOPACCI-UHFFFAOYSA-N 0 0 440.952 5.397 50 0 IKAARN O=C(CSc1ccccn1)Nc1ccc2nc(SCc3ccccc3F)sc2c1 ZINC000000693648 555542323 /nfs/dbraw/zinc/54/23/23/555542323.db2.gz JBGAPJXFLUGGCA-UHFFFAOYSA-N 0 0 441.578 5.854 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3ccccc3C(=O)OC)c3ccccc3n2)c1 ZINC000000695968 555542544 /nfs/dbraw/zinc/54/25/44/555542544.db2.gz SCFSNOMMCCFIBL-UHFFFAOYSA-N 0 0 426.472 5.339 50 0 IKAARN CC1(C)[C@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@H]1C=C(Cl)Cl ZINC000000702335 555542904 /nfs/dbraw/zinc/54/29/04/555542904.db2.gz HGULZIZJVDBRTI-YPMHNXCESA-N 0 0 432.373 5.499 50 0 IKAARN Cc1cc(NC(=O)[C@@]23CC[C@@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)no1 ZINC000000703807 555544062 /nfs/dbraw/zinc/54/40/62/555544062.db2.gz YGJBUOIHEQKSNE-LEWJYISDSA-N 0 0 431.323 5.201 50 0 IKAARN COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1OC ZINC000000705083 555544589 /nfs/dbraw/zinc/54/45/89/555544589.db2.gz NNLBBWNDZJBJHF-UHFFFAOYSA-N 0 0 443.532 5.120 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1 ZINC000000706433 555545106 /nfs/dbraw/zinc/54/51/06/555545106.db2.gz QCZMEFVTKXMHLB-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000707079 555545356 /nfs/dbraw/zinc/54/53/56/555545356.db2.gz SAWZZCBNUVAIEU-UHFFFAOYSA-N 0 0 443.903 5.583 50 0 IKAARN Cc1cccc(C(=O)Nc2c(C(=O)Nc3cccc4ccccc43)cnn2-c2ccccc2)c1 ZINC000000708349 555545809 /nfs/dbraw/zinc/54/58/09/555545809.db2.gz BJFKIPLHKCCUJD-UHFFFAOYSA-N 0 0 446.510 5.839 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc(C)cc1 ZINC000000709126 555546094 /nfs/dbraw/zinc/54/60/94/555546094.db2.gz YQYWGOWFBKIDNJ-UHFFFAOYSA-N 0 0 425.506 5.170 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1cccs1 ZINC000000709063 555546104 /nfs/dbraw/zinc/54/61/04/555546104.db2.gz MHRZUWVNQGMNLE-UHFFFAOYSA-N 0 0 436.352 5.668 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccccc1C ZINC000000709127 555546190 /nfs/dbraw/zinc/54/61/90/555546190.db2.gz PPFFPIMNXHXXHP-UHFFFAOYSA-N 0 0 425.506 5.170 50 0 IKAARN COc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000000710255 555547074 /nfs/dbraw/zinc/54/70/74/555547074.db2.gz NOPYPGRYTOOGKB-UHFFFAOYSA-N 0 0 429.545 6.431 50 0 IKAARN Cc1sc2ncnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1C ZINC000000710213 555547086 /nfs/dbraw/zinc/54/70/86/555547086.db2.gz SALJEQIIIQVYHC-UHFFFAOYSA-N 0 0 431.892 5.711 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1ccc(F)c(Cl)c1 ZINC000000710392 555547117 /nfs/dbraw/zinc/54/71/17/555547117.db2.gz LUSVORXULIQHAB-UHFFFAOYSA-N 0 0 429.929 5.882 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3c(C)cccc3C)n(-c3ccccc3)c(=O)c2c1C ZINC000000710212 555547158 /nfs/dbraw/zinc/54/71/58/555547158.db2.gz BOZXXXUALGRETF-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@H](c1ccccn1)Nc1ccccc1-2 ZINC000000713132 555547986 /nfs/dbraw/zinc/54/79/86/555547986.db2.gz UVWINARYGHSNOO-HXUWFJFHSA-N 0 0 433.924 5.382 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@@H](c1ccccn1)Nc1ccccc1-2 ZINC000000713137 555548062 /nfs/dbraw/zinc/54/80/62/555548062.db2.gz UVWINARYGHSNOO-FQEVSTJZSA-N 0 0 433.924 5.382 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000714857 555548240 /nfs/dbraw/zinc/54/82/40/555548240.db2.gz ANILZHIAVXONTN-XJKSGUPXSA-N 0 0 440.809 5.051 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000714998 555548244 /nfs/dbraw/zinc/54/82/44/555548244.db2.gz FEYRHYJFZMJEIQ-UHFFFAOYSA-N 0 0 442.924 5.391 50 0 IKAARN CCCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc21 ZINC000000715041 555548311 /nfs/dbraw/zinc/54/83/11/555548311.db2.gz LMRVUEMCGHVMTH-UHFFFAOYSA-N 0 0 445.470 5.139 50 0 IKAARN CC1(C)C(=O)[C@@](C)(Cc2ccc(Br)cc2)C(=O)O[C@@H]1c1ccc(Cl)cc1 ZINC000000717934 555549131 /nfs/dbraw/zinc/54/91/31/555549131.db2.gz BYYFUQKQRQJWGX-DYESRHJHSA-N 0 0 435.745 5.545 50 0 IKAARN CC1(C)C(=O)[C@](C)(Cc2ccc(Br)cc2)C(=O)O[C@H]1c1ccc(Cl)cc1 ZINC000000717938 555549147 /nfs/dbraw/zinc/54/91/47/555549147.db2.gz BYYFUQKQRQJWGX-UWJYYQICSA-N 0 0 435.745 5.545 50 0 IKAARN COc1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000000717901 555549220 /nfs/dbraw/zinc/54/92/20/555549220.db2.gz RXLSTMKJZAXMHX-ZEQRLZLVSA-N 0 0 437.923 5.510 50 0 IKAARN CC1(C)C(=O)[C@](C)(CC(=O)c2ccc(F)cc2)C(=O)O[C@H]1c1ccc(Br)cc1 ZINC000000720410 555549644 /nfs/dbraw/zinc/54/96/44/555549644.db2.gz UHZJZPLJWGIJRO-AVRDEDQJSA-N 0 0 447.300 5.061 50 0 IKAARN COc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720689 555549983 /nfs/dbraw/zinc/54/99/83/555549983.db2.gz GNKVHPRDURDAKZ-XZOQPEGZSA-N 0 0 441.886 5.340 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1Cl ZINC000000722728 555550415 /nfs/dbraw/zinc/55/04/15/555550415.db2.gz NFOIOOIWPOBSDP-UHFFFAOYSA-N 0 0 427.291 5.053 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCCC2 ZINC000000722337 555550546 /nfs/dbraw/zinc/55/05/46/555550546.db2.gz FXIOSKSKFJKKME-UHFFFAOYSA-N 0 0 434.561 5.459 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1Br ZINC000000724155 555550853 /nfs/dbraw/zinc/55/08/53/555550853.db2.gz LWZPLHNVPRETEF-UHFFFAOYSA-N 0 0 441.256 5.657 50 0 IKAARN C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727022 555551679 /nfs/dbraw/zinc/55/16/79/555551679.db2.gz CVKOIJVKLFRETD-SGDKSWKTSA-N 0 0 434.322 5.780 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000000728335 555551981 /nfs/dbraw/zinc/55/19/81/555551981.db2.gz AEYAHIBCLIJOGR-ZKKFKWFVSA-N 0 0 444.328 5.020 50 0 IKAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 ZINC000000729581 555552617 /nfs/dbraw/zinc/55/26/17/555552617.db2.gz XZBPLKWEYPOIEE-RTWAWAEBSA-N 0 0 428.271 5.258 50 0 IKAARN COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl ZINC000000751842 555553135 /nfs/dbraw/zinc/55/31/35/555553135.db2.gz YDDKBXRHZVIVIM-UHFFFAOYSA-N 0 0 446.894 5.039 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)cc1 ZINC000000751853 555553227 /nfs/dbraw/zinc/55/32/27/555553227.db2.gz CHDIFDCRIFQONB-UHFFFAOYSA-N 0 0 433.529 5.850 50 0 biogenic IKAARN COc1cc(-c2nc3ccccc3c(Nc3ccc(F)cc3Cl)n2)cc(OC)c1OC ZINC000000752805 555553609 /nfs/dbraw/zinc/55/36/09/555553609.db2.gz AIYGNWUMNNGQLW-UHFFFAOYSA-N 0 0 439.874 5.859 50 0 IKAARN CC(C)(C)C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2)cc1 ZINC000000754778 555553793 /nfs/dbraw/zinc/55/37/93/555553793.db2.gz UWJCNBVLHMBKJR-UHFFFAOYSA-N 0 0 430.552 5.780 50 0 IKAARN Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n21)CCCC3 ZINC000000792358 555557332 /nfs/dbraw/zinc/55/73/32/555557332.db2.gz SZHDSFLXOVBMRM-UHFFFAOYSA-N 0 0 428.970 5.155 50 0 IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cc(Cl)ccc1Cl ZINC000000814249 555561127 /nfs/dbraw/zinc/56/11/27/555561127.db2.gz UPEIJRLHUXDUII-CQSZACIVSA-N 0 0 435.254 5.454 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000000817330 555563159 /nfs/dbraw/zinc/56/31/59/555563159.db2.gz DDLNKABVCAMOJY-UHFFFAOYSA-N 0 0 436.577 5.139 50 0 IKAARN O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000000821051 555563424 /nfs/dbraw/zinc/56/34/24/555563424.db2.gz LWMMSPQCGUVSJB-UHFFFAOYSA-N 0 0 431.344 5.365 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(Br)cc1 ZINC000000819771 555563460 /nfs/dbraw/zinc/56/34/60/555563460.db2.gz BRQRXBHRUPMSCO-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN COc1ccc(N(C(=O)Nc2ccccc2Cl)[C@H](CC(=O)C2CC2)c2ccccc2)cc1 ZINC000000821012 555563531 /nfs/dbraw/zinc/56/35/31/555563531.db2.gz ISGBOBBFZACZHD-XMMPIXPASA-N 0 0 448.950 6.498 50 0 IKAARN O=C(Oc1c(Cl)cc(NS(=O)(=O)c2ccccc2)c2ccccc21)c1ccccc1 ZINC000000822146 555564120 /nfs/dbraw/zinc/56/41/20/555564120.db2.gz CCBMGQZUVRZVOQ-UHFFFAOYSA-N 0 0 437.904 5.513 50 0 IKAARN Cc1ccc(C(=O)N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N2CCCCC2)cc1 ZINC000000823319 555564593 /nfs/dbraw/zinc/56/45/93/555564593.db2.gz GZIBDYBFAUFAHN-LHLOQNFPSA-N 0 0 440.543 5.571 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000825540 555564752 /nfs/dbraw/zinc/56/47/52/555564752.db2.gz UUEXPICHUZOHTJ-UHFFFAOYSA-N 0 0 434.780 5.460 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1I ZINC000000826555 555565101 /nfs/dbraw/zinc/56/51/01/555565101.db2.gz ILBYMSJCKHYDJA-UHFFFAOYSA-N 0 0 440.240 5.352 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827114 555565386 /nfs/dbraw/zinc/56/53/86/555565386.db2.gz KHXCNNPMESKIMS-UHFFFAOYSA-N 0 0 440.303 5.279 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000000829560 555565992 /nfs/dbraw/zinc/56/59/92/555565992.db2.gz JLJRZKJHRJTXHG-NSHDSACASA-N 0 0 442.894 5.535 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)c(C)c1 ZINC000000834439 555566633 /nfs/dbraw/zinc/56/66/33/555566633.db2.gz UHEBCESDDSSNPM-UHFFFAOYSA-N 0 0 433.529 5.831 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000844310 555568697 /nfs/dbraw/zinc/56/86/97/555568697.db2.gz FQMFYOZFOLNSKH-UHFFFAOYSA-N 0 0 448.972 5.155 50 0 IKAARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000000844507 555569022 /nfs/dbraw/zinc/56/90/22/555569022.db2.gz KGZGREMIGCIBBO-DEOSSOPVSA-N 0 0 434.536 5.017 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(Br)cc1 ZINC000000848287 555569961 /nfs/dbraw/zinc/56/99/61/555569961.db2.gz JYZVTKSFJROGNZ-UHFFFAOYSA-N 0 0 442.165 6.056 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 ZINC000000848327 555570079 /nfs/dbraw/zinc/57/00/79/555570079.db2.gz XPTBXKPBBHFQPI-IZZDOVSWSA-N 0 0 429.339 5.157 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)cc3n2)cc1 ZINC000000848712 555570203 /nfs/dbraw/zinc/57/02/03/555570203.db2.gz CHSZVFVFKHYFFP-UHFFFAOYSA-N 0 0 432.352 5.254 50 0 IKAARN COc1cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc(OC)c1OC ZINC000000849443 555570474 /nfs/dbraw/zinc/57/04/74/555570474.db2.gz YJUZRDRCHINQAJ-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 ZINC000000851582 555570664 /nfs/dbraw/zinc/57/06/64/555570664.db2.gz GMRYAGTXMPZJJK-UHFFFAOYSA-N 0 0 444.512 5.532 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccccc3Oc3ccccc3)sc2c1 ZINC000000854107 555570721 /nfs/dbraw/zinc/57/07/21/555570721.db2.gz DJLSHMMLDAQWAB-UHFFFAOYSA-N 0 0 436.558 6.218 50 0 IKAARN Cc1cc(C)cc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)c1 ZINC000000855373 555571049 /nfs/dbraw/zinc/57/10/49/555571049.db2.gz DHILPZRGIGPYMN-UHFFFAOYSA-N 0 0 427.595 5.345 50 0 IKAARN COc1ccc(Cl)cc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000856957 555571362 /nfs/dbraw/zinc/57/13/62/555571362.db2.gz ZLBGNIKDQYPBCP-MRXNPFEDSA-N 0 0 449.765 6.236 50 0 IKAARN O=C1C[C@@H](c2cccc(Br)c2)c2cc(Br)c3ccccc3c2N1 ZINC000000861055 555571882 /nfs/dbraw/zinc/57/18/82/555571882.db2.gz AZSOUADJDYQIMH-HNNXBMFYSA-N 0 0 431.127 5.839 50 0 IKAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000861382 555572725 /nfs/dbraw/zinc/57/27/25/555572725.db2.gz SLHUCIDDZHKHHM-DEOSSOPVSA-N 0 0 428.488 5.159 50 0 IKAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCCc2ccccc21 ZINC000000865718 555573496 /nfs/dbraw/zinc/57/34/96/555573496.db2.gz XMNKTNQDAGCBEM-KSSFIOAISA-N 0 0 432.471 5.198 50 0 IKAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865691 555573514 /nfs/dbraw/zinc/57/35/14/555573514.db2.gz RYUKZPBMUUHLPI-KGLIPLIRSA-N 0 0 440.878 5.188 50 0 IKAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCCC1 ZINC000000866829 555573982 /nfs/dbraw/zinc/57/39/82/555573982.db2.gz XWUVHEDWUZMMRZ-GOEBONIOSA-N 0 0 447.288 5.476 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc2c1CC(C)(C)OC2 ZINC000000866580 555574102 /nfs/dbraw/zinc/57/41/02/555574102.db2.gz ZYFCHQGCMQHLNV-UHFFFAOYSA-N 0 0 431.554 5.063 50 0 IKAARN CCOc1ccc2nc(S[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3=O)sc2c1 ZINC000000869131 555574656 /nfs/dbraw/zinc/57/46/56/555574656.db2.gz KYDZOPNARDTNCJ-QGZVFWFLSA-N 0 0 432.954 5.081 50 0 IKAARN CCc1ccccc1NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F ZINC000000884002 555578299 /nfs/dbraw/zinc/57/82/99/555578299.db2.gz QAHWGGZMPUUDOP-VQTJNVASSA-N 0 0 444.457 5.367 50 0 IKAARN CCc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccc(OC)c2)C[C@@H]3C(F)(F)F)cc1 ZINC000000884021 555578398 /nfs/dbraw/zinc/57/83/98/555578398.db2.gz BNAOLJOYKDZGIQ-WOJBJXKFSA-N 0 0 444.457 5.367 50 0 IKAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 ZINC000000884350 555578752 /nfs/dbraw/zinc/57/87/52/555578752.db2.gz FUKUFBFQXBGCME-RBUKOAKNSA-N 0 0 430.430 5.113 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(Br)o1 ZINC000000885938 555578839 /nfs/dbraw/zinc/57/88/39/555578839.db2.gz DWKZOMGIHKSARV-UHFFFAOYSA-N 0 0 431.673 6.064 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1 ZINC000000884918 555578908 /nfs/dbraw/zinc/57/89/08/555578908.db2.gz KCHWNCBHDJIBPQ-UHFFFAOYSA-N 0 0 443.494 5.554 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000000888573 555579498 /nfs/dbraw/zinc/57/94/98/555579498.db2.gz KCHZHJSOEKREOL-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1 ZINC000000890618 555579817 /nfs/dbraw/zinc/57/98/17/555579817.db2.gz AQPCJNKMRWGKGJ-UHFFFAOYSA-N 0 0 447.482 5.464 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000900650 555581054 /nfs/dbraw/zinc/58/10/54/555581054.db2.gz VBHKIQWTGIEQTC-AWEZNQCLSA-N 0 0 445.466 5.484 50 0 IKAARN CC(C)(C)c1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000000900399 555581101 /nfs/dbraw/zinc/58/11/01/555581101.db2.gz POKWEFVOOFTHGB-UHFFFAOYSA-N 0 0 438.302 5.831 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000901809 555581291 /nfs/dbraw/zinc/58/12/91/555581291.db2.gz BVQIUZYUZNTLCG-UHFFFAOYSA-N 0 0 443.834 5.148 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901715 555581338 /nfs/dbraw/zinc/58/13/38/555581338.db2.gz JFCYNXCSUHQSDO-LBPRGKRZSA-N 0 0 435.496 5.294 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901564 555581368 /nfs/dbraw/zinc/58/13/68/555581368.db2.gz UMEXZJCJJUGNAP-UHFFFAOYSA-N 0 0 439.484 5.353 50 0 IKAARN Cc1ccc(F)cc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901532 555581397 /nfs/dbraw/zinc/58/13/97/555581397.db2.gz GTSGRFWKCJHTEC-UHFFFAOYSA-N 0 0 427.448 5.402 50 0 IKAARN Cc1cc(F)ccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901582 555581403 /nfs/dbraw/zinc/58/14/03/555581403.db2.gz IYHAMIMYCUSMGX-UHFFFAOYSA-N 0 0 427.448 5.402 50 0 IKAARN Cc1ccc(F)c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 ZINC000000901589 555581415 /nfs/dbraw/zinc/58/14/15/555581415.db2.gz IRLQOKJCDDETAB-UHFFFAOYSA-N 0 0 427.448 5.402 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccccc1Cl ZINC000000901324 555581452 /nfs/dbraw/zinc/58/14/52/555581452.db2.gz PBAWHWMFEKTSEG-UHFFFAOYSA-N 0 0 429.876 5.608 50 0 IKAARN O=C(Nc1ccc(I)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000000911164 555582525 /nfs/dbraw/zinc/58/25/25/555582525.db2.gz QEJKXCDVDXZPIM-UHFFFAOYSA-N 0 0 448.112 6.065 50 0 IKAARN CSc1ccccc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000918032 555584033 /nfs/dbraw/zinc/58/40/33/555584033.db2.gz NUWNUPKELFGHDH-UHFFFAOYSA-N 0 0 439.484 5.598 50 0 IKAARN COc1ccc2c(Cl)c(-c3nnc(SCC(=O)c4ccccc4)n3C)sc2c1 ZINC000000935569 555585664 /nfs/dbraw/zinc/58/56/64/555585664.db2.gz ZDEZOWAOZLLYOL-UHFFFAOYSA-N 0 0 429.954 5.334 50 0 IKAARN COc1ccc2c(Cl)c(-c3nnc(SCC(=O)c4ccc(F)cc4)n3C)sc2c1 ZINC000000936553 555585963 /nfs/dbraw/zinc/58/59/63/555585963.db2.gz FVGYLYLJVAQYKD-UHFFFAOYSA-N 0 0 447.944 5.473 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000000939043 555586458 /nfs/dbraw/zinc/58/64/58/555586458.db2.gz JPDSYLJPVIYEKJ-VWLOTQADSA-N 0 0 445.975 5.967 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000000939044 555586527 /nfs/dbraw/zinc/58/65/27/555586527.db2.gz JPDSYLJPVIYEKJ-RUZDIDTESA-N 0 0 445.975 5.967 50 0 IKAARN Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OCc4ccccc4)ccc3c2=O)c1 ZINC000000942711 555587320 /nfs/dbraw/zinc/58/73/20/555587320.db2.gz IHVVQLFDHFQSAG-SFHVURJKSA-N 0 0 430.456 5.404 50 0 IKAARN CC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc34)c2C1 ZINC000000944107 555587572 /nfs/dbraw/zinc/58/75/72/555587572.db2.gz TWFRQDZRWMFNEJ-KRWDZBQOSA-N 0 0 433.573 6.538 50 0 IKAARN COc1cc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)cc1Cl ZINC000000943702 555587581 /nfs/dbraw/zinc/58/75/81/555587581.db2.gz WAFGYZKKAKXEMV-UHFFFAOYSA-N 0 0 439.939 5.701 50 0 IKAARN CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1 ZINC000000944094 555587685 /nfs/dbraw/zinc/58/76/85/555587685.db2.gz TXXNOZXSYMJCNG-LJQANCHMSA-N 0 0 433.573 6.538 50 0 IKAARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1Cc1ccccc1 ZINC000000944631 555587928 /nfs/dbraw/zinc/58/79/28/555587928.db2.gz JKBYGSINHGVHLV-UHFFFAOYSA-N 0 0 432.574 5.386 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1sc(Nc2ccc(F)cc2)nc1-c1ccccc1 ZINC000000947664 555588224 /nfs/dbraw/zinc/58/82/24/555588224.db2.gz TUTMERAWUNBGIP-UHFFFAOYSA-N 0 0 447.491 5.716 50 0 IKAARN COc1cc(Br)c(Nc2nc(-c3cccnc3)cs2)c(Br)c1 ZINC000000948684 555588548 /nfs/dbraw/zinc/58/85/48/555588548.db2.gz NIGDAQFCMXTLJF-UHFFFAOYSA-N 0 0 441.148 5.482 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1F ZINC000000950216 555588765 /nfs/dbraw/zinc/58/87/65/555588765.db2.gz BHLDVAHKJQVWKB-UHFFFAOYSA-N 0 0 432.373 5.114 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000955494 555589975 /nfs/dbraw/zinc/58/99/75/555589975.db2.gz FRULVEFMYPMJJY-UHFFFAOYSA-N 0 0 433.266 5.402 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cc(Cl)ccc4Cl)c23)C1 ZINC000000957828 555590578 /nfs/dbraw/zinc/59/05/78/555590578.db2.gz ZJPXFDIPRCJVIU-SNVBAGLBSA-N 0 0 438.405 5.854 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000000957784 555590656 /nfs/dbraw/zinc/59/06/56/555590656.db2.gz KVUDLKWZXPTTDY-UHFFFAOYSA-N 0 0 449.557 5.266 50 0 IKAARN COC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(Cl)c1Cl ZINC000000968763 555591109 /nfs/dbraw/zinc/59/11/09/555591109.db2.gz CDTXCOXNRRFCAW-AWEZNQCLSA-N 0 0 446.330 5.268 50 0 IKAARN COC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1 ZINC000000968759 555591195 /nfs/dbraw/zinc/59/11/95/555591195.db2.gz KMEGCWHLXQRZEU-CQSZACIVSA-N 0 0 446.330 5.268 50 0 IKAARN COC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(Cl)c1Cl ZINC000000968764 555591211 /nfs/dbraw/zinc/59/12/11/555591211.db2.gz CDTXCOXNRRFCAW-CQSZACIVSA-N 0 0 446.330 5.268 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCCC3)cc1 ZINC000000970533 555591430 /nfs/dbraw/zinc/59/14/30/555591430.db2.gz IXJFIKONECJPHF-UHFFFAOYSA-N 0 0 426.563 5.592 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1cccs1 ZINC000000970540 555591494 /nfs/dbraw/zinc/59/14/94/555591494.db2.gz SLJNNDXDHKULHS-UHFFFAOYSA-N 0 0 447.379 5.565 50 0 IKAARN O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)Nc1ccccc1Cl ZINC000000976627 555592216 /nfs/dbraw/zinc/59/22/16/555592216.db2.gz NTMNTQYSUGHGCJ-UHFFFAOYSA-N 0 0 436.924 5.024 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 ZINC000000976993 555592501 /nfs/dbraw/zinc/59/25/01/555592501.db2.gz QRLDVZLGSHOESQ-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2)cc1 ZINC000000976963 555592520 /nfs/dbraw/zinc/59/25/20/555592520.db2.gz BARHRRZAFOIBGC-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN O=C(c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000000979090 555592884 /nfs/dbraw/zinc/59/28/84/555592884.db2.gz HONQOBCIJKZBQT-UHFFFAOYSA-N 0 0 448.588 5.098 50 0 IKAARN Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1C ZINC000000982770 555593968 /nfs/dbraw/zinc/59/39/68/555593968.db2.gz KJGXEVCXVFEGOV-AREMUKBSSA-N 0 0 430.573 5.372 50 0 aggregator IKAARN Cc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4cccs4)n3n2)cc1 ZINC000000988011 555595418 /nfs/dbraw/zinc/59/54/18/555595418.db2.gz ZKLYAVMXYGZJNV-UHFFFAOYSA-N 0 0 431.542 5.266 50 0 IKAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3ccccc3Cl)c2cc1OC ZINC000000988491 555595420 /nfs/dbraw/zinc/59/54/20/555595420.db2.gz WDWFNPVEERMAJN-UHFFFAOYSA-N 0 0 429.907 6.220 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)nc2c1 ZINC000000989612 555595562 /nfs/dbraw/zinc/59/55/62/555595562.db2.gz IWFXHPZCCMNYCK-UHFFFAOYSA-N 0 0 432.476 5.335 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc(Br)ccc1Cl ZINC000000989622 555595687 /nfs/dbraw/zinc/59/56/87/555595687.db2.gz MRMTXOXQLDFMGP-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)cc1 ZINC000000990080 555595903 /nfs/dbraw/zinc/59/59/03/555595903.db2.gz WURHLFVVSLUWOO-NDEPHWFRSA-N 0 0 427.544 5.034 50 0 IKAARN O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000000990549 555595908 /nfs/dbraw/zinc/59/59/08/555595908.db2.gz YEYPVNNNSCKDIE-UHFFFAOYSA-N 0 0 426.255 5.151 50 0 IKAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C(C)C)ccc3C)C2=O)cc1 ZINC000000990106 555595969 /nfs/dbraw/zinc/59/59/69/555595969.db2.gz JRTAAIJYRVGGEA-LJAQVGFWSA-N 0 0 441.571 5.688 50 0 IKAARN CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C(C)C)ccc3C)C2=O)cc1 ZINC000000990105 555595981 /nfs/dbraw/zinc/59/59/81/555595981.db2.gz JRTAAIJYRVGGEA-GDLZYMKVSA-N 0 0 441.571 5.688 50 0 IKAARN COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3)c(Cl)c1)C2=O ZINC000000991637 555596559 /nfs/dbraw/zinc/59/65/59/555596559.db2.gz YUCVKRSCKRSILF-UHFFFAOYSA-N 0 0 442.254 5.373 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000000991750 555596590 /nfs/dbraw/zinc/59/65/90/555596590.db2.gz RXTPLTYKRYCGMZ-KRWDZBQOSA-N 0 0 442.515 5.400 50 0 IKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000992043 555596785 /nfs/dbraw/zinc/59/67/85/555596785.db2.gz QIOPFCVBPPTGIY-UHFFFAOYSA-N 0 0 434.499 5.560 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cccc(Cl)c3n2)cc1 ZINC000000992746 555596819 /nfs/dbraw/zinc/59/68/19/555596819.db2.gz YRCOWUCLOHYMIV-UHFFFAOYSA-N 0 0 449.865 5.743 50 0 IKAARN O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000000992848 555597121 /nfs/dbraw/zinc/59/71/21/555597121.db2.gz YVWGKEFGXLYRSW-UHFFFAOYSA-N 0 0 443.268 5.207 50 0 IKAARN CCc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3cc(OC)ccc3OC)c2c1 ZINC000000993142 555597427 /nfs/dbraw/zinc/59/74/27/555597427.db2.gz MWKKJDHSYLUCPK-UHFFFAOYSA-N 0 0 426.516 6.042 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c(OC)c1 ZINC000000993238 555597513 /nfs/dbraw/zinc/59/75/13/555597513.db2.gz SABLLDXKFGUAJE-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3c(=O)o1)C[C@H](C(C)(C)C)CC2 ZINC000000995002 555597993 /nfs/dbraw/zinc/59/79/93/555597993.db2.gz DLABSXUPCLYJJA-CQSZACIVSA-N 0 0 439.533 5.044 50 0 IKAARN CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000000994070 555598047 /nfs/dbraw/zinc/59/80/47/555598047.db2.gz QLJHPYZXYOEJFI-UHFFFAOYSA-N 0 0 441.318 5.663 50 0 IKAARN NC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000000995050 555598057 /nfs/dbraw/zinc/59/80/57/555598057.db2.gz OBCXRQLSBBFGLC-UHFFFAOYSA-N 0 0 436.298 5.560 50 0 IKAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccs3)nc3ccccc31)CCCC2 ZINC000000996386 555598630 /nfs/dbraw/zinc/59/86/30/555598630.db2.gz WHFQUYPWRBWOSM-UHFFFAOYSA-N 0 0 433.558 5.255 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000000996499 555598639 /nfs/dbraw/zinc/59/86/39/555598639.db2.gz AUIPZSXHEUPTBK-UHFFFAOYSA-N 0 0 448.523 5.203 50 0 IKAARN COc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 ZINC000000997586 555599311 /nfs/dbraw/zinc/59/93/11/555599311.db2.gz AWTZQQFEGFWQJP-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN O=C(c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCCCCC1 ZINC000000998728 555599650 /nfs/dbraw/zinc/59/96/50/555599650.db2.gz UEKNBIZOGBAHQT-WCQYABFASA-N 0 0 432.899 5.275 50 0 IKAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 ZINC000000999326 555599894 /nfs/dbraw/zinc/59/98/94/555599894.db2.gz FCXHLVFSOAZKBF-CXUHLZMHSA-N 0 0 425.484 5.769 50 0 IKAARN COc1ccc(CCn2c(C)c(C(C)=O)c3cc(OC(=O)c4ccco4)ccc32)cc1OC ZINC000000999199 555599928 /nfs/dbraw/zinc/59/99/28/555599928.db2.gz FIQXWJKFHPGRSD-UHFFFAOYSA-N 0 0 447.487 5.224 50 0 IKAARN CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3 ZINC000001000373 555600111 /nfs/dbraw/zinc/60/01/11/555600111.db2.gz PSBAEEPPFURXIA-UHFFFAOYSA-N 0 0 431.561 6.140 50 0 IKAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1csc(C)c1C ZINC000001003206 555600496 /nfs/dbraw/zinc/60/04/96/555600496.db2.gz UQIBKWSYTVADPV-UHFFFAOYSA-N 0 0 442.562 5.334 50 0 IKAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000001003816 555600788 /nfs/dbraw/zinc/60/07/88/555600788.db2.gz FAKOUQMYDXTCBJ-UHFFFAOYSA-N 0 0 445.928 5.184 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(OCC)cc3)c2)cc1 ZINC000001006657 555601119 /nfs/dbraw/zinc/60/11/19/555601119.db2.gz SJOAPLTZVVSPOQ-UHFFFAOYSA-N 0 0 438.911 5.642 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 ZINC000001008244 555601397 /nfs/dbraw/zinc/60/13/97/555601397.db2.gz BNJFAGVNOCXADZ-ODLFYWEKSA-N 0 0 444.940 5.111 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O ZINC000001011827 555601977 /nfs/dbraw/zinc/60/19/77/555601977.db2.gz JFWPYHGKVBRPBK-CHHVJCJISA-N 0 0 440.702 5.058 50 0 IKAARN COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 ZINC000001011676 555602004 /nfs/dbraw/zinc/60/20/04/555602004.db2.gz MKMCERYGAKDLLW-NDENLUEZSA-N 0 0 425.893 5.751 50 0 IKAARN O=C(Nc1cccc(O)c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001013672 555602204 /nfs/dbraw/zinc/60/22/04/555602204.db2.gz UDUBAPJKXAAXPM-UHFFFAOYSA-N 0 0 438.818 5.088 50 0 IKAARN CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000001013096 555602237 /nfs/dbraw/zinc/60/22/37/555602237.db2.gz FZCGVDDFMCJYIM-RGVLZGJSSA-N 0 0 437.496 5.036 50 0 IKAARN Cc1cc(I)ccc1NC(=O)c1sc2ccccc2c1Cl ZINC000001013726 555602528 /nfs/dbraw/zinc/60/25/28/555602528.db2.gz VXOJHUWNTRBTGR-UHFFFAOYSA-N 0 0 427.694 5.720 50 0 IKAARN O=C1N[C@H](c2ccccc2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000001017336 555602872 /nfs/dbraw/zinc/60/28/72/555602872.db2.gz OGKSHIRFSHCNRY-QGZVFWFLSA-N 0 0 431.464 5.898 50 0 IKAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3Cl)s2)cs1 ZINC000001023475 555604015 /nfs/dbraw/zinc/60/40/15/555604015.db2.gz AMNKYHFERGWVCB-UHFFFAOYSA-N 0 0 449.804 5.397 50 0 in-vivo IKAARN CC(C)Oc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000001023512 555604026 /nfs/dbraw/zinc/60/40/26/555604026.db2.gz PAPLBMWWZLCPCE-UHFFFAOYSA-N 0 0 434.521 5.045 50 0 IKAARN C[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001024521 555604063 /nfs/dbraw/zinc/60/40/63/555604063.db2.gz QCXAUAVJTUALRN-VIFPVBQESA-N 0 0 429.407 5.094 50 0 IKAARN Cc1nc(C)c(-c2ccn(C(=O)Nc3c(C)onc3-c3c(Cl)cccc3Cl)n2)s1 ZINC000001023951 555604071 /nfs/dbraw/zinc/60/40/71/555604071.db2.gz ZNLFMHKJHHGFRS-UHFFFAOYSA-N 0 0 448.335 5.974 50 0 IKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Sc1nnc(-c2ccc(C(F)(F)F)nc2C)o1 ZINC000001023513 555604090 /nfs/dbraw/zinc/60/40/90/555604090.db2.gz GHTZBMLPNWURIO-UHFFFAOYSA-N 0 0 448.348 5.114 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(Cl)c4)sc3n2)cc1OC ZINC000001026527 555604291 /nfs/dbraw/zinc/60/42/91/555604291.db2.gz CZCANYVPUPMJKN-UHFFFAOYSA-N 0 0 439.924 5.468 50 0 IKAARN O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000001026448 555604298 /nfs/dbraw/zinc/60/42/98/555604298.db2.gz JYOUHDJQMIJEND-UHFFFAOYSA-N 0 0 430.308 5.434 50 0 IKAARN Cc1ccc(C)n1-c1nn(S(=O)(=O)c2ccc(C)c3ccccc32)c2cccc(F)c21 ZINC000001029116 555605481 /nfs/dbraw/zinc/60/54/81/555605481.db2.gz VFONXAAEMWNYTJ-UHFFFAOYSA-N 0 0 433.508 5.282 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c(C)c1 ZINC000001030108 555605624 /nfs/dbraw/zinc/60/56/24/555605624.db2.gz HTICYNVFUGXKBU-SFHVURJKSA-N 0 0 432.549 5.572 50 0 IKAARN COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(Cl)cccc1Cl ZINC000001031333 555605984 /nfs/dbraw/zinc/60/59/84/555605984.db2.gz RGALMBDHUIJNNJ-UHFFFAOYSA-N 0 0 438.094 5.279 50 0 IKAARN COc1ccc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001031287 555605992 /nfs/dbraw/zinc/60/59/92/555605992.db2.gz YCPODEXXYVMPSE-UHFFFAOYSA-N 0 0 438.094 5.279 50 0 IKAARN Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001031690 555606017 /nfs/dbraw/zinc/60/60/17/555606017.db2.gz QASGPUPCOAYNFP-UHFFFAOYSA-N 0 0 434.304 5.057 50 0 IKAARN Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000001032450 555606210 /nfs/dbraw/zinc/60/62/10/555606210.db2.gz YACHASMLVZHQPJ-UHFFFAOYSA-N 0 0 434.927 6.545 50 0 IKAARN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(F)cc1 ZINC000001032414 555606227 /nfs/dbraw/zinc/60/62/27/555606227.db2.gz WLPGKFCMYWXQOG-UHFFFAOYSA-N 0 0 431.414 6.011 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000001032965 555606549 /nfs/dbraw/zinc/60/65/49/555606549.db2.gz AOFAEARYDJCPGH-UHFFFAOYSA-N 0 0 434.499 6.453 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000001033496 555606758 /nfs/dbraw/zinc/60/67/58/555606758.db2.gz HHBRXNUOSNPFDD-UHFFFAOYSA-N 0 0 449.841 6.097 50 0 IKAARN COc1ccccc1-c1nc(C)c(C(C)=O)c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000001035781 555608134 /nfs/dbraw/zinc/60/81/34/555608134.db2.gz MHNUYBJWBBVOFL-UHFFFAOYSA-N 0 0 432.467 5.974 50 0 IKAARN COc1cc(CC[C@@H](C)NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 ZINC000001037026 555608430 /nfs/dbraw/zinc/60/84/30/555608430.db2.gz GOAPSAWUXKGQKY-HXUWFJFHSA-N 0 0 431.532 5.282 50 0 IKAARN CC(C)(C)c1ccc(-c2[nH]nc(NC(=O)c3ccccc3Cl)c2Br)cc1 ZINC000001037338 555608781 /nfs/dbraw/zinc/60/87/81/555608781.db2.gz VTOZEOCALIQLJJ-UHFFFAOYSA-N 0 0 432.749 6.042 50 0 IKAARN Cc1nn(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)c(C)c1Br ZINC000001038350 555609033 /nfs/dbraw/zinc/60/90/33/555609033.db2.gz QODYIQJJAGZKBV-UHFFFAOYSA-N 0 0 448.173 5.293 50 0 IKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000001039543 555609384 /nfs/dbraw/zinc/60/93/84/555609384.db2.gz YAUJVYTVRMIMKO-KRWDZBQOSA-N 0 0 449.281 5.325 50 0 IKAARN COc1cc(C(F)(F)F)nc2ccc(C)c(NC(=O)Nc3cc(Cl)cc(Cl)c3)c21 ZINC000001039761 555609388 /nfs/dbraw/zinc/60/93/88/555609388.db2.gz ASXSAHQUBCXSTE-UHFFFAOYSA-N 0 0 444.240 6.521 50 0 IKAARN COc1cc2cccnc2c(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000001041972 555609942 /nfs/dbraw/zinc/60/99/42/555609942.db2.gz WXKKTGRVYVUWQI-UHFFFAOYSA-N 0 0 445.388 6.090 50 0 IKAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2n1 ZINC000001042437 555610144 /nfs/dbraw/zinc/61/01/44/555610144.db2.gz JRTFIALNAATAEM-UHFFFAOYSA-N 0 0 433.377 5.785 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cnc3cc(Cl)c(Cl)cc3n2)c1 ZINC000001044668 555610523 /nfs/dbraw/zinc/61/05/23/555610523.db2.gz SCRGPUSNYKNRME-UHFFFAOYSA-N 0 0 438.723 5.296 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1Oc1ccc(Cl)cc1 ZINC000001043404 555610630 /nfs/dbraw/zinc/61/06/30/555610630.db2.gz QYEGKTMOXFFAST-UHFFFAOYSA-N 0 0 440.286 6.396 50 0 IKAARN O=C(CSc1nnnn1-c1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000001045695 555610875 /nfs/dbraw/zinc/61/08/75/555610875.db2.gz OAPJNYZJWVQVMU-UHFFFAOYSA-N 0 0 434.135 5.251 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000001046628 555610801 /nfs/dbraw/zinc/61/08/01/555610801.db2.gz CNGDXWNKGKXAJX-OAHLLOKOSA-N 0 0 431.410 5.912 50 0 IKAARN O=S(=O)(Cc1nc(-c2ccc(F)c(F)c2)cs1)Cc1cccc(C(F)(F)F)c1 ZINC000001047013 555611123 /nfs/dbraw/zinc/61/11/23/555611123.db2.gz ZQMNGFBWDISMKD-UHFFFAOYSA-N 0 0 433.423 5.222 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000001046705 555611149 /nfs/dbraw/zinc/61/11/49/555611149.db2.gz ALNAMPWLULFJQP-UHFFFAOYSA-N 0 0 435.833 5.429 50 0 IKAARN CC(C)(C)c1cc(C(=O)Oc2cncc(Cl)c2)cc(C(=O)Oc2cncc(Cl)c2)c1 ZINC000001046892 555611192 /nfs/dbraw/zinc/61/11/92/555611192.db2.gz MCEDFJPPOVYSSA-UHFFFAOYSA-N 0 0 445.302 5.519 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C)ccc1-n1cccc1 ZINC000001046669 555611199 /nfs/dbraw/zinc/61/11/99/555611199.db2.gz SWJPUNYDHFHUKR-UHFFFAOYSA-N 0 0 426.303 6.308 50 0 IKAARN Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001047490 555611454 /nfs/dbraw/zinc/61/14/54/555611454.db2.gz TVLJUWIKNNFMLT-UHFFFAOYSA-N 0 0 432.952 5.303 50 0 IKAARN C[C@H](Sc1nccn1-c1cccc(Cl)c1Cl)C(=O)Nc1c(F)cccc1F ZINC000001048339 555611781 /nfs/dbraw/zinc/61/17/81/555611781.db2.gz ZXBZBOQXRZXBOO-JTQLQIEISA-N 0 0 428.291 5.577 50 0 IKAARN Cc1nn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(C)c1Cc1c(F)cccc1Cl ZINC000001048840 555612025 /nfs/dbraw/zinc/61/20/25/555612025.db2.gz NUMAIKDFLQMBQC-UHFFFAOYSA-N 0 0 447.746 5.427 50 0 IKAARN CCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000001048804 555612131 /nfs/dbraw/zinc/61/21/31/555612131.db2.gz ZISKKBFWSDZBEW-UHFFFAOYSA-N 0 0 443.700 5.335 50 0 IKAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(C)c1C ZINC000001048737 555612060 /nfs/dbraw/zinc/61/20/60/555612060.db2.gz IBGYFYVXEHURLH-UHFFFAOYSA-N 0 0 429.969 6.475 50 0 IKAARN O=C(Nc1ccccc1Cl)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000001050168 555612652 /nfs/dbraw/zinc/61/26/52/555612652.db2.gz MCICCZJFQPMTAQ-JKSUJKDBSA-N 0 0 433.733 5.262 50 0 IKAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Cl ZINC000001050165 555612671 /nfs/dbraw/zinc/61/26/71/555612671.db2.gz MCICCZJFQPMTAQ-HZPDHXFCSA-N 0 0 433.733 5.262 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2c(F)cccc2F)n1Cc1ccco1)CCCC3 ZINC000001049789 555612682 /nfs/dbraw/zinc/61/26/82/555612682.db2.gz LWBPIZASQIEALQ-UHFFFAOYSA-N 0 0 444.528 5.549 50 0 IKAARN COC(=O)c1c(-c2cccnc2)csc1NC(=O)c1sc2ccccc2c1Cl ZINC000001056633 555614513 /nfs/dbraw/zinc/61/45/13/555614513.db2.gz KCBIYXVHZWLILS-UHFFFAOYSA-N 0 0 428.922 5.717 50 0 IKAARN O=C(CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001056707 555614607 /nfs/dbraw/zinc/61/46/07/555614607.db2.gz QHXUJBSLLQRCDL-UHFFFAOYSA-N 0 0 441.555 5.211 50 0 IKAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000001058123 555615141 /nfs/dbraw/zinc/61/51/41/555615141.db2.gz MZSYRVIFDFSOBR-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc2-c2ccco2)cc1 ZINC000001057988 555615148 /nfs/dbraw/zinc/61/51/48/555615148.db2.gz JLVHICKRQRHJES-UHFFFAOYSA-N 0 0 442.903 5.359 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)nc3c2COC(C)(C)C3)cc1 ZINC000001060951 555616411 /nfs/dbraw/zinc/61/64/11/555616411.db2.gz ZOPNLERRDCKIOX-GOSISDBHSA-N 0 0 447.604 5.731 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000001061709 555616427 /nfs/dbraw/zinc/61/64/27/555616427.db2.gz XNNGEGFUCHDQSH-LSSDNNNWSA-N 0 0 427.931 5.393 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)c(C)c1 ZINC000001063958 555617242 /nfs/dbraw/zinc/61/72/42/555617242.db2.gz LABUAUHDIYJHBP-UHFFFAOYSA-N 0 0 442.968 5.627 50 0 IKAARN O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000001064995 555617815 /nfs/dbraw/zinc/61/78/15/555617815.db2.gz WYXHYUHWJAWBHF-UHFFFAOYSA-N 0 0 440.396 5.669 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000001065033 555617846 /nfs/dbraw/zinc/61/78/46/555617846.db2.gz RDIZLLNLGUPNJG-UHFFFAOYSA-N 0 0 443.728 5.536 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)s1 ZINC000001064805 555617862 /nfs/dbraw/zinc/61/78/62/555617862.db2.gz GWLRXLDJYSRUID-OAQYLSRUSA-N 0 0 432.328 5.062 50 0 IKAARN O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000001066076 555618312 /nfs/dbraw/zinc/61/83/12/555618312.db2.gz LWMOITNZUHRLIR-UHFFFAOYSA-N 0 0 440.908 5.030 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001066025 555618341 /nfs/dbraw/zinc/61/83/41/555618341.db2.gz AUDBPYMSSNCCSM-UHFFFAOYSA-N 0 0 443.330 6.042 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12 ZINC000001068433 555619572 /nfs/dbraw/zinc/61/95/72/555619572.db2.gz JLYPVPSZZMVOLY-UHFFFAOYSA-N 0 0 431.879 5.298 50 0 IKAARN O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000001068425 555619605 /nfs/dbraw/zinc/61/96/05/555619605.db2.gz SRHVSXOYQOVQLF-UHFFFAOYSA-N 0 0 429.501 5.218 50 0 IKAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1cccc(C(F)(F)F)c1 ZINC000001068816 555619971 /nfs/dbraw/zinc/61/99/71/555619971.db2.gz OPKZYVWOMGKEFW-UHFFFAOYSA-N 0 0 447.269 5.528 50 0 IKAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccc(C)cc3)n2)cc1 ZINC000001068538 555620000 /nfs/dbraw/zinc/62/00/00/555620000.db2.gz ZCHSTDVIRRYJIR-UHFFFAOYSA-N 0 0 440.532 5.288 50 0 IKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000001069374 555620262 /nfs/dbraw/zinc/62/02/62/555620262.db2.gz OSGVLIYLGBWQCR-UHFFFAOYSA-N 0 0 427.323 5.781 50 0 IKAARN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2nc3ccccc3n21 ZINC000001069407 555620269 /nfs/dbraw/zinc/62/02/69/555620269.db2.gz VAVTUCGHBGLNHF-VWLOTQADSA-N 0 0 438.531 5.589 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Br)o1 ZINC000001070208 555620870 /nfs/dbraw/zinc/62/08/70/555620870.db2.gz UCOGZCDFVOMRIX-UHFFFAOYSA-N 0 0 429.295 5.580 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000001070890 555621202 /nfs/dbraw/zinc/62/12/02/555621202.db2.gz GZBFBGBQEXUWRV-UHFFFAOYSA-N 0 0 429.303 5.436 50 0 IKAARN Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)NCc3cccnc3)c2c1 ZINC000001073560 555622514 /nfs/dbraw/zinc/62/25/14/555622514.db2.gz BRRNUJRIMAUUSU-UHFFFAOYSA-N 0 0 432.321 5.298 50 0 IKAARN OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000001073387 555622565 /nfs/dbraw/zinc/62/25/65/555622565.db2.gz INFWJWCGXBZJEV-UHFFFAOYSA-N 0 0 437.008 5.685 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc21 ZINC000001073980 555622920 /nfs/dbraw/zinc/62/29/20/555622920.db2.gz VEEIXJLXZFNAIZ-UHFFFAOYSA-N 0 0 425.532 6.164 50 0 IKAARN COc1ccc2nc(NC(=O)c3cc(-c4cccnc4)nc4c(C)cc(C)cc34)sc2c1 ZINC000001073692 555622954 /nfs/dbraw/zinc/62/29/54/555622954.db2.gz UNCDYZUDBVQQMW-UHFFFAOYSA-N 0 0 440.528 5.784 50 0 IKAARN COc1ccc(-c2csc(N3CCn4c5ccc(C)cc5c5c4[C@@H]3CCC5)n2)cc1OC ZINC000001075451 555623653 /nfs/dbraw/zinc/62/36/53/555623653.db2.gz QCAAVDMBZSQLLQ-QFIPXVFZSA-N 0 0 445.588 5.988 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000001075901 555623873 /nfs/dbraw/zinc/62/38/73/555623873.db2.gz ZBVGTAONSDVELS-LLVKDONJSA-N 0 0 439.343 5.044 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000001077058 555624628 /nfs/dbraw/zinc/62/46/28/555624628.db2.gz ZVFCCIGUPDSRHC-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN Cc1coc(C)c1C(=O)C[C@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000001079196 555625578 /nfs/dbraw/zinc/62/55/78/555625578.db2.gz WKGAZQMEDQZBFK-MHZLTWQESA-N 0 0 425.484 5.057 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCCC3)cc1 ZINC000001081051 555625940 /nfs/dbraw/zinc/62/59/40/555625940.db2.gz DYJVSLORUBYXOJ-UHFFFAOYSA-N 0 0 440.952 5.794 50 0 IKAARN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)cc1 ZINC000001079824 555625989 /nfs/dbraw/zinc/62/59/89/555625989.db2.gz PJYYFBWYNAQDGG-UHFFFAOYSA-N 0 0 446.572 5.012 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CC[C@H](C)C3)cc1 ZINC000001081626 555626241 /nfs/dbraw/zinc/62/62/41/555626241.db2.gz CZDYASPLRAODKK-INIZCTEOSA-N 0 0 434.561 5.315 50 0 IKAARN COc1ccc(NC(=O)c2c(C)c(-c3ccccc3)sc2NC(=O)c2ccco2)cc1 ZINC000001081055 555626308 /nfs/dbraw/zinc/62/63/08/555626308.db2.gz NXYSPCFZEUUNDO-UHFFFAOYSA-N 0 0 432.501 5.830 50 0 IKAARN COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2)cc1 ZINC000001094725 555627791 /nfs/dbraw/zinc/62/77/91/555627791.db2.gz OTRVAKSISOIZBM-UHFFFAOYSA-N 0 0 441.516 5.285 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccs1 ZINC000001096052 555627871 /nfs/dbraw/zinc/62/78/71/555627871.db2.gz UTWXFAHYMSZNLR-UHFFFAOYSA-N 0 0 449.891 5.615 50 0 IKAARN Cc1cc(Br)cc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc12 ZINC000001098026 555628005 /nfs/dbraw/zinc/62/80/05/555628005.db2.gz YFQUNPRLERPILT-UHFFFAOYSA-N 0 0 441.325 6.426 50 0 IKAARN Cc1ccc(-c2csc3nc(SCc4c(C)noc4C)n(-c4ccccc4)c(=O)c23)o1 ZINC000001098250 555628152 /nfs/dbraw/zinc/62/81/52/555628152.db2.gz MZEOYHBYPRVYNK-UHFFFAOYSA-N 0 0 449.557 5.913 50 0 IKAARN Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4Br)cc3n2)cc1 ZINC000001096483 555628166 /nfs/dbraw/zinc/62/81/66/555628166.db2.gz ZZEVPVLPYSTXRY-UHFFFAOYSA-N 0 0 441.716 5.397 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Br ZINC000001099313 555628491 /nfs/dbraw/zinc/62/84/91/555628491.db2.gz ANSSEZWGYHJQSO-UHFFFAOYSA-N 0 0 434.311 5.051 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000001104442 555629207 /nfs/dbraw/zinc/62/92/07/555629207.db2.gz GGTBTDZBNUAOKG-UHFFFAOYSA-N 0 0 426.925 5.403 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc3c(c2)CCCC3)c(C)c1 ZINC000001106044 555629641 /nfs/dbraw/zinc/62/96/41/555629641.db2.gz DHQBSXQQXVOQNQ-UHFFFAOYSA-N 0 0 429.516 5.396 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c(C)c1 ZINC000001109679 555630794 /nfs/dbraw/zinc/63/07/94/555630794.db2.gz BSRXHNASSNIJSH-UHFFFAOYSA-N 0 0 437.952 5.336 50 0 IKAARN Cc1cc2ncn(C[C@@H](O)COc3ccc4cc(Br)ccc4c3)c2cc1C ZINC000001111348 555631786 /nfs/dbraw/zinc/63/17/86/555631786.db2.gz JUPNWGYYXTZJLF-LJQANCHMSA-N 0 0 425.326 5.009 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000001113618 555633188 /nfs/dbraw/zinc/63/31/88/555633188.db2.gz QNNIWLJCEUMGSL-UHFFFAOYSA-N 0 0 434.590 5.267 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001114484 555633400 /nfs/dbraw/zinc/63/34/00/555633400.db2.gz UPAROXGHLBCGOG-UHFFFAOYSA-N 0 0 432.520 5.506 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000001114563 555633456 /nfs/dbraw/zinc/63/34/56/555633456.db2.gz DSQVCPNEJOKTCE-UHFFFAOYSA-N 0 0 447.516 5.012 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000001114987 555633782 /nfs/dbraw/zinc/63/37/82/555633782.db2.gz MQIKTEVGFGHYMH-FGZHOGPDSA-N 0 0 431.927 5.239 50 0 IKAARN Nc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000001114989 555633787 /nfs/dbraw/zinc/63/37/87/555633787.db2.gz MQIKTEVGFGHYMH-YADHBBJMSA-N 0 0 431.927 5.239 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001115173 555634032 /nfs/dbraw/zinc/63/40/32/555634032.db2.gz QMJYVBJGQPPCHL-UHFFFAOYSA-N 0 0 436.577 5.417 50 0 IKAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000001115340 555634064 /nfs/dbraw/zinc/63/40/64/555634064.db2.gz JRRGSOBWUPTQPG-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000001115996 555634423 /nfs/dbraw/zinc/63/44/23/555634423.db2.gz RCADTNISIHPHPZ-ZDUSSCGKSA-N 0 0 442.302 5.911 50 0 IKAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001116042 555634527 /nfs/dbraw/zinc/63/45/27/555634527.db2.gz QHMZMKSQAZVDDY-INIZCTEOSA-N 0 0 426.310 5.434 50 0 IKAARN Cc1sc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000001116725 555634948 /nfs/dbraw/zinc/63/49/48/555634948.db2.gz YPBRGLBMWNZBLA-INIZCTEOSA-N 0 0 449.601 5.034 50 0 IKAARN COc1ccc(OC)c([C@H](C)NC(=S)Nc2ccc(Br)cc2Cl)c1 ZINC000001118428 555635809 /nfs/dbraw/zinc/63/58/09/555635809.db2.gz ROSBPYQICSRKSV-JTQLQIEISA-N 0 0 429.767 5.167 50 0 IKAARN COC(=O)c1sc2cc(NC(=S)N[C@@H](C)c3ccc4c(c3)OCO4)ccc2c1Cl ZINC000001118264 555635835 /nfs/dbraw/zinc/63/58/35/555635835.db2.gz WQGXWNLYJOOVRN-JTQLQIEISA-N 0 0 448.953 5.118 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl)c1ccccc1 ZINC000001119082 555636115 /nfs/dbraw/zinc/63/61/15/555636115.db2.gz VDGSOBZQGXOUGQ-KRWDZBQOSA-N 0 0 438.980 5.703 50 0 IKAARN COC(=O)c1sc2cc(NC(=S)N[C@@H]3CCCc4ccccc43)ccc2c1Cl ZINC000001119073 555636161 /nfs/dbraw/zinc/63/61/61/555636161.db2.gz UPGCMEKTIFWGMU-MRXNPFEDSA-N 0 0 430.982 5.705 50 0 IKAARN Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000001119524 555636646 /nfs/dbraw/zinc/63/66/46/555636646.db2.gz HPKPJPBDJXMRKN-CABCVRRESA-N 0 0 439.144 5.076 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccccc1)c1sc2ccccc2c1Cl ZINC000001119601 555636659 /nfs/dbraw/zinc/63/66/59/555636659.db2.gz CIXNCGBGPVIZQC-UHFFFAOYSA-N 0 0 446.915 6.806 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1cccc(Br)c1)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000001119519 555636721 /nfs/dbraw/zinc/63/67/21/555636721.db2.gz HPKPJPBDJXMRKN-LSDHHAIUSA-N 0 0 439.144 5.076 50 0 IKAARN CN(c1ccccc1C(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000001120002 555636945 /nfs/dbraw/zinc/63/69/45/555636945.db2.gz FXOWBKPZENEYJK-UHFFFAOYSA-N 0 0 435.332 5.071 50 0 IKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1cccc3ccccc31)CCC2 ZINC000001120987 555637702 /nfs/dbraw/zinc/63/77/02/555637702.db2.gz DAFBUBCFXMPEOY-UHFFFAOYSA-N 0 0 442.540 5.903 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4ccc(C)cc4)ccc23)cc1 ZINC000001121161 555637952 /nfs/dbraw/zinc/63/79/52/555637952.db2.gz DHKLRLDTDIHQRM-UHFFFAOYSA-N 0 0 429.472 5.103 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1 ZINC000001122210 555638542 /nfs/dbraw/zinc/63/85/42/555638542.db2.gz ZPHRMIGOVWHJMZ-UHFFFAOYSA-N 0 0 445.386 5.099 50 0 IKAARN COc1ccc(CCn2c3c(c(=S)nc2-c2ccccc2)COC(C)(C)C3)cc1OC ZINC000001123385 555639110 /nfs/dbraw/zinc/63/91/10/555639110.db2.gz HQQBMBUDYNRQNI-UHFFFAOYSA-N 0 0 436.577 5.391 50 0 IKAARN Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001123789 555639304 /nfs/dbraw/zinc/63/93/04/555639304.db2.gz QVUZRJXCWJCPOV-UHFFFAOYSA-N 0 0 433.891 5.117 50 0 IKAARN Cc1cc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc(C)c1Cl ZINC000001123967 555639381 /nfs/dbraw/zinc/63/93/81/555639381.db2.gz NJMBSTUNUCQCLK-UHFFFAOYSA-N 0 0 433.895 5.691 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1Cl ZINC000001124991 555640203 /nfs/dbraw/zinc/64/02/03/555640203.db2.gz FRTRQIWRYLYZGN-UHFFFAOYSA-N 0 0 443.728 5.916 50 0 IKAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1C ZINC000001125799 555640527 /nfs/dbraw/zinc/64/05/27/555640527.db2.gz RHBVZSSJMWKQOV-UHFFFAOYSA-N 0 0 435.578 5.128 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000001125761 555640529 /nfs/dbraw/zinc/64/05/29/555640529.db2.gz VSQVQBPPZFZKLX-UHFFFAOYSA-N 0 0 428.513 5.942 50 0 IKAARN COc1cc(OC)c(NC(=O)COc2ccc(C(C)C)cc2Br)cc1Cl ZINC000001126978 555641661 /nfs/dbraw/zinc/64/16/61/555641661.db2.gz CYICQGNWTHSQTN-UHFFFAOYSA-N 0 0 442.737 5.261 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001127534 555642016 /nfs/dbraw/zinc/64/20/16/555642016.db2.gz QDKBJKVPZVYJHG-UHFFFAOYSA-N 0 0 436.577 5.197 50 0 IKAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000001127748 555642226 /nfs/dbraw/zinc/64/22/26/555642226.db2.gz VNORJPLJMJDRQW-LJQANCHMSA-N 0 0 440.565 5.255 50 0 IKAARN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 ZINC000001127821 555642252 /nfs/dbraw/zinc/64/22/52/555642252.db2.gz XHYPXLHESCJRFS-ZDUSSCGKSA-N 0 0 440.849 5.138 50 0 IKAARN CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 ZINC000001127823 555642269 /nfs/dbraw/zinc/64/22/69/555642269.db2.gz XHYPXLHESCJRFS-CYBMUJFWSA-N 0 0 440.849 5.138 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000001128502 555642802 /nfs/dbraw/zinc/64/28/02/555642802.db2.gz PXCAZRODUBSPKF-LJQANCHMSA-N 0 0 431.517 5.080 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccco1 ZINC000001128805 555643152 /nfs/dbraw/zinc/64/31/52/555643152.db2.gz ZBLBOHFPXVHKRJ-UHFFFAOYSA-N 0 0 444.818 5.005 50 0 IKAARN CCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000001129056 555643199 /nfs/dbraw/zinc/64/31/99/555643199.db2.gz FZXLDYNJKWRGTA-UHFFFAOYSA-N 0 0 448.514 5.223 50 0 IKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n21)C[C@H](C(C)C)OC3 ZINC000001129290 555643315 /nfs/dbraw/zinc/64/33/15/555643315.db2.gz ZHEUFBUXAVQNMV-OAHLLOKOSA-N 0 0 442.635 5.451 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc(Br)cc3)c2)cc1 ZINC000001129702 555643710 /nfs/dbraw/zinc/64/37/10/555643710.db2.gz NMXJEDGRBZZRGY-UHFFFAOYSA-N 0 0 440.293 5.067 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000001130437 555644177 /nfs/dbraw/zinc/64/41/77/555644177.db2.gz QCJXTOAKZBLWPA-UHFFFAOYSA-N 0 0 432.343 5.155 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)N[C@H](C)c1ccccc1 ZINC000001131121 555644488 /nfs/dbraw/zinc/64/44/88/555644488.db2.gz WYIJZAXDZVKRLO-OXQOHEQNSA-N 0 0 433.581 5.309 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000001131118 555644494 /nfs/dbraw/zinc/64/44/94/555644494.db2.gz WYIJZAXDZVKRLO-OXJNMPFZSA-N 0 0 433.581 5.309 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)Nc1c(C)cccc1C(C)C ZINC000009716002 555644776 /nfs/dbraw/zinc/64/47/76/555644776.db2.gz QIRZQUZLJHCPCV-CCEZHUSRSA-N 0 0 431.536 5.116 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000001131538 555644826 /nfs/dbraw/zinc/64/48/26/555644826.db2.gz XXAYYJLUQHUYNJ-JLHYYAGUSA-N 0 0 436.895 5.261 50 0 IKAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000001131166 555644866 /nfs/dbraw/zinc/64/48/66/555644866.db2.gz INMLMUGHRVMRKZ-UHFFFAOYSA-N 0 0 438.552 6.039 50 0 IKAARN COc1cc(-c2noc(-c3c(C)onc3-c3ccccc3Cl)n2)cc(OC)c1OC ZINC000001131522 555644871 /nfs/dbraw/zinc/64/48/71/555644871.db2.gz RIFHOWCSAHTPPE-UHFFFAOYSA-N 0 0 427.844 5.046 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 ZINC000001131598 555644884 /nfs/dbraw/zinc/64/48/84/555644884.db2.gz UHQIVROISGMHIH-UHFFFAOYSA-N 0 0 448.466 5.091 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000001133955 555646327 /nfs/dbraw/zinc/64/63/27/555646327.db2.gz DTKZLMGZHBCTAH-UHFFFAOYSA-N 0 0 438.336 5.303 50 0 IKAARN O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Br)c1 ZINC000001135330 555646892 /nfs/dbraw/zinc/64/68/92/555646892.db2.gz LMLXRCMQURUFHA-HSZRJFAPSA-N 0 0 432.317 5.089 50 0 IKAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000001137457 555647829 /nfs/dbraw/zinc/64/78/29/555647829.db2.gz VJJMCXZFWZIQHU-XWYWGPMTSA-N 0 0 443.930 5.093 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1F ZINC000001139432 555649072 /nfs/dbraw/zinc/64/90/72/555649072.db2.gz LXANYNYVIGBIDW-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN O=C(CSCc1ccccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001139960 555649453 /nfs/dbraw/zinc/64/94/53/555649453.db2.gz NMPHZHBUPJZPHN-UHFFFAOYSA-N 0 0 438.980 5.184 50 0 IKAARN CCCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1ccc(OC)cc1OC ZINC000001140675 555649694 /nfs/dbraw/zinc/64/96/94/555649694.db2.gz LDMYYLRRFJVUKJ-UHFFFAOYSA-N 0 0 426.538 5.609 50 0 IKAARN CCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(CC)s1)c1ccc(OC)c(OC)c1 ZINC000001140692 555649740 /nfs/dbraw/zinc/64/97/40/555649740.db2.gz BHKNUNPUTFKTMI-UHFFFAOYSA-N 0 0 430.957 6.118 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000001141236 555650043 /nfs/dbraw/zinc/65/00/43/555650043.db2.gz PFGXZAMCQHTSNJ-UHFFFAOYSA-N 0 0 444.409 5.227 50 0 IKAARN COc1ccc(-c2nc(N(C(=O)CCc3ccccc3)c3ccccc3F)sc2C)cc1 ZINC000001141133 555650070 /nfs/dbraw/zinc/65/00/70/555650070.db2.gz RSSUNRKTLFLSGW-UHFFFAOYSA-N 0 0 446.547 6.564 50 0 IKAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2CC)cc1 ZINC000001143072 555651228 /nfs/dbraw/zinc/65/12/28/555651228.db2.gz GSCNJAUKFHBWIR-SFHVURJKSA-N 0 0 438.597 5.348 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc(OC)c1OC ZINC000001143618 555651576 /nfs/dbraw/zinc/65/15/76/555651576.db2.gz HOZIDALZZYEZOT-UHFFFAOYSA-N 0 0 446.503 5.896 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000001143916 555651757 /nfs/dbraw/zinc/65/17/57/555651757.db2.gz LFKHPDBBUHZVNN-UHFFFAOYSA-N 0 0 426.738 5.560 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c1 ZINC000001144893 555652654 /nfs/dbraw/zinc/65/26/54/555652654.db2.gz RQNBUXLYCHFOJL-UHFFFAOYSA-N 0 0 428.989 5.602 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=O)COc4ccc(OC)cc4)ccc3Cl)nc2c1 ZINC000001145936 555653238 /nfs/dbraw/zinc/65/32/38/555653238.db2.gz OCGZFVASTOXTAS-UHFFFAOYSA-N 0 0 436.895 5.737 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1)c1cccs1 ZINC000001145866 555653316 /nfs/dbraw/zinc/65/33/16/555653316.db2.gz VEUABAWKJHOOGR-UHFFFAOYSA-N 0 0 428.513 5.832 50 0 IKAARN Cc1cccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c1 ZINC000001146061 555653511 /nfs/dbraw/zinc/65/35/11/555653511.db2.gz ALKANZKZMYRYLN-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000001146132 555653518 /nfs/dbraw/zinc/65/35/18/555653518.db2.gz JWXKMCCLKHMXQB-UHFFFAOYSA-N 0 0 432.524 5.036 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000001146259 555653543 /nfs/dbraw/zinc/65/35/43/555653543.db2.gz RZIVNKKGFAETBX-UHFFFAOYSA-N 0 0 449.967 5.276 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001146155 555653588 /nfs/dbraw/zinc/65/35/88/555653588.db2.gz AHYXWGODLOXPIE-NTEUORMPSA-N 0 0 446.450 5.158 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000001146814 555653830 /nfs/dbraw/zinc/65/38/30/555653830.db2.gz RAVDSGAORMHDSL-UHFFFAOYSA-N 0 0 442.588 5.514 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(I)ccc1Cl ZINC000001147420 555654302 /nfs/dbraw/zinc/65/43/02/555654302.db2.gz GFYMKSKWKQELPO-UHFFFAOYSA-N 0 0 426.468 5.504 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Br)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001147722 555654350 /nfs/dbraw/zinc/65/43/50/555654350.db2.gz PFEKJDVLXBQLPH-UHFFFAOYSA-N 0 0 449.304 6.008 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1 ZINC000001148083 555654697 /nfs/dbraw/zinc/65/46/97/555654697.db2.gz TXJVKGQGMTYREE-UHFFFAOYSA-N 0 0 444.988 5.384 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)c(C)c1 ZINC000001149799 555655903 /nfs/dbraw/zinc/65/59/03/555655903.db2.gz TWXKOWVLNIGROE-LJAQVGFWSA-N 0 0 435.523 5.464 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc5ccccc5[nH]4)cc3)sc2c1 ZINC000001150902 555656392 /nfs/dbraw/zinc/65/63/92/555656392.db2.gz OCBGEQVCCBIPTD-UHFFFAOYSA-N 0 0 430.558 5.879 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H](C)Oc1ccccc1OC ZINC000001151855 555656654 /nfs/dbraw/zinc/65/66/54/555656654.db2.gz XDGNKTVCVVNEAO-INIZCTEOSA-N 0 0 439.533 5.315 50 0 IKAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000009713567 555657844 /nfs/dbraw/zinc/65/78/44/555657844.db2.gz MDCZBFKQJJLFRA-QGZVFWFLSA-N 0 0 441.000 5.140 50 0 IKAARN O=C(COc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001154529 555658041 /nfs/dbraw/zinc/65/80/41/555658041.db2.gz NRFJCOSFCGOYPB-UHFFFAOYSA-N 0 0 433.463 5.416 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 ZINC000001154936 555658403 /nfs/dbraw/zinc/65/84/03/555658403.db2.gz PTGZERJVPREOHY-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccs1 ZINC000001155845 555658654 /nfs/dbraw/zinc/65/86/54/555658654.db2.gz HWOSAJKFMNQJLO-UHFFFAOYSA-N 0 0 435.578 5.041 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2c(Cl)cccc2Cl)NC(=S)N1 ZINC000001156416 555658942 /nfs/dbraw/zinc/65/89/42/555658942.db2.gz PIKZTCIINNJYPD-MRXNPFEDSA-N 0 0 426.756 5.078 50 0 IKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Br ZINC000001156382 555658944 /nfs/dbraw/zinc/65/89/44/555658944.db2.gz YZPQNNTTYUTCJS-UHFFFAOYSA-N 0 0 437.746 5.877 50 0 IKAARN O=C(Nc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1 ZINC000001156473 555658987 /nfs/dbraw/zinc/65/89/87/555658987.db2.gz NHTQVZZHFRDAPM-QFIPXVFZSA-N 0 0 436.511 5.487 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001156318 555658998 /nfs/dbraw/zinc/65/89/98/555658998.db2.gz DEHZHGYRZUMZTB-UHFFFAOYSA-N 0 0 446.161 5.791 50 0 IKAARN O=C(/C=C/c1ccco1)Nc1ccc(Cc2ccc(NC(=O)/C=C/c3ccco3)cc2)cc1 ZINC000001156882 555659308 /nfs/dbraw/zinc/65/93/08/555659308.db2.gz JSLIZSAFTFALQK-WXUKJITCSA-N 0 0 438.483 5.767 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 ZINC000001158447 555660554 /nfs/dbraw/zinc/66/05/54/555660554.db2.gz YDTFUJNXTDACTH-QHCPKHFHSA-N 0 0 435.951 6.030 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1OC ZINC000001158854 555660854 /nfs/dbraw/zinc/66/08/54/555660854.db2.gz ZCVJPDKEALWUSX-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1Cl ZINC000001158963 555660893 /nfs/dbraw/zinc/66/08/93/555660893.db2.gz ZMWWEFGJKLKRIN-UHFFFAOYSA-N 0 0 435.616 5.448 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1c(C)cc(C)cc1C)Nc1ccc(Br)cc1-2 ZINC000001160532 555661522 /nfs/dbraw/zinc/66/15/22/555661522.db2.gz GHYQUAZGBXGJJG-SFHVURJKSA-N 0 0 443.370 5.451 50 0 IKAARN O=C(Nc1ccc(O)cc1)c1ccc(Oc2cccc(C(=O)Nc3ccc(O)cc3)c2)cc1 ZINC000001161025 555661689 /nfs/dbraw/zinc/66/16/89/555661689.db2.gz ROLQNVGWGMJHIR-UHFFFAOYSA-N 0 0 440.455 5.395 50 0 IKAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000001161377 555662029 /nfs/dbraw/zinc/66/20/29/555662029.db2.gz BXZRFSOHPGFUPV-UHFFFAOYSA-N 0 0 439.968 5.229 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000001165736 555663797 /nfs/dbraw/zinc/66/37/97/555663797.db2.gz NQVBSOFQOMVVGX-UHFFFAOYSA-N 0 0 434.879 5.908 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)C2CCCCC2)cc1 ZINC000001165597 555663810 /nfs/dbraw/zinc/66/38/10/555663810.db2.gz JYUJCTIRKRHFHH-UHFFFAOYSA-N 0 0 436.577 5.110 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000001165674 555663853 /nfs/dbraw/zinc/66/38/53/555663853.db2.gz UONUAIWYDJQPMJ-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000001166696 555664411 /nfs/dbraw/zinc/66/44/11/555664411.db2.gz RRGPKWKHYYVSMK-UHFFFAOYSA-N 0 0 425.282 6.226 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001167595 555664866 /nfs/dbraw/zinc/66/48/66/555664866.db2.gz DOAWBKRKVNCBJX-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN CC(=O)S[C@@H](CC(=O)c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000001168202 555665263 /nfs/dbraw/zinc/66/52/63/555665263.db2.gz NVTRBEREWPIMKL-SANMLTNESA-N 0 0 440.568 6.442 50 0 IKAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Nc2ccccc2)cc1 ZINC000001169060 555665598 /nfs/dbraw/zinc/66/55/98/555665598.db2.gz UIZKSONHFTVXEP-UHFFFAOYSA-N 0 0 431.717 5.864 50 0 IKAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001169041 555665641 /nfs/dbraw/zinc/66/56/41/555665641.db2.gz YJWRJCBKVRDALM-UHFFFAOYSA-N 0 0 443.046 5.792 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(Cl)cc1 ZINC000001169257 555665929 /nfs/dbraw/zinc/66/59/29/555665929.db2.gz UPIUGIJMYBNXGV-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000009716131 555666479 /nfs/dbraw/zinc/66/64/79/555666479.db2.gz GZTVUKYNZFIWBL-UHFFFAOYSA-N 0 0 442.755 5.329 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 ZINC000001171167 555666746 /nfs/dbraw/zinc/66/67/46/555666746.db2.gz NCBREXXQWRRVSO-UHFFFAOYSA-N 0 0 435.911 5.993 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000001171248 555666782 /nfs/dbraw/zinc/66/67/82/555666782.db2.gz RGRKYPVDRFANAL-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN Cc1cc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)ccc1Br ZINC000001172174 555667361 /nfs/dbraw/zinc/66/73/61/555667361.db2.gz PLJWNQOTLWIKID-UHFFFAOYSA-N 0 0 437.293 5.583 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N2CCCC2)C1 ZINC000001172395 555667561 /nfs/dbraw/zinc/66/75/61/555667561.db2.gz RDOSWCPUUJVHBS-INIZCTEOSA-N 0 0 428.573 5.527 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001172254 555667565 /nfs/dbraw/zinc/66/75/65/555667565.db2.gz MWCUMDLYACKTMT-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3O)oc2c(C)c1 ZINC000001172763 555667893 /nfs/dbraw/zinc/66/78/93/555667893.db2.gz NRYQFGDMNQZJBH-UHFFFAOYSA-N 0 0 427.254 5.425 50 0 IKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 ZINC000001173960 555668578 /nfs/dbraw/zinc/66/85/78/555668578.db2.gz IIXRIDVFASKMDY-UHFFFAOYSA-N 0 0 445.544 5.717 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2C)cc1 ZINC000001174322 555668948 /nfs/dbraw/zinc/66/89/48/555668948.db2.gz YUKCGQBBEVDMJR-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN O=CN(Cc1ccccc1)c1ccc(Cc2ccc(N(C=O)Cc3ccccc3)cc2)cc1 ZINC000001174774 555669146 /nfs/dbraw/zinc/66/91/46/555669146.db2.gz UGMIKDZEEJBTNI-UHFFFAOYSA-N 0 0 434.539 5.603 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 ZINC000001175077 555669248 /nfs/dbraw/zinc/66/92/48/555669248.db2.gz PAXGYXFDSMUMBR-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000001175709 555669478 /nfs/dbraw/zinc/66/94/78/555669478.db2.gz DQZOPFWMKJPXDM-UHFFFAOYSA-N 0 0 435.530 5.182 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ccccc2s1 ZINC000001175537 555669516 /nfs/dbraw/zinc/66/95/16/555669516.db2.gz BYPKRPDZJXHJJH-UHFFFAOYSA-N 0 0 443.553 6.145 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1C ZINC000001175876 555669767 /nfs/dbraw/zinc/66/97/67/555669767.db2.gz ZDSKXIQTTVMOTP-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3cccs3)cc2)cc1 ZINC000001176821 555670041 /nfs/dbraw/zinc/67/00/41/555670041.db2.gz SPOBIDSTDZEFKC-UHFFFAOYSA-N 0 0 437.590 5.425 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)c1cc2cc(Br)ccc2oc1=O ZINC000001177244 555670251 /nfs/dbraw/zinc/67/02/51/555670251.db2.gz AWGUBGIDSWUHDM-UHFFFAOYSA-N 0 0 436.261 5.600 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cccc3ccccc32)cccc1-c1nc2ncccc2o1 ZINC000001178652 555670764 /nfs/dbraw/zinc/67/07/64/555670764.db2.gz TWPKABNOEVSJJG-UHFFFAOYSA-N 0 0 438.512 5.478 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2Cl)cc1 ZINC000001178956 555670773 /nfs/dbraw/zinc/67/07/73/555670773.db2.gz QJDFEYTYTKYJJR-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)sc2c1 ZINC000001178671 555670820 /nfs/dbraw/zinc/67/08/20/555670820.db2.gz QWNOEMYCPIDJCS-UHFFFAOYSA-N 0 0 443.553 6.145 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000001179554 555671172 /nfs/dbraw/zinc/67/11/72/555671172.db2.gz RSWOEEIZPDQZKB-PMERELPUSA-N 0 0 447.534 5.669 50 0 IKAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(Br)cc2)c1 ZINC000001179906 555671194 /nfs/dbraw/zinc/67/11/94/555671194.db2.gz GHSIGMGDIVNLCC-UHFFFAOYSA-N 0 0 441.778 5.232 50 0 IKAARN CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Br)cc1 ZINC000001180338 555671360 /nfs/dbraw/zinc/67/13/60/555671360.db2.gz PJJCLPUADWNHCQ-UHFFFAOYSA-N 0 0 431.355 5.786 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000001180258 555671437 /nfs/dbraw/zinc/67/14/37/555671437.db2.gz XRSFQHQTXQLJJC-UHFFFAOYSA-N 0 0 432.570 5.219 50 0 IKAARN Cc1c(NC(=S)NC(=O)C=Cc2ccco2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001181079 555671960 /nfs/dbraw/zinc/67/19/60/555671960.db2.gz XVNINMNCPHNHKG-CSKARUKUSA-N 0 0 437.908 5.576 50 0 IKAARN O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn21)c1ccc(Br)cc1 ZINC000001182291 555672190 /nfs/dbraw/zinc/67/21/90/555672190.db2.gz LOCWGLVEAZICPB-UHFFFAOYSA-N 0 0 426.701 5.670 50 0 IKAARN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@@H]2C1 ZINC000001182684 555672478 /nfs/dbraw/zinc/67/24/78/555672478.db2.gz MABFDTJNUOTLLK-JKSUJKDBSA-N 0 0 429.303 5.091 50 0 IKAARN Cc1cc(I)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001185190 555673707 /nfs/dbraw/zinc/67/37/07/555673707.db2.gz MFQIOYVFJIEYEC-UHFFFAOYSA-N 0 0 437.664 5.765 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1C ZINC000001185623 555673920 /nfs/dbraw/zinc/67/39/20/555673920.db2.gz GSKQMVUGWWZRMX-UHFFFAOYSA-N 0 0 442.302 5.831 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000001185731 555673934 /nfs/dbraw/zinc/67/39/34/555673934.db2.gz GITUCBVZOLPEDN-UHFFFAOYSA-N 0 0 442.302 5.831 50 0 IKAARN Cc1cc(I)ccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001185434 555673945 /nfs/dbraw/zinc/67/39/45/555673945.db2.gz VPSCZXYWVIXWAG-UHFFFAOYSA-N 0 0 427.285 5.370 50 0 IKAARN COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001185326 555673948 /nfs/dbraw/zinc/67/39/48/555673948.db2.gz NNVYPLWBFDFRCK-UHFFFAOYSA-N 0 0 434.879 5.528 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000001187064 555674893 /nfs/dbraw/zinc/67/48/93/555674893.db2.gz NPRROOIBPAAJIA-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1Cl ZINC000001188792 555675160 /nfs/dbraw/zinc/67/51/60/555675160.db2.gz DRZTVLSTEGVFLC-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)cc1C ZINC000001188369 555675239 /nfs/dbraw/zinc/67/52/39/555675239.db2.gz MCSMSOYZZBLLFC-UHFFFAOYSA-N 0 0 444.922 5.647 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 ZINC000001191681 555675779 /nfs/dbraw/zinc/67/57/79/555675779.db2.gz OYVSMFBHKMMONQ-INIZCTEOSA-N 0 0 426.756 5.078 50 0 IKAARN CCn1c2cc(C)c(C)cc2n2c1nc(-c1ccccc1)c2[C@@H](O)C(Cl)(Cl)Cl ZINC000001195083 555676696 /nfs/dbraw/zinc/67/66/96/555676696.db2.gz JYEMRNVTRGQUKT-LJQANCHMSA-N 0 0 436.770 5.996 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c3ccccc3n2)cc1 ZINC000001200102 555678202 /nfs/dbraw/zinc/67/82/02/555678202.db2.gz YGXNHOXDVPHNQA-UHFFFAOYSA-N 0 0 446.934 6.387 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(OCC)c1OCC ZINC000001200450 555678219 /nfs/dbraw/zinc/67/82/19/555678219.db2.gz YHGMWJREHZIJLD-UHFFFAOYSA-N 0 0 426.282 5.037 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)s3)nc3ccccc31)CCC2 ZINC000001199806 555678241 /nfs/dbraw/zinc/67/82/41/555678241.db2.gz OPBQTXRXFZKGEW-UHFFFAOYSA-N 0 0 448.569 5.861 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(C)s3)nc3ccccc32)cc1OC ZINC000001200782 555678465 /nfs/dbraw/zinc/67/84/65/555678465.db2.gz PAKVAAGEHYJIIE-UHFFFAOYSA-N 0 0 432.545 5.261 50 0 IKAARN Cc1ccccc1NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCC2 ZINC000001204022 555679679 /nfs/dbraw/zinc/67/96/79/555679679.db2.gz QICVRJPJFOFUNI-UHFFFAOYSA-N 0 0 440.952 5.468 50 0 IKAARN CCC(=O)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000001204061 555679686 /nfs/dbraw/zinc/67/96/86/555679686.db2.gz CNSXOHMCZHXKPC-UHFFFAOYSA-N 0 0 426.641 5.101 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000001204151 555679687 /nfs/dbraw/zinc/67/96/87/555679687.db2.gz VDQHYPOTKFAUCT-UHFFFAOYSA-N 0 0 437.293 5.583 50 0 IKAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000001206046 555680277 /nfs/dbraw/zinc/68/02/77/555680277.db2.gz JTOZBFHJMBELFS-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000001206561 555680628 /nfs/dbraw/zinc/68/06/28/555680628.db2.gz IDRSDQHZUPNBHS-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN O=C(c1ccco1)N(Cc1ccccc1Br)c1ccccc1Br ZINC000001207393 555680807 /nfs/dbraw/zinc/68/08/07/555680807.db2.gz RIXVVDJKFRDXRV-UHFFFAOYSA-N 0 0 435.115 5.652 50 0 IKAARN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc5ccccc5c4)cc3Cl)c21 ZINC000001207434 555680815 /nfs/dbraw/zinc/68/08/15/555680815.db2.gz OOYOUOKTQOLHMM-UHFFFAOYSA-N 0 0 425.893 5.559 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001206898 555680906 /nfs/dbraw/zinc/68/09/06/555680906.db2.gz RRGPRVZMYXSOMJ-UHFFFAOYSA-N 0 0 440.540 5.092 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001206880 555680926 /nfs/dbraw/zinc/68/09/26/555680926.db2.gz ABFIWOWGFXPACW-UHFFFAOYSA-N 0 0 430.847 6.366 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1Cl ZINC000001208355 555681172 /nfs/dbraw/zinc/68/11/72/555681172.db2.gz KOGJCFCWWIYCRR-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN COc1cc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc(OC)c1OC ZINC000001208341 555681244 /nfs/dbraw/zinc/68/12/44/555681244.db2.gz IYJDVXHRKDWDCA-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Br)cc1)cc2Cl ZINC000001210716 555682189 /nfs/dbraw/zinc/68/21/89/555682189.db2.gz MPFWQICAVZKCHP-UHFFFAOYSA-N 0 0 442.718 5.161 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000001211112 555682265 /nfs/dbraw/zinc/68/22/65/555682265.db2.gz GWSHULYJWPYJJU-UHFFFAOYSA-N 0 0 448.478 5.840 50 0 IKAARN O=C(Nc1cccc(O)c1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000001212428 555682516 /nfs/dbraw/zinc/68/25/16/555682516.db2.gz LHHXXSPRXGCGRR-UHFFFAOYSA-N 0 0 432.789 5.026 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc(OCC)c1OCC ZINC000001212659 555682724 /nfs/dbraw/zinc/68/27/24/555682724.db2.gz DSUFOTFJFNMQSD-UHFFFAOYSA-N 0 0 447.491 5.338 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)NCCc2ccccc2)C1 ZINC000001212652 555682734 /nfs/dbraw/zinc/68/27/34/555682734.db2.gz WKVBQBPKPAUQTD-MRXNPFEDSA-N 0 0 436.552 5.237 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 ZINC000001213797 555683371 /nfs/dbraw/zinc/68/33/71/555683371.db2.gz WKUPCASHXKSZLQ-AWEZNQCLSA-N 0 0 440.590 5.838 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001214404 555683412 /nfs/dbraw/zinc/68/34/12/555683412.db2.gz NDXUBFQWLSGUKT-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2-c2ccccc2)cc1 ZINC000001216691 555684230 /nfs/dbraw/zinc/68/42/30/555684230.db2.gz LCGKGINRQSIIAZ-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3cnc4ccccc4c3)[nH]2)cc(OC)c1OC ZINC000001216736 555684309 /nfs/dbraw/zinc/68/43/09/555684309.db2.gz VEGVBINOVWWKHL-UHFFFAOYSA-N 0 0 437.499 5.985 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000001218907 555685076 /nfs/dbraw/zinc/68/50/76/555685076.db2.gz FIUJAQSLZLPAME-UHFFFAOYSA-N 0 0 436.846 5.060 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1 ZINC000001219160 555685120 /nfs/dbraw/zinc/68/51/20/555685120.db2.gz NIKAVBDRPJWPHA-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN Cc1cccc(NC(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2ccccc2)c1 ZINC000001228516 555686256 /nfs/dbraw/zinc/68/62/56/555686256.db2.gz FXLKYFJFCVVWNF-QNGOZBTKSA-N 0 0 435.321 5.167 50 0 IKAARN COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc(C)c1 ZINC000001229522 555686266 /nfs/dbraw/zinc/68/62/66/555686266.db2.gz BEIMLNZNQXARID-UHFFFAOYSA-N 0 0 429.303 5.815 50 0 IKAARN O=C(c1no[n+]([O-])c1C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001230560 555686495 /nfs/dbraw/zinc/68/64/95/555686495.db2.gz XEYKQLLESGXTRH-UHFFFAOYSA-N 0 0 446.462 5.104 50 0 IKAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)c1ccccc1 ZINC000001234551 555686900 /nfs/dbraw/zinc/68/69/00/555686900.db2.gz USGFUMKCFLVVSK-UHFFFAOYSA-N 0 0 434.561 5.787 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1OC ZINC000001248198 555687532 /nfs/dbraw/zinc/68/75/32/555687532.db2.gz HQLXIRXCWPMGTL-UHFFFAOYSA-N 0 0 439.324 5.097 50 0 IKAARN O=C(Nc1nnc(CSCc2ccccc2F)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000001251217 555687827 /nfs/dbraw/zinc/68/78/27/555687827.db2.gz OOHUGSTXCNLXSU-UHFFFAOYSA-N 0 0 443.356 6.061 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccs1 ZINC000001266053 555688323 /nfs/dbraw/zinc/68/83/23/555688323.db2.gz RPRQFLDCJYEDDB-UHFFFAOYSA-N 0 0 429.979 5.805 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001266027 555688422 /nfs/dbraw/zinc/68/84/22/555688422.db2.gz UZEIZMAKYBHECI-UHFFFAOYSA-N 0 0 433.722 6.080 50 0 IKAARN Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1 ZINC000001294848 555689081 /nfs/dbraw/zinc/68/90/81/555689081.db2.gz KBRGELCXZJDPIE-OAQYLSRUSA-N 0 0 431.517 5.226 50 0 IKAARN Cc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)cc1 ZINC000001300600 555689366 /nfs/dbraw/zinc/68/93/66/555689366.db2.gz DMDKZRSFASHRRQ-UHFFFAOYSA-N 0 0 438.314 5.317 50 0 IKAARN CCOC(=O)c1ccccc1-c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000001389445 555693354 /nfs/dbraw/zinc/69/33/54/555693354.db2.gz MQMFDZQXWKRTHS-UHFFFAOYSA-N 0 0 435.427 5.650 50 0 IKAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000010537008 555693720 /nfs/dbraw/zinc/69/37/20/555693720.db2.gz NJQIBGDPGLWNMT-MUUNZHRXSA-N 0 0 449.510 5.059 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000001413845 555694685 /nfs/dbraw/zinc/69/46/85/555694685.db2.gz MLUGMEQNLAHTSE-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000001413850 555694701 /nfs/dbraw/zinc/69/47/01/555694701.db2.gz XJNOBMGRFPDNNX-UHFFFAOYSA-N 0 0 430.504 5.818 50 0 aggregator IKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1C ZINC000001413954 555694878 /nfs/dbraw/zinc/69/48/78/555694878.db2.gz JELXEJXEHQRWAP-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1Cl ZINC000001414925 555694891 /nfs/dbraw/zinc/69/48/91/555694891.db2.gz YXWKGGVJQAGLAV-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 ZINC000001414006 555694897 /nfs/dbraw/zinc/69/48/97/555694897.db2.gz DNIYBCMJCRLMJZ-UHFFFAOYSA-N 0 0 432.476 5.553 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000001413879 555695021 /nfs/dbraw/zinc/69/50/21/555695021.db2.gz WODUUAOKTICWJF-UHFFFAOYSA-N 0 0 445.544 5.501 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2C)cc1Cl ZINC000001426302 555695958 /nfs/dbraw/zinc/69/59/58/555695958.db2.gz KYGSQASYJLMAIA-UHFFFAOYSA-N 0 0 438.940 5.034 50 0 IKAARN O=C(Nc1nc2c(cccc2Cl)s1)c1cc(I)ccc1Cl ZINC000001427127 555696147 /nfs/dbraw/zinc/69/61/47/555696147.db2.gz CMVXUCDIOPILGM-UHFFFAOYSA-N 0 0 449.100 5.460 50 0 IKAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1ccc(Cl)cc1 ZINC000001428764 555696254 /nfs/dbraw/zinc/69/62/54/555696254.db2.gz PAQIPEQDINMHMU-UHFFFAOYSA-N 0 0 445.935 5.329 50 0 IKAARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000001437231 555697090 /nfs/dbraw/zinc/69/70/90/555697090.db2.gz ONOSVRGAHFKSPF-UHFFFAOYSA-N 0 0 434.355 5.418 50 0 biogenic IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NC1CCCCC1 ZINC000001437035 555697164 /nfs/dbraw/zinc/69/71/64/555697164.db2.gz RKGHJCVNXGKBSF-UHFFFAOYSA-N 0 0 426.973 5.129 50 0 IKAARN COc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000001439863 555697356 /nfs/dbraw/zinc/69/73/56/555697356.db2.gz JDUYQSHHONGQLF-DNQXCXABSA-N 0 0 437.923 5.510 50 0 IKAARN COc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000001439861 555697387 /nfs/dbraw/zinc/69/73/87/555697387.db2.gz JDUYQSHHONGQLF-BJKOFHAPSA-N 0 0 437.923 5.510 50 0 IKAARN O=C(CSc1ccccn1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000001440808 555697682 /nfs/dbraw/zinc/69/76/82/555697682.db2.gz OXGRKSPPNAGBDT-UHFFFAOYSA-N 0 0 431.439 5.084 50 0 IKAARN COc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(C)cc(C)c21 ZINC000001445933 555699108 /nfs/dbraw/zinc/69/91/08/555699108.db2.gz WXNDDPHUIFKRKP-UHFFFAOYSA-N 0 0 449.507 5.565 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccc3c(c2)OCO3)cc1 ZINC000001447573 555699224 /nfs/dbraw/zinc/69/92/24/555699224.db2.gz VBYPUMRSTXPRPV-UHFFFAOYSA-N 0 0 434.499 5.737 50 0 IKAARN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccco2)c1 ZINC000001447549 555699281 /nfs/dbraw/zinc/69/92/81/555699281.db2.gz HNGMJBFXWQCARD-UHFFFAOYSA-N 0 0 434.421 6.311 50 0 IKAARN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)cc1 ZINC000001447607 555699309 /nfs/dbraw/zinc/69/93/09/555699309.db2.gz DSPPIVBSUJMIBC-LJQANCHMSA-N 0 0 449.352 5.441 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccn2)cc1Cl ZINC000001447685 555699552 /nfs/dbraw/zinc/69/95/52/555699552.db2.gz XYVCARSFBDMWBL-UHFFFAOYSA-N 0 0 425.923 6.056 50 0 IKAARN COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000001447714 555699566 /nfs/dbraw/zinc/69/95/66/555699566.db2.gz QFXZPOJNAGPDPA-OAHLLOKOSA-N 0 0 437.341 5.297 50 0 IKAARN CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000001448761 555699610 /nfs/dbraw/zinc/69/96/10/555699610.db2.gz JWLKURGCMIHCEW-JOCHJYFZSA-N 0 0 440.565 5.031 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2Cl)N2CCOCC2)c1C ZINC000001448777 555699625 /nfs/dbraw/zinc/69/96/25/555699625.db2.gz ORHCYFBMDNVVMJ-FQEVSTJZSA-N 0 0 430.957 5.285 50 0 IKAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000001455636 555699952 /nfs/dbraw/zinc/69/99/52/555699952.db2.gz XGYCEQIFTRMCBC-UHFFFAOYSA-N 0 0 448.258 5.079 50 0 IKAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OC4CCCCCCC4)c(C)c3C(=O)C2)cc1OC ZINC000001461222 555700518 /nfs/dbraw/zinc/70/05/18/555700518.db2.gz JWENHYRUZIPVAM-SFHVURJKSA-N 0 0 439.552 5.523 50 0 IKAARN Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1Sc1ccc(Br)cc1 ZINC000001471305 555701598 /nfs/dbraw/zinc/70/15/98/555701598.db2.gz FGQCDIOEVJSGDO-UHFFFAOYSA-N 0 0 447.423 6.042 50 0 IKAARN CCc1cc2c(cc1OC(C)C)oc(C(F)(F)F)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000001504633 555702170 /nfs/dbraw/zinc/70/21/70/555702170.db2.gz QBWADPPRCMJGIG-UHFFFAOYSA-N 0 0 434.410 5.600 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000010540917 555702565 /nfs/dbraw/zinc/70/25/65/555702565.db2.gz VWZVHPRZQLRSFQ-DEOSSOPVSA-N 0 0 437.499 5.196 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3-c2ccccc2)c1 ZINC000001517265 555702568 /nfs/dbraw/zinc/70/25/68/555702568.db2.gz JHNLUNMLKAYKLG-UHFFFAOYSA-N 0 0 432.483 5.518 50 0 IKAARN COc1cc(OC)c(NC(=O)Oc2ccc(C(C)(C)C)cc2Br)cc1Cl ZINC000001753824 555712350 /nfs/dbraw/zinc/71/23/50/555712350.db2.gz OMVNWQSWDUNJLD-UHFFFAOYSA-N 0 0 442.737 6.028 50 0 IKAARN COc1ccc(OC)c([C@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)c1 ZINC000001749311 555712438 /nfs/dbraw/zinc/71/24/38/555712438.db2.gz JHJPYVDMUHWDAS-HSZRJFAPSA-N 0 0 435.501 6.353 50 0 IKAARN CCCCCOC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770133 555713282 /nfs/dbraw/zinc/71/32/82/555713282.db2.gz NSHCJWCEYHOJQL-UHFFFAOYSA-N 0 0 438.520 5.995 50 0 IKAARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000001771569 555713314 /nfs/dbraw/zinc/71/33/14/555713314.db2.gz GPBZFZRGCGCTIQ-UHFFFAOYSA-N 0 0 430.264 5.783 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OCc1ccccc1 ZINC000001775959 555713979 /nfs/dbraw/zinc/71/39/79/555713979.db2.gz WQGKKDHDIKACGV-BMRADRMJSA-N 0 0 443.587 7.173 50 0 IKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4c(C)cc(C)cc4C)ccc3c2=O)c1 ZINC000001774652 555714081 /nfs/dbraw/zinc/71/40/81/555714081.db2.gz ZRHWDYUSWKHMCL-UHFFFAOYSA-N 0 0 428.484 6.347 50 0 IKAARN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000001778277 555714249 /nfs/dbraw/zinc/71/42/49/555714249.db2.gz PKSQUSLRGGZHJP-UHFFFAOYSA-N 0 0 447.354 5.379 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001777661 555714255 /nfs/dbraw/zinc/71/42/55/555714255.db2.gz TVILYCHBHNFSED-UHFFFAOYSA-N 0 0 427.525 6.511 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000001776765 555714312 /nfs/dbraw/zinc/71/43/12/555714312.db2.gz HVSCDUCNKHKEST-ACCUITESSA-N 0 0 438.321 5.689 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4ccc(Br)cc4)c(=O)c23)cc1C ZINC000001778503 555714338 /nfs/dbraw/zinc/71/43/38/555714338.db2.gz MKLWURDXAWEABD-UHFFFAOYSA-N 0 0 425.351 5.553 50 0 IKAARN CCCCOc1ccccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000001777749 555714355 /nfs/dbraw/zinc/71/43/55/555714355.db2.gz METUHVZBHMZGJE-SFHVURJKSA-N 0 0 438.471 5.326 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C(c1ccccc1)c1ccccc1 ZINC000001781125 555714708 /nfs/dbraw/zinc/71/47/08/555714708.db2.gz CQBUKAXRUQIMMQ-UHFFFAOYSA-N 0 0 436.536 6.440 50 0 IKAARN CC(C)COP(=O)(OCC(C)C)[C@@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000001785979 555715298 /nfs/dbraw/zinc/71/52/98/555715298.db2.gz ZEDWZALLYXESMO-OAQYLSRUSA-N 0 0 443.446 7.354 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000001789828 555715695 /nfs/dbraw/zinc/71/56/95/555715695.db2.gz LDDHFKHHSOMSPZ-OAHLLOKOSA-N 0 0 435.574 5.876 50 0 IKAARN CCOP(=O)(N[C@@H](C(Cl)(Cl)Cl)P(=O)(OC(C)C)OC(C)C)OCC ZINC000001799795 555716632 /nfs/dbraw/zinc/71/66/32/555716632.db2.gz OYVZKPAMGYEXNU-LLVKDONJSA-N 0 0 448.648 5.497 50 0 IKAARN CCOP(=O)(N[C@H](C(Cl)(Cl)Cl)P(=O)(OC(C)C)OC(C)C)OCC ZINC000001799796 555716980 /nfs/dbraw/zinc/71/69/80/555716980.db2.gz OYVZKPAMGYEXNU-NSHDSACASA-N 0 0 448.648 5.497 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@](C)(CC)OC3 ZINC000001804410 555717197 /nfs/dbraw/zinc/71/71/97/555717197.db2.gz SZRIUYDEEVGDMM-QHCPKHFHSA-N 0 0 444.622 5.589 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000001804628 555717230 /nfs/dbraw/zinc/71/72/30/555717230.db2.gz MXSALCSRMZLYBO-MRXNPFEDSA-N 0 0 426.700 5.168 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CC[C@H](C)C2 ZINC000001807824 555717772 /nfs/dbraw/zinc/71/77/72/555717772.db2.gz SAMXSGFSXAQJHK-SFHVURJKSA-N 0 0 447.600 6.087 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CC[C@@H](C)C2 ZINC000001808614 555717784 /nfs/dbraw/zinc/71/77/84/555717784.db2.gz FZEVFSZDGGKBGC-OAHLLOKOSA-N 0 0 429.582 5.283 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000001807827 555717795 /nfs/dbraw/zinc/71/77/95/555717795.db2.gz SAMXSGFSXAQJHK-GOSISDBHSA-N 0 0 447.600 6.087 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CC[C@H](C)C2 ZINC000001808613 555717831 /nfs/dbraw/zinc/71/78/31/555717831.db2.gz FZEVFSZDGGKBGC-HNNXBMFYSA-N 0 0 429.582 5.283 50 0 IKAARN CC(C)c1nc2sc3c(c2c(=O)n1N)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000001812427 555718106 /nfs/dbraw/zinc/71/81/06/555718106.db2.gz MHHNOAAPAKEYPH-ICSRJNTNSA-N 0 0 433.602 5.415 50 0 IKAARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNc1ccccc1C ZINC000001831045 555719069 /nfs/dbraw/zinc/71/90/69/555719069.db2.gz QNHQBSSWBDQOCE-AREMUKBSSA-N 0 0 446.594 7.065 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001827732 555719082 /nfs/dbraw/zinc/71/90/82/555719082.db2.gz CNUKQXXRPLTYIQ-UHFFFAOYSA-N 0 0 444.644 6.858 50 0 biogenic IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 ZINC000001827860 555719140 /nfs/dbraw/zinc/71/91/40/555719140.db2.gz FGKFLIXXROEYQJ-GOSISDBHSA-N 0 0 428.623 5.745 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000001839113 555719751 /nfs/dbraw/zinc/71/97/51/555719751.db2.gz FEUHMJRFLBSCBU-UHFFFAOYSA-N 0 0 445.733 6.945 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000001840410 555720149 /nfs/dbraw/zinc/72/01/49/555720149.db2.gz HTQYEGTYWVPFKK-OAHLLOKOSA-N 0 0 434.923 6.923 50 0 IKAARN COc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1Cl ZINC000001847783 555720585 /nfs/dbraw/zinc/72/05/85/555720585.db2.gz TZGMCWDEPFCRMN-UHFFFAOYSA-N 0 0 425.755 6.305 50 0 IKAARN CCCCOc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1 ZINC000001852873 555720944 /nfs/dbraw/zinc/72/09/44/555720944.db2.gz XYNGLTYDQBVKAN-UHFFFAOYSA-N 0 0 433.391 6.822 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(Br)c1 ZINC000001858286 555721265 /nfs/dbraw/zinc/72/12/65/555721265.db2.gz MTDMCRUSXALZES-UHFFFAOYSA-N 0 0 427.264 5.711 50 0 IKAARN Cc1cccc(-c2ccc(OC(=O)c3ccccc3I)c(C)c2)c1 ZINC000001865793 555721594 /nfs/dbraw/zinc/72/15/94/555721594.db2.gz GCEXAQPUXDLMTO-UHFFFAOYSA-N 0 0 428.269 5.794 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1C ZINC000001863250 555721629 /nfs/dbraw/zinc/72/16/29/555721629.db2.gz VJOCSEUJEWSBQO-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1Cl ZINC000001868333 555721793 /nfs/dbraw/zinc/72/17/93/555721793.db2.gz HQKUTDGCJGLEQK-UHFFFAOYSA-N 0 0 426.866 6.000 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(Cl)cc4)C32)cc1 ZINC000001866484 555721895 /nfs/dbraw/zinc/72/18/95/555721895.db2.gz NVSYNUYQTFMLGH-GOTSBHOMSA-N 0 0 447.325 5.798 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001886782 555722669 /nfs/dbraw/zinc/72/26/69/555722669.db2.gz PGIJOBUHLUHZFE-NSHDSACASA-N 0 0 442.364 5.516 50 0 IKAARN O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1ccccc1Cl ZINC000001894113 555722947 /nfs/dbraw/zinc/72/29/47/555722947.db2.gz RROCETNKNPKPOK-UHFFFAOYSA-N 0 0 431.369 7.007 50 0 IKAARN CC(=O)Nc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1 ZINC000001895774 555723226 /nfs/dbraw/zinc/72/32/26/555723226.db2.gz JPMGNKRFEURFHJ-UHFFFAOYSA-N 0 0 449.561 5.529 50 0 IKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@H](C)C3 ZINC000001898838 555723302 /nfs/dbraw/zinc/72/33/02/555723302.db2.gz HHVAAFUPGPGCAN-HNNXBMFYSA-N 0 0 438.622 5.358 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2SCc2ccccc2F)cc1 ZINC000001902972 555723516 /nfs/dbraw/zinc/72/35/16/555723516.db2.gz LCOYZPQJPJHVSL-UHFFFAOYSA-N 0 0 439.533 5.914 50 0 IKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccccc1OC ZINC000001903343 555723625 /nfs/dbraw/zinc/72/36/25/555723625.db2.gz VPVDOWRQLDSANL-UHFFFAOYSA-N 0 0 425.506 5.008 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(Nc4ccc(OCc5ccc(Cl)cc5)cc4)c32)C1 ZINC000001910381 555724131 /nfs/dbraw/zinc/72/41/31/555724131.db2.gz AEOFECMEMIYQJA-HNNXBMFYSA-N 0 0 435.980 6.792 50 0 IKAARN Cc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000001910725 555724194 /nfs/dbraw/zinc/72/41/94/555724194.db2.gz MZFAYIUCMOFGCT-UHFFFAOYSA-N 0 0 425.966 6.051 50 0 IKAARN Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1 ZINC000001913476 555724457 /nfs/dbraw/zinc/72/44/57/555724457.db2.gz ZAPQQTUOWATTDS-UHFFFAOYSA-N 0 0 425.966 6.051 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccc(C)cc1C ZINC000001914017 555724484 /nfs/dbraw/zinc/72/44/84/555724484.db2.gz CQHSGCJJWWKYDG-UHFFFAOYSA-N 0 0 437.561 6.006 50 0 IKAARN CCCOc1ccc(-c2csc3ncn([C@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1 ZINC000001911969 555724490 /nfs/dbraw/zinc/72/44/90/555724490.db2.gz MXVMLUCYOVVAKG-QGZVFWFLSA-N 0 0 448.544 5.218 50 0 IKAARN CCCOc1ccc(-c2csc3ncn(Cc4c(F)cccc4Cl)c(=O)c23)cc1 ZINC000001912005 555724504 /nfs/dbraw/zinc/72/45/04/555724504.db2.gz QGBFSIZKIKUXIT-UHFFFAOYSA-N 0 0 428.916 5.755 50 0 IKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cc(Cl)ccc1Cl ZINC000001920463 555725052 /nfs/dbraw/zinc/72/50/52/555725052.db2.gz JVKFTKQSLDVJJV-UHFFFAOYSA-N 0 0 429.901 6.408 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc2ccccc21 ZINC000001921903 555725078 /nfs/dbraw/zinc/72/50/78/555725078.db2.gz LWFUWSZRTJHQRM-UHFFFAOYSA-N 0 0 431.513 6.006 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 ZINC000001940229 555725780 /nfs/dbraw/zinc/72/57/80/555725780.db2.gz FLCJIRPEVLQBGX-OCCSQVGLSA-N 0 0 435.973 5.417 50 0 IKAARN COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001946653 555726385 /nfs/dbraw/zinc/72/63/85/555726385.db2.gz ZXGJEUKTIVCVAJ-UHFFFAOYSA-N 0 0 442.364 5.518 50 0 IKAARN O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Nc1cccc(C(F)(F)F)c1 ZINC000001977968 555727001 /nfs/dbraw/zinc/72/70/01/555727001.db2.gz RNUZQEBHTJSBLE-UHFFFAOYSA-N 0 0 439.389 5.496 50 0 IKAARN CCCCCCOc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1 ZINC000002030799 555727971 /nfs/dbraw/zinc/72/79/71/555727971.db2.gz GJQXDKDEQNJJTF-UHFFFAOYSA-N 0 0 429.520 5.907 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)oc2c(C)c1 ZINC000002031534 555728071 /nfs/dbraw/zinc/72/80/71/555728071.db2.gz NKQJKEQIRFSASC-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000002050016 555728678 /nfs/dbraw/zinc/72/86/78/555728678.db2.gz RLDKEELJCMMTOE-UHFFFAOYSA-N 0 0 431.326 6.969 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000002050871 555728852 /nfs/dbraw/zinc/72/88/52/555728852.db2.gz YVIFXIGGSHVBOF-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000002050784 555728900 /nfs/dbraw/zinc/72/89/00/555728900.db2.gz TZSCNMHQDPILQV-UHFFFAOYSA-N 0 0 444.490 7.062 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(C)c5ccccc45)ccc3Cl)oc2c(C)c1 ZINC000002050828 555728913 /nfs/dbraw/zinc/72/89/13/555728913.db2.gz AYNZMPSCCWTIPE-UHFFFAOYSA-N 0 0 440.930 7.479 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000002052154 555729217 /nfs/dbraw/zinc/72/92/17/555729217.db2.gz UBQZWVIVRGJKBU-UHFFFAOYSA-N 0 0 436.364 6.195 50 0 IKAARN CC(C)(C)c1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000002052286 555729252 /nfs/dbraw/zinc/72/92/52/555729252.db2.gz HILZCCCFDVHPFL-UHFFFAOYSA-N 0 0 428.601 7.212 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c2ccccc12 ZINC000002052026 555729285 /nfs/dbraw/zinc/72/92/85/555729285.db2.gz IAMLQWWZHQAACZ-UHFFFAOYSA-N 0 0 447.321 7.516 50 0 IKAARN Cc1cccc(C(=O)N[C@@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)c1 ZINC000002054627 555729784 /nfs/dbraw/zinc/72/97/84/555729784.db2.gz TWAIORZXGLLPQO-OAHLLOKOSA-N 0 0 425.665 5.552 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](Nc2cccc(Cl)c2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002054623 555729798 /nfs/dbraw/zinc/72/97/98/555729798.db2.gz MVKCPLBYZVXTRU-OAHLLOKOSA-N 0 0 426.558 5.840 50 0 IKAARN O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054602 555729804 /nfs/dbraw/zinc/72/98/04/555729804.db2.gz DWHZGLDITSEUQS-AWEZNQCLSA-N 0 0 446.976 6.185 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002054646 555730025 /nfs/dbraw/zinc/73/00/25/555730025.db2.gz XIQAHADIJPSVQW-QGZVFWFLSA-N 0 0 434.194 6.176 50 0 IKAARN O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002054665 555730074 /nfs/dbraw/zinc/73/00/74/555730074.db2.gz SFDKCUYQCDHRET-CQSZACIVSA-N 0 0 446.083 5.897 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3)oc2c1 ZINC000002056903 555730878 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O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000002061319 555732055 /nfs/dbraw/zinc/73/20/55/555732055.db2.gz IXMWLMVYJNUPNO-NRFANRHFSA-N 0 0 441.275 5.811 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000002062660 555732470 /nfs/dbraw/zinc/73/24/70/555732470.db2.gz QLLNCHHTGGNQOP-UHFFFAOYSA-N 0 0 444.490 7.062 50 0 IKAARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000002062832 555732476 /nfs/dbraw/zinc/73/24/76/555732476.db2.gz MMHTUHHECOBIBM-AWEZNQCLSA-N 0 0 448.346 6.310 50 0 IKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cccc(Cl)c1Cl ZINC000002062871 555732496 /nfs/dbraw/zinc/73/24/96/555732496.db2.gz ZEUXEQLXCFSNPK-UHFFFAOYSA-N 0 0 429.901 6.408 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000002062666 555732541 /nfs/dbraw/zinc/73/25/41/555732541.db2.gz VMKJIYJVHVBZCT-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN CCOc1cccc2cc(-c3nnc(Nc4ccc(Cl)cc4Cl)s3)c(=O)oc21 ZINC000002063629 555732759 /nfs/dbraw/zinc/73/27/59/555732759.db2.gz HDKCAVSWVSADKC-UHFFFAOYSA-N 0 0 434.304 5.761 50 0 IKAARN CCCCOc1cc2nn(-c3ccc4cc(-c5ccccc5)c(=O)oc4c3)nc2cc1C ZINC000002065224 555733078 /nfs/dbraw/zinc/73/30/78/555733078.db2.gz JMSUKSPHFGUCQV-UHFFFAOYSA-N 0 0 425.488 5.681 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000002066405 555733309 /nfs/dbraw/zinc/73/33/09/555733309.db2.gz CWBGLVQBYSTRCH-UHFFFAOYSA-N 0 0 446.131 6.122 50 0 IKAARN COc1ccc(N(Cc2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000002066400 555733441 /nfs/dbraw/zinc/73/34/41/555733441.db2.gz CSBWFUXSLRJFNM-UHFFFAOYSA-N 0 0 430.729 5.958 50 0 IKAARN Cc1nn([C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)c(C)c1Br ZINC000002066542 555733664 /nfs/dbraw/zinc/73/36/64/555733664.db2.gz LRAYIWRWBBECSM-XMMPIXPASA-N 0 0 447.376 5.788 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc(Cl)ccc1Cl ZINC000002067264 555733707 /nfs/dbraw/zinc/73/37/07/555733707.db2.gz RLPYDXYYGXRALQ-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002067692 555733915 /nfs/dbraw/zinc/73/39/15/555733915.db2.gz UMNUYDFMCKTVJG-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000002068931 555734048 /nfs/dbraw/zinc/73/40/48/555734048.db2.gz QDQCIPKXNJWKEF-FSNWXROXSA-N 0 0 438.569 5.931 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4C)cc3)cc2)c(C)c1 ZINC000002069594 555734229 /nfs/dbraw/zinc/73/42/29/555734229.db2.gz CWJIZBRXQZLQCN-UHFFFAOYSA-N 0 0 448.566 7.092 50 0 IKAARN COC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002070288 555734525 /nfs/dbraw/zinc/73/45/25/555734525.db2.gz RSJCKHZEGPQSEV-JOCHJYFZSA-N 0 0 435.321 5.105 50 0 IKAARN CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000002069807 555734570 /nfs/dbraw/zinc/73/45/70/555734570.db2.gz SNULEYLCSPXQKO-GOSISDBHSA-N 0 0 429.004 6.057 50 0 IKAARN CCc1cc2c(nc(SCC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c2=O)s1 ZINC000002070060 555734657 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CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3cc(C)ccc3C)c2c1 ZINC000002074113 555735666 /nfs/dbraw/zinc/73/56/66/555735666.db2.gz DBKWZFXCOROMFW-UHFFFAOYSA-N 0 0 445.563 6.346 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccccc2C)nc(SCc2ccc(Cl)cc2)n1 ZINC000002074247 555735705 /nfs/dbraw/zinc/73/57/05/555735705.db2.gz BYUCYRGWOACSCG-UHFFFAOYSA-N 0 0 429.998 5.770 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2c1 ZINC000002078767 555736248 /nfs/dbraw/zinc/73/62/48/555736248.db2.gz CTLMFMFWGHAHIE-UHFFFAOYSA-N 0 0 443.930 6.520 50 0 IKAARN COc1ccc(C(=O)[C@H](OC(=O)c2ccc3c(c2)-c2ccccc2C3=O)c2ccccc2)cc1 ZINC000002078583 555736279 /nfs/dbraw/zinc/73/62/79/555736279.db2.gz POFRBVVRPKTVRN-MUUNZHRXSA-N 0 0 448.474 5.688 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc32)cc1 ZINC000002078769 555736318 /nfs/dbraw/zinc/73/63/18/555736318.db2.gz DZMFIXNKTUMOCZ-UHFFFAOYSA-N 0 0 439.511 5.875 50 0 IKAARN Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 ZINC000002079047 555736637 /nfs/dbraw/zinc/73/66/37/555736637.db2.gz WTCQBZBCBCSOAO-UHFFFAOYSA-N 0 0 442.603 7.095 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000002078905 555736649 /nfs/dbraw/zinc/73/66/49/555736649.db2.gz QDAUTAWNHDKLRX-UHFFFAOYSA-N 0 0 449.934 5.930 50 0 IKAARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000002079094 555736690 /nfs/dbraw/zinc/73/66/90/555736690.db2.gz KKPAKICXTJXUEQ-UHFFFAOYSA-N 0 0 431.488 5.241 50 0 IKAARN CC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000002079302 555736807 /nfs/dbraw/zinc/73/68/07/555736807.db2.gz JHLGXHHERNPJDS-UHFFFAOYSA-N 0 0 431.557 6.730 50 0 IKAARN Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(C)cc32)c1 ZINC000002079377 555736817 /nfs/dbraw/zinc/73/68/17/555736817.db2.gz SCJUKKHPLZYOED-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21 ZINC000002079286 555736953 /nfs/dbraw/zinc/73/69/53/555736953.db2.gz REAALWBDFYITQC-UHFFFAOYSA-N 0 0 429.560 6.722 50 0 IKAARN CC[C@@H](OC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21)C(=O)c1ccccc1 ZINC000002079114 555736971 /nfs/dbraw/zinc/73/69/71/555736971.db2.gz JCNFAIWGZRYARF-RUZDIDTESA-N 0 0 425.484 5.729 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc32)cc1 ZINC000002079502 555736977 /nfs/dbraw/zinc/73/69/77/555736977.db2.gz FTYNLIKAXWQPPJ-NRFANRHFSA-N 0 0 437.539 6.564 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3c(Cl)cccc32)cc1 ZINC000002079605 555737212 /nfs/dbraw/zinc/73/72/12/555737212.db2.gz BQKYZRMQXABQFZ-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2c(C)cc(Br)cc12 ZINC000002079556 555737246 /nfs/dbraw/zinc/73/72/46/555737246.db2.gz UQISLXDSGDEHRJ-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)c1ccccc1 ZINC000002079528 555737265 /nfs/dbraw/zinc/73/72/65/555737265.db2.gz WZCXEAYSSISALQ-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c(C)c1 ZINC000002079557 555737279 /nfs/dbraw/zinc/73/72/79/555737279.db2.gz LVPSFDMVVSUYTB-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)c3cccs3)cc2)cc1C ZINC000002079651 555737549 /nfs/dbraw/zinc/73/75/49/555737549.db2.gz WJORSSVNROHJBX-UHFFFAOYSA-N 0 0 437.517 5.302 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2Nc2ccccc2)c2ccccc2)cc1C ZINC000002079639 555737568 /nfs/dbraw/zinc/73/75/68/555737568.db2.gz HJVHSLTYQWOQNN-NDEPHWFRSA-N 0 0 435.523 6.828 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1 ZINC000002079756 555737828 /nfs/dbraw/zinc/73/78/28/555737828.db2.gz PACRJUWWKRNVST-UHFFFAOYSA-N 0 0 426.516 6.178 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000002080059 555737829 /nfs/dbraw/zinc/73/78/29/555737829.db2.gz FJJDGORHSABVHC-LLVKDONJSA-N 0 0 426.365 5.997 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c1 ZINC000002079780 555737844 /nfs/dbraw/zinc/73/78/44/555737844.db2.gz LSSVYQKTWLTOAD-UHFFFAOYSA-N 0 0 446.934 6.442 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cccc4ccccc43)c3cc(C)cc(C)c3n2)cc1 ZINC000002079770 555737848 /nfs/dbraw/zinc/73/78/48/555737848.db2.gz XOONJFYHNZCAMO-UHFFFAOYSA-N 0 0 432.523 6.933 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000002080058 555737851 /nfs/dbraw/zinc/73/78/51/555737851.db2.gz FJJDGORHSABVHC-NSHDSACASA-N 0 0 426.365 5.997 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c(OC)c1 ZINC000002079779 555737866 /nfs/dbraw/zinc/73/78/66/555737866.db2.gz WCVHWNFYNKPUNS-UHFFFAOYSA-N 0 0 446.934 6.442 50 0 IKAARN O=C(NC1CCCCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002081423 555738101 /nfs/dbraw/zinc/73/81/01/555738101.db2.gz NUAACHGOHHWNSV-UHFFFAOYSA-N 0 0 427.375 7.051 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002081494 555738134 /nfs/dbraw/zinc/73/81/34/555738134.db2.gz GVUMMLGRVAATPE-UHFFFAOYSA-N 0 0 437.724 6.570 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002081980 555738388 /nfs/dbraw/zinc/73/83/88/555738388.db2.gz IHRWNQGWHCPMHK-UHFFFAOYSA-N 0 0 437.326 6.778 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc43)sc2c1 ZINC000002081956 555738409 /nfs/dbraw/zinc/73/84/09/555738409.db2.gz DQXKEHOVXPBNBL-UHFFFAOYSA-N 0 0 435.961 6.787 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@@H](CC)C2 ZINC000002082288 555738640 /nfs/dbraw/zinc/73/86/40/555738640.db2.gz CNZJIEDZVLOXBF-CQSZACIVSA-N 0 0 435.973 5.419 50 0 IKAARN Cc1cccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)c3ccccc3n2)c1 ZINC000002082862 555738658 /nfs/dbraw/zinc/73/86/58/555738658.db2.gz XYJBQNSJQLMREK-UHFFFAOYSA-N 0 0 429.932 6.726 50 0 IKAARN Cc1cc(C)n(C[C@@H](O)Cn2c3c(cc(C)cc3C)c(-c3ccccc3)c2-c2ccccc2)n1 ZINC000002083376 555738891 /nfs/dbraw/zinc/73/88/91/555738891.db2.gz ZESFSVJJSQJEKB-SANMLTNESA-N 0 0 449.598 6.467 50 0 IKAARN Cc1nc2c(cc(Oc3nnc(-c4ccc(F)cc4)c4ccccc43)c3ccsc32)s1 ZINC000002083508 555738895 /nfs/dbraw/zinc/73/88/95/555738895.db2.gz NBHCFCAEEJSWJC-UHFFFAOYSA-N 0 0 443.528 7.361 50 0 IKAARN CN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000002083886 555739179 /nfs/dbraw/zinc/73/91/79/555739179.db2.gz WAFWFWMLICEHLS-UHFFFAOYSA-N 0 0 436.342 6.527 50 0 IKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000002084086 555739217 /nfs/dbraw/zinc/73/92/17/555739217.db2.gz VGUPCDRVLKIHRL-NHDPSOOVSA-N 0 0 442.273 6.056 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 ZINC000002084414 555739464 /nfs/dbraw/zinc/73/94/64/555739464.db2.gz DYOCAYGABKHEPS-UHFFFAOYSA-N 0 0 448.009 6.703 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000002084710 555739469 /nfs/dbraw/zinc/73/94/69/555739469.db2.gz LDHUOWICCAGBSE-KRWDZBQOSA-N 0 0 426.626 5.938 50 0 IKAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002084331 555739476 /nfs/dbraw/zinc/73/94/76/555739476.db2.gz VFEMHCUWZMALCS-OAQYLSRUSA-N 0 0 439.602 6.268 50 0 IKAARN CCCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2 ZINC000002084439 555739490 /nfs/dbraw/zinc/73/94/90/555739490.db2.gz RNZIIOKVDBVOTH-CQSZACIVSA-N 0 0 435.973 5.643 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002084930 555739742 /nfs/dbraw/zinc/73/97/42/555739742.db2.gz CGVOXHHSRATXNZ-AWEZNQCLSA-N 0 0 433.545 5.232 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1Cl)C[C@H](C)CC2 ZINC000002085637 555739749 /nfs/dbraw/zinc/73/97/49/555739749.db2.gz AOFNCDIOWSNZCK-LLVKDONJSA-N 0 0 444.940 5.529 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)c3ccccc3n2)cc1 ZINC000002085365 555739758 /nfs/dbraw/zinc/73/97/58/555739758.db2.gz NTAVIASSZJSNTK-UHFFFAOYSA-N 0 0 435.296 6.364 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC000002084886 555739765 /nfs/dbraw/zinc/73/97/65/555739765.db2.gz ZLQFXCQKGHDFSN-CYBMUJFWSA-N 0 0 435.973 5.417 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000002085550 555739787 /nfs/dbraw/zinc/73/97/87/555739787.db2.gz DQUZXFDHUNAEOR-UHFFFAOYSA-N 0 0 433.982 6.314 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000002086456 555739974 /nfs/dbraw/zinc/73/99/74/555739974.db2.gz PIBOHJFCAFPWKW-FGZHOGPDSA-N 0 0 428.576 5.189 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000002086318 555739976 /nfs/dbraw/zinc/73/99/76/555739976.db2.gz DTAQRWNRPBKCDO-UHFFFAOYSA-N 0 0 442.562 7.053 50 0 IKAARN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002086528 555739983 /nfs/dbraw/zinc/73/99/83/555739983.db2.gz HGZQGYLYIIKVEI-UHFFFAOYSA-N 0 0 445.708 7.253 50 0 IKAARN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCCC2 ZINC000002085934 555740016 /nfs/dbraw/zinc/74/00/16/555740016.db2.gz XROMYIWJNPLUOV-UHFFFAOYSA-N 0 0 433.982 6.314 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccc(Br)cc1-2 ZINC000002087220 555740312 /nfs/dbraw/zinc/74/03/12/555740312.db2.gz BFVLKJKYNXXOQX-HNNXBMFYSA-N 0 0 435.372 5.368 50 0 IKAARN O=C1c2ccccc2C(=O)N1CCCCSc1ncnc2scc(-c3ccccc3)c21 ZINC000002087644 555740319 /nfs/dbraw/zinc/74/03/19/555740319.db2.gz ZEOJUUZMHOZFFF-UHFFFAOYSA-N 0 0 445.569 5.527 50 0 IKAARN Oc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1 ZINC000002086998 555740328 /nfs/dbraw/zinc/74/03/28/555740328.db2.gz PCAZKHLYCAMLFM-OAQYLSRUSA-N 0 0 448.935 5.693 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cc(Cl)cc(Cl)c1OC)Nc1ccccc1-2 ZINC000002087090 555740341 /nfs/dbraw/zinc/74/03/41/555740341.db2.gz FEGWQIVUDMANIG-QGZVFWFLSA-N 0 0 435.336 5.469 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000002088730 555740796 /nfs/dbraw/zinc/74/07/96/555740796.db2.gz URUQWAPMLWAQNG-FVDSYPCUSA-N 0 0 426.472 5.403 50 0 IKAARN Cc1sc(NC(=O)CCCc2ccccc2)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000002088789 555740819 /nfs/dbraw/zinc/74/08/19/555740819.db2.gz MMAFOFCUDDCGLY-UHFFFAOYSA-N 0 0 434.605 6.081 50 0 IKAARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000002091232 555741162 /nfs/dbraw/zinc/74/11/62/555741162.db2.gz QXZUOQZRHFSFLN-KGENOOAVSA-N 0 0 448.353 6.418 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCCCCCCC2 ZINC000002089779 555741165 /nfs/dbraw/zinc/74/11/65/555741165.db2.gz YHQJXYVLLFILSV-UHFFFAOYSA-N 0 0 445.600 6.924 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000002093368 555741411 /nfs/dbraw/zinc/74/14/11/555741411.db2.gz KSDSGOWTJONXRV-UHFFFAOYSA-N 0 0 442.588 5.844 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccc(O)c2)Nc2ccccc2-3)cc1 ZINC000002094913 555741997 /nfs/dbraw/zinc/74/19/97/555741997.db2.gz BGJBIQROTOAHCC-QFIPXVFZSA-N 0 0 428.517 5.348 50 0 IKAARN COc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccc(C)cc3)nc2O1 ZINC000002094692 555741998 /nfs/dbraw/zinc/74/19/98/555741998.db2.gz HLWFQZPLANWJCB-QHCPKHFHSA-N 0 0 442.544 5.651 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(OCC)c1)Nc1ccccc1-2 ZINC000002096006 555742400 /nfs/dbraw/zinc/74/24/00/555742400.db2.gz GGTHBZVVQKJTDP-OAQYLSRUSA-N 0 0 438.553 5.341 50 0 IKAARN CCCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)(F)F ZINC000002102304 555742624 /nfs/dbraw/zinc/74/26/24/555742624.db2.gz ZKYGEFXAKFFKGK-UHFFFAOYSA-N 0 0 436.249 5.245 50 0 IKAARN Cc1occc1C(=O)Nc1scc(-c2ccc(-c3ccccc3)cc2)c1C(=O)OC(C)C ZINC000002102489 555742631 /nfs/dbraw/zinc/74/26/31/555742631.db2.gz CUTVDOHJBYZUEH-UHFFFAOYSA-N 0 0 445.540 6.801 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(C)=O)c1ccccc1-2 ZINC000002104618 555742925 /nfs/dbraw/zinc/74/29/25/555742925.db2.gz JMETZEHGPNETLT-NRFANRHFSA-N 0 0 440.594 5.717 50 0 IKAARN Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(C(=O)OC(C)C)c1-c1cc(C)ccc1C ZINC000002103457 555742933 /nfs/dbraw/zinc/74/29/33/555742933.db2.gz FSBDFNIDHLBQJL-VXKWHMMOSA-N 0 0 447.600 6.648 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002105172 555743141 /nfs/dbraw/zinc/74/31/41/555743141.db2.gz LXYJFZAMQXBEAR-UHFFFAOYSA-N 0 0 426.825 6.826 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CC[C@H](CC)C2 ZINC000002105131 555743171 /nfs/dbraw/zinc/74/31/71/555743171.db2.gz GDXAWBGPESQKBP-LBPRGKRZSA-N 0 0 440.392 5.928 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](CC)C2 ZINC000002105082 555743206 /nfs/dbraw/zinc/74/32/06/555743206.db2.gz HROXJTRDYJTJRR-GFCCVEGCSA-N 0 0 440.392 5.928 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CC[C@@H](CC)C2 ZINC000002105133 555743234 /nfs/dbraw/zinc/74/32/34/555743234.db2.gz GDXAWBGPESQKBP-GFCCVEGCSA-N 0 0 440.392 5.928 50 0 IKAARN Cc1sc(NC(=O)COc2ccc(C)c(C)c2)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000002105361 555743239 /nfs/dbraw/zinc/74/32/39/555743239.db2.gz RRPONLNPYUHRPF-UHFFFAOYSA-N 0 0 436.577 5.580 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000002105619 555743509 /nfs/dbraw/zinc/74/35/09/555743509.db2.gz FICUXKQAPZRSAT-HSZRJFAPSA-N 0 0 426.947 6.671 50 0 IKAARN CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000002105607 555743552 /nfs/dbraw/zinc/74/35/52/555743552.db2.gz PWVDJUMZJGMLHU-NRFANRHFSA-N 0 0 438.571 6.880 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c1 ZINC000002108369 555743777 /nfs/dbraw/zinc/74/37/77/555743777.db2.gz MSHLPPKOHYVWSZ-HXUWFJFHSA-N 0 0 438.571 6.600 50 0 IKAARN CCCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(OC)cc1 ZINC000002107860 555743787 /nfs/dbraw/zinc/74/37/87/555743787.db2.gz YBFCRUGDEPJIJO-UHFFFAOYSA-N 0 0 425.506 5.251 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2cc(Cl)ccc2Cl)cc1 ZINC000002107912 555743836 /nfs/dbraw/zinc/74/38/36/555743836.db2.gz FZHIHQQIIKKFQG-UHFFFAOYSA-N 0 0 441.141 7.132 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 ZINC000002107835 555743870 /nfs/dbraw/zinc/74/38/70/555743870.db2.gz DYNLLUFKSBHMKK-UHFFFAOYSA-N 0 0 433.385 7.146 50 0 IKAARN COC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)scc1-c1ccc(F)cc1 ZINC000002108909 555744082 /nfs/dbraw/zinc/74/40/82/555744082.db2.gz YFTRXXPYLHBQLG-UHFFFAOYSA-N 0 0 447.915 5.790 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2nc(-c3cc(C)ccc3C)c(C)s2)cc1 ZINC000002112475 555744453 /nfs/dbraw/zinc/74/44/53/555744453.db2.gz XBKPIXLMMPNJKC-UHFFFAOYSA-N 0 0 439.606 5.651 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccc(Br)cc1-2 ZINC000002113840 555744747 /nfs/dbraw/zinc/74/47/47/555744747.db2.gz NZUCDVBPUBRGHY-INIZCTEOSA-N 0 0 449.399 5.758 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002117632 555745293 /nfs/dbraw/zinc/74/52/93/555745293.db2.gz JERKOZZLSQQQJY-UHFFFAOYSA-N 0 0 446.616 6.168 50 0 biogenic IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1 ZINC000002122071 555745591 /nfs/dbraw/zinc/74/55/91/555745591.db2.gz WADAFGBVISKNGG-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 ZINC000002122058 555745621 /nfs/dbraw/zinc/74/56/21/555745621.db2.gz LRCUEDGPQOYTOH-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000002126233 555745917 /nfs/dbraw/zinc/74/59/17/555745917.db2.gz RJLDOYUSBGDLHJ-UHFFFAOYSA-N 0 0 434.923 6.598 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000002126449 555745944 /nfs/dbraw/zinc/74/59/44/555745944.db2.gz GTPLILSXFKDWLW-UHFFFAOYSA-N 0 0 436.964 6.559 50 0 IKAARN CCc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000002128501 555745955 /nfs/dbraw/zinc/74/59/55/555745955.db2.gz ZVMHQTKXENVUNZ-UHFFFAOYSA-N 0 0 441.387 6.491 50 0 IKAARN C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002132947 555746588 /nfs/dbraw/zinc/74/65/88/555746588.db2.gz DTUZAKNXYOTZLL-OAQYLSRUSA-N 0 0 434.539 5.569 50 0 IKAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002131823 555746604 /nfs/dbraw/zinc/74/66/04/555746604.db2.gz SBWVMCVMQLPONZ-JTQLQIEISA-N 0 0 428.337 5.126 50 0 IKAARN Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002134610 555746941 /nfs/dbraw/zinc/74/69/41/555746941.db2.gz XQHUOKYXRAPACW-UHFFFAOYSA-N 0 0 446.138 6.406 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(Br)c2ccccc12 ZINC000002134654 555746991 /nfs/dbraw/zinc/74/69/91/555746991.db2.gz XXAIXAQBLSMNTI-UHFFFAOYSA-N 0 0 426.093 5.894 50 0 IKAARN Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1I ZINC000002135341 555747336 /nfs/dbraw/zinc/74/73/36/555747336.db2.gz QPJBWMDEVUULPZ-UHFFFAOYSA-N 0 0 440.495 5.812 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3Cl)oc2c1 ZINC000002137771 555747524 /nfs/dbraw/zinc/74/75/24/555747524.db2.gz WLWOWUZKHZGXCL-UHFFFAOYSA-N 0 0 441.314 6.436 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3nn(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000002137573 555747593 /nfs/dbraw/zinc/74/75/93/555747593.db2.gz QFLZYWPXNWRRDD-UHFFFAOYSA-N 0 0 449.352 5.733 50 0 IKAARN CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2ccccc2OCc2ccc(F)cc2)C1(C)C ZINC000002138541 555747837 /nfs/dbraw/zinc/74/78/37/555747837.db2.gz XQHGIEPSARXFNV-UIOOFZCWSA-N 0 0 433.523 6.510 50 0 IKAARN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccccc2OCc2ccccc2F)C1(C)C ZINC000002138543 555747840 /nfs/dbraw/zinc/74/78/40/555747840.db2.gz QDWIHOXVIOEMPL-CLJLJLNGSA-N 0 0 433.523 6.510 50 0 IKAARN Cc1cccc(-c2noc(CN3CCC4(C[C@H]4c4nnc(-c5cccc(F)c5)o4)CC3)n2)c1 ZINC000071890591 555747882 /nfs/dbraw/zinc/74/78/82/555747882.db2.gz OQBLNLIECCWNLO-FQEVSTJZSA-N 0 0 445.498 5.004 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCc2ccccc2)sc2c3CCCC2)cc1C ZINC000002143298 555748422 /nfs/dbraw/zinc/74/84/22/555748422.db2.gz LLBCDXKWUVOQNA-UHFFFAOYSA-N 0 0 446.641 6.278 50 0 IKAARN O=S(=O)(c1ccc(Br)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002142853 555748429 /nfs/dbraw/zinc/74/84/29/555748429.db2.gz HLVDOYLWWZAFSS-UHFFFAOYSA-N 0 0 433.167 5.320 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccccc3F)nc3sc(C)c(C)c3c2=O)cc1 ZINC000002143108 555748449 /nfs/dbraw/zinc/74/84/49/555748449.db2.gz PBUGCNAQZDZNIK-UHFFFAOYSA-N 0 0 440.565 5.894 50 0 IKAARN Cc1csc2ncnc(Sc3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)c12 ZINC000002144109 555748776 /nfs/dbraw/zinc/74/87/76/555748776.db2.gz JXTAWSMTEPKQCK-UHFFFAOYSA-N 0 0 445.491 6.422 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3O)nc2c1 ZINC000002145405 555748851 /nfs/dbraw/zinc/74/88/51/555748851.db2.gz BMQXGWCSNPHUTM-UHFFFAOYSA-N 0 0 449.507 5.590 50 0 IKAARN CCn1nc(C)cc1-c1nnc(SCc2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000002150974 555749646 /nfs/dbraw/zinc/74/96/46/555749646.db2.gz UYERGGGQNVKLPM-UHFFFAOYSA-N 0 0 443.498 5.770 50 0 IKAARN CC(C)(C)c1ccc(-c2noc(-c3ccc(Oc4cc(Cl)cc(Cl)c4)o3)n2)cc1 ZINC000002152178 555749668 /nfs/dbraw/zinc/74/96/68/555749668.db2.gz CZLUWCPWGWRGEL-UHFFFAOYSA-N 0 0 429.303 7.393 50 0 IKAARN CCCCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002153119 555750006 /nfs/dbraw/zinc/75/00/06/555750006.db2.gz ZOUYGUQXFSITEO-CQSZACIVSA-N 0 0 441.384 5.452 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](c4ccccc4)C4CCCC4)cc3)sc2c1 ZINC000002155392 555750157 /nfs/dbraw/zinc/75/01/57/555750157.db2.gz VACDVTDJXJHBRM-RUZDIDTESA-N 0 0 426.585 7.184 50 0 IKAARN CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1cccc(Br)c1)CCCC3 ZINC000002157069 555750160 /nfs/dbraw/zinc/75/01/60/555750160.db2.gz CPIPEMWSGZZMHA-UHFFFAOYSA-N 0 0 427.338 6.591 50 0 IKAARN c1ccc2sc(-c3ccc(Oc4ccc(-c5nc6ccccc6s5)cc4)cc3)nc2c1 ZINC000002154345 555750170 /nfs/dbraw/zinc/75/01/70/555750170.db2.gz UVISVJGKNXYRHU-UHFFFAOYSA-N 0 0 436.561 8.032 50 0 IKAARN Cc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(Sc2cccc(C(F)(F)F)c2)n1 ZINC000002153996 555750202 /nfs/dbraw/zinc/75/02/02/555750202.db2.gz SLKQHUOFGHTDTH-UHFFFAOYSA-N 0 0 445.293 7.363 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)c1ccccc1 ZINC000002154472 555750237 /nfs/dbraw/zinc/75/02/37/555750237.db2.gz XUZYGVDMGWTZAV-UHFFFAOYSA-N 0 0 438.961 6.177 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2Nc2ccccc2)cc1 ZINC000002158106 555750539 /nfs/dbraw/zinc/75/05/39/555750539.db2.gz YDPLCGZGXXRWGE-RCCKNPSSSA-N 0 0 432.321 5.415 50 0 IKAARN CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)Cc2cc(CCCCC)ccc2-3)cc1 ZINC000002159184 555750567 /nfs/dbraw/zinc/75/05/67/555750567.db2.gz BNCQQRQHTFCQBE-UHFFFAOYSA-N 0 0 442.599 7.779 50 0 IKAARN FC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccc(Cl)cc4Cl)no3)cs2)cc1 ZINC000002158787 555750617 /nfs/dbraw/zinc/75/06/17/555750617.db2.gz ABJFUYPOVATWJD-UHFFFAOYSA-N 0 0 441.261 7.458 50 0 IKAARN Clc1cccc(OCc2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)c1 ZINC000002158791 555750665 /nfs/dbraw/zinc/75/06/65/555750665.db2.gz DQCOMAOXASEYND-UHFFFAOYSA-N 0 0 437.735 7.004 50 0 IKAARN Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000002161950 555750810 /nfs/dbraw/zinc/75/08/10/555750810.db2.gz CSCBBOQBWAXRMF-UCQKPKSFSA-N 0 0 433.504 5.950 50 0 IKAARN Cc1cc(C(=O)C[C@H](Sc2ccccc2N)c2c(F)cccc2Cl)ccc1Cl ZINC000002161460 555750886 /nfs/dbraw/zinc/75/08/86/555750886.db2.gz VFYJCKJXLAPSDH-NRFANRHFSA-N 0 0 434.363 7.130 50 0 IKAARN Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000002161957 555750926 /nfs/dbraw/zinc/75/09/26/555750926.db2.gz BTSPKFGPZQNVMI-UCQKPKSFSA-N 0 0 433.504 5.950 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000002161637 555750953 /nfs/dbraw/zinc/75/09/53/555750953.db2.gz AVSJHVPHNRBDAL-UHFFFAOYSA-N 0 0 439.298 7.001 50 0 IKAARN CC(C)(C)SCCNc1nc(Oc2ccc(F)cc2)nc(Oc2ccc(F)cc2)n1 ZINC000002162757 555751251 /nfs/dbraw/zinc/75/12/51/555751251.db2.gz HKKQBVJWOGRBIT-UHFFFAOYSA-N 0 0 432.496 5.678 50 0 IKAARN O=C(Oc1c(Cl)cc(Cl)cc1Cl)C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000002168680 555751482 /nfs/dbraw/zinc/75/14/82/555751482.db2.gz GEVPIWPYWJZSPR-UHFFFAOYSA-N 0 0 448.900 6.118 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002170293 555751842 /nfs/dbraw/zinc/75/18/42/555751842.db2.gz FWKLHQHCDHTFDS-UHFFFAOYSA-N 0 0 439.136 6.885 50 0 IKAARN CCCCCOc1ccc(NC(=O)Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000002170506 555751845 /nfs/dbraw/zinc/75/18/45/555751845.db2.gz NKERBBWHZDILCU-UHFFFAOYSA-N 0 0 439.515 5.455 50 0 IKAARN CCOc1ccccc1N(C(=O)C1CCCCC1)c1nc(-c2ccc(C)cc2)c(CC)s1 ZINC000002170859 555752051 /nfs/dbraw/zinc/75/20/51/555752051.db2.gz BAOFYIOCEYVJLB-UHFFFAOYSA-N 0 0 448.632 7.325 50 0 IKAARN CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NCCOc2ccccc2)c1 ZINC000002170961 555752061 /nfs/dbraw/zinc/75/20/61/555752061.db2.gz XFHBRXFCPMKUHV-UHFFFAOYSA-N 0 0 440.952 5.123 50 0 IKAARN CCCCC(=O)N(c1nc(-c2ccc(OCC)cc2)c(CC)s1)c1cccc(F)c1 ZINC000002170792 555752125 /nfs/dbraw/zinc/75/21/25/555752125.db2.gz OIPFPVWZVKYODA-UHFFFAOYSA-N 0 0 426.557 6.765 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(C)cc2)N1c1ccc(N2CCCC2)cc1 ZINC000002177880 555752668 /nfs/dbraw/zinc/75/26/68/555752668.db2.gz KWADJGLMIMVVAH-MUUNZHRXSA-N 0 0 438.575 5.832 50 0 IKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002177494 555752725 /nfs/dbraw/zinc/75/27/25/555752725.db2.gz MVOPESAGXIYHJG-OJVSJSBUSA-N 0 0 436.382 7.111 50 0 IKAARN O=c1c2c3c(sc2nc(SCCc2ccccc2)n1Cc1ccccc1)CCCC3 ZINC000002179082 555753009 /nfs/dbraw/zinc/75/30/09/555753009.db2.gz KAWBACSMOIWKBT-UHFFFAOYSA-N 0 0 432.614 5.720 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cc(Cl)sc1Cl ZINC000002180559 555753280 /nfs/dbraw/zinc/75/32/80/555753280.db2.gz QFXYBPYSQPPMIF-UHFFFAOYSA-N 0 0 447.368 5.729 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)CC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002182405 555753947 /nfs/dbraw/zinc/75/39/47/555753947.db2.gz HAAXJACBYLVXRA-OAHLLOKOSA-N 0 0 428.598 5.899 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000002182391 555753996 /nfs/dbraw/zinc/75/39/96/555753996.db2.gz BRTFFAFGGXZTCI-OLZOCXBDSA-N 0 0 434.989 5.057 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)CC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002182404 555754016 /nfs/dbraw/zinc/75/40/16/555754016.db2.gz HAAXJACBYLVXRA-HNNXBMFYSA-N 0 0 428.598 5.899 50 0 IKAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)C(C)(C)C)C[C@H](C(C)(C)C)CC3)cc1 ZINC000002182415 555754308 /nfs/dbraw/zinc/75/43/08/555754308.db2.gz OUOIJYYPBATRGE-OAHLLOKOSA-N 0 0 442.625 6.145 50 0 IKAARN Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(C)c1 ZINC000002183045 555754341 /nfs/dbraw/zinc/75/43/41/555754341.db2.gz CIUACRJKXRIWAA-UHFFFAOYSA-N 0 0 432.614 6.235 50 0 IKAARN CCC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 ZINC000002183502 555754521 /nfs/dbraw/zinc/75/45/21/555754521.db2.gz PLFJJXVLJSSGHX-IAGOWNOFSA-N 0 0 443.609 5.971 50 0 IKAARN CCC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 ZINC000002183503 555754606 /nfs/dbraw/zinc/75/46/06/555754606.db2.gz PLFJJXVLJSSGHX-SJORKVTESA-N 0 0 443.609 5.971 50 0 IKAARN COC(=O)c1ccc(Oc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000002183222 555754668 /nfs/dbraw/zinc/75/46/68/555754668.db2.gz RPJHQGPPSAJHHE-UHFFFAOYSA-N 0 0 425.271 6.183 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000002183484 555754673 /nfs/dbraw/zinc/75/46/73/555754673.db2.gz WDKDDECAOSRTJM-UHFFFAOYSA-N 0 0 448.613 5.899 50 0 IKAARN O=C(c1ccccc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccccc1 ZINC000002184839 555754899 /nfs/dbraw/zinc/75/48/99/555754899.db2.gz LEEXYEUQCZRDMR-UHFFFAOYSA-N 0 0 431.513 5.347 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccc(C)c4)o3)ccc21 ZINC000002184316 555754906 /nfs/dbraw/zinc/75/49/06/555754906.db2.gz MFJMIILBUCOBNW-UHFFFAOYSA-N 0 0 442.544 5.904 50 0 IKAARN COc1ccc(-c2c(C)c3c(n2C2CCCCC2)[C@H](c2ccccc2)Oc2ccccc2-3)cc1 ZINC000002186359 555755584 /nfs/dbraw/zinc/75/55/84/555755584.db2.gz XHRUYPXOOUKRPZ-HKBQPEDESA-N 0 0 449.594 8.126 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)cc1 ZINC000002188233 555755858 /nfs/dbraw/zinc/75/58/58/555755858.db2.gz BDILBZNXQKSMOJ-UQQQWYQISA-N 0 0 425.528 6.216 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002189102 555756233 /nfs/dbraw/zinc/75/62/33/555756233.db2.gz DIKSQGFTGMDEAC-NDENLUEZSA-N 0 0 437.854 5.411 50 0 IKAARN Cc1cccc2c1nc1c(c2-c2ccccc2)[C@H](c2ccc(Br)cc2)NC1=O ZINC000002190060 555756250 /nfs/dbraw/zinc/75/62/50/555756250.db2.gz UZMVCIQQMHVOFE-QFIPXVFZSA-N 0 0 429.317 5.806 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002189104 555756296 /nfs/dbraw/zinc/75/62/96/555756296.db2.gz VFHCOMWOUPJLTG-STZFKDTASA-N 0 0 433.891 5.662 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3C)[C@@H]2c2ccccc2Cl)cc1C ZINC000002192788 555756481 /nfs/dbraw/zinc/75/64/81/555756481.db2.gz AKBHEZHCQDZOJK-XZOQPEGZSA-N 0 0 426.343 6.454 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3C)[C@H]2c2ccccc2Cl)cc1C ZINC000002192791 555756560 /nfs/dbraw/zinc/75/65/60/555756560.db2.gz AKBHEZHCQDZOJK-PKTZIBPZSA-N 0 0 426.343 6.454 50 0 IKAARN CCc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2S1 ZINC000002194900 555756802 /nfs/dbraw/zinc/75/68/02/555756802.db2.gz YJBPAXNOMNBLQI-WUFINQPMSA-N 0 0 440.612 6.455 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCc4ccccc4)n(C4CCCCC4)c(=O)c32)CO1 ZINC000002196729 555757155 /nfs/dbraw/zinc/75/71/55/555757155.db2.gz FGNRBVIQLSPMLV-UHFFFAOYSA-N 0 0 440.634 6.107 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 ZINC000002197129 555757176 /nfs/dbraw/zinc/75/71/76/555757176.db2.gz VMLQJOKCDGXMKZ-UHFFFAOYSA-N 0 0 428.623 5.496 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 ZINC000002199697 555757213 /nfs/dbraw/zinc/75/72/13/555757213.db2.gz IFEQCDNOAPRHOE-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000002202153 555757543 /nfs/dbraw/zinc/75/75/43/555757543.db2.gz CHVXDBIRJLYLDZ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 ZINC000002206553 555757690 /nfs/dbraw/zinc/75/76/90/555757690.db2.gz DFSBCVPZKXVESL-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)Nc4cccc(Cl)c4Cl)c(N)c3cc2C(=O)C1 ZINC000002205987 555757766 /nfs/dbraw/zinc/75/77/66/555757766.db2.gz DTQWRVHPVFJBGH-UHFFFAOYSA-N 0 0 434.348 5.593 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccc(Cl)c2)cc1 ZINC000002205609 555757785 /nfs/dbraw/zinc/75/77/85/555757785.db2.gz COEPTWNHZTZCGQ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C ZINC000002210245 555758282 /nfs/dbraw/zinc/75/82/82/555758282.db2.gz CXJVLCSTLMKDOX-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1ccccc1-c1nnc(SCc2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000002211866 555758296 /nfs/dbraw/zinc/75/82/96/555758296.db2.gz AMNOIAVHDXTZCM-UHFFFAOYSA-N 0 0 429.589 6.533 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1sc2ccccc2c1Cl ZINC000002211471 555758308 /nfs/dbraw/zinc/75/83/08/555758308.db2.gz GVGCSMSKTIYIAM-UHFFFAOYSA-N 0 0 441.339 6.713 50 0 IKAARN Nc1c(Br)cc2oc(-c3cc(F)c(F)cc3Cl)nc2c1Br ZINC000002210705 555758343 /nfs/dbraw/zinc/75/83/43/555758343.db2.gz AOBUKNAXWYEKDT-UHFFFAOYSA-N 0 0 438.453 5.534 50 0 IKAARN COC(=O)c1cc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c(C)o1 ZINC000002214417 555758692 /nfs/dbraw/zinc/75/86/92/555758692.db2.gz JRRPQUYFWFFBQQ-UHFFFAOYSA-N 0 0 432.472 5.268 50 0 IKAARN Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000002215641 555758704 /nfs/dbraw/zinc/75/87/04/555758704.db2.gz NFZKQYIFALZBDR-UHFFFAOYSA-N 0 0 442.849 6.061 50 0 IKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Oc3ccccc3)cc1)C(C)(C)N2 ZINC000002219035 555759010 /nfs/dbraw/zinc/75/90/10/555759010.db2.gz VCMQONQMVOVEDO-LCUIJRPUSA-N 0 0 446.597 7.171 50 0 IKAARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nn12 ZINC000002219706 555759327 /nfs/dbraw/zinc/75/93/27/555759327.db2.gz ACNKWXDVXVEMDQ-UHFFFAOYSA-N 0 0 449.923 5.635 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000002219624 555759333 /nfs/dbraw/zinc/75/93/33/555759333.db2.gz LHUVLFOXUGTVMB-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccccn2)cc1 ZINC000002224771 555759517 /nfs/dbraw/zinc/75/95/17/555759517.db2.gz VLMBOIFAKGPDPN-UHFFFAOYSA-N 0 0 443.576 5.294 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000002222862 555759533 /nfs/dbraw/zinc/75/95/33/555759533.db2.gz DVMARAUPCMXWAQ-UHFFFAOYSA-N 0 0 443.484 5.382 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccccn2)cc1 ZINC000002228701 555759897 /nfs/dbraw/zinc/75/98/97/555759897.db2.gz AMXONQFYUVQPRS-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1F ZINC000002230990 555760303 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CCCCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 ZINC000002279508 555764998 /nfs/dbraw/zinc/76/49/98/555764998.db2.gz WJSRJCTVKRJVNH-UHFFFAOYSA-N 0 0 426.607 5.502 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002283121 555765321 /nfs/dbraw/zinc/76/53/21/555765321.db2.gz NMRLHRPHQLTQTC-AWEZNQCLSA-N 0 0 446.638 5.893 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 ZINC000002282795 555765324 /nfs/dbraw/zinc/76/53/24/555765324.db2.gz NXCNIFHWVVFSNM-UHFFFAOYSA-N 0 0 428.623 5.444 50 0 IKAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(Br)cc1)c1c[nH]c2ccccc21 ZINC000002290378 555765923 /nfs/dbraw/zinc/76/59/23/555765923.db2.gz METXACFDJKABQA-LJQANCHMSA-N 0 0 437.274 6.307 50 0 IKAARN O=C(Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O)c1ccc(Cl)cc1 ZINC000002293980 555766253 /nfs/dbraw/zinc/76/62/53/555766253.db2.gz GZMHJTRHVYEQLG-UYRXBGFRSA-N 0 0 438.266 5.557 50 0 IKAARN Clc1ccc(Cl)c(Nc2nc(Cl)nc(Nc3cc(Cl)ccc3Cl)n2)c1 ZINC000002294286 555766294 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O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002315602 555767915 /nfs/dbraw/zinc/76/79/15/555767915.db2.gz XIWGRZVYCRFDBY-UHFFFAOYSA-N 0 0 435.738 6.759 50 0 IKAARN CC(C)c1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCCCCC3)n2)cc1 ZINC000002317359 555768200 /nfs/dbraw/zinc/76/82/00/555768200.db2.gz YACURXYKOZKQRI-UHFFFAOYSA-N 0 0 444.627 6.986 50 0 IKAARN Cc1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c(=O)c1Oc1ccccc1 ZINC000002317256 555768247 /nfs/dbraw/zinc/76/82/47/555768247.db2.gz ZHJZBWNVIDVTOC-UHFFFAOYSA-N 0 0 448.343 6.168 50 0 IKAARN Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000002323921 555768646 /nfs/dbraw/zinc/76/86/46/555768646.db2.gz YOHPUTXSTGQIIV-UHFFFAOYSA-N 0 0 434.952 5.533 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccccn2)cc1 ZINC000002324829 555768650 /nfs/dbraw/zinc/76/86/50/555768650.db2.gz PSCRUPKMEDWOEX-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN COc1cccc(N=C2C[C@@H](c3cccc4ccccc43)N(c3cccc(OC)c3)C2=O)c1 ZINC000002329366 555769249 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Clc1ccc2nc(SCc3ccc(Br)cc3)nc(-c3ccccc3)c2c1 ZINC000002336553 555769847 /nfs/dbraw/zinc/76/98/47/555769847.db2.gz ZOXHXXHFOHCFPJ-UHFFFAOYSA-N 0 0 441.781 7.005 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)n(C)c(=O)c2c1C ZINC000002337170 555769958 /nfs/dbraw/zinc/76/99/58/555769958.db2.gz YVTXCDYWKWZSDT-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002338643 555769964 /nfs/dbraw/zinc/76/99/64/555769964.db2.gz OSAKAMGNRDNCDX-UHFFFAOYSA-N 0 0 441.343 5.611 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 ZINC000002341594 555770153 /nfs/dbraw/zinc/77/01/53/555770153.db2.gz JMTDTRWFRUABED-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1 ZINC000002342106 555770242 /nfs/dbraw/zinc/77/02/42/555770242.db2.gz WMLUXBBPLCISSP-UHFFFAOYSA-N 0 0 444.560 5.236 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000002346110 555770466 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0 IKAARN COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000002353965 555771515 /nfs/dbraw/zinc/77/15/15/555771515.db2.gz YQNOJXYVZLISTE-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(NC(=O)CC)cc3s2)cc1 ZINC000002366606 555772615 /nfs/dbraw/zinc/77/26/15/555772615.db2.gz XJAQAGIFAIZVAZ-ZDUSSCGKSA-N 0 0 429.567 5.163 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000002367888 555772931 /nfs/dbraw/zinc/77/29/31/555772931.db2.gz BWZLVBGEWCRRNJ-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN Cc1ccc(C(=O)CSc2nc3c4c(sc3c(=O)n2-c2ccccc2)CCCC4)cc1 ZINC000002385233 555774597 /nfs/dbraw/zinc/77/45/97/555774597.db2.gz WXKPFBHVGABMKG-UHFFFAOYSA-N 0 0 446.597 5.609 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002385468 555774712 /nfs/dbraw/zinc/77/47/12/555774712.db2.gz KCHIBBWZMIBWJN-UHFFFAOYSA-N 0 0 442.224 6.844 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3cc(C)ccc3C)c3cccc(C)c3n2)cc1 ZINC000002388882 555774901 /nfs/dbraw/zinc/77/49/01/555774901.db2.gz KHUHNAZHUZUADC-UHFFFAOYSA-N 0 0 439.511 5.875 50 0 IKAARN Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2C=O)cc1 ZINC000002388265 555774950 /nfs/dbraw/zinc/77/49/50/555774950.db2.gz IYRQYBHYPDIBIZ-UHFFFAOYSA-N 0 0 433.396 5.747 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc(Cl)c(Cl)c1 ZINC000002390009 555775146 /nfs/dbraw/zinc/77/51/46/555775146.db2.gz FOBLQZJSHUHKBQ-UHFFFAOYSA-N 0 0 449.319 5.217 50 0 IKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)Nc1cccc(F)c1 ZINC000002390682 555775219 /nfs/dbraw/zinc/77/52/19/555775219.db2.gz SBXBAAPMJYCXQW-UHFFFAOYSA-N 0 0 441.578 5.854 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1cc(Cl)cc(Cl)c1 ZINC000002396092 555775502 /nfs/dbraw/zinc/77/55/02/555775502.db2.gz RCIHYQNZYUHBOK-UHFFFAOYSA-N 0 0 449.319 5.217 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1nccs1 ZINC000002399795 555775885 /nfs/dbraw/zinc/77/58/85/555775885.db2.gz LLIKHGLCCWWLCN-INIZCTEOSA-N 0 0 429.284 5.306 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3Cl)n2)cc1OC ZINC000002402520 555776088 /nfs/dbraw/zinc/77/60/88/555776088.db2.gz DSDAHTQBZHFOFG-UHFFFAOYSA-N 0 0 435.867 5.327 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSC(=S)N4CCCCC4)cc3)sc2c1 ZINC000002408502 555776460 /nfs/dbraw/zinc/77/64/60/555776460.db2.gz HRNGXIZVHVDSKQ-UHFFFAOYSA-N 0 0 441.647 5.714 50 0 IKAARN CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002418173 555777384 /nfs/dbraw/zinc/77/73/84/555777384.db2.gz WCWGAKQISRQMAT-IBGZPJMESA-N 0 0 436.920 5.776 50 0 IKAARN COc1ccccc1-n1sc2c(c1=S)-c1cc(C)c(C)c3c1N(C(=O)C3=O)C2(C)C ZINC000002419865 555777455 /nfs/dbraw/zinc/77/74/55/555777455.db2.gz DERUPLVMNJAENX-UHFFFAOYSA-N 0 0 436.558 5.339 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)c4ccc(Cl)cc4)ccc23)cc1 ZINC000002432451 555778263 /nfs/dbraw/zinc/77/82/63/555778263.db2.gz LNGNWUPPUQZVNX-UHFFFAOYSA-N 0 0 434.875 5.692 50 0 IKAARN COC(=O)c1ccc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002431662 555778338 /nfs/dbraw/zinc/77/83/38/555778338.db2.gz MSBBVWAROAQDFC-UHFFFAOYSA-N 0 0 428.484 5.366 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC000002435823 555778736 /nfs/dbraw/zinc/77/87/36/555778736.db2.gz ONSDAUXCDIKZDH-SFHVURJKSA-N 0 0 443.576 5.574 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000002441627 555779409 /nfs/dbraw/zinc/77/94/09/555779409.db2.gz CMFHVJPJUFEJCG-UHFFFAOYSA-N 0 0 434.590 5.267 50 0 IKAARN COc1ccc(-c2nnc(SCc3cccc(OC)c3)n2-c2ccc(OC)cc2)cc1 ZINC000002443308 555779635 /nfs/dbraw/zinc/77/96/35/555779635.db2.gz HHOGKVVFWKYCPU-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002443173 555779736 /nfs/dbraw/zinc/77/97/36/555779736.db2.gz YJMAIQPMRDYEGM-UHFFFAOYSA-N 0 0 429.589 6.391 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 ZINC000002446578 555780183 /nfs/dbraw/zinc/78/01/83/555780183.db2.gz FCFWNGIDYXZNGD-HNNXBMFYSA-N 0 0 428.989 5.863 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccs2)cc1 ZINC000002446007 555780296 /nfs/dbraw/zinc/78/02/96/555780296.db2.gz ZZFKAWCZYDEVLV-UHFFFAOYSA-N 0 0 434.590 5.652 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccco1 ZINC000002447047 555780528 /nfs/dbraw/zinc/78/05/28/555780528.db2.gz IWVUQEYTERBKST-UHFFFAOYSA-N 0 0 434.323 6.325 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000002447033 555780532 /nfs/dbraw/zinc/78/05/32/555780532.db2.gz FVNNBHWJGQTVAQ-UHFFFAOYSA-N 0 0 448.979 5.881 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2cccnc2)cc1 ZINC000002447637 555780742 /nfs/dbraw/zinc/78/07/42/555780742.db2.gz MAAVJAUFFMHPRH-UHFFFAOYSA-N 0 0 436.540 5.766 50 0 IKAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C ZINC000002448247 555780863 /nfs/dbraw/zinc/78/08/63/555780863.db2.gz BUSIOGJCLHEMGK-UHFFFAOYSA-N 0 0 438.597 5.214 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002449410 555781106 /nfs/dbraw/zinc/78/11/06/555781106.db2.gz ILGBBASQWKHZMX-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2C)cc1 ZINC000002449254 555781141 /nfs/dbraw/zinc/78/11/41/555781141.db2.gz DVOTXUDIPKHFDO-UHFFFAOYSA-N 0 0 440.878 5.194 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000002449198 555781158 /nfs/dbraw/zinc/78/11/58/555781158.db2.gz GKGUMTXMWPDLFQ-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccco2)cc1 ZINC000002450101 555781416 /nfs/dbraw/zinc/78/14/16/555781416.db2.gz RXYZZNWNBLLCJP-UHFFFAOYSA-N 0 0 425.897 5.164 50 0 IKAARN Clc1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 ZINC000002450337 555781427 /nfs/dbraw/zinc/78/14/27/555781427.db2.gz RKXYBEAWHSRDFG-UHFFFAOYSA-N 0 0 446.790 7.187 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1C ZINC000002450291 555781433 /nfs/dbraw/zinc/78/14/33/555781433.db2.gz QGSGROPCKBWPHC-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccco2)cc1 ZINC000002453757 555782273 /nfs/dbraw/zinc/78/22/73/555782273.db2.gz WQVOTFZZDFOBMS-UHFFFAOYSA-N 0 0 433.577 6.516 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2ccco2)cc1 ZINC000002454263 555782520 /nfs/dbraw/zinc/78/25/20/555782520.db2.gz LXHISCRHMKNMHQ-UHFFFAOYSA-N 0 0 425.513 5.964 50 0 IKAARN Clc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2cccnc2)cc1 ZINC000002454165 555782536 /nfs/dbraw/zinc/78/25/36/555782536.db2.gz DDTWRNXICGIIBI-UHFFFAOYSA-N 0 0 447.778 6.582 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002454113 555782541 /nfs/dbraw/zinc/78/25/41/555782541.db2.gz GDPNHGGUVNRYAM-UHFFFAOYSA-N 0 0 434.008 7.178 50 0 IKAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 ZINC000002454319 555782619 /nfs/dbraw/zinc/78/26/19/555782619.db2.gz SNRZDIVFLDMGSD-UHFFFAOYSA-N 0 0 435.524 5.595 50 0 IKAARN O=C(c1cccc2ccccc21)N(Cc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000002464407 555783217 /nfs/dbraw/zinc/78/32/17/555783217.db2.gz XEHBONJRHPNGDE-UHFFFAOYSA-N 0 0 440.757 7.647 50 0 IKAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000002487938 555783915 /nfs/dbraw/zinc/78/39/15/555783915.db2.gz SIFZMSXCJIDILV-DQEYMECFSA-N 0 0 426.520 5.402 50 0 IKAARN COP(=O)(OC)[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000002495565 555784066 /nfs/dbraw/zinc/78/40/66/555784066.db2.gz MUNFYJKZPCJMFW-HNNXBMFYSA-N 0 0 439.073 6.353 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1 ZINC000002497202 555784521 /nfs/dbraw/zinc/78/45/21/555784521.db2.gz XFVCHWBOQWYFTR-UHFFFAOYSA-N 0 0 435.501 5.305 50 0 IKAARN O=C(C[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000002507261 555785168 /nfs/dbraw/zinc/78/51/68/555785168.db2.gz FIGZYBNHRIZPHX-MOPGFXCFSA-N 0 0 437.794 7.543 50 0 IKAARN CCOC(=O)c1c[nH]c(Cc2[nH]cc(C(=O)OCC)c2-c2ccccc2)c1-c1ccccc1 ZINC000002519448 555785607 /nfs/dbraw/zinc/78/56/07/555785607.db2.gz MHUZJGLDGNWXKU-UHFFFAOYSA-N 0 0 442.515 5.621 50 0 IKAARN O=C(c1cc(C(=O)c2ccc3ccccc3c2)n2cnc3ccccc3c12)c1ccccc1 ZINC000002529409 555785709 /nfs/dbraw/zinc/78/57/09/555785709.db2.gz LOZZKOSGOXNTFK-UHFFFAOYSA-N 0 0 426.475 6.103 50 0 IKAARN CCOC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n2cnc(-c3ccco3)cc12 ZINC000002529480 555785748 /nfs/dbraw/zinc/78/57/48/555785748.db2.gz RBABHJKHYVDURL-UHFFFAOYSA-N 0 0 443.381 5.042 50 0 IKAARN CCOC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n2ccc3ccccc3c12 ZINC000002529518 555786186 /nfs/dbraw/zinc/78/61/86/555786186.db2.gz HMNKMHOUDGGKTR-UHFFFAOYSA-N 0 0 426.394 5.540 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 ZINC000002541785 555786347 /nfs/dbraw/zinc/78/63/47/555786347.db2.gz BWAJXCFVOFBIHP-FGZHOGPDSA-N 0 0 448.935 5.214 50 0 IKAARN c1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000002539464 555786421 /nfs/dbraw/zinc/78/64/21/555786421.db2.gz YGLVWOUNCXBPJF-UHFFFAOYSA-N 0 0 446.593 9.006 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000002557761 555787309 /nfs/dbraw/zinc/78/73/09/555787309.db2.gz QESKAWJMZUOGIY-UHFFFAOYSA-N 0 0 447.105 6.407 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1CCCC2 ZINC000002549760 555787310 /nfs/dbraw/zinc/78/73/10/555787310.db2.gz JEDSJWZNWSTCFU-UHFFFAOYSA-N 0 0 444.500 5.511 50 0 IKAARN CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000002560057 555787574 /nfs/dbraw/zinc/78/75/74/555787574.db2.gz NQVVUJZJBKATBB-HNNXBMFYSA-N 0 0 426.340 5.001 50 0 IKAARN CC(C)(C)OC(=O)n1cc(I)c2ccc(OCc3ccccc3)cc21 ZINC000002563789 555787855 /nfs/dbraw/zinc/78/78/55/555787855.db2.gz WSQPBBGPYIEBLQ-UHFFFAOYSA-N 0 0 449.288 5.608 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccc(C)cc32)cc1 ZINC000002577085 555788177 /nfs/dbraw/zinc/78/81/77/555788177.db2.gz DISUACSUHKIZIM-UHFFFAOYSA-N 0 0 437.539 6.682 50 0 IKAARN O=c1oc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000002576849 555788312 /nfs/dbraw/zinc/78/83/12/555788312.db2.gz SQTXCKITDMTEHL-UHFFFAOYSA-N 0 0 446.127 7.196 50 0 IKAARN O=c1oc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl ZINC000002576877 555788317 /nfs/dbraw/zinc/78/83/17/555788317.db2.gz QENIHHZLQLQSLN-UHFFFAOYSA-N 0 0 436.121 7.741 50 0 IKAARN Cc1c2cc(Cl)cc(Br)c2oc(=O)c1-c1ccc(Br)cc1 ZINC000002581712 555788548 /nfs/dbraw/zinc/78/85/48/555788548.db2.gz OASZOVWWFAPOPN-UHFFFAOYSA-N 0 0 428.507 5.947 50 0 IKAARN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000002589404 555788948 /nfs/dbraw/zinc/78/89/48/555788948.db2.gz CSWPGJTXCVDOCH-UHFFFAOYSA-N 0 0 429.526 5.836 50 0 IKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000002589478 555789216 /nfs/dbraw/zinc/78/92/16/555789216.db2.gz UFKACIBEKZJPMK-RUZDIDTESA-N 0 0 441.556 6.362 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000002594221 555789459 /nfs/dbraw/zinc/78/94/59/555789459.db2.gz USVVBVPSCLJFMQ-UHFFFAOYSA-N 0 0 449.542 5.730 50 0 IKAARN O=C(NCCc1ccccc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002639342 555790725 /nfs/dbraw/zinc/79/07/25/555790725.db2.gz CLUCMQKZIRSPFW-UHFFFAOYSA-N 0 0 431.333 5.637 50 0 IKAARN CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667464 555791401 /nfs/dbraw/zinc/79/14/01/555791401.db2.gz MYMRHCZAYUWDBB-DCFHFQCYSA-N 0 0 446.566 5.265 50 0 IKAARN CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667465 555791467 /nfs/dbraw/zinc/79/14/67/555791467.db2.gz MYMRHCZAYUWDBB-NFQMXDRXSA-N 0 0 446.566 5.265 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3cccc(C)c3)c2Oc2ccccc2)cc1 ZINC000034672298 555793367 /nfs/dbraw/zinc/79/33/67/555793367.db2.gz LUUGINMRNFSVRB-UHFFFAOYSA-N 0 0 441.531 5.861 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)Nc1cccc(C)c1 ZINC000034672407 555793755 /nfs/dbraw/zinc/79/37/55/555793755.db2.gz ZYJIVYRVJLHILV-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN O=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046159024 555794167 /nfs/dbraw/zinc/79/41/67/555794167.db2.gz UEAPSAURBMXJMJ-UHFFFAOYSA-N 0 0 448.807 5.543 50 0 IKAARN CC1CCN(c2nc3c(c(Oc4ccccc4)n2)CN(C(=O)Nc2ccccc2)CC3)CC1 ZINC000034676815 555794743 /nfs/dbraw/zinc/79/47/43/555794743.db2.gz VULFETOTQGSZIT-UHFFFAOYSA-N 0 0 443.551 5.095 50 0 IKAARN CCCCOC(=O)c1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ZINC000002678222 555797675 /nfs/dbraw/zinc/79/76/75/555797675.db2.gz PKIRGGLEENEKHE-QGZVFWFLSA-N 0 0 449.787 5.243 50 0 IKAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000002678320 555798042 /nfs/dbraw/zinc/79/80/42/555798042.db2.gz GPHGLGGKFMGFHH-INIZCTEOSA-N 0 0 438.852 5.373 50 0 IKAARN Cc1cccc(C(=O)N2CCc3nc(N4CCC(C)CC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034679068 555798429 /nfs/dbraw/zinc/79/84/29/555798429.db2.gz VRZBXYBOSSUELG-UHFFFAOYSA-N 0 0 442.563 5.012 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c(C)c1 ZINC000002684160 555798455 /nfs/dbraw/zinc/79/84/55/555798455.db2.gz YYOHZLPVRJPDOO-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccccc1C(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000002688120 555799014 /nfs/dbraw/zinc/79/90/14/555799014.db2.gz VZXRKCBCICEQIF-HNNXBMFYSA-N 0 0 436.564 5.296 50 0 IKAARN Cc1ccccc1C(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002688117 555799056 /nfs/dbraw/zinc/79/90/56/555799056.db2.gz VAOILYDUTWKLMA-HNNXBMFYSA-N 0 0 425.665 5.552 50 0 IKAARN CC(C)(C)c1ccc2c(c1)O[C@](NC(=O)Oc1ccccc1)(C(Cl)(Cl)Cl)O2 ZINC000002689702 555799097 /nfs/dbraw/zinc/79/90/97/555799097.db2.gz PSCOHSMNDVHKGK-IBGZPJMESA-N 0 0 430.715 5.568 50 0 IKAARN Cc1ccccc1C(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002688119 555799112 /nfs/dbraw/zinc/79/91/12/555799112.db2.gz VAOILYDUTWKLMA-OAHLLOKOSA-N 0 0 425.665 5.552 50 0 IKAARN Cc1ccccc1C(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000002688122 555799130 /nfs/dbraw/zinc/79/91/30/555799130.db2.gz VZXRKCBCICEQIF-OAHLLOKOSA-N 0 0 436.564 5.296 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1c(C)cc(C)cc1C ZINC000002707349 555801085 /nfs/dbraw/zinc/80/10/85/555801085.db2.gz DOOAHEXFOCRQBH-UHFFFAOYSA-N 0 0 437.561 5.843 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(Br)o2)c1Sc1ccccc1 ZINC000002718549 555802036 /nfs/dbraw/zinc/80/20/36/555802036.db2.gz XAFSNMGPXHHNNV-UHFFFAOYSA-N 0 0 435.343 5.672 50 0 IKAARN CCOC(=O)c1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000002729132 555803377 /nfs/dbraw/zinc/80/33/77/555803377.db2.gz FMDDXHKAJPALHQ-GOSISDBHSA-N 0 0 447.600 6.210 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(=O)OC)C1 ZINC000002729136 555803441 /nfs/dbraw/zinc/80/34/41/555803441.db2.gz CAFDWOJRZLBJBF-HNNXBMFYSA-N 0 0 445.581 5.345 50 0 IKAARN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)CCO2)cc1 ZINC000034691261 555803744 /nfs/dbraw/zinc/80/37/44/555803744.db2.gz XCDRPXDVRMRFFG-QHCPKHFHSA-N 0 0 448.529 5.013 50 0 IKAARN CCCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCCC2 ZINC000002734081 555805653 /nfs/dbraw/zinc/80/56/53/555805653.db2.gz WQTXTEFZBXSMFN-UHFFFAOYSA-N 0 0 437.561 5.755 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000002736583 555806191 /nfs/dbraw/zinc/80/61/91/555806191.db2.gz FNWAFRRFPGKQJV-UHFFFAOYSA-N 0 0 436.558 5.989 50 0 IKAARN CCC[C@@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(N)=O)C1 ZINC000002736764 555806490 /nfs/dbraw/zinc/80/64/90/555806490.db2.gz SXAIYVQRUSCHFC-OAHLLOKOSA-N 0 0 446.572 5.628 50 0 IKAARN CN(C)c1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000002736956 555806536 /nfs/dbraw/zinc/80/65/36/555806536.db2.gz KVEANEWMSVHOBM-UHFFFAOYSA-N 0 0 426.307 5.046 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002737683 555806804 /nfs/dbraw/zinc/80/68/04/555806804.db2.gz AHSLCMGRZBPOOW-UHFFFAOYSA-N 0 0 437.724 6.570 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002737811 555806830 /nfs/dbraw/zinc/80/68/30/555806830.db2.gz UJXUJCXECMRXTB-JTQLQIEISA-N 0 0 427.740 6.176 50 0 IKAARN CCc1ccccc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002737567 555806899 /nfs/dbraw/zinc/80/68/99/555806899.db2.gz CTVAFCGCWWORIP-UHFFFAOYSA-N 0 0 431.333 6.479 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc3n2)c(C)c1 ZINC000002739703 555807154 /nfs/dbraw/zinc/80/71/54/555807154.db2.gz USOKQRMUPYMTDV-UHFFFAOYSA-N 0 0 440.631 7.626 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)oc2c(C)c1 ZINC000002741659 555807343 /nfs/dbraw/zinc/80/73/43/555807343.db2.gz JNUBQXARXGLPKS-UHFFFAOYSA-N 0 0 441.314 6.436 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 ZINC000002740660 555807370 /nfs/dbraw/zinc/80/73/70/555807370.db2.gz JTHBIGPIJAUMNX-UHFFFAOYSA-N 0 0 448.009 6.704 50 0 IKAARN O=C(COc1c(F)c(F)cc(F)c1F)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002742496 555807617 /nfs/dbraw/zinc/80/76/17/555807617.db2.gz WOSASNQFQBYMJV-UHFFFAOYSA-N 0 0 432.398 5.537 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 ZINC000002742947 555807695 /nfs/dbraw/zinc/80/76/95/555807695.db2.gz ARAXHXVCKSWEOP-UHFFFAOYSA-N 0 0 434.989 5.266 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@H](CC)C2 ZINC000002744812 555808256 /nfs/dbraw/zinc/80/82/56/555808256.db2.gz NBXPQDNCBMZNRV-QMMMGPOBSA-N 0 0 447.425 5.388 50 0 IKAARN NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002744761 555808338 /nfs/dbraw/zinc/80/83/38/555808338.db2.gz CJNFINJEOCUFMV-UHFFFAOYSA-N 0 0 446.304 5.016 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)c3ccccc3n2)cc1 ZINC000002745158 555808548 /nfs/dbraw/zinc/80/85/48/555808548.db2.gz UULFHRAJCMUDSX-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2ccccc2Cc2ccccc2)C1=O ZINC000034696014 555810294 /nfs/dbraw/zinc/81/02/94/555810294.db2.gz AVUMTUKVYVAOMY-OAQYLSRUSA-N 0 0 438.449 5.288 50 0 IKAARN CCCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)Nc3ccccc3OC)nc21 ZINC000002751036 555810347 /nfs/dbraw/zinc/81/03/47/555810347.db2.gz QZSBBSNBMDVPHQ-HXUWFJFHSA-N 0 0 449.580 5.298 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O ZINC000034696016 555810384 /nfs/dbraw/zinc/81/03/84/555810384.db2.gz AVUMTUKVYVAOMY-NRFANRHFSA-N 0 0 438.449 5.288 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000002753088 555810577 /nfs/dbraw/zinc/81/05/77/555810577.db2.gz AKPLCGAHGOFCHF-UHFFFAOYSA-N 0 0 430.529 6.138 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 ZINC000002752780 555810583 /nfs/dbraw/zinc/81/05/83/555810583.db2.gz JRSCQLSAFHSFPT-UHFFFAOYSA-N 0 0 426.365 6.143 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccc2ccccc2c1 ZINC000002752941 555810587 /nfs/dbraw/zinc/81/05/87/555810587.db2.gz CRKGOQCMKCWGCA-UHFFFAOYSA-N 0 0 449.503 5.902 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002752574 555810630 /nfs/dbraw/zinc/81/06/30/555810630.db2.gz XEJIEYISVJEMNJ-UHFFFAOYSA-N 0 0 445.360 7.040 50 0 IKAARN CCCCOc1c(Cl)cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002753065 555810643 /nfs/dbraw/zinc/81/06/43/555810643.db2.gz JHNHBXHNVLJYJV-JCMHNJIXSA-N 0 0 449.934 6.415 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c(C(N)=O)c1C ZINC000002754473 555810874 /nfs/dbraw/zinc/81/08/74/555810874.db2.gz XIFNHRHTBPLAMR-UHFFFAOYSA-N 0 0 435.936 5.585 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)c(C)c1Br ZINC000002754804 555810943 /nfs/dbraw/zinc/81/09/43/555810943.db2.gz CNKLNIRYNYRLGG-UHFFFAOYSA-N 0 0 442.235 5.175 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)COc1ccccc1Cl ZINC000002753386 555810959 /nfs/dbraw/zinc/81/09/59/555810959.db2.gz QCFFUJTZFHVVCL-UHFFFAOYSA-N 0 0 438.742 5.526 50 0 IKAARN CCCOc1cccc(-c2cc(C(=O)Nc3nc(C(C)(C)C)cs3)c3ccccc3n2)c1 ZINC000002758459 555811747 /nfs/dbraw/zinc/81/17/47/555811747.db2.gz HEFGPJOMZCSEBQ-UHFFFAOYSA-N 0 0 445.588 6.697 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)c(C)s3)o2)c(C)c1Cl ZINC000002760357 555812068 /nfs/dbraw/zinc/81/20/68/555812068.db2.gz IKVSZPKSFZDENE-UHFFFAOYSA-N 0 0 440.956 5.787 50 0 IKAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000034680005 555812814 /nfs/dbraw/zinc/81/28/14/555812814.db2.gz RSPXJVXOKNKZAC-DTQAZKPQSA-N 0 0 430.523 5.141 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CCSCCC(=O)Nc1cccc(Cl)c1C ZINC000002765927 555814043 /nfs/dbraw/zinc/81/40/43/555814043.db2.gz AWFOZWHBNGXBNN-UHFFFAOYSA-N 0 0 425.381 5.701 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccccc4C(C)(C)C)c3n2)cc1 ZINC000002770300 555815351 /nfs/dbraw/zinc/81/53/51/555815351.db2.gz SLSVJOOEEKYZBC-UHFFFAOYSA-N 0 0 434.490 6.192 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 ZINC000002779469 555818791 /nfs/dbraw/zinc/81/87/91/555818791.db2.gz XFXRXMYKIGPFHG-UHFFFAOYSA-N 0 0 433.982 6.232 50 0 IKAARN O=C(COc1ccc(Cl)cc1Br)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002842835 555836430 /nfs/dbraw/zinc/83/64/30/555836430.db2.gz QKJFGTINGXGICA-UHFFFAOYSA-N 0 0 443.939 6.080 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[C@@H](C)C2 ZINC000002779525 555819040 /nfs/dbraw/zinc/81/90/40/555819040.db2.gz IKMNQVMWGGVNPW-GFCCVEGCSA-N 0 0 436.371 5.453 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[C@H](C)C2 ZINC000002779524 555819093 /nfs/dbraw/zinc/81/90/93/555819093.db2.gz IKMNQVMWGGVNPW-LBPRGKRZSA-N 0 0 436.371 5.453 50 0 IKAARN CCCCc1ccc(-c2cc(C(=O)NC(C)C)c3cc(Br)ccc3n2)cc1 ZINC000002789354 555821310 /nfs/dbraw/zinc/82/13/10/555821310.db2.gz AANKPWNVYJNMSM-UHFFFAOYSA-N 0 0 425.370 6.145 50 0 IKAARN COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000034706392 555821549 /nfs/dbraw/zinc/82/15/49/555821549.db2.gz AHMDNCBZDJXSFM-UHFFFAOYSA-N 0 0 438.409 5.214 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000002799968 555824122 /nfs/dbraw/zinc/82/41/22/555824122.db2.gz BEGOAVVGNIYTMM-CQSZACIVSA-N 0 0 431.483 5.844 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3ccc(OCc4cccc(Cl)c4)cc3)n2)c1 ZINC000034711841 555824807 /nfs/dbraw/zinc/82/48/07/555824807.db2.gz UVQLAYTZFWJAAE-UHFFFAOYSA-N 0 0 434.948 6.603 50 0 IKAARN CC(C)CNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000034712039 555825149 /nfs/dbraw/zinc/82/51/49/555825149.db2.gz LTDOKBCQXYNOON-UHFFFAOYSA-N 0 0 435.376 6.082 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1 ZINC000034711999 555825160 /nfs/dbraw/zinc/82/51/60/555825160.db2.gz YCSGJQAWCBBQFW-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)ccc1OCc1cccc(F)c1 ZINC000034712385 555825514 /nfs/dbraw/zinc/82/55/14/555825514.db2.gz KMRICXAAHCBXDR-UHFFFAOYSA-N 0 0 448.519 6.098 50 0 IKAARN COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000034712516 555825831 /nfs/dbraw/zinc/82/58/31/555825831.db2.gz GWPHFIXLPIBYTH-UHFFFAOYSA-N 0 0 449.359 5.597 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3cccc(OCc4ccc(Cl)cc4)c3)n2)cc1 ZINC000034712956 555826087 /nfs/dbraw/zinc/82/60/87/555826087.db2.gz NGLFGTCPZQPXEM-UHFFFAOYSA-N 0 0 434.948 6.603 50 0 IKAARN COCCNC(=O)c1csc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000034712988 555826127 /nfs/dbraw/zinc/82/61/27/555826127.db2.gz CNBCIGNADCUROV-UHFFFAOYSA-N 0 0 437.348 5.072 50 0 IKAARN O=C(c1csc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)n1)N1CCCC1 ZINC000034712935 555826134 /nfs/dbraw/zinc/82/61/34/555826134.db2.gz LYGKCXDPWZVHQA-UHFFFAOYSA-N 0 0 432.467 5.644 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1 ZINC000034713300 555826350 /nfs/dbraw/zinc/82/63/50/555826350.db2.gz RYUAVWJMFQUSCD-KRWDZBQOSA-N 0 0 446.931 5.090 50 0 IKAARN O=C(c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2Cl)n1)N1CCOCC1 ZINC000034713145 555826367 /nfs/dbraw/zinc/82/63/67/555826367.db2.gz HAXXBWDAVUBFTQ-UHFFFAOYSA-N 0 0 449.359 5.168 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1 ZINC000034713233 555826372 /nfs/dbraw/zinc/82/63/72/555826372.db2.gz GXXBOEKUIVVYMK-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN CCCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2F)n1 ZINC000034713167 555826392 /nfs/dbraw/zinc/82/63/92/555826392.db2.gz XWISFHKRJFLBGC-UHFFFAOYSA-N 0 0 438.446 5.687 50 0 IKAARN CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)n1 ZINC000034713639 555827022 /nfs/dbraw/zinc/82/70/22/555827022.db2.gz YZBVLHRKHIXRNA-UHFFFAOYSA-N 0 0 425.312 5.585 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(Cl)cc1 ZINC000002810498 555827244 /nfs/dbraw/zinc/82/72/44/555827244.db2.gz VXPZUHUENSQHGW-UHFFFAOYSA-N 0 0 446.403 6.732 50 0 IKAARN O=C(NC1CC1)c1csc(-c2ccc(OCc3ccccc3C(F)(F)F)cc2F)n1 ZINC000034713657 555827251 /nfs/dbraw/zinc/82/72/51/555827251.db2.gz BKVGTUGSNYRXAL-UHFFFAOYSA-N 0 0 436.430 5.439 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)(c4ccccc4)[C@]3(c3ccc(C)cc3)C2=O)cc1 ZINC000002812597 555827794 /nfs/dbraw/zinc/82/77/94/555827794.db2.gz FGIUSXIGRUGQQA-JOMNFKBKSA-N 0 0 443.546 5.731 50 0 IKAARN CCCC[C@@H](C(=O)Nc1ccc(C)cc1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002814173 555828241 /nfs/dbraw/zinc/82/82/41/555828241.db2.gz VZYPLVDFBNAVAM-IBGZPJMESA-N 0 0 433.335 5.404 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 ZINC000002818009 555829041 /nfs/dbraw/zinc/82/90/41/555829041.db2.gz CFGQHQWRJQIORP-UHFFFAOYSA-N 0 0 441.984 6.087 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)cc1Cl ZINC000002817847 555829052 /nfs/dbraw/zinc/82/90/52/555829052.db2.gz QHUAQTYMJDHRMN-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002817877 555829085 /nfs/dbraw/zinc/82/90/85/555829085.db2.gz GGLXDIDOKGJLPI-UHFFFAOYSA-N 0 0 427.938 5.645 50 0 IKAARN Cc1ccc(OCCCOc2ccc(C)cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000002817354 555829113 /nfs/dbraw/zinc/82/91/13/555829113.db2.gz UMWFIWADHOOSOM-HKOYGPOVSA-N 0 0 427.500 5.496 50 0 IKAARN COc1cccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000002817273 555829127 /nfs/dbraw/zinc/82/91/27/555829127.db2.gz BSGRYGKGTTWVNW-HNNXBMFYSA-N 0 0 437.879 5.029 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)nc4ccccc43)sc2c1 ZINC000002818665 555829499 /nfs/dbraw/zinc/82/94/99/555829499.db2.gz WMYQDRLRUOYJNC-UHFFFAOYSA-N 0 0 439.496 5.801 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC ZINC000002820391 555829814 /nfs/dbraw/zinc/82/98/14/555829814.db2.gz UJVHXHLWUIIYHH-UHFFFAOYSA-N 0 0 425.312 5.392 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2ccccc2OCc2ccc(F)cc2)n1 ZINC000034714003 555829886 /nfs/dbraw/zinc/82/98/86/555829886.db2.gz GBTVKZFHKGEPKE-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)Nc1ccc(Br)cc1-2 ZINC000002822142 555830090 /nfs/dbraw/zinc/83/00/90/555830090.db2.gz XXMAKLCSYHOMKJ-INIZCTEOSA-N 0 0 449.761 5.570 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c3ccccc31)Nc1ccccc1-2 ZINC000002821996 555830098 /nfs/dbraw/zinc/83/00/98/555830098.db2.gz VNXWMESFASGUSL-HSZRJFAPSA-N 0 0 444.560 6.096 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H](C)Oc1ccccc1F ZINC000002823386 555830346 /nfs/dbraw/zinc/83/03/46/555830346.db2.gz KMEBZLQKLWUCBH-OAHLLOKOSA-N 0 0 427.497 5.445 50 0 IKAARN CCOC(=O)[C@H](Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)c1ccccc1 ZINC000002826273 555830953 /nfs/dbraw/zinc/83/09/53/555830953.db2.gz HCQSOJOBQLMFGW-AREMUKBSSA-N 0 0 442.511 5.684 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc(OCC)c1OCC ZINC000002825400 555831018 /nfs/dbraw/zinc/83/10/18/555831018.db2.gz MVBQKLDDVMMTAT-UHFFFAOYSA-N 0 0 446.547 6.263 50 0 IKAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)NC1CCCCCCC1 ZINC000002825571 555831035 /nfs/dbraw/zinc/83/10/35/555831035.db2.gz KOLPHXUNRBAWQG-UHFFFAOYSA-N 0 0 439.939 5.721 50 0 IKAARN Cc1ccc(NC(=O)Nc2nnc(CSCCOc3ccc(Cl)cc3)s2)cc1C ZINC000002828156 555831364 /nfs/dbraw/zinc/83/13/64/555831364.db2.gz CVVRURZMGVXZAP-UHFFFAOYSA-N 0 0 449.001 5.765 50 0 IKAARN Cc1cc(OCc2nnc(NC(=O)Nc3ccc(C(C)(C)C)cc3)s2)ccc1Cl ZINC000002828065 555831446 /nfs/dbraw/zinc/83/14/46/555831446.db2.gz IYTAGDVEHVUPHU-UHFFFAOYSA-N 0 0 430.961 6.020 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC000002828737 555831580 /nfs/dbraw/zinc/83/15/80/555831580.db2.gz PJANMNXASAXFOF-UHFFFAOYSA-N 0 0 449.407 6.126 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl ZINC000002830524 555831620 /nfs/dbraw/zinc/83/16/20/555831620.db2.gz PMHIBVADMQCALR-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000002832954 555832052 /nfs/dbraw/zinc/83/20/52/555832052.db2.gz BWSOYJWFSHEUOH-UHFFFAOYSA-N 0 0 444.534 6.355 50 0 IKAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCc5ccccc5C4)n23)c1 ZINC000034699563 555832327 /nfs/dbraw/zinc/83/23/27/555832327.db2.gz RZVKPARVNFZQSV-UHFFFAOYSA-N 0 0 425.923 5.469 50 0 IKAARN CCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccc(OC)cc1 ZINC000002835431 555832588 /nfs/dbraw/zinc/83/25/88/555832588.db2.gz FZWBVRDYIJVWSC-UHFFFAOYSA-N 0 0 443.330 6.069 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)c1 ZINC000002835286 555832607 /nfs/dbraw/zinc/83/26/07/555832607.db2.gz RBEFBEYKRCHVEA-UHFFFAOYSA-N 0 0 444.988 5.210 50 0 IKAARN O=C(CCc1ccccc1)Nc1nnc(SCc2ccccc2Br)s1 ZINC000002835329 555832611 /nfs/dbraw/zinc/83/26/11/555832611.db2.gz VKVLTNNHESMZHX-UHFFFAOYSA-N 0 0 434.384 5.164 50 0 IKAARN O=C(Nc1c(Cl)cc(Cl)cc1C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000002835468 555832625 /nfs/dbraw/zinc/83/26/25/555832625.db2.gz GYCTYKITUAQOTL-UHFFFAOYSA-N 0 0 448.133 5.025 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cn2cc(Br)cn2)o1 ZINC000002836588 555833152 /nfs/dbraw/zinc/83/31/52/555833152.db2.gz RPYXIGHDKIZJMB-UHFFFAOYSA-N 0 0 448.626 5.211 50 0 IKAARN COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCCc2ccccc2)cc1 ZINC000002836889 555833485 /nfs/dbraw/zinc/83/34/85/555833485.db2.gz VZDJAPPHIYBXEI-UHFFFAOYSA-N 0 0 443.330 5.227 50 0 IKAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000002836977 555833490 /nfs/dbraw/zinc/83/34/90/555833490.db2.gz QAUUDOSQGXAUMG-OAHLLOKOSA-N 0 0 431.989 5.244 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000002836727 555833493 /nfs/dbraw/zinc/83/34/93/555833493.db2.gz DFCSGTWEIARLQY-UHFFFAOYSA-N 0 0 425.743 5.915 50 0 IKAARN O=C(Oc1ccccc1-c1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002836817 555833505 /nfs/dbraw/zinc/83/35/05/555833505.db2.gz CCQSWDWKETVGLD-RUZDIDTESA-N 0 0 447.490 5.167 50 0 IKAARN Cc1cccc(-c2nnc3c4cc(C)ccc4nc(N4CCC(Cc5ccccc5)CC4)n23)c1 ZINC000034699748 555833754 /nfs/dbraw/zinc/83/37/54/555833754.db2.gz FXHUPZKLMNEOPL-UHFFFAOYSA-N 0 0 447.586 6.020 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)sc3c(c1C(C)(C)N2)-c1cccc2cccc-3c12 ZINC000002837491 555833796 /nfs/dbraw/zinc/83/37/96/555833796.db2.gz WBNKCXWVGGKQQS-UHFFFAOYSA-N 0 0 427.594 8.004 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000002837848 555834071 /nfs/dbraw/zinc/83/40/71/555834071.db2.gz IXNHCCNRFUVNHR-UHFFFAOYSA-N 0 0 433.964 5.795 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c(C)c1 ZINC000002838260 555834086 /nfs/dbraw/zinc/83/40/86/555834086.db2.gz GRCCIBJHXJUVRL-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 ZINC000002838133 555834112 /nfs/dbraw/zinc/83/41/12/555834112.db2.gz MVBXFVLORBAUCR-UHFFFAOYSA-N 0 0 442.588 5.844 50 0 IKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000002838591 555834401 /nfs/dbraw/zinc/83/44/01/555834401.db2.gz YYLOAVZAMJDMAI-DLBZAZTESA-N 0 0 438.980 5.950 50 0 IKAARN CCOc1ccc(-c2nc(N(C(=O)C3CCCCC3)c3cccc(F)c3)sc2C)cc1 ZINC000002839385 555834621 /nfs/dbraw/zinc/83/46/21/555834621.db2.gz VSYOTQZPTJDCRE-UHFFFAOYSA-N 0 0 438.568 6.901 50 0 IKAARN CCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2F)nc1-c1ccc(C)cc1 ZINC000002838857 555834681 /nfs/dbraw/zinc/83/46/81/555834681.db2.gz XBLHLFIWLVZQOL-UHFFFAOYSA-N 0 0 430.548 6.727 50 0 IKAARN Cc1sc(N(C(=O)CCc2ccccc2)c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000002838997 555834700 /nfs/dbraw/zinc/83/47/00/555834700.db2.gz MMBTYLZMBZDDRI-UHFFFAOYSA-N 0 0 426.585 7.033 50 0 IKAARN CCCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccccc1OCC ZINC000002838831 555834708 /nfs/dbraw/zinc/83/47/08/555834708.db2.gz CJFOKLWIKNUZJX-UHFFFAOYSA-N 0 0 428.985 7.026 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000002840561 555835033 /nfs/dbraw/zinc/83/50/33/555835033.db2.gz XEFXFVFQTRIXIP-UHFFFAOYSA-N 0 0 449.407 6.126 50 0 IKAARN O=C(Nc1ccccc1F)c1c2c(sc1NC(=O)c1cccc3ccccc31)CCC2 ZINC000002840670 555835227 /nfs/dbraw/zinc/83/52/27/555835227.db2.gz SZJLIZMXVKIOMN-UHFFFAOYSA-N 0 0 430.504 6.034 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000002840766 555835253 /nfs/dbraw/zinc/83/52/53/555835253.db2.gz GDUHYJTWYFQVDP-UHFFFAOYSA-N 0 0 425.554 5.374 50 0 IKAARN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000002841085 555835591 /nfs/dbraw/zinc/83/55/91/555835591.db2.gz ZBPKJGGQTSBMSV-UHFFFAOYSA-N 0 0 444.988 5.186 50 0 IKAARN O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccccc2)cc1 ZINC000002844092 555836905 /nfs/dbraw/zinc/83/69/05/555836905.db2.gz ZVSPNGJNWCKDBG-UHFFFAOYSA-N 0 0 449.539 5.214 50 0 IKAARN Cc1ccc(SCC(=O)Nc2nnc(CC(c3ccccc3)c3ccccc3)s2)cc1 ZINC000002845046 555837297 /nfs/dbraw/zinc/83/72/97/555837297.db2.gz KXWHRPYZDNDKCA-UHFFFAOYSA-N 0 0 445.613 5.952 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1 ZINC000002846458 555837708 /nfs/dbraw/zinc/83/77/08/555837708.db2.gz SBMUCHXZEBBYOD-UHFFFAOYSA-N 0 0 431.879 5.232 50 0 IKAARN COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 ZINC000002846337 555837724 /nfs/dbraw/zinc/83/77/24/555837724.db2.gz PCDOFGXGVPDDFM-UHFFFAOYSA-N 0 0 441.531 5.835 50 0 IKAARN CC12CN(C(=O)c3ccccc3Cl)CC(C)(CN(C(=O)c3ccccc3Cl)C1)C2 ZINC000002847254 555838019 /nfs/dbraw/zinc/83/80/19/555838019.db2.gz VRSSOIPMNUVLKC-UHFFFAOYSA-N 0 0 431.363 5.008 50 0 IKAARN COc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3cc(Cl)ccc3OC)n2)cc1 ZINC000002849057 555838393 /nfs/dbraw/zinc/83/83/93/555838393.db2.gz AXTJLSGTSGMGJR-UHFFFAOYSA-N 0 0 449.894 5.255 50 0 IKAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000002850582 555838944 /nfs/dbraw/zinc/83/89/44/555838944.db2.gz OEQUKYPFHOODQO-LBPRGKRZSA-N 0 0 449.290 5.253 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 ZINC000002849883 555838981 /nfs/dbraw/zinc/83/89/81/555838981.db2.gz AGLNOALSXXDBNM-OAHLLOKOSA-N 0 0 443.330 5.960 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 ZINC000002849884 555838998 /nfs/dbraw/zinc/83/89/98/555838998.db2.gz AGLNOALSXXDBNM-HNNXBMFYSA-N 0 0 443.330 5.960 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2ccccc2)cc1 ZINC000002851146 555839220 /nfs/dbraw/zinc/83/92/20/555839220.db2.gz UWGIKIIVTFAQSY-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN O=C(Nc1ccc(I)cc1C(F)(F)F)c1cc2ccccc2o1 ZINC000002850689 555839320 /nfs/dbraw/zinc/83/93/20/555839320.db2.gz OATOBFAJZXKRDD-UHFFFAOYSA-N 0 0 431.151 5.309 50 0 IKAARN Cc1cccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1 ZINC000002851422 555839525 /nfs/dbraw/zinc/83/95/25/555839525.db2.gz DKWGHYAIEVREPZ-UHFFFAOYSA-N 0 0 425.326 5.387 50 0 IKAARN Cc1cc(=O)oc2cc(NC(=S)NCCC(c3ccccc3)c3ccccc3)ccc12 ZINC000002853219 555840380 /nfs/dbraw/zinc/84/03/80/555840380.db2.gz GBACLKJROZFNGX-UHFFFAOYSA-N 0 0 428.557 5.610 50 0 IKAARN CC[C@H](C)c1ccc(NC(=S)Nc2nn(Cc3ccccc3Cl)cc2Cl)cc1 ZINC000002855692 555841456 /nfs/dbraw/zinc/84/14/56/555841456.db2.gz UZZLQNPKNQBOQS-AWEZNQCLSA-N 0 0 433.408 6.561 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002856621 555842059 /nfs/dbraw/zinc/84/20/59/555842059.db2.gz QGIBOKTZEUBDJR-AREMUKBSSA-N 0 0 425.553 6.738 50 0 IKAARN CC(=O)c1ccc(NC(=S)Nc2c(C)nn(Cc3cccc4ccccc43)c2C)cc1 ZINC000002857048 555842313 /nfs/dbraw/zinc/84/23/13/555842313.db2.gz HLSHTDDKCWIBKO-UHFFFAOYSA-N 0 0 428.561 5.713 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=S)Nc2c(C)nn(Cc3c(F)cccc3Cl)c2C)cc1 ZINC000002857317 555842316 /nfs/dbraw/zinc/84/23/16/555842316.db2.gz XQLINZZWAXBISN-CQSZACIVSA-N 0 0 445.007 6.663 50 0 IKAARN COc1cc(NC(=S)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc(OC)c1 ZINC000002858013 555842768 /nfs/dbraw/zinc/84/27/68/555842768.db2.gz NHIMYMRUHMUUJN-UHFFFAOYSA-N 0 0 437.352 5.064 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cncc(Br)c4)ccc3o2)c(Cl)c1 ZINC000002857743 555842773 /nfs/dbraw/zinc/84/27/73/555842773.db2.gz HGBUXOFBWFVICJ-UHFFFAOYSA-N 0 0 442.700 5.866 50 0 IKAARN COc1ccc(Cl)cc1NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002858182 555842898 /nfs/dbraw/zinc/84/28/98/555842898.db2.gz FDJDNRSUQSPGTC-UHFFFAOYSA-N 0 0 439.993 6.743 50 0 IKAARN CC(=O)c1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2C)cc1 ZINC000002858206 555842916 /nfs/dbraw/zinc/84/29/16/555842916.db2.gz XKFYKEYWAJZQTC-UHFFFAOYSA-N 0 0 431.323 5.702 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000002858151 555842965 /nfs/dbraw/zinc/84/29/65/555842965.db2.gz JZASJJFPJUURLT-UHFFFAOYSA-N 0 0 433.780 5.376 50 0 IKAARN CCCCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002858336 555842997 /nfs/dbraw/zinc/84/29/97/555842997.db2.gz HLWZOAUFCROGEZ-UHFFFAOYSA-N 0 0 436.577 5.002 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002858718 555843270 /nfs/dbraw/zinc/84/32/70/555843270.db2.gz OMWFKVFLSOMQCU-UHFFFAOYSA-N 0 0 442.540 5.258 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000002859184 555843505 /nfs/dbraw/zinc/84/35/05/555843505.db2.gz IQTNRCQXQOTEAA-UHFFFAOYSA-N 0 0 429.229 5.901 50 0 IKAARN CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(C)cc1 ZINC000002860647 555844184 /nfs/dbraw/zinc/84/41/84/555844184.db2.gz VNJQOXNJIXQZLB-UHFFFAOYSA-N 0 0 435.380 5.387 50 0 aggregator IKAARN c1ccc(CSc2nnc(COc3cccc4ccccc43)n2Cc2ccccc2)cc1 ZINC000002860875 555844454 /nfs/dbraw/zinc/84/44/54/555844454.db2.gz RLQOPJULTOCNJH-UHFFFAOYSA-N 0 0 437.568 6.351 50 0 IKAARN COc1cccc(NC(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 ZINC000002861982 555845081 /nfs/dbraw/zinc/84/50/81/555845081.db2.gz DALQWNUOBJECCK-UHFFFAOYSA-N 0 0 436.511 5.718 50 0 IKAARN Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1C ZINC000002862285 555845342 /nfs/dbraw/zinc/84/53/42/555845342.db2.gz UROZVABJWPIPFX-UHFFFAOYSA-N 0 0 446.597 5.528 50 0 IKAARN CC[C@H](Oc1nc2ccccc2nc1-c1ccccc1NC(C)=O)C(=O)c1ccccc1 ZINC000002862199 555845363 /nfs/dbraw/zinc/84/53/63/555845363.db2.gz OIXLEZQIYWSTFE-QHCPKHFHSA-N 0 0 425.488 5.296 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1 ZINC000002862320 555845389 /nfs/dbraw/zinc/84/53/89/555845389.db2.gz PMFLUVRSCDUNRI-DEOSSOPVSA-N 0 0 427.475 5.603 50 0 IKAARN CCN(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000002862436 555845829 /nfs/dbraw/zinc/84/58/29/555845829.db2.gz TUMWAYOEBLEYBW-UHFFFAOYSA-N 0 0 429.523 6.631 50 0 IKAARN CCCCOc1ccc(C(=O)OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000002862870 555845835 /nfs/dbraw/zinc/84/58/35/555845835.db2.gz LBAYXQWOBKQGGY-UHFFFAOYSA-N 0 0 438.545 5.196 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000002863237 555846029 /nfs/dbraw/zinc/84/60/29/555846029.db2.gz ZGTDDZFLLRCCMI-UHFFFAOYSA-N 0 0 440.253 5.020 50 0 IKAARN CCCOc1c(I)cc(CNc2cccc(Cl)c2)cc1OC ZINC000002866433 555847471 /nfs/dbraw/zinc/84/74/71/555847471.db2.gz SFRLPQZOUVGYJB-UHFFFAOYSA-N 0 0 431.701 5.354 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002866770 555847763 /nfs/dbraw/zinc/84/77/63/555847763.db2.gz UTUIZZWGHJNZPQ-AWEZNQCLSA-N 0 0 435.351 5.462 50 0 IKAARN O=C(Nc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1)c1ccccc1 ZINC000002867173 555847772 /nfs/dbraw/zinc/84/77/72/555847772.db2.gz DCTIUYHJSDDXCS-UHFFFAOYSA-N 0 0 428.926 5.391 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(Cl)ccc23)c1 ZINC000002867455 555847808 /nfs/dbraw/zinc/84/78/08/555847808.db2.gz CHXYTYPDWVZFQH-UHFFFAOYSA-N 0 0 445.906 5.688 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccccn3)nc3c(C)c(Cl)ccc23)cc(OC)c1 ZINC000002867531 555848101 /nfs/dbraw/zinc/84/81/01/555848101.db2.gz PCHOYALSXNJNLU-UHFFFAOYSA-N 0 0 433.895 5.528 50 0 IKAARN COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1OC ZINC000002867494 555848137 /nfs/dbraw/zinc/84/81/37/555848137.db2.gz UQDYDPCVVGVAHI-UHFFFAOYSA-N 0 0 438.936 5.564 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2ccccc2n1 ZINC000002867482 555848145 /nfs/dbraw/zinc/84/81/45/555848145.db2.gz CPUVOKPHONHAQV-KRWDZBQOSA-N 0 0 440.499 5.520 50 0 IKAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc43)CC2)cc1 ZINC000002867682 555848149 /nfs/dbraw/zinc/84/81/49/555848149.db2.gz QESYZZIBQDTDIE-UHFFFAOYSA-N 0 0 441.556 5.128 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)Nc3ccc4c(c3)OCCO4)cc(-c3ccccn3)nc12 ZINC000002867488 555848153 /nfs/dbraw/zinc/84/81/53/555848153.db2.gz KTDDCIGUSAGYAW-UHFFFAOYSA-N 0 0 431.879 5.282 50 0 IKAARN O=C(Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000002868203 555848370 /nfs/dbraw/zinc/84/83/70/555848370.db2.gz SIZGOLNENQXGED-UHFFFAOYSA-N 0 0 435.479 5.527 50 0 IKAARN COc1ccc(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccc(Cl)cc32)cc1OC ZINC000002867857 555848386 /nfs/dbraw/zinc/84/83/86/555848386.db2.gz MZJSOFIBGVWIAV-UHFFFAOYSA-N 0 0 446.934 5.811 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3ccccc3Cl)nc3c(C)cccc23)c(C(N)=O)c1C ZINC000002868180 555848414 /nfs/dbraw/zinc/84/84/14/555848414.db2.gz CSAVXHOGZDQPLZ-UHFFFAOYSA-N 0 0 449.963 5.893 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c2ccccc2n1 ZINC000002868106 555848418 /nfs/dbraw/zinc/84/84/18/555848418.db2.gz NYJBPVSIFUDVLM-UHFFFAOYSA-N 0 0 426.472 5.339 50 0 IKAARN COc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)s2)cc1 ZINC000002867834 555848475 /nfs/dbraw/zinc/84/84/75/555848475.db2.gz PFTHHQLQJIXZMC-UHFFFAOYSA-N 0 0 438.512 5.681 50 0 IKAARN Cc1ccccc1CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)s1 ZINC000002872423 555850414 /nfs/dbraw/zinc/85/04/14/555850414.db2.gz VJWWQMZCEUNFNR-CQSZACIVSA-N 0 0 433.986 5.507 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000002873892 555851125 /nfs/dbraw/zinc/85/11/25/555851125.db2.gz VFXNIERFKYYXHY-UHFFFAOYSA-N 0 0 436.577 5.536 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000002876420 555852600 /nfs/dbraw/zinc/85/26/00/555852600.db2.gz WIFOPGMEFNYPHF-UHFFFAOYSA-N 0 0 433.735 6.890 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)Nc1ccc(Br)cc1-2 ZINC000002878537 555853505 /nfs/dbraw/zinc/85/35/05/555853505.db2.gz UIYUTELXSCQWGZ-OAHLLOKOSA-N 0 0 435.734 5.180 50 0 IKAARN O=C(COc1ccc(Br)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002878362 555853571 /nfs/dbraw/zinc/85/35/71/555853571.db2.gz UQIWTOVPTZUQMB-UHFFFAOYSA-N 0 0 443.046 5.792 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000002878602 555853576 /nfs/dbraw/zinc/85/35/76/555853576.db2.gz WZAKZPXSQPBVCB-ZHZULCJRSA-N 0 0 434.289 5.373 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccc(I)cc2)no1 ZINC000002879155 555853895 /nfs/dbraw/zinc/85/38/95/555853895.db2.gz IOJWXVKFFCFDLE-UHFFFAOYSA-N 0 0 440.668 5.309 50 0 IKAARN O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1ccc(F)cc1 ZINC000002879215 555853952 /nfs/dbraw/zinc/85/39/52/555853952.db2.gz URSZEDBUKHOVET-UHFFFAOYSA-N 0 0 441.837 5.686 50 0 IKAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000002880062 555854496 /nfs/dbraw/zinc/85/44/96/555854496.db2.gz FOUQBAQXMSMXHZ-UHFFFAOYSA-N 0 0 447.585 5.877 50 0 IKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000002879780 555854583 /nfs/dbraw/zinc/85/45/83/555854583.db2.gz QYCLHQUXPLLVJA-UHFFFAOYSA-N 0 0 447.535 6.193 50 0 IKAARN O=C(Nc1ccc(I)cc1F)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002880068 555854588 /nfs/dbraw/zinc/85/45/88/555854588.db2.gz PWYCDBKKWMLRPO-UHFFFAOYSA-N 0 0 441.627 5.596 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1NC(=O)C(C)C ZINC000002879974 555854629 /nfs/dbraw/zinc/85/46/29/555854629.db2.gz VAIZHTZGWBQDNS-UHFFFAOYSA-N 0 0 447.318 6.109 50 0 IKAARN COc1ccc2nc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000002880941 555855281 /nfs/dbraw/zinc/85/52/81/555855281.db2.gz VNXHLWJOXZWJAF-UHFFFAOYSA-N 0 0 449.557 5.011 50 0 IKAARN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002881325 555855288 /nfs/dbraw/zinc/85/52/88/555855288.db2.gz KLZPXHOQIFPYRE-UHFFFAOYSA-N 0 0 449.315 5.151 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000002881664 555855611 /nfs/dbraw/zinc/85/56/11/555855611.db2.gz HZEHFJLYFDSQOJ-UHFFFAOYSA-N 0 0 443.553 6.145 50 0 IKAARN CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000002881353 555855642 /nfs/dbraw/zinc/85/56/42/555855642.db2.gz UQWONMOKIGZOIZ-UHFFFAOYSA-N 0 0 440.590 5.387 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3)nc2c1 ZINC000002882059 555855978 /nfs/dbraw/zinc/85/59/78/555855978.db2.gz JHDNWXZZCYCMIE-UHFFFAOYSA-N 0 0 433.508 5.884 50 0 IKAARN CCOc1cc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc(OCC)c1OCC ZINC000002882212 555856208 /nfs/dbraw/zinc/85/62/08/555856208.db2.gz XUXIMDZJUZTQRG-UHFFFAOYSA-N 0 0 440.565 5.875 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)Nc1ccc(Br)cc1-2 ZINC000002882646 555856270 /nfs/dbraw/zinc/85/62/70/555856270.db2.gz HBHBDZBLICSMLL-HNNXBMFYSA-N 0 0 435.734 5.180 50 0 IKAARN COc1cc(NC(=O)c2ccc(Br)o2)ccc1-c1cc2ccccc2oc1=O ZINC000002884115 555856901 /nfs/dbraw/zinc/85/69/01/555856901.db2.gz WXDXUFILIXCXOB-UHFFFAOYSA-N 0 0 440.249 5.076 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000002884303 555857170 /nfs/dbraw/zinc/85/71/70/555857170.db2.gz GZGXSJXAVXQAAN-NRFANRHFSA-N 0 0 436.555 5.772 50 0 IKAARN CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000002884640 555857239 /nfs/dbraw/zinc/85/72/39/555857239.db2.gz FIVBQEMCRKONAW-UHFFFAOYSA-N 0 0 426.563 5.078 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1cc2ccccc2o1 ZINC000002885121 555857778 /nfs/dbraw/zinc/85/77/78/555857778.db2.gz UFSZQUANKVCKIQ-UHFFFAOYSA-N 0 0 432.479 6.604 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002886229 555858068 /nfs/dbraw/zinc/85/80/68/555858068.db2.gz KASMBVFTMDRMRH-UHFFFAOYSA-N 0 0 430.916 7.129 50 0 IKAARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1C(F)(F)F ZINC000002886592 555858298 /nfs/dbraw/zinc/85/82/98/555858298.db2.gz OHNPNBMMCLWSKH-UHFFFAOYSA-N 0 0 438.243 5.811 50 0 IKAARN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1C ZINC000002887097 555858404 /nfs/dbraw/zinc/85/84/04/555858404.db2.gz OMURDUDELDMDBT-UHFFFAOYSA-N 0 0 428.513 5.204 50 0 IKAARN Cn1c(SCCCCSc2nnc(-c3cccs3)n2C)nnc1-c1cccs1 ZINC000002886994 555858407 /nfs/dbraw/zinc/85/84/07/555858407.db2.gz FKYCSMNJEIJUQD-UHFFFAOYSA-N 0 0 448.668 5.065 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002887458 555858701 /nfs/dbraw/zinc/85/87/01/555858701.db2.gz VNCRVYGEPRXROF-INIZCTEOSA-N 0 0 441.358 5.997 50 0 aggregator IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002891011 555859593 /nfs/dbraw/zinc/85/95/93/555859593.db2.gz VQAVRQDMXCXBKG-UHFFFAOYSA-N 0 0 433.891 5.910 50 0 IKAARN COc1ccc(-c2ccccc2)cc1NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000002894014 555860151 /nfs/dbraw/zinc/86/01/51/555860151.db2.gz KKIMKSWBMGMUAB-UHFFFAOYSA-N 0 0 425.528 6.562 50 0 IKAARN CC(C)(C)c1cc(C(=O)c2nc3ccccc3n2Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000002899570 555860564 /nfs/dbraw/zinc/86/05/64/555860564.db2.gz ZLRUDOCONCABJZ-UHFFFAOYSA-N 0 0 440.587 6.616 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000002898591 555860591 /nfs/dbraw/zinc/86/05/91/555860591.db2.gz PYABQJXVKPIZGM-CLJLJLNGSA-N 0 0 428.482 6.143 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000002900191 555860663 /nfs/dbraw/zinc/86/06/63/555860663.db2.gz VMFPNCZTQLKSQH-UHFFFAOYSA-N 0 0 441.358 6.796 50 0 IKAARN O=C(c1csc(-c2ccc(OCc3ccccc3Cl)cc2F)n1)N1CCSCC1 ZINC000034723014 555860925 /nfs/dbraw/zinc/86/09/25/555860925.db2.gz PWOCVOYBUSBION-UHFFFAOYSA-N 0 0 448.972 5.371 50 0 IKAARN CCCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1C ZINC000002905757 555861257 /nfs/dbraw/zinc/86/12/57/555861257.db2.gz JBXOKDXEMBSBNI-UHFFFAOYSA-N 0 0 428.410 5.762 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 ZINC000002906099 555861671 /nfs/dbraw/zinc/86/16/71/555861671.db2.gz IXAVUQGGHKZXEC-FQEVSTJZSA-N 0 0 436.924 6.067 50 0 IKAARN O=C(c1csc(-c2ccccc2OCc2ccc(Cl)cc2)n1)N1CCSCC1 ZINC000034723225 555861685 /nfs/dbraw/zinc/86/16/85/555861685.db2.gz UNQPHIMTQXPCTD-UHFFFAOYSA-N 0 0 430.982 5.232 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1-2 ZINC000002916217 555862817 /nfs/dbraw/zinc/86/28/17/555862817.db2.gz MUHVGKOKVRDPQX-GOSISDBHSA-N 0 0 433.364 6.241 50 0 IKAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000002917906 555863025 /nfs/dbraw/zinc/86/30/25/555863025.db2.gz LMDQPAJOZJBVBM-RPWUZVMVSA-N 0 0 442.906 5.153 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000002920881 555863168 /nfs/dbraw/zinc/86/31/68/555863168.db2.gz ANFRCXQGYYUNCH-GOSISDBHSA-N 0 0 443.370 5.696 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1ccc(F)cc1 ZINC000002922499 555863424 /nfs/dbraw/zinc/86/34/24/555863424.db2.gz FIAHVOUKUPWOOT-UHFFFAOYSA-N 0 0 425.290 6.908 50 0 IKAARN COc1ccc(-c2ccccc2)cc1NCc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928734 555863734 /nfs/dbraw/zinc/86/37/34/555863734.db2.gz FKUBJXBGLQZQBA-UHFFFAOYSA-N 0 0 449.550 7.705 50 0 IKAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000002929433 555863774 /nfs/dbraw/zinc/86/37/74/555863774.db2.gz JDJFUIHFUQKDAI-UHFFFAOYSA-N 0 0 428.772 5.374 50 0 IKAARN COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@H](C(Cl)(Cl)Cl)O2)cc1OC ZINC000002930932 555864146 /nfs/dbraw/zinc/86/41/46/555864146.db2.gz FOJOACSAQGXUKD-LJQANCHMSA-N 0 0 445.726 5.661 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000002936639 555864449 /nfs/dbraw/zinc/86/44/49/555864449.db2.gz ZZVGYRRTCQCDEB-UHFFFAOYSA-N 0 0 445.327 6.237 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccccc4)cc3)nc2c1 ZINC000002938651 555864761 /nfs/dbraw/zinc/86/47/61/555864761.db2.gz AIVCCHFANQKSOA-OVCLIPMQSA-N 0 0 441.556 6.145 50 0 IKAARN CC[C@@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)C1CCCC1 ZINC000034715173 555864801 /nfs/dbraw/zinc/86/48/01/555864801.db2.gz DQRCEMFDOLELSD-HXUWFJFHSA-N 0 0 440.653 5.650 50 0 IKAARN Cc1cc([C@@H]2CC[C@H](C(=O)NCc3cccc(F)c3)CN2C(=O)C2CCCC2)ccc1F ZINC000034715394 555864831 /nfs/dbraw/zinc/86/48/31/555864831.db2.gz FCANQNJFXVFXFC-URXFXBBRSA-N 0 0 440.534 5.060 50 0 IKAARN CCCCNC(=O)N1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC[C@H]1c1ccc(F)c(C)c1 ZINC000034716556 555865805 /nfs/dbraw/zinc/86/58/05/555865805.db2.gz YFVANEFTHZAYCX-CVDCTZTESA-N 0 0 441.547 5.044 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002951726 555865920 /nfs/dbraw/zinc/86/59/20/555865920.db2.gz KEZBZQIMHFEQKX-UHFFFAOYSA-N 0 0 442.153 5.748 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1Cl ZINC000002951655 555866010 /nfs/dbraw/zinc/86/60/10/555866010.db2.gz ZGIOUSZKVBAGCD-UHFFFAOYSA-N 0 0 446.572 6.392 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000034717132 555867059 /nfs/dbraw/zinc/86/70/59/555867059.db2.gz OJDZRZDNHKFUMP-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000002956440 555867069 /nfs/dbraw/zinc/86/70/69/555867069.db2.gz IJAAEBPVNRLUHP-BDELYBFDSA-N 0 0 441.530 5.924 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3ccccc3F)cs2)ccc1OCc1ccccc1 ZINC000034717291 555867251 /nfs/dbraw/zinc/86/72/51/555867251.db2.gz JOTPVDCYTZQJAB-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCC(C)C)c(OC)c3)n2)c(OC)c1 ZINC000034717355 555867586 /nfs/dbraw/zinc/86/75/86/555867586.db2.gz DIAJKKZMECYTDO-UHFFFAOYSA-N 0 0 442.537 5.123 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000034717362 555867680 /nfs/dbraw/zinc/86/76/80/555867680.db2.gz CZJJMWHSWLMPLL-UHFFFAOYSA-N 0 0 434.483 5.888 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1 ZINC000034717486 555868247 /nfs/dbraw/zinc/86/82/47/555868247.db2.gz XOZUKHCQJFFCCA-UHFFFAOYSA-N 0 0 435.376 6.176 50 0 IKAARN CCOC(=O)[C@H]1CCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)cc1 ZINC000002963184 555868279 /nfs/dbraw/zinc/86/82/79/555868279.db2.gz HSGZDBKSGJHBGJ-RDPSFJRHSA-N 0 0 448.360 6.496 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C ZINC000002965454 555868649 /nfs/dbraw/zinc/86/86/49/555868649.db2.gz DWDMNPANLCTGJT-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN O[C@H](Cn1nc(-c2ccccc2)cc1-c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002968259 555868789 /nfs/dbraw/zinc/86/87/89/555868789.db2.gz ATMQAMBJEBBPPX-DEOSSOPVSA-N 0 0 443.550 6.386 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3O)nc2c1 ZINC000002968505 555869051 /nfs/dbraw/zinc/86/90/51/555869051.db2.gz KHWIGTHNMNYJOX-UHFFFAOYSA-N 0 0 434.904 6.629 50 0 IKAARN COc1cccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)c1 ZINC000002970562 555869363 /nfs/dbraw/zinc/86/93/63/555869363.db2.gz VDDKMTUJJIFMIM-UHFFFAOYSA-N 0 0 434.904 6.624 50 0 IKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)o1 ZINC000002970389 555869378 /nfs/dbraw/zinc/86/93/78/555869378.db2.gz MPSOKISNHAHMIM-UHFFFAOYSA-N 0 0 428.875 6.969 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)cc1 ZINC000002972753 555869673 /nfs/dbraw/zinc/86/96/73/555869673.db2.gz HDUFZTVHVPFRMX-UHFFFAOYSA-N 0 0 448.347 5.516 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000002972709 555869679 /nfs/dbraw/zinc/86/96/79/555869679.db2.gz IZQOCKCBJAZRAO-UHFFFAOYSA-N 0 0 442.165 6.440 50 0 IKAARN O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccc(Cl)cc1 ZINC000002975166 555869997 /nfs/dbraw/zinc/86/99/97/555869997.db2.gz TXWGTOITHPHAOY-UHFFFAOYSA-N 0 0 438.739 6.096 50 0 IKAARN C[C@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2)c1ccccc1 ZINC000002974583 555870004 /nfs/dbraw/zinc/87/00/04/555870004.db2.gz VETUNSGQTQZBLA-INIZCTEOSA-N 0 0 436.552 5.899 50 0 IKAARN Cc1ccccc1NC(=O)Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1 ZINC000002977037 555870011 /nfs/dbraw/zinc/87/00/11/555870011.db2.gz XXJRYLSXVZITBM-UHFFFAOYSA-N 0 0 437.352 5.809 50 0 IKAARN COc1ccc(C(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002976277 555870061 /nfs/dbraw/zinc/87/00/61/555870061.db2.gz IZDUPQBWUNQGRZ-UHFFFAOYSA-N 0 0 428.484 5.271 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(O)cc2)Nc2ccccc2-3)cc1 ZINC000002977709 555870348 /nfs/dbraw/zinc/87/03/48/555870348.db2.gz CONTYGMQKDGQLO-JOCHJYFZSA-N 0 0 428.517 5.348 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)cc1Cl ZINC000002978508 555870603 /nfs/dbraw/zinc/87/06/03/555870603.db2.gz OROVUZKRFLSZIZ-UHFFFAOYSA-N 0 0 436.895 5.791 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1cccs1 ZINC000002978693 555870887 /nfs/dbraw/zinc/87/08/87/555870887.db2.gz FYEIPPWLXLCZJL-UHFFFAOYSA-N 0 0 449.329 6.724 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1cccs1 ZINC000002978722 555870893 /nfs/dbraw/zinc/87/08/93/555870893.db2.gz XSMCQRJGMMIIHF-UHFFFAOYSA-N 0 0 446.269 5.413 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc1C ZINC000002978649 555870961 /nfs/dbraw/zinc/87/09/61/555870961.db2.gz KGUHJKDCASPJEI-UHFFFAOYSA-N 0 0 446.395 5.316 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(F)cc1 ZINC000002978922 555871063 /nfs/dbraw/zinc/87/10/63/555871063.db2.gz BDJJKVDBXWWDIA-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3)oc2c(C)c1 ZINC000002979124 555871220 /nfs/dbraw/zinc/87/12/20/555871220.db2.gz ADJWJSYCKQKFHA-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3)nc2c1 ZINC000002980498 555871798 /nfs/dbraw/zinc/87/17/98/555871798.db2.gz BIKPDRCTVJQIAX-UHFFFAOYSA-N 0 0 449.963 6.398 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1F ZINC000002980069 555871811 /nfs/dbraw/zinc/87/18/11/555871811.db2.gz MASZCKZJVJIDBH-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)o2)cc1Cl ZINC000002982123 555872465 /nfs/dbraw/zinc/87/24/65/555872465.db2.gz GAZWKIOABFQYIX-UHFFFAOYSA-N 0 0 430.891 6.413 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c1 ZINC000002982162 555872479 /nfs/dbraw/zinc/87/24/79/555872479.db2.gz NJFDKRBGNZXHSB-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000002982133 555872508 /nfs/dbraw/zinc/87/25/08/555872508.db2.gz LEDNUPUSYGOLGW-NSHDSACASA-N 0 0 446.161 5.287 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000002981973 555872543 /nfs/dbraw/zinc/87/25/43/555872543.db2.gz YFRJJIXGULRAAY-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3C)oc2c(C)c1 ZINC000002982211 555872555 /nfs/dbraw/zinc/87/25/55/555872555.db2.gz AWSYVZOLCNQRHG-UHFFFAOYSA-N 0 0 434.923 6.399 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 ZINC000002982352 555872849 /nfs/dbraw/zinc/87/28/49/555872849.db2.gz CNJJZASUVXIULC-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN Cc1ccc(OCCOc2ccccc2-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1C ZINC000002983737 555873424 /nfs/dbraw/zinc/87/34/24/555873424.db2.gz ZEACVRNFXYYBQW-UHFFFAOYSA-N 0 0 446.572 5.605 50 0 IKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000002984554 555873772 /nfs/dbraw/zinc/87/37/72/555873772.db2.gz NXEBYZNSFWYTJZ-PCLIKHOPSA-N 0 0 439.898 6.417 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000002984941 555873818 /nfs/dbraw/zinc/87/38/18/555873818.db2.gz XLFSEEZIFVHZMU-UHFFFAOYSA-N 0 0 446.532 5.196 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C ZINC000002984487 555873835 /nfs/dbraw/zinc/87/38/35/555873835.db2.gz JXATUZXJHNAAGH-UHFFFAOYSA-N 0 0 442.902 6.871 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1Cl ZINC000002986260 555873944 /nfs/dbraw/zinc/87/39/44/555873944.db2.gz IDNMNURTWMVNID-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl ZINC000002986245 555874049 /nfs/dbraw/zinc/87/40/49/555874049.db2.gz BSYVGMCWGUSVKF-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)o1 ZINC000002987649 555874289 /nfs/dbraw/zinc/87/42/89/555874289.db2.gz VOVKJNYDNQXIHO-UHFFFAOYSA-N 0 0 442.902 7.277 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1 ZINC000002995568 555876040 /nfs/dbraw/zinc/87/60/40/555876040.db2.gz VBOZVBOFPGLENK-UHFFFAOYSA-N 0 0 426.877 5.190 50 0 IKAARN Cc1sc2nc(SCC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000002996649 555876336 /nfs/dbraw/zinc/87/63/36/555876336.db2.gz ZHTFXKCNEFLNAL-UHFFFAOYSA-N 0 0 440.977 5.692 50 0 IKAARN CC(=O)n1c2sc(-c3ccccc3)c(-c3ccccc3)c2c(=O)n(-c2ccccc2)c1=O ZINC000002998080 555876616 /nfs/dbraw/zinc/87/66/16/555876616.db2.gz GXTXBHVSOMJJTM-UHFFFAOYSA-N 0 0 438.508 5.208 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002998506 555876959 /nfs/dbraw/zinc/87/69/59/555876959.db2.gz BVHXQIQAXFLBSY-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc(-c2ccccc2)c1Cc1ccccc1 ZINC000002999236 555877279 /nfs/dbraw/zinc/87/72/79/555877279.db2.gz CJKVTOMBXIETQJ-UHFFFAOYSA-N 0 0 431.513 6.028 50 0 IKAARN CSc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000003001019 555877822 /nfs/dbraw/zinc/87/78/22/555877822.db2.gz VSLFXUMMCPVAAP-QFIPXVFZSA-N 0 0 444.585 6.056 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003002801 555877851 /nfs/dbraw/zinc/87/78/51/555877851.db2.gz SAWIDMNVECJGQK-UHFFFAOYSA-N 0 0 448.224 5.157 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl ZINC000003002434 555877880 /nfs/dbraw/zinc/87/78/80/555877880.db2.gz PDLIULCQCJKCMT-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN CCc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000003002082 555877915 /nfs/dbraw/zinc/87/79/15/555877915.db2.gz BCOSLZZEIYVIKW-QHCPKHFHSA-N 0 0 426.545 5.896 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1F)Nc1ccc(Br)cc1-2 ZINC000003003129 555878137 /nfs/dbraw/zinc/87/81/37/555878137.db2.gz IZZMSTIQUFAGPF-INIZCTEOSA-N 0 0 433.306 5.055 50 0 IKAARN Cc1sc2nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n(C)c(=O)c2c1C ZINC000003003246 555878146 /nfs/dbraw/zinc/87/81/46/555878146.db2.gz DNRYSECANJABDG-UHFFFAOYSA-N 0 0 447.670 5.198 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1)c1c(F)cccc1F ZINC000034733877 555878423 /nfs/dbraw/zinc/87/84/23/555878423.db2.gz XFRPLXIFDJXVMQ-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1)c1c(F)cccc1F ZINC000034733859 555878469 /nfs/dbraw/zinc/87/84/69/555878469.db2.gz KDYUYDOOOVJNSG-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN C[C@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)C1=O ZINC000034734202 555878749 /nfs/dbraw/zinc/87/87/49/555878749.db2.gz RZXJUHLJPGOCPH-QGZVFWFLSA-N 0 0 435.474 5.610 50 0 IKAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 ZINC000003011617 555879065 /nfs/dbraw/zinc/87/90/65/555879065.db2.gz AOKRXBYQBKYXIW-AZUAARDMSA-N 0 0 444.457 5.421 50 0 IKAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011672 555879311 /nfs/dbraw/zinc/87/93/11/555879311.db2.gz UZGOJTOBRWJVAI-UYAOXDASSA-N 0 0 444.457 5.421 50 0 IKAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011674 555879408 /nfs/dbraw/zinc/87/94/08/555879408.db2.gz UZGOJTOBRWJVAI-ICSRJNTNSA-N 0 0 444.457 5.421 50 0 IKAARN CCOc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 ZINC000003012805 555879641 /nfs/dbraw/zinc/87/96/41/555879641.db2.gz ALAWDGDPEKPIKC-VQTJNVASSA-N 0 0 444.457 5.503 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 ZINC000003012817 555879938 /nfs/dbraw/zinc/87/99/38/555879938.db2.gz LJYHGXUHYGLEGL-MSOLQXFVSA-N 0 0 436.522 5.796 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012850 555879976 /nfs/dbraw/zinc/87/99/76/555879976.db2.gz HKFBHCHIJUOPSX-UKRRQHHQSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012873 555879995 /nfs/dbraw/zinc/87/99/95/555879995.db2.gz LCFBKBPNDGPVOP-UKRRQHHQSA-N 0 0 444.335 5.408 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012842 555880010 /nfs/dbraw/zinc/88/00/10/555880010.db2.gz JYGHPBDHKZMLTL-HIFRSBDPSA-N 0 0 445.228 5.696 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4cccs4)cc3)C2=O)cc1 ZINC000034734644 555880286 /nfs/dbraw/zinc/88/02/86/555880286.db2.gz NDEULCBKVQCQBT-UHFFFAOYSA-N 0 0 433.577 5.956 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)cc1 ZINC000034734633 555880302 /nfs/dbraw/zinc/88/03/02/555880302.db2.gz XVVCZTNCBPCTNR-UHFFFAOYSA-N 0 0 445.538 6.034 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(C(C)C)cc4)C3=O)cc2)c1 ZINC000034734686 555880329 /nfs/dbraw/zinc/88/03/29/555880329.db2.gz XGKHVIXOIOPCGE-UHFFFAOYSA-N 0 0 441.575 6.203 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)OCc4ccccc4)cc3)C2=O)c1 ZINC000034734821 555880578 /nfs/dbraw/zinc/88/05/78/555880578.db2.gz AJRDHYRVWYHRKX-UHFFFAOYSA-N 0 0 443.547 5.884 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)c4cccc(F)c4)cc3)C2=O)c1 ZINC000034734790 555880589 /nfs/dbraw/zinc/88/05/89/555880589.db2.gz BPANCEIRRNBSSQ-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)c1 ZINC000034734771 555880592 /nfs/dbraw/zinc/88/05/92/555880592.db2.gz OCOQZGFZFDSATK-UHFFFAOYSA-N 0 0 445.538 5.456 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2cccc(F)c2)C1=O)c1ccccc1Cl ZINC000034734958 555881164 /nfs/dbraw/zinc/88/11/64/555881164.db2.gz XFFIWUMHCODSLS-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O ZINC000034735021 555881184 /nfs/dbraw/zinc/88/11/84/555881184.db2.gz TUOZDJBASKHZBC-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2ccc(F)c(F)c2)C1=O)c1cccs1 ZINC000034735058 555881190 /nfs/dbraw/zinc/88/11/90/555881190.db2.gz XFVZNBQDXUBOBV-UHFFFAOYSA-N 0 0 427.476 5.111 50 0 IKAARN Cc1ccccc1C(=O)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003019115 555881486 /nfs/dbraw/zinc/88/14/86/555881486.db2.gz YYVBKTJGOKVSOE-OAHLLOKOSA-N 0 0 427.542 5.807 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)c4cccc(Br)c4)ccc3Cl)nc2c1 ZINC000003025343 555881797 /nfs/dbraw/zinc/88/17/97/555881797.db2.gz IJQZOQKNULYTIY-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN FC(F)(F)Oc1ccc(-c2noc(CSc3ccc(Br)cc3)n2)cc1 ZINC000003046121 555882686 /nfs/dbraw/zinc/88/26/86/555882686.db2.gz WHERGGDBQTZUHY-UHFFFAOYSA-N 0 0 431.233 5.690 50 0 IKAARN Cc1sc(Nc2ccccc2N2CCOCC2)nc1-c1ccc(-c2ccccc2F)cc1 ZINC000003046003 555882709 /nfs/dbraw/zinc/88/27/09/555882709.db2.gz BTRRVOYXNOWTFU-UHFFFAOYSA-N 0 0 445.563 6.505 50 0 IKAARN Cc1ccc(O)c(NC(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)c1 ZINC000003056934 555883239 /nfs/dbraw/zinc/88/32/39/555883239.db2.gz GWAPOBZQZAUVDZ-UHFFFAOYSA-N 0 0 446.816 5.335 50 0 IKAARN Cc1ccc(N(C(=O)Nc2ccccc2Cl)[C@@H](CC(=O)C2CC2)c2ccccc2)cc1 ZINC000003078661 555884798 /nfs/dbraw/zinc/88/47/98/555884798.db2.gz XXQVGZJVAYFRSD-DEOSSOPVSA-N 0 0 432.951 6.797 50 0 IKAARN COc1cccc(CC(=O)Nc2cccc(N3CCCN(Cc4ccc(C)cc4)C3=O)c2)c1 ZINC000034735303 555885133 /nfs/dbraw/zinc/88/51/33/555885133.db2.gz GBGDMGVHRDJCCA-UHFFFAOYSA-N 0 0 443.547 5.017 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3ccccc3Cl)C2=O)c1)c1ccc(F)cc1 ZINC000034735334 555885463 /nfs/dbraw/zinc/88/54/63/555885463.db2.gz CTHPOXGZKRBYSA-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)c1 ZINC000034735529 555885492 /nfs/dbraw/zinc/88/54/92/555885492.db2.gz IFCAQXBDHAEYAK-UHFFFAOYSA-N 0 0 445.538 5.456 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)c1)c1ccc(F)cc1 ZINC000034735416 555885551 /nfs/dbraw/zinc/88/55/51/555885551.db2.gz WHXGWHWYXROMEP-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)Cc4ccccc4)c3)C2=O)c1 ZINC000034735557 555885750 /nfs/dbraw/zinc/88/57/50/555885750.db2.gz LVMHYPXDDJGEIW-UHFFFAOYSA-N 0 0 427.548 5.317 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3F)C2=O)c(NC(=O)c2cccc(F)c2)c1 ZINC000034735680 555885792 /nfs/dbraw/zinc/88/57/92/555885792.db2.gz BKDIYUAHLRSMER-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000034735767 555886109 /nfs/dbraw/zinc/88/61/09/555886109.db2.gz ISQCDPSZHJFNQA-UHFFFAOYSA-N 0 0 431.511 5.148 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)Cc3ccc(F)cc3)C2=O)c1 ZINC000034735865 555886136 /nfs/dbraw/zinc/88/61/36/555886136.db2.gz PRCUIFJRFASVSI-UHFFFAOYSA-N 0 0 445.538 5.456 50 0 IKAARN CC[C@H](C(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccccc2)C1=O)c1ccccc1 ZINC000034735792 555886156 /nfs/dbraw/zinc/88/61/56/555886156.db2.gz ZOHLGYAVNRYBGO-DEOSSOPVSA-N 0 0 441.575 5.960 50 0 IKAARN Cc1ccc(N2CCCN(Cc3c(F)cccc3F)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034736070 555886409 /nfs/dbraw/zinc/88/64/09/555886409.db2.gz BLZPBMJPPIIIJM-UHFFFAOYSA-N 0 0 429.511 5.480 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)Cc2ccccc2)c1 ZINC000034736125 555886411 /nfs/dbraw/zinc/88/64/11/555886411.db2.gz RSVNEHVSVQGWTC-UHFFFAOYSA-N 0 0 449.501 5.287 50 0 IKAARN COc1cccc(C(=O)Nc2cc(C)ccc2N2CCCN(Cc3ccccc3C)C2=O)c1 ZINC000034735982 555886448 /nfs/dbraw/zinc/88/64/48/555886448.db2.gz GSFRTKVGZIBVNB-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)c1 ZINC000034736737 555886991 /nfs/dbraw/zinc/88/69/91/555886991.db2.gz GPPGFFRXNPAYTB-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)c1 ZINC000034736859 555887403 /nfs/dbraw/zinc/88/74/03/555887403.db2.gz IDZLLWLSZSOAFD-UHFFFAOYSA-N 0 0 433.577 5.378 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(C)cc3NC(=O)c3cccs3)C2=O)c1 ZINC000034736947 555887624 /nfs/dbraw/zinc/88/76/24/555887624.db2.gz KWHOFSCKJXPCKR-UHFFFAOYSA-N 0 0 433.577 5.758 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NC(=O)c2cccs2)c1 ZINC000034736919 555887683 /nfs/dbraw/zinc/88/76/83/555887683.db2.gz SSDDQBCUIFHGPV-UHFFFAOYSA-N 0 0 439.968 5.795 50 0 IKAARN O=C(c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)c1ccccc1)c1ccccc1 ZINC000003107482 555887946 /nfs/dbraw/zinc/88/79/46/555887946.db2.gz BNBLXCCVBIAOEC-UHFFFAOYSA-N 0 0 428.487 7.076 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3F)C2=O)c(NC(=O)Nc2ccccc2)c1 ZINC000034737268 555888206 /nfs/dbraw/zinc/88/82/06/555888206.db2.gz AIJWUZHNUMAPHX-UHFFFAOYSA-N 0 0 432.499 5.610 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3F)C2=O)c(NC(=O)NCc2ccccc2)c1 ZINC000034737270 555888224 /nfs/dbraw/zinc/88/82/24/555888224.db2.gz POFJDBZVOGAQGZ-UHFFFAOYSA-N 0 0 446.526 5.288 50 0 IKAARN COc1cccc(NC(=O)Nc2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)c1 ZINC000034737177 555888231 /nfs/dbraw/zinc/88/82/31/555888231.db2.gz RPDKCAJVBJLDOK-UHFFFAOYSA-N 0 0 430.508 5.172 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C)cc3NC(=O)NCc3ccccc3)C2=O)cc1 ZINC000034737299 555888264 /nfs/dbraw/zinc/88/82/64/555888264.db2.gz WFBVGHVXVRVQJS-UHFFFAOYSA-N 0 0 442.563 5.457 50 0 IKAARN Cc1ccc(N2CCCN([C@H](C)c3ccccc3)C2=O)c(NC(=O)NCc2ccccc2)c1 ZINC000034737378 555888276 /nfs/dbraw/zinc/88/82/76/555888276.db2.gz SGKSFWFFWXEBNW-OAQYLSRUSA-N 0 0 442.563 5.710 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)NCc2ccccc2)c1 ZINC000034737307 555888279 /nfs/dbraw/zinc/88/82/79/555888279.db2.gz ZJPMKSSCGZUZRG-UHFFFAOYSA-N 0 0 442.563 5.457 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)Nc2ccccc2)c1 ZINC000034737304 555888295 /nfs/dbraw/zinc/88/82/95/555888295.db2.gz UMFQQAPTHAGEID-UHFFFAOYSA-N 0 0 428.536 5.780 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(N3CCCN(Cc4cc(C)ccc4C)C3=O)c2)cc1 ZINC000034737486 555888468 /nfs/dbraw/zinc/88/84/68/555888468.db2.gz LTKNHOMXMJMXHC-UHFFFAOYSA-N 0 0 442.563 6.088 50 0 IKAARN COc1ccc(C(=O)N[C@@H](Sc2nc3ccccc3o2)C(Cl)(Cl)Cl)cc1 ZINC000003121955 555889047 /nfs/dbraw/zinc/88/90/47/555889047.db2.gz PIAHQZUGLWTIEC-HNNXBMFYSA-N 0 0 431.728 5.055 50 0 IKAARN CC(C)(C)c1cc2nc(C(F)(F)F)cc(SCCOC(=O)Nc3ccccc3)n2n1 ZINC000003127056 555889685 /nfs/dbraw/zinc/88/96/85/555889685.db2.gz OAMZRZUITJSTCC-UHFFFAOYSA-N 0 0 438.475 5.386 50 0 IKAARN O=C(Oc1ccc(Oc2ccc(OC(=O)c3ccccc3F)cc2)cc1)c1ccccc1F ZINC000003129961 555889942 /nfs/dbraw/zinc/88/99/42/555889942.db2.gz IPJPRJVRRCFINP-UHFFFAOYSA-N 0 0 446.405 6.196 50 0 IKAARN Clc1ccc(-c2nnc(Cc3cc(Br)sc3Br)o2)cc1 ZINC000003129604 555889962 /nfs/dbraw/zinc/88/99/62/555889962.db2.gz PBYOZPXMKQYDOJ-UHFFFAOYSA-N 0 0 434.540 5.567 50 0 IKAARN COc1cc(OC)c(NC(=O)[C@@H](Sc2ccc(Cl)cc2)c2ccccc2)cc1Cl ZINC000003135210 555890889 /nfs/dbraw/zinc/89/08/89/555890889.db2.gz MHLXGQHBAXVXOU-NRFANRHFSA-N 0 0 448.371 6.483 50 0 IKAARN Cc1nc(-c2ccc(-c3cccs3)s2)sc1-c1ccnn1C(=O)c1cccs1 ZINC000003138209 555891086 /nfs/dbraw/zinc/89/10/86/555891086.db2.gz HLSAGCUOJVZBQB-UHFFFAOYSA-N 0 0 439.612 6.522 50 0 IKAARN FC(F)(F)COc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)cn1 ZINC000003138431 555891129 /nfs/dbraw/zinc/89/11/29/555891129.db2.gz VSEJKGBSOIPOHF-UHFFFAOYSA-N 0 0 436.242 5.672 50 0 IKAARN FC(F)(F)c1ccc(N2CCCC2)c(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000003138205 555891153 /nfs/dbraw/zinc/89/11/53/555891153.db2.gz KKEJDWXHUCZSOR-UHFFFAOYSA-N 0 0 434.314 6.421 50 0 IKAARN Cc1nn(C(=O)c2c(Cl)cccc2Cl)c(C)c1Cc1c(Cl)cccc1Cl ZINC000003170934 555893929 /nfs/dbraw/zinc/89/39/29/555893929.db2.gz RTSSNSOBNGMXMH-UHFFFAOYSA-N 0 0 428.146 6.393 50 0 IKAARN Cc1nn(C(=O)C(c2ccccc2)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000003185321 555895390 /nfs/dbraw/zinc/89/53/90/555895390.db2.gz LXHJGLJNGBNPNO-UHFFFAOYSA-N 0 0 432.976 6.777 50 0 IKAARN CC1CCN(C(=O)Nc2c(N)n(-c3cc(F)ccc3F)nc2-c2ccc(Cl)cc2)CC1 ZINC000034785750 555896256 /nfs/dbraw/zinc/89/62/56/555896256.db2.gz DIVNFCZOBDVPSN-UHFFFAOYSA-N 0 0 445.901 5.317 50 0 IKAARN C[C@H](NC(=O)Nc1c(N)n(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000034785445 555896263 /nfs/dbraw/zinc/89/62/63/555896263.db2.gz INEZRGQFXMTHJT-KRWDZBQOSA-N 0 0 445.954 5.717 50 0 IKAARN CC[C@@H](C)NC(=O)Nc1c(N)n(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(OC)cc1 ZINC000034785961 555896598 /nfs/dbraw/zinc/89/65/98/555896598.db2.gz DVGHGVQYNRXZEX-CYBMUJFWSA-N 0 0 447.461 5.069 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cnn2c1nccc2-c1ccccc1Cl ZINC000034786132 555896643 /nfs/dbraw/zinc/89/66/43/555896643.db2.gz LTFGHHKSVYDWJG-UHFFFAOYSA-N 0 0 445.737 5.329 50 0 IKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000003202909 555898061 /nfs/dbraw/zinc/89/80/61/555898061.db2.gz JKMZYSFVDRMKHX-UHFFFAOYSA-N 0 0 425.551 7.421 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)c3ccc(Cl)cc3)cccc12)c1ccc(Cl)cc1 ZINC000003204143 555898109 /nfs/dbraw/zinc/89/81/09/555898109.db2.gz FRQGQARJSKCUHX-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN Cc1ccsc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034755493 555900420 /nfs/dbraw/zinc/90/04/20/555900420.db2.gz BHPIXYMAKGHQOV-UHFFFAOYSA-N 0 0 438.572 5.327 50 0 IKAARN Fc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cc1F ZINC000034755978 555901037 /nfs/dbraw/zinc/90/10/37/555901037.db2.gz ZFEDLGJCBLJUOO-UHFFFAOYSA-N 0 0 436.506 5.096 50 0 IKAARN Cc1ccsc1CN1CCc2nc(N3CCCCC3)nc(Oc3cccc(F)c3)c2C1 ZINC000034755733 555901109 /nfs/dbraw/zinc/90/11/09/555901109.db2.gz JBJGGLUXEBFBOK-UHFFFAOYSA-N 0 0 438.572 5.327 50 0 IKAARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000003225251 555903174 /nfs/dbraw/zinc/90/31/74/555903174.db2.gz GYUNJTQMRRNFQX-UHFFFAOYSA-N 0 0 439.147 5.818 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccc(F)cc3F)[C@H](C)C1)=N2 ZINC000034812786 555909718 /nfs/dbraw/zinc/90/97/18/555909718.db2.gz WEEDQISTENCYAD-QGZVFWFLSA-N 0 0 447.485 5.304 50 0 IKAARN COc1ccc(Nc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000003254643 555909831 /nfs/dbraw/zinc/90/98/31/555909831.db2.gz SVZNCPQHVLGJAI-UHFFFAOYSA-N 0 0 440.908 5.580 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccccc3)[C@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813367 555910092 /nfs/dbraw/zinc/91/00/92/555910092.db2.gz ZYNJQGLRTMEWBG-LJQANCHMSA-N 0 0 441.531 5.034 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)Cc3ccccc3)[C@H](C)C1)=N2 ZINC000034813770 555910694 /nfs/dbraw/zinc/91/06/94/555910694.db2.gz NCDCCYVGCWADBA-OAQYLSRUSA-N 0 0 439.559 5.263 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Nc3ccccc3F)CC1)=Nc1ccccc1O2 ZINC000034814367 555910945 /nfs/dbraw/zinc/91/09/45/555910945.db2.gz HQNGWJUNVZRODS-UHFFFAOYSA-N 0 0 430.483 5.168 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)NCc3ccccc3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034814396 555910956 /nfs/dbraw/zinc/91/09/56/555910956.db2.gz PNQSSHFYKDOABH-HXUWFJFHSA-N 0 0 440.547 5.095 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccc(C)cc43)C[C@H]2C)cc1 ZINC000034814395 555911040 /nfs/dbraw/zinc/91/10/40/555911040.db2.gz UVXMKGACCPVPJJ-HXUWFJFHSA-N 0 0 440.547 5.726 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831671 555912724 /nfs/dbraw/zinc/91/27/24/555912724.db2.gz KQAIJWDRCCXAAM-NRFANRHFSA-N 0 0 446.554 5.814 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000034832944 555912893 /nfs/dbraw/zinc/91/28/93/555912893.db2.gz FNUSXMPPNWGDIP-UHFFFAOYSA-N 0 0 448.526 5.310 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccccc2OC)n2nc(C)c(-c3ccccc3)c2n1 ZINC000034833086 555912908 /nfs/dbraw/zinc/91/29/08/555912908.db2.gz UTNBBMOUMYLXMU-UHFFFAOYSA-N 0 0 428.536 5.300 50 0 IKAARN CCCN(CCC)C(=O)c1cc(-c2ccccc2OC)n2nc(C)c(-c3ccccc3)c2n1 ZINC000034833048 555912947 /nfs/dbraw/zinc/91/29/47/555912947.db2.gz KFQNMTSUQKHLLM-UHFFFAOYSA-N 0 0 442.563 5.643 50 0 IKAARN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833484 555913299 /nfs/dbraw/zinc/91/32/99/555913299.db2.gz MYEMVWBYXCMSJQ-QGZVFWFLSA-N 0 0 428.536 5.193 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)n2nc(-c3ccccc3)cc2n1 ZINC000034834079 555913553 /nfs/dbraw/zinc/91/35/53/555913553.db2.gz HEUWVLMAKGOHRH-IBGZPJMESA-N 0 0 448.526 5.563 50 0 IKAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3F)cc21 ZINC000034836068 555914274 /nfs/dbraw/zinc/91/42/74/555914274.db2.gz GOXJUWWXCLYSJM-UHFFFAOYSA-N 0 0 430.479 5.235 50 0 IKAARN O=C(NCc1ccccc1)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000034837626 555914582 /nfs/dbraw/zinc/91/45/82/555914582.db2.gz AJUHVGAFAPKGTQ-UHFFFAOYSA-N 0 0 436.559 5.019 50 0 IKAARN O=C(c1cn2c(n1)CC[C@H](c1ccccc1)C2)N(CCc1ccccc1)Cc1ccccc1 ZINC000034839967 555914871 /nfs/dbraw/zinc/91/48/71/555914871.db2.gz WPJHSWDBSWTVIJ-SANMLTNESA-N 0 0 435.571 5.498 50 0 IKAARN CCCCCCC(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2cccc(F)c2)CC1 ZINC000034847968 555915339 /nfs/dbraw/zinc/91/53/39/555915339.db2.gz HAPOIVQVSDWFHI-UHFFFAOYSA-N 0 0 440.607 5.086 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000034796957 555918137 /nfs/dbraw/zinc/91/81/37/555918137.db2.gz QQFZMOBVLBJVDI-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1C1CC1)Nc1cccc(Cl)c1Cl ZINC000034796605 555918146 /nfs/dbraw/zinc/91/81/46/555918146.db2.gz ZNIZEJLUBNKTAC-UHFFFAOYSA-N 0 0 431.279 5.634 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000034797005 555918315 /nfs/dbraw/zinc/91/83/15/555918315.db2.gz XYDSWVPHEASWBX-MHZLTWQESA-N 0 0 444.600 6.232 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000034797025 555918344 /nfs/dbraw/zinc/91/83/44/555918344.db2.gz SGPIQZZQTIKKCO-MHZLTWQESA-N 0 0 444.600 6.160 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)c2)cc1 ZINC000034797016 555918412 /nfs/dbraw/zinc/91/84/12/555918412.db2.gz SUFVQOZLCQDOPM-SANMLTNESA-N 0 0 430.573 6.149 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000034796997 555918420 /nfs/dbraw/zinc/91/84/20/555918420.db2.gz SGIWFSVAVPGMJG-VWLOTQADSA-N 0 0 434.536 5.809 50 0 IKAARN COc1ccc(-c2ccc3nc(-c4ccc(OC(C)=O)c(OC)c4)oc3c2)c(OC)c1OC ZINC000034904461 555919004 /nfs/dbraw/zinc/91/90/04/555919004.db2.gz SNDLQHQFUFPHJI-UHFFFAOYSA-N 0 0 449.459 5.122 50 0 IKAARN CCCCOC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc21 ZINC000003321849 555919542 /nfs/dbraw/zinc/91/95/42/555919542.db2.gz NLRDUKVECMQJGX-UHFFFAOYSA-N 0 0 429.307 5.420 50 0 IKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000034907158 555920630 /nfs/dbraw/zinc/92/06/30/555920630.db2.gz SYLOLGLSVORNDM-UHFFFAOYSA-N 0 0 431.367 5.323 50 0 IKAARN O=C(c1cccc(Br)c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907696 555920996 /nfs/dbraw/zinc/92/09/96/555920996.db2.gz BBOXMAUNPHQMFL-NRFANRHFSA-N 0 0 447.332 6.235 50 0 IKAARN COc1ccc(CC(=O)N2CCC[C@H]2c2nc3cc(-c4cccc(C)c4)ccc3o2)cc1 ZINC000034907836 555921062 /nfs/dbraw/zinc/92/10/62/555921062.db2.gz RUFKBBVUKZGFQL-DEOSSOPVSA-N 0 0 426.516 5.718 50 0 IKAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3cc(-c4cccc(C)c4)ccc3o2)cc1 ZINC000034907837 555921105 /nfs/dbraw/zinc/92/11/05/555921105.db2.gz RUFKBBVUKZGFQL-XMMPIXPASA-N 0 0 426.516 5.718 50 0 IKAARN COc1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccc(Cl)cc4)nc3c2)cc1 ZINC000034907897 555921231 /nfs/dbraw/zinc/92/12/31/555921231.db2.gz JXTSAJXMDCFCKK-JOCHJYFZSA-N 0 0 432.907 6.134 50 0 IKAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908110 555921242 /nfs/dbraw/zinc/92/12/42/555921242.db2.gz FNISANJYECYQNZ-HSZRJFAPSA-N 0 0 432.470 6.069 50 0 IKAARN O=C(c1ccccc1Cl)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034907999 555921258 /nfs/dbraw/zinc/92/12/58/555921258.db2.gz MXCCVWWJAIDTRO-NRFANRHFSA-N 0 0 438.861 6.404 50 0 IKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)Cc4ccc(F)cc4)nc3c2)ccc1F ZINC000034908077 555921276 /nfs/dbraw/zinc/92/12/76/555921276.db2.gz AVMYNVDPBSOPRR-HSZRJFAPSA-N 0 0 432.470 5.988 50 0 IKAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1 ZINC000034908112 555921358 /nfs/dbraw/zinc/92/13/58/555921358.db2.gz GKUSSCLXLOCOBZ-HSZRJFAPSA-N 0 0 448.469 5.688 50 0 IKAARN COc1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccc(Cl)cc4)nc3c2)cc1 ZINC000034907896 555921365 /nfs/dbraw/zinc/92/13/65/555921365.db2.gz JXTSAJXMDCFCKK-QFIPXVFZSA-N 0 0 432.907 6.134 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)c1 ZINC000034908029 555921372 /nfs/dbraw/zinc/92/13/72/555921372.db2.gz QBUSJYWDOIFPRI-QFIPXVFZSA-N 0 0 434.442 5.759 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)Cc4ccccc4)nc3c2)cc1 ZINC000034908281 555921489 /nfs/dbraw/zinc/92/14/89/555921489.db2.gz SATAQZPBTRYBSS-XMMPIXPASA-N 0 0 425.532 5.467 50 0 IKAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908126 555921531 /nfs/dbraw/zinc/92/15/31/555921531.db2.gz UXAQLLJWRGXFKB-FQEVSTJZSA-N 0 0 448.425 5.479 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)Cc4cccs4)nc3c2)cc1 ZINC000034908299 555921574 /nfs/dbraw/zinc/92/15/74/555921574.db2.gz YCBPTVRQIXTOBD-JOCHJYFZSA-N 0 0 431.561 5.529 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4)ccc3o2)c(C)c1 ZINC000034908493 555921861 /nfs/dbraw/zinc/92/18/61/555921861.db2.gz MGXYVTXLLSZAHE-QHCPKHFHSA-N 0 0 429.495 6.620 50 0 IKAARN O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908359 555921872 /nfs/dbraw/zinc/92/18/72/555921872.db2.gz OKGFCRXGYUJFMZ-OAQYLSRUSA-N 0 0 442.481 6.757 50 0 IKAARN CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908365 555921942 /nfs/dbraw/zinc/92/19/42/555921942.db2.gz UKVQYGUQGMZFRC-IBGZPJMESA-N 0 0 430.470 6.613 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)c3cccc(Cl)c3)nc2c1 ZINC000034908461 555921960 /nfs/dbraw/zinc/92/19/60/555921960.db2.gz CSGCYLBWIQRKQW-OAQYLSRUSA-N 0 0 432.907 6.134 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1 ZINC000034908658 555922108 /nfs/dbraw/zinc/92/21/08/555922108.db2.gz WUUVYOCDQSNRTC-JOCHJYFZSA-N 0 0 433.458 6.450 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4C)ccc3o2)cc1 ZINC000034908584 555922115 /nfs/dbraw/zinc/92/21/15/555922115.db2.gz QOMBCDUJDNPDNI-XMMPIXPASA-N 0 0 441.531 6.571 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1C ZINC000034908758 555922445 /nfs/dbraw/zinc/92/24/45/555922445.db2.gz VDDZJOVVIWUHDV-HSZRJFAPSA-N 0 0 447.485 6.759 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1 ZINC000034908740 555922475 /nfs/dbraw/zinc/92/24/75/555922475.db2.gz SJBDQISESLGDSE-HSZRJFAPSA-N 0 0 447.485 6.704 50 0 IKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000034909045 555922663 /nfs/dbraw/zinc/92/26/63/555922663.db2.gz CUMHNIIXPBMQJM-JOCHJYFZSA-N 0 0 436.508 5.468 50 0 IKAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034909010 555922719 /nfs/dbraw/zinc/92/27/19/555922719.db2.gz UNBJXQXDQSVAOU-JOCHJYFZSA-N 0 0 434.517 5.029 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3F)nc2c1 ZINC000034908955 555922726 /nfs/dbraw/zinc/92/27/26/555922726.db2.gz JSQDFKFKHLYXQP-NRFANRHFSA-N 0 0 449.457 6.151 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908989 555922738 /nfs/dbraw/zinc/92/27/38/555922738.db2.gz ZBUWANUYGYRJEF-OAQYLSRUSA-N 0 0 438.936 5.674 50 0 IKAARN Cc1ccccc1-n1nc(C(=O)N[C@H]2CCCc3ccccc32)nc1CCc1ccccc1 ZINC000034911852 555923702 /nfs/dbraw/zinc/92/37/02/555923702.db2.gz OFHOSJLBJGNBSP-DEOSSOPVSA-N 0 0 436.559 5.168 50 0 IKAARN O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)N1CCc2ccccc21 ZINC000034880018 555926382 /nfs/dbraw/zinc/92/63/82/555926382.db2.gz JLKQBOVEYGDYSW-JCMHNJIXSA-N 0 0 435.882 5.152 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000003361477 555926672 /nfs/dbraw/zinc/92/66/72/555926672.db2.gz WNDQAZHYOUHWAH-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN O=C(NCCc1ccccc1)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898938 555928341 /nfs/dbraw/zinc/92/83/41/555928341.db2.gz CJDGBGOSRMYDLA-HSZRJFAPSA-N 0 0 437.543 5.378 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898971 555928344 /nfs/dbraw/zinc/92/83/44/555928344.db2.gz OWPCOKGLMZVARL-OAQYLSRUSA-N 0 0 441.506 5.475 50 0 IKAARN CCN(CC)C(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899100 555928568 /nfs/dbraw/zinc/92/85/68/555928568.db2.gz FODBGCOAZZZNCQ-LBPRGKRZSA-N 0 0 433.396 5.133 50 0 IKAARN CCn1nc(C(=O)N2CCN([C@H](C)c3ccccc3)CC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902079 555929234 /nfs/dbraw/zinc/92/92/34/555929234.db2.gz QRICUEGJUXATQW-OAQYLSRUSA-N 0 0 444.623 5.387 50 0 IKAARN COc1ccc(-c2nc3ccccn3c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000034915088 555929992 /nfs/dbraw/zinc/92/99/92/555929992.db2.gz VBDHNWSTYRMXJG-UHFFFAOYSA-N 0 0 426.398 5.673 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034914960 555930004 /nfs/dbraw/zinc/93/00/04/555930004.db2.gz GOMCJSKZVDNDQF-UHFFFAOYSA-N 0 0 432.257 6.147 50 0 IKAARN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1)c1ccc(Br)cc1 ZINC000034915666 555930266 /nfs/dbraw/zinc/93/02/66/555930266.db2.gz APDNBEGHKMAHFI-INIZCTEOSA-N 0 0 446.348 5.997 50 0 IKAARN CCCC[C@@H](CC)C(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921292 555931564 /nfs/dbraw/zinc/93/15/64/555931564.db2.gz LRQUPKKEXRGYQT-LJQANCHMSA-N 0 0 447.572 5.301 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)C(C)(C)C)ccc1N(C)C)C(=O)C(C)(C)C ZINC000034921564 555932033 /nfs/dbraw/zinc/93/20/33/555932033.db2.gz IFABZKRAZLXXLP-LJQANCHMSA-N 0 0 437.628 5.873 50 0 IKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Nc2ccc(SC)cc2)no1 ZINC000034922393 555932624 /nfs/dbraw/zinc/93/26/24/555932624.db2.gz MTXBLEICICDGIW-UHFFFAOYSA-N 0 0 449.532 5.899 50 0 IKAARN Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)NCc2cccc(F)c2)cc1 ZINC000034922121 555932708 /nfs/dbraw/zinc/93/27/08/555932708.db2.gz LXWPYXPHUSUKDG-UHFFFAOYSA-N 0 0 426.495 5.289 50 0 IKAARN CCC(=O)N(Cc1cccn1Cc1csc(-c2ccc(OC)cc2)n1)C1CCCCC1 ZINC000034924043 555932900 /nfs/dbraw/zinc/93/29/00/555932900.db2.gz YNGWULJEFQDHEE-UHFFFAOYSA-N 0 0 437.609 5.740 50 0 IKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21)c1ccc(C(F)(F)F)cc1 ZINC000034913008 555934495 /nfs/dbraw/zinc/93/44/95/555934495.db2.gz CVZUVQOFYYYCDL-UHFFFAOYSA-N 0 0 449.354 6.291 50 0 IKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)CSc2ccccc2)cc1OC ZINC000034912589 555934568 /nfs/dbraw/zinc/93/45/68/555934568.db2.gz QWPHHMSIEQHELL-UHFFFAOYSA-N 0 0 433.533 5.058 50 0 IKAARN CCc1cc2c(cc1-c1csc(Nc3ccccc3Cl)n1)C(C)(C)CCC2(C)C ZINC000003466847 555935908 /nfs/dbraw/zinc/93/59/08/555935908.db2.gz OAJXKWZEXDHMKQ-UHFFFAOYSA-N 0 0 425.041 8.119 50 0 IKAARN CC(C)c1cc(I)ccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000003463085 555936014 /nfs/dbraw/zinc/93/60/14/555936014.db2.gz KYZKRFFORLNLAA-UHFFFAOYSA-N 0 0 449.332 5.311 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OCc1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000003467826 555936277 /nfs/dbraw/zinc/93/62/77/555936277.db2.gz LAGRZGLAURKXHS-UHFFFAOYSA-N 0 0 430.209 7.021 50 0 IKAARN O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000003618180 555941169 /nfs/dbraw/zinc/94/11/69/555941169.db2.gz MTPDBPKFWDCGJO-LJQANCHMSA-N 0 0 443.366 5.285 50 0 biogenic,in-vitro IKAARN Clc1ccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cc1 ZINC000003627232 555941451 /nfs/dbraw/zinc/94/14/51/555941451.db2.gz YYXIDLSJZPYENY-UHFFFAOYSA-N 0 0 439.009 5.914 50 0 IKAARN Cc1ccccc1Cc1c(C)nc2nc(SCc3c(F)cccc3Cl)nn2c1C ZINC000003631638 555941758 /nfs/dbraw/zinc/94/17/58/555941758.db2.gz XHYBORGJRWGOPW-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN Cc1nc2nc(SCc3ccccc3Cl)nn2c(C)c1Cc1ccc(Cl)cc1 ZINC000003631788 555942050 /nfs/dbraw/zinc/94/20/50/555942050.db2.gz ZXBDUSPGQRMZPD-UHFFFAOYSA-N 0 0 429.376 5.931 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000003636402 555942493 /nfs/dbraw/zinc/94/24/93/555942493.db2.gz GSQAXZAJAWRJSG-HSZRJFAPSA-N 0 0 448.588 5.378 50 0 IKAARN COc1cc2c(cc1NC(=O)CC1c3ccccc3Oc3ccccc31)oc1ccccc12 ZINC000003638924 555942782 /nfs/dbraw/zinc/94/27/82/555942782.db2.gz DMYVSKNBASEBDP-UHFFFAOYSA-N 0 0 435.479 6.861 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccccc1Cl ZINC000003640059 555942993 /nfs/dbraw/zinc/94/29/93/555942993.db2.gz OFVGVXUGNUIOJL-UHFFFAOYSA-N 0 0 448.972 5.201 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)Nc1ccc(Br)cc1-2 ZINC000003640762 555943001 /nfs/dbraw/zinc/94/30/01/555943001.db2.gz YYLXQXHOHAVPOP-INIZCTEOSA-N 0 0 433.306 5.055 50 0 IKAARN CCOC(=O)c1ccc(COc2nc3ccccc3nc2-c2ccccc2NC(C)=O)cc1 ZINC000003644849 555943301 /nfs/dbraw/zinc/94/33/01/555943301.db2.gz WHQJBGDHMOVNKG-UHFFFAOYSA-N 0 0 441.487 5.011 50 0 IKAARN Cc1ccc(C)c([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000003640808 555943362 /nfs/dbraw/zinc/94/33/62/555943362.db2.gz IMKAGEHTFPEHHD-QHCPKHFHSA-N 0 0 426.545 5.951 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1 ZINC000003642152 555943364 /nfs/dbraw/zinc/94/33/64/555943364.db2.gz KXQSBVVLWTYKAX-UHFFFAOYSA-N 0 0 445.444 6.782 50 0 IKAARN COc1cc2c(cc1NC(=O)COc1ccc(Br)cc1C)oc1ccccc12 ZINC000003642239 555943399 /nfs/dbraw/zinc/94/33/99/555943399.db2.gz BYFIBMAOFJQYFH-UHFFFAOYSA-N 0 0 440.293 5.683 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(C)=O)c1ccccc1-2 ZINC000003653377 555943870 /nfs/dbraw/zinc/94/38/70/555943870.db2.gz GVSDJENQEQQQKW-QHCPKHFHSA-N 0 0 434.565 5.573 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccsc2)Nc2ccccc2-3)cc1 ZINC000003655196 555944339 /nfs/dbraw/zinc/94/43/39/555944339.db2.gz GABHXAZPKQVVGN-IBGZPJMESA-N 0 0 438.965 6.049 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@H](c2ccsc2)Nc2ccccc2-3)cc1 ZINC000003655197 555944351 /nfs/dbraw/zinc/94/43/51/555944351.db2.gz GABHXAZPKQVVGN-LJQANCHMSA-N 0 0 438.965 6.049 50 0 IKAARN CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1 ZINC000003656655 555944353 /nfs/dbraw/zinc/94/43/53/555944353.db2.gz PBYSARALJYMGME-UHFFFAOYSA-N 0 0 442.559 5.435 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1c1ccc2ccccc2c1 ZINC000003663898 555944796 /nfs/dbraw/zinc/94/47/96/555944796.db2.gz SWRZAFUFPIBUEP-QHCPKHFHSA-N 0 0 429.317 6.373 50 0 IKAARN Fc1cccc(-c2nnc(SCc3ccc(F)c4ccccc34)n2-c2ccccc2)c1 ZINC000003667368 555945184 /nfs/dbraw/zinc/94/51/84/555945184.db2.gz AWYMVEBKPOAUAQ-UHFFFAOYSA-N 0 0 429.495 6.658 50 0 IKAARN CCCCOc1ccc([C@@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000003668661 555945222 /nfs/dbraw/zinc/94/52/22/555945222.db2.gz HYJKTEOFDOGPGQ-MHZLTWQESA-N 0 0 426.560 6.566 50 0 IKAARN CC(C)c1ccc([C@H]2CC(=Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000003670063 555945389 /nfs/dbraw/zinc/94/53/89/555945389.db2.gz ISWSLZYHGGNYOV-XMMPIXPASA-N 0 0 437.370 7.201 50 0 IKAARN Cc1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1-c1ccccc1 ZINC000003766638 555945989 /nfs/dbraw/zinc/94/59/89/555945989.db2.gz SQNJTZYMOIUWGV-UHFFFAOYSA-N 0 0 432.243 6.153 50 0 IKAARN O=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000003764990 555946008 /nfs/dbraw/zinc/94/60/08/555946008.db2.gz AKSIHCCITXXWPE-UHFFFAOYSA-N 0 0 438.930 5.910 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3C)o2)cc1Cl ZINC000003764489 555946066 /nfs/dbraw/zinc/94/60/66/555946066.db2.gz YKWDRXVITKQQNM-UHFFFAOYSA-N 0 0 442.902 7.277 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1C ZINC000003770760 555946369 /nfs/dbraw/zinc/94/63/69/555946369.db2.gz MVINBSNYZNZEAE-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3C)oc2cc1C ZINC000003770768 555946373 /nfs/dbraw/zinc/94/63/73/555946373.db2.gz ZXBAHNUYVKNTNF-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN CCCCCCN(CCCCCC)C(=O)Cc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000003780965 555946603 /nfs/dbraw/zinc/94/66/03/555946603.db2.gz VUWXAQFLTSBUDB-UHFFFAOYSA-N 0 0 436.615 7.506 50 0 aggregator,in-vivo IKAARN CCCC[C@@H](CC)COP(=O)(OC[C@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000003875505 555950265 /nfs/dbraw/zinc/95/02/65/555950265.db2.gz GTVWRXDRKAHEAD-SMIHKQSGSA-N 0 0 434.642 8.794 50 0 IKAARN Cc1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1NC(C)(C)C=C2C ZINC000003880383 555950505 /nfs/dbraw/zinc/95/05/05/555950505.db2.gz ZNRNYMUTKZOTNC-UHFFFAOYSA-N 0 0 429.607 7.985 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)NC1=S ZINC000003886368 555950916 /nfs/dbraw/zinc/95/09/16/555950916.db2.gz AVSZSJNYIFGNRR-MKMNVTDBSA-N 0 0 446.142 5.198 50 0 IKAARN Cc1ccc([C@H](Nc2ccccc2)c2nnnn2C(c2ccccc2)c2ccccc2)s1 ZINC000004017650 555952794 /nfs/dbraw/zinc/95/27/94/555952794.db2.gz DHXYYAHDMGRRAV-DEOSSOPVSA-N 0 0 437.572 5.882 50 0 IKAARN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=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 ZINC000004097713 555961890 /nfs/dbraw/zinc/96/18/90/555961890.db2.gz FSLPMRQHCOLESF-SFMCKYFRSA-N 0 0 426.729 8.025 50 0 biogenic,in-vitro IKAARN OC(c1ccccc1)(c1ccccc1)c1ccccc1C(O)(c1ccccc1)c1ccccc1 ZINC000004100304 555962253 /nfs/dbraw/zinc/96/22/53/555962253.db2.gz WHGWEBLOALILMM-UHFFFAOYSA-N 0 0 442.558 6.255 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)c(C)c1 ZINC000004134548 555967012 /nfs/dbraw/zinc/96/70/12/555967012.db2.gz NKIMYSFCVVGLKZ-SFHVURJKSA-N 0 0 425.594 6.310 50 0 IKAARN CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000004141553 555967767 /nfs/dbraw/zinc/96/77/67/555967767.db2.gz SLBKHXVFFDZUIS-WPSZSDGUSA-N 0 0 434.536 5.015 50 0 IKAARN COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000004184397 555974602 /nfs/dbraw/zinc/97/46/02/555974602.db2.gz DVIFDLUXHOEXSS-OQGGWEOTSA-N 0 0 429.626 5.841 50 0 IKAARN COc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000004185676 555974682 /nfs/dbraw/zinc/97/46/82/555974682.db2.gz FVYJLENXTBPJIX-UHFFFAOYSA-N 0 0 431.439 5.847 50 0 IKAARN O=C(Nc1ccccc1)OCC12CC3CC(C1)CC(COC(=O)Nc1ccccc1)(C3)C2 ZINC000004258153 555979824 /nfs/dbraw/zinc/97/98/24/555979824.db2.gz VTZQGRACBRLBGK-UHFFFAOYSA-N 0 0 434.536 6.070 50 0 IKAARN 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 ZINC000004293020 555983760 /nfs/dbraw/zinc/98/37/60/555983760.db2.gz PMBSWZWCNKVWLV-GRACOEFHSA-N 0 0 442.684 7.139 50 0 IKAARN CC(=O)O[C@@H]1C[C@@H]2C(=C3CC[C@H](O)C[C@@]31C)CC[C@]1(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]21 ZINC000004369772 555990557 /nfs/dbraw/zinc/99/05/57/555990557.db2.gz ALUXQROARXCVRO-FDJUXXALSA-N 0 0 444.700 7.074 50 0 IKAARN CCCCOc1ccc(C2(CNC(=O)Cc3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000004405150 555993299 /nfs/dbraw/zinc/99/32/99/555993299.db2.gz UKEXJENTCZBTAI-UHFFFAOYSA-N 0 0 425.569 5.053 50 0 IKAARN O=C(N[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)c1ccccc1)c1ccccc1 ZINC000004426715 555994228 /nfs/dbraw/zinc/99/42/28/555994228.db2.gz JSAMKBQBFLMMEB-HXUWFJFHSA-N 0 0 432.829 5.410 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CC[C@@H](C)C2 ZINC000004423392 555994311 /nfs/dbraw/zinc/99/43/11/555994311.db2.gz GQIBFTNMVPNXRZ-SNVBAGLBSA-N 0 0 426.332 5.046 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2-c2ccccc2)cc1 ZINC000004424688 555994325 /nfs/dbraw/zinc/99/43/25/555994325.db2.gz SBUQPCGXJQRMBZ-UHFFFAOYSA-N 0 0 428.601 6.940 50 0 IKAARN Cc1ccc(N2N=C(c3c(C)cc(C)cc3C)C[C@@H]2c2ccc(Br)cc2)cc1 ZINC000004528642 555999507 /nfs/dbraw/zinc/99/95/07/555999507.db2.gz LZESEBBQVXTIEY-XMMPIXPASA-N 0 0 433.393 7.038 50 0 IKAARN O=C(C[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCCCC1=O)c1ccc(Br)cc1 ZINC000004531606 555999519 /nfs/dbraw/zinc/99/95/19/555999519.db2.gz RYZOGDRCUKCLBX-RTWAWAEBSA-N 0 0 447.800 6.999 50 0 IKAARN Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(Br)cc1 ZINC000004531295 555999549 /nfs/dbraw/zinc/99/95/49/555999549.db2.gz LMBSFQJRIKIEQU-UHFFFAOYSA-N 0 0 445.426 6.270 50 0 IKAARN Cc1ccc([C@H](CC(=O)c2ccc(Br)cc2)[C@@H]2CCCCCCC2=O)cc1 ZINC000004531608 555999561 /nfs/dbraw/zinc/99/95/61/555999561.db2.gz NBFXIWLPQNJIRE-VXKWHMMOSA-N 0 0 427.382 6.654 50 0 IKAARN O=C(C[C@H](c1cccc(Br)c1)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531628 555999930 /nfs/dbraw/zinc/99/99/30/555999930.db2.gz OEYRDILRYYMBQV-LEWJYISDSA-N 0 0 447.800 6.999 50 0 IKAARN Cc1ccc([C@H](CC(=O)c2cccc(Br)c2)[C@H]2CCCCCCC2=O)cc1 ZINC000004531624 555999933 /nfs/dbraw/zinc/99/99/33/555999933.db2.gz JCWYRGIMQCPZNY-YADHBBJMSA-N 0 0 427.382 6.654 50 0 IKAARN CCCC1CCC(C2CCC(c3noc(-c4ccc(-c5ccccc5)cc4)n3)CC2)CC1 ZINC000004577692 556002554 /nfs/dbraw/zinc/00/25/54/556002554.db2.gz NHAXVEBJEMIHHT-UHFFFAOYSA-N 0 0 428.620 8.284 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 ZINC000004660829 556005284 /nfs/dbraw/zinc/00/52/84/556005284.db2.gz AJJVEZHOCKLQBO-GOSISDBHSA-N 0 0 425.594 6.508 50 0 IKAARN NC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCCCCCCCCC2 ZINC000004651404 556005333 /nfs/dbraw/zinc/00/53/33/556005333.db2.gz ASHKVIAICGPFCL-UHFFFAOYSA-N 0 0 426.626 6.028 50 0 IKAARN COc1ccc([C@H](NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2)cc1 ZINC000004667897 556005648 /nfs/dbraw/zinc/00/56/48/556005648.db2.gz WHBMMYZJHAPOLC-AREMUKBSSA-N 0 0 429.604 6.810 50 0 IKAARN CCCC(=O)Nc1ccc2nc(SCc3c(C)cc(C(C)(C)C)cc3C)sc2c1 ZINC000004670964 556005997 /nfs/dbraw/zinc/00/59/97/556005997.db2.gz FAEIXUWUJLRVFM-UHFFFAOYSA-N 0 0 426.651 7.242 50 0 IKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc2c(c1)c1ccccc1n2C ZINC000004710773 556007290 /nfs/dbraw/zinc/00/72/90/556007290.db2.gz DWQSSIFTRHQFQG-VRKFOXNMSA-N 0 0 427.544 6.495 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccc(OC)cc2)c2ccccc12 ZINC000004734258 556008954 /nfs/dbraw/zinc/00/89/54/556008954.db2.gz NWCMFPTYGUPDGL-UHFFFAOYSA-N 0 0 427.460 5.026 50 0 IKAARN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCC(c2ccccc2)CC1 ZINC000004779428 556011604 /nfs/dbraw/zinc/01/16/04/556011604.db2.gz HCQBLIXUEFKWRV-UHFFFAOYSA-N 0 0 429.604 5.939 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000004786605 556011882 /nfs/dbraw/zinc/01/18/82/556011882.db2.gz WGOKMNKWXWSQET-HSZRJFAPSA-N 0 0 444.922 5.626 50 0 IKAARN CCCC[C@H]1CCCC[C@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004808004 556012741 /nfs/dbraw/zinc/01/27/41/556012741.db2.gz JOJQEUXIVOQZQP-LEWJYISDSA-N 0 0 434.646 5.413 50 0 IKAARN Cc1ccc(NC(=O)CC23CC4CC(C2)CC(CC(=O)Nc2ccc(C)cc2)(C4)C3)cc1 ZINC000004831567 556014259 /nfs/dbraw/zinc/01/42/59/556014259.db2.gz 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556072844 /nfs/dbraw/zinc/07/28/44/556072844.db2.gz HEONICKHIVKZOV-UHFFFAOYSA-N 0 0 428.307 5.227 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3c2C1 ZINC000006059810 556073505 /nfs/dbraw/zinc/07/35/05/556073505.db2.gz JBDOJOGACHQCBX-IBGZPJMESA-N 0 0 439.621 6.700 50 0 IKAARN COC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)ccc1C)c2=O ZINC000006162892 556078843 /nfs/dbraw/zinc/07/88/43/556078843.db2.gz DXLHQYRGYGXGGO-ZDUSSCGKSA-N 0 0 436.382 5.161 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000006212386 556080686 /nfs/dbraw/zinc/08/06/86/556080686.db2.gz VQBROCANHGKPNM-UHFFFAOYSA-N 0 0 445.950 6.509 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(OC(=O)c4ccccc4F)c3)C(=O)O2)cc1 ZINC000006212656 556080696 /nfs/dbraw/zinc/08/06/96/556080696.db2.gz MYEAGBJKUXHHSK-KQWNVCNZSA-N 0 0 443.474 5.687 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4C)cc3n2)c(C)c1 ZINC000006205298 556080717 /nfs/dbraw/zinc/08/07/17/556080717.db2.gz HRVYCWKAXHOEJW-UHFFFAOYSA-N 0 0 427.552 5.444 50 0 aggregator IKAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2ccccn2)cc1 ZINC000006244537 556082301 /nfs/dbraw/zinc/08/23/01/556082301.db2.gz HUFOBPILAZTOQT-DNQXCXABSA-N 0 0 432.570 5.410 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1 ZINC000006245233 556082590 /nfs/dbraw/zinc/08/25/90/556082590.db2.gz FLGFKCUPDLJPDT-INIZCTEOSA-N 0 0 449.967 5.410 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3cccc4ccccc43)cc2)cc1 ZINC000006270010 556083278 /nfs/dbraw/zinc/08/32/78/556083278.db2.gz WPKAPQQQZRUCIK-UHFFFAOYSA-N 0 0 430.529 5.130 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1C ZINC000006280403 556083616 /nfs/dbraw/zinc/08/36/16/556083616.db2.gz XPLKUQZFVIMIJO-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002344323 556084798 /nfs/dbraw/zinc/08/47/98/556084798.db2.gz WTKOYKYCSPUADR-UHFFFAOYSA-N 0 0 437.724 6.570 50 0 IKAARN Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccncc4)nc4c(Cl)cccc34)ccc12 ZINC000006428819 556087225 /nfs/dbraw/zinc/08/72/25/556087225.db2.gz WMMILXCZBPDCPP-UHFFFAOYSA-N 0 0 441.874 5.617 50 0 IKAARN Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000006429599 556087331 /nfs/dbraw/zinc/08/73/31/556087331.db2.gz IUBBHJSOEPANDV-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccccc3Cc3ccccc3)c2c1 ZINC000006456020 556088973 /nfs/dbraw/zinc/08/89/73/556088973.db2.gz XEUKEXXLCMGDCL-UHFFFAOYSA-N 0 0 429.523 6.448 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000006458776 556089277 /nfs/dbraw/zinc/08/92/77/556089277.db2.gz XZHPLNWZVHTBRB-UHFFFAOYSA-N 0 0 427.573 6.345 50 0 IKAARN O=C(C[C@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccc(Br)cc1 ZINC000006457544 556089326 /nfs/dbraw/zinc/08/93/26/556089326.db2.gz INFUOHFIFLJRQU-QHCPKHFHSA-N 0 0 431.333 6.424 50 0 IKAARN O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000006457454 556089366 /nfs/dbraw/zinc/08/93/66/556089366.db2.gz UOHKMZIWZBOHLZ-UHFFFAOYSA-N 0 0 435.914 6.870 50 0 IKAARN COc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc(OC)c1O ZINC000006458879 556089377 /nfs/dbraw/zinc/08/93/77/556089377.db2.gz OUFSIOUMEYKTAY-UHFFFAOYSA-N 0 0 441.314 6.440 50 0 IKAARN CCCCCOc1ccc(C(=O)CCCCC(=O)c2ccc(OCCCCC)cc2)cc1 ZINC000006472222 556090322 /nfs/dbraw/zinc/09/03/22/556090322.db2.gz MHCBRILOHYOAEO-UHFFFAOYSA-N 0 0 438.608 7.451 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000006500927 556092068 /nfs/dbraw/zinc/09/20/68/556092068.db2.gz UNSYFLRSQUDLBN-UHFFFAOYSA-N 0 0 432.589 5.778 50 0 IKAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000006599768 556096502 /nfs/dbraw/zinc/09/65/02/556096502.db2.gz WEUPEKIOUHPJPK-INIZCTEOSA-N 0 0 430.639 5.562 50 0 IKAARN CCOc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 ZINC000006601770 556097875 /nfs/dbraw/zinc/09/78/75/556097875.db2.gz JQJMUQPBYFANTJ-ZLNRFVROSA-N 0 0 429.318 6.448 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000006632060 556099550 /nfs/dbraw/zinc/09/95/50/556099550.db2.gz GAVAQGGJNJFTMV-OAHLLOKOSA-N 0 0 435.515 5.144 50 0 IKAARN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1NCCc1ccc(OC)c(OC)c1 ZINC000002440781 556099980 /nfs/dbraw/zinc/09/99/80/556099980.db2.gz NAWWSWPHUXNIPU-UHFFFAOYSA-N 0 0 430.552 5.247 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(C(=O)C(C)(C)C)C1CCCCC1 ZINC000006722677 556102205 /nfs/dbraw/zinc/10/22/05/556102205.db2.gz ALYQHXPSWWTNSD-UHFFFAOYSA-N 0 0 427.633 5.589 50 0 IKAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000006821462 556105402 /nfs/dbraw/zinc/10/54/02/556105402.db2.gz GAVAQGGJNJFTMV-HNNXBMFYSA-N 0 0 435.515 5.144 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3ccc(C)c(C)c3)nc(-c3ccccc3)nc12 ZINC000006860505 556106895 /nfs/dbraw/zinc/10/68/95/556106895.db2.gz FLIGDEUCJHAYEF-UHFFFAOYSA-N 0 0 427.573 6.207 50 0 IKAARN COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000006907009 556110163 /nfs/dbraw/zinc/11/01/63/556110163.db2.gz CPSFTNZKWJWHAO-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN CCCC[C@@H](CC)COP(=O)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC ZINC000006920426 556110560 /nfs/dbraw/zinc/11/05/60/556110560.db2.gz GTVWRXDRKAHEAD-WXFUMESZSA-N 0 0 434.642 8.794 50 0 IKAARN COc1ccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000006973782 556111889 /nfs/dbraw/zinc/11/18/89/556111889.db2.gz FJPBAFUJHGNZJV-UHFFFAOYSA-N 0 0 437.443 5.275 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCCSc1ccc(Cl)cc1 ZINC000007017979 556113449 /nfs/dbraw/zinc/11/34/49/556113449.db2.gz IAGFLVMMFMMJSZ-PGMHBOJBSA-N 0 0 435.932 5.856 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000007060067 556114143 /nfs/dbraw/zinc/11/41/43/556114143.db2.gz QKMQPWRNLSJQFC-RXVVDRJESA-N 0 0 441.350 5.762 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000007060059 556114162 /nfs/dbraw/zinc/11/41/62/556114162.db2.gz CFFDPDSOSCFBFQ-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN CCOc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2cccnc2)cc1 ZINC000002621515 556114474 /nfs/dbraw/zinc/11/44/74/556114474.db2.gz CAGAAIWNRCEFOP-UHFFFAOYSA-N 0 0 432.549 5.208 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000002674197 556118409 /nfs/dbraw/zinc/11/84/09/556118409.db2.gz UWEIALNJIZNATP-ZNFPLGDCSA-N 0 0 438.569 5.931 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc21 ZINC000002671005 556118419 /nfs/dbraw/zinc/11/84/19/556118419.db2.gz JJXDIZVRLIHJAL-UHFFFAOYSA-N 0 0 442.877 7.207 50 0 IKAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002678313 556118677 /nfs/dbraw/zinc/11/86/77/556118677.db2.gz WHUBWYDDQGMSGL-CQSZACIVSA-N 0 0 445.243 5.409 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(F)cc1C)c1ccccc21 ZINC000002685533 556119063 /nfs/dbraw/zinc/11/90/63/556119063.db2.gz YEEOEHSCEKDQPE-UHFFFAOYSA-N 0 0 441.480 5.319 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(C)cc4)cc2-3)OCO5)cc1 ZINC000002688735 556119286 /nfs/dbraw/zinc/11/92/86/556119286.db2.gz XCGUUKQUMPUPDO-UHFFFAOYSA-N 0 0 437.499 5.687 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc(OC)ccc32)c1 ZINC000002688474 556119337 /nfs/dbraw/zinc/11/93/37/556119337.db2.gz XBZSPWSCGSNDTN-UHFFFAOYSA-N 0 0 429.907 5.922 50 0 IKAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1 ZINC000002688453 556119353 /nfs/dbraw/zinc/11/93/53/556119353.db2.gz ZVXPSJZINDBPTQ-UHFFFAOYSA-N 0 0 427.435 5.128 50 0 IKAARN Cc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCCO4)c1 ZINC000002688461 556119378 /nfs/dbraw/zinc/11/93/78/556119378.db2.gz AORCEWIMVCFYKQ-UHFFFAOYSA-N 0 0 441.918 5.984 50 0 IKAARN COc1ccccc1Cn1cc2c(-c3ccc(C)c(C)c3)nnc-2c2cc3c(cc21)OCO3 ZINC000002690119 556119864 /nfs/dbraw/zinc/11/98/64/556119864.db2.gz MVTQRBPZPLYTOT-UHFFFAOYSA-N 0 0 437.499 5.606 50 0 IKAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(F)cc32)cc1 ZINC000002693147 556120619 /nfs/dbraw/zinc/12/06/19/556120619.db2.gz NFKPAQMXBQJBMX-UHFFFAOYSA-N 0 0 433.504 5.363 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCCO5)cc1 ZINC000002693385 556120839 /nfs/dbraw/zinc/12/08/39/556120839.db2.gz SFKYQTYNBZTSDY-UHFFFAOYSA-N 0 0 437.499 5.421 50 0 IKAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1sc2ccccc2c1Cl ZINC000002694984 556121124 /nfs/dbraw/zinc/12/11/24/556121124.db2.gz NFJASFSMHKEBDG-UHFFFAOYSA-N 0 0 448.400 6.462 50 0 IKAARN Clc1ccc(-c2csc(Cc3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000002700418 556121424 /nfs/dbraw/zinc/12/14/24/556121424.db2.gz IJBCUHSSXISIPF-UHFFFAOYSA-N 0 0 447.810 6.940 50 0 IKAARN Cc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)COc2ccc(Cl)cc2)cc1 ZINC000002697067 556121430 /nfs/dbraw/zinc/12/14/30/556121430.db2.gz VJNLABMDKRGCQY-UHFFFAOYSA-N 0 0 426.877 5.468 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccc(OC)cc1 ZINC000002690643 556121728 /nfs/dbraw/zinc/12/17/28/556121728.db2.gz HCPJRDYTJXOULL-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN CCOc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)N(CC)CC)c1C2 ZINC000002690407 556121730 /nfs/dbraw/zinc/12/17/30/556121730.db2.gz BHLHNAOAUGPWKC-UHFFFAOYSA-N 0 0 449.576 5.199 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1cccc(OC)c1 ZINC000002690630 556121740 /nfs/dbraw/zinc/12/17/40/556121740.db2.gz QWWCQWSKSUGQAC-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN Cc1ccc(Nc2[nH]c(=O)c3ccccc3c2C(=O)c2ccc(Br)cc2)cc1 ZINC000002700548 556121767 /nfs/dbraw/zinc/12/17/67/556121767.db2.gz LEDAVBSJQUYIKU-UHFFFAOYSA-N 0 0 433.305 5.574 50 0 IKAARN COc1ccccc1Cn1cc2c(-c3ccccc3)nnc-2c2cc(OC)c(OC)cc21 ZINC000002691369 556122329 /nfs/dbraw/zinc/12/23/29/556122329.db2.gz AEHAFPIJEBJQAR-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002702754 556122705 /nfs/dbraw/zinc/12/27/05/556122705.db2.gz HBXXXYKCQOATAN-FQEVSTJZSA-N 0 0 432.501 5.178 50 0 IKAARN CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002703894 556122973 /nfs/dbraw/zinc/12/29/73/556122973.db2.gz PRKLOAIORZBWOP-OAQYLSRUSA-N 0 0 446.528 5.405 50 0 IKAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000002703500 556123023 /nfs/dbraw/zinc/12/30/23/556123023.db2.gz LCDVDGXGRAOPNG-XMMPIXPASA-N 0 0 440.499 5.363 50 0 IKAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002704202 556123577 /nfs/dbraw/zinc/12/35/77/556123577.db2.gz MLPMLWQWQDEFDF-NRFANRHFSA-N 0 0 446.528 5.568 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CC[C@@H](CC)C2 ZINC000002708171 556124483 /nfs/dbraw/zinc/12/44/83/556124483.db2.gz PCEUAUHOKAPLBU-ZIAGYGMSSA-N 0 0 431.623 5.878 50 0 IKAARN COc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)cc1OC ZINC000002710186 556124800 /nfs/dbraw/zinc/12/48/00/556124800.db2.gz RENKLZJYWGUIGN-FMIVXFBMSA-N 0 0 429.545 5.757 50 0 IKAARN Cc1ccc(-n2c(SC(c3ccccc3)c3ccccc3)nc3c(c2=O)SCC3)cc1 ZINC000002719784 556126064 /nfs/dbraw/zinc/12/60/64/556126064.db2.gz DJPYHXHMHXLBBT-UHFFFAOYSA-N 0 0 442.609 6.071 50 0 IKAARN O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1-c1ccc(F)cc1)CCS2 ZINC000002719977 556126166 /nfs/dbraw/zinc/12/61/66/556126166.db2.gz CHUYSLLGAIVCGN-UHFFFAOYSA-N 0 0 439.364 5.619 50 0 IKAARN C[C@@H](Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)c1ccccc1 ZINC000002720044 556126504 /nfs/dbraw/zinc/12/65/04/556126504.db2.gz KFSVWLGPOGLKGH-CYBMUJFWSA-N 0 0 445.407 5.497 50 0 IKAARN O=c1c2c(nc(SCc3c(F)cccc3Cl)n1-c1ccc(Cl)cc1)CCS2 ZINC000002720023 556126535 /nfs/dbraw/zinc/12/65/35/556126535.db2.gz SXNXGNUOVKDZMM-UHFFFAOYSA-N 0 0 439.364 5.619 50 0 IKAARN C[C@@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000002721846 556127704 /nfs/dbraw/zinc/12/77/04/556127704.db2.gz IGIUYSNXNYSPMD-CQSZACIVSA-N 0 0 429.494 5.760 50 0 IKAARN C[C@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000002721845 556127724 /nfs/dbraw/zinc/12/77/24/556127724.db2.gz IGIUYSNXNYSPMD-AWEZNQCLSA-N 0 0 429.494 5.760 50 0 IKAARN O=C(CCc1ccccc1)NCCSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000002721228 556127731 /nfs/dbraw/zinc/12/77/31/556127731.db2.gz GGSOZGIWWGUDKA-UHFFFAOYSA-N 0 0 434.992 6.329 50 0 IKAARN C[C@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000002721759 556127750 /nfs/dbraw/zinc/12/77/50/556127750.db2.gz SIJPSRGCRLNRPI-AWEZNQCLSA-N 0 0 445.562 6.228 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)CCc2ccccc2)cc1 ZINC000002721173 556127759 /nfs/dbraw/zinc/12/77/59/556127759.db2.gz DAFJOQRSINYNDZ-UHFFFAOYSA-N 0 0 430.573 5.685 50 0 IKAARN Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002721836 556127763 /nfs/dbraw/zinc/12/77/63/556127763.db2.gz FVDLARGTUYXFDV-UHFFFAOYSA-N 0 0 425.531 5.677 50 0 IKAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1SCc1ccc(F)cc1)c1ccccc1 ZINC000002721729 556127766 /nfs/dbraw/zinc/12/77/66/556127766.db2.gz YSEWWPUUSXMJKN-UHFFFAOYSA-N 0 0 443.496 5.745 50 0 IKAARN Cc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)c(C)c1 ZINC000002722264 556127940 /nfs/dbraw/zinc/12/79/40/556127940.db2.gz JIUPVZJRZCZGSE-UHFFFAOYSA-N 0 0 446.572 5.027 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccc(C)cc1C ZINC000002722482 556128232 /nfs/dbraw/zinc/12/82/32/556128232.db2.gz UZXJGRRQJNDCMB-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714165 556129446 /nfs/dbraw/zinc/12/94/46/556129446.db2.gz HZDHWTNSZIDOBC-UHFFFAOYSA-N 0 0 426.442 5.555 50 0 IKAARN CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002714419 556129558 /nfs/dbraw/zinc/12/95/58/556129558.db2.gz GYPZWKHDWUTJRB-UHFFFAOYSA-N 0 0 440.934 6.883 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2Cl)cc1 ZINC000002714719 556129826 /nfs/dbraw/zinc/12/98/26/556129826.db2.gz TYLMGURRYFCKRV-UHFFFAOYSA-N 0 0 440.934 6.362 50 0 IKAARN COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)cc1 ZINC000002714693 556129897 /nfs/dbraw/zinc/12/98/97/556129897.db2.gz VJERTLQNCZMBJP-UHFFFAOYSA-N 0 0 436.515 5.717 50 0 IKAARN COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714492 556129919 /nfs/dbraw/zinc/12/99/19/556129919.db2.gz ZMHDZBQKGUSROO-UHFFFAOYSA-N 0 0 437.341 5.298 50 0 IKAARN Fc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)c1 ZINC000002714853 556130159 /nfs/dbraw/zinc/13/01/59/556130159.db2.gz IXPIUDKBSNPPJO-UHFFFAOYSA-N 0 0 448.423 6.989 50 0 IKAARN CCN(c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C1CCCCC1 ZINC000002715131 556130216 /nfs/dbraw/zinc/13/02/16/556130216.db2.gz WNORFCFCGNGMFV-UHFFFAOYSA-N 0 0 430.983 6.900 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccc(C)cc2)cc1 ZINC000002715197 556130235 /nfs/dbraw/zinc/13/02/35/556130235.db2.gz WVNLFKAYASDVIO-UHFFFAOYSA-N 0 0 434.543 6.407 50 0 IKAARN CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714870 556130265 /nfs/dbraw/zinc/13/02/65/556130265.db2.gz NTUGLTKCLVKLQA-UHFFFAOYSA-N 0 0 438.497 6.733 50 0 IKAARN Cc1cc(C)cc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000002716471 556130980 /nfs/dbraw/zinc/13/09/80/556130980.db2.gz KDVCWAWYXRVAQF-UHFFFAOYSA-N 0 0 448.950 5.173 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(Br)cc2)c1Sc1ccccc1 ZINC000002718554 556131590 /nfs/dbraw/zinc/13/15/90/556131590.db2.gz ARBDQDVLCRQKJQ-UHFFFAOYSA-N 0 0 445.382 6.079 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CSc2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000002718351 556131596 /nfs/dbraw/zinc/13/15/96/556131596.db2.gz BRXFYVAMKYUZNP-UHFFFAOYSA-N 0 0 430.529 5.742 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@@H](C)C2 ZINC000002737029 556131888 /nfs/dbraw/zinc/13/18/88/556131888.db2.gz NVEUSHDCBOLLHL-MRVPVSSYSA-N 0 0 447.425 5.388 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@H](C)C2 ZINC000002737028 556131941 /nfs/dbraw/zinc/13/19/41/556131941.db2.gz NVEUSHDCBOLLHL-QMMMGPOBSA-N 0 0 447.425 5.388 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000002736772 556131983 /nfs/dbraw/zinc/13/19/83/556131983.db2.gz LNZKKRIMLFITCE-VEMDQMBVSA-N 0 0 425.594 6.213 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 ZINC000002737228 556132079 /nfs/dbraw/zinc/13/20/79/556132079.db2.gz ZUZBRSHBRVJLAO-KBPBESRZSA-N 0 0 435.973 5.417 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c(C)c1 ZINC000002737686 556132222 /nfs/dbraw/zinc/13/22/22/556132222.db2.gz DWKMQPFIFYRHRX-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3F)c2C)cc1 ZINC000002737388 556132223 /nfs/dbraw/zinc/13/22/23/556132223.db2.gz ISFIBYKNBZSQMZ-UHFFFAOYSA-N 0 0 449.323 6.673 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002738423 556132514 /nfs/dbraw/zinc/13/25/14/556132514.db2.gz LIAOUHIKEFRAJO-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c1 ZINC000002740593 556132688 /nfs/dbraw/zinc/13/26/88/556132688.db2.gz OMXJQJKQMVSHOR-UHFFFAOYSA-N 0 0 437.326 6.147 50 0 IKAARN O=C(Nc1ccccc1Br)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002740616 556132825 /nfs/dbraw/zinc/13/28/25/556132825.db2.gz CLZMCMCCXACPEO-UHFFFAOYSA-N 0 0 437.724 6.570 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)CC)C2 ZINC000002741610 556132964 /nfs/dbraw/zinc/13/29/64/556132964.db2.gz WCPAZWGRICLSIZ-QFBILLFUSA-N 0 0 443.609 5.872 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000002741827 556133071 /nfs/dbraw/zinc/13/30/71/556133071.db2.gz CCMBLNJUIGNMJA-MRXNPFEDSA-N 0 0 449.381 7.974 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000002724227 556133249 /nfs/dbraw/zinc/13/32/49/556133249.db2.gz ZSOWZALLLPVHHC-JOCHJYFZSA-N 0 0 425.315 5.486 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724544 556133284 /nfs/dbraw/zinc/13/32/84/556133284.db2.gz OLHXTBZCMKMZIN-NRFANRHFSA-N 0 0 429.278 5.316 50 0 IKAARN CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724581 556133315 /nfs/dbraw/zinc/13/33/15/556133315.db2.gz QERJBVVUDKJHQP-HSZRJFAPSA-N 0 0 438.886 5.062 50 0 IKAARN O=C(c1ccccc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724542 556133325 /nfs/dbraw/zinc/13/33/25/556133325.db2.gz KRPUKCVPLDMZIF-NRFANRHFSA-N 0 0 429.278 5.316 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000002724229 556133360 /nfs/dbraw/zinc/13/33/60/556133360.db2.gz VXIWOHGMYRHVCI-JOCHJYFZSA-N 0 0 443.305 5.625 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725339 556133564 /nfs/dbraw/zinc/13/35/64/556133564.db2.gz MOQBGKQZIVRDLO-INIZCTEOSA-N 0 0 426.700 5.168 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725332 556133616 /nfs/dbraw/zinc/13/36/16/556133616.db2.gz RTMOKLFTOLBVQQ-OAHLLOKOSA-N 0 0 442.699 5.048 50 0 IKAARN Cc1cc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)nn1Cc1ccccc1 ZINC000002729925 556133772 /nfs/dbraw/zinc/13/37/72/556133772.db2.gz JRXPQMQAJYTQNG-UHFFFAOYSA-N 0 0 443.547 5.962 50 0 IKAARN CCOc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)cc2)cc1 ZINC000002730943 556134217 /nfs/dbraw/zinc/13/42/17/556134217.db2.gz CAGPQCKGRJHFNS-UHFFFAOYSA-N 0 0 430.533 5.601 50 0 IKAARN Fc1ccc(Cn2cc(NC(=S)N(Cc3ccccc3)Cc3ccccc3)cn2)cc1 ZINC000002732962 556134841 /nfs/dbraw/zinc/13/48/41/556134841.db2.gz VKUULVKFKSVIMK-UHFFFAOYSA-N 0 0 430.552 5.470 50 0 IKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2ccc(OC)cc2)c1-c1cccc(OC)c1 ZINC000002733509 556135101 /nfs/dbraw/zinc/13/51/01/556135101.db2.gz RIQPZCMPVYTYAJ-UHFFFAOYSA-N 0 0 428.532 5.854 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002736255 556135422 /nfs/dbraw/zinc/13/54/22/556135422.db2.gz GUMOSXIEFGYNCN-LLVKDONJSA-N 0 0 440.392 6.245 50 0 IKAARN Cc1ccc(C(=O)Nc2sc(C(=O)Nc3ccccc3)c(C)c2C(=O)OC(C)C)o1 ZINC000002761001 556135435 /nfs/dbraw/zinc/13/54/35/556135435.db2.gz KZTCHRRKKKYFJT-UHFFFAOYSA-N 0 0 426.494 5.028 50 0 IKAARN CC[C@H](NC(=O)c1c(C)n(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(C)C)cc1 ZINC000002735331 556135451 /nfs/dbraw/zinc/13/54/51/556135451.db2.gz OKJAKIOPFRPWBL-SANMLTNESA-N 0 0 437.587 6.852 50 0 IKAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)c1ccc(Br)cc1 ZINC000002764378 556136029 /nfs/dbraw/zinc/13/60/29/556136029.db2.gz LYMZFTWDGYTQLZ-UHFFFAOYSA-N 0 0 434.337 5.716 50 0 IKAARN CCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](c2ccccc2)C3)c1 ZINC000002750874 556136889 /nfs/dbraw/zinc/13/68/89/556136889.db2.gz WRFCQYMMSUEKKF-GOSISDBHSA-N 0 0 449.572 5.848 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)C[C@H](C)CC2 ZINC000002749932 556136900 /nfs/dbraw/zinc/13/69/00/556136900.db2.gz YRPOXCWHSFFVKE-CQSZACIVSA-N 0 0 433.529 5.536 50 0 IKAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1I ZINC000002749137 556136960 /nfs/dbraw/zinc/13/69/60/556136960.db2.gz DPIIAFWEUPHXIF-FQEVSTJZSA-N 0 0 442.252 5.072 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)cc3C(=O)OC)c3ccccc3n2)c1 ZINC000002753538 556137213 /nfs/dbraw/zinc/13/72/13/556137213.db2.gz MPCOXUXSAPRUHZ-UHFFFAOYSA-N 0 0 446.528 5.709 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1sc2ccccc2c1Cl ZINC000002754574 556137240 /nfs/dbraw/zinc/13/72/40/556137240.db2.gz VSVZUFQAGVVLFP-UHFFFAOYSA-N 0 0 430.360 6.322 50 0 IKAARN O=C(Nc1ccc(Br)cc1Br)c1ccc(-c2ccccc2)cc1 ZINC000002753449 556137267 /nfs/dbraw/zinc/13/72/67/556137267.db2.gz GTPKURVJTFYUQJ-UHFFFAOYSA-N 0 0 431.127 6.131 50 0 IKAARN Cc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)s1 ZINC000002757271 556137442 /nfs/dbraw/zinc/13/74/42/556137442.db2.gz MPZQHJJQSNITTB-UHFFFAOYSA-N 0 0 425.311 5.077 50 0 IKAARN CCn1cc([C@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)c(C)n1 ZINC000002755154 556137456 /nfs/dbraw/zinc/13/74/56/556137456.db2.gz DVFQRNNQEMPJSL-INIZCTEOSA-N 0 0 432.955 5.879 50 0 IKAARN CCc1ccc(-c2nc(NC(=O)c3csc4c3CC[C@@H](C(C)(C)C)C4)sc2C)cc1 ZINC000002755064 556137512 /nfs/dbraw/zinc/13/75/12/556137512.db2.gz GBSVLGWCSDWHMY-GOSISDBHSA-N 0 0 438.662 7.146 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)cc1 ZINC000002755406 556137538 /nfs/dbraw/zinc/13/75/38/556137538.db2.gz DVHKYAPQIUNMSP-UHFFFAOYSA-N 0 0 440.455 5.060 50 0 IKAARN CCn1cc([C@@H](C)NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)c(C)n1 ZINC000002760345 556137752 /nfs/dbraw/zinc/13/77/52/556137752.db2.gz AFTSZJAFPUKFDD-GOSISDBHSA-N 0 0 440.591 6.215 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)c1ccccc1C ZINC000002759912 556137820 /nfs/dbraw/zinc/13/78/20/556137820.db2.gz GNAFIBNEQUIJOR-UHFFFAOYSA-N 0 0 447.600 7.200 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccccc2Br)o1 ZINC000002782369 556138117 /nfs/dbraw/zinc/13/81/17/556138117.db2.gz GBLRXSDFBJPTGU-LJQANCHMSA-N 0 0 426.310 5.429 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2n1 ZINC000002785396 556138585 /nfs/dbraw/zinc/13/85/85/556138585.db2.gz FYVDUYJQHRNPEI-LJQANCHMSA-N 0 0 438.571 6.699 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000002786053 556138612 /nfs/dbraw/zinc/13/86/12/556138612.db2.gz NVSMAXBLWXNSDR-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3n2)s1 ZINC000002788641 556139087 /nfs/dbraw/zinc/13/90/87/556139087.db2.gz PYWYMKSEQVGVCS-STQMWFEESA-N 0 0 436.503 5.157 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3n2)s1 ZINC000002788642 556139102 /nfs/dbraw/zinc/13/91/02/556139102.db2.gz PYWYMKSEQVGVCS-CHWSQXEVSA-N 0 0 436.503 5.157 50 0 IKAARN C[C@@H](c1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002788954 556139154 /nfs/dbraw/zinc/13/91/54/556139154.db2.gz QVNZNBZUAXDXOE-QWRGUYRKSA-N 0 0 446.502 5.166 50 0 IKAARN C[C@H](c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002788953 556139162 /nfs/dbraw/zinc/13/91/62/556139162.db2.gz QVNZNBZUAXDXOE-GHMZBOCLSA-N 0 0 446.502 5.166 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)sc2c1 ZINC000002766886 556139670 /nfs/dbraw/zinc/13/96/70/556139670.db2.gz WCUTXSWIFJKUJF-UHFFFAOYSA-N 0 0 442.434 5.364 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002768135 556139932 /nfs/dbraw/zinc/13/99/32/556139932.db2.gz IREMJOXKTUPPGE-UHFFFAOYSA-N 0 0 442.153 5.504 50 0 IKAARN CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21)c1ccccc1 ZINC000002769299 556140181 /nfs/dbraw/zinc/14/01/81/556140181.db2.gz VQLBGKDVVGZOMJ-JOCHJYFZSA-N 0 0 445.360 6.545 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)CC)C3)cc1 ZINC000002773861 556140420 /nfs/dbraw/zinc/14/04/20/556140420.db2.gz QVEAUVSPANYARO-QGZVFWFLSA-N 0 0 442.625 5.819 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3cc(Br)ccc3n2)cc1 ZINC000002773425 556140451 /nfs/dbraw/zinc/14/04/51/556140451.db2.gz VPBQZIZUHNIILW-MRXNPFEDSA-N 0 0 437.381 6.099 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002774146 556140526 /nfs/dbraw/zinc/14/05/26/556140526.db2.gz BGKDPEYJIHCIBO-UHFFFAOYSA-N 0 0 439.353 5.545 50 0 IKAARN C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)c1ccc(Cl)cc1 ZINC000002777458 556140746 /nfs/dbraw/zinc/14/07/46/556140746.db2.gz SJKWYSJSBOGKKY-HNNXBMFYSA-N 0 0 430.891 5.775 50 0 IKAARN COc1cc(NC(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002797875 556141870 /nfs/dbraw/zinc/14/18/70/556141870.db2.gz DDYINBYCLMYYNV-UHFFFAOYSA-N 0 0 436.316 5.087 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5nn(C)c(C)c5Cl)nc4c23)C1 ZINC000002799676 556142087 /nfs/dbraw/zinc/14/20/87/556142087.db2.gz VOSBVBSRDAKWCS-GFCCVEGCSA-N 0 0 428.993 5.242 50 0 IKAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2C(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000002803123 556142735 /nfs/dbraw/zinc/14/27/35/556142735.db2.gz DEVVYPUJCJRHBP-PKOBYXMFSA-N 0 0 430.430 5.087 50 0 IKAARN Cc1cc(OCc2ccc(C=C3NC(=S)N(Cc4ccco4)C3=O)o2)cc(C)c1Cl ZINC000002804665 556143016 /nfs/dbraw/zinc/14/30/16/556143016.db2.gz OEOTVGGLCKTOET-VXLYETTFSA-N 0 0 442.924 5.391 50 0 IKAARN Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000002804429 556143031 /nfs/dbraw/zinc/14/30/31/556143031.db2.gz LMJSORCADKIWLI-VIFPVBQESA-N 0 0 431.668 5.128 50 0 IKAARN Cc1sc2ncn3nc(-c4ccc(COc5ccc(F)cc5Cl)o4)nc3c2c1C ZINC000002791236 556143664 /nfs/dbraw/zinc/14/36/64/556143664.db2.gz OCOLSXCRHARVOS-UHFFFAOYSA-N 0 0 428.876 5.587 50 0 IKAARN O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002806382 556143672 /nfs/dbraw/zinc/14/36/72/556143672.db2.gz DADSULDTXUCHQX-UHFFFAOYSA-N 0 0 445.800 5.223 50 0 IKAARN CC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2OC(F)F)cc1 ZINC000002792701 556144633 /nfs/dbraw/zinc/14/46/33/556144633.db2.gz UCXWNIQRFDBPPI-CHWSQXEVSA-N 0 0 426.301 6.055 50 0 IKAARN COc1cccc(N2C(=S)N=NC2c2cccc(COc3ccc(C(C)C)cc3)c2)c1 ZINC000002793687 556144939 /nfs/dbraw/zinc/14/49/39/556144939.db2.gz XIVFIZVKDFQJPD-UHFFFAOYSA-N 0 0 431.561 5.934 50 0 IKAARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002793600 556145019 /nfs/dbraw/zinc/14/50/19/556145019.db2.gz XMKSKXCOGSQZQB-UHFFFAOYSA-N 0 0 436.462 5.724 50 0 IKAARN COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 ZINC000002795769 556145483 /nfs/dbraw/zinc/14/54/83/556145483.db2.gz GFMAIHAFJZGNLS-CYBMUJFWSA-N 0 0 435.973 5.419 50 0 IKAARN COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 ZINC000002795768 556145525 /nfs/dbraw/zinc/14/55/25/556145525.db2.gz GFMAIHAFJZGNLS-ZDUSSCGKSA-N 0 0 435.973 5.419 50 0 IKAARN O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000002796288 556145565 /nfs/dbraw/zinc/14/55/65/556145565.db2.gz PZZUYXVOWKZMGI-UHFFFAOYSA-N 0 0 443.290 5.058 50 0 IKAARN Cc1cccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)c1C ZINC000002796507 556145765 /nfs/dbraw/zinc/14/57/65/556145765.db2.gz DUVGGYJYZCIOSS-UHFFFAOYSA-N 0 0 434.721 5.205 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000002812362 556145831 /nfs/dbraw/zinc/14/58/31/556145831.db2.gz GTDBJIYJQADKDD-UHFFFAOYSA-N 0 0 436.552 6.278 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc1 ZINC000002838144 556146151 /nfs/dbraw/zinc/14/61/51/556146151.db2.gz HBMXCZDEGGVNKI-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000002836011 556146163 /nfs/dbraw/zinc/14/61/63/556146163.db2.gz FJUIADLFVDKJAP-NFQMXDRXSA-N 0 0 440.587 6.517 50 0 IKAARN Cc1ccc(-c2csc3ncnc(Nc4ccc(Cl)c(C(F)(F)F)c4)c23)cc1C ZINC000002886698 556147514 /nfs/dbraw/zinc/14/75/14/556147514.db2.gz BVHODVLGEGWPFB-UHFFFAOYSA-N 0 0 433.886 7.391 50 0 IKAARN O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1cccc(F)c1F ZINC000002843092 556147865 /nfs/dbraw/zinc/14/78/65/556147865.db2.gz AOMTXNQTVKBFHD-UHFFFAOYSA-N 0 0 449.547 7.520 50 0 IKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc(C)cc1OC(F)F ZINC000002857919 556148142 /nfs/dbraw/zinc/14/81/42/556148142.db2.gz CBALVUBRJBGANF-UHFFFAOYSA-N 0 0 448.516 5.920 50 0 IKAARN COP(=O)(OC)c1nc(-c2cccc3ccccc32)oc1NCc1ccccc1Cl ZINC000002908132 556149684 /nfs/dbraw/zinc/14/96/84/556149684.db2.gz JJZXLXATKHPBHP-UHFFFAOYSA-N 0 0 442.839 5.872 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000002929688 556150126 /nfs/dbraw/zinc/15/01/26/556150126.db2.gz MAUBRTYUQRDORT-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(Cl)cc1Cl ZINC000002938852 556150318 /nfs/dbraw/zinc/15/03/18/556150318.db2.gz QINLCEZQZZEQTL-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002925019 556150705 /nfs/dbraw/zinc/15/07/05/556150705.db2.gz RJSPBEUTINPEAU-UHFFFAOYSA-N 0 0 445.875 5.488 50 0 IKAARN Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1nccs1 ZINC000002951303 556151563 /nfs/dbraw/zinc/15/15/63/556151563.db2.gz ABCDRMTVEBQTRA-NMWGTECJSA-N 0 0 440.322 5.445 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc2c(c1)OCO2 ZINC000002970027 556151862 /nfs/dbraw/zinc/15/18/62/556151862.db2.gz XYYBFHVOBHABJF-UHFFFAOYSA-N 0 0 436.920 5.119 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)c1ccc(Cl)cc1 ZINC000002970147 556151878 /nfs/dbraw/zinc/15/18/78/556151878.db2.gz RUABRPQCADYPMR-UHFFFAOYSA-N 0 0 434.948 5.268 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000002985545 556152105 /nfs/dbraw/zinc/15/21/05/556152105.db2.gz GOHZAGGAQFNQES-UHFFFAOYSA-N 0 0 445.544 5.801 50 0 IKAARN CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002974932 556152845 /nfs/dbraw/zinc/15/28/45/556152845.db2.gz LOLQRROIBBHHAH-UHFFFAOYSA-N 0 0 440.934 6.883 50 0 IKAARN CN(C)c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002974682 556152868 /nfs/dbraw/zinc/15/28/68/556152868.db2.gz DZMMUSKPXCTEKT-UHFFFAOYSA-N 0 0 439.950 6.551 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccc(Cl)cc2)cc1 ZINC000002974688 556152935 /nfs/dbraw/zinc/15/29/35/556152935.db2.gz FOXNJCYYADEJMX-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN CCN(c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)C1CCCCC1 ZINC000002975027 556153220 /nfs/dbraw/zinc/15/32/20/556153220.db2.gz ZBMZAYNENZPUBB-UHFFFAOYSA-N 0 0 430.983 6.900 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 ZINC000002980413 556153893 /nfs/dbraw/zinc/15/38/93/556153893.db2.gz SHTHXRJLXZROLX-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 ZINC000002979528 556153912 /nfs/dbraw/zinc/15/39/12/556153912.db2.gz DYCSCZILRYQBAI-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000002982890 556153924 /nfs/dbraw/zinc/15/39/24/556153924.db2.gz XBMNNMQKRBAAKI-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4OC)c3)nc2c1 ZINC000002982362 556153930 /nfs/dbraw/zinc/15/39/30/556153930.db2.gz LENYNMLFTYCDMN-UHFFFAOYSA-N 0 0 445.544 5.501 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000002983563 556154153 /nfs/dbraw/zinc/15/41/53/556154153.db2.gz UWNNFIGHFNQGKZ-UHFFFAOYSA-N 0 0 445.544 5.637 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 ZINC000002983095 556154226 /nfs/dbraw/zinc/15/42/26/556154226.db2.gz GCTTVLJSKCLYSK-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)c1C ZINC000003008314 556154566 /nfs/dbraw/zinc/15/45/66/556154566.db2.gz JSYXXMLIYYVFNP-UHFFFAOYSA-N 0 0 428.355 5.251 50 0 IKAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 ZINC000003011651 556155536 /nfs/dbraw/zinc/15/55/36/556155536.db2.gz LICYRNCXPDLYAF-ICSRJNTNSA-N 0 0 444.457 5.421 50 0 IKAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccccc4C)cc3N2)cc1 ZINC000003011683 556155543 /nfs/dbraw/zinc/15/55/43/556155543.db2.gz PELFPPGQBMYPCU-MJGOQNOKSA-N 0 0 430.430 5.113 50 0 IKAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 ZINC000003011644 556155627 /nfs/dbraw/zinc/15/56/27/556155627.db2.gz KQQNLEVBHLEXGC-HKUYNNGSSA-N 0 0 430.430 5.113 50 0 IKAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 ZINC000003011648 556155651 /nfs/dbraw/zinc/15/56/51/556155651.db2.gz LICYRNCXPDLYAF-AZUAARDMSA-N 0 0 444.457 5.421 50 0 IKAARN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)n2)cc1 ZINC000002998097 556156106 /nfs/dbraw/zinc/15/61/06/556156106.db2.gz LWKZPXPKYBTHTE-AWNIVKPZSA-N 0 0 437.590 5.469 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002994740 556156121 /nfs/dbraw/zinc/15/61/21/556156121.db2.gz GINYOMOTGWXXBV-UHFFFAOYSA-N 0 0 430.879 5.665 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000002998808 556156123 /nfs/dbraw/zinc/15/61/23/556156123.db2.gz AHELLKFFFBLQCK-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000002998309 556156127 /nfs/dbraw/zinc/15/61/27/556156127.db2.gz FAZSKJUSWWUYIB-UHFFFAOYSA-N 0 0 447.585 5.879 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000003006793 556156717 /nfs/dbraw/zinc/15/67/17/556156717.db2.gz CPDPBVWOZZBKOF-DEOSSOPVSA-N 0 0 449.522 5.278 50 0 IKAARN Brc1ccc(-c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 ZINC000003022439 556156978 /nfs/dbraw/zinc/15/69/78/556156978.db2.gz KKHLPDJSMAHKRH-UHFFFAOYSA-N 0 0 426.317 6.493 50 0 IKAARN CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(OCCCC)cc4)o3)cc2)cc1 ZINC000003030660 556157938 /nfs/dbraw/zinc/15/79/38/556157938.db2.gz DYLPXGHHZWOFGA-UHFFFAOYSA-N 0 0 440.587 7.982 50 0 IKAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000008383268 556158838 /nfs/dbraw/zinc/15/88/38/556158838.db2.gz GWQANDHBBDBMJY-PJEHFJQTSA-N 0 0 433.507 5.012 50 0 IKAARN CC(C)C(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000008383288 556158943 /nfs/dbraw/zinc/15/89/43/556158943.db2.gz KOIFSYMWNGJYQB-HSZRJFAPSA-N 0 0 435.907 5.716 50 0 IKAARN O=C(Oc1ccccc1)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000008383520 556159110 /nfs/dbraw/zinc/15/91/10/556159110.db2.gz FYQATTMOQGLLEI-UHFFFAOYSA-N 0 0 436.463 5.887 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383512 556159179 /nfs/dbraw/zinc/15/91/79/556159179.db2.gz GXKFLPQLRDEUCE-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1C ZINC000008383651 556159461 /nfs/dbraw/zinc/15/94/61/556159461.db2.gz DYTFSOJFGXUKIZ-UHFFFAOYSA-N 0 0 443.930 6.520 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3c(C)cc(C)cc23)cc1 ZINC000008383531 556159522 /nfs/dbraw/zinc/15/95/22/556159522.db2.gz WCDLTGJKBSKRTD-UHFFFAOYSA-N 0 0 428.463 5.697 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1C ZINC000008384104 556160001 /nfs/dbraw/zinc/16/00/01/556160001.db2.gz LRUVFJRVVKXGGY-UHFFFAOYSA-N 0 0 449.959 6.582 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 ZINC000008384545 556160329 /nfs/dbraw/zinc/16/03/29/556160329.db2.gz AOUHKBBOYPXIDG-AWEZNQCLSA-N 0 0 439.342 7.567 50 0 IKAARN COc1ccccc1[C@@H](Nc1ccccn1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000008385089 556160942 /nfs/dbraw/zinc/16/09/42/556160942.db2.gz QJBGJXQXWFQXPM-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN O=C1[C@@H](Oc2ccccc2)[C@]2(c3ccccc3)C[C@@H](c3ccccc3)Sc3ccccc3N12 ZINC000008385784 556161521 /nfs/dbraw/zinc/16/15/21/556161521.db2.gz QRYJUSMKRBSNCZ-YIKNKFAXSA-N 0 0 449.575 6.613 50 0 IKAARN COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000008386741 556162124 /nfs/dbraw/zinc/16/21/24/556162124.db2.gz UCFUGLYTZVPZHR-QHCPKHFHSA-N 0 0 426.438 6.078 50 0 IKAARN COc1ccc(-c2c3c(nc4c2CCCC4)sc2c3N[C@@H](c3ccccc3)NC2=O)cc1 ZINC000008386912 556162424 /nfs/dbraw/zinc/16/24/24/556162424.db2.gz YJKDTGSDHMIVRO-XMMPIXPASA-N 0 0 441.556 5.705 50 0 IKAARN CSc1nc2c(sc3nc(-c4cccs4)cc(-c4ccccc4)c32)c(SC)n1 ZINC000008386921 556162468 /nfs/dbraw/zinc/16/24/68/556162468.db2.gz QRCLTEPWHRXBLK-UHFFFAOYSA-N 0 0 437.640 7.079 50 0 IKAARN CCOc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1O ZINC000008396714 556163578 /nfs/dbraw/zinc/16/35/78/556163578.db2.gz WFJJQGIPNNPAOO-JTSKRJEESA-N 0 0 426.925 5.748 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccn1)Nc1ccc(Br)cc1-2 ZINC000008396877 556163872 /nfs/dbraw/zinc/16/38/72/556163872.db2.gz HKDABOBJFBJBHC-QGZVFWFLSA-N 0 0 444.358 5.091 50 0 IKAARN c1ccc(COc2ccc([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)cc2)cc1 ZINC000008397616 556164156 /nfs/dbraw/zinc/16/41/56/556164156.db2.gz VDUBVYWQKRFDKU-YTMVLYRLSA-N 0 0 432.523 6.508 50 0 IKAARN c1ccc(COc2cccc([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)c2)cc1 ZINC000008397636 556164214 /nfs/dbraw/zinc/16/42/14/556164214.db2.gz NROMPVSVWHCGPF-YTMVLYRLSA-N 0 0 432.523 6.508 50 0 IKAARN CC(C)(CNC(=O)c1ccc(Cl)cc1Cl)CNC(=O)c1ccc(Cl)cc1Cl ZINC000008397729 556164494 /nfs/dbraw/zinc/16/44/94/556164494.db2.gz ZVYVVBLREJQDPL-UHFFFAOYSA-N 0 0 448.177 5.486 50 0 IKAARN Brc1ccc(C2=CSC3=NN=C(c4ccccc4)[C@@H](c4ccccc4)N23)cc1 ZINC000008398212 556164699 /nfs/dbraw/zinc/16/46/99/556164699.db2.gz BISJVTOFDAXMTH-JOCHJYFZSA-N 0 0 446.373 6.312 50 0 IKAARN C1=C(c2ccc(-c3ccccc3)cc2)N2C(=NN=C(c3ccccc3)[C@@H]2c2ccccc2)S1 ZINC000008398235 556164714 /nfs/dbraw/zinc/16/47/14/556164714.db2.gz GSPXACBGIFHMGG-NDEPHWFRSA-N 0 0 443.575 7.216 50 0 IKAARN FC(F)(F)c1ccc(Cl)c(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000008398198 556164744 /nfs/dbraw/zinc/16/47/44/556164744.db2.gz BWXBGYOYBJHZGE-UFSNDUKISA-N 0 0 426.869 7.380 50 0 IKAARN COc1ccc(-n2c(-c3ccccc3OC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000008400146 556165987 /nfs/dbraw/zinc/16/59/87/556165987.db2.gz OOHGFGOVNXOWIV-UHFFFAOYSA-N 0 0 448.478 5.281 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)C(=O)c3ccccc3-4)[nH]2)cc1 ZINC000008408182 556166823 /nfs/dbraw/zinc/16/68/23/556166823.db2.gz NXPKNYBRJICSQH-UHFFFAOYSA-N 0 0 428.491 6.631 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008405273 556166842 /nfs/dbraw/zinc/16/68/42/556166842.db2.gz FKEXIJSVODULPF-XMMPIXPASA-N 0 0 429.976 7.128 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1 ZINC000008424556 556167960 /nfs/dbraw/zinc/16/79/60/556167960.db2.gz PNBZRXZGXJFIFN-UHFFFAOYSA-N 0 0 430.507 6.650 50 0 IKAARN O=C(Nc1ccc(Br)cc1)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1 ZINC000008424686 556168004 /nfs/dbraw/zinc/16/80/04/556168004.db2.gz XOVWYFUAUDNDBI-LDADJPATSA-N 0 0 445.700 5.105 50 0 IKAARN c1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000008426415 556168811 /nfs/dbraw/zinc/16/88/11/556168811.db2.gz SRUGWLZRNSAQHW-UHFFFAOYSA-N 0 0 438.534 7.263 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000008426732 556169033 /nfs/dbraw/zinc/16/90/33/556169033.db2.gz PBRBUFIYYBBYBH-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000008426623 556169080 /nfs/dbraw/zinc/16/90/80/556169080.db2.gz VKTHWCUSUZHQKJ-JTHBVZDNSA-N 0 0 437.312 6.139 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000008426632 556169137 /nfs/dbraw/zinc/16/91/37/556169137.db2.gz JTOHHIUGYCNVHE-DYESRHJHSA-N 0 0 429.328 5.807 50 0 IKAARN FC(F)(F)c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000008427274 556169559 /nfs/dbraw/zinc/16/95/59/556169559.db2.gz SYLIGYQTVHGAKM-OAQYLSRUSA-N 0 0 435.276 7.368 50 0 IKAARN Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(c(-c4cccnc4)c12)CCC3 ZINC000008427323 556169739 /nfs/dbraw/zinc/16/97/39/556169739.db2.gz YXECNSONDDTWNN-UHFFFAOYSA-N 0 0 429.589 5.828 50 0 IKAARN O=C(Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c21)c1ccco1 ZINC000008429858 556169908 /nfs/dbraw/zinc/16/99/08/556169908.db2.gz YRZCNUMMKJWOFR-UHFFFAOYSA-N 0 0 429.526 6.355 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000008430027 556170252 /nfs/dbraw/zinc/17/02/52/556170252.db2.gz LSEFRFXCYUDJGN-LNOKMCRLSA-N 0 0 428.963 6.889 50 0 IKAARN c1csc(C(c2cccs2)c2ccc(C(c3cccs3)c3cccs3)s2)c1 ZINC000008431269 556170803 /nfs/dbraw/zinc/17/08/03/556170803.db2.gz OVXUSLRBHZDMIR-UHFFFAOYSA-N 0 0 440.705 8.355 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000008431611 556171180 /nfs/dbraw/zinc/17/11/80/556171180.db2.gz PTTWWHYHBOAEDB-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000008431668 556171406 /nfs/dbraw/zinc/17/14/06/556171406.db2.gz WBKNHCQLPMRUBW-RKVPQODOSA-N 0 0 426.947 6.777 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(Nc3ccc(Br)cc3)n2)c(Cl)c1 ZINC000008431829 556171410 /nfs/dbraw/zinc/17/14/10/556171410.db2.gz NGNUDGYXSHASJF-UHFFFAOYSA-N 0 0 445.147 7.110 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 ZINC000008432151 556171416 /nfs/dbraw/zinc/17/14/16/556171416.db2.gz BLYJFJOYWDBESV-QGZVFWFLSA-N 0 0 433.573 6.359 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CC[C@H](C)C2 ZINC000008432153 556171527 /nfs/dbraw/zinc/17/15/27/556171527.db2.gz BLYJFJOYWDBESV-KRWDZBQOSA-N 0 0 433.573 6.359 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C(=O)O2)cc1 ZINC000008432044 556171537 /nfs/dbraw/zinc/17/15/37/556171537.db2.gz CPYJYQJQUKLJPB-JLPGSUDCSA-N 0 0 429.491 6.047 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccccc1 ZINC000008432348 556171806 /nfs/dbraw/zinc/17/18/06/556171806.db2.gz CYGKPEUBZRMLNW-NRFANRHFSA-N 0 0 435.321 5.449 50 0 IKAARN C/C=C/c1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(OC)c1 ZINC000008432515 556171839 /nfs/dbraw/zinc/17/18/39/556171839.db2.gz BODJXCDTUSLHQU-ZZXKWVIFSA-N 0 0 446.934 5.838 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008432492 556171899 /nfs/dbraw/zinc/17/18/99/556171899.db2.gz YEVGJNZTMNOWST-UHFFFAOYSA-N 0 0 439.577 5.755 50 0 IKAARN CCOC(=O)c1c(-c2cc(C)c(C)c(C)c2)csc1NC(=O)c1ccc2ccccc2c1 ZINC000008433046 556172410 /nfs/dbraw/zinc/17/24/10/556172410.db2.gz SSJHDJSCOCECOH-UHFFFAOYSA-N 0 0 443.568 6.923 50 0 IKAARN COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc(OC)c1OC ZINC000008433118 556172423 /nfs/dbraw/zinc/17/24/23/556172423.db2.gz DAJBAAQACVTYSQ-AFMDSPMNSA-N 0 0 431.557 6.243 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 ZINC000008433132 556172463 /nfs/dbraw/zinc/17/24/63/556172463.db2.gz RLQACCHLCBDISL-UHFFFAOYSA-N 0 0 431.605 5.844 50 0 IKAARN COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc(OC)c1OC ZINC000008433119 556172478 /nfs/dbraw/zinc/17/24/78/556172478.db2.gz DAJBAAQACVTYSQ-SIBVEZHUSA-N 0 0 431.557 6.243 50 0 IKAARN O=C1[C@H](C(OCc2ccccc2)=C(F)F)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000008436874 556173291 /nfs/dbraw/zinc/17/32/91/556173291.db2.gz BJPNNCFFOKZBGS-LEWJYISDSA-N 0 0 425.862 6.369 50 0 IKAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1cccc(Cl)c1 ZINC000008435621 556173385 /nfs/dbraw/zinc/17/33/85/556173385.db2.gz DHJKRDFSIQWCIE-UHFFFAOYSA-N 0 0 428.897 5.001 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)cc1 ZINC000008437809 556173855 /nfs/dbraw/zinc/17/38/55/556173855.db2.gz TZANPSOEPKZSKT-UHFFFAOYSA-N 0 0 442.563 5.706 50 0 IKAARN O=C1CS[C@]2(SC(/C=C/c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 ZINC000008438001 556174367 /nfs/dbraw/zinc/17/43/67/556174367.db2.gz AXFALCCTGMJPEO-JOPBRCQMSA-N 0 0 429.570 5.658 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C(C)(C)C)C4)cc1 ZINC000008438948 556174863 /nfs/dbraw/zinc/17/48/63/556174863.db2.gz RBEMTVLQFMOKBA-SFHVURJKSA-N 0 0 447.600 6.846 50 0 IKAARN COC(=O)[C@H]1C(C)=C(c2ccccc2)S[C@@]1(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000008438831 556174935 /nfs/dbraw/zinc/17/49/35/556174935.db2.gz NUQHBZPRXOLJTQ-GJZUVCINSA-N 0 0 426.541 5.774 50 0 IKAARN CCCCC(=O)Nc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000008439116 556175178 /nfs/dbraw/zinc/17/51/78/556175178.db2.gz FKKNUBXYIVLDNO-UHFFFAOYSA-N 0 0 425.326 5.983 50 0 IKAARN Cc1cc2cc(N(C(=O)c3ccccc3)S(=O)(=O)c3cc(C)c(C)cc3C)ccc2o1 ZINC000008439303 556175500 /nfs/dbraw/zinc/17/55/00/556175500.db2.gz GBSSHHZNGYOCDB-UHFFFAOYSA-N 0 0 433.529 5.702 50 0 IKAARN C[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c4ccccc34)c2C1 ZINC000008439282 556175506 /nfs/dbraw/zinc/17/55/06/556175506.db2.gz LARANPFIXPUHNA-KRWDZBQOSA-N 0 0 447.600 6.809 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000008440006 556176073 /nfs/dbraw/zinc/17/60/73/556176073.db2.gz HGULZIZJVDBRTI-AAEUAGOBSA-N 0 0 432.373 5.499 50 0 IKAARN CCCCCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 ZINC000008439997 556176147 /nfs/dbraw/zinc/17/61/47/556176147.db2.gz SKXDTWYOQXXOQF-UHFFFAOYSA-N 0 0 445.585 6.181 50 0 IKAARN Cc1ccc2c(Cl)c(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)sc2c1 ZINC000008440007 556176164 /nfs/dbraw/zinc/17/61/64/556176164.db2.gz AKQJQDSVWKJNOO-UHFFFAOYSA-N 0 0 449.985 6.398 50 0 IKAARN O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2 ZINC000008440449 556176548 /nfs/dbraw/zinc/17/65/48/556176548.db2.gz PIHCEHDTDLRIMK-UHFFFAOYSA-N 0 0 438.980 6.104 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 ZINC000008442223 556177180 /nfs/dbraw/zinc/17/71/80/556177180.db2.gz IUEONDMREDACST-WHLIWEHUSA-N 0 0 446.660 7.644 50 0 IKAARN Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 ZINC000008442547 556177397 /nfs/dbraw/zinc/17/73/97/556177397.db2.gz KWTCVVNMQUHIDY-HMAPJEAMSA-N 0 0 448.316 5.681 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 ZINC000008442421 556177448 /nfs/dbraw/zinc/17/74/48/556177448.db2.gz DCFOVYZGPBTUDA-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 ZINC000008442769 556177714 /nfs/dbraw/zinc/17/77/14/556177714.db2.gz OONMABNCULGBQV-GOEBONIOSA-N 0 0 435.837 5.153 50 0 IKAARN Cc1cc(F)ccc1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000008442726 556177789 /nfs/dbraw/zinc/17/77/89/556177789.db2.gz SOXDKMVCXMBQOU-UHFFFAOYSA-N 0 0 439.434 5.714 50 0 IKAARN c1csc(C2=NN(c3nc(-c4ccc5ccccc5c4)cs3)[C@H](c3ccoc3)C2)c1 ZINC000008443510 556178402 /nfs/dbraw/zinc/17/84/02/556178402.db2.gz XSNWULPHIZDYFM-QFIPXVFZSA-N 0 0 427.554 6.974 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000008444417 556178983 /nfs/dbraw/zinc/17/89/83/556178983.db2.gz QGXLRPBMOJPXQK-DGCLKSJQSA-N 0 0 432.899 5.321 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4)c3N2)cc1 ZINC000008444656 556179319 /nfs/dbraw/zinc/17/93/19/556179319.db2.gz HGPIEWULRCWKKL-ROUUACIJSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(I)cc3)n2)cc1 ZINC000008445445 556179634 /nfs/dbraw/zinc/17/96/34/556179634.db2.gz ANLVDXIKBOGZLW-UHFFFAOYSA-N 0 0 447.319 6.996 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H](C)c1ccccc1)CCCCC2 ZINC000008445631 556179868 /nfs/dbraw/zinc/17/98/68/556179868.db2.gz JIFWUKDCMDRKAE-GOSISDBHSA-N 0 0 432.589 6.069 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H](C)c1ccccc1)CCCCC2 ZINC000008445630 556179892 /nfs/dbraw/zinc/17/98/92/556179892.db2.gz JIFWUKDCMDRKAE-SFHVURJKSA-N 0 0 432.589 6.069 50 0 IKAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCC3)cc1 ZINC000008445641 556180166 /nfs/dbraw/zinc/18/01/66/556180166.db2.gz WPIIRNKFZGLQFD-UHFFFAOYSA-N 0 0 448.588 5.768 50 0 IKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1Br ZINC000008446443 556180443 /nfs/dbraw/zinc/18/04/43/556180443.db2.gz GKFMRMPCKSKSNT-GXDHUFHOSA-N 0 0 447.332 5.636 50 0 IKAARN COc1ccc(-c2cc(-c3cccs3)nc3sc(C(=O)c4ccccc4)c(N)c32)cc1 ZINC000008448457 556180446 /nfs/dbraw/zinc/18/04/46/556180446.db2.gz AKEGIHNTIKTYKA-UHFFFAOYSA-N 0 0 442.565 6.514 50 0 IKAARN CC(C)(C)N(C=C(Cl)Cl)C(=O)NCCNC(=O)N(C=C(Cl)Cl)C(C)(C)C ZINC000003058824 556180699 /nfs/dbraw/zinc/18/06/99/556180699.db2.gz OCINCXASXQENTN-UHFFFAOYSA-N 0 0 448.222 5.160 50 0 IKAARN COc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(Cl)cc5)c(N)c42)CCC3)cc1 ZINC000008450763 556181571 /nfs/dbraw/zinc/18/15/71/556181571.db2.gz SCVZTEYRKPSSKO-UHFFFAOYSA-N 0 0 449.963 5.949 50 0 IKAARN Nc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000008450967 556181810 /nfs/dbraw/zinc/18/18/10/556181810.db2.gz YVXVQXOMFZQKDU-UHFFFAOYSA-N 0 0 440.418 6.135 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccccc4)sc3n2)cc1 ZINC000008451162 556181892 /nfs/dbraw/zinc/18/18/92/556181892.db2.gz RXTDXFWFZSMVLX-UHFFFAOYSA-N 0 0 428.435 5.804 50 0 IKAARN Cc1ccnc(NC(=O)c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)c1 ZINC000008452579 556183054 /nfs/dbraw/zinc/18/30/54/556183054.db2.gz BNIRVHDZCPHCDD-UHFFFAOYSA-N 0 0 435.527 5.803 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000008452531 556183168 /nfs/dbraw/zinc/18/31/68/556183168.db2.gz WXPBHFKNYWAVNB-GOSISDBHSA-N 0 0 434.967 6.533 50 0 IKAARN CC(=O)Oc1cccc(/C=C/c2ccc3cccc(OCc4ccccc4Cl)c3n2)c1 ZINC000008453130 556183691 /nfs/dbraw/zinc/18/36/91/556183691.db2.gz MEGVHZLDPICURF-WYMLVPIESA-N 0 0 429.903 6.563 50 0 IKAARN COC(=O)c1ccc(/C=C/c2ccc3cccc(OCc4ccccc4Cl)c3n2)cc1 ZINC000008453133 556183756 /nfs/dbraw/zinc/18/37/56/556183756.db2.gz SUYFKNPNLZQDKM-RVDMUPIBSA-N 0 0 429.903 6.424 50 0 IKAARN O=c1c2c(nc3n1N=C(c1ccc(-c4ccccc4)cc1)CS3)sc1c2CCCC1 ZINC000008453268 556184037 /nfs/dbraw/zinc/18/40/37/556184037.db2.gz VSPANDIHKULTSK-UHFFFAOYSA-N 0 0 429.570 5.362 50 0 IKAARN COc1ccc(NC(=O)c2cccc(NC(=O)COc3cccc4ccccc43)c2)cc1 ZINC000008453380 556184475 /nfs/dbraw/zinc/18/44/75/556184475.db2.gz LFHHGNDTUHNITR-UHFFFAOYSA-N 0 0 426.472 5.118 50 0 IKAARN CCCc1ccc(-c2ccc(C(=O)Nc3ccccc3I)cc2)nc1 ZINC000008453707 556184670 /nfs/dbraw/zinc/18/46/70/556184670.db2.gz TVCQBSFAQWVSDE-UHFFFAOYSA-N 0 0 442.300 5.558 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000008453790 556184706 /nfs/dbraw/zinc/18/47/06/556184706.db2.gz VKPWWTWMAVNDQQ-PKXQOCIKSA-N 0 0 443.628 6.317 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000008454182 556184996 /nfs/dbraw/zinc/18/49/96/556184996.db2.gz AIBZICVOIMSOSW-UHFFFAOYSA-N 0 0 449.019 7.285 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3nnc(C(C)(C)CC)s3)c3ccccc3n2)c1 ZINC000008454332 556185124 /nfs/dbraw/zinc/18/51/24/556185124.db2.gz OQKWEFOKBVYOJO-UHFFFAOYSA-N 0 0 446.576 6.092 50 0 IKAARN COc1ccccc1OCc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)o1 ZINC000008455195 556185224 /nfs/dbraw/zinc/18/52/24/556185224.db2.gz ALRSPHXLKVWKOU-UHFFFAOYSA-N 0 0 443.455 6.028 50 0 IKAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)N1 ZINC000008455212 556185575 /nfs/dbraw/zinc/18/55/75/556185575.db2.gz JIFXVPMSIYRTSB-SFHVURJKSA-N 0 0 447.240 5.045 50 0 IKAARN Cc1ccccc1-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)n1 ZINC000008583988 556187970 /nfs/dbraw/zinc/18/79/70/556187970.db2.gz GFBUIYFWWYPBMS-UHFFFAOYSA-N 0 0 444.495 5.119 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccc(Br)cc1-2 ZINC000008589910 556188596 /nfs/dbraw/zinc/18/85/96/556188596.db2.gz OFZIFCRINFZUBS-OAHLLOKOSA-N 0 0 435.372 5.368 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccc(C)cc1C ZINC000008590504 556188650 /nfs/dbraw/zinc/18/86/50/556188650.db2.gz HKKBQFBAPKRGRW-UHFFFAOYSA-N 0 0 444.531 6.261 50 0 IKAARN CCCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(F)cc1C ZINC000008590444 556188653 /nfs/dbraw/zinc/18/86/53/556188653.db2.gz UVOGMKKTLLONAG-UHFFFAOYSA-N 0 0 445.512 5.303 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccc2c(Cl)cccc12 ZINC000008590625 556188955 /nfs/dbraw/zinc/18/89/55/556188955.db2.gz ORIHZYDHWQZYBH-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1C ZINC000008590665 556188969 /nfs/dbraw/zinc/18/89/69/556188969.db2.gz NLIFHVBUDJAZQA-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1noc3c1C[C@H](C(C)(C)C)CC3)CCCC2 ZINC000008592916 556189650 /nfs/dbraw/zinc/18/96/50/556189650.db2.gz IQFHQUCEMLTHHH-CYBMUJFWSA-N 0 0 430.570 5.195 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C)c(C)c3)C2=O)cc1 ZINC000008594765 556189883 /nfs/dbraw/zinc/18/98/83/556189883.db2.gz WMLDCZIWAFGFAH-AREMUKBSSA-N 0 0 428.557 5.091 50 0 aggregator IKAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008604625 556191366 /nfs/dbraw/zinc/19/13/66/556191366.db2.gz SWPZJCZUXVEZBC-IBGZPJMESA-N 0 0 446.450 5.507 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000008606781 556191635 /nfs/dbraw/zinc/19/16/35/556191635.db2.gz SHQAWEMORYRKRK-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN Cc1cc(SCSc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)cc1Cl ZINC000008618044 556192928 /nfs/dbraw/zinc/19/29/28/556192928.db2.gz RVCUEBYOZSOQKS-UHFFFAOYSA-N 0 0 430.866 7.836 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1OC ZINC000008625095 556193554 /nfs/dbraw/zinc/19/35/54/556193554.db2.gz FZZGHBHUQKJSPI-FQEVSTJZSA-N 0 0 447.585 6.245 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000008626719 556193836 /nfs/dbraw/zinc/19/38/36/556193836.db2.gz UXQLQVGGHIQEGB-UHFFFAOYSA-N 0 0 443.277 6.811 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)Nc2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000008628248 556194130 /nfs/dbraw/zinc/19/41/30/556194130.db2.gz YTCFPDURLWGEAI-UHFFFAOYSA-N 0 0 444.362 6.909 50 0 IKAARN FC(F)(F)c1cc(C(F)(F)F)c(Br)c(-n2cccc2)c1Br ZINC000008629739 556194172 /nfs/dbraw/zinc/19/41/72/556194172.db2.gz VXUNOVNEGMBSSX-UHFFFAOYSA-N 0 0 436.975 6.040 50 0 IKAARN Cc1ccc(-n2c(=O)[nH]c3c(oc4nc(-c5ccccc5)cc(-c5ccccc5)c43)c2=O)cc1 ZINC000008636642 556194356 /nfs/dbraw/zinc/19/43/56/556194356.db2.gz ISZNUMLCDLSLOJ-UHFFFAOYSA-N 0 0 445.478 5.463 50 0 IKAARN CCOC(=O)c1c(NC(=O)Nc2cccc(C(F)(F)F)c2)sc2c1CC[C@@H](C)C2 ZINC000008636652 556194444 /nfs/dbraw/zinc/19/44/44/556194444.db2.gz RZFLDBZPIGNJRR-LLVKDONJSA-N 0 0 426.460 5.712 50 0 IKAARN Clc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3)n2)cc1 ZINC000008636922 556194764 /nfs/dbraw/zinc/19/47/64/556194764.db2.gz ZGBYVCKZRQRAAN-UHFFFAOYSA-N 0 0 443.963 6.505 50 0 IKAARN FC(F)(F)c1cc(C(F)(F)F)n2ncc(-c3nc(-c4ccc(Cl)cc4)cs3)c2n1 ZINC000008648392 556195956 /nfs/dbraw/zinc/19/59/56/556195956.db2.gz MUWFUQWNYWJTCC-UHFFFAOYSA-N 0 0 448.779 6.211 50 0 IKAARN COc1ccc2c(c1)CC[C@H]1C2=Nc2ccccc2S[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008648243 556195993 /nfs/dbraw/zinc/19/59/93/556195993.db2.gz JDGSXMVNFYUHTA-RDPSFJRHSA-N 0 0 439.502 7.244 50 0 IKAARN CN(C)c1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)Sc2ccccc2N)cc1 ZINC000008648186 556196001 /nfs/dbraw/zinc/19/60/01/556196001.db2.gz NCNZYHUSNFCARR-HHHXNRCGSA-N 0 0 426.585 6.594 50 0 IKAARN CCOC(=O)C[C@@H]1Sc2ccccc2N=C1SCC(=O)Nc1ccc(Cl)cc1 ZINC000008648472 556196272 /nfs/dbraw/zinc/19/62/72/556196272.db2.gz SGLSOTPCRPUFGA-KRWDZBQOSA-N 0 0 434.970 5.169 50 0 IKAARN O[C@@H](c1ccccc1OCc1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000008648619 556196300 /nfs/dbraw/zinc/19/63/00/556196300.db2.gz XUUPVLCDSKGUPG-QTJAHOOZSA-N 0 0 448.006 6.711 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OCCSCc1ccc2nc(C(F)(F)F)ccc2c1 ZINC000008648526 556196305 /nfs/dbraw/zinc/19/63/05/556196305.db2.gz JQZJILRCARLBGQ-UHFFFAOYSA-N 0 0 440.874 6.389 50 0 IKAARN CCCCOc1cc(C(F)(F)F)nc2ccc(CSc3nc4ccccc4[nH]3)cc21 ZINC000008648864 556196608 /nfs/dbraw/zinc/19/66/08/556196608.db2.gz JHDQQMMFEKKZGJ-UHFFFAOYSA-N 0 0 431.483 6.601 50 0 IKAARN COc1cc(NC(=S)Nc2ccc(Br)cc2Cl)c(OC)cc1Cl ZINC000008682759 556199246 /nfs/dbraw/zinc/19/92/46/556199246.db2.gz IDQGBIVWYOAXPE-UHFFFAOYSA-N 0 0 436.158 5.582 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000008715772 556202025 /nfs/dbraw/zinc/20/20/25/556202025.db2.gz QXNFDMKPBBJSAR-RUZDIDTESA-N 0 0 437.499 5.312 50 0 IKAARN Cc1ccccc1C1=N/C(=C/c2cccc(OCc3ccccc3Br)c2)C(=O)O1 ZINC000097432679 556202750 /nfs/dbraw/zinc/20/27/50/556202750.db2.gz PTEYJZGFOHROLV-HYARGMPZSA-N 0 0 448.316 5.681 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(Cl)cc1 ZINC000008722003 556203011 /nfs/dbraw/zinc/20/30/11/556203011.db2.gz WRVMFSCCXCZSAL-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN O=C1N[C@@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000008721979 556203060 /nfs/dbraw/zinc/20/30/60/556203060.db2.gz GMOYKFKZDHZAQV-HXUWFJFHSA-N 0 0 444.387 5.467 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Oc4ccccc4)cc3)sc2c1 ZINC000008721921 556203075 /nfs/dbraw/zinc/20/30/75/556203075.db2.gz VOLHTXNLXZATIG-UHFFFAOYSA-N 0 0 436.536 7.316 50 0 IKAARN Clc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000008723348 556203678 /nfs/dbraw/zinc/20/36/78/556203678.db2.gz YELPVVCUYUGISM-OAQYLSRUSA-N 0 0 432.936 5.987 50 0 IKAARN CCCSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000008733722 556204399 /nfs/dbraw/zinc/20/43/99/556204399.db2.gz ZMBCJQSPLIOHHD-UHFFFAOYSA-N 0 0 425.604 6.361 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3SCC(=O)Nc3ccccc3)c2c2c1CCC2 ZINC000008738892 556205541 /nfs/dbraw/zinc/20/55/41/556205541.db2.gz KJTVGRYBPAHFCB-UHFFFAOYSA-N 0 0 448.617 5.658 50 0 IKAARN O=C(Nc1nnc(-c2ccccc2SCc2ccccc2)s1)Nc1ccc(F)cc1 ZINC000008742588 556207359 /nfs/dbraw/zinc/20/73/59/556207359.db2.gz ZIFIBNQVSAQDIO-UHFFFAOYSA-N 0 0 436.537 6.281 50 0 IKAARN CCCCOc1ccc(Cn2c3ccccc3nc2[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000008744047 556208434 /nfs/dbraw/zinc/20/84/34/556208434.db2.gz DKDBDRQYMMBLFI-HSZRJFAPSA-N 0 0 440.631 7.614 50 0 IKAARN CCCCOc1ccc(Cn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000008744046 556208529 /nfs/dbraw/zinc/20/85/29/556208529.db2.gz DKDBDRQYMMBLFI-QHCPKHFHSA-N 0 0 440.631 7.614 50 0 IKAARN Cc1csc(-n2c(C)cc(C(=O)CSc3nnc(C)n3C3CCCCC3)c2C)n1 ZINC000008745770 556209487 /nfs/dbraw/zinc/20/94/87/556209487.db2.gz MOJVULFHZSFAMW-UHFFFAOYSA-N 0 0 429.615 5.239 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1 ZINC000008768818 556212930 /nfs/dbraw/zinc/21/29/30/556212930.db2.gz OLJQJCNDFMPJRD-UHFFFAOYSA-N 0 0 445.950 5.523 50 0 IKAARN COc1cc(NCc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)ccc1NC(C)=O ZINC000097465974 556214921 /nfs/dbraw/zinc/21/49/21/556214921.db2.gz FWVDKXBXSKQBNX-UHFFFAOYSA-N 0 0 433.339 5.126 50 0 IKAARN Cc1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2-c2ccccc2)cc1 ZINC000008788302 556215322 /nfs/dbraw/zinc/21/53/22/556215322.db2.gz VVSNGOAXZXQUAV-KRWDZBQOSA-N 0 0 439.544 5.333 50 0 IKAARN CC(C)(C)c1oc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1COCC(F)(F)F ZINC000008815720 556217158 /nfs/dbraw/zinc/21/71/58/556217158.db2.gz KVWWNAPFWHTHBA-UHFFFAOYSA-N 0 0 445.437 6.808 50 0 IKAARN Cc1ccc(C2(c3ccc(C)cc3)O[C@H](c3ccccc3Cl)Nc3ccccc32)cc1 ZINC000008816248 556217413 /nfs/dbraw/zinc/21/74/13/556217413.db2.gz ZAWHAXHDACTFES-HHHXNRCGSA-N 0 0 425.959 7.390 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccccc1Cl ZINC000008817811 556218385 /nfs/dbraw/zinc/21/83/85/556218385.db2.gz UCIABARSJMMPPG-OUKQBFOZSA-N 0 0 437.724 5.972 50 0 IKAARN Clc1cc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2c(c1)COCO2 ZINC000008825752 556224247 /nfs/dbraw/zinc/22/42/47/556224247.db2.gz YBJVSUNUSLCMID-UHFFFAOYSA-N 0 0 435.936 5.747 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2c1 ZINC000008830848 556225146 /nfs/dbraw/zinc/22/51/46/556225146.db2.gz VHGODDLOAYQGID-UHFFFAOYSA-N 0 0 434.923 6.598 50 0 IKAARN CCOc1ccc([C@H]2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1OC ZINC000008829804 556225221 /nfs/dbraw/zinc/22/52/21/556225221.db2.gz HXURILCBOQNDPH-KBTRNUBCSA-N 0 0 439.581 5.031 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000008831881 556225402 /nfs/dbraw/zinc/22/54/02/556225402.db2.gz CKJLSCOOCDYFBV-UHFFFAOYSA-N 0 0 447.705 6.473 50 0 IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000008831875 556225437 /nfs/dbraw/zinc/22/54/37/556225437.db2.gz PLLGTGNATWENQB-UHFFFAOYSA-N 0 0 441.531 6.263 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c(Cl)c1 ZINC000008836544 556226008 /nfs/dbraw/zinc/22/60/08/556226008.db2.gz KXQDIKVUBAADQW-FXAWDEMLSA-N 0 0 435.763 6.951 50 0 IKAARN Cc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1C ZINC000008857155 556227775 /nfs/dbraw/zinc/22/77/75/556227775.db2.gz ZGRVOHJAEXTBEN-UHFFFAOYSA-N 0 0 428.879 5.373 50 0 IKAARN Cc1cc(Br)cc2c(C(=O)NC3CCCCC3)cc(-c3cccs3)nc12 ZINC000008919315 556233054 /nfs/dbraw/zinc/23/30/54/556233054.db2.gz LVTXTAWFTHXMKP-UHFFFAOYSA-N 0 0 429.383 6.097 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 ZINC000008919410 556233142 /nfs/dbraw/zinc/23/31/42/556233142.db2.gz GAIVYZOUHFMQQQ-UHFFFAOYSA-N 0 0 432.545 6.403 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000008919340 556233148 /nfs/dbraw/zinc/23/31/48/556233148.db2.gz ATKOXSKUUCLAKR-UHFFFAOYSA-N 0 0 448.591 7.216 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000008920610 556233349 /nfs/dbraw/zinc/23/33/49/556233349.db2.gz YMRYHPHGRFYXRJ-UHFFFAOYSA-N 0 0 442.584 7.029 50 0 IKAARN CCOc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000008922706 556233827 /nfs/dbraw/zinc/23/38/27/556233827.db2.gz RABIIEYBWSXKTL-SANMLTNESA-N 0 0 449.934 5.055 50 0 IKAARN COc1ccc([C@H]2C[C@@](C)(c3ccc(OC)cc3OC)Nc3ccccc3N2)c(OC)c1 ZINC000008926440 556234488 /nfs/dbraw/zinc/23/44/88/556234488.db2.gz JWVZTZOXYYWLSE-BVAGGSTKSA-N 0 0 434.536 5.605 50 0 IKAARN CCc1cccc2sc(N(Cc3ccccn3)C(=O)CSCc3ccccc3)nc21 ZINC000010610756 556235160 /nfs/dbraw/zinc/23/51/60/556235160.db2.gz CCFNVTLJGQZOEP-UHFFFAOYSA-N 0 0 433.602 5.720 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(CSc2ccccc2)o1 ZINC000008951758 556235841 /nfs/dbraw/zinc/23/58/41/556235841.db2.gz CKKMMGCGRMYHRQ-UHFFFAOYSA-N 0 0 440.977 6.525 50 0 IKAARN COc1cc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(C)(C)C=C2C ZINC000008986363 556238228 /nfs/dbraw/zinc/23/82/28/556238228.db2.gz XDEYVWUHPONOQO-UHFFFAOYSA-N 0 0 445.606 7.685 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000008994553 556239385 /nfs/dbraw/zinc/23/93/85/556239385.db2.gz MLHPJDNJFWFVHE-UHFFFAOYSA-N 0 0 430.335 5.148 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000009027294 556241643 /nfs/dbraw/zinc/24/16/43/556241643.db2.gz OVWROFOXSJGFIW-UHFFFAOYSA-N 0 0 445.563 6.346 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)Nc1ccc(Cl)cc1Cl ZINC000009041254 556241958 /nfs/dbraw/zinc/24/19/58/556241958.db2.gz AKZFPPLHFACIDZ-UHFFFAOYSA-N 0 0 448.162 6.387 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000009057009 556243147 /nfs/dbraw/zinc/24/31/47/556243147.db2.gz MIPNVFAJZXAGSV-NZQKXSOJSA-N 0 0 435.321 5.700 50 0 IKAARN COCCOc1ncccc1C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000097543036 556243273 /nfs/dbraw/zinc/24/32/73/556243273.db2.gz HJESGNDGVCMNOB-INIZCTEOSA-N 0 0 425.916 5.186 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1Br ZINC000009065537 556244751 /nfs/dbraw/zinc/24/47/51/556244751.db2.gz RMKRCXPWSHCTTM-UHFFFAOYSA-N 0 0 438.281 5.303 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2C(=O)C1 ZINC000009076185 556245175 /nfs/dbraw/zinc/24/51/75/556245175.db2.gz APQKMQDHVQNYFR-UHFFFAOYSA-N 0 0 433.455 5.305 50 0 IKAARN COc1ccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2ccc3ccccc3n2)cc1OC ZINC000009090912 556246088 /nfs/dbraw/zinc/24/60/88/556246088.db2.gz RSZIVBFIHKXPIZ-AREMUKBSSA-N 0 0 437.499 5.174 50 0 IKAARN COc1ccccc1-n1c(-c2ccc3ccccc3c2)cs/c1=N\C(=O)c1ccccc1 ZINC000097549963 556246120 /nfs/dbraw/zinc/24/61/20/556246120.db2.gz LMDCSNCUMXNHAH-DQSJHHFOSA-N 0 0 436.536 6.109 50 0 IKAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(OCCOc2ccccc2)cc1 ZINC000009095019 556246454 /nfs/dbraw/zinc/24/64/54/556246454.db2.gz OMADAYMDGYTAOU-UHFFFAOYSA-N 0 0 444.531 5.023 50 0 IKAARN O=C(Nc1nnc(CSc2ccccc2)s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000009095480 556246532 /nfs/dbraw/zinc/24/65/32/556246532.db2.gz VRNACSGFKGIXEY-UHFFFAOYSA-N 0 0 446.557 5.335 50 0 IKAARN CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)c1 ZINC000009095735 556247048 /nfs/dbraw/zinc/24/70/48/556247048.db2.gz PBCQNWULJOMIIL-UHFFFAOYSA-N 0 0 444.560 5.236 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc([C@@H]4CC4(Cl)Cl)cc3)o2)cc1 ZINC000009145864 556249592 /nfs/dbraw/zinc/24/95/92/556249592.db2.gz CYDBQBNXCURYJY-INIZCTEOSA-N 0 0 435.332 5.381 50 0 IKAARN CCCc1nc2oc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1COC(C)(C)C2 ZINC000009183452 556250092 /nfs/dbraw/zinc/25/00/92/556250092.db2.gz KTMVTDOFLYZTBF-UHFFFAOYSA-N 0 0 443.341 5.207 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)cc1 ZINC000009190823 556252944 /nfs/dbraw/zinc/25/29/44/556252944.db2.gz GQSKXCNCENNJKT-UHFFFAOYSA-N 0 0 427.371 5.363 50 0 IKAARN COc1c(Cl)cc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl ZINC000009192654 556254134 /nfs/dbraw/zinc/25/41/34/556254134.db2.gz REBYASJLPSUXFA-UHFFFAOYSA-N 0 0 428.275 5.135 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1Cl ZINC000009194807 556254550 /nfs/dbraw/zinc/25/45/50/556254550.db2.gz MEFJBHBXKUTISC-UHFFFAOYSA-N 0 0 438.936 6.276 50 0 IKAARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C ZINC000009203208 556257684 /nfs/dbraw/zinc/25/76/84/556257684.db2.gz WNTLFIZZNWMMIZ-UHFFFAOYSA-N 0 0 441.833 5.120 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccc(C)cc1)[C@@H]3c1ccc(C)cc1 ZINC000009224573 556258294 /nfs/dbraw/zinc/25/82/94/556258294.db2.gz GKKVEFROMQKIER-HHHXNRCGSA-N 0 0 439.559 5.651 50 0 IKAARN COc1cccc(CNC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)c1 ZINC000009224517 556258355 /nfs/dbraw/zinc/25/83/55/556258355.db2.gz RLEQBDZEHUCBKJ-SANMLTNESA-N 0 0 425.532 5.342 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)NCCc2ccccc2)cc1 ZINC000009224531 556258360 /nfs/dbraw/zinc/25/83/60/556258360.db2.gz BRPODVSBUTZZGA-SANMLTNESA-N 0 0 425.532 5.076 50 0 IKAARN COc1cccc(CNC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000009224506 556258370 /nfs/dbraw/zinc/25/83/70/556258370.db2.gz BPAGHBZFMLTTLJ-VWLOTQADSA-N 0 0 429.495 5.173 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NCCC(C)C)cc1 ZINC000009224546 556258375 /nfs/dbraw/zinc/25/83/75/556258375.db2.gz OACABUAXWBHJSL-QHCPKHFHSA-N 0 0 425.960 5.533 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccc(F)cc1)[C@@H]3c1ccc(C)cc1 ZINC000009224576 556258391 /nfs/dbraw/zinc/25/83/91/556258391.db2.gz KQCRQSBULFKCOX-AREMUKBSSA-N 0 0 443.522 5.481 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000009225613 556259540 /nfs/dbraw/zinc/25/95/40/556259540.db2.gz BTMAHEUWUBKJOD-RUZDIDTESA-N 0 0 448.975 5.436 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000009225705 556259765 /nfs/dbraw/zinc/25/97/65/556259765.db2.gz JTQUOGAJTHJQPJ-SANMLTNESA-N 0 0 446.547 5.429 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(OCC)cc4)cc3n2)cc1 ZINC000009226551 556260369 /nfs/dbraw/zinc/26/03/69/556260369.db2.gz RVXPPCBSWQAMNC-UHFFFAOYSA-N 0 0 448.954 6.068 50 0 IKAARN COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccc3ccccc3c2)C1=O ZINC000009233236 556261990 /nfs/dbraw/zinc/26/19/90/556261990.db2.gz PWKITCDVSVXNCD-WSDLNYQXSA-N 0 0 435.501 5.102 50 0 IKAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000009233424 556262424 /nfs/dbraw/zinc/26/24/24/556262424.db2.gz SLLIEPVDHBPLQI-UHFFFAOYSA-N 0 0 444.988 5.186 50 0 IKAARN Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Sc3nc4ccccc4o3)n2)c1 ZINC000009246928 556267306 /nfs/dbraw/zinc/26/73/06/556267306.db2.gz KKYXNNBEVKBBPW-UHFFFAOYSA-N 0 0 440.532 6.268 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2cccc(OC)c2o1 ZINC000009260655 556268363 /nfs/dbraw/zinc/26/83/63/556268363.db2.gz UWVCLUHOQHYFOH-UHFFFAOYSA-N 0 0 442.928 5.104 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2)cc1 ZINC000009288279 556272809 /nfs/dbraw/zinc/27/28/09/556272809.db2.gz SFMZJYQOUBPSJW-QHCPKHFHSA-N 0 0 428.467 5.112 50 0 IKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 ZINC000009288253 556272871 /nfs/dbraw/zinc/27/28/71/556272871.db2.gz KQQSFLIRQBFRIC-QFIPXVFZSA-N 0 0 432.886 5.756 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2Cl)cc1 ZINC000009288562 556273165 /nfs/dbraw/zinc/27/31/65/556273165.db2.gz VZZAKFIKPGWBLP-QHCPKHFHSA-N 0 0 444.922 5.626 50 0 IKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000009289105 556273442 /nfs/dbraw/zinc/27/34/42/556273442.db2.gz MAMQYOGMNPVGRZ-ZDUSSCGKSA-N 0 0 433.291 5.553 50 0 IKAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@@H](/C=C/c3ccccc3)CC2=O)cc1OC ZINC000009290212 556273938 /nfs/dbraw/zinc/27/39/38/556273938.db2.gz PJRXAJNPOJWVBX-JBVUFVISSA-N 0 0 439.515 5.180 50 0 IKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1 ZINC000009291798 556274255 /nfs/dbraw/zinc/27/42/55/556274255.db2.gz GUBQFGPXHWOWGZ-UHFFFAOYSA-N 0 0 442.906 6.149 50 0 IKAARN O=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000009295667 556274851 /nfs/dbraw/zinc/27/48/51/556274851.db2.gz NESQWQMNNFKOHZ-UHFFFAOYSA-N 0 0 438.930 5.910 50 0 IKAARN CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccccc3F)NC2=S)cc1 ZINC000009295891 556275173 /nfs/dbraw/zinc/27/51/73/556275173.db2.gz KMZULEREXISTHA-JCMHNJIXSA-N 0 0 448.519 5.066 50 0 IKAARN CCOc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OCC)cc3C)N(C)C2=S)cc1 ZINC000009296033 556275233 /nfs/dbraw/zinc/27/52/33/556275233.db2.gz BEVDCHCZGXQOID-JCMHNJIXSA-N 0 0 438.593 5.520 50 0 IKAARN Cc1cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3cccs3)c2cc1Cl ZINC000009302786 556275877 /nfs/dbraw/zinc/27/58/77/556275877.db2.gz WQIZSUHWEDRIQN-UHFFFAOYSA-N 0 0 435.888 6.482 50 0 IKAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 ZINC000009305160 556276595 /nfs/dbraw/zinc/27/65/95/556276595.db2.gz WGLCOTFKVPBFGF-KRWDZBQOSA-N 0 0 438.597 5.372 50 0 IKAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009304813 556276597 /nfs/dbraw/zinc/27/65/97/556276597.db2.gz IFSNGKSBDRHXMG-JOCHJYFZSA-N 0 0 433.964 5.629 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000009307075 556276785 /nfs/dbraw/zinc/27/67/85/556276785.db2.gz JRBIZXWGWOTYJS-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000009307316 556277222 /nfs/dbraw/zinc/27/72/22/556277222.db2.gz NKKFFHQRGLNDEY-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccccc2)cc1 ZINC000009307850 556277478 /nfs/dbraw/zinc/27/74/78/556277478.db2.gz SFJRPYUKTVFUKF-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccccc2)cc1 ZINC000009307865 556277520 /nfs/dbraw/zinc/27/75/20/556277520.db2.gz RYEBBOPFKUPAOL-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC000009307845 556277527 /nfs/dbraw/zinc/27/75/27/556277527.db2.gz OXSYVEGRIKGBFQ-UHFFFAOYSA-N 0 0 444.560 5.100 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccc(C)c2)cc1 ZINC000009307652 556277550 /nfs/dbraw/zinc/27/75/50/556277550.db2.gz ITVDIGNBNQQONR-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2)cc1 ZINC000009307663 556277572 /nfs/dbraw/zinc/27/75/72/556277572.db2.gz RHVYCQIGIOXOGY-UHFFFAOYSA-N 0 0 448.523 5.203 50 0 IKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000013688032 556277773 /nfs/dbraw/zinc/27/77/73/556277773.db2.gz WQTGOGSIXMUVQA-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000009309031 556278207 /nfs/dbraw/zinc/27/82/07/556278207.db2.gz FJZLSQPIJZTLDM-UHFFFAOYSA-N 0 0 442.588 5.844 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 ZINC000009309058 556278224 /nfs/dbraw/zinc/27/82/24/556278224.db2.gz RNWHXLHLJTXEKH-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 ZINC000009309104 556278231 /nfs/dbraw/zinc/27/82/31/556278231.db2.gz VHFCUOAQNNKNPA-UHFFFAOYSA-N 0 0 431.561 5.764 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000009309178 556278251 /nfs/dbraw/zinc/27/82/51/556278251.db2.gz NLKIIQLEKQXFTP-UHFFFAOYSA-N 0 0 428.561 5.536 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000009308986 556278252 /nfs/dbraw/zinc/27/82/52/556278252.db2.gz FMKCYNQTUFBGMB-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009309145 556278254 /nfs/dbraw/zinc/27/82/54/556278254.db2.gz GXJADGUMOGNENQ-UHFFFAOYSA-N 0 0 437.613 5.059 50 0 IKAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccccc4Cl)c(C)c13)CCC(C)(C)O2 ZINC000013688710 556278299 /nfs/dbraw/zinc/27/82/99/556278299.db2.gz SGQBVQVRHAFOLM-UHFFFAOYSA-N 0 0 441.911 5.048 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccc(C)c2)cc1 ZINC000009309233 556278528 /nfs/dbraw/zinc/27/85/28/556278528.db2.gz PQDKIMFKNDXSNX-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000013689126 556278621 /nfs/dbraw/zinc/27/86/21/556278621.db2.gz USKGQXQDFJKULZ-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN CC(C)c1ccc(-c2nonc2NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)cc1 ZINC000013689542 556278992 /nfs/dbraw/zinc/27/89/92/556278992.db2.gz JXZCSSCLMLRWHI-UHFFFAOYSA-N 0 0 444.274 5.526 50 0 IKAARN Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013690534 556280019 /nfs/dbraw/zinc/28/00/19/556280019.db2.gz QCTJPMWJLQNBEC-OAQYLSRUSA-N 0 0 425.319 5.294 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000013690597 556280035 /nfs/dbraw/zinc/28/00/35/556280035.db2.gz WTUKOZHYVILEJN-HSZRJFAPSA-N 0 0 440.902 5.676 50 0 IKAARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013690679 556280072 /nfs/dbraw/zinc/28/00/72/556280072.db2.gz NFQJJDSVUHNJQT-UHFFFAOYSA-N 0 0 425.863 5.029 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000013691118 556280626 /nfs/dbraw/zinc/28/06/26/556280626.db2.gz AMNKOEMSLRONMO-UHFFFAOYSA-N 0 0 441.527 6.218 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000013691851 556281450 /nfs/dbraw/zinc/28/14/50/556281450.db2.gz FHXHEUYDDWRIDU-UHFFFAOYSA-N 0 0 432.911 5.374 50 0 IKAARN Cc1oc2cc(OCC(=O)N[C@@H](C)CCc3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000013692132 556281654 /nfs/dbraw/zinc/28/16/54/556281654.db2.gz GANODPIHFPHWAB-IBGZPJMESA-N 0 0 441.527 5.285 50 0 biogenic IKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013692707 556282342 /nfs/dbraw/zinc/28/23/42/556282342.db2.gz NYUCNXBLRAMJCH-UHFFFAOYSA-N 0 0 447.387 5.549 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3C)c3ccccc3S2)cc1 ZINC000009345558 556283776 /nfs/dbraw/zinc/28/37/76/556283776.db2.gz BFPFSSFQNMUYTN-DEOSSOPVSA-N 0 0 446.572 5.521 50 0 IKAARN C[C@]1(c2ccccc2)CC(c2ccccc2)=C[C@@](O)(c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000009348762 556283979 /nfs/dbraw/zinc/28/39/79/556283979.db2.gz WXOFSVGQZXAZRK-XWHIBYANSA-N 0 0 444.574 6.819 50 0 IKAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000013712944 556285312 /nfs/dbraw/zinc/28/53/12/556285312.db2.gz NDKVNSJUHRMKDC-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1OC ZINC000009420527 556289130 /nfs/dbraw/zinc/28/91/30/556289130.db2.gz RAMIVDJSJYBQJB-UHFFFAOYSA-N 0 0 443.253 5.120 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000009424688 556289638 /nfs/dbraw/zinc/28/96/38/556289638.db2.gz PAAZRULKKFCYNS-PXNSSMCTSA-N 0 0 445.769 6.406 50 0 IKAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1Cl ZINC000013721359 556290282 /nfs/dbraw/zinc/29/02/82/556290282.db2.gz SPVAFTRBBGZTSD-UHFFFAOYSA-N 0 0 444.984 5.562 50 0 IKAARN Fc1cccc(NC(=S)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000013721230 556290341 /nfs/dbraw/zinc/29/03/41/556290341.db2.gz IIXNIMRACHUVMO-UHFFFAOYSA-N 0 0 432.524 5.024 50 0 IKAARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1 ZINC000009435214 556291528 /nfs/dbraw/zinc/29/15/28/556291528.db2.gz ARPGTNBBMQDGJQ-UHFFFAOYSA-N 0 0 439.924 5.748 50 0 IKAARN Cc1nc2oc3c(ncn(Cc4ccc(Cl)cc4Cl)c3=O)c2c2c1COC(C)(C)C2 ZINC000013723287 556291519 /nfs/dbraw/zinc/29/15/19/556291519.db2.gz FBWLXYIKOJNDGA-UHFFFAOYSA-N 0 0 444.318 5.053 50 0 IKAARN CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 ZINC000009445959 556292492 /nfs/dbraw/zinc/29/24/92/556292492.db2.gz QPALLAVRUMDDRD-UHFFFAOYSA-N 0 0 435.354 7.332 50 0 IKAARN Cc1cccc(-c2nnc(SCc3cccc(Br)c3)n2Cc2ccco2)c1 ZINC000009478655 556293666 /nfs/dbraw/zinc/29/36/66/556293666.db2.gz FTVCVNAFNQXGNQ-UHFFFAOYSA-N 0 0 440.366 5.950 50 0 IKAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@H](c3ccc(Cl)cc3)CC2=O)cc1OC ZINC000009482460 556293887 /nfs/dbraw/zinc/29/38/87/556293887.db2.gz FQOZWGLULJVWSL-KRWDZBQOSA-N 0 0 447.922 5.288 50 0 IKAARN CC(=O)N(CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccc(F)cc1 ZINC000009497432 556295178 /nfs/dbraw/zinc/29/51/78/556295178.db2.gz YRNVJHJBCBNQMW-VWLOTQADSA-N 0 0 431.979 6.036 50 0 IKAARN Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000009499226 556295490 /nfs/dbraw/zinc/29/54/90/556295490.db2.gz PGBBDLOPNGUQRW-UHFFFAOYSA-N 0 0 435.354 7.386 50 0 IKAARN Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000009525785 556296033 /nfs/dbraw/zinc/29/60/33/556296033.db2.gz ZBDNPNWWSQSWRE-UHFFFAOYSA-N 0 0 430.891 5.659 50 0 IKAARN CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000009525787 556296130 /nfs/dbraw/zinc/29/61/30/556296130.db2.gz VPRQMMMDVLJJOR-UHFFFAOYSA-N 0 0 444.918 5.913 50 0 IKAARN CSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@@H]1C)Nc1ccc(Br)cc1-2 ZINC000009557722 556298025 /nfs/dbraw/zinc/29/80/25/556298025.db2.gz JGMCBJMVRNZPQS-PLQHRBFRSA-N 0 0 433.375 5.146 50 0 IKAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000013748942 556298385 /nfs/dbraw/zinc/29/83/85/556298385.db2.gz REBKHNLELVQJEE-KRWDZBQOSA-N 0 0 426.369 5.803 50 0 IKAARN Cc1cccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCC4)c1 ZINC000013751040 556299004 /nfs/dbraw/zinc/29/90/04/556299004.db2.gz RTCNUMIZXLNRBE-UHFFFAOYSA-N 0 0 439.005 6.190 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 ZINC000009560009 556299135 /nfs/dbraw/zinc/29/91/35/556299135.db2.gz SEEXJLDNZLYYPO-HXUWFJFHSA-N 0 0 431.532 5.402 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000013752071 556299374 /nfs/dbraw/zinc/29/93/74/556299374.db2.gz CGHBFWDEHJRTAV-WIYYLYMNSA-N 0 0 443.286 5.615 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000013751935 556299383 /nfs/dbraw/zinc/29/93/83/556299383.db2.gz RFQBIYMAMILLPK-UGKGYDQZSA-N 0 0 439.309 5.601 50 0 IKAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569610 556299728 /nfs/dbraw/zinc/29/97/28/556299728.db2.gz YBTNUJJHEYPTPH-IBGZPJMESA-N 0 0 441.597 5.180 50 0 IKAARN C[C@H](c1nnc(SCCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000032739566 556300028 /nfs/dbraw/zinc/30/00/28/556300028.db2.gz AWYYOAOLAFTSMJ-OAHLLOKOSA-N 0 0 434.968 5.244 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1Cl ZINC000009581275 556300431 /nfs/dbraw/zinc/30/04/31/556300431.db2.gz DJDULOXBECBEQG-UHFFFAOYSA-N 0 0 444.918 5.968 50 0 IKAARN Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009581411 556300511 /nfs/dbraw/zinc/30/05/11/556300511.db2.gz UUNDREMLDCCBME-QHCPKHFHSA-N 0 0 440.948 5.255 50 0 IKAARN CC(C)Cn1c(SCc2c(F)cccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000009582407 556300743 /nfs/dbraw/zinc/30/07/43/556300743.db2.gz PKGPHUMRSZRFME-OAHLLOKOSA-N 0 0 446.979 5.510 50 0 IKAARN O=C(CCC(=O)OCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)oc1ccccc12 ZINC000009581448 556300789 /nfs/dbraw/zinc/30/07/89/556300789.db2.gz MCTQNMRTABYBEC-UHFFFAOYSA-N 0 0 442.298 6.355 50 0 IKAARN CCOc1ccc2nc(S[C@H](C(=O)Nc3cc(C)on3)c3ccccc3)sc2c1 ZINC000009583636 556301071 /nfs/dbraw/zinc/30/10/71/556301071.db2.gz UCZVYEQQRIHZAG-IBGZPJMESA-N 0 0 425.535 5.464 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@H](c2cccnc2)Nc2ccccc2-3)cc1 ZINC000009590945 556301150 /nfs/dbraw/zinc/30/11/50/556301150.db2.gz JCPLLYWGGLRGHC-HXUWFJFHSA-N 0 0 433.924 5.382 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccnc2)Nc2ccccc2-3)cc1 ZINC000009590947 556301162 /nfs/dbraw/zinc/30/11/62/556301162.db2.gz JCPLLYWGGLRGHC-FQEVSTJZSA-N 0 0 433.924 5.382 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013757587 556301183 /nfs/dbraw/zinc/30/11/83/556301183.db2.gz SALBNUSWSPILRS-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)cc1 ZINC000009594482 556301487 /nfs/dbraw/zinc/30/14/87/556301487.db2.gz KVKSNLPXLDAVAF-UHFFFAOYSA-N 0 0 435.553 5.155 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)cc1OC ZINC000009595092 556301732 /nfs/dbraw/zinc/30/17/32/556301732.db2.gz ZBSOGRPFQANVQK-UHFFFAOYSA-N 0 0 437.521 5.264 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc2ccccc2o1 ZINC000009595116 556301802 /nfs/dbraw/zinc/30/18/02/556301802.db2.gz ACQNPMPYPNDEOY-UHFFFAOYSA-N 0 0 442.544 6.156 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000009597803 556301820 /nfs/dbraw/zinc/30/18/20/556301820.db2.gz ZVYQMXIWFUUNNC-UHFFFAOYSA-N 0 0 431.254 5.285 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000009597875 556302136 /nfs/dbraw/zinc/30/21/36/556302136.db2.gz UVWBHUVVEYVHHU-UHFFFAOYSA-N 0 0 441.318 5.762 50 0 IKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2cccs2)on1 ZINC000009597887 556302148 /nfs/dbraw/zinc/30/21/48/556302148.db2.gz YAYKVURMHKCMNQ-UHFFFAOYSA-N 0 0 447.347 5.824 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccc(Br)cc1-2 ZINC000009601885 556302665 /nfs/dbraw/zinc/30/26/65/556302665.db2.gz XKXNAOPVRDQGGR-QGZVFWFLSA-N 0 0 447.358 5.680 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(Br)o1)Nc1ccccc1-2 ZINC000009601785 556302722 /nfs/dbraw/zinc/30/27/22/556302722.db2.gz IYMFTQFMAVCNGF-INIZCTEOSA-N 0 0 433.331 5.289 50 0 IKAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032744902 556302792 /nfs/dbraw/zinc/30/27/92/556302792.db2.gz STYIZBQRAHZZDN-UHFFFAOYSA-N 0 0 443.528 5.499 50 0 IKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1Cl ZINC000009606299 556302997 /nfs/dbraw/zinc/30/29/97/556302997.db2.gz SCGQHFSAVWDPHP-FQEVSTJZSA-N 0 0 426.303 6.254 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1Cl ZINC000009606393 556303012 /nfs/dbraw/zinc/30/30/12/556303012.db2.gz TWYSAIJKDNIETR-HXUWFJFHSA-N 0 0 446.284 6.832 50 0 IKAARN COc1ccc(Cl)cc1N[C@@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(Cl)cc1 ZINC000009606535 556303105 /nfs/dbraw/zinc/30/31/05/556303105.db2.gz HFZUOOCIBBZKIE-HXUWFJFHSA-N 0 0 444.293 6.393 50 0 IKAARN CCN(C(=O)Nc1ccc(C)c(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009607049 556303263 /nfs/dbraw/zinc/30/32/63/556303263.db2.gz IYPMQZHHPKXUIM-UHFFFAOYSA-N 0 0 430.371 6.248 50 0 IKAARN CCCN(C(=O)Nc1ccc(C)c(C)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009606978 556303279 /nfs/dbraw/zinc/30/32/79/556303279.db2.gz GPNJYBVVBBRQPL-UHFFFAOYSA-N 0 0 447.648 7.923 50 0 IKAARN C[C@H](Sc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1nnc(-c2cccs2)o1 ZINC000032741640 556303409 /nfs/dbraw/zinc/30/34/09/556303409.db2.gz LJIHNCQMHZTZJI-ZJUUUORDSA-N 0 0 429.596 5.363 50 0 IKAARN CCc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009607538 556303616 /nfs/dbraw/zinc/30/36/16/556303616.db2.gz FBEDXKIMYHOGNK-OAQYLSRUSA-N 0 0 432.911 5.864 50 0 IKAARN Cc1cc(NC(=O)c2cccc(Br)c2)ccc1-c1cc2ccccc2oc1=O ZINC000009635668 556304204 /nfs/dbraw/zinc/30/42/04/556304204.db2.gz LOTNYNXYYOMSJN-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000013768591 556304244 /nfs/dbraw/zinc/30/42/44/556304244.db2.gz RWYZGOSJNMNCMW-AJTFRIOCSA-N 0 0 444.531 5.653 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)c(C)c4)=NN32)cc(OC)c1OC ZINC000013769807 556304599 /nfs/dbraw/zinc/30/45/99/556304599.db2.gz USRLRTYQDYXFBT-AMGIVPHBSA-N 0 0 444.531 5.572 50 0 IKAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000009661533 556304634 /nfs/dbraw/zinc/30/46/34/556304634.db2.gz DEHJRTXDQFSKPO-UHFFFAOYSA-N 0 0 441.318 5.108 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)cc1OC ZINC000009668765 556305213 /nfs/dbraw/zinc/30/52/13/556305213.db2.gz VCRFQJGUDHLUPY-UHFFFAOYSA-N 0 0 447.844 6.061 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000009668100 556305224 /nfs/dbraw/zinc/30/52/24/556305224.db2.gz KWWKITRMNMLSKC-UHFFFAOYSA-N 0 0 428.275 5.135 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000009679002 556305784 /nfs/dbraw/zinc/30/57/84/556305784.db2.gz AGIMSEQGXIFHEG-UHFFFAOYSA-N 0 0 447.560 5.245 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCc1ccc(F)cc1 ZINC000032736145 556305989 /nfs/dbraw/zinc/30/59/89/556305989.db2.gz CNEMQOZACQAQPC-UHFFFAOYSA-N 0 0 446.931 5.160 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000032736198 556306077 /nfs/dbraw/zinc/30/60/77/556306077.db2.gz LIZKRDTZNZTNSN-UHFFFAOYSA-N 0 0 445.485 5.070 50 0 IKAARN Clc1ccccc1-c1nnc([C@H](Nc2ccccc2Br)c2ccccc2)o1 ZINC000009683259 556306174 /nfs/dbraw/zinc/30/61/74/556306174.db2.gz KKKMKRCJUNKBJA-LJQANCHMSA-N 0 0 440.728 6.354 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n[nH]2)cc1 ZINC000032736441 556306281 /nfs/dbraw/zinc/30/62/81/556306281.db2.gz FELCWGZKANIXPP-UHFFFAOYSA-N 0 0 428.517 5.007 50 0 IKAARN CC[C@@H](CNC(=O)[C@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 ZINC000032736584 556306618 /nfs/dbraw/zinc/30/66/18/556306618.db2.gz GPQZWIPBQXEOOR-HOTGVXAUSA-N 0 0 442.610 5.081 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 ZINC000013775291 556307175 /nfs/dbraw/zinc/30/71/75/556307175.db2.gz BILMXKZALIDYJO-UHFFFAOYSA-N 0 0 442.650 5.834 50 0 IKAARN CSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)C2(CCCCC2)Cc2ccccc2-1 ZINC000013774970 556307267 /nfs/dbraw/zinc/30/72/67/556307267.db2.gz RFMIPXLJBOXNHF-UHFFFAOYSA-N 0 0 442.588 5.086 50 0 IKAARN Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013776772 556307433 /nfs/dbraw/zinc/30/74/33/556307433.db2.gz DOKAEKGYMXCJKA-AUSIDOKSSA-N 0 0 449.304 5.420 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000013776418 556307542 /nfs/dbraw/zinc/30/75/42/556307542.db2.gz QOFWQDFDZQDCHR-HSZRJFAPSA-N 0 0 445.902 5.243 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013776836 556307584 /nfs/dbraw/zinc/30/75/84/556307584.db2.gz LKOULUVEGIFPMG-YKSBVNFPSA-N 0 0 434.879 5.320 50 0 IKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1)O2 ZINC000013778044 556307740 /nfs/dbraw/zinc/30/77/40/556307740.db2.gz JYWZLYAXJZWTRI-AUSIDOKSSA-N 0 0 449.304 5.420 50 0 IKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1)O2 ZINC000013778041 556307793 /nfs/dbraw/zinc/30/77/93/556307793.db2.gz JYWZLYAXJZWTRI-XXBNENTESA-N 0 0 449.304 5.420 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN32)cc1 ZINC000013777687 556307897 /nfs/dbraw/zinc/30/78/97/556307897.db2.gz JAOYOUSNBVRZMF-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN O=C(Nc1ccc(Br)cc1Br)C(c1ccccc1)c1ccccc1 ZINC000009761173 556308227 /nfs/dbraw/zinc/30/82/27/556308227.db2.gz DTUJDINNAYVMHB-UHFFFAOYSA-N 0 0 445.154 5.982 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4sc5ccccc5c4Cl)c3)nc2c1 ZINC000009762439 556308299 /nfs/dbraw/zinc/30/82/99/556308299.db2.gz PECSTMAPJKEEGG-UHFFFAOYSA-N 0 0 446.959 7.486 50 0 IKAARN COc1cc(CNc2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000009804857 556308924 /nfs/dbraw/zinc/30/89/24/556308924.db2.gz BVAVXBVBYNIMOR-UHFFFAOYSA-N 0 0 440.946 6.279 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C ZINC000009804738 556308940 /nfs/dbraw/zinc/30/89/40/556308940.db2.gz GQLSDQXXECQOMS-NRFANRHFSA-N 0 0 427.932 5.062 50 0 biogenic IKAARN CC1=CC[C@H]([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)[C@@H](C)C1 ZINC000009805226 556308962 /nfs/dbraw/zinc/30/89/62/556308962.db2.gz MNRDRZYDKZQMKN-WCAVRKLYSA-N 0 0 430.577 5.954 50 0 IKAARN Cc1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1 ZINC000013786435 556309079 /nfs/dbraw/zinc/30/90/79/556309079.db2.gz IEROKQNEZOXHTN-XMMPIXPASA-N 0 0 440.506 6.539 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000013786169 556309090 /nfs/dbraw/zinc/30/90/90/556309090.db2.gz IXPJGZQLQJOSEA-NRFANRHFSA-N 0 0 445.544 5.210 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000013786157 556309142 /nfs/dbraw/zinc/30/91/42/556309142.db2.gz SWPZOBJVMLVQAG-WIYYLYMNSA-N 0 0 441.350 5.762 50 0 IKAARN Cc1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)cc1 ZINC000013786433 556309149 /nfs/dbraw/zinc/30/91/49/556309149.db2.gz IEROKQNEZOXHTN-DEOSSOPVSA-N 0 0 440.506 6.539 50 0 IKAARN Cc1ccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc32)cc1C ZINC000013786191 556309177 /nfs/dbraw/zinc/30/91/77/556309177.db2.gz FOZSSTTVTSGNDZ-UHFFFAOYSA-N 0 0 434.565 5.122 50 0 IKAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1 ZINC000013787140 556309522 /nfs/dbraw/zinc/30/95/22/556309522.db2.gz OPJXHXUZVYBJKL-QFIPXVFZSA-N 0 0 436.471 5.100 50 0 IKAARN CC[C@H](CO)Nc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000013787464 556309532 /nfs/dbraw/zinc/30/95/32/556309532.db2.gz KHWVHJHKHRHZQY-CQSZACIVSA-N 0 0 436.606 5.300 50 0 IKAARN Cc1ccc2c(c1)[C@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C ZINC000013800925 556310244 /nfs/dbraw/zinc/31/02/44/556310244.db2.gz YSRJNBIZEHMUJG-RDGATRHJSA-N 0 0 429.907 5.021 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)N[C@@H](CC)Cc2ccccc2)c1C ZINC000009830270 556310363 /nfs/dbraw/zinc/31/03/63/556310363.db2.gz IDUOVXCXTTZMHP-QHCPKHFHSA-N 0 0 432.564 5.086 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1C ZINC000009830249 556310374 /nfs/dbraw/zinc/31/03/74/556310374.db2.gz XGYZOTYUCZUENV-HSZRJFAPSA-N 0 0 430.548 5.142 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1Br ZINC000013801037 556310561 /nfs/dbraw/zinc/31/05/61/556310561.db2.gz QWAVRWDTCAHYDT-JHGXHUTESA-N 0 0 445.382 5.399 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2Cc2ccco2)c1 ZINC000013804299 556310912 /nfs/dbraw/zinc/31/09/12/556310912.db2.gz XZDIVDNOFKXEJL-UHFFFAOYSA-N 0 0 436.512 5.073 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013806143 556311122 /nfs/dbraw/zinc/31/11/22/556311122.db2.gz QZVLTMRQRNVSHN-NBGIEHNGSA-N 0 0 448.906 5.710 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013810126 556311793 /nfs/dbraw/zinc/31/17/93/556311793.db2.gz JKTNYDSHFOEPRS-VPUSJEBWSA-N 0 0 428.532 6.116 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013810410 556311895 /nfs/dbraw/zinc/31/18/95/556311895.db2.gz JIYGUEBKZPURAW-ISKFKSNPSA-N 0 0 449.348 6.090 50 0 IKAARN CCN(CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21)c1cccc(C)c1 ZINC000009831065 556312318 /nfs/dbraw/zinc/31/23/18/556312318.db2.gz RQQDCVTXBGAWDF-UHFFFAOYSA-N 0 0 436.563 5.581 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(Cl)c1 ZINC000009849869 556313862 /nfs/dbraw/zinc/31/38/62/556313862.db2.gz OWGFPMXWQRKAEW-UHFFFAOYSA-N 0 0 433.722 6.460 50 0 IKAARN CCCCCC(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000009851008 556314287 /nfs/dbraw/zinc/31/42/87/556314287.db2.gz MLNUYIYFCXHNJG-UHFFFAOYSA-N 0 0 434.277 5.618 50 0 IKAARN CCCCc1ccc(-c2nc3ccccc3c(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000009861296 556314583 /nfs/dbraw/zinc/31/45/83/556314583.db2.gz BRXFVRRZJGJQBD-UHFFFAOYSA-N 0 0 445.566 8.175 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032745130 556314836 /nfs/dbraw/zinc/31/48/36/556314836.db2.gz WOUAZYDARBPUBA-UHFFFAOYSA-N 0 0 448.563 5.139 50 0 IKAARN CC(=O)Nc1ccc(OC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000032747485 556315998 /nfs/dbraw/zinc/31/59/98/556315998.db2.gz FFUVETGRCOLSJX-RUZDIDTESA-N 0 0 430.529 5.361 50 0 IKAARN Cc1ccc(OCCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000013828274 556316255 /nfs/dbraw/zinc/31/62/55/556316255.db2.gz UGRCQTZNGAUXOM-UHFFFAOYSA-N 0 0 433.596 5.443 50 0 IKAARN S=C(Nc1cccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013828542 556316274 /nfs/dbraw/zinc/31/62/74/556316274.db2.gz WIKGLMFMGKTLQC-UHFFFAOYSA-N 0 0 437.612 5.944 50 0 IKAARN O=C1COc2ccc(-c3cc(-c4ccc(Cl)cc4)c4c(n3)-c3ccccc3OC4)cc2N1 ZINC000013828426 556316328 /nfs/dbraw/zinc/31/63/28/556316328.db2.gz RXEKKFCFABAOKA-UHFFFAOYSA-N 0 0 440.886 5.959 50 0 IKAARN CCc1ccc(OCCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000013828252 556316336 /nfs/dbraw/zinc/31/63/36/556316336.db2.gz DNFKAWPZFQXMAM-UHFFFAOYSA-N 0 0 447.623 5.697 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](NC(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009909583 556316649 /nfs/dbraw/zinc/31/66/49/556316649.db2.gz YJEQDFGLTOGVHW-IWJYVYHMSA-N 0 0 438.612 5.305 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(-c3cccc(Br)c3)cc(C(F)(F)F)c12 ZINC000009933402 556316948 /nfs/dbraw/zinc/31/69/48/556316948.db2.gz BETZJKSUSDBQIY-UHFFFAOYSA-N 0 0 446.270 6.486 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000009934692 556318324 /nfs/dbraw/zinc/31/83/24/556318324.db2.gz VQJUNXYLMVNAIF-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1/C=C/c1cc(Br)ccc1O ZINC000009968899 556318915 /nfs/dbraw/zinc/31/89/15/556318915.db2.gz IXGYSCRSDMBBKR-JLHYYAGUSA-N 0 0 433.305 5.333 50 0 IKAARN Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)c1C ZINC000009968795 556318963 /nfs/dbraw/zinc/31/89/63/556318963.db2.gz WEMJJOCFBFTBSY-UHFFFAOYSA-N 0 0 446.344 6.809 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1 ZINC000009970957 556319140 /nfs/dbraw/zinc/31/91/40/556319140.db2.gz KYDFGZMMCUNSNX-UHFFFAOYSA-N 0 0 428.457 5.324 50 0 IKAARN CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)nc2c1 ZINC000009972148 556319573 /nfs/dbraw/zinc/31/95/73/556319573.db2.gz LMTIWGQIDOIBIF-UHFFFAOYSA-N 0 0 448.906 6.295 50 0 IKAARN CCc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=S)cc1 ZINC000009972892 556319814 /nfs/dbraw/zinc/31/98/14/556319814.db2.gz ARBHSBYZRDRHTI-ZCYQVOJMSA-N 0 0 437.568 5.378 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032760115 556320183 /nfs/dbraw/zinc/32/01/83/556320183.db2.gz KSZCEBNGTFHVFN-INIZCTEOSA-N 0 0 440.952 5.685 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)C1=O ZINC000013858069 556321658 /nfs/dbraw/zinc/32/16/58/556321658.db2.gz DADZMEGPNJPHAR-LJAQVGFWSA-N 0 0 441.571 5.545 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(Cl)cc1 ZINC000010013446 556322390 /nfs/dbraw/zinc/32/23/90/556322390.db2.gz DQRBGILQVIZDQS-AREMUKBSSA-N 0 0 444.015 6.004 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(Cl)cc1 ZINC000010013445 556322512 /nfs/dbraw/zinc/32/25/12/556322512.db2.gz DQRBGILQVIZDQS-SANMLTNESA-N 0 0 444.015 6.004 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1nc2ccccc2n1C(F)F ZINC000032753525 556322867 /nfs/dbraw/zinc/32/28/67/556322867.db2.gz KTICSBPBYRXOTO-UHFFFAOYSA-N 0 0 448.832 5.460 50 0 IKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccccc4n3C(F)F)c12 ZINC000032753520 556322871 /nfs/dbraw/zinc/32/28/71/556322871.db2.gz QQLHLENCOJRZPL-UHFFFAOYSA-N 0 0 447.445 5.215 50 0 IKAARN CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3Cl)nc2c1 ZINC000010041066 556323422 /nfs/dbraw/zinc/32/34/22/556323422.db2.gz JAWKUYOBHGARBT-UHFFFAOYSA-N 0 0 434.879 6.253 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc5ccccc54)C3=O)co2)c(C)c1 ZINC000032754341 556323471 /nfs/dbraw/zinc/32/34/71/556323471.db2.gz JREMJHHYXBWUAZ-AREMUKBSSA-N 0 0 425.488 5.079 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)COc2ccccc2Cl)c1 ZINC000010060068 556324395 /nfs/dbraw/zinc/32/43/95/556324395.db2.gz RXHXBNCQAOHZON-UHFFFAOYSA-N 0 0 445.302 5.028 50 0 IKAARN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccc3ccccc3c1)C[C@@H]2c1ccccc1 ZINC000010075178 556325078 /nfs/dbraw/zinc/32/50/78/556325078.db2.gz YJRLGWRRPQLLGY-HHHXNRCGSA-N 0 0 447.969 7.779 50 0 IKAARN CCCCc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013880275 556325625 /nfs/dbraw/zinc/32/56/25/556325625.db2.gz MYDXJCUBZMWULW-UHFFFAOYSA-N 0 0 443.660 6.133 50 0 IKAARN COc1cc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc(OC)c1OC ZINC000010120166 556326535 /nfs/dbraw/zinc/32/65/35/556326535.db2.gz HRTIEMMXDSPTLH-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc(OC)c1OC ZINC000010128020 556326578 /nfs/dbraw/zinc/32/65/78/556326578.db2.gz PDIQIIXYELJGMV-UHFFFAOYSA-N 0 0 434.517 5.550 50 0 IKAARN c1ccc(-n2c(CSc3nc4ccccc4s3)nnc2SCc2cccnc2)cc1 ZINC000032761074 556326643 /nfs/dbraw/zinc/32/66/43/556326643.db2.gz MGHSIXPSNULPMC-UHFFFAOYSA-N 0 0 447.614 5.857 50 0 IKAARN O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000010156764 556326964 /nfs/dbraw/zinc/32/69/64/556326964.db2.gz LDDAKWSJUQLWHT-UHFFFAOYSA-N 0 0 431.706 5.161 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000013894766 556328521 /nfs/dbraw/zinc/32/85/21/556328521.db2.gz KHKHGFLOAYERGR-JWGURIENSA-N 0 0 443.499 5.114 50 0 IKAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000013896411 556329563 /nfs/dbraw/zinc/32/95/63/556329563.db2.gz FDLZBJHEZKEONG-UHFFFAOYSA-N 0 0 436.020 6.727 50 0 IKAARN Cc1cc(-c2nn3c(COc4ccc(Cl)cc4Cl)nnc3s2)c2ccccc2n1 ZINC000010312268 556330545 /nfs/dbraw/zinc/33/05/45/556330545.db2.gz ZORSJEURYLXHTK-UHFFFAOYSA-N 0 0 442.331 5.595 50 0 IKAARN CCCCCC1CCC(c2ccc(-c3noc(-c4ccc(OCCCC)cc4)n3)cc2)CC1 ZINC000013899155 556330845 /nfs/dbraw/zinc/33/08/45/556330845.db2.gz UCXQBEHSJWXUQT-UHFFFAOYSA-N 0 0 446.635 8.437 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000013927645 556333903 /nfs/dbraw/zinc/33/39/03/556333903.db2.gz XEVCVGVOIHSRMR-MOSHPQCFSA-N 0 0 447.874 5.221 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)C4(c5ccccc5)CCCC4)c3)nn12 ZINC000010372809 556333912 /nfs/dbraw/zinc/33/39/12/556333912.db2.gz HRVZPUZQXIGTSM-UHFFFAOYSA-N 0 0 431.565 5.174 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000013936074 556335842 /nfs/dbraw/zinc/33/58/42/556335842.db2.gz RRNJTBKEFICRFS-UHFFFAOYSA-N 0 0 431.970 5.258 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013936232 556335895 /nfs/dbraw/zinc/33/58/95/556335895.db2.gz TXUYOOJBAXYZCG-UHFFFAOYSA-N 0 0 449.960 5.397 50 0 IKAARN Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000013936240 556336103 /nfs/dbraw/zinc/33/61/03/556336103.db2.gz QVPQWVQVYYNXCB-UHFFFAOYSA-N 0 0 425.579 5.222 50 0 IKAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3C)cc2)c(C)c1 ZINC000013936289 556336315 /nfs/dbraw/zinc/33/63/15/556336315.db2.gz FWZGGEJQZJIAPU-UHFFFAOYSA-N 0 0 439.606 5.530 50 0 IKAARN CCn1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c2ccccc21 ZINC000010558953 556336956 /nfs/dbraw/zinc/33/69/56/556336956.db2.gz NSVUTFDJSHIZJI-UHFFFAOYSA-N 0 0 439.544 5.279 50 0 IKAARN O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)c2cc(Br)c3ccccc3c2N1 ZINC000013940119 556337627 /nfs/dbraw/zinc/33/76/27/556337627.db2.gz SAKXHONWTLSIGD-NRFANRHFSA-N 0 0 444.328 6.869 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc(-c5ccccc5Cl)o4)[nH]c(=O)c23)C1 ZINC000013941841 556338965 /nfs/dbraw/zinc/33/89/65/556338965.db2.gz OWDIWCMLJNWJJP-ZDUSSCGKSA-N 0 0 438.980 6.716 50 0 IKAARN CCCCOCCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000013942343 556339411 /nfs/dbraw/zinc/33/94/11/556339411.db2.gz PNJUMUKZMQSYGA-NDEPHWFRSA-N 0 0 438.571 6.587 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 ZINC000013942491 556339760 /nfs/dbraw/zinc/33/97/60/556339760.db2.gz OIIDYAJILYHOFN-CCLHPLFOSA-N 0 0 438.527 5.568 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 ZINC000013942493 556339811 /nfs/dbraw/zinc/33/98/11/556339811.db2.gz OIIDYAJILYHOFN-DCFHFQCYSA-N 0 0 438.527 5.568 50 0 IKAARN COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)c1 ZINC000013942498 556339827 /nfs/dbraw/zinc/33/98/27/556339827.db2.gz NCMPNOIVXFBJOT-MUUNZHRXSA-N 0 0 438.571 6.445 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000013942950 556340394 /nfs/dbraw/zinc/34/03/94/556340394.db2.gz ABBJFGTYJMYCSF-INIZCTEOSA-N 0 0 429.582 5.266 50 0 IKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000013943523 556340731 /nfs/dbraw/zinc/34/07/31/556340731.db2.gz VSEYKNIEAONOAF-UHFFFAOYSA-N 0 0 449.304 6.008 50 0 IKAARN COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@@H]2c2cn(C)c3ccccc23)cc1OC ZINC000013945660 556342624 /nfs/dbraw/zinc/34/26/24/556342624.db2.gz XPURUEBBZVCKKD-AREMUKBSSA-N 0 0 430.548 5.192 50 0 IKAARN CCCC[C@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000013945765 556342631 /nfs/dbraw/zinc/34/26/31/556342631.db2.gz JQBGBJTVBVIAKU-SIBVEZHUSA-N 0 0 431.580 5.436 50 0 IKAARN O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)NCCC1=CCCCC1 ZINC000013945798 556343010 /nfs/dbraw/zinc/34/30/10/556343010.db2.gz KWZJNPLRFZQTOY-AREMUKBSSA-N 0 0 427.548 5.110 50 0 IKAARN O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)Nc1ccc(Cl)cc1 ZINC000013945802 556343058 /nfs/dbraw/zinc/34/30/58/556343058.db2.gz OURBYRVWXHQSSE-XMMPIXPASA-N 0 0 429.907 5.395 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000013946055 556343081 /nfs/dbraw/zinc/34/30/81/556343081.db2.gz BJRUDYYRANIHBE-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000013946090 556343400 /nfs/dbraw/zinc/34/34/00/556343400.db2.gz IFBSQIJHQIWVHF-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nc2c1 ZINC000013946099 556343446 /nfs/dbraw/zinc/34/34/46/556343446.db2.gz PUJZGDOMAXKIGR-UHFFFAOYSA-N 0 0 434.923 6.507 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3Cl)oc2c1 ZINC000013946086 556343453 /nfs/dbraw/zinc/34/34/53/556343453.db2.gz VPVPAFGDNHGGTD-UHFFFAOYSA-N 0 0 434.923 6.598 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC(F)(F)F)c(C)c1C ZINC000011662031 556343553 /nfs/dbraw/zinc/34/35/53/556343553.db2.gz ZKZGDTURRKYVPC-HSZRJFAPSA-N 0 0 430.470 5.610 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000013946122 556343714 /nfs/dbraw/zinc/34/37/14/556343714.db2.gz QUSWTOAECVPGIT-UHFFFAOYSA-N 0 0 425.319 5.850 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1)c1cc2ccccc2o1 ZINC000013946305 556343734 /nfs/dbraw/zinc/34/37/34/556343734.db2.gz FWUSOAHMEVEACN-UHFFFAOYSA-N 0 0 446.915 6.806 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000013946323 556343743 /nfs/dbraw/zinc/34/37/43/556343743.db2.gz BGYHDQPENPCSJO-UHFFFAOYSA-N 0 0 449.580 5.039 50 0 IKAARN CCOC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Cl ZINC000013955252 556344813 /nfs/dbraw/zinc/34/48/13/556344813.db2.gz RYOBTVNMMDLBPO-UHFFFAOYSA-N 0 0 428.735 5.010 50 0 IKAARN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000013955136 556344923 /nfs/dbraw/zinc/34/49/23/556344923.db2.gz NPHFHNQVSPVRGE-CQSZACIVSA-N 0 0 436.309 5.398 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000013957503 556345265 /nfs/dbraw/zinc/34/52/65/556345265.db2.gz DAVLWGPPKTZUKZ-UHFFFAOYSA-N 0 0 431.495 5.642 50 0 IKAARN c1csc(C2=NN(c3ccccc3)[C@H](c3cn(-c4ccccc4)nc3-c3cccnc3)C2)c1 ZINC000011667027 556346065 /nfs/dbraw/zinc/34/60/65/556346065.db2.gz BZOAPMZRLJPTCU-VWLOTQADSA-N 0 0 447.567 6.352 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@H](OCc4cccnc4)C3)c(C)o2)c2ccccc12 ZINC000011667782 556346407 /nfs/dbraw/zinc/34/64/07/556346407.db2.gz KFVFMMBKSCDKAB-NRFANRHFSA-N 0 0 443.547 5.388 50 0 IKAARN CCCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000013959789 556346683 /nfs/dbraw/zinc/34/66/83/556346683.db2.gz PDFIODDBYKSOSY-DENWDJDJSA-N 0 0 447.597 5.345 50 0 IKAARN O=C(NCc1cccnc1)c1sc2c(c1Cl)c(OC(F)F)ccc2Br ZINC000013959928 556346749 /nfs/dbraw/zinc/34/67/49/556346749.db2.gz WDXZEHDNTSDSPA-UHFFFAOYSA-N 0 0 447.688 5.244 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccc(F)cc1)oc(=O)cc2-c1ccccc1 ZINC000011692378 556346824 /nfs/dbraw/zinc/34/68/24/556346824.db2.gz WTNABVLTSIGNRD-UHFFFAOYSA-N 0 0 430.519 7.301 50 0 IKAARN O=C(c1ccccc1)[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000011692361 556346867 /nfs/dbraw/zinc/34/68/67/556346867.db2.gz HYHLFHFPRMJRCH-GDLZYMKVSA-N 0 0 432.475 6.463 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)cc2o1 ZINC000011692369 556346991 /nfs/dbraw/zinc/34/69/91/556346991.db2.gz WJKVROJWOORRJO-UHFFFAOYSA-N 0 0 431.702 6.999 50 0 IKAARN CCn1ncc(Cl)c1CN(C)C(=O)c1ccc(OC)c(COc2cc(C)ccc2C)c1 ZINC000013960309 556347568 /nfs/dbraw/zinc/34/75/68/556347568.db2.gz ZWYCDKFEVZVRAW-UHFFFAOYSA-N 0 0 441.959 5.033 50 0 IKAARN COc1cccc(Cn2nc(-c3cccc(OC)c3)c(Cl)c2-c2cccc(OC)c2)c1 ZINC000013960471 556347734 /nfs/dbraw/zinc/34/77/34/556347734.db2.gz BTQPDLHOQIUUJU-UHFFFAOYSA-N 0 0 434.923 5.945 50 0 IKAARN COc1cccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3cccc(OC)c3)c2C)c1 ZINC000013960506 556347983 /nfs/dbraw/zinc/34/79/83/556347983.db2.gz CPRPZHJDIOHGEG-UHFFFAOYSA-N 0 0 436.914 6.384 50 0 IKAARN O=C(c1[nH]c(=O)nc2ccccc21)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000011713006 556347978 /nfs/dbraw/zinc/34/79/78/556347978.db2.gz OCVGWHKWZJJCSL-XMMPIXPASA-N 0 0 426.520 5.137 50 0 IKAARN Cc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000013960593 556348022 /nfs/dbraw/zinc/34/80/22/556348022.db2.gz FOQXMYIELDAODX-UHFFFAOYSA-N 0 0 435.340 6.784 50 0 IKAARN FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(Cc3ccccc3)n2)cc1 ZINC000013960749 556348319 /nfs/dbraw/zinc/34/83/19/556348319.db2.gz RIJKAZSOCYEFSS-UHFFFAOYSA-N 0 0 442.412 6.468 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCc2cccs2)cc1C ZINC000011716323 556348397 /nfs/dbraw/zinc/34/83/97/556348397.db2.gz XQQJQMNNKGKVIH-MHZLTWQESA-N 0 0 444.600 6.043 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCc2cccs2)cc1C ZINC000011716318 556348507 /nfs/dbraw/zinc/34/85/07/556348507.db2.gz XQQJQMNNKGKVIH-HHHXNRCGSA-N 0 0 444.600 6.043 50 0 IKAARN CC(C)CN1C(=S)N=NC1c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000013960957 556348644 /nfs/dbraw/zinc/34/86/44/556348644.db2.gz CFBGUSBNZGCHBP-UHFFFAOYSA-N 0 0 430.581 5.379 50 0 IKAARN FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000013961007 556348654 /nfs/dbraw/zinc/34/86/54/556348654.db2.gz KMNCGONZLGCHEN-UHFFFAOYSA-N 0 0 429.445 7.137 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c12 ZINC000013960979 556348720 /nfs/dbraw/zinc/34/87/20/556348720.db2.gz ULZIVDFJPZIYHY-UHFFFAOYSA-N 0 0 442.853 5.544 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4c[nH]c5ccccc45)c3n2)cc1 ZINC000013961417 556348887 /nfs/dbraw/zinc/34/88/87/556348887.db2.gz KLZXAJIUTVPJSF-UHFFFAOYSA-N 0 0 445.473 5.096 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(C(F)(F)F)c3)c12 ZINC000013961304 556348898 /nfs/dbraw/zinc/34/88/98/556348898.db2.gz IBFFSFRUEPILHE-UHFFFAOYSA-N 0 0 436.437 5.877 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12 ZINC000013961357 556348921 /nfs/dbraw/zinc/34/89/21/556348921.db2.gz FXXILXPVZVDBOS-UHFFFAOYSA-N 0 0 448.530 5.103 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000013961335 556348949 /nfs/dbraw/zinc/34/89/49/556348949.db2.gz BBFNJWACBGAUDQ-UHFFFAOYSA-N 0 0 439.563 5.705 50 0 IKAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000011763752 556349331 /nfs/dbraw/zinc/34/93/31/556349331.db2.gz XKFQMNVSRSDITJ-DEOSSOPVSA-N 0 0 426.495 5.032 50 0 IKAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCN2CCSC2=O)c1 ZINC000032784598 556350032 /nfs/dbraw/zinc/35/00/32/556350032.db2.gz YLDWSWWJPPWDPU-UHFFFAOYSA-N 0 0 440.443 5.004 50 0 IKAARN Cc1c(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000013966651 556350279 /nfs/dbraw/zinc/35/02/79/556350279.db2.gz ZEUPIFWYUCFFSC-UHFFFAOYSA-N 0 0 448.526 5.260 50 0 IKAARN CC1(C)C[C@@H](NC(=O)c2cccc(Cl)c2)C[C@@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC000013969888 556350785 /nfs/dbraw/zinc/35/07/85/556350785.db2.gz NZKUSTGCPFZVKU-HYBUGGRVSA-N 0 0 447.406 5.738 50 0 IKAARN Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)c1 ZINC000011783865 556352187 /nfs/dbraw/zinc/35/21/87/556352187.db2.gz GBUAHRJNLBNLLH-BUWJWBKWSA-N 0 0 429.608 5.683 50 0 IKAARN COc1ccc([C@@H](NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2ccccc2)cc1 ZINC000013987175 556352198 /nfs/dbraw/zinc/35/21/98/556352198.db2.gz JTODAUCUKQYSJN-SANMLTNESA-N 0 0 442.515 5.398 50 0 IKAARN O=C(c1ccc2cc[nH]c2c1)N1CCC(c2n[nH]cc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000011785000 556352889 /nfs/dbraw/zinc/35/28/89/556352889.db2.gz OLIQMNHEVBLMIF-UHFFFAOYSA-N 0 0 438.453 5.597 50 0 IKAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@H](c4n[nH]cc4-c4cccc(F)c4)C3)o2)cc1 ZINC000011785226 556353129 /nfs/dbraw/zinc/35/31/29/556353129.db2.gz FLORYUMCQCLLEK-IBGZPJMESA-N 0 0 445.494 5.504 50 0 IKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000013994322 556353307 /nfs/dbraw/zinc/35/33/07/556353307.db2.gz KTGUMCPMMSTZSN-BGYRXZFFSA-N 0 0 432.520 5.115 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1 ZINC000014008838 556353741 /nfs/dbraw/zinc/35/37/41/556353741.db2.gz UHKSYCMNJWPBJL-KRWDZBQOSA-N 0 0 428.488 5.440 50 0 IKAARN O=C1NC(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000014009947 556354377 /nfs/dbraw/zinc/35/43/77/556354377.db2.gz KQZLXFBCRVLJLY-GZTJUZNOSA-N 0 0 431.300 5.835 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)c2)cs1 ZINC000014018003 556356040 /nfs/dbraw/zinc/35/60/40/556356040.db2.gz JXTLYBJPJRPRFS-UHFFFAOYSA-N 0 0 427.888 6.127 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000032795275 556357420 /nfs/dbraw/zinc/35/74/20/556357420.db2.gz YPJARGZGFNKMNV-AWEZNQCLSA-N 0 0 434.521 5.075 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C)oc1ccccc12 ZINC000014066761 556359187 /nfs/dbraw/zinc/35/91/87/556359187.db2.gz KDTPATQGZJJDBW-QHCPKHFHSA-N 0 0 431.492 5.379 50 0 IKAARN Cc1ccccc1OCc1nc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n[nH]1 ZINC000014067982 556359988 /nfs/dbraw/zinc/35/99/88/556359988.db2.gz IAXIZQITPQRHJX-QFIPXVFZSA-N 0 0 448.523 5.303 50 0 IKAARN O=C(CCc1nc2ccccc2[nH]1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000011819031 556360923 /nfs/dbraw/zinc/36/09/23/556360923.db2.gz IZKQYPYBUALIAP-MHZLTWQESA-N 0 0 438.506 5.290 50 0 IKAARN O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000014074897 556361364 /nfs/dbraw/zinc/36/13/64/556361364.db2.gz MEWRESQUDQLXSD-UHFFFAOYSA-N 0 0 427.479 5.130 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@@H]2CCCC[C@@H]2C)c1 ZINC000014075405 556361523 /nfs/dbraw/zinc/36/15/23/556361523.db2.gz AKOCAXHHNBGBCQ-DOTOQJQBSA-N 0 0 446.041 6.695 50 0 IKAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCCC[C@@H]1c1nccn1C ZINC000011820053 556361926 /nfs/dbraw/zinc/36/19/26/556361926.db2.gz LHSVEIZNSRIBEW-XMMPIXPASA-N 0 0 428.536 5.903 50 0 IKAARN CCn1c(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000014083317 556363228 /nfs/dbraw/zinc/36/32/28/556363228.db2.gz AHORVLFOQXYCEW-SFHVURJKSA-N 0 0 449.605 5.031 50 0 IKAARN O=C(c1ccccc1SC[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014083856 556363525 /nfs/dbraw/zinc/36/35/25/556363525.db2.gz LQLMNKYLIPREDC-ZWKOTPCHSA-N 0 0 438.618 5.587 50 0 IKAARN O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014083848 556363611 /nfs/dbraw/zinc/36/36/11/556363611.db2.gz LQLMNKYLIPREDC-MSOLQXFVSA-N 0 0 438.618 5.587 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000014086650 556364680 /nfs/dbraw/zinc/36/46/80/556364680.db2.gz YXGKIDROXZQNQX-MUUNZHRXSA-N 0 0 436.555 6.063 50 0 IKAARN O=C(Nc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)c1)c1ccccc1Cl ZINC000014095084 556366941 /nfs/dbraw/zinc/36/69/41/556366941.db2.gz MZJFULZGEKHLFE-DEOSSOPVSA-N 0 0 445.950 6.101 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C ZINC000014095563 556367589 /nfs/dbraw/zinc/36/75/89/556367589.db2.gz XBWWWVTUVBHYLU-QHCPKHFHSA-N 0 0 439.559 5.248 50 0 IKAARN C[C@H](NC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000011872439 556369009 /nfs/dbraw/zinc/36/90/09/556369009.db2.gz NNPOFTHCBDVNFL-SIBVEZHUSA-N 0 0 432.589 5.264 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c1C ZINC000014112961 556370174 /nfs/dbraw/zinc/37/01/74/556370174.db2.gz GVBCUCQCDUYTDU-UHFFFAOYSA-N 0 0 448.548 5.017 50 0 IKAARN O=C(CSc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1Cl ZINC000011874694 556370694 /nfs/dbraw/zinc/37/06/94/556370694.db2.gz RCKJLHNXKGEFFP-XMMPIXPASA-N 0 0 433.964 5.483 50 0 IKAARN CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1CC(C)C)c1ccccc1 ZINC000014117302 556371209 /nfs/dbraw/zinc/37/12/09/556371209.db2.gz FMOGFPKYFGPUMA-SFHVURJKSA-N 0 0 438.597 5.143 50 0 IKAARN CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1CC(C)C)c1ccccc1 ZINC000014117299 556371300 /nfs/dbraw/zinc/37/13/00/556371300.db2.gz FMOGFPKYFGPUMA-GOSISDBHSA-N 0 0 438.597 5.143 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014123653 556372456 /nfs/dbraw/zinc/37/24/56/556372456.db2.gz ZBDIALSRJLAXIC-SANMLTNESA-N 0 0 442.538 5.157 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000014122861 556372465 /nfs/dbraw/zinc/37/24/65/556372465.db2.gz CHCNTYHAWBYJRR-LJQANCHMSA-N 0 0 439.899 6.001 50 0 IKAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NC(c1ccccc1)c1ccccc1 ZINC000011880715 556372446 /nfs/dbraw/zinc/37/24/46/556372446.db2.gz NNWRHZMLFJCXCU-MHZLTWQESA-N 0 0 446.978 5.217 50 0 IKAARN COc1cccc(NC(=O)[C@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1 ZINC000014124000 556372918 /nfs/dbraw/zinc/37/29/18/556372918.db2.gz YCQNHAFPMBVWBV-HSZRJFAPSA-N 0 0 449.601 5.658 50 0 IKAARN O=c1nc(SCc2csc(-c3ccccc3Cl)n2)[nH]c2sc3c(c21)CCCC3 ZINC000014128700 556373800 /nfs/dbraw/zinc/37/38/00/556373800.db2.gz BKECCZLJVDNKAC-UHFFFAOYSA-N 0 0 446.022 5.933 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)N1CCc2ccccc2C1 ZINC000014128834 556373825 /nfs/dbraw/zinc/37/38/25/556373825.db2.gz FZTLMSYYVTXGMW-SFHVURJKSA-N 0 0 425.557 5.362 50 0 IKAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014128648 556373830 /nfs/dbraw/zinc/37/38/30/556373830.db2.gz DWCFMRDRZAJPFP-OAQYLSRUSA-N 0 0 439.537 5.106 50 0 IKAARN O=C(Nc1cccc(CSc2ccccn2)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000109702648 556374909 /nfs/dbraw/zinc/37/49/09/556374909.db2.gz OCHRRMPSKBOPLE-UHFFFAOYSA-N 0 0 437.528 5.336 50 0 IKAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)[C@H]1CCOC(C)(C)C1)C2 ZINC000011913298 556375908 /nfs/dbraw/zinc/37/59/08/556375908.db2.gz UIELHFRKHGVJDI-GMAHTHKFSA-N 0 0 444.575 5.144 50 0 IKAARN CCC(CC)C(=O)N(CCOC)Cc1cc2ccc(OC)cc2nc1-c1cccc(C)c1 ZINC000011913372 556375995 /nfs/dbraw/zinc/37/59/95/556375995.db2.gz JWBYIYLJFUJDCQ-UHFFFAOYSA-N 0 0 434.580 5.630 50 0 IKAARN COc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)c(OC)c1 ZINC000011914531 556376186 /nfs/dbraw/zinc/37/61/86/556376186.db2.gz XDZCSFBAEQNECJ-UHFFFAOYSA-N 0 0 429.929 5.000 50 0 IKAARN Cc1nc2cc(OCc3cc(C(=O)N(C)[C@H]4CCCc5ccccc54)no3)ccc2s1 ZINC000011932763 556376518 /nfs/dbraw/zinc/37/65/18/556376518.db2.gz UMRFRHZXTODTJD-QFIPXVFZSA-N 0 0 433.533 5.321 50 0 IKAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)CCc3nc4ccccc4s3)C2)c1 ZINC000011933431 556376855 /nfs/dbraw/zinc/37/68/55/556376855.db2.gz DUUAKYXHFPAXJH-IBGZPJMESA-N 0 0 436.577 5.138 50 0 IKAARN Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000014141943 556377280 /nfs/dbraw/zinc/37/72/80/556377280.db2.gz ROPWWQGJGNOANF-UHFFFAOYSA-N 0 0 429.904 5.583 50 0 IKAARN Cc1sc2nc(CN3CCCC3)nc(Sc3nnc(-c4cccc(C)c4)o3)c2c1C ZINC000014142358 556377321 /nfs/dbraw/zinc/37/73/21/556377321.db2.gz KTEBFUVHDJSYHV-UHFFFAOYSA-N 0 0 437.594 5.414 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c5c(cccc53)CC4)n2)s1 ZINC000014158089 556377936 /nfs/dbraw/zinc/37/79/36/556377936.db2.gz XJGJRBFNHYHSLP-UHFFFAOYSA-N 0 0 433.558 5.012 50 0 IKAARN O=C(c1cc(COc2cccc3cnccc32)on1)N1CCC(Cc2ccccc2F)CC1 ZINC000011934767 556377993 /nfs/dbraw/zinc/37/79/93/556377993.db2.gz XPMYMAPEBYGQMB-UHFFFAOYSA-N 0 0 445.494 5.036 50 0 IKAARN Cc1nc([C@@H](C)NC(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)cs1 ZINC000011935601 556378353 /nfs/dbraw/zinc/37/83/53/556378353.db2.gz DAPBMTGOMMGFHM-SNVBAGLBSA-N 0 0 436.484 5.338 50 0 IKAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)Nc4ccc(SC)cc4)C3)ccc2c1 ZINC000011944301 556379955 /nfs/dbraw/zinc/37/99/55/556379955.db2.gz UALQBHCZMOSNKP-HXUWFJFHSA-N 0 0 434.561 5.697 50 0 IKAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014167385 556380159 /nfs/dbraw/zinc/38/01/59/556380159.db2.gz UBSYNBFASAGLHT-UHFFFAOYSA-N 0 0 449.420 5.065 50 0 IKAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000014170353 556381278 /nfs/dbraw/zinc/38/12/78/556381278.db2.gz HGAHIOVHBPEDOI-UHFFFAOYSA-N 0 0 431.923 5.106 50 0 IKAARN CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 ZINC000014171848 556381859 /nfs/dbraw/zinc/38/18/59/556381859.db2.gz ZWONTFSFRCPMQJ-UHFFFAOYSA-N 0 0 428.517 5.073 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2c(c1)CCCC2 ZINC000014180307 556382178 /nfs/dbraw/zinc/38/21/78/556382178.db2.gz XJRVIFHGRIAAAJ-HNNXBMFYSA-N 0 0 438.622 5.190 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCc3sccc3[C@@H]2C)cc1 ZINC000014180463 556382252 /nfs/dbraw/zinc/38/22/52/556382252.db2.gz WYBSLTHXCYBKRX-KRWDZBQOSA-N 0 0 430.573 5.984 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2c(c1)CCCC2 ZINC000014180303 556382298 /nfs/dbraw/zinc/38/22/98/556382298.db2.gz XJRVIFHGRIAAAJ-OAHLLOKOSA-N 0 0 438.622 5.190 50 0 IKAARN COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc(OC)c1OCc1ccccc1 ZINC000014181049 556382505 /nfs/dbraw/zinc/38/25/05/556382505.db2.gz IZMRASWGKQQCFY-UHFFFAOYSA-N 0 0 435.495 5.227 50 0 IKAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014182725 556382764 /nfs/dbraw/zinc/38/27/64/556382764.db2.gz BNAOWDHXAMYCAE-OAQYLSRUSA-N 0 0 432.520 5.992 50 0 IKAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)Cc1ccccc1Cl ZINC000014183380 556383422 /nfs/dbraw/zinc/38/34/22/556383422.db2.gz PPOJYXYFIBWXTO-UHFFFAOYSA-N 0 0 429.745 5.745 50 0 IKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)Nc1ccc(Cl)cn1 ZINC000014184809 556384739 /nfs/dbraw/zinc/38/47/39/556384739.db2.gz NEEZFOATUCOYHA-QWRGUYRKSA-N 0 0 434.974 5.091 50 0 IKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)Nc1ccc(Cl)cn1 ZINC000014184808 556384749 /nfs/dbraw/zinc/38/47/49/556384749.db2.gz NEEZFOATUCOYHA-MNOVXSKESA-N 0 0 434.974 5.091 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)Cc3csc(-c4ccc(C)cc4)n3)s2)cs1 ZINC000014186274 556386144 /nfs/dbraw/zinc/38/61/44/556386144.db2.gz ZBDIDBGJBUZXJA-UHFFFAOYSA-N 0 0 425.604 5.471 50 0 IKAARN O=S(=O)(NCCSCc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000014186309 556386162 /nfs/dbraw/zinc/38/61/62/556386162.db2.gz NPFUCZMQBDWSGJ-UHFFFAOYSA-N 0 0 445.220 5.512 50 0 IKAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000012004305 556386400 /nfs/dbraw/zinc/38/64/00/556386400.db2.gz NEBZGSVWEVVXNZ-UHFFFAOYSA-N 0 0 444.959 5.159 50 0 IKAARN Cc1ccc(-n2ncc3c2nc(SCc2ncc(-c4ccc(Cl)cc4)o2)[nH]c3=O)cc1 ZINC000014198715 556389946 /nfs/dbraw/zinc/38/99/46/556389946.db2.gz KUXXNYCCDCWOMQ-UHFFFAOYSA-N 0 0 449.923 5.018 50 0 IKAARN CCOc1ccc(NC(=O)CCC(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000012039981 556390751 /nfs/dbraw/zinc/39/07/51/556390751.db2.gz NVNZUQMFBIIPKQ-UHFFFAOYSA-N 0 0 439.515 5.675 50 0 IKAARN O=C(c1ccc(Cl)cc1OC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCCCC1 ZINC000012049700 556392032 /nfs/dbraw/zinc/39/20/32/556392032.db2.gz XKQFSDAYDSCZNQ-UHFFFAOYSA-N 0 0 448.941 5.288 50 0 IKAARN c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1CN1CCN(c2ccccn2)CC1 ZINC000012056402 556394173 /nfs/dbraw/zinc/39/41/73/556394173.db2.gz NKUIXROMKLLRFA-UHFFFAOYSA-N 0 0 449.558 5.062 50 0 IKAARN O=C(CCC1CCN(C(=O)c2cc3ccccc3o2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012057889 556394949 /nfs/dbraw/zinc/39/49/49/556394949.db2.gz ROLPWAWXEPKHRP-UHFFFAOYSA-N 0 0 428.891 5.496 50 0 IKAARN Cc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(Cl)c2)N(CCc2ccccc2)C1=O ZINC000012062501 556395779 /nfs/dbraw/zinc/39/57/79/556395779.db2.gz VBIYLBFRYGYRIA-HSZRJFAPSA-N 0 0 429.903 5.543 50 0 IKAARN Cc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(Cl)c2)N(CCc2ccccc2)C1=O ZINC000012062502 556395809 /nfs/dbraw/zinc/39/58/09/556395809.db2.gz VBIYLBFRYGYRIA-QHCPKHFHSA-N 0 0 429.903 5.543 50 0 IKAARN CN(Cc1cc2cc(F)ccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000012074813 556397114 /nfs/dbraw/zinc/39/71/14/556397114.db2.gz BGHPJCBBTOONML-UHFFFAOYSA-N 0 0 426.495 5.502 50 0 IKAARN Cc1nc(COc2cccc(C(=O)Nc3nc4c(ccc5ccccc45)s3)c2)cs1 ZINC000014231038 556397575 /nfs/dbraw/zinc/39/75/75/556397575.db2.gz QBKSUUBTSBJDBZ-UHFFFAOYSA-N 0 0 431.542 6.046 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000014238673 556400264 /nfs/dbraw/zinc/40/02/64/556400264.db2.gz IJDONRLDMHUFLR-QHCPKHFHSA-N 0 0 442.346 5.003 50 0 IKAARN Brc1cccc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)c1 ZINC000014241415 556401737 /nfs/dbraw/zinc/40/17/37/556401737.db2.gz UQSDWFHNQNMARE-UHFFFAOYSA-N 0 0 430.352 5.915 50 0 IKAARN S=c1n(CN2CCc3sccc3[C@H]2c2ccccc2)nc(-c2ccncc2)n1C1CC1 ZINC000014241316 556401781 /nfs/dbraw/zinc/40/17/81/556401781.db2.gz WOXOHISIKMRZLQ-JOCHJYFZSA-N 0 0 445.617 5.478 50 0 IKAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccco1)Cc1ccccc1 ZINC000014242894 556403416 /nfs/dbraw/zinc/40/34/16/556403416.db2.gz VJVAFIQIVBSJBF-UHFFFAOYSA-N 0 0 444.560 5.059 50 0 IKAARN COc1ccc2cc(CSCc3cc4ccc(OC)cc4nc3Cl)c(Cl)nc2c1 ZINC000014244023 556403752 /nfs/dbraw/zinc/40/37/52/556403752.db2.gz PHZLKCYLWZTPTJ-UHFFFAOYSA-N 0 0 445.371 6.540 50 0 IKAARN C[C@H](Sc1ccc2c(c1)OCCCO2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014244613 556404378 /nfs/dbraw/zinc/40/43/78/556404378.db2.gz XEPXOGVBTXDYQD-LBPRGKRZSA-N 0 0 442.587 5.728 50 0 IKAARN CCOc1ccc(-c2nc(CN[C@@H](c3cccs3)c3ccccc3)cs2)cc1OC ZINC000014244629 556404435 /nfs/dbraw/zinc/40/44/35/556404435.db2.gz MICBIJYBJRBTQU-HSZRJFAPSA-N 0 0 436.602 6.158 50 0 IKAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000032579165 556404804 /nfs/dbraw/zinc/40/48/04/556404804.db2.gz KJOSUOIJSSBMMJ-UHFFFAOYSA-N 0 0 437.858 5.038 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)o1 ZINC000014245121 556404967 /nfs/dbraw/zinc/40/49/67/556404967.db2.gz KUANRKZEUKPKHT-LJQANCHMSA-N 0 0 439.924 6.072 50 0 IKAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1Cl ZINC000032578566 556405314 /nfs/dbraw/zinc/40/53/14/556405314.db2.gz NUJDSHWVEDLQFW-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000032578738 556405561 /nfs/dbraw/zinc/40/55/61/556405561.db2.gz UJEHGUJZPQXMIP-UHFFFAOYSA-N 0 0 439.393 5.587 50 0 IKAARN C[C@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc43)OC(=O)[C@]21C(=O)c1ccccc1 ZINC000229905734 556407144 /nfs/dbraw/zinc/40/71/44/556407144.db2.gz GTNLCMPDTPMAER-SUHSUELASA-N 0 0 432.475 5.615 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)s4)ns3)c(C)c2c1 ZINC000032593569 556407209 /nfs/dbraw/zinc/40/72/09/556407209.db2.gz DRCGAJFNZSTDNT-UHFFFAOYSA-N 0 0 448.367 5.898 50 0 IKAARN CC(C)C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 ZINC000014247914 556407431 /nfs/dbraw/zinc/40/74/31/556407431.db2.gz GPZOUBXOHHNRBL-JOCHJYFZSA-N 0 0 434.609 5.200 50 0 IKAARN COc1cc(C(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000032593874 556407519 /nfs/dbraw/zinc/40/75/19/556407519.db2.gz YZTMJBUZQSBLSW-DEOSSOPVSA-N 0 0 430.504 5.055 50 0 IKAARN CCCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 ZINC000004352787 556408892 /nfs/dbraw/zinc/40/88/92/556408892.db2.gz OJYASGPSCYHQPJ-QHCPKHFHSA-N 0 0 431.540 5.165 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3ccc(-c4nc(-c5ccc(C)s5)no4)cc3)c(C)c2c1 ZINC000032622267 556409679 /nfs/dbraw/zinc/40/96/79/556409679.db2.gz IGHFMAFZOXHFEY-UHFFFAOYSA-N 0 0 443.528 6.643 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1 ZINC000032622885 556410222 /nfs/dbraw/zinc/41/02/22/556410222.db2.gz YUSOTGWIGLUEEO-OAHLLOKOSA-N 0 0 449.894 5.472 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000032622908 556410247 /nfs/dbraw/zinc/41/02/47/556410247.db2.gz SJPROWOBAXLMEV-KRWDZBQOSA-N 0 0 429.476 5.127 50 0 IKAARN O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccc(Br)o1 ZINC000032623626 556410699 /nfs/dbraw/zinc/41/06/99/556410699.db2.gz JPOKRIQLPYRQPP-UHFFFAOYSA-N 0 0 428.217 5.151 50 0 IKAARN O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccc(Br)o1 ZINC000032623751 556411010 /nfs/dbraw/zinc/41/10/10/556411010.db2.gz TYYXURJTQBYBNL-UHFFFAOYSA-N 0 0 444.672 5.665 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000014269843 556411144 /nfs/dbraw/zinc/41/11/44/556411144.db2.gz CVTPJJXTCUFMLS-UHFFFAOYSA-N 0 0 447.785 5.999 50 0 IKAARN O=C(Oc1ccc(Cl)cc1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000032624098 556411163 /nfs/dbraw/zinc/41/11/63/556411163.db2.gz JUJPOZWNXIAKAT-UHFFFAOYSA-N 0 0 425.724 5.948 50 0 IKAARN CC(=O)c1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c(C)c1 ZINC000032624126 556411188 /nfs/dbraw/zinc/41/11/88/556411188.db2.gz NOZSCYSKFOJBIX-UHFFFAOYSA-N 0 0 430.888 5.292 50 0 IKAARN CC(=O)c1cc(F)ccc1OC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000032624095 556411236 /nfs/dbraw/zinc/41/12/36/556411236.db2.gz YCAJDAMLAHYLKS-UHFFFAOYSA-N 0 0 434.851 5.122 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000014273631 556411384 /nfs/dbraw/zinc/41/13/84/556411384.db2.gz OWJLKMWNXJLVCI-UHFFFAOYSA-N 0 0 449.982 5.232 50 0 IKAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1 ZINC000032624634 556411447 /nfs/dbraw/zinc/41/14/47/556411447.db2.gz PSFCOENHPNHSRS-UHFFFAOYSA-N 0 0 447.516 5.290 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cnc3sc4c(n3c2=O)CC[C@H](C(C)(C)C)C4)cc1 ZINC000014291530 556411764 /nfs/dbraw/zinc/41/17/64/556411764.db2.gz PMYCULZVGGSGAV-KRWDZBQOSA-N 0 0 437.609 5.457 50 0 IKAARN COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)c(OC)c1 ZINC000012809404 556411944 /nfs/dbraw/zinc/41/19/44/556411944.db2.gz BIEQZYSGMBNFSA-UHFFFAOYSA-N 0 0 426.516 5.500 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000059988088 556412670 /nfs/dbraw/zinc/41/26/70/556412670.db2.gz JSFPSPWFIAEXAS-AWEZNQCLSA-N 0 0 444.348 5.142 50 0 IKAARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1(c2ccccc2)CCOCC1 ZINC000032822749 556412694 /nfs/dbraw/zinc/41/26/94/556412694.db2.gz BOWLKIVMRVAMAU-UHFFFAOYSA-N 0 0 437.486 5.566 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000059988142 556412734 /nfs/dbraw/zinc/41/27/34/556412734.db2.gz YPPXPDAREPAYLU-AWEZNQCLSA-N 0 0 446.776 5.348 50 0 IKAARN CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)c2c[nH]c3c2cccc3CC)cc1 ZINC000014358054 556414085 /nfs/dbraw/zinc/41/40/85/556414085.db2.gz PLNPTTCQNMMJGU-UHFFFAOYSA-N 0 0 433.548 5.852 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)ccc21 ZINC000014357615 556414114 /nfs/dbraw/zinc/41/41/14/556414114.db2.gz MXWWPHRIHTYRTC-UHFFFAOYSA-N 0 0 439.515 5.410 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nn(-c3ccccc3Cl)c3c2CCCC3)cc1Cl ZINC000032671808 556414212 /nfs/dbraw/zinc/41/42/12/556414212.db2.gz QXNXWAXXTQADRS-UHFFFAOYSA-N 0 0 446.334 5.327 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2C)n(-c2nc3ccccc3n2Cc2ccc(F)cc2)n1 ZINC000014359055 556414436 /nfs/dbraw/zinc/41/44/36/556414436.db2.gz BUDOCBTUOZRHJG-UHFFFAOYSA-N 0 0 439.494 5.279 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cccc(OCC(C)C)c3)cs2)cc1 ZINC000032672144 556414756 /nfs/dbraw/zinc/41/47/56/556414756.db2.gz QRMHZXFEUDUHIR-UHFFFAOYSA-N 0 0 438.549 5.025 50 0 IKAARN COc1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c(OC)cc1Cl ZINC000012941897 556416726 /nfs/dbraw/zinc/41/67/26/556416726.db2.gz UZHDXEBMHZMJMN-QHCPKHFHSA-N 0 0 442.968 5.005 50 0 IKAARN O=C(Oc1ccc(Cl)c2cccnc12)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032666039 556417261 /nfs/dbraw/zinc/41/72/61/556417261.db2.gz UNAOSFZEUZQDSC-XVPJOVGPSA-N 0 0 438.955 5.001 50 0 IKAARN O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccccc1C(=O)NC1CCCC1 ZINC000032667980 556417799 /nfs/dbraw/zinc/41/77/99/556417799.db2.gz BELLWHBFUMAXSZ-UHFFFAOYSA-N 0 0 427.504 5.011 50 0 IKAARN Cc1ccc(C)n1-c1sccc1-c1cc2nccc(-c3ccc(Cl)cc3Cl)n2n1 ZINC000012955275 556418483 /nfs/dbraw/zinc/41/84/83/556418483.db2.gz HDULFDSYGRHKMO-UHFFFAOYSA-N 0 0 439.371 6.839 50 0 IKAARN Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(Oc2ccc(Cl)cc2Cl)n1 ZINC000012955606 556418613 /nfs/dbraw/zinc/41/86/13/556418613.db2.gz YNPLJDWCYJTOEU-SANMLTNESA-N 0 0 427.740 5.845 50 0 IKAARN O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000012973025 556419329 /nfs/dbraw/zinc/41/93/29/556419329.db2.gz ZKNWEYWEAAXHIZ-UHFFFAOYSA-N 0 0 442.544 5.039 50 0 IKAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000012974010 556419910 /nfs/dbraw/zinc/41/99/10/556419910.db2.gz WACGDRCAEQEROO-MRXNPFEDSA-N 0 0 441.647 5.583 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2)ccc1C ZINC000012974758 556420568 /nfs/dbraw/zinc/42/05/68/556420568.db2.gz YSOQDVDZURMEIX-HXUWFJFHSA-N 0 0 436.577 5.043 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000012976136 556421992 /nfs/dbraw/zinc/42/19/92/556421992.db2.gz KZLJLLRGNWROGF-NSHDSACASA-N 0 0 431.699 5.319 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(NC3CCCC3)cnc2n1CCC(C)C ZINC000014534498 556422507 /nfs/dbraw/zinc/42/25/07/556422507.db2.gz VIZMAGLFDSCINS-UHFFFAOYSA-N 0 0 438.528 5.069 50 0 IKAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000012981697 556424501 /nfs/dbraw/zinc/42/45/01/556424501.db2.gz MDUDQMOKCVPSRK-UHFFFAOYSA-N 0 0 447.318 5.363 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 ZINC000032679725 556425104 /nfs/dbraw/zinc/42/51/04/556425104.db2.gz GOOXNALIBIUURT-VWLOTQADSA-N 0 0 443.572 6.309 50 0 IKAARN COc1cc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc(OC)c1 ZINC000012983548 556425708 /nfs/dbraw/zinc/42/57/08/556425708.db2.gz VJOPPURSKUFCKP-UHFFFAOYSA-N 0 0 432.476 5.293 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5cccc(Cl)c5)no4)c(=O)c23)cc1 ZINC000012986520 556427079 /nfs/dbraw/zinc/42/70/79/556427079.db2.gz RVOBBOZFVPSOBF-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000012987645 556427636 /nfs/dbraw/zinc/42/76/36/556427636.db2.gz FWEOVWIZVBKLAE-UHFFFAOYSA-N 0 0 445.569 5.161 50 0 IKAARN Cc1csc(N(C(=O)CSc2nnc(C)n2C2CCCCC2)c2ccccc2)n1 ZINC000012993672 556429361 /nfs/dbraw/zinc/42/93/61/556429361.db2.gz XMWFCTSKAWJFAH-UHFFFAOYSA-N 0 0 427.599 5.314 50 0 IKAARN CC(C)(C)c1ccc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)cc1 ZINC000012997197 556431661 /nfs/dbraw/zinc/43/16/61/556431661.db2.gz XIGBDKLWELCJKZ-UHFFFAOYSA-N 0 0 434.653 5.902 50 0 IKAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000014673248 556431700 /nfs/dbraw/zinc/43/17/00/556431700.db2.gz BLPLLUDVUNBFJO-UHFFFAOYSA-N 0 0 427.291 5.454 50 0 IKAARN O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000014673304 556431729 /nfs/dbraw/zinc/43/17/29/556431729.db2.gz DQPCIFVBSXHNCV-UHFFFAOYSA-N 0 0 428.291 5.247 50 0 IKAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000014673216 556431737 /nfs/dbraw/zinc/43/17/37/556431737.db2.gz QCGPMAGPJREPHZ-LJQANCHMSA-N 0 0 446.334 5.048 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2ccccn2)cc1 ZINC000011024735 556433080 /nfs/dbraw/zinc/43/30/80/556433080.db2.gz GUQMFNBAKFRRMR-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN O=C(CSc1nc2ccccc2o1)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000027814568 556433259 /nfs/dbraw/zinc/43/32/59/556433259.db2.gz ARSFQVXIEQFJGY-KRWDZBQOSA-N 0 0 433.558 5.411 50 0 IKAARN Cc1ccc2cc(COC(=O)C3(CC(=O)NC(C)(C)C)CCCC3)c(Cl)nc2c1C ZINC000013002128 556433794 /nfs/dbraw/zinc/43/37/94/556433794.db2.gz WMJZARZHHGWMTO-UHFFFAOYSA-N 0 0 430.976 5.413 50 0 IKAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCCC2 ZINC000011024925 556434166 /nfs/dbraw/zinc/43/41/66/556434166.db2.gz LRLUWPDQLSRPNT-UHFFFAOYSA-N 0 0 441.556 5.583 50 0 IKAARN Cc1nc2ccccc2c(C)c1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 ZINC000013004054 556434456 /nfs/dbraw/zinc/43/44/56/556434456.db2.gz SHGJHASFJXGBIC-UHFFFAOYSA-N 0 0 447.610 7.017 50 0 IKAARN O=C(c1sc2cc(F)ccc2c1Cl)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014704108 556434542 /nfs/dbraw/zinc/43/45/42/556434542.db2.gz DSSWKVWOEPVBQU-GOSISDBHSA-N 0 0 433.982 6.605 50 0 IKAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000014704443 556434577 /nfs/dbraw/zinc/43/45/77/556434577.db2.gz GCKVRJBVOSOVEN-ROUUACIJSA-N 0 0 436.508 6.108 50 0 IKAARN CCCCCCc1ccc(C(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)C(C)C)cc1 ZINC000004408232 556434823 /nfs/dbraw/zinc/43/48/23/556434823.db2.gz JWLQCAVPGZEUAF-UHFFFAOYSA-N 0 0 431.598 5.199 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)n2)cc1 ZINC000013008569 556435391 /nfs/dbraw/zinc/43/53/91/556435391.db2.gz JNAZKHXVIXGVFN-NRFANRHFSA-N 0 0 435.549 5.303 50 0 IKAARN COc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1OC ZINC000014712498 556435443 /nfs/dbraw/zinc/43/54/43/556435443.db2.gz SUCJESHRGPSGCW-UHFFFAOYSA-N 0 0 427.504 5.426 50 0 IKAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000014729097 556436433 /nfs/dbraw/zinc/43/64/33/556436433.db2.gz CIMASRZXWSRNTQ-UHFFFAOYSA-N 0 0 436.625 5.249 50 0 IKAARN Brc1ccc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)o1 ZINC000013013623 556436625 /nfs/dbraw/zinc/43/66/25/556436625.db2.gz OGBMRTNEIANPCE-CYBMUJFWSA-N 0 0 445.342 5.429 50 0 IKAARN Cc1cc(NC(=O)c2cccc(NCCc3ccccc3)n2)n(-c2ccc(Cl)cc2)n1 ZINC000013015782 556437654 /nfs/dbraw/zinc/43/76/54/556437654.db2.gz ZFNAIPHHUCKSIM-UHFFFAOYSA-N 0 0 431.927 5.136 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C(C)C)ccc3C)C2=O)cc1 ZINC000004548447 556437842 /nfs/dbraw/zinc/43/78/42/556437842.db2.gz UBDFUDLLRYTGRC-NDEPHWFRSA-N 0 0 427.544 5.434 50 0 IKAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000027982648 556438485 /nfs/dbraw/zinc/43/84/85/556438485.db2.gz XUABOANPDFIHSM-UHFFFAOYSA-N 0 0 434.521 5.172 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000013017596 556438643 /nfs/dbraw/zinc/43/86/43/556438643.db2.gz KQXAICFAOVNKJC-CQSZACIVSA-N 0 0 447.318 5.108 50 0 IKAARN CCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1C ZINC000013017962 556439002 /nfs/dbraw/zinc/43/90/02/556439002.db2.gz DRQWJHMUJXCLHJ-GFCCVEGCSA-N 0 0 439.737 5.165 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3N3CCCC3)c2n1 ZINC000013017870 556439048 /nfs/dbraw/zinc/43/90/48/556439048.db2.gz JLZATQSCKRXDTC-UHFFFAOYSA-N 0 0 430.335 5.468 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000013017973 556439069 /nfs/dbraw/zinc/43/90/69/556439069.db2.gz MRNXQPGDPCEIRX-UHFFFAOYSA-N 0 0 430.529 5.365 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc(-c2ccc(C)cc2)ns1 ZINC000027988972 556439322 /nfs/dbraw/zinc/43/93/22/556439322.db2.gz HQXXOBKBFXOKRA-UHFFFAOYSA-N 0 0 428.311 5.583 50 0 IKAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000032689203 556439589 /nfs/dbraw/zinc/43/95/89/556439589.db2.gz PAVKYBAXBALZMV-UHFFFAOYSA-N 0 0 442.500 5.262 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1F ZINC000027989877 556439729 /nfs/dbraw/zinc/43/97/29/556439729.db2.gz BFMLGIGKZHKATK-QFIPXVFZSA-N 0 0 441.934 5.400 50 0 IKAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027990408 556439737 /nfs/dbraw/zinc/43/97/37/556439737.db2.gz CIKWCUBAUYXNPP-UHFFFAOYSA-N 0 0 440.886 5.842 50 0 IKAARN CCN(C(=O)COc1ccc(F)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991248 556439937 /nfs/dbraw/zinc/43/99/37/556439937.db2.gz YKKJKHJPVDFMCY-SANMLTNESA-N 0 0 432.495 5.333 50 0 IKAARN Fc1ccc(-c2nnc(SCc3coc(-c4ccccc4)n3)n2C[C@H]2CCCO2)cc1 ZINC000032691292 556440000 /nfs/dbraw/zinc/44/00/00/556440000.db2.gz IJTWEOXYDLJLEM-HXUWFJFHSA-N 0 0 436.512 5.211 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=S)Nc1ccc(F)cc1 ZINC000013026644 556440627 /nfs/dbraw/zinc/44/06/27/556440627.db2.gz XYSQTMLDOUHBBE-UHFFFAOYSA-N 0 0 434.515 5.646 50 0 IKAARN CCN(C(=O)COc1cccc(C)c1C)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993252 556440684 /nfs/dbraw/zinc/44/06/84/556440684.db2.gz UELFDMOHMWMJAR-NDEPHWFRSA-N 0 0 426.560 6.110 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1 ZINC000027993700 556440700 /nfs/dbraw/zinc/44/07/00/556440700.db2.gz FSYPEPMIYOSMIM-UHFFFAOYSA-N 0 0 428.557 5.310 50 0 IKAARN Cc1ccc(Nc2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000013027592 556441099 /nfs/dbraw/zinc/44/10/99/556441099.db2.gz UWLJMQXTEMYHJB-UHFFFAOYSA-N 0 0 435.380 5.572 50 0 IKAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1C1CCCCC1 ZINC000013028430 556441320 /nfs/dbraw/zinc/44/13/20/556441320.db2.gz LNOUHZQWZGWLPN-LBPRGKRZSA-N 0 0 428.480 5.110 50 0 IKAARN O=C([C@@H]1CC=CCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013031154 556442431 /nfs/dbraw/zinc/44/24/31/556442431.db2.gz GAQWBGNBQFAZQF-AEFFLSMTSA-N 0 0 447.398 5.441 50 0 IKAARN C[C@H]1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccccc2S1 ZINC000013031370 556442534 /nfs/dbraw/zinc/44/25/34/556442534.db2.gz KWVUJFVHWQFRSD-JTQLQIEISA-N 0 0 445.755 5.116 50 0 IKAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Oc3ccc(Cl)cc3)c2c1C ZINC000013031547 556442553 /nfs/dbraw/zinc/44/25/53/556442553.db2.gz VLMUOYXAACPQPW-UHFFFAOYSA-N 0 0 445.972 5.608 50 0 IKAARN C[C@@H]1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccccc2S1 ZINC000013031366 556442559 /nfs/dbraw/zinc/44/25/59/556442559.db2.gz KWVUJFVHWQFRSD-SNVBAGLBSA-N 0 0 445.755 5.116 50 0 IKAARN COc1ccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC ZINC000013031981 556443011 /nfs/dbraw/zinc/44/30/11/556443011.db2.gz WIESXFQUYYDXDU-JOCHJYFZSA-N 0 0 444.453 5.192 50 0 IKAARN CC(C)c1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 ZINC000013037028 556443297 /nfs/dbraw/zinc/44/32/97/556443297.db2.gz IMEWADXYDRYSFQ-MRXNPFEDSA-N 0 0 426.314 5.143 50 0 IKAARN COc1ccccc1CCC(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000013038230 556443842 /nfs/dbraw/zinc/44/38/42/556443842.db2.gz KMAUFHKLEYZIJD-UHFFFAOYSA-N 0 0 432.520 6.255 50 0 IKAARN Cc1nc(COc2ccccc2C(=O)Oc2ccc3cc(Br)ccc3c2)no1 ZINC000014771396 556445167 /nfs/dbraw/zinc/44/51/67/556445167.db2.gz SYYPYPKAOJCZSA-UHFFFAOYSA-N 0 0 439.265 5.092 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2c1 ZINC000014780108 556445507 /nfs/dbraw/zinc/44/55/07/556445507.db2.gz QIQKIEGIPUKOOM-UHFFFAOYSA-N 0 0 440.478 5.675 50 0 IKAARN CCOc1ccc(CN(C)[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 ZINC000013040088 556445793 /nfs/dbraw/zinc/44/57/93/556445793.db2.gz SCMIRVZYSAGZDU-QHCPKHFHSA-N 0 0 443.374 6.204 50 0 IKAARN CN(Cc1ccccc1)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013040476 556446212 /nfs/dbraw/zinc/44/62/12/556446212.db2.gz ARJPLBGJSZFOEU-NRFANRHFSA-N 0 0 432.873 6.171 50 0 IKAARN COc1cc(OC)c(C2=CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(OC)c1 ZINC000032860129 556446574 /nfs/dbraw/zinc/44/65/74/556446574.db2.gz GJXAQSDTJTYPLF-UHFFFAOYSA-N 0 0 437.323 5.340 50 0 IKAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000013040832 556446552 /nfs/dbraw/zinc/44/65/52/556446552.db2.gz IZZCKGNTPOXILW-HXUWFJFHSA-N 0 0 433.533 5.457 50 0 IKAARN CCOc1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1OC ZINC000014803627 556447022 /nfs/dbraw/zinc/44/70/22/556447022.db2.gz VBLJWFJXJUCPOS-UHFFFAOYSA-N 0 0 442.537 6.304 50 0 IKAARN c1ccc(-c2nc3nc(-c4ccccc4)nc(N4CCN(c5ccccc5)CC4)c3o2)cc1 ZINC000028287161 556447511 /nfs/dbraw/zinc/44/75/11/556447511.db2.gz ZDEOWBAXBLVKMG-UHFFFAOYSA-N 0 0 433.515 5.278 50 0 IKAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028286849 556447609 /nfs/dbraw/zinc/44/76/09/556447609.db2.gz SBWOYIDHOVCYGA-OAQYLSRUSA-N 0 0 444.362 5.605 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 ZINC000013041613 556447807 /nfs/dbraw/zinc/44/78/07/556447807.db2.gz KKHLQEJBCIZSHM-LBPRGKRZSA-N 0 0 438.424 5.820 50 0 IKAARN Cc1nc(Cc2nnc(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)s2)cs1 ZINC000013041519 556447833 /nfs/dbraw/zinc/44/78/33/556447833.db2.gz JLQFNOYPATXBOT-UHFFFAOYSA-N 0 0 435.603 6.223 50 0 IKAARN COc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)c2ccccn2)cc1OC ZINC000028287316 556448028 /nfs/dbraw/zinc/44/80/28/556448028.db2.gz VHPOFXVOLOLDAI-UHFFFAOYSA-N 0 0 430.504 5.617 50 0 IKAARN Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028288310 556448273 /nfs/dbraw/zinc/44/82/73/556448273.db2.gz BVYCBHTZTUDDOH-OAQYLSRUSA-N 0 0 438.955 5.020 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000028288578 556448468 /nfs/dbraw/zinc/44/84/68/556448468.db2.gz LLBFNCQSEHGFLZ-UHFFFAOYSA-N 0 0 441.350 5.600 50 0 IKAARN Cc1cc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2cc1C ZINC000028288962 556448881 /nfs/dbraw/zinc/44/88/81/556448881.db2.gz DGTUAZADGIWDHV-NRFANRHFSA-N 0 0 438.955 5.020 50 0 IKAARN Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2cc1C ZINC000028288995 556448951 /nfs/dbraw/zinc/44/89/51/556448951.db2.gz PPPOHVNUOPIHMY-NRFANRHFSA-N 0 0 438.955 5.020 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000028289364 556449229 /nfs/dbraw/zinc/44/92/29/556449229.db2.gz HXUBEOGRZFNQJY-GZTJUZNOSA-N 0 0 445.899 5.272 50 0 IKAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1Cl ZINC000013058038 556449440 /nfs/dbraw/zinc/44/94/40/556449440.db2.gz MGSMVJBFZFXQNL-KRWDZBQOSA-N 0 0 427.375 5.720 50 0 IKAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1Cl ZINC000013058036 556449533 /nfs/dbraw/zinc/44/95/33/556449533.db2.gz MGSMVJBFZFXQNL-QGZVFWFLSA-N 0 0 427.375 5.720 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028291778 556450019 /nfs/dbraw/zinc/45/00/19/556450019.db2.gz KWJBOIVOKJUODF-HSZRJFAPSA-N 0 0 434.580 5.150 50 0 IKAARN Cc1c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000028292304 556450323 /nfs/dbraw/zinc/45/03/23/556450323.db2.gz BMNPQBTXTHLNMV-HSZRJFAPSA-N 0 0 448.607 5.459 50 0 IKAARN Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000028292307 556450334 /nfs/dbraw/zinc/45/03/34/556450334.db2.gz BMNPQBTXTHLNMV-QHCPKHFHSA-N 0 0 448.607 5.459 50 0 IKAARN COc1ccccc1NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Br ZINC000028291950 556450385 /nfs/dbraw/zinc/45/03/85/556450385.db2.gz RGHDDDQQTWOOLE-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1)NCc1ccco1 ZINC000013061015 556450335 /nfs/dbraw/zinc/45/03/35/556450335.db2.gz WMIYVCROYWHELW-UHFFFAOYSA-N 0 0 435.332 5.247 50 0 IKAARN O=S(=O)(c1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1)N1CCCC1 ZINC000013060648 556450429 /nfs/dbraw/zinc/45/04/29/556450429.db2.gz IEPLECNUSFHGMY-UHFFFAOYSA-N 0 0 437.949 5.131 50 0 IKAARN Cc1cccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)c1 ZINC000028293313 556451085 /nfs/dbraw/zinc/45/10/85/556451085.db2.gz HNOQNLWQPFITJX-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1 ZINC000013062830 556451257 /nfs/dbraw/zinc/45/12/57/556451257.db2.gz FYNRTIDKDTXSCI-UHFFFAOYSA-N 0 0 432.520 5.397 50 0 IKAARN Cc1nccn1C[C@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000028296652 556451390 /nfs/dbraw/zinc/45/13/90/556451390.db2.gz AVIVGRSHCXPSTQ-VWLOTQADSA-N 0 0 435.571 6.158 50 0 IKAARN Cc1nccn1C[C@@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000028296653 556451404 /nfs/dbraw/zinc/45/14/04/556451404.db2.gz AVIVGRSHCXPSTQ-RUZDIDTESA-N 0 0 435.571 6.158 50 0 IKAARN Cc1c(C)n(C[C@H](O)Cn2c3ccccc3nc2Cc2ccccc2)c2c1cccc2Cl ZINC000028296780 556451745 /nfs/dbraw/zinc/45/17/45/556451745.db2.gz LKVFBHVBXPKFGI-NRFANRHFSA-N 0 0 443.978 5.913 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)Cc3ccccc3C)c2=S)cc1 ZINC000013069218 556452863 /nfs/dbraw/zinc/45/28/63/556452863.db2.gz JKIXHWFAENTWDP-UHFFFAOYSA-N 0 0 449.023 6.430 50 0 IKAARN C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccc(Cl)c1 ZINC000013069888 556452867 /nfs/dbraw/zinc/45/28/67/556452867.db2.gz QCETZYLDYSMXKD-LBPRGKRZSA-N 0 0 430.360 5.809 50 0 IKAARN CCc1ccc2oc(C(=O)N(Cc3ccc(OC)c(OC)c3)c3ccccn3)c(C)c2c1 ZINC000028404653 556453699 /nfs/dbraw/zinc/45/36/99/556453699.db2.gz ZKZLMAANAGTYST-UHFFFAOYSA-N 0 0 430.504 5.563 50 0 IKAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028403687 556453775 /nfs/dbraw/zinc/45/37/75/556453775.db2.gz PMOUZPUTKMBHJL-UHFFFAOYSA-N 0 0 447.878 5.008 50 0 IKAARN O=C(Nc1ccccc1)c1nc(SCc2ccccc2Cl)ncc1Br ZINC000028403022 556453789 /nfs/dbraw/zinc/45/37/89/556453789.db2.gz UHLZCYLETPTAAE-UHFFFAOYSA-N 0 0 434.746 5.437 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000028403467 556453808 /nfs/dbraw/zinc/45/38/08/556453808.db2.gz PMORQKCIZXVWCG-UHFFFAOYSA-N 0 0 436.281 5.062 50 0 IKAARN Cc1ccccc1NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000013071616 556453790 /nfs/dbraw/zinc/45/37/90/556453790.db2.gz AYZRFGQXSYCODP-UHFFFAOYSA-N 0 0 440.330 5.869 50 0 IKAARN CC(C)n1c(=S)n(CN2CCC[C@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1Cl ZINC000013071830 556453803 /nfs/dbraw/zinc/45/38/03/556453803.db2.gz RWGDUDCBAGTJRV-BEFAXECRSA-N 0 0 439.456 6.581 50 0 IKAARN C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000013073017 556454436 /nfs/dbraw/zinc/45/44/36/556454436.db2.gz JUEUCSFEIBNRPG-INIZCTEOSA-N 0 0 440.590 5.146 50 0 IKAARN CN(Cc1ccccc1Cl)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S ZINC000013073812 556454612 /nfs/dbraw/zinc/45/46/12/556454612.db2.gz GWFKPZPZPWCFPZ-LJQANCHMSA-N 0 0 446.979 5.142 50 0 IKAARN O=C(c1cccs1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000014885161 556455104 /nfs/dbraw/zinc/45/51/04/556455104.db2.gz VKQCUZQNQWKUKB-UHFFFAOYSA-N 0 0 446.547 5.746 50 0 IKAARN Cc1ccc(N2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)[C@@H](C)C2)cc1 ZINC000014885762 556455136 /nfs/dbraw/zinc/45/51/36/556455136.db2.gz IDFNGHDVQTTWET-QFIPXVFZSA-N 0 0 438.575 5.269 50 0 IKAARN CCOc1cc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)nn32)ccc1O ZINC000013076245 556455616 /nfs/dbraw/zinc/45/56/16/556455616.db2.gz BVBKRZHWQFXOCF-NRFANRHFSA-N 0 0 444.922 5.163 50 0 IKAARN O=C(Oc1ccc(Cl)c2ccccc12)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000032958365 556455678 /nfs/dbraw/zinc/45/56/78/556455678.db2.gz TULODTGMAYVQCM-UHFFFAOYSA-N 0 0 440.886 5.471 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2)n1 ZINC000013080597 556455949 /nfs/dbraw/zinc/45/59/49/556455949.db2.gz DPMNEGULJGOWCD-DFBJGRDBSA-N 0 0 439.515 5.824 50 0 IKAARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)nc2c1 ZINC000013076281 556455964 /nfs/dbraw/zinc/45/59/64/556455964.db2.gz RCBNMAPXMJAXQV-NSHDSACASA-N 0 0 430.505 5.392 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000013095504 556456313 /nfs/dbraw/zinc/45/63/13/556456313.db2.gz XAUMGDNUJFGXHX-RNODOKPDSA-N 0 0 433.335 5.371 50 0 IKAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2c(s1)CCCCC2 ZINC000013095982 556456563 /nfs/dbraw/zinc/45/65/63/556456563.db2.gz WIZDSFBFSLCYBU-UHFFFAOYSA-N 0 0 444.906 5.400 50 0 IKAARN Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)nc12 ZINC000014898786 556456678 /nfs/dbraw/zinc/45/66/78/556456678.db2.gz FFARUAOILLEKDZ-UHFFFAOYSA-N 0 0 425.410 5.493 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(c1ccccc1)c1ccccc1 ZINC000028628484 556457325 /nfs/dbraw/zinc/45/73/25/556457325.db2.gz DRRZDXDATMWWHM-UHFFFAOYSA-N 0 0 449.963 5.730 50 0 IKAARN C[C@H]1CCCN(C(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1 ZINC000013096609 556457305 /nfs/dbraw/zinc/45/73/05/556457305.db2.gz JIVGVTRREBSZOB-INIZCTEOSA-N 0 0 440.590 5.004 50 0 IKAARN c1sc2nc(-c3ccccc3)nc(NCc3nnc4ccccn43)c2c1-c1ccccc1 ZINC000032869565 556457604 /nfs/dbraw/zinc/45/76/04/556457604.db2.gz MDBJIJODGRZCGC-UHFFFAOYSA-N 0 0 434.528 5.680 50 0 IKAARN Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000013097486 556458215 /nfs/dbraw/zinc/45/82/15/556458215.db2.gz VTRVNMOUHVWNOM-INIZCTEOSA-N 0 0 437.586 5.661 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)n2)c1 ZINC000013098719 556459229 /nfs/dbraw/zinc/45/92/29/556459229.db2.gz UNYRAZGDECZKOE-CYBMUJFWSA-N 0 0 432.929 5.195 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013098204 556459248 /nfs/dbraw/zinc/45/92/48/556459248.db2.gz GHOZMJUQJGWOOJ-UHFFFAOYSA-N 0 0 448.953 7.075 50 0 IKAARN CCC(=O)Cc1csc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000014944529 556459410 /nfs/dbraw/zinc/45/94/10/556459410.db2.gz YAHIZEASRONUHP-UHFFFAOYSA-N 0 0 438.593 5.150 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000072277978 556460074 /nfs/dbraw/zinc/46/00/74/556460074.db2.gz QAAJTURREAVTAG-RUZDIDTESA-N 0 0 435.999 7.235 50 0 IKAARN CCCCCCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)cc1 ZINC000013100664 556460122 /nfs/dbraw/zinc/46/01/22/556460122.db2.gz JQEVRMRCOQXIMD-SFHVURJKSA-N 0 0 434.609 6.161 50 0 IKAARN CN(C(=O)Nc1ccccc1OCC(F)(F)F)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000072277980 556460728 /nfs/dbraw/zinc/46/07/28/556460728.db2.gz GIQDHRANHCJEGU-HXUWFJFHSA-N 0 0 449.860 5.929 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Cc2c(F)cccc2Cl)c2c[nH]c3ccccc32)cc1 ZINC000013102176 556461020 /nfs/dbraw/zinc/46/10/20/556461020.db2.gz PTGNCUULNMRFNW-HXUWFJFHSA-N 0 0 436.914 5.460 50 0 IKAARN Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@@H](C(F)(F)F)C3)c2=S)cc1 ZINC000028783466 556461113 /nfs/dbraw/zinc/46/11/13/556461113.db2.gz CBSXQBDVVKCSAM-QGZVFWFLSA-N 0 0 433.503 5.006 50 0 IKAARN COc1ccc2cc(-c3nc(-c4ccc([S@](C)=O)cc4)[nH]c3-c3ccncc3)ccc2c1 ZINC000028823976 556461797 /nfs/dbraw/zinc/46/17/97/556461797.db2.gz SINQIEAULQKUPD-JGCGQSQUSA-N 0 0 439.540 5.705 50 0 in-vitro IKAARN COc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC000013109076 556462665 /nfs/dbraw/zinc/46/26/65/556462665.db2.gz PHOBEWVBPNURCD-ZDUSSCGKSA-N 0 0 448.441 5.389 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCCSc2ccccc21 ZINC000013109586 556463276 /nfs/dbraw/zinc/46/32/76/556463276.db2.gz RJPRMPMHTGYCKS-UHFFFAOYSA-N 0 0 428.561 5.822 50 0 IKAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000013109691 556463302 /nfs/dbraw/zinc/46/33/02/556463302.db2.gz PRCXBUHNKLLJOH-FQEVSTJZSA-N 0 0 440.591 6.106 50 0 IKAARN COc1ccc(NC(=O)[C@H](Sc2nnc(NC3CC3)s2)c2ccccc2)cc1Cl ZINC000013109657 556463307 /nfs/dbraw/zinc/46/33/07/556463307.db2.gz SLHGOAGSUWIIFA-QGZVFWFLSA-N 0 0 446.985 5.247 50 0 IKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1oc2ccccc2c1CSC1CCCCC1 ZINC000013109946 556463639 /nfs/dbraw/zinc/46/36/39/556463639.db2.gz UDBNQALXSMZCSN-UHFFFAOYSA-N 0 0 449.601 6.770 50 0 IKAARN CCC(=O)Nc1ccc(-c2csc(NC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1 ZINC000013110034 556463888 /nfs/dbraw/zinc/46/38/88/556463888.db2.gz LFIBLICFYPPTAP-UHFFFAOYSA-N 0 0 432.505 5.374 50 0 IKAARN Cc1csc(N(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc2)n1 ZINC000013109963 556463901 /nfs/dbraw/zinc/46/39/01/556463901.db2.gz PTZANMNZIDQKIL-UHFFFAOYSA-N 0 0 447.589 5.367 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2csc(C(C)=O)c2)C1 ZINC000014961678 556464214 /nfs/dbraw/zinc/46/42/14/556464214.db2.gz IUPMNYKUWNJGIX-INIZCTEOSA-N 0 0 434.989 5.244 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013110144 556464216 /nfs/dbraw/zinc/46/42/16/556464216.db2.gz XZZJULANCWEHBU-UHFFFAOYSA-N 0 0 429.545 6.007 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc32)c(C)c1 ZINC000013110162 556464305 /nfs/dbraw/zinc/46/43/05/556464305.db2.gz UIHPHCYLOATUBE-UHFFFAOYSA-N 0 0 434.540 5.498 50 0 IKAARN Cc1ccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@H]2CCCO2)s1 ZINC000014962645 556464671 /nfs/dbraw/zinc/46/46/71/556464671.db2.gz FRQQFBDRLNPKLF-HXUWFJFHSA-N 0 0 442.654 5.060 50 0 IKAARN Cc1ccc(N(C(=O)CCNC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1C ZINC000013112424 556464869 /nfs/dbraw/zinc/46/48/69/556464869.db2.gz ZLJWDMBQEDTBFL-UHFFFAOYSA-N 0 0 444.560 5.790 50 0 IKAARN C[C@H](Cc1cccs1)NC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000014964806 556465355 /nfs/dbraw/zinc/46/53/55/556465355.db2.gz LPUYXFSZSBRGIR-HRFSGMKKSA-N 0 0 446.616 5.134 50 0 IKAARN Cc1sc2[nH]c([C@H](C)Sc3nc(C(F)(F)F)nc4ccccc43)nc(=O)c2c1C ZINC000013112695 556465542 /nfs/dbraw/zinc/46/55/42/556465542.db2.gz JEKOSJBSXUFILN-JTQLQIEISA-N 0 0 436.484 5.417 50 0 IKAARN Cc1nc(CSc2ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccccc3)cc2)cs1 ZINC000029009315 556465586 /nfs/dbraw/zinc/46/55/86/556465586.db2.gz BCNYBWQNBLDWDW-HZPDHXFCSA-N 0 0 440.590 5.167 50 0 IKAARN Cc1nc(CSc2ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)cc2)cs1 ZINC000029009328 556465647 /nfs/dbraw/zinc/46/56/47/556465647.db2.gz BCNYBWQNBLDWDW-HOTGVXAUSA-N 0 0 440.590 5.167 50 0 IKAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013113049 556466108 /nfs/dbraw/zinc/46/61/08/556466108.db2.gz REQNZIJYUJRAOS-JTQLQIEISA-N 0 0 426.851 5.263 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000013113116 556466235 /nfs/dbraw/zinc/46/62/35/556466235.db2.gz KROJZHJELHQQEU-CABCVRRESA-N 0 0 433.499 5.267 50 0 IKAARN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000013114287 556466434 /nfs/dbraw/zinc/46/64/34/556466434.db2.gz UJLGMCDKMDKHLX-SFHVURJKSA-N 0 0 449.551 5.405 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013114509 556466665 /nfs/dbraw/zinc/46/66/65/556466665.db2.gz ZQYKLENGNPYRAR-ZHRRBRCNSA-N 0 0 442.540 5.584 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)c(C(C)(C)CC)c1 ZINC000013114320 556466740 /nfs/dbraw/zinc/46/67/40/556466740.db2.gz PBXLZJXOEROCMV-UHFFFAOYSA-N 0 0 438.612 5.958 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1ccc2c(c1)OCO2 ZINC000013114663 556467015 /nfs/dbraw/zinc/46/70/15/556467015.db2.gz VMRBOYWOHRFWHU-UHFFFAOYSA-N 0 0 444.512 5.146 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013114683 556467051 /nfs/dbraw/zinc/46/70/51/556467051.db2.gz SZTAAXIJTVOUTL-MRXNPFEDSA-N 0 0 443.528 5.187 50 0 IKAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000013114648 556467068 /nfs/dbraw/zinc/46/70/68/556467068.db2.gz PLHBSUKABUOQHT-UHFFFAOYSA-N 0 0 438.534 5.021 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013114684 556467151 /nfs/dbraw/zinc/46/71/51/556467151.db2.gz SZTAAXIJTVOUTL-INIZCTEOSA-N 0 0 443.528 5.187 50 0 IKAARN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)s1 ZINC000014974132 556467776 /nfs/dbraw/zinc/46/77/76/556467776.db2.gz YUTIXVXZQIQWGY-UHFFFAOYSA-N 0 0 430.411 5.523 50 0 investigational IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 ZINC000013115916 556468577 /nfs/dbraw/zinc/46/85/77/556468577.db2.gz ORRRXXXJJBWJMT-INIZCTEOSA-N 0 0 449.507 5.747 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)Cc2nc3c4ccccc4oc3c(=O)[nH]2)s1 ZINC000029188224 556469644 /nfs/dbraw/zinc/46/96/44/556469644.db2.gz WJEXZJOYFSNTEG-UHFFFAOYSA-N 0 0 429.545 5.284 50 0 IKAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000014979201 556469919 /nfs/dbraw/zinc/46/99/19/556469919.db2.gz OHRJDTRHYGERON-QFIPXVFZSA-N 0 0 434.458 5.125 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029193437 556470054 /nfs/dbraw/zinc/47/00/54/556470054.db2.gz DQIOIFGZMIPJCS-QHCPKHFHSA-N 0 0 435.527 5.622 50 0 IKAARN COc1ccc([C@@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccccc2)cc1 ZINC000013117517 556470164 /nfs/dbraw/zinc/47/01/64/556470164.db2.gz MKYDRZHCVKEDQX-DEOSSOPVSA-N 0 0 442.540 5.528 50 0 IKAARN CC(C)(C)NC(=O)CC1(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CCCC1 ZINC000029222924 556470182 /nfs/dbraw/zinc/47/01/82/556470182.db2.gz XXMNHHPCMAPFJX-UHFFFAOYSA-N 0 0 436.556 5.134 50 0 IKAARN CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000014980636 556470541 /nfs/dbraw/zinc/47/05/41/556470541.db2.gz GLBPUPARYOEGOP-UHFFFAOYSA-N 0 0 445.569 5.876 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3sc4cc(F)ccc4c3Cl)n2)c(OC)c1 ZINC000029256055 556470839 /nfs/dbraw/zinc/47/08/39/556470839.db2.gz YSFASKVPTKPNMD-UHFFFAOYSA-N 0 0 448.928 6.087 50 0 IKAARN COc1ccccc1-c1nnc(SCCCC(=O)c2ccc(Br)cc2)o1 ZINC000013118001 556471030 /nfs/dbraw/zinc/47/10/30/556471030.db2.gz MMUQJCZUNIEOJN-UHFFFAOYSA-N 0 0 433.327 5.263 50 0 IKAARN CN(C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@@H]1CCCc2ccccc21 ZINC000029258967 556471332 /nfs/dbraw/zinc/47/13/32/556471332.db2.gz YUYQQPCGCDAPCI-IEBWSBKVSA-N 0 0 434.483 5.044 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1)c1ccco1 ZINC000029280197 556471544 /nfs/dbraw/zinc/47/15/44/556471544.db2.gz GIIGSPPNWBUWTM-HSZRJFAPSA-N 0 0 428.513 5.381 50 0 IKAARN CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3CC)c3ccccc3)c[nH]c21 ZINC000013119934 556471960 /nfs/dbraw/zinc/47/19/60/556471960.db2.gz DSQXDTCMPMXODV-HSZRJFAPSA-N 0 0 430.577 5.935 50 0 IKAARN Cn1c2ccccc2nc1SCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000013120115 556472067 /nfs/dbraw/zinc/47/20/67/556472067.db2.gz YPERPJFQSOYUCQ-UHFFFAOYSA-N 0 0 448.617 5.234 50 0 IKAARN Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000014985720 556472548 /nfs/dbraw/zinc/47/25/48/556472548.db2.gz AFASECDMYGMMLO-KRWDZBQOSA-N 0 0 430.980 5.280 50 0 IKAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCCCC2)cc1 ZINC000013120767 556472881 /nfs/dbraw/zinc/47/28/81/556472881.db2.gz REVBRUFGJLLGBA-QFIPXVFZSA-N 0 0 434.609 5.452 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)o1 ZINC000029357484 556473378 /nfs/dbraw/zinc/47/33/78/556473378.db2.gz QJSGRVYKHBCDDI-GOSISDBHSA-N 0 0 443.575 5.027 50 0 IKAARN CC[C@@H](C)c1ccc([C@@H](NC(=O)c2nn(C)c(=O)c3ccccc32)c2cccs2)cc1 ZINC000013121285 556473859 /nfs/dbraw/zinc/47/38/59/556473859.db2.gz AIPRZFGKVNCZKX-OPAMFIHVSA-N 0 0 431.561 5.028 50 0 IKAARN CC[C@H](C)c1ccc([C@H](NC(=O)c2nn(C)c(=O)c3ccccc32)c2cccs2)cc1 ZINC000013121287 556473877 /nfs/dbraw/zinc/47/38/77/556473877.db2.gz AIPRZFGKVNCZKX-AOMKIAJQSA-N 0 0 431.561 5.028 50 0 IKAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000029380977 556474047 /nfs/dbraw/zinc/47/40/47/556474047.db2.gz ADBDILSRQPDSNI-GOSISDBHSA-N 0 0 432.014 5.544 50 0 IKAARN O=C(NCCc1nc2ccccc2n1C(F)F)c1ccc(-c2nc3ccccc3s2)o1 ZINC000072283654 556474335 /nfs/dbraw/zinc/47/43/35/556474335.db2.gz SJXDWUILKRMFEV-UHFFFAOYSA-N 0 0 438.459 5.274 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000013121502 556474493 /nfs/dbraw/zinc/47/44/93/556474493.db2.gz SKTVILACXZIQSU-RUZDIDTESA-N 0 0 442.540 5.285 50 0 IKAARN CCN(CC)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000072284692 556475381 /nfs/dbraw/zinc/47/53/81/556475381.db2.gz RBMVZSFJPPPQDV-IBGZPJMESA-N 0 0 441.881 5.339 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)[C@@H](C)S(C)(=O)=O)cc2F)cc1 ZINC000072285146 556475665 /nfs/dbraw/zinc/47/56/65/556475665.db2.gz ZEMVITPHVBFUKN-HZPDHXFCSA-N 0 0 437.602 5.053 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000013127127 556475670 /nfs/dbraw/zinc/47/56/70/556475670.db2.gz VOXLOEPNIDDLEV-QGZVFWFLSA-N 0 0 444.560 5.194 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000029465633 556475742 /nfs/dbraw/zinc/47/57/42/556475742.db2.gz XFGMGUVDHYIOJO-UHFFFAOYSA-N 0 0 445.588 6.011 50 0 IKAARN COc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1F ZINC000013127076 556475795 /nfs/dbraw/zinc/47/57/95/556475795.db2.gz YMQBDIROHGGTAR-UHFFFAOYSA-N 0 0 435.524 5.080 50 0 IKAARN CS(=O)(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000029478819 556476175 /nfs/dbraw/zinc/47/61/75/556476175.db2.gz MVWHYDWGXJWZFO-UHFFFAOYSA-N 0 0 434.542 5.133 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c1 ZINC000013127717 556476343 /nfs/dbraw/zinc/47/63/43/556476343.db2.gz BBMONSJWZMLHRB-QFIPXVFZSA-N 0 0 438.549 5.025 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000013127680 556476464 /nfs/dbraw/zinc/47/64/64/556476464.db2.gz XIBHUKMMNDQESO-DEOSSOPVSA-N 0 0 432.568 5.054 50 0 IKAARN C[C@H](Oc1ccccc1F)c1nnc(SCCOc2ccc(Br)cc2)o1 ZINC000013127904 556476804 /nfs/dbraw/zinc/47/68/04/556476804.db2.gz OWMAFKXTKHJMQP-LBPRGKRZSA-N 0 0 439.306 5.282 50 0 IKAARN O=c1oc2cc(Br)ccc2n1CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000029500684 556476869 /nfs/dbraw/zinc/47/68/69/556476869.db2.gz NCXRWTNWMJJOFC-INIZCTEOSA-N 0 0 444.354 5.151 50 0 IKAARN O=c1oc2cc(Br)ccc2n1CN1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000029500682 556476974 /nfs/dbraw/zinc/47/69/74/556476974.db2.gz NCXRWTNWMJJOFC-MRXNPFEDSA-N 0 0 444.354 5.151 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2Cc2csc(N(C(C)=O)c3ccccc3)n2)c1 ZINC000013128141 556477115 /nfs/dbraw/zinc/47/71/15/556477115.db2.gz YZXPUSDOBKGJLB-JOCHJYFZSA-N 0 0 437.565 5.182 50 0 IKAARN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000072285475 556477198 /nfs/dbraw/zinc/47/71/98/556477198.db2.gz UCUDLEVPXNFKND-LOSJGSFVSA-N 0 0 431.580 5.077 50 0 IKAARN COc1cccc(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)c1OC ZINC000014995072 556477259 /nfs/dbraw/zinc/47/72/59/556477259.db2.gz WEEOOBITKGIPDY-UHFFFAOYSA-N 0 0 426.567 5.054 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3nnsc3Cl)n2Cc2ccco2)cc1 ZINC000013128521 556477790 /nfs/dbraw/zinc/47/77/90/556477790.db2.gz ZYLCLGFJFYHQQL-UHFFFAOYSA-N 0 0 446.001 5.681 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)cs2)cc1 ZINC000013128712 556478184 /nfs/dbraw/zinc/47/81/84/556478184.db2.gz SWKYGCDKKPGNTO-AWEZNQCLSA-N 0 0 425.004 5.198 50 0 IKAARN Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(Cc2ccsc2)n1 ZINC000014997350 556478229 /nfs/dbraw/zinc/47/82/29/556478229.db2.gz JCOFKIUFVNIQJL-UHFFFAOYSA-N 0 0 432.578 5.427 50 0 IKAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000013129084 556478863 /nfs/dbraw/zinc/47/88/63/556478863.db2.gz OTXXFAVHZQSSKC-UHFFFAOYSA-N 0 0 428.410 5.501 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1cccnc1 ZINC000029619636 556478954 /nfs/dbraw/zinc/47/89/54/556478954.db2.gz SEAUDIUNRFUHNW-UHFFFAOYSA-N 0 0 427.451 5.151 50 0 IKAARN CN(Cc1ccncc1)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000072286793 556479003 /nfs/dbraw/zinc/47/90/03/556479003.db2.gz ZVZXHFOLNUCWPF-UHFFFAOYSA-N 0 0 437.499 5.398 50 0 IKAARN O=C(OCc1cccc(COC(=O)c2ccc3ccccc3n2)c1)c1ccc2ccccc2n1 ZINC000013129544 556479147 /nfs/dbraw/zinc/47/91/47/556479147.db2.gz LUQDQMIGVYWVRK-UHFFFAOYSA-N 0 0 448.478 5.497 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3nc(-c4cc(C)c(C)cc4C)cs3)c2cc1C(C)C ZINC000013129601 556479553 /nfs/dbraw/zinc/47/95/53/556479553.db2.gz LXKVHEYWNTVMJW-UHFFFAOYSA-N 0 0 432.589 7.095 50 0 IKAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000013130468 556479843 /nfs/dbraw/zinc/47/98/43/556479843.db2.gz OKFOELQQEHPPBG-DEOSSOPVSA-N 0 0 441.600 5.662 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CSc1ccccc1)CC2 ZINC000029701142 556480096 /nfs/dbraw/zinc/48/00/96/556480096.db2.gz PBAJSDZCLXJSOX-QHCPKHFHSA-N 0 0 425.575 5.032 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CSc1ccccc1)CC2 ZINC000029701137 556480260 /nfs/dbraw/zinc/48/02/60/556480260.db2.gz PBAJSDZCLXJSOX-HSZRJFAPSA-N 0 0 425.575 5.032 50 0 IKAARN Cc1c(C(=O)N(C)CCc2ccccn2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000015003511 556480921 /nfs/dbraw/zinc/48/09/21/556480921.db2.gz ZMAUWMFOSJMETJ-UHFFFAOYSA-N 0 0 435.597 5.012 50 0 IKAARN Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000013132410 556481035 /nfs/dbraw/zinc/48/10/35/556481035.db2.gz ODXMXNAZUSNTCA-LAUBAEHRSA-N 0 0 429.586 5.533 50 0 IKAARN Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000013132407 556481048 /nfs/dbraw/zinc/48/10/48/556481048.db2.gz ODXMXNAZUSNTCA-UTKZUKDTSA-N 0 0 429.586 5.533 50 0 IKAARN O=C(Nc1cc(F)ccc1F)c1ccccc1Sc1ncnc2sc3c(c21)CCC3 ZINC000015004717 556481217 /nfs/dbraw/zinc/48/12/17/556481217.db2.gz STPPHZWWMZBEQN-UHFFFAOYSA-N 0 0 439.512 5.862 50 0 IKAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(-c4ccco4)no3)nnc2N2CCCCC2)cc1 ZINC000029740094 556481263 /nfs/dbraw/zinc/48/12/63/556481263.db2.gz QAZKIQIDPQUKQV-INIZCTEOSA-N 0 0 436.541 5.062 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013133834 556481358 /nfs/dbraw/zinc/48/13/58/556481358.db2.gz GEBKAFQGNQYEQF-QFIPXVFZSA-N 0 0 449.403 5.145 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013133833 556481384 /nfs/dbraw/zinc/48/13/84/556481384.db2.gz GEBKAFQGNQYEQF-JOCHJYFZSA-N 0 0 449.403 5.145 50 0 IKAARN Clc1ccc2c(c1)nc(SCc1ccc(Br)cc1)n2Cc1ccccc1 ZINC000013134082 556481785 /nfs/dbraw/zinc/48/17/85/556481785.db2.gz WBVXZMAXTNCGPX-UHFFFAOYSA-N 0 0 443.797 6.793 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2C)c1 ZINC000013134134 556481985 /nfs/dbraw/zinc/48/19/85/556481985.db2.gz SRAXQFGHIYQHKX-UHFFFAOYSA-N 0 0 446.532 5.014 50 0 IKAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc12 ZINC000013134483 556482640 /nfs/dbraw/zinc/48/26/40/556482640.db2.gz PCTNCTYNURPRRR-UHFFFAOYSA-N 0 0 448.548 5.969 50 0 IKAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(F)cc3Cl)nc2n1 ZINC000015009878 556482873 /nfs/dbraw/zinc/48/28/73/556482873.db2.gz VDEGGEITLCGLFP-UHFFFAOYSA-N 0 0 441.919 5.078 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)c3cc4ccccc4o3)n2-c2ccc(C)cc2)cc1 ZINC000013134972 556482854 /nfs/dbraw/zinc/48/28/54/556482854.db2.gz ATHVHNARLVCKMA-UHFFFAOYSA-N 0 0 439.540 6.272 50 0 IKAARN O=C(Nc1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1Cl)c1cccs1 ZINC000013134885 556482975 /nfs/dbraw/zinc/48/29/75/556482975.db2.gz SXMHPEPRKDCJSQ-UHFFFAOYSA-N 0 0 446.959 6.497 50 0 IKAARN CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000015010811 556483191 /nfs/dbraw/zinc/48/31/91/556483191.db2.gz NGQVSHRMCCHNPB-WQRHYEAKSA-N 0 0 435.904 5.513 50 0 IKAARN CC(=O)Nc1ccc(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000013137238 556484029 /nfs/dbraw/zinc/48/40/29/556484029.db2.gz YHJZMSMABOHELM-UHFFFAOYSA-N 0 0 441.965 5.556 50 0 IKAARN CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@H]1CC1(Cl)Cl ZINC000013137919 556484763 /nfs/dbraw/zinc/48/47/63/556484763.db2.gz HWRWUYBUEWRLEC-GFCCVEGCSA-N 0 0 434.820 6.158 50 0 IKAARN Cc1cc(C(=O)COc2ccccc2-c2ccccc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013138353 556485365 /nfs/dbraw/zinc/48/53/65/556485365.db2.gz CGYYCPGTMRVGLL-UHFFFAOYSA-N 0 0 439.511 5.811 50 0 IKAARN COc1cc(Cl)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000015016304 556485565 /nfs/dbraw/zinc/48/55/65/556485565.db2.gz FJAONGRPFCIEFY-VGSWGCGISA-N 0 0 426.925 5.661 50 0 IKAARN COc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)c(OC)c1OC ZINC000015016670 556485760 /nfs/dbraw/zinc/48/57/60/556485760.db2.gz YHUIHDBVDMRDGX-UHFFFAOYSA-N 0 0 440.543 5.876 50 0 IKAARN CCOc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)ccc1OCc1ccccc1 ZINC000015016710 556486232 /nfs/dbraw/zinc/48/62/32/556486232.db2.gz ROMWZMHATIXYTA-NTCAYCPXSA-N 0 0 439.511 6.308 50 0 IKAARN COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)ccc1OCc1ccccc1 ZINC000015016696 556486248 /nfs/dbraw/zinc/48/62/48/556486248.db2.gz MXQFJYYTFWOMEO-SDNWHVSQSA-N 0 0 425.484 5.918 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000013141107 556486338 /nfs/dbraw/zinc/48/63/38/556486338.db2.gz QOCHHSOGCDJDKP-UHFFFAOYSA-N 0 0 426.545 5.351 50 0 IKAARN CCOc1c(Br)cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1OC ZINC000015017426 556486432 /nfs/dbraw/zinc/48/64/32/556486432.db2.gz FXGRUGYLXNKCAH-JHVJFLLYSA-N 0 0 432.358 5.799 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c(C)n1C[C@H]1CCCO1 ZINC000013141835 556487099 /nfs/dbraw/zinc/48/70/99/556487099.db2.gz YYHFTUOOYDGLTC-OAQYLSRUSA-N 0 0 433.504 5.116 50 0 IKAARN COc1ccc2c(COC(=O)c3cc(-c4cccs4)nc4ccccc43)cc(=O)oc2c1 ZINC000013141996 556487184 /nfs/dbraw/zinc/48/71/84/556487184.db2.gz NXWUMINLYGRJNN-UHFFFAOYSA-N 0 0 443.480 5.435 50 0 IKAARN COc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)ccc1OC(F)F ZINC000072291474 556487394 /nfs/dbraw/zinc/48/73/94/556487394.db2.gz QJVKKHLYIAYURD-UHFFFAOYSA-N 0 0 438.474 5.354 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(C)n1C[C@H]1CCCO1 ZINC000013145438 556487603 /nfs/dbraw/zinc/48/76/03/556487603.db2.gz GLECJEMZBXEGOZ-HSZRJFAPSA-N 0 0 433.504 5.116 50 0 IKAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1coc(-c2ccc(C)cc2C)n1 ZINC000029973354 556487662 /nfs/dbraw/zinc/48/76/62/556487662.db2.gz PDCCNOOSAOBSKG-UHFFFAOYSA-N 0 0 431.458 5.226 50 0 IKAARN CCCCCOc1ccc(NC(=O)COc2ccc(C)cc2-n2nc3ccccc3n2)cc1 ZINC000015022188 556488235 /nfs/dbraw/zinc/48/82/35/556488235.db2.gz IQYPKBBTAFTDNQ-UHFFFAOYSA-N 0 0 444.535 5.315 50 0 IKAARN CCCn1c(C)cc(-c2csc(NC(=O)CCNC(=O)c3ccccc3Cl)n2)c1C ZINC000013147549 556488707 /nfs/dbraw/zinc/48/87/07/556488707.db2.gz MMLCJQPKJXHMKC-UHFFFAOYSA-N 0 0 444.988 5.050 50 0 IKAARN c1ccc(CN2CCO[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)C2)cc1 ZINC000013147636 556488718 /nfs/dbraw/zinc/48/87/18/556488718.db2.gz KVZVOUHFCUUYSL-XMMPIXPASA-N 0 0 441.600 5.737 50 0 IKAARN C[C@H](Sc1ncc(-c2ccccc2)n1Cc1ccco1)c1nc2ccccc2c(=O)[nH]1 ZINC000032876434 556488729 /nfs/dbraw/zinc/48/87/29/556488729.db2.gz ZWOOXTISLBSIRJ-INIZCTEOSA-N 0 0 428.517 5.281 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c1 ZINC000013146531 556488796 /nfs/dbraw/zinc/48/87/96/556488796.db2.gz JVYWYWMNHYEULR-UHFFFAOYSA-N 0 0 444.556 5.988 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000013147645 556489051 /nfs/dbraw/zinc/48/90/51/556489051.db2.gz DHMSDCVDGNDKPC-UHFFFAOYSA-N 0 0 441.556 5.929 50 0 IKAARN CC(C)c1ccccc1N(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000013147839 556489064 /nfs/dbraw/zinc/48/90/64/556489064.db2.gz FEVOVCBFGNSTQJ-QFIPXVFZSA-N 0 0 430.529 5.924 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1SC[C@@H]1CCCO1 ZINC000030013282 556489209 /nfs/dbraw/zinc/48/92/09/556489209.db2.gz AZLIDYZXWDAKEH-IBGZPJMESA-N 0 0 447.604 5.749 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cc(F)ccc1Br ZINC000030013236 556489285 /nfs/dbraw/zinc/48/92/85/556489285.db2.gz FGFHMIDMOPOVGG-UHFFFAOYSA-N 0 0 428.305 5.379 50 0 IKAARN COc1cc(CN(CC(=O)Nc2cccc(Cl)c2Cl)C2CC2)ccc1OC(F)F ZINC000015036259 556489535 /nfs/dbraw/zinc/48/95/35/556489535.db2.gz DTVBFXZSEMPZLN-UHFFFAOYSA-N 0 0 445.293 5.207 50 0 IKAARN CN1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@H](c2ccccc2)C1 ZINC000030030389 556489989 /nfs/dbraw/zinc/48/99/89/556489989.db2.gz JMLHZWJXPNEONG-NRFANRHFSA-N 0 0 441.453 5.022 50 0 IKAARN COc1cc2c(cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1)oc1ccccc12 ZINC000013148548 556490023 /nfs/dbraw/zinc/49/00/23/556490023.db2.gz ONBUOSFFLYQXMR-UHFFFAOYSA-N 0 0 443.377 5.409 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)c2oc1-c1ccccc1 ZINC000015057363 556490129 /nfs/dbraw/zinc/49/01/29/556490129.db2.gz UBSAKRDGQMZLPU-MRXNPFEDSA-N 0 0 430.431 5.336 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c2oc1-c1ccccc1 ZINC000015057366 556490163 /nfs/dbraw/zinc/49/01/63/556490163.db2.gz UBSAKRDGQMZLPU-INIZCTEOSA-N 0 0 430.431 5.336 50 0 IKAARN C[C@@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc(Cl)cc1 ZINC000013148933 556490355 /nfs/dbraw/zinc/49/03/55/556490355.db2.gz QZHLFIUEMJNFIX-LLVKDONJSA-N 0 0 439.990 5.425 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(Br)c3)c2n1 ZINC000013149146 556490788 /nfs/dbraw/zinc/49/07/88/556490788.db2.gz RUQWMHSJMPJYQI-UHFFFAOYSA-N 0 0 440.124 5.630 50 0 IKAARN CCN(CC)C(=O)CCCSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC000013149742 556491501 /nfs/dbraw/zinc/49/15/01/556491501.db2.gz CNIDIMZOYUJRCV-UHFFFAOYSA-N 0 0 444.004 5.032 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1)Nc1ccccc1 ZINC000013150006 556492060 /nfs/dbraw/zinc/49/20/60/556492060.db2.gz VQPXBCOGCVBFIY-DYTRJAOYSA-N 0 0 448.522 5.907 50 0 IKAARN CCOc1ccc(-c2nc(CSc3n[nH]c(-c4ccc(C)cc4)n3)cs2)cc1OC ZINC000013149999 556492070 /nfs/dbraw/zinc/49/20/70/556492070.db2.gz QRRTYRXIUVNWRK-UHFFFAOYSA-N 0 0 438.578 5.603 50 0 IKAARN O=S(=O)(NC[C@@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccccc1 ZINC000013150218 556492249 /nfs/dbraw/zinc/49/22/49/556492249.db2.gz JFODNCYASWUYJD-HXUWFJFHSA-N 0 0 426.588 5.108 50 0 IKAARN Clc1ccc(CCN2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)c(Cl)c1 ZINC000013150357 556492323 /nfs/dbraw/zinc/49/23/23/556492323.db2.gz RRURDCVEFOSRFW-UHFFFAOYSA-N 0 0 437.374 5.823 50 0 IKAARN C[C@H](c1ccccn1)N(C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000015065565 556492538 /nfs/dbraw/zinc/49/25/38/556492538.db2.gz VFWLUPCQCQDNTK-CYBMUJFWSA-N 0 0 430.455 5.310 50 0 IKAARN Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000015067376 556493382 /nfs/dbraw/zinc/49/33/82/556493382.db2.gz WUVLWZSMCKNNJN-NRFANRHFSA-N 0 0 426.442 5.671 50 0 IKAARN Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000015067374 556493421 /nfs/dbraw/zinc/49/34/21/556493421.db2.gz WUVLWZSMCKNNJN-OAQYLSRUSA-N 0 0 426.442 5.671 50 0 IKAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013163407 556493774 /nfs/dbraw/zinc/49/37/74/556493774.db2.gz RKHKNTVYUQHUNN-QGZVFWFLSA-N 0 0 435.574 5.352 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000013163833 556494736 /nfs/dbraw/zinc/49/47/36/556494736.db2.gz ICPPGIRBMYLCDP-HXUWFJFHSA-N 0 0 438.527 5.657 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000013163925 556495081 /nfs/dbraw/zinc/49/50/81/556495081.db2.gz HZMKDPZQOBVFMG-SANMLTNESA-N 0 0 442.588 5.137 50 0 IKAARN CN(Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)CC1CCCCC1 ZINC000015070784 556495715 /nfs/dbraw/zinc/49/57/15/556495715.db2.gz AHMJYMHXVNLHPM-UHFFFAOYSA-N 0 0 442.032 5.620 50 0 IKAARN Cc1sc2ncnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)c2c1C ZINC000013164256 556496086 /nfs/dbraw/zinc/49/60/86/556496086.db2.gz DYDOLDRNIFSJCN-GFCCVEGCSA-N 0 0 428.608 5.230 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000015072304 556496684 /nfs/dbraw/zinc/49/66/84/556496684.db2.gz SDHFESDREQRGMW-HSZRJFAPSA-N 0 0 442.538 5.083 50 0 IKAARN O=C(/C=C/c1ccccc1)N1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000015072470 556497118 /nfs/dbraw/zinc/49/71/18/556497118.db2.gz FUNFNTDYVIEHDF-AAJFVQQISA-N 0 0 446.554 5.625 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 ZINC000013164864 556497258 /nfs/dbraw/zinc/49/72/58/556497258.db2.gz CHOQQDKXRNSWMO-DEOSSOPVSA-N 0 0 442.588 5.495 50 0 IKAARN COc1ccccc1OC1CCN(Cc2nc(-c3cccc4ccccc43)oc2C)CC1 ZINC000015073240 556497338 /nfs/dbraw/zinc/49/73/38/556497338.db2.gz GLEBJNVTAZHAQN-UHFFFAOYSA-N 0 0 428.532 5.855 50 0 IKAARN O[C@H](c1cccs1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000015075156 556498833 /nfs/dbraw/zinc/49/88/33/556498833.db2.gz AFGTVLYILURSCZ-VWLOTQADSA-N 0 0 445.588 5.257 50 0 IKAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccnc3ccc(C)cc32)CC1 ZINC000015076089 556499117 /nfs/dbraw/zinc/49/91/17/556499117.db2.gz PICLGZXIKUUXGL-UHFFFAOYSA-N 0 0 444.575 5.352 50 0 IKAARN Cc1ccc(F)cc1NC(=O)c1ccccc1Sc1ncnc2sc3c(c21)CCC3 ZINC000015077955 556500006 /nfs/dbraw/zinc/50/00/06/556500006.db2.gz RBYHCSGOAKLZTM-UHFFFAOYSA-N 0 0 435.549 6.031 50 0 IKAARN CCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000013228261 556500295 /nfs/dbraw/zinc/50/02/95/556500295.db2.gz YSZURUXFNOCLFR-UHFFFAOYSA-N 0 0 429.655 6.887 50 0 IKAARN CC(C)(C)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1F ZINC000004417471 556501085 /nfs/dbraw/zinc/50/10/85/556501085.db2.gz CIIDUEWHQSPZIA-UHFFFAOYSA-N 0 0 431.495 6.240 50 0 IKAARN O=C1N(Cc2ccccc2Cl)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000015081773 556501291 /nfs/dbraw/zinc/50/12/91/556501291.db2.gz FCJLJPJZSUKSQX-UHFFFAOYSA-N 0 0 441.914 5.632 50 0 IKAARN CC(C)CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000013282012 556501432 /nfs/dbraw/zinc/50/14/32/556501432.db2.gz UCOQBLQYAUMNNI-UHFFFAOYSA-N 0 0 429.655 6.428 50 0 IKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccc(OC(F)F)cc2)N1 ZINC000013305942 556502364 /nfs/dbraw/zinc/50/23/64/556502364.db2.gz GWHTZLLNCYPMNP-NRFANRHFSA-N 0 0 449.482 5.820 50 0 IKAARN COc1cccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)c1OC ZINC000013305952 556502378 /nfs/dbraw/zinc/50/23/78/556502378.db2.gz NUQHSPZVZCBSDR-JOCHJYFZSA-N 0 0 443.528 5.236 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000013306970 556502395 /nfs/dbraw/zinc/50/23/95/556502395.db2.gz IFRMSTLSNACFMZ-XTEPFMGCSA-N 0 0 436.942 7.249 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000013306974 556502437 /nfs/dbraw/zinc/50/24/37/556502437.db2.gz IFRMSTLSNACFMZ-IXCJQBJRSA-N 0 0 436.942 7.249 50 0 IKAARN CCc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000013365548 556503006 /nfs/dbraw/zinc/50/30/06/556503006.db2.gz QRNMYVVVMLJWMM-OAQYLSRUSA-N 0 0 432.911 5.864 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCC(=O)c1ccc(Br)cc1 ZINC000015094291 556503187 /nfs/dbraw/zinc/50/31/87/556503187.db2.gz HXGMUVNPRRIFGT-CYBMUJFWSA-N 0 0 431.355 5.241 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013381991 556503707 /nfs/dbraw/zinc/50/37/07/556503707.db2.gz MIPNVFAJZXAGSV-OFNKIYASSA-N 0 0 435.321 5.700 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000015106652 556504177 /nfs/dbraw/zinc/50/41/77/556504177.db2.gz IXCAEBVTZCUMFI-INIZCTEOSA-N 0 0 430.451 5.802 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000015106655 556504254 /nfs/dbraw/zinc/50/42/54/556504254.db2.gz IXCAEBVTZCUMFI-MRXNPFEDSA-N 0 0 430.451 5.802 50 0 IKAARN CN(c1ccccc1)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CCOc2ccccc2)cc1 ZINC000015108801 556504452 /nfs/dbraw/zinc/50/44/52/556504452.db2.gz TUURELSYQGTWMG-MUUNZHRXSA-N 0 0 449.554 6.100 50 0 IKAARN C[C@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)COc1ccc(Cl)cc1Cl ZINC000015108375 556504477 /nfs/dbraw/zinc/50/44/77/556504477.db2.gz JMWYXUYPYJVXCZ-CQSZACIVSA-N 0 0 428.315 6.019 50 0 IKAARN Cc1cc(C2=Nc3ccccc3S[C@H](c3c(Cl)cccc3Cl)C2)ccc1Cl ZINC000013463946 556506453 /nfs/dbraw/zinc/50/64/53/556506453.db2.gz UUUKLHXXGLJXDT-NRFANRHFSA-N 0 0 432.803 8.313 50 0 IKAARN O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@@H]2c1ccc(Br)cc1 ZINC000013465808 556507137 /nfs/dbraw/zinc/50/71/37/556507137.db2.gz MTEKCYFPTIQGPF-UEVCKROQSA-N 0 0 433.305 5.754 50 0 IKAARN C[C@@H](Cc1ccccc1)NC(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000030831796 556507096 /nfs/dbraw/zinc/50/70/96/556507096.db2.gz SYAXRXDEJAXYRW-KRWDZBQOSA-N 0 0 447.991 5.790 50 0 IKAARN Cc1sc2ncnc(Oc3ccc(N(C)S(=O)(=O)c4ccccc4F)cc3)c2c1C ZINC000015163443 556507153 /nfs/dbraw/zinc/50/71/53/556507153.db2.gz IPUGZMHRHMBTRM-UHFFFAOYSA-N 0 0 443.525 5.065 50 0 IKAARN C[C@H](Cc1ccccc1)NC(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000030831798 556507220 /nfs/dbraw/zinc/50/72/20/556507220.db2.gz SYAXRXDEJAXYRW-QGZVFWFLSA-N 0 0 447.991 5.790 50 0 IKAARN O=C(NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)cc1 ZINC000030836262 556507434 /nfs/dbraw/zinc/50/74/34/556507434.db2.gz LTCMLDNQCALLJA-UHFFFAOYSA-N 0 0 425.109 5.946 50 0 IKAARN O=C(Nc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1)c1cccs1 ZINC000032880020 556507941 /nfs/dbraw/zinc/50/79/41/556507941.db2.gz AJBPKLAPSXNCAT-UHFFFAOYSA-N 0 0 428.916 5.598 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Oc3ccccc3)c1)C1c3ccccc3C2c2ccccc21 ZINC000013475777 556507968 /nfs/dbraw/zinc/50/79/68/556507968.db2.gz FATARFJJBKFUSF-SALAOISXSA-N 0 0 443.502 5.876 50 0 IKAARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C)cc1 ZINC000004422213 556508519 /nfs/dbraw/zinc/50/85/19/556508519.db2.gz JATWOAALJJDKBJ-UHFFFAOYSA-N 0 0 426.516 5.027 50 0 IKAARN O=C1NCCCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000011071475 556508680 /nfs/dbraw/zinc/50/86/80/556508680.db2.gz RZBDEMXWIVZBAW-SFHVURJKSA-N 0 0 447.391 5.061 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)N4CCCCC4)c(F)c3)cn2)cc1 ZINC000072294515 556509001 /nfs/dbraw/zinc/50/90/01/556509001.db2.gz JCBOHGIEFCJZIM-UHFFFAOYSA-N 0 0 448.498 5.592 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(CCC4CCCC4)[nH]3)cs2)cc1OC ZINC000032883971 556509845 /nfs/dbraw/zinc/50/98/45/556509845.db2.gz FQOLRDXVLVXYRY-UHFFFAOYSA-N 0 0 430.599 5.361 50 0 IKAARN CCC(C)(C)C(=O)[C@@H]1[C@@](C)(c2ccccc2)CC(c2ccccc2)=C[C@@]1(O)C(C)(C)CC ZINC000013510306 556510213 /nfs/dbraw/zinc/51/02/13/556510213.db2.gz JYXYBEIHSGHFQN-RKJPZGCHSA-N 0 0 432.648 7.220 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1 ZINC000013518275 556511493 /nfs/dbraw/zinc/51/14/93/556511493.db2.gz WCETXBKHCDKONH-HXUWFJFHSA-N 0 0 425.488 5.138 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)ccc1O ZINC000013518321 556511708 /nfs/dbraw/zinc/51/17/08/556511708.db2.gz PIJNRJUMKPFUIJ-LJQANCHMSA-N 0 0 445.906 5.381 50 0 IKAARN Cc1cc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12 ZINC000013524030 556512362 /nfs/dbraw/zinc/51/23/62/556512362.db2.gz SHGGKAQMLLHBSJ-NRFANRHFSA-N 0 0 426.585 6.253 50 0 IKAARN CC(C)n1cnnc1CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000072294579 556512416 /nfs/dbraw/zinc/51/24/16/556512416.db2.gz NVXNGZFDEYRXLK-UHFFFAOYSA-N 0 0 442.563 5.307 50 0 IKAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000015227319 556512392 /nfs/dbraw/zinc/51/23/92/556512392.db2.gz CIHZVFFCLJEGFN-LSYYVWMOSA-N 0 0 434.495 5.601 50 0 IKAARN CCCCCc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000013526081 556512445 /nfs/dbraw/zinc/51/24/45/556512445.db2.gz PCAILMSYEOCYJT-INIZCTEOSA-N 0 0 430.932 5.001 50 0 IKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3Br)cc2)nc1 ZINC000004427759 556513244 /nfs/dbraw/zinc/51/32/44/556513244.db2.gz SDYLPPWIZACWAZ-UHFFFAOYSA-N 0 0 437.381 6.805 50 0 IKAARN CCCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3)c2)cc1 ZINC000013541584 556513949 /nfs/dbraw/zinc/51/39/49/556513949.db2.gz STEJYSJJARKABS-URGPHPNLSA-N 0 0 441.571 7.445 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2F)cc1 ZINC000015274814 556513993 /nfs/dbraw/zinc/51/39/93/556513993.db2.gz KARNGQRBGMSGDO-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2F)cc1 ZINC000015274836 556514157 /nfs/dbraw/zinc/51/41/57/556514157.db2.gz FTGVAEUOVKHHMJ-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1nc2ccccc2n1C(F)F ZINC000032895244 556514965 /nfs/dbraw/zinc/51/49/65/556514965.db2.gz ZEKDWHVFYSIZCS-NSHDSACASA-N 0 0 428.266 5.164 50 0 IKAARN CC(C)[C@@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000013550783 556514935 /nfs/dbraw/zinc/51/49/35/556514935.db2.gz SGTBFGONDLTQHI-RUZDIDTESA-N 0 0 434.580 5.527 50 0 IKAARN CC1CCN(C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)NC(=O)c2ccccc2)CC1 ZINC000013551692 556515240 /nfs/dbraw/zinc/51/52/40/556515240.db2.gz FXRHLTUUXRQIGN-QJOMJCCJSA-N 0 0 448.950 5.629 50 0 IKAARN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccccc3SC(F)F)sc2C1 ZINC000030935891 556515295 /nfs/dbraw/zinc/51/52/95/556515295.db2.gz AUHODJRSYDAKAI-UHFFFAOYSA-N 0 0 441.525 5.003 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2Nc2cccc(Cl)c2)c1-c1ccc(Cl)cc1 ZINC000013554862 556515893 /nfs/dbraw/zinc/51/58/93/556515893.db2.gz GURDWWKOKOQUBG-UHFFFAOYSA-N 0 0 425.363 7.053 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CNc1ccccc1I ZINC000015289704 556516433 /nfs/dbraw/zinc/51/64/33/556516433.db2.gz RZMCEPAEHFWYKQ-UHFFFAOYSA-N 0 0 436.337 5.589 50 0 IKAARN Cc1c(Cl)cc2c(oc(=O)n2CC(=O)N(C2CCCCC2)C2CCCCC2)c1Cl ZINC000030947913 556517686 /nfs/dbraw/zinc/51/76/86/556517686.db2.gz RCCYEKSLRSXJML-UHFFFAOYSA-N 0 0 439.383 5.704 50 0 IKAARN CCc1ccc(-c2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000032718904 556517941 /nfs/dbraw/zinc/51/79/41/556517941.db2.gz CKPYRRMJKQXGNK-UHFFFAOYSA-N 0 0 434.392 5.750 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000013563251 556518279 /nfs/dbraw/zinc/51/82/79/556518279.db2.gz PZZQAYBEEYXVLQ-OXQOHEQNSA-N 0 0 433.371 5.339 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000013564192 556518305 /nfs/dbraw/zinc/51/83/05/556518305.db2.gz AWRQZCOGPCRLAZ-KNQAVFIVSA-N 0 0 427.342 5.278 50 0 IKAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073770 556518902 /nfs/dbraw/zinc/51/89/02/556518902.db2.gz GSHZXVHPQJBNJQ-HNNXBMFYSA-N 0 0 425.326 5.014 50 0 IKAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000015317951 556519161 /nfs/dbraw/zinc/51/91/61/556519161.db2.gz JVOICHMSFOUPSH-UHFFFAOYSA-N 0 0 432.376 5.189 50 0 IKAARN CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003090413 556519232 /nfs/dbraw/zinc/51/92/32/556519232.db2.gz LHKPNQMQJFEXGJ-UHFFFAOYSA-N 0 0 434.605 6.370 50 0 IKAARN O=C(NCCCCNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000003087252 556519554 /nfs/dbraw/zinc/51/95/54/556519554.db2.gz BGFXYIZEZAWEAW-UHFFFAOYSA-N 0 0 434.150 5.240 50 0 IKAARN CC[C@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CC1 ZINC000004562172 556519634 /nfs/dbraw/zinc/51/96/34/556519634.db2.gz AXQGQSSSYMMPFV-KRWDZBQOSA-N 0 0 430.589 5.009 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccc2F)CCCCC1 ZINC000003093171 556519951 /nfs/dbraw/zinc/51/99/51/556519951.db2.gz OBRDBEWEDKNNIM-UHFFFAOYSA-N 0 0 448.538 6.020 50 0 IKAARN Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)Cc1csc(C(C)C)n1 ZINC000072295963 556520443 /nfs/dbraw/zinc/52/04/43/556520443.db2.gz YUNWOIHNQIIJAN-UHFFFAOYSA-N 0 0 448.567 6.247 50 0 IKAARN CCOc1ccccc1C(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C1CC1 ZINC000072295962 556520508 /nfs/dbraw/zinc/52/05/08/556520508.db2.gz CVKIFIRYMMZASP-UHFFFAOYSA-N 0 0 429.495 6.137 50 0 IKAARN CSc1ncc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)n1-c1ccc(F)cc1 ZINC000015322294 556521000 /nfs/dbraw/zinc/52/10/00/556521000.db2.gz RWDMXBDQCBKKQD-UHFFFAOYSA-N 0 0 449.536 5.362 50 0 IKAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1-c1nc2ccccc2s1 ZINC000015322681 556521029 /nfs/dbraw/zinc/52/10/29/556521029.db2.gz DNPGIMOEVDMJIC-UHFFFAOYSA-N 0 0 429.501 5.290 50 0 IKAARN O=C(NCCCCOc1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000011080310 556521137 /nfs/dbraw/zinc/52/11/37/556521137.db2.gz OBBKWPIQPIWRBZ-UHFFFAOYSA-N 0 0 430.426 5.482 50 0 IKAARN O=C(N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003109645 556521794 /nfs/dbraw/zinc/52/17/94/556521794.db2.gz YJPUDPAXZVZCNE-AWEZNQCLSA-N 0 0 429.583 6.212 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003109493 556521814 /nfs/dbraw/zinc/52/18/14/556521814.db2.gz MBXATDCEGFNYPH-UHFFFAOYSA-N 0 0 432.770 6.647 50 0 IKAARN COc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2ccccc2OC)cc1 ZINC000013570176 556521920 /nfs/dbraw/zinc/52/19/20/556521920.db2.gz ALSOPIMPJQXBGB-NRFANRHFSA-N 0 0 425.488 5.680 50 0 IKAARN COc1ccc2c(c1)[C@H](N(Cc1nccn1Cc1ccccc1)Cc1ccccc1)CCO2 ZINC000072296468 556521894 /nfs/dbraw/zinc/52/18/94/556521894.db2.gz UZAIVJQTQBLRBO-AREMUKBSSA-N 0 0 439.559 5.466 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCc2ccccc2)cc1 ZINC000003109766 556522200 /nfs/dbraw/zinc/52/22/00/556522200.db2.gz YGLJIPDALFPTEQ-UHFFFAOYSA-N 0 0 438.936 5.748 50 0 IKAARN C[C@@H]1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2cccc(C(F)(F)F)c2)S1 ZINC000003103149 556522603 /nfs/dbraw/zinc/52/26/03/556522603.db2.gz XIUVAQVUIOBRLH-SNVBAGLBSA-N 0 0 431.842 6.028 50 0 IKAARN CCCN(C(=O)Cc1ccc(OC(F)F)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000072300889 556523312 /nfs/dbraw/zinc/52/33/12/556523312.db2.gz UHIIJCQKHPXYPQ-XMMPIXPASA-N 0 0 442.481 5.701 50 0 IKAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)c(OC)c1 ZINC000013573538 556523804 /nfs/dbraw/zinc/52/38/04/556523804.db2.gz XARVUBRZMOTZMN-UHFFFAOYSA-N 0 0 449.503 5.344 50 0 IKAARN CCCN(C(=O)Cc1ccc(OC(F)F)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000072300888 556523859 /nfs/dbraw/zinc/52/38/59/556523859.db2.gz UHIIJCQKHPXYPQ-DEOSSOPVSA-N 0 0 442.481 5.701 50 0 IKAARN CCCN(C(=O)c1ccc(Br)o1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000072300887 556523917 /nfs/dbraw/zinc/52/39/17/556523917.db2.gz KDEXPMPHUZIBTG-HXUWFJFHSA-N 0 0 431.305 5.526 50 0 IKAARN CCCN(C(=O)c1nc(-c2cccs2)oc1C)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000072300884 556523954 /nfs/dbraw/zinc/52/39/54/556523954.db2.gz RCQWKQRPVFYADU-QHCPKHFHSA-N 0 0 449.551 6.196 50 0 IKAARN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(-c3nc4ccccc4s3)cc2)cc1OC ZINC000015393987 556524250 /nfs/dbraw/zinc/52/42/50/556524250.db2.gz ALNFCBYWZHITMU-MRXNPFEDSA-N 0 0 448.544 5.064 50 0 IKAARN O=C(Nc1ccc(O)cc1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000013574228 556524625 /nfs/dbraw/zinc/52/46/25/556524625.db2.gz QAGLEDVLRADFOI-UHFFFAOYSA-N 0 0 438.818 5.088 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412234 556524753 /nfs/dbraw/zinc/52/47/53/556524753.db2.gz UHOMSRKEAVQQDD-VWLOTQADSA-N 0 0 432.495 5.079 50 0 IKAARN COc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412319 556524769 /nfs/dbraw/zinc/52/47/69/556524769.db2.gz VHRMWQGKGXFYDD-DEOSSOPVSA-N 0 0 434.923 5.087 50 0 IKAARN COc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412176 556524836 /nfs/dbraw/zinc/52/48/36/556524836.db2.gz LTRRCRTVRGGQTD-MHZLTWQESA-N 0 0 442.559 5.557 50 0 IKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1F ZINC000015412858 556525686 /nfs/dbraw/zinc/52/56/86/556525686.db2.gz XFGMPIODKJCJNQ-IWCMWKPHSA-N 0 0 428.507 5.294 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2/C(C)=C/c2ccccc2)cc1 ZINC000015413192 556526003 /nfs/dbraw/zinc/52/60/03/556526003.db2.gz KMRGNISAKBRHEX-JXJSOSRJSA-N 0 0 440.543 5.164 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015413074 556526014 /nfs/dbraw/zinc/52/60/14/556526014.db2.gz RWIWMDCUMXKKKF-SANMLTNESA-N 0 0 428.532 5.248 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)cc1 ZINC000013576255 556526237 /nfs/dbraw/zinc/52/62/37/556526237.db2.gz NBWFIFQMGCUGIE-UHFFFAOYSA-N 0 0 446.503 5.285 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015413394 556526504 /nfs/dbraw/zinc/52/65/04/556526504.db2.gz OICXRHKDKKTXMY-HHHXNRCGSA-N 0 0 426.560 5.856 50 0 IKAARN CC(C)(C)[C@H]1CC(C(=O)Oc2ccc(I)cc2)C[C@H](C(C)(C)C)C1 ZINC000004426813 556527190 /nfs/dbraw/zinc/52/71/90/556527190.db2.gz PGRQESGPGKWUSM-HOTGVXAUSA-N 0 0 442.381 6.321 50 0 IKAARN COc1ccc(OC)c(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)c1 ZINC000013582152 556528335 /nfs/dbraw/zinc/52/83/35/556528335.db2.gz SMUWENHUAXGHJG-UHFFFAOYSA-N 0 0 425.315 6.735 50 0 IKAARN Cc1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)sc1-c1nc(-c2cccs2)no1 ZINC000032069613 556528510 /nfs/dbraw/zinc/52/85/10/556528510.db2.gz IFAQHVPWSIOZEW-UHFFFAOYSA-N 0 0 426.567 5.385 50 0 IKAARN COc1cccc(NC(=O)c2c(-c3cccnc3)nc3ccccc3c2-c2ccccc2)c1 ZINC000015453824 556528842 /nfs/dbraw/zinc/52/88/42/556528842.db2.gz MKTVIZKMVHADAC-UHFFFAOYSA-N 0 0 431.495 6.225 50 0 IKAARN CCOc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000032900617 556529477 /nfs/dbraw/zinc/52/94/77/556529477.db2.gz VCHZRGYLNYUBNZ-UHFFFAOYSA-N 0 0 431.492 5.331 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1 ZINC000032900649 556529704 /nfs/dbraw/zinc/52/97/04/556529704.db2.gz BCNBKWYAEPLNFD-UHFFFAOYSA-N 0 0 444.516 5.618 50 0 IKAARN Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc3n2C)cc1 ZINC000013591469 556529839 /nfs/dbraw/zinc/52/98/39/556529839.db2.gz NPUWWTVSCAQSBJ-UHFFFAOYSA-N 0 0 437.326 6.073 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000013592117 556529979 /nfs/dbraw/zinc/52/99/79/556529979.db2.gz PVZCLABLYJNPSD-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 ZINC000032111854 556530605 /nfs/dbraw/zinc/53/06/05/556530605.db2.gz GZZJBNBTOGGKPX-UHFFFAOYSA-N 0 0 437.668 5.248 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000013595762 556532026 /nfs/dbraw/zinc/53/20/26/556532026.db2.gz UCCDIGWNGSSVDF-KNQAVFIVSA-N 0 0 445.332 5.417 50 0 IKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000013597979 556532336 /nfs/dbraw/zinc/53/23/36/556532336.db2.gz CNELNKXKWZRKCF-UHFFFAOYSA-N 0 0 430.621 6.802 50 0 IKAARN CCCCCCn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000013598526 556532606 /nfs/dbraw/zinc/53/26/06/556532606.db2.gz HMUFVQXYNJTJQT-RUZDIDTESA-N 0 0 425.576 6.330 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616400 556535531 /nfs/dbraw/zinc/53/55/31/556535531.db2.gz JYHXHZALXFOZMW-FYYLOGMGSA-N 0 0 435.321 5.700 50 0 IKAARN C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616561 556535572 /nfs/dbraw/zinc/53/55/72/556535572.db2.gz SZRPHRMARURVQT-NQIIRXRSSA-N 0 0 425.351 5.927 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000013616485 556535598 /nfs/dbraw/zinc/53/55/98/556535598.db2.gz OJFLUQGUAZPQCU-ZJSXRUAMSA-N 0 0 437.326 6.054 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000013616633 556535613 /nfs/dbraw/zinc/53/56/13/556535613.db2.gz ZLALZZBXLIGHRE-VGSWGCGISA-N 0 0 426.925 5.661 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616398 556535622 /nfs/dbraw/zinc/53/56/22/556535622.db2.gz JYHXHZALXFOZMW-GGAORHGYSA-N 0 0 435.321 5.700 50 0 IKAARN Fc1ccc(-c2nc(-c3ccc(F)c(Br)c3)[nH]c2-c2ccc(F)cc2)cc1 ZINC000013617318 556535800 /nfs/dbraw/zinc/53/58/00/556535800.db2.gz IGBZQYINGKICCY-UHFFFAOYSA-N 0 0 429.239 6.591 50 0 IKAARN Clc1cccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)c1Cl ZINC000013617607 556535822 /nfs/dbraw/zinc/53/58/22/556535822.db2.gz VZURYSAWVRSQFG-UHFFFAOYSA-N 0 0 444.159 7.480 50 0 IKAARN CCOc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)ccc1O ZINC000013618484 556535834 /nfs/dbraw/zinc/53/58/34/556535834.db2.gz IPAPWLOORXUQBJ-UHFFFAOYSA-N 0 0 425.315 6.822 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OC)c(C)c3OC)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000013618059 556535941 /nfs/dbraw/zinc/53/59/41/556535941.db2.gz YKSFWCUCEFDPJA-UHFFFAOYSA-N 0 0 430.504 5.754 50 0 IKAARN Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3F)c2c1 ZINC000013625621 556537091 /nfs/dbraw/zinc/53/70/91/556537091.db2.gz PWODSRLNSJXYGD-UHFFFAOYSA-N 0 0 427.431 6.214 50 0 IKAARN CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000032901716 556537213 /nfs/dbraw/zinc/53/72/13/556537213.db2.gz NKWLPIJWCBAFQH-UHFFFAOYSA-N 0 0 432.954 5.115 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032719609 556537742 /nfs/dbraw/zinc/53/77/42/556537742.db2.gz UWXQENCRPNXEMR-KRWDZBQOSA-N 0 0 443.572 6.137 50 0 IKAARN O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1cc(Br)ccc1Cl ZINC000032719643 556538055 /nfs/dbraw/zinc/53/80/55/556538055.db2.gz XOHOUPWQMNIZAP-UHFFFAOYSA-N 0 0 439.718 5.126 50 0 IKAARN Cc1cccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000013629293 556538525 /nfs/dbraw/zinc/53/85/25/556538525.db2.gz ODXBMJZZIALUHM-UHFFFAOYSA-N 0 0 445.972 5.222 50 0 IKAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000032719781 556538547 /nfs/dbraw/zinc/53/85/47/556538547.db2.gz FJJNQYUMZUHDTN-UHFFFAOYSA-N 0 0 425.966 5.692 50 0 IKAARN Cc1noc(CSc2ccccc2C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1 ZINC000032902065 556538667 /nfs/dbraw/zinc/53/86/67/556538667.db2.gz QWUHNZZXSYGGFK-QGZVFWFLSA-N 0 0 429.545 5.828 50 0 IKAARN Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 ZINC000032902066 556538714 /nfs/dbraw/zinc/53/87/14/556538714.db2.gz QWUHNZZXSYGGFK-KRWDZBQOSA-N 0 0 429.545 5.828 50 0 IKAARN CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000013631214 556539130 /nfs/dbraw/zinc/53/91/30/556539130.db2.gz VPOCWVULNYJIQP-UHFFFAOYSA-N 0 0 444.575 5.963 50 0 IKAARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631207 556539151 /nfs/dbraw/zinc/53/91/51/556539151.db2.gz DRNFUVLRCUVCTH-UHFFFAOYSA-N 0 0 430.548 5.573 50 0 IKAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013632344 556539514 /nfs/dbraw/zinc/53/95/14/556539514.db2.gz ZESOWGPHLLIGAF-IBGZPJMESA-N 0 0 430.548 5.951 50 0 IKAARN COC(=O)c1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)ccc1F ZINC000032903645 556539886 /nfs/dbraw/zinc/53/98/86/556539886.db2.gz WOJVHLVZEOKCBC-UHFFFAOYSA-N 0 0 436.464 5.298 50 0 IKAARN COc1cc(CN(C)C(=O)C2c3ccccc3Oc3ccccc32)ccc1OC(F)F ZINC000015652197 556540888 /nfs/dbraw/zinc/54/08/88/556540888.db2.gz PFJFPMVIQDNNHS-UHFFFAOYSA-N 0 0 425.431 5.193 50 0 IKAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000097898298 556541895 /nfs/dbraw/zinc/54/18/95/556541895.db2.gz SGNWNLCRBLTWEJ-IKPAITLHSA-N 0 0 441.531 5.292 50 0 IKAARN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCC[C@H]1c1ccco1 ZINC000015671020 556542183 /nfs/dbraw/zinc/54/21/83/556542183.db2.gz PAEJNYFRUHTDFL-AWEZNQCLSA-N 0 0 432.427 5.047 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c32)cc1 ZINC000013641333 556542184 /nfs/dbraw/zinc/54/21/84/556542184.db2.gz HQWKDNVWJOPVSL-AWEZNQCLSA-N 0 0 429.476 5.693 50 0 IKAARN C[C@H](c1ccccc1)n1c2ccc(Cl)cc2nc1SCC(=O)c1ccc(F)cc1F ZINC000013640764 556542221 /nfs/dbraw/zinc/54/22/21/556542221.db2.gz SPRRJSDFKRJBBN-CQSZACIVSA-N 0 0 442.918 6.552 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c32)cc1 ZINC000013641330 556542236 /nfs/dbraw/zinc/54/22/36/556542236.db2.gz HQWKDNVWJOPVSL-CQSZACIVSA-N 0 0 429.476 5.693 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641515 556542503 /nfs/dbraw/zinc/54/25/03/556542503.db2.gz BJRFKXXRCPGDRS-UHFFFAOYSA-N 0 0 439.427 5.173 50 0 IKAARN CCCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1 ZINC000032617127 556542590 /nfs/dbraw/zinc/54/25/90/556542590.db2.gz AJMDMDRVAIVLKO-UHFFFAOYSA-N 0 0 426.735 5.234 50 0 IKAARN Cc1ccc(-c2nn(-c3nc(C)cc(C(F)(F)F)n3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013643486 556542856 /nfs/dbraw/zinc/54/28/56/556542856.db2.gz KUNMOUDJHOMMMM-UHFFFAOYSA-N 0 0 442.872 6.594 50 0 IKAARN CCOC(=O)[C@H](C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)C1CCCCC1 ZINC000015686627 556543305 /nfs/dbraw/zinc/54/33/05/556543305.db2.gz UPSMKRFONYISLS-QFIPXVFZSA-N 0 0 436.577 5.970 50 0 IKAARN FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3nc(-c4ccc(Cl)cc4)no3)nn21 ZINC000013644806 556543280 /nfs/dbraw/zinc/54/32/80/556543280.db2.gz AROBVTFBKCLYLU-UHFFFAOYSA-N 0 0 447.829 5.847 50 0 IKAARN O=C(Nc1ccccc1Sc1ccccc1)c1cc2nccc(-c3cccs3)n2n1 ZINC000013643907 556543295 /nfs/dbraw/zinc/54/32/95/556543295.db2.gz BUYJNIXAMYEWPW-UHFFFAOYSA-N 0 0 428.542 5.861 50 0 IKAARN c1ccc(Oc2ccc(-c3nc(-c4ccc5c(c4)OCO5)[nH]c3-c3ccccc3)cc2)cc1 ZINC000015685865 556543387 /nfs/dbraw/zinc/54/33/87/556543387.db2.gz GKKVEPIZWSJUBE-UHFFFAOYSA-N 0 0 432.479 6.932 50 0 IKAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032904366 556543673 /nfs/dbraw/zinc/54/36/73/556543673.db2.gz WDYBHFLFDJIFPD-MRXNPFEDSA-N 0 0 440.425 5.028 50 0 IKAARN O=C([C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904470 556543916 /nfs/dbraw/zinc/54/39/16/556543916.db2.gz YKBICSCPQRCOBS-LEWJYISDSA-N 0 0 441.600 6.367 50 0 IKAARN CC[S@](=O)c1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000032904512 556544400 /nfs/dbraw/zinc/54/44/00/556544400.db2.gz QGAUVWBXECQQIF-GDLZYMKVSA-N 0 0 438.496 5.133 50 0 IKAARN CC[S@@](=O)c1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000032904511 556544405 /nfs/dbraw/zinc/54/44/05/556544405.db2.gz QGAUVWBXECQQIF-LJAQVGFWSA-N 0 0 438.496 5.133 50 0 IKAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N[C@H]1CCCc2ccccc21 ZINC000013654547 556545767 /nfs/dbraw/zinc/54/57/67/556545767.db2.gz NMXYXMXYUDQVBS-DEOSSOPVSA-N 0 0 425.484 5.033 50 0 biogenic IKAARN O=C(COc1ccc(I)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000015723927 556545730 /nfs/dbraw/zinc/54/57/30/556545730.db2.gz WJMOEQKPQAVVFA-UHFFFAOYSA-N 0 0 443.240 5.208 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724565 556546042 /nfs/dbraw/zinc/54/60/42/556546042.db2.gz NBWNJMCYYUXBMP-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724633 556546046 /nfs/dbraw/zinc/54/60/46/556546046.db2.gz PLHZQYGTFNERTA-RIJXQDIUSA-N 0 0 443.566 5.933 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000015724698 556546071 /nfs/dbraw/zinc/54/60/71/556546071.db2.gz XRERCJDNHMTVOU-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000015724730 556546081 /nfs/dbraw/zinc/54/60/81/556546081.db2.gz GCXAMHOSVKHEPH-DEOSSOPVSA-N 0 0 449.476 6.675 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(CSc3ccccc3)nnc2s1 ZINC000013655018 556546096 /nfs/dbraw/zinc/54/60/96/556546096.db2.gz FJCTYKTVKYGSAR-UHFFFAOYSA-N 0 0 446.605 5.066 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015724852 556546271 /nfs/dbraw/zinc/54/62/71/556546271.db2.gz ZWBCDURYQOIAAN-RIJXQDIUSA-N 0 0 443.566 5.933 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(C)cc2)c1 ZINC000015725192 556546521 /nfs/dbraw/zinc/54/65/21/556546521.db2.gz RSEPUJNYDOIDBS-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725132 556546546 /nfs/dbraw/zinc/54/65/46/556546546.db2.gz BHNYLVPIWKCQMO-VWLOTQADSA-N 0 0 447.941 6.702 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000015725090 556546552 /nfs/dbraw/zinc/54/65/52/556546552.db2.gz VPNMIGOGSWFOJY-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 ZINC000013660166 556546650 /nfs/dbraw/zinc/54/66/50/556546650.db2.gz UBNWXKFLLCPFMW-UHFFFAOYSA-N 0 0 442.515 5.091 50 0 IKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCCCOc2ccccc2)cc1 ZINC000013658682 556546659 /nfs/dbraw/zinc/54/66/59/556546659.db2.gz TYOWPQHQAYAIBQ-QHCPKHFHSA-N 0 0 426.604 7.246 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3cccc(C)c3C)cc2c1 ZINC000013659787 556546717 /nfs/dbraw/zinc/54/67/17/556546717.db2.gz PUTUQARFBWGXKY-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000015725280 556546861 /nfs/dbraw/zinc/54/68/61/556546861.db2.gz ASYIIGFHIDQEEA-AREMUKBSSA-N 0 0 443.978 6.872 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000015725278 556546892 /nfs/dbraw/zinc/54/68/92/556546892.db2.gz ASYIIGFHIDQEEA-SANMLTNESA-N 0 0 443.978 6.872 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)o2)cc1 ZINC000032721546 556546961 /nfs/dbraw/zinc/54/69/61/556546961.db2.gz HIFAGAGEMCSRAM-UHFFFAOYSA-N 0 0 427.504 5.224 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000072303136 556546889 /nfs/dbraw/zinc/54/68/89/556546889.db2.gz AFCSQFBZHYVEPM-SFHVURJKSA-N 0 0 445.675 5.575 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1F ZINC000013660842 556546998 /nfs/dbraw/zinc/54/69/98/556546998.db2.gz STGYRQHAKGNANI-XLIONFOSSA-N 0 0 447.304 6.031 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000032721545 556547007 /nfs/dbraw/zinc/54/70/07/556547007.db2.gz KGRCNRQNIIYRNI-UHFFFAOYSA-N 0 0 448.567 5.261 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000013661916 556547012 /nfs/dbraw/zinc/54/70/12/556547012.db2.gz WXHJOAVFOYIEAJ-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(F)ccc1F)[C@H]3c1ccc(C)cc1 ZINC000015725532 556547119 /nfs/dbraw/zinc/54/71/19/556547119.db2.gz ZOVPMMYNJVUNEE-VWLOTQADSA-N 0 0 447.485 5.943 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)c(F)c1)[C@H]3c1ccc(C)cc1 ZINC000015725528 556547145 /nfs/dbraw/zinc/54/71/45/556547145.db2.gz AFLCTIKJTKLHAI-SANMLTNESA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1C)[C@H]3c1ccc(C)cc1 ZINC000015725524 556547168 /nfs/dbraw/zinc/54/71/68/556547168.db2.gz ZOUMURYIDLGJMC-MHZLTWQESA-N 0 0 439.559 6.281 50 0 IKAARN COc1cc(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC ZINC000032721999 556547481 /nfs/dbraw/zinc/54/74/81/556547481.db2.gz BFFCBBGQSLYNDL-JKSUJKDBSA-N 0 0 426.538 5.235 50 0 IKAARN CC(=O)N1CCc2cc(NC(=O)c3ccccc3CSc3nc4ccccc4o3)ccc21 ZINC000032722099 556547750 /nfs/dbraw/zinc/54/77/50/556547750.db2.gz IGDORFZYNDDAPD-UHFFFAOYSA-N 0 0 443.528 5.281 50 0 IKAARN CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)C1=CCCC1 ZINC000032722808 556547992 /nfs/dbraw/zinc/54/79/92/556547992.db2.gz GGBIKKDQZAVDBI-UHFFFAOYSA-N 0 0 430.643 5.444 50 0 IKAARN CCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(Br)c(C)c3)cc2s1 ZINC000032959454 556548219 /nfs/dbraw/zinc/54/82/19/556548219.db2.gz SJILIBUVRDBPDP-UHFFFAOYSA-N 0 0 446.370 5.287 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1Cc1ccccc1 ZINC000015767516 556549076 /nfs/dbraw/zinc/54/90/76/556549076.db2.gz LBNZSXZTLVQYKW-JLHYYAGUSA-N 0 0 433.305 5.083 50 0 IKAARN Cc1ccccc1OCC1N=NC(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032919392 556549212 /nfs/dbraw/zinc/54/92/12/556549212.db2.gz YTACVYILKNFQMR-UHFFFAOYSA-N 0 0 433.377 5.481 50 0 IKAARN CCc1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000015769587 556549811 /nfs/dbraw/zinc/54/98/11/556549811.db2.gz DZYYZBOINMHJGY-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000032996969 556550449 /nfs/dbraw/zinc/55/04/49/556550449.db2.gz LIDDEZBUTVENMH-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN CCCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000015777209 556550549 /nfs/dbraw/zinc/55/05/49/556550549.db2.gz DNGYSHANQPQRCV-INIZCTEOSA-N 0 0 432.804 5.129 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997104 556550845 /nfs/dbraw/zinc/55/08/45/556550845.db2.gz ZPNJXCHFVOQHNA-HSZRJFAPSA-N 0 0 434.565 5.573 50 0 IKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)nn2)cc1 ZINC000032996997 556550859 /nfs/dbraw/zinc/55/08/59/556550859.db2.gz FCFUGNCHYKDHEB-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN O=C(NCCc1ccccc1)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778771 556550867 /nfs/dbraw/zinc/55/08/67/556550867.db2.gz BWHNUQKMOUTSLS-NRFANRHFSA-N 0 0 432.911 5.021 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1 ZINC000032997013 556550929 /nfs/dbraw/zinc/55/09/29/556550929.db2.gz IQMNIYFOBBHMQB-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@@H]1c1cccc(F)c1F ZINC000032997251 556551078 /nfs/dbraw/zinc/55/10/78/556551078.db2.gz SDZUEITTXJZTSY-OAQYLSRUSA-N 0 0 442.491 5.153 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997181 556551149 /nfs/dbraw/zinc/55/11/49/556551149.db2.gz GDTGEOTZRVWTIQ-DEOSSOPVSA-N 0 0 448.592 5.998 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997475 556551431 /nfs/dbraw/zinc/55/14/31/556551431.db2.gz DMLABKPZSSQFLS-FQEVSTJZSA-N 0 0 426.929 5.057 50 0 IKAARN CCc1ccc([C@H]2Oc3nc(SCC(C)C)nnc3-c3ccccc3N2C(C)=O)cc1 ZINC000032997404 556551434 /nfs/dbraw/zinc/55/14/34/556551434.db2.gz ZJEHJGDVTCCULY-HSZRJFAPSA-N 0 0 434.565 5.293 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997613 556551707 /nfs/dbraw/zinc/55/17/07/556551707.db2.gz ZUYBQGIMLOQIQI-NRFANRHFSA-N 0 0 440.594 5.553 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(=O)CC)c1c(C)cc(C)cc1-2 ZINC000032997582 556551731 /nfs/dbraw/zinc/55/17/31/556551731.db2.gz UFLKSIKQPRBSRO-XMMPIXPASA-N 0 0 448.592 5.882 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccccc1 ZINC000032997746 556551932 /nfs/dbraw/zinc/55/19/32/556551932.db2.gz JMZCTBIHLNONOA-HSZRJFAPSA-N 0 0 434.565 5.348 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(C)o1 ZINC000032997708 556551964 /nfs/dbraw/zinc/55/19/64/556551964.db2.gz VXJHOBAJLCTDHL-JOCHJYFZSA-N 0 0 438.553 5.249 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@@H]1c1ccccc1 ZINC000032998039 556552296 /nfs/dbraw/zinc/55/22/96/556552296.db2.gz FOXJDPMMZQSQIU-HSZRJFAPSA-N 0 0 434.565 5.429 50 0 IKAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1cccc(C)c1 ZINC000032998147 556552298 /nfs/dbraw/zinc/55/22/98/556552298.db2.gz ZZRNWXFDNWRUNN-FQEVSTJZSA-N 0 0 426.929 5.057 50 0 IKAARN Cc1c(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998561 556552501 /nfs/dbraw/zinc/55/25/01/556552501.db2.gz PACPXOKCEWZKKQ-UHFFFAOYSA-N 0 0 426.451 5.058 50 0 IKAARN CCc1ccc(-n2ncc(-c3cc(C(=O)NC4CCCCC4)c4ccccc4n3)c2C)cc1 ZINC000032998529 556552528 /nfs/dbraw/zinc/55/25/28/556552528.db2.gz UVMLSBXGADFSIN-UHFFFAOYSA-N 0 0 438.575 6.021 50 0 IKAARN CC[C@@H](C)c1ccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 ZINC000032906593 556553315 /nfs/dbraw/zinc/55/33/15/556553315.db2.gz MNXVFMVXAVTYON-WGDIFIGCSA-N 0 0 448.588 5.431 50 0 IKAARN CC[C@H](C)c1ccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 ZINC000032906594 556553445 /nfs/dbraw/zinc/55/34/45/556553445.db2.gz MNXVFMVXAVTYON-MRDQGFSESA-N 0 0 448.588 5.431 50 0 IKAARN COC(=O)[C@@H](NC(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccccc1 ZINC000033114966 556554266 /nfs/dbraw/zinc/55/42/66/556554266.db2.gz OFGWFKISTODQMT-QFIPXVFZSA-N 0 0 427.460 5.044 50 0 IKAARN Cc1ccc(OCCCCOc2cccc3cccnc32)c(I)c1 ZINC000015835771 556555265 /nfs/dbraw/zinc/55/52/65/556555265.db2.gz HZOMNRMFHORPTI-UHFFFAOYSA-N 0 0 433.289 5.386 50 0 IKAARN CN(C(=O)c1ccc(Br)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835524 556555344 /nfs/dbraw/zinc/55/53/44/556555344.db2.gz JGTVWWSXKVTPOE-FQEVSTJZSA-N 0 0 425.351 5.854 50 0 IKAARN Cc1ccc(C)c(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 ZINC000015833705 556555352 /nfs/dbraw/zinc/55/53/52/556555352.db2.gz RMUSNYOLWLVDPI-UHFFFAOYSA-N 0 0 431.536 5.378 50 0 IKAARN Cc1ccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3cccnc3)n2)cc1 ZINC000015835367 556555367 /nfs/dbraw/zinc/55/53/67/556555367.db2.gz LGYDNIQOQARAAT-UHFFFAOYSA-N 0 0 444.585 5.876 50 0 IKAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000033115631 556555427 /nfs/dbraw/zinc/55/54/27/556555427.db2.gz SKWCAUVDDKZGQH-SANMLTNESA-N 0 0 444.556 5.088 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000033115630 556555447 /nfs/dbraw/zinc/55/54/47/556555447.db2.gz MOZCDJXSAILKRX-RUZDIDTESA-N 0 0 432.520 5.219 50 0 IKAARN Cc1ccccc1CSCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000015836113 556555635 /nfs/dbraw/zinc/55/56/35/556555635.db2.gz OWPSHHISNMKBQD-UHFFFAOYSA-N 0 0 430.617 5.162 50 0 IKAARN O=C(Cc1ccccc1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033115692 556555688 /nfs/dbraw/zinc/55/56/88/556555688.db2.gz YXMWMFXKLRFJGT-HHHXNRCGSA-N 0 0 438.596 6.092 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccc(F)c2)cc1 ZINC000033115653 556555723 /nfs/dbraw/zinc/55/57/23/556555723.db2.gz PEJKDJYHPSGGRI-VWLOTQADSA-N 0 0 432.520 5.219 50 0 IKAARN Cc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccccc5C)CC4)n3n2)cc1 ZINC000033115726 556555745 /nfs/dbraw/zinc/55/57/45/556555745.db2.gz CNOJCUJTGJFVCU-UHFFFAOYSA-N 0 0 439.563 5.177 50 0 IKAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccc(F)cc3)s1)=C2 ZINC000015838696 556555963 /nfs/dbraw/zinc/55/59/63/556555963.db2.gz JGFKXVWNRATRRI-UHFFFAOYSA-N 0 0 442.899 5.463 50 0 IKAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccccc3F)s1)=C2 ZINC000015838705 556556127 /nfs/dbraw/zinc/55/61/27/556556127.db2.gz SQFCSVHTMNGGMH-UHFFFAOYSA-N 0 0 442.899 5.463 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000072305826 556556831 /nfs/dbraw/zinc/55/68/31/556556831.db2.gz WHQNZVCAMURVBQ-MRXNPFEDSA-N 0 0 430.474 6.048 50 0 IKAARN O=C(Nc1nc(-c2cccnc2)cs1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000072305805 556556848 /nfs/dbraw/zinc/55/68/48/556556848.db2.gz WXIKCKOLMJSQAG-UHFFFAOYSA-N 0 0 448.577 5.135 50 0 IKAARN COc1ccc(Cc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1OC ZINC000015842414 556557013 /nfs/dbraw/zinc/55/70/13/556557013.db2.gz QKDZIVLMHRTGQT-UHFFFAOYSA-N 0 0 433.556 5.199 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000033262616 556557345 /nfs/dbraw/zinc/55/73/45/556557345.db2.gz FLSNZLYDYKXEKV-UHFFFAOYSA-N 0 0 449.601 5.516 50 0 IKAARN O=C(CSc1nnc(NCc2ccco2)s1)N1c2ccccc2CCc2ccccc21 ZINC000032906017 556557306 /nfs/dbraw/zinc/55/73/06/556557306.db2.gz IYAPCPKHLZVXFL-UHFFFAOYSA-N 0 0 448.573 5.299 50 0 IKAARN CC(C)c1ccccc1OCC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266270 556557644 /nfs/dbraw/zinc/55/76/44/556557644.db2.gz YWWARSQELGFVBT-DEOSSOPVSA-N 0 0 445.494 5.284 50 0 IKAARN CCOc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000033266241 556557676 /nfs/dbraw/zinc/55/76/76/556557676.db2.gz PNFMGGWLQQIHIB-OAQYLSRUSA-N 0 0 448.910 5.700 50 0 IKAARN Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCCC2)o1 ZINC000015860414 556558461 /nfs/dbraw/zinc/55/84/61/556558461.db2.gz JZBXXPISENLAHG-SFHVURJKSA-N 0 0 445.357 5.362 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)o4)ns3)c(C)c2c1 ZINC000015859962 556558601 /nfs/dbraw/zinc/55/86/01/556558601.db2.gz RCOLCENNIXNBJM-UHFFFAOYSA-N 0 0 432.299 5.430 50 0 IKAARN O=C(Nc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccs1 ZINC000032907382 556559154 /nfs/dbraw/zinc/55/91/54/556559154.db2.gz NINAUEOFXWOTEI-UHFFFAOYSA-N 0 0 447.585 5.630 50 0 IKAARN Cc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccc(F)cc5)CC4)n3n2)cc1 ZINC000033274920 556559358 /nfs/dbraw/zinc/55/93/58/556559358.db2.gz RGTOYIPSTBLOHA-UHFFFAOYSA-N 0 0 443.526 5.007 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)C2=O)c1 ZINC000015867923 556559357 /nfs/dbraw/zinc/55/93/57/556559357.db2.gz SBMMEPCUNSJJBA-OAQYLSRUSA-N 0 0 427.548 5.318 50 0 IKAARN Cc1ccc(Cc2nnc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)o2)cc1 ZINC000015869241 556559858 /nfs/dbraw/zinc/55/98/58/556559858.db2.gz JORHMQWTEYGQGF-UHFFFAOYSA-N 0 0 439.924 5.090 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)n2)c(C)c1 ZINC000015869256 556560031 /nfs/dbraw/zinc/56/00/31/556560031.db2.gz MDWVHJUIPSPCTE-UHFFFAOYSA-N 0 0 438.936 6.080 50 0 IKAARN COc1ccccc1-c1noc([C@H](C)Nc2nc(-c3cccs3)nc3ccccc32)n1 ZINC000072307645 556560960 /nfs/dbraw/zinc/56/09/60/556560960.db2.gz WTAPHMKKQYEDRF-AWEZNQCLSA-N 0 0 429.505 5.590 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)cc12 ZINC000015906064 556562530 /nfs/dbraw/zinc/56/25/30/556562530.db2.gz IYXPIIACAKBMGA-UHFFFAOYSA-N 0 0 444.585 6.388 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nc4cc(Cl)ccc4o3)ccc21 ZINC000015910869 556562773 /nfs/dbraw/zinc/56/27/73/556562773.db2.gz RMYRMFATIHMSDH-UHFFFAOYSA-N 0 0 435.936 6.340 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 ZINC000015910326 556562820 /nfs/dbraw/zinc/56/28/20/556562820.db2.gz BASAPHXKTUUGLJ-QFIPXVFZSA-N 0 0 433.895 5.399 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(/C=C/c3ccccc3)oc2NCc2ccccc2)cc1 ZINC000015906221 556562886 /nfs/dbraw/zinc/56/28/86/556562886.db2.gz OYQWUBUKIHRUQD-SAPNQHFASA-N 0 0 430.529 5.598 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000015912025 556563166 /nfs/dbraw/zinc/56/31/66/556563166.db2.gz CNBYSYJODWNUME-CALCHBBNSA-N 0 0 432.659 5.317 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)CC(C)(C)C)o1 ZINC000033385288 556563405 /nfs/dbraw/zinc/56/34/05/556563405.db2.gz GIUBZTPQNZQSLU-UHFFFAOYSA-N 0 0 440.628 5.470 50 0 IKAARN O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000072307966 556563468 /nfs/dbraw/zinc/56/34/68/556563468.db2.gz YZSZDZYSJJVMMT-OAHLLOKOSA-N 0 0 433.304 5.122 50 0 IKAARN COCCCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccccc1Cl ZINC000032908182 556564208 /nfs/dbraw/zinc/56/42/08/556564208.db2.gz RRSHZSHIJRYIBW-UHFFFAOYSA-N 0 0 447.973 5.039 50 0 IKAARN CC(C)[C@@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000032908369 556564517 /nfs/dbraw/zinc/56/45/17/556564517.db2.gz CEPBYQGWJZKJNW-AREMUKBSSA-N 0 0 447.579 5.001 50 0 IKAARN FC(F)(F)c1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3nc(-c4ccsc4)no3)n2)c1 ZINC000072308665 556565563 /nfs/dbraw/zinc/56/55/63/556565563.db2.gz HVOSHYFQYZAIBC-KRWDZBQOSA-N 0 0 445.470 5.544 50 0 IKAARN FC(F)(F)c1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3nnc(-c4ccccc4)o3)n2)c1 ZINC000072308658 556565613 /nfs/dbraw/zinc/56/56/13/556565613.db2.gz MOYWHGCJXNCYBS-IBGZPJMESA-N 0 0 439.441 5.483 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cc(C)cc(C)c3)cc1)=NCC2 ZINC000033678651 556566760 /nfs/dbraw/zinc/56/67/60/556566760.db2.gz WBDAKLBEWMLAKO-UHFFFAOYSA-N 0 0 443.547 5.553 50 0 IKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(O)c(OC)c2)N3)C1 ZINC000015945414 556566818 /nfs/dbraw/zinc/56/68/18/556566818.db2.gz PFOWIHQBYOLWEJ-VVVCHXIZSA-N 0 0 437.359 5.169 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C(=O)Nc2ccccc2)C1 ZINC000015946059 556567012 /nfs/dbraw/zinc/56/70/12/556567012.db2.gz QZCLYQFWZFPSHH-KRWDZBQOSA-N 0 0 439.625 5.186 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2ccccc2F)C1 ZINC000015946887 556567765 /nfs/dbraw/zinc/56/77/65/556567765.db2.gz GQTWJQYRXHQENH-MRXNPFEDSA-N 0 0 443.588 5.079 50 0 IKAARN O=C1N[C@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000015947388 556568105 /nfs/dbraw/zinc/56/81/05/556568105.db2.gz BEMVIGTVOXRBLJ-FQEVSTJZSA-N 0 0 444.387 6.042 50 0 IKAARN CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@@H](C)C5)o2)cc1 ZINC000015947809 556568648 /nfs/dbraw/zinc/56/86/48/556568648.db2.gz 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IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000033926510 556569373 /nfs/dbraw/zinc/56/93/73/556569373.db2.gz JWPFNQGFLLGXRP-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN O=C(CC1CCCCC1)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000032960576 556570233 /nfs/dbraw/zinc/57/02/33/556570233.db2.gz AHCAYRGRWYKLPI-UHFFFAOYSA-N 0 0 437.587 6.720 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1 ZINC000015974852 556570283 /nfs/dbraw/zinc/57/02/83/556570283.db2.gz ZRLQXEYSYMXJIR-QGZVFWFLSA-N 0 0 448.589 5.029 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c(C)c1 ZINC000015974911 556570319 /nfs/dbraw/zinc/57/03/19/556570319.db2.gz XYVRKMORVGYQSH-QGZVFWFLSA-N 0 0 448.589 5.029 50 0 IKAARN Cn1c(CCc2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)nc2ccccc21 ZINC000032960882 556571042 /nfs/dbraw/zinc/57/10/42/556571042.db2.gz LKJPPDRATFALDQ-UHFFFAOYSA-N 0 0 427.533 5.062 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)nc2ccccc21 ZINC000032960771 556571099 /nfs/dbraw/zinc/57/10/99/556571099.db2.gz GRDKNUANIVYKQM-UHFFFAOYSA-N 0 0 433.939 5.512 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000034138851 556571151 /nfs/dbraw/zinc/57/11/51/556571151.db2.gz FJGWBBGQOFPIDQ-CLOONOSVSA-N 0 0 434.492 5.246 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000015988937 556571465 /nfs/dbraw/zinc/57/14/65/556571465.db2.gz WTDXSHNXEDCIFK-SJORKVTESA-N 0 0 433.343 5.027 50 0 IKAARN CCOc1ccc(CC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1OCC ZINC000032960706 556571512 /nfs/dbraw/zinc/57/15/12/556571512.db2.gz YVTNGXBZJHWYAV-UHFFFAOYSA-N 0 0 443.547 5.327 50 0 IKAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4cc(-c5cccs5)[nH]n4)cc3)nc2c1 ZINC000032960986 556571780 /nfs/dbraw/zinc/57/17/80/556571780.db2.gz BITSQYBEWAPCAC-UHFFFAOYSA-N 0 0 427.533 5.360 50 0 IKAARN O=C(CN(Cc1ccco1)C(=O)c1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015998070 556572097 /nfs/dbraw/zinc/57/20/97/556572097.db2.gz FHMDDCNBGFXFDK-UHFFFAOYSA-N 0 0 442.846 5.294 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 ZINC000016000792 556572708 /nfs/dbraw/zinc/57/27/08/556572708.db2.gz ONIBXVQSMPYJDU-UHFFFAOYSA-N 0 0 432.589 5.630 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000000845047 556573361 /nfs/dbraw/zinc/57/33/61/556573361.db2.gz HXKRUSRRNIZJEN-UHFFFAOYSA-N 0 0 438.818 5.088 50 0 IKAARN Cc1ccc(-n2c3c(cc(C(=O)Nc4ccc(C)cc4C)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000001122222 556573848 /nfs/dbraw/zinc/57/38/48/556573848.db2.gz ZGUPVGHGFPLIQS-UHFFFAOYSA-N 0 0 428.532 5.170 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000016033443 556577113 /nfs/dbraw/zinc/57/71/13/556577113.db2.gz CTUMMESNLVRHKF-IAQYHMDHSA-N 0 0 446.400 6.281 50 0 IKAARN CN(c1nc(-c2cccs2)nc2scc(-c3ccccc3)c21)C1CCS(=O)CC1 ZINC000072310993 556577227 /nfs/dbraw/zinc/57/72/27/556577227.db2.gz DPZYICUSTUOIKL-UHFFFAOYSA-N 0 0 439.631 5.434 50 0 IKAARN c1coc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2Cc2ccccc2)c1 ZINC000016035359 556577349 /nfs/dbraw/zinc/57/73/49/556577349.db2.gz OFGLZUBUWPNWHX-UHFFFAOYSA-N 0 0 430.558 6.002 50 0 IKAARN COc1ccc(OC)c(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC000032909901 556577711 /nfs/dbraw/zinc/57/77/11/556577711.db2.gz CBMQVBNEZKPCAZ-UHFFFAOYSA-N 0 0 434.517 5.067 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc(C)c1Cl ZINC000022135467 556577925 /nfs/dbraw/zinc/57/79/25/556577925.db2.gz FUTUKPFFWZCKMP-UHFFFAOYSA-N 0 0 442.302 5.831 50 0 IKAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2cccc(F)c2)o1 ZINC000016039306 556578059 /nfs/dbraw/zinc/57/80/59/556578059.db2.gz AOZRINSAAVCDFF-GOSISDBHSA-N 0 0 429.517 5.310 50 0 IKAARN O=C(OCc1cc(Cl)cc2c1OCOC2)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000016043511 556578345 /nfs/dbraw/zinc/57/83/45/556578345.db2.gz ADJVSAKRCBLMEG-LJQDGHHOSA-N 0 0 438.951 5.788 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000003067714 556578591 /nfs/dbraw/zinc/57/85/91/556578591.db2.gz PTZYPBSIXLYMRA-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN CCCCc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)s1 ZINC000004889701 556579283 /nfs/dbraw/zinc/57/92/83/556579283.db2.gz KJEZTOPPACCGJC-UHFFFAOYSA-N 0 0 430.610 5.323 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@H](C)O)cc4)cc3N2)cc1 ZINC000101193018 556580105 /nfs/dbraw/zinc/58/01/05/556580105.db2.gz GICSYISSFVMOKN-ADLFWFRXSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1ccc(Nc2nnc(SCc3cc(=O)n4c5ccccc5sc4n3)s2)cc1 ZINC000032910171 556580783 /nfs/dbraw/zinc/58/07/83/556580783.db2.gz KHBJVQJYUMYDQH-UHFFFAOYSA-N 0 0 437.575 5.105 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3F)cc2Cl)n1 ZINC000034713067 556581277 /nfs/dbraw/zinc/58/12/77/556581277.db2.gz OMLWDKTXMLBROC-INIZCTEOSA-N 0 0 446.931 5.090 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)COc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000032910849 556581631 /nfs/dbraw/zinc/58/16/31/556581631.db2.gz KSMGOMRKTRELNI-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN Cc1ccccc1-n1c(SCc2nc(-c3ccsc3)no2)nnc1-c1cccnc1 ZINC000016072171 556581648 /nfs/dbraw/zinc/58/16/48/556581648.db2.gz FILOMYBZSLKWCV-UHFFFAOYSA-N 0 0 432.534 5.042 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000034723700 556581690 /nfs/dbraw/zinc/58/16/90/556581690.db2.gz BNOFIZRTHXAFBJ-UHFFFAOYSA-N 0 0 431.511 5.110 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1N1CCCN([C@H](C)c2ccccc2)C1=O)c1ccccc1 ZINC000034735134 556581757 /nfs/dbraw/zinc/58/17/57/556581757.db2.gz DPPUCHRMZKSSST-QPPBQGQZSA-N 0 0 441.575 6.212 50 0 IKAARN COc1ccc(NC(=O)Cc2ccccc2)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739786 556582027 /nfs/dbraw/zinc/58/20/27/556582027.db2.gz WNASWZZEURKIQK-UHFFFAOYSA-N 0 0 443.547 5.017 50 0 IKAARN Cc1nc(SCc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)[nH]c1Cc1ccccc1 ZINC000016098477 556582739 /nfs/dbraw/zinc/58/27/39/556582739.db2.gz JHKSFGLEGRSDNU-ZDUSSCGKSA-N 0 0 436.606 5.024 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C1)=N2 ZINC000034812755 556582953 /nfs/dbraw/zinc/58/29/53/556582953.db2.gz PCXZAZDHRCAIJI-SFHVURJKSA-N 0 0 445.950 5.679 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)CC3CCCC3)[C@@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813422 556583083 /nfs/dbraw/zinc/58/30/83/556583083.db2.gz JTTVJUARRVWQIJ-IBGZPJMESA-N 0 0 447.579 5.301 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000034846269 556583542 /nfs/dbraw/zinc/58/35/42/556583542.db2.gz NVVJJAPFDFBRJF-UHFFFAOYSA-N 0 0 449.551 5.704 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Cl)c1O ZINC000034868740 556584607 /nfs/dbraw/zinc/58/46/07/556584607.db2.gz FIOOACASMVEVEO-UUASQNMZSA-N 0 0 428.268 5.083 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2ccc(OC)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000016176388 556586961 /nfs/dbraw/zinc/58/69/61/556586961.db2.gz MIYROIRQNGWDAS-QFIPXVFZSA-N 0 0 444.531 5.146 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc32)cc1OC ZINC000016176575 556586986 /nfs/dbraw/zinc/58/69/86/556586986.db2.gz BSCFRGUVRBSBDS-HXUWFJFHSA-N 0 0 432.495 5.276 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc32)cc1OC ZINC000016176405 556587043 /nfs/dbraw/zinc/58/70/43/556587043.db2.gz WVWKURXDNSVORV-JOCHJYFZSA-N 0 0 444.531 5.146 50 0 IKAARN Ic1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C2)cc1 ZINC000100766393 556587975 /nfs/dbraw/zinc/58/79/75/556587975.db2.gz BSUYEIQQKYFQOV-NRFANRHFSA-N 0 0 449.295 5.697 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)CC(C)C)cc3n2)cc1 ZINC000016193198 556588971 /nfs/dbraw/zinc/58/89/71/556588971.db2.gz TYOKCWYCFBGWSM-UHFFFAOYSA-N 0 0 444.004 5.276 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000016193232 556588980 /nfs/dbraw/zinc/58/89/80/556588980.db2.gz KRMMKBBXVRYQDT-UHFFFAOYSA-N 0 0 430.508 5.122 50 0 IKAARN CCOC(=O)CC(=O)C[C@H](O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000035635600 556589373 /nfs/dbraw/zinc/58/93/73/556589373.db2.gz DPBQVLWVWXLRGW-FBRRREGBSA-N 0 0 447.506 5.205 50 0 in-vitro IKAARN O=C(c1cccs1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000032912335 556590965 /nfs/dbraw/zinc/59/09/65/556590965.db2.gz FGODHHBQUCPEDK-MRXNPFEDSA-N 0 0 425.897 5.032 50 0 IKAARN CC(=O)N[C@H](C)c1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000016221993 556592085 /nfs/dbraw/zinc/59/20/85/556592085.db2.gz YOAPPQRDYMDGBY-CYBMUJFWSA-N 0 0 431.319 5.309 50 0 IKAARN C[C@@H]1CN(C(=O)/C=C/c2cccc(Cl)c2)[C@@H](C)CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000016226098 556592678 /nfs/dbraw/zinc/59/26/78/556592678.db2.gz LJADBZZIRPZWRT-DOKAVIGKSA-N 0 0 443.374 5.168 50 0 IKAARN COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3)o2)cc1Cl ZINC000016226909 556592807 /nfs/dbraw/zinc/59/28/07/556592807.db2.gz RQVJSKZGZBNGFE-UHFFFAOYSA-N 0 0 445.862 6.064 50 0 IKAARN Cc1cc(C)c(C)c(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3C)cs2)c1 ZINC000036105872 556593162 /nfs/dbraw/zinc/59/31/62/556593162.db2.gz NTDWUCJRQJKQCZ-UHFFFAOYSA-N 0 0 436.621 6.254 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000016248439 556594221 /nfs/dbraw/zinc/59/42/21/556594221.db2.gz ZWJMCFDEDJYWRJ-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN COc1cc2c(cc1NC(=O)CCc1c(C)c3ccc(C)cc3oc1=O)oc1ccccc12 ZINC000016261069 556594908 /nfs/dbraw/zinc/59/49/08/556594908.db2.gz GITKMMZARXCQHY-UHFFFAOYSA-N 0 0 441.483 5.889 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccccc2OCC)c1C ZINC000032974510 556595872 /nfs/dbraw/zinc/59/58/72/556595872.db2.gz LREBNZJXCABHEQ-UHFFFAOYSA-N 0 0 449.551 5.441 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccc(C)cc2C)c1C ZINC000032974514 556595878 /nfs/dbraw/zinc/59/58/78/556595878.db2.gz LIHXEJAAAJSDEP-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000032974923 556596579 /nfs/dbraw/zinc/59/65/79/556596579.db2.gz ANLJCHUTTDBUID-QHCPKHFHSA-N 0 0 437.587 5.918 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)oc2cc1C ZINC000016284196 556596977 /nfs/dbraw/zinc/59/69/77/556596977.db2.gz IPPAHDFHACSTPS-UHFFFAOYSA-N 0 0 434.923 6.561 50 0 IKAARN Cc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)c1C ZINC000036349786 556596976 /nfs/dbraw/zinc/59/69/76/556596976.db2.gz SDFGPHSOHWQFOL-UHFFFAOYSA-N 0 0 432.511 7.320 50 0 IKAARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350238 556597030 /nfs/dbraw/zinc/59/70/30/556597030.db2.gz XNTHFSPZVIDXAG-UHFFFAOYSA-N 0 0 434.439 5.871 50 0 IKAARN CCc1sc(N(C(=O)CCc2ccccc2)c2ccccc2F)nc1-c1ccccc1 ZINC000016286105 556597468 /nfs/dbraw/zinc/59/74/68/556597468.db2.gz IMVQWJKJVGBDOC-UHFFFAOYSA-N 0 0 430.548 6.809 50 0 IKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000036372525 556597530 /nfs/dbraw/zinc/59/75/30/556597530.db2.gz HFPTUUXSQVVIBT-WMZHIEFXSA-N 0 0 449.304 5.420 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)CC2)cc1 ZINC000016291914 556597966 /nfs/dbraw/zinc/59/79/66/556597966.db2.gz HEOUTUKXBIDSMC-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc3c(=O)cc(-c4ccc(Cl)cc4)oc3cc21 ZINC000036445158 556598088 /nfs/dbraw/zinc/59/80/88/556598088.db2.gz AKATURSCZSXSQQ-UHFFFAOYSA-N 0 0 441.914 6.877 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2c(C)c1 ZINC000016347312 556601559 /nfs/dbraw/zinc/60/15/59/556601559.db2.gz OCPCAPCUGSCRQJ-WYMLVPIESA-N 0 0 448.522 7.332 50 0 IKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)c3)nc2c1 ZINC000016348410 556601843 /nfs/dbraw/zinc/60/18/43/556601843.db2.gz ZVAFTZVEINALDK-UHFFFAOYSA-N 0 0 428.532 6.561 50 0 IKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cccc2ccccc21 ZINC000016361467 556602702 /nfs/dbraw/zinc/60/27/02/556602702.db2.gz WRTUDUMGNASCKG-UHFFFAOYSA-N 0 0 439.534 5.553 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F ZINC000016362315 556603146 /nfs/dbraw/zinc/60/31/46/556603146.db2.gz VASLLVVZKMNBHD-UHFFFAOYSA-N 0 0 426.513 5.112 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983971 556603238 /nfs/dbraw/zinc/60/32/38/556603238.db2.gz HLKRYFKBGBWHCZ-ZJVWCJDDSA-N 0 0 444.918 5.519 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000016381536 556603567 /nfs/dbraw/zinc/60/35/67/556603567.db2.gz OGRSODNAUKKONE-UHFFFAOYSA-N 0 0 438.593 5.205 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000016381547 556603580 /nfs/dbraw/zinc/60/35/80/556603580.db2.gz BYRGNEZCMAMQCP-QHCPKHFHSA-N 0 0 444.289 5.140 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000032984666 556603866 /nfs/dbraw/zinc/60/38/66/556603866.db2.gz GOSLUPZSCDUAJY-UHFFFAOYSA-N 0 0 439.968 5.962 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000016381970 556603894 /nfs/dbraw/zinc/60/38/94/556603894.db2.gz WLVJTIJBYMJEFC-HXUWFJFHSA-N 0 0 444.600 6.246 50 0 IKAARN COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CCC(C)C)c(C)o2)cc1 ZINC000032984677 556604010 /nfs/dbraw/zinc/60/40/10/556604010.db2.gz FAOKLEGQRDUUDZ-UHFFFAOYSA-N 0 0 449.576 5.707 50 0 IKAARN FC(F)(F)c1cc(SCc2cc3c(cc2Cl)OCO3)nc2cc3c(cc21)OCO3 ZINC000016383138 556604054 /nfs/dbraw/zinc/60/40/54/556604054.db2.gz KWEZUWGMDVECDU-UHFFFAOYSA-N 0 0 441.814 5.657 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000032984784 556604037 /nfs/dbraw/zinc/60/40/37/556604037.db2.gz DLLOVLBUVRWTLR-LJQANCHMSA-N 0 0 447.560 5.140 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000032984744 556604040 /nfs/dbraw/zinc/60/40/40/556604040.db2.gz WWFVAXZWPCRBTJ-UHFFFAOYSA-N 0 0 439.540 5.701 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000032984789 556604048 /nfs/dbraw/zinc/60/40/48/556604048.db2.gz BGJOQTFHWLNFQM-SFHVURJKSA-N 0 0 447.560 5.140 50 0 IKAARN Cc1cccc(NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2N2CCCCC2)c1C ZINC000032985117 556604502 /nfs/dbraw/zinc/60/45/02/556604502.db2.gz QDGFIZGLPLCGEB-UHFFFAOYSA-N 0 0 443.469 6.220 50 0 IKAARN O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CCC(Cc2ccccc2)CC1 ZINC000016392178 556604509 /nfs/dbraw/zinc/60/45/09/556604509.db2.gz FOHCXDYURMCLKO-UHFFFAOYSA-N 0 0 441.962 6.045 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c(C)c2c1 ZINC000016391780 556604522 /nfs/dbraw/zinc/60/45/22/556604522.db2.gz GZVIUHNWGQRFAY-UHFFFAOYSA-N 0 0 440.565 5.121 50 0 IKAARN O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CCC(Cc2ccccc2)CC1 ZINC000016392750 556604770 /nfs/dbraw/zinc/60/47/70/556604770.db2.gz CGYPTPNNMGIGJZ-UHFFFAOYSA-N 0 0 441.962 6.045 50 0 IKAARN CCOc1ccccc1NC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000032985626 556605019 /nfs/dbraw/zinc/60/50/19/556605019.db2.gz QLGIVAFDYHZHRR-UHFFFAOYSA-N 0 0 428.488 5.327 50 0 IKAARN COc1cccc(-c2cc(OCC(=O)Nc3cccc(C(C)=O)c3)c3ccccc3n2)c1 ZINC000032985630 556605044 /nfs/dbraw/zinc/60/50/44/556605044.db2.gz LRNNMHBMHNOBRU-UHFFFAOYSA-N 0 0 426.472 5.131 50 0 IKAARN COc1ccc(-c2cc(OCC(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)cc1 ZINC000032985609 556605061 /nfs/dbraw/zinc/60/50/61/556605061.db2.gz RYEYMFBBZIMWDW-UHFFFAOYSA-N 0 0 448.906 5.590 50 0 IKAARN COc1cccc(-c2cc(OCC(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)c1 ZINC000032985632 556605222 /nfs/dbraw/zinc/60/52/22/556605222.db2.gz DLNIKBNPQLJTJS-UHFFFAOYSA-N 0 0 432.907 5.890 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCCO2 ZINC000016399396 556605272 /nfs/dbraw/zinc/60/52/72/556605272.db2.gz URBQQXXJYLTBPU-UHFFFAOYSA-N 0 0 443.286 5.269 50 0 IKAARN COc1cccc(-c2cc(OCC(=O)Nc3c(C)cc(C)cc3C)c3ccccc3n2)c1 ZINC000032985634 556605303 /nfs/dbraw/zinc/60/53/03/556605303.db2.gz VUJJKOLRJCJFGO-UHFFFAOYSA-N 0 0 426.516 5.853 50 0 IKAARN CCc1c(C)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)N1CCOCC1 ZINC000016400352 556605503 /nfs/dbraw/zinc/60/55/03/556605503.db2.gz HAVMCDXNFLZRKZ-UHFFFAOYSA-N 0 0 448.997 5.212 50 0 IKAARN COc1ccc(OC)c(NC(=O)COc2cc(-c3ccccc3)nc3ccc(C)cc32)c1 ZINC000032985830 556605574 /nfs/dbraw/zinc/60/55/74/556605574.db2.gz MCLMIFJNTMKAAR-UHFFFAOYSA-N 0 0 428.488 5.245 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC(=O)N3CCC(C)CC3)c2c1 ZINC000032985852 556605578 /nfs/dbraw/zinc/60/55/78/556605578.db2.gz LYMZMDOSLSVCMK-UHFFFAOYSA-N 0 0 446.547 5.024 50 0 IKAARN O=C([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401604 556605962 /nfs/dbraw/zinc/60/59/62/556605962.db2.gz BSZRTHRHKMBVRT-UHFFFAOYSA-N 0 0 444.300 5.155 50 0 IKAARN CCOc1cc(CN(Cc2nc(-c3ccc(F)cc3)no2)C2CC2)ccc1OC(F)F ZINC000016419335 556605984 /nfs/dbraw/zinc/60/59/84/556605984.db2.gz OADFWBGTRYFPLD-UHFFFAOYSA-N 0 0 433.430 5.040 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(F)cc3C)cc21 ZINC000032986539 556606222 /nfs/dbraw/zinc/60/62/22/556606222.db2.gz IMICTMIFQWYDCW-UHFFFAOYSA-N 0 0 430.479 6.009 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cccc(OC)c3)cc21 ZINC000032986606 556606251 /nfs/dbraw/zinc/60/62/51/556606251.db2.gz KOKDCHIRDMSJJL-UHFFFAOYSA-N 0 0 432.907 6.215 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cccc(C)c3C)cc21 ZINC000032986598 556606263 /nfs/dbraw/zinc/60/62/63/556606263.db2.gz KRDVLPPMUFZUQU-UHFFFAOYSA-N 0 0 430.935 6.823 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc21 ZINC000032986531 556606301 /nfs/dbraw/zinc/60/63/01/556606301.db2.gz JUYARPYVPOAMHC-UHFFFAOYSA-N 0 0 440.543 6.685 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccccc3OC)cc21 ZINC000032986553 556606308 /nfs/dbraw/zinc/60/63/08/556606308.db2.gz BZTVVYWGXWKTFX-UHFFFAOYSA-N 0 0 442.515 5.248 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000032986733 556606495 /nfs/dbraw/zinc/60/64/95/556606495.db2.gz XUAORRVADUIXLU-UHFFFAOYSA-N 0 0 426.472 5.590 50 0 IKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21 ZINC000032986769 556606512 /nfs/dbraw/zinc/60/65/12/556606512.db2.gz JWGOFPFOALHHEG-UHFFFAOYSA-N 0 0 437.543 5.181 50 0 IKAARN CC1CCN(c2ccccc2NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000016426357 556606511 /nfs/dbraw/zinc/60/65/11/556606511.db2.gz FSPFPJZNHYCWQT-UHFFFAOYSA-N 0 0 443.616 5.568 50 0 IKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1CCc1ccc(Cl)cc1 ZINC000032986952 556606719 /nfs/dbraw/zinc/60/67/19/556606719.db2.gz PICNBPWMZYPGKY-OAQYLSRUSA-N 0 0 433.360 5.351 50 0 IKAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2)N1CCc1ccc(Cl)cc1 ZINC000032986951 556606730 /nfs/dbraw/zinc/60/67/30/556606730.db2.gz PICNBPWMZYPGKY-NRFANRHFSA-N 0 0 433.360 5.351 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc2c(Cl)cccc12 ZINC000016447727 556608051 /nfs/dbraw/zinc/60/80/51/556608051.db2.gz FOXCSHFEWZTZPU-UHFFFAOYSA-N 0 0 434.845 5.601 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000016448119 556608409 /nfs/dbraw/zinc/60/84/09/556608409.db2.gz DNWSCIIFZJCIAK-UHFFFAOYSA-N 0 0 428.532 6.004 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000032995693 556611005 /nfs/dbraw/zinc/61/10/05/556611005.db2.gz OCMYLAFKGZZYLP-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN Cc1cc(Sc2ccccc2NC(=O)c2cccs2)n2nc(-c3ccccc3)nc2n1 ZINC000032995790 556611254 /nfs/dbraw/zinc/61/12/54/556611254.db2.gz GYCREXUSTSEILM-UHFFFAOYSA-N 0 0 443.557 5.565 50 0 IKAARN Cc1ccccc1NC(=O)Nc1cccc(-c2noc(-c3ccc(Br)o3)n2)c1 ZINC000032996503 556611905 /nfs/dbraw/zinc/61/19/05/556611905.db2.gz NDFCGLRQLMBGLW-UHFFFAOYSA-N 0 0 439.269 5.712 50 0 IKAARN COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000016488445 556612086 /nfs/dbraw/zinc/61/20/86/556612086.db2.gz ADQMZTIFQYJPEA-UHFFFAOYSA-N 0 0 435.487 5.118 50 0 IKAARN CC1(C)C[C@@H](NC(=O)CCC2CCCCC2)C[C@@](C)(CNC(=O)CCC2CCCCC2)C1 ZINC000038193945 556612392 /nfs/dbraw/zinc/61/23/92/556612392.db2.gz ISCATKGXTNHYCZ-UFHPHHKVSA-N 0 0 446.720 6.525 50 0 IKAARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000016492082 556612547 /nfs/dbraw/zinc/61/25/47/556612547.db2.gz CRBSXOGTWLGECB-UHFFFAOYSA-N 0 0 425.340 6.579 50 0 IKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546953 556613941 /nfs/dbraw/zinc/61/39/41/556613941.db2.gz PIDPWWQKEFSWAY-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN CSc1ccc([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547015 556613950 /nfs/dbraw/zinc/61/39/50/556613950.db2.gz IKVZGTDWIBFNMN-JOCHJYFZSA-N 0 0 449.601 6.529 50 0 IKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546959 556613978 /nfs/dbraw/zinc/61/39/78/556613978.db2.gz NDNVVWGLXFQNER-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN CCOc1ccc([C@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547010 556614022 /nfs/dbraw/zinc/61/40/22/556614022.db2.gz BCCIZHGTBCAXEN-QHCPKHFHSA-N 0 0 447.560 6.205 50 0 IKAARN Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)n1 ZINC000038547410 556614331 /nfs/dbraw/zinc/61/43/31/556614331.db2.gz MELFJXAEQWTMHO-HSZRJFAPSA-N 0 0 444.560 5.772 50 0 IKAARN O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1cccc(Cl)c1 ZINC000016525659 556614367 /nfs/dbraw/zinc/61/43/67/556614367.db2.gz MNPVFBVVHDGTFU-UHFFFAOYSA-N 0 0 428.922 5.301 50 0 IKAARN Cc1ccnc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)c1 ZINC000038547408 556614345 /nfs/dbraw/zinc/61/43/45/556614345.db2.gz UVBHNBIOBAEYIH-HSZRJFAPSA-N 0 0 444.560 5.772 50 0 IKAARN Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2)n1 ZINC000038551042 556614645 /nfs/dbraw/zinc/61/46/45/556614645.db2.gz WZSXJVAYIVWABB-XMMPIXPASA-N 0 0 443.572 6.377 50 0 IKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551021 556614672 /nfs/dbraw/zinc/61/46/72/556614672.db2.gz ZXMSIUHKFRCLHH-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN CCOc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2C)cc1 ZINC000038652115 556615384 /nfs/dbraw/zinc/61/53/84/556615384.db2.gz NBUUFELORNVCPY-UHFFFAOYSA-N 0 0 441.354 5.527 50 0 IKAARN COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SC/C=C/Cl)cc1Cl ZINC000097653174 556615751 /nfs/dbraw/zinc/61/57/51/556615751.db2.gz BUEVZTAAOGDGHZ-IRZDHIGESA-N 0 0 425.362 5.640 50 0 IKAARN CC(C)CCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCC(C)C)cc2)cc1 ZINC000016575129 556615794 /nfs/dbraw/zinc/61/57/94/556615794.db2.gz GOTCATMPIGQBAA-UHFFFAOYSA-N 0 0 440.584 6.857 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1c[nH]c2ccccc12)C1CCCCCC1 ZINC000004990837 556617236 /nfs/dbraw/zinc/61/72/36/556617236.db2.gz OWCZTICPFTZVMW-UHFFFAOYSA-N 0 0 426.029 7.052 50 0 IKAARN CC1CCN(Cn2nc(-c3cccc(Br)c3)n(-c3ccccc3)c2=S)CC1 ZINC000016609305 556617377 /nfs/dbraw/zinc/61/73/77/556617377.db2.gz CXCDKNKUNOSDIU-UHFFFAOYSA-N 0 0 443.414 5.522 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)c(Br)c3)cc2s1 ZINC000016637228 556618847 /nfs/dbraw/zinc/61/88/47/556618847.db2.gz RMGKULCLLROKBS-UHFFFAOYSA-N 0 0 448.342 5.058 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 ZINC000016638394 556619191 /nfs/dbraw/zinc/61/91/91/556619191.db2.gz KJVGVGBYVFPSMV-UHFFFAOYSA-N 0 0 426.651 6.448 50 0 IKAARN COc1ccccc1-c1nc2ccc(Br)cn2c1NC(C)(C)CC(C)(C)C ZINC000033651115 556619466 /nfs/dbraw/zinc/61/94/66/556619466.db2.gz AFZOKRVZGDQQLA-UHFFFAOYSA-N 0 0 430.390 6.399 50 0 IKAARN COc1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000016663398 556621164 /nfs/dbraw/zinc/62/11/64/556621164.db2.gz NEKKELQBWLQQHK-UHFFFAOYSA-N 0 0 449.721 6.160 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(F)c(F)c1)CC2 ZINC000016672236 556622083 /nfs/dbraw/zinc/62/20/83/556622083.db2.gz KPGUJBVJBJEBOP-XMMPIXPASA-N 0 0 429.894 5.783 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4ccsc4)C[C@@H]3c3ccc(F)cc3)n2)cc1C ZINC000016675822 556622382 /nfs/dbraw/zinc/62/23/82/556622382.db2.gz NCHBIBIZJHSPKR-HSZRJFAPSA-N 0 0 433.577 6.983 50 0 IKAARN CCOc1ccc(NC(=O)/C(=C\c2ccccc2Cl)NC(=O)c2ccc(C)cc2)cc1 ZINC000016675836 556622386 /nfs/dbraw/zinc/62/23/86/556622386.db2.gz OMRYYXPJABOLSX-XQNSMLJCSA-N 0 0 434.923 5.457 50 0 IKAARN COc1cc2c(cc1CN1CCc3cc(OC)c(OC)cc3C1)oc(C)c2-c1ccccc1 ZINC000016676398 556622391 /nfs/dbraw/zinc/62/23/91/556622391.db2.gz JWUKDFBNRFSUKU-UHFFFAOYSA-N 0 0 443.543 5.992 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1S[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000046552196 556622892 /nfs/dbraw/zinc/62/28/92/556622892.db2.gz IOHVQFZSVNIQKG-AWEZNQCLSA-N 0 0 428.508 5.795 50 0 IKAARN COc1ccccc1[C@@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@@H](C(C)C)C1 ZINC000005033387 556623215 /nfs/dbraw/zinc/62/32/15/556623215.db2.gz BDEBULATKWBYRH-FTJBHMTQSA-N 0 0 427.560 5.346 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1F ZINC000005031921 556623498 /nfs/dbraw/zinc/62/34/98/556623498.db2.gz KHFBTGSGQORUSE-BDYUSTAISA-N 0 0 425.588 6.036 50 0 IKAARN Cc1cc2nnc(S[C@@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)n2c2ccccc12 ZINC000033710435 556625366 /nfs/dbraw/zinc/62/53/66/556625366.db2.gz LCXQQCBKQWJKKC-AREMUKBSSA-N 0 0 448.551 6.389 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)CC(C)(C)C)C(C)(C)C)s1 ZINC000033713935 556625850 /nfs/dbraw/zinc/62/58/50/556625850.db2.gz PPXRZLJWGQZQOF-UHFFFAOYSA-N 0 0 446.632 5.788 50 0 IKAARN O[C@]1(c2cccs2)c2cccc(Cl)c2[C@](O)(c2cccs2)c2cccc(Cl)c21 ZINC000033716542 556626407 /nfs/dbraw/zinc/62/64/07/556626407.db2.gz CQLPZIXZXBMJOU-SZPZYZBQSA-N 0 0 445.392 5.998 50 0 IKAARN O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NCc1ccc(F)cc1 ZINC000033719092 556626432 /nfs/dbraw/zinc/62/64/32/556626432.db2.gz JPAZOPSBDBPSBY-UHFFFAOYSA-N 0 0 443.927 5.245 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1 ZINC000032998989 556627069 /nfs/dbraw/zinc/62/70/69/556627069.db2.gz HXKHEJOSVMPDIX-UHFFFAOYSA-N 0 0 441.556 5.507 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)n2)cc1 ZINC000032999009 556627310 /nfs/dbraw/zinc/62/73/10/556627310.db2.gz RUFBUHQYIRXFPS-IBGZPJMESA-N 0 0 441.556 5.183 50 0 IKAARN Cc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000033742438 556628637 /nfs/dbraw/zinc/62/86/37/556628637.db2.gz CKPFGKIPCCLIJI-SANMLTNESA-N 0 0 442.578 6.431 50 0 IKAARN CN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699207 556629181 /nfs/dbraw/zinc/62/91/81/556629181.db2.gz LNVWNKYTAICRJW-UHFFFAOYSA-N 0 0 426.969 5.066 50 0 IKAARN O=C(N[C@H]1CCSc2ccccc21)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016698983 556629261 /nfs/dbraw/zinc/62/92/61/556629261.db2.gz FKQZRLIRCASIJE-QHCPKHFHSA-N 0 0 430.573 5.045 50 0 IKAARN COc1cc2c(cc1NC(=O)CCCc1nc(-c3ccccc3)no1)oc1ccccc12 ZINC000016706017 556629787 /nfs/dbraw/zinc/62/97/87/556629787.db2.gz FTYPEVGVUVIXHE-UHFFFAOYSA-N 0 0 427.460 5.606 50 0 IKAARN Cc1nc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)sc1C ZINC000039762333 556629783 /nfs/dbraw/zinc/62/97/83/556629783.db2.gz HBJZTLQFNKRJFF-UHFFFAOYSA-N 0 0 427.555 5.076 50 0 IKAARN CCOc1ccc2c(c1)[C@H](SCC(=O)N1C[C@H](C)C[C@H](C)C1)CC1(CCCCC1)O2 ZINC000005065964 556629828 /nfs/dbraw/zinc/62/98/28/556629828.db2.gz FHSMBDPSZGZCQW-SELNLUPBSA-N 0 0 431.642 5.850 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C3=O ZINC000016736163 556633277 /nfs/dbraw/zinc/63/32/77/556633277.db2.gz UDEXSOQYGAQRLQ-HSZRJFAPSA-N 0 0 429.903 5.543 50 0 IKAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016736069 556633292 /nfs/dbraw/zinc/63/32/92/556633292.db2.gz MVILZYJUSXMWGR-XMMPIXPASA-N 0 0 440.499 5.507 50 0 IKAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016736154 556633358 /nfs/dbraw/zinc/63/33/58/556633358.db2.gz REYAFHNMGJQFRP-VWLOTQADSA-N 0 0 439.511 5.288 50 0 IKAARN CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000016736044 556633375 /nfs/dbraw/zinc/63/33/75/556633375.db2.gz DNSJRRPABIIHEX-XMMPIXPASA-N 0 0 440.499 5.507 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)nc1 ZINC000016737319 556633926 /nfs/dbraw/zinc/63/39/26/556633926.db2.gz MORLOXRRPDDXDS-FQEVSTJZSA-N 0 0 447.288 5.009 50 0 IKAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3ccccc3Cl)C2)cc1 ZINC000097938706 556634921 /nfs/dbraw/zinc/63/49/21/556634921.db2.gz FJOOOKJWLDJCNA-QGZVFWFLSA-N 0 0 447.926 5.239 50 0 IKAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3ccc(C)c(F)c3)C2)cc1 ZINC000097938702 556634933 /nfs/dbraw/zinc/63/49/33/556634933.db2.gz QGQIDARPGLETQV-IBGZPJMESA-N 0 0 445.498 5.033 50 0 IKAARN CCCCC1CCC(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000016741751 556635374 /nfs/dbraw/zinc/63/53/74/556635374.db2.gz IFNRTZNOGRXBSY-BOYUCYPVSA-N 0 0 433.658 5.322 50 0 IKAARN CSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)n1 ZINC000016741973 556635817 /nfs/dbraw/zinc/63/58/17/556635817.db2.gz YTPZFHBEJBSRRT-UHFFFAOYSA-N 0 0 441.871 5.221 50 0 IKAARN CCOc1ccc(CCn2c(CC34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1OCC ZINC000033797169 556636184 /nfs/dbraw/zinc/63/61/84/556636184.db2.gz VPPYNDCFJLBWHZ-UHFFFAOYSA-N 0 0 441.641 5.740 50 0 IKAARN CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n1 ZINC000016742466 556636269 /nfs/dbraw/zinc/63/62/69/556636269.db2.gz SOPHUWHYIXSERO-UHFFFAOYSA-N 0 0 439.990 5.001 50 0 IKAARN CN1c2ccc(Cl)cc2[C@@H]2c3ccccc3CCN2[C@@H]1c1ccc(Br)cc1 ZINC000033794342 556636398 /nfs/dbraw/zinc/63/63/98/556636398.db2.gz AMGMZTUVAGELMP-XZOQPEGZSA-N 0 0 439.784 6.199 50 0 IKAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000016749933 556636851 /nfs/dbraw/zinc/63/68/51/556636851.db2.gz RDTSIUBRUZALIF-DEOSSOPVSA-N 0 0 443.499 5.556 50 0 IKAARN CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 ZINC000016750268 556637061 /nfs/dbraw/zinc/63/70/61/556637061.db2.gz WFTLUCWRJFLDIW-UHFFFAOYSA-N 0 0 448.887 5.731 50 0 IKAARN Cc1c2cc(F)ccc2oc1C(=O)Oc1cc2sc(=O)oc2c(-c2ccc(C)cc2)c1 ZINC000016750287 556637093 /nfs/dbraw/zinc/63/70/93/556637093.db2.gz OQEXHOITUJZAAI-UHFFFAOYSA-N 0 0 434.444 6.243 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OCC)c1 ZINC000016751116 556637242 /nfs/dbraw/zinc/63/72/42/556637242.db2.gz YPIHILZJISDGLO-DEOSSOPVSA-N 0 0 449.547 5.572 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC ZINC000016751104 556637320 /nfs/dbraw/zinc/63/73/20/556637320.db2.gz JVYSRRWIBUZDQB-QHCPKHFHSA-N 0 0 435.520 5.326 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016751676 556637516 /nfs/dbraw/zinc/63/75/16/556637516.db2.gz LSAQAWFJUOQPFC-DEOSSOPVSA-N 0 0 425.484 5.931 50 0 IKAARN CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 ZINC000016751930 556637566 /nfs/dbraw/zinc/63/75/66/556637566.db2.gz YDFLLDSKJSUJLK-XMMPIXPASA-N 0 0 433.548 6.097 50 0 IKAARN COP(=O)(OC)c1nc(Cc2cccc3ccccc32)oc1NCc1ccc(C)cc1 ZINC000016752574 556637882 /nfs/dbraw/zinc/63/78/82/556637882.db2.gz VUVTUZDHKCGBLV-UHFFFAOYSA-N 0 0 436.448 5.450 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC)c(OCC)c1 ZINC000016751945 556637886 /nfs/dbraw/zinc/63/78/86/556637886.db2.gz ZGEKDBFBFBNGAJ-HSZRJFAPSA-N 0 0 435.520 5.326 50 0 IKAARN COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc(OC)c1OC ZINC000016758706 556639853 /nfs/dbraw/zinc/63/98/53/556639853.db2.gz GLTVCNKJBXASDQ-SBUREZEXSA-N 0 0 440.883 5.201 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1F ZINC000016766637 556640116 /nfs/dbraw/zinc/64/01/16/556640116.db2.gz LAOMUWKHSDXRLV-NSHDSACASA-N 0 0 439.990 5.884 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3nccnc3c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414680 556640171 /nfs/dbraw/zinc/64/01/71/556640171.db2.gz ZZAXFIVZIZMJCD-QHCPKHFHSA-N 0 0 437.503 5.015 50 0 IKAARN c1ccc(CSc2nc3c(c(N4CCCC4)n2)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000005150467 556642237 /nfs/dbraw/zinc/64/22/37/556642237.db2.gz CWZZPAKMKHBXJJ-UHFFFAOYSA-N 0 0 427.617 6.404 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc2c1CCCCCCCCCC2 ZINC000033850575 556642581 /nfs/dbraw/zinc/64/25/81/556642581.db2.gz LUOUNTJHJVDXCT-HNENSFHCSA-N 0 0 439.621 6.796 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c(C)c12 ZINC000005151981 556642901 /nfs/dbraw/zinc/64/29/01/556642901.db2.gz VPHFFBCYTYKMRN-UHFFFAOYSA-N 0 0 426.564 5.842 50 0 IKAARN Cc1ccc(N(C(=O)c2ccccc2F)C2CCN(Cc3c(F)cccc3F)CC2)cc1 ZINC000037560820 556643263 /nfs/dbraw/zinc/64/32/63/556643263.db2.gz VXDGSCXDERUMAY-UHFFFAOYSA-N 0 0 438.493 5.724 50 0 IKAARN CNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccc(C)cc1 ZINC000016804930 556643341 /nfs/dbraw/zinc/64/33/41/556643341.db2.gz BAJRFUUJQRITRZ-UNOMPAQXSA-N 0 0 429.303 5.079 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1cccc2ccccc21 ZINC000016805131 556643391 /nfs/dbraw/zinc/64/33/91/556643391.db2.gz BTLMSQTWNQKFAE-UHFFFAOYSA-N 0 0 446.557 5.532 50 0 IKAARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(Cl)c2)CC(=O)N1Cc1cc(F)cc(F)c1 ZINC000037576231 556643898 /nfs/dbraw/zinc/64/38/98/556643898.db2.gz SIYSBUGRSLXATH-FQEVSTJZSA-N 0 0 447.909 5.750 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016806129 556643963 /nfs/dbraw/zinc/64/39/63/556643963.db2.gz MSDIWRQNIGBXAP-XMMPIXPASA-N 0 0 440.499 5.262 50 0 IKAARN CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016806127 556643974 /nfs/dbraw/zinc/64/39/74/556643974.db2.gz MSDIWRQNIGBXAP-DEOSSOPVSA-N 0 0 440.499 5.262 50 0 IKAARN COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCc1ccccc1 ZINC000016806638 556644435 /nfs/dbraw/zinc/64/44/35/556644435.db2.gz NQBHBDDGERHPDW-UHFFFAOYSA-N 0 0 448.459 5.578 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCc3ccccc3)cc2)cc1 ZINC000037555351 556644419 /nfs/dbraw/zinc/64/44/19/556644419.db2.gz DQTIYVYHTOBTCZ-UHFFFAOYSA-N 0 0 448.566 5.701 50 0 IKAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCc1ccccc1 ZINC000037555764 556644445 /nfs/dbraw/zinc/64/44/45/556644445.db2.gz JMOCIYPGLMXOBG-UHFFFAOYSA-N 0 0 442.490 5.125 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000016807908 556644789 /nfs/dbraw/zinc/64/47/89/556644789.db2.gz FLWOMZVTHKJZPQ-UHFFFAOYSA-N 0 0 427.573 6.207 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000037557162 556645213 /nfs/dbraw/zinc/64/52/13/556645213.db2.gz SVEYUZCKCSQDNP-UHFFFAOYSA-N 0 0 448.566 6.332 50 0 IKAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)N(C)Cc2ccco2)cc1 ZINC000037557049 556645275 /nfs/dbraw/zinc/64/52/75/556645275.db2.gz GPLBZTFRQYLZDH-UHFFFAOYSA-N 0 0 444.575 5.513 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3C)C(=O)C3CCCC3)cc2)c1 ZINC000037556847 556645322 /nfs/dbraw/zinc/64/53/22/556645322.db2.gz REKCZOSLZHQEED-UHFFFAOYSA-N 0 0 440.587 6.208 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N3CCC(C)CC3)cc2)cc1 ZINC000037557123 556645357 /nfs/dbraw/zinc/64/53/57/556645357.db2.gz ZMKNDBTVXWMVOI-UHFFFAOYSA-N 0 0 440.587 5.643 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1cccc(Cl)c1 ZINC000016840613 556645507 /nfs/dbraw/zinc/64/55/07/556645507.db2.gz YOJQBQMOBUGRBS-UHFFFAOYSA-N 0 0 444.947 5.934 50 0 IKAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N(C)Cc3ccco3)cc2)c1 ZINC000037557821 556645567 /nfs/dbraw/zinc/64/55/67/556645567.db2.gz VTNDCAGTUGSHLX-UHFFFAOYSA-N 0 0 442.515 5.229 50 0 IKAARN Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000016840643 556645874 /nfs/dbraw/zinc/64/58/74/556645874.db2.gz ARLXTVIGKDCZQS-UHFFFAOYSA-N 0 0 442.519 5.728 50 0 IKAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1)NCc1ccccc1 ZINC000037600829 556646208 /nfs/dbraw/zinc/64/62/08/556646208.db2.gz VWNDVYAFNSJMLQ-UHFFFAOYSA-N 0 0 440.568 5.454 50 0 IKAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)C2CCCC2)c1)Nc1ccccc1 ZINC000037600704 556646214 /nfs/dbraw/zinc/64/62/14/556646214.db2.gz DVJDIUXBMGDFEA-UHFFFAOYSA-N 0 0 430.523 5.730 50 0 IKAARN Cc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)N(C)Cc3ccco3)c2)cc1 ZINC000037601480 556646384 /nfs/dbraw/zinc/64/63/84/556646384.db2.gz HXPXRJLJTKJCAD-UHFFFAOYSA-N 0 0 432.564 5.368 50 0 IKAARN Cc1ccc(CN(C(=O)/C=C/c2ccccc2)c2cccc(CC(=O)NCC(C)C)c2)cc1 ZINC000037601469 556646448 /nfs/dbraw/zinc/64/64/48/556646448.db2.gz NCNKHZYUKOALJR-WUKNDPDISA-N 0 0 440.587 5.556 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1C ZINC000016844932 556646604 /nfs/dbraw/zinc/64/66/04/556646604.db2.gz JLIOKEGVSUAXTP-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN CCn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(F)c1 ZINC000016845206 556646758 /nfs/dbraw/zinc/64/67/58/556646758.db2.gz ADNJMKPHTVUOFG-UHFFFAOYSA-N 0 0 439.537 5.015 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(-c3ccccc3)csc2c1=O ZINC000016845115 556646767 /nfs/dbraw/zinc/64/67/67/556646767.db2.gz LBKHCWAMPOXTJA-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(-c3ccccc3)csc2c1=O ZINC000016845112 556646891 /nfs/dbraw/zinc/64/68/91/556646891.db2.gz AFNJIJNRSZORHO-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1Cl ZINC000016846654 556647461 /nfs/dbraw/zinc/64/74/61/556647461.db2.gz KYVPYBWEMDKFNV-UHFFFAOYSA-N 0 0 441.965 5.046 50 0 IKAARN COc1ccc(C2(CNC(=O)C=C(c3ccccc3)c3ccccc3)CCCC2)cc1OC ZINC000016849061 556647472 /nfs/dbraw/zinc/64/74/72/556647472.db2.gz PEPIAIADSDJGSQ-UHFFFAOYSA-N 0 0 441.571 5.764 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCCO4)c2oc1-c1ccccc1 ZINC000011723636 556648486 /nfs/dbraw/zinc/64/84/86/556648486.db2.gz YJPIXQKZPUYYEJ-UHFFFAOYSA-N 0 0 427.456 5.182 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)c1 ZINC000016902552 556648833 /nfs/dbraw/zinc/64/88/33/556648833.db2.gz FKRDAJMCVZUYKZ-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000016944437 556649608 /nfs/dbraw/zinc/64/96/08/556649608.db2.gz AVIBQVYHMOXFCZ-HXUWFJFHSA-N 0 0 431.879 5.139 50 0 IKAARN COc1ccc2c(CC(=O)N[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1 ZINC000032925157 556649829 /nfs/dbraw/zinc/64/98/29/556649829.db2.gz SCQPOBDCIHNKOW-QGZVFWFLSA-N 0 0 428.488 5.114 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccc([C@H](C)CC)cc3)s2)cc1 ZINC000016945776 556649898 /nfs/dbraw/zinc/64/98/98/556649898.db2.gz PBLFNJXRFKONOW-OAHLLOKOSA-N 0 0 426.542 5.673 50 0 IKAARN COc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954263 556650156 /nfs/dbraw/zinc/65/01/56/556650156.db2.gz VLDZNAFYGKPEEN-UHFFFAOYSA-N 0 0 436.519 5.222 50 0 IKAARN O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CC[C@H](c3ccccc3)C[C@@H]12 ZINC000016957233 556650605 /nfs/dbraw/zinc/65/06/05/556650605.db2.gz XIEPITOOPZYXGG-LAUBAEHRSA-N 0 0 438.365 5.066 50 0 IKAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](Cc4ccccc4)C[C@@H]32)C(=O)C1 ZINC000016957434 556650635 /nfs/dbraw/zinc/65/06/35/556650635.db2.gz WGENJQBZVYXURO-AUSIDOKSSA-N 0 0 435.995 5.668 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2S[C@H](c2ccco2)CC1=O ZINC000016959558 556650947 /nfs/dbraw/zinc/65/09/47/556650947.db2.gz MLYLPNDMYUCTQK-FQEVSTJZSA-N 0 0 442.924 5.150 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2S[C@@H](c2ccco2)CC1=O ZINC000016959560 556650988 /nfs/dbraw/zinc/65/09/88/556650988.db2.gz MLYLPNDMYUCTQK-HXUWFJFHSA-N 0 0 442.924 5.150 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000247975426 556651357 /nfs/dbraw/zinc/65/13/57/556651357.db2.gz CTNCNQBZFNHOCS-OWWOZPERSA-N 0 0 449.620 5.379 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccccc1F ZINC000011757750 556651777 /nfs/dbraw/zinc/65/17/77/556651777.db2.gz AFUNQKOZKIKBHB-UHFFFAOYSA-N 0 0 429.904 5.188 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C)c1ccc(-c2ccccc2)cc1 ZINC000010616887 556652042 /nfs/dbraw/zinc/65/20/42/556652042.db2.gz WLZOPRVXXSVCOS-QGZVFWFLSA-N 0 0 446.551 5.258 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C)c1ccc(-c2ccccc2)cc1 ZINC000010616881 556652080 /nfs/dbraw/zinc/65/20/80/556652080.db2.gz WLZOPRVXXSVCOS-KRWDZBQOSA-N 0 0 446.551 5.258 50 0 IKAARN COc1ccc(C2(C(=O)NCCC(c3ccccc3)c3ccccc3)CCOCC2)cc1 ZINC000016985552 556652106 /nfs/dbraw/zinc/65/21/06/556652106.db2.gz NUEPTESASRWGOL-UHFFFAOYSA-N 0 0 429.560 5.082 50 0 IKAARN CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1cccnc1 ZINC000032925250 556652478 /nfs/dbraw/zinc/65/24/78/556652478.db2.gz ICJUTDOYCGYHSY-XMMPIXPASA-N 0 0 440.934 5.956 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccc(F)cc2)o1 ZINC000032925239 556652481 /nfs/dbraw/zinc/65/24/81/556652481.db2.gz IEJBHLYESKCJPS-IBGZPJMESA-N 0 0 427.273 5.481 50 0 IKAARN CCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000005155748 556652517 /nfs/dbraw/zinc/65/25/17/556652517.db2.gz XMQSCFMDPFBBLF-IRXDYDNUSA-N 0 0 426.561 5.161 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1 ZINC000011758397 556652745 /nfs/dbraw/zinc/65/27/45/556652745.db2.gz ZRPRTFCKYLFDTG-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN CCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000005155753 556652755 /nfs/dbraw/zinc/65/27/55/556652755.db2.gz XMQSCFMDPFBBLF-SJORKVTESA-N 0 0 426.561 5.161 50 0 IKAARN CCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000005155756 556652983 /nfs/dbraw/zinc/65/29/83/556652983.db2.gz XMQSCFMDPFBBLF-IAGOWNOFSA-N 0 0 426.561 5.161 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(Cl)c1 ZINC000032999429 556653038 /nfs/dbraw/zinc/65/30/38/556653038.db2.gz UEPSTNFDBQPVAK-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000038651825 556653676 /nfs/dbraw/zinc/65/36/76/556653676.db2.gz RIYSGGHJOIOYBD-UHFFFAOYSA-N 0 0 436.920 5.883 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000033000007 556653796 /nfs/dbraw/zinc/65/37/96/556653796.db2.gz VGBZRLLFENMKHU-UHFFFAOYSA-N 0 0 428.561 5.708 50 0 IKAARN COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)Nc4ccccc4C)s3)c2C)cc1 ZINC000033000045 556653964 /nfs/dbraw/zinc/65/39/64/556653964.db2.gz XDUWLPOAMBHNHU-UHFFFAOYSA-N 0 0 446.576 5.414 50 0 IKAARN CC(C)CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1 ZINC000033000628 556654003 /nfs/dbraw/zinc/65/40/03/556654003.db2.gz VMLJGJNHPQELJG-UHFFFAOYSA-N 0 0 433.986 5.665 50 0 IKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 ZINC000033000790 556654270 /nfs/dbraw/zinc/65/42/70/556654270.db2.gz MOYYHKFYVDXTSJ-UHFFFAOYSA-N 0 0 427.595 5.773 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)cc1 ZINC000033000478 556654283 /nfs/dbraw/zinc/65/42/83/556654283.db2.gz DYKAXYLMFHXSTO-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN O=C(COc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 ZINC000033000398 556654317 /nfs/dbraw/zinc/65/43/17/556654317.db2.gz IEWGPXYOZPJMGQ-UHFFFAOYSA-N 0 0 449.557 5.045 50 0 IKAARN O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 ZINC000033000433 556654331 /nfs/dbraw/zinc/65/43/31/556654331.db2.gz BKYMUOGVVIXOOQ-UHFFFAOYSA-N 0 0 447.585 5.598 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000017056669 556654611 /nfs/dbraw/zinc/65/46/11/556654611.db2.gz WCYYXMVPPZMWSF-UHFFFAOYSA-N 0 0 448.162 6.387 50 0 IKAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)csc2n1 ZINC000011768218 556654763 /nfs/dbraw/zinc/65/47/63/556654763.db2.gz XEIYMFUNCKNXLA-UHFFFAOYSA-N 0 0 429.423 5.003 50 0 IKAARN COc1cc(NC(=O)Nc2ccccc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008620 556656182 /nfs/dbraw/zinc/65/61/82/556656182.db2.gz LQMLALPKOISZLR-UHFFFAOYSA-N 0 0 432.505 5.510 50 0 IKAARN COc1cc(NC(=O)Nc2cccc(C)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008635 556656230 /nfs/dbraw/zinc/65/62/30/556656230.db2.gz QOANGZSFJSXCCY-UHFFFAOYSA-N 0 0 432.505 5.510 50 0 IKAARN COc1cccc(NC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCC2)c1 ZINC000033009163 556656242 /nfs/dbraw/zinc/65/62/42/556656242.db2.gz LPPKMPROEQTWNX-UHFFFAOYSA-N 0 0 444.535 5.500 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(OC)c1 ZINC000033008640 556656279 /nfs/dbraw/zinc/65/62/79/556656279.db2.gz SUGVDVJFIMQNSZ-UHFFFAOYSA-N 0 0 446.532 5.764 50 0 IKAARN CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1 ZINC000033007528 556656439 /nfs/dbraw/zinc/65/64/39/556656439.db2.gz BFXHQIMGOGGBSM-UHFFFAOYSA-N 0 0 443.594 5.493 50 0 IKAARN O=C(Nc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1)c1ccccc1 ZINC000033007665 556656451 /nfs/dbraw/zinc/65/64/51/556656451.db2.gz SHYHDWNVEWLHQA-UHFFFAOYSA-N 0 0 443.937 5.003 50 0 IKAARN O=C(C[C@@H]1Nc2cccc3cccc(c32)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017084874 556656766 /nfs/dbraw/zinc/65/67/66/556656766.db2.gz GBTDVWCUDURXHF-KRWDZBQOSA-N 0 0 433.817 5.273 50 0 IKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2C)s1 ZINC000033008288 556657121 /nfs/dbraw/zinc/65/71/21/556657121.db2.gz WHRHGYXFIDIXAQ-UHFFFAOYSA-N 0 0 448.932 5.268 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000017085943 556657180 /nfs/dbraw/zinc/65/71/80/556657180.db2.gz SFVPUTHNERPBEZ-LHSJRXKWSA-N 0 0 440.996 6.667 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cccc(F)c3)c2)c1 ZINC000033009303 556657439 /nfs/dbraw/zinc/65/74/39/556657439.db2.gz WKSKYXJEUNDWDB-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN O=C(NCCc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000060310307 556657503 /nfs/dbraw/zinc/65/75/03/556657503.db2.gz UJHJXOSJOGECKL-UHFFFAOYSA-N 0 0 435.396 5.019 50 0 IKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(Cl)cc2Cl)n1 ZINC000017094296 556657544 /nfs/dbraw/zinc/65/75/44/556657544.db2.gz ZZGDNZRFIOYTPN-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN O=C(Nc1cccc(F)c1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCC1 ZINC000033009634 556657614 /nfs/dbraw/zinc/65/76/14/556657614.db2.gz YZLAOGXTONARSD-UHFFFAOYSA-N 0 0 432.499 5.712 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(NC(=O)Nc3ccccc3)c2)c1 ZINC000033009508 556657621 /nfs/dbraw/zinc/65/76/21/556657621.db2.gz UBOLCRADJTXTJG-UHFFFAOYSA-N 0 0 428.536 5.882 50 0 IKAARN O=C(Nc1ccccc1F)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCCC1 ZINC000033009694 556657632 /nfs/dbraw/zinc/65/76/32/556657632.db2.gz KVTFDVSLKMFAAR-UHFFFAOYSA-N 0 0 446.526 6.102 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009451 556657665 /nfs/dbraw/zinc/65/76/65/556657665.db2.gz DCINRGNPAZKYCO-UHFFFAOYSA-N 0 0 428.536 5.746 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCc4ccc(C(C)C)cc4)cc3)ncn2)c1 ZINC000033010705 556657673 /nfs/dbraw/zinc/65/76/73/556657673.db2.gz NQBDCCLCUYHXTK-UHFFFAOYSA-N 0 0 436.559 6.249 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009476 556657684 /nfs/dbraw/zinc/65/76/84/556657684.db2.gz IDNUMMOOXDQYEM-UHFFFAOYSA-N 0 0 444.535 5.500 50 0 IKAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nc2ccc(Br)cc2s1 ZINC000011807940 556657822 /nfs/dbraw/zinc/65/78/22/556657822.db2.gz BHRNDLWWDKJSKP-UHFFFAOYSA-N 0 0 446.301 5.424 50 0 IKAARN CCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017094789 556657849 /nfs/dbraw/zinc/65/78/49/556657849.db2.gz KJAFVLQJLGZUQP-BTCBHJBXSA-N 0 0 426.420 5.113 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)c1 ZINC000033009773 556657878 /nfs/dbraw/zinc/65/78/78/556657878.db2.gz CJTDSRCDSGXKKB-UHFFFAOYSA-N 0 0 446.526 5.939 50 0 IKAARN FC(F)(F)c1ccccc1NC(=S)Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000017094810 556657902 /nfs/dbraw/zinc/65/79/02/556657902.db2.gz UEISPKQQQSKFSD-UHFFFAOYSA-N 0 0 426.467 5.912 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)cc1C ZINC000033009771 556657969 /nfs/dbraw/zinc/65/79/69/556657969.db2.gz HMXCNEAQUFHYMG-UHFFFAOYSA-N 0 0 446.526 5.939 50 0 IKAARN CCOc1ccc(-n2c(SC[C@H](O)c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000011811436 556658225 /nfs/dbraw/zinc/65/82/25/556658225.db2.gz ZZSOKTMVCVEKTR-QHCPKHFHSA-N 0 0 447.560 5.167 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1 ZINC000033010484 556658388 /nfs/dbraw/zinc/65/83/88/556658388.db2.gz RQNXSERXTPWJQU-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 ZINC000017095325 556658593 /nfs/dbraw/zinc/65/85/93/556658593.db2.gz YBVIYPHVVCBOKB-UHFFFAOYSA-N 0 0 427.353 6.143 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 ZINC000017095172 556658609 /nfs/dbraw/zinc/65/86/09/556658609.db2.gz CIFYPDZGRDDWLX-UHFFFAOYSA-N 0 0 426.903 7.116 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010649 556658701 /nfs/dbraw/zinc/65/87/01/556658701.db2.gz NPXOHIZEIGEEKO-UHFFFAOYSA-N 0 0 426.545 5.539 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033010666 556658712 /nfs/dbraw/zinc/65/87/12/556658712.db2.gz YFGCXPAXPDTYLQ-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)c1 ZINC000033010819 556658801 /nfs/dbraw/zinc/65/88/01/556658801.db2.gz HPDOSFURAYXITA-LJQANCHMSA-N 0 0 438.531 5.695 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1Cl ZINC000033010892 556658806 /nfs/dbraw/zinc/65/88/06/556658806.db2.gz BOIYVKNTEBZHPY-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033010897 556658868 /nfs/dbraw/zinc/65/88/68/556658868.db2.gz YBSKSXGGPDZOQG-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ncn2)cc1 ZINC000033010846 556658872 /nfs/dbraw/zinc/65/88/72/556658872.db2.gz QYJBUPIENPCASM-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1N1C(=O)c2ccccc2C1=O ZINC000042784390 556658876 /nfs/dbraw/zinc/65/88/76/556658876.db2.gz VBKNJVVWFGNLRG-UHFFFAOYSA-N 0 0 447.390 5.146 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)NCc3ccccc3)c2)c1 ZINC000033009236 556658885 /nfs/dbraw/zinc/65/88/85/556658885.db2.gz RIJLLGQENOIZTA-UHFFFAOYSA-N 0 0 428.536 5.169 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCc4ccccc4Cl)cc3)ncn2)cc1 ZINC000033010835 556658895 /nfs/dbraw/zinc/65/88/95/556658895.db2.gz GTZFSBFUAUVPMC-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1-c1ccc(Cc2ccncc2)cc1 ZINC000017095541 556659000 /nfs/dbraw/zinc/65/90/00/556659000.db2.gz RKPRVPLOZSHPOY-UHFFFAOYSA-N 0 0 427.554 5.389 50 0 IKAARN CCc1c(C)scc1C(=O)Nn1c(=O)c2cc(-c3ccccc3)sc2[nH]c1=S ZINC000017095569 556659024 /nfs/dbraw/zinc/65/90/24/556659024.db2.gz VSVDFVGKFJJRBX-UHFFFAOYSA-N 0 0 427.576 5.104 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)s1 ZINC000017095558 556659049 /nfs/dbraw/zinc/65/90/49/556659049.db2.gz BIAGAHGFHRCSSY-UHFFFAOYSA-N 0 0 427.573 5.230 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010905 556659100 /nfs/dbraw/zinc/65/91/00/556659100.db2.gz YXSNMAMBLFAJKT-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN CCCOc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033010944 556659176 /nfs/dbraw/zinc/65/91/76/556659176.db2.gz QFOKAIODPWTRLP-UHFFFAOYSA-N 0 0 438.531 5.606 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1Cl ZINC000033010715 556659194 /nfs/dbraw/zinc/65/91/94/556659194.db2.gz MRKGHIBHPNATPA-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2cccc(OC)c2)c1-c1cccc(OC)c1 ZINC000017095925 556659534 /nfs/dbraw/zinc/65/95/34/556659534.db2.gz FBFQLVQFEBKNIV-UHFFFAOYSA-N 0 0 428.532 5.854 50 0 IKAARN CCc1ccc([C@H](C)NC(=O)Cc2csc(COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000033011747 556659586 /nfs/dbraw/zinc/65/95/86/556659586.db2.gz GSCRUJFOAYASIJ-INIZCTEOSA-N 0 0 428.985 5.666 50 0 IKAARN CCOC(=O)c1c(NC(=S)N2CCc3ccccc3C2)sc2c1CCCCCC2 ZINC000017096136 556659740 /nfs/dbraw/zinc/65/97/40/556659740.db2.gz LKIJGPZAHYQODV-UHFFFAOYSA-N 0 0 428.623 5.339 50 0 IKAARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C(c1ccccc1)c1ccccc1 ZINC000011847404 556660149 /nfs/dbraw/zinc/66/01/49/556660149.db2.gz NVJNHABGSHZSPP-UHFFFAOYSA-N 0 0 445.396 6.949 50 0 IKAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000017096359 556660170 /nfs/dbraw/zinc/66/01/70/556660170.db2.gz UCQKWHKGLZBODD-INIZCTEOSA-N 0 0 429.347 5.263 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c3ccccc3n2)cc1 ZINC000017096548 556660180 /nfs/dbraw/zinc/66/01/80/556660180.db2.gz SVOPKJAQHQMRIO-UHFFFAOYSA-N 0 0 429.523 6.448 50 0 IKAARN COc1ccc(Cl)cc1N1C(=S)N=NC1CSCc1ccc(F)cc1Cl ZINC000017096783 556660680 /nfs/dbraw/zinc/66/06/80/556660680.db2.gz QBNJTBPIKMADKF-UHFFFAOYSA-N 0 0 430.357 5.444 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 ZINC000100748067 556661058 /nfs/dbraw/zinc/66/10/58/556661058.db2.gz OMDXLDUEOJWXPD-YIXXDRMTSA-N 0 0 428.532 5.677 50 0 biogenic IKAARN Cc1cc([C@H](Nc2ccccn2)c2cccc(Cl)c2)c(NC(=O)c2ccccc2)s1 ZINC000043220757 556661395 /nfs/dbraw/zinc/66/13/95/556661395.db2.gz NVZMVCALQXHURJ-JOCHJYFZSA-N 0 0 433.964 6.559 50 0 IKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1ccc(Cl)cc1 ZINC000017097311 556661407 /nfs/dbraw/zinc/66/14/07/556661407.db2.gz FGJOOUPXVRGNIJ-UHFFFAOYSA-N 0 0 430.982 5.384 50 0 IKAARN COC(=O)c1cccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)c1 ZINC000017097266 556661479 /nfs/dbraw/zinc/66/14/79/556661479.db2.gz YWOVDRUKHSTVQD-UHFFFAOYSA-N 0 0 430.935 6.322 50 0 IKAARN CC[C@H](NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000017097274 556661518 /nfs/dbraw/zinc/66/15/18/556661518.db2.gz JBPHPGIIBYURDY-WGERFFLFSA-N 0 0 430.951 6.167 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccc(Cl)cc1 ZINC000017097305 556661525 /nfs/dbraw/zinc/66/15/25/556661525.db2.gz BLUYGVNEKMKUQI-UHFFFAOYSA-N 0 0 430.982 5.732 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000017097539 556661678 /nfs/dbraw/zinc/66/16/78/556661678.db2.gz ZTKRRWJLWKOTOP-UHFFFAOYSA-N 0 0 431.517 5.404 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)c3ccccc3n2)cc1C ZINC000017097388 556661726 /nfs/dbraw/zinc/66/17/26/556661726.db2.gz CVDLWCAHVJSPQX-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000017097801 556662314 /nfs/dbraw/zinc/66/23/14/556662314.db2.gz SGUMXXFCGIJWAC-UHFFFAOYSA-N 0 0 432.298 6.583 50 0 IKAARN Cc1cc(C)nc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000017097814 556662331 /nfs/dbraw/zinc/66/23/31/556662331.db2.gz JENWORKDWIZZEK-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000033013107 556662395 /nfs/dbraw/zinc/66/23/95/556662395.db2.gz TYPRLDRFVMVAJD-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cccc(Oc2ccccc2)c1 ZINC000011852784 556662661 /nfs/dbraw/zinc/66/26/61/556662661.db2.gz ARGHUASKRXUGBQ-UHFFFAOYSA-N 0 0 429.526 6.464 50 0 IKAARN Cc1ccc(-c2csc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000011852719 556662670 /nfs/dbraw/zinc/66/26/70/556662670.db2.gz MHFVHRUGDYSSEF-UHFFFAOYSA-N 0 0 444.006 6.113 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000017098198 556662797 /nfs/dbraw/zinc/66/27/97/556662797.db2.gz QPYZNUWHVCFTAD-UHFFFAOYSA-N 0 0 432.863 5.545 50 0 IKAARN Cc1ccc(-c2cc(C3N=NC(=S)N3Cc3ccc(Cl)cc3)c3ccccc3n2)o1 ZINC000017098257 556663017 /nfs/dbraw/zinc/66/30/17/556663017.db2.gz MUMZVURCMANQNL-UHFFFAOYSA-N 0 0 432.936 6.052 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NCc3cnn(C)c3C)c3ccc(Cl)c(C)c3n2)cc1 ZINC000017098277 556663027 /nfs/dbraw/zinc/66/30/27/556663027.db2.gz ZIINZZDSKUSJTI-UHFFFAOYSA-N 0 0 432.955 5.398 50 0 IKAARN Cc1ccccc1CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)CCCC3 ZINC000017098622 556663482 /nfs/dbraw/zinc/66/34/82/556663482.db2.gz LTQLBXNHECPBHH-UHFFFAOYSA-N 0 0 433.602 5.381 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)Nc3nc4c(s3)CCCC4)cc(-c3ccccc3)nc12 ZINC000017098711 556663497 /nfs/dbraw/zinc/66/34/97/556663497.db2.gz RGKDSMYNFGHRID-UHFFFAOYSA-N 0 0 433.964 6.451 50 0 IKAARN CCn1ncc(CN(C)C(=O)c2cc(-c3ccccn3)nc3c(C)c(Cl)ccc23)c1C ZINC000017098699 556663534 /nfs/dbraw/zinc/66/35/34/556663534.db2.gz JPIVKKGYDBWEOC-UHFFFAOYSA-N 0 0 433.943 5.056 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)OCc1ccc(F)cc1 ZINC000033013989 556664047 /nfs/dbraw/zinc/66/40/47/556664047.db2.gz FJXBOCXHCZYDLA-UHFFFAOYSA-N 0 0 440.927 5.713 50 0 IKAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000017099203 556664506 /nfs/dbraw/zinc/66/45/06/556664506.db2.gz OBMKRCDPIUHADM-UHFFFAOYSA-N 0 0 434.776 6.089 50 0 IKAARN Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1C ZINC000017099437 556664670 /nfs/dbraw/zinc/66/46/70/556664670.db2.gz XHBAOQCMQIWRNG-UHFFFAOYSA-N 0 0 435.354 7.386 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000017099441 556664722 /nfs/dbraw/zinc/66/47/22/556664722.db2.gz IAGAMWXFEYLYBE-UHFFFAOYSA-N 0 0 435.354 6.755 50 0 IKAARN COc1ccc(N2C(=S)N=NC2c2ccc(COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000017099641 556664895 /nfs/dbraw/zinc/66/48/95/556664895.db2.gz FZZMLVHIRBNXRA-UHFFFAOYSA-N 0 0 435.549 5.835 50 0 IKAARN CCn1c(CCCOc2ccc(Cl)cc2C)nnc1SCc1ccc(Cl)cc1 ZINC000017100046 556665187 /nfs/dbraw/zinc/66/51/87/556665187.db2.gz VTSYRSJPZOJQKO-UHFFFAOYSA-N 0 0 436.408 6.217 50 0 IKAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000017099864 556665259 /nfs/dbraw/zinc/66/52/59/556665259.db2.gz VTFNLMKTFTUURP-UHFFFAOYSA-N 0 0 435.955 5.194 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)nc1-c1ccccc1 ZINC000017100492 556665424 /nfs/dbraw/zinc/66/54/24/556665424.db2.gz MGGFSTCVATYQQY-UHFFFAOYSA-N 0 0 436.540 6.289 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc(-c4cccnc4)nc4c(C)cccc34)CC2)c1C ZINC000017100548 556665494 /nfs/dbraw/zinc/66/54/94/556665494.db2.gz KDVOZFSXFXAVGE-UHFFFAOYSA-N 0 0 436.559 5.184 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1C ZINC000033018581 556665527 /nfs/dbraw/zinc/66/55/27/556665527.db2.gz LFRCGXLOIKEUBM-UHFFFAOYSA-N 0 0 430.939 5.579 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)Nc3ccccc3)cc2s1 ZINC000033018271 556665529 /nfs/dbraw/zinc/66/55/29/556665529.db2.gz PTBKJKBTJZBJCS-UHFFFAOYSA-N 0 0 448.573 5.980 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)c(C)s2)cc1 ZINC000017100755 556665718 /nfs/dbraw/zinc/66/57/18/556665718.db2.gz NHKMCEOGFFWWGB-UHFFFAOYSA-N 0 0 436.621 7.138 50 0 IKAARN COc1cc(OC)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(OC)c1 ZINC000044069021 556665808 /nfs/dbraw/zinc/66/58/08/556665808.db2.gz NTHFAYYJLKWDAE-UHFFFAOYSA-N 0 0 440.564 7.152 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3cc(Cl)ccc3n2)c(C)c1 ZINC000017100910 556665885 /nfs/dbraw/zinc/66/58/85/556665885.db2.gz BFMHJHVHWPNZMS-UHFFFAOYSA-N 0 0 436.939 5.151 50 0 IKAARN CCc1c(C)sc(NC(=O)c2c(Cl)cnn2C)c1C(=O)Nc1ccc(Cl)cc1 ZINC000017101177 556665888 /nfs/dbraw/zinc/66/58/88/556665888.db2.gz VVYKJXZAVYDVGT-UHFFFAOYSA-N 0 0 437.352 5.164 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2cccc(Cl)c2C)sc2c1CCCCCC2 ZINC000017101027 556665899 /nfs/dbraw/zinc/66/58/99/556665899.db2.gz ZPHCRPFHWHWCPZ-UHFFFAOYSA-N 0 0 437.030 6.355 50 0 IKAARN COc1ccc(-c2csc(-n3nc(-c4cccc(C)c4)cc3-c3cccc(C)c3)n2)cc1 ZINC000017101582 556666114 /nfs/dbraw/zinc/66/61/14/556666114.db2.gz VOOPETGNXKSXTF-UHFFFAOYSA-N 0 0 437.568 6.955 50 0 IKAARN Cc1c2cc(OCC(=O)OC(C)(C)C)ccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000011866275 556666174 /nfs/dbraw/zinc/66/61/74/556666174.db2.gz LSOLFOWFGCQKAN-UHFFFAOYSA-N 0 0 445.309 5.251 50 0 IKAARN COc1ccccc1Oc1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O ZINC000011866301 556666226 /nfs/dbraw/zinc/66/62/26/556666226.db2.gz YANDKVWRPOXOQO-UHFFFAOYSA-N 0 0 428.488 5.846 50 0 IKAARN COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O ZINC000011866360 556666460 /nfs/dbraw/zinc/66/64/60/556666460.db2.gz ZYXFQYNYXRQITB-UHFFFAOYSA-N 0 0 439.870 6.403 50 0 IKAARN Cc1noc(-c2ccc(OCc3ccc(Br)cc3)cc2O)c1-c1ccccc1 ZINC000011866319 556666467 /nfs/dbraw/zinc/66/64/67/556666467.db2.gz VLBQHVGLWRNJFE-UHFFFAOYSA-N 0 0 436.305 6.364 50 0 IKAARN O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 ZINC000044198155 556666449 /nfs/dbraw/zinc/66/64/49/556666449.db2.gz VCNBGYGQOSZQSO-QHCPKHFHSA-N 0 0 441.449 5.668 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1c2cc(OC)ccc2oc1-c1ccc(OC)cc1 ZINC000011866442 556666483 /nfs/dbraw/zinc/66/64/83/556666483.db2.gz XUQUMQCWSGPGKA-UHFFFAOYSA-N 0 0 445.471 5.546 50 0 IKAARN Oc1cc(OCc2ccccc2)ccc1-c1ncncc1-c1ccc(Br)cc1 ZINC000011866388 556666617 /nfs/dbraw/zinc/66/66/17/556666617.db2.gz DSSDOIHKWUVMFV-UHFFFAOYSA-N 0 0 433.305 5.858 50 0 IKAARN COC(=O)[C@H](Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)c1ccccc1 ZINC000011866677 556666727 /nfs/dbraw/zinc/66/67/27/556666727.db2.gz LXXVXZGBKFHYKV-RUZDIDTESA-N 0 0 428.484 5.294 50 0 IKAARN Fc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2nc(-c3ccccc3)nn21 ZINC000100758052 556666802 /nfs/dbraw/zinc/66/68/02/556666802.db2.gz FRSUURJUJKHYIR-OAQYLSRUSA-N 0 0 447.311 5.903 50 0 IKAARN COC(=O)c1cccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 ZINC000017102774 556666898 /nfs/dbraw/zinc/66/68/98/556666898.db2.gz DCLBEPGSPOZGON-UHFFFAOYSA-N 0 0 438.861 5.984 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000261494990 556667171 /nfs/dbraw/zinc/66/71/71/556667171.db2.gz BAXLGCTZBATXGG-UHFFFAOYSA-N 0 0 436.865 5.798 50 0 IKAARN COc1ccccc1CNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O ZINC000011867554 556667543 /nfs/dbraw/zinc/66/75/43/556667543.db2.gz AVEGMLMKSJLODA-UHFFFAOYSA-N 0 0 447.531 5.321 50 0 IKAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 ZINC000017113646 556668068 /nfs/dbraw/zinc/66/80/68/556668068.db2.gz MZONZLZQNRLPBV-UHFFFAOYSA-N 0 0 432.549 5.259 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000017113644 556668171 /nfs/dbraw/zinc/66/81/71/556668171.db2.gz UMPJLMUJBXFXLG-UHFFFAOYSA-N 0 0 436.968 5.904 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4csc(NC(=O)C5CC5)n4)cc3)sc2c1 ZINC000017122195 556668313 /nfs/dbraw/zinc/66/83/13/556668313.db2.gz KYUCIXYEDIFCJW-UHFFFAOYSA-N 0 0 448.573 5.258 50 0 IKAARN COc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1 ZINC000017121246 556668423 /nfs/dbraw/zinc/66/84/23/556668423.db2.gz GKSAVCDWVGFNTD-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN Ic1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C2)cc1 ZINC000100766398 556668447 /nfs/dbraw/zinc/66/84/47/556668447.db2.gz BSUYEIQQKYFQOV-OAQYLSRUSA-N 0 0 449.295 5.697 50 0 IKAARN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@H](O)[C@@H]2[C@@H]1c1ccccc1OC ZINC000017124053 556668637 /nfs/dbraw/zinc/66/86/37/556668637.db2.gz ASEVQPKUGBNXIJ-RNJDCESWSA-N 0 0 448.607 6.233 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3cc(C)ccc3C(C)C)s2)cc1 ZINC000017124833 556668890 /nfs/dbraw/zinc/66/88/90/556668890.db2.gz UJPDJMMOMJCZQM-UHFFFAOYSA-N 0 0 426.542 5.592 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3)[C@H]1C ZINC000248144723 556668982 /nfs/dbraw/zinc/66/89/82/556668982.db2.gz GZNYZDBQRWBYNT-GQIGUUNPSA-N 0 0 426.557 5.019 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2C)cc1 ZINC000017146174 556669927 /nfs/dbraw/zinc/66/99/27/556669927.db2.gz JVZXABNYVMXQFF-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN FC(F)(F)c1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc4nccnc4c3)CC2)c1 ZINC000011911183 556670105 /nfs/dbraw/zinc/67/01/05/556670105.db2.gz PWENICUPGGRGCF-UHFFFAOYSA-N 0 0 437.469 5.418 50 0 IKAARN Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)S2)cc1 ZINC000017147648 556670286 /nfs/dbraw/zinc/67/02/86/556670286.db2.gz UVOVCYCROCDOQI-OAHLLOKOSA-N 0 0 441.862 5.106 50 0 aggregator IKAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 ZINC000017180504 556672052 /nfs/dbraw/zinc/67/20/52/556672052.db2.gz UDIWADYGDJMYMC-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cccnc2SCc2cccc(Br)c2)[C@H]1C ZINC000248166831 556672178 /nfs/dbraw/zinc/67/21/78/556672178.db2.gz RYRTWXGEVFVVKM-VCBZYWHSSA-N 0 0 433.415 5.691 50 0 IKAARN O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccccc1C(F)(F)F ZINC000017191846 556672339 /nfs/dbraw/zinc/67/23/39/556672339.db2.gz DRTIDTMIWRUVOK-UHFFFAOYSA-N 0 0 428.439 5.146 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@@H]3N2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000017196247 556672641 /nfs/dbraw/zinc/67/26/41/556672641.db2.gz ASRFVHXSSDGGPS-IRXDYDNUSA-N 0 0 433.343 5.027 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1cccc2ccccc21 ZINC000017197735 556672776 /nfs/dbraw/zinc/67/27/76/556672776.db2.gz ZHYCDPOQKOCTHY-YFDLUXDKSA-N 0 0 434.583 7.694 50 0 IKAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1ccccc1Oc1ccccc1 ZINC000017198342 556672796 /nfs/dbraw/zinc/67/27/96/556672796.db2.gz KUBUOMIXZLUKKI-OAQYLSRUSA-N 0 0 426.335 6.020 50 0 IKAARN CCc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 ZINC000011916295 556673106 /nfs/dbraw/zinc/67/31/06/556673106.db2.gz CWFXKXUNOWLAHC-UHFFFAOYSA-N 0 0 428.355 5.346 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2Cl)cc1Cl ZINC000011914366 556673888 /nfs/dbraw/zinc/67/38/88/556673888.db2.gz UGYKUDJLTPZBQL-RWEWTDSWSA-N 0 0 441.383 6.813 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3oc4ccccc4c3C(=O)c3ccccc3)no2)cc1 ZINC000011915061 556674087 /nfs/dbraw/zinc/67/40/87/556674087.db2.gz JXXNZLCGPMDVOV-UHFFFAOYSA-N 0 0 438.439 5.580 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccc(Br)cc1)O2 ZINC000017265230 556674271 /nfs/dbraw/zinc/67/42/71/556674271.db2.gz ZNTXVVJENFSVJT-XLIONFOSSA-N 0 0 445.769 6.406 50 0 IKAARN CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)c1 ZINC000011915529 556674345 /nfs/dbraw/zinc/67/43/45/556674345.db2.gz VYWRZKPIOBYFEP-UHFFFAOYSA-N 0 0 439.512 5.355 50 0 IKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cc(Cl)ccc3OC)cs2)c1C ZINC000033019318 556674383 /nfs/dbraw/zinc/67/43/83/556674383.db2.gz XZNQILGCVJHFIF-UHFFFAOYSA-N 0 0 447.004 5.522 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000017307859 556675094 /nfs/dbraw/zinc/67/50/94/556675094.db2.gz JTFXYQISOURKHZ-UHFFFAOYSA-N 0 0 438.940 5.179 50 0 IKAARN O=S(=O)(c1cccc(F)c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000033019450 556676356 /nfs/dbraw/zinc/67/63/56/556676356.db2.gz AWEDHMMXIDLXTR-HSZRJFAPSA-N 0 0 440.927 5.297 50 0 IKAARN Cc1nc(COc2cccc(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)c2)cs1 ZINC000032933128 556676503 /nfs/dbraw/zinc/67/65/03/556676503.db2.gz CYOZWZLGJMQEOF-UHFFFAOYSA-N 0 0 447.535 5.580 50 0 IKAARN O=C(Nc1cccc(N2CCNC2=O)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000032931815 556676588 /nfs/dbraw/zinc/67/65/88/556676588.db2.gz BSMVKOKIXQJLFJ-UHFFFAOYSA-N 0 0 425.410 5.154 50 0 IKAARN Cc1nc2cccnc2n1-c1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1Cl ZINC000032932239 556677071 /nfs/dbraw/zinc/67/70/71/556677071.db2.gz XRQPDKVYHWKYDN-UHFFFAOYSA-N 0 0 434.927 5.100 50 0 IKAARN COc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000100817215 556677062 /nfs/dbraw/zinc/67/70/62/556677062.db2.gz QWEXDKDKSIRARK-JOCHJYFZSA-N 0 0 449.341 6.317 50 0 IKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl ZINC000032932219 556677196 /nfs/dbraw/zinc/67/71/96/556677196.db2.gz XWZPULQUQJZTEW-UHFFFAOYSA-N 0 0 446.816 5.533 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000017445231 556677350 /nfs/dbraw/zinc/67/73/50/556677350.db2.gz FUTWXPSZLPRXIS-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(N3CCc4ccccc43)cc2)no1 ZINC000032933499 556677672 /nfs/dbraw/zinc/67/76/72/556677672.db2.gz CSKUKXWCMPFRQL-UHFFFAOYSA-N 0 0 442.544 5.617 50 0 IKAARN COc1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1OC ZINC000032936120 556678056 /nfs/dbraw/zinc/67/80/56/556678056.db2.gz OCXFNXLFGAUZOM-UHFFFAOYSA-N 0 0 430.913 5.232 50 0 IKAARN Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000032936199 556678563 /nfs/dbraw/zinc/67/85/63/556678563.db2.gz MJWTUOZXHZYQIO-UHFFFAOYSA-N 0 0 440.565 5.683 50 0 IKAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Br)cc3)n2)cn1 ZINC000044903221 556678693 /nfs/dbraw/zinc/67/86/93/556678693.db2.gz HXKVFXXZHNOUEK-UHFFFAOYSA-N 0 0 435.281 5.122 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)C2CCCC2)c1 ZINC000017724535 556678985 /nfs/dbraw/zinc/67/89/85/556678985.db2.gz GXAPBFIBEHYHFO-WOVHNISZSA-N 0 0 435.564 5.978 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@@H]4CCCC[C@@H]4c4sccc43)cc2)cc1 ZINC000017724519 556679016 /nfs/dbraw/zinc/67/90/16/556679016.db2.gz OIHIHXHRQAFSFC-WWNPGLIZSA-N 0 0 440.586 5.970 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)C2CCCC2)c1 ZINC000017724532 556679034 /nfs/dbraw/zinc/67/90/34/556679034.db2.gz GXAPBFIBEHYHFO-UZINWLIJSA-N 0 0 435.564 5.978 50 0 IKAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2cc(Cl)cc(Cl)c2)C1=O ZINC000017858854 556679756 /nfs/dbraw/zinc/67/97/56/556679756.db2.gz DUGZXAIJUHNJKT-CPNJWEJPSA-N 0 0 439.298 5.642 50 0 IKAARN COc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl ZINC000033326061 556680668 /nfs/dbraw/zinc/68/06/68/556680668.db2.gz ZBLUOJATVFEZGN-QGZVFWFLSA-N 0 0 443.956 5.041 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1 ZINC000017988517 556681258 /nfs/dbraw/zinc/68/12/58/556681258.db2.gz KARCJUPLQAHYHT-GPUOULLFSA-N 0 0 438.527 5.321 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)c(Br)c3)cs2)cc1 ZINC000033326387 556681959 /nfs/dbraw/zinc/68/19/59/556681959.db2.gz BRHZWCJQUAJSBJ-UHFFFAOYSA-N 0 0 431.355 5.283 50 0 IKAARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C(C(=O)OC)=C1C ZINC000000660228 556682262 /nfs/dbraw/zinc/68/22/62/556682262.db2.gz DKPJMJARSVAHDB-AWQFTUOYSA-N 0 0 445.346 5.260 50 0 IKAARN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000000681176 556682279 /nfs/dbraw/zinc/68/22/79/556682279.db2.gz AUIBSMVRJKNJQN-WZGTUUFSSA-N 0 0 440.543 5.528 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2onc3c2CCCC3)cc1C ZINC000426388102 556682488 /nfs/dbraw/zinc/68/24/88/556682488.db2.gz BAEKITOSGIREDL-RUZDIDTESA-N 0 0 441.531 5.140 50 0 IKAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003228600 556682745 /nfs/dbraw/zinc/68/27/45/556682745.db2.gz GSAKRFWPBXCHNB-UHFFFAOYSA-N 0 0 449.237 5.417 50 0 IKAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000018093721 556683848 /nfs/dbraw/zinc/68/38/48/556683848.db2.gz VRGNJIZZWYPPEZ-VWLOTQADSA-N 0 0 441.600 5.687 50 0 IKAARN Cc1ccc(COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000018093769 556683899 /nfs/dbraw/zinc/68/38/99/556683899.db2.gz CZQHOFMJVZACGI-XMMPIXPASA-N 0 0 443.572 5.006 50 0 IKAARN COc1cccc(OC)c1C(=O)NCC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 ZINC000018118983 556684495 /nfs/dbraw/zinc/68/44/95/556684495.db2.gz KNYXGOBZQAFZSY-LHUUVIGISA-N 0 0 433.592 5.589 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccccc2C(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000018142331 556684749 /nfs/dbraw/zinc/68/47/49/556684749.db2.gz SVEQQWOKSJIXTJ-SZPZYZBQSA-N 0 0 428.576 5.902 50 0 IKAARN CC(=O)Nc1nc2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)ccc2s1 ZINC000033020102 556684884 /nfs/dbraw/zinc/68/48/84/556684884.db2.gz XYQOZRUKEPEUQY-UHFFFAOYSA-N 0 0 438.512 5.722 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000033019925 556684910 /nfs/dbraw/zinc/68/49/10/556684910.db2.gz FGHJDVOZBFQFBH-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)c1cc(-c2cccs2)[nH]n1 ZINC000033020150 556684912 /nfs/dbraw/zinc/68/49/12/556684912.db2.gz APPNKRBTWNLGHE-UHFFFAOYSA-N 0 0 445.529 5.253 50 0 IKAARN CCCn1c(CCc2ccccc2NC(=O)Cc2c(F)cccc2Cl)nc2ccccc21 ZINC000033019764 556684916 /nfs/dbraw/zinc/68/49/16/556684916.db2.gz SYVXLKJRSBPJMV-UHFFFAOYSA-N 0 0 449.957 6.205 50 0 IKAARN Cc1ccc(NC(=O)CSc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000018142779 556684933 /nfs/dbraw/zinc/68/49/33/556684933.db2.gz KZIXEZFAPNDUQI-UHFFFAOYSA-N 0 0 434.948 5.888 50 0 IKAARN Cn1c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nnc1C1CCCC1 ZINC000018143511 556684986 /nfs/dbraw/zinc/68/49/86/556684986.db2.gz ZYXZZYFKWGNGDJ-UHFFFAOYSA-N 0 0 436.968 5.786 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1OC ZINC000033020163 556685049 /nfs/dbraw/zinc/68/50/49/556685049.db2.gz MCQDULXTUHRQOK-UHFFFAOYSA-N 0 0 439.537 5.085 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1OCC ZINC000033020557 556685312 /nfs/dbraw/zinc/68/53/12/556685312.db2.gz YQAXXLLECPKCCW-UHFFFAOYSA-N 0 0 443.547 5.408 50 0 IKAARN Cc1nc2ccccc2n1CCC(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C ZINC000033020606 556685658 /nfs/dbraw/zinc/68/56/58/556685658.db2.gz JTTVHNOZFDXZNI-UHFFFAOYSA-N 0 0 437.547 5.045 50 0 IKAARN Cc1cc(C)cc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)c1 ZINC000001922419 556685855 /nfs/dbraw/zinc/68/58/55/556685855.db2.gz WJEZRRVWHPSCES-XMOCTALESA-N 0 0 431.333 7.290 50 0 IKAARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000002026942 556685976 /nfs/dbraw/zinc/68/59/76/556685976.db2.gz JDEQYODCVVCOEX-JCMHNJIXSA-N 0 0 446.374 7.077 50 0 IKAARN N#CC1=C(N)OC2=C(CCC/C2=C/c2c(F)cccc2Cl)[C@@H]1c1c(F)cccc1Cl ZINC000002111567 556686144 /nfs/dbraw/zinc/68/61/44/556686144.db2.gz AGCYINWGHUZKCZ-ZZLBYYGFSA-N 0 0 445.296 6.601 50 0 IKAARN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000002174181 556686508 /nfs/dbraw/zinc/68/65/08/556686508.db2.gz HGAINDXZJVTMOM-ULJHMMPZSA-N 0 0 425.484 5.143 50 0 IKAARN CCOc1ccc(-c2noc(-c3ccc(CSCc4ccccc4Cl)o3)n2)cc1 ZINC000033021828 556686558 /nfs/dbraw/zinc/68/65/58/556686558.db2.gz LWWHERSNUMXWBZ-UHFFFAOYSA-N 0 0 426.925 6.482 50 0 IKAARN Cc1cccc(CSCc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)o2)c1 ZINC000033021796 556686572 /nfs/dbraw/zinc/68/65/72/556686572.db2.gz AHUXLCVMANEHRE-UHFFFAOYSA-N 0 0 430.451 6.757 50 0 IKAARN Fc1ccccc1CSCc1ccc(-c2nc(-c3ccc(Br)cc3)no2)o1 ZINC000033021859 556686579 /nfs/dbraw/zinc/68/65/79/556686579.db2.gz JMPOLSMHDGYZNZ-UHFFFAOYSA-N 0 0 445.313 6.332 50 0 IKAARN COc1cc(OC)cc(-c2noc(-c3ccc(CSCc4ccccc4Cl)o3)n2)c1 ZINC000033021839 556686607 /nfs/dbraw/zinc/68/66/07/556686607.db2.gz UHRZRXPHLNRCCG-UHFFFAOYSA-N 0 0 442.924 6.101 50 0 IKAARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000002174355 556686659 /nfs/dbraw/zinc/68/66/59/556686659.db2.gz WAQUQVBDXHPRPU-PCLIKHOPSA-N 0 0 446.591 5.716 50 0 IKAARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000002185468 556686669 /nfs/dbraw/zinc/68/66/69/556686669.db2.gz JMSLRTAKOIUHQT-PCLIKHOPSA-N 0 0 440.543 5.588 50 0 IKAARN Cc1ccccc1-c1noc(CSc2ccc(-c3ccc(Br)cc3)nn2)n1 ZINC000033022034 556686884 /nfs/dbraw/zinc/68/68/84/556686884.db2.gz VCQQCTHLFZHOTL-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN Cc1ccc(-c2noc(CSc3ccc(-c4ccc(Br)cc4)nn3)n2)cc1 ZINC000033022038 556686908 /nfs/dbraw/zinc/68/69/08/556686908.db2.gz KUOCARQAKUJUSP-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 ZINC000018210275 556687112 /nfs/dbraw/zinc/68/71/12/556687112.db2.gz KBBWNUBRZHPWHK-ZWKOTPCHSA-N 0 0 434.849 5.758 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)c1 ZINC000033021921 556687180 /nfs/dbraw/zinc/68/71/80/556687180.db2.gz VHXNSRQIUQWLNV-UHFFFAOYSA-N 0 0 448.857 6.158 50 0 IKAARN N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000002275345 556688056 /nfs/dbraw/zinc/68/80/56/556688056.db2.gz IZBUIOQDSMMMFM-KAMYIIQDSA-N 0 0 427.685 5.908 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Nc1ccc(Br)cc1 ZINC000018254475 556688502 /nfs/dbraw/zinc/68/85/02/556688502.db2.gz AGTNTLAPOCCDOY-UHFFFAOYSA-N 0 0 425.713 6.355 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncn(C[C@H](O)c3ccc(C(F)(F)F)cc3)c(=O)c12 ZINC000071949393 556688962 /nfs/dbraw/zinc/68/89/62/556688962.db2.gz RFLCZNPSGKVWFK-KRWDZBQOSA-N 0 0 430.451 5.186 50 0 IKAARN CCc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1 ZINC000046005303 556689387 /nfs/dbraw/zinc/68/93/87/556689387.db2.gz AACNCTNEEHUVLE-UHFFFAOYSA-N 0 0 438.556 5.843 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1C ZINC000046005889 556689816 /nfs/dbraw/zinc/68/98/16/556689816.db2.gz ZLFWIIOMHWVAJA-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)Nc1ccccc1C ZINC000046006175 556690061 /nfs/dbraw/zinc/69/00/61/556690061.db2.gz BMEPFFBQLGRISQ-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000046005952 556690098 /nfs/dbraw/zinc/69/00/98/556690098.db2.gz ZMHSYPGTFHYVRY-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1cccc(C)c1 ZINC000046006479 556690444 /nfs/dbraw/zinc/69/04/44/556690444.db2.gz KCALYLICFNSNNY-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000046006323 556690447 /nfs/dbraw/zinc/69/04/47/556690447.db2.gz GJSPWQYEGXPCEH-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000136627621 556690541 /nfs/dbraw/zinc/69/05/41/556690541.db2.gz LQJFIUWHNSEFRA-PWRODBHTSA-N 0 0 439.298 5.045 50 0 IKAARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000001013587 556690555 /nfs/dbraw/zinc/69/05/55/556690555.db2.gz CPWGCFCHCHUTTC-ZVHZXABRSA-N 0 0 444.531 5.177 50 0 IKAARN CCc1cccc(NC(=O)CCc2c(C)c3c(C)nn(-c4cccc(F)c4)c3nc2OC)c1 ZINC000046006800 556690949 /nfs/dbraw/zinc/69/09/49/556690949.db2.gz MJDDYKVPQJWMGG-UHFFFAOYSA-N 0 0 446.526 5.319 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2ccccc2)cc1OC ZINC000010646791 556691175 /nfs/dbraw/zinc/69/11/75/556691175.db2.gz YBECLTNMYJHOBB-IBGZPJMESA-N 0 0 438.574 5.235 50 0 IKAARN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000046106107 556691449 /nfs/dbraw/zinc/69/14/49/556691449.db2.gz JQNRVPAGEDMZSD-UHFFFAOYSA-N 0 0 435.531 5.207 50 0 IKAARN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137647643 556697794 /nfs/dbraw/zinc/69/77/94/556697794.db2.gz ZVBJMQNTKVGGNM-OYUWMTPXSA-N 0 0 448.522 5.453 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1 ZINC000033025100 556698290 /nfs/dbraw/zinc/69/82/90/556698290.db2.gz MNPNEAABGZILKR-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025321 556699313 /nfs/dbraw/zinc/69/93/13/556699313.db2.gz AXJBLLSHUWYURG-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025324 556699331 /nfs/dbraw/zinc/69/93/31/556699331.db2.gz JTWLAWFYUIALIX-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048513811 556700248 /nfs/dbraw/zinc/70/02/48/556700248.db2.gz AQNGVVFRKWHZFS-UHFFFAOYSA-N 0 0 427.835 5.063 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025415 556700784 /nfs/dbraw/zinc/70/07/84/556700784.db2.gz QJIJHGMZYSCXIL-UHFFFAOYSA-N 0 0 438.531 5.606 50 0 IKAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(Cl)cc3)nc12 ZINC000033026011 556701741 /nfs/dbraw/zinc/70/17/41/556701741.db2.gz PPHFAQSVLLHUEV-UHFFFAOYSA-N 0 0 435.936 5.201 50 0 IKAARN O=C(Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1F ZINC000033025875 556702063 /nfs/dbraw/zinc/70/20/63/556702063.db2.gz WQVIZJFMCAIZCK-UHFFFAOYSA-N 0 0 439.899 5.032 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000033025873 556702066 /nfs/dbraw/zinc/70/20/66/556702066.db2.gz VXTOHZFQKYOINU-UHFFFAOYSA-N 0 0 435.936 5.201 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314541 556702151 /nfs/dbraw/zinc/70/21/51/556702151.db2.gz CEMLVBJBRKJDJJ-JOCHJYFZSA-N 0 0 443.963 5.831 50 0 IKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3cccc4nccnc43)C2)cc1 ZINC000072314559 556702276 /nfs/dbraw/zinc/70/22/76/556702276.db2.gz QUNOUTVJOCJPCO-HSZRJFAPSA-N 0 0 439.544 5.187 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1 ZINC000033026576 556703446 /nfs/dbraw/zinc/70/34/46/556703446.db2.gz DBZFFJJWZOPDTG-UHFFFAOYSA-N 0 0 430.533 5.193 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@@H]1c1ccccc1C ZINC000072314639 556704128 /nfs/dbraw/zinc/70/41/28/556704128.db2.gz HQZHGPGOTBPKFK-RUZDIDTESA-N 0 0 435.527 5.510 50 0 IKAARN O=C(Nc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3)c1cccs1 ZINC000013630136 556705436 /nfs/dbraw/zinc/70/54/36/556705436.db2.gz UFCFTXUIHAPUNW-UHFFFAOYSA-N 0 0 427.481 6.009 50 0 IKAARN CC(C)c1c(C(=O)NCC(C)(C)c2ccccc2F)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000060338177 556708956 /nfs/dbraw/zinc/70/89/56/556708956.db2.gz YSDVOQDKBNUJOO-UHFFFAOYSA-N 0 0 448.464 5.256 50 0 IKAARN Cc1cc(-c2ccc(NC(=O)C3CCCCC3)c(C)c2)ccc1NC(=O)C1CCCCC1 ZINC000051492089 556712561 /nfs/dbraw/zinc/71/25/61/556712561.db2.gz WXKROXIGUNGUAY-UHFFFAOYSA-N 0 0 432.608 7.008 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033034805 556717126 /nfs/dbraw/zinc/71/71/26/556717126.db2.gz DFLBVTBGEKEPOW-RUZDIDTESA-N 0 0 432.608 5.721 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCC4)c3)C2)cc1 ZINC000033035078 556717326 /nfs/dbraw/zinc/71/73/26/556717326.db2.gz UZYRIWQHLTZHFN-NRFANRHFSA-N 0 0 435.568 5.169 50 0 IKAARN CC(C)(C)C(=O)N[C@H](N(Cc1ccccc1)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000019228384 556717457 /nfs/dbraw/zinc/71/74/57/556717457.db2.gz USOJXADMFBVUAQ-GOSISDBHSA-N 0 0 427.803 5.547 50 0 IKAARN O=C(NCc1cccnc1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035260 556717729 /nfs/dbraw/zinc/71/77/29/556717729.db2.gz DEUQRNUWXIAPEQ-OAQYLSRUSA-N 0 0 448.954 5.077 50 0 IKAARN CC(C)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035367 556717785 /nfs/dbraw/zinc/71/77/85/556717785.db2.gz WEAQGGINKQCMAC-HXUWFJFHSA-N 0 0 427.976 5.527 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC(C)C)c3)C2)cc1 ZINC000033035137 556717800 /nfs/dbraw/zinc/71/78/00/556717800.db2.gz XZSPKRHHSKYSSS-JOCHJYFZSA-N 0 0 437.584 5.273 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035734 556718389 /nfs/dbraw/zinc/71/83/89/556718389.db2.gz YZZIJHIRDYBJLF-XMMPIXPASA-N 0 0 431.580 5.718 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035660 556718431 /nfs/dbraw/zinc/71/84/31/556718431.db2.gz VLJNYUTWXLZSBW-JOCHJYFZSA-N 0 0 447.966 5.682 50 0 IKAARN CCc1ccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)cc1 ZINC000033035862 556718672 /nfs/dbraw/zinc/71/86/72/556718672.db2.gz RORPSVQFHJNVOT-RUZDIDTESA-N 0 0 441.575 5.591 50 0 IKAARN O=C(NCCc1cccs1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035837 556718683 /nfs/dbraw/zinc/71/86/83/556718683.db2.gz JLLYAXORTHLTMA-NRFANRHFSA-N 0 0 433.577 5.132 50 0 IKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)c2ccc(C)cc2)cc1 ZINC000033036198 556718988 /nfs/dbraw/zinc/71/89/88/556718988.db2.gz QQMOGKLZDOKJNV-UHFFFAOYSA-N 0 0 448.979 6.000 50 0 IKAARN CCCC(=O)Nc1ccccc1Sc1nc(Br)nn1CCc1ccccc1 ZINC000033036325 556719038 /nfs/dbraw/zinc/71/90/38/556719038.db2.gz OCVRIBLIDSCPAH-UHFFFAOYSA-N 0 0 445.386 5.173 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011139405 556719650 /nfs/dbraw/zinc/71/96/50/556719650.db2.gz CJLQXPNEPJNNPU-LLVKDONJSA-N 0 0 427.715 5.180 50 0 IKAARN Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cccc(-c3ccccc3)c2n1 ZINC000033036663 556719743 /nfs/dbraw/zinc/71/97/43/556719743.db2.gz WEJQSSIDGKNPCO-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN COc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccc(F)cc4)cccc23)c(OC)c1 ZINC000033036850 556719964 /nfs/dbraw/zinc/71/99/64/556719964.db2.gz PSTCBOATVWSGJM-UHFFFAOYSA-N 0 0 430.479 5.297 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-n3nc(C)c(-c4ccccc4)c3NC(C)=O)cc2)c1 ZINC000033037011 556720142 /nfs/dbraw/zinc/72/01/42/556720142.db2.gz RJWRJNXCXKDHLW-UHFFFAOYSA-N 0 0 440.503 5.067 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848539 556721595 /nfs/dbraw/zinc/72/15/95/556721595.db2.gz UYUJHDMRFICLLQ-UHFFFAOYSA-N 0 0 442.731 5.192 50 0 IKAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)cc1 ZINC000033037442 556722925 /nfs/dbraw/zinc/72/29/25/556722925.db2.gz JDRWYMIJPRRZEF-UHFFFAOYSA-N 0 0 432.911 5.212 50 0 IKAARN O=C(/N=S1/C[C@H](c2ccccc2)OC(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1 ZINC000013739359 556723601 /nfs/dbraw/zinc/72/36/01/556723601.db2.gz BYYDKMLYDPRFPT-CUXXENAFSA-N 0 0 443.355 6.069 50 0 IKAARN O=C(/C=C\c1ccccc1)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000033909661 556723690 /nfs/dbraw/zinc/72/36/90/556723690.db2.gz DAWZTTXIFBLGIR-ZBTGYSDGSA-N 0 0 437.676 5.643 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000005198479 556723744 /nfs/dbraw/zinc/72/37/44/556723744.db2.gz ZVHFNDUJUBWBQF-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN Brc1ccc(C[C@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 ZINC000000865563 556723974 /nfs/dbraw/zinc/72/39/74/556723974.db2.gz RGZMWEGSLHICGY-MRXNPFEDSA-N 0 0 431.337 5.771 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038178 556724339 /nfs/dbraw/zinc/72/43/39/556724339.db2.gz KOGKFRGEEGYPKD-UHFFFAOYSA-N 0 0 446.938 5.682 50 0 IKAARN CSc1cccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000033038231 556724517 /nfs/dbraw/zinc/72/45/17/556724517.db2.gz BBKWAHBZIPQUKM-UHFFFAOYSA-N 0 0 444.560 5.442 50 0 IKAARN Cc1oc2ccc(OC(=O)c3ccc4ccccc4c3)cc2c1C(=O)NC1CCCCC1 ZINC000072328177 556724628 /nfs/dbraw/zinc/72/46/28/556724628.db2.gz RYJCCDVBUYZAPH-UHFFFAOYSA-N 0 0 427.500 6.176 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000072328476 556725844 /nfs/dbraw/zinc/72/58/44/556725844.db2.gz UVIMYNYJEWRKSI-UHFFFAOYSA-N 0 0 447.888 6.145 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 ZINC000072328559 556726098 /nfs/dbraw/zinc/72/60/98/556726098.db2.gz FHLSFTQALZEUSM-UHFFFAOYSA-N 0 0 446.576 5.451 50 0 IKAARN Cc1ccc(-n2c(CSc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 ZINC000072329966 556727802 /nfs/dbraw/zinc/72/78/02/556727802.db2.gz OICKEXVNXAEUOI-UHFFFAOYSA-N 0 0 431.586 5.843 50 0 IKAARN CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OCC ZINC000072331221 556728649 /nfs/dbraw/zinc/72/86/49/556728649.db2.gz KDCPQDSYZHOSEQ-UHFFFAOYSA-N 0 0 444.575 5.031 50 0 IKAARN Clc1ccc(CN2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)cc1 ZINC000054074897 556728873 /nfs/dbraw/zinc/72/88/73/556728873.db2.gz PAPIOPHQCDRZNX-UHFFFAOYSA-N 0 0 426.998 5.395 50 0 IKAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000054254167 556729465 /nfs/dbraw/zinc/72/94/65/556729465.db2.gz VFBFKHHUJMKMGA-JXMROGBWSA-N 0 0 429.589 5.507 50 0 IKAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)c(C)s1)c1cccs1 ZINC000011148165 556730704 /nfs/dbraw/zinc/73/07/04/556730704.db2.gz YTKIZKJEAVSTGF-SFHVURJKSA-N 0 0 427.595 5.311 50 0 IKAARN O=C(NCc1ccco1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033040638 556732049 /nfs/dbraw/zinc/73/20/49/556732049.db2.gz SYSHZJHQTFNSLI-XMMPIXPASA-N 0 0 443.572 5.825 50 0 IKAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033924094 556732266 /nfs/dbraw/zinc/73/22/66/556732266.db2.gz VHQXEEFTKPQEFF-ZHKVRBCESA-N 0 0 428.601 5.378 50 0 IKAARN COc1ccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)c(C)o2)c(C)c1C ZINC000055099390 556734599 /nfs/dbraw/zinc/73/45/99/556734599.db2.gz QYAGPBKZSFRFLQ-UHFFFAOYSA-N 0 0 425.960 5.251 50 0 IKAARN Cc1ccc(OCC(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C(C)C)cc1 ZINC000078875591 556735791 /nfs/dbraw/zinc/73/57/91/556735791.db2.gz UECNZTUOAYTYEI-UHFFFAOYSA-N 0 0 431.511 6.058 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1F)CCCC3 ZINC000033042832 556735882 /nfs/dbraw/zinc/73/58/82/556735882.db2.gz KVOYHAZFQJBHNF-JOCHJYFZSA-N 0 0 441.547 6.441 50 0 IKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000055152844 556736027 /nfs/dbraw/zinc/73/60/27/556736027.db2.gz CYDSHMOAZYNRBG-UHFFFAOYSA-N 0 0 438.833 5.683 50 0 IKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2Cl)cc1 ZINC000019325540 556736581 /nfs/dbraw/zinc/73/65/81/556736581.db2.gz BZLFJBASAFSFIM-UHFFFAOYSA-N 0 0 436.983 5.764 50 0 IKAARN COc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c(OC)c1OC ZINC000019330100 556736599 /nfs/dbraw/zinc/73/65/99/556736599.db2.gz MHYVEFVMZKIECV-UHFFFAOYSA-N 0 0 432.564 5.119 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1Cl ZINC000033042964 556737579 /nfs/dbraw/zinc/73/75/79/556737579.db2.gz UBEILBNNZDHMAS-OAHLLOKOSA-N 0 0 425.985 6.488 50 0 IKAARN c1csc(CCn2cnnc2S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)c1 ZINC000079024340 556737785 /nfs/dbraw/zinc/73/77/85/556737785.db2.gz LVVUVZPFZBBPAV-FQEVSTJZSA-N 0 0 445.573 5.514 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033042982 556737933 /nfs/dbraw/zinc/73/79/33/556737933.db2.gz KBKNEIIUUDECNB-CQSZACIVSA-N 0 0 441.984 6.188 50 0 IKAARN CCOc1ccccc1-c1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)o1 ZINC000055211418 556738067 /nfs/dbraw/zinc/73/80/67/556738067.db2.gz KOHRDXSVSQWHAY-UHFFFAOYSA-N 0 0 445.485 5.390 50 0 IKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc2c1CCCC2)CCCC3 ZINC000033043015 556738221 /nfs/dbraw/zinc/73/82/21/556738221.db2.gz XTCCHDLTFRGXBV-QGZVFWFLSA-N 0 0 431.605 6.405 50 0 IKAARN Cc1cccc(Cn2nccc2NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000030528085 556738939 /nfs/dbraw/zinc/73/89/39/556738939.db2.gz JLSDQLJFGUOPRI-UHFFFAOYSA-N 0 0 430.122 5.501 50 0 IKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C(F)(F)F)c1)CCCC3 ZINC000033043028 556738981 /nfs/dbraw/zinc/73/89/81/556738981.db2.gz GLYKSGOHAZBUDL-CQSZACIVSA-N 0 0 445.510 6.545 50 0 IKAARN Cc1c([C@@H](C)NCc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1cccc(F)c1 ZINC000055255516 556738986 /nfs/dbraw/zinc/73/89/86/556738986.db2.gz DYHYDSVHMFKHLM-GOSISDBHSA-N 0 0 437.522 5.781 50 0 IKAARN Cc1c([C@H](C)NCc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1cccc(F)c1 ZINC000055255523 556739241 /nfs/dbraw/zinc/73/92/41/556739241.db2.gz DYHYDSVHMFKHLM-SFHVURJKSA-N 0 0 437.522 5.781 50 0 IKAARN COc1cc2c(cc1CN1CCN(c3ccc(C)cc3)CC1)oc(C)c2-c1ccccc1 ZINC000055447585 556741026 /nfs/dbraw/zinc/74/10/26/556741026.db2.gz HIQGAVPRNQASOS-UHFFFAOYSA-N 0 0 426.560 6.047 50 0 IKAARN O=c1[nH]c(C(Cl)=Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)nc2ccccc12 ZINC000084585310 556743484 /nfs/dbraw/zinc/74/34/84/556743484.db2.gz MVUZHZWMDXZUPW-JZUUQJBKSA-N 0 0 448.750 5.944 50 0 IKAARN Cc1cc(Br)cc(NCc2cnn(C(C)(C)C)c2)c1NC(=O)OC(C)(C)C ZINC000241719797 556743646 /nfs/dbraw/zinc/74/36/46/556743646.db2.gz QPRWYYWWNSJMSF-UHFFFAOYSA-N 0 0 437.382 5.668 50 0 IKAARN O=c1c2ccccc2occ1-c1cc(-c2ccc(Cl)cc2)nc2c1COc1ccccc1-2 ZINC000013828504 556744372 /nfs/dbraw/zinc/74/43/72/556744372.db2.gz NDDXPACKYVNMOW-UHFFFAOYSA-N 0 0 437.882 6.735 50 0 IKAARN Cc1ccc2c(c1)-c1nc(-c3ccc4c(c3)NC(=O)CO4)cc(-c3ccc(F)cc3)c1CO2 ZINC000013828436 556744676 /nfs/dbraw/zinc/74/46/76/556744676.db2.gz ACBJYQPCTFEBJE-UHFFFAOYSA-N 0 0 438.458 5.753 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CC[C@H](c4ccccc4)C3)cc1CC2 ZINC000033049020 556745876 /nfs/dbraw/zinc/74/58/76/556745876.db2.gz SPIFQZMGGOFXAR-NRFANRHFSA-N 0 0 439.584 5.638 50 0 IKAARN CC(C)c1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000033048936 556746103 /nfs/dbraw/zinc/74/61/03/556746103.db2.gz PNADBDQEELGMFN-UHFFFAOYSA-N 0 0 445.950 5.157 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000033939490 556746142 /nfs/dbraw/zinc/74/61/42/556746142.db2.gz WBKNHCQLPMRUBW-PACHTINGSA-N 0 0 426.947 6.777 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000005235763 556746602 /nfs/dbraw/zinc/74/66/02/556746602.db2.gz ZOUBCABTDWMUAG-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)cc1 ZINC000057511051 556747873 /nfs/dbraw/zinc/74/78/73/556747873.db2.gz SOTKHOVKDOKCHZ-UHFFFAOYSA-N 0 0 440.528 5.289 50 0 IKAARN Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019371518 556748387 /nfs/dbraw/zinc/74/83/87/556748387.db2.gz ZEERBWXTQQBHPL-UHFFFAOYSA-N 0 0 437.587 5.375 50 0 IKAARN CC(C)(C)c1cc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc(C(C)(C)C)c1 ZINC000072333532 556749869 /nfs/dbraw/zinc/74/98/69/556749869.db2.gz LHGWXZPILIPUEA-UHFFFAOYSA-N 0 0 448.680 6.916 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c(C)c1 ZINC000072333446 556749894 /nfs/dbraw/zinc/74/98/94/556749894.db2.gz QOQQRVIKARJUGO-UHFFFAOYSA-N 0 0 444.560 5.074 50 0 IKAARN O=C(C1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)CC1)N1CCCCCC1 ZINC000057980147 556750120 /nfs/dbraw/zinc/75/01/20/556750120.db2.gz ZONXDOYRNCFWQZ-RJAVSUSUSA-N 0 0 448.651 5.166 50 0 IKAARN c1ccc(-c2ccc(C3=NN4[C@H](C3)c3ccccc3O[C@@H]4c3ccc4c(c3)OCO4)cc2)cc1 ZINC000072333671 556750128 /nfs/dbraw/zinc/75/01/28/556750128.db2.gz MIPVESRQRJKQNG-VAVYLYDRSA-N 0 0 446.506 6.325 50 0 IKAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000057987221 556750462 /nfs/dbraw/zinc/75/04/62/556750462.db2.gz FOMCJCKBNXPKDM-QPPBQGQZSA-N 0 0 446.620 5.244 50 0 IKAARN COc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000072332594 556750673 /nfs/dbraw/zinc/75/06/73/556750673.db2.gz BMTFTLPUQWJZKN-REWPJTCUSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 ZINC000072332616 556750953 /nfs/dbraw/zinc/75/09/53/556750953.db2.gz OOEJEUARCWJDAD-FYYLOGMGSA-N 0 0 443.305 6.383 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000072332627 556750961 /nfs/dbraw/zinc/75/09/61/556750961.db2.gz PLPOQLSFCNESQK-XUZZJYLKSA-N 0 0 447.332 5.510 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2nc(-c3ccc(Cl)cc3)cc2N1 ZINC000072332683 556751062 /nfs/dbraw/zinc/75/10/62/556751062.db2.gz MXJSSPRKBGEPMU-DEOSSOPVSA-N 0 0 441.922 5.526 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332718 556751206 /nfs/dbraw/zinc/75/12/06/556751206.db2.gz NTKFCLFBHJMUJL-RUZDIDTESA-N 0 0 436.515 5.356 50 0 IKAARN CN(Cc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)OC(C)(C)C ZINC000057995921 556751621 /nfs/dbraw/zinc/75/16/21/556751621.db2.gz DPVJNVAPYXPPSP-UHFFFAOYSA-N 0 0 441.915 5.614 50 0 IKAARN Fc1ccc(CN(Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C2CC2)c(F)c1 ZINC000057996692 556751776 /nfs/dbraw/zinc/75/17/76/556751776.db2.gz JMOBZSUPQNKZOH-UHFFFAOYSA-N 0 0 430.499 5.455 50 0 IKAARN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCc1nnc(-c2ccsc2)o1)C1CC1 ZINC000057997083 556751799 /nfs/dbraw/zinc/75/17/99/556751799.db2.gz RLLLVUZQSDZVRI-CYBMUJFWSA-N 0 0 435.471 5.502 50 0 IKAARN Cc1ccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc2c1C ZINC000011155886 556752255 /nfs/dbraw/zinc/75/22/55/556752255.db2.gz XDCONSAKHFZISV-GFCCVEGCSA-N 0 0 441.405 6.107 50 0 IKAARN O=C(Nc1cccc(COc2cccc(F)c2)c1)c1n[nH]c(C2CC2)c1Br ZINC000058008561 556752888 /nfs/dbraw/zinc/75/28/88/556752888.db2.gz NOMUMHBYECIYHG-UHFFFAOYSA-N 0 0 430.277 5.020 50 0 IKAARN COc1ccc(CCN(C)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1OC ZINC000058010625 556753048 /nfs/dbraw/zinc/75/30/48/556753048.db2.gz HHKOZMZTRNTEKU-MOPGFXCFSA-N 0 0 436.577 5.064 50 0 IKAARN Cc1c2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(Cl)s3)sc2ccc1Cl ZINC000011159941 556753144 /nfs/dbraw/zinc/75/31/44/556753144.db2.gz AMDPWTQGZSPWHA-LLVKDONJSA-N 0 0 427.378 5.799 50 0 IKAARN O=C(Cc1csc(Cc2ccccc2)n1)N[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000058099164 556757923 /nfs/dbraw/zinc/75/79/23/556757923.db2.gz DWOSTHAGXJQPRY-FQEVSTJZSA-N 0 0 445.613 5.594 50 0 IKAARN COc1ccc(-c2oc3ncn4nc(-c5ccccn5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000002415332 556761570 /nfs/dbraw/zinc/76/15/70/556761570.db2.gz PPNKUKDHESJBCJ-UHFFFAOYSA-N 0 0 449.470 5.284 50 0 IKAARN COc1ccc(C2=Nc3cc(Cl)ccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]3C2)cc1 ZINC000001030704 556762587 /nfs/dbraw/zinc/76/25/87/556762587.db2.gz YOAGUTCSBCFPOA-NRFANRHFSA-N 0 0 448.906 5.592 50 0 IKAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000061972687 556763221 /nfs/dbraw/zinc/76/32/21/556763221.db2.gz RJPNHJDQEQVURK-UHFFFAOYSA-N 0 0 426.541 5.675 50 0 IKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000058158849 556763503 /nfs/dbraw/zinc/76/35/03/556763503.db2.gz HFHOEANFKXGDJN-UHFFFAOYSA-N 0 0 436.519 5.377 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2cccc(Cl)c2)CO4)cc1 ZINC000061997626 556763702 /nfs/dbraw/zinc/76/37/02/556763702.db2.gz XRUJGPSJCIHTDR-UHFFFAOYSA-N 0 0 447.918 5.783 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccc(F)cc2)CO4)cc1 ZINC000061997638 556763786 /nfs/dbraw/zinc/76/37/86/556763786.db2.gz QQHIKCRPCDBQMO-UHFFFAOYSA-N 0 0 431.463 5.268 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccc(C)cc2)CO4)cc1 ZINC000061997701 556764135 /nfs/dbraw/zinc/76/41/35/556764135.db2.gz IIGYKBIPJWULIA-UHFFFAOYSA-N 0 0 427.500 5.438 50 0 biogenic IKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160424 556764482 /nfs/dbraw/zinc/76/44/82/556764482.db2.gz WJJMKBPCVDAWRD-SANMLTNESA-N 0 0 441.575 5.334 50 0 IKAARN Cc1cccc(N(C)C(=O)CSc2ccc(-n3cnc(-c4ccc(Cl)cc4)c3)nn2)c1 ZINC000062007166 556765385 /nfs/dbraw/zinc/76/53/85/556765385.db2.gz JVVMOZAVGYKIOY-UHFFFAOYSA-N 0 0 449.967 5.046 50 0 IKAARN C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 ZINC000058166340 556766512 /nfs/dbraw/zinc/76/65/12/556766512.db2.gz DUKINSFSYPYOFP-IERDGZPVSA-N 0 0 433.508 5.587 50 0 IKAARN C[C@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000058168063 556767305 /nfs/dbraw/zinc/76/73/05/556767305.db2.gz ZMRBRVAUKGKARL-IBGZPJMESA-N 0 0 428.532 5.348 50 0 IKAARN COc1cc(Cl)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)cc1OC ZINC000058169310 556767656 /nfs/dbraw/zinc/76/76/56/556767656.db2.gz ITYSHUQFHGFTSO-UHFFFAOYSA-N 0 0 437.883 5.430 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000058173640 556768895 /nfs/dbraw/zinc/76/88/95/556768895.db2.gz QVAHQQLDJIPAIJ-JOCHJYFZSA-N 0 0 444.522 5.012 50 0 IKAARN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000058179688 556770039 /nfs/dbraw/zinc/77/00/39/556770039.db2.gz JIGSEEZPKKUHQU-XMMPIXPASA-N 0 0 431.923 5.396 50 0 IKAARN COc1ccc([C@@H]2CC(c3c(C)nc4ccccc4c3-c3ccccc3)=NN2C(C)=O)cc1 ZINC000058196723 556770513 /nfs/dbraw/zinc/77/05/13/556770513.db2.gz ULUUIGTZBHDRQR-SANMLTNESA-N 0 0 435.527 5.916 50 0 IKAARN CN(C)C(=O)c1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC000058210250 556771888 /nfs/dbraw/zinc/77/18/88/556771888.db2.gz KXLXZJJBEVCVCK-UHFFFAOYSA-N 0 0 429.451 5.102 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058210145 556771946 /nfs/dbraw/zinc/77/19/46/556771946.db2.gz IYEWIHMNXMWHMI-LHUUVIGISA-N 0 0 430.592 5.184 50 0 IKAARN CC(=O)c1ccc(N2CCN([C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)cc1 ZINC000058219013 556773261 /nfs/dbraw/zinc/77/32/61/556773261.db2.gz PEZAFOPWWJHLQD-MHZLTWQESA-N 0 0 441.575 5.008 50 0 IKAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000058224110 556773560 /nfs/dbraw/zinc/77/35/60/556773560.db2.gz YYOHDIKEJGQUKA-SOFGYWHQSA-N 0 0 442.869 5.130 50 0 IKAARN CCC(CC)(NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 ZINC000058244298 556774823 /nfs/dbraw/zinc/77/48/23/556774823.db2.gz XXEBYZLXHHMWQH-UHFFFAOYSA-N 0 0 448.941 5.302 50 0 IKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000058245171 556775034 /nfs/dbraw/zinc/77/50/34/556775034.db2.gz XQEGBCUDCYPUMG-CVEARBPZSA-N 0 0 427.595 5.537 50 0 IKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000058245168 556775090 /nfs/dbraw/zinc/77/50/90/556775090.db2.gz XQEGBCUDCYPUMG-JKSUJKDBSA-N 0 0 427.595 5.537 50 0 IKAARN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cccc(Br)c2)cc1OC ZINC000058264337 556776133 /nfs/dbraw/zinc/77/61/33/556776133.db2.gz ZKVKBTZBVUVRAH-IBGZPJMESA-N 0 0 432.358 5.094 50 0 IKAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000058265585 556776438 /nfs/dbraw/zinc/77/64/38/556776438.db2.gz QBEPTJHBMFXQOS-UHFFFAOYSA-N 0 0 433.512 5.096 50 0 IKAARN CC(C)C[C@@H](C)N(C(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc2[nH]ccc2c1 ZINC000058266397 556776815 /nfs/dbraw/zinc/77/68/15/556776815.db2.gz BZKRMXLSTVUEAG-GOSISDBHSA-N 0 0 433.552 5.363 50 0 IKAARN C[C@H](Sc1nnc2sc3ccccc3n12)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010658463 556776935 /nfs/dbraw/zinc/77/69/35/556776935.db2.gz KKOLDRUTCXPPSY-JTQLQIEISA-N 0 0 447.467 5.866 50 0 IKAARN C[C@@H](Sc1nnc2sc3ccccc3n12)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010658464 556776997 /nfs/dbraw/zinc/77/69/97/556776997.db2.gz KKOLDRUTCXPPSY-SNVBAGLBSA-N 0 0 447.467 5.866 50 0 IKAARN Cc1ccccc1[C@@H]1CC(c2c(C)nc3ccccc3c2-c2ccccc2)=NN1C(=O)C(C)C ZINC000058268818 556777033 /nfs/dbraw/zinc/77/70/33/556777033.db2.gz FJVYBCAVWLINKA-MHZLTWQESA-N 0 0 447.582 6.852 50 0 IKAARN CCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccccc1C ZINC000058268794 556777063 /nfs/dbraw/zinc/77/70/63/556777063.db2.gz UNMZXDOLXQFFLI-AREMUKBSSA-N 0 0 433.555 6.606 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(C(=O)Cc2c(Cl)cccc2Cl)c2cnn(C)c2)c1 ZINC000058277756 556777283 /nfs/dbraw/zinc/77/72/83/556777283.db2.gz OUMKAFLSSPAOSC-AWEZNQCLSA-N 0 0 448.350 5.081 50 0 IKAARN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000058304489 556778610 /nfs/dbraw/zinc/77/86/10/556778610.db2.gz WHPYYVHPMMYJDQ-GJZGRUSLSA-N 0 0 448.394 5.471 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000058314846 556780350 /nfs/dbraw/zinc/78/03/50/556780350.db2.gz FMBQHVCLPMJFRG-HTAPYJJXSA-N 0 0 427.504 5.094 50 0 IKAARN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000058332015 556781526 /nfs/dbraw/zinc/78/15/26/556781526.db2.gz VPAHOUUZYHUDEY-UHFFFAOYSA-N 0 0 449.334 5.033 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000058331344 556781658 /nfs/dbraw/zinc/78/16/58/556781658.db2.gz YWMDWVJRWZCEBX-VGOFRKELSA-N 0 0 427.504 5.094 50 0 IKAARN CC(C)c1noc(-c2ccc(NC(=O)N[C@H](C)c3cccc(Br)c3)cc2)n1 ZINC000058342801 556781934 /nfs/dbraw/zinc/78/19/34/556781934.db2.gz MGGHIRKPHOIZBE-CYBMUJFWSA-N 0 0 429.318 5.505 50 0 IKAARN CCC[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058343301 556782064 /nfs/dbraw/zinc/78/20/64/556782064.db2.gz NIRXETWBRUKCHW-JOCHJYFZSA-N 0 0 449.526 5.223 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000058356262 556782353 /nfs/dbraw/zinc/78/23/53/556782353.db2.gz RAVXMLLYBQFYJD-VWLOTQADSA-N 0 0 425.532 5.535 50 0 IKAARN Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1-c1ccccc1C ZINC000058357683 556782949 /nfs/dbraw/zinc/78/29/49/556782949.db2.gz BNTHQPHBCXYCMG-UHFFFAOYSA-N 0 0 432.336 5.533 50 0 IKAARN Cc1ccc(-n2cnnc2SCC(=O)NC(C)(C)c2c(Cl)cccc2Cl)cc1 ZINC000058377574 556783821 /nfs/dbraw/zinc/78/38/21/556783821.db2.gz KIIAFBBWEZVJFM-UHFFFAOYSA-N 0 0 435.380 5.026 50 0 IKAARN COC(=O)c1sc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc1Cl ZINC000058402433 556785369 /nfs/dbraw/zinc/78/53/69/556785369.db2.gz QOEOLETUABLWHK-UHFFFAOYSA-N 0 0 428.366 5.230 50 0 IKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000058394218 556785419 /nfs/dbraw/zinc/78/54/19/556785419.db2.gz BVVGUVRIFUQALD-UHFFFAOYSA-N 0 0 444.105 5.838 50 0 IKAARN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000058407180 556786201 /nfs/dbraw/zinc/78/62/01/556786201.db2.gz NORYLAVTJKTEMD-UHFFFAOYSA-N 0 0 429.225 5.196 50 0 IKAARN C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000058413239 556786506 /nfs/dbraw/zinc/78/65/06/556786506.db2.gz BMONDCWWAYVERR-OAHLLOKOSA-N 0 0 430.470 5.279 50 0 IKAARN COC(=O)c1cc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc(C)c1C ZINC000058425144 556787729 /nfs/dbraw/zinc/78/77/29/556787729.db2.gz NQVWEYMIJJJZBI-UHFFFAOYSA-N 0 0 433.291 5.613 50 0 IKAARN Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)cc2F)n1 ZINC000058423571 556787768 /nfs/dbraw/zinc/78/77/68/556787768.db2.gz PPJXCIWQYHJEEF-UHFFFAOYSA-N 0 0 442.853 5.636 50 0 IKAARN CSc1nccn1-c1cccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000058439277 556788749 /nfs/dbraw/zinc/78/87/49/556788749.db2.gz HTZJFGDFVXKQBE-UHFFFAOYSA-N 0 0 449.580 5.254 50 0 IKAARN O=C1OC(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccccc21 ZINC000034139215 556791202 /nfs/dbraw/zinc/79/12/02/556791202.db2.gz KIDHFNTZQIMNJJ-UHFFFAOYSA-N 0 0 444.122 5.674 50 0 IKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000058779503 556791948 /nfs/dbraw/zinc/79/19/48/556791948.db2.gz NXQKIAHQCVLLMV-UHFFFAOYSA-N 0 0 429.395 5.764 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000001464062 556792889 /nfs/dbraw/zinc/79/28/89/556792889.db2.gz UTDCCRHKFXXLRZ-UHFFFAOYSA-N 0 0 434.875 5.692 50 0 IKAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000058978808 556793825 /nfs/dbraw/zinc/79/38/25/556793825.db2.gz OOFRZEQVLMDJFL-IBGZPJMESA-N 0 0 434.561 5.027 50 0 IKAARN O=C(COc1cc(-c2ccccc2)sc1C(=O)Nc1ccccc1F)N1CCCCC1 ZINC000059298119 556797225 /nfs/dbraw/zinc/79/72/25/556797225.db2.gz KADKCVNNUHAONL-UHFFFAOYSA-N 0 0 438.524 5.198 50 0 IKAARN COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(Oc3ccc(OC)cc3)n2)cc1 ZINC000001581288 556797431 /nfs/dbraw/zinc/79/74/31/556797431.db2.gz XWAUEFUZGGERAO-UHFFFAOYSA-N 0 0 447.447 5.274 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000001883832 556797839 /nfs/dbraw/zinc/79/78/39/556797839.db2.gz VORFTXUNXYVJSJ-UHFFFAOYSA-N 0 0 449.131 6.239 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccccc1Cl ZINC000001935410 556798075 /nfs/dbraw/zinc/79/80/75/556798075.db2.gz LQYFHLQCRDOLBI-FMIVXFBMSA-N 0 0 446.355 6.551 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000002056917 556798338 /nfs/dbraw/zinc/79/83/38/556798338.db2.gz KOYWTDZMYLFHOG-UHFFFAOYSA-N 0 0 441.712 6.092 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3nc2SCC(=O)N(CC)c2ccccc2)cc1 ZINC000033050434 556798361 /nfs/dbraw/zinc/79/83/61/556798361.db2.gz XIQJMIJLPVNQIN-UHFFFAOYSA-N 0 0 427.573 5.873 50 0 IKAARN CCCCOc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1 ZINC000001839817 556798448 /nfs/dbraw/zinc/79/84/48/556798448.db2.gz DANHVRJBOCSYQB-UHFFFAOYSA-N 0 0 425.465 7.160 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000002449508 556799253 /nfs/dbraw/zinc/79/92/53/556799253.db2.gz WIAZLBYHRZBTOW-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN CCCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OCC ZINC000002170147 556799652 /nfs/dbraw/zinc/79/96/52/556799652.db2.gz GXKXUDYHEZEUNU-UDWIEESQSA-N 0 0 449.931 5.903 50 0 IKAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2Nc2cccc(C)c2C)c1C ZINC000002618176 556800296 /nfs/dbraw/zinc/80/02/96/556800296.db2.gz YXGWATJNRLNGIV-GOSISDBHSA-N 0 0 448.519 5.207 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1ccc(F)cc1 ZINC000002619436 556800332 /nfs/dbraw/zinc/80/03/32/556800332.db2.gz WONHXZUJDRAWIQ-UHFFFAOYSA-N 0 0 425.485 5.105 50 0 IKAARN CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002622541 556800432 /nfs/dbraw/zinc/80/04/32/556800432.db2.gz VDKBSJNZXDCJJU-FQEVSTJZSA-N 0 0 448.419 5.572 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000002626345 556800625 /nfs/dbraw/zinc/80/06/25/556800625.db2.gz BJUBZSKMSKENSX-GOSISDBHSA-N 0 0 445.588 6.278 50 0 IKAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002624026 556800684 /nfs/dbraw/zinc/80/06/84/556800684.db2.gz YXVWQLJPRNTUPC-OAHLLOKOSA-N 0 0 436.562 5.124 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NC[C@@H]3CCCO3)c2c1C ZINC000002625616 556800747 /nfs/dbraw/zinc/80/07/47/556800747.db2.gz HXGSMPKOECQWRT-HNNXBMFYSA-N 0 0 443.594 5.060 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CCOc2ccccc2)cc1C ZINC000033050751 556800923 /nfs/dbraw/zinc/80/09/23/556800923.db2.gz ZFRAEGYIQPKIRU-UHFFFAOYSA-N 0 0 431.561 5.463 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1cccc(Cl)c1)Nc1ccc(F)cc1 ZINC000033050787 556800955 /nfs/dbraw/zinc/80/09/55/556800955.db2.gz OOSLUOQLEJAONJ-UHFFFAOYSA-N 0 0 425.916 5.608 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 ZINC000033050617 556800983 /nfs/dbraw/zinc/80/09/83/556800983.db2.gz YQCIRVDJVGLHIY-UHFFFAOYSA-N 0 0 431.561 5.441 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)c(C)n1C ZINC000002628115 556800993 /nfs/dbraw/zinc/80/09/93/556800993.db2.gz SWKCXIIOAQFDGR-UHFFFAOYSA-N 0 0 448.522 6.050 50 0 IKAARN S=c1sc(SCCOc2cccc(Br)c2)nn1-c1ccccc1 ZINC000002629349 556801012 /nfs/dbraw/zinc/80/10/12/556801012.db2.gz GLXLEMQHRQZDKR-UHFFFAOYSA-N 0 0 425.398 5.597 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1C ZINC000033050715 556801079 /nfs/dbraw/zinc/80/10/79/556801079.db2.gz HHPSLYURJXEHAR-UHFFFAOYSA-N 0 0 435.980 6.086 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1Cl)Nc1ccc(F)cc1 ZINC000033050796 556801201 /nfs/dbraw/zinc/80/12/01/556801201.db2.gz AIUFAUQKWUNRNJ-UHFFFAOYSA-N 0 0 443.906 5.747 50 0 IKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 ZINC000072400792 556801251 /nfs/dbraw/zinc/80/12/51/556801251.db2.gz AZFGEWGBZDEHLC-DNVCBOLYSA-N 0 0 438.597 5.095 50 0 IKAARN C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)csc2C1 ZINC000002639845 556801726 /nfs/dbraw/zinc/80/17/26/556801726.db2.gz KZQWWCPMOJEDMF-SNVBAGLBSA-N 0 0 431.863 5.341 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000002644697 556801933 /nfs/dbraw/zinc/80/19/33/556801933.db2.gz OIXCJSWGTDLTJP-ZDUSSCGKSA-N 0 0 428.355 5.271 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCCc2ccccc21 ZINC000002658499 556802893 /nfs/dbraw/zinc/80/28/93/556802893.db2.gz CYLJMTIHOGVOLE-QFIPXVFZSA-N 0 0 444.884 6.491 50 0 IKAARN C[C@@H](CCc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000002664355 556803029 /nfs/dbraw/zinc/80/30/29/556803029.db2.gz VPBQNTVSHIEFAW-INIZCTEOSA-N 0 0 434.008 6.934 50 0 IKAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033052762 556803131 /nfs/dbraw/zinc/80/31/31/556803131.db2.gz BTHATGRZILJDED-UHFFFAOYSA-N 0 0 427.548 5.012 50 0 IKAARN CCn1ncc(Br)c1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002754099 556803471 /nfs/dbraw/zinc/80/34/71/556803471.db2.gz QTJFLILKRMXFQY-UHFFFAOYSA-N 0 0 441.354 5.503 50 0 IKAARN CC(C)(C)P(=NC(=S)N1CCOCC1)(N1CCCCCC1)N1CCCCCC1 ZINC000005446707 556803722 /nfs/dbraw/zinc/80/37/22/556803722.db2.gz HPCGMNHNLWEUNI-UHFFFAOYSA-N 0 0 428.627 5.185 50 0 IKAARN O=S(=O)(c1nc(Nc2cccc3ccccc32)sc1Cl)c1ccc(Cl)cc1 ZINC000003192859 556803981 /nfs/dbraw/zinc/80/39/81/556803981.db2.gz OODFVLAUBRRITJ-UHFFFAOYSA-N 0 0 435.357 6.180 50 0 IKAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3cccc(Oc4ccccc4)c3)cc21 ZINC000003170020 556803993 /nfs/dbraw/zinc/80/39/93/556803993.db2.gz QAOCZQMWJXOYAS-UHFFFAOYSA-N 0 0 446.455 5.695 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)Nc3ccc(Cl)cc3)ccc2oc1-c1ccccc1 ZINC000003170188 556804136 /nfs/dbraw/zinc/80/41/36/556804136.db2.gz BBQCLROAAVIXJD-UHFFFAOYSA-N 0 0 435.863 6.541 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1cc(Cl)cc(Cl)c1 ZINC000003248909 556804882 /nfs/dbraw/zinc/80/48/82/556804882.db2.gz UISWGPRAYVNUHK-UHFFFAOYSA-N 0 0 441.270 5.597 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000059842717 556804893 /nfs/dbraw/zinc/80/48/93/556804893.db2.gz JQUJRMKBFJXIEB-NRFANRHFSA-N 0 0 448.569 5.945 50 0 IKAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003247838 556804983 /nfs/dbraw/zinc/80/49/83/556804983.db2.gz GQJOSNWKSWWNKW-AWEZNQCLSA-N 0 0 442.437 5.316 50 0 IKAARN CC(=O)c1ccc(NC(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000003252437 556805132 /nfs/dbraw/zinc/80/51/32/556805132.db2.gz SYCUFAVZAUKHJI-LFIBNONCSA-N 0 0 441.918 6.047 50 0 IKAARN O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000059886282 556805188 /nfs/dbraw/zinc/80/51/88/556805188.db2.gz GVHQGCARHUWUJE-UHFFFAOYSA-N 0 0 436.905 5.171 50 0 IKAARN Fc1ccccc1COc1c(Br)cc(Br)cc1Br ZINC000003251962 556805215 /nfs/dbraw/zinc/80/52/15/556805215.db2.gz CIXFVFHMGAKOMO-UHFFFAOYSA-N 0 0 438.916 5.692 50 0 IKAARN CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000003220547 556805526 /nfs/dbraw/zinc/80/55/26/556805526.db2.gz CECILMHKORCXKY-FYWRMAATSA-N 0 0 443.547 5.115 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003226442 556805668 /nfs/dbraw/zinc/80/56/68/556805668.db2.gz PJTWCUDHDPWEOL-UHFFFAOYSA-N 0 0 444.575 6.326 50 0 IKAARN COc1ccccc1Nc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)s1 ZINC000003224091 556805730 /nfs/dbraw/zinc/80/57/30/556805730.db2.gz IXWTZFKGSFSXGA-UHFFFAOYSA-N 0 0 445.569 5.837 50 0 IKAARN O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000060012470 556805699 /nfs/dbraw/zinc/80/56/99/556805699.db2.gz YNLOXSJWJDOXOG-SANMLTNESA-N 0 0 440.568 5.046 50 0 IKAARN O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000060012471 556805813 /nfs/dbraw/zinc/80/58/13/556805813.db2.gz YNLOXSJWJDOXOG-AREMUKBSSA-N 0 0 440.568 5.046 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1OC ZINC000003229436 556805995 /nfs/dbraw/zinc/80/59/95/556805995.db2.gz HDWIYJGQVXPCJJ-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003229894 556805999 /nfs/dbraw/zinc/80/59/99/556805999.db2.gz IJKZUZHIKDEEAB-UHFFFAOYSA-N 0 0 439.005 6.271 50 0 IKAARN O=C(c1ccc(Br)cc1)N(c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000003231109 556806334 /nfs/dbraw/zinc/80/63/34/556806334.db2.gz LSZQQALNVZBZGY-UHFFFAOYSA-N 0 0 427.298 6.176 50 0 IKAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003234726 556806350 /nfs/dbraw/zinc/80/63/50/556806350.db2.gz YQKXYZZOWFXMSF-UHFFFAOYSA-N 0 0 447.840 5.745 50 0 IKAARN O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000003238107 556806594 /nfs/dbraw/zinc/80/65/94/556806594.db2.gz IPFDAHMWNKVWOH-UHFFFAOYSA-N 0 0 448.828 5.898 50 0 IKAARN O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2ccccc2c1 ZINC000003238958 556806650 /nfs/dbraw/zinc/80/66/50/556806650.db2.gz BMFWFTYMYZZJMF-UHFFFAOYSA-N 0 0 438.694 5.361 50 0 IKAARN C[C@H](Nc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 ZINC000060100688 556806691 /nfs/dbraw/zinc/80/66/91/556806691.db2.gz NAFGYSUFEFKYJK-HKUYNNGSSA-N 0 0 435.959 5.158 50 0 IKAARN CCOc1ccc(OCc2nnc(S[C@@H](C)C(C)=O)n2-c2ccc(C)c(Cl)c2)cc1 ZINC000072105718 556806839 /nfs/dbraw/zinc/80/68/39/556806839.db2.gz DCKDDGABGPKWEG-INIZCTEOSA-N 0 0 445.972 5.276 50 0 IKAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1c(F)cccc1Cl ZINC000003292406 556806842 /nfs/dbraw/zinc/80/68/42/556806842.db2.gz NYGILQKFZRJXBD-ZDUSSCGKSA-N 0 0 439.915 5.288 50 0 IKAARN COc1cccc(/C=C/C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1OC ZINC000003242781 556806896 /nfs/dbraw/zinc/80/68/96/556806896.db2.gz JUXNRTDSRKKRFM-CCEZHUSRSA-N 0 0 447.512 5.090 50 0 IKAARN Cc1oc2cc(OC(=O)c3cccc(F)c3)ccc2c(=O)c1-c1c(F)cccc1Cl ZINC000003292209 556806943 /nfs/dbraw/zinc/80/69/43/556806943.db2.gz ZALVLTKESJANPM-UHFFFAOYSA-N 0 0 426.802 5.919 50 0 IKAARN Cc1ccsc1C=C(C(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 ZINC000003255651 556807110 /nfs/dbraw/zinc/80/71/10/556807110.db2.gz HEZKJGHZAMYOSX-UHFFFAOYSA-N 0 0 431.344 6.024 50 0 IKAARN O=C(Nc1ccccc1F)C(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F ZINC000003257415 556807135 /nfs/dbraw/zinc/80/71/35/556807135.db2.gz GVLMCNYTUXAODE-UHFFFAOYSA-N 0 0 447.268 5.932 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000003292968 556807182 /nfs/dbraw/zinc/80/71/82/556807182.db2.gz UHROCVWXHAXGNQ-UHFFFAOYSA-N 0 0 425.254 5.112 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000003266308 556807588 /nfs/dbraw/zinc/80/75/88/556807588.db2.gz KIOFPKLGRJLHCV-UHFFFAOYSA-N 0 0 446.551 5.675 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003278805 556808049 /nfs/dbraw/zinc/80/80/49/556808049.db2.gz VTNJRRFSOMWHFK-UHFFFAOYSA-N 0 0 447.926 5.541 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000003282135 556808422 /nfs/dbraw/zinc/80/84/22/556808422.db2.gz IZGXZHHYWMMYJN-UHFFFAOYSA-N 0 0 441.000 5.391 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000005458128 556808900 /nfs/dbraw/zinc/80/89/00/556808900.db2.gz CICIKCBBPXYFIK-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc(OCCC(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000003304077 556808941 /nfs/dbraw/zinc/80/89/41/556808941.db2.gz IQTQMHPOWUWBRQ-VWLOTQADSA-N 0 0 433.504 5.004 50 0 IKAARN Clc1ccc(SCc2nc3sc4c(c3c(NC[C@@H]3CCCO3)n2)CCC4)cc1 ZINC000003304537 556809188 /nfs/dbraw/zinc/80/91/88/556809188.db2.gz LRMLZIAYIHLCFF-AWEZNQCLSA-N 0 0 432.014 5.717 50 0 IKAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1Cl ZINC000003311325 556809394 /nfs/dbraw/zinc/80/93/94/556809394.db2.gz BVIURKXOXQVALD-HXUWFJFHSA-N 0 0 447.840 6.204 50 0 IKAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2ccccc2c1 ZINC000003308883 556809407 /nfs/dbraw/zinc/80/94/07/556809407.db2.gz VPVZUKQXWCZRNV-UHFFFAOYSA-N 0 0 443.018 6.612 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1 ZINC000003323310 556810396 /nfs/dbraw/zinc/81/03/96/556810396.db2.gz DOCCWFIKBCOOHT-UHFFFAOYSA-N 0 0 426.563 5.214 50 0 IKAARN COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000003328049 556810623 /nfs/dbraw/zinc/81/06/23/556810623.db2.gz CTZHWFBXNLYPKE-UHFFFAOYSA-N 0 0 445.298 5.621 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003294004 556810719 /nfs/dbraw/zinc/81/07/19/556810719.db2.gz FESPVRVAWCDQTR-UHFFFAOYSA-N 0 0 436.581 5.196 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)cc1C ZINC000003294703 556811064 /nfs/dbraw/zinc/81/10/64/556811064.db2.gz KFYYLFBETULEBK-UHFFFAOYSA-N 0 0 440.413 5.698 50 0 IKAARN COc1cc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC(C)C ZINC000003299953 556811203 /nfs/dbraw/zinc/81/12/03/556811203.db2.gz ICLXIXZRLOAPEC-UHFFFAOYSA-N 0 0 435.476 5.070 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1C ZINC000003328279 556811258 /nfs/dbraw/zinc/81/12/58/556811258.db2.gz XFHYRLDJNQZYSB-UHFFFAOYSA-N 0 0 449.526 6.113 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@@H]3CCCC[C@@H]3C)cc(=O)oc2c1 ZINC000003365652 556812045 /nfs/dbraw/zinc/81/20/45/556812045.db2.gz YHGDNZZBCVIOSX-LAUBAEHRSA-N 0 0 446.576 5.798 50 0 IKAARN O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000003367812 556812111 /nfs/dbraw/zinc/81/21/11/556812111.db2.gz XCBCBFBVQARMRS-UHFFFAOYSA-N 0 0 431.300 5.315 50 0 IKAARN O=C(c1nn(-c2ccccc2)cc1/C=C1/C(=O)Nc2ccc(Cl)cc21)c1ccccc1 ZINC000003328995 556812306 /nfs/dbraw/zinc/81/23/06/556812306.db2.gz PVBNHMFCWYZWCC-FYJGNVAPSA-N 0 0 425.875 5.249 50 0 IKAARN Cc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1Cl ZINC000003371476 556812326 /nfs/dbraw/zinc/81/23/26/556812326.db2.gz UYASPKYGQOLDPQ-UHFFFAOYSA-N 0 0 442.418 6.009 50 0 IKAARN O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003336429 556812869 /nfs/dbraw/zinc/81/28/69/556812869.db2.gz QCGFVJZPQHDSKT-UHFFFAOYSA-N 0 0 436.783 6.230 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000003338470 556812886 /nfs/dbraw/zinc/81/28/86/556812886.db2.gz WLCCRNQNYNXWBO-JLHYYAGUSA-N 0 0 431.479 5.730 50 0 IKAARN COc1ccc(CC(=O)N(c2nc(-c3ccc(C)cc3)cs2)c2cc(C)ccc2C)cc1 ZINC000003340373 556812947 /nfs/dbraw/zinc/81/29/47/556812947.db2.gz AQQPJJFAAOYSME-UHFFFAOYSA-N 0 0 442.584 6.651 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)c1cccc(Br)c1 ZINC000003343429 556813382 /nfs/dbraw/zinc/81/33/82/556813382.db2.gz HRMLUJPWDDEPBP-UHFFFAOYSA-N 0 0 438.321 5.306 50 0 IKAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003349618 556813498 /nfs/dbraw/zinc/81/34/98/556813498.db2.gz JHJRCTBNJPHBLL-UHFFFAOYSA-N 0 0 426.605 5.461 50 0 IKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)NC1CCCCCC1 ZINC000003350179 556813579 /nfs/dbraw/zinc/81/35/79/556813579.db2.gz VYFHNEITNNPITI-UHFFFAOYSA-N 0 0 443.663 5.915 50 0 IKAARN Cc1ccc(C(=O)N(c2nc3ccccc3s2)c2ccc(Oc3ccccc3)cc2)s1 ZINC000003348644 556813590 /nfs/dbraw/zinc/81/35/90/556813590.db2.gz WEAHUYSBXSLWGR-UHFFFAOYSA-N 0 0 442.565 7.437 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003352434 556813792 /nfs/dbraw/zinc/81/37/92/556813792.db2.gz SFXQEZBXTVCFOC-VAWYXSNFSA-N 0 0 444.840 6.263 50 0 IKAARN COc1cccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000003352468 556813852 /nfs/dbraw/zinc/81/38/52/556813852.db2.gz AZVHIHYTKXDYHY-UHFFFAOYSA-N 0 0 428.410 5.148 50 0 IKAARN O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003352894 556813883 /nfs/dbraw/zinc/81/38/83/556813883.db2.gz VKEPZDNXXGUITL-UHFFFAOYSA-N 0 0 439.147 5.574 50 0 IKAARN O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000003399863 556814410 /nfs/dbraw/zinc/81/44/10/556814410.db2.gz GZZYXKISGVSQJO-UHFFFAOYSA-N 0 0 428.271 5.020 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 ZINC000003403296 556814429 /nfs/dbraw/zinc/81/44/29/556814429.db2.gz ANPAEYCEKMFMEC-UHFFFAOYSA-N 0 0 442.968 5.181 50 0 IKAARN CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000003408116 556814684 /nfs/dbraw/zinc/81/46/84/556814684.db2.gz OSWFGJZLEXOAOG-UHFFFAOYSA-N 0 0 443.499 5.335 50 0 IKAARN CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000003427872 556815228 /nfs/dbraw/zinc/81/52/28/556815228.db2.gz PBRJXVBOUZDFRS-UHFFFAOYSA-N 0 0 427.401 5.155 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1C ZINC000003431494 556815433 /nfs/dbraw/zinc/81/54/33/556815433.db2.gz DIKGFFCTPJKJLX-UHFFFAOYSA-N 0 0 447.991 6.488 50 0 IKAARN COc1cc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC000003433996 556815441 /nfs/dbraw/zinc/81/54/41/556815441.db2.gz UFTRKPPPOOISDT-LLVKDONJSA-N 0 0 433.282 5.062 50 0 IKAARN Cc1ccc(-c2cc3nc(SC[C@H]4CCCO4)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC000003440530 556815540 /nfs/dbraw/zinc/81/55/40/556815540.db2.gz LSSTVLYVPLNVPE-HXUWFJFHSA-N 0 0 448.613 5.753 50 0 IKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCn2ccnc2)cc1 ZINC000021797911 556815655 /nfs/dbraw/zinc/81/56/55/556815655.db2.gz SHJUFPABOGLHBI-UHFFFAOYSA-N 0 0 428.927 5.440 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000003442050 556815714 /nfs/dbraw/zinc/81/57/14/556815714.db2.gz SISIINBODPOVOP-UHFFFAOYSA-N 0 0 444.314 6.001 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000005477836 556815780 /nfs/dbraw/zinc/81/57/80/556815780.db2.gz XUXZMSUIHGSGOL-SFHVURJKSA-N 0 0 429.568 5.409 50 0 IKAARN CCCOc1c(Br)cc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1OC ZINC000003449783 556816090 /nfs/dbraw/zinc/81/60/90/556816090.db2.gz BFWZAFFUIAEPGP-UHFFFAOYSA-N 0 0 449.341 5.211 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000021809304 556816231 /nfs/dbraw/zinc/81/62/31/556816231.db2.gz UHDLAJGILRULOR-RAWGQGSESA-N 0 0 435.593 5.125 50 0 IKAARN C[C@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003379084 556816295 /nfs/dbraw/zinc/81/62/95/556816295.db2.gz ZUJZWWXYCGMUSF-AWEZNQCLSA-N 0 0 429.303 5.921 50 0 IKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000033059934 556816368 /nfs/dbraw/zinc/81/63/68/556816368.db2.gz YWBULSRNYNZXLC-UHFFFAOYSA-N 0 0 429.589 5.799 50 0 IKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000033059918 556816486 /nfs/dbraw/zinc/81/64/86/556816486.db2.gz KZDWVLDSYPBVCY-HXUWFJFHSA-N 0 0 444.604 5.363 50 0 IKAARN CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)C1CCCCC1 ZINC000003506420 556816779 /nfs/dbraw/zinc/81/67/79/556816779.db2.gz IHPSGXYQGSTPGB-UHFFFAOYSA-N 0 0 432.659 5.319 50 0 IKAARN CC[C@@H](C)n1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O ZINC000003507400 556816873 /nfs/dbraw/zinc/81/68/73/556816873.db2.gz KQRQQAQSHLWBOU-LLVKDONJSA-N 0 0 437.384 5.167 50 0 IKAARN CC1(C)Cc2cc(NC(=O)N3C[C@H](c4ccccc4)C(c4ccc(Cl)cc4)=N3)ccc2O1 ZINC000034263742 556817032 /nfs/dbraw/zinc/81/70/32/556817032.db2.gz RPVFDUWOIUNTHC-JOCHJYFZSA-N 0 0 445.950 6.089 50 0 IKAARN CC1(C)Cc2cc(NC(=O)N3C[C@@H](c4ccccc4)C(c4ccc(Cl)cc4)=N3)ccc2O1 ZINC000034263743 556817052 /nfs/dbraw/zinc/81/70/52/556817052.db2.gz RPVFDUWOIUNTHC-QFIPXVFZSA-N 0 0 445.950 6.089 50 0 IKAARN CCCCc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 ZINC000003530289 556817414 /nfs/dbraw/zinc/81/74/14/556817414.db2.gz YMNYPNNVLARZMX-HMMYKYKNSA-N 0 0 425.575 5.875 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033062330 556818039 /nfs/dbraw/zinc/81/80/39/556818039.db2.gz UEGOTVKSBFYYLU-FQEVSTJZSA-N 0 0 449.938 5.792 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000033062342 556818059 /nfs/dbraw/zinc/81/80/59/556818059.db2.gz VLFOLFXXLWAZQP-FQEVSTJZSA-N 0 0 449.938 5.792 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccccc2Cl)c2c[nH]c3ccccc32)cc1OC ZINC000033062334 556818103 /nfs/dbraw/zinc/81/81/03/556818103.db2.gz GDWKYAVJXUSKKF-SFHVURJKSA-N 0 0 449.938 5.792 50 0 IKAARN CC(C)(C)P(=NC(=S)N1CCCCCC1)(N1CCCCCC1)N1CCCCCC1 ZINC000005496382 556818361 /nfs/dbraw/zinc/81/83/61/556818361.db2.gz QUPRPVWTUSSKEV-UHFFFAOYSA-N 0 0 440.682 6.729 50 0 IKAARN Cc1ccc2c(=O)cc(CSc3nnc(COc4ccc(C(C)C)cc4)n3C)[nH]c2c1C ZINC000033064371 556818990 /nfs/dbraw/zinc/81/89/90/556818990.db2.gz BHIHHFWTWINKTC-UHFFFAOYSA-N 0 0 448.592 5.268 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3c2C1 ZINC000005508712 556819203 /nfs/dbraw/zinc/81/92/03/556819203.db2.gz YGUDNDMRQRUJAA-GOSISDBHSA-N 0 0 425.594 6.392 50 0 IKAARN Cc1cc(C)c2c(=O)cc(CSc3nnc(COc4ccc(C(C)C)cc4)n3C)[nH]c2c1 ZINC000033067689 556819193 /nfs/dbraw/zinc/81/91/93/556819193.db2.gz RUEULRKGXDNFMC-UHFFFAOYSA-N 0 0 448.592 5.268 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)c1C ZINC000033067929 556820289 /nfs/dbraw/zinc/82/02/89/556820289.db2.gz LECCNHZMCIRFJK-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccccc4Cl)ccc3C)nc2c1 ZINC000033068080 556820516 /nfs/dbraw/zinc/82/05/16/556820516.db2.gz RBCIKTLGJIUEEZ-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4cccc(C)c4C)ccc3C)nc2c1 ZINC000033068082 556820678 /nfs/dbraw/zinc/82/06/78/556820678.db2.gz LPPINSNOMUTIQO-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN Fc1cccc(Cl)c1CN1CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC000063587560 556821112 /nfs/dbraw/zinc/82/11/12/556821112.db2.gz KTGQLRHIQBYNRN-UHFFFAOYSA-N 0 0 444.988 5.535 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)cc1C ZINC000033068259 556821500 /nfs/dbraw/zinc/82/15/00/556821500.db2.gz YZGQVPBGSKVNOV-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)sc1C ZINC000064450503 556824189 /nfs/dbraw/zinc/82/41/89/556824189.db2.gz OJANYHFHBGFUTL-UHFFFAOYSA-N 0 0 443.525 5.128 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1F)N1CCCC1 ZINC000064472007 556824375 /nfs/dbraw/zinc/82/43/75/556824375.db2.gz PVZAHQSSBSVSGB-UHFFFAOYSA-N 0 0 448.723 5.769 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000064661955 556825695 /nfs/dbraw/zinc/82/56/95/556825695.db2.gz QUQSIWHQSFCBKZ-SANMLTNESA-N 0 0 443.572 5.001 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000064662187 556826125 /nfs/dbraw/zinc/82/61/25/556826125.db2.gz IZOIBFLRHGLGQJ-VWLOTQADSA-N 0 0 435.593 5.133 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1C ZINC000064662183 556826143 /nfs/dbraw/zinc/82/61/43/556826143.db2.gz VLOCLDCDZXTNAJ-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000064662223 556826167 /nfs/dbraw/zinc/82/61/67/556826167.db2.gz CQLDZNMCESPCDF-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN COc1cccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)c1OC ZINC000064790084 556826637 /nfs/dbraw/zinc/82/66/37/556826637.db2.gz GKFQXTKAJYBXNU-OAQYLSRUSA-N 0 0 449.532 5.516 50 0 IKAARN Cn1c(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc2ccccc21 ZINC000062532497 556827386 /nfs/dbraw/zinc/82/73/86/556827386.db2.gz DRGHWDMSGLNRDY-UHFFFAOYSA-N 0 0 446.117 5.587 50 0 IKAARN Cc1cccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)c1 ZINC000064816965 556827726 /nfs/dbraw/zinc/82/77/26/556827726.db2.gz QPELHNAUNRAFMI-UHFFFAOYSA-N 0 0 446.576 5.081 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1 ZINC000064816992 556827729 /nfs/dbraw/zinc/82/77/29/556827729.db2.gz JBOMIBZZQMMULK-UHFFFAOYSA-N 0 0 432.549 5.403 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)N(C)Cc2ccccc2)cc1 ZINC000033068654 556828840 /nfs/dbraw/zinc/82/88/40/556828840.db2.gz PMVGMNWPVGCYOS-UHFFFAOYSA-N 0 0 427.573 5.280 50 0 IKAARN COc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(C)cc2)c1 ZINC000033068697 556829156 /nfs/dbraw/zinc/82/91/56/556829156.db2.gz UEPGIRGUUZWQPD-UHFFFAOYSA-N 0 0 429.545 5.268 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002206 556830522 /nfs/dbraw/zinc/83/05/22/556830522.db2.gz JKVCJZIXPMEWDC-UHFFFAOYSA-N 0 0 446.570 5.153 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(CC(O)c2ccc(Br)cc2)C3CCC1 ZINC000019595347 556830760 /nfs/dbraw/zinc/83/07/60/556830760.db2.gz ZMUNWOYASSHYBX-FGZHOGPDSA-N 0 0 425.370 5.139 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)c2ccc(Br)cc2)[C@@H]3CCC1 ZINC000019595348 556830798 /nfs/dbraw/zinc/83/07/98/556830798.db2.gz ZMUNWOYASSHYBX-YADHBBJMSA-N 0 0 425.370 5.139 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)no1 ZINC000065005127 556831865 /nfs/dbraw/zinc/83/18/65/556831865.db2.gz YCYPUITXOATTOD-HXUWFJFHSA-N 0 0 437.883 5.902 50 0 IKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4cccc(NC(C)=O)c4C)n3)cc2)cc1 ZINC000065005263 556831890 /nfs/dbraw/zinc/83/18/90/556831890.db2.gz PLTSSIRQMAVMHP-UHFFFAOYSA-N 0 0 442.475 5.421 50 0 IKAARN Cc1ccc(Oc2ccc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc2)cc1 ZINC000065005144 556831968 /nfs/dbraw/zinc/83/19/68/556831968.db2.gz FQKQVHWAXYADCB-UHFFFAOYSA-N 0 0 437.455 6.350 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccccc1)NCCCc1ccccc1 ZINC000033068782 556832150 /nfs/dbraw/zinc/83/21/50/556832150.db2.gz DRUQVQOZYUSFEL-UHFFFAOYSA-N 0 0 427.573 5.062 50 0 IKAARN COc1cc(OC)cc(-c2nc(-c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)no2)c1 ZINC000065005287 556832181 /nfs/dbraw/zinc/83/21/81/556832181.db2.gz ZUMSPPRTDDZIGF-UHFFFAOYSA-N 0 0 431.448 5.172 50 0 IKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(Br)o4)n3)cc2)cc1 ZINC000065005281 556832208 /nfs/dbraw/zinc/83/22/08/556832208.db2.gz VMXWVHZFQWHKNF-UHFFFAOYSA-N 0 0 440.253 5.510 50 0 IKAARN CCn1c(SCc2c(F)cccc2Cl)nnc1[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000019631328 556832559 /nfs/dbraw/zinc/83/25/59/556832559.db2.gz HXQUSEKAWRELLX-CYBMUJFWSA-N 0 0 440.371 6.485 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)cc1 ZINC000033068823 556832702 /nfs/dbraw/zinc/83/27/02/556832702.db2.gz ICHWNMSOTOENFN-UHFFFAOYSA-N 0 0 447.991 5.591 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000033068844 556832736 /nfs/dbraw/zinc/83/27/36/556832736.db2.gz RAMYSEWZQMNIFI-UHFFFAOYSA-N 0 0 440.012 5.757 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000033068818 556832766 /nfs/dbraw/zinc/83/27/66/556832766.db2.gz ZFVBOZTYACSNQM-UHFFFAOYSA-N 0 0 447.991 6.167 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000033068863 556832895 /nfs/dbraw/zinc/83/28/95/556832895.db2.gz ZKZXGMLPLWBYRW-UHFFFAOYSA-N 0 0 435.499 5.254 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000205676514 556832931 /nfs/dbraw/zinc/83/29/31/556832931.db2.gz ZYRICNOXQSJRLW-HYARGMPZSA-N 0 0 447.918 5.971 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(C)c(C)c3)c(NCc3cccc(C)c3)n2c1C ZINC000065315828 556833222 /nfs/dbraw/zinc/83/32/22/556833222.db2.gz YXVWDIICFOHNGV-UHFFFAOYSA-N 0 0 433.577 6.085 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(C)cc3C)c(NCc3ccc(C)cc3)n2c1C ZINC000065315874 556833363 /nfs/dbraw/zinc/83/33/63/556833363.db2.gz SREIHDZQAPFQMV-UHFFFAOYSA-N 0 0 433.577 6.085 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(OC)c3)c(NCc3cccc(F)c3)n2c1C ZINC000065315884 556833376 /nfs/dbraw/zinc/83/33/76/556833376.db2.gz YWEWLZKBCMBWFJ-UHFFFAOYSA-N 0 0 439.512 5.308 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(COc2cc(Br)cc(Br)c2)CC1 ZINC000065337413 556833524 /nfs/dbraw/zinc/83/35/24/556833524.db2.gz KFYHCQLOMWOCOI-UHFFFAOYSA-N 0 0 449.183 5.238 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)c(NC3CCCCC3)n2c1C ZINC000065318757 556833614 /nfs/dbraw/zinc/83/36/14/556833614.db2.gz QXZTWCSRTMFENU-UHFFFAOYSA-N 0 0 441.597 6.080 50 0 IKAARN O=C1[C@@H](C(OCc2ccccc2)=C(F)F)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000096558276 556833779 /nfs/dbraw/zinc/83/37/79/556833779.db2.gz IDIIHBWOYSCLKB-NHCUHLMSSA-N 0 0 425.862 6.369 50 0 IKAARN CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1Cl ZINC000019634874 556834668 /nfs/dbraw/zinc/83/46/68/556834668.db2.gz ULRWGBREVXEYJH-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000019635180 556834705 /nfs/dbraw/zinc/83/47/05/556834705.db2.gz WAQMKGXQLHKXKJ-UHFFFAOYSA-N 0 0 441.987 7.600 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(=O)OC)C1 ZINC000019635481 556834829 /nfs/dbraw/zinc/83/48/29/556834829.db2.gz ZGDRDVAKWZHPIW-NSHDSACASA-N 0 0 442.364 5.374 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 ZINC000019636709 556835507 /nfs/dbraw/zinc/83/55/07/556835507.db2.gz COJGUOSVDGTCDK-UHFFFAOYSA-N 0 0 442.562 6.984 50 0 IKAARN CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)CC)C3)cc1 ZINC000019639092 556836673 /nfs/dbraw/zinc/83/66/73/556836673.db2.gz QDUNMFKTPQQEFK-QGZVFWFLSA-N 0 0 443.609 5.656 50 0 IKAARN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000019638865 556836743 /nfs/dbraw/zinc/83/67/43/556836743.db2.gz HICCVOGWTQPKJE-UHFFFAOYSA-N 0 0 443.572 5.324 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000062580983 556836758 /nfs/dbraw/zinc/83/67/58/556836758.db2.gz UGHGFLMZBZYQDP-NRFANRHFSA-N 0 0 436.625 5.406 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1Cl ZINC000062581167 556836961 /nfs/dbraw/zinc/83/69/61/556836961.db2.gz CYUMYRMNKFVDJT-UHFFFAOYSA-N 0 0 438.314 6.107 50 0 IKAARN CCOc1ccc([C@H]2Cc3nc4oc(-c5ccccc5Cl)cc4c(N)c3C(=O)C2)cc1 ZINC000334160872 556837039 /nfs/dbraw/zinc/83/70/39/556837039.db2.gz NYQYAPFALMDZAX-HNNXBMFYSA-N 0 0 432.907 6.042 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc32)c(OC)c1 ZINC000019640505 556837194 /nfs/dbraw/zinc/83/71/94/556837194.db2.gz UOHILOBRARAREW-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5c(cnc6c7c(cccc7F)nn65)C[C@]4(C)[C@H]3CC[C@]21C ZINC000334161534 556837167 /nfs/dbraw/zinc/83/71/67/556837167.db2.gz DAWPFPOCBDCGER-VYWGRXSHSA-N 0 0 447.598 5.730 50 0 IKAARN CCc1c(-c2ccc(OC)c(OC)c2)nn(-c2ccccc2)c1-c1ccc(OC)c(OC)c1 ZINC000019641089 556837301 /nfs/dbraw/zinc/83/73/01/556837301.db2.gz DVSFAOPXGGPCSD-UHFFFAOYSA-N 0 0 444.531 5.803 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3cccc(C)c3)n2)c(OC)c1 ZINC000019641031 556837316 /nfs/dbraw/zinc/83/73/16/556837316.db2.gz HEHVSFQSAKDRJZ-UHFFFAOYSA-N 0 0 444.531 5.608 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC ZINC000019641065 556837343 /nfs/dbraw/zinc/83/73/43/556837343.db2.gz YANYLCFDZZIKOG-UHFFFAOYSA-N 0 0 444.531 5.858 50 0 IKAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccc(Br)cc2Cl)cc1 ZINC000019642131 556837841 /nfs/dbraw/zinc/83/78/41/556837841.db2.gz NHKCGQBOZSFUNI-UHFFFAOYSA-N 0 0 444.782 5.544 50 0 IKAARN Cc1ccc([C@@H]2Nc3c(sc4nc(C(F)(F)F)cc(-c5cccs5)c43)C(=O)N2)cc1 ZINC000019643364 556838066 /nfs/dbraw/zinc/83/80/66/556838066.db2.gz TVCWYCZZASNAFW-GOSISDBHSA-N 0 0 445.491 6.206 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)c3cc(Br)ccc3n2)cc1 ZINC000019642885 556838135 /nfs/dbraw/zinc/83/81/35/556838135.db2.gz PANYLYCIJHZMJK-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN COc1cc(N)c2nc(Oc3ccc(Cl)cc3)ccc2c1Oc1ccc(Cl)cc1 ZINC000096602676 556838372 /nfs/dbraw/zinc/83/83/72/556838372.db2.gz VUHBLUGNMFWLHG-UHFFFAOYSA-N 0 0 427.287 6.717 50 0 IKAARN O=C(c1ccccc1-c1ccc(C(F)(F)F)cn1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000022996647 556838918 /nfs/dbraw/zinc/83/89/18/556838918.db2.gz ULSXPADURVBAOI-UHFFFAOYSA-N 0 0 445.872 5.383 50 0 IKAARN O=C(Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCCC3)c1cc2c(s1)CCCCC2 ZINC000019644001 556839005 /nfs/dbraw/zinc/83/90/05/556839005.db2.gz HLGPLDFHAUYVJM-UHFFFAOYSA-N 0 0 445.635 5.104 50 0 IKAARN CCc1c(C)sc2[nH]c(=S)n(-c3c(C)nn(-c4cccc5ccccc54)c3C)c(=O)c12 ZINC000019645084 556839643 /nfs/dbraw/zinc/83/96/43/556839643.db2.gz DTXXYKJLEKIRPM-UHFFFAOYSA-N 0 0 446.601 5.936 50 0 IKAARN COc1ccc(C)cc1NC(=S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000019645271 556839794 /nfs/dbraw/zinc/83/97/94/556839794.db2.gz BAZBDOLDCWIEBP-UHFFFAOYSA-N 0 0 446.616 5.349 50 0 IKAARN O=C(Cc1ccccc1)NC1CCC(CC2CCC(NC(=O)Cc3ccccc3)CC2)CC1 ZINC000019645324 556839805 /nfs/dbraw/zinc/83/98/05/556839805.db2.gz CUWVEBGAACLTJW-UHFFFAOYSA-N 0 0 446.635 5.212 50 0 IKAARN COc1ccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)cc1 ZINC000019645696 556840070 /nfs/dbraw/zinc/84/00/70/556840070.db2.gz BUUAKDQSQYBSLR-UHFFFAOYSA-N 0 0 447.376 6.653 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3)c2C)cc1 ZINC000019645652 556840090 /nfs/dbraw/zinc/84/00/90/556840090.db2.gz SNDWMYQNRNLJIE-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN COc1ccc(Cl)cc1-c1nnc(SCc2csc(-c3ccc(F)cc3)n2)n1C ZINC000019645457 556840119 /nfs/dbraw/zinc/84/01/19/556840119.db2.gz FLCJOTYDHWLVDJ-UHFFFAOYSA-N 0 0 446.960 5.699 50 0 IKAARN COC(=O)c1ccn(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)n1 ZINC000019648325 556841337 /nfs/dbraw/zinc/84/13/37/556841337.db2.gz MIZUQHXNNLQWMO-UHFFFAOYSA-N 0 0 448.954 5.593 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)cc1)CCN(Cc1ccccc1)C3 ZINC000019683206 556841761 /nfs/dbraw/zinc/84/17/61/556841761.db2.gz KELZNQUFXXKEPZ-UHFFFAOYSA-N 0 0 448.979 5.343 50 0 IKAARN CCOC(=O)C1=C(C)N2C(=NC3=C(CCC/C3=C/c3ccccc3)[C@@H]2c2ccccc2)S1 ZINC000067172428 556841900 /nfs/dbraw/zinc/84/19/00/556841900.db2.gz UFSZFJVOVRAILX-DEZPSGRBSA-N 0 0 442.584 6.462 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 ZINC000008719138 556842891 /nfs/dbraw/zinc/84/28/91/556842891.db2.gz PCZHNEZDVRYCJB-QHCPKHFHSA-N 0 0 429.545 5.749 50 0 IKAARN CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000008734898 556842987 /nfs/dbraw/zinc/84/29/87/556842987.db2.gz RTLFYLIWGKQDDE-SANMLTNESA-N 0 0 436.515 5.251 50 0 IKAARN CCOc1ccc(Nc2nc(-c3cn4ncc(-c5ccccc5)c4nc3C)ns2)cc1 ZINC000067630994 556845470 /nfs/dbraw/zinc/84/54/70/556845470.db2.gz PNKYOLFZXCFHJN-UHFFFAOYSA-N 0 0 428.521 5.366 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1Cl ZINC000008735770 556846332 /nfs/dbraw/zinc/84/63/32/556846332.db2.gz TWAQOTYUHWCICZ-OAHLLOKOSA-N 0 0 444.988 5.666 50 0 IKAARN CCCN(CC)C(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c(C)c2-c2nnc(C)o2)cc1 ZINC000096803812 556846333 /nfs/dbraw/zinc/84/63/33/556846333.db2.gz LCHRMUHXFKZLJB-UHFFFAOYSA-N 0 0 447.514 5.217 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1Cl ZINC000008735769 556846431 /nfs/dbraw/zinc/84/64/31/556846431.db2.gz TWAQOTYUHWCICZ-HNNXBMFYSA-N 0 0 444.988 5.666 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2ccccc2C(F)(F)F)cs1)c1ccc(C)c(C)c1 ZINC000008825934 556849303 /nfs/dbraw/zinc/84/93/03/556849303.db2.gz PRSMBYYPZWKMBV-UHFFFAOYSA-N 0 0 448.466 5.820 50 0 IKAARN COc1ccc(C(=O)Oc2cc3c(cc2C(C)=O)n(-c2ccccc2)c(C)c3C(C)=O)cc1 ZINC000068755234 556849776 /nfs/dbraw/zinc/84/97/76/556849776.db2.gz VACSTNVULYTPQQ-UHFFFAOYSA-N 0 0 441.483 5.572 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3c(C)cccc3C)cs2)cc(OC)c1 ZINC000008853750 556850214 /nfs/dbraw/zinc/85/02/14/556850214.db2.gz GXPRFNUFDGODOS-UHFFFAOYSA-N 0 0 428.579 5.251 50 0 IKAARN CC(=O)N(c1nc(CSc2n[nH]c(-c3ccc(C)cc3)n2)cs1)c1cccc(C)c1 ZINC000008966174 556851906 /nfs/dbraw/zinc/85/19/06/556851906.db2.gz AGXCLZUENFQCKB-UHFFFAOYSA-N 0 0 435.578 5.522 50 0 IKAARN COc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4ccc(F)cc4s3)oc21 ZINC000008962700 556851957 /nfs/dbraw/zinc/85/19/57/556851957.db2.gz OJLXHVKSTKSUBI-UHFFFAOYSA-N 0 0 433.464 5.432 50 0 IKAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000033072484 556852236 /nfs/dbraw/zinc/85/22/36/556852236.db2.gz WNYXGOLKWHEJLH-UHFFFAOYSA-N 0 0 438.453 5.460 50 0 IKAARN Cc1ccc(Cn2c(CCCC(=O)NCCc3ccc(Cl)cc3)nc3cccnc32)cc1 ZINC000033072619 556852256 /nfs/dbraw/zinc/85/22/56/556852256.db2.gz CMIYHQPXUZXJML-UHFFFAOYSA-N 0 0 446.982 5.123 50 0 IKAARN CCOc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1 ZINC000033072660 556852266 /nfs/dbraw/zinc/85/22/66/556852266.db2.gz WSJLVCLUOWNUSZ-UHFFFAOYSA-N 0 0 428.536 5.148 50 0 IKAARN C=Cc1ccc(CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2CC(C)C)cc1 ZINC000033076973 556853053 /nfs/dbraw/zinc/85/30/53/556853053.db2.gz FJJSIKVYAYOMDS-UHFFFAOYSA-N 0 0 435.593 5.126 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1Cl)c1ccc(Br)o1 ZINC000033084423 556855501 /nfs/dbraw/zinc/85/55/01/556855501.db2.gz AGYARDRIDDCTIT-UHFFFAOYSA-N 0 0 433.714 6.225 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000033084420 556855552 /nfs/dbraw/zinc/85/55/52/556855552.db2.gz CLEGJBBJDRGSJD-UHFFFAOYSA-N 0 0 447.519 7.024 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088383 556856215 /nfs/dbraw/zinc/85/62/15/556856215.db2.gz HTZHYNRPDUPUFN-UHFFFAOYSA-N 0 0 449.795 5.163 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000033085616 556856440 /nfs/dbraw/zinc/85/64/40/556856440.db2.gz KVXMOJDAMLVIGR-UHFFFAOYSA-N 0 0 436.490 5.669 50 0 IKAARN Cc1cc(C)c(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(C)c1 ZINC000033088584 556857990 /nfs/dbraw/zinc/85/79/90/556857990.db2.gz BVQIGPMQKDLJMS-UHFFFAOYSA-N 0 0 431.443 5.049 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 ZINC000033089200 556858225 /nfs/dbraw/zinc/85/82/25/556858225.db2.gz HFXSCLYESRBCMA-ZDUSSCGKSA-N 0 0 425.326 5.257 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)c3cc(C)ccc3n2)cc1 ZINC000033106324 556858852 /nfs/dbraw/zinc/85/88/52/556858852.db2.gz YLPFZYWXUPVTLN-UHFFFAOYSA-N 0 0 437.499 5.624 50 0 IKAARN CSc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc32)cc1 ZINC000033106319 556858891 /nfs/dbraw/zinc/85/88/91/556858891.db2.gz JDSAXFQMCXIBJS-UHFFFAOYSA-N 0 0 441.556 5.512 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc21 ZINC000033106317 556858904 /nfs/dbraw/zinc/85/89/04/556858904.db2.gz CPQSIJSKZZSCFF-UHFFFAOYSA-N 0 0 439.515 5.189 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106581 556859223 /nfs/dbraw/zinc/85/92/23/556859223.db2.gz JHYBVNXIRBNQAC-UHFFFAOYSA-N 0 0 439.563 5.001 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c(C)c1 ZINC000033113247 556859899 /nfs/dbraw/zinc/85/98/99/556859899.db2.gz ICYGIQBSUSBECV-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cc(C)cc(C)c4)C3)s2)cc1 ZINC000033113296 556859908 /nfs/dbraw/zinc/85/99/08/556859908.db2.gz YGCBQYXWOMEYKM-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN CCOC(=O)c1c2ccc(Br)c(OCc3ccccc3)c2sc1NC(C)=O ZINC000033113662 556860325 /nfs/dbraw/zinc/86/03/25/556860325.db2.gz HIORZFYMUUOECR-UHFFFAOYSA-N 0 0 448.338 5.378 50 0 IKAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113762 556860738 /nfs/dbraw/zinc/86/07/38/556860738.db2.gz IBGAEBGQRDIKTB-UHFFFAOYSA-N 0 0 445.544 5.360 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033114051 556860894 /nfs/dbraw/zinc/86/08/94/556860894.db2.gz PBRWCTRXGUYEMU-UHFFFAOYSA-N 0 0 449.580 5.073 50 0 IKAARN Cc1ccc(CNc2nc3ccccc3nc2S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000033114436 556861320 /nfs/dbraw/zinc/86/13/20/556861320.db2.gz MSJSZJKASKBXMJ-UHFFFAOYSA-N 0 0 437.952 5.178 50 0 IKAARN C[C@H](Nc1nc2ccccc2nc1S(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033114418 556861325 /nfs/dbraw/zinc/86/13/25/556861325.db2.gz CHCIHOQORKWMNX-INIZCTEOSA-N 0 0 437.952 5.430 50 0 IKAARN COc1ccc(Nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000004668054 556862453 /nfs/dbraw/zinc/86/24/53/556862453.db2.gz NSIDVGLBFXMCIM-IBGZPJMESA-N 0 0 425.532 5.738 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1C ZINC000033116549 556862468 /nfs/dbraw/zinc/86/24/68/556862468.db2.gz IAWVXHRROBJEDO-UHFFFAOYSA-N 0 0 447.604 5.393 50 0 IKAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C ZINC000033121839 556862742 /nfs/dbraw/zinc/86/27/42/556862742.db2.gz TYARNFZGBAVRER-UHFFFAOYSA-N 0 0 431.565 5.442 50 0 IKAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)c1C ZINC000033122117 556862954 /nfs/dbraw/zinc/86/29/54/556862954.db2.gz OUWDFXHHVQCZIT-UHFFFAOYSA-N 0 0 442.907 5.329 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)c1 ZINC000033122131 556862997 /nfs/dbraw/zinc/86/29/97/556862997.db2.gz ZHBXLFXLQSLDLV-UHFFFAOYSA-N 0 0 436.566 5.258 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033122137 556863008 /nfs/dbraw/zinc/86/30/08/556863008.db2.gz YIGLTMCXVFKMFD-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc(Sc2c(CC)c(C)nc3ncnn32)cc1 ZINC000033122145 556863077 /nfs/dbraw/zinc/86/30/77/556863077.db2.gz LFVOUAYSGCAKFX-UHFFFAOYSA-N 0 0 448.552 5.189 50 0 IKAARN O=C(NCc1sccc1Br)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000060453917 556863307 /nfs/dbraw/zinc/86/33/07/556863307.db2.gz KZJCLMMVDJXCAI-UHFFFAOYSA-N 0 0 439.334 5.763 50 0 IKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)Nc1ccc(Br)cc1F ZINC000033123950 556864295 /nfs/dbraw/zinc/86/42/95/556864295.db2.gz QJZNKEYKIGRWHX-UHFFFAOYSA-N 0 0 442.263 6.520 50 0 IKAARN COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033124162 556864298 /nfs/dbraw/zinc/86/42/98/556864298.db2.gz AWNYAHGHCQEHLP-UHFFFAOYSA-N 0 0 437.908 6.047 50 0 IKAARN N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019706669 556865016 /nfs/dbraw/zinc/86/50/16/556865016.db2.gz CFCAWNLIUUIUBK-NRFANRHFSA-N 0 0 446.765 5.664 50 0 IKAARN Cc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)cc1Cl ZINC000033128430 556865550 /nfs/dbraw/zinc/86/55/50/556865550.db2.gz CJWMIFQEISBMAP-UHFFFAOYSA-N 0 0 427.957 5.049 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1ccc(=O)n(-c2ccc(C(C)C)cc2)n1 ZINC000033128429 556865569 /nfs/dbraw/zinc/86/55/69/556865569.db2.gz PTLFQJITOGHTBB-UHFFFAOYSA-N 0 0 427.957 5.049 50 0 IKAARN N=c1n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccccc1Cl ZINC000019706899 556865724 /nfs/dbraw/zinc/86/57/24/556865724.db2.gz BMMGOCNWJXRCPV-UHFFFAOYSA-N 0 0 444.749 5.814 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033128671 556865758 /nfs/dbraw/zinc/86/57/58/556865758.db2.gz JRQALMFXFZAMPD-UHFFFAOYSA-N 0 0 443.503 5.019 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccsc3C(=O)OC)cc21 ZINC000033129208 556866131 /nfs/dbraw/zinc/86/61/31/556866131.db2.gz NEIZQFXKPYSXMG-UHFFFAOYSA-N 0 0 447.516 5.793 50 0 IKAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cccc(Br)c1 ZINC000033129059 556866143 /nfs/dbraw/zinc/86/61/43/556866143.db2.gz DGBJNNQXEKNEHW-UHFFFAOYSA-N 0 0 443.391 5.717 50 0 IKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000033129173 556866160 /nfs/dbraw/zinc/86/61/60/556866160.db2.gz DHKXCBSUPUFNPJ-UHFFFAOYSA-N 0 0 437.421 6.573 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(SC)c3)cc21 ZINC000033129203 556866163 /nfs/dbraw/zinc/86/61/63/556866163.db2.gz UFMIKDKCRQPHBV-UHFFFAOYSA-N 0 0 429.545 6.666 50 0 IKAARN CCCn1c(CCc2cccc(NC(=O)Nc3cc(C)cc(C)c3)c2)nc2ccccc21 ZINC000033126401 556867023 /nfs/dbraw/zinc/86/70/23/556867023.db2.gz LEIVOHRPOMEDFO-UHFFFAOYSA-N 0 0 426.564 6.492 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1C ZINC000033126817 556867347 /nfs/dbraw/zinc/86/73/47/556867347.db2.gz PRIMFKYHMMDFSX-UHFFFAOYSA-N 0 0 428.532 5.349 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126481 556867402 /nfs/dbraw/zinc/86/74/02/556867402.db2.gz RDDCDMVUEKFSHX-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1 ZINC000033126462 556867417 /nfs/dbraw/zinc/86/74/17/556867417.db2.gz BVIPXXBLBNTHRF-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN CC1CCC(N2CC(=O)N(C3CCCCCCC3)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000004672778 556868078 /nfs/dbraw/zinc/86/80/78/556868078.db2.gz DQBJLWGMDHJZJD-DLUKIOLESA-N 0 0 431.020 5.744 50 0 IKAARN COc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCCCCC2)cc1 ZINC000004672952 556868173 /nfs/dbraw/zinc/86/81/73/556868173.db2.gz YVKXJZDEJBMURB-RUZDIDTESA-N 0 0 426.601 5.243 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCCc3ccccc3)ccc21 ZINC000004674150 556868309 /nfs/dbraw/zinc/86/83/09/556868309.db2.gz QFYXHJKVOBTDLY-UHFFFAOYSA-N 0 0 427.548 5.282 50 0 IKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc21 ZINC000033129257 556868320 /nfs/dbraw/zinc/86/83/20/556868320.db2.gz OZNOCNCXUBBHSN-UHFFFAOYSA-N 0 0 431.923 6.825 50 0 IKAARN O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)Nc1ccc2c(c1)OCO2 ZINC000033129547 556868607 /nfs/dbraw/zinc/86/86/07/556868607.db2.gz WPADWAGKQRZHKR-UHFFFAOYSA-N 0 0 438.509 5.188 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129522 556868644 /nfs/dbraw/zinc/86/86/44/556868644.db2.gz XXJMXTUBUARQGI-UHFFFAOYSA-N 0 0 434.546 5.915 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1OC ZINC000033129486 556868730 /nfs/dbraw/zinc/86/87/30/556868730.db2.gz JMJOGOKFHOJOLF-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1 ZINC000033130020 556869548 /nfs/dbraw/zinc/86/95/48/556869548.db2.gz JMUNFDQLXXRXHM-UHFFFAOYSA-N 0 0 434.561 5.089 50 0 IKAARN O=C(Nc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000033130071 556869684 /nfs/dbraw/zinc/86/96/84/556869684.db2.gz VCMCZBMFNZKWRC-UHFFFAOYSA-N 0 0 442.540 5.084 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCCC4=CCCCC4)c3)n2)cc1 ZINC000033130478 556870306 /nfs/dbraw/zinc/87/03/06/556870306.db2.gz UDKCUFQCKOOFKD-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130448 556870349 /nfs/dbraw/zinc/87/03/49/556870349.db2.gz WQMOPKSOAUJRLN-UHFFFAOYSA-N 0 0 429.907 5.562 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)n1 ZINC000033130380 556870398 /nfs/dbraw/zinc/87/03/98/556870398.db2.gz KXTLHEGEDNLLBU-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)n1 ZINC000033130373 556870419 /nfs/dbraw/zinc/87/04/19/556870419.db2.gz FWJZJIXQMOPEKN-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCc4cccc(C)c4)c3)n2)cc1 ZINC000033130507 556870613 /nfs/dbraw/zinc/87/06/13/556870613.db2.gz ZKMNBGALBFVAGH-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccccc4OC)c3)n2)c1 ZINC000033130571 556870829 /nfs/dbraw/zinc/87/08/29/556870829.db2.gz MNAFSZKKQVCZHQ-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)n2)c1 ZINC000033130569 556870863 /nfs/dbraw/zinc/87/08/63/556870863.db2.gz ZVODYCSHKQDYRP-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)c1 ZINC000033130578 556870882 /nfs/dbraw/zinc/87/08/82/556870882.db2.gz OSHVNJQACXCAGY-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2ccncc2)cc1Cl ZINC000033130803 556871067 /nfs/dbraw/zinc/87/10/67/556871067.db2.gz SJLKQYPZMZRGNO-UHFFFAOYSA-N 0 0 440.862 5.684 50 0 IKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NCc3ccccc3C)cc2)nn1 ZINC000033130883 556871107 /nfs/dbraw/zinc/87/11/07/556871107.db2.gz BWHILJFFXQEEBE-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)Nc1c2cc(Cl)ccc2[nH]c1-c1ccncc1 ZINC000033130785 556871117 /nfs/dbraw/zinc/87/11/17/556871117.db2.gz XZQAGKMVFSEIMJ-UHFFFAOYSA-N 0 0 434.883 5.704 50 0 IKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NCCC3=CCCCC3)c2)nn1 ZINC000033131014 556871343 /nfs/dbraw/zinc/87/13/43/556871343.db2.gz SRVMNNPFKWVZIS-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)nn1 ZINC000033131035 556871368 /nfs/dbraw/zinc/87/13/68/556871368.db2.gz QDCWLQZPICBMAS-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3ccc(Oc4cccc(OC)c4)nn3)c2)cc1 ZINC000033131061 556871392 /nfs/dbraw/zinc/87/13/92/556871392.db2.gz AXDOFHHWTDSSLW-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033139143 556872965 /nfs/dbraw/zinc/87/29/65/556872965.db2.gz KAEWQTAXNHCEIM-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1Cl ZINC000033139186 556872998 /nfs/dbraw/zinc/87/29/98/556872998.db2.gz OCOXRLVPMRQCRF-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139131 556873004 /nfs/dbraw/zinc/87/30/04/556873004.db2.gz YVCDOXAKXYJPNX-UHFFFAOYSA-N 0 0 445.519 5.727 50 0 IKAARN COc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033139205 556873124 /nfs/dbraw/zinc/87/31/24/556873124.db2.gz FIXNDDUBNUQMJZ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)nc1 ZINC000033139271 556874083 /nfs/dbraw/zinc/87/40/83/556874083.db2.gz FDCRTZYWHMHDAB-UHFFFAOYSA-N 0 0 443.934 5.870 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1Cl ZINC000033139264 556874095 /nfs/dbraw/zinc/87/40/95/556874095.db2.gz GOXUZJIVVPXVKY-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1 ZINC000033139307 556874132 /nfs/dbraw/zinc/87/41/32/556874132.db2.gz HTMNLFAFGLXZNI-UHFFFAOYSA-N 0 0 425.488 5.895 50 0 IKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3)nc2)cc1 ZINC000033139324 556874498 /nfs/dbraw/zinc/87/44/98/556874498.db2.gz JSWKGADPZJDNCM-SANMLTNESA-N 0 0 435.527 6.052 50 0 IKAARN O=C(CCCC(=O)NC1CCCCCCCCCCC1)NCCc1ccc(Cl)cc1 ZINC000004680192 556874656 /nfs/dbraw/zinc/87/46/56/556874656.db2.gz ZPPGEBWUMJDCQK-UHFFFAOYSA-N 0 0 435.052 5.959 50 0 IKAARN C[C@@H](NC(=O)c1ccc(Oc2nccnc2Sc2ccccc2)cc1)c1ccccc1 ZINC000033139986 556875087 /nfs/dbraw/zinc/87/50/87/556875087.db2.gz QDOIWPNCQJTMES-GOSISDBHSA-N 0 0 427.529 5.911 50 0 IKAARN O=C(NCc1ccccc1F)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139999 556875412 /nfs/dbraw/zinc/87/54/12/556875412.db2.gz KRHWAYMBQNZIBO-UHFFFAOYSA-N 0 0 431.492 5.489 50 0 IKAARN O=C(NCc1cccc(F)c1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033140007 556875508 /nfs/dbraw/zinc/87/55/08/556875508.db2.gz CKLQOTSHVNNVNT-UHFFFAOYSA-N 0 0 431.492 5.489 50 0 IKAARN CN(Cc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)c2ccccc2n1 ZINC000033140365 556876086 /nfs/dbraw/zinc/87/60/86/556876086.db2.gz KNENSGLAMXTJPQ-UHFFFAOYSA-N 0 0 426.907 6.242 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nccn2Cc2ccccc2)cc1 ZINC000011230180 556876545 /nfs/dbraw/zinc/87/65/45/556876545.db2.gz PVELNTHAWXQGFR-UHFFFAOYSA-N 0 0 449.601 5.327 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccccc1Cl)CC2 ZINC000019732688 556877008 /nfs/dbraw/zinc/87/70/08/556877008.db2.gz SUCIBFHFRUYLOB-DEOSSOPVSA-N 0 0 428.359 6.158 50 0 IKAARN CSc1cccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)c1 ZINC000033142045 556877369 /nfs/dbraw/zinc/87/73/69/556877369.db2.gz LVFKTZUBGIGBSS-UHFFFAOYSA-N 0 0 434.565 5.154 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4cccc(F)c4)cc3)sc2c1 ZINC000033169229 556880487 /nfs/dbraw/zinc/88/04/87/556880487.db2.gz CTJUIYGTSYDFPX-UHFFFAOYSA-N 0 0 428.510 5.053 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(C)cc3F)CC2)cc1 ZINC000033168619 556880614 /nfs/dbraw/zinc/88/06/14/556880614.db2.gz DXIGKWCPEGXPKL-UHFFFAOYSA-N 0 0 436.556 5.239 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4cc(F)cc(F)c4)cc3)sc2c1 ZINC000033169226 556880636 /nfs/dbraw/zinc/88/06/36/556880636.db2.gz VYFPKICGHXUTQI-UHFFFAOYSA-N 0 0 446.500 5.192 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169033 556881250 /nfs/dbraw/zinc/88/12/50/556881250.db2.gz ORWZJCAPDIDZGC-UHFFFAOYSA-N 0 0 430.938 5.426 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)Cc1cc(F)cc(F)c1 ZINC000033169136 556881572 /nfs/dbraw/zinc/88/15/72/556881572.db2.gz RIGCDXFCNYRZRP-UHFFFAOYSA-N 0 0 430.501 5.492 50 0 IKAARN Cc1ccc(-c2csc(Cc3nc(-c4ccc(Br)cc4)no3)n2)cc1C ZINC000033171463 556882366 /nfs/dbraw/zinc/88/23/66/556882366.db2.gz NKDMIGAZQGUNQW-UHFFFAOYSA-N 0 0 426.339 5.830 50 0 IKAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 ZINC000033171481 556882408 /nfs/dbraw/zinc/88/24/08/556882408.db2.gz FBOXULVXCMCFET-UHFFFAOYSA-N 0 0 431.439 5.868 50 0 IKAARN Cc1cc(NC(=O)C2CCN(c3nccc4sccc43)CC2)ccc1Br ZINC000033172040 556882878 /nfs/dbraw/zinc/88/28/78/556882878.db2.gz IUZSIXCGNCWHFU-UHFFFAOYSA-N 0 0 430.371 5.222 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000033173609 556883532 /nfs/dbraw/zinc/88/35/32/556883532.db2.gz DQIIFGZHTMLPFW-UHFFFAOYSA-N 0 0 444.862 5.685 50 0 IKAARN COc1cccc(CNC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1 ZINC000033169369 556884464 /nfs/dbraw/zinc/88/44/64/556884464.db2.gz QTXIBLHSGDSIAM-UHFFFAOYSA-N 0 0 427.504 5.956 50 0 IKAARN COc1ccc(OC)c(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c1 ZINC000033169383 556884510 /nfs/dbraw/zinc/88/45/10/556884510.db2.gz KZNLFKBEGGRHLC-UHFFFAOYSA-N 0 0 443.503 6.287 50 0 IKAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1 ZINC000033170782 556886367 /nfs/dbraw/zinc/88/63/67/556886367.db2.gz ICGVEPLUZALSFV-UHFFFAOYSA-N 0 0 436.943 5.089 50 0 IKAARN C[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004691086 556886774 /nfs/dbraw/zinc/88/67/74/556886774.db2.gz JZXHBPJWASZGTH-LJQANCHMSA-N 0 0 426.557 5.300 50 0 IKAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(Cc2cccc3ccccc32)n1C ZINC000004700456 556887296 /nfs/dbraw/zinc/88/72/96/556887296.db2.gz DMLFXRPYFJZYOL-UHFFFAOYSA-N 0 0 429.633 6.766 50 0 IKAARN CCCCCCN(Cc1ccccc1)C(=O)[C@@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000071770276 556888006 /nfs/dbraw/zinc/88/80/06/556888006.db2.gz PIXIMVKECQKBIL-XMMPIXPASA-N 0 0 429.604 6.168 50 0 IKAARN Cc1c(Br)c(Br)c(Cl)c(Br)c1Br ZINC000071782739 556888335 /nfs/dbraw/zinc/88/83/35/556888335.db2.gz IJSSJZHRNYGGSA-UHFFFAOYSA-N 0 0 442.170 5.698 50 0 IKAARN COc1cc(Cl)c(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c(OC)c1 ZINC000033254392 556890264 /nfs/dbraw/zinc/89/02/64/556890264.db2.gz YVYFMZJJFFLPKH-UHFFFAOYSA-N 0 0 427.888 5.317 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)NCCCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000004712986 556890330 /nfs/dbraw/zinc/89/03/30/556890330.db2.gz CCSYKAOVSFNGDZ-JYFOCSDGSA-N 0 0 432.608 5.673 50 0 IKAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2nc(NCc3ccc(Cl)cc3)ccc2c1 ZINC000033250507 556891405 /nfs/dbraw/zinc/89/14/05/556891405.db2.gz OLBXTGIYGLDGRT-INIZCTEOSA-N 0 0 429.973 5.063 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](CC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251085 556891771 /nfs/dbraw/zinc/89/17/71/556891771.db2.gz NUQBEXUKWWHWGV-QGZVFWFLSA-N 0 0 447.457 5.021 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](CC)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000033251166 556891895 /nfs/dbraw/zinc/89/18/95/556891895.db2.gz MCKAGIJQGNNOMZ-GOSISDBHSA-N 0 0 447.457 5.021 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1Cl)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251159 556891942 /nfs/dbraw/zinc/89/19/42/556891942.db2.gz LNTJLNCHJKCWHD-MRXNPFEDSA-N 0 0 437.849 5.275 50 0 IKAARN CCOc1ccccc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000033252147 556892421 /nfs/dbraw/zinc/89/24/21/556892421.db2.gz NGSLMGTZNWRNOT-UHFFFAOYSA-N 0 0 428.536 5.042 50 0 IKAARN CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033252315 556892886 /nfs/dbraw/zinc/89/28/86/556892886.db2.gz ZINOLNQRXHUSMH-UHFFFAOYSA-N 0 0 436.968 5.175 50 0 IKAARN O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2)CC1 ZINC000033252397 556892924 /nfs/dbraw/zinc/89/29/24/556892924.db2.gz KEERFMYAILZDES-UHFFFAOYSA-N 0 0 444.922 5.019 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000033252410 556893011 /nfs/dbraw/zinc/89/30/11/556893011.db2.gz KIDSXORUJAIRIV-UHFFFAOYSA-N 0 0 432.867 5.268 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)nc2ccccc21 ZINC000033252610 556893137 /nfs/dbraw/zinc/89/31/37/556893137.db2.gz XGZPZUYCUYHNDE-UHFFFAOYSA-N 0 0 429.520 5.111 50 0 IKAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)c2c1C ZINC000033252507 556893187 /nfs/dbraw/zinc/89/31/87/556893187.db2.gz QQUNMTREOOXYPS-OAHLLOKOSA-N 0 0 432.446 5.022 50 0 IKAARN Cc1oc2nc(C)nc(N3CCC(C(=O)Nc4ccccc4C(F)(F)F)CC3)c2c1C ZINC000033252497 556893219 /nfs/dbraw/zinc/89/32/19/556893219.db2.gz IPXPJNHTWLPKAC-UHFFFAOYSA-N 0 0 432.446 5.022 50 0 IKAARN COc1cc(Cl)c(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)cc2)c(OC)c1 ZINC000033252588 556893248 /nfs/dbraw/zinc/89/32/48/556893248.db2.gz AIXJBRYMPRNUPJ-UHFFFAOYSA-N 0 0 426.879 5.591 50 0 IKAARN Cc1cccc(-c2noc(-c3cn(Cc4ccc(NC(=O)c5ccccc5)cc4)cn3)n2)c1 ZINC000033254856 556894638 /nfs/dbraw/zinc/89/46/38/556894638.db2.gz NJDHWXVSXVTYEL-UHFFFAOYSA-N 0 0 435.487 5.209 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(N5CCC(C)CC5)cc4)no3)CC2=O)cc1C ZINC000033255389 556895036 /nfs/dbraw/zinc/89/50/36/556895036.db2.gz OOMLWANVXQPELS-OAQYLSRUSA-N 0 0 430.552 5.110 50 0 IKAARN Cn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255930 556895238 /nfs/dbraw/zinc/89/52/38/556895238.db2.gz BEDNLNGYPHOSLA-UHFFFAOYSA-N 0 0 438.890 5.038 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)c(Br)c1 ZINC000033257418 556895593 /nfs/dbraw/zinc/89/55/93/556895593.db2.gz MRNUFZRQDSFBSJ-UHFFFAOYSA-N 0 0 427.302 5.719 50 0 IKAARN COc1cc(Cl)c(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)c(OC)c1 ZINC000033257430 556895756 /nfs/dbraw/zinc/89/57/56/556895756.db2.gz HNBROFYQMAUEHH-UHFFFAOYSA-N 0 0 428.876 5.319 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cn(-c2ccc(-c3noc(C4CCC4)n3)cc2)nc1C ZINC000033258606 556896366 /nfs/dbraw/zinc/89/63/66/556896366.db2.gz JODFORBACZJDLD-UHFFFAOYSA-N 0 0 443.507 5.068 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)Nc1cccc(C)c1C ZINC000033258632 556896404 /nfs/dbraw/zinc/89/64/04/556896404.db2.gz WEMZFYQSXIZCKS-UHFFFAOYSA-N 0 0 441.535 5.757 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)NCc1ccc(C)cc1 ZINC000033258638 556896439 /nfs/dbraw/zinc/89/64/39/556896439.db2.gz GNORZWVVLNEWKJ-UHFFFAOYSA-N 0 0 441.535 5.127 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000033260982 556897873 /nfs/dbraw/zinc/89/78/73/556897873.db2.gz PPLLXFFHXMYGMU-QGZVFWFLSA-N 0 0 442.494 5.526 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1OC ZINC000033260978 556897936 /nfs/dbraw/zinc/89/79/36/556897936.db2.gz PBYQBANUGAWORG-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260968 556897972 /nfs/dbraw/zinc/89/79/72/556897972.db2.gz SNLPTACIAFVNGC-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)nn2)c(C)c1C ZINC000072115874 556897978 /nfs/dbraw/zinc/89/79/78/556897978.db2.gz ZXHHWRPJLAJRNU-UHFFFAOYSA-N 0 0 449.465 5.253 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccccc4Cl)cc3)nn2)c(C)c1C ZINC000072117767 556898493 /nfs/dbraw/zinc/89/84/93/556898493.db2.gz HCOCJRJAYQHSHU-UHFFFAOYSA-N 0 0 447.930 5.629 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc(OC)c1 ZINC000033261120 556898587 /nfs/dbraw/zinc/89/85/87/556898587.db2.gz DMNRUFCTXXHRTI-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1OC ZINC000033261161 556898773 /nfs/dbraw/zinc/89/87/73/556898773.db2.gz DDZAYKZPRXSKTM-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN O=S(=O)(c1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000033261433 556900495 /nfs/dbraw/zinc/90/04/95/556900495.db2.gz RBWZASUERAQSOL-HSZRJFAPSA-N 0 0 440.927 5.297 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSCc2ccc(-c3nc(-c4cccc(C)c4)no3)o2)cc1 ZINC000033262414 556900623 /nfs/dbraw/zinc/90/06/23/556900623.db2.gz XZBLBNRCHRZOCS-UHFFFAOYSA-N 0 0 447.516 5.380 50 0 IKAARN COc1ccc(-c2ccc(SCc3nc(-c4ccccc4Cl)no3)nn2)cc1OC ZINC000033262517 556900633 /nfs/dbraw/zinc/90/06/33/556900633.db2.gz YLSJACTXENAXRP-UHFFFAOYSA-N 0 0 440.912 5.157 50 0 IKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)cc1OC ZINC000033262513 556900685 /nfs/dbraw/zinc/90/06/85/556900685.db2.gz LXRNEWFXWDOEAH-UHFFFAOYSA-N 0 0 438.484 5.032 50 0 IKAARN Brc1cccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c1 ZINC000033262434 556900718 /nfs/dbraw/zinc/90/07/18/556900718.db2.gz YGINACVNVYNRNN-UHFFFAOYSA-N 0 0 425.311 5.248 50 0 IKAARN Fc1ccccc1-c1ccc(SCc2nc(-c3ccc(Br)cc3)no2)nn1 ZINC000033262537 556900861 /nfs/dbraw/zinc/90/08/61/556900861.db2.gz MKAKEWPZCURAAH-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN CC(C)c1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 ZINC000033262531 556900912 /nfs/dbraw/zinc/90/09/12/556900912.db2.gz BKBJYBRJMJMBFE-UHFFFAOYSA-N 0 0 432.505 5.338 50 0 IKAARN COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)c1 ZINC000033262530 556900932 /nfs/dbraw/zinc/90/09/32/556900932.db2.gz FGVRYDYPAGSIBG-UHFFFAOYSA-N 0 0 434.521 5.120 50 0 IKAARN CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1 ZINC000072232826 556901541 /nfs/dbraw/zinc/90/15/41/556901541.db2.gz IVUGBSGLHRJSSP-UHFFFAOYSA-N 0 0 431.295 5.835 50 0 in-vitro IKAARN COc1ccc2oc(-c3cccc(NC(=O)COc4cc(C)ccc4C(C)C)c3C)nc2c1 ZINC000072260292 556902117 /nfs/dbraw/zinc/90/21/17/556902117.db2.gz YALNAWCKHRBTGF-UHFFFAOYSA-N 0 0 444.531 6.261 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000072328599 556905494 /nfs/dbraw/zinc/90/54/94/556905494.db2.gz TXSLGBLHNOMVQN-UHFFFAOYSA-N 0 0 435.524 5.430 50 0 IKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](NCc1ccccc1)c1ccccc1 ZINC000019782234 556913770 /nfs/dbraw/zinc/91/37/70/556913770.db2.gz PIMLGEPMMPLVQH-SANMLTNESA-N 0 0 429.456 6.826 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2Br)CC1 ZINC000019789381 556914586 /nfs/dbraw/zinc/91/45/86/556914586.db2.gz QWBDDMWPWSNMTF-UHFFFAOYSA-N 0 0 435.365 5.074 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1Cl)N1NC=NC1=N2 ZINC000019799276 556916919 /nfs/dbraw/zinc/91/69/19/556916919.db2.gz ZQUHRYQPJMGUNJ-PKTZIBPZSA-N 0 0 447.325 5.798 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000019810128 556918915 /nfs/dbraw/zinc/91/89/15/556918915.db2.gz DFRFRMAJTULFEH-UHFFFAOYSA-N 0 0 449.963 5.961 50 0 IKAARN Clc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccc2)cc1 ZINC000019810032 556918936 /nfs/dbraw/zinc/91/89/36/556918936.db2.gz QIAXJFALTJTRJH-UHFFFAOYSA-N 0 0 446.790 7.187 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000019810116 556918965 /nfs/dbraw/zinc/91/89/65/556918965.db2.gz XRKRDOLCZLNUST-UHFFFAOYSA-N 0 0 433.508 5.447 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc(F)cc1 ZINC000019810425 556918969 /nfs/dbraw/zinc/91/89/69/556918969.db2.gz HOIWLANGEXQDFY-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000019810807 556919089 /nfs/dbraw/zinc/91/90/89/556919089.db2.gz UQQFXBAWSHHABO-UHFFFAOYSA-N 0 0 431.561 5.942 50 0 IKAARN Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000019811657 556919109 /nfs/dbraw/zinc/91/91/09/556919109.db2.gz ZFKMANLAXPOSSG-UHFFFAOYSA-N 0 0 429.545 5.438 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccc(Cl)c2)cc1 ZINC000019811366 556919135 /nfs/dbraw/zinc/91/91/35/556919135.db2.gz DUSMOSKMTWHMKX-UHFFFAOYSA-N 0 0 431.945 5.030 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000019814209 556919371 /nfs/dbraw/zinc/91/93/71/556919371.db2.gz FSRJKHJEJFOWHY-UHFFFAOYSA-N 0 0 445.931 6.448 50 0 IKAARN Cc1ccc(Cn2c(CCNC(=O)Nc3cc(Cl)ccc3C)nc3cccnc32)cc1 ZINC000033263729 556919561 /nfs/dbraw/zinc/91/95/61/556919561.db2.gz DYMXXSKYEZSGGX-UHFFFAOYSA-N 0 0 433.943 5.114 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000019823035 556924661 /nfs/dbraw/zinc/92/46/61/556924661.db2.gz JYORNOQNCKYSLE-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 ZINC000019823012 556924671 /nfs/dbraw/zinc/92/46/71/556924671.db2.gz POPAHYHSAQNFQL-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000019823426 556924932 /nfs/dbraw/zinc/92/49/32/556924932.db2.gz DLJHKOVTSHEXGA-SFHVURJKSA-N 0 0 443.576 5.574 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1 ZINC000019824000 556925308 /nfs/dbraw/zinc/92/53/08/556925308.db2.gz JVAUDVUDGYPRPC-UHFFFAOYSA-N 0 0 432.549 5.437 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 ZINC000019824175 556925406 /nfs/dbraw/zinc/92/54/06/556925406.db2.gz QSPOBYPTSKAECD-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccco2)cc1 ZINC000019824532 556925634 /nfs/dbraw/zinc/92/56/34/556925634.db2.gz FWNQYENJVSBVTC-UHFFFAOYSA-N 0 0 448.548 5.274 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccco2)cc1 ZINC000019824429 556925647 /nfs/dbraw/zinc/92/56/47/556925647.db2.gz DSNQSTTYZBPUAP-UHFFFAOYSA-N 0 0 448.548 5.390 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2cccs2)cc1 ZINC000019824791 556925662 /nfs/dbraw/zinc/92/56/62/556925662.db2.gz JCDAACLODDDHHM-UHFFFAOYSA-N 0 0 441.581 6.432 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(C)cc1 ZINC000019824745 556925675 /nfs/dbraw/zinc/92/56/75/556925675.db2.gz AUVUAXVTFYUXJR-UHFFFAOYSA-N 0 0 434.590 5.597 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2cccs2)cc1 ZINC000019824673 556925735 /nfs/dbraw/zinc/92/57/35/556925735.db2.gz MBNCQCCBDGLQRF-UHFFFAOYSA-N 0 0 442.516 5.313 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2ccco2)cc1 ZINC000019824546 556925738 /nfs/dbraw/zinc/92/57/38/556925738.db2.gz JJUUVQVNWUZDJY-UHFFFAOYSA-N 0 0 439.924 5.554 50 0 IKAARN Cc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Cl)cc5Cl)nn43)[nH]n2)cc1 ZINC000019827241 556925944 /nfs/dbraw/zinc/92/59/44/556925944.db2.gz PWKBYLUYZHNHOW-UHFFFAOYSA-N 0 0 427.320 5.525 50 0 IKAARN CCNC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccc(C)cc1 ZINC000019833808 556927376 /nfs/dbraw/zinc/92/73/76/556927376.db2.gz TXEQJZWXSPQTDO-DEDYPNTBSA-N 0 0 443.330 5.469 50 0 IKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019832311 556927408 /nfs/dbraw/zinc/92/74/08/556927408.db2.gz VHQXEEFTKPQEFF-UWURSXPMSA-N 0 0 428.601 5.378 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019840600 556929476 /nfs/dbraw/zinc/92/94/76/556929476.db2.gz BGENOXQYKVQKTQ-UHFFFAOYSA-N 0 0 429.608 5.072 50 0 IKAARN Cc1cccc(C(=O)NC(NCC23CC4CC(CC(C4)C2)C3)(C(F)(F)F)C(F)(F)F)c1 ZINC000019848301 556930104 /nfs/dbraw/zinc/93/01/04/556930104.db2.gz MQCRYVUWGIJILV-UHFFFAOYSA-N 0 0 448.451 5.352 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12 ZINC000019855685 556931417 /nfs/dbraw/zinc/93/14/17/556931417.db2.gz NVAGGRBLSDEQHV-UHFFFAOYSA-N 0 0 437.587 5.264 50 0 IKAARN O=C(N(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019862696 556933918 /nfs/dbraw/zinc/93/39/18/556933918.db2.gz GQNVDUOOGWDWKO-UHFFFAOYSA-N 0 0 447.582 6.352 50 0 IKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000019879297 556936418 /nfs/dbraw/zinc/93/64/18/556936418.db2.gz LCPAFNONMKQDRC-UTKZUKDTSA-N 0 0 431.330 5.136 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc(-c3ccc(C)cc3C)cc12 ZINC000019879312 556936460 /nfs/dbraw/zinc/93/64/60/556936460.db2.gz CONZHNHBXCNBOW-UHFFFAOYSA-N 0 0 432.907 5.679 50 0 IKAARN O=C(NCc1ccco1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000019879938 556936801 /nfs/dbraw/zinc/93/68/01/556936801.db2.gz XZFAITWNTJDVGU-BWAHOGKJSA-N 0 0 438.483 5.159 50 0 IKAARN CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000019881444 556937381 /nfs/dbraw/zinc/93/73/81/556937381.db2.gz ZPHSCMHBYJWILW-NSHDSACASA-N 0 0 427.136 5.180 50 0 IKAARN c1ccc(CN2CN(c3nc4ccccc4s3)CN(c3nc4ccccc4s3)C2)cc1 ZINC000019890975 556939564 /nfs/dbraw/zinc/93/95/64/556939564.db2.gz XJSGEYQTTSIQBK-UHFFFAOYSA-N 0 0 443.601 5.607 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c(Cl)c1 ZINC000019892145 556939766 /nfs/dbraw/zinc/93/97/66/556939766.db2.gz PNEVKSZDOBTZKD-GOTSBHOMSA-N 0 0 447.325 5.798 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000019893293 556939782 /nfs/dbraw/zinc/93/97/82/556939782.db2.gz GZYJBBTUDLJBBG-XUZZJYLKSA-N 0 0 437.326 6.054 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccccc1Br ZINC000019892867 556939799 /nfs/dbraw/zinc/93/97/99/556939799.db2.gz RQBDQTDLOYLEJI-UHFFFAOYSA-N 0 0 429.361 7.209 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c(Cl)c1 ZINC000019892143 556939844 /nfs/dbraw/zinc/93/98/44/556939844.db2.gz PNEVKSZDOBTZKD-DHIUTWEWSA-N 0 0 447.325 5.798 50 0 IKAARN O=C(N[C@@H](Nc1nc2ccc(Cl)cc2s1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000019893061 556939902 /nfs/dbraw/zinc/93/99/02/556939902.db2.gz LKWSJGYVRZPQPN-AWEZNQCLSA-N 0 0 435.163 5.488 50 0 IKAARN Clc1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000019893584 556939960 /nfs/dbraw/zinc/93/99/60/556939960.db2.gz CEPQOTUQUFOCSG-PXNSSMCTSA-N 0 0 435.763 6.951 50 0 IKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000019893737 556939992 /nfs/dbraw/zinc/93/99/92/556939992.db2.gz JVBXJTQXWYXJBP-AUSIDOKSSA-N 0 0 449.304 5.420 50 0 IKAARN O=C(c1ccccc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019893567 556939997 /nfs/dbraw/zinc/93/99/97/556939997.db2.gz DFWBJUZUJMINIE-NFBKMPQASA-N 0 0 433.305 5.202 50 0 IKAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2cccs2)N(C)C)cc1 ZINC000019897860 556940965 /nfs/dbraw/zinc/94/09/65/556940965.db2.gz ZGGXVPBFIYZNBO-XXBNENTESA-N 0 0 444.556 5.011 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019908586 556942714 /nfs/dbraw/zinc/94/27/14/556942714.db2.gz ZLAHWROHXQEFNB-WNJJXGMVSA-N 0 0 430.507 6.106 50 0 IKAARN Cc1ccccc1N1CCN(CN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)CC1 ZINC000019911650 556943284 /nfs/dbraw/zinc/94/32/84/556943284.db2.gz YLPAHICPGZEJJC-HAVVHWLPSA-N 0 0 449.620 5.109 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000019912483 556943382 /nfs/dbraw/zinc/94/33/82/556943382.db2.gz NQPPCBDIQANLQL-GBXCKJPGSA-N 0 0 438.886 5.739 50 0 IKAARN Cc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000019924426 556944346 /nfs/dbraw/zinc/94/43/46/556944346.db2.gz HTVZYYOMXWWQJE-UHFFFAOYSA-N 0 0 437.543 5.507 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019924587 556944593 /nfs/dbraw/zinc/94/45/93/556944593.db2.gz QXXFLKRMBGUMJP-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN COc1cc([C@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC ZINC000019926957 556945075 /nfs/dbraw/zinc/94/50/75/556945075.db2.gz TZMAXQNAFUBUFQ-XMMPIXPASA-N 0 0 437.517 5.283 50 0 IKAARN O=C(Oc1ccccc1-c1nc2scc(-c3ccccc3)n2n1)c1ccc(Cl)cc1 ZINC000019927919 556945758 /nfs/dbraw/zinc/94/57/58/556945758.db2.gz RSRWTEMRTAPLLO-UHFFFAOYSA-N 0 0 431.904 5.997 50 0 IKAARN COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1NC(=O)c1ccco1 ZINC000019945483 556954504 /nfs/dbraw/zinc/95/45/04/556954504.db2.gz PDDZIEDEUSTVJP-UHFFFAOYSA-N 0 0 438.911 5.644 50 0 IKAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1oc2ccc(Br)cc2c1C ZINC000020013717 556961134 /nfs/dbraw/zinc/96/11/34/556961134.db2.gz WZEZVMTZMHXBFJ-UHFFFAOYSA-N 0 0 432.314 5.183 50 0 IKAARN O=S(=O)(c1ccc(F)cc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21 ZINC000020030727 556968859 /nfs/dbraw/zinc/96/88/59/556968859.db2.gz AEXPJFWWBXQEDR-UHFFFAOYSA-N 0 0 427.844 5.055 50 0 IKAARN C[C@@H]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)c2cc(C(F)(F)F)ccc2S1 ZINC000071972961 556969129 /nfs/dbraw/zinc/96/91/29/556969129.db2.gz WINMCWSZZGIIIZ-CYBMUJFWSA-N 0 0 449.523 5.684 50 0 IKAARN CCOc1ccc(NC(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1 ZINC000033263815 556972085 /nfs/dbraw/zinc/97/20/85/556972085.db2.gz AZHYJRKRPWOGHO-UHFFFAOYSA-N 0 0 429.524 5.017 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccc(C)cc4C)cc3)nn2)c(C)c1C ZINC000072441714 556973038 /nfs/dbraw/zinc/97/30/38/556973038.db2.gz WMENSOHJTABRAF-UHFFFAOYSA-N 0 0 426.524 5.200 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c(C)c1 ZINC000072446860 556973327 /nfs/dbraw/zinc/97/33/27/556973327.db2.gz HCTQUUSEXLUQEM-UHFFFAOYSA-N 0 0 432.528 5.090 50 0 IKAARN O=C(c1cn(CCOc2ccc(F)cc2)c2ccc(Br)cc12)C(F)(F)F ZINC000020059003 556975514 /nfs/dbraw/zinc/97/55/14/556975514.db2.gz KRXZZNKXNVLOLZ-UHFFFAOYSA-N 0 0 430.195 5.367 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020058983 556975523 /nfs/dbraw/zinc/97/55/23/556975523.db2.gz MFEDTFBAOZQMPM-MZNJEOGPSA-N 0 0 441.487 5.221 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)cc1 ZINC000033265468 556975703 /nfs/dbraw/zinc/97/57/03/556975703.db2.gz FCLOXDBVEHFJRG-XMMPIXPASA-N 0 0 449.620 5.839 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000033265557 556976170 /nfs/dbraw/zinc/97/61/70/556976170.db2.gz MOOBNTWFUXBTEF-HNNXBMFYSA-N 0 0 437.565 5.544 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033265564 556976175 /nfs/dbraw/zinc/97/61/75/556976175.db2.gz WIJQNAQABWOCSD-OAHLLOKOSA-N 0 0 425.985 6.488 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(CC(C)C)cc4)cc3)sc2c1 ZINC000013948061 556976293 /nfs/dbraw/zinc/97/62/93/556976293.db2.gz JQBVHGJIYNCGAL-UHFFFAOYSA-N 0 0 436.602 6.271 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1 ZINC000033265572 556976352 /nfs/dbraw/zinc/97/63/52/556976352.db2.gz BCTAJRNTKVEKFZ-MRXNPFEDSA-N 0 0 449.576 5.703 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000033265568 556976357 /nfs/dbraw/zinc/97/63/57/556976357.db2.gz UNKIKDGLNZABMQ-MRXNPFEDSA-N 0 0 449.576 5.703 50 0 IKAARN CCC(C)(C)C(=O)[C@@H]1[C@](C)(c2ccccc2)CC(c2ccccc2)=C[C@]1(O)C(C)(C)CC ZINC000004729220 556976618 /nfs/dbraw/zinc/97/66/18/556976618.db2.gz JYXYBEIHSGHFQN-TZFWCWEWSA-N 0 0 432.648 7.220 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020065936 556978122 /nfs/dbraw/zinc/97/81/22/556978122.db2.gz ZCDIHHJXGNEULZ-UHFFFAOYSA-N 0 0 442.603 5.297 50 0 IKAARN O=C(NC([N-]c1cccc[nH+]1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000020064914 556978128 /nfs/dbraw/zinc/97/81/28/556978128.db2.gz GXUIFFSAEPZMSJ-UHFFFAOYSA-N 0 0 432.151 5.051 50 0 IKAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NC(C)C)[C@H](c1ccccc1)c1cccn1-2 ZINC000033266939 556978981 /nfs/dbraw/zinc/97/89/81/556978981.db2.gz OAWAAIUXJOCADC-RUZDIDTESA-N 0 0 439.563 5.248 50 0 IKAARN CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000020085938 556978963 /nfs/dbraw/zinc/97/89/63/556978963.db2.gz BYYWEIYBQNVJNG-FZYUUDAHSA-N 0 0 436.502 6.028 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020095359 556979228 /nfs/dbraw/zinc/97/92/28/556979228.db2.gz MPWUHLVHRMYHFD-HXUWFJFHSA-N 0 0 429.442 5.136 50 0 IKAARN O[C@@H]1CCCN(C(=S)Sc2c3ccccc3[nH]c2-c2ccc(Br)cc2)C1 ZINC000020095025 556979253 /nfs/dbraw/zinc/97/92/53/556979253.db2.gz WZJLQKFLRSLSNT-OAHLLOKOSA-N 0 0 447.423 5.431 50 0 IKAARN COc1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1NC(=O)c1cccs1 ZINC000020096503 556979774 /nfs/dbraw/zinc/97/97/74/556979774.db2.gz LJMQEXWSRWXSJS-UHFFFAOYSA-N 0 0 434.561 5.768 50 0 IKAARN CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 ZINC000020101567 556980239 /nfs/dbraw/zinc/98/02/39/556980239.db2.gz BESNBPVCNKDZIB-QGZVFWFLSA-N 0 0 447.535 5.030 50 0 IKAARN COc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000033267770 556982130 /nfs/dbraw/zinc/98/21/30/556982130.db2.gz JSXVEMSBZCJJNO-OAQYLSRUSA-N 0 0 445.519 5.147 50 0 IKAARN COc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000033267769 556982145 /nfs/dbraw/zinc/98/21/45/556982145.db2.gz JSXVEMSBZCJJNO-NRFANRHFSA-N 0 0 445.519 5.147 50 0 IKAARN CCCn1c(SCC(=O)OC(C)(C)C)nc2cc(-c3ccc(C)cc3)sc2c1=O ZINC000033267973 556982369 /nfs/dbraw/zinc/98/23/69/556982369.db2.gz LAQBJLGPRPHHFE-UHFFFAOYSA-N 0 0 430.595 5.277 50 0 IKAARN Cn1cc([C@@H](CNC(=O)Nc2cccc(Br)c2)c2cccnc2)c2ccccc21 ZINC000033267865 556982388 /nfs/dbraw/zinc/98/23/88/556982388.db2.gz GGEKKFHQUNVHEK-FQEVSTJZSA-N 0 0 449.352 5.289 50 0 IKAARN CCOC(=O)c1ccccc1N[C@@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000033268283 556983824 /nfs/dbraw/zinc/98/38/24/556983824.db2.gz SXRTVBULVYLGQE-OAQYLSRUSA-N 0 0 433.895 5.768 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000033268627 556985336 /nfs/dbraw/zinc/98/53/36/556985336.db2.gz VLCWODFCEUVFFV-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000020137413 556988375 /nfs/dbraw/zinc/98/83/75/556988375.db2.gz IGOACQRYLDHFPB-UHFFFAOYSA-N 0 0 441.318 5.762 50 0 IKAARN Cc1ccc2nc(NC(=O)CCCc3nc4cccnc4n3Cc3ccccc3)sc2c1 ZINC000033269134 556988426 /nfs/dbraw/zinc/98/84/26/556988426.db2.gz NIIGSJWMTBMTQQ-UHFFFAOYSA-N 0 0 441.560 5.359 50 0 IKAARN Cc1nc(CSc2ccc(-c3nc(-c4ccc(Br)cn4)no3)cc2)cs1 ZINC000097141552 556992825 /nfs/dbraw/zinc/99/28/25/556992825.db2.gz RKNYFIOPYUIVJM-UHFFFAOYSA-N 0 0 445.367 5.618 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000010672814 556993438 /nfs/dbraw/zinc/99/34/38/556993438.db2.gz NUDGJBVEJBSUSX-UHFFFAOYSA-N 0 0 442.928 5.104 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010674448 556994282 /nfs/dbraw/zinc/99/42/82/556994282.db2.gz TXYPYNGRNAXCKE-UHFFFAOYSA-N 0 0 445.588 5.935 50 0 IKAARN COc1cccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)c3ccccc3F)c(Cl)nc21 ZINC000097165863 556994744 /nfs/dbraw/zinc/99/47/44/556994744.db2.gz FKPJBFHDESJJLJ-IBGZPJMESA-N 0 0 449.869 5.620 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000020176850 556995371 /nfs/dbraw/zinc/99/53/71/556995371.db2.gz DUWGVUPRDRHPMX-UHFFFAOYSA-N 0 0 446.532 6.072 50 0 IKAARN CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc(C)c1-c1ccc(OCC)cc1 ZINC000020176959 556995405 /nfs/dbraw/zinc/99/54/05/556995405.db2.gz RRZSDURKZHBKEY-UHFFFAOYSA-N 0 0 438.549 6.251 50 0 IKAARN CCOc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020176840 556995421 /nfs/dbraw/zinc/99/54/21/556995421.db2.gz QSAWWVRCHDOPCF-NRFANRHFSA-N 0 0 448.910 5.700 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC([C@H](O)c2cccs2)CC1 ZINC000020208177 556998220 /nfs/dbraw/zinc/99/82/20/556998220.db2.gz GVBCOOOEUMHINK-FQEVSTJZSA-N 0 0 436.499 5.676 50 0 IKAARN CCc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020213689 556999323 /nfs/dbraw/zinc/99/93/23/556999323.db2.gz UGZQWTZRXPDNHH-OAQYLSRUSA-N 0 0 432.911 5.864 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000020228108 557001053 /nfs/dbraw/zinc/00/10/53/557001053.db2.gz LREYUKDGJIVSDQ-UHFFFAOYSA-N 0 0 447.516 5.298 50 0 IKAARN COc1cc([C@@H]2O[C@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 ZINC000020228689 557001271 /nfs/dbraw/zinc/00/12/71/557001271.db2.gz OEDFWOKQVJHDQD-CRDCFYADSA-N 0 0 444.527 6.149 50 0 IKAARN COc1ccc(NC(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)c(OC)c1 ZINC000020247509 557003074 /nfs/dbraw/zinc/00/30/74/557003074.db2.gz HEMXDYDZTMOZDS-UHFFFAOYSA-N 0 0 439.274 5.039 50 0 IKAARN CCCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=N ZINC000020291645 557005970 /nfs/dbraw/zinc/00/59/70/557005970.db2.gz ULDNMMRJUXFKPW-KRWDZBQOSA-N 0 0 436.383 5.249 50 0 IKAARN COc1cc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc(OC)c1OC ZINC000023125392 557007219 /nfs/dbraw/zinc/00/72/19/557007219.db2.gz XJOLTBIYJRNPLX-UHFFFAOYSA-N 0 0 448.544 5.792 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000023126197 557007915 /nfs/dbraw/zinc/00/79/15/557007915.db2.gz IMTLDDOHOYHMEO-UHFFFAOYSA-N 0 0 449.532 5.100 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(OC)c(OC)c2)cc3C(F)(F)F)cc1 ZINC000020343620 557008547 /nfs/dbraw/zinc/00/85/47/557008547.db2.gz AUVWWHZYDIHXOS-UHFFFAOYSA-N 0 0 443.425 5.441 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000096936398 557009475 /nfs/dbraw/zinc/00/94/75/557009475.db2.gz XQDRAIVEALRZJW-YPKPFQOOSA-N 0 0 433.895 5.554 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)Nc2nc3c(cccc3C)s2)c1C ZINC000020356106 557010229 /nfs/dbraw/zinc/01/02/29/557010229.db2.gz ZKLWYQZSXHDHTB-UHFFFAOYSA-N 0 0 447.560 5.505 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1cc(Cl)ccc1OC ZINC000020356859 557010788 /nfs/dbraw/zinc/01/07/88/557010788.db2.gz NVNBGUOHSSZNCD-UHFFFAOYSA-N 0 0 426.925 5.380 50 0 IKAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NC1CCCCC1 ZINC000020358412 557011584 /nfs/dbraw/zinc/01/15/84/557011584.db2.gz ZLXZLHZZNCWOAZ-UHFFFAOYSA-N 0 0 437.613 5.436 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c(C)c1 ZINC000023127023 557011650 /nfs/dbraw/zinc/01/16/50/557011650.db2.gz FKLKMBSIYJQTLR-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN Cc1ccc(CNC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020367303 557011916 /nfs/dbraw/zinc/01/19/16/557011916.db2.gz VRFJOLCHYSXKPZ-NRFANRHFSA-N 0 0 432.911 5.287 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3cccc(Cl)c3)cc(C(F)(F)F)c12 ZINC000045995440 557015106 /nfs/dbraw/zinc/01/51/06/557015106.db2.gz DWRMLFTZNUJULZ-UHFFFAOYSA-N 0 0 431.845 6.289 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCc3ccc(Br)cc3F)cc(C)c12 ZINC000045995329 557015152 /nfs/dbraw/zinc/01/51/52/557015152.db2.gz WPYXUUXVZSJXHP-UHFFFAOYSA-N 0 0 426.289 5.518 50 0 IKAARN CCOc1ccc2oc(=O)cc(COc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)c2c1 ZINC000045995295 557015168 /nfs/dbraw/zinc/01/51/68/557015168.db2.gz VOVGWRYJFVRPIG-UHFFFAOYSA-N 0 0 441.487 5.121 50 0 IKAARN Cc1nn(C)c2nc(OCc3nc(-c4ccccc4Cl)oc3C)cc(-c3ccccc3)c12 ZINC000045995203 557015192 /nfs/dbraw/zinc/01/51/92/557015192.db2.gz ZIYWSJDSAVQVTI-UHFFFAOYSA-N 0 0 444.922 6.140 50 0 IKAARN Cc1nn(C)c2nc(OCc3nc(-c4cc(C)ccc4C)oc3C)cc(-c3ccccc3)c12 ZINC000045995187 557015209 /nfs/dbraw/zinc/01/52/09/557015209.db2.gz UMSLNGAQISZDGH-UHFFFAOYSA-N 0 0 438.531 6.103 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3nc(-c4ccccc4C)oc3C)cc(C)c12 ZINC000045995082 557015253 /nfs/dbraw/zinc/01/52/53/557015253.db2.gz QKQLLEGMWWYZNW-UHFFFAOYSA-N 0 0 442.494 6.027 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCc2nc(-c4cccs4)oc2C)cc3C)cc1 ZINC000045995598 557015442 /nfs/dbraw/zinc/01/54/42/557015442.db2.gz NATJEZXVLIWFIL-UHFFFAOYSA-N 0 0 444.560 6.204 50 0 IKAARN Cn1nccc1C(=O)Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1Cl)CCCC2 ZINC000020427504 557015764 /nfs/dbraw/zinc/01/57/64/557015764.db2.gz TYEJMJJUYWOQSO-UHFFFAOYSA-N 0 0 449.363 5.172 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)Nc3cccc(C)c3C)cc(C)c12 ZINC000045990512 557016163 /nfs/dbraw/zinc/01/61/63/557016163.db2.gz HYFAXRNCFZSNPL-UHFFFAOYSA-N 0 0 448.954 5.634 50 0 IKAARN C[C@@H]1Nc2nc3ccccc3n2C(c2cccc3ccccc32)=C1C(=O)Nc1ccccc1 ZINC000020428814 557016289 /nfs/dbraw/zinc/01/62/89/557016289.db2.gz DFABJIGWHQIWRJ-SFHVURJKSA-N 0 0 430.511 5.902 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2cccc(Cl)c2)cc3C)cc1 ZINC000045990629 557016399 /nfs/dbraw/zinc/01/63/99/557016399.db2.gz ZUXMHYHFYQXXRM-UHFFFAOYSA-N 0 0 434.927 5.271 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3ccc(C)cc3Cl)cc(C)c12 ZINC000045990852 557016727 /nfs/dbraw/zinc/01/67/27/557016727.db2.gz CXLISJSSGAOIRQ-UHFFFAOYSA-N 0 0 434.927 5.325 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)cc(C)c12 ZINC000045991814 557017328 /nfs/dbraw/zinc/01/73/28/557017328.db2.gz BHLFXGCKWLIRNQ-LJQANCHMSA-N 0 0 428.536 5.567 50 0 IKAARN O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010689570 557017551 /nfs/dbraw/zinc/01/75/51/557017551.db2.gz CDUGTELWNHGOKY-HSZRJFAPSA-N 0 0 437.568 5.782 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1cc2ccccc2o1 ZINC000010681916 557017603 /nfs/dbraw/zinc/01/76/03/557017603.db2.gz PGCDYVQOKPZWFB-UHFFFAOYSA-N 0 0 432.549 5.321 50 0 IKAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)cc(-c3ccccc3)c12 ZINC000045992073 557017628 /nfs/dbraw/zinc/01/76/28/557017628.db2.gz VSWMMUBJKQTVIY-IBGZPJMESA-N 0 0 428.536 5.275 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1c(C)cccc1C)cc2-c1ccccc1 ZINC000045992263 557017848 /nfs/dbraw/zinc/01/78/48/557017848.db2.gz SUJXCLDTWHOCCS-IBGZPJMESA-N 0 0 428.536 5.449 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1ccc(Cl)cc1)cc2-c1ccccc1 ZINC000045992226 557017905 /nfs/dbraw/zinc/01/79/05/557017905.db2.gz NMHWTFJRTIVHSY-INIZCTEOSA-N 0 0 434.927 5.486 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1)cc2-c1ccccc1 ZINC000045992211 557017983 /nfs/dbraw/zinc/01/79/83/557017983.db2.gz DLTMGXFECSONDM-SFHVURJKSA-N 0 0 442.519 5.035 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000046012245 557018841 /nfs/dbraw/zinc/01/88/41/557018841.db2.gz AYQDSIGCNCIULK-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN CC(C)c1noc(-c2ccccc2OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000046012514 557018858 /nfs/dbraw/zinc/01/88/58/557018858.db2.gz MPKVSSJDEPMBSY-UHFFFAOYSA-N 0 0 439.821 5.550 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cccc(Cl)c2)cc1 ZINC000046012626 557019144 /nfs/dbraw/zinc/01/91/44/557019144.db2.gz PPYUGLLDMOSUQJ-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc(C)c12 ZINC000046016938 557019725 /nfs/dbraw/zinc/01/97/25/557019725.db2.gz WLVFDQUEYYPFLR-UHFFFAOYSA-N 0 0 440.425 5.074 50 0 IKAARN CCc1cc(OCC(=O)Nc2cccc(C)c2C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017127 557020421 /nfs/dbraw/zinc/02/04/21/557020421.db2.gz MAZADFZPUWENFP-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN CC[C@H](C(=O)N(Cc1nc2nc(C)c(Cl)c(C)n2n1)c1ccccc1)c1ccccc1 ZINC000046020716 557020968 /nfs/dbraw/zinc/02/09/68/557020968.db2.gz GLJJVYQAKOBKSL-FQEVSTJZSA-N 0 0 433.943 5.122 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1Cl ZINC000046022293 557021966 /nfs/dbraw/zinc/02/19/66/557021966.db2.gz TYRASDLKWCLWAQ-UHFFFAOYSA-N 0 0 446.041 6.334 50 0 IKAARN CCOc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 ZINC000046022246 557021987 /nfs/dbraw/zinc/02/19/87/557021987.db2.gz DRNTXAIIBSAXRR-UHFFFAOYSA-N 0 0 427.595 5.380 50 0 IKAARN CCOc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1 ZINC000046022248 557022025 /nfs/dbraw/zinc/02/20/25/557022025.db2.gz FTKCNAYEXUOXGK-UHFFFAOYSA-N 0 0 441.622 5.770 50 0 IKAARN CSc1cccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 ZINC000046022451 557022191 /nfs/dbraw/zinc/02/21/91/557022191.db2.gz VPCBMPREKIQNQG-UHFFFAOYSA-N 0 0 429.636 5.704 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 ZINC000046022479 557022197 /nfs/dbraw/zinc/02/21/97/557022197.db2.gz IUDLZDYSRZIEBH-UHFFFAOYSA-N 0 0 446.041 6.334 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1ccc(F)c(F)c1 ZINC000046022497 557022206 /nfs/dbraw/zinc/02/22/06/557022206.db2.gz ZQROKUGATYGMGV-UHFFFAOYSA-N 0 0 433.549 5.650 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1ccc(Cl)cc1 ZINC000046022447 557022267 /nfs/dbraw/zinc/02/22/67/557022267.db2.gz OVJOIHOYZOHYIT-UHFFFAOYSA-N 0 0 432.014 6.025 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022477 557022311 /nfs/dbraw/zinc/02/23/11/557022311.db2.gz PSFDEGITZWDJRQ-UHFFFAOYSA-N 0 0 432.014 5.943 50 0 IKAARN Cc1cc(Nc2c3c(nc4nc(-c5cccs5)nn42)CCCC3)ccc1Br ZINC000046022539 557022541 /nfs/dbraw/zinc/02/25/41/557022541.db2.gz PYHHQWZGFFDJCZ-UHFFFAOYSA-N 0 0 440.370 5.546 50 0 IKAARN FC(F)(F)c1cccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)c1 ZINC000046022906 557022647 /nfs/dbraw/zinc/02/26/47/557022647.db2.gz HJSNOGZPORVFSX-UHFFFAOYSA-N 0 0 443.860 5.620 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000043220754 557022821 /nfs/dbraw/zinc/02/28/21/557022821.db2.gz XZQRGZHBTOEPDS-QHCPKHFHSA-N 0 0 447.560 6.069 50 0 IKAARN Cc1ccnc(N[C@H](c2ccsc2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)c1 ZINC000043220774 557023389 /nfs/dbraw/zinc/02/33/89/557023389.db2.gz XBFCGBMCHAYRRM-JOCHJYFZSA-N 0 0 449.601 6.439 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)c4cccc(Oc5ccccc5)c4)n3)oc21 ZINC000010748334 557023545 /nfs/dbraw/zinc/02/35/45/557023545.db2.gz SELIUSOVTMWUCB-UHFFFAOYSA-N 0 0 442.496 6.610 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)c4ccc(Cc5ccccc5)cc4)n3)oc21 ZINC000010748109 557023650 /nfs/dbraw/zinc/02/36/50/557023650.db2.gz UJVUJUDGGKWNBV-UHFFFAOYSA-N 0 0 440.524 6.408 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(SC(C)C)c4)n3)oc21 ZINC000010750897 557024459 /nfs/dbraw/zinc/02/44/59/557024459.db2.gz RJUWEFCJTFANIA-UHFFFAOYSA-N 0 0 438.574 6.708 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cccn(Cc4ccc(C(F)(F)F)cc4)c3=O)sc2c1 ZINC000046049799 557026089 /nfs/dbraw/zinc/02/60/89/557026089.db2.gz RRDYNOKZJFWGGM-UHFFFAOYSA-N 0 0 443.450 5.086 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000072066764 557026129 /nfs/dbraw/zinc/02/61/29/557026129.db2.gz YHMSJOYYXSJKKN-IBGZPJMESA-N 0 0 440.330 5.297 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000072066765 557026189 /nfs/dbraw/zinc/02/61/89/557026189.db2.gz YHMSJOYYXSJKKN-LJQANCHMSA-N 0 0 440.330 5.297 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCc3ccccc3C2)cc1 ZINC000021797939 557026851 /nfs/dbraw/zinc/02/68/51/557026851.db2.gz RMPQGLRSXHYDTH-UHFFFAOYSA-N 0 0 432.527 5.659 50 0 IKAARN Cc1ccc(C)c(C(=O)c2cn(Cc3ccc(F)cc3Cl)c3nc(C)ccc3c2=O)c1 ZINC000046053774 557027064 /nfs/dbraw/zinc/02/70/64/557027064.db2.gz JRSUZMLNFQLABP-UHFFFAOYSA-N 0 0 434.898 5.394 50 0 IKAARN CSc1nnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 ZINC000032944962 557028341 /nfs/dbraw/zinc/02/83/41/557028341.db2.gz AEKOOTGQRBEHQT-CQSZACIVSA-N 0 0 441.525 5.751 50 0 IKAARN O=c1c2[nH]c3ccccc3c2nc(SC/C=C/c2ccccc2)n1-c1ccccc1F ZINC000017178076 557030811 /nfs/dbraw/zinc/03/08/11/557030811.db2.gz KNAHRLNBSBHJAX-DHZHZOJOSA-N 0 0 427.504 5.812 50 0 IKAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000017178003 557030960 /nfs/dbraw/zinc/03/09/60/557030960.db2.gz YVPOBBLWIFJCAG-UHFFFAOYSA-N 0 0 442.949 5.029 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OCC ZINC000046077097 557032731 /nfs/dbraw/zinc/03/27/31/557032731.db2.gz AGBZDVNAPATPDT-SFHVURJKSA-N 0 0 425.525 6.216 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cc(Br)ccc2OC)cc1 ZINC000046076463 557032754 /nfs/dbraw/zinc/03/27/54/557032754.db2.gz RJNMJHSZHVPTCA-MRXNPFEDSA-N 0 0 444.350 5.669 50 0 IKAARN CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077649 557033234 /nfs/dbraw/zinc/03/32/34/557033234.db2.gz ORIWPJCLQDHNTR-UHFFFAOYSA-N 0 0 436.961 5.289 50 0 IKAARN Cc1cccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2ccc(C)cc2NC3=O)c1 ZINC000046077491 557033256 /nfs/dbraw/zinc/03/32/56/557033256.db2.gz ZMPFVDUGRVPHIF-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1Cl ZINC000046078711 557033501 /nfs/dbraw/zinc/03/35/01/557033501.db2.gz AQIKWHVSSKDQDP-UHFFFAOYSA-N 0 0 434.923 5.502 50 0 IKAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(C)cc4)C3=O)cc2)cc1 ZINC000046079448 557034349 /nfs/dbraw/zinc/03/43/49/557034349.db2.gz SXWRWLGYHJXGQV-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1=O ZINC000046079392 557034419 /nfs/dbraw/zinc/03/44/19/557034419.db2.gz GXJCGAMZQWFTNW-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)NCCC4=CCCCC4)c3)C2=O)c1 ZINC000046079914 557035217 /nfs/dbraw/zinc/03/52/17/557035217.db2.gz FLDSVRAIUAHCFC-UHFFFAOYSA-N 0 0 431.580 5.448 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080038 557035306 /nfs/dbraw/zinc/03/53/06/557035306.db2.gz HOZIUTDJBVJWNF-UHFFFAOYSA-N 0 0 447.966 5.145 50 0 IKAARN O=C(NCc1ccc(-c2ccccc2F)o1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000046085992 557035718 /nfs/dbraw/zinc/03/57/18/557035718.db2.gz WIOZVANECVGBQU-UHFFFAOYSA-N 0 0 435.882 6.248 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000010841972 557035911 /nfs/dbraw/zinc/03/59/11/557035911.db2.gz XHVIDAVPESYXMG-UHFFFAOYSA-N 0 0 446.507 5.003 50 0 IKAARN COc1cccc(CN(C)C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1OC ZINC000023178196 557036347 /nfs/dbraw/zinc/03/63/47/557036347.db2.gz BAFXWIRVPTZMSQ-UHFFFAOYSA-N 0 0 442.515 5.606 50 0 IKAARN Clc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017178949 557038120 /nfs/dbraw/zinc/03/81/20/557038120.db2.gz GZMLBVYFJNAVGE-UHFFFAOYSA-N 0 0 440.938 5.867 50 0 IKAARN Cc1ccc(/C(=C(\c2ccccc2)c2ccc(N3C(=O)C=CC3=O)cc2)c2ccccc2)cc1 ZINC000204593779 557041894 /nfs/dbraw/zinc/04/18/94/557041894.db2.gz CIMVFJJQFXGASK-NVQSTNCTSA-N 0 0 441.530 6.432 50 0 IKAARN Cc1ccc2cc3c(NC(=O)c4ccccc4Br)nn(CC(C)C)c3nc2c1 ZINC000017251649 557042945 /nfs/dbraw/zinc/04/29/45/557042945.db2.gz YWBMCEULCGHFNM-UHFFFAOYSA-N 0 0 437.341 5.564 50 0 IKAARN CC(C)n1c(=O)c2ccccc2nc1SCC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000010864982 557043987 /nfs/dbraw/zinc/04/39/87/557043987.db2.gz UKFCNZBJBGAVBZ-UHFFFAOYSA-N 0 0 437.565 5.149 50 0 IKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)nc2)c1 ZINC000046146378 557044624 /nfs/dbraw/zinc/04/46/24/557044624.db2.gz GWXYJTSPVFALAR-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)nc2)cc1 ZINC000046146439 557044636 /nfs/dbraw/zinc/04/46/36/557044636.db2.gz WOLXVNHMMMGYAF-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 ZINC000017286765 557044903 /nfs/dbraw/zinc/04/49/03/557044903.db2.gz MEGKSZCTVZBDAD-UHFFFAOYSA-N 0 0 448.588 5.027 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1 ZINC000046146469 557045010 /nfs/dbraw/zinc/04/50/10/557045010.db2.gz ROFVGGYIGACLMS-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4ccc(C)c(Cl)c4)n3)nc2c1 ZINC000033270721 557047311 /nfs/dbraw/zinc/04/73/11/557047311.db2.gz IDCWMHJGKFLEFU-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4c(C)cc(C)cc4C)n3)nc2c1 ZINC000033270796 557047743 /nfs/dbraw/zinc/04/77/43/557047743.db2.gz BNHNIRUVFNVUGH-UHFFFAOYSA-N 0 0 435.553 5.043 50 0 IKAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4[nH]3)no2)c1 ZINC000033271002 557048470 /nfs/dbraw/zinc/04/84/70/557048470.db2.gz SUENFGXKBPSXET-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN CC(=O)c1cccc(OCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1 ZINC000048230056 557048675 /nfs/dbraw/zinc/04/86/75/557048675.db2.gz VGORLOHPGYEIRA-UHFFFAOYSA-N 0 0 440.293 5.462 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)cc1 ZINC000033271582 557049485 /nfs/dbraw/zinc/04/94/85/557049485.db2.gz AGUIGFFQLWNEPS-SFHVURJKSA-N 0 0 448.548 5.062 50 0 IKAARN CC(C)c1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2cnn(C(C)C)c2n1 ZINC000048261447 557049505 /nfs/dbraw/zinc/04/95/05/557049505.db2.gz TXGPICMHWKKWID-DEOSSOPVSA-N 0 0 427.552 5.392 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)c(C)c3)sc2c1 ZINC000033271744 557049804 /nfs/dbraw/zinc/04/98/04/557049804.db2.gz GMPPFMKFTLSICB-GOSISDBHSA-N 0 0 432.549 5.280 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000048263769 557050230 /nfs/dbraw/zinc/05/02/30/557050230.db2.gz KITGQIQFVLIYGA-KRWDZBQOSA-N 0 0 446.359 5.360 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033272037 557050886 /nfs/dbraw/zinc/05/08/86/557050886.db2.gz DGIXIKGKQKPTBB-UHFFFAOYSA-N 0 0 434.561 5.178 50 0 IKAARN Cc1cccc(OC2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)c1C ZINC000048287537 557053179 /nfs/dbraw/zinc/05/31/79/557053179.db2.gz WLZJXRVGBDBTTD-UHFFFAOYSA-N 0 0 445.588 5.083 50 0 IKAARN CCOc1ccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1OCC ZINC000017315463 557053436 /nfs/dbraw/zinc/05/34/36/557053436.db2.gz LPYTWIWKTVCCIO-UHFFFAOYSA-N 0 0 428.529 5.028 50 0 IKAARN CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2Cl)cc1 ZINC000017307671 557053869 /nfs/dbraw/zinc/05/38/69/557053869.db2.gz QZXUVJXPRFDYNC-UHFFFAOYSA-N 0 0 439.947 5.295 50 0 IKAARN CCOc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308004 557054239 /nfs/dbraw/zinc/05/42/39/557054239.db2.gz VOINYRZUDFIMIF-UHFFFAOYSA-N 0 0 428.540 5.194 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCc1ccc2c(c1)OCO2 ZINC000017309745 557054359 /nfs/dbraw/zinc/05/43/59/557054359.db2.gz YDPYRFQPUWKMQH-UHFFFAOYSA-N 0 0 438.742 5.219 50 0 IKAARN Cc1ccc(OC2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1C ZINC000048289161 557054455 /nfs/dbraw/zinc/05/44/55/557054455.db2.gz MRNVANNIEJJJLR-UHFFFAOYSA-N 0 0 445.588 5.083 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n2ncnc2n1 ZINC000033275990 557054976 /nfs/dbraw/zinc/05/49/76/557054976.db2.gz NDZXZLMPPXUXNJ-UHFFFAOYSA-N 0 0 440.479 5.150 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n2nc(C)nc2n1 ZINC000033276008 557055043 /nfs/dbraw/zinc/05/50/43/557055043.db2.gz WHUHBFIZMKMMOI-UHFFFAOYSA-N 0 0 438.944 5.444 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n2nc(C)nc2n1 ZINC000033276021 557055127 /nfs/dbraw/zinc/05/51/27/557055127.db2.gz RJVZVZBTGMBHCL-UHFFFAOYSA-N 0 0 440.479 5.069 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3cccnc3)nc3ccccc32)o1 ZINC000048291125 557055790 /nfs/dbraw/zinc/05/57/90/557055790.db2.gz FLWSRCNHUWFLNK-AWEZNQCLSA-N 0 0 445.479 5.505 50 0 IKAARN CN(Cn1nc2c(Cl)cc(Cl)cn2c1=S)[C@@H](c1ccccc1)c1ccccn1 ZINC000048275768 557055996 /nfs/dbraw/zinc/05/59/96/557055996.db2.gz HPYHSTZZUHZSQK-SFHVURJKSA-N 0 0 430.364 5.246 50 0 IKAARN Cc1cccc(C(=O)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C ZINC000082048773 557056306 /nfs/dbraw/zinc/05/63/06/557056306.db2.gz WPSPNQNZPWTZLN-UHFFFAOYSA-N 0 0 442.562 6.571 50 0 IKAARN Cc1cc(-c2cc(C(=O)N(Cc3ccccn3)C3CC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000048276723 557056427 /nfs/dbraw/zinc/05/64/27/557056427.db2.gz TUFHBZZFVOAWPG-UHFFFAOYSA-N 0 0 445.592 5.557 50 0 IKAARN CC(C)c1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)c2cnn(C(C)C)c2n1 ZINC000048277602 557056716 /nfs/dbraw/zinc/05/67/16/557056716.db2.gz JJQKHIZBBIQWRJ-UHFFFAOYSA-N 0 0 431.515 5.517 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4ccccc4Cl)[nH]c(=O)c3sc2=S)cc1 ZINC000032948576 557056828 /nfs/dbraw/zinc/05/68/28/557056828.db2.gz YTIQLMHMKGLCSS-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000023011728 557057354 /nfs/dbraw/zinc/05/73/54/557057354.db2.gz CRVAHRMEFFCPCU-UHFFFAOYSA-N 0 0 446.507 5.930 50 0 IKAARN CCN(C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1)c1ccc(F)cc1 ZINC000048279757 557057488 /nfs/dbraw/zinc/05/74/88/557057488.db2.gz YJRDYYIKVZPJJR-JLHYYAGUSA-N 0 0 427.476 5.172 50 0 IKAARN O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1CCCc2cc(F)c(F)cc21 ZINC000048286464 557058471 /nfs/dbraw/zinc/05/84/71/557058471.db2.gz NDYYSUWREDWRAQ-UHFFFAOYSA-N 0 0 430.458 5.169 50 0 IKAARN CSc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3c(cccc3Cl)s2)cc1 ZINC000010872817 557058509 /nfs/dbraw/zinc/05/85/09/557058509.db2.gz VXOYVFAIXWYPGF-OAHLLOKOSA-N 0 0 432.998 5.426 50 0 IKAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccc(F)cc3)nc21 ZINC000010875098 557059221 /nfs/dbraw/zinc/05/92/21/557059221.db2.gz YVANYZJVEUSALT-MRXNPFEDSA-N 0 0 446.569 5.138 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2CC)c1 ZINC000033278126 557060134 /nfs/dbraw/zinc/06/01/34/557060134.db2.gz DUFLRRHPQACPBR-UHFFFAOYSA-N 0 0 449.601 5.438 50 0 IKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc21 ZINC000033278575 557060492 /nfs/dbraw/zinc/06/04/92/557060492.db2.gz QBVCGBWSZPSZBK-UHFFFAOYSA-N 0 0 435.886 6.655 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000033278528 557060499 /nfs/dbraw/zinc/06/04/99/557060499.db2.gz BSINUZYFJMIPJW-UHFFFAOYSA-N 0 0 441.487 5.982 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cccc(SC)c3)cc21 ZINC000033278601 557060501 /nfs/dbraw/zinc/06/05/01/557060501.db2.gz MMYSSPFMZLBSKC-UHFFFAOYSA-N 0 0 447.535 6.806 50 0 IKAARN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc3cc(C)ccc3nc2C)cn1 ZINC000048310271 557060622 /nfs/dbraw/zinc/06/06/22/557060622.db2.gz MELIQYRTHGMJBX-UHFFFAOYSA-N 0 0 427.504 5.368 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NCc3cccc(F)c3)cc21 ZINC000033278685 557060712 /nfs/dbraw/zinc/06/07/12/557060712.db2.gz VPUKEVMGGBGKEF-UHFFFAOYSA-N 0 0 449.913 6.415 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc21 ZINC000033278676 557060838 /nfs/dbraw/zinc/06/08/38/557060838.db2.gz OBKPTEMTYWCTIO-UHFFFAOYSA-N 0 0 447.922 6.607 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)n1 ZINC000082230354 557061548 /nfs/dbraw/zinc/06/15/48/557061548.db2.gz HWYRNEJEGQFOFM-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN Cc1occc1-c1nnc(Sc2ncnc3scc(-c4ccc(Cl)cc4)c32)n1C ZINC000023075000 557061750 /nfs/dbraw/zinc/06/17/50/557061750.db2.gz QSMCKHBJWGZULB-UHFFFAOYSA-N 0 0 439.953 5.860 50 0 IKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c1Br ZINC000048300299 557062086 /nfs/dbraw/zinc/06/20/86/557062086.db2.gz XCEACNZOOSPFKF-UHFFFAOYSA-N 0 0 427.270 5.621 50 0 IKAARN C[C@H](SCc1cc(-c2ccc(Cl)cc2Cl)no1)C(=O)Nc1c(F)cccc1F ZINC000023103442 557063426 /nfs/dbraw/zinc/06/34/26/557063426.db2.gz KOGYCJQAELDDLR-JTQLQIEISA-N 0 0 443.302 6.187 50 0 IKAARN C[C@@H](SCc1cc(-c2ccc(Cl)cc2Cl)no1)C(=O)Nc1c(F)cccc1F ZINC000023103440 557063430 /nfs/dbraw/zinc/06/34/30/557063430.db2.gz KOGYCJQAELDDLR-SNVBAGLBSA-N 0 0 443.302 6.187 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 ZINC000048302463 557063697 /nfs/dbraw/zinc/06/36/97/557063697.db2.gz AYTUDVAWFIMIJS-UHFFFAOYSA-N 0 0 429.524 5.018 50 0 IKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000033288132 557065178 /nfs/dbraw/zinc/06/51/78/557065178.db2.gz ZFTGGQNHOSPZFN-MRXNPFEDSA-N 0 0 447.922 5.062 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1Br ZINC000033288180 557065238 /nfs/dbraw/zinc/06/52/38/557065238.db2.gz KUSQHIOBBRZOLJ-UHFFFAOYSA-N 0 0 448.320 5.017 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)c1 ZINC000023126907 557065475 /nfs/dbraw/zinc/06/54/75/557065475.db2.gz DLPDUAMYOBCCIG-UHFFFAOYSA-N 0 0 449.601 5.264 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000033288672 557065787 /nfs/dbraw/zinc/06/57/87/557065787.db2.gz JJFUBSAPYPIFSM-QGZVFWFLSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000033288475 557065850 /nfs/dbraw/zinc/06/58/50/557065850.db2.gz ZVARAQOVCLCERD-SFHVURJKSA-N 0 0 436.556 5.239 50 0 IKAARN COc1cc(OC)c(NC(=O)CSc2nccnc2Sc2ccccc2)cc1Cl ZINC000033288843 557066127 /nfs/dbraw/zinc/06/61/27/557066127.db2.gz XVOJWTZKFQHGMK-UHFFFAOYSA-N 0 0 447.969 5.029 50 0 IKAARN CCN1CCc2c(oc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=S)c32)C1 ZINC000033288732 557066141 /nfs/dbraw/zinc/06/61/41/557066141.db2.gz WOHUNZQMHSDJEV-UHFFFAOYSA-N 0 0 447.629 6.077 50 0 IKAARN COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1OC(C)C ZINC000048325566 557066216 /nfs/dbraw/zinc/06/62/16/557066216.db2.gz XBSZNCDHUNGKRY-ROUUACIJSA-N 0 0 444.572 5.400 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000017344582 557066815 /nfs/dbraw/zinc/06/68/15/557066815.db2.gz XOZJEVZFUAUMRR-QGZVFWFLSA-N 0 0 435.574 5.554 50 0 IKAARN O=C(c1ccc2ncsc2c1)N(Cc1ccc(Br)cc1)Cc1ccccn1 ZINC000048312586 557066859 /nfs/dbraw/zinc/06/68/59/557066859.db2.gz GERMLSRRHYUAAR-UHFFFAOYSA-N 0 0 438.350 5.296 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)c1 ZINC000033281390 557067203 /nfs/dbraw/zinc/06/72/03/557067203.db2.gz DPFHCYICHOZBPA-UHFFFAOYSA-N 0 0 429.520 5.307 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)c(C)c1 ZINC000033281388 557067247 /nfs/dbraw/zinc/06/72/47/557067247.db2.gz BFYVTBDOLKRJBB-UHFFFAOYSA-N 0 0 443.547 5.615 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)Nc3ccnn3Cc3ccccc3)c2oc1-c1ccccc1 ZINC000023141441 557067664 /nfs/dbraw/zinc/06/76/64/557067664.db2.gz YKLGTTLQISQDBD-UHFFFAOYSA-N 0 0 435.483 5.266 50 0 IKAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000023146746 557068596 /nfs/dbraw/zinc/06/85/96/557068596.db2.gz KSIHSULDVQPDBP-UHFFFAOYSA-N 0 0 435.281 5.122 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4C)cc3Cl)sc2c1 ZINC000033289258 557070472 /nfs/dbraw/zinc/07/04/72/557070472.db2.gz YSKCIBDLLDRCET-UHFFFAOYSA-N 0 0 428.966 6.034 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)c(Cl)c4)cc3)sc2c1 ZINC000033289328 557070830 /nfs/dbraw/zinc/07/08/30/557070830.db2.gz RZPNFDWLJBFOSQ-UHFFFAOYSA-N 0 0 444.965 5.735 50 0 IKAARN Cc1csc(-c2cc(S(=O)(=O)N(Cc3cccs3)C3CCCC3)c(C)s2)n1 ZINC000033290009 557071771 /nfs/dbraw/zinc/07/17/71/557071771.db2.gz NZUSCOWSKIGEBH-UHFFFAOYSA-N 0 0 438.665 5.683 50 0 IKAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)s2)n1 ZINC000033290001 557071775 /nfs/dbraw/zinc/07/17/75/557071775.db2.gz QCEOWMVPHMQQQY-UHFFFAOYSA-N 0 0 434.486 5.188 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3ccncc3)nc3ccccc32)o1 ZINC000048354521 557072660 /nfs/dbraw/zinc/07/26/60/557072660.db2.gz FGYZYRMZCWLDLL-AWEZNQCLSA-N 0 0 445.479 5.505 50 0 IKAARN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(C)c1 ZINC000033297839 557073588 /nfs/dbraw/zinc/07/35/88/557073588.db2.gz PSTZJUYPVWSCOF-OAHLLOKOSA-N 0 0 434.652 5.825 50 0 IKAARN Cc1cccc2cc(-c3csc(Cc4nc(-c5cccc(Cl)c5)no4)n3)c(=O)oc12 ZINC000033298265 557074191 /nfs/dbraw/zinc/07/41/91/557074191.db2.gz JRNZTFHRULDAPX-UHFFFAOYSA-N 0 0 435.892 5.519 50 0 IKAARN COc1cc(CN(C)C(=O)Nc2ccn(-c3ccccc3)n2)ccc1OCc1ccccc1 ZINC000048362427 557074349 /nfs/dbraw/zinc/07/43/49/557074349.db2.gz DWHCJAXOLZQVTL-UHFFFAOYSA-N 0 0 442.519 5.124 50 0 IKAARN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)c1=O ZINC000033298554 557074603 /nfs/dbraw/zinc/07/46/03/557074603.db2.gz SJVYYRWKHUVEAF-UHFFFAOYSA-N 0 0 429.564 5.340 50 0 IKAARN S=c1n(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)nc(-c2cccnc2)n1C1CC1 ZINC000048367095 557075405 /nfs/dbraw/zinc/07/54/05/557075405.db2.gz QGSDMLPPGAQFTL-UHFFFAOYSA-N 0 0 446.407 5.740 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000011287989 557077237 /nfs/dbraw/zinc/07/72/37/557077237.db2.gz CDAZLTLEBVCWKZ-NRFANRHFSA-N 0 0 442.987 5.402 50 0 IKAARN CCCCCCC(=O)N(CCCC)CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000004752990 557077953 /nfs/dbraw/zinc/07/79/53/557077953.db2.gz TYGUXLCQZLVJQZ-UHFFFAOYSA-N 0 0 430.618 5.441 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000033299587 557078330 /nfs/dbraw/zinc/07/83/30/557078330.db2.gz JUAGRKVVEMQTJP-MRXNPFEDSA-N 0 0 433.499 5.156 50 0 IKAARN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 ZINC000023270798 557081113 /nfs/dbraw/zinc/08/11/13/557081113.db2.gz RHYZCINLJKQTEN-UHFFFAOYSA-N 0 0 435.501 5.002 50 0 IKAARN CCCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(F)ccc21 ZINC000049001978 557081324 /nfs/dbraw/zinc/08/13/24/557081324.db2.gz RFAAULCSOMEHRS-UHFFFAOYSA-N 0 0 428.261 5.030 50 0 IKAARN CCCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2cc(F)ccc21 ZINC000049001966 557081397 /nfs/dbraw/zinc/08/13/97/557081397.db2.gz RMPJYRGHJFPRLI-UHFFFAOYSA-N 0 0 428.261 5.030 50 0 IKAARN O=C(Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1)C1CCOCC1 ZINC000023271142 557081501 /nfs/dbraw/zinc/08/15/01/557081501.db2.gz DGZHDMFTTJLXAB-UHFFFAOYSA-N 0 0 433.360 6.149 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c[nH]c5ccccc45)cc3)nn2)c(C)c1C ZINC000048985193 557081958 /nfs/dbraw/zinc/08/19/58/557081958.db2.gz ZDBCNYPSCWFEDO-UHFFFAOYSA-N 0 0 437.507 5.065 50 0 IKAARN COc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000048989214 557083375 /nfs/dbraw/zinc/08/33/75/557083375.db2.gz IAIOJKNOJYAJGV-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000023200060 557083435 /nfs/dbraw/zinc/08/34/35/557083435.db2.gz HMVNREMNCKZQTG-UHFFFAOYSA-N 0 0 433.556 5.371 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2cccc(Br)c2)n1 ZINC000049005310 557084215 /nfs/dbraw/zinc/08/42/15/557084215.db2.gz WYHZCNJCFVXTIE-OAHLLOKOSA-N 0 0 439.357 5.459 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000049005185 557084309 /nfs/dbraw/zinc/08/43/09/557084309.db2.gz NOZBPTIOMJQISL-HNNXBMFYSA-N 0 0 428.458 5.715 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000049005187 557084318 /nfs/dbraw/zinc/08/43/18/557084318.db2.gz NOZBPTIOMJQISL-OAHLLOKOSA-N 0 0 428.458 5.715 50 0 IKAARN Cc1ccc(F)c(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023330433 557084479 /nfs/dbraw/zinc/08/44/79/557084479.db2.gz PMZAKTBBYNJSCA-DEOSSOPVSA-N 0 0 437.946 5.727 50 0 IKAARN CCCCOC(=O)c1ccc(Nc2c(C(=O)N(CC)CC)cnc3nc(C)ccc32)cc1 ZINC000049005607 557084499 /nfs/dbraw/zinc/08/44/99/557084499.db2.gz ROSXHRRJUKXPAH-UHFFFAOYSA-N 0 0 434.540 5.121 50 0 IKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)c(C)c1 ZINC000049005531 557084633 /nfs/dbraw/zinc/08/46/33/557084633.db2.gz SKIJTGCMBBINFM-UHFFFAOYSA-N 0 0 427.346 5.235 50 0 IKAARN COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3nccnc23)ccc1F ZINC000023339941 557085886 /nfs/dbraw/zinc/08/58/86/557085886.db2.gz FBOUNCXRBXMTDX-MHZLTWQESA-N 0 0 438.506 5.407 50 0 IKAARN O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1ccc2cc[nH]c2c1 ZINC000033307409 557086779 /nfs/dbraw/zinc/08/67/79/557086779.db2.gz HLMKMKUZWFQHHW-UHFFFAOYSA-N 0 0 444.878 5.703 50 0 IKAARN COc1cccc([C@H](CNc2ncnc3sccc32)c2c[nH]c3ccccc32)c1OC ZINC000023381122 557089153 /nfs/dbraw/zinc/08/91/53/557089153.db2.gz IWBZSWBTCLSJKU-IBGZPJMESA-N 0 0 430.533 5.434 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000003111777 557089202 /nfs/dbraw/zinc/08/92/02/557089202.db2.gz SRFPWULGPUPYKK-SANMLTNESA-N 0 0 425.557 5.622 50 0 IKAARN CCOc1cccc(CNC(=O)c2cc(-c3sc(-c4cccc(C)c4)nc3C)n[nH]2)c1 ZINC000049002333 557090218 /nfs/dbraw/zinc/09/02/18/557090218.db2.gz YGPWVLCEOSGSFP-UHFFFAOYSA-N 0 0 432.549 5.146 50 0 IKAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023384553 557090250 /nfs/dbraw/zinc/09/02/50/557090250.db2.gz DFYNGAKYMDADLG-HHHXNRCGSA-N 0 0 437.543 5.125 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000023386413 557090261 /nfs/dbraw/zinc/09/02/61/557090261.db2.gz PJGXDCQPHXIWCB-LJQANCHMSA-N 0 0 440.927 5.309 50 0 IKAARN C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000023410493 557091027 /nfs/dbraw/zinc/09/10/27/557091027.db2.gz URIUZPZKVODFIY-QLXKLKPCSA-N 0 0 437.499 5.241 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000023436073 557092508 /nfs/dbraw/zinc/09/25/08/557092508.db2.gz QLGUZKBTKPTURP-DEOSSOPVSA-N 0 0 436.939 5.845 50 0 IKAARN O=C(CSc1nccc(N2CCCCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000033309971 557092664 /nfs/dbraw/zinc/09/26/64/557092664.db2.gz DFXJQOLTUNSURW-UHFFFAOYSA-N 0 0 444.910 5.260 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3onc4c3CCc3ccccc3-4)cc2)cc(Cl)n1 ZINC000023459301 557092834 /nfs/dbraw/zinc/09/28/34/557092834.db2.gz UCDMSYOFPXRZPN-UHFFFAOYSA-N 0 0 431.879 5.417 50 0 IKAARN O=C(Cc1cccc(F)c1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023453861 557092871 /nfs/dbraw/zinc/09/28/71/557092871.db2.gz NJHLUHHUZLDKAE-UHFFFAOYSA-N 0 0 431.486 5.388 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(Br)cc2C)n1 ZINC000049004673 557092825 /nfs/dbraw/zinc/09/28/25/557092825.db2.gz LQZDRBRGLUKIBU-UHFFFAOYSA-N 0 0 439.357 5.379 50 0 IKAARN Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4ccccc4F)ccc3n2)cc1 ZINC000033310110 557093323 /nfs/dbraw/zinc/09/33/23/557093323.db2.gz SUNCQMDBVPHMBC-UHFFFAOYSA-N 0 0 441.506 5.438 50 0 IKAARN O=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1cccc(Cl)c1Cl ZINC000049377800 557095085 /nfs/dbraw/zinc/09/50/85/557095085.db2.gz RYKSMTUUYRCZKW-UHFFFAOYSA-N 0 0 449.313 5.001 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000008426665 557095176 /nfs/dbraw/zinc/09/51/76/557095176.db2.gz XWMXZPAYTYZFRU-WIYYLYMNSA-N 0 0 441.350 5.762 50 0 IKAARN Cc1cc(C)cc(NC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)c1 ZINC000033311897 557095292 /nfs/dbraw/zinc/09/52/92/557095292.db2.gz ZTHZTSOUGGPAAT-UHFFFAOYSA-N 0 0 430.552 5.358 50 0 IKAARN COc1cc(NC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)cc(OC)c1OC ZINC000033312226 557096196 /nfs/dbraw/zinc/09/61/96/557096196.db2.gz WILCWZOYAGLQHR-UHFFFAOYSA-N 0 0 427.526 5.090 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000033312605 557096227 /nfs/dbraw/zinc/09/62/27/557096227.db2.gz SEAIQKVYCZFZQA-UHFFFAOYSA-N 0 0 436.459 5.141 50 0 IKAARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000004767874 557098588 /nfs/dbraw/zinc/09/85/88/557098588.db2.gz TXLDLEMYRAJHTL-XMMPIXPASA-N 0 0 447.535 5.218 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000004768005 557098883 /nfs/dbraw/zinc/09/88/83/557098883.db2.gz NCZZDYJSOQMMEC-DEOSSOPVSA-N 0 0 426.495 5.720 50 0 IKAARN CC1=Nc2nc3ccccc3n2[C@H](c2c(F)cccc2Cl)C1C(=O)OC1CCCCC1 ZINC000004768000 557098894 /nfs/dbraw/zinc/09/88/94/557098894.db2.gz QKQNUXQQFNBGAU-QFIPXVFZSA-N 0 0 439.918 5.994 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccccc1Cl ZINC000033316538 557098961 /nfs/dbraw/zinc/09/89/61/557098961.db2.gz XCRQIDZIMFMREH-ZBWUASRJSA-N 0 0 427.935 5.924 50 0 IKAARN COc1ccc(-c2ccc(-c3cn(C(=O)N4CCCC[C@@H]4c4ccccc4)nn3)cc2)cc1 ZINC000098050682 557099331 /nfs/dbraw/zinc/09/93/31/557099331.db2.gz OEHLNQDRVMDXQD-AREMUKBSSA-N 0 0 438.531 5.816 50 0 in-vitro IKAARN CN(Cc1ccccc1Br)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000023572454 557099365 /nfs/dbraw/zinc/09/93/65/557099365.db2.gz PRGVRIWJTKEYFJ-UHFFFAOYSA-N 0 0 432.321 5.332 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(Nc2cc(Nc3ccc(C)cc3)nc(C)n2)cc1 ZINC000033318354 557099699 /nfs/dbraw/zinc/09/96/99/557099699.db2.gz FVFFZIVRMUFSGB-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c1Cl ZINC000011332063 557099985 /nfs/dbraw/zinc/09/99/85/557099985.db2.gz PRLBZPYMVRZRAO-UHFFFAOYSA-N 0 0 428.724 5.965 50 0 IKAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3ccc(C(C)C)cc3)cccn12 ZINC000049405056 557100045 /nfs/dbraw/zinc/10/00/45/557100045.db2.gz AWVGWUPQMYGAMZ-UHFFFAOYSA-N 0 0 448.592 5.119 50 0 IKAARN Fc1ccc(-c2nnc(Cc3nc(-c4ccc(OCc5ccccc5)cc4)no3)o2)cc1 ZINC000049405273 557100670 /nfs/dbraw/zinc/10/06/70/557100670.db2.gz NXCOFUANEOJJOZ-UHFFFAOYSA-N 0 0 428.423 5.096 50 0 IKAARN COc1ccc(N(Cc2nc(-c3cccs3)oc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000023607681 557101125 /nfs/dbraw/zinc/10/11/25/557101125.db2.gz WDZWEXQPBCZTOM-UHFFFAOYSA-N 0 0 440.546 5.116 50 0 IKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000011347394 557103463 /nfs/dbraw/zinc/10/34/63/557103463.db2.gz UMQMAJXQCGTZCM-ZDUSSCGKSA-N 0 0 447.545 5.461 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCn4c5ccc(Cl)cc5nc4C3)cc2)c1 ZINC000033320616 557103822 /nfs/dbraw/zinc/10/38/22/557103822.db2.gz JGTCVORQRILIFW-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN Cc1ccc(N2CCn3c4ccccc4nc3C2)cc1NC(=O)COc1ccccc1Cl ZINC000033320591 557103885 /nfs/dbraw/zinc/10/38/85/557103885.db2.gz STFALZWYRZFLHB-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nnc(-c2cccs2)o1 ZINC000017660696 557105571 /nfs/dbraw/zinc/10/55/71/557105571.db2.gz XVWLOSCQZQRYFK-OAHLLOKOSA-N 0 0 431.542 6.973 50 0 IKAARN CCc1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1-c1ccccc1 ZINC000086036963 557106382 /nfs/dbraw/zinc/10/63/82/557106382.db2.gz OZNDWPSCTAKMOE-UHFFFAOYSA-N 0 0 426.541 6.734 50 0 IKAARN COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2cccc(Cl)c2)no1 ZINC000033325036 557107165 /nfs/dbraw/zinc/10/71/65/557107165.db2.gz FXSHMKVQEOGAIT-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1cccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)Nc3nccs3)[nH]2)c1 ZINC000049421460 557108178 /nfs/dbraw/zinc/10/81/78/557108178.db2.gz ZXMJLUOBTCJJNF-UHFFFAOYSA-N 0 0 440.525 5.079 50 0 IKAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)Nc1ccccc1Cl ZINC000086069963 557108347 /nfs/dbraw/zinc/10/83/47/557108347.db2.gz XRDSLKZLSMMZCG-UHFFFAOYSA-N 0 0 447.970 5.540 50 0 IKAARN Cc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1C ZINC000086069990 557108450 /nfs/dbraw/zinc/10/84/50/557108450.db2.gz KBGRSCVYKOQBHQ-UHFFFAOYSA-N 0 0 427.552 5.195 50 0 IKAARN CCc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)cn2)cc1 ZINC000049421922 557108925 /nfs/dbraw/zinc/10/89/25/557108925.db2.gz BFHVVPIWAFWOTP-UHFFFAOYSA-N 0 0 442.494 5.138 50 0 IKAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000033327315 557109741 /nfs/dbraw/zinc/10/97/41/557109741.db2.gz NISFRYUEDLXTKH-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(OC(C)C)cc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414565 557110070 /nfs/dbraw/zinc/11/00/70/557110070.db2.gz XFIQARJEULKAEU-XMMPIXPASA-N 0 0 443.547 5.859 50 0 IKAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4ccc(Cl)cc4Cl)CC3)no2)c1 ZINC000033327671 557110243 /nfs/dbraw/zinc/11/02/43/557110243.db2.gz NHKGVGOUBZXQHM-UHFFFAOYSA-N 0 0 445.350 5.203 50 0 IKAARN COc1ccc([C@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409415707 557110308 /nfs/dbraw/zinc/11/03/08/557110308.db2.gz ZJOCWQYDUULTPV-DEOSSOPVSA-N 0 0 443.547 5.546 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccc(O)c1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415543 557110314 /nfs/dbraw/zinc/11/03/14/557110314.db2.gz OMNNRPLYVWSWNG-HSZRJFAPSA-N 0 0 429.520 5.243 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)c(OC)c1 ZINC000409415634 557110344 /nfs/dbraw/zinc/11/03/44/557110344.db2.gz UWBLUBHBHNDNOH-FQEVSTJZSA-N 0 0 430.479 5.320 50 0 IKAARN O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000023723418 557111050 /nfs/dbraw/zinc/11/10/50/557111050.db2.gz DFEIFUFEHSMFGQ-NRFANRHFSA-N 0 0 427.935 5.793 50 0 IKAARN Cc1ccc(C(=O)CCC(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)s1 ZINC000023732158 557111632 /nfs/dbraw/zinc/11/16/32/557111632.db2.gz UPAHKDDTAKSYAS-UHFFFAOYSA-N 0 0 444.000 5.193 50 0 IKAARN CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3ccc(Cl)c(Cl)c3)n2n1 ZINC000043804388 557112214 /nfs/dbraw/zinc/11/22/14/557112214.db2.gz LSSHJLMWHGVSND-UHFFFAOYSA-N 0 0 449.363 5.456 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)c1cc(Br)ccc1Br ZINC000000642775 557114328 /nfs/dbraw/zinc/11/43/28/557114328.db2.gz XRFREEDHOYYOGT-UHFFFAOYSA-N 0 0 447.126 6.256 50 0 IKAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000049523060 557114529 /nfs/dbraw/zinc/11/45/29/557114529.db2.gz CQTZRZMWJHOXCV-UHFFFAOYSA-N 0 0 440.971 5.179 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000033331653 557115231 /nfs/dbraw/zinc/11/52/31/557115231.db2.gz LSBHXGDSVASFDW-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN Cn1c(CN[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc2ccccc21 ZINC000049622855 557115528 /nfs/dbraw/zinc/11/55/28/557115528.db2.gz ZMIYZWIDHMMCGR-JOCHJYFZSA-N 0 0 439.346 5.350 50 0 IKAARN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629719 557115874 /nfs/dbraw/zinc/11/58/74/557115874.db2.gz VNCMFBNLMGJGRH-NDEPHWFRSA-N 0 0 426.604 6.187 50 0 IKAARN COc1c2c(cc3c1[C@H](CC(=O)C1CCCCCCCCCCC1)N(C)CC3)OCO2 ZINC000049586663 557116522 /nfs/dbraw/zinc/11/65/22/557116522.db2.gz URAXPBQLFVGQED-NRFANRHFSA-N 0 0 429.601 5.833 50 0 biogenic IKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc1OCC ZINC000004783917 557117009 /nfs/dbraw/zinc/11/70/09/557117009.db2.gz KXIMFFUCPHXCKB-QVKFZJNVSA-N 0 0 428.598 6.125 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000113562355 557117161 /nfs/dbraw/zinc/11/71/61/557117161.db2.gz MLMOOEYZXAOIBZ-OAQYLSRUSA-N 0 0 431.517 5.063 50 0 IKAARN O=C(Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C1CCCCC1 ZINC000113563796 557117363 /nfs/dbraw/zinc/11/73/63/557117363.db2.gz KGWXZYSYDKVJOO-HXUWFJFHSA-N 0 0 442.968 5.283 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)C1=O ZINC000004784377 557117602 /nfs/dbraw/zinc/11/76/02/557117602.db2.gz CTVRCVAIAQHOEX-NDEPHWFRSA-N 0 0 427.544 5.434 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(N3CCCCCC3)C2=C(N2CCCC2)C1 ZINC000049676331 557117669 /nfs/dbraw/zinc/11/76/69/557117669.db2.gz IBCLQYAWVKLANK-PMERELPUSA-N 0 0 426.545 6.059 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000001069451 557118653 /nfs/dbraw/zinc/11/86/53/557118653.db2.gz BNHNTZVVHUXJHD-UHFFFAOYSA-N 0 0 427.342 6.116 50 0 IKAARN Cc1cc(I)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000001068464 557118717 /nfs/dbraw/zinc/11/87/17/557118717.db2.gz YEKJHUVNVSSSHP-UHFFFAOYSA-N 0 0 429.685 5.049 50 0 IKAARN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccccc1C ZINC000001069197 557118731 /nfs/dbraw/zinc/11/87/31/557118731.db2.gz XJJHQVPIAJFKAC-UHFFFAOYSA-N 0 0 429.339 5.046 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000001074654 557118738 /nfs/dbraw/zinc/11/87/38/557118738.db2.gz OZLIVLPNVIBBRC-UHFFFAOYSA-N 0 0 425.316 5.142 50 0 IKAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c12 ZINC000014898983 557118830 /nfs/dbraw/zinc/11/88/30/557118830.db2.gz AEJHFZDAXFZTKM-UHFFFAOYSA-N 0 0 432.814 5.044 50 0 IKAARN CCCOc1ccc(-c2csc(NC(=O)Cc3nc(-c4ccccc4)oc3C)n2)cc1 ZINC000014899199 557118974 /nfs/dbraw/zinc/11/89/74/557118974.db2.gz AWQHKPLXDHDTKM-UHFFFAOYSA-N 0 0 433.533 5.744 50 0 IKAARN CC1=CC(C)(C)N(C(=O)/C=C\c2ccco2)c2ccc(OC(=O)/C=C/c3ccco3)cc21 ZINC000033335886 557119017 /nfs/dbraw/zinc/11/90/17/557119017.db2.gz IDYDTONCIAPYDQ-TVRQEHKRSA-N 0 0 429.472 5.733 50 0 IKAARN CCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004787192 557119687 /nfs/dbraw/zinc/11/96/87/557119687.db2.gz HSCMQLHVBYITGZ-XMMPIXPASA-N 0 0 431.536 5.600 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 ZINC000001172449 557119726 /nfs/dbraw/zinc/11/97/26/557119726.db2.gz KVBXKUZLEHJAHA-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000004786558 557119957 /nfs/dbraw/zinc/11/99/57/557119957.db2.gz MRSDYMYHPHCCHU-HSZRJFAPSA-N 0 0 428.467 5.112 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000004786726 557120011 /nfs/dbraw/zinc/12/00/11/557120011.db2.gz COWGUGYUPXKJIP-HSZRJFAPSA-N 0 0 428.467 5.112 50 0 IKAARN Cc1cccc(C)c1Nc1c(CN2C(=O)c3ccccc3C2=O)nc2ccc(Cl)cn21 ZINC000004789126 557120212 /nfs/dbraw/zinc/12/02/12/557120212.db2.gz JHBXTMZSWYNNTE-UHFFFAOYSA-N 0 0 430.895 5.144 50 0 IKAARN C/C(=C\c1ccccc1)c1nc2ccc(Br)cn2c1Nc1c(C)cccc1C ZINC000004789120 557120239 /nfs/dbraw/zinc/12/02/39/557120239.db2.gz WVRVZPWXQXBFLC-NBVRZTHBSA-N 0 0 432.365 7.018 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000023860558 557120675 /nfs/dbraw/zinc/12/06/75/557120675.db2.gz GGIAAXPTNVBGPH-JOCHJYFZSA-N 0 0 443.591 5.027 50 0 IKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(F)cc3)cc21 ZINC000000623933 557121727 /nfs/dbraw/zinc/12/17/27/557121727.db2.gz FRERQUCBIQXBDT-UHFFFAOYSA-N 0 0 435.245 5.081 50 0 IKAARN CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc4ccccc43)C1=O)CCC2 ZINC000098086332 557122012 /nfs/dbraw/zinc/12/20/12/557122012.db2.gz NBRJPUGYYBCZIS-BUVRLJJBSA-N 0 0 429.541 5.964 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000017782923 557122197 /nfs/dbraw/zinc/12/21/97/557122197.db2.gz QDXBFWQKAZIOBG-HDICACEKSA-N 0 0 430.983 6.532 50 0 IKAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000034701086 557123200 /nfs/dbraw/zinc/12/32/00/557123200.db2.gz AZXUPOSZUTWDQD-UHFFFAOYSA-N 0 0 429.516 5.117 50 0 IKAARN O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000098086512 557123309 /nfs/dbraw/zinc/12/33/09/557123309.db2.gz DTGMVSXFGMJIJB-NVNXTCNLSA-N 0 0 443.149 5.992 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000023904873 557124044 /nfs/dbraw/zinc/12/40/44/557124044.db2.gz FQUVCSVCBRFYCH-CQSZACIVSA-N 0 0 425.583 5.589 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc(NC(=O)Cc2ccc(OC)cc2)ccc1Cl ZINC000214076349 557124061 /nfs/dbraw/zinc/12/40/61/557124061.db2.gz PJAQTPQPKHZURM-UHFFFAOYSA-N 0 0 438.911 5.181 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(Cc1ccco1)C(=O)C(C)(C)C ZINC000006694959 557124810 /nfs/dbraw/zinc/12/48/10/557124810.db2.gz UBPYAHZUGFOGJB-UHFFFAOYSA-N 0 0 427.589 5.295 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccncc3)c3cc(Br)ccc3n2)cc1C ZINC000000648464 557124880 /nfs/dbraw/zinc/12/48/80/557124880.db2.gz YGGAEIYQKOOWGM-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(Nc4ccccc4Cl)s3)o2)c1 ZINC000017837532 557125056 /nfs/dbraw/zinc/12/50/56/557125056.db2.gz MJVBASOZQXKDSE-GFCCVEGCSA-N 0 0 429.958 6.147 50 0 IKAARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccc(F)cc2)c1 ZINC000606422427 557125177 /nfs/dbraw/zinc/12/51/77/557125177.db2.gz CHDMJPWHROQMMD-UHFFFAOYSA-N 0 0 429.495 5.397 50 0 IKAARN Cc1cccc(-c2nnc([C@H](C)Sc3nnc(Nc4ccccc4Cl)s3)o2)c1 ZINC000017837534 557125328 /nfs/dbraw/zinc/12/53/28/557125328.db2.gz MJVBASOZQXKDSE-LBPRGKRZSA-N 0 0 429.958 6.147 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793159 557125454 /nfs/dbraw/zinc/12/54/54/557125454.db2.gz NCWSTRASNGPMQZ-CLJLJLNGSA-N 0 0 437.543 5.290 50 0 IKAARN O=c1[nH]c(CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)nc2cc(Cl)ccc12 ZINC000023909432 557125491 /nfs/dbraw/zinc/12/54/91/557125491.db2.gz LBAJHCUNKVCZFK-NRFANRHFSA-N 0 0 441.865 5.057 50 0 IKAARN Cn1cc([C@@H]2[C@@H](C(=O)NCCC3=CCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792518 557125853 /nfs/dbraw/zinc/12/58/53/557125853.db2.gz GEGIKXILYSZTES-IZZNHLLZSA-N 0 0 441.575 5.096 50 0 IKAARN CC(C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722831 557126263 /nfs/dbraw/zinc/12/62/63/557126263.db2.gz VBLUNOYNNODANI-UHFFFAOYSA-N 0 0 427.564 5.317 50 0 IKAARN CCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004793555 557126464 /nfs/dbraw/zinc/12/64/64/557126464.db2.gz QLGWBIDLUMAOEG-CLJLJLNGSA-N 0 0 437.543 5.290 50 0 IKAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004793565 557126512 /nfs/dbraw/zinc/12/65/12/557126512.db2.gz QLGWBIDLUMAOEG-UIOOFZCWSA-N 0 0 437.543 5.290 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017860198 557126684 /nfs/dbraw/zinc/12/66/84/557126684.db2.gz BPCKCISMEYBLFD-SMIHKQSGSA-N 0 0 426.516 5.035 50 0 IKAARN O=C(NCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000017910518 557128002 /nfs/dbraw/zinc/12/80/02/557128002.db2.gz IVWKXCZZTIROMX-UHFFFAOYSA-N 0 0 446.978 5.141 50 0 IKAARN CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000023968413 557128219 /nfs/dbraw/zinc/12/82/19/557128219.db2.gz UQEAFKIFAMTKQN-HHHXNRCGSA-N 0 0 441.531 5.005 50 0 IKAARN CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000096767627 557128285 /nfs/dbraw/zinc/12/82/85/557128285.db2.gz DZYPBJQHTDCBQD-BOPFTXTBSA-N 0 0 438.474 5.527 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000017920679 557128896 /nfs/dbraw/zinc/12/88/96/557128896.db2.gz FWPXXWJCAFWHHE-ZLNRFVROSA-N 0 0 432.907 5.008 50 0 IKAARN Cc1cc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)ccc1Br ZINC000000661144 557130896 /nfs/dbraw/zinc/13/08/96/557130896.db2.gz LOLJECNXHBPUHS-UHFFFAOYSA-N 0 0 439.338 5.264 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc3c(c(C(F)(F)F)c12)CCC3 ZINC000000664067 557131442 /nfs/dbraw/zinc/13/14/42/557131442.db2.gz DUOMHHHGKNBNOE-UHFFFAOYSA-N 0 0 429.826 5.431 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(C(F)(F)F)c12)CCCCCC3 ZINC000000664049 557131474 /nfs/dbraw/zinc/13/14/74/557131474.db2.gz XYPYVZHEJDFEQU-UHFFFAOYSA-N 0 0 437.462 5.948 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1sc2nc3c(c(C(F)(F)F)c2c1N)CCCC3 ZINC000000664074 557131572 /nfs/dbraw/zinc/13/15/72/557131572.db2.gz AXOWNVOADGXIHH-UHFFFAOYSA-N 0 0 439.890 5.990 50 0 IKAARN O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc21)N1CCc2ccccc21 ZINC000000668792 557131876 /nfs/dbraw/zinc/13/18/76/557131876.db2.gz RXPLFAHGFYEXBP-UHFFFAOYSA-N 0 0 429.317 5.867 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c3ccccc3n2)s1 ZINC000000670564 557132853 /nfs/dbraw/zinc/13/28/53/557132853.db2.gz HYPXQCPGZJSFLW-UHFFFAOYSA-N 0 0 447.585 5.563 50 0 IKAARN COc1cc(/C=C2/C(=O)Nc3ccccc32)c(Br)cc1OCc1ccccc1 ZINC000000672989 557133232 /nfs/dbraw/zinc/13/32/32/557133232.db2.gz SSNBHTAVPVALRY-WOJGMQOQSA-N 0 0 436.305 5.529 50 0 IKAARN O=C(NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000000674987 557133456 /nfs/dbraw/zinc/13/34/56/557133456.db2.gz VVYCOCZXWXVGDJ-AEFFLSMTSA-N 0 0 434.849 5.127 50 0 IKAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(Cl)c(Cl)c1 ZINC000017963075 557133468 /nfs/dbraw/zinc/13/34/68/557133468.db2.gz HVHLFWMCUXGNKD-GFCCVEGCSA-N 0 0 431.348 5.344 50 0 IKAARN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002861242 557133773 /nfs/dbraw/zinc/13/37/73/557133773.db2.gz BJAVDOUPOKQFNJ-UHFFFAOYSA-N 0 0 432.888 5.975 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002843972 557133966 /nfs/dbraw/zinc/13/39/66/557133966.db2.gz KSDOCVIMBMNIJN-UHFFFAOYSA-N 0 0 434.870 6.153 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3C)nc2c1 ZINC000002970687 557134387 /nfs/dbraw/zinc/13/43/87/557134387.db2.gz YUVULNYZIIINPU-UHFFFAOYSA-N 0 0 432.932 7.232 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)C(=O)O2)cc1 ZINC000002990764 557134883 /nfs/dbraw/zinc/13/48/83/557134883.db2.gz MYEAGBJKUXHHSK-XQNSMLJCSA-N 0 0 443.474 5.687 50 0 IKAARN Cc1cc(Br)ccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000002891219 557135128 /nfs/dbraw/zinc/13/51/28/557135128.db2.gz GEXNWSGAHJMEHG-UHFFFAOYSA-N 0 0 433.758 5.691 50 0 IKAARN CCc1c(C)sc2nc(SCc3nnsc3Cl)n(-c3cccc(C)c3)c(=O)c12 ZINC000024078589 557135418 /nfs/dbraw/zinc/13/54/18/557135418.db2.gz ZMWKNNGJKBWWQX-UHFFFAOYSA-N 0 0 449.026 5.424 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000033363689 557135857 /nfs/dbraw/zinc/13/58/57/557135857.db2.gz WMEHCJJSXDBOOZ-UHFFFAOYSA-N 0 0 432.523 6.891 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3nc(-c4cccc(Cl)c4)no3)o2)cc1 ZINC000017981557 557135933 /nfs/dbraw/zinc/13/59/33/557135933.db2.gz LNVKXTCMDOJEKP-UHFFFAOYSA-N 0 0 426.929 6.030 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 ZINC000000689180 557136515 /nfs/dbraw/zinc/13/65/15/557136515.db2.gz XKRROVOPYHSMKB-UHFFFAOYSA-N 0 0 426.472 5.324 50 0 IKAARN CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004811821 557136562 /nfs/dbraw/zinc/13/65/62/557136562.db2.gz NDKACQGBXQYWOY-XCZPVHLTSA-N 0 0 426.560 6.888 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000004811568 557136606 /nfs/dbraw/zinc/13/66/06/557136606.db2.gz RJJBNZOLYQZPJQ-WCGRQVSMSA-N 0 0 429.541 5.825 50 0 IKAARN COc1cc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1Cl ZINC000000691570 557136812 /nfs/dbraw/zinc/13/68/12/557136812.db2.gz OYJTWJOCRBFIAN-UHFFFAOYSA-N 0 0 431.945 5.070 50 0 IKAARN Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)c(=O)n(-c2ccccc2)n1C ZINC000024770684 557136853 /nfs/dbraw/zinc/13/68/53/557136853.db2.gz JCKLERCQPYAUOV-FYWRMAATSA-N 0 0 449.963 5.518 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)N1CCCCC1 ZINC000000695377 557137504 /nfs/dbraw/zinc/13/75/04/557137504.db2.gz QWANFYJZNYOVLL-AREMUKBSSA-N 0 0 440.562 6.363 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccccc3C)cc2)c1 ZINC000000696823 557137508 /nfs/dbraw/zinc/13/75/08/557137508.db2.gz BESKMMPMVHEQLC-UHFFFAOYSA-N 0 0 442.519 5.291 50 0 IKAARN Nc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc(Oc2cccnc2)c1 ZINC000000704896 557138937 /nfs/dbraw/zinc/13/89/37/557138937.db2.gz ODZPKVAISZKCGI-UHFFFAOYSA-N 0 0 447.498 5.561 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(Oc3nc(C)nc4sc5c(c43)CCCC5)cc2)c1 ZINC000000707072 557140219 /nfs/dbraw/zinc/14/02/19/557140219.db2.gz JJFQQUYOEMJUJZ-UHFFFAOYSA-N 0 0 445.544 5.932 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](C1=Cc3ccccc3OC1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413368 557145612 /nfs/dbraw/zinc/14/56/12/557145612.db2.gz BNODSQPSQQEQLX-DEOSSOPVSA-N 0 0 439.515 5.500 50 0 IKAARN O=C1C[C@@H](c2ccccc2Br)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415475 557145946 /nfs/dbraw/zinc/14/59/46/557145946.db2.gz LCVJBSLVAYJIGQ-SFHVURJKSA-N 0 0 449.323 6.065 50 0 IKAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccccc1Oc1ccccc1Cl ZINC000024401282 557146254 /nfs/dbraw/zinc/14/62/54/557146254.db2.gz HGIHWCYKKMEUFK-UHFFFAOYSA-N 0 0 445.862 5.227 50 0 IKAARN Cc1noc([C@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)n1 ZINC000024434108 557146586 /nfs/dbraw/zinc/14/65/86/557146586.db2.gz CAMWGEQXUGLSGW-NSHDSACASA-N 0 0 438.384 6.302 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccc(O)c1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415544 557146621 /nfs/dbraw/zinc/14/66/21/557146621.db2.gz OMNNRPLYVWSWNG-QHCPKHFHSA-N 0 0 429.520 5.243 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccccc1F)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415549 557146679 /nfs/dbraw/zinc/14/66/79/557146679.db2.gz OOIHNRCSLPWEMT-HSZRJFAPSA-N 0 0 431.511 5.676 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 ZINC000011427579 557146783 /nfs/dbraw/zinc/14/67/83/557146783.db2.gz DGEJSAYLMMSFOF-UHFFFAOYSA-N 0 0 443.503 5.126 50 0 IKAARN O=C(Nc1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F)Nc1cccc2ccccc21 ZINC000000716908 557148149 /nfs/dbraw/zinc/14/81/49/557148149.db2.gz YZSBYYGLWUYEHG-KRWDZBQOSA-N 0 0 428.332 6.356 50 0 IKAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000000717979 557148382 /nfs/dbraw/zinc/14/83/82/557148382.db2.gz GOEMEMPXHVGXON-DEOSSOPVSA-N 0 0 427.529 5.323 50 0 IKAARN Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(OC(F)(F)Cl)cc2)n1 ZINC000000719002 557148902 /nfs/dbraw/zinc/14/89/02/557148902.db2.gz BMHOIEJZVKHXQA-UHFFFAOYSA-N 0 0 427.238 5.646 50 0 IKAARN Cc1c(NC(=O)c2ccccc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000719271 557149229 /nfs/dbraw/zinc/14/92/29/557149229.db2.gz YZBKVGFAKFOIOI-UHFFFAOYSA-N 0 0 443.952 5.563 50 0 aggregator IKAARN Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc32)cc1 ZINC000000719336 557149247 /nfs/dbraw/zinc/14/92/47/557149247.db2.gz UZQPBZSYCYMHDN-UHFFFAOYSA-N 0 0 431.495 6.650 50 0 aggregator IKAARN COc1c(Cl)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1Cl ZINC000011452208 557150430 /nfs/dbraw/zinc/15/04/30/557150430.db2.gz ZCCABSUHQXVGDR-UHFFFAOYSA-N 0 0 448.331 5.263 50 0 IKAARN O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1SC(F)F ZINC000011473735 557152210 /nfs/dbraw/zinc/15/22/10/557152210.db2.gz GVVJCMUDVLOCLG-UHFFFAOYSA-N 0 0 441.455 5.028 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccccc2Cl)c2ccc(F)cc2)c1C ZINC000000720568 557152654 /nfs/dbraw/zinc/15/26/54/557152654.db2.gz LEJQLKLPWGAHCB-UHFFFAOYSA-N 0 0 428.891 5.448 50 0 IKAARN COc1ccc(NC(=O)C2(N3C(=O)C[C@@H]3c3ccc(OC(C)C)cc3)CCCCC2)cc1 ZINC000000720397 557152694 /nfs/dbraw/zinc/15/26/94/557152694.db2.gz KZJDBBVJCDINJJ-HSZRJFAPSA-N 0 0 436.552 5.097 50 0 IKAARN CCOc1ccc([C@H]2CC(=O)N2C2(C(=O)Nc3ccc(C)cc3)CCCCC2)cc1OC ZINC000000720428 557152716 /nfs/dbraw/zinc/15/27/16/557152716.db2.gz QHVFAXIBHQTGID-OAQYLSRUSA-N 0 0 436.552 5.017 50 0 IKAARN O=C(C1CCOCC1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000023271485 557152856 /nfs/dbraw/zinc/15/28/56/557152856.db2.gz YOLHTUWUQRHQIC-UHFFFAOYSA-N 0 0 447.387 6.077 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000095115695 557156362 /nfs/dbraw/zinc/15/63/62/557156362.db2.gz XJHIYPJJISFYQX-CJAUYULYSA-N 0 0 432.951 5.916 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000095115696 557156515 /nfs/dbraw/zinc/15/65/15/557156515.db2.gz XJHIYPJJISFYQX-BVZFJXPGSA-N 0 0 432.951 5.916 50 0 IKAARN C[C@H]1CCc2c(sc3nc(-c4ccc(S(C)(=O)=O)cc4)cc(-c4ccccc4)c23)C1 ZINC000024634772 557156791 /nfs/dbraw/zinc/15/67/91/557156791.db2.gz GWXYXBJQIQHMHY-INIZCTEOSA-N 0 0 433.598 6.159 50 0 IKAARN CCOC(=O)c1oc2cc(OCc3ccccc3F)ccc2c(=O)c1-c1ccc(OC)cc1 ZINC000000728013 557157023 /nfs/dbraw/zinc/15/70/23/557157023.db2.gz PXAIAEQTIKTQMG-UHFFFAOYSA-N 0 0 448.446 5.363 50 0 IKAARN COc1ccccc1-c1c(C)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2c1=O ZINC000000728062 557157311 /nfs/dbraw/zinc/15/73/11/557157311.db2.gz SPSOGNIKLKBJFF-UHFFFAOYSA-N 0 0 434.875 5.692 50 0 IKAARN O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](c3ccccc3)C[C@@H]12 ZINC000016957229 557158711 /nfs/dbraw/zinc/15/87/11/557158711.db2.gz RRYJEBVHIBXFON-DYESRHJHSA-N 0 0 427.466 5.323 50 0 IKAARN COC(=O)Cc1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1 ZINC000024746692 557161376 /nfs/dbraw/zinc/16/13/76/557161376.db2.gz PKMSRKCQOCSUFN-UHFFFAOYSA-N 0 0 430.533 5.091 50 0 IKAARN COc1ccc(OCc2cc(C(=O)Nc3ccccc3Cc3ccccc3)c(C)o2)cc1 ZINC000024751122 557162325 /nfs/dbraw/zinc/16/23/25/557162325.db2.gz WTUCKVQZJZTSRB-UHFFFAOYSA-N 0 0 427.500 6.019 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNc1ccccc1C(=O)Nc1ccccc1 ZINC000024756582 557163214 /nfs/dbraw/zinc/16/32/14/557163214.db2.gz QXJDQBONOQZYBE-KRWDZBQOSA-N 0 0 444.560 5.180 50 0 IKAARN CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000024759712 557163960 /nfs/dbraw/zinc/16/39/60/557163960.db2.gz DKPAIAJPPQTWKL-QFIPXVFZSA-N 0 0 441.358 5.536 50 0 IKAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1cccc(Cl)c1Cl ZINC000024763141 557164574 /nfs/dbraw/zinc/16/45/74/557164574.db2.gz JEFZBJJADOWVFQ-NSHDSACASA-N 0 0 434.348 5.744 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000024766686 557165228 /nfs/dbraw/zinc/16/52/28/557165228.db2.gz NEOPBKWZQFRLMS-UHFFFAOYSA-N 0 0 428.517 6.015 50 0 IKAARN CCSc1ccccc1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000206896592 557165716 /nfs/dbraw/zinc/16/57/16/557165716.db2.gz SZTKRHSUDCNZIP-UHFFFAOYSA-N 0 0 434.561 6.981 50 0 IKAARN Cc1cccn2cc(-c3ccccc3NC(=O)c3cc(-c4ccc(F)cc4F)nn3C)nc12 ZINC000206902538 557166019 /nfs/dbraw/zinc/16/60/19/557166019.db2.gz DHVIXGIZRQHXBK-UHFFFAOYSA-N 0 0 443.457 5.241 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)Cc1ccccc1Cl ZINC000024776151 557166639 /nfs/dbraw/zinc/16/66/39/557166639.db2.gz JETXJPFVOSTVNU-UHFFFAOYSA-N 0 0 449.359 5.284 50 0 IKAARN O=C(Nc1ccccc1Cl)OCCCc1nc2ccccc2n1C(=O)Nc1ccccc1 ZINC000003154781 557166694 /nfs/dbraw/zinc/16/66/94/557166694.db2.gz LKQNOLIGTTYPBJ-UHFFFAOYSA-N 0 0 448.910 5.951 50 0 IKAARN O=C(Nc1ccccc1)OCCCc1nc2ccccc2n1C(=O)Nc1cccc(Cl)c1 ZINC000003154783 557166808 /nfs/dbraw/zinc/16/68/08/557166808.db2.gz MISPDSIGIVAZKQ-UHFFFAOYSA-N 0 0 448.910 5.951 50 0 IKAARN CC(C)CNC(=O)c1cc(NC(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCCC1 ZINC000000747418 557167629 /nfs/dbraw/zinc/16/76/29/557167629.db2.gz CHMYMMMOLPDHFN-UHFFFAOYSA-N 0 0 432.927 5.109 50 0 IKAARN CC(C)CNC(=O)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CCCC1 ZINC000000747412 557167638 /nfs/dbraw/zinc/16/76/38/557167638.db2.gz PSRUEYAPGAVEES-UHFFFAOYSA-N 0 0 448.489 5.335 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000000752965 557168626 /nfs/dbraw/zinc/16/86/26/557168626.db2.gz KCHHXIOBIDUCEY-UHFFFAOYSA-N 0 0 434.542 5.413 50 0 IKAARN COc1cc(-c2nc3ccccc3c(NCc3ccc(Cl)cc3)n2)cc(OC)c1OC ZINC000000752835 557168687 /nfs/dbraw/zinc/16/86/87/557168687.db2.gz IPWGJLWGOMMOTN-UHFFFAOYSA-N 0 0 435.911 5.588 50 0 IKAARN CCOc1ccc(-n2c(SC)nc3c(sc(=S)n3-c3ccccc3)c2=O)cc1 ZINC000000756681 557170073 /nfs/dbraw/zinc/17/00/73/557170073.db2.gz KZYSXIDPRBOJMA-UHFFFAOYSA-N 0 0 427.576 5.088 50 0 IKAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000024831311 557170287 /nfs/dbraw/zinc/17/02/87/557170287.db2.gz BHBXBMMHPVHLOT-UHFFFAOYSA-N 0 0 444.510 5.227 50 0 IKAARN CCOc1ccccc1-n1c2nc(SC)n(-c3ccccc3F)c(=O)c2sc1=S ZINC000000756703 557170355 /nfs/dbraw/zinc/17/03/55/557170355.db2.gz WRXRLTXPWLNONO-UHFFFAOYSA-N 0 0 445.566 5.227 50 0 IKAARN c1ccc(Cc2nc3sc4c(c3c(Nc3ccc5c(c3)OCCO5)n2)CCCC4)cc1 ZINC000000756886 557170441 /nfs/dbraw/zinc/17/04/41/557170441.db2.gz GLJWBIPXUGGLHM-UHFFFAOYSA-N 0 0 429.545 5.676 50 0 IKAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024831361 557170607 /nfs/dbraw/zinc/17/06/07/557170607.db2.gz BXIHZWJRHPBXOH-ILBGXUMGSA-N 0 0 440.499 5.070 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207014158 557170747 /nfs/dbraw/zinc/17/07/47/557170747.db2.gz MTTSSBLKPWUHEI-OAHLLOKOSA-N 0 0 445.972 5.090 50 0 IKAARN CCCc1noc([C@H](C)SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)n1 ZINC000024832060 557170989 /nfs/dbraw/zinc/17/09/89/557170989.db2.gz LZJRVRFCGSWAEH-NOMGLIDZSA-N 0 0 436.512 5.399 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)co2)c(C)c1 ZINC000024833478 557171175 /nfs/dbraw/zinc/17/11/75/557171175.db2.gz VXPXMUGYIUIPLI-UHFFFAOYSA-N 0 0 442.544 6.151 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)Nc3nc(CN4CCCC4)cs3)c2oc1-c1ccccc1 ZINC000024843247 557173845 /nfs/dbraw/zinc/17/38/45/557173845.db2.gz UAIWUIYJIIORGY-UHFFFAOYSA-N 0 0 445.544 5.073 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cc2ccccc2o1 ZINC000008784706 557173914 /nfs/dbraw/zinc/17/39/14/557173914.db2.gz XQYUKJVCRHPRMX-UHFFFAOYSA-N 0 0 430.892 5.235 50 0 IKAARN O=C(NC1CC1)c1ccc(CN(Cc2nc3ccccc3c(-c3ccccc3)n2)C2CC2)cc1 ZINC000024865738 557175247 /nfs/dbraw/zinc/17/52/47/557175247.db2.gz GBQVGOFRIPZLRI-UHFFFAOYSA-N 0 0 448.570 5.354 50 0 IKAARN Cc1nc(NC(=O)c2ccccc2COc2ccccc2)sc1-c1nccn1C(F)F ZINC000024865461 557175297 /nfs/dbraw/zinc/17/52/97/557175297.db2.gz SNUJBJRZWOFACG-UHFFFAOYSA-N 0 0 440.475 5.541 50 0 IKAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2csc(-c3ccco3)n2)nc1 ZINC000024865331 557175363 /nfs/dbraw/zinc/17/53/63/557175363.db2.gz DWBAWZYUOQDRFG-UHFFFAOYSA-N 0 0 449.623 5.044 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c2ccccc2n1 ZINC000010965373 557175926 /nfs/dbraw/zinc/17/59/26/557175926.db2.gz SXZFVKGOQSNFTG-UHFFFAOYSA-N 0 0 439.393 5.660 50 0 IKAARN O=C(Cc1csc(-c2ccccn2)n1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024877826 557176334 /nfs/dbraw/zinc/17/63/34/557176334.db2.gz KQTWBLGDIWTCPJ-XMMPIXPASA-N 0 0 425.513 5.400 50 0 IKAARN COC(=O)c1occc1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000024908192 557178367 /nfs/dbraw/zinc/17/83/67/557178367.db2.gz DLZWKBPEVLHEKJ-UHFFFAOYSA-N 0 0 439.924 5.183 50 0 IKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccc(C)cc1Br ZINC000024928509 557180891 /nfs/dbraw/zinc/18/08/91/557180891.db2.gz FOQOFHLFUGUDTF-UHFFFAOYSA-N 0 0 434.384 5.559 50 0 IKAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000024928599 557180933 /nfs/dbraw/zinc/18/09/33/557180933.db2.gz UERDLGNUYKVGLA-UHFFFAOYSA-N 0 0 442.500 5.268 50 0 IKAARN Cc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1-c1ccccc1 ZINC000009095804 557181378 /nfs/dbraw/zinc/18/13/78/557181378.db2.gz JYNCZIYXPCNIEA-UHFFFAOYSA-N 0 0 427.744 5.267 50 0 IKAARN C[C@@H](O)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc([C@@H](C)O)c3)c2)c1 ZINC000000784054 557181474 /nfs/dbraw/zinc/18/14/74/557181474.db2.gz VGFLXUCCRNYIKX-HZPDHXFCSA-N 0 0 434.496 5.081 50 0 IKAARN COc1cc(/C=C/c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc(OC)c1OC ZINC000096194389 557182610 /nfs/dbraw/zinc/18/26/10/557182610.db2.gz MGMATUWTRKBQME-MDZDMXLPSA-N 0 0 448.504 5.104 50 0 IKAARN CC(C)Oc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000096203406 557182843 /nfs/dbraw/zinc/18/28/43/557182843.db2.gz FFBIERGSXWSBMY-UHFFFAOYSA-N 0 0 433.339 5.623 50 0 IKAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)sc1C ZINC000009265132 557183137 /nfs/dbraw/zinc/18/31/37/557183137.db2.gz PTMBHYYPXXPPRK-MRXNPFEDSA-N 0 0 435.578 5.127 50 0 IKAARN CC(=O)N(c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1)c1cccc(Cl)c1 ZINC000097987513 557183885 /nfs/dbraw/zinc/18/38/85/557183885.db2.gz NAVJYDVTIOSQND-YBFXNURJSA-N 0 0 437.908 5.134 50 0 IKAARN CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1cccc(C)c1C ZINC000097987574 557183895 /nfs/dbraw/zinc/18/38/95/557183895.db2.gz JYXLTOXWFXDJGE-CIAFOILYSA-N 0 0 445.544 5.406 50 0 IKAARN COc1ccc(CCCc2nnc(SCc3ccc(Br)cc3)n2C)cc1 ZINC000009261552 557184340 /nfs/dbraw/zinc/18/43/40/557184340.db2.gz DGYSJTPHBIPHFQ-UHFFFAOYSA-N 0 0 432.387 5.054 50 0 IKAARN CCn1c(SCc2ccccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000009306133 557186402 /nfs/dbraw/zinc/18/64/02/557186402.db2.gz OORXVTSEGYSPBH-IBGZPJMESA-N 0 0 428.989 5.371 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000025039669 557189994 /nfs/dbraw/zinc/18/99/94/557189994.db2.gz SFRQEUPERBJNMF-AWEZNQCLSA-N 0 0 447.568 5.398 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000025039663 557190005 /nfs/dbraw/zinc/19/00/05/557190005.db2.gz SFRQEUPERBJNMF-CQSZACIVSA-N 0 0 447.568 5.398 50 0 IKAARN CC(=O)N(c1nc(CN2CCC[C@H]2c2cccn2C)cs1)c1cccc(C(F)(F)F)c1 ZINC000025051681 557191409 /nfs/dbraw/zinc/19/14/09/557191409.db2.gz VKPPLCHCBGNXFY-FQEVSTJZSA-N 0 0 448.514 5.522 50 0 IKAARN CC(=O)N(c1nc(CN2CCC[C@@H]2c2cccn2C)cs1)c1cccc(C(F)(F)F)c1 ZINC000025051675 557191439 /nfs/dbraw/zinc/19/14/39/557191439.db2.gz VKPPLCHCBGNXFY-HXUWFJFHSA-N 0 0 448.514 5.522 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1Cl ZINC000025055795 557192034 /nfs/dbraw/zinc/19/20/34/557192034.db2.gz GEUUBHBNZPHPFE-UHFFFAOYSA-N 0 0 427.917 5.050 50 0 IKAARN CCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1-c1ccccc1 ZINC000009668995 557192538 /nfs/dbraw/zinc/19/25/38/557192538.db2.gz SRIBVOPHLMDTBM-UHFFFAOYSA-N 0 0 444.585 5.751 50 0 IKAARN CCCc1nc(CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cs1 ZINC000025058786 557192728 /nfs/dbraw/zinc/19/27/28/557192728.db2.gz QZRUQNWLUMCIJQ-MRXNPFEDSA-N 0 0 445.633 5.655 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)CC1 ZINC000096281927 557193956 /nfs/dbraw/zinc/19/39/56/557193956.db2.gz FJTWWMAOKVMEDK-GOSISDBHSA-N 0 0 430.980 5.096 50 0 IKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)Nc3cccc(C)c3)cs2)s1 ZINC000096280621 557194002 /nfs/dbraw/zinc/19/40/02/557194002.db2.gz BWGPJRBTROHTGD-UHFFFAOYSA-N 0 0 427.639 6.122 50 0 IKAARN Cc1sc2nc([C@@H](C)SCC(=O)N[C@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C ZINC000025068826 557194244 /nfs/dbraw/zinc/19/42/44/557194244.db2.gz ZWGVGTKPGKUYFD-TZMCWYRMSA-N 0 0 441.578 5.019 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc(Cl)c1 ZINC000000790074 557195046 /nfs/dbraw/zinc/19/50/46/557195046.db2.gz CWQMXIWFYOLXKB-UHFFFAOYSA-N 0 0 432.936 5.590 50 0 IKAARN CCCCCOc1cccc(C(=O)/N=c2\sc3cc(F)ccc3n2CCOCC)c1 ZINC000100873527 557196431 /nfs/dbraw/zinc/19/64/31/557196431.db2.gz FTKJQZPKWMDFEB-BZZOAKBMSA-N 0 0 430.545 5.189 50 0 IKAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC ZINC000010972172 557197228 /nfs/dbraw/zinc/19/72/28/557197228.db2.gz VQBZVTNTXQXOON-UHFFFAOYSA-N 0 0 432.520 5.262 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1cccs1 ZINC000100901982 557199641 /nfs/dbraw/zinc/19/96/41/557199641.db2.gz VTHCPAGNJDAITO-SFHVURJKSA-N 0 0 433.924 5.301 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100914564 557200344 /nfs/dbraw/zinc/20/03/44/557200344.db2.gz FWPXXWJCAFWHHE-ZRBLBEILSA-N 0 0 432.907 5.008 50 0 IKAARN CN(C)[C@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000011563525 557201282 /nfs/dbraw/zinc/20/12/82/557201282.db2.gz BGBAYYPOMIRUOG-JOCHJYFZSA-N 0 0 446.938 5.090 50 0 IKAARN Cc1cc(Cl)ccc1Oc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000025286622 557202809 /nfs/dbraw/zinc/20/28/09/557202809.db2.gz GNMJEFDZGDXZRL-CQSZACIVSA-N 0 0 444.000 5.402 50 0 IKAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000011574421 557203146 /nfs/dbraw/zinc/20/31/46/557203146.db2.gz BEUJWHKEMDXCNA-UHFFFAOYSA-N 0 0 426.520 5.074 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C(C)C)s3)[C@@H]2c2cccs2)cc1 ZINC000025323894 557203915 /nfs/dbraw/zinc/20/39/15/557203915.db2.gz ZTZRDJVYJOUDGD-QFBILLFUSA-N 0 0 440.594 5.154 50 0 IKAARN Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)Nc2ncnc3[nH]cnc32)cc1 ZINC000072238511 557203929 /nfs/dbraw/zinc/20/39/29/557203929.db2.gz DFSPBZUVFMVZLN-UHFFFAOYSA-N 0 0 442.504 5.028 50 0 IKAARN c1ccc(C2=C(c3ccccc3)[C@@H](c3ccccc3)C(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000169555934 557204044 /nfs/dbraw/zinc/20/40/44/557204044.db2.gz ONCRRKVNEMITTH-LQJZCPKCSA-N 0 0 448.609 8.962 50 0 IKAARN O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)Nc1cccc(C(F)(F)F)c1 ZINC000025329468 557204605 /nfs/dbraw/zinc/20/46/05/557204605.db2.gz YNBSDKOFDBHHEN-UHFFFAOYSA-N 0 0 432.471 5.364 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)OCc1csc(-c2ccccc2)n1 ZINC000025390623 557207241 /nfs/dbraw/zinc/20/72/41/557207241.db2.gz DJFHGRGVWZKPAF-UHFFFAOYSA-N 0 0 428.307 5.984 50 0 IKAARN Nc1c(Cl)cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)cc1Cl ZINC000025392384 557207246 /nfs/dbraw/zinc/20/72/46/557207246.db2.gz CAAVWVPFODVUKR-UHFFFAOYSA-N 0 0 449.647 5.686 50 0 IKAARN CCCc1ccc(C(=O)[C@H](C)Sc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000025390740 557207462 /nfs/dbraw/zinc/20/74/62/557207462.db2.gz NNVPQCDIGHMUFL-KRWDZBQOSA-N 0 0 430.577 5.052 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000025396634 557208020 /nfs/dbraw/zinc/20/80/20/557208020.db2.gz WIQROYORNQGELU-QFIPXVFZSA-N 0 0 443.572 5.320 50 0 IKAARN Cc1ccc(/N=c2/scc(-c3ccc(Br)cc3)n2-c2ccc(C)cc2)cc1 ZINC000100030588 557208084 /nfs/dbraw/zinc/20/80/84/557208084.db2.gz KOAXMJOHFHJFDO-WJTDDFOZSA-N 0 0 435.390 6.818 50 0 IKAARN CCc1cccc2c(C(=O)[C@H](Sc3nc(C)c(CC(N)=O)s3)c3ccccc3)c[nH]c21 ZINC000024902084 557209334 /nfs/dbraw/zinc/20/93/34/557209334.db2.gz BNGNVIYNKVEJKQ-HSZRJFAPSA-N 0 0 449.601 5.239 50 0 IKAARN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc(Br)cc1 ZINC000025431165 557209610 /nfs/dbraw/zinc/20/96/10/557209610.db2.gz FZKVFXQLKOBOFS-UHFFFAOYSA-N 0 0 426.236 5.150 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)sc1C ZINC000011614257 557210311 /nfs/dbraw/zinc/21/03/11/557210311.db2.gz JEQKCRXMZKGMLZ-SFHVURJKSA-N 0 0 440.883 5.409 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCN(C(=O)c5ccco5)C4)cc3)sc2c1 ZINC000025454348 557210457 /nfs/dbraw/zinc/21/04/57/557210457.db2.gz YAVMQDWFTJOIHZ-GOSISDBHSA-N 0 0 445.544 5.356 50 0 IKAARN Cc1ccccc1-n1c(S[C@H]2CCCCNC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000010990165 557211792 /nfs/dbraw/zinc/21/17/92/557211792.db2.gz AZRMGMMVNBUFDG-SFHVURJKSA-N 0 0 447.391 5.310 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(Br)c1 ZINC000011617075 557211999 /nfs/dbraw/zinc/21/19/99/557211999.db2.gz WTHPPNMCTOWGQL-UHFFFAOYSA-N 0 0 425.307 5.684 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000023311190 557212022 /nfs/dbraw/zinc/21/20/22/557212022.db2.gz GLALAAODXCSEHB-UHFFFAOYSA-N 0 0 438.398 7.145 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)c(OC)c1 ZINC000000797636 557212922 /nfs/dbraw/zinc/21/29/22/557212922.db2.gz CDCNAKWYNBPQQX-HHHXNRCGSA-N 0 0 439.596 5.360 50 0 biogenic IKAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000797718 557212928 /nfs/dbraw/zinc/21/29/28/557212928.db2.gz NNMLYVIUWAVSOI-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000000797720 557212935 /nfs/dbraw/zinc/21/29/35/557212935.db2.gz FRWVCFQOERZGLQ-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000011617250 557212913 /nfs/dbraw/zinc/21/29/13/557212913.db2.gz QDYVRXLVKBTAMG-UHFFFAOYSA-N 0 0 441.339 7.162 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000011617275 557212965 /nfs/dbraw/zinc/21/29/65/557212965.db2.gz ZVWKSVWKOBAXJS-UHFFFAOYSA-N 0 0 429.364 5.969 50 0 IKAARN CC(C)[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558665 557214003 /nfs/dbraw/zinc/21/40/03/557214003.db2.gz VHCLBAZIBDWCQJ-HKUYNNGSSA-N 0 0 440.168 6.282 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2Br)cc1 ZINC000025558645 557214151 /nfs/dbraw/zinc/21/41/51/557214151.db2.gz HRIQKYSYHRQYIC-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025558768 557214370 /nfs/dbraw/zinc/21/43/70/557214370.db2.gz ISSZIJHQYGATBM-VWNXMTODSA-N 0 0 449.348 6.090 50 0 IKAARN FC(F)(F)c1ccc(Cl)c(-c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1 ZINC000025560504 557214729 /nfs/dbraw/zinc/21/47/29/557214729.db2.gz IPRGHDMSKUERQD-UHFFFAOYSA-N 0 0 425.155 7.958 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000025559820 557214752 /nfs/dbraw/zinc/21/47/52/557214752.db2.gz ZQLZSUTVFARGDZ-DYESRHJHSA-N 0 0 425.282 5.293 50 0 IKAARN COC(=O)c1ccc(COc2cc(O)c3c(c2)/C=C/CCCCCCC[C@@H](C)OC3=O)o1 ZINC000025560661 557214852 /nfs/dbraw/zinc/21/48/52/557214852.db2.gz MZHMBLHEBPTICT-QXLXQBSBSA-N 0 0 442.508 5.654 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000025559813 557214866 /nfs/dbraw/zinc/21/48/66/557214866.db2.gz ZQLZSUTVFARGDZ-LAUBAEHRSA-N 0 0 425.282 5.293 50 0 IKAARN Clc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000025575468 557215380 /nfs/dbraw/zinc/21/53/80/557215380.db2.gz LJSOACZAHXWTPC-PKTZIBPZSA-N 0 0 447.325 5.798 50 0 IKAARN Cc1ccc(NC(=O)OC[C@@H](COc2ccccc2C)OC(=O)Nc2ccc(C)cc2)cc1 ZINC000025575071 557215435 /nfs/dbraw/zinc/21/54/35/557215435.db2.gz JXVVANZVQFXXMP-HSZRJFAPSA-N 0 0 448.519 5.857 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3cccs3)n2-c2ccccc2)cc1 ZINC000025579807 557215908 /nfs/dbraw/zinc/21/59/08/557215908.db2.gz HKVIDCTVKZYPBD-UHFFFAOYSA-N 0 0 433.602 6.268 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1OC ZINC000025579313 557215971 /nfs/dbraw/zinc/21/59/71/557215971.db2.gz KTJAFMQHTUOKDH-SQJMNOBHSA-N 0 0 434.923 5.908 50 0 IKAARN Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 ZINC000025579891 557215980 /nfs/dbraw/zinc/21/59/80/557215980.db2.gz OHYSHEIEEVNTGR-UHFFFAOYSA-N 0 0 446.597 5.609 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025579249 557216004 /nfs/dbraw/zinc/21/60/04/557216004.db2.gz OYYOSRCXTNKSGT-GJZUVCINSA-N 0 0 430.504 5.345 50 0 IKAARN O=P(Nc1ccccc1Cl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000025579631 557216075 /nfs/dbraw/zinc/21/60/75/557216075.db2.gz JGNSABADASKMFC-UHFFFAOYSA-N 0 0 428.639 7.325 50 0 IKAARN COc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000025581474 557216276 /nfs/dbraw/zinc/21/62/76/557216276.db2.gz FQJQRHZXOKZFGR-NZQKXSOJSA-N 0 0 425.315 6.244 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc(-c3ccc(C)cc3)cc12 ZINC000025580624 557216359 /nfs/dbraw/zinc/21/63/59/557216359.db2.gz MMFHOZHVOJWPAN-UHFFFAOYSA-N 0 0 434.495 5.871 50 0 IKAARN CCc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000025582083 557216662 /nfs/dbraw/zinc/21/66/62/557216662.db2.gz RDFUGQISSOZDLX-LADGPHEKSA-N 0 0 439.397 6.461 50 0 IKAARN CCc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000025582062 557216666 /nfs/dbraw/zinc/21/66/66/557216666.db2.gz YLCOTQZXGPXGPW-SIKLNZKXSA-N 0 0 439.378 6.315 50 0 IKAARN CCc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000025582067 557216693 /nfs/dbraw/zinc/21/66/93/557216693.db2.gz YLCOTQZXGPXGPW-DENIHFKCSA-N 0 0 439.378 6.315 50 0 IKAARN CCc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000025582105 557216723 /nfs/dbraw/zinc/21/67/23/557216723.db2.gz SHHLEVRNEZZXGT-UKILVPOCSA-N 0 0 447.376 6.562 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000025582873 557216960 /nfs/dbraw/zinc/21/69/60/557216960.db2.gz GYYYAKLPCFPAHB-IFMALSPDSA-N 0 0 441.275 5.970 50 0 IKAARN COc1ccc(OC)c([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000025582535 557216979 /nfs/dbraw/zinc/21/69/79/557216979.db2.gz WBHGVAHFPLCIMJ-XUZZJYLKSA-N 0 0 438.886 5.739 50 0 IKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(OC)c1OC)O2 ZINC000025582913 557217013 /nfs/dbraw/zinc/21/70/13/557217013.db2.gz YOBSMYXMJKDADT-GJZUVCINSA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000025582717 557217017 /nfs/dbraw/zinc/21/70/17/557217017.db2.gz YCTWYGIHODUDOI-QPPBQGQZSA-N 0 0 449.348 6.008 50 0 IKAARN COc1ccc(-c2c3c(N)c(C(=O)c4ccc(C)cc4)sc3nc(C)c2C(C)=O)cc1 ZINC000034651720 557217677 /nfs/dbraw/zinc/21/76/77/557217677.db2.gz KLIGQCRWUGLGBE-UHFFFAOYSA-N 0 0 430.529 5.605 50 0 IKAARN Brc1ccc(Nc2cc(-c3ccc4ccccc4n3)nc3ccccc32)cc1 ZINC000008397678 557218938 /nfs/dbraw/zinc/21/89/38/557218938.db2.gz NFQAOKVOZDNSTK-UHFFFAOYSA-N 0 0 426.317 6.956 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cc(Br)ccc3F)C12 ZINC000101060449 557218953 /nfs/dbraw/zinc/21/89/53/557218953.db2.gz RFDSFQKMKPWWDY-JOCHJYFZSA-N 0 0 438.321 6.839 50 0 IKAARN COc1ccc(-c2ccc(CCC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)o2)cc1 ZINC000025617210 557219579 /nfs/dbraw/zinc/21/95/79/557219579.db2.gz VPEHYDDKISMZJJ-QFIPXVFZSA-N 0 0 435.520 5.269 50 0 IKAARN CCOC(=O)CCCCc1ccc(Cc2ccc(C(=O)CCCCC(=O)OC)cc2)cc1 ZINC000025691691 557221988 /nfs/dbraw/zinc/22/19/88/557221988.db2.gz YXLYKZAAUGMHMW-UHFFFAOYSA-N 0 0 438.564 5.469 50 0 IKAARN COC(=O)c1cc2ccc1CCCCCCc1ccc(cc1C(=O)OC)CCCCCC2 ZINC000025692491 557222318 /nfs/dbraw/zinc/22/23/18/557222318.db2.gz NATFJQXFULUBFY-UHFFFAOYSA-N 0 0 436.592 6.264 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000010587029 557223444 /nfs/dbraw/zinc/22/34/44/557223444.db2.gz JRCKSCYHDROZOC-AWEZNQCLSA-N 0 0 444.581 7.148 50 0 IKAARN CCc1ccc2nc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)sc2c1 ZINC000025746856 557223878 /nfs/dbraw/zinc/22/38/78/557223878.db2.gz FHXHGSKSYOSQFO-UHFFFAOYSA-N 0 0 434.487 5.128 50 0 IKAARN CC(C)CCC[C@@H](C)CCOc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000025758118 557224449 /nfs/dbraw/zinc/22/44/49/557224449.db2.gz JMACLBZCZVVLDQ-DNQXCXABSA-N 0 0 446.672 7.774 50 0 IKAARN CC(C)CCC[C@@H](C)CCOc1cc(C=O)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000025758110 557224528 /nfs/dbraw/zinc/22/45/28/557224528.db2.gz JMACLBZCZVVLDQ-PSWAGMNNSA-N 0 0 446.672 7.774 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)c1 ZINC000010013887 557224928 /nfs/dbraw/zinc/22/49/28/557224928.db2.gz FLXFBFNREGXXAL-UHFFFAOYSA-N 0 0 433.480 6.187 50 0 IKAARN CC(C)c1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000101071641 557225235 /nfs/dbraw/zinc/22/52/35/557225235.db2.gz UAKROZGRBNIJIQ-XMMPIXPASA-N 0 0 444.376 6.978 50 0 IKAARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Br)cc1 ZINC000101071536 557225253 /nfs/dbraw/zinc/22/52/53/557225253.db2.gz FYUDAFDQNSJSPT-GOSISDBHSA-N 0 0 436.309 5.554 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)c1 ZINC000025782313 557225830 /nfs/dbraw/zinc/22/58/30/557225830.db2.gz SUCUEGGCGSMLNP-JTHBVZDNSA-N 0 0 435.321 5.700 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783741 557226061 /nfs/dbraw/zinc/22/60/61/557226061.db2.gz YKVKICAZLCIFEB-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN CC(=O)N(c1nc(CSc2nc3ccccc3o2)cs1)c1cccc(C(F)(F)F)c1 ZINC000010962794 557226117 /nfs/dbraw/zinc/22/61/17/557226117.db2.gz SAMMAEGGJOEDHD-UHFFFAOYSA-N 0 0 449.479 6.280 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783703 557226225 /nfs/dbraw/zinc/22/62/25/557226225.db2.gz GFGLNWAAFCFTFI-RPWUZVMVSA-N 0 0 426.907 5.453 50 0 IKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)c1 ZINC000025783899 557226427 /nfs/dbraw/zinc/22/64/27/557226427.db2.gz DULQRBLQAKSTLV-SFTDATJTSA-N 0 0 436.899 5.345 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000101076911 557226399 /nfs/dbraw/zinc/22/63/99/557226399.db2.gz CZUDJILWSYVQCR-ZRBLBEILSA-N 0 0 432.907 5.008 50 0 IKAARN CC(=O)c1ccc(N(Cc2cccc3cccnc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000025806596 557227158 /nfs/dbraw/zinc/22/71/58/557227158.db2.gz KMVCYCALFMANAE-UHFFFAOYSA-N 0 0 430.529 5.141 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)n2C)cc1 ZINC000011152964 557227368 /nfs/dbraw/zinc/22/73/68/557227368.db2.gz LQGPOUSACAFRPT-UHFFFAOYSA-N 0 0 442.588 5.131 50 0 IKAARN O=C(Cc1csc(-c2ccco2)n1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025852005 557228872 /nfs/dbraw/zinc/22/88/72/557228872.db2.gz WQMLTXSGMVGCFB-FQEVSTJZSA-N 0 0 427.529 5.375 50 0 IKAARN C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000011443867 557229021 /nfs/dbraw/zinc/22/90/21/557229021.db2.gz VNFCRFNUNUFMLH-MRVPVSSYSA-N 0 0 430.259 5.670 50 0 IKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025899647 557229724 /nfs/dbraw/zinc/22/97/24/557229724.db2.gz ZJELGTUFRPLFTO-HSZRJFAPSA-N 0 0 436.964 5.316 50 0 IKAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000025918822 557230279 /nfs/dbraw/zinc/23/02/79/557230279.db2.gz FSKGHZHBMQWWIR-QGZVFWFLSA-N 0 0 439.544 5.377 50 0 IKAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018033228 557231004 /nfs/dbraw/zinc/23/10/04/557231004.db2.gz SBXXZWYDZDXGMP-CYXNTTPDSA-N 0 0 434.495 5.199 50 0 IKAARN O=C(NCCCc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023318545 557231333 /nfs/dbraw/zinc/23/13/33/557231333.db2.gz QWOAKHXAFXVLAM-SANMLTNESA-N 0 0 448.010 5.389 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025985982 557231593 /nfs/dbraw/zinc/23/15/93/557231593.db2.gz WEMULAHZBHLYJH-UHFFFAOYSA-N 0 0 441.453 5.748 50 0 IKAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)no1 ZINC000026016148 557232244 /nfs/dbraw/zinc/23/22/44/557232244.db2.gz QVJMGIUOMSNGPW-UHFFFAOYSA-N 0 0 435.867 5.655 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C ZINC000026045093 557232534 /nfs/dbraw/zinc/23/25/34/557232534.db2.gz HIYHRUCHSMOXCV-UHFFFAOYSA-N 0 0 440.952 5.169 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl ZINC000098072707 557233042 /nfs/dbraw/zinc/23/30/42/557233042.db2.gz PVWGNVGGWKLFSS-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072740 557233056 /nfs/dbraw/zinc/23/30/56/557233056.db2.gz CBTMYWQUXRTCHW-UHFFFAOYSA-N 0 0 448.182 5.288 50 0 IKAARN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072805 557233072 /nfs/dbraw/zinc/23/30/72/557233072.db2.gz FCIXXCGJKNDYQJ-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072902 557233163 /nfs/dbraw/zinc/23/31/63/557233163.db2.gz GDHARMLZVNCLFL-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN Cc1cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1Cl ZINC000098072942 557233211 /nfs/dbraw/zinc/23/32/11/557233211.db2.gz AYMGZWNMQKULSB-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(Br)cc1F)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073326 557233725 /nfs/dbraw/zinc/23/37/25/557233725.db2.gz IXQGTGOOBMTDFD-CQSZACIVSA-N 0 0 426.285 5.561 50 0 IKAARN CCc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000018059883 557233940 /nfs/dbraw/zinc/23/39/40/557233940.db2.gz YZORGGDPVBBSOO-VXNXHJTFSA-N 0 0 446.934 5.262 50 0 IKAARN O=C(Cc1c[nH]c2ccccc12)Nc1nc(COc2ccc(Cl)cc2Cl)cs1 ZINC000026132021 557236174 /nfs/dbraw/zinc/23/61/74/557236174.db2.gz PZUBRGOTOBYJRL-UHFFFAOYSA-N 0 0 432.332 5.691 50 0 IKAARN CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000018105453 557237234 /nfs/dbraw/zinc/23/72/34/557237234.db2.gz UXUHKBAGZLSJRR-FQEVSTJZSA-N 0 0 430.548 6.596 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000032950889 557238049 /nfs/dbraw/zinc/23/80/49/557238049.db2.gz WZFVAGRQXYSGOO-UHFFFAOYSA-N 0 0 442.519 5.010 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccccc2Br)cc1 ZINC000032950880 557238099 /nfs/dbraw/zinc/23/80/99/557238099.db2.gz QZFWBCLASBXVKS-UHFFFAOYSA-N 0 0 449.352 5.596 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)Nc2ncc(Cc3cccc(C)c3)s2)no1 ZINC000026384729 557240201 /nfs/dbraw/zinc/24/02/01/557240201.db2.gz PPQVZHLWCSDXBD-UHFFFAOYSA-N 0 0 436.562 5.278 50 0 IKAARN CCOCCCn1c(=O)c2c(nc1SCc1ccc(C)cc1)c(-c1ccccc1)cn2C ZINC000032951156 557241062 /nfs/dbraw/zinc/24/10/62/557241062.db2.gz VSQQXNGRCHPUPD-UHFFFAOYSA-N 0 0 447.604 5.429 50 0 IKAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000018125054 557241470 /nfs/dbraw/zinc/24/14/70/557241470.db2.gz YUGKFMIYXGYIOD-OAHLLOKOSA-N 0 0 446.931 5.113 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SC/C=C/c3ccccc3)[C@H]2C2=C1CCC2 ZINC000026464474 557241915 /nfs/dbraw/zinc/24/19/15/557241915.db2.gz PWVPWAURTPDLKF-QPVULVGDSA-N 0 0 433.646 6.923 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCC(OCC)OCC)[C@@H]2C2=C1CCC2 ZINC000026464493 557241972 /nfs/dbraw/zinc/24/19/72/557241972.db2.gz PKGPRHGUZIZZME-RXVVDRJESA-N 0 0 433.643 5.609 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCC(OCC)OCC)[C@@H]2C2=C1CCC2 ZINC000026464487 557242002 /nfs/dbraw/zinc/24/20/02/557242002.db2.gz PKGPRHGUZIZZME-GHTZIAJQSA-N 0 0 433.643 5.609 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCC(OCC)OCC)[C@H]2C2=C1CCC2 ZINC000026464498 557242004 /nfs/dbraw/zinc/24/20/04/557242004.db2.gz PKGPRHGUZIZZME-WIYYLYMNSA-N 0 0 433.643 5.609 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccs1 ZINC000100141914 557242574 /nfs/dbraw/zinc/24/25/74/557242574.db2.gz OKEJNLLYRTVSRU-DEOSSOPVSA-N 0 0 428.557 6.854 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000026496331 557242604 /nfs/dbraw/zinc/24/26/04/557242604.db2.gz UUWMUCVFFZGBSE-SFHVURJKSA-N 0 0 438.833 5.184 50 0 IKAARN CCCOc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 ZINC000026532171 557243217 /nfs/dbraw/zinc/24/32/17/557243217.db2.gz AGFFUPHVCSAVMO-PTGBLXJZSA-N 0 0 438.552 5.427 50 0 IKAARN COc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)s2)cc1 ZINC000032951308 557244192 /nfs/dbraw/zinc/24/41/92/557244192.db2.gz VCAYGNMZMDZUKP-UHFFFAOYSA-N 0 0 434.605 5.684 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc(-c4cccc(Br)c4)o3)co2)cc1 ZINC000026548765 557244437 /nfs/dbraw/zinc/24/44/37/557244437.db2.gz SOPFLFNUKCXKHA-UHFFFAOYSA-N 0 0 432.274 5.586 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Sc3ccc(C)cc3)nn2)C1 ZINC000032951479 557244461 /nfs/dbraw/zinc/24/44/61/557244461.db2.gz MZKUTBRTYWFJET-HXUWFJFHSA-N 0 0 432.593 5.354 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000018176673 557245671 /nfs/dbraw/zinc/24/56/71/557245671.db2.gz DDUHKKURHPYXNT-UHFFFAOYSA-N 0 0 425.872 5.254 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023321906 557246077 /nfs/dbraw/zinc/24/60/77/557246077.db2.gz PZGOXKFOHYIBBE-DEOSSOPVSA-N 0 0 437.946 5.096 50 0 IKAARN O=C(c1cn(CCOc2ccccc2F)c2ccc(Br)cc12)C(F)(F)F ZINC000018190468 557246326 /nfs/dbraw/zinc/24/63/26/557246326.db2.gz OOQCQZZKAAYLEU-UHFFFAOYSA-N 0 0 430.195 5.367 50 0 IKAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1-c1ccccc1 ZINC000018184265 557246672 /nfs/dbraw/zinc/24/66/72/557246672.db2.gz SFYBJVMJNMHDPC-UHFFFAOYSA-N 0 0 429.545 5.033 50 0 IKAARN Cc1noc(CSc2ccccc2C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000026690527 557246786 /nfs/dbraw/zinc/24/67/86/557246786.db2.gz GYMPTTLIMBZMOO-UHFFFAOYSA-N 0 0 430.533 5.081 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000018193020 557247014 /nfs/dbraw/zinc/24/70/14/557247014.db2.gz UCDDNYAFCADCHE-UHFFFAOYSA-N 0 0 448.309 7.049 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000018194098 557247216 /nfs/dbraw/zinc/24/72/16/557247216.db2.gz ZNZDACBDWWJONT-UHFFFAOYSA-N 0 0 442.544 5.229 50 0 IKAARN CC(C)(C)c1cc(CCc2nnc(SCc3ccc(F)cc3)o2)cc(C(C)(C)C)c1O ZINC000018194008 557247279 /nfs/dbraw/zinc/24/72/79/557247279.db2.gz GTKNWLDZQOYGNJ-UHFFFAOYSA-N 0 0 442.600 6.587 50 0 IKAARN O=C(c1ccccc1)c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1 ZINC000018194481 557247307 /nfs/dbraw/zinc/24/73/07/557247307.db2.gz OTPCEXVDHUCRCG-UHFFFAOYSA-N 0 0 439.518 7.123 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)N1c2ccccc2Sc2ccccc21)CCCCC3 ZINC000018195380 557247632 /nfs/dbraw/zinc/24/76/32/557247632.db2.gz RITMANFDVNQWBR-UHFFFAOYSA-N 0 0 443.597 6.591 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)CC1 ZINC000026795388 557249205 /nfs/dbraw/zinc/24/92/05/557249205.db2.gz NEWVICPNHKNCGD-VWLOTQADSA-N 0 0 434.624 5.658 50 0 IKAARN COc1ccc(Cl)cc1C(=O)N1CCN([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000072265269 557250470 /nfs/dbraw/zinc/25/04/70/557250470.db2.gz XKYMLGBFFVIOKD-AREMUKBSSA-N 0 0 448.994 5.513 50 0 IKAARN COc1c2c(cc3c1[C@H](CC(=O)c1ccc(-c4ccc(Cl)cc4)o1)N(C)CC3)OCO2 ZINC000026921246 557251267 /nfs/dbraw/zinc/25/12/67/557251267.db2.gz AAIORRSUGSIROQ-KRWDZBQOSA-N 0 0 439.895 5.139 50 0 IKAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2Br)cc1 ZINC000026926683 557251739 /nfs/dbraw/zinc/25/17/39/557251739.db2.gz GAYDIZDBJJRGMA-UHFFFAOYSA-N 0 0 439.353 5.137 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N(C)c3nc4ccccc4s3)c2oc1-c1ccccc1 ZINC000026959119 557252156 /nfs/dbraw/zinc/25/21/56/557252156.db2.gz VJHBFERYVLQQAD-UHFFFAOYSA-N 0 0 426.497 5.655 50 0 IKAARN Cn1c(=O)c2sc(=S)n(-c3ccc(Cl)cc3)c2nc1SCc1ccccc1F ZINC000032952771 557252452 /nfs/dbraw/zinc/25/24/52/557252452.db2.gz IHZLKWWBYSFXLS-UHFFFAOYSA-N 0 0 449.985 5.600 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4ccccc4F)n(C)c(=O)c3sc2=S)cc1 ZINC000032952654 557253235 /nfs/dbraw/zinc/25/32/35/557253235.db2.gz UWBJMTQGMSCEEQ-UHFFFAOYSA-N 0 0 429.567 5.255 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000101095113 557253896 /nfs/dbraw/zinc/25/38/96/557253896.db2.gz DLKQKDZMOBXHFP-UHFFFAOYSA-N 0 0 440.565 5.264 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000027015802 557253948 /nfs/dbraw/zinc/25/39/48/557253948.db2.gz IFWQEPZBUQMECD-YVWKXTFCSA-N 0 0 435.326 5.154 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C(C)(C)C)cc1 ZINC000027019781 557254951 /nfs/dbraw/zinc/25/49/51/557254951.db2.gz HHDPOQNHDXCRPR-GYHWCHFESA-N 0 0 443.638 5.235 50 0 IKAARN CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)c(OC)c1)c1ccc3ccccc3c1O2 ZINC000101111932 557255968 /nfs/dbraw/zinc/25/59/68/557255968.db2.gz DOWXFBCQAPJDAG-QHCPKHFHSA-N 0 0 441.531 5.619 50 0 IKAARN N=c1c2c(ncn1CCCn1ccnc1)Oc1c3ccccc3ccc1[C@H]2c1ccccc1 ZINC000101116821 557256795 /nfs/dbraw/zinc/25/67/95/557256795.db2.gz LVYZNNTWFBQIKS-HSZRJFAPSA-N 0 0 433.515 5.088 50 0 IKAARN COc1ccc(-c2oc3ncn(Cc4ccccc4)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000100306426 557257387 /nfs/dbraw/zinc/25/73/87/557257387.db2.gz NLQYPKZRMQGWRA-UHFFFAOYSA-N 0 0 437.499 5.508 50 0 IKAARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000100426884 557260779 /nfs/dbraw/zinc/26/07/79/557260779.db2.gz GEBFSSNLCIRKTA-DWXRJYCRSA-N 0 0 430.935 6.978 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100426165 557260814 /nfs/dbraw/zinc/26/08/14/557260814.db2.gz JLKBRYAXGXRAFH-QYBDOPJKSA-N 0 0 430.935 6.978 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100429371 557261157 /nfs/dbraw/zinc/26/11/57/557261157.db2.gz YQRBNQVNMVZFGP-XHCCPWGMSA-N 0 0 426.516 6.333 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000012843194 557262416 /nfs/dbraw/zinc/26/24/16/557262416.db2.gz JEWYQKGIJXVOFK-UHFFFAOYSA-N 0 0 449.557 5.113 50 0 IKAARN COc1cccc(NCc2nnc(SCc3nccn3C(C)C)n2C2CCCCC2)c1 ZINC000072270489 557263164 /nfs/dbraw/zinc/26/31/64/557263164.db2.gz PZTAGNJJFQRZDD-UHFFFAOYSA-N 0 0 440.617 5.474 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)N2CCCC2)cc1 ZINC000027546890 557264717 /nfs/dbraw/zinc/26/47/17/557264717.db2.gz UMADYBDOGYTTOA-MUUNZHRXSA-N 0 0 449.554 5.311 50 0 IKAARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 ZINC000101253864 557265128 /nfs/dbraw/zinc/26/51/28/557265128.db2.gz SEPGHCCRPAHPBO-ZRBLBEILSA-N 0 0 432.907 5.008 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCCSc1ccc(C)c(C)c1 ZINC000027576162 557266145 /nfs/dbraw/zinc/26/61/45/557266145.db2.gz SMPPXYBEWLEJQL-UHFFFAOYSA-N 0 0 427.595 5.118 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)on4)cc3)sc2c1 ZINC000027579820 557266404 /nfs/dbraw/zinc/26/64/04/557266404.db2.gz RSKQMGULJUALRH-UHFFFAOYSA-N 0 0 445.931 6.832 50 0 IKAARN CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000027585009 557266834 /nfs/dbraw/zinc/26/68/34/557266834.db2.gz QXVANAMMQIAAIN-UHFFFAOYSA-N 0 0 433.515 6.074 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000000822862 557268578 /nfs/dbraw/zinc/26/85/78/557268578.db2.gz MLJHTDLSPKNLND-GZTJUZNOSA-N 0 0 425.893 5.334 50 0 IKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCc1cc(=O)n2ccc(C)cc2n1 ZINC000011021847 557268632 /nfs/dbraw/zinc/26/86/32/557268632.db2.gz MIFROTPYCWLFSZ-UHFFFAOYSA-N 0 0 432.471 5.074 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@]32CCCC(=O)C2)cc1 ZINC000100670828 557269114 /nfs/dbraw/zinc/26/91/14/557269114.db2.gz KUPWZHCHUWAHLW-IFMALSPDSA-N 0 0 425.326 5.623 50 0 IKAARN O=C(Nc1ccc2ccccc2c1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000027664160 557270281 /nfs/dbraw/zinc/27/02/81/557270281.db2.gz CNFQFDUYZXQBMD-UHFFFAOYSA-N 0 0 440.355 6.481 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1Br)O2 ZINC000100702446 557270464 /nfs/dbraw/zinc/27/04/64/557270464.db2.gz UDAWBTGUIFEASQ-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN O=C(c1ccccc1)C(C(=O)c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000100697887 557270512 /nfs/dbraw/zinc/27/05/12/557270512.db2.gz QPKVOOSJCFCEGP-UHFFFAOYSA-N 0 0 446.502 5.750 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000100702607 557270547 /nfs/dbraw/zinc/27/05/47/557270547.db2.gz BIBZJKGBOKQILM-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000826717 557270623 /nfs/dbraw/zinc/27/06/23/557270623.db2.gz BXVBOGMTNIOMQA-UHFFFAOYSA-N 0 0 435.321 6.190 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827119 557270755 /nfs/dbraw/zinc/27/07/55/557270755.db2.gz JETYIUIPKZJGNM-UHFFFAOYSA-N 0 0 441.196 5.567 50 0 IKAARN CC1(C)CC(=O)C[C@]2(C1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000100720637 557271107 /nfs/dbraw/zinc/27/11/07/557271107.db2.gz UYTFVWTXOWFVPB-DYESRHJHSA-N 0 0 429.314 5.544 50 0 IKAARN CC1(C)CC(=O)C[C@@]2(C1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000100720635 557271149 /nfs/dbraw/zinc/27/11/49/557271149.db2.gz UYTFVWTXOWFVPB-UTKZUKDTSA-N 0 0 429.314 5.544 50 0 IKAARN O=C(CCC(=O)[C@@H](C(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000100721455 557271191 /nfs/dbraw/zinc/27/11/91/557271191.db2.gz MVPAKGDNDXQWHM-QHCPKHFHSA-N 0 0 439.433 5.660 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC(C)=O ZINC000100722129 557271371 /nfs/dbraw/zinc/27/13/71/557271371.db2.gz LXTWOAHIKXFPNF-QHCPKHFHSA-N 0 0 436.508 5.501 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC(C)=O ZINC000100722126 557271397 /nfs/dbraw/zinc/27/13/97/557271397.db2.gz LXTWOAHIKXFPNF-HSZRJFAPSA-N 0 0 436.508 5.501 50 0 IKAARN C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000027692415 557271652 /nfs/dbraw/zinc/27/16/52/557271652.db2.gz OGGAQQHOIPGHLV-HNNXBMFYSA-N 0 0 432.501 5.340 50 0 IKAARN COc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000027742234 557271878 /nfs/dbraw/zinc/27/18/78/557271878.db2.gz RPUJAKAWFOOSPM-FQEVSTJZSA-N 0 0 449.348 5.501 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cccc(Br)c1 ZINC000027735029 557271899 /nfs/dbraw/zinc/27/18/99/557271899.db2.gz YJLWXOMYGNZLAU-GFCCVEGCSA-N 0 0 435.268 5.192 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1c(F)cccc1F ZINC000003189856 557271999 /nfs/dbraw/zinc/27/19/99/557271999.db2.gz NFAFIZPYKBKSQA-UHFFFAOYSA-N 0 0 426.513 6.434 50 0 IKAARN Cc1ccc2nc(NC(=O)c3nc(SCc4ccccc4)ncc3Cl)sc2c1 ZINC000027742742 557272269 /nfs/dbraw/zinc/27/22/69/557272269.db2.gz PDMHSPYQICNVHD-UHFFFAOYSA-N 0 0 426.954 5.593 50 0 IKAARN COc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(Br)cc2)c1 ZINC000027742471 557272286 /nfs/dbraw/zinc/27/22/86/557272286.db2.gz ARVKENLIDHERSV-NRFANRHFSA-N 0 0 449.348 5.501 50 0 IKAARN COc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(Br)cc2)cc1 ZINC000027742264 557272315 /nfs/dbraw/zinc/27/23/15/557272315.db2.gz MUFCNKKBDKROBV-OAQYLSRUSA-N 0 0 449.348 5.501 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746334 557272787 /nfs/dbraw/zinc/27/27/87/557272787.db2.gz IGMWCLIBZSDCJI-XMMPIXPASA-N 0 0 428.532 5.120 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746261 557272794 /nfs/dbraw/zinc/27/27/94/557272794.db2.gz YQTJHWKXMUROMK-XMMPIXPASA-N 0 0 428.532 5.120 50 0 IKAARN COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746134 557272816 /nfs/dbraw/zinc/27/28/16/557272816.db2.gz UOUDBTVFMAZIHJ-HXUWFJFHSA-N 0 0 434.923 5.400 50 0 IKAARN CCc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027746162 557272831 /nfs/dbraw/zinc/27/28/31/557272831.db2.gz UCYBTDCBORVKLB-XMMPIXPASA-N 0 0 428.532 5.066 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027746178 557272837 /nfs/dbraw/zinc/27/28/37/557272837.db2.gz DGKOPJBPEIXTBA-VWLOTQADSA-N 0 0 442.559 5.627 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2ccccc2Br)c2c[nH]c3ccccc32)cc1 ZINC000027746127 557272847 /nfs/dbraw/zinc/27/28/47/557272847.db2.gz JKSQNHAUMGNWQN-FQEVSTJZSA-N 0 0 449.348 5.501 50 0 IKAARN CCOC(=O)c1ccc2nc(NC(=O)c3sc4cc(F)ccc4c3Cl)sc2c1 ZINC000027748130 557272890 /nfs/dbraw/zinc/27/28/90/557272890.db2.gz WFBZFBKFEDEXNF-UHFFFAOYSA-N 0 0 434.901 5.733 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3OC)n2CCc2ccccc2)n1 ZINC000027764385 557273493 /nfs/dbraw/zinc/27/34/93/557273493.db2.gz YTFONJNEFNQUAO-QGZVFWFLSA-N 0 0 449.580 5.385 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)CC1=O ZINC000027792453 557273692 /nfs/dbraw/zinc/27/36/92/557273692.db2.gz GTSWDXPIBAMHDE-FQEVSTJZSA-N 0 0 433.596 5.529 50 0 IKAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(OC)cc3)CC2=O)cc1 ZINC000027792781 557274136 /nfs/dbraw/zinc/27/41/36/557274136.db2.gz WHMVREDAKHGZAR-NRFANRHFSA-N 0 0 425.532 5.176 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3Cl)CC2=O)cc1 ZINC000027792715 557274193 /nfs/dbraw/zinc/27/41/93/557274193.db2.gz TXKYSAUYXNECMA-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN CCn1c(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs/c1=N/c1ccccc1 ZINC000101336833 557274335 /nfs/dbraw/zinc/27/43/35/557274335.db2.gz LKWGGXYNUDFHPC-WCWDXBQESA-N 0 0 441.622 5.034 50 0 IKAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)c2ccccn2)cc1 ZINC000027794535 557274722 /nfs/dbraw/zinc/27/47/22/557274722.db2.gz XYDZKMMQEPAITN-UHFFFAOYSA-N 0 0 449.304 5.106 50 0 IKAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000027794273 557274829 /nfs/dbraw/zinc/27/48/29/557274829.db2.gz QOQLWOSCZCDSCA-UHFFFAOYSA-N 0 0 428.311 5.583 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027794278 557274851 /nfs/dbraw/zinc/27/48/51/557274851.db2.gz IQXJUASVLCNHFW-HXUWFJFHSA-N 0 0 428.919 6.438 50 0 IKAARN C[C@@H](OC(=O)/C=C/c1cccc(Cl)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013072461 557274948 /nfs/dbraw/zinc/27/49/48/557274948.db2.gz VMAKWNUPHIGSDL-FZKGZDJFSA-N 0 0 448.878 5.325 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000101354162 557275113 /nfs/dbraw/zinc/27/51/13/557275113.db2.gz RZYYEBIBKOZUBT-UHFFFAOYSA-N 0 0 437.421 5.202 50 0 IKAARN Cc1ccccc1C(=O)O[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1 ZINC000100785723 557276271 /nfs/dbraw/zinc/27/62/71/557276271.db2.gz BLEXJRRHKCGDJC-XMMPIXPASA-N 0 0 435.863 5.390 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000101373522 557276350 /nfs/dbraw/zinc/27/63/50/557276350.db2.gz DBAXYIIMUYORRC-MMTVBGGISA-N 0 0 440.518 6.786 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000101373524 557276635 /nfs/dbraw/zinc/27/66/35/557276635.db2.gz DBAXYIIMUYORRC-NGOKVRLYSA-N 0 0 440.518 6.786 50 0 IKAARN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@H]2C1 ZINC000100825903 557277007 /nfs/dbraw/zinc/27/70/07/557277007.db2.gz MABFDTJNUOTLLK-HOTGVXAUSA-N 0 0 429.303 5.091 50 0 IKAARN Cc1cc(NC(=O)c2ccc(CN(C)CC(=O)Nc3ccc(F)cc3)cc2)ccc1Cl ZINC000013056914 557278793 /nfs/dbraw/zinc/27/87/93/557278793.db2.gz GNZCJUUERXAEHM-UHFFFAOYSA-N 0 0 439.918 5.110 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000014008060 557279188 /nfs/dbraw/zinc/27/91/88/557279188.db2.gz ALJDWBYGVMIAIH-UHFFFAOYSA-N 0 0 425.410 5.347 50 0 IKAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)Nc3ccc(C)cc3)=CSC2=N1 ZINC000101403388 557280344 /nfs/dbraw/zinc/28/03/44/557280344.db2.gz UPBTXHBAJNHNLI-HSZRJFAPSA-N 0 0 447.560 5.162 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccc(Cl)cc1 ZINC000100985300 557280853 /nfs/dbraw/zinc/28/08/53/557280853.db2.gz WNWWWJJJDCBNQF-NRFANRHFSA-N 0 0 427.895 5.240 50 0 IKAARN CCCCCC(=O)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000023322901 557281112 /nfs/dbraw/zinc/28/11/12/557281112.db2.gz UXPAUYPRTNICQB-UHFFFAOYSA-N 0 0 430.552 5.165 50 0 IKAARN CCCCn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)c1=N ZINC000101001418 557281178 /nfs/dbraw/zinc/28/11/78/557281178.db2.gz ILIDTXORXBIBIQ-UHFFFAOYSA-N 0 0 432.571 6.500 50 0 IKAARN CC1=C(CC(=O)NCc2ccccc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101377251 557281420 /nfs/dbraw/zinc/28/14/20/557281420.db2.gz WKDGGHQUVMNSDK-KBKPQOPKSA-N 0 0 445.559 5.597 50 0 IKAARN Clc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3)c2c1 ZINC000101379491 557281655 /nfs/dbraw/zinc/28/16/55/557281655.db2.gz CFOFZELIAOMFSP-AZPGRJICSA-N 0 0 429.976 6.826 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014014845 557282302 /nfs/dbraw/zinc/28/23/02/557282302.db2.gz GMGWKCOYTXNNMG-UHFFFAOYSA-N 0 0 435.578 5.417 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000101094639 557282966 /nfs/dbraw/zinc/28/29/66/557282966.db2.gz ZJZVWYXEAMQAPU-UHFFFAOYSA-N 0 0 434.879 5.076 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000101096039 557283009 /nfs/dbraw/zinc/28/30/09/557283009.db2.gz QEDYDOJJVOIASF-UHFFFAOYSA-N 0 0 440.565 5.147 50 0 IKAARN O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1ccc(F)cc1F ZINC000011665514 557284165 /nfs/dbraw/zinc/28/41/65/557284165.db2.gz CUMACNCVIJVOGK-UHFFFAOYSA-N 0 0 433.443 5.050 50 0 IKAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc(CN2CCOCC2)cc1 ZINC000014019951 557284494 /nfs/dbraw/zinc/28/44/94/557284494.db2.gz HNTAFCAFIUEJGJ-UHFFFAOYSA-N 0 0 445.544 5.173 50 0 IKAARN Cc1cc(=O)oc2cc(OCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)c(Cl)cc12 ZINC000014021653 557284515 /nfs/dbraw/zinc/28/45/15/557284515.db2.gz WXOWXSINRYPRQF-UHFFFAOYSA-N 0 0 427.884 5.001 50 0 IKAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023323150 557284747 /nfs/dbraw/zinc/28/47/47/557284747.db2.gz YSUBPGDJDZCFON-NLFFAJNJSA-N 0 0 434.967 5.041 50 0 IKAARN O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 ZINC000101459252 557285066 /nfs/dbraw/zinc/28/50/66/557285066.db2.gz GGBIKIVOKMALBV-NRFANRHFSA-N 0 0 439.277 5.391 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000101433470 557285330 /nfs/dbraw/zinc/28/53/30/557285330.db2.gz VJHKNBKSARUQMQ-LYZGTLIUSA-N 0 0 440.518 6.704 50 0 IKAARN COc1ccc(COCc2cccc(NC(=O)NCc3cccc(N4CC=CC4)c3)c2)cc1 ZINC000101431894 557285432 /nfs/dbraw/zinc/28/54/32/557285432.db2.gz AITZARMQKOECGY-UHFFFAOYSA-N 0 0 443.547 5.110 50 0 IKAARN CC1=C(CC(=O)Nc2cccc(O)c2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101480030 557287683 /nfs/dbraw/zinc/28/76/83/557287683.db2.gz IIVJQLHMWVTLKK-QYTKIBOQSA-N 0 0 447.531 5.625 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCO5)cc1C ZINC000101488962 557287958 /nfs/dbraw/zinc/28/79/58/557287958.db2.gz ZUXPFOZFRKJXIN-UHFFFAOYSA-N 0 0 425.463 5.736 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccc(F)cc1 ZINC000101489092 557288030 /nfs/dbraw/zinc/28/80/30/557288030.db2.gz KJLWBUHVPDBSIK-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1OC ZINC000101489221 557288303 /nfs/dbraw/zinc/28/83/03/557288303.db2.gz FXOZFCAACYVEMR-UHFFFAOYSA-N 0 0 439.515 5.667 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000101472949 557290524 /nfs/dbraw/zinc/29/05/24/557290524.db2.gz XEVKWAVTQJYFCZ-WTYVLRPYSA-N 0 0 440.562 7.752 50 0 IKAARN CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000101559505 557291034 /nfs/dbraw/zinc/29/10/34/557291034.db2.gz BDAAXGLGLLDSPE-NRFANRHFSA-N 0 0 444.575 6.383 50 0 IKAARN COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2ncn(Cc3ccco3)c(=N)c21 ZINC000101362504 557291768 /nfs/dbraw/zinc/29/17/68/557291768.db2.gz QUSBJULTYTXUHJ-QHCPKHFHSA-N 0 0 435.483 5.452 50 0 IKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000101639446 557292080 /nfs/dbraw/zinc/29/20/80/557292080.db2.gz LUKQXVJWLACPJD-AREMUKBSSA-N 0 0 444.619 7.433 50 0 IKAARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1 ZINC000101380645 557292272 /nfs/dbraw/zinc/29/22/72/557292272.db2.gz VJPJZXLIGRIPPM-NFQMXDRXSA-N 0 0 438.527 6.548 50 0 IKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1 ZINC000101466185 557292953 /nfs/dbraw/zinc/29/29/53/557292953.db2.gz LDFZKOYCRHBCOW-NLSFWIRASA-N 0 0 433.548 5.519 50 0 IKAARN O=C([C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1)N1CCCCC1 ZINC000014084402 557300000 /nfs/dbraw/zinc/30/00/00/557300000.db2.gz UQDOPPVSOMZQFQ-OAQYLSRUSA-N 0 0 436.556 5.265 50 0 IKAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1csc(Br)c1 ZINC000102179338 557300264 /nfs/dbraw/zinc/30/02/64/557300264.db2.gz LMKZVEOJOUBUDY-BJMVGYQFSA-N 0 0 427.245 5.184 50 0 IKAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccco1)C1=CCCCC1 ZINC000014085557 557300280 /nfs/dbraw/zinc/30/02/80/557300280.db2.gz PJWMPYGEXXAQKV-UHFFFAOYSA-N 0 0 434.565 5.317 50 0 IKAARN COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(F)cc4)o3)s2)cc1 ZINC000011666874 557301544 /nfs/dbraw/zinc/30/15/44/557301544.db2.gz FXGQJWWFXMMJIG-UHFFFAOYSA-N 0 0 436.508 5.713 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)CCc4ccccc4)nn3[C@H](c3ccccc3)C2)cc1 ZINC000101835293 557301673 /nfs/dbraw/zinc/30/16/73/557301673.db2.gz IBEYNWHWOVMVQN-DEOSSOPVSA-N 0 0 435.531 5.214 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(Cl)cc4)nn32)cc1 ZINC000101835551 557301876 /nfs/dbraw/zinc/30/18/76/557301876.db2.gz WTOFSOPLOFMXQT-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4F)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000101835355 557301912 /nfs/dbraw/zinc/30/19/12/557301912.db2.gz JGVSETDNPBBLGV-JOCHJYFZSA-N 0 0 425.467 5.034 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(F)cc4)nn32)cc1 ZINC000101835546 557301988 /nfs/dbraw/zinc/30/19/88/557301988.db2.gz RXNDGFNSBRXCOT-JOCHJYFZSA-N 0 0 425.467 5.034 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4cccc(Cl)c4)nn32)cc1 ZINC000101835617 557302207 /nfs/dbraw/zinc/30/22/07/557302207.db2.gz YBCBSWKLEVNORR-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc12 ZINC000014094085 557302320 /nfs/dbraw/zinc/30/23/20/557302320.db2.gz RBBGTTLHGKNVDU-INIZCTEOSA-N 0 0 438.622 5.692 50 0 IKAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)c1 ZINC000101836019 557302447 /nfs/dbraw/zinc/30/24/47/557302447.db2.gz DGNJMNQGNWDKJM-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101836114 557302656 /nfs/dbraw/zinc/30/26/56/557302656.db2.gz OPGHFEARSCTOPL-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101836560 557302941 /nfs/dbraw/zinc/30/29/41/557302941.db2.gz GZWPGMUEFFJBKK-OAQYLSRUSA-N 0 0 427.895 5.240 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)nc1-c1ccccc1 ZINC000011666927 557302965 /nfs/dbraw/zinc/30/29/65/557302965.db2.gz RNWZNRSCUAFKSD-UHFFFAOYSA-N 0 0 442.949 6.107 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccs4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836451 557302998 /nfs/dbraw/zinc/30/29/98/557302998.db2.gz XFAINTNZTASONW-IBGZPJMESA-N 0 0 431.496 5.095 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(CC)cc1 ZINC000023325184 557303051 /nfs/dbraw/zinc/30/30/51/557303051.db2.gz QCRNWAOFVPRRHP-UHFFFAOYSA-N 0 0 426.582 5.494 50 0 IKAARN COc1ccccc1-c1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)n1 ZINC000011666985 557303054 /nfs/dbraw/zinc/30/30/54/557303054.db2.gz GQTAVTKGCWBHBT-UHFFFAOYSA-N 0 0 437.524 6.286 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2 ZINC000101837237 557303237 /nfs/dbraw/zinc/30/32/37/557303237.db2.gz DQMFFPLSJAVTPP-GOSISDBHSA-N 0 0 425.895 5.111 50 0 IKAARN CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101836732 557303243 /nfs/dbraw/zinc/30/32/43/557303243.db2.gz JKQQHQXLELEMDA-GOSISDBHSA-N 0 0 428.323 5.235 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000102518572 557303302 /nfs/dbraw/zinc/30/33/02/557303302.db2.gz JWIGEAVWLYRBQQ-DNQXCXABSA-N 0 0 425.484 5.252 50 0 IKAARN Clc1ccccc1-c1nc(CSc2nnc(Cc3cccs3)n2C2CC2)cs1 ZINC000014109159 557303834 /nfs/dbraw/zinc/30/38/34/557303834.db2.gz MRSSBHUTKIFBRT-UHFFFAOYSA-N 0 0 445.038 6.335 50 0 IKAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)cc1 ZINC000101880619 557304975 /nfs/dbraw/zinc/30/49/75/557304975.db2.gz FYNMYOBSJGNMFU-UHFFFAOYSA-N 0 0 440.547 5.065 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c(C)c1 ZINC000101880886 557305113 /nfs/dbraw/zinc/30/51/13/557305113.db2.gz FXMRNTWNOQINBU-UHFFFAOYSA-N 0 0 446.938 5.156 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000101968805 557306712 /nfs/dbraw/zinc/30/67/12/557306712.db2.gz FSSOXNJUWLJOGO-VWLOTQADSA-N 0 0 436.515 5.508 50 0 aggregator IKAARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000014128715 557307689 /nfs/dbraw/zinc/30/76/89/557307689.db2.gz XQTAYNPIVGOWBH-INIZCTEOSA-N 0 0 447.516 5.657 50 0 IKAARN O=C(CN1CCC[C@@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014129748 557308095 /nfs/dbraw/zinc/30/80/95/557308095.db2.gz RQWRIEHNSGOXPR-HXUWFJFHSA-N 0 0 437.634 5.454 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000101947649 557308273 /nfs/dbraw/zinc/30/82/73/557308273.db2.gz DZBCGPCPLDQLBM-UHFFFAOYSA-N 0 0 443.450 5.263 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1ccc(Cl)cc1F ZINC000101947644 557308279 /nfs/dbraw/zinc/30/82/79/557308279.db2.gz XKGWARGYRNNDIG-UHFFFAOYSA-N 0 0 427.888 5.037 50 0 IKAARN CCc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101947874 557308666 /nfs/dbraw/zinc/30/86/66/557308666.db2.gz LHWXVDNAISGDKA-UHFFFAOYSA-N 0 0 431.561 5.424 50 0 IKAARN CCN(CC)P(=NC(=O)Nc1ccccc1)(N(CC)CC)C(Cl)(Cl)Cl ZINC000013303286 557308845 /nfs/dbraw/zinc/30/88/45/557308845.db2.gz WOPQZSDHZSMWBR-UHFFFAOYSA-N 0 0 427.744 6.261 50 0 IKAARN CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000014128511 557308996 /nfs/dbraw/zinc/30/89/96/557308996.db2.gz QZZUAJKSOQVUIY-UHFFFAOYSA-N 0 0 436.625 5.796 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000014139156 557309145 /nfs/dbraw/zinc/30/91/45/557309145.db2.gz VIJGCYHRZNXCKP-UHFFFAOYSA-N 0 0 436.939 5.100 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1C ZINC000101972423 557309412 /nfs/dbraw/zinc/30/94/12/557309412.db2.gz JEQMVYMKBZVJHW-UHFFFAOYSA-N 0 0 445.950 5.131 50 0 IKAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023326322 557311261 /nfs/dbraw/zinc/31/12/61/557311261.db2.gz AORVIHZMLGSJKC-NXCFDTQHSA-N 0 0 445.994 5.313 50 0 IKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000101998990 557311324 /nfs/dbraw/zinc/31/13/24/557311324.db2.gz ZYKQWNZRABBVDS-SANMLTNESA-N 0 0 446.547 6.254 50 0 IKAARN O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023326329 557311581 /nfs/dbraw/zinc/31/15/81/557311581.db2.gz AORVIHZMLGSJKC-GSDHBNRESA-N 0 0 445.994 5.313 50 0 IKAARN CCCCc1nc2sc3c(ncnc3NC[C@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000004825550 557312388 /nfs/dbraw/zinc/31/23/88/557312388.db2.gz XRQCSWFGFUTJBS-CQSZACIVSA-N 0 0 426.586 5.024 50 0 IKAARN CN(c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000102159972 557312850 /nfs/dbraw/zinc/31/28/50/557312850.db2.gz HWJCIWCLDIZRDL-JWQCQUIFSA-N 0 0 448.975 5.704 50 0 IKAARN COc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000102133543 557313350 /nfs/dbraw/zinc/31/33/50/557313350.db2.gz PLEABYMPHLDHDE-RUZDIDTESA-N 0 0 436.515 5.508 50 0 IKAARN COc1cccc(C2=Nc3c(C(=O)Nc4ccc(C)cc4)cnn3[C@@H](c3ccccc3)C2)c1 ZINC000102133419 557313389 /nfs/dbraw/zinc/31/33/89/557313389.db2.gz DGMUNGAWIOBVLG-RUZDIDTESA-N 0 0 436.515 5.508 50 0 IKAARN CCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)s2)cc1 ZINC000023327749 557313943 /nfs/dbraw/zinc/31/39/43/557313943.db2.gz HMPSJOAYZKGYAY-AWEZNQCLSA-N 0 0 430.367 6.067 50 0 IKAARN CCOc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(Br)cc3)s2)cc1 ZINC000023327753 557313947 /nfs/dbraw/zinc/31/39/47/557313947.db2.gz HMPSJOAYZKGYAY-CQSZACIVSA-N 0 0 430.367 6.067 50 0 IKAARN CC[C@H](C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000023327723 557313978 /nfs/dbraw/zinc/31/39/78/557313978.db2.gz GEPUTQZHGZGHBR-UIOOFZCWSA-N 0 0 432.995 5.767 50 0 IKAARN FC(F)(F)[C@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@H]2SC3=C(CCCC3)N21 ZINC000102197074 557314583 /nfs/dbraw/zinc/31/45/83/557314583.db2.gz LPNUZJDVGVVRFO-NHCUHLMSSA-N 0 0 430.499 5.591 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCCC1=CCCCC1 ZINC000004827743 557314735 /nfs/dbraw/zinc/31/47/35/557314735.db2.gz JRMLCQBAZOJNJB-SANMLTNESA-N 0 0 427.548 5.028 50 0 IKAARN Cc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1Cl ZINC000102201390 557314865 /nfs/dbraw/zinc/31/48/65/557314865.db2.gz DERGRHAIDIQLHG-UHFFFAOYSA-N 0 0 433.895 6.011 50 0 IKAARN COc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1OC ZINC000102201381 557314911 /nfs/dbraw/zinc/31/49/11/557314911.db2.gz UJJGAGFXZNOEBJ-UHFFFAOYSA-N 0 0 445.475 5.066 50 0 IKAARN CSc1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000102201498 557314917 /nfs/dbraw/zinc/31/49/17/557314917.db2.gz WHEMEMAXHURNAZ-UHFFFAOYSA-N 0 0 431.517 5.771 50 0 IKAARN Fc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000102230242 557315140 /nfs/dbraw/zinc/31/51/40/557315140.db2.gz JZWXTDIPFHZJKA-HNNXBMFYSA-N 0 0 429.204 5.799 50 0 IKAARN CNC(=O)c1ccc(/C=C/C(=O)N(c2nc3ccccc3s2)c2ccc(C)c(F)c2)cc1 ZINC000032760504 557315193 /nfs/dbraw/zinc/31/51/93/557315193.db2.gz OPCYXHIVWNTTOS-GXDHUFHOSA-N 0 0 445.519 5.482 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)[C@H]1C ZINC000102214857 557315593 /nfs/dbraw/zinc/31/55/93/557315593.db2.gz JQJAKBIMFWMGBM-ILXRZTDVSA-N 0 0 428.579 5.123 50 0 IKAARN O=C1CC(c2ccc(Br)s2)=Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000102301215 557316049 /nfs/dbraw/zinc/31/60/49/557316049.db2.gz NZYJCOUKKLHSTJ-UHFFFAOYSA-N 0 0 445.769 6.222 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)Cn1nc(-c2ccc(Cl)cc2)oc1=S ZINC000014201269 557317356 /nfs/dbraw/zinc/31/73/56/557317356.db2.gz NSNFPGAWUAGOHY-UHFFFAOYSA-N 0 0 441.944 5.444 50 0 IKAARN COc1cccc(-n2c3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c3sc2=S)c1 ZINC000032948249 557317826 /nfs/dbraw/zinc/31/78/26/557317826.db2.gz DLVRPWUXXWQWKD-UHFFFAOYSA-N 0 0 447.994 5.459 50 0 IKAARN O=c1c2ccccc2c2c(O)nc(-c3cccc(C(F)(F)F)c3)n2n1Cc1ccccc1 ZINC000102361292 557318087 /nfs/dbraw/zinc/31/80/87/557318087.db2.gz NMRDBEMCKOXTKL-UHFFFAOYSA-N 0 0 435.405 5.089 50 0 IKAARN Cc1ccc(C)c(OCCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1 ZINC000011667336 557318275 /nfs/dbraw/zinc/31/82/75/557318275.db2.gz NRFUNDHFFCNKGP-FQEVSTJZSA-N 0 0 431.536 5.596 50 0 IKAARN Cc1cc(OCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)ccc1Cl ZINC000011667402 557318552 /nfs/dbraw/zinc/31/85/52/557318552.db2.gz GNOVDFRBFSBOPD-QGZVFWFLSA-N 0 0 437.927 5.551 50 0 IKAARN CC(=O)c1sc(N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)nc1C ZINC000033389716 557319188 /nfs/dbraw/zinc/31/91/88/557319188.db2.gz LWCCFKSLVJUWCE-VBPXLXDBSA-N 0 0 427.573 6.455 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000032961075 557319505 /nfs/dbraw/zinc/31/95/05/557319505.db2.gz BKNIWFRDWRHHRH-UHFFFAOYSA-N 0 0 431.517 5.129 50 0 IKAARN Cc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 ZINC000102343709 557319649 /nfs/dbraw/zinc/31/96/49/557319649.db2.gz JLYCXJWRLSBINT-XZOQPEGZSA-N 0 0 443.591 5.112 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3ccc(C(C)=O)cc3)cc21 ZINC000032986708 557320315 /nfs/dbraw/zinc/32/03/15/557320315.db2.gz CVCZNIYEUFHUFB-UHFFFAOYSA-N 0 0 428.463 5.895 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc2nc(-c3cccc(Cl)c3)cc(OCC)c2c1 ZINC000032986614 557320324 /nfs/dbraw/zinc/32/03/24/557320324.db2.gz YDNKNUYGXOOHSR-UHFFFAOYSA-N 0 0 446.934 6.605 50 0 IKAARN CC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1 ZINC000033007583 557320569 /nfs/dbraw/zinc/32/05/69/557320569.db2.gz MUCASCXOEIYFCT-UHFFFAOYSA-N 0 0 429.567 5.103 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCc4ccccc4Cl)cc3)ncn2)c1 ZINC000033010695 557320877 /nfs/dbraw/zinc/32/08/77/557320877.db2.gz ZTZQNNYGFUBBJY-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)ncn2)cc1 ZINC000033010807 557321061 /nfs/dbraw/zinc/32/10/61/557321061.db2.gz RSNYVXKVINLYQZ-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN COc1cc(OC)cc(-c2noc(-c3ccc(CSCc4ccccc4F)o3)n2)c1 ZINC000033021873 557321384 /nfs/dbraw/zinc/32/13/84/557321384.db2.gz YSQCYTSHXJDZEY-UHFFFAOYSA-N 0 0 426.469 5.586 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088374 557322501 /nfs/dbraw/zinc/32/25/01/557322501.db2.gz NTOJPRIUTIQETC-UHFFFAOYSA-N 0 0 449.795 5.163 50 0 IKAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000033037364 557322505 /nfs/dbraw/zinc/32/25/05/557322505.db2.gz SSFZKGJKSOYQEQ-UHFFFAOYSA-N 0 0 428.467 5.198 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cc(C)ccn2)cc1 ZINC000033037188 557322534 /nfs/dbraw/zinc/32/25/34/557322534.db2.gz QGVIVQOZQLWYQT-UHFFFAOYSA-N 0 0 439.519 5.070 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2cccc(OC)c2)cc1 ZINC000033068687 557323432 /nfs/dbraw/zinc/32/34/32/557323432.db2.gz CGDADNZXOVRICH-UHFFFAOYSA-N 0 0 443.572 5.522 50 0 IKAARN COc1cccc(NC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1 ZINC000033131020 557325295 /nfs/dbraw/zinc/32/52/95/557325295.db2.gz GJRNSRGTULOGGZ-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139138 557325565 /nfs/dbraw/zinc/32/55/65/557325565.db2.gz LOURUCQAXQXYOR-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000033139953 557325792 /nfs/dbraw/zinc/32/57/92/557325792.db2.gz MUEFQKPEBIABTN-UHFFFAOYSA-N 0 0 445.519 5.798 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168684 557326313 /nfs/dbraw/zinc/32/63/13/557326313.db2.gz XVRABJKBOSKAAI-HXUWFJFHSA-N 0 0 432.593 5.354 50 0 IKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)Cc2nc(-c3cccs3)oc2C)cc1 ZINC000024501247 557326596 /nfs/dbraw/zinc/32/65/96/557326596.db2.gz XJNGKFNOVKSBNH-UHFFFAOYSA-N 0 0 431.561 5.440 50 0 IKAARN O=C1c2cccc3cc(Br)cc(c32)C(=O)N1Nc1cc(Cl)ccc1Cl ZINC000000832952 557326680 /nfs/dbraw/zinc/32/66/80/557326680.db2.gz GXKVDBOFFXRUDN-UHFFFAOYSA-N 0 0 436.092 5.532 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)c(Cl)c1)CCCC3 ZINC000002266330 557328070 /nfs/dbraw/zinc/32/80/70/557328070.db2.gz AKLUTYDBXPSYHB-UHFFFAOYSA-N 0 0 425.406 5.956 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4cccc(CC)c4)ccc3[nH]2)cc1 ZINC000033264756 557328366 /nfs/dbraw/zinc/32/83/66/557328366.db2.gz OUPJCSHCYYHJTA-UHFFFAOYSA-N 0 0 440.547 5.511 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 ZINC000033270692 557328597 /nfs/dbraw/zinc/32/85/97/557328597.db2.gz LKKAJAHNIAOIMI-UHFFFAOYSA-N 0 0 428.901 5.036 50 0 IKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1Cl ZINC000033255282 557329436 /nfs/dbraw/zinc/32/94/36/557329436.db2.gz DQMWYEYXNLLIBO-UHFFFAOYSA-N 0 0 431.323 5.763 50 0 IKAARN CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4Br)o3)n2)cc1 ZINC000014250786 557330415 /nfs/dbraw/zinc/33/04/15/557330415.db2.gz NAYUEALBBBLZLO-UHFFFAOYSA-N 0 0 443.326 5.404 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3cc(C)cc(C)c3)nc(N3CCCC3)c12 ZINC000033279954 557331579 /nfs/dbraw/zinc/33/15/79/557331579.db2.gz GBPCBWXTJLOAHM-UHFFFAOYSA-N 0 0 439.563 5.507 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)c(F)c3)C2)cc1 ZINC000033288469 557332277 /nfs/dbraw/zinc/33/22/77/557332277.db2.gz OFLUOUFTJARZIG-GOSISDBHSA-N 0 0 436.556 5.239 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033288881 557332320 /nfs/dbraw/zinc/33/23/20/557332320.db2.gz PZNIKOJXWGRLML-UHFFFAOYSA-N 0 0 441.578 5.156 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033326742 557333240 /nfs/dbraw/zinc/33/32/40/557333240.db2.gz ZXFHYPKFDINHQH-UHFFFAOYSA-N 0 0 430.556 6.226 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3cccc(Cl)c3)c2C(N)=O)C1 ZINC000033400503 557333898 /nfs/dbraw/zinc/33/38/98/557333898.db2.gz VXICAUNYBHPMGG-QIENPNARSA-N 0 0 431.001 5.693 50 0 IKAARN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(Br)cc1 ZINC000033436954 557335412 /nfs/dbraw/zinc/33/54/12/557335412.db2.gz HURDKEWIPNGAHV-DHDCSXOGSA-N 0 0 436.352 5.366 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)o1 ZINC000014357617 557335716 /nfs/dbraw/zinc/33/57/16/557335716.db2.gz KPMPXGMUWDOTRM-UHFFFAOYSA-N 0 0 444.531 5.045 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC000014360605 557336303 /nfs/dbraw/zinc/33/63/03/557336303.db2.gz NRWXKNFNGGMSRJ-IAGOWNOFSA-N 0 0 431.985 5.294 50 0 IKAARN Cc1cccc(C(=O)N[C@H](NC(=S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)c1 ZINC000000836718 557336291 /nfs/dbraw/zinc/33/62/91/557336291.db2.gz YIHQJNZPBXHQLN-QGZVFWFLSA-N 0 0 444.815 5.025 50 0 IKAARN COCCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1C ZINC000014361418 557336515 /nfs/dbraw/zinc/33/65/15/557336515.db2.gz ODKAHCOLOJRRHY-UHFFFAOYSA-N 0 0 447.604 5.319 50 0 IKAARN O=C(c1ccc(F)c(F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023329559 557339186 /nfs/dbraw/zinc/33/91/86/557339186.db2.gz JPUJOAYPPFSHFM-QHCPKHFHSA-N 0 0 426.894 5.166 50 0 IKAARN Cc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1F ZINC000023329481 557339214 /nfs/dbraw/zinc/33/92/14/557339214.db2.gz OETUPWCRGSPFJU-DEOSSOPVSA-N 0 0 437.946 5.727 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000102529247 557340139 /nfs/dbraw/zinc/34/01/39/557340139.db2.gz NFUNHOXIXWRESA-UHFFFAOYSA-N 0 0 437.421 5.202 50 0 IKAARN O=C(Nc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1)Nc1ccc(Cl)cc1 ZINC000263640117 557340280 /nfs/dbraw/zinc/34/02/80/557340280.db2.gz YFXCVQQMZKIGBU-UHFFFAOYSA-N 0 0 433.242 6.175 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c(Cl)c1 ZINC000102529893 557341220 /nfs/dbraw/zinc/34/12/20/557341220.db2.gz PKIQNGBLEKLYIF-UHFFFAOYSA-N 0 0 435.886 5.284 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)C2)cc1C ZINC000102530071 557341490 /nfs/dbraw/zinc/34/14/90/557341490.db2.gz LZOIZVIMFPNONA-UHFFFAOYSA-N 0 0 439.559 5.923 50 0 IKAARN CSc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000102530112 557341515 /nfs/dbraw/zinc/34/15/15/557341515.db2.gz WPGHRPLWQCCPGR-UHFFFAOYSA-N 0 0 443.572 5.522 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3F)C(=O)C2)cc1C ZINC000102530050 557341586 /nfs/dbraw/zinc/34/15/86/557341586.db2.gz KATREZHYIHGSGE-UHFFFAOYSA-N 0 0 433.458 5.078 50 0 IKAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023330837 557342275 /nfs/dbraw/zinc/34/22/75/557342275.db2.gz ASPZHQBBVYEGSW-RUZDIDTESA-N 0 0 434.555 5.572 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)C2)cc1 ZINC000102530357 557342566 /nfs/dbraw/zinc/34/25/66/557342566.db2.gz KDSKXEWGRMDHCO-UHFFFAOYSA-N 0 0 447.922 5.153 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)C2)cc1 ZINC000102530819 557342776 /nfs/dbraw/zinc/34/27/76/557342776.db2.gz QYGADYSZYKUKSQ-UHFFFAOYSA-N 0 0 445.950 5.707 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3CC)C(=O)C2)cc1 ZINC000102530701 557342848 /nfs/dbraw/zinc/34/28/48/557342848.db2.gz KKHWQSHMBIZPGQ-UHFFFAOYSA-N 0 0 425.532 5.308 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cccc3C)C(=O)C2)cc1 ZINC000102530695 557342853 /nfs/dbraw/zinc/34/28/53/557342853.db2.gz QXLKAWUZMMLGDF-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000014580391 557342972 /nfs/dbraw/zinc/34/29/72/557342972.db2.gz OUXFDWGXUBFCDI-UHFFFAOYSA-N 0 0 436.558 5.074 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cccc3C)C(=O)C2)c(C)c1 ZINC000102531022 557343103 /nfs/dbraw/zinc/34/31/03/557343103.db2.gz UOCAISFGVKXMPR-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN CC(=O)c1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)c1 ZINC000102531137 557343123 /nfs/dbraw/zinc/34/31/23/557343123.db2.gz BHHLZLQLJYXUQP-UHFFFAOYSA-N 0 0 439.515 5.002 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1 ZINC000102530901 557343151 /nfs/dbraw/zinc/34/31/51/557343151.db2.gz FZRAKGYEEIBSNJ-UHFFFAOYSA-N 0 0 445.950 5.076 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000102531002 557343185 /nfs/dbraw/zinc/34/31/85/557343185.db2.gz QDBSMXTXGZNFHG-OAQYLSRUSA-N 0 0 441.325 6.049 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023331894 557343850 /nfs/dbraw/zinc/34/38/50/557343850.db2.gz CLWIEWXXWUNPSI-QHCPKHFHSA-N 0 0 441.909 5.557 50 0 IKAARN CC[C@H](C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023331275 557344199 /nfs/dbraw/zinc/34/41/99/557344199.db2.gz KOQKERIPOWOKEV-VWLOTQADSA-N 0 0 434.530 5.392 50 0 IKAARN Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000023331354 557344217 /nfs/dbraw/zinc/34/42/17/557344217.db2.gz IFYNSEZURCPDTQ-XMMPIXPASA-N 0 0 449.392 5.305 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1 ZINC000023331203 557344247 /nfs/dbraw/zinc/34/42/47/557344247.db2.gz BABLDBVCJBWYSZ-UHFFFAOYSA-N 0 0 436.726 5.717 50 0 IKAARN CCc1ccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)cc1 ZINC000014608869 557344761 /nfs/dbraw/zinc/34/47/61/557344761.db2.gz BXUPZUFXSDTMKG-UHFFFAOYSA-N 0 0 430.577 5.660 50 0 IKAARN Cc1oc(-c2cc(Cl)cc(Cl)c2)c(C)c1-c1nn2c(nnc2-c2ccco2)s1 ZINC000033671729 557344794 /nfs/dbraw/zinc/34/47/94/557344794.db2.gz FYVIYNADHCYNFW-UHFFFAOYSA-N 0 0 431.304 6.296 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccccc3Cl)s2)c(C)c1Cc1ccccc1 ZINC000014608872 557344851 /nfs/dbraw/zinc/34/48/51/557344851.db2.gz FLDWMPKBUJEBAX-UHFFFAOYSA-N 0 0 436.968 5.751 50 0 IKAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)CC(C)(C)C)CC2)c1Cc1ccccc1 ZINC000033672863 557344896 /nfs/dbraw/zinc/34/48/96/557344896.db2.gz HFIYHKVRZVILJD-UHFFFAOYSA-N 0 0 442.607 5.128 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609335 557345097 /nfs/dbraw/zinc/34/50/97/557345097.db2.gz LCDKXDKGAQBSQM-UHFFFAOYSA-N 0 0 444.604 5.643 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609320 557345196 /nfs/dbraw/zinc/34/51/96/557345196.db2.gz MCJRTHCEMRZFHG-UHFFFAOYSA-N 0 0 434.540 5.165 50 0 IKAARN COc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(Cc3ccc(C)cc3)c2C)n1 ZINC000014609319 557345198 /nfs/dbraw/zinc/34/51/98/557345198.db2.gz VLRHTZPPEHDDON-UHFFFAOYSA-N 0 0 446.576 5.035 50 0 IKAARN COc1ccc(CC2CCN(C(=O)c3c(C)noc3-c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000023332922 557346319 /nfs/dbraw/zinc/34/63/19/557346319.db2.gz VHVJAKPCKLUSTB-UHFFFAOYSA-N 0 0 446.591 6.051 50 0 IKAARN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023332916 557346424 /nfs/dbraw/zinc/34/64/24/557346424.db2.gz OBKAISIWZUXPAY-UHFFFAOYSA-N 0 0 442.607 5.996 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000023333031 557346649 /nfs/dbraw/zinc/34/66/49/557346649.db2.gz AKSVVYYSNWJEKC-XMMPIXPASA-N 0 0 439.386 5.849 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1csc(-c2ccsc2)n1 ZINC000014641743 557346725 /nfs/dbraw/zinc/34/67/25/557346725.db2.gz NAIINVLTTYVRHX-KRWDZBQOSA-N 0 0 434.970 5.023 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)OCc1cc(-c2ccccc2)on1 ZINC000014640634 557346771 /nfs/dbraw/zinc/34/67/71/557346771.db2.gz NRNXRHNWXCBFFY-BUHFOSPRSA-N 0 0 427.504 5.268 50 0 IKAARN O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023333133 557347011 /nfs/dbraw/zinc/34/70/11/557347011.db2.gz GDHAVIYERFAOMV-GIVPXCGWSA-N 0 0 431.555 5.832 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023333662 557347632 /nfs/dbraw/zinc/34/76/32/557347632.db2.gz XRVMPUOMFGLGDB-VWLOTQADSA-N 0 0 449.982 5.678 50 0 IKAARN CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC4 ZINC000072332900 557347646 /nfs/dbraw/zinc/34/76/46/557347646.db2.gz MCSMMGJCXCBSKD-RDDAHLCPSA-N 0 0 426.729 8.313 50 0 biogenic IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023334203 557347947 /nfs/dbraw/zinc/34/79/47/557347947.db2.gz WEQVFKSFZWRZDD-XMMPIXPASA-N 0 0 438.493 5.561 50 0 IKAARN CC(C)(C)c1cc(NC(=O)Cc2ccccc2Br)n(-c2ccccc2Cl)n1 ZINC000023334101 557348013 /nfs/dbraw/zinc/34/80/13/557348013.db2.gz WQFTVKSPISJCAY-UHFFFAOYSA-N 0 0 446.776 5.767 50 0 IKAARN CCCCC[C@H](C)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023335611 557348225 /nfs/dbraw/zinc/34/82/25/557348225.db2.gz NGDJMEUUTWMGSL-KRWDZBQOSA-N 0 0 445.485 6.137 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1NC(=O)C1CCC1 ZINC000023335548 557348233 /nfs/dbraw/zinc/34/82/33/557348233.db2.gz TYKQKHZQMVQGDY-UHFFFAOYSA-N 0 0 437.515 5.408 50 0 IKAARN CC(C)CC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023335868 557348265 /nfs/dbraw/zinc/34/82/65/557348265.db2.gz OIWFUOZVQGJGOS-QGZVFWFLSA-N 0 0 445.485 5.992 50 0 IKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cc(-c2onc3c2CCCC3)ccc1Cl ZINC000023335710 557348326 /nfs/dbraw/zinc/34/83/26/557348326.db2.gz VCEAIFIJUBDVEZ-DHZHZOJOSA-N 0 0 446.856 6.545 50 0 IKAARN CCCN(CC1CC1)C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CCC(C)C)c1 ZINC000023336026 557348571 /nfs/dbraw/zinc/34/85/71/557348571.db2.gz BJEBSIBRVXAHHW-UHFFFAOYSA-N 0 0 435.572 5.082 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n(-c2ccccc2Cl)n1 ZINC000023336157 557348847 /nfs/dbraw/zinc/34/88/47/557348847.db2.gz BWRHNJLHNJLAAG-UHFFFAOYSA-N 0 0 437.849 5.974 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000023336796 557349192 /nfs/dbraw/zinc/34/91/92/557349192.db2.gz HQESKGFDFRUPMD-HSZRJFAPSA-N 0 0 434.923 5.696 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)NCCC(C)C)cc2)n1 ZINC000023336848 557349218 /nfs/dbraw/zinc/34/92/18/557349218.db2.gz BXNBUIWYBOUEQL-UHFFFAOYSA-N 0 0 439.943 5.145 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccc(F)c1 ZINC000102509369 557349294 /nfs/dbraw/zinc/34/92/94/557349294.db2.gz TUFKYZNHNOFOGI-FQEVSTJZSA-N 0 0 432.417 6.181 50 0 IKAARN COc1ccc(-c2cccc(-n3cncc3C(=O)NCCC3=CCCCC3)c2)cc1OC ZINC000023334351 557349388 /nfs/dbraw/zinc/34/93/88/557349388.db2.gz MQSBEVVDGYRGOW-UHFFFAOYSA-N 0 0 431.536 5.177 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000023334566 557349394 /nfs/dbraw/zinc/34/93/94/557349394.db2.gz GSODQQMOAIWYFE-IBGZPJMESA-N 0 0 430.548 6.342 50 0 IKAARN Cc1ccc2c(c1)c(C1CCN(C(=O)c3sc(Cl)c(Cl)c3Cl)CC1)cn2C ZINC000023334884 557349777 /nfs/dbraw/zinc/34/97/77/557349777.db2.gz QCZHXZULEHHWLU-UHFFFAOYSA-N 0 0 441.811 6.528 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023335201 557349880 /nfs/dbraw/zinc/34/98/80/557349880.db2.gz WOYGFZYYOISVMU-QHCPKHFHSA-N 0 0 443.349 5.680 50 0 IKAARN CCCC(=O)Nc1c2ccn(Cc3ccccc3Cl)c2ccc1OC(=O)N(CC)CC ZINC000023335042 557349947 /nfs/dbraw/zinc/34/99/47/557349947.db2.gz GVEOWOOAVDHBOE-UHFFFAOYSA-N 0 0 441.959 5.922 50 0 IKAARN CC(C)CC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023335112 557350006 /nfs/dbraw/zinc/35/00/06/557350006.db2.gz GZWLZZFXCWORQI-QGZVFWFLSA-N 0 0 429.486 6.113 50 0 IKAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NC4CCC(C)CC4)c3)n2)o1 ZINC000023335047 557350020 /nfs/dbraw/zinc/35/00/20/557350020.db2.gz FPVQFHXHQYPSQA-UHFFFAOYSA-N 0 0 435.572 5.128 50 0 IKAARN O=C(CCC1CCCC1)Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000023335379 557350259 /nfs/dbraw/zinc/35/02/59/557350259.db2.gz QTMFKKCAQMAYOU-UHFFFAOYSA-N 0 0 428.532 6.096 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000023335300 557350314 /nfs/dbraw/zinc/35/03/14/557350314.db2.gz SBKBAFWYXIPRFY-DEOSSOPVSA-N 0 0 438.493 5.561 50 0 IKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000023335437 557350338 /nfs/dbraw/zinc/35/03/38/557350338.db2.gz NSLLQUQYVILYND-UHFFFAOYSA-N 0 0 429.385 6.383 50 0 IKAARN CCOc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3cccs3)C2)cc1 ZINC000013562822 557353217 /nfs/dbraw/zinc/35/32/17/557353217.db2.gz CSCWVZRQWOZYAT-FQEVSTJZSA-N 0 0 427.367 6.265 50 0 IKAARN CCCCCCOc1ccccc1-c1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000023426544 557353707 /nfs/dbraw/zinc/35/37/07/557353707.db2.gz YRKBVCFYOSDYFC-UHFFFAOYSA-N 0 0 430.523 6.210 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N[C@H](C)C(C)C)cc2)n1 ZINC000023426816 557353752 /nfs/dbraw/zinc/35/37/52/557353752.db2.gz ZVMCVIPYTXAUPQ-LJQANCHMSA-N 0 0 433.552 5.107 50 0 IKAARN CCOC(=O)c1c(NC(=O)C=C(C)C)c(-c2ccc(OC)cc2)cn1Cc1ccccc1 ZINC000023428194 557353925 /nfs/dbraw/zinc/35/39/25/557353925.db2.gz TWUPMFMWMIOCOP-UHFFFAOYSA-N 0 0 432.520 5.293 50 0 IKAARN COc1ccc(-c2cc(NC(=O)C3CCCC3)n(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000023427306 557353936 /nfs/dbraw/zinc/35/39/36/557353936.db2.gz JQHWKNWHANAMFA-UHFFFAOYSA-N 0 0 430.335 5.983 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N[C@H](C)c1ccc(C)cc1 ZINC000023427727 557353956 /nfs/dbraw/zinc/35/39/56/557353956.db2.gz RTIGQYPZYZBOAI-OAHLLOKOSA-N 0 0 429.442 5.821 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)N(C)CC(C)C)cc2)n1 ZINC000023428063 557353982 /nfs/dbraw/zinc/35/39/82/557353982.db2.gz SNNLRYADAYKHDY-UHFFFAOYSA-N 0 0 439.943 5.097 50 0 IKAARN CCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000023427665 557354014 /nfs/dbraw/zinc/35/40/14/557354014.db2.gz JCKJURMGFNKTQJ-HSZRJFAPSA-N 0 0 430.470 5.860 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000023437171 557354626 /nfs/dbraw/zinc/35/46/26/557354626.db2.gz MMLGMQHCLPJOQI-RTBURBONSA-N 0 0 445.563 5.143 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000023428623 557354850 /nfs/dbraw/zinc/35/48/50/557354850.db2.gz ZUUPHZTYDWRDTE-NJSLBKSFSA-N 0 0 443.927 5.325 50 0 IKAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c2)cc1OC ZINC000023428273 557354889 /nfs/dbraw/zinc/35/48/89/557354889.db2.gz XMCGOZDQKCKZKW-RXVVDRJESA-N 0 0 447.579 5.501 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)CCc1ccccc1)CC2 ZINC000023429788 557355251 /nfs/dbraw/zinc/35/52/51/557355251.db2.gz UQPUKNNKXSGLGD-AREMUKBSSA-N 0 0 435.951 5.464 50 0 IKAARN O=c1c2cc(Br)ccc2nc(-c2ccc(Cl)c(F)c2)n1Cc1ccccc1 ZINC000023432018 557355458 /nfs/dbraw/zinc/35/54/58/557355458.db2.gz SOQAUAWQCZTTGD-UHFFFAOYSA-N 0 0 443.703 5.667 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H]3c1ccccc1OC ZINC000023433371 557355798 /nfs/dbraw/zinc/35/57/98/557355798.db2.gz ZENCZAPMEYUNEE-DNOBIOAJSA-N 0 0 448.607 6.122 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)cc1 ZINC000023448292 557355936 /nfs/dbraw/zinc/35/59/36/557355936.db2.gz YOFLCHCWDALPCJ-UHFFFAOYSA-N 0 0 429.541 6.189 50 0 IKAARN CCC[C@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2OC)c1 ZINC000023433633 557356041 /nfs/dbraw/zinc/35/60/41/557356041.db2.gz YQQWIIAIUGYAEN-KRWDZBQOSA-N 0 0 435.524 5.099 50 0 IKAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023448834 557356250 /nfs/dbraw/zinc/35/62/50/557356250.db2.gz CWRDYQZHJVUSHR-OAQYLSRUSA-N 0 0 439.559 5.258 50 0 IKAARN O=C(O/C(=C\c1nc2ccccc2n1Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000013590341 557356458 /nfs/dbraw/zinc/35/64/58/557356458.db2.gz DMQWWJXOLRGXSL-OOAXWGSJSA-N 0 0 430.507 6.440 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1cccc(F)c1)CC2 ZINC000023450355 557356539 /nfs/dbraw/zinc/35/65/39/557356539.db2.gz WOCXCUQFIVWGOZ-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000023449826 557356545 /nfs/dbraw/zinc/35/65/45/557356545.db2.gz KJLHFNVXMKLCLG-UHFFFAOYSA-N 0 0 443.934 6.077 50 0 IKAARN CCOCCn1cc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)c2ccccc21 ZINC000023450331 557356583 /nfs/dbraw/zinc/35/65/83/557356583.db2.gz DIGVSIMNYHUIMI-UHFFFAOYSA-N 0 0 432.589 5.912 50 0 IKAARN Cc1cc(C)cc(CC(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1 ZINC000023450366 557356758 /nfs/dbraw/zinc/35/67/58/557356758.db2.gz BPRXINIDZQWYMA-UHFFFAOYSA-N 0 0 437.587 5.650 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1c(F)cccc1F)CC2 ZINC000023450481 557356771 /nfs/dbraw/zinc/35/67/71/557356771.db2.gz AYNWBLMTODSPFK-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(c2cn(C)c3ccc(C)cc23)CC1 ZINC000023450852 557356889 /nfs/dbraw/zinc/35/68/89/557356889.db2.gz YKQIJAGODGLQBJ-UHFFFAOYSA-N 0 0 446.978 6.728 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1F)CC2 ZINC000023451115 557357104 /nfs/dbraw/zinc/35/71/04/557357104.db2.gz GMLNWAXETVPBNG-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)cc(OC)c1 ZINC000023451677 557357119 /nfs/dbraw/zinc/35/71/19/557357119.db2.gz UGFCYSYCIWSDFZ-UHFFFAOYSA-N 0 0 447.922 5.344 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023451462 557357124 /nfs/dbraw/zinc/35/71/24/557357124.db2.gz LDSHOSKUYWUNBR-HXUWFJFHSA-N 0 0 435.571 5.984 50 0 IKAARN COc1ccc(CC(=O)N(Cc2nc3cc(Cl)ccc3o2)Cc2ccc(F)cc2)cc1 ZINC000023451163 557357154 /nfs/dbraw/zinc/35/71/54/557357154.db2.gz ZRHPLUHBEUAUHM-UHFFFAOYSA-N 0 0 438.886 5.400 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1Cc1ccccc1-2 ZINC000023451009 557357175 /nfs/dbraw/zinc/35/71/75/557357175.db2.gz CQMKYPVUOOYIOC-UHFFFAOYSA-N 0 0 431.435 5.767 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000023438880 557357336 /nfs/dbraw/zinc/35/73/36/557357336.db2.gz IFZTUMNHCFCQRP-XMMPIXPASA-N 0 0 436.939 5.845 50 0 IKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000023439229 557357393 /nfs/dbraw/zinc/35/73/93/557357393.db2.gz ACLQAMHSMFQCFT-AREMUKBSSA-N 0 0 431.532 5.063 50 0 biogenic IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)n1 ZINC000023438264 557357404 /nfs/dbraw/zinc/35/74/04/557357404.db2.gz QDWIXAXMBLXNFX-GOSISDBHSA-N 0 0 445.563 5.205 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Nc1ccccc1C)CC2 ZINC000023439775 557357705 /nfs/dbraw/zinc/35/77/05/557357705.db2.gz PKFASUBUQCOEHP-DEOSSOPVSA-N 0 0 436.939 5.845 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Cc1cccs1)CC2 ZINC000023439908 557357729 /nfs/dbraw/zinc/35/77/29/557357729.db2.gz HOVBNOZYMSNVDZ-QHCPKHFHSA-N 0 0 427.953 5.136 50 0 IKAARN CCCN(CC1CC1)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023440529 557357733 /nfs/dbraw/zinc/35/77/33/557357733.db2.gz OLACVOAHCURXNC-UHFFFAOYSA-N 0 0 434.536 5.190 50 0 IKAARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000102602881 557357772 /nfs/dbraw/zinc/35/77/72/557357772.db2.gz SYBSIRDXDUIKFS-OSPHWJPCSA-N 0 0 426.907 6.150 50 0 IKAARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000102602878 557357798 /nfs/dbraw/zinc/35/77/98/557357798.db2.gz SYBSIRDXDUIKFS-MZNJEOGPSA-N 0 0 426.907 6.150 50 0 IKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000023441020 557357923 /nfs/dbraw/zinc/35/79/23/557357923.db2.gz SCSIGFJUSPWZEZ-RUZDIDTESA-N 0 0 435.951 5.708 50 0 IKAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023441160 557357953 /nfs/dbraw/zinc/35/79/53/557357953.db2.gz HMDCCQMILRTOBP-NRFANRHFSA-N 0 0 447.909 6.740 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Nc1ccccc1F)CC2 ZINC000023441956 557358285 /nfs/dbraw/zinc/35/82/85/557358285.db2.gz VDEHRMFKTLIAFQ-QHCPKHFHSA-N 0 0 440.902 5.676 50 0 IKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000023441971 557358292 /nfs/dbraw/zinc/35/82/92/557358292.db2.gz AAWOGZKVLUIVJV-OAHLLOKOSA-N 0 0 439.533 5.346 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000023441969 557358325 /nfs/dbraw/zinc/35/83/25/557358325.db2.gz AAWOGZKVLUIVJV-HNNXBMFYSA-N 0 0 439.533 5.346 50 0 IKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2Cl)cc1 ZINC000023442558 557358376 /nfs/dbraw/zinc/35/83/76/557358376.db2.gz NGGFNVWEZTUIDG-VWLOTQADSA-N 0 0 435.951 5.708 50 0 IKAARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1 ZINC000023443589 557358515 /nfs/dbraw/zinc/35/85/15/557358515.db2.gz FWJMTACZOQURAM-XMMPIXPASA-N 0 0 437.923 5.154 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000023443250 557358603 /nfs/dbraw/zinc/35/86/03/557358603.db2.gz SSTSKBQRJVQFSC-QHCPKHFHSA-N 0 0 442.342 5.799 50 0 IKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3ccc(Cl)nc3)nc2c1 ZINC000023451964 557358608 /nfs/dbraw/zinc/35/86/08/557358608.db2.gz VAUYVIOBIHUCQO-UHFFFAOYSA-N 0 0 426.303 5.681 50 0 IKAARN CCOC(=O)c1nn(-c2ccc(C(=O)N3CCCC[C@@H]3CC)cc2)c2c1Cc1ccccc1-2 ZINC000023444641 557358630 /nfs/dbraw/zinc/35/86/30/557358630.db2.gz OLPBZNXLUOUCAU-FQEVSTJZSA-N 0 0 443.547 5.025 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)cc1 ZINC000023446248 557358982 /nfs/dbraw/zinc/35/89/82/557358982.db2.gz NGPVSZBXJFGVIK-INIZCTEOSA-N 0 0 431.923 5.897 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023447534 557359100 /nfs/dbraw/zinc/35/91/00/557359100.db2.gz CGDPDEHRSRKFEV-SFHVURJKSA-N 0 0 449.572 5.848 50 0 IKAARN Cc1ccc(CC(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023452006 557359211 /nfs/dbraw/zinc/35/92/11/557359211.db2.gz XBMKKLUYQOGQMP-UHFFFAOYSA-N 0 0 427.523 5.557 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)c1 ZINC000023446809 557359259 /nfs/dbraw/zinc/35/92/59/557359259.db2.gz NVFCCYMAYBPDOC-MRXNPFEDSA-N 0 0 431.923 5.897 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)n[nH]2)c1 ZINC000023448005 557359505 /nfs/dbraw/zinc/35/95/05/557359505.db2.gz SOGZMTWADCHKMV-UHFFFAOYSA-N 0 0 435.886 5.475 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000023447957 557359531 /nfs/dbraw/zinc/35/95/31/557359531.db2.gz ONBUPQPGJQKOHH-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023447802 557359552 /nfs/dbraw/zinc/35/95/52/557359552.db2.gz IVUINMAWSIMIKU-DEOSSOPVSA-N 0 0 439.914 5.593 50 0 IKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1 ZINC000023458919 557359710 /nfs/dbraw/zinc/35/97/10/557359710.db2.gz UVSPGGHGTCNRKS-UHFFFAOYSA-N 0 0 449.432 5.585 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1 ZINC000023458530 557359719 /nfs/dbraw/zinc/35/97/19/557359719.db2.gz BMCGGRCRLFMPME-UHFFFAOYSA-N 0 0 434.898 6.023 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1C)n2Cc1ccccn1 ZINC000023458807 557359782 /nfs/dbraw/zinc/35/97/82/557359782.db2.gz YHJOBWIVHRXZJK-UHFFFAOYSA-N 0 0 431.561 5.565 50 0 IKAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N(C)Cc4ccccc4)c3)n2)o1 ZINC000023458847 557359822 /nfs/dbraw/zinc/35/98/22/557359822.db2.gz CCIPTYVLTWSLMR-UHFFFAOYSA-N 0 0 443.551 5.092 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1-c1ccc(F)cc1 ZINC000023459448 557360046 /nfs/dbraw/zinc/36/00/46/557360046.db2.gz HFVIUWSFJRPZPS-UHFFFAOYSA-N 0 0 430.523 6.645 50 0 IKAARN COc1ccc(-c2ccc3nc(-c4cccc(Br)c4)oc3c2)c(OC)c1OC ZINC000023459819 557360122 /nfs/dbraw/zinc/36/01/22/557360122.db2.gz APMJUFFDNVTDSE-UHFFFAOYSA-N 0 0 440.293 5.950 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cccnc2)n1 ZINC000102625309 557360139 /nfs/dbraw/zinc/36/01/39/557360139.db2.gz DATGARPAGHMVFF-MHECFPHRSA-N 0 0 440.503 5.219 50 0 IKAARN CCOc1ccc(-c2nc3ccccc3c(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000023459335 557360147 /nfs/dbraw/zinc/36/01/47/557360147.db2.gz GMSACMFSHDNOFM-UHFFFAOYSA-N 0 0 428.511 5.161 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000023459776 557360163 /nfs/dbraw/zinc/36/01/63/557360163.db2.gz QXRKWEBIAXQOIT-UHFFFAOYSA-N 0 0 425.385 5.950 50 0 IKAARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)c1ccc(Cl)cc1 ZINC000023460104 557360244 /nfs/dbraw/zinc/36/02/44/557360244.db2.gz OIHRRFPLQJNMCT-UHFFFAOYSA-N 0 0 442.902 6.093 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000023460083 557360307 /nfs/dbraw/zinc/36/03/07/557360307.db2.gz HWNQWLBGFSWJRH-UHFFFAOYSA-N 0 0 425.385 5.950 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1)n2Cc1cccc(F)c1 ZINC000023460058 557360366 /nfs/dbraw/zinc/36/03/66/557360366.db2.gz ZBDXXYUTZNFXCH-UHFFFAOYSA-N 0 0 438.499 5.832 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n2Cc1ccccn1 ZINC000023460125 557360412 /nfs/dbraw/zinc/36/04/12/557360412.db2.gz CPVASHLPNWUYIH-UHFFFAOYSA-N 0 0 437.952 5.602 50 0 IKAARN O=C(Cc1ccc(F)cc1)Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000023460494 557360586 /nfs/dbraw/zinc/36/05/86/557360586.db2.gz AVDGYZUWDALGQL-UHFFFAOYSA-N 0 0 440.474 5.507 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000023460885 557360621 /nfs/dbraw/zinc/36/06/21/557360621.db2.gz JUSZUVRRGHWULD-UHFFFAOYSA-N 0 0 426.278 6.238 50 0 IKAARN COc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000023461201 557360849 /nfs/dbraw/zinc/36/08/49/557360849.db2.gz GGECOWWZRJIBFK-UHFFFAOYSA-N 0 0 432.426 5.646 50 0 IKAARN O=C(c1csc2ccccc12)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023461088 557360886 /nfs/dbraw/zinc/36/08/86/557360886.db2.gz FSVVFNILACDEHM-RUZDIDTESA-N 0 0 447.003 6.102 50 0 IKAARN COc1cc2nc(-c3ccc(C)o3)cc(C(=O)NCc3cc(C)cc(C)c3)c2cc1OC ZINC000023461280 557360902 /nfs/dbraw/zinc/36/09/02/557360902.db2.gz DPKQUIFAHYQBEH-UHFFFAOYSA-N 0 0 430.504 5.367 50 0 IKAARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000102648175 557360871 /nfs/dbraw/zinc/36/08/71/557360871.db2.gz ACWAEVCSYLUJHP-ZTOMLWHTSA-N 0 0 436.599 7.922 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCc4c(C)cccc4Cl)c3)n2)o1 ZINC000023461114 557360913 /nfs/dbraw/zinc/36/09/13/557360913.db2.gz LLGCARHTQTVGBY-UHFFFAOYSA-N 0 0 449.942 5.246 50 0 IKAARN COc1ccc(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)c(OC)c1OC ZINC000023461139 557360933 /nfs/dbraw/zinc/36/09/33/557360933.db2.gz VUBJKTDFFNRKHO-UHFFFAOYSA-N 0 0 429.394 6.206 50 0 IKAARN CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000102647890 557361002 /nfs/dbraw/zinc/36/10/02/557361002.db2.gz IPFRZMXQXVUYEQ-AREMUKBSSA-N 0 0 432.564 6.678 50 0 IKAARN CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000102647893 557361023 /nfs/dbraw/zinc/36/10/23/557361023.db2.gz IPFRZMXQXVUYEQ-SANMLTNESA-N 0 0 432.564 6.678 50 0 IKAARN O=C(c1nc2ccccc2s1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023461855 557361247 /nfs/dbraw/zinc/36/12/47/557361247.db2.gz ZSUIHNPMCIBIPG-HSZRJFAPSA-N 0 0 447.991 5.497 50 0 IKAARN Clc1ccc2oc(SCc3csc(Cc4ccc(Cl)c(Cl)c4)n3)nc2c1 ZINC000023453247 557361494 /nfs/dbraw/zinc/36/14/94/557361494.db2.gz LTALUDMQYHADMN-UHFFFAOYSA-N 0 0 441.792 7.128 50 0 IKAARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)CCc2ccccc2)cc1 ZINC000023453220 557361577 /nfs/dbraw/zinc/36/15/77/557361577.db2.gz OFBLXJYNJGGVKM-UHFFFAOYSA-N 0 0 431.923 5.773 50 0 IKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000102650672 557361667 /nfs/dbraw/zinc/36/16/67/557361667.db2.gz RSKLBVAJBPWPTQ-RUZDIDTESA-N 0 0 436.983 7.323 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000023454108 557361828 /nfs/dbraw/zinc/36/18/28/557361828.db2.gz VCQBWZGGZLRFNT-UHFFFAOYSA-N 0 0 445.906 5.098 50 0 IKAARN O=C(c1cc(F)cc(F)c1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023454269 557361854 /nfs/dbraw/zinc/36/18/54/557361854.db2.gz GTVQVBMVQAGTRL-UHFFFAOYSA-N 0 0 430.813 5.741 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc2ccccc2c1 ZINC000023454779 557362208 /nfs/dbraw/zinc/36/22/08/557362208.db2.gz GQXVTAKHWZLMJP-UHFFFAOYSA-N 0 0 448.588 6.085 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1cccc(Cl)c1 ZINC000102664226 557362252 /nfs/dbraw/zinc/36/22/52/557362252.db2.gz CIGNDKGUGDYVTN-FQEVSTJZSA-N 0 0 436.968 6.546 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3csc4ccccc34)CC2)cc1 ZINC000023455689 557362450 /nfs/dbraw/zinc/36/24/50/557362450.db2.gz FQPBBLNBOVWGCU-AREMUKBSSA-N 0 0 426.585 5.757 50 0 IKAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102667098 557362567 /nfs/dbraw/zinc/36/25/67/557362567.db2.gz AGNJPSRFCATBJL-BUXKBTBVSA-N 0 0 446.379 5.640 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(-c2cc(-c3cccc4c3OCCO4)[nH]n2)cc1 ZINC000023456892 557362621 /nfs/dbraw/zinc/36/26/21/557362621.db2.gz BFTCHTQTQCUKQG-UHFFFAOYSA-N 0 0 445.906 5.098 50 0 IKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3cc(F)cc(F)c3)nc2c1 ZINC000023456646 557362635 /nfs/dbraw/zinc/36/26/35/557362635.db2.gz VABDZZKYMJVWOA-UHFFFAOYSA-N 0 0 428.385 5.535 50 0 IKAARN COc1ccc(-c2nc(CNC(=O)c3c(C)noc3-c3ccccc3Cl)c(C)o2)cc1 ZINC000023456643 557362647 /nfs/dbraw/zinc/36/26/47/557362647.db2.gz YLTLXFBJZZZFDT-UHFFFAOYSA-N 0 0 437.883 5.205 50 0 IKAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102665812 557362626 /nfs/dbraw/zinc/36/26/26/557362626.db2.gz WOUXPYKSHMSUPC-PEBXRYMYSA-N 0 0 436.899 5.014 50 0 IKAARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102667103 557362653 /nfs/dbraw/zinc/36/26/53/557362653.db2.gz AGNJPSRFCATBJL-BLVKFPJESA-N 0 0 446.379 5.640 50 0 IKAARN O=C(c1ccc(Cl)nc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1cccc(Cl)c1 ZINC000023456985 557362690 /nfs/dbraw/zinc/36/26/90/557362690.db2.gz LRAYSIDVKQOZAV-UHFFFAOYSA-N 0 0 446.721 6.026 50 0 IKAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023456941 557362709 /nfs/dbraw/zinc/36/27/09/557362709.db2.gz OMDOJROIGZYLNJ-QFIPXVFZSA-N 0 0 448.353 6.468 50 0 IKAARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000102671297 557362791 /nfs/dbraw/zinc/36/27/91/557362791.db2.gz HTLLYNIQBSCNJA-ZTOMLWHTSA-N 0 0 438.571 7.129 50 0 IKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000102673518 557362819 /nfs/dbraw/zinc/36/28/19/557362819.db2.gz YCTKTUKPUOEWDH-BXKMTCNYSA-N 0 0 426.907 6.150 50 0 IKAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCc4cccc(C)c4)c3)n2)o1 ZINC000023457541 557362859 /nfs/dbraw/zinc/36/28/59/557362859.db2.gz JXOZFRWUTOSXIM-UHFFFAOYSA-N 0 0 443.551 5.058 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1C)n2Cc1ccccc1 ZINC000023457424 557362863 /nfs/dbraw/zinc/36/28/63/557362863.db2.gz XTEDIUUKZJJGKW-UHFFFAOYSA-N 0 0 430.573 6.170 50 0 IKAARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102675037 557363146 /nfs/dbraw/zinc/36/31/46/557363146.db2.gz PYFVFXDWBJAACS-OYHNWAKOSA-N 0 0 436.899 5.101 50 0 IKAARN O=C(COc1ccccc1)Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000023457842 557363281 /nfs/dbraw/zinc/36/32/81/557363281.db2.gz HZDXFEIKSFQHSN-UHFFFAOYSA-N 0 0 438.483 5.204 50 0 IKAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023457955 557363302 /nfs/dbraw/zinc/36/33/02/557363302.db2.gz PKDQYDYGHXHAIL-JOCHJYFZSA-N 0 0 447.460 6.180 50 0 IKAARN Cc1ccc([C@H](C)C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023457624 557363323 /nfs/dbraw/zinc/36/33/23/557363323.db2.gz HTPJUOHMHUNTLF-FQEVSTJZSA-N 0 0 441.550 6.118 50 0 IKAARN Cc1cccn2cc(CSc3nnc(Cc4cccs4)n3CCc3ccccc3)nc12 ZINC000023473114 557363610 /nfs/dbraw/zinc/36/36/10/557363610.db2.gz BKBWTQWTPFGYSP-UHFFFAOYSA-N 0 0 445.617 5.422 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000102688880 557363969 /nfs/dbraw/zinc/36/39/69/557363969.db2.gz RZKSATDHOQETOI-GGAORHGYSA-N 0 0 427.306 6.683 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc2c(c1)C(N1CCOCC1)=Nc1cc(Cl)ccc1O2 ZINC000102696261 557365098 /nfs/dbraw/zinc/36/50/98/557365098.db2.gz IZEGMQKKVFHCCG-UHFFFAOYSA-N 0 0 447.922 5.037 50 0 IKAARN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102702087 557365750 /nfs/dbraw/zinc/36/57/50/557365750.db2.gz QMJPXRTYIUZVBT-XLFHBGCDSA-N 0 0 436.340 5.233 50 0 IKAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CSc3c[nH]c4ccccc43)C2)n1 ZINC000220821397 557367566 /nfs/dbraw/zinc/36/75/66/557367566.db2.gz GJKLGBXZZIMFPU-GOSISDBHSA-N 0 0 446.576 5.100 50 0 IKAARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102709193 557367627 /nfs/dbraw/zinc/36/76/27/557367627.db2.gz SBXXZWYDZDXGMP-JIMJEQGWSA-N 0 0 434.495 5.199 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CCc1ccc(-c3ccccc3)o1)C[C@H](C)CC2 ZINC000011689920 557368461 /nfs/dbraw/zinc/36/84/61/557368461.db2.gz YYCNLXWTKWNYIV-MRXNPFEDSA-N 0 0 437.561 5.881 50 0 IKAARN CSc1ccc([C@@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000524729698 557368778 /nfs/dbraw/zinc/36/87/78/557368778.db2.gz FIRDFFHOSKEHBX-HSZRJFAPSA-N 0 0 445.588 5.219 50 0 biogenic IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000102720322 557368867 /nfs/dbraw/zinc/36/88/67/557368867.db2.gz OCXXIVZWHUWTGY-UPCLLVRISA-N 0 0 446.503 5.617 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000102720329 557368915 /nfs/dbraw/zinc/36/89/15/557368915.db2.gz OCXXIVZWHUWTGY-GYCJOSAFSA-N 0 0 446.503 5.617 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102723267 557369173 /nfs/dbraw/zinc/36/91/73/557369173.db2.gz VFLVERBIEIQBPN-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C)cs2)cc1OC ZINC000023638600 557369472 /nfs/dbraw/zinc/36/94/72/557369472.db2.gz SMLWXTUZPNUPJS-UHFFFAOYSA-N 0 0 442.541 5.054 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N([C@@H](C)CCCC(C)C)CC3=O)n2)cc1OC ZINC000102725741 557369522 /nfs/dbraw/zinc/36/95/22/557369522.db2.gz VQXANEXPLMSCRK-HNNXBMFYSA-N 0 0 429.586 5.604 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(Nc4ccccc4)s3)cs2)cc1OC ZINC000023639567 557369557 /nfs/dbraw/zinc/36/95/57/557369557.db2.gz TWMYPVOSCHUJDJ-UHFFFAOYSA-N 0 0 442.591 5.715 50 0 IKAARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)c1OC ZINC000102725787 557369917 /nfs/dbraw/zinc/36/99/17/557369917.db2.gz UXSDIDRCXAHRPZ-NYHFZMIOSA-N 0 0 432.476 5.314 50 0 IKAARN Oc1cc2c(cc1-c1c3cc4c(cc3oc1-c1cc(F)c(F)cc1F)OCO4)OCO2 ZINC000524731872 557370178 /nfs/dbraw/zinc/37/01/78/557370178.db2.gz NFKOJGYBIVUAEC-UHFFFAOYSA-N 0 0 428.318 5.347 50 0 biogenic IKAARN CC(=O)N(c1nc(COC(=O)c2ccc(Cl)cc2O)cs1)c1cccc(Cl)c1 ZINC000023645124 557370191 /nfs/dbraw/zinc/37/01/91/557370191.db2.gz NDLHSMLDYDGXHG-UHFFFAOYSA-N 0 0 437.304 5.197 50 0 IKAARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102727559 557370343 /nfs/dbraw/zinc/37/03/43/557370343.db2.gz MYRHAKXGORPFSA-ZSEKCTLFSA-N 0 0 441.314 6.603 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102728071 557370588 /nfs/dbraw/zinc/37/05/88/557370588.db2.gz IKXHSWHUXBQRKK-CCDWMCETSA-N 0 0 438.458 5.030 50 0 IKAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc2oc(=O)ccc2c1 ZINC000102728423 557370597 /nfs/dbraw/zinc/37/05/97/557370597.db2.gz KLQVPYHSTWSION-UHFFFAOYSA-N 0 0 435.892 5.336 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(Cc4ccccc4Cl)CC3=O)n2)cc1OC ZINC000102728749 557370615 /nfs/dbraw/zinc/37/06/15/557370615.db2.gz ZRYUGFLVKOLCLY-UHFFFAOYSA-N 0 0 441.940 5.243 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)cc2)cc1OC ZINC000102728025 557370618 /nfs/dbraw/zinc/37/06/18/557370618.db2.gz CKOWHYRAUUEWKP-MWTRTKDXSA-N 0 0 432.476 5.314 50 0 IKAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220918029 557370893 /nfs/dbraw/zinc/37/08/93/557370893.db2.gz GYVDLEVBWPJKPH-OAHLLOKOSA-N 0 0 436.512 5.027 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524734644 557370904 /nfs/dbraw/zinc/37/09/04/557370904.db2.gz XUMMOBJDHDPRKC-HSZRJFAPSA-N 0 0 447.966 5.541 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@H](C(C)C)O[C@@H]2C(C)C ZINC000524733564 557371141 /nfs/dbraw/zinc/37/11/41/557371141.db2.gz WCOFHAMHJJNIMX-UYAOXDASSA-N 0 0 445.581 5.480 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524735509 557371239 /nfs/dbraw/zinc/37/12/39/557371239.db2.gz GQAKJZTVKXZKKR-XZOQPEGZSA-N 0 0 432.593 5.823 50 0 IKAARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000102731582 557371441 /nfs/dbraw/zinc/37/14/41/557371441.db2.gz YWUHXCWFBDRRAC-SPLOXXLWSA-N 0 0 425.315 6.898 50 0 IKAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1OC ZINC000102731728 557371541 /nfs/dbraw/zinc/37/15/41/557371541.db2.gz CYLUTXFFSVLOFB-HJPURHCSSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N([C@@H](C)CCc4ccccc4)CC3=O)n2)cc1OC ZINC000102731865 557371743 /nfs/dbraw/zinc/37/17/43/557371743.db2.gz COWGMRQKVADLBA-INIZCTEOSA-N 0 0 449.576 5.411 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4C(C)C)CC3=O)n2)cc1OC ZINC000102731967 557371775 /nfs/dbraw/zinc/37/17/75/557371775.db2.gz UVZPFNXSDFZJFV-UHFFFAOYSA-N 0 0 435.549 5.717 50 0 IKAARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000102734313 557372487 /nfs/dbraw/zinc/37/24/87/557372487.db2.gz VACQXHYEZVDZLT-JPYJTQIMSA-N 0 0 444.487 5.386 50 0 IKAARN Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102718136 557375144 /nfs/dbraw/zinc/37/51/44/557375144.db2.gz NEGSYGMGTQLUEP-SZNDQCEHSA-N 0 0 441.314 6.603 50 0 IKAARN COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000102718906 557375257 /nfs/dbraw/zinc/37/52/57/557375257.db2.gz CVVXFOSGVKKCCL-JOCHJYFZSA-N 0 0 431.492 5.118 50 0 IKAARN Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102718134 557375310 /nfs/dbraw/zinc/37/53/10/557375310.db2.gz NEGSYGMGTQLUEP-QKKBWIMNSA-N 0 0 441.314 6.603 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102717188 557375322 /nfs/dbraw/zinc/37/53/22/557375322.db2.gz QNLQEZCOMBQHPE-IPMKNSEASA-N 0 0 445.327 5.106 50 0 IKAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc2c(c1)OCCO2 ZINC000102719192 557375595 /nfs/dbraw/zinc/37/55/95/557375595.db2.gz MVZBGEKCHCHTIW-UHFFFAOYSA-N 0 0 425.897 5.001 50 0 IKAARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc(OC)c1O ZINC000102720021 557375636 /nfs/dbraw/zinc/37/56/36/557375636.db2.gz ZWMDKRHPXHNYDG-PEBXRYMYSA-N 0 0 448.475 5.019 50 0 IKAARN FC(F)Oc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1OC(F)F ZINC000102763417 557380829 /nfs/dbraw/zinc/38/08/29/557380829.db2.gz LPYRUXFMXCHTQB-AWEZNQCLSA-N 0 0 440.784 5.190 50 0 IKAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 ZINC000102752837 557383495 /nfs/dbraw/zinc/38/34/95/557383495.db2.gz LDNOEDBPXLUFCK-UBFVSLLYSA-N 0 0 440.543 5.344 50 0 IKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCc4ccc(Cl)cc4)c(=O)oc3c2C)c1C ZINC000011691864 557385068 /nfs/dbraw/zinc/38/50/68/557385068.db2.gz YXVJASXRUFDKDQ-UHFFFAOYSA-N 0 0 437.923 5.675 50 0 IKAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCCC1)c1ccc(Br)cc1 ZINC000011692239 557388368 /nfs/dbraw/zinc/38/83/68/557388368.db2.gz RMVFASDZVYRYAP-UHFFFAOYSA-N 0 0 427.294 5.086 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000102794954 557388760 /nfs/dbraw/zinc/38/87/60/557388760.db2.gz AMXDNQZXRRXBDM-NRFANRHFSA-N 0 0 432.321 5.863 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cc(Br)ccc3F)C2)cc1 ZINC000102799595 557389684 /nfs/dbraw/zinc/38/96/84/557389684.db2.gz UMHCHSRXBMBLCA-JOCHJYFZSA-N 0 0 434.312 6.302 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 ZINC000024023329 557391517 /nfs/dbraw/zinc/39/15/17/557391517.db2.gz UYMPIVLSOKJFPI-UHFFFAOYSA-N 0 0 425.492 5.533 50 0 IKAARN O[C@]1(c2ccccc2)c2cc(Cl)ccc2N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000034074896 557393360 /nfs/dbraw/zinc/39/33/60/557393360.db2.gz LVCURTBKNKRJPS-AREMUKBSSA-N 0 0 445.349 6.785 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000102830453 557394018 /nfs/dbraw/zinc/39/40/18/557394018.db2.gz MIEJPGXSMSNVDK-SGLMEMEBSA-N 0 0 440.341 5.416 50 0 IKAARN CCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000102873816 557396087 /nfs/dbraw/zinc/39/60/87/557396087.db2.gz UVHLZDGLNSPZSM-SANMLTNESA-N 0 0 432.564 6.678 50 0 IKAARN CCOc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nc(-c3ccccc3)nn21 ZINC000102875529 557396812 /nfs/dbraw/zinc/39/68/12/557396812.db2.gz QLDHWJYEIRVHRF-QFIPXVFZSA-N 0 0 428.923 6.053 50 0 IKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 ZINC000013946117 557397180 /nfs/dbraw/zinc/39/71/80/557397180.db2.gz WTDKOCYPNDUYDW-UHFFFAOYSA-N 0 0 426.907 6.042 50 0 IKAARN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Br)c1 ZINC000013940330 557397185 /nfs/dbraw/zinc/39/71/85/557397185.db2.gz PRPGOAGEXHFWTH-UHFFFAOYSA-N 0 0 436.655 5.756 50 0 IKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NCCCn1ccnc1 ZINC000033435943 557397589 /nfs/dbraw/zinc/39/75/89/557397589.db2.gz BGQQFRMLVWIOIS-UHFFFAOYSA-N 0 0 427.335 5.169 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1C(C)C ZINC000013956181 557398188 /nfs/dbraw/zinc/39/81/88/557398188.db2.gz OXJIFJZKTXUCPD-UHFFFAOYSA-N 0 0 448.592 5.522 50 0 IKAARN Cc1cc2c(cc1C)N[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102858305 557399139 /nfs/dbraw/zinc/39/91/39/557399139.db2.gz FHHJRYBHDMQRIE-MUUNZHRXSA-N 0 0 438.571 7.967 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000033456516 557399238 /nfs/dbraw/zinc/39/92/38/557399238.db2.gz MVJSHACVBUOGCS-CKOAPEAFSA-N 0 0 437.326 6.297 50 0 IKAARN O=C1OC(=CNc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)c2ccccc21 ZINC000100334701 557400209 /nfs/dbraw/zinc/40/02/09/557400209.db2.gz UYZVTHAZUASFPO-WQRHYEAKSA-N 0 0 432.785 6.127 50 0 IKAARN CCCCc1ccc(C(=O)N(CC(=O)N(CCCC)Cc2cccn2C)C(C)C)cc1 ZINC000004876298 557400290 /nfs/dbraw/zinc/40/02/90/557400290.db2.gz JCPJWEQAXSSMEC-UHFFFAOYSA-N 0 0 425.617 5.047 50 0 IKAARN O=C1SC(=CNc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c2ccccc21 ZINC000100408524 557401834 /nfs/dbraw/zinc/40/18/34/557401834.db2.gz YYCRAJLWNPDHJI-WQRHYEAKSA-N 0 0 448.853 6.844 50 0 IKAARN COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2Cc1ccccc1 ZINC000033495425 557402089 /nfs/dbraw/zinc/40/20/89/557402089.db2.gz NBACVQXHBUPVJK-UHFFFAOYSA-N 0 0 448.522 6.117 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1 ZINC000100429430 557402409 /nfs/dbraw/zinc/40/24/09/557402409.db2.gz CLGJGVPRZABLNA-MYUZEXMDSA-N 0 0 442.515 6.248 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)C(N1CCCCC1)=Nc1ccccc1O2)c1ccccc1 ZINC000102862309 557402935 /nfs/dbraw/zinc/40/29/35/557402935.db2.gz JTQDMEYOLGYQNI-JOCHJYFZSA-N 0 0 439.559 6.489 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)[C@@H]1C ZINC000004904830 557402998 /nfs/dbraw/zinc/40/29/98/557402998.db2.gz DXQXKCUFSHUQGB-HMFYCAOWSA-N 0 0 433.596 5.553 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1C ZINC000004903340 557403036 /nfs/dbraw/zinc/40/30/36/557403036.db2.gz RPCGJJVGQBZWLJ-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN C[C@@H](NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N)C12CC3CC(CC(C3)C1)C2 ZINC000033508750 557403059 /nfs/dbraw/zinc/40/30/59/557403059.db2.gz CILWDJWWXIKQPN-JZBBYPHDSA-N 0 0 432.593 5.275 50 0 IKAARN COc1ccc(CNC(=O)c2cc(Nc3ccc(C(C)C)cc3)nc3ccccc32)cc1 ZINC000004911578 557403628 /nfs/dbraw/zinc/40/36/28/557403628.db2.gz OOSMEOHSWDESBC-UHFFFAOYSA-N 0 0 425.532 6.040 50 0 IKAARN Cc1cc(C)c(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCCCC2)c(C)c1 ZINC000004912849 557403980 /nfs/dbraw/zinc/40/39/80/557403980.db2.gz BNFZNPVDWAENLC-UHFFFAOYSA-N 0 0 433.665 7.025 50 0 IKAARN CCn1cc(CN(C(=S)Nc2cccc(C)c2C)C2CCCCCC2)c2ccccc21 ZINC000004914129 557404324 /nfs/dbraw/zinc/40/43/24/557404324.db2.gz UHVVYLAARXELGZ-UHFFFAOYSA-N 0 0 433.665 7.200 50 0 IKAARN Cc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCCC2)cc1Cl ZINC000004912393 557404374 /nfs/dbraw/zinc/40/43/74/557404374.db2.gz QOZGNOUJDDEIIT-UHFFFAOYSA-N 0 0 426.029 6.672 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000102876677 557406351 /nfs/dbraw/zinc/40/63/51/557406351.db2.gz KEOYABRPFHVFFV-SANMLTNESA-N 0 0 440.518 6.932 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccc(F)c1 ZINC000102876679 557406454 /nfs/dbraw/zinc/40/64/54/557406454.db2.gz KEOYABRPFHVFFV-AREMUKBSSA-N 0 0 440.518 6.932 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000102878253 557407018 /nfs/dbraw/zinc/40/70/18/557407018.db2.gz TVTRBAXBXFBBBM-VWLOTQADSA-N 0 0 434.536 5.906 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000102879462 557407515 /nfs/dbraw/zinc/40/75/15/557407515.db2.gz ALOQVMRNBVOCJP-QHCPKHFHSA-N 0 0 432.955 6.706 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000102879461 557407518 /nfs/dbraw/zinc/40/75/18/557407518.db2.gz ALOQVMRNBVOCJP-HSZRJFAPSA-N 0 0 432.955 6.706 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000102925164 557409742 /nfs/dbraw/zinc/40/97/42/557409742.db2.gz ITDRVXPRQKGHKR-LJQANCHMSA-N 0 0 445.544 6.113 50 0 IKAARN Cc1c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000100500446 557411373 /nfs/dbraw/zinc/41/13/73/557411373.db2.gz YSDKLJLQBNLZIB-RQZHXJHFSA-N 0 0 438.556 5.236 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc3ccccc31)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000102983007 557414835 /nfs/dbraw/zinc/41/48/35/557414835.db2.gz YAFPRMDPAABEAK-HNJSLSPMSA-N 0 0 429.519 6.083 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000103087738 557417277 /nfs/dbraw/zinc/41/72/77/557417277.db2.gz DQGDTCJGHWXRNJ-SOLBZPMBSA-N 0 0 440.897 5.602 50 0 IKAARN FC(F)(F)C1(SCCSC2(C(F)(F)F)SCCS2)SCCS1 ZINC000004963759 557417622 /nfs/dbraw/zinc/41/76/22/557417622.db2.gz PIDQBYXUBNDCOH-UHFFFAOYSA-N 0 0 438.596 5.845 50 0 IKAARN Cc1ccc(NC(=O)N2CCCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000103071899 557418034 /nfs/dbraw/zinc/41/80/34/557418034.db2.gz AUIUAKGSHUXMIO-UHFFFAOYSA-N 0 0 426.520 5.419 50 0 IKAARN CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000526052251 557422527 /nfs/dbraw/zinc/42/25/27/557422527.db2.gz KCYRFNSTCXJERK-VWLOTQADSA-N 0 0 448.526 6.079 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000103177143 557425568 /nfs/dbraw/zinc/42/55/68/557425568.db2.gz IELBFTGGLDGNHY-ZCYQVOJMSA-N 0 0 432.545 5.668 50 0 IKAARN Cc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCc4ccccc4C3)n12 ZINC000103207866 557433430 /nfs/dbraw/zinc/43/34/30/557433430.db2.gz LUZXWXOHFNZCDR-UHFFFAOYSA-N 0 0 425.923 5.469 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccco1 ZINC000103523479 557438421 /nfs/dbraw/zinc/43/84/21/557438421.db2.gz KOMGXIFITASVFW-SANMLTNESA-N 0 0 426.516 6.315 50 0 IKAARN CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1 ZINC000103890311 557442303 /nfs/dbraw/zinc/44/23/03/557442303.db2.gz PRWUKRXYJYHDLH-WHLCRQNOSA-N 0 0 440.543 6.723 50 0 IKAARN CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1 ZINC000103890305 557442354 /nfs/dbraw/zinc/44/23/54/557442354.db2.gz PRWUKRXYJYHDLH-GDJIYFAZSA-N 0 0 440.543 6.723 50 0 IKAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000103993664 557447060 /nfs/dbraw/zinc/44/70/60/557447060.db2.gz HQRGVXJEBXMEEN-UZUQRXQVSA-N 0 0 431.561 5.678 50 0 IKAARN Cc1nc(/C=C/C(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)cs1 ZINC000014779917 557449429 /nfs/dbraw/zinc/44/94/29/557449429.db2.gz QVEAEXRYBAAPRT-BQYQJAHWSA-N 0 0 446.479 5.794 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000104077751 557449838 /nfs/dbraw/zinc/44/98/38/557449838.db2.gz PVJKNBRRRAQJIF-PIIWDFAUSA-N 0 0 440.518 6.704 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)N1CCOCC1 ZINC000096278563 557450381 /nfs/dbraw/zinc/45/03/81/557450381.db2.gz UFZHLSKYRNMQCV-RUZDIDTESA-N 0 0 430.592 5.602 50 0 IKAARN COc1ccc([C@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000104131672 557450928 /nfs/dbraw/zinc/45/09/28/557450928.db2.gz HRULZSQFVHKDPZ-JOCHJYFZSA-N 0 0 446.507 5.441 50 0 IKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000104153319 557451341 /nfs/dbraw/zinc/45/13/41/557451341.db2.gz CHYODOHQZJRDOV-JOCHJYFZSA-N 0 0 428.454 6.518 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC ZINC000104158632 557451647 /nfs/dbraw/zinc/45/16/47/557451647.db2.gz RARIFBVFOAQOEU-NGOKVRLYSA-N 0 0 440.543 6.641 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccccc1 ZINC000104171799 557452121 /nfs/dbraw/zinc/45/21/21/557452121.db2.gz TWLBOFDAPGQBON-PPHZAIPVSA-N 0 0 426.491 6.396 50 0 IKAARN C/C(=C/c1ccccc1)[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000104240513 557453815 /nfs/dbraw/zinc/45/38/15/557453815.db2.gz BAQVUCVADXCJET-ULOIVOIOSA-N 0 0 434.543 6.123 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000014801964 557456932 /nfs/dbraw/zinc/45/69/32/557456932.db2.gz HVTLYSHZNVBTIO-XMMPIXPASA-N 0 0 427.485 5.062 50 0 IKAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1sc2cc(F)ccc2c1Cl ZINC000014802287 557457046 /nfs/dbraw/zinc/45/70/46/557457046.db2.gz XTQFSCIDVGWGEJ-UHFFFAOYSA-N 0 0 426.904 5.490 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)n1 ZINC000104959655 557469533 /nfs/dbraw/zinc/46/95/33/557469533.db2.gz PGWJLGRDFVKUOP-QZTJIDSGSA-N 0 0 425.960 5.620 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@H](C)c2ccccc2)n1 ZINC000104966339 557469776 /nfs/dbraw/zinc/46/97/76/557469776.db2.gz CWTKERSXQYGZCC-IAGOWNOFSA-N 0 0 427.495 5.245 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1I ZINC000016450324 557474239 /nfs/dbraw/zinc/47/42/39/557474239.db2.gz ULIJQSYCUGUCGU-UHFFFAOYSA-N 0 0 435.305 5.356 50 0 IKAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000005736998 557475616 /nfs/dbraw/zinc/47/56/16/557475616.db2.gz VOUYQVCTURYMDU-NRFANRHFSA-N 0 0 429.586 5.438 50 0 IKAARN CC(=O)c1sc(N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)nc1C ZINC000051330466 557507335 /nfs/dbraw/zinc/50/73/35/557507335.db2.gz LWCCFKSLVJUWCE-QGHSMGFHSA-N 0 0 427.573 6.455 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 ZINC000105833355 557511364 /nfs/dbraw/zinc/51/13/64/557511364.db2.gz MCMCHPQIQKPIKU-XCZPVHLTSA-N 0 0 436.942 7.249 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000105833426 557511470 /nfs/dbraw/zinc/51/14/70/557511470.db2.gz XGQUTMJLDSGZSQ-NFBKMPQASA-N 0 0 435.321 5.700 50 0 IKAARN FC(F)Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000105833432 557511668 /nfs/dbraw/zinc/51/16/68/557511668.db2.gz SYYYXSMEMGDUPA-SIKLNZKXSA-N 0 0 426.850 6.184 50 0 IKAARN CCC1CCC(c2ccc(C3=N/C(=C/c4cccc(Cl)c4Cl)C(=O)O3)cc2)CC1 ZINC000002930295 557522872 /nfs/dbraw/zinc/52/28/72/557522872.db2.gz WIDKWGXEQAIISN-KGENOOAVSA-N 0 0 428.359 7.022 50 0 IKAARN Cc1ccc(CN(C(=O)/C=C/c2cccs2)C2(C(=O)Nc3ccccc3)CCCC2)cc1 ZINC000003339070 557525141 /nfs/dbraw/zinc/52/51/41/557525141.db2.gz SGJCMEMUBMZYDB-FOCLMDBBSA-N 0 0 444.600 6.050 50 0 IKAARN CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCCc1ccccc1 ZINC000012062868 557525876 /nfs/dbraw/zinc/52/58/76/557525876.db2.gz AGHDEJBSHULKCK-FOCLMDBBSA-N 0 0 426.453 5.391 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OC ZINC000012062899 557525907 /nfs/dbraw/zinc/52/59/07/557525907.db2.gz FYUGESLOHBVHLD-QHCPKHFHSA-N 0 0 435.520 5.244 50 0 IKAARN Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1C ZINC000012062284 557526298 /nfs/dbraw/zinc/52/62/98/557526298.db2.gz PVFFLZYUVMERPF-UHFFFAOYSA-N 0 0 437.609 5.083 50 0 IKAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1C ZINC000012062316 557526303 /nfs/dbraw/zinc/52/63/03/557526303.db2.gz NRBMOODKNOXGHP-UHFFFAOYSA-N 0 0 437.609 5.083 50 0 IKAARN Cc1cc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)ccc1Cl ZINC000012062265 557526440 /nfs/dbraw/zinc/52/64/40/557526440.db2.gz NKMKRFUAYAUSRU-UHFFFAOYSA-N 0 0 444.000 5.182 50 0 IKAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc2ccccc2[nH]c1=O ZINC000012072510 557527031 /nfs/dbraw/zinc/52/70/31/557527031.db2.gz VXJXYIRODCIZHL-MUUNZHRXSA-N 0 0 449.554 5.556 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)c(C)c3)C2)cc1 ZINC000106389777 557528516 /nfs/dbraw/zinc/52/85/16/557528516.db2.gz ZJOPLVGITMANIE-GGAORHGYSA-N 0 0 444.579 5.288 50 0 IKAARN C[C@@H](CC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@@H]1C)CC(C)(C)C ZINC000106607146 557530390 /nfs/dbraw/zinc/53/03/90/557530390.db2.gz ATIXIYQZRSLFKZ-IRXDYDNUSA-N 0 0 446.542 5.047 50 0 IKAARN Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)c1 ZINC000106937254 557533905 /nfs/dbraw/zinc/53/39/05/557533905.db2.gz DPXBDBBIJFLINC-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN CCOc1cc(C(=O)N2CCS[C@H](c3ccccc3)CC2)cc(OCC)c1OCC ZINC000211141117 557534283 /nfs/dbraw/zinc/53/42/83/557534283.db2.gz DNGGTYMFRJMFAN-QFIPXVFZSA-N 0 0 429.582 5.203 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(C)c(Cl)c3)no2)Cc2ccccc2)cc1 ZINC000107147836 557534824 /nfs/dbraw/zinc/53/48/24/557534824.db2.gz HAIGQDBLKYUQMO-UHFFFAOYSA-N 0 0 445.950 5.892 50 0 IKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1ccc(Br)cc1F ZINC000085808151 557536768 /nfs/dbraw/zinc/53/67/68/557536768.db2.gz IQBWPQDGFNKPRS-UHFFFAOYSA-N 0 0 442.263 6.520 50 0 IKAARN CCOC(=O)CC1(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)CCCCC1 ZINC000085808364 557536780 /nfs/dbraw/zinc/53/67/80/557536780.db2.gz KXNKLULTVJQFNM-UHFFFAOYSA-N 0 0 433.552 5.921 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000107795686 557536787 /nfs/dbraw/zinc/53/67/87/557536787.db2.gz DWZZURHVWBQXBC-LJAQVGFWSA-N 0 0 428.535 6.904 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1Cl ZINC000085808303 557536839 /nfs/dbraw/zinc/53/68/39/557536839.db2.gz VPGHGZJDTZHWKA-UHFFFAOYSA-N 0 0 435.911 6.458 50 0 IKAARN CC(C)C(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000044854849 557537641 /nfs/dbraw/zinc/53/76/41/557537641.db2.gz SSEDKFFHBVSQKS-INIZCTEOSA-N 0 0 439.770 5.825 50 0 IKAARN O=C(C1CCC1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000044854837 557537645 /nfs/dbraw/zinc/53/76/45/557537645.db2.gz GMTFUVVFUCIJNT-KRWDZBQOSA-N 0 0 435.326 5.454 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4cccnc4)cc(C(F)F)c3c2N)cc1OC ZINC000044903718 557540516 /nfs/dbraw/zinc/54/05/16/557540516.db2.gz MAHWRIAGSUYAOL-UHFFFAOYSA-N 0 0 441.459 5.126 50 0 IKAARN COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)no1 ZINC000044974462 557542273 /nfs/dbraw/zinc/54/22/73/557542273.db2.gz DSQWDIDDYNTHAU-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN Nc1c(Cl)cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1Cl ZINC000045621137 557544720 /nfs/dbraw/zinc/54/47/20/557544720.db2.gz OBFSEGVCWXNQSV-UHFFFAOYSA-N 0 0 442.346 5.220 50 0 IKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000109002029 557545067 /nfs/dbraw/zinc/54/50/67/557545067.db2.gz ICMLZKZVPZZXCA-NHCUHLMSSA-N 0 0 429.564 5.151 50 0 IKAARN CCOc1ccccc1Nc1nc2ccccc2nc1C(=O)OC[C@@H]1COc2ccccc21 ZINC000045901741 557546707 /nfs/dbraw/zinc/54/67/07/557546707.db2.gz PLABHYIACPQEIF-KRWDZBQOSA-N 0 0 441.487 5.105 50 0 IKAARN Cc1ccc(Cn2c(SCc3ccccc3C)nc3c4cccnc4sc3c2=O)cc1 ZINC000045924293 557547384 /nfs/dbraw/zinc/54/73/84/557547384.db2.gz NZBHCIIJFOHLRV-UHFFFAOYSA-N 0 0 443.597 5.964 50 0 IKAARN Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)Nc2ccc(F)cc2)cc1C ZINC000045922316 557547783 /nfs/dbraw/zinc/54/77/83/557547783.db2.gz CIZGEQSWHMWTAG-UHFFFAOYSA-N 0 0 426.516 7.125 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)c(Cl)c1 ZINC000045922576 557547856 /nfs/dbraw/zinc/54/78/56/557547856.db2.gz QPSOHHBFOYCWPO-UHFFFAOYSA-N 0 0 441.709 5.627 50 0 IKAARN Cc1ccc(Cn2c(=O)c3sc4ncccc4c3nc2SCc2ccccc2F)cc1 ZINC000045924303 557548209 /nfs/dbraw/zinc/54/82/09/557548209.db2.gz XFJBAIRGNZNUEN-UHFFFAOYSA-N 0 0 447.560 5.794 50 0 IKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3cccc(C)c3)no2)cc1 ZINC000045939261 557548347 /nfs/dbraw/zinc/54/83/47/557548347.db2.gz GDVTVPBHFYKMSU-UHFFFAOYSA-N 0 0 446.557 5.406 50 0 IKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccccc3C)no2)cc1 ZINC000045939258 557548384 /nfs/dbraw/zinc/54/83/84/557548384.db2.gz VFTHTPBQISINOP-UHFFFAOYSA-N 0 0 446.557 5.406 50 0 IKAARN Cn1c2cc(NC(=O)c3cccc(F)c3)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000045940863 557549346 /nfs/dbraw/zinc/54/93/46/557549346.db2.gz QBOCFTVYYZRRQP-UHFFFAOYSA-N 0 0 441.915 5.073 50 0 IKAARN Cc1ccc(C(=O)Nc2cc3c(cc2Sc2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 ZINC000045940856 557549348 /nfs/dbraw/zinc/54/93/48/557549348.db2.gz WFCFQCJYBGSQFL-UHFFFAOYSA-N 0 0 437.952 5.242 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000045924666 557549448 /nfs/dbraw/zinc/54/94/48/557549448.db2.gz SLSHFHKQWRPKNQ-UHFFFAOYSA-N 0 0 437.952 5.991 50 0 IKAARN CC(C)c1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1 ZINC000045925431 557550059 /nfs/dbraw/zinc/55/00/59/557550059.db2.gz FIQVPPPVTHDHBF-UHFFFAOYSA-N 0 0 427.495 6.831 50 0 IKAARN Clc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 ZINC000045925315 557550070 /nfs/dbraw/zinc/55/00/70/557550070.db2.gz DXHGWGJLUWWCKJ-UHFFFAOYSA-N 0 0 430.758 6.105 50 0 IKAARN FC(F)(F)c1cccc(CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1 ZINC000045925273 557550076 /nfs/dbraw/zinc/55/00/76/557550076.db2.gz FGPYNJPXXCIUTE-UHFFFAOYSA-N 0 0 435.474 6.861 50 0 IKAARN Clc1cccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c1 ZINC000045925321 557550098 /nfs/dbraw/zinc/55/00/98/557550098.db2.gz HUNCVIPUBRYTNN-UHFFFAOYSA-N 0 0 430.758 6.105 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045928290 557550411 /nfs/dbraw/zinc/55/04/11/557550411.db2.gz KSEKDCTZPQFWIT-QFIPXVFZSA-N 0 0 440.326 6.055 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045941404 557551067 /nfs/dbraw/zinc/55/10/67/557551067.db2.gz SGDQGMHICWDSBI-QHCPKHFHSA-N 0 0 435.907 5.410 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Br)cc1 ZINC000045941344 557551109 /nfs/dbraw/zinc/55/11/09/557551109.db2.gz WBTKPSQCMZGYTO-QFIPXVFZSA-N 0 0 434.333 5.810 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000045941592 557551260 /nfs/dbraw/zinc/55/12/60/557551260.db2.gz PMHQKSIKEWDPMA-QHCPKHFHSA-N 0 0 448.360 6.119 50 0 IKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000045941646 557551299 /nfs/dbraw/zinc/55/12/99/557551299.db2.gz RGTIMIZIYYWVAF-AREMUKBSSA-N 0 0 427.544 6.180 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000045941787 557551307 /nfs/dbraw/zinc/55/13/07/557551307.db2.gz MYFIBAXWVLSDMM-QHCPKHFHSA-N 0 0 448.360 5.853 50 0 IKAARN CCc1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941678 557551320 /nfs/dbraw/zinc/55/13/20/557551320.db2.gz OQYQGGOIYJGODV-VWLOTQADSA-N 0 0 429.516 5.319 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1OC ZINC000045941840 557551480 /nfs/dbraw/zinc/55/14/80/557551480.db2.gz SBXCDBATXWXEGU-RUZDIDTESA-N 0 0 447.506 5.247 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2Cl)cc1 ZINC000045942034 557551752 /nfs/dbraw/zinc/55/17/52/557551752.db2.gz CFOZTHJDXABQAV-QHCPKHFHSA-N 0 0 449.890 5.130 50 0 IKAARN CCc1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(SC)cc2)cc1 ZINC000045942234 557551778 /nfs/dbraw/zinc/55/17/78/557551778.db2.gz QCRYSBVSLUOTEA-RUZDIDTESA-N 0 0 445.584 6.032 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2F)c(OC)c1 ZINC000045942120 557551785 /nfs/dbraw/zinc/55/17/85/557551785.db2.gz UAQSYIJSYZDPIN-XMMPIXPASA-N 0 0 433.479 5.204 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942275 557551884 /nfs/dbraw/zinc/55/18/84/557551884.db2.gz QUOQMUGKQMKEHH-VWLOTQADSA-N 0 0 431.963 6.825 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942610 557551938 /nfs/dbraw/zinc/55/19/38/557551938.db2.gz HQRJXVOAIWKVPM-QHCPKHFHSA-N 0 0 437.442 5.035 50 0 IKAARN CCc1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942305 557551961 /nfs/dbraw/zinc/55/19/61/557551961.db2.gz BJTCMIFDNDBXHL-XMMPIXPASA-N 0 0 433.935 5.964 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000045943200 557552218 /nfs/dbraw/zinc/55/22/18/557552218.db2.gz FKTLIUVFYXWAIV-UHFFFAOYSA-N 0 0 431.355 5.958 50 0 IKAARN CSc1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000045943371 557552345 /nfs/dbraw/zinc/55/23/45/557552345.db2.gz OHEFXNFOGLTQPA-UHFFFAOYSA-N 0 0 435.368 5.557 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c(Cl)c1 ZINC000045943244 557552355 /nfs/dbraw/zinc/55/23/55/557552355.db2.gz UDMLOALIPPUPDW-UHFFFAOYSA-N 0 0 437.746 5.797 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)Sc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000045943408 557552601 /nfs/dbraw/zinc/55/26/01/557552601.db2.gz RBYJWYAYTFOZGS-CQSZACIVSA-N 0 0 431.355 5.210 50 0 IKAARN Cc1ccc(CNC(=O)[C@H](C)Sc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000045943409 557552637 /nfs/dbraw/zinc/55/26/37/557552637.db2.gz RBYJWYAYTFOZGS-AWEZNQCLSA-N 0 0 431.355 5.210 50 0 IKAARN CCOCCCNC(=O)c1sc2c(cnc3ccc(F)cc23)c1-c1ccc(CC)cc1 ZINC000045944013 557552770 /nfs/dbraw/zinc/55/27/70/557552770.db2.gz CWAQIDLQONNKPG-UHFFFAOYSA-N 0 0 436.552 5.974 50 0 IKAARN Cn1c2cc(NC(=O)Cc3ccc(Cl)cc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000045960867 557554818 /nfs/dbraw/zinc/55/48/18/557554818.db2.gz MXYDVAFQMPCZBU-UHFFFAOYSA-N 0 0 444.000 5.136 50 0 IKAARN Fc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1Cl ZINC000045961053 557555105 /nfs/dbraw/zinc/55/51/05/557555105.db2.gz YRFDIJBTNVFBQP-UHFFFAOYSA-N 0 0 428.298 5.393 50 0 IKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000045967451 557557152 /nfs/dbraw/zinc/55/71/52/557557152.db2.gz SXWTXJWTECHVPM-UHFFFAOYSA-N 0 0 437.849 5.960 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c1C ZINC000038547685 557591929 /nfs/dbraw/zinc/59/19/29/557591929.db2.gz GSNYEXBBUQJTOC-QFIPXVFZSA-N 0 0 447.516 5.535 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccc(SC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547864 557591992 /nfs/dbraw/zinc/59/19/92/557591992.db2.gz YMZRIRNQRVKHIV-JOCHJYFZSA-N 0 0 449.601 6.474 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000000842029 557700588 /nfs/dbraw/zinc/70/05/88/557700588.db2.gz KRQIILQWVUYYST-YCIYHOANSA-N 0 0 433.429 5.276 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000000842027 557700603 /nfs/dbraw/zinc/70/06/03/557700603.db2.gz KRQIILQWVUYYST-LQDNNDEMSA-N 0 0 433.429 5.276 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cc(C)cc(C)c3)CC2=O)cc1 ZINC000040255650 557711630 /nfs/dbraw/zinc/71/16/30/557711630.db2.gz OOIQUEBGGTUJPT-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC1(Cc2ccccc2)CC1 ZINC000225400613 557718472 /nfs/dbraw/zinc/71/84/72/557718472.db2.gz LZLGUWZOPUQGCN-HSZRJFAPSA-N 0 0 432.951 5.093 50 0 IKAARN FC(F)(F)c1cccc(-c2nc3n(n2)[C@H](C(Cl)(Cl)Cl)Nc2ccccc2-3)c1 ZINC000225403581 557718898 /nfs/dbraw/zinc/71/88/98/557718898.db2.gz DYVOGVQVSMPMPV-OAHLLOKOSA-N 0 0 433.648 5.925 50 0 IKAARN CN(C)c1ccc(NC(=O)c2cccc(F)c2)cc1CN(Cc1ccccc1)C(=O)C1CC1 ZINC000040388983 557718922 /nfs/dbraw/zinc/71/89/22/557718922.db2.gz LFHFGULQPYBKBR-UHFFFAOYSA-N 0 0 445.538 5.083 50 0 IKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3cnc4ccccc4n3)C2)cc1 ZINC000225508058 557731900 /nfs/dbraw/zinc/73/19/00/557731900.db2.gz OXBUKYWIJPVXNL-XMMPIXPASA-N 0 0 439.544 5.187 50 0 IKAARN CCCO[C@H]1CCCN(C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)CC1 ZINC000225553390 557741245 /nfs/dbraw/zinc/74/12/45/557741245.db2.gz QMNZFUWBRJFKRO-INIZCTEOSA-N 0 0 431.989 5.470 50 0 IKAARN CC(C)CC(=O)Nc1cccc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1 ZINC000225692829 557764867 /nfs/dbraw/zinc/76/48/67/557764867.db2.gz RENVOZQNMAYUGW-UHFFFAOYSA-N 0 0 441.622 5.450 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000226484814 557807027 /nfs/dbraw/zinc/80/70/27/557807027.db2.gz XYAHVIMQWBBBKK-YFROIQMUSA-N 0 0 448.420 5.257 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000843631 557811189 /nfs/dbraw/zinc/81/11/89/557811189.db2.gz AJWLGUNRLUABCH-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000843633 557811305 /nfs/dbraw/zinc/81/13/05/557811305.db2.gz AJWLGUNRLUABCH-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000226989794 557811558 /nfs/dbraw/zinc/81/15/58/557811558.db2.gz CZUDJILWSYVQCR-YTFSRNRJSA-N 0 0 432.907 5.008 50 0 IKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000041181195 557828677 /nfs/dbraw/zinc/82/86/77/557828677.db2.gz FJIRFWDJPBXNKB-VHSSCYTRSA-N 0 0 430.544 5.739 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000847189 557829373 /nfs/dbraw/zinc/82/93/73/557829373.db2.gz PTMHGGAKXWVTPH-UHFFFAOYSA-N 0 0 432.838 6.800 50 0 IKAARN CN(C(=O)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl)C1CCCCC1 ZINC000000848533 557829532 /nfs/dbraw/zinc/82/95/32/557829532.db2.gz RYYUUOSOMSQJKR-UHFFFAOYSA-N 0 0 426.826 5.066 50 0 IKAARN Cc1ccc(NC(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)cc1C ZINC000000848515 557829536 /nfs/dbraw/zinc/82/95/36/557829536.db2.gz JVJQDUOZLNFHMC-UHFFFAOYSA-N 0 0 434.805 5.531 50 0 IKAARN COc1ccc2c(c1)sc1nc(-c3cc4cc(Br)ccc4oc3=O)cn12 ZINC000000856322 557831473 /nfs/dbraw/zinc/83/14/73/557831473.db2.gz HGACJDNOAIQULI-UHFFFAOYSA-N 0 0 427.279 5.094 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000000861646 557832494 /nfs/dbraw/zinc/83/24/94/557832494.db2.gz PTNCAYXLMJPMKI-UHFFFAOYSA-N 0 0 432.520 5.506 50 0 IKAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n(C2CCCC2)c1C ZINC000018532808 557833901 /nfs/dbraw/zinc/83/39/01/557833901.db2.gz ZUOQNSNCGKNFTD-CQSZACIVSA-N 0 0 425.570 6.049 50 0 IKAARN O=C1[C@H](Oc2ccccc2)[C@]2(c3ccccc3)C[C@H](c3ccccc3)Sc3ccccc3N12 ZINC000229940635 557834150 /nfs/dbraw/zinc/83/41/50/557834150.db2.gz QRYJUSMKRBSNCZ-IUAQSZDVSA-N 0 0 449.575 6.613 50 0 IKAARN S=c1n(CN2CCC[C@@H]3CCCC[C@H]32)nc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000229996158 557835097 /nfs/dbraw/zinc/83/50/97/557835097.db2.gz KHMOHZCJMGUPHW-GHTZIAJQSA-N 0 0 448.592 5.411 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc(NC(=O)c2ccccc2OCC)ccc1Cl ZINC000230510833 557835398 /nfs/dbraw/zinc/83/53/98/557835398.db2.gz OZLNTAQIPLXTKN-UHFFFAOYSA-N 0 0 438.911 5.642 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4Cl)c3N2)cc1 ZINC000000867141 557839918 /nfs/dbraw/zinc/83/99/18/557839918.db2.gz UVRJMJHLNDFLMU-MSOLQXFVSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 ZINC000000867064 557839935 /nfs/dbraw/zinc/83/99/35/557839935.db2.gz JAWYITGVFTYRFB-LSDHHAIUSA-N 0 0 438.837 5.028 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000000867631 557839943 /nfs/dbraw/zinc/83/99/43/557839943.db2.gz OSLNNWRLLOWKKV-QGZVFWFLSA-N 0 0 440.528 5.800 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000000869107 557840394 /nfs/dbraw/zinc/84/03/94/557840394.db2.gz AOQGUZJSTUTALP-UHFFFAOYSA-N 0 0 429.545 5.150 50 0 IKAARN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N(Cc1ccccc1)Cc1ccccc1 ZINC000000869756 557840449 /nfs/dbraw/zinc/84/04/49/557840449.db2.gz MYZRWYJXVVCWOI-UHFFFAOYSA-N 0 0 427.470 5.010 50 0 IKAARN COc1cc(C2SCCS2)ccc1OC(=O)Cc1nc(-c2cccs2)oc1C ZINC000025030332 557845716 /nfs/dbraw/zinc/84/57/16/557845716.db2.gz YAZZCUWQNVJEED-UHFFFAOYSA-N 0 0 433.576 5.347 50 0 IKAARN Fc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000000877810 557848640 /nfs/dbraw/zinc/84/86/40/557848640.db2.gz NNHAZVFTWXJDIH-IBGZPJMESA-N 0 0 432.952 5.154 50 0 IKAARN Fc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 ZINC000000877808 557848683 /nfs/dbraw/zinc/84/86/83/557848683.db2.gz NNHAZVFTWXJDIH-LJQANCHMSA-N 0 0 432.952 5.154 50 0 IKAARN O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1c(Cl)cccc1Cl ZINC000025046077 557851900 /nfs/dbraw/zinc/85/19/00/557851900.db2.gz FETNLXKTXQEQIM-UHFFFAOYSA-N 0 0 444.343 5.461 50 0 IKAARN CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000883832 557854577 /nfs/dbraw/zinc/85/45/77/557854577.db2.gz NXAXRGGDEQSZNS-UHFFFAOYSA-N 0 0 435.496 5.615 50 0 IKAARN CC1C[C@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@@H](C)C1 ZINC000000885405 557855363 /nfs/dbraw/zinc/85/53/63/557855363.db2.gz TYSKRDIOCOSDQX-GJZGRUSLSA-N 0 0 449.542 5.389 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000000888121 557856689 /nfs/dbraw/zinc/85/66/89/557856689.db2.gz WHRVFVBXEYEBLI-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2)cc1 ZINC000000890648 557859106 /nfs/dbraw/zinc/85/91/06/557859106.db2.gz JOMMXMBPNVRQMV-ZIAGYGMSSA-N 0 0 439.503 5.053 50 0 IKAARN Cc1cccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 ZINC000000892416 557860474 /nfs/dbraw/zinc/86/04/74/557860474.db2.gz MINDJZRZEJEUSS-UHFFFAOYSA-N 0 0 431.517 5.414 50 0 IKAARN O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000025058618 557862563 /nfs/dbraw/zinc/86/25/63/557862563.db2.gz KJDATBGZQMUVDL-UHFFFAOYSA-N 0 0 446.526 5.119 50 0 IKAARN CC(C)CCOC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770143 560184910 /nfs/dbraw/zinc/18/49/10/560184910.db2.gz TVFMXYDXPCLOEQ-UHFFFAOYSA-N 0 0 438.520 5.851 50 0 biogenic,in-vitro IKAARN CCOC(=O)c1c(C)n(CCOCc2ccccc2Cl)c2c1cc(O)c1ccccc21 ZINC000008856783 560210949 /nfs/dbraw/zinc/21/09/49/560210949.db2.gz PVRRCMYKLFUTDE-UHFFFAOYSA-N 0 0 437.923 5.855 50 0 biogenic,in-vitro IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000012401392 560211709 /nfs/dbraw/zinc/21/17/09/560211709.db2.gz XUGISPSHIFXEHZ-RXOZWRLSSA-N 0 0 428.701 7.960 50 0 biogenic,in-vitro IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Cl)c2)cc1 ZINC000001055970 562920135 /nfs/dbraw/zinc/92/01/35/562920135.db2.gz FUVOBRFDFQTYIS-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Fc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1 ZINC000001064132 562920262 /nfs/dbraw/zinc/92/02/62/562920262.db2.gz AORMSLQVQCQSJU-UHFFFAOYSA-N 0 0 432.296 6.794 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000001103808 562920464 /nfs/dbraw/zinc/92/04/64/562920464.db2.gz UKVPSUGXSPUMNK-UHFFFAOYSA-N 0 0 443.499 5.615 50 0 IKAARN CCC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)ccc1C ZINC000001118901 562920578 /nfs/dbraw/zinc/92/05/78/562920578.db2.gz UPMROPRBEHBOGF-AREMUKBSSA-N 0 0 429.516 5.741 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1 ZINC000001229591 562920959 /nfs/dbraw/zinc/92/09/59/562920959.db2.gz HNFDASCPIUGCNQ-UHFFFAOYSA-N 0 0 432.483 5.735 50 0 IKAARN Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Oc1cccc(Cl)c1 ZINC000001389403 562921587 /nfs/dbraw/zinc/92/15/87/562921587.db2.gz PQRBHHSJALIZGX-UHFFFAOYSA-N 0 0 431.748 5.415 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000001392010 562921644 /nfs/dbraw/zinc/92/16/44/562921644.db2.gz IDORJFJJBZIYQI-UHFFFAOYSA-N 0 0 444.638 5.559 50 0 IKAARN Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3ccccc3Oc3ccccc3)cs2)n1 ZINC000001402124 562921706 /nfs/dbraw/zinc/92/17/06/562921706.db2.gz JLGLDXXVJHTSRB-UHFFFAOYSA-N 0 0 444.438 5.701 50 0 IKAARN O=C(Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1)c1cccc(F)c1 ZINC000001430072 562921855 /nfs/dbraw/zinc/92/18/55/562921855.db2.gz SBXQTTIXVQXXHC-UHFFFAOYSA-N 0 0 425.385 5.950 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001944567 562925473 /nfs/dbraw/zinc/92/54/73/562925473.db2.gz LWCUMUFYWBKLSB-ZDUSSCGKSA-N 0 0 435.973 5.357 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccco4)n3CC)ccc21 ZINC000002263684 562926699 /nfs/dbraw/zinc/92/66/99/562926699.db2.gz OKUUCTJPQJBHRR-UHFFFAOYSA-N 0 0 445.548 5.417 50 0 IKAARN CC(C)(C)c1cc(C2=NO[C@H](c3ccccc3)N2c2ccccc2)cc(C(C)(C)C)c1O ZINC000002294889 562926770 /nfs/dbraw/zinc/92/67/70/562926770.db2.gz ZDICBPCJPFAEAQ-AREMUKBSSA-N 0 0 428.576 6.884 50 0 IKAARN CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002461111 562928111 /nfs/dbraw/zinc/92/81/11/562928111.db2.gz NHZAZEIBAHLLOG-UHFFFAOYSA-N 0 0 428.329 5.032 50 0 IKAARN O=C(/C=C/c1nc2ccccc2s1)OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000002652602 562929377 /nfs/dbraw/zinc/92/93/77/562929377.db2.gz MZKCWUKCODETCL-CCEZHUSRSA-N 0 0 430.485 5.284 50 0 IKAARN C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002654961 562929470 /nfs/dbraw/zinc/92/94/70/562929470.db2.gz BGUAHOVYTOIYAQ-LBPRGKRZSA-N 0 0 443.286 5.401 50 0 IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000002663717 562929682 /nfs/dbraw/zinc/92/96/82/562929682.db2.gz NZAWCARWEXBXSZ-UHFFFAOYSA-N 0 0 436.515 6.132 50 0 IKAARN COc1ccccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2Cl)n1 ZINC000002690390 562929767 /nfs/dbraw/zinc/92/97/67/562929767.db2.gz UHVJZLDUXJZFMZ-UHFFFAOYSA-N 0 0 440.728 6.465 50 0 IKAARN Cc1ccc(CSc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002721741 562929903 /nfs/dbraw/zinc/92/99/03/562929903.db2.gz LILKKOHNSQAFGA-UHFFFAOYSA-N 0 0 441.599 6.145 50 0 IKAARN COc1ccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2-c2ccccc2)cc1OC ZINC000002718491 562929949 /nfs/dbraw/zinc/92/99/49/562929949.db2.gz QPHSXFLZBMFIRW-UHFFFAOYSA-N 0 0 446.528 5.568 50 0 IKAARN CCCCC1CCC(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)CC1 ZINC000002724697 562929984 /nfs/dbraw/zinc/92/99/84/562929984.db2.gz NAEPYRHHQRJPOV-WKBCRJLYSA-N 0 0 440.534 5.832 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2cccs2)cc1 ZINC000002722431 562930000 /nfs/dbraw/zinc/93/00/00/562930000.db2.gz FAIMXTPBTXEZOU-UHFFFAOYSA-N 0 0 449.645 6.297 50 0 aggregator IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000002724277 562930012 /nfs/dbraw/zinc/93/00/12/562930012.db2.gz RAGOEYNQLPSOPO-RUZDIDTESA-N 0 0 432.495 5.105 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2nc3c(cccc3C)s2)c1C ZINC000002929270 562930726 /nfs/dbraw/zinc/93/07/26/562930726.db2.gz PLOGGYYYHABPQC-UHFFFAOYSA-N 0 0 447.560 5.587 50 0 aggregator IKAARN CCOc1ccc(Sc2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000002948486 562931028 /nfs/dbraw/zinc/93/10/28/562931028.db2.gz UFLOXBSDYNGWRM-UHFFFAOYSA-N 0 0 432.520 5.854 50 0 IKAARN O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N12 ZINC000002964402 562931273 /nfs/dbraw/zinc/93/12/73/562931273.db2.gz BYMBSINDRCYAFP-OAQYLSRUSA-N 0 0 431.948 5.475 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CC[C@@H](C(C)(C)C)C2 ZINC000002983885 562931411 /nfs/dbraw/zinc/93/14/11/562931411.db2.gz DHUBEWYHEWPAPH-GOSISDBHSA-N 0 0 438.637 6.086 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc(CSCc3ccc(C)cc3)o2)cc1OC ZINC000003006160 562931481 /nfs/dbraw/zinc/93/14/81/562931481.db2.gz BQHCKOVJOSGULT-UHFFFAOYSA-N 0 0 425.550 5.011 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)cc1 ZINC000003024805 562931815 /nfs/dbraw/zinc/93/18/15/562931815.db2.gz BTFXJTPKTCCICD-UHFFFAOYSA-N 0 0 444.572 5.370 50 0 IKAARN COc1ccccc1-n1c(=O)c2sc(=S)n(-c3ccc(C)cc3C)c2[nH]c1=S ZINC000003027017 562931822 /nfs/dbraw/zinc/93/18/22/562931822.db2.gz QSOSGGPHXGMXCV-UHFFFAOYSA-N 0 0 427.576 5.255 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003033266 562931883 /nfs/dbraw/zinc/93/18/83/562931883.db2.gz IRLGJQHTBDAIBP-UHFFFAOYSA-N 0 0 426.545 5.499 50 0 IKAARN CCOc1ccccc1-n1c2[nH]c(=S)n(-c3ccc(C)cc3)c(=O)c2sc1=S ZINC000003034409 562931952 /nfs/dbraw/zinc/93/19/52/562931952.db2.gz FATOPSCMMPXTAV-UHFFFAOYSA-N 0 0 427.576 5.337 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000003033871 562931981 /nfs/dbraw/zinc/93/19/81/562931981.db2.gz LCYOKOVCOOCWTM-UHFFFAOYSA-N 0 0 440.572 5.231 50 0 IKAARN O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1Cl ZINC000003041616 562932142 /nfs/dbraw/zinc/93/21/42/562932142.db2.gz IDPUBFNMEGKAOH-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 aggregator IKAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000003048004 562932182 /nfs/dbraw/zinc/93/21/82/562932182.db2.gz ZONQJNRDQBKDPN-UHFFFAOYSA-N 0 0 446.956 5.130 50 0 IKAARN Cc1ccccc1CN1c2cc(C(=O)N3CCCC3)ccc2Sc2ccccc2C1=O ZINC000003046531 562932197 /nfs/dbraw/zinc/93/21/97/562932197.db2.gz OIBWKBMGSKNJDW-UHFFFAOYSA-N 0 0 428.557 5.543 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1ncccc1C(=O)Oc1ccccc1Cl ZINC000003048348 562932266 /nfs/dbraw/zinc/93/22/66/562932266.db2.gz VCQJELADXXVNOE-UHFFFAOYSA-N 0 0 447.343 5.647 50 0 IKAARN O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1Cc1cccc(Cl)c1 ZINC000003056785 562932298 /nfs/dbraw/zinc/93/22/98/562932298.db2.gz RNBWSKUYUZEJSH-UHFFFAOYSA-N 0 0 429.734 6.031 50 0 IKAARN CCOc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1 ZINC000003063460 562932427 /nfs/dbraw/zinc/93/24/27/562932427.db2.gz QSQPGPRHGGCJFI-JOCHJYFZSA-N 0 0 436.577 5.476 50 0 IKAARN COc1cc2c(cc1OC)c(NCc1ccco1)c(C)c(O)c2CC(=O)Nc1ccccc1 ZINC000003187102 562932648 /nfs/dbraw/zinc/93/26/48/562932648.db2.gz BHOQQULDEUJYJJ-UHFFFAOYSA-N 0 0 446.503 5.257 50 0 IKAARN Cc1nc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2s1 ZINC000003336438 562934375 /nfs/dbraw/zinc/93/43/75/562934375.db2.gz NFTBOVJNUCZLKP-UHFFFAOYSA-N 0 0 427.938 5.824 50 0 aggregator IKAARN Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000003352532 562934701 /nfs/dbraw/zinc/93/47/01/562934701.db2.gz VFNMMILBRDRZRI-UHFFFAOYSA-N 0 0 433.964 6.324 50 0 IKAARN CCCc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)cc1 ZINC000003366413 562934905 /nfs/dbraw/zinc/93/49/05/562934905.db2.gz MTHOYURSAPLLOD-UHFFFAOYSA-N 0 0 443.499 5.864 50 0 IKAARN Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C[C@@H]2CCCO2)cc1 ZINC000003444987 562935941 /nfs/dbraw/zinc/93/59/41/562935941.db2.gz FAVHZOBQADFOEC-IBGZPJMESA-N 0 0 436.512 5.211 50 0 IKAARN Brc1ccccc1-c1nnc(CSc2nnc3sc4ccccc4n23)o1 ZINC000003495624 562936271 /nfs/dbraw/zinc/93/62/71/562936271.db2.gz SDPCBEFDYAUNKL-UHFFFAOYSA-N 0 0 444.339 5.049 50 0 aggregator IKAARN CCOC(=O)C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1Cl ZINC000003627109 562936897 /nfs/dbraw/zinc/93/68/97/562936897.db2.gz RTIXXYXLOMWVMS-HXUWFJFHSA-N 0 0 435.907 5.388 50 0 IKAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCCC3)o2)c1 ZINC000003642039 562937242 /nfs/dbraw/zinc/93/72/42/562937242.db2.gz ZQZSGCYHYXGERR-UHFFFAOYSA-N 0 0 430.957 5.517 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000003655538 562937432 /nfs/dbraw/zinc/93/74/32/562937432.db2.gz SRIBCERYDFTJJU-MRXNPFEDSA-N 0 0 433.891 6.032 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000003655515 562937446 /nfs/dbraw/zinc/93/74/46/562937446.db2.gz DXMQPIMABWKNTQ-UHFFFAOYSA-N 0 0 445.490 6.118 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000003655516 562937449 /nfs/dbraw/zinc/93/74/49/562937449.db2.gz QHQNIMADCWTVQP-UHFFFAOYSA-N 0 0 441.527 6.287 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)c1 ZINC000003655616 562937452 /nfs/dbraw/zinc/93/74/52/562937452.db2.gz XOICNVQXRXFPTD-UHFFFAOYSA-N 0 0 445.490 6.252 50 0 IKAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655588 562937456 /nfs/dbraw/zinc/93/74/56/562937456.db2.gz JXMMRURJRDWBAD-OAQYLSRUSA-N 0 0 431.463 5.907 50 0 IKAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655587 562937462 /nfs/dbraw/zinc/93/74/62/562937462.db2.gz JXMMRURJRDWBAD-NRFANRHFSA-N 0 0 431.463 5.907 50 0 IKAARN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@@H](Cc2ccc3ccccc3c2)C1=O ZINC000003989689 562940510 /nfs/dbraw/zinc/94/05/10/562940510.db2.gz HIJCSNHREFFOML-DEOSSOPVSA-N 0 0 440.930 5.624 50 0 IKAARN CC[C@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 ZINC000004087478 562941676 /nfs/dbraw/zinc/94/16/76/562941676.db2.gz ZYTYGNLZPYWFKU-RNXZQOMOSA-N 0 0 430.662 5.507 50 0 IKAARN CCCCCOc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC ZINC000004289857 562943029 /nfs/dbraw/zinc/94/30/29/562943029.db2.gz VXJXBTICVNJXIY-ACCUITESSA-N 0 0 445.581 5.771 50 0 biogenic IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000006134457 562946242 /nfs/dbraw/zinc/94/62/42/562946242.db2.gz MYKYUPZYUSCLKH-HXUWFJFHSA-N 0 0 441.531 5.035 50 0 IKAARN CCN(CC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006728192 562948265 /nfs/dbraw/zinc/94/82/65/562948265.db2.gz KZNZFFWQLLPOQM-OAHLLOKOSA-N 0 0 430.589 5.773 50 0 IKAARN O=C(NCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000006752568 562948315 /nfs/dbraw/zinc/94/83/15/562948315.db2.gz OXJLSLHFBWTWQW-UHFFFAOYSA-N 0 0 425.960 5.008 50 0 aggregator IKAARN Cc1ccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c(C)c1 ZINC000006752560 562948323 /nfs/dbraw/zinc/94/83/23/562948323.db2.gz QNCIYUAQLWJCOG-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 aggregator IKAARN CCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000007003012 562948591 /nfs/dbraw/zinc/94/85/91/562948591.db2.gz WBELRBLAGFGYPR-UHFFFAOYSA-N 0 0 426.630 5.092 50 0 IKAARN CCC1=Nc2cc(C(=O)NCc3ccccc3OC)ccc2Sc2ccc(Cl)cc21 ZINC000008583150 562949658 /nfs/dbraw/zinc/94/96/58/562949658.db2.gz HEJVJEHFRMBFDU-UHFFFAOYSA-N 0 0 436.964 6.274 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)Nc2cc(C)ccc2OC)c1C ZINC000008583643 562949808 /nfs/dbraw/zinc/94/98/08/562949808.db2.gz GBDKITPMLFTNFF-UHFFFAOYSA-N 0 0 434.536 5.376 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C(C)=O)cc3)nn2-c2cccc(Cl)c2)cc1 ZINC000008587083 562950203 /nfs/dbraw/zinc/95/02/03/562950203.db2.gz ZTCWRBNULXCOEX-UHFFFAOYSA-N 0 0 446.894 5.051 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cc(C)cc(C)c2)CC1=O ZINC000008587087 562950230 /nfs/dbraw/zinc/95/02/30/562950230.db2.gz ZBVPUPNQSOHMAU-JOCHJYFZSA-N 0 0 433.596 5.628 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2c(C)cccc2C)CC1=O ZINC000008587099 562950241 /nfs/dbraw/zinc/95/02/41/562950241.db2.gz QTRZYTXEQSLQDS-QFIPXVFZSA-N 0 0 433.596 5.628 50 0 IKAARN C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1c2c(sc1-n1cccc1)CCCC2 ZINC000008587619 562950309 /nfs/dbraw/zinc/95/03/09/562950309.db2.gz ZZJRDSABVVRKGF-CQSZACIVSA-N 0 0 433.499 6.319 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NC[C@@H](C)c1ccccc1)c2Sc1ccc(C)cc1 ZINC000008587674 562950390 /nfs/dbraw/zinc/95/03/90/562950390.db2.gz MDOOZHCOPKNZTO-GOSISDBHSA-N 0 0 430.573 6.170 50 0 aggregator IKAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000008587761 562950482 /nfs/dbraw/zinc/95/04/82/562950482.db2.gz PLSLQDNJHXYOGA-KRWDZBQOSA-N 0 0 425.941 5.471 50 0 IKAARN O=C(CCCn1c(=O)c2cccn2c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008588533 562950724 /nfs/dbraw/zinc/95/07/24/562950724.db2.gz CTZXSCWRHDGGBN-UHFFFAOYSA-N 0 0 447.844 5.345 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)Nc5c(C)cccc5C)cc4sc3n2)cc1 ZINC000008588684 562950800 /nfs/dbraw/zinc/95/08/00/562950800.db2.gz SMJACHJJESUJMB-UHFFFAOYSA-N 0 0 427.529 6.094 50 0 IKAARN COc1cccc(-n2cc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc3c2=O)c1 ZINC000008588668 562950808 /nfs/dbraw/zinc/95/08/08/562950808.db2.gz IDWSVLUNMDDSHN-UHFFFAOYSA-N 0 0 448.906 5.222 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NC[C@H](C)c5ccccc5)cc4sc3n2)cc1 ZINC000008588723 562950817 /nfs/dbraw/zinc/95/08/17/562950817.db2.gz MEGNFYPLCGSDHZ-SFHVURJKSA-N 0 0 439.584 6.312 50 0 IKAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2ccc(OC)c(Cl)c2)c2cc3occc3n21 ZINC000008588932 562950935 /nfs/dbraw/zinc/95/09/35/562950935.db2.gz YADXNCJQURFLJW-SFHVURJKSA-N 0 0 444.944 5.209 50 0 IKAARN COc1ccc(-c2nc(CSc3nncn4c5ccsc5cc34)c(C)o2)cc1OC ZINC000008588947 562950937 /nfs/dbraw/zinc/95/09/37/562950937.db2.gz OAKNRISWPXLRTK-UHFFFAOYSA-N 0 0 438.534 5.217 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccco3)c(C(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c1 ZINC000008589021 562951030 /nfs/dbraw/zinc/95/10/30/562951030.db2.gz QEHUTFISSDMFGC-UHFFFAOYSA-N 0 0 442.874 5.072 50 0 IKAARN CCOc1ccc(CCNC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000008589196 562951056 /nfs/dbraw/zinc/95/10/56/562951056.db2.gz KUWCWSRVPCJAIQ-UHFFFAOYSA-N 0 0 444.550 5.519 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000008589780 562951379 /nfs/dbraw/zinc/95/13/79/562951379.db2.gz UPIOECPDPNYWHL-UHFFFAOYSA-N 0 0 434.561 5.459 50 0 IKAARN Brc1cccc(-c2cnn3c2nc(-c2ccccc2)cc3-c2ccccc2)c1 ZINC000008590022 562951415 /nfs/dbraw/zinc/95/14/15/562951415.db2.gz PUONRUDNJAWKNL-UHFFFAOYSA-N 0 0 426.317 6.493 50 0 aggregator IKAARN COc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCCC3)o2)cc1 ZINC000008590178 562951480 /nfs/dbraw/zinc/95/14/80/562951480.db2.gz ZBPSQZSQVYGCFA-UHFFFAOYSA-N 0 0 446.956 5.217 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)Cc4c(F)cccc4Cl)ccc3n2)cc1 ZINC000008590493 562951697 /nfs/dbraw/zinc/95/16/97/562951697.db2.gz NDTCXPRNOBXFKE-UHFFFAOYSA-N 0 0 449.913 6.269 50 0 IKAARN COc1cccc(C(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)c1 ZINC000008590422 562951703 /nfs/dbraw/zinc/95/17/03/562951703.db2.gz WWAWKDIKNNDTOG-UHFFFAOYSA-N 0 0 428.435 5.804 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3n2)cc1 ZINC000008590486 562951718 /nfs/dbraw/zinc/95/17/18/562951718.db2.gz MVKXUHZULDBWQY-UHFFFAOYSA-N 0 0 431.923 6.130 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)c1 ZINC000008591262 562952001 /nfs/dbraw/zinc/95/20/01/562952001.db2.gz NCDRDMGKGWJWHJ-UHFFFAOYSA-N 0 0 447.922 6.210 50 0 IKAARN C[C@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008591738 562952134 /nfs/dbraw/zinc/95/21/34/562952134.db2.gz VBYFYQRIHFTGDV-HNNXBMFYSA-N 0 0 427.572 6.089 50 0 IKAARN O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4cccc(Cl)c4)cs3)cc21 ZINC000008592529 562952334 /nfs/dbraw/zinc/95/23/34/562952334.db2.gz OIOQGFREWBXZFA-MRXNPFEDSA-N 0 0 432.932 5.732 50 0 IKAARN O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc21 ZINC000008592469 562952341 /nfs/dbraw/zinc/95/23/41/562952341.db2.gz RUZSDQMZKNJMRE-INIZCTEOSA-N 0 0 432.932 5.732 50 0 IKAARN COc1ccc([C@@H]2CC(=O)c3cc(-c4nc(-c5ccc(C)cc5)cs4)c(=O)[nH]c3C2)cc1 ZINC000008592475 562952371 /nfs/dbraw/zinc/95/23/71/562952371.db2.gz HXGXEJITPKMGHN-SFHVURJKSA-N 0 0 442.540 5.395 50 0 aggregator IKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1noc2c1CCc1ccccc1-2 ZINC000008592933 562952466 /nfs/dbraw/zinc/95/24/66/562952466.db2.gz NYBAWNUFRLLODH-UHFFFAOYSA-N 0 0 432.911 5.208 50 0 aggregator IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000008593446 562952696 /nfs/dbraw/zinc/95/26/96/562952696.db2.gz NILDRWVGSNPUFG-UHFFFAOYSA-N 0 0 446.522 5.388 50 0 IKAARN COc1cccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000008594875 562953130 /nfs/dbraw/zinc/95/31/30/562953130.db2.gz JHEWFFLAOXBDFO-UHFFFAOYSA-N 0 0 429.520 5.259 50 0 aggregator IKAARN Cc1ccccc1CSc1nc2n(n1)[C@@H](CC(C)C)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000008594872 562953177 /nfs/dbraw/zinc/95/31/77/562953177.db2.gz XPHWGJDYVOHWLU-NRFANRHFSA-N 0 0 447.608 5.804 50 0 IKAARN Brc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1 ZINC000008595098 562953298 /nfs/dbraw/zinc/95/32/98/562953298.db2.gz BIBRWKRUKOLXOT-UHFFFAOYSA-N 0 0 444.288 5.732 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000008595363 562953436 /nfs/dbraw/zinc/95/34/36/562953436.db2.gz RJDSTWOJTBXWSH-UHFFFAOYSA-N 0 0 431.923 5.961 50 0 IKAARN CCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000008595374 562953491 /nfs/dbraw/zinc/95/34/91/562953491.db2.gz SYUVCXDGOBEGOL-NTCAYCPXSA-N 0 0 438.936 5.496 50 0 IKAARN CSc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000008595377 562953496 /nfs/dbraw/zinc/95/34/96/562953496.db2.gz OGLVBQZRHOZYLH-SDNWHVSQSA-N 0 0 440.977 5.819 50 0 IKAARN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000008595518 562953546 /nfs/dbraw/zinc/95/35/46/562953546.db2.gz JGKOPOMQVORESF-RUZDIDTESA-N 0 0 443.934 6.187 50 0 IKAARN Cc1cccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1 ZINC000008596045 562953701 /nfs/dbraw/zinc/95/37/01/562953701.db2.gz RMUXAJNGMFJLIJ-UHFFFAOYSA-N 0 0 435.593 5.083 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008595841 562953707 /nfs/dbraw/zinc/95/37/07/562953707.db2.gz AYTJBHBSFSYSOQ-QHCPKHFHSA-N 0 0 443.528 5.373 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008595840 562953725 /nfs/dbraw/zinc/95/37/25/562953725.db2.gz AYTJBHBSFSYSOQ-HSZRJFAPSA-N 0 0 443.528 5.373 50 0 IKAARN COc1ccc(CNC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)cc1 ZINC000008596642 562953864 /nfs/dbraw/zinc/95/38/64/562953864.db2.gz LVSYSLGVNYBCOX-UHFFFAOYSA-N 0 0 426.969 5.184 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000008598101 562954166 /nfs/dbraw/zinc/95/41/66/562954166.db2.gz NAMVDDOEMTVTLN-UHFFFAOYSA-N 0 0 432.911 5.454 50 0 IKAARN O=C(Nc1ccccc1Cl)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000008598221 562954171 /nfs/dbraw/zinc/95/41/71/562954171.db2.gz OYTXSLWPCVGLBJ-QFIPXVFZSA-N 0 0 436.964 5.237 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(C)cc(C(=O)Nc3cccc(C(F)(F)F)c3)c12 ZINC000008598171 562954180 /nfs/dbraw/zinc/95/41/80/562954180.db2.gz GQWTVJRIVIKIIJ-UHFFFAOYSA-N 0 0 428.389 5.448 50 0 aggregator IKAARN CCc1ccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000008598144 562954202 /nfs/dbraw/zinc/95/42/02/562954202.db2.gz WDXPCCYSGGUVCN-DEOSSOPVSA-N 0 0 430.573 5.146 50 0 IKAARN CC(=O)c1cccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1 ZINC000008598385 562954232 /nfs/dbraw/zinc/95/42/32/562954232.db2.gz NJFMWLUSPFROHF-UHFFFAOYSA-N 0 0 444.510 5.235 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3ccc(C)cc3)c2C)c1-c1ccc(F)cc1 ZINC000008598388 562954235 /nfs/dbraw/zinc/95/42/35/562954235.db2.gz HKYGYRNHIFVJLR-UHFFFAOYSA-N 0 0 430.527 5.018 50 0 IKAARN CCOc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000008598414 562954240 /nfs/dbraw/zinc/95/42/40/562954240.db2.gz UYIOENBITLOYJF-UHFFFAOYSA-N 0 0 448.954 5.637 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)NCCc1ccccc1 ZINC000008598273 562954247 /nfs/dbraw/zinc/95/42/47/562954247.db2.gz ASCWABFXSFFUFN-UHFFFAOYSA-N 0 0 447.991 5.325 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)c1 ZINC000008598772 562954425 /nfs/dbraw/zinc/95/44/25/562954425.db2.gz CQUWLUPGUZGFAS-UHFFFAOYSA-N 0 0 442.519 5.184 50 0 IKAARN COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1 ZINC000008598765 562954436 /nfs/dbraw/zinc/95/44/36/562954436.db2.gz RVIKOXWDCKYBLC-UHFFFAOYSA-N 0 0 442.519 5.184 50 0 aggregator IKAARN CC(C)Oc1ccc(CNC(=O)c2ccccc2NC(=O)c2nsc3ccccc32)cc1 ZINC000008599156 562954656 /nfs/dbraw/zinc/95/46/56/562954656.db2.gz AUSMEKKWAHWXKW-UHFFFAOYSA-N 0 0 445.544 5.266 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000008599635 562954799 /nfs/dbraw/zinc/95/47/99/562954799.db2.gz ZDNDGLQFFFAYAY-UHFFFAOYSA-N 0 0 431.344 6.634 50 0 IKAARN COc1ccc(OC)c(NC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)c1 ZINC000008599768 562954841 /nfs/dbraw/zinc/95/48/41/562954841.db2.gz WOIVBVMMZRTDQJ-UHFFFAOYSA-N 0 0 442.968 5.515 50 0 IKAARN CCN(CC)c1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008599698 562954862 /nfs/dbraw/zinc/95/48/62/562954862.db2.gz HDUFHTJUNHJPAA-MHZLTWQESA-N 0 0 441.550 5.941 50 0 IKAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000008601048 562955193 /nfs/dbraw/zinc/95/51/93/562955193.db2.gz LQONCZGZGQETPP-UHFFFAOYSA-N 0 0 445.931 5.495 50 0 IKAARN CCOc1ccc(CC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000008601260 562955247 /nfs/dbraw/zinc/95/52/47/562955247.db2.gz KVWGTQRZFXGUIJ-UHFFFAOYSA-N 0 0 434.483 5.129 50 0 IKAARN COc1ccc(-c2nc3sc(CCNC(=O)c4ccc(C(C)(C)C)cc4)c(C)n3n2)cc1 ZINC000008601722 562955598 /nfs/dbraw/zinc/95/55/98/562955598.db2.gz KYYFWVXEEPNORQ-UHFFFAOYSA-N 0 0 448.592 5.045 50 0 IKAARN Cc1c(CCNC(=O)c2ccc(C(C)(C)C)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000008601729 562955616 /nfs/dbraw/zinc/95/56/16/562955616.db2.gz RPSNMKHHMOCRDF-UHFFFAOYSA-N 0 0 436.556 5.175 50 0 IKAARN Cc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)NCc4ccccc4)c32)cc1 ZINC000008602189 562955784 /nfs/dbraw/zinc/95/57/84/562955784.db2.gz KNEDDYIQJBSXJX-UHFFFAOYSA-N 0 0 432.527 5.839 50 0 IKAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc3c2=O)cc1 ZINC000008603501 562956019 /nfs/dbraw/zinc/95/60/19/562956019.db2.gz DGGGRMYJRTYDAQ-UHFFFAOYSA-N 0 0 438.527 5.050 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)c(C)c1 ZINC000008603348 562956021 /nfs/dbraw/zinc/95/60/21/562956021.db2.gz MFUWIPGSQIURTD-UHFFFAOYSA-N 0 0 427.552 5.420 50 0 IKAARN CSc1ccc(CCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000008603737 562956042 /nfs/dbraw/zinc/95/60/42/562956042.db2.gz BCWNWIXPBRINBB-UHFFFAOYSA-N 0 0 425.554 5.135 50 0 IKAARN Cc1cn2c(nc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc2=O)s1 ZINC000008603783 562956107 /nfs/dbraw/zinc/95/61/07/562956107.db2.gz RZPHIRZGYVNPAP-UHFFFAOYSA-N 0 0 447.560 5.193 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008603841 562956117 /nfs/dbraw/zinc/95/61/17/562956117.db2.gz FACZQTHKNAWXCY-UHFFFAOYSA-N 0 0 444.531 5.849 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)c1 ZINC000008604029 562956245 /nfs/dbraw/zinc/95/62/45/562956245.db2.gz FLFMKNMHDFIWDB-UHFFFAOYSA-N 0 0 426.428 5.692 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)c(OC)c1 ZINC000008603969 562956247 /nfs/dbraw/zinc/95/62/47/562956247.db2.gz BXOQIPYYJUVORR-UHFFFAOYSA-N 0 0 448.450 5.023 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000008604021 562956265 /nfs/dbraw/zinc/95/62/65/562956265.db2.gz CUZFXXGXCXXBDQ-UHFFFAOYSA-N 0 0 444.487 5.733 50 0 aggregator IKAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccccc32)cc1 ZINC000008605100 562956581 /nfs/dbraw/zinc/95/65/81/562956581.db2.gz VHECWZZQGIARSA-UHFFFAOYSA-N 0 0 445.540 5.314 50 0 IKAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)cc1 ZINC000008605153 562956604 /nfs/dbraw/zinc/95/66/04/562956604.db2.gz MBTAHDQMMQUSJT-HXUWFJFHSA-N 0 0 437.609 5.235 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4ccc(OC)c(Cl)c4)C3)sc2c1 ZINC000008605128 562956629 /nfs/dbraw/zinc/95/66/29/562956629.db2.gz RJNAATLMLRZVSX-CQSZACIVSA-N 0 0 445.972 5.212 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4cccc(F)c4)c3c2c1 ZINC000008605876 562956888 /nfs/dbraw/zinc/95/68/88/562956888.db2.gz ADSZFNILKUMKOH-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(F)cc32)cc1 ZINC000008605959 562956914 /nfs/dbraw/zinc/95/69/14/562956914.db2.gz RPPVMNKXUZFWGY-UHFFFAOYSA-N 0 0 430.527 5.402 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000008605939 562956919 /nfs/dbraw/zinc/95/69/19/562956919.db2.gz MSDCCXVIKFIKBG-UHFFFAOYSA-N 0 0 442.563 5.271 50 0 IKAARN Cc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(F)cc32)cc1C ZINC000008605958 562956920 /nfs/dbraw/zinc/95/69/20/562956920.db2.gz MCLOVTYZUZOSKW-UHFFFAOYSA-N 0 0 430.527 5.456 50 0 IKAARN Cc1cc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 ZINC000008606457 562957008 /nfs/dbraw/zinc/95/70/08/562957008.db2.gz BFVSKCAMYRYKSO-FQEVSTJZSA-N 0 0 427.523 5.669 50 0 aggregator IKAARN COc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccccc4C)n3)nc2c1 ZINC000008606779 562957182 /nfs/dbraw/zinc/95/71/82/562957182.db2.gz HKLSDWDCPQWIDB-UHFFFAOYSA-N 0 0 436.562 5.110 50 0 aggregator IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 ZINC000008606586 562957086 /nfs/dbraw/zinc/95/70/86/562957086.db2.gz QBNWDDQITPJKSE-LJQANCHMSA-N 0 0 429.495 5.143 50 0 IKAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000008606710 562957178 /nfs/dbraw/zinc/95/71/78/562957178.db2.gz VUQOWQPZKIYUEH-UHFFFAOYSA-N 0 0 448.611 5.357 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2Cl)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000008607036 562957240 /nfs/dbraw/zinc/95/72/40/562957240.db2.gz PZSKFNPEHWKXEQ-UHFFFAOYSA-N 0 0 428.989 5.352 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1Cl ZINC000008608649 562957513 /nfs/dbraw/zinc/95/75/13/562957513.db2.gz MUTSDCBXTFUWOO-UHFFFAOYSA-N 0 0 449.963 5.932 50 0 aggregator IKAARN CCOc1ccccc1NC(=O)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000008609060 562957611 /nfs/dbraw/zinc/95/76/11/562957611.db2.gz AQGNUGMLJPTOAU-XMMPIXPASA-N 0 0 432.589 6.205 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 ZINC000008609081 562957612 /nfs/dbraw/zinc/95/76/12/562957612.db2.gz MBFUPNIFWJINLB-UHFFFAOYSA-N 0 0 431.923 5.281 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000008609059 562957646 /nfs/dbraw/zinc/95/76/46/562957646.db2.gz AQGNUGMLJPTOAU-DEOSSOPVSA-N 0 0 432.589 6.205 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]2c1ccc(F)cc1 ZINC000008609158 562957706 /nfs/dbraw/zinc/95/77/06/562957706.db2.gz CGAIJMVRRAWDGP-NRFANRHFSA-N 0 0 446.950 6.730 50 0 IKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1ccc(Cl)cc1)CCCC3 ZINC000008610091 562958096 /nfs/dbraw/zinc/95/80/96/562958096.db2.gz ZVMRRWXVLZLWPK-UHFFFAOYSA-N 0 0 430.957 5.418 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@@](C)(CC)O4)cc1 ZINC000008611326 562958509 /nfs/dbraw/zinc/95/85/09/562958509.db2.gz XWLGCAXNGOOSPL-RUZDIDTESA-N 0 0 435.476 5.304 50 0 IKAARN CCOc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 ZINC000008611387 562958544 /nfs/dbraw/zinc/95/85/44/562958544.db2.gz MBDPWVZYZMTQEZ-UHFFFAOYSA-N 0 0 428.536 5.316 50 0 IKAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 ZINC000008611584 562958715 /nfs/dbraw/zinc/95/87/15/562958715.db2.gz DVOHDXMXHBBWIY-UHFFFAOYSA-N 0 0 447.535 5.438 50 0 IKAARN Nc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccn2c1C(=O)c1ccccc1 ZINC000008611799 562958769 /nfs/dbraw/zinc/95/87/69/562958769.db2.gz YMCHCSRPBUQLQS-UHFFFAOYSA-N 0 0 439.496 5.272 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)c2c(C)c1 ZINC000008612047 562958938 /nfs/dbraw/zinc/95/89/38/562958938.db2.gz VJCYOZYGMODZQD-UHFFFAOYSA-N 0 0 441.458 6.347 50 0 IKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000008612165 562959025 /nfs/dbraw/zinc/95/90/25/562959025.db2.gz ULXPFCCNLSFPOH-UHFFFAOYSA-N 0 0 428.315 6.792 50 0 aggregator IKAARN Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000008612307 562959188 /nfs/dbraw/zinc/95/91/88/562959188.db2.gz HINYCFLWQUPXJQ-UHFFFAOYSA-N 0 0 445.972 5.222 50 0 IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(F)cc3)c2)cc1OC ZINC000008612822 562959309 /nfs/dbraw/zinc/95/93/09/562959309.db2.gz SWDXIFINLMFRDS-UHFFFAOYSA-N 0 0 448.446 5.452 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000008612882 562959311 /nfs/dbraw/zinc/95/93/11/562959311.db2.gz IKORWCQXIZAGAD-QFIPXVFZSA-N 0 0 431.513 5.470 50 0 IKAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCc3ccc(Cl)cc3)c(C)c21 ZINC000008613022 562959331 /nfs/dbraw/zinc/95/93/31/562959331.db2.gz ZWHNNCSOHVPMCN-UHFFFAOYSA-N 0 0 437.923 5.328 50 0 IKAARN Cc1ccc2nc(NC(=O)c3nc(SCc4ccccc4F)ncc3Cl)sc2c1 ZINC000008613769 562959392 /nfs/dbraw/zinc/95/93/92/562959392.db2.gz IKOQYXMSRXEXGH-UHFFFAOYSA-N 0 0 444.944 5.732 50 0 IKAARN O=C(Nc1nc2ccc(F)cc2s1)c1nc(SCc2ccccc2F)ncc1Cl ZINC000008613773 562959403 /nfs/dbraw/zinc/95/94/03/562959403.db2.gz BFOONOBRVLCPMZ-UHFFFAOYSA-N 0 0 448.907 5.563 50 0 IKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 ZINC000008613753 562959407 /nfs/dbraw/zinc/95/94/07/562959407.db2.gz RHPAPVQAMKQYSX-UHFFFAOYSA-N 0 0 440.981 5.901 50 0 IKAARN Cc1ccc2nc(COc3cccc(NC(=O)Nc4ccc(C)c(Cl)c4)c3)cc(=O)n2c1 ZINC000008619644 562959923 /nfs/dbraw/zinc/95/99/23/562959923.db2.gz FXONTKVKHHSKRG-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000008619659 562959934 /nfs/dbraw/zinc/95/99/34/562959934.db2.gz BGYWUKOISCQGLE-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)cc1 ZINC000008619657 562959943 /nfs/dbraw/zinc/95/99/43/562959943.db2.gz PRTZLFCJJUELAD-UHFFFAOYSA-N 0 0 427.573 6.075 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008627044 562960062 /nfs/dbraw/zinc/96/00/62/562960062.db2.gz QUFRAKZTKBPFBU-OAQYLSRUSA-N 0 0 445.581 5.130 50 0 IKAARN Cc1ccc(C(=O)N2c3nc(-c4ccco4)nn3C3(CCCCC3)[C@@H]3CCCC[C@@H]32)cc1 ZINC000008654765 562960260 /nfs/dbraw/zinc/96/02/60/562960260.db2.gz CFKDGSLKTZRYEL-RTWAWAEBSA-N 0 0 430.552 5.725 50 0 biogenic IKAARN Cc1cccc(C(=O)N2c3nc(-c4ccco4)nn3C3(CCCCC3)[C@@H]3CCCC[C@@H]32)c1 ZINC000008654801 562960270 /nfs/dbraw/zinc/96/02/70/562960270.db2.gz JBIKCXZYVCBGBB-RTWAWAEBSA-N 0 0 430.552 5.725 50 0 biogenic IKAARN O=S(=O)(Cc1ccc(Cl)cc1)c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000008666765 562960591 /nfs/dbraw/zinc/96/05/91/562960591.db2.gz DHURWWPGSYVLLE-UHFFFAOYSA-N 0 0 445.327 5.684 50 0 aggregator IKAARN Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(NCc2ccc(Cl)cc2Cl)n1 ZINC000008670735 562960723 /nfs/dbraw/zinc/96/07/23/562960723.db2.gz AGAYXIREIJZWSY-HHHXNRCGSA-N 0 0 440.783 5.665 50 0 IKAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccccc3F)n2)c(C)n1Cc1cccs1 ZINC000008671363 562960867 /nfs/dbraw/zinc/96/08/67/562960867.db2.gz KHILQICFXQECDF-UHFFFAOYSA-N 0 0 426.542 5.114 50 0 IKAARN CCOc1cc(-c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc(=O)c2c(C)oc(C)c21 ZINC000008673498 562961214 /nfs/dbraw/zinc/96/12/14/562961214.db2.gz ANINBTJSMWSFBX-UHFFFAOYSA-N 0 0 444.483 5.703 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2F)cc1 ZINC000008673484 562961237 /nfs/dbraw/zinc/96/12/37/562961237.db2.gz JMVNMZBUSOIUQN-UHFFFAOYSA-N 0 0 431.492 5.307 50 0 IKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 ZINC000008673668 562961291 /nfs/dbraw/zinc/96/12/91/562961291.db2.gz ISFVAPJDJQHPTQ-UHFFFAOYSA-N 0 0 425.579 5.106 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)N3CCC(C)CC3)s2)c(C)c1Cc1ccccc1Cl ZINC000008673596 562961299 /nfs/dbraw/zinc/96/12/99/562961299.db2.gz UFTSOVMWZITHGF-UHFFFAOYSA-N 0 0 443.016 5.370 50 0 IKAARN COc1cc(C)ccc1OCCSc1nc2ccc(NC(=O)c3ccco3)cc2s1 ZINC000008673735 562961301 /nfs/dbraw/zinc/96/13/01/562961301.db2.gz GTXHWKQNAZMCJO-UHFFFAOYSA-N 0 0 440.546 5.630 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)c(C)c1)cc2Cl ZINC000008682308 562961684 /nfs/dbraw/zinc/96/16/84/562961684.db2.gz UPLYJBUDTFQPAL-UHFFFAOYSA-N 0 0 442.320 5.334 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)N1CCc2ccccc21 ZINC000008673992 562961352 /nfs/dbraw/zinc/96/13/52/562961352.db2.gz SNBIQFKLMUZFBI-UHFFFAOYSA-N 0 0 445.569 5.230 50 0 aggregator IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)cc1 ZINC000008673909 562961356 /nfs/dbraw/zinc/96/13/56/562961356.db2.gz BLHGKCZVKHCGSO-UHFFFAOYSA-N 0 0 439.587 5.649 50 0 aggregator IKAARN O=C(CCCCCNc1[nH]c(=S)nc2ccccc21)NCCc1c[nH]c2ccccc12 ZINC000008682947 562961836 /nfs/dbraw/zinc/96/18/36/562961836.db2.gz HOHMCPRDQSZTES-UHFFFAOYSA-N 0 0 433.581 5.105 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000008683341 562961904 /nfs/dbraw/zinc/96/19/04/562961904.db2.gz XXUHWZPUSQIHCR-IBGZPJMESA-N 0 0 441.984 5.093 50 0 IKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000008683350 562961992 /nfs/dbraw/zinc/96/19/92/562961992.db2.gz GIUVKJRTUZNDHF-UHFFFAOYSA-N 0 0 430.577 5.596 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008683354 562962022 /nfs/dbraw/zinc/96/20/22/562962022.db2.gz DCDYNOIAIQMOPO-QGZVFWFLSA-N 0 0 448.567 5.439 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000008685415 562962455 /nfs/dbraw/zinc/96/24/55/562962455.db2.gz FXSYYMGBMPXVBO-NGHQEWIISA-N 0 0 444.531 5.166 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)Oc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 ZINC000008686977 562962898 /nfs/dbraw/zinc/96/28/98/562962898.db2.gz VLGXWFQMNVOYIC-CQSZACIVSA-N 0 0 436.562 5.297 50 0 IKAARN C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000008687580 562963072 /nfs/dbraw/zinc/96/30/72/562963072.db2.gz IHIUCLFYIRIBAI-SFHVURJKSA-N 0 0 447.494 5.634 50 0 aggregator IKAARN Cc1oc(-c2ccccc2Cl)nc1CN1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000008690994 562963302 /nfs/dbraw/zinc/96/33/02/562963302.db2.gz WDDMDYBPCMTPSP-UHFFFAOYSA-N 0 0 441.918 5.688 50 0 IKAARN CC(C)(C)c1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000008756373 562963906 /nfs/dbraw/zinc/96/39/06/562963906.db2.gz WSPINTRVQVOXEM-UHFFFAOYSA-N 0 0 447.623 5.652 50 0 IKAARN Cc1nn(-c2ccccc2)c(N)c1C(c1c(C)nn(-c2ccccc2)c1N)c1ccccc1 ZINC000008774373 562964036 /nfs/dbraw/zinc/96/40/36/562964036.db2.gz SGSKAJFROSVROE-UHFFFAOYSA-N 0 0 434.547 5.019 50 0 IKAARN COc1ccc(CCNc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000008773120 562964048 /nfs/dbraw/zinc/96/40/48/562964048.db2.gz JIPMLKPLJQQBCK-UHFFFAOYSA-N 0 0 436.943 5.338 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000008773122 562964076 /nfs/dbraw/zinc/96/40/76/562964076.db2.gz UHKQCLUYDWSYTJ-GCTXXEFPSA-N 0 0 440.499 5.012 50 0 IKAARN COc1ccc([C@H](CC(=O)NCc2ccccc2)Sc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000008830495 562964871 /nfs/dbraw/zinc/96/48/71/562964871.db2.gz GUZHTODTKVHHDT-QFIPXVFZSA-N 0 0 444.560 5.020 50 0 IKAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)Nc2cccc(C)c2)c1 ZINC000008860259 562965354 /nfs/dbraw/zinc/96/53/54/562965354.db2.gz NDLNDKHLPVMYHT-UHFFFAOYSA-N 0 0 429.545 5.268 50 0 IKAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](Nc2ccccc2)c2cccnc2)cc1 ZINC000009190786 562968112 /nfs/dbraw/zinc/96/81/12/562968112.db2.gz CHXUUZWXXVSHNQ-IEWVHIKDSA-N 0 0 449.535 6.211 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OCC)c1OCC ZINC000009404848 562970093 /nfs/dbraw/zinc/97/00/93/562970093.db2.gz ZHGPVKTVDZWQER-UHFFFAOYSA-N 0 0 445.519 5.678 50 0 IKAARN CSc1nc2ccc3nc(NC(=O)c4cccc(Br)c4)sc3c2s1 ZINC000009404738 562970104 /nfs/dbraw/zinc/97/01/04/562970104.db2.gz DXADXLBNGAHPDC-UHFFFAOYSA-N 0 0 436.381 5.643 50 0 IKAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)cc1 ZINC000009419949 562970428 /nfs/dbraw/zinc/97/04/28/562970428.db2.gz NIDLJCMHUTXGSS-HSZRJFAPSA-N 0 0 442.544 5.307 50 0 IKAARN CCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000009433580 562970915 /nfs/dbraw/zinc/97/09/15/562970915.db2.gz PBJQSQNEXIIZNA-JWQCQUIFSA-N 0 0 444.600 6.173 50 0 IKAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433261 562970916 /nfs/dbraw/zinc/97/09/16/562970916.db2.gz LGNTZQIHXXXLLH-XZOQPEGZSA-N 0 0 434.561 5.332 50 0 IKAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433262 562970917 /nfs/dbraw/zinc/97/09/17/562970917.db2.gz LGNTZQIHXXXLLH-GOTSBHOMSA-N 0 0 434.561 5.332 50 0 IKAARN CCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000009433582 562971002 /nfs/dbraw/zinc/97/10/02/562971002.db2.gz PBJQSQNEXIIZNA-RPBOFIJWSA-N 0 0 444.600 6.173 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1)c1cccs1 ZINC000009514857 562972730 /nfs/dbraw/zinc/97/27/30/562972730.db2.gz YIOTZMKEVLNJPS-SFHVURJKSA-N 0 0 433.558 5.587 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(F)cc3F)c2C)c1-c1ccc(F)cc1 ZINC000009609338 562974064 /nfs/dbraw/zinc/97/40/64/562974064.db2.gz BSZBREUNJIGSFB-UHFFFAOYSA-N 0 0 438.453 5.310 50 0 IKAARN COc1ccc(-c2nc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)cs2)cc1 ZINC000009730301 562976170 /nfs/dbraw/zinc/97/61/70/562976170.db2.gz MYQPHYCOYZXZAV-IBGZPJMESA-N 0 0 435.574 5.796 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3cccc(Cl)c3)nc21 ZINC000009829766 562977334 /nfs/dbraw/zinc/97/73/34/562977334.db2.gz SVMRJMSFJDUXJR-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1C ZINC000009857846 562977485 /nfs/dbraw/zinc/97/74/85/562977485.db2.gz DSZJMOWOFQTWIY-RPWUZVMVSA-N 0 0 432.589 5.940 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)CSc2nc3ccc(NC(=O)CC)cc3s2)cc1 ZINC000009968753 562978082 /nfs/dbraw/zinc/97/80/82/562978082.db2.gz FXUUVFWDYKQSQR-AWEZNQCLSA-N 0 0 443.594 5.410 50 0 IKAARN Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000011791097 562979308 /nfs/dbraw/zinc/97/93/08/562979308.db2.gz ONYICTGGVHGQPW-AUSIDOKSSA-N 0 0 437.543 5.078 50 0 IKAARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015879094 563018101 /nfs/dbraw/zinc/01/81/01/563018101.db2.gz HOZAXACJMHIHBJ-UHFFFAOYSA-N 0 0 426.538 5.073 50 0 IKAARN CCOc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c32)CC1 ZINC000015940881 563019427 /nfs/dbraw/zinc/01/94/27/563019427.db2.gz ULTXJTNKVGFZMJ-UHFFFAOYSA-N 0 0 446.576 5.092 50 0 IKAARN Cc1cccc(NC(=S)N(CCCN2CCOCC2)[C@H](C)c2cc3ccccc3o2)c1 ZINC000015962137 563020516 /nfs/dbraw/zinc/02/05/16/563020516.db2.gz VHYKUGAICGXLRG-HXUWFJFHSA-N 0 0 437.609 5.224 50 0 IKAARN Cc1cccc(NC(=S)N(CCCN2CCOCC2)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000015962139 563020528 /nfs/dbraw/zinc/02/05/28/563020528.db2.gz VHYKUGAICGXLRG-FQEVSTJZSA-N 0 0 437.609 5.224 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000019707804 563022791 /nfs/dbraw/zinc/02/27/91/563022791.db2.gz BEKCHDAUQRKKOP-QFIPXVFZSA-N 0 0 426.347 5.319 50 0 in-vitro IKAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccc(NC(C)=O)s1 ZINC000019770584 563022937 /nfs/dbraw/zinc/02/29/37/563022937.db2.gz HKAMHGCIIKWODY-RUZDIDTESA-N 0 0 431.561 5.344 50 0 IKAARN CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2cccnc2)cc1 ZINC000037867867 563096022 /nfs/dbraw/zinc/09/60/22/563096022.db2.gz OIVYPJNWXDECMY-UHFFFAOYSA-N 0 0 444.604 5.712 50 0 aggregator IKAARN CCCC[C@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC ZINC000040866790 563108867 /nfs/dbraw/zinc/10/88/67/563108867.db2.gz PGDAEUTURQTTPZ-KRWDZBQOSA-N 0 0 430.961 5.636 50 0 IKAARN O=S(=O)(/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000050567363 563140737 /nfs/dbraw/zinc/14/07/37/563140737.db2.gz GFNKOHYICHFZDD-ZHZULCJRSA-N 0 0 428.435 5.554 50 0 IKAARN Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1 ZINC000066166583 563159791 /nfs/dbraw/zinc/15/97/91/563159791.db2.gz KMGUBUXDNOMSRM-UHFFFAOYSA-N 0 0 441.934 5.371 50 0 in-vitro IKAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCc1ccccc1Cl ZINC000012301190 568612922 /nfs/dbraw/zinc/61/29/22/568612922.db2.gz ZAOZWTLXUVUPKR-UHFFFAOYSA-N 0 0 444.362 5.138 50 0 IKAARN CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(SCc4cccnc4)cc3)CC2=O)cc1 ZINC000024927519 568614165 /nfs/dbraw/zinc/61/41/65/568614165.db2.gz AGLGDBMZVNZYKC-SFHVURJKSA-N 0 0 449.601 5.087 50 0 IKAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000017962757 568620849 /nfs/dbraw/zinc/62/08/49/568620849.db2.gz AIEAUCKZDOVYMT-KRWDZBQOSA-N 0 0 446.576 5.427 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000015408542 568622736 /nfs/dbraw/zinc/62/27/36/568622736.db2.gz PUQDJFSPEKKHRX-UHFFFAOYSA-N 0 0 439.295 5.186 50 0 IKAARN NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000108437393 568625549 /nfs/dbraw/zinc/62/55/49/568625549.db2.gz QKBNYIPMUNDLFE-OAQYLSRUSA-N 0 0 440.440 5.855 50 0 IKAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(Br)s1 ZINC000018939617 568627175 /nfs/dbraw/zinc/62/71/75/568627175.db2.gz OBNIYFIGYKKYCD-HNNXBMFYSA-N 0 0 429.383 5.637 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000000901182 568635951 /nfs/dbraw/zinc/63/59/51/568635951.db2.gz GHNKJPCRIUOKAD-AWEZNQCLSA-N 0 0 446.498 5.348 50 0 IKAARN Cc1nnc(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)n1-c1ccccc1C ZINC000025094504 568636033 /nfs/dbraw/zinc/63/60/33/568636033.db2.gz OOAZNLXUDAPHGP-IBGZPJMESA-N 0 0 428.561 5.145 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1 ZINC000000900416 568636092 /nfs/dbraw/zinc/63/60/92/568636092.db2.gz AWSKBMOVINTING-UHFFFAOYSA-N 0 0 429.876 5.608 50 0 IKAARN COc1cccc(-c2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)c1 ZINC000000908856 568636282 /nfs/dbraw/zinc/63/62/82/568636282.db2.gz DDLJJZSGRBKCIA-UHFFFAOYSA-N 0 0 440.253 5.020 50 0 IKAARN O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn21)c1cc2ccccc2oc1=O ZINC000000936147 568638702 /nfs/dbraw/zinc/63/87/02/568638702.db2.gz ZAOLLRVZEGQDIH-UHFFFAOYSA-N 0 0 431.451 5.513 50 0 IKAARN Cc1c(Cl)cccc1NC1=C(SCc2ccco2)C(=O)N(Cc2ccccc2)C1=O ZINC000000938230 568639266 /nfs/dbraw/zinc/63/92/66/568639266.db2.gz XVVWLMYQVKMUET-UHFFFAOYSA-N 0 0 438.936 5.367 50 0 IKAARN O=C(NCc1ccc(F)c(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000025142022 568639376 /nfs/dbraw/zinc/63/93/76/568639376.db2.gz IXEBOTNGQHRQSN-UHFFFAOYSA-N 0 0 434.854 5.353 50 0 IKAARN O=C(c1ccc2c(c1)OCO2)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000025142067 568639416 /nfs/dbraw/zinc/63/94/16/568639416.db2.gz TXPMFDUEYYAXGY-UHFFFAOYSA-N 0 0 443.478 5.048 50 0 IKAARN COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cs3)cs2)cc1OC ZINC000025142030 568639469 /nfs/dbraw/zinc/63/94/69/568639469.db2.gz FVBMQFGQHZZWAV-UHFFFAOYSA-N 0 0 426.588 6.243 50 0 IKAARN Fc1ccc(-c2nc3ccccc3c(N3CCN(c4ccc(F)cc4F)CC3)n2)c(F)c1 ZINC000025143643 568639652 /nfs/dbraw/zinc/63/96/52/568639652.db2.gz MPSZFXUSMJELSK-UHFFFAOYSA-N 0 0 438.428 5.180 50 0 IKAARN COc1ccc2sc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)nc2c1 ZINC000025143209 568639730 /nfs/dbraw/zinc/63/97/30/568639730.db2.gz XWFKEFSCYURJEA-UHFFFAOYSA-N 0 0 430.576 5.738 50 0 IKAARN CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000025143640 568639776 /nfs/dbraw/zinc/63/97/76/568639776.db2.gz JUGFHPSCZDNYQR-UHFFFAOYSA-N 0 0 439.515 5.105 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1-c1ccc(OC)cc1 ZINC000025143507 568639783 /nfs/dbraw/zinc/63/97/83/568639783.db2.gz YWYGFDHGRVQDBH-UHFFFAOYSA-N 0 0 446.522 6.345 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000025142336 568639872 /nfs/dbraw/zinc/63/98/72/568639872.db2.gz XVVBAAQTMCRAJA-UHFFFAOYSA-N 0 0 442.733 6.752 50 0 IKAARN O=C(c1ccc(F)c(Cl)c1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025142114 568639887 /nfs/dbraw/zinc/63/98/87/568639887.db2.gz BDZXNILMDVQCPW-UHFFFAOYSA-N 0 0 446.913 5.052 50 0 IKAARN Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000025143661 568639938 /nfs/dbraw/zinc/63/99/38/568639938.db2.gz KUJCBCSNOKPDGZ-SANMLTNESA-N 0 0 444.481 5.645 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1-c1ccc(OC)cc1 ZINC000025142091 568639957 /nfs/dbraw/zinc/63/99/57/568639957.db2.gz PKWKBIVSFBPFSD-UHFFFAOYSA-N 0 0 442.559 6.514 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3ccccc3)c2)n(-c2ccccc2F)n1 ZINC000025142497 568639962 /nfs/dbraw/zinc/63/99/62/568639962.db2.gz MJMKWPDUMBRZKP-UHFFFAOYSA-N 0 0 443.478 5.036 50 0 IKAARN Fc1ccc(-c2nc3ccccc3c(N3CCN(c4ccccc4Cl)CC3)n2)c(F)c1 ZINC000025142421 568639981 /nfs/dbraw/zinc/63/99/81/568639981.db2.gz XWCDFMGRSTWLBC-UHFFFAOYSA-N 0 0 436.893 5.555 50 0 IKAARN Cc1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n(-c3ccccc3C)n2)cc1 ZINC000025142469 568639994 /nfs/dbraw/zinc/63/99/94/568639994.db2.gz KWJQMDLLWRINIR-UHFFFAOYSA-N 0 0 435.449 6.427 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1-c1ccc(C)cc1 ZINC000025142075 568640022 /nfs/dbraw/zinc/64/00/22/568640022.db2.gz PTFAWDJXQZGFRX-UHFFFAOYSA-N 0 0 440.587 7.122 50 0 IKAARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)c1c(F)cccc1F ZINC000025142659 568640126 /nfs/dbraw/zinc/64/01/26/568640126.db2.gz AUQPDHUKOMTDEU-UHFFFAOYSA-N 0 0 444.437 5.717 50 0 IKAARN O=C(Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1cc(Cl)sc1Cl ZINC000025142670 568640143 /nfs/dbraw/zinc/64/01/43/568640143.db2.gz XWCVEIXHSKYXDX-UHFFFAOYSA-N 0 0 441.339 6.728 50 0 IKAARN CCCC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000000939987 568640621 /nfs/dbraw/zinc/64/06/21/568640621.db2.gz INPMRSGEMQEVNX-UHFFFAOYSA-N 0 0 436.382 5.202 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(F)c3)c2)n(-c2cccc(C)c2)n1 ZINC000025144462 568640639 /nfs/dbraw/zinc/64/06/39/568640639.db2.gz SDASWWHLWZHJPO-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(F)c(F)c2)c1-c1ccc(C)cc1 ZINC000025144123 568640751 /nfs/dbraw/zinc/64/07/51/568640751.db2.gz MYTPHYSSEOLZFQ-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccs3)c2)n(-c2cccc(F)c2)n1 ZINC000025145103 568640830 /nfs/dbraw/zinc/64/08/30/568640830.db2.gz OZVZKAZTTSCCPD-UHFFFAOYSA-N 0 0 435.480 5.169 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c2ccccc12 ZINC000025144746 568640875 /nfs/dbraw/zinc/64/08/75/568640875.db2.gz QRLUKHRYQWPEAW-UHFFFAOYSA-N 0 0 426.903 5.927 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000025144869 568640960 /nfs/dbraw/zinc/64/09/60/568640960.db2.gz GTOJZBHRIBCQBF-VWLOTQADSA-N 0 0 428.919 6.091 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3F)c2)n(-c2cccc(F)c2)n1 ZINC000025146281 568641056 /nfs/dbraw/zinc/64/10/56/568641056.db2.gz QPTCYTBKWAPQDE-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN COc1cc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)cc(OC)c1OC(C)=O ZINC000025146411 568641079 /nfs/dbraw/zinc/64/10/79/568641079.db2.gz DLOXPCIBUBNUDD-UHFFFAOYSA-N 0 0 447.487 5.730 50 0 IKAARN COc1ccc2ccccc2c1-c1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000025145943 568641160 /nfs/dbraw/zinc/64/11/60/568641160.db2.gz SEXGJJQKUXSTEZ-UHFFFAOYSA-N 0 0 426.903 5.927 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000025146683 568641176 /nfs/dbraw/zinc/64/11/76/568641176.db2.gz HNKJWWAQMOTLRC-VWLOTQADSA-N 0 0 428.919 6.091 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccccc2F)n1 ZINC000025146138 568641207 /nfs/dbraw/zinc/64/12/07/568641207.db2.gz VTFMZVIOJRWEME-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3cccs3)c2)n(-c2cccc(F)c2)n1 ZINC000025145978 568641226 /nfs/dbraw/zinc/64/12/26/568641226.db2.gz PZIZBXVNKITQIS-UHFFFAOYSA-N 0 0 449.507 5.098 50 0 IKAARN CCOc1ccc(OCC)c(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1 ZINC000025147733 568641462 /nfs/dbraw/zinc/64/14/62/568641462.db2.gz CODIOCRVPPBFHP-UHFFFAOYSA-N 0 0 449.503 5.985 50 0 IKAARN Cc1cccc(Oc2c(=O)c3ccc(OC(=O)c4ccco4)cc3oc2C(F)(F)F)c1 ZINC000000942766 568641761 /nfs/dbraw/zinc/64/17/61/568641761.db2.gz XIHOKUMYZTUWNI-UHFFFAOYSA-N 0 0 430.334 5.725 50 0 IKAARN CC(C)C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC000000943926 568641775 /nfs/dbraw/zinc/64/17/75/568641775.db2.gz LFFACLDHCGAAMI-KRWDZBQOSA-N 0 0 438.833 5.008 50 0 IKAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000000942554 568641807 /nfs/dbraw/zinc/64/18/07/568641807.db2.gz UMZJCVKNUAHRMR-CYBMUJFWSA-N 0 0 436.382 5.243 50 0 IKAARN CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000942773 568641869 /nfs/dbraw/zinc/64/18/69/568641869.db2.gz LSTQBOWVZCLFFL-ZDUSSCGKSA-N 0 0 447.281 5.067 50 0 IKAARN CC(C)C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC000000943927 568641914 /nfs/dbraw/zinc/64/19/14/568641914.db2.gz LFFACLDHCGAAMI-QGZVFWFLSA-N 0 0 438.833 5.008 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1cccc3cc[nH]c31)CC2 ZINC000025148783 568642398 /nfs/dbraw/zinc/64/23/98/568642398.db2.gz JHPQVUVLCJDAOM-VWLOTQADSA-N 0 0 446.934 5.626 50 0 IKAARN c1ccc(CCCNc2nc(-c3ccc(Oc4ccccc4)cc3)nc3ccccc32)cc1 ZINC000025149210 568642401 /nfs/dbraw/zinc/64/24/01/568642401.db2.gz ZTGSOUZXSQMTNK-UHFFFAOYSA-N 0 0 431.539 7.134 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccs3)c2)n(-c2ccccc2OC)n1 ZINC000025149259 568642472 /nfs/dbraw/zinc/64/24/72/568642472.db2.gz AJXRPOMQNJQPLP-UHFFFAOYSA-N 0 0 447.516 5.038 50 0 IKAARN CC(C)OC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000000944592 568643067 /nfs/dbraw/zinc/64/30/67/568643067.db2.gz BYWQWVQFVHKJTC-UHFFFAOYSA-N 0 0 447.148 5.091 50 0 IKAARN O=C(c1ccc(-c2ccc(F)c(F)c2)s1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000025152830 568643250 /nfs/dbraw/zinc/64/32/50/568643250.db2.gz BLLVCYKYYVOAFY-VWLOTQADSA-N 0 0 449.497 6.620 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)c1 ZINC000025152467 568643289 /nfs/dbraw/zinc/64/32/89/568643289.db2.gz BDPRXOVDPHACST-LJQANCHMSA-N 0 0 447.538 6.397 50 0 IKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2ccc(-c3ccc(F)c(F)c3)s2)cc1 ZINC000025151648 568643385 /nfs/dbraw/zinc/64/33/85/568643385.db2.gz AUZDBSVPFWDQPD-SANMLTNESA-N 0 0 445.534 6.790 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O)c1ccccc1 ZINC000000946457 568643483 /nfs/dbraw/zinc/64/34/83/568643483.db2.gz XHJZCOXNACJJLD-UHFFFAOYSA-N 0 0 437.245 5.567 50 0 IKAARN COc1cc([C@@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc(OC)c1OC ZINC000000946573 568643525 /nfs/dbraw/zinc/64/35/25/568643525.db2.gz PJJYGEFXYJODEM-OAQYLSRUSA-N 0 0 432.925 6.065 50 0 IKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000025154345 568643603 /nfs/dbraw/zinc/64/36/03/568643603.db2.gz VEPXWRBVQXPCGC-UHFFFAOYSA-N 0 0 446.550 6.954 50 0 IKAARN CC(=O)Nc1ccc2c(CSc3ncc(C(F)(F)F)cc3Cl)cc(=O)oc2c1 ZINC000015088723 568643839 /nfs/dbraw/zinc/64/38/39/568643839.db2.gz YENNBKNTWWHLSQ-UHFFFAOYSA-N 0 0 428.819 5.111 50 0 IKAARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCCC4)c(C)n1Cc1ccco1 ZINC000000952979 568645062 /nfs/dbraw/zinc/64/50/62/568645062.db2.gz ORPNZBKYVOIPGW-UHFFFAOYSA-N 0 0 437.590 5.605 50 0 IKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3c2=O)cc1 ZINC000000950746 568645256 /nfs/dbraw/zinc/64/52/56/568645256.db2.gz JBKPMCBLNWMROT-UHFFFAOYSA-N 0 0 446.455 5.384 50 0 IKAARN O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)N1c1cccc2ccccc21 ZINC000000951851 568645536 /nfs/dbraw/zinc/64/55/36/568645536.db2.gz RCFLRCLRYPQVNW-UHFFFAOYSA-N 0 0 427.685 5.038 50 0 IKAARN Cc1ccsc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc(-c3ccccc3)nn21 ZINC000000956261 568645700 /nfs/dbraw/zinc/64/57/00/568645700.db2.gz WTBONVDMCPACTP-FQEVSTJZSA-N 0 0 427.533 5.243 50 0 IKAARN COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000000955498 568645876 /nfs/dbraw/zinc/64/58/76/568645876.db2.gz FJSJOLVUBWVPCR-UHFFFAOYSA-N 0 0 445.302 5.272 50 0 IKAARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)OCC(=O)Nc1ccc(F)cc1 ZINC000000957187 568645952 /nfs/dbraw/zinc/64/59/52/568645952.db2.gz RFHGOSSSQNKSJK-LHHJGKSTSA-N 0 0 439.870 5.253 50 0 IKAARN COc1ccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000000958073 568646005 /nfs/dbraw/zinc/64/60/05/568646005.db2.gz SVQMKIROTRLQFR-UHFFFAOYSA-N 0 0 434.492 5.132 50 0 IKAARN CCc1ccc(Oc2coc3cc(OCc4ccc(C(=O)OC)cc4)ccc3c2=O)cc1 ZINC000000957166 568646082 /nfs/dbraw/zinc/64/60/82/568646082.db2.gz PXKDIFVWGICDIS-UHFFFAOYSA-N 0 0 430.456 5.513 50 0 IKAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(C)cc1)c2=O ZINC000000958110 568646164 /nfs/dbraw/zinc/64/61/64/568646164.db2.gz MKPFXSSLTDZLMX-CYBMUJFWSA-N 0 0 436.382 5.243 50 0 IKAARN COc1cccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000000958654 568646331 /nfs/dbraw/zinc/64/63/31/568646331.db2.gz OLMYQXPUXFZCFG-UHFFFAOYSA-N 0 0 444.556 5.031 50 0 IKAARN O=C(NC1CCCC1)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025161192 568646755 /nfs/dbraw/zinc/64/67/55/568646755.db2.gz AWFYWJXHFKICPZ-UHFFFAOYSA-N 0 0 437.568 6.580 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000000953144 568647025 /nfs/dbraw/zinc/64/70/25/568647025.db2.gz OAXUARBIMLUDHS-ACCUITESSA-N 0 0 437.517 5.261 50 0 IKAARN Nc1c(C(=O)Nc2c(Cl)cccc2Cl)sc2nc3c(c(C(F)(F)F)c12)CCC3 ZINC000000971488 568647521 /nfs/dbraw/zinc/64/75/21/568647521.db2.gz JYSABAULTMZBCF-UHFFFAOYSA-N 0 0 446.281 5.945 50 0 IKAARN CC(C)[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000000971342 568647564 /nfs/dbraw/zinc/64/75/64/568647564.db2.gz NZCQGJANRLIQDG-QFIPXVFZSA-N 0 0 428.513 5.137 50 0 IKAARN CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000974547 568647744 /nfs/dbraw/zinc/64/77/44/568647744.db2.gz KBROIQRLLAQADL-UHFFFAOYSA-N 0 0 443.499 5.408 50 0 IKAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000000976947 568647983 /nfs/dbraw/zinc/64/79/83/568647983.db2.gz WKHHRZCZCZVROV-MRXNPFEDSA-N 0 0 444.004 5.300 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1ccncc1 ZINC000000976597 568648020 /nfs/dbraw/zinc/64/80/20/568648020.db2.gz BHEZPYOCGZLIOP-UHFFFAOYSA-N 0 0 441.350 5.268 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)C2CCCCC2)cc1 ZINC000000976610 568648023 /nfs/dbraw/zinc/64/80/23/568648023.db2.gz XURIAMATCGSCBR-UHFFFAOYSA-N 0 0 434.565 5.205 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000000976880 568648039 /nfs/dbraw/zinc/64/80/39/568648039.db2.gz UEHUNMYSWYPQFZ-UHFFFAOYSA-N 0 0 428.561 5.346 50 0 IKAARN COc1ccc(-n2nc3ccc(NC(=O)[C@@H](c4ccccc4)C4CCCC4)cc3n2)cc1 ZINC000000986880 568649027 /nfs/dbraw/zinc/64/90/27/568649027.db2.gz MLWQAOJPWUQRLA-VWLOTQADSA-N 0 0 426.520 5.342 50 0 IKAARN CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc2ccccc2c1 ZINC000000998168 568649552 /nfs/dbraw/zinc/64/95/52/568649552.db2.gz VNYQFBORJCQSIA-RUZDIDTESA-N 0 0 437.499 5.150 50 0 IKAARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@H]2C(=O)c1ccccc1 ZINC000000998242 568649614 /nfs/dbraw/zinc/64/96/14/568649614.db2.gz MDNLBTNGXBLAMZ-VWLOTQADSA-N 0 0 429.560 6.009 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 ZINC000000998329 568649632 /nfs/dbraw/zinc/64/96/32/568649632.db2.gz DBIWNYDFUXHSHY-UHFFFAOYSA-N 0 0 443.956 5.375 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1cccc(COc2ccccc2Br)c1 ZINC000000999772 568649832 /nfs/dbraw/zinc/64/98/32/568649832.db2.gz BPYQJXRYTLUMAC-UHFFFAOYSA-N 0 0 440.293 5.067 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000000999796 568649864 /nfs/dbraw/zinc/64/98/64/568649864.db2.gz NUEFNQJYIIUFCU-UHFFFAOYSA-N 0 0 435.911 5.626 50 0 IKAARN O=C(c1ccccc1Br)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000001001092 568650092 /nfs/dbraw/zinc/65/00/92/568650092.db2.gz JCQYBBPGERSKMV-QHCPKHFHSA-N 0 0 431.333 5.718 50 0 IKAARN Nc1c(-c2nc(-c3ccccc3)cs2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000001027202 568653372 /nfs/dbraw/zinc/65/33/72/568653372.db2.gz CWWBCHFXEIEUCL-UHFFFAOYSA-N 0 0 429.932 6.196 50 0 IKAARN O=P1(NCCCN2CCOCC2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000025326074 568653374 /nfs/dbraw/zinc/65/33/74/568653374.db2.gz FZZLDJBOYXNMLE-UHFFFAOYSA-N 0 0 426.522 5.320 50 0 IKAARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000001027019 568653531 /nfs/dbraw/zinc/65/35/31/568653531.db2.gz CFOHICJDVBLLHQ-AUSIDOKSSA-N 0 0 444.314 5.544 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000001057529 568654387 /nfs/dbraw/zinc/65/43/87/568654387.db2.gz FHHNUJCHIJZUCB-GFCCVEGCSA-N 0 0 430.982 6.092 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000001071220 568654928 /nfs/dbraw/zinc/65/49/28/568654928.db2.gz KXURMIGWWSNFBN-UHFFFAOYSA-N 0 0 430.339 5.550 50 0 IKAARN O=C(c1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000001060690 568655871 /nfs/dbraw/zinc/65/58/71/568655871.db2.gz LGLNINDXYLXPNZ-XMMPIXPASA-N 0 0 430.891 5.338 50 0 biogenic IKAARN COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)cc1F ZINC000025390726 568656250 /nfs/dbraw/zinc/65/62/50/568656250.db2.gz NFIQWOSFEMYYQV-UHFFFAOYSA-N 0 0 434.540 5.893 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 ZINC000001075868 568656818 /nfs/dbraw/zinc/65/68/18/568656818.db2.gz LHSDACWXALDYHA-UHFFFAOYSA-N 0 0 441.988 5.538 50 0 IKAARN CCOc1ccc(-c2nc3c(sc(=S)n3Cc3ccccc3)c(=O)[nH]2)cc1OCC ZINC000001080782 568657285 /nfs/dbraw/zinc/65/72/85/568657285.db2.gz RSEPBPGAKNVOTR-UHFFFAOYSA-N 0 0 439.562 5.028 50 0 IKAARN Cc1cccc2sc(NC(=O)c3ccc(COc4cc(Cl)ccc4Cl)o3)nc21 ZINC000001083393 568657511 /nfs/dbraw/zinc/65/75/11/568657511.db2.gz QDBKLYWKIOQZPY-UHFFFAOYSA-N 0 0 433.316 6.336 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000001083490 568657516 /nfs/dbraw/zinc/65/75/16/568657516.db2.gz UDCGACKPVCJWGY-UHFFFAOYSA-N 0 0 445.327 6.541 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000001099422 568659087 /nfs/dbraw/zinc/65/90/87/568659087.db2.gz WLTHHZFDAKVKOF-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)oc21 ZINC000001115204 568659721 /nfs/dbraw/zinc/65/97/21/568659721.db2.gz JMQYDAPGRZXRDC-UHFFFAOYSA-N 0 0 431.288 5.092 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000001114664 568659761 /nfs/dbraw/zinc/65/97/61/568659761.db2.gz VYQVOIMOHDSVMC-UHFFFAOYSA-N 0 0 429.469 5.000 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000025518302 568660640 /nfs/dbraw/zinc/66/06/40/568660640.db2.gz AHZCILGLJXHBPD-LJQANCHMSA-N 0 0 436.533 5.182 50 0 IKAARN CCc1cc2c(cc1OC(=O)c1cccs1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001125636 568661270 /nfs/dbraw/zinc/66/12/70/568661270.db2.gz HIMIJPBXDBKGHU-UHFFFAOYSA-N 0 0 434.469 5.074 50 0 biogenic IKAARN COc1ccc(C(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2OC)c3=O)cc1 ZINC000001128691 568661540 /nfs/dbraw/zinc/66/15/40/568661540.db2.gz IVJJYONNFHSMNE-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 biogenic IKAARN CCc1cc2c(cc1OC(=O)c1cccs1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001131733 568662026 /nfs/dbraw/zinc/66/20/26/568662026.db2.gz BSHQRLRHLYMZIB-UHFFFAOYSA-N 0 0 448.496 5.464 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4OC)ccc3c2=O)cc1OC ZINC000001132907 568662065 /nfs/dbraw/zinc/66/20/65/568662065.db2.gz KOJIEEYOLCKPGG-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 biogenic IKAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)OCc3ccccc3)ccc2c1=O ZINC000001132316 568662120 /nfs/dbraw/zinc/66/21/20/568662120.db2.gz NBAURDJTOBHDMK-UHFFFAOYSA-N 0 0 446.455 5.025 50 0 biogenic IKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(C(=O)OC)cc3)cc21 ZINC000001156084 568663646 /nfs/dbraw/zinc/66/36/46/568663646.db2.gz JXMOHNHULNTBII-UHFFFAOYSA-N 0 0 447.281 5.046 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 ZINC000001158776 568664176 /nfs/dbraw/zinc/66/41/76/568664176.db2.gz GQSPQYKMSNENPO-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1Br ZINC000001152935 568664268 /nfs/dbraw/zinc/66/42/68/568664268.db2.gz USNSAJRRYTYAOF-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc(F)cc2)C1=O)c1ccccc1 ZINC000001166326 568664476 /nfs/dbraw/zinc/66/44/76/568664476.db2.gz GGBOOEYANZUIFC-UCQKPKSFSA-N 0 0 447.487 5.324 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(Cl)cc2)cc1 ZINC000001167984 568664914 /nfs/dbraw/zinc/66/49/14/568664914.db2.gz IFLMVFIURVDAPU-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4C)ccc3o2)cc1 ZINC000001170075 568684891 /nfs/dbraw/zinc/68/48/91/568684891.db2.gz ZCPFWSNGQVJDBR-UHFFFAOYSA-N 0 0 431.517 5.329 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 ZINC000015187293 568732040 /nfs/dbraw/zinc/73/20/40/568732040.db2.gz XCXUTBFOVSBZMG-JOCHJYFZSA-N 0 0 430.533 5.138 50 0 IKAARN COc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)c(OC)c3)n2)c1 ZINC000034712296 568732579 /nfs/dbraw/zinc/73/25/79/568732579.db2.gz QZPYLDPIIGDHMK-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000034717220 568732924 /nfs/dbraw/zinc/73/29/24/568732924.db2.gz UUURPLRQSTTXHC-UHFFFAOYSA-N 0 0 432.467 5.548 50 0 IKAARN CC(C)C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000001178705 568735907 /nfs/dbraw/zinc/73/59/07/568735907.db2.gz QQJUCUZXIGYFMV-KRWDZBQOSA-N 0 0 439.726 5.296 50 0 IKAARN CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000001183489 568736169 /nfs/dbraw/zinc/73/61/69/568736169.db2.gz VGGVRSUFNRNDBT-YVLHZVERSA-N 0 0 436.302 5.223 50 0 IKAARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)cc1 ZINC000001198382 568736820 /nfs/dbraw/zinc/73/68/20/568736820.db2.gz MMIZWNRHDRUCSY-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN O=C(CCCCCCCCCCC(=O)NCCC1=CCCCC1)NCCC1=CCCCC1 ZINC000005829976 568737733 /nfs/dbraw/zinc/73/77/33/568737733.db2.gz GNUVHZTVYXYKSM-UHFFFAOYSA-N 0 0 444.704 6.901 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000137074509 568738370 /nfs/dbraw/zinc/73/83/70/568738370.db2.gz CAYJOPXHPVZJNE-UIOOFZCWSA-N 0 0 435.531 5.212 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001755842 568738375 /nfs/dbraw/zinc/73/83/75/568738375.db2.gz ZHUBKPUPQGZTAQ-UHFFFAOYSA-N 0 0 432.589 5.778 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000034858591 568738409 /nfs/dbraw/zinc/73/84/09/568738409.db2.gz JLFMHBKYLWAKFZ-SFHVURJKSA-N 0 0 442.588 5.656 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 ZINC000001760723 568738580 /nfs/dbraw/zinc/73/85/80/568738580.db2.gz WHFQAMRGDHEMGN-LJQANCHMSA-N 0 0 442.650 6.135 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(C(C)C)cc2)sc2c1CCCCCC2 ZINC000005948039 568739108 /nfs/dbraw/zinc/73/91/08/568739108.db2.gz WZJPGPVAULOXGO-UHFFFAOYSA-N 0 0 430.639 6.516 50 0 IKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000001213740 568739137 /nfs/dbraw/zinc/73/91/37/568739137.db2.gz TVGAJSJJSAQBCH-MJGOQNOKSA-N 0 0 448.876 6.012 50 0 IKAARN CCOC(=O)c1c(NC(=S)N2CCCc3cc(C)ccc32)sc2c1CCCCCC2 ZINC000005948013 568739206 /nfs/dbraw/zinc/73/92/06/568739206.db2.gz MSZFZAUBMYGTTH-UHFFFAOYSA-N 0 0 442.650 6.042 50 0 IKAARN CCOC(=O)c1c(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)sc2c1CCCCC2 ZINC000005948021 568739218 /nfs/dbraw/zinc/73/92/18/568739218.db2.gz RLBVFPBGOLROSC-AWEZNQCLSA-N 0 0 446.613 5.871 50 0 IKAARN CCCc1sc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Br ZINC000005946877 568739224 /nfs/dbraw/zinc/73/92/24/568739224.db2.gz AWAHFMDCRGMJQB-UHFFFAOYSA-N 0 0 427.795 5.079 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2Cl)c3=O)cc1OC ZINC000001770875 568739307 /nfs/dbraw/zinc/73/93/07/568739307.db2.gz AADGYBYPLUNFBM-UHFFFAOYSA-N 0 0 436.847 5.350 50 0 biogenic IKAARN CCC(C)(C)c1ccc(Oc2ccccc2NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000005950882 568739340 /nfs/dbraw/zinc/73/93/40/568739340.db2.gz YOKZEPPHXJVUBM-UHFFFAOYSA-N 0 0 425.528 7.278 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)c1ccccc1Cl ZINC000001775125 568739544 /nfs/dbraw/zinc/73/95/44/568739544.db2.gz FMAMQMBCEJEPKU-UHFFFAOYSA-N 0 0 427.239 6.111 50 0 IKAARN O=S1(=O)Cc2c(nc3ccc(Cl)cc3c2-c2ccccc2Cl)-c2cc(F)ccc21 ZINC000005988977 568739816 /nfs/dbraw/zinc/73/98/16/568739816.db2.gz VAJMAQVSAICCTJ-UHFFFAOYSA-N 0 0 444.314 6.302 50 0 IKAARN CCCCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc32)cc1 ZINC000001777814 568739862 /nfs/dbraw/zinc/73/98/62/568739862.db2.gz WFRHYSNXOXEQBG-UHFFFAOYSA-N 0 0 434.536 6.201 50 0 IKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1cccc3ccccc31)c1ccccc21 ZINC000001801183 568740404 /nfs/dbraw/zinc/74/04/04/568740404.db2.gz ANLGMJLDKBQZLC-UHFFFAOYSA-N 0 0 437.495 6.189 50 0 IKAARN Cc1cccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 ZINC000001804153 568740406 /nfs/dbraw/zinc/74/04/06/568740406.db2.gz KZOGWGCBWCPESJ-UHFFFAOYSA-N 0 0 448.613 5.899 50 0 IKAARN Cc1cccc(C)c1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001798712 568740496 /nfs/dbraw/zinc/74/04/96/568740496.db2.gz LLFUMAZSQCYTQR-UHFFFAOYSA-N 0 0 432.951 6.193 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc(C(C)(C)C)cc2)c3=O)cc1 ZINC000001807457 568740879 /nfs/dbraw/zinc/74/08/79/568740879.db2.gz QNDJNFMNFPFSEZ-UHFFFAOYSA-N 0 0 444.483 6.111 50 0 biogenic IKAARN Fc1cc2cccnc2c(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 ZINC000031613238 568741189 /nfs/dbraw/zinc/74/11/89/568741189.db2.gz BMQSHEACLSVJBE-UHFFFAOYSA-N 0 0 427.508 5.368 50 0 IKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(F)cc3Cl)cc21 ZINC000001810439 568741210 /nfs/dbraw/zinc/74/12/10/568741210.db2.gz NYMPSUGMQVWGEV-UHFFFAOYSA-N 0 0 441.680 6.052 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001821162 568741652 /nfs/dbraw/zinc/74/16/52/568741652.db2.gz GSWBLHROBHCPPB-HHHXNRCGSA-N 0 0 432.633 6.465 50 0 IKAARN Brc1ccccc1-c1nnc(SCc2nccn2Cc2ccccc2)o1 ZINC000031702599 568741879 /nfs/dbraw/zinc/74/18/79/568741879.db2.gz BSHPDISRWRFIDN-UHFFFAOYSA-N 0 0 427.327 5.036 50 0 IKAARN CC(C)(C)c1ccc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)cc1 ZINC000001915234 568742187 /nfs/dbraw/zinc/74/21/87/568742187.db2.gz BBZHMBAPASRFPP-UHFFFAOYSA-N 0 0 428.528 6.894 50 0 IKAARN CCCCCOc1ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc2c1 ZINC000001913157 568742229 /nfs/dbraw/zinc/74/22/29/568742229.db2.gz LNZFIMQGXISEPO-UHFFFAOYSA-N 0 0 426.818 6.827 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1cccc(Nc2ncnc3ccc(Br)cc32)c1 ZINC000001912305 568742267 /nfs/dbraw/zinc/74/22/67/568742267.db2.gz DHEIHBLSSTUCSW-FMIVXFBMSA-N 0 0 446.304 5.755 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000001919148 568742397 /nfs/dbraw/zinc/74/23/97/568742397.db2.gz QKEWTZSLRHWOMG-UHFFFAOYSA-N 0 0 443.908 5.041 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002082072 568742543 /nfs/dbraw/zinc/74/25/43/568742543.db2.gz PEJOTLAHBMTACX-UHFFFAOYSA-N 0 0 434.564 7.124 50 0 IKAARN COCCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 ZINC000002103228 568742787 /nfs/dbraw/zinc/74/27/87/568742787.db2.gz PWKZNYVUGUMMIQ-UHFFFAOYSA-N 0 0 443.352 5.381 50 0 IKAARN COc1ccc(C(=O)COc2ccc3c(c2)oc(C)c(Oc2cccc(OC)c2)c3=O)cc1 ZINC000002152977 568742964 /nfs/dbraw/zinc/74/29/64/568742964.db2.gz YILJDBNKCQKBID-UHFFFAOYSA-N 0 0 446.455 5.173 50 0 biogenic IKAARN COc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 ZINC000003211945 568742978 /nfs/dbraw/zinc/74/29/78/568742978.db2.gz KLHWCIZPLKXNSK-OAQYLSRUSA-N 0 0 428.301 6.023 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(Cl)s1 ZINC000003200946 568742982 /nfs/dbraw/zinc/74/29/82/568742982.db2.gz KXKVWRFGUHZSCS-UHFFFAOYSA-N 0 0 431.007 6.871 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 ZINC000003217161 568743114 /nfs/dbraw/zinc/74/31/14/568743114.db2.gz AOZCJVQDJSHLFD-UHFFFAOYSA-N 0 0 445.559 5.697 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3ccccc3Cl)cc2)cc1 ZINC000003225021 568743122 /nfs/dbraw/zinc/74/31/22/568743122.db2.gz ZBQWLVQKTUWVES-UHFFFAOYSA-N 0 0 440.008 7.551 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000003219331 568743151 /nfs/dbraw/zinc/74/31/51/568743151.db2.gz SFDJDZIXAPQBFH-UHFFFAOYSA-N 0 0 440.377 5.309 50 0 IKAARN CCOc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)cc1 ZINC000003227381 568743269 /nfs/dbraw/zinc/74/32/69/568743269.db2.gz ZZMQXSAEKBJVNV-UHFFFAOYSA-N 0 0 428.583 5.214 50 0 IKAARN S=C(NCc1ccccc1)Nc1ccc(NC(=S)NCc2ccccc2)c(Cl)c1 ZINC000003231826 568743333 /nfs/dbraw/zinc/74/33/33/568743333.db2.gz TYKRNNDRKAZJFY-UHFFFAOYSA-N 0 0 441.025 5.313 50 0 IKAARN Fc1ccc(-n2c(SCc3cn4ccsc4n3)nnc2-c2ccccc2)c(F)c1 ZINC000003236009 568743534 /nfs/dbraw/zinc/74/35/34/568743534.db2.gz ODICECHJPCINDE-UHFFFAOYSA-N 0 0 425.489 5.214 50 0 IKAARN O=C(CSc1ncnc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003253851 568744093 /nfs/dbraw/zinc/74/40/93/568744093.db2.gz PTDFWUIRCWUOOJ-UHFFFAOYSA-N 0 0 437.977 6.165 50 0 IKAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000003270329 568744685 /nfs/dbraw/zinc/74/46/85/568744685.db2.gz KKPCIKRRAOTZGB-SXOMAYOGSA-N 0 0 438.548 6.687 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000003270562 568744688 /nfs/dbraw/zinc/74/46/88/568744688.db2.gz ILXQBTCXPNHRPK-UHFFFAOYSA-N 0 0 449.576 5.097 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003280100 568744757 /nfs/dbraw/zinc/74/47/57/568744757.db2.gz XWAXXBCGFYKMKM-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN CCCc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000003287083 568744980 /nfs/dbraw/zinc/74/49/80/568744980.db2.gz QZZSRXLHZYENMZ-LJQANCHMSA-N 0 0 442.584 5.761 50 0 IKAARN COc1cccc(NCc2ccccc2OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000003281306 568744983 /nfs/dbraw/zinc/74/49/83/568744983.db2.gz ZLGCJLZUZGGRML-UHFFFAOYSA-N 0 0 446.425 5.223 50 0 IKAARN CCc1ccc(OCc2nnc(SCc3cccc(C(F)(F)F)c3)n2CC(C)C)cc1 ZINC000003297114 568745302 /nfs/dbraw/zinc/74/53/02/568745302.db2.gz UHADLMKPKNAQTM-UHFFFAOYSA-N 0 0 449.542 6.387 50 0 IKAARN CCCCN1C(=O)c2ccc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)cc2C1=O ZINC000003294157 568745327 /nfs/dbraw/zinc/74/53/27/568745327.db2.gz FJASUQBUAFYYCQ-UHFFFAOYSA-N 0 0 442.471 5.243 50 0 IKAARN Cc1ccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)c(C)c1 ZINC000003296048 568745362 /nfs/dbraw/zinc/74/53/62/568745362.db2.gz MNQUHRSAYMLAON-UHFFFAOYSA-N 0 0 436.400 5.832 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000003292235 568745371 /nfs/dbraw/zinc/74/53/71/568745371.db2.gz WQUYIBRIFGZBNA-HXUWFJFHSA-N 0 0 443.616 6.523 50 0 IKAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003298274 568745550 /nfs/dbraw/zinc/74/55/50/568745550.db2.gz PGQTXJSODHODHU-UHFFFAOYSA-N 0 0 448.828 5.145 50 0 IKAARN c1sc2nc(CN3CCCCC3)nc(Oc3ccc4c(c3)OCO4)c2c1-c1ccccc1 ZINC000003326728 568746020 /nfs/dbraw/zinc/74/60/20/568746020.db2.gz JHCNXLSKCVQBBL-UHFFFAOYSA-N 0 0 445.544 5.865 50 0 IKAARN Cn1c2ccccc2c(C(=O)CSc2nnc(-c3ccccc3)o2)c1-c1ccccc1 ZINC000003326219 568746218 /nfs/dbraw/zinc/74/62/18/568746218.db2.gz UKTQZXADQGLPBV-UHFFFAOYSA-N 0 0 425.513 5.870 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000003337528 568746457 /nfs/dbraw/zinc/74/64/57/568746457.db2.gz HBVPGIOSOXHACM-UHFFFAOYSA-N 0 0 434.583 7.394 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2)cc1C ZINC000003348603 568746695 /nfs/dbraw/zinc/74/66/95/568746695.db2.gz MDUHTHBBKLNHGE-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2ccccc2)n1C)c1ccccc1 ZINC000003347398 568746713 /nfs/dbraw/zinc/74/67/13/568746713.db2.gz BKJCFKWABYMSFF-QFIPXVFZSA-N 0 0 444.560 5.271 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003355744 568747093 /nfs/dbraw/zinc/74/70/93/568747093.db2.gz YUQKXCUZFBOEDX-QMMMGPOBSA-N 0 0 447.800 5.623 50 0 IKAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 ZINC000003365396 568747301 /nfs/dbraw/zinc/74/73/01/568747301.db2.gz JQDSJWCWVGFLSL-UHFFFAOYSA-N 0 0 436.920 5.118 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1cncc(Br)c1 ZINC000003364220 568747412 /nfs/dbraw/zinc/74/74/12/568747412.db2.gz RJAWIWCIFKVPLC-UHFFFAOYSA-N 0 0 433.664 5.120 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2cccc(Cl)c2)cc1 ZINC000044087314 568747529 /nfs/dbraw/zinc/74/75/29/568747529.db2.gz FSESDDCMAZSRSN-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000044087217 568747566 /nfs/dbraw/zinc/74/75/66/568747566.db2.gz XCVJDOSMOFTYSH-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)s1 ZINC000044087227 568747576 /nfs/dbraw/zinc/74/75/76/568747576.db2.gz BUPLLFCHVTYRRJ-UHFFFAOYSA-N 0 0 441.969 5.083 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000044087260 568747590 /nfs/dbraw/zinc/74/75/90/568747590.db2.gz ZZMLSCCWZVQTOA-UHFFFAOYSA-N 0 0 449.963 5.932 50 0 IKAARN Fc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCc2ccccc2)cc1 ZINC000044087192 568747592 /nfs/dbraw/zinc/74/75/92/568747592.db2.gz QVMUNQVPVSYQQK-UHFFFAOYSA-N 0 0 439.353 6.733 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088192 568747721 /nfs/dbraw/zinc/74/77/21/568747721.db2.gz KJTAVZFIUFXOPK-UHFFFAOYSA-N 0 0 431.508 5.066 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087775 568747740 /nfs/dbraw/zinc/74/77/40/568747740.db2.gz DMHBMEZPVWLWHZ-UHFFFAOYSA-N 0 0 445.510 5.581 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000003369303 568747746 /nfs/dbraw/zinc/74/77/46/568747746.db2.gz WUMCDZBNSAILST-GOSISDBHSA-N 0 0 448.828 5.158 50 0 IKAARN NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087848 568747752 /nfs/dbraw/zinc/74/77/52/568747752.db2.gz CWLYTJZFVPIQRR-UHFFFAOYSA-N 0 0 446.281 5.442 50 0 IKAARN Fc1ccc(CSc2ncc(-c3ccccc3)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088111 568747782 /nfs/dbraw/zinc/74/77/82/568747782.db2.gz GOKPNPGZWYTFLJ-UHFFFAOYSA-N 0 0 426.463 6.572 50 0 IKAARN CC(C)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087846 568747791 /nfs/dbraw/zinc/74/77/91/568747791.db2.gz FECFUZLLDJPHIV-UHFFFAOYSA-N 0 0 445.337 7.613 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(C)cc2)cc1 ZINC000044086476 568747987 /nfs/dbraw/zinc/74/79/87/568747987.db2.gz VHIWCTHOGNYZIF-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000003408557 568748498 /nfs/dbraw/zinc/74/84/98/568748498.db2.gz LJMOKIMQUAASLQ-UHFFFAOYSA-N 0 0 438.553 5.483 50 0 IKAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c1 ZINC000003412719 568748754 /nfs/dbraw/zinc/74/87/54/568748754.db2.gz UJFHQIXMRULNFM-IBGZPJMESA-N 0 0 441.984 5.369 50 0 IKAARN CCOc1ncccc1C(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3)c2C)cs1 ZINC000003414251 568748765 /nfs/dbraw/zinc/74/87/65/568748765.db2.gz RBHRLVCCFWNQPK-UHFFFAOYSA-N 0 0 432.549 5.323 50 0 IKAARN CCN(C(=O)COc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2ccccc21 ZINC000003447480 568749668 /nfs/dbraw/zinc/74/96/68/568749668.db2.gz LWSLAYIFYBGFIS-UHFFFAOYSA-N 0 0 438.552 6.548 50 0 IKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000003466257 568749831 /nfs/dbraw/zinc/74/98/31/568749831.db2.gz MQHSSHWUSDJLQY-SFHVURJKSA-N 0 0 428.263 5.835 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003486973 568750168 /nfs/dbraw/zinc/75/01/68/568750168.db2.gz RFOPMOPYZAQGIX-UHFFFAOYSA-N 0 0 449.146 6.081 50 0 IKAARN O=[S@](CCSc1nnc2c(Cl)cc(Cl)cn12)c1cc(Cl)ccc1Cl ZINC000084343900 568797187 /nfs/dbraw/zinc/79/71/87/568797187.db2.gz FECHMJWNKPIYAI-DEOSSOPVSA-N 0 0 441.192 5.243 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2 ZINC000012569726 568750371 /nfs/dbraw/zinc/75/03/71/568750371.db2.gz ZCVISYMJYWAPHE-TWSMWQQMSA-N 0 0 437.605 5.456 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)cs2)cc1 ZINC000003503858 568750373 /nfs/dbraw/zinc/75/03/73/568750373.db2.gz UUHQBJNIRNOUGH-IBGZPJMESA-N 0 0 436.562 5.052 50 0 IKAARN CCOc1ccc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000003581529 568751081 /nfs/dbraw/zinc/75/10/81/568751081.db2.gz IAMYVFLRWMRUFU-UHFFFAOYSA-N 0 0 434.536 5.958 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2c[nH]c3ccccc32)sc2c1CCCCC2 ZINC000003582121 568751091 /nfs/dbraw/zinc/75/10/91/568751091.db2.gz UFEPHFNIYSZVCN-CQSZACIVSA-N 0 0 442.606 5.794 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Sc2c[nH]c3ccccc32)sc2c1CCCCC2 ZINC000003582122 568751105 /nfs/dbraw/zinc/75/11/05/568751105.db2.gz UFEPHFNIYSZVCN-AWEZNQCLSA-N 0 0 442.606 5.794 50 0 IKAARN COc1ccc(NC(=O)CSc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000003582043 568751161 /nfs/dbraw/zinc/75/11/61/568751161.db2.gz MGWLXOJHLRFVAI-UHFFFAOYSA-N 0 0 436.964 6.082 50 0 IKAARN Cc1nnc(NC(=O)CSc2cn(Cc3ccccc3Cl)c3ccccc23)s1 ZINC000003582071 568751169 /nfs/dbraw/zinc/75/11/69/568751169.db2.gz ZAWVBHMBDUIMOR-UHFFFAOYSA-N 0 0 428.970 5.234 50 0 IKAARN COc1ccc(Cc2noc(-c3cc(-c4ccc(F)cc4)nc4ccccc43)n2)cc1OC ZINC000003583526 568751306 /nfs/dbraw/zinc/75/13/06/568751306.db2.gz VEDVFUOFZPEQGK-UHFFFAOYSA-N 0 0 441.462 5.699 50 0 IKAARN Cc1ccc([C@H](NC(=O)Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000003615507 568751592 /nfs/dbraw/zinc/75/15/92/568751592.db2.gz YXEJCZYQMDRJOZ-MHZLTWQESA-N 0 0 439.559 5.638 50 0 IKAARN O=c1[nH]c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)nc2sc3c(c21)CCCC3 ZINC000003623525 568751736 /nfs/dbraw/zinc/75/17/36/568751736.db2.gz JIGSSOJWRPTJQI-UHFFFAOYSA-N 0 0 432.423 5.689 50 0 IKAARN CCCc1nc2c(sc(=S)n2-c2ccccc2)c(N2CC[C@H](c3ccccc3)C2)n1 ZINC000003629039 568751937 /nfs/dbraw/zinc/75/19/37/568751937.db2.gz HWEHIMRBRBOCTP-SFHVURJKSA-N 0 0 432.618 6.158 50 0 IKAARN Cc1nc2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(N)c2c(C)c1Cl ZINC000003627163 568752071 /nfs/dbraw/zinc/75/20/71/568752071.db2.gz VORFITDUFQIXGM-UHFFFAOYSA-N 0 0 435.980 5.991 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000003636613 568752134 /nfs/dbraw/zinc/75/21/34/568752134.db2.gz CWSONHBODQDMAZ-JTSKRJEESA-N 0 0 434.561 5.202 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000003636616 568752138 /nfs/dbraw/zinc/75/21/38/568752138.db2.gz CWSONHBODQDMAZ-HTAPYJJXSA-N 0 0 434.561 5.202 50 0 IKAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(Cl)cc3)N2C1=O ZINC000003636813 568752234 /nfs/dbraw/zinc/75/22/34/568752234.db2.gz RZVNHLSMKJNGHO-AZUAARDMSA-N 0 0 440.952 5.122 50 0 IKAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(C(C)C)cc3)N2C1=O ZINC000003636792 568752263 /nfs/dbraw/zinc/75/22/63/568752263.db2.gz QRGHJGZLQRGBAF-GMAHTHKFSA-N 0 0 448.588 5.592 50 0 IKAARN CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)NC1=S ZINC000003641868 568752368 /nfs/dbraw/zinc/75/23/68/568752368.db2.gz YZTOPASKSJQQLI-RGEXLXHISA-N 0 0 439.968 5.253 50 0 IKAARN Cc1c(C)n(C[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c2ccc(C)cc12 ZINC000003648942 568752638 /nfs/dbraw/zinc/75/26/38/568752638.db2.gz WPGWWJIFBYIKSM-RUZDIDTESA-N 0 0 435.571 6.158 50 0 IKAARN CCN1c2ccc(Cl)cc2C(c2ccccc2)=NN=C1c1ccc(Br)cc1 ZINC000003651190 568752737 /nfs/dbraw/zinc/75/27/37/568752737.db2.gz UHBSGOOTKYREAK-UHFFFAOYSA-N 0 0 438.756 6.142 50 0 IKAARN COc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655399 568752984 /nfs/dbraw/zinc/75/29/84/568752984.db2.gz ZAOMVLWVEYSRDE-UHFFFAOYSA-N 0 0 435.863 5.343 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003655361 568752994 /nfs/dbraw/zinc/75/29/94/568752994.db2.gz HTHKHOWAQPSPJR-UHFFFAOYSA-N 0 0 427.500 6.222 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000003655332 568753017 /nfs/dbraw/zinc/75/30/17/568753017.db2.gz MYVVXRMSTPBHEM-UHFFFAOYSA-N 0 0 445.927 7.093 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Br)cc1)c1ccccc1F ZINC000003655574 568753105 /nfs/dbraw/zinc/75/31/05/568753105.db2.gz ALQNLMZBFJWDFK-UHFFFAOYSA-N 0 0 438.252 5.818 50 0 IKAARN CCc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655605 568753111 /nfs/dbraw/zinc/75/31/11/568753111.db2.gz MFRJSNHFAMGZHR-UHFFFAOYSA-N 0 0 433.891 5.897 50 0 IKAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c1C ZINC000003655530 568753114 /nfs/dbraw/zinc/75/31/14/568753114.db2.gz JZIFAWACQYYGPT-UHFFFAOYSA-N 0 0 433.891 5.952 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655476 568753132 /nfs/dbraw/zinc/75/31/32/568753132.db2.gz ZRSBOMPGUAGFPY-CQSZACIVSA-N 0 0 437.854 5.862 50 0 IKAARN CCCOc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)cc2)c1 ZINC000003655558 568753135 /nfs/dbraw/zinc/75/31/35/568753135.db2.gz ZYPRYLVVJMUXTQ-UHFFFAOYSA-N 0 0 429.472 5.714 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000003655621 568753150 /nfs/dbraw/zinc/75/31/50/568753150.db2.gz PIPHYJBUQWOGFL-UHFFFAOYSA-N 0 0 441.527 6.422 50 0 IKAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655583 568753168 /nfs/dbraw/zinc/75/31/68/568753168.db2.gz GMKNQEMBAHHEFI-FQEVSTJZSA-N 0 0 435.426 5.738 50 0 IKAARN CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658694 568753294 /nfs/dbraw/zinc/75/32/94/568753294.db2.gz XSPARHFUXUJGOG-UHFFFAOYSA-N 0 0 435.524 5.660 50 0 IKAARN C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)c1ccccc1 ZINC000003658654 568753342 /nfs/dbraw/zinc/75/33/42/568753342.db2.gz DDDSRYKODAYXOG-SFHVURJKSA-N 0 0 425.532 7.080 50 0 IKAARN Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)c1 ZINC000003658688 568753374 /nfs/dbraw/zinc/75/33/74/568753374.db2.gz ZMXAZDRCDZACLD-UHFFFAOYSA-N 0 0 439.559 7.136 50 0 IKAARN Fc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2Cl)c1 ZINC000003658684 568753384 /nfs/dbraw/zinc/75/33/84/568753384.db2.gz OJJUNIAVRWAFRU-UHFFFAOYSA-N 0 0 445.950 7.172 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc3nc(SCc4ccc(C(C)(C)C)cc4)sc3c2)c1 ZINC000003664877 568753601 /nfs/dbraw/zinc/75/36/01/568753601.db2.gz DJZMPYWFZHGVQE-UHFFFAOYSA-N 0 0 446.641 7.447 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2cccc(F)c2)cc1 ZINC000003658762 568753631 /nfs/dbraw/zinc/75/36/31/568753631.db2.gz MEYMQPAQJDQICL-UHFFFAOYSA-N 0 0 441.531 6.528 50 0 IKAARN O=C1N[C@H](c2cccc(OCc3ccccc3)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000003666635 568753930 /nfs/dbraw/zinc/75/39/30/568753930.db2.gz LAUPQMQIHPFGTH-OAQYLSRUSA-N 0 0 445.569 5.701 50 0 IKAARN CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2cccc(Br)c2)cc1 ZINC000003669294 568754080 /nfs/dbraw/zinc/75/40/80/568754080.db2.gz YSZOZQZBMJUAMX-DEOSSOPVSA-N 0 0 448.404 6.519 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)cc1 ZINC000003671221 568754110 /nfs/dbraw/zinc/75/41/10/568754110.db2.gz JJSCNOOZMWTWQB-ULJHMMPZSA-N 0 0 439.511 5.856 50 0 IKAARN C[C@H]1S[C@H](c2ccc(Cl)c(Cl)c2)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000015277097 568754261 /nfs/dbraw/zinc/75/42/61/568754261.db2.gz IKBYXAGYPKOQAO-JLCFBVMHSA-N 0 0 430.356 6.953 50 0 IKAARN COc1cc(-c2ccc(NC(=O)c3ccco3)c(OC)c2)ccc1NC(=O)c1ccco1 ZINC000001227647 568754263 /nfs/dbraw/zinc/75/42/63/568754263.db2.gz VNMSUHJDUKVVOB-UHFFFAOYSA-N 0 0 432.432 5.061 50 0 IKAARN Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccccc1 ZINC000015277304 568754289 /nfs/dbraw/zinc/75/42/89/568754289.db2.gz JSSDEOZFXRCFLG-UHFFFAOYSA-N 0 0 432.574 5.364 50 0 IKAARN COc1ccc2ccccc2c1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C ZINC000003767932 568754434 /nfs/dbraw/zinc/75/44/34/568754434.db2.gz VUEJDADWABKWPQ-UHFFFAOYSA-N 0 0 436.511 6.834 50 0 IKAARN CCOc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 ZINC000003766623 568754440 /nfs/dbraw/zinc/75/44/40/568754440.db2.gz DZRYDGQJKWBGFG-UHFFFAOYSA-N 0 0 433.430 6.219 50 0 IKAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000003764252 568754454 /nfs/dbraw/zinc/75/44/54/568754454.db2.gz YCGFEEGOEBDCPI-UHFFFAOYSA-N 0 0 441.870 6.626 50 0 IKAARN Cc1ccc(N(C(=O)c2ccc(Cl)cc2)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000003764881 568754467 /nfs/dbraw/zinc/75/44/67/568754467.db2.gz TYGBSEPKXNRYQL-UHFFFAOYSA-N 0 0 434.967 6.329 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000015317793 568758140 /nfs/dbraw/zinc/75/81/40/568758140.db2.gz FGXTVFCWYAXQHR-UHFFFAOYSA-N 0 0 444.560 5.335 50 0 IKAARN CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263584975 568758942 /nfs/dbraw/zinc/75/89/42/568758942.db2.gz CQHZQYHEQWIFIF-OAQYLSRUSA-N 0 0 446.554 5.778 50 0 biogenic IKAARN Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001232107 568759095 /nfs/dbraw/zinc/75/90/95/568759095.db2.gz GXNMOXXFEVZQDY-KRWDZBQOSA-N 0 0 444.815 5.025 50 0 IKAARN Cc1c(C(=O)N2CC[C@@H](C)Sc3ccccc32)nnn1-c1cccc(C(F)(F)F)c1 ZINC000031895198 568759473 /nfs/dbraw/zinc/75/94/73/568759473.db2.gz KNCVYVAVQRBVHR-CYBMUJFWSA-N 0 0 432.471 5.126 50 0 IKAARN O=C1C[C@H](c2ccc(Br)cc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586702 568759478 /nfs/dbraw/zinc/75/94/78/568759478.db2.gz XAKNEDUJRKYDOB-LJQANCHMSA-N 0 0 431.333 5.926 50 0 biogenic IKAARN Cc1cccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCc2cccc(F)c2)c1 ZINC000073686444 568759713 /nfs/dbraw/zinc/75/97/13/568759713.db2.gz BKFHYEICXIJVRS-UHFFFAOYSA-N 0 0 441.531 6.121 50 0 IKAARN CCCc1cc(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 ZINC000004045379 568759727 /nfs/dbraw/zinc/75/97/27/568759727.db2.gz HXDGGBNSABOFEJ-UHFFFAOYSA-N 0 0 431.529 5.044 50 0 biogenic IKAARN Cc1ccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CC[C@@H](C)C3)cc1 ZINC000004062396 568760031 /nfs/dbraw/zinc/76/00/31/568760031.db2.gz CWJOTOIEPVJOEW-MRXNPFEDSA-N 0 0 435.618 6.243 50 0 IKAARN Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2Cc2ccccc2)c1 ZINC000073690827 568760052 /nfs/dbraw/zinc/76/00/52/568760052.db2.gz CKVPVMQDHANILX-UHFFFAOYSA-N 0 0 437.568 6.041 50 0 IKAARN COC(=O)c1nc(NC(=O)C[C@H](c2ccsc2)n2cccc2)sc1-c1ccccc1 ZINC000263586979 568760106 /nfs/dbraw/zinc/76/01/06/568760106.db2.gz AOSFFSZAQBHJOO-QGZVFWFLSA-N 0 0 437.546 5.078 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(F)cc1Cl)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263587148 568760247 /nfs/dbraw/zinc/76/02/47/568760247.db2.gz CSYIFABQBNERKR-NRFANRHFSA-N 0 0 437.902 5.215 50 0 IKAARN COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1OC ZINC000004073368 568760385 /nfs/dbraw/zinc/76/03/85/568760385.db2.gz KKSMWVZGZWUOSG-CLJLJLNGSA-N 0 0 433.633 5.700 50 0 biogenic IKAARN C[C@@H]1CC[C@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CC[C@@]1(CCOC(C)(C)OC1)O2 ZINC000004073268 568760400 /nfs/dbraw/zinc/76/04/00/568760400.db2.gz JPCPUGHXRFGTIL-MYTJLNBSSA-N 0 0 436.633 5.451 50 0 biogenic IKAARN O=C1C[C@@H](c2cccnc2N2CCCCC2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587277 568760456 /nfs/dbraw/zinc/76/04/56/568760456.db2.gz FDIVCANOMISGKZ-QFIPXVFZSA-N 0 0 436.559 5.549 50 0 IKAARN O=C1C[C@H](c2ccc(Br)s2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587403 568760643 /nfs/dbraw/zinc/76/06/43/568760643.db2.gz GNDSIODIESEPIL-HNNXBMFYSA-N 0 0 437.362 5.988 50 0 IKAARN CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000078449080 568761394 /nfs/dbraw/zinc/76/13/94/568761394.db2.gz PLVBIKCANXAWOY-UHFFFAOYSA-N 0 0 442.968 5.387 50 0 IKAARN CCCCc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015390951 568761419 /nfs/dbraw/zinc/76/14/19/568761419.db2.gz NHCMDNGGMFMMOT-OAQYLSRUSA-N 0 0 449.016 5.255 50 0 IKAARN COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001249249 568774929 /nfs/dbraw/zinc/77/49/29/568774929.db2.gz IZXUGOAZAGFNAM-KRWDZBQOSA-N 0 0 430.595 5.054 50 0 IKAARN COc1cc(Cn2c(C)nc3ccccc32)c(OC)cc1Cn1c(C)nc2ccccc21 ZINC000001252530 568775026 /nfs/dbraw/zinc/77/50/26/568775026.db2.gz SPMLUEJHERURBD-UHFFFAOYSA-N 0 0 426.520 5.117 50 0 IKAARN CC(C)Oc1ccc(CSc2nc3sc4c(c3c(N)n2)C[C@H](C(C)C)OC4)cc1 ZINC000001250880 568775098 /nfs/dbraw/zinc/77/50/98/568775098.db2.gz YLTRLJLMYLJKDQ-QGZVFWFLSA-N 0 0 429.611 5.450 50 0 IKAARN Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)c(C)c1 ZINC000001252590 568775114 /nfs/dbraw/zinc/77/51/14/568775114.db2.gz SOGOVHRBIMEDLL-UHFFFAOYSA-N 0 0 445.588 6.585 50 0 IKAARN O=C(CS[C@H]1c2ccccc2C(=O)N1Cc1cccs1)NCc1ccc(Cl)cc1 ZINC000004108836 568775526 /nfs/dbraw/zinc/77/55/26/568775526.db2.gz JSTIUUIHALKMQM-QFIPXVFZSA-N 0 0 442.993 5.106 50 0 IKAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C(C)(C)C)cc5)no4)cc3CO2)cc1 ZINC000263615578 568776317 /nfs/dbraw/zinc/77/63/17/568776317.db2.gz DCGQCWBOVOKZPN-QFIPXVFZSA-N 0 0 430.508 5.178 50 0 IKAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C(C)(C)C)cc5)no4)cc3CO2)cc1 ZINC000263615577 568776340 /nfs/dbraw/zinc/77/63/40/568776340.db2.gz DCGQCWBOVOKZPN-JOCHJYFZSA-N 0 0 430.508 5.178 50 0 IKAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)c1 ZINC000263616378 568776522 /nfs/dbraw/zinc/77/65/22/568776522.db2.gz IJCTWSAMYRBZBS-KRWDZBQOSA-N 0 0 430.361 5.030 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 ZINC000001283597 568776765 /nfs/dbraw/zinc/77/67/65/568776765.db2.gz LIHUHLWILSWRAG-QGZVFWFLSA-N 0 0 446.985 5.137 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3C)CC2)N=C1c1ccccc1 ZINC000263618739 568777621 /nfs/dbraw/zinc/77/76/21/568777621.db2.gz VHHIXIJHGCWONV-UHFFFAOYSA-N 0 0 441.000 5.627 50 0 IKAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)cc3CO2)cc1 ZINC000263618597 568777646 /nfs/dbraw/zinc/77/76/46/568777646.db2.gz UOEAGVILGIWMHU-IBGZPJMESA-N 0 0 426.398 5.199 50 0 IKAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000263619337 568778041 /nfs/dbraw/zinc/77/80/41/568778041.db2.gz YEWNFPDMAACTHU-KRWDZBQOSA-N 0 0 430.361 5.030 50 0 IKAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263618315 568778164 /nfs/dbraw/zinc/77/81/64/568778164.db2.gz SGDGQCDFVXFCJU-LJQANCHMSA-N 0 0 426.398 5.199 50 0 IKAARN Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c2CO1 ZINC000263619493 568778184 /nfs/dbraw/zinc/77/81/84/568778184.db2.gz YXHWRYHLCUXYKG-KRWDZBQOSA-N 0 0 430.361 5.030 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1Cl)C1CCN(C(=O)c2cccs2)CC1 ZINC000025731663 568778835 /nfs/dbraw/zinc/77/88/35/568778835.db2.gz SXAGNGIVQKNZGA-UHFFFAOYSA-N 0 0 425.937 5.526 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1ccccc1OC ZINC000001302338 568778953 /nfs/dbraw/zinc/77/89/53/568778953.db2.gz JMGQBFSWTHWOHX-OAHLLOKOSA-N 0 0 425.506 5.006 50 0 IKAARN O=C(c1cccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1)N1CCOCC1 ZINC000001300917 568778986 /nfs/dbraw/zinc/77/89/86/568778986.db2.gz MCOLIKSTOIANPJ-UHFFFAOYSA-N 0 0 444.922 5.166 50 0 IKAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000001301689 568779016 /nfs/dbraw/zinc/77/90/16/568779016.db2.gz WSRDASNPLOQHBS-FQEVSTJZSA-N 0 0 428.319 5.638 50 0 IKAARN CC1(C)Cc2nc3sc4c(ncnc4OCC(=O)c4ccc(Cl)cc4)c3cc2CO1 ZINC000001301661 568779044 /nfs/dbraw/zinc/77/90/44/568779044.db2.gz QGHDEAIDFSGHDE-UHFFFAOYSA-N 0 0 439.924 5.006 50 0 IKAARN O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1CNc1ccc(F)cc1 ZINC000083316280 568779402 /nfs/dbraw/zinc/77/94/02/568779402.db2.gz WYVDHRBZNLQBEH-HMAPJEAMSA-N 0 0 434.492 5.511 50 0 IKAARN CC(C)(C)c1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000004118529 568779697 /nfs/dbraw/zinc/77/96/97/568779697.db2.gz WHORTNKROLTZLD-DEOSSOPVSA-N 0 0 441.377 7.786 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3C)C2=O)cc1 ZINC000001320474 568779857 /nfs/dbraw/zinc/77/98/57/568779857.db2.gz CKVCCWUCNBIFHF-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1 ZINC000001320612 568779884 /nfs/dbraw/zinc/77/98/84/568779884.db2.gz DSPFAHSGSOIPEU-QHCPKHFHSA-N 0 0 426.299 5.001 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2Cl)cc1 ZINC000004144587 568781917 /nfs/dbraw/zinc/78/19/17/568781917.db2.gz ZLVMTCRHFCLYIX-UHFFFAOYSA-N 0 0 440.399 6.766 50 0 IKAARN Clc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2Cl)cc1Cl ZINC000004145426 568781919 /nfs/dbraw/zinc/78/19/19/568781919.db2.gz FKZZAVKGXWMOKO-UHFFFAOYSA-N 0 0 446.790 7.187 50 0 IKAARN Fc1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000004145349 568781930 /nfs/dbraw/zinc/78/19/30/568781930.db2.gz NXZQNBOJUYMWBY-UHFFFAOYSA-N 0 0 430.430 5.780 50 0 IKAARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1c(F)cccc1Cl ZINC000004144534 568781952 /nfs/dbraw/zinc/78/19/52/568781952.db2.gz CKNZKQNPNLYYJS-UHFFFAOYSA-N 0 0 439.943 5.952 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2C(F)(F)F)cc1 ZINC000004145369 568781957 /nfs/dbraw/zinc/78/19/57/568781957.db2.gz JRTYCJGIBDHAAZ-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN CCc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cc(F)cc2c1OCOC2 ZINC000025811959 568782796 /nfs/dbraw/zinc/78/27/96/568782796.db2.gz HTWQMHJIPRJVSU-UHFFFAOYSA-N 0 0 448.519 5.246 50 0 IKAARN CN(C)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)c(C(F)(F)F)c1 ZINC000083854236 568783212 /nfs/dbraw/zinc/78/32/12/568783212.db2.gz PAJLFJRGJYVRNH-UHFFFAOYSA-N 0 0 425.410 5.832 50 0 IKAARN CCCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000045939313 568783437 /nfs/dbraw/zinc/78/34/37/568783437.db2.gz OXRANEKMWBJGKT-UHFFFAOYSA-N 0 0 446.985 5.644 50 0 IKAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942026 568783608 /nfs/dbraw/zinc/78/36/08/568783608.db2.gz LTOQEZQDKXITEK-QHCPKHFHSA-N 0 0 447.918 5.488 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c(OC)c1 ZINC000045942121 568783610 /nfs/dbraw/zinc/78/36/10/568783610.db2.gz UAQSYIJSYZDPIN-DEOSSOPVSA-N 0 0 433.479 5.204 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045942328 568783621 /nfs/dbraw/zinc/78/36/21/568783621.db2.gz HGQWXSAZURVYTN-HSZRJFAPSA-N 0 0 433.891 5.430 50 0 IKAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(SC)cc2)cc1 ZINC000045942009 568783623 /nfs/dbraw/zinc/78/36/23/568783623.db2.gz WPXILNZVMJZSOG-HSZRJFAPSA-N 0 0 445.540 5.248 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000045941785 568783649 /nfs/dbraw/zinc/78/36/49/568783649.db2.gz MYFIBAXWVLSDMM-HSZRJFAPSA-N 0 0 448.360 5.853 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942609 568783652 /nfs/dbraw/zinc/78/36/52/568783652.db2.gz HQRJXVOAIWKVPM-HSZRJFAPSA-N 0 0 437.442 5.035 50 0 IKAARN COc1ccc(CSc2nc(CSC)cc(Sc3ccc(OC)cc3)n2)cc1 ZINC000001383177 568784025 /nfs/dbraw/zinc/78/40/25/568784025.db2.gz IAVZVRSBYDHDNW-UHFFFAOYSA-N 0 0 430.620 5.800 50 0 IKAARN COc1ccc(C(=O)n2ccc(-c3ccc(OCc4c(F)cccc4Cl)cc3)n2)cc1 ZINC000001383654 568784044 /nfs/dbraw/zinc/78/40/44/568784044.db2.gz JKQIBVXBIRHXOP-UHFFFAOYSA-N 0 0 436.870 5.619 50 0 IKAARN Brc1cc(Br)c2nc(-c3ccc(-n4ccnc4)cc3)ccc2c1 ZINC000001384424 568784234 /nfs/dbraw/zinc/78/42/34/568784234.db2.gz MGRPFANBHCSDRD-UHFFFAOYSA-N 0 0 429.115 5.613 50 0 IKAARN COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)cc1 ZINC000001385356 568784253 /nfs/dbraw/zinc/78/42/53/568784253.db2.gz SYWLDITWBGQCPE-UHFFFAOYSA-N 0 0 441.862 5.504 50 0 IKAARN COC(=O)c1oc2ccccc2c1N(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1 ZINC000001386295 568784619 /nfs/dbraw/zinc/78/46/19/568784619.db2.gz PFDFOGXJPWFLOP-UHFFFAOYSA-N 0 0 431.400 5.424 50 0 IKAARN CC(C)c1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 ZINC000046022320 568785027 /nfs/dbraw/zinc/78/50/27/568785027.db2.gz NIUGLZSRWPZAFW-UHFFFAOYSA-N 0 0 425.623 6.105 50 0 IKAARN O=C(NCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)OCc1ccccc1 ZINC000001392880 568785279 /nfs/dbraw/zinc/78/52/79/568785279.db2.gz CUAILYWQPLINAT-UHFFFAOYSA-N 0 0 428.410 5.384 50 0 IKAARN CN(NC(=S)Nc1ccccc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000001393385 568785316 /nfs/dbraw/zinc/78/53/16/568785316.db2.gz VWLWZPGIMTWWSV-UHFFFAOYSA-N 0 0 445.392 5.005 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1c[nH]c(C(=O)NCc2ccco2)c1 ZINC000001394638 568785548 /nfs/dbraw/zinc/78/55/48/568785548.db2.gz AQECGCAEAMGGDU-UHFFFAOYSA-N 0 0 444.274 5.039 50 0 IKAARN CCC(C)(C)NC(=O)c1cc(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c[nH]1 ZINC000001394652 568785557 /nfs/dbraw/zinc/78/55/57/568785557.db2.gz LZINYDLJPHHBTR-UHFFFAOYSA-N 0 0 434.323 5.434 50 0 IKAARN COC(=O)c1c(-c2ccccc2)noc1-c1cnc(-c2ccccc2)nc1C(F)(F)F ZINC000001397994 568785668 /nfs/dbraw/zinc/78/56/68/568785668.db2.gz SSSOEQCJSHKIHV-UHFFFAOYSA-N 0 0 425.366 5.271 50 0 IKAARN Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001397240 568785713 /nfs/dbraw/zinc/78/57/13/568785713.db2.gz IEZXGPBQVAEOHY-UHFFFAOYSA-N 0 0 430.373 6.408 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccc(Cl)cc1 ZINC000001398814 568785747 /nfs/dbraw/zinc/78/57/47/568785747.db2.gz DMMMBRCMMHHTJK-UHFFFAOYSA-N 0 0 432.955 5.919 50 0 IKAARN COc1cc2c(cc1NC(=O)c1c(Cl)nc3ccccc3c1Cl)oc1ccccc12 ZINC000083925483 568785852 /nfs/dbraw/zinc/78/58/52/568785852.db2.gz KLYJZSOKTDYMQL-UHFFFAOYSA-N 0 0 437.282 6.702 50 0 IKAARN O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1cccc(C(F)(F)F)c1 ZINC000001396495 568786055 /nfs/dbraw/zinc/78/60/55/568786055.db2.gz JUOJNPCRNXOOIV-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN Cc1nn(C)c(Sc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1F ZINC000001401154 568786227 /nfs/dbraw/zinc/78/62/27/568786227.db2.gz WMHNQZQKGLMZQK-UHFFFAOYSA-N 0 0 427.398 5.429 50 0 IKAARN CN(O)C=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001400425 568786270 /nfs/dbraw/zinc/78/62/70/568786270.db2.gz UWNDYOITBYSFBJ-UHFFFAOYSA-N 0 0 449.121 5.082 50 0 IKAARN O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1Cl ZINC000001400662 568786287 /nfs/dbraw/zinc/78/62/87/568786287.db2.gz ZAARYHXWMTWVTM-UHFFFAOYSA-N 0 0 442.371 6.274 50 0 IKAARN CCCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032541 568786447 /nfs/dbraw/zinc/78/64/47/568786447.db2.gz BKDFVZWONPTXHN-UHFFFAOYSA-N 0 0 446.620 5.429 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccn2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000001402836 568786611 /nfs/dbraw/zinc/78/66/11/568786611.db2.gz DWPWJAHCNXMFAP-UHFFFAOYSA-N 0 0 442.327 5.345 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1SCCC(F)=C(F)F ZINC000001402588 568786627 /nfs/dbraw/zinc/78/66/27/568786627.db2.gz DBVJCLVBDIHOKI-UHFFFAOYSA-N 0 0 430.451 6.686 50 0 IKAARN CC1(C)Cc2oc3c(cc(NS(=O)(=O)c4ccc(F)cc4)c4ccccc34)c2C(=O)C1 ZINC000001405393 568786801 /nfs/dbraw/zinc/78/68/01/568786801.db2.gz GYNCFIIRXBODMF-UHFFFAOYSA-N 0 0 437.492 5.681 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2cc(OC)cc(OC)c2)cc1 ZINC000004184639 568787299 /nfs/dbraw/zinc/78/72/99/568787299.db2.gz UUMVIYIEBQPEFP-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)c1 ZINC000083973748 568787519 /nfs/dbraw/zinc/78/75/19/568787519.db2.gz MOOGGLNLGMTSCW-CTNGQTDRSA-N 0 0 443.469 5.485 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000032212152 568787538 /nfs/dbraw/zinc/78/75/38/568787538.db2.gz FMKXQXQSRGMREI-OAQYLSRUSA-N 0 0 443.330 5.426 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](c1ccc(O)cc1)N(CC(C)C)C(=O)c1ccccc1F ZINC000001410273 568787821 /nfs/dbraw/zinc/78/78/21/568787821.db2.gz LVEDZTBSEQJUJV-VWLOTQADSA-N 0 0 448.538 5.626 50 0 IKAARN COc1cc(C(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc(OC)c1OC ZINC000001120713 568788053 /nfs/dbraw/zinc/78/80/53/568788053.db2.gz MGYCILCESLHKLV-XMMPIXPASA-N 0 0 434.488 5.110 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000001846599 568788408 /nfs/dbraw/zinc/78/84/08/568788408.db2.gz NQCINJNNGLYMCP-QHCPKHFHSA-N 0 0 429.299 5.848 50 0 IKAARN C[S@](=O)C[C@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc21)c1ccccc1 ZINC000083990093 568788669 /nfs/dbraw/zinc/78/86/69/568788669.db2.gz SYQUHSZXRHZGGI-XDBZFTIUSA-N 0 0 427.982 5.543 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1cccc(C(F)(F)F)c1 ZINC000002751307 568789158 /nfs/dbraw/zinc/78/91/58/568789158.db2.gz BFDPYCSMPABSGN-UHFFFAOYSA-N 0 0 429.394 5.003 50 0 IKAARN Cc1cc(C(F)(F)F)n2nc(-c3nnc(Cc4cccc(Cl)c4)o3)c(Cl)c2n1 ZINC000002804002 568789415 /nfs/dbraw/zinc/78/94/15/568789415.db2.gz XTLUCBFYXYUJCA-UHFFFAOYSA-N 0 0 428.201 5.004 50 0 IKAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000084019701 568789845 /nfs/dbraw/zinc/78/98/45/568789845.db2.gz VZZCNETUTCQTFM-UHFFFAOYSA-N 0 0 442.972 5.663 50 0 IKAARN CCCC1CCC(C2CCC(OC(=O)c3ccc(OC(F)(F)Cl)cc3)CC2)CC1 ZINC000004670595 568790528 /nfs/dbraw/zinc/79/05/28/568790528.db2.gz YDSSSIIROWMOAP-UHFFFAOYSA-N 0 0 428.947 7.177 50 0 IKAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000084064663 568790856 /nfs/dbraw/zinc/79/08/56/568790856.db2.gz RTVUQXXSPLAFAO-UHFFFAOYSA-N 0 0 445.997 5.598 50 0 IKAARN CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(-c5ccccc5)cc4)cc3cc21 ZINC000575473033 568791699 /nfs/dbraw/zinc/79/16/99/568791699.db2.gz ZJKHYUQWUOYLJG-UHFFFAOYSA-N 0 0 435.523 6.323 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000001424341 568793606 /nfs/dbraw/zinc/79/36/06/568793606.db2.gz JFSYXIVLOZGJBV-UHFFFAOYSA-N 0 0 429.303 5.170 50 0 IKAARN CCc1cccc(NC(=O)c2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc32)c1 ZINC000001425937 568793802 /nfs/dbraw/zinc/79/38/02/568793802.db2.gz UWQKUUAWOXJHDT-UHFFFAOYSA-N 0 0 446.934 6.115 50 0 IKAARN COc1ccc(CCn2c(=O)oc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1 ZINC000001426863 568793965 /nfs/dbraw/zinc/79/39/65/568793965.db2.gz VQZUXKIMSXHHGM-UHFFFAOYSA-N 0 0 431.488 5.044 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1ccco1)c2NC(=O)c1ccccc1Cl ZINC000001429255 568794309 /nfs/dbraw/zinc/79/43/09/568794309.db2.gz LJQVKAUERSLQCK-UHFFFAOYSA-N 0 0 439.924 5.342 50 0 IKAARN COCc1cc(C)nc2sc3c(nc(-c4ccccc4)n(Cc4ccccc4)c3=O)c21 ZINC000001429284 568794399 /nfs/dbraw/zinc/79/43/99/568794399.db2.gz YCHXOOUKNQXRQO-UHFFFAOYSA-N 0 0 427.529 5.176 50 0 IKAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3Cl)cc1C(C)C ZINC000001430698 568794505 /nfs/dbraw/zinc/79/45/05/568794505.db2.gz OMILOEZOIPRCLF-UHFFFAOYSA-N 0 0 434.989 5.173 50 0 IKAARN Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(C3SCCCS3)c2)cs1 ZINC000084191501 568795764 /nfs/dbraw/zinc/79/57/64/568795764.db2.gz GVFBGJHDKJJXPO-UHFFFAOYSA-N 0 0 429.636 5.601 50 0 IKAARN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cccc(N(C)C)c1 ZINC000084224961 568796235 /nfs/dbraw/zinc/79/62/35/568796235.db2.gz FKZPOJDOBSOHLB-UHFFFAOYSA-N 0 0 430.527 6.050 50 0 IKAARN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)CCCc1cccs1 ZINC000084219765 568796315 /nfs/dbraw/zinc/79/63/15/568796315.db2.gz RFEUIPMHMMTMEX-UHFFFAOYSA-N 0 0 435.568 6.755 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(F)(F)F)cc3)nnc2-c2ccccc2F)cc1 ZINC000004212765 568796972 /nfs/dbraw/zinc/79/69/72/568796972.db2.gz GQHVOPNYIFSVLK-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 ZINC000084325149 568797040 /nfs/dbraw/zinc/79/70/40/568797040.db2.gz WUFGFBLAMQEUKU-UHFFFAOYSA-N 0 0 427.888 5.101 50 0 IKAARN O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc(C2SCCCS2)cc1 ZINC000084368145 568797265 /nfs/dbraw/zinc/79/72/65/568797265.db2.gz ARWGTMBAPRNQSU-UHFFFAOYSA-N 0 0 434.011 5.980 50 0 IKAARN O=C(Nc1ccccc1)C1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000084549789 568798736 /nfs/dbraw/zinc/79/87/36/568798736.db2.gz SDKAUIGCQYJXOX-UHFFFAOYSA-N 0 0 432.593 5.303 50 0 IKAARN O=C(NCCCc1nc2ccccc2s1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000084603389 568799075 /nfs/dbraw/zinc/79/90/75/568799075.db2.gz CWPXVXXZNAUSHD-UHFFFAOYSA-N 0 0 435.163 5.668 50 0 IKAARN O=C(NCc1nc2ccccc2s1)c1ccc(Oc2ccccc2Br)nc1 ZINC000084603474 568799191 /nfs/dbraw/zinc/79/91/91/568799191.db2.gz JEQDFSURPKLNAO-UHFFFAOYSA-N 0 0 440.322 5.176 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1Br ZINC000084647717 568799619 /nfs/dbraw/zinc/79/96/19/568799619.db2.gz MRQSKAIPGPHRAA-CYBMUJFWSA-N 0 0 447.329 5.382 50 0 IKAARN C[C@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)c1c(F)cccc1F ZINC000084647350 568799631 /nfs/dbraw/zinc/79/96/31/568799631.db2.gz GWTMAORNGZWVCK-VIFPVBQESA-N 0 0 431.295 5.009 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000084691740 568800088 /nfs/dbraw/zinc/80/00/88/568800088.db2.gz VLTGEFMKVGXGSH-VXGBXAGGSA-N 0 0 440.758 5.697 50 0 IKAARN COc1cc(Br)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C)cc1OC ZINC000084718142 568800336 /nfs/dbraw/zinc/80/03/36/568800336.db2.gz AUASKKNSDJZTJV-GFCCVEGCSA-N 0 0 444.329 5.099 50 0 IKAARN CC(=O)N1CCCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21 ZINC000084718334 568800340 /nfs/dbraw/zinc/80/03/40/568800340.db2.gz NZGYVIWIUVXKIL-UHFFFAOYSA-N 0 0 438.449 5.924 50 0 IKAARN CC[C@@H](NC(=O)CCc1ccccc1Cl)c1noc(-c2cccc(Br)c2)n1 ZINC000084734896 568800628 /nfs/dbraw/zinc/80/06/28/568800628.db2.gz DDSDBFLEVCZPLD-QGZVFWFLSA-N 0 0 448.748 5.353 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3n2)cc1 ZINC000001437135 568800886 /nfs/dbraw/zinc/80/08/86/568800886.db2.gz AVDAUTLRFLRKRC-UHFFFAOYSA-N 0 0 444.844 5.307 50 0 IKAARN CCN(CC)C(=O)Nc1ccc([C@H](C)Nc2ccccc2S(=O)(=O)C(F)(F)F)cc1 ZINC000084771002 568801051 /nfs/dbraw/zinc/80/10/51/568801051.db2.gz FRKZFGWDUUJMOO-AWEZNQCLSA-N 0 0 443.491 5.027 50 0 IKAARN Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671844 568803037 /nfs/dbraw/zinc/80/30/37/568803037.db2.gz PCWWHIDDSVDXGY-UHFFFAOYSA-N 0 0 435.564 6.276 50 0 biogenic IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c(C)c1 ZINC000015672664 568803094 /nfs/dbraw/zinc/80/30/94/568803094.db2.gz JENPQQMMAJIZKH-QKSGUBBWSA-N 0 0 449.620 5.434 50 0 IKAARN CCN1c2cc(NC(=O)NC[C@@H](C)c3ccccc3)ccc2Sc2ccccc2C1=O ZINC000015671911 568803184 /nfs/dbraw/zinc/80/31/84/568803184.db2.gz SIYFGILYRQKJAF-QGZVFWFLSA-N 0 0 431.561 5.743 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000015672657 568803193 /nfs/dbraw/zinc/80/31/93/568803193.db2.gz AQAJTWDTAHUYGH-QKSGUBBWSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c1C ZINC000015672617 568803238 /nfs/dbraw/zinc/80/32/38/568803238.db2.gz HMGPZXIDKZFFKO-QKSGUBBWSA-N 0 0 449.620 5.434 50 0 IKAARN CCN1c2cc(NC(=O)NC[C@H](C)c3ccccc3)ccc2Sc2ccccc2C1=O ZINC000015671913 568803244 /nfs/dbraw/zinc/80/32/44/568803244.db2.gz SIYFGILYRQKJAF-KRWDZBQOSA-N 0 0 431.561 5.743 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000015672943 568803279 /nfs/dbraw/zinc/80/32/79/568803279.db2.gz VOJLAEUBUBCLHC-AREMUKBSSA-N 0 0 449.620 5.578 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000015672449 568803282 /nfs/dbraw/zinc/80/32/82/568803282.db2.gz WYFHQTMARDEUJM-MKTSZQRWSA-N 0 0 449.620 5.434 50 0 IKAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(c2ccc(C)cc2)C3=O)s1 ZINC000015673219 568803309 /nfs/dbraw/zinc/80/33/09/568803309.db2.gz YXIXZBQGEFDRMR-AREMUKBSSA-N 0 0 449.620 5.442 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000015672956 568803386 /nfs/dbraw/zinc/80/33/86/568803386.db2.gz OJYKVBFTSNZBJD-SANMLTNESA-N 0 0 449.620 5.578 50 0 IKAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(C2CCCC2)C3=O)s1 ZINC000015673112 568803388 /nfs/dbraw/zinc/80/33/88/568803388.db2.gz JNNAUOXQJZOCBL-RUZDIDTESA-N 0 0 441.641 5.261 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1C ZINC000015675491 568803658 /nfs/dbraw/zinc/80/36/58/568803658.db2.gz CDPMPYFWTYATCM-HHHXNRCGSA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(c2cccc(C)c2C)C3=O)o1 ZINC000015675885 568803942 /nfs/dbraw/zinc/80/39/42/568803942.db2.gz VPYWUWBTJPMUGB-HHHXNRCGSA-N 0 0 447.579 5.418 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015675547 568804149 /nfs/dbraw/zinc/80/41/49/568804149.db2.gz IKSNVRJWYRTHOX-AREMUKBSSA-N 0 0 433.552 5.191 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676983 568804310 /nfs/dbraw/zinc/80/43/10/568804310.db2.gz DTJSHHPLBLNRKR-NDEPHWFRSA-N 0 0 443.591 5.203 50 0 IKAARN COc1ccc(CNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)cc1OC ZINC000015678378 568804734 /nfs/dbraw/zinc/80/47/34/568804734.db2.gz RZOQTQLJVFJOHH-UHFFFAOYSA-N 0 0 446.522 5.095 50 0 IKAARN CCc1ccccc1NC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000015679445 568805149 /nfs/dbraw/zinc/80/51/49/568805149.db2.gz POQAPJSYRAJXHV-UHFFFAOYSA-N 0 0 449.555 5.014 50 0 IKAARN CCOc1ccccc1CNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000015678438 568805230 /nfs/dbraw/zinc/80/52/30/568805230.db2.gz SMCWOYUIZUIDKI-UHFFFAOYSA-N 0 0 426.560 5.646 50 0 IKAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc1 ZINC000015680822 568806188 /nfs/dbraw/zinc/80/61/88/568806188.db2.gz HPPTXHPFRNTXAU-UHFFFAOYSA-N 0 0 446.572 5.125 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1ccccc1Br ZINC000015681382 568806621 /nfs/dbraw/zinc/80/66/21/568806621.db2.gz RUKRDDYMWZSOAW-UHFFFAOYSA-N 0 0 435.325 5.295 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682117 568806842 /nfs/dbraw/zinc/80/68/42/568806842.db2.gz PVMVZJKJBMYTTM-IBGZPJMESA-N 0 0 426.516 6.028 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)cc1 ZINC000015682068 568806870 /nfs/dbraw/zinc/80/68/70/568806870.db2.gz KCDGAFFCXAJSJU-UHFFFAOYSA-N 0 0 428.488 5.168 50 0 biogenic IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682108 568806938 /nfs/dbraw/zinc/80/69/38/568806938.db2.gz HRVNKXYTBGVCCR-UHFFFAOYSA-N 0 0 426.516 5.776 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCCc3ccccc3)cc2)nc1COc1ccccc1 ZINC000015682070 568806956 /nfs/dbraw/zinc/80/69/56/568806956.db2.gz COUHGULNFOUISV-UHFFFAOYSA-N 0 0 426.516 5.592 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCCc3ccccc3)cc2)nc1CSc1ccccc1 ZINC000015682221 568807056 /nfs/dbraw/zinc/80/70/56/568807056.db2.gz AQZSLYRXNFRQMQ-UHFFFAOYSA-N 0 0 442.584 6.305 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3cccs3)cc2)nc1COc1ccc(C)cc1 ZINC000015682152 568807128 /nfs/dbraw/zinc/80/71/28/568807128.db2.gz OTLKWQQLCIZEFT-UHFFFAOYSA-N 0 0 432.545 5.571 50 0 IKAARN COc1cc2c(cc1Br)n(-c1ccccc1)c(C)c2C(=O)N1CCCCC1 ZINC000001441966 568811468 /nfs/dbraw/zinc/81/14/68/568811468.db2.gz GFFWJYDHDYNTMJ-UHFFFAOYSA-N 0 0 427.342 5.336 50 0 IKAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1ccc(F)c(Cl)c1 ZINC000015721097 568811849 /nfs/dbraw/zinc/81/18/49/568811849.db2.gz SAGMDVYZRWVXDP-NRFANRHFSA-N 0 0 426.850 5.344 50 0 IKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3c2C)c1 ZINC000015729408 568813522 /nfs/dbraw/zinc/81/35/22/568813522.db2.gz OQHMGJVKXCGDCC-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)cc1OC ZINC000015729527 568813651 /nfs/dbraw/zinc/81/36/51/568813651.db2.gz HBPSUTUZAYEJCJ-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)c1 ZINC000015729528 568813729 /nfs/dbraw/zinc/81/37/29/568813729.db2.gz LRJLPXGAIFMKHO-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000015732161 568815014 /nfs/dbraw/zinc/81/50/14/568815014.db2.gz SGQKSBHHZJNYRI-GDLZYMKVSA-N 0 0 449.598 7.355 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000015732141 568815038 /nfs/dbraw/zinc/81/50/38/568815038.db2.gz QTWQNJJCVSFBBU-GDLZYMKVSA-N 0 0 449.598 7.355 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015732138 568815108 /nfs/dbraw/zinc/81/51/08/568815108.db2.gz PANFRPHJWUZVPH-LJAQVGFWSA-N 0 0 449.598 7.300 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000015732146 568815131 /nfs/dbraw/zinc/81/51/31/568815131.db2.gz LPVMKNRXIVQWRF-LJAQVGFWSA-N 0 0 449.598 7.355 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733523 568815873 /nfs/dbraw/zinc/81/58/73/568815873.db2.gz WWCBVFOGWMNSCK-KRWDZBQOSA-N 0 0 429.476 5.208 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000015733481 568815893 /nfs/dbraw/zinc/81/58/93/568815893.db2.gz VJDZBMTXGRICOK-OAQYLSRUSA-N 0 0 447.922 6.162 50 0 IKAARN CCC[C@@H](NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)c1cccs1 ZINC000015734855 568816489 /nfs/dbraw/zinc/81/64/89/568816489.db2.gz WYZAZBLGIHZZOJ-QGZVFWFLSA-N 0 0 426.611 5.141 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000085391495 568816613 /nfs/dbraw/zinc/81/66/13/568816613.db2.gz LSGUXPYVINRIIK-UHFFFAOYSA-N 0 0 443.728 5.916 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1 ZINC000085388853 568816641 /nfs/dbraw/zinc/81/66/41/568816641.db2.gz HOMMNISWVQZSRX-UUOWRZLLSA-N 0 0 431.967 6.889 50 0 IKAARN COc1ccc2c(c1)CC[C@H]1CN(C(=S)Nc3ccc(OCc4ccccc4)cc3)N=C21 ZINC000085388812 568816727 /nfs/dbraw/zinc/81/67/27/568816727.db2.gz GZMBSDUSRDLKMF-FQEVSTJZSA-N 0 0 443.572 5.253 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(F)ccc1F)CCCC3 ZINC000015735633 568816828 /nfs/dbraw/zinc/81/68/28/568816828.db2.gz WRXYUHIBEKVBQE-QFIPXVFZSA-N 0 0 441.547 6.441 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(F)c1)CCCC3 ZINC000015735479 568817103 /nfs/dbraw/zinc/81/71/03/568817103.db2.gz XEMOWIYKXSHOIR-XMMPIXPASA-N 0 0 449.595 6.114 50 0 IKAARN FC(F)(F)c1cc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1Cl ZINC000085392126 568817115 /nfs/dbraw/zinc/81/71/15/568817115.db2.gz SLXGMSYYEXTWGW-UHFFFAOYSA-N 0 0 430.882 7.893 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)c3cccs3)cc2oc1C(F)(F)F ZINC000001447974 568817254 /nfs/dbraw/zinc/81/72/54/568817254.db2.gz BBLOCJKFYXLEBL-UHFFFAOYSA-N 0 0 446.402 5.768 50 0 IKAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001448172 568817497 /nfs/dbraw/zinc/81/74/97/568817497.db2.gz BGZDWMPCECTQGV-UHFFFAOYSA-N 0 0 448.402 5.039 50 0 IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 ZINC000001448093 568817499 /nfs/dbraw/zinc/81/74/99/568817499.db2.gz QZSQGIRBZMLBFY-UHFFFAOYSA-N 0 0 436.441 5.043 50 0 IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001448102 568817507 /nfs/dbraw/zinc/81/75/07/568817507.db2.gz FVWVKLZCHYWWGB-UHFFFAOYSA-N 0 0 434.419 5.480 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cn1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1 ZINC000085405827 568817635 /nfs/dbraw/zinc/81/76/35/568817635.db2.gz AFSRJMWKDYKURA-UHFFFAOYSA-N 0 0 438.358 5.593 50 0 IKAARN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)c1 ZINC000001447551 568817660 /nfs/dbraw/zinc/81/76/60/568817660.db2.gz BIUBSRZFWGNIHV-IBGZPJMESA-N 0 0 438.453 5.697 50 0 IKAARN CCCNC(=O)[C@H](CCC)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405327 568817694 /nfs/dbraw/zinc/81/76/94/568817694.db2.gz MJLLHDJXHCLNRZ-IBGZPJMESA-N 0 0 436.358 5.940 50 0 IKAARN CC[C@H](C)NC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3cc(C)ccc3C)cn21 ZINC000085410328 568817877 /nfs/dbraw/zinc/81/78/77/568817877.db2.gz VDSIMKDADCGTJH-NRFANRHFSA-N 0 0 425.576 6.132 50 0 IKAARN O=C1O[C@@H]2C=CC=C[C@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 ZINC000001452986 568818862 /nfs/dbraw/zinc/81/88/62/568818862.db2.gz VPISIZKQRYTQNU-IFXJQAMLSA-N 0 0 428.435 5.056 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)s1 ZINC000001453770 568819036 /nfs/dbraw/zinc/81/90/36/568819036.db2.gz UETCPJUTMOAIOM-YLJYHZDGSA-N 0 0 426.339 5.456 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2cccc3ccccc32)s1 ZINC000001454043 568819145 /nfs/dbraw/zinc/81/91/45/568819145.db2.gz REGKTLKRZZAITQ-UHFFFAOYSA-N 0 0 447.610 6.228 50 0 IKAARN CCCNC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3ccc(C(C)=O)cc3)cn21 ZINC000085421194 568819485 /nfs/dbraw/zinc/81/94/85/568819485.db2.gz MHIUMLKCSLEQIC-UHFFFAOYSA-N 0 0 439.559 5.638 50 0 IKAARN Cc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000085421373 568819659 /nfs/dbraw/zinc/81/96/59/568819659.db2.gz BEJSNZJMDWIHDA-UHFFFAOYSA-N 0 0 443.522 5.041 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3)cc3cc(OC)c(OC)cc32)cc1 ZINC000001464592 568820036 /nfs/dbraw/zinc/82/00/36/568820036.db2.gz CQRYVGIOUBBYEZ-UHFFFAOYSA-N 0 0 427.500 6.175 50 0 IKAARN COc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1C ZINC000001463717 568820066 /nfs/dbraw/zinc/82/00/66/568820066.db2.gz PTUUXCANDYVZNN-UHFFFAOYSA-N 0 0 443.480 5.606 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)c3ccccc3n2)cc1OC ZINC000006074165 568821141 /nfs/dbraw/zinc/82/11/41/568821141.db2.gz KNRNBQFJAYVFBQ-UHFFFAOYSA-N 0 0 426.472 5.374 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(-c4cc5ccccc5cc4O)o3)c(=O)oc2c1 ZINC000006078547 568821476 /nfs/dbraw/zinc/82/14/76/568821476.db2.gz DAVSDUSQTJJXSQ-UHFFFAOYSA-N 0 0 427.460 5.215 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000015770900 568822319 /nfs/dbraw/zinc/82/23/19/568822319.db2.gz ROZOTJVTPSLJPD-UHFFFAOYSA-N 0 0 438.918 6.277 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2ccc(N3CCSc4ncccc43)s2)cc1 ZINC000015769820 568822350 /nfs/dbraw/zinc/82/23/50/568822350.db2.gz VECKSXHUZWGIAQ-UHFFFAOYSA-N 0 0 425.579 5.104 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c(C)c1 ZINC000015770936 568822500 /nfs/dbraw/zinc/82/25/00/568822500.db2.gz IGTMLERBKWFILT-UHFFFAOYSA-N 0 0 429.495 5.247 50 0 IKAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000015770969 568822522 /nfs/dbraw/zinc/82/25/22/568822522.db2.gz RZLNIDCOFFXONG-UHFFFAOYSA-N 0 0 431.923 5.399 50 0 IKAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)c1C ZINC000015770956 568822576 /nfs/dbraw/zinc/82/25/76/568822576.db2.gz PQMNITKCQLFVMX-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN O=C(CNc1ccccc1Cl)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000063655929 568824080 /nfs/dbraw/zinc/82/40/80/568824080.db2.gz UCGTVCWHVZFBNN-UHFFFAOYSA-N 0 0 425.743 5.180 50 0 IKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000085590969 568825989 /nfs/dbraw/zinc/82/59/89/568825989.db2.gz DUUDJFQXYLJGCD-UHFFFAOYSA-N 0 0 434.337 6.804 50 0 IKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000085590980 568826008 /nfs/dbraw/zinc/82/60/08/568826008.db2.gz UXNIUAKAEHKWIT-UHFFFAOYSA-N 0 0 449.938 6.712 50 0 IKAARN Cc1c(NC(=O)c2ccc(OC(C)C)cc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000026046616 568826322 /nfs/dbraw/zinc/82/63/22/568826322.db2.gz KMMLDAFTAAZGQP-UHFFFAOYSA-N 0 0 434.561 5.295 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C)c2nc(-c3cccs3)no2)n1-c1ccccc1 ZINC000026040385 568826525 /nfs/dbraw/zinc/82/65/25/568826525.db2.gz NLANHTKHBVZRRD-AWEZNQCLSA-N 0 0 435.534 5.801 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001497980 568827871 /nfs/dbraw/zinc/82/78/71/568827871.db2.gz GDZCDGBDHMRENS-OAQYLSRUSA-N 0 0 445.733 5.831 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001497978 568827888 /nfs/dbraw/zinc/82/78/88/568827888.db2.gz GDZCDGBDHMRENS-NRFANRHFSA-N 0 0 445.733 5.831 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2ccc(Br)cc2)cc1 ZINC000017118281 568828931 /nfs/dbraw/zinc/82/89/31/568828931.db2.gz URAQWUKSEIIJRB-VWNXMTODSA-N 0 0 449.348 5.874 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(Cl)c4)no3)o2)c(C)c1 ZINC000085643967 568829031 /nfs/dbraw/zinc/82/90/31/568829031.db2.gz AWVIDWHJMMVGCI-UHFFFAOYSA-N 0 0 428.897 5.241 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4Cl)no3)o2)cc1Cl ZINC000085644268 568829192 /nfs/dbraw/zinc/82/91/92/568829192.db2.gz OEQJDGFDAMNPFS-UHFFFAOYSA-N 0 0 449.315 5.586 50 0 IKAARN Cc1cccc(CS(=O)(=O)Cc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)o2)c1 ZINC000085644207 568829234 /nfs/dbraw/zinc/82/92/34/568829234.db2.gz PZJJRBSNRDDRHO-UHFFFAOYSA-N 0 0 428.897 5.073 50 0 IKAARN CCOC(=O)c1ccc2c(c1)N(Cc1ncc(C)c(OC)c1C)C(=O)c1ccccc1S2 ZINC000015784875 568829794 /nfs/dbraw/zinc/82/97/94/568829794.db2.gz ISRAWCXKYNDUJO-UHFFFAOYSA-N 0 0 448.544 5.195 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)c(C)c1 ZINC000015785193 568829934 /nfs/dbraw/zinc/82/99/34/568829934.db2.gz LHASGKLOJFMPDJ-UHFFFAOYSA-N 0 0 429.495 5.213 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000085649167 568830716 /nfs/dbraw/zinc/83/07/16/568830716.db2.gz ADKPNPWLTXWIEQ-UHFFFAOYSA-N 0 0 432.543 5.480 50 0 IKAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000085648797 568830771 /nfs/dbraw/zinc/83/07/71/568830771.db2.gz FLNSEWKZVFCSJT-SFHVURJKSA-N 0 0 433.508 5.232 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1OC ZINC000085650240 568830945 /nfs/dbraw/zinc/83/09/45/568830945.db2.gz XDMAVIKPJANIDB-CSKARUKUSA-N 0 0 425.510 5.043 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000085649763 568831045 /nfs/dbraw/zinc/83/10/45/568831045.db2.gz JNYWAZFJTDWQDO-QGZVFWFLSA-N 0 0 442.494 5.526 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3)n2)cc1 ZINC000085649636 568831049 /nfs/dbraw/zinc/83/10/49/568831049.db2.gz ONDOXYXPOKLJAA-VWLOTQADSA-N 0 0 434.543 6.003 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c(OC)c1 ZINC000085649772 568831054 /nfs/dbraw/zinc/83/10/54/568831054.db2.gz ALYWXWKAJWIIRA-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649514 568831062 /nfs/dbraw/zinc/83/10/62/568831062.db2.gz SADAQQARKXISRV-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649782 568831247 /nfs/dbraw/zinc/83/12/47/568831247.db2.gz XQRFBXQEAIZJOF-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649787 568831274 /nfs/dbraw/zinc/83/12/74/568831274.db2.gz OPQVNMFVASQUIW-IBGZPJMESA-N 0 0 440.522 5.777 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649777 568831304 /nfs/dbraw/zinc/83/13/04/568831304.db2.gz ZLZRCANEQBYFDV-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c(C)c1 ZINC000085651535 568831446 /nfs/dbraw/zinc/83/14/46/568831446.db2.gz DWPCZSXLGRJFPC-UHFFFAOYSA-N 0 0 442.485 5.878 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 ZINC000085651530 568831448 /nfs/dbraw/zinc/83/14/48/568831448.db2.gz YVCVDZUCLJNLQG-UHFFFAOYSA-N 0 0 445.441 5.521 50 0 IKAARN CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000015785704 568831867 /nfs/dbraw/zinc/83/18/67/568831867.db2.gz FMWANQZARNFAOY-VWLOTQADSA-N 0 0 427.891 5.794 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000085653678 568832246 /nfs/dbraw/zinc/83/22/46/568832246.db2.gz IULAUIVFVQQRNZ-UHFFFAOYSA-N 0 0 430.483 5.088 50 0 IKAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@@]1(C)c1ccccc1Cl ZINC000015785659 568832251 /nfs/dbraw/zinc/83/22/51/568832251.db2.gz SZUSAPLAEDMPRG-SANMLTNESA-N 0 0 441.918 5.968 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4cccc(C)c4)ccc3[nH]2)cc1 ZINC000085653725 568832252 /nfs/dbraw/zinc/83/22/52/568832252.db2.gz MWBLRYMGCRLGPO-UHFFFAOYSA-N 0 0 426.520 5.257 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NC4CCCCCC4)ccc3[nH]2)cc1 ZINC000085653670 568832258 /nfs/dbraw/zinc/83/22/58/568832258.db2.gz QKYURZACJKLRNI-UHFFFAOYSA-N 0 0 432.568 5.149 50 0 IKAARN CC(=O)N1N=C(c2c(F)cccc2Cl)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000015785734 568832426 /nfs/dbraw/zinc/83/24/26/568832426.db2.gz NKWPZTOKYGWFMS-VWLOTQADSA-N 0 0 445.881 5.933 50 0 IKAARN Cc1c2cc(S(=O)(=O)Nc3ccccc3)ccc2oc1-c1nc(-c2ccccc2)no1 ZINC000085654768 568834023 /nfs/dbraw/zinc/83/40/23/568834023.db2.gz ACVKUCFPEWGZIB-UHFFFAOYSA-N 0 0 431.473 5.259 50 0 IKAARN CCn1c2ccccc2n2c1nc(-c1ccc(Cl)cc1)c2C(=S)Nc1ccccc1 ZINC000001504790 568834043 /nfs/dbraw/zinc/83/40/43/568834043.db2.gz ADPRWSPFDRCHGK-UHFFFAOYSA-N 0 0 430.964 6.417 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 ZINC000001506187 568834312 /nfs/dbraw/zinc/83/43/12/568834312.db2.gz NQZITRFRLJBFIB-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3nc(CN4CCc5ccccc54)c(C)o3)cc2)o1 ZINC000015785953 568834316 /nfs/dbraw/zinc/83/43/16/568834316.db2.gz WWKJMCLSWZZOSQ-UHFFFAOYSA-N 0 0 427.504 5.044 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)Cc3ccco3)cc2)nc1CN1CCc2ccccc21 ZINC000015785955 568834342 /nfs/dbraw/zinc/83/43/42/568834342.db2.gz PHUGLYLXNNTDIT-SFHVURJKSA-N 0 0 441.531 5.167 50 0 IKAARN CSc1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000001507299 568834717 /nfs/dbraw/zinc/83/47/17/568834717.db2.gz NFUHWALRVJYEBF-UHFFFAOYSA-N 0 0 436.540 6.038 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000085712144 568835327 /nfs/dbraw/zinc/83/53/27/568835327.db2.gz VXZNGUXHRWPORQ-UHFFFAOYSA-N 0 0 443.931 5.597 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2ccc(C)c(F)c2)c1C ZINC000085712205 568835346 /nfs/dbraw/zinc/83/53/46/568835346.db2.gz PIGSSIDXJSYJQP-UHFFFAOYSA-N 0 0 427.476 5.083 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2cccc(F)c2)c1C ZINC000085711977 568835390 /nfs/dbraw/zinc/83/53/90/568835390.db2.gz OMZRWZKJLRNTGE-UHFFFAOYSA-N 0 0 437.515 5.490 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)NCc2ccc(C)cc2)c1C ZINC000085711941 568835444 /nfs/dbraw/zinc/83/54/44/568835444.db2.gz BAKANOKOLIMXJV-UHFFFAOYSA-N 0 0 447.579 5.337 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccccc2CC)C2CCCCC2)c1C ZINC000085712315 568835456 /nfs/dbraw/zinc/83/54/56/568835456.db2.gz OHLXSQLNCIYONV-UHFFFAOYSA-N 0 0 425.573 5.737 50 0 IKAARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000001508718 568835532 /nfs/dbraw/zinc/83/55/32/568835532.db2.gz BFRLHYLKJMAIOY-XMMPIXPASA-N 0 0 434.536 5.160 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)c1C ZINC000085711679 568835823 /nfs/dbraw/zinc/83/58/23/568835823.db2.gz PPUSBGMCCVJLJY-UHFFFAOYSA-N 0 0 438.955 5.233 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccccc2F)c1C ZINC000085711919 568836147 /nfs/dbraw/zinc/83/61/47/568836147.db2.gz HUCKGSHEBZRFNM-UHFFFAOYSA-N 0 0 437.515 5.490 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Br)cc2C)sc2nc(-c3ccc(F)cc3)cn12 ZINC000015786528 568836326 /nfs/dbraw/zinc/83/63/26/568836326.db2.gz QTHCIJQPNKQDAO-UHFFFAOYSA-N 0 0 444.329 5.834 50 0 IKAARN Brc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccnc2)cc1 ZINC000001836482 568836585 /nfs/dbraw/zinc/83/65/85/568836585.db2.gz FCWPRONUJYTDEP-VMPITWQZSA-N 0 0 449.377 5.897 50 0 IKAARN Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001232206 568836672 /nfs/dbraw/zinc/83/66/72/568836672.db2.gz DHXHUFYDHCARMH-RCCKNPSSSA-N 0 0 435.321 5.167 50 0 IKAARN CCSc1cc(-c2ccc(OC)c(OCc3ccccc3)c2)c2c(n1)C1CCN2CC1 ZINC000101697675 568837219 /nfs/dbraw/zinc/83/72/19/568837219.db2.gz KUKPTOMLSZGKFK-UHFFFAOYSA-N 0 0 432.589 6.146 50 0 IKAARN O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C2SCCS2)cc1 ZINC000015787726 568837948 /nfs/dbraw/zinc/83/79/48/568837948.db2.gz ZSPBPCAHUMFPEM-FQEVSTJZSA-N 0 0 433.042 5.386 50 0 IKAARN CCc1ccc(-c2cc(C(=O)O[C@@H](CC)C(=O)c3ccccc3)c3cc(C)ccc3n2)cc1 ZINC000002079474 568838268 /nfs/dbraw/zinc/83/82/68/568838268.db2.gz PWQFSFARZPCUQH-MHZLTWQESA-N 0 0 437.539 6.591 50 0 IKAARN O=C(c1sc2ccccc2c1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019827968 568838349 /nfs/dbraw/zinc/83/83/49/568838349.db2.gz UPBDGUXIGSINDW-UHFFFAOYSA-N 0 0 447.003 6.102 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006121809 568838377 /nfs/dbraw/zinc/83/83/77/568838377.db2.gz XKCNTWPKKDJODM-QZTJIDSGSA-N 0 0 427.610 6.208 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000002532900 568838401 /nfs/dbraw/zinc/83/84/01/568838401.db2.gz BBWQRAWQEPNPTC-UHFFFAOYSA-N 0 0 433.508 5.020 50 0 IKAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)c3ccccc3)c21 ZINC000085877195 568838494 /nfs/dbraw/zinc/83/84/94/568838494.db2.gz UYXGSZNEGFIYKD-FQEVSTJZSA-N 0 0 444.531 5.032 50 0 biogenic IKAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)c2C(=O)OC)C1 ZINC000006122446 568838990 /nfs/dbraw/zinc/83/89/90/568838990.db2.gz MFHAQRDSARVITJ-DKGMDFAASA-N 0 0 425.594 5.999 50 0 IKAARN CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1Br ZINC000001515809 568839589 /nfs/dbraw/zinc/83/95/89/568839589.db2.gz PUIASJDLAWQRCR-UHFFFAOYSA-N 0 0 434.742 6.286 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 ZINC000015822618 568839990 /nfs/dbraw/zinc/83/99/90/568839990.db2.gz GHWQXALBUUPIRA-DEOSSOPVSA-N 0 0 432.976 6.331 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000015822585 568840074 /nfs/dbraw/zinc/84/00/74/568840074.db2.gz QVBDONRYVUZMQW-XMMPIXPASA-N 0 0 432.976 6.331 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1F ZINC000015824583 568840348 /nfs/dbraw/zinc/84/03/48/568840348.db2.gz IXHRHALTKBMTGB-UHFFFAOYSA-N 0 0 432.904 5.193 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000015824600 568840511 /nfs/dbraw/zinc/84/05/11/568840511.db2.gz TXYZAMRTLBBFKJ-UHFFFAOYSA-N 0 0 442.968 5.670 50 0 IKAARN O=C(CSc1nccn1Cc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000015825513 568840525 /nfs/dbraw/zinc/84/05/25/568840525.db2.gz KHZBRRMMOCPAGQ-UHFFFAOYSA-N 0 0 441.862 5.214 50 0 IKAARN COc1ccc(NC(=O)COc2cc(CSc3ccc(Cl)cc3)ncc2OC)cc1 ZINC000015824577 568840528 /nfs/dbraw/zinc/84/05/28/568840528.db2.gz MVDZBRCQXXPLPP-UHFFFAOYSA-N 0 0 444.940 5.062 50 0 IKAARN COc1cnc(CSc2ccc(C)cc2)cc1OCC(=O)N1CCCc2ccccc21 ZINC000015824758 568840595 /nfs/dbraw/zinc/84/05/95/568840595.db2.gz CMIOKQKUYSNSSH-UHFFFAOYSA-N 0 0 434.561 5.049 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(-n5cnnc5)n4)cc3)nc2c1 ZINC000015826218 568840741 /nfs/dbraw/zinc/84/07/41/568840741.db2.gz IEODXBPMUYKTBB-INIZCTEOSA-N 0 0 438.491 5.236 50 0 IKAARN CCN1c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2Sc2ccccc2C1=O ZINC000015826070 568840815 /nfs/dbraw/zinc/84/08/15/568840815.db2.gz JWUQEKRWFYNSCN-UHFFFAOYSA-N 0 0 442.496 5.177 50 0 IKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Sc2ccc(F)cc2)cc1 ZINC000015828785 568841250 /nfs/dbraw/zinc/84/12/50/568841250.db2.gz RJFIGMOSJZBETG-UHFFFAOYSA-N 0 0 439.533 5.675 50 0 IKAARN Cc1csc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000015830436 568841479 /nfs/dbraw/zinc/84/14/79/568841479.db2.gz ROFLNJGHICHRQL-GOSISDBHSA-N 0 0 432.774 6.223 50 0 IKAARN O=C(Nc1c(Br)cc(Br)cc1Br)c1ccccc1 ZINC000000640950 568841628 /nfs/dbraw/zinc/84/16/28/568841628.db2.gz MQMMMYYXCFHQQF-UHFFFAOYSA-N 0 0 433.925 5.226 50 0 IKAARN CNC(=O)c1ccccc1[C@H](c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000000641285 568841665 /nfs/dbraw/zinc/84/16/65/568841665.db2.gz AQUFUTNOSNFEKQ-NSOVKSMOSA-N 0 0 437.539 5.491 50 0 IKAARN CC(C)OC(=O)c1c(C(=O)OC(C)C)c2c3ccccc3ccn2c1C(=O)c1ccccc1 ZINC000004542234 568841744 /nfs/dbraw/zinc/84/17/44/568841744.db2.gz GGUFCKZHBFXLFI-UHFFFAOYSA-N 0 0 443.499 5.454 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2ccc(C(C)(C)C)cc12 ZINC000004542461 568841842 /nfs/dbraw/zinc/84/18/42/568841842.db2.gz PECRRTNJXOUWJY-UHFFFAOYSA-N 0 0 425.528 6.312 50 0 IKAARN CCOC(=O)c1ccc(NCc2ccc(CNc3ccc(C(=O)OCC)cc3)cc2)cc1 ZINC000001568770 568842015 /nfs/dbraw/zinc/84/20/15/568842015.db2.gz KWCFZLRSEWIXMP-UHFFFAOYSA-N 0 0 432.520 5.264 50 0 IKAARN O=C(Nc1c(Br)cc(Cl)cc1Br)C(Cl)(Cl)Cl ZINC000002172267 568842121 /nfs/dbraw/zinc/84/21/21/568842121.db2.gz CITJTJWCPJRIRS-UHFFFAOYSA-N 0 0 430.738 5.174 50 0 IKAARN O=C(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Oc1cc(Cl)c(Cl)cc1Cl ZINC000003080887 568842153 /nfs/dbraw/zinc/84/21/53/568842153.db2.gz PWZYGWAQEWLCJF-UHFFFAOYSA-N 0 0 448.900 6.118 50 0 IKAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000002905398 568842187 /nfs/dbraw/zinc/84/21/87/568842187.db2.gz RVGNNKXBYYXPGA-AWEZNQCLSA-N 0 0 445.243 5.409 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccc3)cc2)cc1)Oc1ccccc1 ZINC000002163790 568842216 /nfs/dbraw/zinc/84/22/16/568842216.db2.gz LKYATCXVAUHHMS-UHFFFAOYSA-N 0 0 438.483 6.499 50 0 IKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)CCc4ccccc4)cc3s2)c1 ZINC000015832828 568842222 /nfs/dbraw/zinc/84/22/22/568842222.db2.gz KCJHXNAMUKRYDV-UHFFFAOYSA-N 0 0 448.613 6.347 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1Cl)O2 ZINC000036372945 568842346 /nfs/dbraw/zinc/84/23/46/568842346.db2.gz MBMDJBFJGOBUQY-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN CC(=O)Nc1cccc(OCCCCCCCCCCOc2cccc(NC(C)=O)c2)c1 ZINC000025668651 568842554 /nfs/dbraw/zinc/84/25/54/568842554.db2.gz FQIFARMAWAKXKI-UHFFFAOYSA-N 0 0 440.584 6.182 50 0 IKAARN CC(=O)Nc1ccccc1OCCCCCCCCCCOc1ccccc1NC(C)=O ZINC000025668812 568842571 /nfs/dbraw/zinc/84/25/71/568842571.db2.gz HGXLTYCOHZVQJF-UHFFFAOYSA-N 0 0 440.584 6.182 50 0 IKAARN ClC(Cl)=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)=C(Cl)Cl ZINC000101019819 568843701 /nfs/dbraw/zinc/84/37/01/568843701.db2.gz ZCSVEBNKFRWCBM-UHFFFAOYSA-N 0 0 426.596 7.105 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000028065000 568842749 /nfs/dbraw/zinc/84/27/49/568842749.db2.gz GBFPHMNTXVUHDI-QFIPXVFZSA-N 0 0 447.585 6.245 50 0 IKAARN COc1ccc(OC)c(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)n2)c1 ZINC000028064491 568842768 /nfs/dbraw/zinc/84/27/68/568842768.db2.gz MZNIODFXJNPKGM-NRFANRHFSA-N 0 0 447.585 6.245 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)n2)c(O)c1 ZINC000039959711 568842905 /nfs/dbraw/zinc/84/29/05/568842905.db2.gz YQIOTMKBPLTKOY-FQEVSTJZSA-N 0 0 433.558 5.942 50 0 IKAARN C[C@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000043191241 568842935 /nfs/dbraw/zinc/84/29/35/568842935.db2.gz OHFLVUHLQDXKDF-LLVKDONJSA-N 0 0 448.367 5.056 50 0 IKAARN CC(C)[C@@H](CSc1ccccc1)[C@H](CCC1(C)OCCO1)S(=O)(=O)c1ccccc1 ZINC000043762997 568843187 /nfs/dbraw/zinc/84/31/87/568843187.db2.gz XPMSIRZWNRTPPW-PKTZIBPZSA-N 0 0 448.650 5.437 50 0 IKAARN c1ccc2c(c1)CC1=C(C2)CC2=C(C1)CC1=C(C2)CC2=C(CC3=C(Cc4ccccc4C3)C2)C1 ZINC000071786642 568843569 /nfs/dbraw/zinc/84/35/69/568843569.db2.gz UBEDTVDLBYCHSI-UHFFFAOYSA-N 0 0 440.630 8.242 50 0 IKAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000015842250 568844702 /nfs/dbraw/zinc/84/47/02/568844702.db2.gz NPOVJZQSMIHHEB-UHFFFAOYSA-N 0 0 440.532 5.427 50 0 IKAARN Clc1ccc(Cl)c(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c1 ZINC000006143837 568845822 /nfs/dbraw/zinc/84/58/22/568845822.db2.gz GOALXZFLPRXWOL-UHFFFAOYSA-N 0 0 438.177 6.723 50 0 IKAARN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000006147225 568846254 /nfs/dbraw/zinc/84/62/54/568846254.db2.gz AOUTZIYYNSFYLY-UHFFFAOYSA-N 0 0 440.503 5.158 50 0 IKAARN CCOC(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 ZINC000006148262 568846601 /nfs/dbraw/zinc/84/66/01/568846601.db2.gz PTZQUNAQBNMGCO-UHFFFAOYSA-N 0 0 428.879 5.466 50 0 IKAARN CCCCc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 ZINC000006148294 568846764 /nfs/dbraw/zinc/84/67/64/568846764.db2.gz WDEUITRIKBCRTN-UHFFFAOYSA-N 0 0 434.587 7.276 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 ZINC000015859504 568847438 /nfs/dbraw/zinc/84/74/38/568847438.db2.gz ISELTRGCVWYDSD-DEOSSOPVSA-N 0 0 446.934 5.760 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1 ZINC000015859513 568847580 /nfs/dbraw/zinc/84/75/80/568847580.db2.gz BWGVRALXNXRXLD-XMMPIXPASA-N 0 0 430.479 5.246 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@@H](Nc1ccccn1)c1ccccn1 ZINC000015859765 568847825 /nfs/dbraw/zinc/84/78/25/568847825.db2.gz XZFPDVBPLGUEQV-DEOSSOPVSA-N 0 0 439.544 5.782 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000015860994 568848028 /nfs/dbraw/zinc/84/80/28/568848028.db2.gz DDZRIUOQGNFBKL-DEOSSOPVSA-N 0 0 440.934 6.153 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCCCC4)c(N)c32)cc1 ZINC000006157152 568848276 /nfs/dbraw/zinc/84/82/76/568848276.db2.gz DJJMNOGQHDIBQI-UHFFFAOYSA-N 0 0 443.572 5.847 50 0 IKAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4n[nH]c5c4CCc4ccccc4-5)cc3)nc2c1 ZINC000015861917 568848410 /nfs/dbraw/zinc/84/84/10/568848410.db2.gz NZZMXONUSUUNBO-UHFFFAOYSA-N 0 0 447.542 5.398 50 0 IKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1C ZINC000006161567 568848871 /nfs/dbraw/zinc/84/88/71/568848871.db2.gz UUZODLOTPOLTDU-UHFFFAOYSA-N 0 0 430.371 5.164 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)COc2ccc(Cl)cc2)C2CCCCC2)c1C ZINC000015862492 568848897 /nfs/dbraw/zinc/84/88/97/568848897.db2.gz NUOLQDTZWFHFRB-UHFFFAOYSA-N 0 0 446.975 5.202 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)CSc2ccccc2)C2CCCCC2)c1C ZINC000015862496 568848920 /nfs/dbraw/zinc/84/89/20/568848920.db2.gz OOTMKDPSPDLANW-UHFFFAOYSA-N 0 0 428.598 5.262 50 0 IKAARN COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)cc(C)c2)c3=O)c1 ZINC000006162620 568849030 /nfs/dbraw/zinc/84/90/30/568849030.db2.gz LULJXXMAUHOZLK-UHFFFAOYSA-N 0 0 446.455 5.439 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc4[nH]c(CCc5ccccc5)nc4c3)n[nH]2)cc1 ZINC000015863888 568849487 /nfs/dbraw/zinc/84/94/87/568849487.db2.gz PVSXWCYQZUYLTC-UHFFFAOYSA-N 0 0 435.531 5.553 50 0 IKAARN CC(C)c1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccs3)no2)cc1 ZINC000015863968 568849562 /nfs/dbraw/zinc/84/95/62/568849562.db2.gz YEVSFWLDNAVUGI-UHFFFAOYSA-N 0 0 445.591 5.475 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Nc1ccccc1Br ZINC000015864430 568849897 /nfs/dbraw/zinc/84/98/97/568849897.db2.gz URWCUSKRHONFMM-UHFFFAOYSA-N 0 0 438.281 5.910 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(Cl)cc5)c4c3)C[C@H]2C)c1 ZINC000015864997 568849912 /nfs/dbraw/zinc/84/99/12/568849912.db2.gz NGDZMQZRXKIKDW-GOSISDBHSA-N 0 0 445.950 5.808 50 0 IKAARN CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1cc(=O)c2ccccc2[nH]1 ZINC000015865309 568850102 /nfs/dbraw/zinc/85/01/02/568850102.db2.gz KMBJERDEJNZNAS-UHFFFAOYSA-N 0 0 448.592 5.308 50 0 IKAARN CCCC(=O)Nc1ccc2nc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)sc2c1 ZINC000015865298 568850103 /nfs/dbraw/zinc/85/01/03/568850103.db2.gz FJCZQEOYDBAUTM-UHFFFAOYSA-N 0 0 443.981 5.822 50 0 IKAARN CCn1c(COc2cccc(C)c2C)nnc1SCc1cc(=O)c2ccc(C)c(C)c2[nH]1 ZINC000015865317 568850106 /nfs/dbraw/zinc/85/01/06/568850106.db2.gz CZTMGCPMHKTBOY-UHFFFAOYSA-N 0 0 448.592 5.244 50 0 IKAARN Clc1ccc(-c2nnc([C@H](c3ccccc3)N3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000015864519 568850140 /nfs/dbraw/zinc/85/01/40/568850140.db2.gz FYQYBNZAOBSWBP-DEOSSOPVSA-N 0 0 427.935 6.269 50 0 IKAARN Cc1cccc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C[C@@H]2C)c1 ZINC000015864916 568850271 /nfs/dbraw/zinc/85/02/71/568850271.db2.gz VUQFHBFHRLBVQR-KRWDZBQOSA-N 0 0 434.996 6.035 50 0 IKAARN CCCCC1CCC(C(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)CC1 ZINC000015865570 568850286 /nfs/dbraw/zinc/85/02/86/568850286.db2.gz ROHDYKPTOWHWNC-UHFFFAOYSA-N 0 0 447.579 5.517 50 0 IKAARN Cc1ccc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)c(C)c1 ZINC000015864921 568850355 /nfs/dbraw/zinc/85/03/55/568850355.db2.gz FAEQCZXWLXFRSY-UHFFFAOYSA-N 0 0 434.996 5.955 50 0 IKAARN CCc1nc2c3ccccc3oc2c(Oc2ccc(Cl)cc2[C@H](C)c2ccccc2)n1 ZINC000015866550 568850660 /nfs/dbraw/zinc/85/06/60/568850660.db2.gz DABDGPQXZOCSHO-MRXNPFEDSA-N 0 0 428.919 7.536 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000015868204 568851004 /nfs/dbraw/zinc/85/10/04/568851004.db2.gz WEPQVCSLJLFRJH-NSHDSACASA-N 0 0 429.332 5.571 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Cl)ccc4C)nc3n2)cc1 ZINC000015868175 568851069 /nfs/dbraw/zinc/85/10/69/568851069.db2.gz ZKLARBIMQSXFRD-UHFFFAOYSA-N 0 0 445.832 5.333 50 0 IKAARN Cc1ccccc1N1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2S1(=O)=O ZINC000015868371 568851330 /nfs/dbraw/zinc/85/13/30/568851330.db2.gz RKWLMQBZBWFWBR-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3CC)c2)cc1 ZINC000015870445 568851725 /nfs/dbraw/zinc/85/17/25/568851725.db2.gz COWSPZOVBGBBED-UHFFFAOYSA-N 0 0 447.604 5.595 50 0 IKAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc2ccccc21 ZINC000015870598 568852006 /nfs/dbraw/zinc/85/20/06/568852006.db2.gz BKBWHJSZSUZDFV-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN CCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2CC)c1 ZINC000015870500 568852013 /nfs/dbraw/zinc/85/20/13/568852013.db2.gz IDFMGHJCQQMKMK-UHFFFAOYSA-N 0 0 433.577 5.205 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000015870676 568852203 /nfs/dbraw/zinc/85/22/03/568852203.db2.gz LWBLQDGBLGCGBQ-UHFFFAOYSA-N 0 0 439.968 5.121 50 0 IKAARN CCOc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000015880707 568854211 /nfs/dbraw/zinc/85/42/11/568854211.db2.gz CZDVESKPVDPMOK-UHFFFAOYSA-N 0 0 430.917 5.020 50 0 IKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000015881254 568855172 /nfs/dbraw/zinc/85/51/72/568855172.db2.gz GBKJRNBLKWGHPM-UHFFFAOYSA-N 0 0 439.555 7.133 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3)c2O1 ZINC000015881160 568855192 /nfs/dbraw/zinc/85/51/92/568855192.db2.gz QHQKALNIUSZTHD-UHFFFAOYSA-N 0 0 442.342 6.538 50 0 IKAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000015881454 568855253 /nfs/dbraw/zinc/85/52/53/568855253.db2.gz MEWYRUZHEZIOPI-UHFFFAOYSA-N 0 0 444.413 5.181 50 0 IKAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC000015881453 568855271 /nfs/dbraw/zinc/85/52/71/568855271.db2.gz YESJJEKVHWHXAO-UHFFFAOYSA-N 0 0 428.414 5.301 50 0 IKAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC000015881574 568855347 /nfs/dbraw/zinc/85/53/47/568855347.db2.gz KUWSUMLKPBKNJC-UHFFFAOYSA-N 0 0 442.441 5.547 50 0 IKAARN C[C@@H](NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(nc(Cl)c4ncn(C)c34)s2)c1 ZINC000575372304 568855405 /nfs/dbraw/zinc/85/54/05/568855405.db2.gz VMGNOIOURLJYFG-LLVKDONJSA-N 0 0 443.960 5.484 50 0 IKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000015881543 568855412 /nfs/dbraw/zinc/85/54/12/568855412.db2.gz PRAGJWKOVBFOIA-UHFFFAOYSA-N 0 0 429.307 5.760 50 0 IKAARN COc1ccc2nc(N3CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)sc2c1 ZINC000015882389 568856566 /nfs/dbraw/zinc/85/65/66/568856566.db2.gz QJBTVMXZLHHDFX-UHFFFAOYSA-N 0 0 445.544 5.060 50 0 IKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cccc(Br)c1 ZINC000015882492 568856953 /nfs/dbraw/zinc/85/69/53/568856953.db2.gz JXRSFABKELENOF-UHFFFAOYSA-N 0 0 448.320 5.017 50 0 IKAARN O=C(c1cc2cccnc2n(Cc2ccccc2)c1=O)N(C1CCCCC1)C1CCCCC1 ZINC000015883288 568857434 /nfs/dbraw/zinc/85/74/34/568857434.db2.gz LEPBKSOKKUEZSR-UHFFFAOYSA-N 0 0 443.591 5.552 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883323 568857566 /nfs/dbraw/zinc/85/75/66/568857566.db2.gz ADDFPYWEYVJHFI-UHFFFAOYSA-N 0 0 443.522 5.026 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883311 568857579 /nfs/dbraw/zinc/85/75/79/568857579.db2.gz HPEOZZYXWZNXPB-UHFFFAOYSA-N 0 0 447.494 5.489 50 0 IKAARN CCCCN(C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)c1ccccc1 ZINC000015883346 568857604 /nfs/dbraw/zinc/85/76/04/568857604.db2.gz WZESUOJTHZDXEC-UHFFFAOYSA-N 0 0 429.495 5.031 50 0 IKAARN COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015883909 568858123 /nfs/dbraw/zinc/85/81/23/568858123.db2.gz ARMRZKOJDCZROC-UHFFFAOYSA-N 0 0 442.968 5.058 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)ccc21 ZINC000006180188 568858243 /nfs/dbraw/zinc/85/82/43/568858243.db2.gz KLSPIOCMALPVRS-UHFFFAOYSA-N 0 0 442.522 6.677 50 0 IKAARN Clc1ccc2c(c1)nc(SC(c1ccccc1)c1ccccc1)n2Cc1ccccc1 ZINC000015914015 568858654 /nfs/dbraw/zinc/85/86/54/568858654.db2.gz ZAEWCVZUWPTISK-UHFFFAOYSA-N 0 0 440.999 7.620 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000015912057 568858715 /nfs/dbraw/zinc/85/87/15/568858715.db2.gz GWDVJJWLRCIVFD-MRXNPFEDSA-N 0 0 438.358 6.191 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 ZINC000015981081 568861907 /nfs/dbraw/zinc/86/19/07/568861907.db2.gz HBHBTHSSEDOXMI-GOSISDBHSA-N 0 0 445.588 6.278 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1oc2ccccc2c1CSC1CCCCC1 ZINC000015982418 568861929 /nfs/dbraw/zinc/86/19/29/568861929.db2.gz JNMBOIPAMVSKAX-UHFFFAOYSA-N 0 0 437.649 6.945 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2)cc1 ZINC000028064566 568864387 /nfs/dbraw/zinc/86/43/87/568864387.db2.gz UKKWIFMXKCDHBR-QFIPXVFZSA-N 0 0 431.586 6.544 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cc3ccccc3cc2O)c2ccccc2)c1 ZINC000016035371 568867812 /nfs/dbraw/zinc/86/78/12/568867812.db2.gz DXAZWVCJZUAHOK-VWLOTQADSA-N 0 0 439.467 5.285 50 0 IKAARN COc1cc(C(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)cc(OC)c1OC ZINC000575442848 568867826 /nfs/dbraw/zinc/86/78/26/568867826.db2.gz GGRYPDVBWHUBAK-UHFFFAOYSA-N 0 0 444.491 5.085 50 0 IKAARN Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000016035661 568867877 /nfs/dbraw/zinc/86/78/77/568867877.db2.gz BRQORNZSNPSHJC-UHFFFAOYSA-N 0 0 449.359 5.284 50 0 IKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=S)N1 ZINC000016043834 568868653 /nfs/dbraw/zinc/86/86/53/568868653.db2.gz YEIWVOZNQDZOHB-FQEVSTJZSA-N 0 0 441.915 5.171 50 0 IKAARN COC(=O)c1ccc2c(c1)nc(CN[C@@H](c1ccc(C3CCCCC3)cc1)C(C)C)[nH]c2=O ZINC000016046622 568868820 /nfs/dbraw/zinc/86/88/20/568868820.db2.gz CUZLZOIMKUUONN-RUZDIDTESA-N 0 0 447.579 5.657 50 0 IKAARN Cc1c(CCc2ccccn2)n2ccccc2c1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000006182642 568869993 /nfs/dbraw/zinc/86/99/93/568869993.db2.gz NDADBGMVOFMYQF-UHFFFAOYSA-N 0 0 432.523 6.451 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CCSc5ccccc54)cc3)o2)cc1 ZINC000012946047 568870930 /nfs/dbraw/zinc/87/09/30/568870930.db2.gz SCUVLPNJQCJOJT-OAQYLSRUSA-N 0 0 427.529 5.679 50 0 IKAARN O=C(NCc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012946856 568871230 /nfs/dbraw/zinc/87/12/30/568871230.db2.gz BHTGLGQUPZGDBX-UHFFFAOYSA-N 0 0 432.204 5.267 50 0 IKAARN Cc1cccc2c(=O)[nH]c(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)nc12 ZINC000012948912 568871570 /nfs/dbraw/zinc/87/15/70/568871570.db2.gz OKFHKBUEJPVYGD-UHFFFAOYSA-N 0 0 432.983 5.154 50 0 IKAARN CCc1ccc(C(=O)C[C@@H](c2cccc(Br)c2)N2CCc3ccccc3C2)cc1 ZINC000016161481 568872045 /nfs/dbraw/zinc/87/20/45/568872045.db2.gz DAFLAEGZNHSLOL-VWLOTQADSA-N 0 0 448.404 6.384 50 0 IKAARN CN(C1CCCCC1)S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000585152253 568872653 /nfs/dbraw/zinc/87/26/53/568872653.db2.gz HELYCYSLVMMWBD-UHFFFAOYSA-N 0 0 430.957 5.615 50 0 IKAARN CC(C)(C)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000585152279 568872898 /nfs/dbraw/zinc/87/28/98/568872898.db2.gz JNYPASGVNHFUAQ-GOSISDBHSA-N 0 0 434.323 5.326 50 0 IKAARN COc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000016227112 568873485 /nfs/dbraw/zinc/87/34/85/568873485.db2.gz LXEPQUAYPLKGCV-CAOOACKPSA-N 0 0 439.320 5.117 50 0 IKAARN Cc1cc(OCC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c(C(C)C)cc1Cl ZINC000016262190 568875043 /nfs/dbraw/zinc/87/50/43/568875043.db2.gz DEGWXJMFVRSMDN-QFIPXVFZSA-N 0 0 446.378 5.443 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000016262069 568875110 /nfs/dbraw/zinc/87/51/10/568875110.db2.gz XMQJEEYYYRCTIU-HSZRJFAPSA-N 0 0 431.923 5.172 50 0 IKAARN COc1cc(Cl)c(C)cc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000016268076 568875364 /nfs/dbraw/zinc/87/53/64/568875364.db2.gz ANNDIFKVQLYVPJ-UHFFFAOYSA-N 0 0 434.367 5.536 50 0 IKAARN COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3cccs3)o2)cs1 ZINC000026254952 568876004 /nfs/dbraw/zinc/87/60/04/568876004.db2.gz LRVXSTFAXWJIFK-UHFFFAOYSA-N 0 0 444.563 5.240 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)Nc1cccc2ccccc21 ZINC000006191305 568876468 /nfs/dbraw/zinc/87/64/68/568876468.db2.gz XBWWHUPWEBYHPD-UHFFFAOYSA-N 0 0 433.467 5.246 50 0 IKAARN CC(=O)Nc1ccc([C@@H]2CC(c3ccc(C4CCCCC4)cc3)=NN2c2ccccc2)cc1 ZINC000016321185 568876866 /nfs/dbraw/zinc/87/68/66/568876866.db2.gz MRINSJAVAPGYGP-LJAQVGFWSA-N 0 0 437.587 7.048 50 0 IKAARN CCOc1ccc(NC(=S)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1 ZINC000035351584 568880576 /nfs/dbraw/zinc/88/05/76/568880576.db2.gz RIBIVERWRHCNGV-UHFFFAOYSA-N 0 0 445.548 5.151 50 0 IKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000063957426 568880864 /nfs/dbraw/zinc/88/08/64/568880864.db2.gz AVLJTAKZPJHFSZ-UHFFFAOYSA-N 0 0 448.976 5.030 50 0 IKAARN O=C([O-])[C@@H]1CCC[N@H+](CCO[C@H](c2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000102198685 568880988 /nfs/dbraw/zinc/88/09/88/568880988.db2.gz JKIRRUZTMFSVDW-YLJYHZDGSA-N 0 0 441.877 5.261 50 0 IKAARN Cc1nn(CCNC(=O)c2c(C)onc2-c2ccccc2Cl)c(C)c1-c1ccsc1 ZINC000575614714 568881138 /nfs/dbraw/zinc/88/11/38/568881138.db2.gz CGXVBXGZCYAENT-UHFFFAOYSA-N 0 0 440.956 5.275 50 0 IKAARN CN(C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C1CCCCC1 ZINC000006287677 568881816 /nfs/dbraw/zinc/88/18/16/568881816.db2.gz ULCOPOWCCSMXSX-UHFFFAOYSA-N 0 0 448.535 5.693 50 0 IKAARN O=C(c1ccccc1Br)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000035478190 568882511 /nfs/dbraw/zinc/88/25/11/568882511.db2.gz OJBIMOZGLIWJTA-UHFFFAOYSA-N 0 0 446.732 5.172 50 0 IKAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478436 568882695 /nfs/dbraw/zinc/88/26/95/568882695.db2.gz IZACFPHSBYAXSL-CYBMUJFWSA-N 0 0 434.849 5.157 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478438 568882737 /nfs/dbraw/zinc/88/27/37/568882737.db2.gz PMCCPSMLAQUESP-ZDUSSCGKSA-N 0 0 434.849 5.157 50 0 IKAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478435 568882772 /nfs/dbraw/zinc/88/27/72/568882772.db2.gz IZACFPHSBYAXSL-ZDUSSCGKSA-N 0 0 434.849 5.157 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1F)N1CCCCC1 ZINC000035478601 568882828 /nfs/dbraw/zinc/88/28/28/568882828.db2.gz ACFAPZANSBPEDO-UHFFFAOYSA-N 0 0 446.295 5.645 50 0 IKAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000009562224 568883629 /nfs/dbraw/zinc/88/36/29/568883629.db2.gz RAORFUVZNIZRTJ-UHFFFAOYSA-N 0 0 427.403 6.112 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1 ZINC000009588949 568884119 /nfs/dbraw/zinc/88/41/19/568884119.db2.gz FRPXULTUYHMOJX-UHFFFAOYSA-N 0 0 436.320 5.093 50 0 IKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000009592469 568884155 /nfs/dbraw/zinc/88/41/55/568884155.db2.gz CCJMILFKAVXYNU-WTDSWWLTSA-N 0 0 448.737 5.901 50 0 IKAARN Cc1ccc([C@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000226968754 568885608 /nfs/dbraw/zinc/88/56/08/568885608.db2.gz YWKQZWIISXPLLT-IVBXSHCHSA-N 0 0 443.568 6.133 50 0 IKAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)c1 ZINC000090421065 568885906 /nfs/dbraw/zinc/88/59/06/568885906.db2.gz WYHLBWZQJDEXQL-UHFFFAOYSA-N 0 0 448.522 6.039 50 0 IKAARN COc1cc(NC(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc(OC)c1OC ZINC000090593320 568888955 /nfs/dbraw/zinc/88/89/55/568888955.db2.gz VINFHUNHCTZSSO-UHFFFAOYSA-N 0 0 447.944 5.119 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSCc2ccco2)CC1 ZINC000090608374 568891175 /nfs/dbraw/zinc/89/11/75/568891175.db2.gz OYHLHAFREAKMEG-UHFFFAOYSA-N 0 0 430.957 5.682 50 0 IKAARN O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cc(Br)ccc1Cl ZINC000090613659 568892433 /nfs/dbraw/zinc/89/24/33/568892433.db2.gz QHBFVLWBBHHRLG-INIZCTEOSA-N 0 0 442.787 5.237 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(C=Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)c2)cc1 ZINC000014022955 568892872 /nfs/dbraw/zinc/89/28/72/568892872.db2.gz JMSVTBQNJCMMKG-SDNWHVSQSA-N 0 0 441.556 5.595 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(F)cc2)cc1OC ZINC000013108010 568892952 /nfs/dbraw/zinc/89/29/52/568892952.db2.gz KBRBEQBHSOSTKL-OQLLNIDSSA-N 0 0 443.478 5.348 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012980767 568893748 /nfs/dbraw/zinc/89/37/48/568893748.db2.gz OZNAXPSWDFVRPC-YVEFUNNKSA-N 0 0 442.928 5.052 50 0 IKAARN Cc1noc(CSc2ccccc2C(=O)NCc2ccc(-c3csc(C)n3)cc2)n1 ZINC000012986890 568894996 /nfs/dbraw/zinc/89/49/96/568894996.db2.gz RKJPWIBDCMTCOM-UHFFFAOYSA-N 0 0 436.562 5.032 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012986680 568895080 /nfs/dbraw/zinc/89/50/80/568895080.db2.gz KOQNYZLQDJUGAU-UHFFFAOYSA-N 0 0 437.971 5.544 50 0 IKAARN CC(C)c1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccccn3)NC2=S)cc1 ZINC000024841981 568895525 /nfs/dbraw/zinc/89/55/25/568895525.db2.gz UMZGSRRVUZJJSH-PXLXIMEGSA-N 0 0 429.545 5.046 50 0 IKAARN Clc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000034258884 568896000 /nfs/dbraw/zinc/89/60/00/568896000.db2.gz AMGADLQGZRNVQK-MHCOWZRKSA-N 0 0 433.382 7.794 50 0 IKAARN O=C(Nc1ccc(F)cc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1cccs1 ZINC000033342597 568896120 /nfs/dbraw/zinc/89/61/20/568896120.db2.gz NSYAGTDUPMEQEC-ATVHPVEESA-N 0 0 445.313 5.059 50 0 IKAARN Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(C)(C)C)cc1 ZINC000033413477 568896132 /nfs/dbraw/zinc/89/61/32/568896132.db2.gz ODRPFMPSCGWPON-CYVLTUHYSA-N 0 0 428.532 5.102 50 0 IKAARN O=C(COC(=O)c1c2c(nc3ccccc31)C(=Cc1cccs1)CC2)c1ccc(F)cc1 ZINC000034780008 568896321 /nfs/dbraw/zinc/89/63/21/568896321.db2.gz FKGLCASZUXJICP-VKAVYKQESA-N 0 0 443.499 5.962 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc(OC)c1 ZINC000012993280 568897036 /nfs/dbraw/zinc/89/70/36/568897036.db2.gz YZYWRRFOQDLTBO-UHFFFAOYSA-N 0 0 427.298 5.089 50 0 IKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000035671471 568897306 /nfs/dbraw/zinc/89/73/06/568897306.db2.gz IRGQZADGGSBOEJ-UHFFFAOYSA-N 0 0 442.953 5.700 50 0 IKAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1S[C@@H](C)c1nc(C(C)C)no1 ZINC000013009070 568899716 /nfs/dbraw/zinc/89/97/16/568899716.db2.gz GFMCHSLIJMVAER-HNNXBMFYSA-N 0 0 436.537 5.144 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CN=c3[nH]c4ccccc4s3)C2=O)c(C)c1 ZINC000102607529 568900159 /nfs/dbraw/zinc/90/01/59/568900159.db2.gz BNVWXXHTXFDFQH-XMHGGMMESA-N 0 0 425.513 5.553 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1C ZINC000103004893 568900519 /nfs/dbraw/zinc/90/05/19/568900519.db2.gz MNVWAOSPRHJJBP-LPYMAVHISA-N 0 0 437.326 6.250 50 0 IKAARN COc1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1Cl ZINC000103004414 568900570 /nfs/dbraw/zinc/90/05/70/568900570.db2.gz VBXWYDPKTYMJHQ-CPNJWEJPSA-N 0 0 439.298 5.642 50 0 IKAARN O=C1c2ccccc2C(=CNc2cccc3c2CCCC3)C(=O)N1c1cccc(Cl)c1 ZINC000103004510 568900579 /nfs/dbraw/zinc/90/05/79/568900579.db2.gz WEVTVVPFKULTDW-XQNSMLJCSA-N 0 0 428.919 5.859 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1Cl ZINC000102994698 568900639 /nfs/dbraw/zinc/90/06/39/568900639.db2.gz LTFLGFDAWNQHEN-FOWTUZBSSA-N 0 0 443.717 6.287 50 0 IKAARN Cc1cccc(NC(=O)NCCCN(C(=O)Nc2ccccc2F)c2ccc(F)cc2)c1 ZINC000016428442 568900727 /nfs/dbraw/zinc/90/07/27/568900727.db2.gz MFKLSYUZMIAFQR-UHFFFAOYSA-N 0 0 438.478 5.524 50 0 IKAARN O=c1c(Cl)c(Nc2ccc(Br)cc2)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000016428713 568900891 /nfs/dbraw/zinc/90/08/91/568900891.db2.gz UQUXISIXOZXNDR-UHFFFAOYSA-N 0 0 434.765 5.328 50 0 IKAARN COC(=O)c1ccc(CN(C)Cn2nc(Nc3ccc(C)c(Cl)c3)sc2=S)cc1 ZINC000013017888 568901885 /nfs/dbraw/zinc/90/18/85/568901885.db2.gz BMZZASGDAFOEMQ-UHFFFAOYSA-N 0 0 449.001 5.256 50 0 IKAARN CC[C@H](C)c1ccc([C@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000013022392 568902204 /nfs/dbraw/zinc/90/22/04/568902204.db2.gz GKHIMJVZGKSSLM-QYBDOPJKSA-N 0 0 445.588 5.267 50 0 IKAARN CC[C@@H](C)c1ccc([C@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000013022390 568902244 /nfs/dbraw/zinc/90/22/44/568902244.db2.gz GKHIMJVZGKSSLM-DWXRJYCRSA-N 0 0 445.588 5.267 50 0 IKAARN CC[C@H](C)c1ccc([C@@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000013022388 568902276 /nfs/dbraw/zinc/90/22/76/568902276.db2.gz GKHIMJVZGKSSLM-HFJWLAOPSA-N 0 0 445.588 5.267 50 0 IKAARN S=c1[nH]c2ccccc2n1-c1cc(-c2ccc(Br)cc2)nn1-c1ccccc1 ZINC000013026610 568902522 /nfs/dbraw/zinc/90/25/22/568902522.db2.gz WMJYIPRUYAMUPJ-UHFFFAOYSA-N 0 0 447.361 6.303 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 ZINC000001747440 568904137 /nfs/dbraw/zinc/90/41/37/568904137.db2.gz BRQPEWKSOXQHBT-MRXNPFEDSA-N 0 0 435.545 5.344 50 0 IKAARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1OC ZINC000001746696 568904148 /nfs/dbraw/zinc/90/41/48/568904148.db2.gz ZQLIRKHOPMIJPK-FCHUYYIVSA-N 0 0 426.310 5.697 50 0 IKAARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1OC ZINC000001746690 568904214 /nfs/dbraw/zinc/90/42/14/568904214.db2.gz ZQLIRKHOPMIJPK-FGZHOGPDSA-N 0 0 426.310 5.697 50 0 IKAARN CC1(C)Cc2c(sc3nc(Cc4ccccc4)nc(SCc4ccccc4)c23)CO1 ZINC000001749046 568904602 /nfs/dbraw/zinc/90/46/02/568904602.db2.gz XFYHLWXINBKKEX-UHFFFAOYSA-N 0 0 432.614 6.426 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000001751004 568904607 /nfs/dbraw/zinc/90/46/07/568904607.db2.gz QWJOUKRYQSRWNO-JXMROGBWSA-N 0 0 433.758 5.802 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OCc3ccc(C)cc3)cc2oc1C(F)(F)F ZINC000001769149 568905936 /nfs/dbraw/zinc/90/59/36/568905936.db2.gz IXECGVXTHJWDQN-UHFFFAOYSA-N 0 0 440.417 6.375 50 0 IKAARN 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]3CC[C@@]2(O)C1 ZINC000039942101 568905951 /nfs/dbraw/zinc/90/59/51/568905951.db2.gz XGBHFLNWQIPOQW-DCBZRRPVSA-N 0 0 446.716 7.154 50 0 IKAARN COc1ccccc1-c1coc2cc(OCc3ccc(Br)cc3)ccc2c1=O ZINC000001769146 568905967 /nfs/dbraw/zinc/90/59/67/568905967.db2.gz IPKYJOSKFIVDQK-UHFFFAOYSA-N 0 0 437.289 5.810 50 0 biogenic IKAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770955 568906039 /nfs/dbraw/zinc/90/60/39/568906039.db2.gz POSUERSDQOZQBN-LLVKDONJSA-N 0 0 440.801 5.463 50 0 IKAARN CCCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770258 568906062 /nfs/dbraw/zinc/90/60/62/568906062.db2.gz NZSWONLZXVZPIE-UHFFFAOYSA-N 0 0 440.801 5.464 50 0 IKAARN FC(F)(F)c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000001773023 568906170 /nfs/dbraw/zinc/90/61/70/568906170.db2.gz BHKWKEJCLRWIDE-UHFFFAOYSA-N 0 0 434.248 7.366 50 0 IKAARN Cc1c(Cl)cccc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000001774329 568906307 /nfs/dbraw/zinc/90/63/07/568906307.db2.gz WPSYVZVZMWBRSZ-INIZCTEOSA-N 0 0 433.766 6.536 50 0 IKAARN CCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775133 568906400 /nfs/dbraw/zinc/90/64/00/568906400.db2.gz KSBFRANPTVINTI-HNNXBMFYSA-N 0 0 430.884 5.576 50 0 IKAARN Cc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1Cl ZINC000001774333 568906405 /nfs/dbraw/zinc/90/64/05/568906405.db2.gz DYFNXBOWOPNPLG-QGZVFWFLSA-N 0 0 433.766 6.536 50 0 IKAARN CCc1ccc(Oc2coc3cc(O[C@H](C)C(=O)OC4CCCCC4)ccc3c2=O)cc1 ZINC000001775146 568906491 /nfs/dbraw/zinc/90/64/91/568906491.db2.gz PUVOEIPXOQGAIA-QGZVFWFLSA-N 0 0 436.504 5.791 50 0 IKAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000001775636 568906534 /nfs/dbraw/zinc/90/65/34/568906534.db2.gz KZRNEHNSRBAYRB-UHFFFAOYSA-N 0 0 432.398 5.351 50 0 IKAARN CCc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 ZINC000001775148 568906602 /nfs/dbraw/zinc/90/66/02/568906602.db2.gz HZXYSPSVEWZFEP-UHFFFAOYSA-N 0 0 441.310 7.034 50 0 IKAARN CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001778645 568906703 /nfs/dbraw/zinc/90/67/03/568906703.db2.gz RZLAFJGGIGEOCJ-UHFFFAOYSA-N 0 0 429.225 6.481 50 0 IKAARN Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)OCc4ccccc4Cl)c(=O)c23)cc1 ZINC000001778436 568906775 /nfs/dbraw/zinc/90/67/75/568906775.db2.gz RIDCLXOZBWYZGL-HNNXBMFYSA-N 0 0 438.936 5.391 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000016468024 568907066 /nfs/dbraw/zinc/90/70/66/568907066.db2.gz ROWONBQHXAMXFR-UHFFFAOYSA-N 0 0 427.928 5.460 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 ZINC000001782024 568907122 /nfs/dbraw/zinc/90/71/22/568907122.db2.gz AAKXOHAJJPXZFQ-UHFFFAOYSA-N 0 0 430.664 6.216 50 0 IKAARN CCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(Oc4ccccc4)cc32)cc1 ZINC000001783102 568907317 /nfs/dbraw/zinc/90/73/17/568907317.db2.gz BGVRKTPGAOLZAA-UHFFFAOYSA-N 0 0 442.515 6.736 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O ZINC000001784875 568907483 /nfs/dbraw/zinc/90/74/83/568907483.db2.gz FQUGBUJFNHDOHP-UHFFFAOYSA-N 0 0 446.576 5.406 50 0 IKAARN CC(C)c1ccc(Cn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)cc1 ZINC000001787572 568907682 /nfs/dbraw/zinc/90/76/82/568907682.db2.gz WQVNRIYRSQSHCC-UHFFFAOYSA-N 0 0 439.378 6.059 50 0 IKAARN C[C@H](Oc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC000001791351 568907952 /nfs/dbraw/zinc/90/79/52/568907952.db2.gz ISAOOOUZRQNSPE-INIZCTEOSA-N 0 0 434.875 5.624 50 0 IKAARN COc1ccc([C@H](Sc2ccc(Cl)cc2)[C@H]2CCc3ccccc3C2=O)cc1OC ZINC000001798838 568908388 /nfs/dbraw/zinc/90/83/88/568908388.db2.gz OSDNTUDUPKOALG-OFVILXPXSA-N 0 0 438.976 6.636 50 0 IKAARN c1c(-c2ccccc2)sc2nc(-c3ccccc3)nc(NCc3ccc4c(c3)OCO4)c12 ZINC000001802734 568908463 /nfs/dbraw/zinc/90/84/63/568908463.db2.gz NPTGBWFSAHZMSI-UHFFFAOYSA-N 0 0 437.524 6.366 50 0 IKAARN Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000001806525 568908667 /nfs/dbraw/zinc/90/86/67/568908667.db2.gz XWXLWNOWOUXONW-UHFFFAOYSA-N 0 0 434.948 5.946 50 0 IKAARN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001807462 568908940 /nfs/dbraw/zinc/90/89/40/568908940.db2.gz GMEKRXWPBKMQST-UHFFFAOYSA-N 0 0 432.447 6.241 50 0 IKAARN O=C1N=C(Nc2ccccc2)NC1=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000006457395 568908969 /nfs/dbraw/zinc/90/89/69/568908969.db2.gz NYIMWDWEKSPBAR-MTJSOVHGSA-N 0 0 438.314 5.511 50 0 IKAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O ZINC000137836071 568909246 /nfs/dbraw/zinc/90/92/46/568909246.db2.gz LNTRJTHXPKASLK-CCDWMCETSA-N 0 0 440.543 5.344 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577104 568909637 /nfs/dbraw/zinc/90/96/37/568909637.db2.gz KPXCDYNSCDFYFE-RSXGOPAZSA-N 0 0 445.349 7.389 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc(-c3ccc(Cl)cc3)cc12 ZINC000025576106 568909677 /nfs/dbraw/zinc/90/96/77/568909677.db2.gz RRWCYHWHJIUFED-UHFFFAOYSA-N 0 0 439.298 5.716 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1OC ZINC000025576845 568909724 /nfs/dbraw/zinc/90/97/24/568909724.db2.gz GTXCIKPYPKUARR-YWEHKCAJSA-N 0 0 436.511 6.099 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000025577524 568909907 /nfs/dbraw/zinc/90/99/07/568909907.db2.gz WHRLBIAQBSSTIG-AZGAKELHSA-N 0 0 445.349 7.389 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)[C@H]1C ZINC000105450909 568910083 /nfs/dbraw/zinc/91/00/83/568910083.db2.gz RIRWKPPHAPJVAF-MOHLYMNHSA-N 0 0 438.955 5.047 50 0 IKAARN Cc1ccc(C(C)C)c(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001815302 568915233 /nfs/dbraw/zinc/91/52/33/568915233.db2.gz ZRIWLYAEHSYKDS-UHFFFAOYSA-N 0 0 446.978 6.618 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000001811323 568915568 /nfs/dbraw/zinc/91/55/68/568915568.db2.gz QLZOZCPXJRIUTM-UHFFFAOYSA-N 0 0 431.460 5.754 50 0 IKAARN Cc1ccc(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000001822607 568915648 /nfs/dbraw/zinc/91/56/48/568915648.db2.gz BNCPQXHBEGJYDK-UHFFFAOYSA-N 0 0 446.978 6.583 50 0 IKAARN CCCCOc1ccc(-c2nc(-c3cccc(I)c3)cc(=O)o2)cc1 ZINC000001820162 568915651 /nfs/dbraw/zinc/91/56/51/568915651.db2.gz CDVWHZFQNDPIHA-UHFFFAOYSA-N 0 0 447.272 5.152 50 0 IKAARN Cc1cc(C)c(C)c(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001820189 568915680 /nfs/dbraw/zinc/91/56/80/568915680.db2.gz GPMHTDIAAZFWNP-UHFFFAOYSA-N 0 0 446.978 6.501 50 0 IKAARN Clc1ccc(-n2ncc3c2ncnc3N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001818463 568915685 /nfs/dbraw/zinc/91/56/85/568915685.db2.gz PEQBKTBMLIKEPK-UHFFFAOYSA-N 0 0 425.923 5.676 50 0 IKAARN Cc1ccc(Cl)c(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001828554 568915779 /nfs/dbraw/zinc/91/57/79/568915779.db2.gz DILFAIIJPFJSMD-UHFFFAOYSA-N 0 0 439.342 6.148 50 0 IKAARN CCCc1nc2sc3c(ncnc3SC/C=C(/C)Br)c2c2c1CCCC2 ZINC000001824884 568915792 /nfs/dbraw/zinc/91/57/92/568915792.db2.gz RSIMSGDWFLIAPC-XFXZXTDPSA-N 0 0 448.455 6.462 50 0 IKAARN Cc1cccc(Cl)c1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001825357 568915801 /nfs/dbraw/zinc/91/58/01/568915801.db2.gz NWABFGXZWOLHKK-UHFFFAOYSA-N 0 0 439.342 6.148 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@](C)(CC)OC3 ZINC000001820671 568915827 /nfs/dbraw/zinc/91/58/27/568915827.db2.gz USPKZEWIVHWMFQ-QFIPXVFZSA-N 0 0 430.595 5.199 50 0 IKAARN CC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 ZINC000001828662 568915875 /nfs/dbraw/zinc/91/58/75/568915875.db2.gz FRRDSVNYKUBDHH-HHHXNRCGSA-N 0 0 425.613 6.439 50 0 biogenic IKAARN Cc1nc2c3cc4c(nc3sc2c(N[C@H](C)CCc2ccccc2)n1)CC(C)(C)OC4 ZINC000001833071 568916030 /nfs/dbraw/zinc/91/60/30/568916030.db2.gz JVFYHIQNPIFKMT-OAHLLOKOSA-N 0 0 432.593 5.832 50 0 IKAARN Cc1cc(C)cc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001834455 568916093 /nfs/dbraw/zinc/91/60/93/568916093.db2.gz BLTHUQUPFNIYJO-UHFFFAOYSA-N 0 0 432.951 6.193 50 0 IKAARN CC(C)CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001835596 568916120 /nfs/dbraw/zinc/91/61/20/568916120.db2.gz FQAMJPYETWOKCR-UHFFFAOYSA-N 0 0 444.644 6.796 50 0 biogenic IKAARN Cc1ccc(NC2=C[C@@H](c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001834988 568916197 /nfs/dbraw/zinc/91/61/97/568916197.db2.gz JWNYJCDELWBNQD-QHCPKHFHSA-N 0 0 433.349 6.150 50 0 IKAARN Cc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1C ZINC000001832694 568916228 /nfs/dbraw/zinc/91/62/28/568916228.db2.gz ANRHJKCRNJDKKH-UHFFFAOYSA-N 0 0 427.481 5.906 50 0 biogenic IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1C ZINC000001839033 568916330 /nfs/dbraw/zinc/91/63/30/568916330.db2.gz KFQSYYSCHGLDBI-UHFFFAOYSA-N 0 0 435.515 5.439 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000001838963 568916429 /nfs/dbraw/zinc/91/64/29/568916429.db2.gz GLAFHZKTSVIPOZ-UHFFFAOYSA-N 0 0 443.502 6.609 50 0 IKAARN CC[C@@H](C)[C@H](N)C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000026772128 568916593 /nfs/dbraw/zinc/91/65/93/568916593.db2.gz FRDOVDLKLQQWCJ-WYRIXSBYSA-N 0 0 436.291 5.171 50 0 IKAARN O=S(=O)(/C=C/c1ccccc1)N(Cc1coc(-c2cccc(F)c2)n1)Cc1ccco1 ZINC000026777379 568916646 /nfs/dbraw/zinc/91/66/46/568916646.db2.gz IQGOTYIZNXRDDK-ACCUITESSA-N 0 0 438.480 5.077 50 0 IKAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1csc(-c2ccccc2)n1 ZINC000026794609 568916802 /nfs/dbraw/zinc/91/68/02/568916802.db2.gz PVQBTGNPZQVSDS-UHFFFAOYSA-N 0 0 448.548 5.184 50 0 IKAARN Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCCC4)n1 ZINC000001875700 568917296 /nfs/dbraw/zinc/91/72/96/568917296.db2.gz HFILRFKPBRIDPO-UHFFFAOYSA-N 0 0 426.489 5.183 50 0 IKAARN Cc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(Cl)c1 ZINC000001875226 568917307 /nfs/dbraw/zinc/91/73/07/568917307.db2.gz BKKWYLSLZRCCOC-UHFFFAOYSA-N 0 0 425.315 5.758 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(Br)c1 ZINC000001885767 568917417 /nfs/dbraw/zinc/91/74/17/568917417.db2.gz JPSPLMWEBPAKMB-UHFFFAOYSA-N 0 0 428.138 6.132 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Oc2ccc(-c3ccccc3)cc2)n1 ZINC000001889200 568917558 /nfs/dbraw/zinc/91/75/58/568917558.db2.gz PSERNMKUBKYKTO-UHFFFAOYSA-N 0 0 426.825 7.275 50 0 IKAARN O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000001889722 568917683 /nfs/dbraw/zinc/91/76/83/568917683.db2.gz BZKPANGWTSPLCB-VOTSOKGWSA-N 0 0 434.322 7.676 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 ZINC000001897314 568918064 /nfs/dbraw/zinc/91/80/64/568918064.db2.gz PGYDMCASXVERJN-OAHLLOKOSA-N 0 0 428.561 6.016 50 0 IKAARN O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccccc2)C1 ZINC000016492430 568918229 /nfs/dbraw/zinc/91/82/29/568918229.db2.gz KSKWHTQHWZDQNU-FQEVSTJZSA-N 0 0 444.332 5.396 50 0 IKAARN Cc1c(Cl)c(=O)oc2cc(OCc3ccc(F)cc3)cc(OCc3ccc(F)cc3)c12 ZINC000001902812 568918643 /nfs/dbraw/zinc/91/86/43/568918643.db2.gz HAPRFFKCRQHWFB-UHFFFAOYSA-N 0 0 442.845 6.191 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3cccc(C(F)(F)F)c3)cc2o1 ZINC000001902801 568918671 /nfs/dbraw/zinc/91/86/71/568918671.db2.gz VSNKACNALIVRBK-UHFFFAOYSA-N 0 0 430.809 6.711 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccc(C(=O)OC)o1)oc(=O)c1c2CCCC1 ZINC000001902718 568918673 /nfs/dbraw/zinc/91/86/73/568918673.db2.gz ZYZOXSFQTALFOF-UHFFFAOYSA-N 0 0 438.520 5.753 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(C)cc3C)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000001903458 568919311 /nfs/dbraw/zinc/91/93/11/568919311.db2.gz QSPYHPODMVGFEL-UHFFFAOYSA-N 0 0 448.613 5.854 50 0 IKAARN Cc1cc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)ccc1Cl ZINC000001904338 568919484 /nfs/dbraw/zinc/91/94/84/568919484.db2.gz MKARQFAZIJLTKL-UHFFFAOYSA-N 0 0 439.342 6.148 50 0 IKAARN COC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1Cl)c2=O ZINC000001904879 568919516 /nfs/dbraw/zinc/91/95/16/568919516.db2.gz SHSCORBZRCTJEH-SNVBAGLBSA-N 0 0 426.774 5.073 50 0 IKAARN COC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1Cl)c2=O ZINC000001904877 568919524 /nfs/dbraw/zinc/91/95/24/568919524.db2.gz SHSCORBZRCTJEH-JTQLQIEISA-N 0 0 426.774 5.073 50 0 IKAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006472302 568919884 /nfs/dbraw/zinc/91/98/84/568919884.db2.gz ZQDZBEBYUVKNMY-NRFANRHFSA-N 0 0 438.877 5.682 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(Cl)cc2)c1 ZINC000089365471 568921281 /nfs/dbraw/zinc/92/12/81/568921281.db2.gz ZJZYEWSHPDPNST-UHFFFAOYSA-N 0 0 436.316 5.038 50 0 IKAARN CC(C)CCOc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1 ZINC000016575179 568922322 /nfs/dbraw/zinc/92/23/22/568922322.db2.gz HUZGHPCXXKWWBZ-UHFFFAOYSA-N 0 0 434.927 5.751 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OCc3ccccc3F)cc2oc1C(F)(F)F ZINC000001915174 568922437 /nfs/dbraw/zinc/92/24/37/568922437.db2.gz PSFYGRBPNCLRPD-UHFFFAOYSA-N 0 0 444.380 6.206 50 0 IKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1Cl)c2=O ZINC000001913159 568922454 /nfs/dbraw/zinc/92/24/54/568922454.db2.gz JTPJXFDGXHPITH-UHFFFAOYSA-N 0 0 428.746 5.793 50 0 IKAARN CCc1ccc(Oc2c(=O)c3ccc(OC(=O)CC(C)(C)C)cc3oc2C(F)(F)F)cc1 ZINC000001913199 568922521 /nfs/dbraw/zinc/92/25/21/568922521.db2.gz AMEYSBWQJQHAAR-UHFFFAOYSA-N 0 0 448.437 6.508 50 0 IKAARN Cc1sc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)nc1-c1ccccc1 ZINC000001916393 568922725 /nfs/dbraw/zinc/92/27/25/568922725.db2.gz ZDNAAMAXDLKBSO-UHFFFAOYSA-N 0 0 436.621 6.850 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3cccc(F)c3)cc2)c1 ZINC000035793773 568923033 /nfs/dbraw/zinc/92/30/33/568923033.db2.gz FPTDMPORKBBTMB-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)Nc3cccc(OC)c3)cc2)n1 ZINC000035794486 568923140 /nfs/dbraw/zinc/92/31/40/568923140.db2.gz VDYBCJVKDSYXCP-UHFFFAOYSA-N 0 0 443.507 5.294 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(=O)NC2CCCCC2)C1 ZINC000006489412 568923187 /nfs/dbraw/zinc/92/31/87/568923187.db2.gz IKQVGOMEZVXHBD-MRXNPFEDSA-N 0 0 428.598 5.788 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000001940187 568923502 /nfs/dbraw/zinc/92/35/02/568923502.db2.gz BLTUVYVJIKVEEK-UHFFFAOYSA-N 0 0 429.469 5.000 50 0 IKAARN O=c1c2ccc(OCc3c(Cl)cccc3Cl)cc2occ1-c1ccc(Cl)cc1 ZINC000001940850 568923695 /nfs/dbraw/zinc/92/36/95/568923695.db2.gz IXMFVIAZYCSXQW-UHFFFAOYSA-N 0 0 431.702 6.999 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)/C=C/c3ccccc3)cc21 ZINC000001952398 568923775 /nfs/dbraw/zinc/92/37/75/568923775.db2.gz XFDGMHVHHUKQDX-SAPNQHFASA-N 0 0 425.484 5.734 50 0 IKAARN O=c1c2ccc(OCc3ccc(F)cc3)cc2oc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000001959218 568923951 /nfs/dbraw/zinc/92/39/51/568923951.db2.gz BDWFSYNKNBGSBX-UHFFFAOYSA-N 0 0 448.799 6.850 50 0 IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001962739 568924004 /nfs/dbraw/zinc/92/40/04/568924004.db2.gz HOOMRVBTPPZCIB-UHFFFAOYSA-N 0 0 440.282 5.784 50 0 biogenic IKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001966399 568924045 /nfs/dbraw/zinc/92/40/45/568924045.db2.gz UCFTYKIDKNABKX-UHFFFAOYSA-N 0 0 437.561 6.150 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856811 568924545 /nfs/dbraw/zinc/92/45/45/568924545.db2.gz JZJXLQRTVTVFDE-JYFHCDHNSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN COc1ccc(CN(CC[C@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856813 568924554 /nfs/dbraw/zinc/92/45/54/568924554.db2.gz JZJXLQRTVTVFDE-ZEQKJWHPSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN COc1ccc(CN(CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856807 568924586 /nfs/dbraw/zinc/92/45/86/568924586.db2.gz FKKMHJUUPABHDA-UPVQGACJSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN COc1cc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc(OC)c1OC ZINC000001122299 568924598 /nfs/dbraw/zinc/92/45/98/568924598.db2.gz AYPHZWUPUBKPJR-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 biogenic IKAARN COc1ccc(CN(CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856806 568924642 /nfs/dbraw/zinc/92/46/42/568924642.db2.gz FKKMHJUUPABHDA-LADGPHEKSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC(C)C)cc1 ZINC000001072557 568924647 /nfs/dbraw/zinc/92/46/47/568924647.db2.gz WYFYOKFRFYBPND-XMMPIXPASA-N 0 0 435.564 6.036 50 0 biogenic IKAARN O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000001994241 568924770 /nfs/dbraw/zinc/92/47/70/568924770.db2.gz VCCCKUHNHRVVRF-JLHYYAGUSA-N 0 0 440.724 5.985 50 0 IKAARN COc1cc(COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)cc(OC)c1OC ZINC000001156112 568924815 /nfs/dbraw/zinc/92/48/15/568924815.db2.gz FIJLMMQZVMDZTF-UHFFFAOYSA-N 0 0 432.472 5.373 50 0 biogenic IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000001904770 568924940 /nfs/dbraw/zinc/92/49/40/568924940.db2.gz APLUIAUBYFDSEF-UHFFFAOYSA-N 0 0 439.389 5.496 50 0 biogenic IKAARN COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@H](C(Cl)(Cl)Cl)O2)c(OC)c1 ZINC000002066515 568924994 /nfs/dbraw/zinc/92/49/94/568924994.db2.gz IFKZVLAQFBAJFZ-LJQANCHMSA-N 0 0 445.726 5.661 50 0 biogenic IKAARN Cc1ccc(Nc2nc(N=NCc3ccccc3F)nc(Nc3ccccc3)n2)c(C)c1 ZINC000252591317 568925221 /nfs/dbraw/zinc/92/52/21/568925221.db2.gz AZIWDYOLMYQGCY-UHFFFAOYSA-N 0 0 427.487 5.561 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004027883 568926099 /nfs/dbraw/zinc/92/60/99/568926099.db2.gz DOVLLBJUFCRBLE-MUUNZHRXSA-N 0 0 437.624 6.130 50 0 biogenic IKAARN Cc1ccc(Nc2nc(N=NCc3cccc(Cl)c3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000252606385 568926150 /nfs/dbraw/zinc/92/61/50/568926150.db2.gz GSSLNDXEZWQVBM-UHFFFAOYSA-N 0 0 443.942 6.075 50 0 IKAARN COC(=O)c1c2ccccc2oc(=O)c1[C@H](CC(C)=NNc1ccccc1)c1ccccc1 ZINC000252640579 568926773 /nfs/dbraw/zinc/92/67/73/568926773.db2.gz YUVSMQAOPXBIMJ-JOCHJYFZSA-N 0 0 440.499 5.590 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000035836023 568928007 /nfs/dbraw/zinc/92/80/07/568928007.db2.gz NNZAYLWOFXDOEO-JOCHJYFZSA-N 0 0 429.520 5.231 50 0 IKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccccc5Br)n3n2)CCCC4)cc1 ZINC000064449951 568928964 /nfs/dbraw/zinc/92/89/64/568928964.db2.gz RMPWJCPEOMIJEW-UHFFFAOYSA-N 0 0 448.368 5.408 50 0 IKAARN O=C(Nc1ccccc1Cl)N1CCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450155 568929025 /nfs/dbraw/zinc/92/90/25/568929025.db2.gz IPBMRZWOHWISQR-UHFFFAOYSA-N 0 0 440.334 5.148 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000064450116 568929045 /nfs/dbraw/zinc/92/90/45/568929045.db2.gz ZKBFTMRHNITAMD-UHFFFAOYSA-N 0 0 447.970 5.502 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450154 568929067 /nfs/dbraw/zinc/92/90/67/568929067.db2.gz GURZMFNCJFUZGV-UHFFFAOYSA-N 0 0 440.334 5.148 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)c(C)c1 ZINC000064470601 568929595 /nfs/dbraw/zinc/92/95/95/568929595.db2.gz WJZCKDMEFBKINR-UHFFFAOYSA-N 0 0 442.357 5.819 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2c1 ZINC000006523111 568929726 /nfs/dbraw/zinc/92/97/26/568929726.db2.gz MIQWJXJGTXMVNG-HJOCRKTISA-N 0 0 426.553 5.499 50 0 IKAARN COc1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c(OC)c1 ZINC000064472733 568929868 /nfs/dbraw/zinc/92/98/68/568929868.db2.gz JDOPQGAPSBPKJO-UHFFFAOYSA-N 0 0 438.936 6.129 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000064472560 568929957 /nfs/dbraw/zinc/92/99/57/568929957.db2.gz DBJWLNWIBAKPRZ-UHFFFAOYSA-N 0 0 430.529 5.943 50 0 IKAARN CCOC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc32)cc1 ZINC000064474035 568930010 /nfs/dbraw/zinc/93/00/10/568930010.db2.gz CGMVRZZSXKNWQR-UHFFFAOYSA-N 0 0 447.535 5.036 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472588 568930019 /nfs/dbraw/zinc/93/00/19/568930019.db2.gz GSFNARQMPNHRCF-UHFFFAOYSA-N 0 0 436.964 6.737 50 0 IKAARN COc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c(OC)c1 ZINC000064472614 568930044 /nfs/dbraw/zinc/93/00/44/568930044.db2.gz XHTSFIDHSSAVQZ-UHFFFAOYSA-N 0 0 432.545 5.461 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c1 ZINC000064472508 568930089 /nfs/dbraw/zinc/93/00/89/568930089.db2.gz GLUAWCFWGGPDTQ-UHFFFAOYSA-N 0 0 430.529 5.943 50 0 IKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(C(C)C)cc3)c2cc1OC ZINC000064474061 568930149 /nfs/dbraw/zinc/93/01/49/568930149.db2.gz LOZSFEDTMSYDLM-UHFFFAOYSA-N 0 0 433.552 5.745 50 0 IKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3cccc(Cl)c3)c2cc1OC ZINC000064474043 568930205 /nfs/dbraw/zinc/93/02/05/568930205.db2.gz ODOPYWGFKJKLGA-UHFFFAOYSA-N 0 0 425.916 5.275 50 0 IKAARN CCc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3cc(OC)c(OC)cc32)cc1 ZINC000064474096 568930246 /nfs/dbraw/zinc/93/02/46/568930246.db2.gz AQLONDQGIGUQCE-UHFFFAOYSA-N 0 0 433.552 5.430 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473210 568930362 /nfs/dbraw/zinc/93/03/62/568930362.db2.gz AIWMRWHLSKPNFH-UHFFFAOYSA-N 0 0 433.943 5.194 50 0 IKAARN CCc1ccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1 ZINC000064473274 568930424 /nfs/dbraw/zinc/93/04/24/568930424.db2.gz FCYZTQWYNZVGLC-UHFFFAOYSA-N 0 0 447.970 5.448 50 0 IKAARN CC[C@@H](C)OC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O[C@H](C)CC)cc3)cc2)cc1 ZINC000002023012 568930691 /nfs/dbraw/zinc/93/06/91/568930691.db2.gz ZHDLGBRRNPINJX-WOJBJXKFSA-N 0 0 430.544 6.931 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(C)c4)nc(C)c3C(C)C)CC2)cc1 ZINC000035890717 568930928 /nfs/dbraw/zinc/93/09/28/568930928.db2.gz QKPUYLZOSVFTAG-UHFFFAOYSA-N 0 0 443.595 5.546 50 0 IKAARN Cc1cccc(NC(=O)N2CCN(c3nc(-c4cccc(C)c4)nc(C)c3C(C)C)CC2)c1 ZINC000035890715 568930952 /nfs/dbraw/zinc/93/09/52/568930952.db2.gz TXLSLFSVIGZMAR-UHFFFAOYSA-N 0 0 443.595 5.546 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000035928539 568931628 /nfs/dbraw/zinc/93/16/28/568931628.db2.gz RFHPWONMNVAKAO-WVKUQPHVSA-N 0 0 443.572 5.183 50 0 IKAARN CC(C)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000064557960 568931847 /nfs/dbraw/zinc/93/18/47/568931847.db2.gz SOXBCSYQXMRUDT-JOCHJYFZSA-N 0 0 433.529 5.141 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)sc2c1 ZINC000002026617 568931950 /nfs/dbraw/zinc/93/19/50/568931950.db2.gz YJSRHKFUJBBLAT-UHFFFAOYSA-N 0 0 430.554 6.226 50 0 IKAARN CC(C)NC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000035945161 568932507 /nfs/dbraw/zinc/93/25/07/568932507.db2.gz UZCNHVZYJNGORY-SFHVURJKSA-N 0 0 442.579 5.109 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCc3ccccc3C)cc2)ncn1 ZINC000064568565 568933656 /nfs/dbraw/zinc/93/36/56/568933656.db2.gz FIYSESYMTNVWGV-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 ZINC000064567895 568933760 /nfs/dbraw/zinc/93/37/60/568933760.db2.gz YSHBQUKKGJNFMB-UHFFFAOYSA-N 0 0 425.897 5.088 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)ncn1 ZINC000064568548 568933802 /nfs/dbraw/zinc/93/38/02/568933802.db2.gz ZMANNDJACBHPAV-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(N(CC)CC)cc2)o1 ZINC000006582319 568933854 /nfs/dbraw/zinc/93/38/54/568933854.db2.gz OBCVBQHXRHXXAE-UHFFFAOYSA-N 0 0 425.554 5.476 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCc4ccccc4C)cc3)ncn2)c1 ZINC000064568596 568933953 /nfs/dbraw/zinc/93/39/53/568933953.db2.gz JEUFWMSDCCBOPW-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1cccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000064578664 568934037 /nfs/dbraw/zinc/93/40/37/568934037.db2.gz CSKVQJWROQQDFV-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)c(OC)c1 ZINC000064578647 568934097 /nfs/dbraw/zinc/93/40/97/568934097.db2.gz FNEJZFPXHURHSG-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1cccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)c1 ZINC000064578696 568934102 /nfs/dbraw/zinc/93/41/02/568934102.db2.gz IXPBPDLGVVCULN-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)ncn1 ZINC000064578456 568934232 /nfs/dbraw/zinc/93/42/32/568934232.db2.gz JLPVXOISPNYJQM-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000002027641 568934609 /nfs/dbraw/zinc/93/46/09/568934609.db2.gz HVIXZOCUBGWSDT-UHFFFAOYSA-N 0 0 426.541 6.417 50 0 IKAARN CCn1c2cc(NC(=O)Nc3ccc(Cl)cc3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064590928 568935424 /nfs/dbraw/zinc/93/54/24/568935424.db2.gz YTUHVVVHLPBESN-UHFFFAOYSA-N 0 0 441.963 5.131 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(CC)c(=O)n3CC)cc1 ZINC000064590941 568935461 /nfs/dbraw/zinc/93/54/61/568935461.db2.gz SNJHHFOFJHXHRW-UHFFFAOYSA-N 0 0 435.572 5.040 50 0 IKAARN CCn1c2cc(NC(=O)Nc3cc(C)ccc3C)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064590929 568935488 /nfs/dbraw/zinc/93/54/88/568935488.db2.gz INGQOEFBWMEMSD-UHFFFAOYSA-N 0 0 435.572 5.094 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000035978318 568936348 /nfs/dbraw/zinc/93/63/48/568936348.db2.gz CRUBSYOQIYKDTH-UHFFFAOYSA-N 0 0 442.510 5.439 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O ZINC000089534389 568936512 /nfs/dbraw/zinc/93/65/12/568936512.db2.gz MXRNOUNRQZNDAJ-UHFFFAOYSA-N 0 0 439.467 5.945 50 0 IKAARN Cc1occc1-c1nnc(SCc2csc(-c3ccccc3)n2)n1Cc1ccccc1 ZINC000089544253 568937034 /nfs/dbraw/zinc/93/70/34/568937034.db2.gz OOQYTBTVGJDMRH-UHFFFAOYSA-N 0 0 444.585 6.311 50 0 IKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)oc2c1C(=O)CC(C)(C)C2 ZINC000089568172 568937771 /nfs/dbraw/zinc/93/77/71/568937771.db2.gz MTYUYHPUIVGAOU-OAHLLOKOSA-N 0 0 431.916 5.207 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000016691757 568938703 /nfs/dbraw/zinc/93/87/03/568938703.db2.gz XFLTZMNNHMWZIJ-AREMUKBSSA-N 0 0 446.572 5.154 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000013110050 568939781 /nfs/dbraw/zinc/93/97/81/568939781.db2.gz WVYFYHZDEWXHSM-IBGZPJMESA-N 0 0 446.498 5.495 50 0 IKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)nc2)cc1 ZINC000064605994 568939904 /nfs/dbraw/zinc/93/99/04/568939904.db2.gz GFTQHNRBXKZMRN-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN CCCCN(CCCC)C(=O)NCCCCCCNC(=O)N(CCCC)CCCC ZINC000004775490 568940139 /nfs/dbraw/zinc/94/01/39/568940139.db2.gz ZANFZAOFMKFGQZ-UHFFFAOYSA-N 0 0 426.690 5.770 50 0 IKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC ZINC000035980837 568940187 /nfs/dbraw/zinc/94/01/87/568940187.db2.gz IFXYDHHMOSTFIH-GOSISDBHSA-N 0 0 436.556 5.218 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000035980816 568940249 /nfs/dbraw/zinc/94/02/49/568940249.db2.gz OILBORKLPIOUIQ-UHFFFAOYSA-N 0 0 438.959 5.617 50 0 IKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000035980824 568940264 /nfs/dbraw/zinc/94/02/64/568940264.db2.gz YAMWLXSNUDTCSY-UHFFFAOYSA-N 0 0 436.556 5.076 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)OCCOc1ccccc1 ZINC000002050155 568940373 /nfs/dbraw/zinc/94/03/73/568940373.db2.gz KHFBCAGHOZIVKY-UHFFFAOYSA-N 0 0 444.409 5.585 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118912666 568940409 /nfs/dbraw/zinc/94/04/09/568940409.db2.gz JVRUDYNTKOCRNP-XMLICAENSA-N 0 0 436.592 6.107 50 0 biogenic IKAARN O=c1c2c(nc(SC/C=C/c3ccccc3)n1-c1ccccc1)sc1c2CCCC1 ZINC000054362775 568940776 /nfs/dbraw/zinc/94/07/76/568940776.db2.gz HWMRUKGPIFZBKM-FMIVXFBMSA-N 0 0 430.598 6.132 50 0 IKAARN Cc1ccc(NC[C@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002059372 568941187 /nfs/dbraw/zinc/94/11/87/568941187.db2.gz QCVMWQPDOJNKIV-MHZLTWQESA-N 0 0 446.594 7.065 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000002067586 568941356 /nfs/dbraw/zinc/94/13/56/568941356.db2.gz HPBISDCXBFBERC-LFVJCYFKSA-N 0 0 439.898 6.417 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccn2)C1)NCCc1ccc(Cl)cc1 ZINC000064656229 568941966 /nfs/dbraw/zinc/94/19/66/568941966.db2.gz RBJMPOMXFQNJHY-UHFFFAOYSA-N 0 0 448.979 5.382 50 0 IKAARN CCCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 ZINC000064656797 568942213 /nfs/dbraw/zinc/94/22/13/568942213.db2.gz UBBWCBYPDFEEOT-IBGZPJMESA-N 0 0 441.574 5.152 50 0 IKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656551 568942238 /nfs/dbraw/zinc/94/22/38/568942238.db2.gz MWULXBHTUBOFQW-LJQANCHMSA-N 0 0 441.574 5.234 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000064665715 568942694 /nfs/dbraw/zinc/94/26/94/568942694.db2.gz YYIUYTPZZCYCST-UHFFFAOYSA-N 0 0 433.508 5.761 50 0 IKAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(Br)cc4)cc32)cc1 ZINC000064664876 568942747 /nfs/dbraw/zinc/94/27/47/568942747.db2.gz FUMOBXRHXJCUND-UHFFFAOYSA-N 0 0 434.337 5.086 50 0 IKAARN O=S(=O)(NCc1cccn1Cc1ccccc1F)c1ccc(C2CCCCC2)cc1 ZINC000064665077 568942758 /nfs/dbraw/zinc/94/27/58/568942758.db2.gz AJBFDAYTZJMJRG-UHFFFAOYSA-N 0 0 426.557 5.202 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccccc3F)C2)cc1 ZINC000064665713 568942790 /nfs/dbraw/zinc/94/27/90/568942790.db2.gz ZINYHUAMKFOOER-UHFFFAOYSA-N 0 0 433.508 5.761 50 0 IKAARN CC(C)N1c2ccc(-c3noc(COc4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064666817 568942831 /nfs/dbraw/zinc/94/28/31/568942831.db2.gz JESBHUYHTXGDPM-UHFFFAOYSA-N 0 0 443.528 5.835 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NC2CCCCCC2)CC1 ZINC000064667978 568942875 /nfs/dbraw/zinc/94/28/75/568942875.db2.gz CZCIZDNPMLRAAZ-UHFFFAOYSA-N 0 0 439.625 5.200 50 0 IKAARN CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000064667570 568942906 /nfs/dbraw/zinc/94/29/06/568942906.db2.gz UHKDQRRVSDXWLE-UHFFFAOYSA-N 0 0 437.952 5.288 50 0 IKAARN Cc1c(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668086 568943071 /nfs/dbraw/zinc/94/30/71/568943071.db2.gz SJOXMTXXZNPGTE-MRXNPFEDSA-N 0 0 449.601 5.264 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669389 568943292 /nfs/dbraw/zinc/94/32/92/568943292.db2.gz ROBNMKKERIMYQP-UHFFFAOYSA-N 0 0 433.458 6.456 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1 ZINC000064669393 568943312 /nfs/dbraw/zinc/94/33/12/568943312.db2.gz HSSFZZYFSWILQQ-UHFFFAOYSA-N 0 0 443.522 6.303 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)o1 ZINC000064669441 568943342 /nfs/dbraw/zinc/94/33/42/568943342.db2.gz PRLJBLAIZIJHSG-UHFFFAOYSA-N 0 0 433.483 5.896 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCc3cccnc3)o2)cc1 ZINC000064669299 568943344 /nfs/dbraw/zinc/94/33/44/568943344.db2.gz YWOVDXCSFWYVFS-UHFFFAOYSA-N 0 0 440.547 5.949 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1 ZINC000064669493 568943407 /nfs/dbraw/zinc/94/34/07/568943407.db2.gz XCOSCEOXOXLPLD-UHFFFAOYSA-N 0 0 443.522 6.303 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3cccc(F)c3)o2)cc1 ZINC000064669504 568943450 /nfs/dbraw/zinc/94/34/50/568943450.db2.gz ASTNONZNKINNTQ-UHFFFAOYSA-N 0 0 443.522 6.303 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3cccc(Br)c3)no2)cn1-c1ccccc1 ZINC000064664185 568943564 /nfs/dbraw/zinc/94/35/64/568943564.db2.gz KEUFZAOZPKUYOA-UHFFFAOYSA-N 0 0 444.288 5.470 50 0 IKAARN CCOc1ccc(NC(=O)C[C@@H]2COc3cc(F)ccc3N2Cc2ccc(C)cc2)cc1 ZINC000064663971 568943568 /nfs/dbraw/zinc/94/35/68/568943568.db2.gz DIODJMIKEUCQNF-JOCHJYFZSA-N 0 0 434.511 5.329 50 0 IKAARN Cc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1C ZINC000064664390 568943584 /nfs/dbraw/zinc/94/35/84/568943584.db2.gz UELWHHDJQXVJQX-UHFFFAOYSA-N 0 0 426.343 5.019 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn21 ZINC000064675756 568943726 /nfs/dbraw/zinc/94/37/26/568943726.db2.gz ORIRRSZHKNJXPY-UHFFFAOYSA-N 0 0 448.364 5.952 50 0 IKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000064675650 568943755 /nfs/dbraw/zinc/94/37/55/568943755.db2.gz QLUIBZBWTNVZOF-UHFFFAOYSA-N 0 0 448.364 5.952 50 0 IKAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1cccc(Br)c1 ZINC000064675591 568943777 /nfs/dbraw/zinc/94/37/77/568943777.db2.gz DLCKRVXZCGEJCY-UHFFFAOYSA-N 0 0 438.300 5.474 50 0 IKAARN CCC[C@@H](NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)c1cccs1 ZINC000064675733 568943813 /nfs/dbraw/zinc/94/38/13/568943813.db2.gz HVJJKIYHTXXYDD-LJQANCHMSA-N 0 0 437.996 6.306 50 0 IKAARN Cc1ccc(NC(=O)CCc2c(-c3ccc(Br)cc3)nc3ccccn32)cc1 ZINC000064675782 568943836 /nfs/dbraw/zinc/94/38/36/568943836.db2.gz LDUMDMZCIBACEZ-UHFFFAOYSA-N 0 0 434.337 5.644 50 0 IKAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)N1CCC(Cc2ccccc2)CC1 ZINC000064675557 568943844 /nfs/dbraw/zinc/94/38/44/568943844.db2.gz MMKXWMOLDVIPMV-UHFFFAOYSA-N 0 0 441.550 5.554 50 0 IKAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)Nc1cccc(F)c1 ZINC000064675761 568943857 /nfs/dbraw/zinc/94/38/57/568943857.db2.gz WURGDGPVOAEKGY-UHFFFAOYSA-N 0 0 438.300 5.474 50 0 IKAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1cccc(C(F)(F)F)c1 ZINC000064675497 568943860 /nfs/dbraw/zinc/94/38/60/568943860.db2.gz QQSAHLHZCRDPSB-UHFFFAOYSA-N 0 0 427.401 5.731 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000064687880 568944138 /nfs/dbraw/zinc/94/41/38/568944138.db2.gz DVOWLXZCFGOPCO-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000064687976 568944149 /nfs/dbraw/zinc/94/41/49/568944149.db2.gz PTBCLJBKJSXRGY-UHFFFAOYSA-N 0 0 429.520 5.170 50 0 IKAARN Cc1cc2nc(Nc3ccc(Br)c(C)c3)c(C(=O)OC(C)C)nc2cc1C ZINC000064690561 568944151 /nfs/dbraw/zinc/94/41/51/568944151.db2.gz BBOILWVAZTZNAZ-UHFFFAOYSA-N 0 0 428.330 5.626 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1 ZINC000064687782 568944170 /nfs/dbraw/zinc/94/41/70/568944170.db2.gz PKNGNCSKTFKDIT-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000064687840 568944215 /nfs/dbraw/zinc/94/42/15/568944215.db2.gz JYHSTKIAJTTXFB-UHFFFAOYSA-N 0 0 447.966 5.411 50 0 IKAARN CCNC(=O)c1coc(CN(Cc2sccc2C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065387 568945113 /nfs/dbraw/zinc/94/51/13/568945113.db2.gz QPRLESONXZVILQ-UHFFFAOYSA-N 0 0 437.487 5.015 50 0 IKAARN Cc1ccc(C)c(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC(C)C)co2)c1 ZINC000036065667 568945308 /nfs/dbraw/zinc/94/53/08/568945308.db2.gz RCNQYMXOZRGOHL-UHFFFAOYSA-N 0 0 444.579 5.156 50 0 IKAARN CC(C)[C@@H](C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069133 568945443 /nfs/dbraw/zinc/94/54/43/568945443.db2.gz FFMQXSPOBFMTJS-MRXNPFEDSA-N 0 0 449.473 5.263 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)N2CCCCC2)co1)Cc1ccc(F)cc1F ZINC000036073472 568945892 /nfs/dbraw/zinc/94/58/92/568945892.db2.gz PJWCZBLOBSTCQT-SFHVURJKSA-N 0 0 439.506 5.342 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)N2CCCCC2)co1)Cc1ccc(F)cc1F ZINC000036073473 568945898 /nfs/dbraw/zinc/94/58/98/568945898.db2.gz PJWCZBLOBSTCQT-GOSISDBHSA-N 0 0 439.506 5.342 50 0 IKAARN C[C@H](NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2)n1)c1ccccc1 ZINC000036072307 568946053 /nfs/dbraw/zinc/94/60/53/568946053.db2.gz NHKSMURQWRNLLX-FQEVSTJZSA-N 0 0 443.522 5.507 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(F)cc1 ZINC000036072462 568946068 /nfs/dbraw/zinc/94/60/68/568946068.db2.gz JWWRYWKDARJUMQ-UHFFFAOYSA-N 0 0 443.522 5.255 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036072374 568946132 /nfs/dbraw/zinc/94/61/32/568946132.db2.gz DKRVTLJEVRNUKS-LJQANCHMSA-N 0 0 437.559 5.668 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2ccco2)co1)[C@H](C)c1ccccc1 ZINC000036073523 568946290 /nfs/dbraw/zinc/94/62/90/568946290.db2.gz SVDQEICUOBGJCA-HXUWFJFHSA-N 0 0 429.520 5.269 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073679 568946454 /nfs/dbraw/zinc/94/64/54/568946454.db2.gz PGPMPVQHSWVMHW-INIZCTEOSA-N 0 0 446.378 5.712 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccccc3)co2)Cc2ccccc2)c(C)c1 ZINC000036082903 568946817 /nfs/dbraw/zinc/94/68/17/568946817.db2.gz FJAWJEGDVISYBQ-UHFFFAOYSA-N 0 0 439.559 5.424 50 0 IKAARN CCNC(=O)c1coc(CN(Cc2ccccc2C(F)(F)F)[C@H](C)c2ccccc2)n1 ZINC000036082670 568946820 /nfs/dbraw/zinc/94/68/20/568946820.db2.gz HTKLPFNCCZNTRC-MRXNPFEDSA-N 0 0 431.458 5.207 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000036082713 568946854 /nfs/dbraw/zinc/94/68/54/568946854.db2.gz INJBMTJKWBLFSN-UHFFFAOYSA-N 0 0 443.469 5.130 50 0 IKAARN CCNC(=O)c1coc(CN(Cc2ccccc2C(F)(F)F)[C@@H](C)c2ccccc2)n1 ZINC000036082669 568946860 /nfs/dbraw/zinc/94/68/60/568946860.db2.gz HTKLPFNCCZNTRC-INIZCTEOSA-N 0 0 431.458 5.207 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccccc2)c(C)c1 ZINC000036082902 568946863 /nfs/dbraw/zinc/94/68/63/568946863.db2.gz CWEHZRPRXSUHPK-UHFFFAOYSA-N 0 0 429.520 5.017 50 0 IKAARN CC(C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1Cl ZINC000036083029 568947014 /nfs/dbraw/zinc/94/70/14/568947014.db2.gz FOQLRLOOGJZVSP-MRXNPFEDSA-N 0 0 446.378 5.883 50 0 IKAARN CCNC(=O)c1coc(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)c2ccccc2)n1 ZINC000036083145 568947041 /nfs/dbraw/zinc/94/70/41/568947041.db2.gz NKRSSWFTVJBYCS-MRXNPFEDSA-N 0 0 431.458 5.207 50 0 IKAARN CCOC(=O)C1=C(COc2ccccc2C(C)C)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036083862 568947654 /nfs/dbraw/zinc/94/76/54/568947654.db2.gz LIHYYLCFNKZIPR-DEOSSOPVSA-N 0 0 436.552 5.019 50 0 IKAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000064747482 568949940 /nfs/dbraw/zinc/94/99/40/568949940.db2.gz FHFHLJMQTNGVKK-KRWDZBQOSA-N 0 0 432.402 5.133 50 0 IKAARN O=C(Nc1cccc(Br)c1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747715 568950031 /nfs/dbraw/zinc/95/00/31/568950031.db2.gz WDNVSHQPCHCUCG-INIZCTEOSA-N 0 0 449.255 5.146 50 0 IKAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000064747483 568950116 /nfs/dbraw/zinc/95/01/16/568950116.db2.gz FHFHLJMQTNGVKK-QGZVFWFLSA-N 0 0 432.402 5.133 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747693 568950140 /nfs/dbraw/zinc/95/01/40/568950140.db2.gz HYCJQNQPLVCACF-INIZCTEOSA-N 0 0 434.830 5.046 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1 ZINC000064754638 568951003 /nfs/dbraw/zinc/95/10/03/568951003.db2.gz IFJYGEPZIFUWBB-OAQYLSRUSA-N 0 0 441.531 5.054 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1 ZINC000064754640 568951027 /nfs/dbraw/zinc/95/10/27/568951027.db2.gz IFJYGEPZIFUWBB-NRFANRHFSA-N 0 0 441.531 5.054 50 0 IKAARN COc1c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755692 568951142 /nfs/dbraw/zinc/95/11/42/568951142.db2.gz RRNVVNYUZJJYPJ-UHFFFAOYSA-N 0 0 436.414 5.533 50 0 IKAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)CC(C)(C)C ZINC000036094470 568951216 /nfs/dbraw/zinc/95/12/16/568951216.db2.gz HEJJSKMMEBWUPY-OAHLLOKOSA-N 0 0 439.021 5.431 50 0 IKAARN COc1c2cc(NC(=O)/C=C/c3ccc(C)o3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755741 568951305 /nfs/dbraw/zinc/95/13/05/568951305.db2.gz WDNVELGMWHZXBZ-ZRDIBKRKSA-N 0 0 434.423 5.386 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755726 568951404 /nfs/dbraw/zinc/95/14/04/568951404.db2.gz QRPYEAWAQDKJKS-UHFFFAOYSA-N 0 0 438.842 5.739 50 0 IKAARN COc1c2cc(NC(=O)Cc3ccccc3C)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755763 568951409 /nfs/dbraw/zinc/95/14/09/568951409.db2.gz REECYAUKJSBZQK-UHFFFAOYSA-N 0 0 432.451 5.322 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2nc3cccnc3n2C2CCCCC2)cc1 ZINC000064756202 568951431 /nfs/dbraw/zinc/95/14/31/568951431.db2.gz YWMKJJOYWSOTCH-UHFFFAOYSA-N 0 0 444.966 6.187 50 0 IKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(Br)cc1 ZINC000064757993 568952289 /nfs/dbraw/zinc/95/22/89/568952289.db2.gz IXMRQKWQCUMSLF-UHFFFAOYSA-N 0 0 445.386 5.395 50 0 IKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000064758013 568952325 /nfs/dbraw/zinc/95/23/25/568952325.db2.gz VFOLQOHKQWIEJG-UHFFFAOYSA-N 0 0 434.487 5.651 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(Cc1ccccc1)C(=O)CC(C)(C)C ZINC000006695936 568952470 /nfs/dbraw/zinc/95/24/70/568952470.db2.gz GIPGJZHWNKWOGM-UHFFFAOYSA-N 0 0 435.612 5.456 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000006696210 568952737 /nfs/dbraw/zinc/95/27/37/568952737.db2.gz JVPCDDUAGWXBLL-DEOSSOPVSA-N 0 0 435.612 5.424 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccccc1F ZINC000036105305 568952873 /nfs/dbraw/zinc/95/28/73/568952873.db2.gz FLWWOXQZLBAHNY-GOSISDBHSA-N 0 0 426.557 5.919 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccccc1F ZINC000036105307 568952928 /nfs/dbraw/zinc/95/29/28/568952928.db2.gz FLWWOXQZLBAHNY-SFHVURJKSA-N 0 0 426.557 5.919 50 0 IKAARN CC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(F)cc1 ZINC000036105411 568952969 /nfs/dbraw/zinc/95/29/69/568952969.db2.gz JFHGJDYQTZLEEB-UHFFFAOYSA-N 0 0 432.948 5.813 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)CC(C)C)cc1 ZINC000036105419 568952993 /nfs/dbraw/zinc/95/29/93/568952993.db2.gz YBAHDTTYKVCNGS-UHFFFAOYSA-N 0 0 444.984 5.683 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccs1 ZINC000036104990 568953151 /nfs/dbraw/zinc/95/31/51/568953151.db2.gz GEPVMHXJWVOIGE-QGZVFWFLSA-N 0 0 428.623 6.348 50 0 IKAARN COCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(C)cc1 ZINC000036104944 568953181 /nfs/dbraw/zinc/95/31/81/568953181.db2.gz SRSPTVMNGHEWHM-UHFFFAOYSA-N 0 0 438.593 5.443 50 0 IKAARN CC(C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105484 568953184 /nfs/dbraw/zinc/95/31/84/568953184.db2.gz AJPYVEMKSSSMIL-UHFFFAOYSA-N 0 0 435.376 6.080 50 0 IKAARN CC(C)CN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccs1 ZINC000036104898 568953193 /nfs/dbraw/zinc/95/31/93/568953193.db2.gz DKTYFTBOOSIRBI-UHFFFAOYSA-N 0 0 428.623 6.205 50 0 IKAARN CCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccc(OC)c1 ZINC000036105129 568953307 /nfs/dbraw/zinc/95/33/07/568953307.db2.gz QVNGRTBUVGSBDR-UHFFFAOYSA-N 0 0 438.593 5.907 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccc(C)c1 ZINC000036105038 568953327 /nfs/dbraw/zinc/95/33/27/568953327.db2.gz VXTXVSUBBZZMFH-HXUWFJFHSA-N 0 0 436.621 6.595 50 0 IKAARN CC(C)c1ccccc1OCc1nc(CN(C(=O)c2ccc(Cl)cc2)C2CC2)cs1 ZINC000036105059 568953396 /nfs/dbraw/zinc/95/33/96/568953396.db2.gz STHQETRXAVGDPW-UHFFFAOYSA-N 0 0 440.996 6.304 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036105554 568953399 /nfs/dbraw/zinc/95/33/99/568953399.db2.gz DHCKVDCSQUAWHU-INIZCTEOSA-N 0 0 444.984 5.825 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1F ZINC000036105528 568953426 /nfs/dbraw/zinc/95/34/26/568953426.db2.gz NWMZDPAWLAABRH-OAHLLOKOSA-N 0 0 432.948 5.956 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3)n2)CC(C)C)c1 ZINC000036105218 568953436 /nfs/dbraw/zinc/95/34/36/568953436.db2.gz IPROZNYJTWYAQX-UHFFFAOYSA-N 0 0 438.593 5.646 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccs1 ZINC000036105947 568953502 /nfs/dbraw/zinc/95/35/02/568953502.db2.gz YKQMMQKJPRSKBA-QGZVFWFLSA-N 0 0 428.623 6.150 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105778 568953515 /nfs/dbraw/zinc/95/35/15/568953515.db2.gz YRXFOYFOPMBANO-INIZCTEOSA-N 0 0 444.984 5.825 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1F ZINC000036105599 568953535 /nfs/dbraw/zinc/95/35/35/568953535.db2.gz UYRAXYYXYOTRRF-UHFFFAOYSA-N 0 0 448.947 5.194 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C2CC2)cc1 ZINC000036106037 568953556 /nfs/dbraw/zinc/95/35/56/568953556.db2.gz VWYVBHHIKKODBV-UHFFFAOYSA-N 0 0 436.577 5.461 50 0 IKAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)c2ccc(F)cc2)cs1 ZINC000036105653 568953587 /nfs/dbraw/zinc/95/35/87/568953587.db2.gz HYNPKELOVRMIBA-UHFFFAOYSA-N 0 0 428.529 5.168 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(C)cc1 ZINC000036106720 568953706 /nfs/dbraw/zinc/95/37/06/568953706.db2.gz HOJBEMRNGVMTNA-QGZVFWFLSA-N 0 0 428.985 6.125 50 0 IKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)c1 ZINC000036106350 568953746 /nfs/dbraw/zinc/95/37/46/568953746.db2.gz HGPBKAVGODDNMJ-UHFFFAOYSA-N 0 0 428.985 5.982 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1F ZINC000036106730 568953769 /nfs/dbraw/zinc/95/37/69/568953769.db2.gz IXLLKKSVEMNYCF-HNNXBMFYSA-N 0 0 432.948 5.956 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036106490 568953782 /nfs/dbraw/zinc/95/37/82/568953782.db2.gz UDYIOQKRQSGSJM-QGZVFWFLSA-N 0 0 438.549 5.200 50 0 IKAARN Cc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2cccc(Cl)c2)C1 ZINC000064775097 568954365 /nfs/dbraw/zinc/95/43/65/568954365.db2.gz IIKJIDKZTJUHER-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(Cl)c3)C2)cc1C ZINC000064775108 568954370 /nfs/dbraw/zinc/95/43/70/568954370.db2.gz LJDSCWIGKAVMJH-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccs2)C1)Nc1ccc(F)c(Cl)c1 ZINC000064775392 568954532 /nfs/dbraw/zinc/95/45/32/568954532.db2.gz IRQOPVGIXMXRIK-UHFFFAOYSA-N 0 0 443.956 6.467 50 0 IKAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(C(C)C)cc3)c2s1 ZINC000064775462 568954693 /nfs/dbraw/zinc/95/46/93/568954693.db2.gz IJBSVEDHHFHSTP-UHFFFAOYSA-N 0 0 443.642 5.567 50 0 IKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccc4Cl)n3)o2)c1 ZINC000064775653 568954718 /nfs/dbraw/zinc/95/47/18/568954718.db2.gz OVDUCEWANUVUKE-UHFFFAOYSA-N 0 0 427.895 5.921 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(F)cc1 ZINC000036114158 568955107 /nfs/dbraw/zinc/95/51/07/568955107.db2.gz PIVQNZFTNIZBSK-QGZVFWFLSA-N 0 0 426.557 5.919 50 0 IKAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccc(C)c1 ZINC000036114255 568955120 /nfs/dbraw/zinc/95/51/20/568955120.db2.gz LEOFVZNGHUKNOV-UHFFFAOYSA-N 0 0 438.593 5.326 50 0 IKAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccccc1C ZINC000036114251 568955121 /nfs/dbraw/zinc/95/51/21/568955121.db2.gz IKGHHCZNENNHFP-UHFFFAOYSA-N 0 0 438.593 5.326 50 0 IKAARN COCCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114599 568955253 /nfs/dbraw/zinc/95/52/53/568955253.db2.gz BYZNGYBJQWDUJO-UHFFFAOYSA-N 0 0 430.957 5.054 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115325 568955255 /nfs/dbraw/zinc/95/52/55/568955255.db2.gz GHFOJLFXOHOXCM-LJQANCHMSA-N 0 0 444.622 5.328 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114844 568955276 /nfs/dbraw/zinc/95/52/76/568955276.db2.gz BQMCQRGVHQCGNN-QGZVFWFLSA-N 0 0 428.985 6.125 50 0 IKAARN Cc1ccc(OCc2nc(CN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)cs2)cc1 ZINC000036115374 568955284 /nfs/dbraw/zinc/95/52/84/568955284.db2.gz LUEUQGZOKYPARN-UHFFFAOYSA-N 0 0 444.622 5.186 50 0 IKAARN COCCCN(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114880 568955288 /nfs/dbraw/zinc/95/52/88/568955288.db2.gz VARYJKVMHUUXJQ-UHFFFAOYSA-N 0 0 444.984 5.363 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115108 568955423 /nfs/dbraw/zinc/95/54/23/568955423.db2.gz SFUXVFICNMMNGP-KRWDZBQOSA-N 0 0 444.000 6.517 50 0 IKAARN Cc1cccc(C(=O)N(Cc2csc(COc3cccc4ccccc43)n2)C2CC2)c1 ZINC000036115074 568955441 /nfs/dbraw/zinc/95/54/41/568955441.db2.gz AYDMCYZVMZWXIP-UHFFFAOYSA-N 0 0 428.557 5.989 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)C1CCCC1 ZINC000036114958 568955461 /nfs/dbraw/zinc/95/54/61/568955461.db2.gz PTJXSZXRCZKFQC-MRXNPFEDSA-N 0 0 432.586 5.057 50 0 IKAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(C)(C)C ZINC000036116937 568955759 /nfs/dbraw/zinc/95/57/59/568955759.db2.gz MXTDMNSUDGSTLB-QFIPXVFZSA-N 0 0 442.625 5.023 50 0 IKAARN CSc1cccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c1 ZINC000064788011 568956936 /nfs/dbraw/zinc/95/69/36/568956936.db2.gz SIFZKXSKRJTEDS-UHFFFAOYSA-N 0 0 427.938 5.051 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3cccc(OC)c3)c[nH]c21 ZINC000006704759 568957004 /nfs/dbraw/zinc/95/70/04/568957004.db2.gz TYFBZPAOOJDPGB-XMMPIXPASA-N 0 0 427.548 5.015 50 0 IKAARN CCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000006704910 568957185 /nfs/dbraw/zinc/95/71/85/568957185.db2.gz COYJENFHYRBRAA-VWLOTQADSA-N 0 0 426.560 6.185 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000036124469 568958702 /nfs/dbraw/zinc/95/87/02/568958702.db2.gz HSWHNWLUHPXBME-UHFFFAOYSA-N 0 0 447.387 6.142 50 0 IKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cc(Cl)ccc3Cl)n2)C2CC2)cc1 ZINC000036124450 568958748 /nfs/dbraw/zinc/95/87/48/568958748.db2.gz PLTWTUNOVVCTER-UHFFFAOYSA-N 0 0 447.387 6.142 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000006708952 568958798 /nfs/dbraw/zinc/95/87/98/568958798.db2.gz RQVOKHIEYOPDLB-FQEVSTJZSA-N 0 0 437.628 5.873 50 0 IKAARN CCCc1cc(Nc2cccc(C(=O)Nc3ccccc3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791661 568959050 /nfs/dbraw/zinc/95/90/50/568959050.db2.gz MNISCHIFUZRORZ-UHFFFAOYSA-N 0 0 449.518 5.135 50 0 IKAARN CCc1ccc(NC(=O)c2cccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)c2)cc1 ZINC000064791584 568959140 /nfs/dbraw/zinc/95/91/40/568959140.db2.gz WRZBFHSCIPFQTQ-UHFFFAOYSA-N 0 0 449.518 5.053 50 0 IKAARN Cc1cccc(CSc2nnc(-c3sc4ncccc4c3N)n2Cc2ccco2)c1 ZINC000064794452 568959886 /nfs/dbraw/zinc/95/98/86/568959886.db2.gz VXRJJTFKHLVDCI-UHFFFAOYSA-N 0 0 433.562 5.379 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)c1 ZINC000064798778 568960533 /nfs/dbraw/zinc/96/05/33/568960533.db2.gz LTQCFHSCOLPVGO-QGZVFWFLSA-N 0 0 431.966 5.325 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000064798517 568960598 /nfs/dbraw/zinc/96/05/98/568960598.db2.gz JJPFHBVBEUWWGD-LJQANCHMSA-N 0 0 441.574 5.151 50 0 IKAARN CSc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 ZINC000064799335 568960802 /nfs/dbraw/zinc/96/08/02/568960802.db2.gz MJMUTPRZYOJYFS-QGZVFWFLSA-N 0 0 429.588 5.085 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nc(NC2CCCCC2)n1 ZINC000064801223 568960921 /nfs/dbraw/zinc/96/09/21/568960921.db2.gz CXZCHOKMDABEFV-UHFFFAOYSA-N 0 0 445.523 5.254 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c(C)c1 ZINC000064801320 568960928 /nfs/dbraw/zinc/96/09/28/568960928.db2.gz UGQVFJCECVLCBA-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)Nc4ccccc4C)cc3)n2)cc1 ZINC000064801370 568960933 /nfs/dbraw/zinc/96/09/33/568960933.db2.gz BNCYTIDSCAYQPC-UHFFFAOYSA-N 0 0 438.535 6.533 50 0 IKAARN CCc1cccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064801323 568960951 /nfs/dbraw/zinc/96/09/51/568960951.db2.gz IRXXBDAXHAAPNO-UHFFFAOYSA-N 0 0 430.556 5.725 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)[C@@H](C)C(C)C)c1 ZINC000006711877 568960967 /nfs/dbraw/zinc/96/09/67/568960967.db2.gz PGLWCOWUZAZBRG-KRWDZBQOSA-N 0 0 429.992 5.441 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(N2CCCCC2)n1 ZINC000064801301 568960987 /nfs/dbraw/zinc/96/09/87/568960987.db2.gz WPXRVLKVLJRYKT-UHFFFAOYSA-N 0 0 436.947 5.816 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)cc1 ZINC000064801206 568961007 /nfs/dbraw/zinc/96/10/07/568961007.db2.gz VQTVQJWKOBHPHD-UHFFFAOYSA-N 0 0 431.540 5.534 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(N2CCCC2)n1 ZINC000064800872 568961250 /nfs/dbraw/zinc/96/12/50/568961250.db2.gz YGIDOUYAMKDCIE-UHFFFAOYSA-N 0 0 441.457 5.400 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064800865 568961254 /nfs/dbraw/zinc/96/12/54/568961254.db2.gz NEYIEKVHMFXSLA-UHFFFAOYSA-N 0 0 425.895 5.174 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1 ZINC000064801508 568961436 /nfs/dbraw/zinc/96/14/36/568961436.db2.gz JXMUTERGDOOMIL-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(N2CCCCC2)n1 ZINC000064800986 568961447 /nfs/dbraw/zinc/96/14/47/568961447.db2.gz WYLNJGOKBWIGLZ-UHFFFAOYSA-N 0 0 439.922 5.564 50 0 IKAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000064801773 568961493 /nfs/dbraw/zinc/96/14/93/568961493.db2.gz YAAUZKASPUDWBK-UHFFFAOYSA-N 0 0 439.585 5.059 50 0 IKAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(NC2CCCCC2)n1 ZINC000064802007 568961569 /nfs/dbraw/zinc/96/15/69/568961569.db2.gz MOOCPGBZKMTWJL-UHFFFAOYSA-N 0 0 437.569 5.074 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000036149283 568962803 /nfs/dbraw/zinc/96/28/03/568962803.db2.gz OSNJCFOAQUCVCY-UHFFFAOYSA-N 0 0 437.971 5.894 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000006722025 568962931 /nfs/dbraw/zinc/96/29/31/568962931.db2.gz FQWRZJSKKGEZMC-FQEVSTJZSA-N 0 0 435.612 5.631 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000006722023 568963060 /nfs/dbraw/zinc/96/30/60/568963060.db2.gz FQWRZJSKKGEZMC-HXUWFJFHSA-N 0 0 435.612 5.631 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006722788 568963110 /nfs/dbraw/zinc/96/31/10/568963110.db2.gz DACKVOOXKKLVTE-IBGZPJMESA-N 0 0 431.665 5.937 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000006722850 568963117 /nfs/dbraw/zinc/96/31/17/568963117.db2.gz DYLDJVXMZDYYRB-GOSISDBHSA-N 0 0 427.564 5.173 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000006722417 568963234 /nfs/dbraw/zinc/96/32/34/568963234.db2.gz JVBQSXGOWFCVMN-XMMPIXPASA-N 0 0 433.596 5.034 50 0 IKAARN CCn1cc([C@@H](CC(=O)N2CCc3ccccc3C2)c2ccc(F)cc2)c2ccccc21 ZINC000006724280 568963273 /nfs/dbraw/zinc/96/32/73/568963273.db2.gz DPDAIZCCFWXEPF-VWLOTQADSA-N 0 0 426.535 5.907 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccccc1F)C(=O)N2Cc1ccccc1 ZINC000036151666 568963298 /nfs/dbraw/zinc/96/32/98/568963298.db2.gz ITLZLKQOVNJNHC-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@@]23c2cc(C)ccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036151649 568963338 /nfs/dbraw/zinc/96/33/38/568963338.db2.gz PUBDVGHMTUDABR-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036151545 568963352 /nfs/dbraw/zinc/96/33/52/568963352.db2.gz INPSRCZLLUANCA-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN CC1(C)CN(C(=O)c2ccc(F)cc2)[C@@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152912 568963751 /nfs/dbraw/zinc/96/37/51/568963751.db2.gz ZXCLSAAZIMUVLE-AREMUKBSSA-N 0 0 446.547 5.193 50 0 IKAARN CC1(C)CN(C(=O)C2CCCC2)[C@]2(S1)c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152890 568963785 /nfs/dbraw/zinc/96/37/85/568963785.db2.gz HRMQDXLRYUPMRU-VWLOTQADSA-N 0 0 438.568 5.070 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723273 568963841 /nfs/dbraw/zinc/96/38/41/568963841.db2.gz RFEXUZGUDSEBGE-GOSISDBHSA-N 0 0 427.589 5.407 50 0 IKAARN CCN1c2ccc(F)cc2[C@]2(SC(C)(C)CN2C(=O)Nc2cccc(Cl)c2)C1=O ZINC000036151217 568964075 /nfs/dbraw/zinc/96/40/75/568964075.db2.gz XXPJDDZCLARBTG-NRFANRHFSA-N 0 0 433.936 5.058 50 0 IKAARN Cn1c2ccccc2c(CNC(=O)Nc2cccc(C(F)(F)F)c2)c1-c1cccs1 ZINC000064816648 568964116 /nfs/dbraw/zinc/96/41/16/568964116.db2.gz YMQJJMKZEDWNDH-UHFFFAOYSA-N 0 0 429.467 6.247 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c1 ZINC000036151481 568964237 /nfs/dbraw/zinc/96/42/37/568964237.db2.gz ZZRJNIJNOPWHGB-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2cc(Cl)ccc2OC)c1-c1cccs1 ZINC000064816661 568964241 /nfs/dbraw/zinc/96/42/41/568964241.db2.gz ZDLNOLJCQUPXQT-UHFFFAOYSA-N 0 0 439.968 6.373 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)Nc2ccc(F)cc2)C1=O ZINC000036151504 568964265 /nfs/dbraw/zinc/96/42/65/568964265.db2.gz DFYRODVRVNEPKO-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccc(F)cc3)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817209 568964393 /nfs/dbraw/zinc/96/43/93/568964393.db2.gz JBGROJXFDWLOEP-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN CCn1nc(C)c2nc(SCc3cccc(Cl)c3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817404 568964458 /nfs/dbraw/zinc/96/44/58/568964458.db2.gz KBTCRUKSIIWJTG-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccccc3Cl)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817402 568964476 /nfs/dbraw/zinc/96/44/76/568964476.db2.gz CFCGPHSWOCJKDL-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccc(F)cc3)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817331 568964520 /nfs/dbraw/zinc/96/45/20/568964520.db2.gz RXMNRBKGYLTQEK-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@]23c2cc(Cl)ccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036155431 568964719 /nfs/dbraw/zinc/96/47/19/568964719.db2.gz VZBYMISTBIUDPY-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000036155375 568964762 /nfs/dbraw/zinc/96/47/62/568964762.db2.gz IJMNJOVTMCAFMQ-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccs1 ZINC000036156471 568965154 /nfs/dbraw/zinc/96/51/54/568965154.db2.gz AMEVDQQKVPUVKG-UHFFFAOYSA-N 0 0 437.609 6.082 50 0 IKAARN COCCN(Cc1ccc(C(O)(CC2CCC2)CC2CCC2)o1)Cc1cccc(OC)c1 ZINC000036156159 568965201 /nfs/dbraw/zinc/96/52/01/568965201.db2.gz LZFNHJRJLBWUAA-UHFFFAOYSA-N 0 0 441.612 5.505 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819068 568965841 /nfs/dbraw/zinc/96/58/41/568965841.db2.gz YJCKWLYDAUTYCP-MRXNPFEDSA-N 0 0 428.458 5.121 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819094 568966030 /nfs/dbraw/zinc/96/60/30/568966030.db2.gz HYZUIDJHDWZBSF-QGZVFWFLSA-N 0 0 442.485 5.627 50 0 IKAARN O=C(Nc1ccccc1)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000036155721 568966419 /nfs/dbraw/zinc/96/64/19/568966419.db2.gz ARURHZYRPXRBCE-XMMPIXPASA-N 0 0 449.963 5.321 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccs1 ZINC000036161152 568967327 /nfs/dbraw/zinc/96/73/27/568967327.db2.gz KKPKZDOVFPLELY-LJQANCHMSA-N 0 0 437.609 6.080 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1ccccc1F ZINC000036161178 568967481 /nfs/dbraw/zinc/96/74/81/568967481.db2.gz VHXFKTWPLNYRNF-HXUWFJFHSA-N 0 0 449.570 6.158 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000036161862 568967741 /nfs/dbraw/zinc/96/77/41/568967741.db2.gz PLZDJEREVGEEFR-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@@]23c2cc(F)ccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036162393 568967803 /nfs/dbraw/zinc/96/78/03/568967803.db2.gz JMASROXVOQCJNL-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1ccccc1F ZINC000036161996 568967845 /nfs/dbraw/zinc/96/78/45/568967845.db2.gz HSJFZKAENCKJLK-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1cccc(C)c1 ZINC000036162148 568967863 /nfs/dbraw/zinc/96/78/63/568967863.db2.gz JOSTZJIURWJHOH-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@]23c2cc(C)ccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000036164974 568968218 /nfs/dbraw/zinc/96/82/18/568968218.db2.gz WBTPSDSIHRWENB-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccc(F)cc1)C(=O)N2Cc1cccc(C)c1 ZINC000036164850 568968255 /nfs/dbraw/zinc/96/82/55/568968255.db2.gz HRWXVMCHALBQPI-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000006735403 568968694 /nfs/dbraw/zinc/96/86/94/568968694.db2.gz AHSOOSWFXHIYQR-BXKMTCNYSA-N 0 0 428.573 6.068 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000064847766 568971219 /nfs/dbraw/zinc/97/12/19/568971219.db2.gz MIKUPKRGKZBNNH-OAHLLOKOSA-N 0 0 434.367 5.821 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c(C)c1 ZINC000064848132 568971483 /nfs/dbraw/zinc/97/14/83/568971483.db2.gz LMACOKDDRFBCLE-UHFFFAOYSA-N 0 0 449.620 5.125 50 0 biogenic IKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC1)N2 ZINC000064848203 568971610 /nfs/dbraw/zinc/97/16/10/568971610.db2.gz GNRUUUVYUZOCKD-UHFFFAOYSA-N 0 0 449.620 5.125 50 0 biogenic IKAARN Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1NC(=O)c1ccco1 ZINC000064844793 568971821 /nfs/dbraw/zinc/97/18/21/568971821.db2.gz DXEUHSQDHNRUHR-UHFFFAOYSA-N 0 0 428.448 5.020 50 0 IKAARN Cc1sc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1-c1ccno1 ZINC000064845294 568972080 /nfs/dbraw/zinc/97/20/80/568972080.db2.gz HBHKSCNKSUCRDK-UHFFFAOYSA-N 0 0 431.583 5.057 50 0 IKAARN CCCN(CCC)C(=O)CSC1=NC(C)(C)C=C(C=Cc2ccc(OCC)cc2)N1 ZINC000006750217 568972273 /nfs/dbraw/zinc/97/22/73/568972273.db2.gz RRTLBMMSQNVBIV-FMIVXFBMSA-N 0 0 429.630 5.102 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccco1)C(=O)c1ccccc1F ZINC000036208159 568973136 /nfs/dbraw/zinc/97/31/36/568973136.db2.gz QHUFMUXNXMFZOX-UHFFFAOYSA-N 0 0 447.510 5.763 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CC(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000036208129 568973206 /nfs/dbraw/zinc/97/32/06/568973206.db2.gz GGXGTTLCWWOYAO-UHFFFAOYSA-N 0 0 449.551 5.215 50 0 IKAARN Cc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006751370 568973932 /nfs/dbraw/zinc/97/39/32/568973932.db2.gz BURLILZARURVGL-DKKFBQAASA-N 0 0 425.569 5.815 50 0 biogenic IKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3NC2=O)cc1 ZINC000036209943 568974424 /nfs/dbraw/zinc/97/44/24/568974424.db2.gz JUYIIBFFVRASBR-MISANPTQSA-N 0 0 436.577 5.335 50 0 IKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C(C)C)cc3)c2)c1C ZINC000064867239 568975011 /nfs/dbraw/zinc/97/50/11/568975011.db2.gz AFAPVORSSLBRJX-UHFFFAOYSA-N 0 0 440.565 5.193 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 ZINC000006753161 568975339 /nfs/dbraw/zinc/97/53/39/568975339.db2.gz QFYXLLXJJHKDKX-OAQYLSRUSA-N 0 0 425.532 5.198 50 0 IKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)cc2Cl)CC3)cc1OC ZINC000064868098 568975541 /nfs/dbraw/zinc/97/55/41/568975541.db2.gz OQXXVTQJEFYRSF-UHFFFAOYSA-N 0 0 443.956 5.379 50 0 IKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(Cl)ccc2OC)CC3)cc1 ZINC000064868007 568975575 /nfs/dbraw/zinc/97/55/75/568975575.db2.gz BWRFKKKHDSVBJO-UHFFFAOYSA-N 0 0 443.956 5.461 50 0 IKAARN COC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)=Nc2ccccc2N1 ZINC000064869656 568976322 /nfs/dbraw/zinc/97/63/22/568976322.db2.gz YVVXFNIMXGGSDK-CYBMUJFWSA-N 0 0 429.929 5.003 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(C)c(Cl)c2)=Nc2ccccc2N1 ZINC000064869751 568976515 /nfs/dbraw/zinc/97/65/15/568976515.db2.gz XMLHNCDWCYFKBU-UHFFFAOYSA-N 0 0 443.956 5.313 50 0 IKAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2cccc(C)c2C)=Nc2ccccc2N1 ZINC000064869906 568976532 /nfs/dbraw/zinc/97/65/32/568976532.db2.gz WSLALEVWQKMNCF-KRWDZBQOSA-N 0 0 437.565 5.356 50 0 IKAARN CCCCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)cc1 ZINC000064871896 568977913 /nfs/dbraw/zinc/97/79/13/568977913.db2.gz JJNPHBUYWXMIPX-UHFFFAOYSA-N 0 0 442.606 5.477 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000064871991 568977941 /nfs/dbraw/zinc/97/79/41/568977941.db2.gz ZZZHHKAGNXPSPY-UHFFFAOYSA-N 0 0 428.579 5.005 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1 ZINC000064872662 568978110 /nfs/dbraw/zinc/97/81/10/568978110.db2.gz GHBRXDVXKLDJQW-UHFFFAOYSA-N 0 0 428.580 5.650 50 0 IKAARN Cc1cccc(-c2cc(N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)ncn2)c1 ZINC000064872757 568978119 /nfs/dbraw/zinc/97/81/19/568978119.db2.gz PEOAUZLZPWBLAG-UHFFFAOYSA-N 0 0 428.580 5.108 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000064887889 568978826 /nfs/dbraw/zinc/97/88/26/568978826.db2.gz HFYGOPXHOFDNHZ-UHFFFAOYSA-N 0 0 446.488 5.186 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)c1cccc(C)c1 ZINC000036245860 568981532 /nfs/dbraw/zinc/98/15/32/568981532.db2.gz YLJOWBSEOGQHAD-HSZRJFAPSA-N 0 0 447.579 5.318 50 0 IKAARN COc1ccc(N(Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246237 568981660 /nfs/dbraw/zinc/98/16/60/568981660.db2.gz FHPRWJFTKIMZMH-UHFFFAOYSA-N 0 0 425.550 5.223 50 0 IKAARN COc1cc(OC)cc(N(Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246239 568981720 /nfs/dbraw/zinc/98/17/20/568981720.db2.gz QGGYBJGVOYKACM-UHFFFAOYSA-N 0 0 425.550 5.223 50 0 IKAARN C[C@H](c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036246596 568981913 /nfs/dbraw/zinc/98/19/13/568981913.db2.gz KAARWURPINMPDB-CQSZACIVSA-N 0 0 433.888 5.164 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246871 568982040 /nfs/dbraw/zinc/98/20/40/568982040.db2.gz QLIFQGWHFUZUTR-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000036247082 568982047 /nfs/dbraw/zinc/98/20/47/568982047.db2.gz HFAFHFAZDRQPMQ-UHFFFAOYSA-N 0 0 448.466 5.059 50 0 IKAARN COc1cccc(N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2F)c1 ZINC000036247096 568982057 /nfs/dbraw/zinc/98/20/57/568982057.db2.gz NKSZXAYEEJMXOP-UHFFFAOYSA-N 0 0 439.430 5.249 50 0 IKAARN COc1cc(OC)cc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036247015 568982099 /nfs/dbraw/zinc/98/20/99/568982099.db2.gz LMHUYVYAOGNIQJ-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2OC)c2ccc(C(C)C)cc2)cc1 ZINC000036247561 568982343 /nfs/dbraw/zinc/98/23/43/568982343.db2.gz XLFFODFCSCCJBV-UHFFFAOYSA-N 0 0 425.550 5.223 50 0 IKAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2S[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000036247891 568982387 /nfs/dbraw/zinc/98/23/87/568982387.db2.gz NYCDSYQGKJMODO-ZCNNSNEGSA-N 0 0 449.620 5.023 50 0 IKAARN COc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)[C@@H](C)c2cccc(OC)c2)cc1 ZINC000036247820 568982492 /nfs/dbraw/zinc/98/24/92/568982492.db2.gz TXMURAMXVCXDOC-INIZCTEOSA-N 0 0 431.941 5.314 50 0 IKAARN COc1cc(CN(c2ccccc2)S(=O)(=O)c2cccc(Cl)c2C)cc(OC)c1 ZINC000036248315 568982603 /nfs/dbraw/zinc/98/26/03/568982603.db2.gz GRBHVIBILONZCS-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1cc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)cc(OC)c1 ZINC000036248356 568982625 /nfs/dbraw/zinc/98/26/25/568982625.db2.gz OXQZXFLFQCLTCA-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc(Cl)c2C)cc1OC ZINC000036248485 568982772 /nfs/dbraw/zinc/98/27/72/568982772.db2.gz CDWVUVYTRPDVDN-UHFFFAOYSA-N 0 0 445.968 5.370 50 0 IKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(Cc1ccco1)C(=O)CC(C)C ZINC000036248975 568983003 /nfs/dbraw/zinc/98/30/03/568983003.db2.gz DULLDYOEVRBOFP-UHFFFAOYSA-N 0 0 427.520 5.495 50 0 IKAARN COc1ccc(N([C@H](C)c2ccccc2OC)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248890 568983005 /nfs/dbraw/zinc/98/30/05/568983005.db2.gz SRVKBEOVOSGTEE-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1cccc(N([C@@H](C)c2ccccc2C)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036248642 568983402 /nfs/dbraw/zinc/98/34/02/568983402.db2.gz OSCQDTCVDVKHJW-INIZCTEOSA-N 0 0 433.932 5.753 50 0 IKAARN COc1cccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036248658 568983404 /nfs/dbraw/zinc/98/34/04/568983404.db2.gz JJNYDNVPNJOYHN-SFHVURJKSA-N 0 0 429.969 5.922 50 0 IKAARN COc1cccc(N([C@H](C)c2ccccc2C)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036248641 568983410 /nfs/dbraw/zinc/98/34/10/568983410.db2.gz OSCQDTCVDVKHJW-MRXNPFEDSA-N 0 0 433.932 5.753 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccnc2)n(-c2ccccc2)n1 ZINC000064896618 568983581 /nfs/dbraw/zinc/98/35/81/568983581.db2.gz NDEDLMXZXXTEGF-UHFFFAOYSA-N 0 0 437.272 5.088 50 0 IKAARN O=C(c1ccccc1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H]1CCCO1 ZINC000036249480 568983591 /nfs/dbraw/zinc/98/35/91/568983591.db2.gz AZVDQUWGVSOCIM-HSZRJFAPSA-N 0 0 445.563 5.153 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)c1cccc(F)c1 ZINC000036249622 568983594 /nfs/dbraw/zinc/98/35/94/568983594.db2.gz RKXOMGIIHMVDEO-UHFFFAOYSA-N 0 0 439.556 5.086 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)c2ccccc2Cl)s1 ZINC000064930210 568987914 /nfs/dbraw/zinc/98/79/14/568987914.db2.gz REATZFPNAVHYFD-MRXNPFEDSA-N 0 0 447.347 5.075 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)s1 ZINC000064930211 568988034 /nfs/dbraw/zinc/98/80/34/568988034.db2.gz REATZFPNAVHYFD-INIZCTEOSA-N 0 0 447.347 5.075 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)s1 ZINC000064930157 568988682 /nfs/dbraw/zinc/98/86/82/568988682.db2.gz GQJOQMXOFJBOAS-MRXNPFEDSA-N 0 0 447.347 5.075 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000064930436 568988834 /nfs/dbraw/zinc/98/88/34/568988834.db2.gz VMLXEYVHSCNJHF-QGZVFWFLSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000064930573 568989039 /nfs/dbraw/zinc/98/90/39/568989039.db2.gz OGKAYFRHZDANCL-LJQANCHMSA-N 0 0 435.553 5.085 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)cc1 ZINC000064945441 568992964 /nfs/dbraw/zinc/99/29/64/568992964.db2.gz DGRPTAUDPFDKNU-UHFFFAOYSA-N 0 0 432.593 5.113 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064944080 568993286 /nfs/dbraw/zinc/99/32/86/568993286.db2.gz FLKYSLPIYWLNRK-UHFFFAOYSA-N 0 0 448.017 5.159 50 0 IKAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3cccc(C)c3C)c2s1 ZINC000064944471 568993417 /nfs/dbraw/zinc/99/34/17/568993417.db2.gz LFAPSCFIVYEPFI-UHFFFAOYSA-N 0 0 429.615 5.060 50 0 IKAARN Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 ZINC000064948745 568994425 /nfs/dbraw/zinc/99/44/25/568994425.db2.gz GCCDKKNKTBDEBG-UHFFFAOYSA-N 0 0 429.480 5.571 50 0 IKAARN CSc1ccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949916 568995335 /nfs/dbraw/zinc/99/53/35/568995335.db2.gz IBVCDDWHDKJTRZ-UHFFFAOYSA-N 0 0 446.919 5.478 50 0 IKAARN CSc1cccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)c1 ZINC000064950141 568995730 /nfs/dbraw/zinc/99/57/30/568995730.db2.gz LSWKFRCRNZOECK-UHFFFAOYSA-N 0 0 446.919 5.478 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3c(C[NH2+]CCCc3ccccc3)c2C(=O)[O-])c1 ZINC000006803254 568995958 /nfs/dbraw/zinc/99/59/58/568995958.db2.gz XKVHSGMOUCROQO-UHFFFAOYSA-N 0 0 426.560 5.727 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+][C@H](C)CCc2ccccc2)c1C(=O)[O-] ZINC000006803608 568995960 /nfs/dbraw/zinc/99/59/60/568995960.db2.gz ZWXUOAMUHORXME-OAQYLSRUSA-N 0 0 426.560 5.807 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3c(C[NH2+]C[C@H](C)c3ccccc3)c2C(=O)[O-])c1 ZINC000006803814 568996377 /nfs/dbraw/zinc/99/63/77/568996377.db2.gz WAIMGQXQVFGCQY-NRFANRHFSA-N 0 0 426.560 5.898 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312504 568997737 /nfs/dbraw/zinc/99/77/37/568997737.db2.gz PJWYLOIQEOSLCO-QFIPXVFZSA-N 0 0 445.563 5.072 50 0 IKAARN O=C(c1ccccc1)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312582 568997798 /nfs/dbraw/zinc/99/77/98/568997798.db2.gz JKVVEAHZHYEEGK-UHFFFAOYSA-N 0 0 441.531 5.768 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000036312506 568997847 /nfs/dbraw/zinc/99/78/47/568997847.db2.gz PJWYLOIQEOSLCO-JOCHJYFZSA-N 0 0 445.563 5.072 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3)c(C)c12 ZINC000006808957 568997894 /nfs/dbraw/zinc/99/78/94/568997894.db2.gz SCHQOEYCNCWXIP-UHFFFAOYSA-N 0 0 426.564 5.842 50 0 IKAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C(=O)CC(C)C ZINC000036312807 568997973 /nfs/dbraw/zinc/99/79/73/568997973.db2.gz URGUOKGBKMUVHC-FQEVSTJZSA-N 0 0 427.589 5.132 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCc3ccccc3)c(C)c12 ZINC000006808934 568997990 /nfs/dbraw/zinc/99/79/90/568997990.db2.gz DPMQTFFBPLAYHV-UHFFFAOYSA-N 0 0 426.564 5.212 50 0 IKAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(C(C)C)cc3)C3CCCC3)CC2)cc1 ZINC000036311753 568998312 /nfs/dbraw/zinc/99/83/12/568998312.db2.gz CIGPVEBXLWEFGX-SANMLTNESA-N 0 0 447.623 5.074 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314408 568998473 /nfs/dbraw/zinc/99/84/73/568998473.db2.gz BJXOEYYZVMOLKG-GOSISDBHSA-N 0 0 431.376 5.546 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314409 568998588 /nfs/dbraw/zinc/99/85/88/568998588.db2.gz BJXOEYYZVMOLKG-SFHVURJKSA-N 0 0 431.376 5.546 50 0 IKAARN COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccc(C(C)C)cc4)cc32)c1 ZINC000064955770 568998705 /nfs/dbraw/zinc/99/87/05/568998705.db2.gz HXNHQFAHPJCYPB-IBGZPJMESA-N 0 0 427.548 5.708 50 0 IKAARN CC(C)c1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1 ZINC000064956079 568998743 /nfs/dbraw/zinc/99/87/43/568998743.db2.gz SGDQMTBDZJTWFI-SFHVURJKSA-N 0 0 431.967 6.352 50 0 IKAARN CC(C)c1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955676 568998773 /nfs/dbraw/zinc/99/87/73/568998773.db2.gz AJVPNXIYKXJYHY-GOSISDBHSA-N 0 0 431.967 6.352 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1OCC ZINC000064955976 568998787 /nfs/dbraw/zinc/99/87/87/568998787.db2.gz CRRZIWYDFFUITI-UHFFFAOYSA-N 0 0 443.547 5.120 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000169683128 568999138 /nfs/dbraw/zinc/99/91/38/568999138.db2.gz OXRDWATYMRNBEQ-URLYELCFSA-N 0 0 440.897 5.600 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315459 568999663 /nfs/dbraw/zinc/99/96/63/568999663.db2.gz OHTZVRKTJRZDQS-INIZCTEOSA-N 0 0 448.268 5.713 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C[C@@H](C)O ZINC000036316442 568999893 /nfs/dbraw/zinc/99/98/93/568999893.db2.gz LRRXJKOFCAANLZ-HXUWFJFHSA-N 0 0 431.536 5.203 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccccc3Cl)c2c(NCCC2=CCCCC2)n1 ZINC000064960369 569000197 /nfs/dbraw/zinc/00/01/97/569000197.db2.gz DYLUUKXNZZEMFK-UHFFFAOYSA-N 0 0 426.904 5.417 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccccc3Cl)c2c(Nc2ccc(F)c(F)c2)n1 ZINC000064960370 569000227 /nfs/dbraw/zinc/00/02/27/569000227.db2.gz QRPUIVCLYFQQJL-UHFFFAOYSA-N 0 0 430.798 5.137 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(Cl)cc3)c2c(NCc2cccc(Cl)c2)n1 ZINC000064960213 569000257 /nfs/dbraw/zinc/00/02/57/569000257.db2.gz HGSGHCBAGGJLEK-UHFFFAOYSA-N 0 0 443.290 5.380 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000064960795 569000474 /nfs/dbraw/zinc/00/04/74/569000474.db2.gz WHKRMAOMHCNSBQ-UHFFFAOYSA-N 0 0 445.972 5.082 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000169685700 569000505 /nfs/dbraw/zinc/00/05/05/569000505.db2.gz LLKDIIOWFJDXJK-OZXSUGGESA-N 0 0 430.504 5.345 50 0 IKAARN CCn1cc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c(=O)c2cc(C)ccc21 ZINC000064963710 569000672 /nfs/dbraw/zinc/00/06/72/569000672.db2.gz QZXFQRRUVBFQEW-UHFFFAOYSA-N 0 0 437.499 5.626 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000064967656 569001309 /nfs/dbraw/zinc/00/13/09/569001309.db2.gz ZDGMVRRDOPAFEF-UHFFFAOYSA-N 0 0 429.524 5.084 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)Nc1ccc(F)c(Cl)c1 ZINC000064967144 569001468 /nfs/dbraw/zinc/00/14/68/569001468.db2.gz QLBYACHRSPOLGI-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000064967146 569001487 /nfs/dbraw/zinc/00/14/87/569001487.db2.gz HIHHMPSVBTWZQU-UHFFFAOYSA-N 0 0 427.529 5.816 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000064967200 569001664 /nfs/dbraw/zinc/00/16/64/569001664.db2.gz DSFTUXBJKTZKQV-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3c(C)cccc3C)C2)cc1 ZINC000064967269 569001671 /nfs/dbraw/zinc/00/16/71/569001671.db2.gz LHOQAJHOYJFJIY-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCCCc3ccccc3)C2)cc1 ZINC000064967253 569001681 /nfs/dbraw/zinc/00/16/81/569001681.db2.gz LDFWVLMWUALXQC-UHFFFAOYSA-N 0 0 441.600 6.032 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(C)c3C)C2)cc1 ZINC000064967264 569001712 /nfs/dbraw/zinc/00/17/12/569001712.db2.gz XIQDERYMWKDENW-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN O=C(NCc1ccccc1Br)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968101 569001854 /nfs/dbraw/zinc/00/18/54/569001854.db2.gz QRHSPQGSWYIZIP-UHFFFAOYSA-N 0 0 435.321 5.306 50 0 IKAARN CCSC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000006817176 569001904 /nfs/dbraw/zinc/00/19/04/569001904.db2.gz IEGOFEJJUOJSPJ-UHFFFAOYSA-N 0 0 429.630 5.666 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1)NCc1ccccc1 ZINC000064967355 569001906 /nfs/dbraw/zinc/00/19/06/569001906.db2.gz WLYZUOLDTFMNCF-UHFFFAOYSA-N 0 0 433.964 5.944 50 0 IKAARN C[C@@H](NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000064968106 569076092 /nfs/dbraw/zinc/07/60/92/569076092.db2.gz YCMJFMOGHYZLKS-KVLZVTGASA-N 0 0 428.576 5.948 50 0 IKAARN O=C(NCc1cccc(Br)c1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968194 569076096 /nfs/dbraw/zinc/07/60/96/569076096.db2.gz USEGYBMEXBXVGY-UHFFFAOYSA-N 0 0 435.321 5.306 50 0 IKAARN Fc1ccc(CNc2nc(-c3nnc(-c4cccc(Cl)c4)o3)nc3ccccc32)cc1 ZINC000064969989 569076214 /nfs/dbraw/zinc/07/62/14/569076214.db2.gz UUTFSXWPWUUCOO-UHFFFAOYSA-N 0 0 431.858 5.751 50 0 IKAARN CSc1ccc(CNc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1 ZINC000064969959 569076279 /nfs/dbraw/zinc/07/62/79/569076279.db2.gz HCKCRQPOZPJOHT-UHFFFAOYSA-N 0 0 443.507 5.820 50 0 IKAARN O=C(OCc1ccc(F)c(F)c1)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000064977304 569077035 /nfs/dbraw/zinc/07/70/35/569077035.db2.gz IOHYLNLGMDKWKB-UHFFFAOYSA-N 0 0 425.818 5.279 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nsc2ccccc21 ZINC000064972683 569077057 /nfs/dbraw/zinc/07/70/57/569077057.db2.gz BSWHSAJDIQMTCD-QGZVFWFLSA-N 0 0 429.545 5.300 50 0 IKAARN CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000006821308 569077877 /nfs/dbraw/zinc/07/78/77/569077877.db2.gz LIPPHDMICQMURW-JBCWJZNQSA-N 0 0 435.277 5.379 50 0 IKAARN O=C(Nc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1)c1ccco1 ZINC000064980031 569078236 /nfs/dbraw/zinc/07/82/36/569078236.db2.gz PWNRHUIDMWMPKQ-UHFFFAOYSA-N 0 0 440.463 5.109 50 0 IKAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1)c1ccc(F)c(Cl)c1 ZINC000064979804 569078245 /nfs/dbraw/zinc/07/82/45/569078245.db2.gz QFKGGSHZGMKABR-UHFFFAOYSA-N 0 0 438.911 6.005 50 0 IKAARN O=C(Cc1cccs1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CCCC1 ZINC000064979830 569078290 /nfs/dbraw/zinc/07/82/90/569078290.db2.gz UWFHRUQMNULJDL-UHFFFAOYSA-N 0 0 434.586 5.983 50 0 IKAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CCCC1)c1ccc(F)cc1 ZINC000064979828 569078300 /nfs/dbraw/zinc/07/83/00/569078300.db2.gz FJPJDLRJVUMVLY-UHFFFAOYSA-N 0 0 432.520 6.132 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccc(C)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980202 569078334 /nfs/dbraw/zinc/07/83/34/569078334.db2.gz JGEGRPJVGDUPJV-UHFFFAOYSA-N 0 0 427.529 6.233 50 0 IKAARN CCN1c2ccc(-c3noc(-c4ccc(C)c(F)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980181 569078349 /nfs/dbraw/zinc/07/83/49/569078349.db2.gz LYRQMNWNQGRJEB-UHFFFAOYSA-N 0 0 431.492 5.982 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)ncn5C4CCCC4)no3)CC2=O)cc1C ZINC000064980107 569078403 /nfs/dbraw/zinc/07/84/03/569078403.db2.gz QYONIQRNXSDJDQ-IBGZPJMESA-N 0 0 441.535 5.339 50 0 IKAARN CCN1c2ccc(-c3noc(/C=C/c4cccs4)n3)cc2Sc2ccccc2C1=O ZINC000064980178 569078421 /nfs/dbraw/zinc/07/84/21/569078421.db2.gz UERKWMXADHCCBW-ZRDIBKRKSA-N 0 0 431.542 6.100 50 0 IKAARN CCN1c2ccc(-c3noc(Cc4ccc(Cl)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980158 569078426 /nfs/dbraw/zinc/07/84/26/569078426.db2.gz WLIXQUAHKOFPDR-UHFFFAOYSA-N 0 0 447.947 6.112 50 0 IKAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036340961 569079164 /nfs/dbraw/zinc/07/91/64/569079164.db2.gz RMEUIOVDWIYDHT-XMMPIXPASA-N 0 0 435.930 5.289 50 0 IKAARN O=C(CN1CCc2ccccc2C1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340954 569079183 /nfs/dbraw/zinc/07/91/83/569079183.db2.gz ZBLWWNXGTVWCMK-VWLOTQADSA-N 0 0 447.941 5.215 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036343771 569079761 /nfs/dbraw/zinc/07/97/61/569079761.db2.gz WYFWISGRKKUFRF-SANMLTNESA-N 0 0 443.978 5.384 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036343772 569079775 /nfs/dbraw/zinc/07/97/75/569079775.db2.gz WYFWISGRKKUFRF-AREMUKBSSA-N 0 0 443.978 5.384 50 0 IKAARN O=C(CN1CCc2ccccc2C1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl ZINC000036343726 569079791 /nfs/dbraw/zinc/07/97/91/569079791.db2.gz ZFXOFYRAGUGVCK-VWLOTQADSA-N 0 0 429.951 5.076 50 0 IKAARN O=C(CN1CCc2ccccc2C1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000036343728 569079797 /nfs/dbraw/zinc/07/97/97/569079797.db2.gz ZFXOFYRAGUGVCK-RUZDIDTESA-N 0 0 429.951 5.076 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343895 569079893 /nfs/dbraw/zinc/07/98/93/569079893.db2.gz NJTJXVQCMNXOEG-SANMLTNESA-N 0 0 445.994 5.767 50 0 IKAARN CCOc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036344112 569080086 /nfs/dbraw/zinc/08/00/86/569080086.db2.gz RJGJRMPIMRJNAD-MHZLTWQESA-N 0 0 441.575 5.203 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344671 569080198 /nfs/dbraw/zinc/08/01/98/569080198.db2.gz VRBGAZFPMHESPR-MUUNZHRXSA-N 0 0 439.603 5.730 50 0 IKAARN Cc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCc2ccccc2C1 ZINC000036344894 569080407 /nfs/dbraw/zinc/08/04/07/569080407.db2.gz KJJTWKIUXUJKMQ-AREMUKBSSA-N 0 0 443.978 5.384 50 0 IKAARN COc1ccccc1[C@H]1CC(c2cc(C)ccc2C)=NN1C(=O)CN(C)c1ccccc1 ZINC000036345370 569080579 /nfs/dbraw/zinc/08/05/79/569080579.db2.gz MJWHUWXAUYOXQB-RUZDIDTESA-N 0 0 427.548 5.126 50 0 IKAARN COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)Cc2ccccc2)c1 ZINC000036345673 569080581 /nfs/dbraw/zinc/08/05/81/569080581.db2.gz QBKPNMCBUBPTJP-MHZLTWQESA-N 0 0 441.575 5.122 50 0 IKAARN COc1ccc(-n2nc(C(C)C)c(CN(C[C@@H](C)O)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346487 569081192 /nfs/dbraw/zinc/08/11/92/569081192.db2.gz GVVCHNKEVAALHX-LJQANCHMSA-N 0 0 435.568 5.142 50 0 IKAARN COc1ccc(-n2nc(C(C)C)c(CN(C[C@H](C)O)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346488 569081353 /nfs/dbraw/zinc/08/13/53/569081353.db2.gz GVVCHNKEVAALHX-IBGZPJMESA-N 0 0 435.568 5.142 50 0 IKAARN FC(F)(F)c1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347482 569081557 /nfs/dbraw/zinc/08/15/57/569081557.db2.gz BDRATFBZLQZVPY-NRFANRHFSA-N 0 0 439.308 6.809 50 0 IKAARN FC(F)(F)c1cccc(CN2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347483 569081627 /nfs/dbraw/zinc/08/16/27/569081627.db2.gz BDRATFBZLQZVPY-OAQYLSRUSA-N 0 0 439.308 6.809 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000036347865 569081704 /nfs/dbraw/zinc/08/17/04/569081704.db2.gz ALVKVOIHRDEAKZ-RUZDIDTESA-N 0 0 448.607 5.807 50 0 IKAARN Fc1ccc(F)c(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347902 569081777 /nfs/dbraw/zinc/08/17/77/569081777.db2.gz PMYLIEUKQVQSJO-MHZLTWQESA-N 0 0 430.498 6.554 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989293 569083022 /nfs/dbraw/zinc/08/30/22/569083022.db2.gz RCTPRBRCSNNCIC-UHFFFAOYSA-N 0 0 436.515 5.788 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989532 569083051 /nfs/dbraw/zinc/08/30/51/569083051.db2.gz GIFXVBSJFHSFNU-UHFFFAOYSA-N 0 0 436.515 5.788 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)c(Cl)c4)cc32)cc1 ZINC000064990317 569083270 /nfs/dbraw/zinc/08/32/70/569083270.db2.gz SSPZXSZZQAHEDK-UHFFFAOYSA-N 0 0 437.902 5.312 50 0 IKAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1ccccc1C(F)(F)F ZINC000064990424 569083377 /nfs/dbraw/zinc/08/33/77/569083377.db2.gz GXXRGXZUKFOKJY-UHFFFAOYSA-N 0 0 439.437 5.230 50 0 IKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1Cl ZINC000064990508 569083383 /nfs/dbraw/zinc/08/33/83/569083383.db2.gz KEIVVQBCXTYXII-QGZVFWFLSA-N 0 0 433.939 5.562 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2 ZINC000064990839 569083476 /nfs/dbraw/zinc/08/34/76/569083476.db2.gz COBQUGVHQQTIFW-UHFFFAOYSA-N 0 0 449.938 5.182 50 0 IKAARN CC(C)c1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)c1 ZINC000036349782 569083812 /nfs/dbraw/zinc/08/38/12/569083812.db2.gz UJJIESMUZDACEB-UHFFFAOYSA-N 0 0 446.538 7.827 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000036352224 569083904 /nfs/dbraw/zinc/08/39/04/569083904.db2.gz COEVEHAWLCVMMA-DHLKQENFSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(OC)c2)cc1 ZINC000036352250 569084011 /nfs/dbraw/zinc/08/40/11/569084011.db2.gz HAOLSZMHWDKLOT-BVAGGSTKSA-N 0 0 430.504 5.345 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036354536 569084188 /nfs/dbraw/zinc/08/41/88/569084188.db2.gz JHZGSKUWSPEUID-DEOSSOPVSA-N 0 0 428.507 5.199 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036354534 569084242 /nfs/dbraw/zinc/08/42/42/569084242.db2.gz JHZGSKUWSPEUID-XMMPIXPASA-N 0 0 428.507 5.199 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)c3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006836369 569084847 /nfs/dbraw/zinc/08/48/47/569084847.db2.gz ICZKWZVDZODJTM-UQBPGWFLSA-N 0 0 426.560 6.138 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)c3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006836370 569084883 /nfs/dbraw/zinc/08/48/83/569084883.db2.gz ICZKWZVDZODJTM-CLOONOSVSA-N 0 0 426.560 6.138 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4cccc(C)c4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000516 569086010 /nfs/dbraw/zinc/08/60/10/569086010.db2.gz CTQIENXYPFASDZ-UHFFFAOYSA-N 0 0 428.532 5.170 50 0 IKAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)Nc3ccccc3F)c2C1 ZINC000065000839 569086055 /nfs/dbraw/zinc/08/60/55/569086055.db2.gz RTPXKBXVHHDTKG-UHFFFAOYSA-N 0 0 438.886 5.037 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999533 569086165 /nfs/dbraw/zinc/08/61/65/569086165.db2.gz DVSRIVCXVIBOLZ-UHFFFAOYSA-N 0 0 446.981 5.105 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)c(C)c1 ZINC000064999556 569086167 /nfs/dbraw/zinc/08/61/67/569086167.db2.gz MRLHNZXGFJQYDO-UHFFFAOYSA-N 0 0 440.590 5.069 50 0 IKAARN CCN(C(=O)c1c2c(cn(-c3ccc(Cl)cc3)c1=O)C(=O)CC(C)(C)C2)c1ccccc1 ZINC000065000916 569086180 /nfs/dbraw/zinc/08/61/80/569086180.db2.gz ACQFBTLDAYLNGW-UHFFFAOYSA-N 0 0 448.950 5.313 50 0 IKAARN C[C@H](C(=O)NC1CCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005578 569087111 /nfs/dbraw/zinc/08/71/11/569087111.db2.gz OVCMAFDMLKVSQD-SFHVURJKSA-N 0 0 445.563 5.042 50 0 IKAARN CCCCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006117 569087291 /nfs/dbraw/zinc/08/72/91/569087291.db2.gz BGGKLPUHCXQGDX-LJQANCHMSA-N 0 0 447.579 5.208 50 0 IKAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCc4ccc(C(C)C)cc4)C3)nc2)cc1 ZINC000065023402 569089353 /nfs/dbraw/zinc/08/93/53/569089353.db2.gz DGKXYRKLQCEMBF-DEOSSOPVSA-N 0 0 428.580 5.108 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)cc1 ZINC000065023781 569089466 /nfs/dbraw/zinc/08/94/66/569089466.db2.gz JDTSTVNMDPRZAV-UHFFFAOYSA-N 0 0 428.580 5.650 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(Cl)cc1)CC(SCC(=O)NCCC(C)C)=N2 ZINC000065026569 569089802 /nfs/dbraw/zinc/08/98/02/569089802.db2.gz QLEMCEVXYHLXDK-UHFFFAOYSA-N 0 0 442.028 6.407 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCC4CCCCC4)no3)cc2)c1 ZINC000065027156 569090312 /nfs/dbraw/zinc/09/03/12/569090312.db2.gz MYGWCFFCZRRZBH-UHFFFAOYSA-N 0 0 447.535 5.124 50 0 IKAARN O=C(NCCCc1ccccc1)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025062 569090429 /nfs/dbraw/zinc/09/04/29/569090429.db2.gz OVBQCLCECBBSNK-UHFFFAOYSA-N 0 0 428.536 5.119 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)cc1 ZINC000065025795 569090757 /nfs/dbraw/zinc/09/07/57/569090757.db2.gz LHUDTYLJJWXIIU-UHFFFAOYSA-N 0 0 432.593 5.540 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025583 569090758 /nfs/dbraw/zinc/09/07/58/569090758.db2.gz HUDPWDONPAXMTN-UHFFFAOYSA-N 0 0 434.971 5.514 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1Cl ZINC000065029693 569090959 /nfs/dbraw/zinc/09/09/59/569090959.db2.gz VTXOPHVHNIKECA-UHFFFAOYSA-N 0 0 444.894 5.289 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)c1 ZINC000065026376 569090968 /nfs/dbraw/zinc/09/09/68/569090968.db2.gz SQBMPCYNUSKGJQ-UHFFFAOYSA-N 0 0 441.600 6.847 50 0 IKAARN O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)Nc1ccc(Br)cc1F ZINC000065029698 569090977 /nfs/dbraw/zinc/09/09/77/569090977.db2.gz NSJDKHNQHZHAKP-UHFFFAOYSA-N 0 0 447.283 5.520 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccccc3C)cc21 ZINC000065033964 569091705 /nfs/dbraw/zinc/09/17/05/569091705.db2.gz MAPJDKWJUFDINL-UHFFFAOYSA-N 0 0 426.472 5.014 50 0 IKAARN COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000065033977 569091724 /nfs/dbraw/zinc/09/17/24/569091724.db2.gz PLFDBUPCJYMMQJ-UHFFFAOYSA-N 0 0 426.472 5.014 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000065033941 569091760 /nfs/dbraw/zinc/09/17/60/569091760.db2.gz GLGZAUOSKLBEBT-UHFFFAOYSA-N 0 0 430.435 5.421 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000065031688 569091768 /nfs/dbraw/zinc/09/17/68/569091768.db2.gz BILGBTMHZCHYCQ-HNNXBMFYSA-N 0 0 433.895 5.365 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)C1CCCCC1 ZINC000006860740 569091802 /nfs/dbraw/zinc/09/18/02/569091802.db2.gz UBVOOKYEOPQYPN-UHFFFAOYSA-N 0 0 448.592 5.459 50 0 IKAARN CCc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000006860733 569091829 /nfs/dbraw/zinc/09/18/29/569091829.db2.gz NHMBFDGAKVGZIN-UHFFFAOYSA-N 0 0 439.993 6.305 50 0 IKAARN CCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000065034266 569091880 /nfs/dbraw/zinc/09/18/80/569091880.db2.gz PRXYOJNLAGINCC-UHFFFAOYSA-N 0 0 436.483 5.112 50 0 IKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000065033850 569091943 /nfs/dbraw/zinc/09/19/43/569091943.db2.gz YSJXPLDPQMTETL-UHFFFAOYSA-N 0 0 432.863 5.545 50 0 IKAARN Cc1ccc2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc(N3CCCCC3)c2c1 ZINC000065034407 569091944 /nfs/dbraw/zinc/09/19/44/569091944.db2.gz OPJLXNXAXHOIOA-UHFFFAOYSA-N 0 0 429.442 5.684 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)cc1 ZINC000065036643 569092577 /nfs/dbraw/zinc/09/25/77/569092577.db2.gz XORHKUQKBDXFAB-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)ncn2)c1 ZINC000065036690 569092586 /nfs/dbraw/zinc/09/25/86/569092586.db2.gz WSUOWGITUDXGNS-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)ncn1 ZINC000065036653 569092609 /nfs/dbraw/zinc/09/26/09/569092609.db2.gz XVHOIPYYYGUSLG-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1 ZINC000065036715 569092738 /nfs/dbraw/zinc/09/27/38/569092738.db2.gz DAUBGECPNIJLQK-UHFFFAOYSA-N 0 0 429.907 5.562 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)ncn1 ZINC000065036761 569092805 /nfs/dbraw/zinc/09/28/05/569092805.db2.gz WHDRTUZPGXLAJN-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN O=C(Nc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055048 569094823 /nfs/dbraw/zinc/09/48/23/569094823.db2.gz YXTUXFBKHGBPPN-UHFFFAOYSA-N 0 0 447.485 6.846 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)cn2)cc1 ZINC000065057670 569095194 /nfs/dbraw/zinc/09/51/94/569095194.db2.gz LYQKEFQKROGJQW-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)N[C@H](C)c4ccc(C)cc4)cc3)cn2)cc1 ZINC000065057701 569095206 /nfs/dbraw/zinc/09/52/06/569095206.db2.gz BXXAJJPQJVQWLP-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)cn2)cc1 ZINC000065057663 569095279 /nfs/dbraw/zinc/09/52/79/569095279.db2.gz HEWSCZXGQMFIBY-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)c1 ZINC000065057848 569095330 /nfs/dbraw/zinc/09/53/30/569095330.db2.gz RWRVBSDAQAMFQW-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN COc1cccc(NC(=O)c2cccc(-c3cnc(Oc4cccc(OC)c4)nc3)c2)c1 ZINC000065057956 569095339 /nfs/dbraw/zinc/09/53/39/569095339.db2.gz LSHQCAYKSHGZFN-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)N[C@H](C)c4ccc(C)cc4)cc3)cn2)c1 ZINC000065057785 569095374 /nfs/dbraw/zinc/09/53/74/569095374.db2.gz SNFCRDCAJJDFFN-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1 ZINC000065057832 569095386 /nfs/dbraw/zinc/09/53/86/569095386.db2.gz QPVBKLYFSTWMIR-GOSISDBHSA-N 0 0 427.479 5.874 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1Cl ZINC000065058009 569095394 /nfs/dbraw/zinc/09/53/94/569095394.db2.gz CTUQAABSYVKUNZ-UHFFFAOYSA-N 0 0 433.870 6.289 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccccc4C)c3)cn2)c1 ZINC000065057988 569095485 /nfs/dbraw/zinc/09/54/85/569095485.db2.gz QJOHXFGISCGXRE-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN CCN1c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000169766644 569097216 /nfs/dbraw/zinc/09/72/16/569097216.db2.gz XSVRLSCGGYYIKM-VWLOTQADSA-N 0 0 441.531 5.523 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000036391334 569097272 /nfs/dbraw/zinc/09/72/72/569097272.db2.gz CPKOFJMWZLTIJF-HSZRJFAPSA-N 0 0 433.552 5.197 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(C(=O)NCc4ccc(OC(C)C)cc4)s3)no2)cc1 ZINC000065062911 569097566 /nfs/dbraw/zinc/09/75/66/569097566.db2.gz JECQJBIUYVRYDK-UHFFFAOYSA-N 0 0 449.532 5.191 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)cc1OC ZINC000065063172 569097681 /nfs/dbraw/zinc/09/76/81/569097681.db2.gz LLIIMOGORGKJII-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000065063216 569097741 /nfs/dbraw/zinc/09/77/41/569097741.db2.gz POQYSQVRICBDIG-GOSISDBHSA-N 0 0 427.479 5.874 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)cc1 ZINC000065063180 569097743 /nfs/dbraw/zinc/09/77/43/569097743.db2.gz DKJFSWIMWKEFKY-UHFFFAOYSA-N 0 0 441.556 5.896 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)ncn2)cc1 ZINC000065063283 569097924 /nfs/dbraw/zinc/09/79/24/569097924.db2.gz JRMVJNGSWCXBHF-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN Cc1nnc(CNc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)o1 ZINC000036395699 569098900 /nfs/dbraw/zinc/09/89/00/569098900.db2.gz DAUYBPANQBOLQQ-UHFFFAOYSA-N 0 0 443.985 5.429 50 0 IKAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000065074945 569099259 /nfs/dbraw/zinc/09/92/59/569099259.db2.gz OIEMCNKDQQQLPG-MUUNZHRXSA-N 0 0 442.559 5.097 50 0 IKAARN C[C@H](Sc1ncnc2c1cnn2C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000036397053 569100077 /nfs/dbraw/zinc/10/00/77/569100077.db2.gz QHCBNYLFJVWPFW-AWEZNQCLSA-N 0 0 434.956 5.268 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(Cl)cc4C)csc3n2)cc1OC ZINC000065079414 569100847 /nfs/dbraw/zinc/10/08/47/569100847.db2.gz UZFCSIPDMBSGQB-UHFFFAOYSA-N 0 0 441.940 5.223 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)cc1 ZINC000065079681 569100912 /nfs/dbraw/zinc/10/09/12/569100912.db2.gz YEDGFNVUURSCEZ-UHFFFAOYSA-N 0 0 433.533 5.038 50 0 IKAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1C ZINC000036397635 569101063 /nfs/dbraw/zinc/10/10/63/569101063.db2.gz FHAZQYBRHYTXFB-HSZRJFAPSA-N 0 0 438.572 5.163 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000036397606 569101114 /nfs/dbraw/zinc/10/11/14/569101114.db2.gz SWVBYUFPIITSDP-INIZCTEOSA-N 0 0 429.495 5.288 50 0 IKAARN COc1ccc(NC(=O)Cc2csc3nc(-c4cccc(Br)c4)cn23)cc1 ZINC000065079732 569101128 /nfs/dbraw/zinc/10/11/28/569101128.db2.gz RFDCDHCXCUTIEU-UHFFFAOYSA-N 0 0 442.338 5.015 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(N3CCC[C@H](C(=O)Nc4ccccc4C)C3)sc12 ZINC000065081100 569101209 /nfs/dbraw/zinc/10/12/09/569101209.db2.gz JJZXFJZOKFWKPE-KRWDZBQOSA-N 0 0 449.555 5.093 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4c(C)cccc4C)C3)sc12 ZINC000065081269 569101335 /nfs/dbraw/zinc/10/13/35/569101335.db2.gz HWHFLWDACAERNC-IBGZPJMESA-N 0 0 445.592 5.262 50 0 IKAARN O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772732 569101687 /nfs/dbraw/zinc/10/16/87/569101687.db2.gz FKUOMSZYHJFUEX-SANMLTNESA-N 0 0 438.571 5.098 50 0 IKAARN C[C@@H](NC(=O)[C@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1)c1ccccc1 ZINC000065082758 569102377 /nfs/dbraw/zinc/10/23/77/569102377.db2.gz PQYSMRMZEVTLFK-OXQOHEQNSA-N 0 0 434.923 5.021 50 0 IKAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000065085201 569102723 /nfs/dbraw/zinc/10/27/23/569102723.db2.gz XYJZKXJXJFLHPG-UHFFFAOYSA-N 0 0 425.453 5.160 50 0 IKAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000065085367 569102755 /nfs/dbraw/zinc/10/27/55/569102755.db2.gz AZUMFQFNJZTCII-UHFFFAOYSA-N 0 0 425.453 5.160 50 0 IKAARN CCN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169780417 569102987 /nfs/dbraw/zinc/10/29/87/569102987.db2.gz OZSCZXOWKYAICV-HXUWFJFHSA-N 0 0 447.457 5.020 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000169780881 569103068 /nfs/dbraw/zinc/10/30/68/569103068.db2.gz SPGPRVPZZNBKDR-ZBTFPREESA-N 0 0 449.620 5.371 50 0 IKAARN O=C(Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1)c1ccc(C(F)(F)F)cc1 ZINC000065096479 569103559 /nfs/dbraw/zinc/10/35/59/569103559.db2.gz VOEQKHOVYJMPRP-UHFFFAOYSA-N 0 0 449.392 5.341 50 0 IKAARN CCc1nnc2c(Oc3cccc(NC(=O)c4ccccc4F)c3)nc3ccccc3n12 ZINC000065096482 569103573 /nfs/dbraw/zinc/10/35/73/569103573.db2.gz ZUOOXHOKVXUVIG-UHFFFAOYSA-N 0 0 427.439 5.024 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)CC1 ZINC000065097772 569104028 /nfs/dbraw/zinc/10/40/28/569104028.db2.gz UKRAFBAUXHJZIK-UHFFFAOYSA-N 0 0 431.927 5.087 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000169784531 569105161 /nfs/dbraw/zinc/10/51/61/569105161.db2.gz OGSNZCWXZMEMQV-HHFIFDNYSA-N 0 0 447.579 5.211 50 0 IKAARN Cc1cc(NC(=O)CSc2nccnc2Oc2ccccc2)ccc1Br ZINC000065111072 569106216 /nfs/dbraw/zinc/10/62/16/569106216.db2.gz IOGKDRLHJJRRKK-UHFFFAOYSA-N 0 0 430.327 5.071 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)cc1Cl ZINC000065102389 569106014 /nfs/dbraw/zinc/10/60/14/569106014.db2.gz WHUPHNYWCQYVFC-UHFFFAOYSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000065102694 569106060 /nfs/dbraw/zinc/10/60/60/569106060.db2.gz RQWACFMWRXXZIA-UHFFFAOYSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000065102423 569106073 /nfs/dbraw/zinc/10/60/73/569106073.db2.gz DMFCYYSONGYYDU-UHFFFAOYSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000065102464 569106079 /nfs/dbraw/zinc/10/60/79/569106079.db2.gz CAUQPUSCDSJZMF-UHFFFAOYSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000065102472 569106122 /nfs/dbraw/zinc/10/61/22/569106122.db2.gz WUPZZUMEXBWTDU-IBGZPJMESA-N 0 0 432.593 5.030 50 0 IKAARN COc1ccc(C)cc1NC(=O)C1CCN(c2nccnc2Sc2ccc(C)cc2)CC1 ZINC000065102534 569106124 /nfs/dbraw/zinc/10/61/24/569106124.db2.gz GYGPWXJXGZZZPX-UHFFFAOYSA-N 0 0 448.592 5.108 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000065102474 569106129 /nfs/dbraw/zinc/10/61/29/569106129.db2.gz WUPZZUMEXBWTDU-LJQANCHMSA-N 0 0 432.593 5.030 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000065102462 569106146 /nfs/dbraw/zinc/10/61/46/569106146.db2.gz QHOUVNMXVVTZHJ-UHFFFAOYSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000065102519 569106152 /nfs/dbraw/zinc/10/61/52/569106152.db2.gz MBIQCUWTJOXRPF-UHFFFAOYSA-N 0 0 436.625 5.159 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(C)c(C)c3)C2)cc1 ZINC000065111238 569106314 /nfs/dbraw/zinc/10/63/14/569106314.db2.gz ZJOPLVGITMANIE-JTHBVZDNSA-N 0 0 444.579 5.288 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(C)cc3C)C2)cc1 ZINC000065111234 569106324 /nfs/dbraw/zinc/10/63/24/569106324.db2.gz QXGOSPCQILIKKQ-FCHUYYIVSA-N 0 0 444.579 5.288 50 0 IKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000065114686 569106584 /nfs/dbraw/zinc/10/65/84/569106584.db2.gz DLQDBXDWCGIXOH-UHFFFAOYSA-N 0 0 440.547 5.743 50 0 IKAARN O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000065114719 569106599 /nfs/dbraw/zinc/10/65/99/569106599.db2.gz JRKGTLXJNZQXFN-UHFFFAOYSA-N 0 0 438.531 5.060 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000065114543 569106602 /nfs/dbraw/zinc/10/66/02/569106602.db2.gz WFVNVRANCQXRBA-AWEZNQCLSA-N 0 0 428.458 5.573 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1 ZINC000006913283 569106848 /nfs/dbraw/zinc/10/68/48/569106848.db2.gz FVGCZKQYHIFSRA-UHFFFAOYSA-N 0 0 426.560 5.678 50 0 IKAARN COc1cccc(N(Cc2nc(-c3ccc(C)cc3)oc2C)S(=O)(=O)c2ccccc2)c1 ZINC000065115530 569106862 /nfs/dbraw/zinc/10/68/62/569106862.db2.gz ZVFRBAIRKKBSHR-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 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569110359 /nfs/dbraw/zinc/11/03/59/569110359.db2.gz BZYHSUONVRQYNU-QGZVFWFLSA-N 0 0 433.474 5.046 50 0 IKAARN CCn1nccc1-c1cccc(-c2noc(-c3cccc(NC(=O)c4ccco4)c3)n2)c1 ZINC000065137317 569110445 /nfs/dbraw/zinc/11/04/45/569110445.db2.gz QFDOROGWGKRFBG-UHFFFAOYSA-N 0 0 425.448 5.132 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nccc(N3CCc4ccccc4C3)n2)cc1 ZINC000065151439 569111725 /nfs/dbraw/zinc/11/17/25/569111725.db2.gz ZRTKYJBGWDTCRX-UHFFFAOYSA-N 0 0 432.593 5.113 50 0 IKAARN Cc1cccc(NC(=O)CSc2nccc(N3CCC(Cc4ccccc4)CC3)n2)c1C ZINC000065151273 569111794 /nfs/dbraw/zinc/11/17/94/569111794.db2.gz MAANUFQOHFVDFR-UHFFFAOYSA-N 0 0 446.620 5.283 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccc(N3CCC(Cc4ccccc4)CC3)n2)c(C)c1 ZINC000065151275 569111819 /nfs/dbraw/zinc/11/18/19/569111819.db2.gz SLFRUOHGPSQIKZ-UHFFFAOYSA-N 0 0 446.620 5.283 50 0 IKAARN Cc1ccc(C)c(OCc2nnc(SCCCOc3ccc(C(C)(C)C)cc3)o2)c1 ZINC000006936090 569111912 /nfs/dbraw/zinc/11/19/12/569111912.db2.gz MBQPTXYIGQLVPB-UHFFFAOYSA-N 0 0 426.582 6.124 50 0 IKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153696 569112099 /nfs/dbraw/zinc/11/20/99/569112099.db2.gz TYDWKIBAUWGPQR-UHFFFAOYSA-N 0 0 434.421 5.154 50 0 IKAARN O=C(Nc1ccccc1Br)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153689 569112129 /nfs/dbraw/zinc/11/21/29/569112129.db2.gz RHVYIDJKDHIRCL-UHFFFAOYSA-N 0 0 431.293 5.220 50 0 IKAARN Cc1ccc(-c2ncc(C(=O)Nc3ccccc3Br)c(-c3ccncc3)n2)cc1 ZINC000065153859 569112220 /nfs/dbraw/zinc/11/22/20/569112220.db2.gz POWSHIKRSTYDEA-UHFFFAOYSA-N 0 0 445.320 5.529 50 0 IKAARN Cc1oc(-c2ccccc2Cl)nc1CN1c2ccccc2[C@@](O)(c2ccccc2)C1=O ZINC000065155556 569112504 /nfs/dbraw/zinc/11/25/04/569112504.db2.gz SDGOLFJICUKHCK-VWLOTQADSA-N 0 0 430.891 5.086 50 0 IKAARN Cc1cccc(Oc2cc(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)ncn2)c1C ZINC000065183123 569113730 /nfs/dbraw/zinc/11/37/30/569113730.db2.gz NWODMVUIAINFIO-UHFFFAOYSA-N 0 0 444.579 5.864 50 0 IKAARN Cc1cccc(Oc2cc(N3CCC(C(=O)Nc4ccc(F)c(C)c4)CC3)ncn2)c1C ZINC000065183131 569113758 /nfs/dbraw/zinc/11/37/58/569113758.db2.gz PWKCICNDPVPDKQ-UHFFFAOYSA-N 0 0 434.515 5.188 50 0 IKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)s2)c1 ZINC000065184822 569114019 /nfs/dbraw/zinc/11/40/19/569114019.db2.gz HBRHXPYQQJMURX-UHFFFAOYSA-N 0 0 431.517 6.248 50 0 IKAARN Fc1ccc(-c2nnc(Cc3nc(-c4ccccc4OCc4ccccc4)no3)o2)cc1 ZINC000065185498 569114239 /nfs/dbraw/zinc/11/42/39/569114239.db2.gz YBOLTSOGYWPSEN-UHFFFAOYSA-N 0 0 428.423 5.096 50 0 IKAARN Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4OCc4ccccc4)no3)o2)cc1F ZINC000065185530 569114272 /nfs/dbraw/zinc/11/42/72/569114272.db2.gz SSTGKCDXZNDHHG-UHFFFAOYSA-N 0 0 442.450 5.404 50 0 IKAARN O=C(CSc1cc(-c2nc(-c3ccccc3)no2)ccn1)Nc1ccc(F)cc1Cl ZINC000065185603 569114375 /nfs/dbraw/zinc/11/43/75/569114375.db2.gz AIYQICRDKMXLIR-UHFFFAOYSA-N 0 0 440.887 5.322 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(CC)cc3)c21 ZINC000006974110 569114878 /nfs/dbraw/zinc/11/48/78/569114878.db2.gz NTQSCRBEVKRNFG-UHFFFAOYSA-N 0 0 426.564 6.083 50 0 IKAARN Cc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1C1CCCCC1 ZINC000013115731 569116603 /nfs/dbraw/zinc/11/66/03/569116603.db2.gz QBPMWFVOYYIREJ-DEOSSOPVSA-N 0 0 430.577 6.289 50 0 IKAARN O=C(Nc1ccsc1-c1nc(-c2cccc(F)c2)no1)c1ccccc1Br ZINC000065219342 569117145 /nfs/dbraw/zinc/11/71/45/569117145.db2.gz MXOFCLJXZFYKFX-UHFFFAOYSA-N 0 0 444.285 5.619 50 0 IKAARN Cc1cccc(-c2noc(-c3sccc3NC(=O)c3ccc(Br)o3)n2)c1 ZINC000065219232 569117179 /nfs/dbraw/zinc/11/71/79/569117179.db2.gz GPFYPIFHQMPYAQ-UHFFFAOYSA-N 0 0 430.283 5.381 50 0 IKAARN O=C(Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1)c1cc(Cl)ccc1F ZINC000065219437 569117271 /nfs/dbraw/zinc/11/72/71/569117271.db2.gz IKHCCMHCJRIZCQ-UHFFFAOYSA-N 0 0 435.814 5.788 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccsc2-c2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000065219424 569117307 /nfs/dbraw/zinc/11/73/07/569117307.db2.gz LOVDFJMAFUWAFX-UHFFFAOYSA-N 0 0 441.459 5.323 50 0 IKAARN CC(=O)Nc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000065219204 569117364 /nfs/dbraw/zinc/11/73/64/569117364.db2.gz LFYBEHAXATZEKD-UHFFFAOYSA-N 0 0 438.896 5.329 50 0 IKAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000065219202 569117379 /nfs/dbraw/zinc/11/73/79/569117379.db2.gz HMBCVXUFMLCAMU-UHFFFAOYSA-N 0 0 425.897 5.688 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 ZINC000036559060 569117692 /nfs/dbraw/zinc/11/76/92/569117692.db2.gz IVDDGYDRBFYMBD-UHFFFAOYSA-N 0 0 447.368 5.896 50 0 IKAARN Cc1oc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc1Cn1cccn1 ZINC000065232392 569118995 /nfs/dbraw/zinc/11/89/95/569118995.db2.gz LLCMQLISQAKFFW-UHFFFAOYSA-N 0 0 426.398 5.166 50 0 IKAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4OC(=O)c4ccccc4)[C@H]3CC[C@H]2C1 ZINC000253497468 569119936 /nfs/dbraw/zinc/11/99/36/569119936.db2.gz MCVIVMYFDOKJSH-JAKRLVLGSA-N 0 0 438.608 6.186 50 0 IKAARN CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253498415 569120802 /nfs/dbraw/zinc/12/08/02/569120802.db2.gz CCORPVHYPHHRKB-MMDNQHQTSA-N 0 0 442.728 8.350 50 0 biogenic IKAARN C[C@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000036596529 569121429 /nfs/dbraw/zinc/12/14/29/569121429.db2.gz MTZKOBDCISCBKC-WZONZLPQSA-N 0 0 443.503 5.084 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3nc(-c4ccccc4)cs3)c12 ZINC000036616324 569122740 /nfs/dbraw/zinc/12/27/40/569122740.db2.gz OCBHAVNAQMWOEI-UHFFFAOYSA-N 0 0 425.517 5.413 50 0 IKAARN Cc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000036611543 569123451 /nfs/dbraw/zinc/12/34/51/569123451.db2.gz VNBWAKZIPMFLQT-UHFFFAOYSA-N 0 0 441.789 7.842 50 0 IKAARN COc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cccc3)c2)cc1COc1cccc(C)c1 ZINC000036611237 569123481 /nfs/dbraw/zinc/12/34/81/569123481.db2.gz QMFJAXNDUBBJIG-NRFANRHFSA-N 0 0 440.543 5.864 50 0 IKAARN Cc1nc(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)n(C2CCCC2)c1C ZINC000007030996 569123495 /nfs/dbraw/zinc/12/34/95/569123495.db2.gz SWGRPOOQACLXJJ-JOCHJYFZSA-N 0 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426.520 5.037 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(-c5csc(C6CC6)n5)cc4)no3)CC2=O)cc1 ZINC000065320211 569136032 /nfs/dbraw/zinc/13/60/32/569136032.db2.gz PPUABCDVJWSVGX-IBGZPJMESA-N 0 0 442.544 5.566 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000065320757 569136233 /nfs/dbraw/zinc/13/62/33/569136233.db2.gz ZQBGPDQVKQUGBF-LJQANCHMSA-N 0 0 445.972 5.149 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000065320888 569136343 /nfs/dbraw/zinc/13/63/43/569136343.db2.gz QNLQYQDAHADJDT-IBGZPJMESA-N 0 0 431.945 5.039 50 0 IKAARN Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)Nc4ccccc4)ccc3n2)cc1 ZINC000065320925 569136355 /nfs/dbraw/zinc/13/63/55/569136355.db2.gz BKUUZOTWOUHLER-UHFFFAOYSA-N 0 0 438.531 5.691 50 0 IKAARN COc1ccc2ccccc2c1CCC(=O)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000238816372 569136460 /nfs/dbraw/zinc/13/64/60/569136460.db2.gz BOGVGSYBVVBTFS-UHFFFAOYSA-N 0 0 440.543 5.399 50 0 IKAARN CSc1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000065322662 569136711 /nfs/dbraw/zinc/13/67/11/569136711.db2.gz RUHNFIHWFRRWHF-UHFFFAOYSA-N 0 0 443.576 5.488 50 0 IKAARN COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000065322593 569136777 /nfs/dbraw/zinc/13/67/77/569136777.db2.gz AGEVAGHODSILGP-UHFFFAOYSA-N 0 0 449.514 5.079 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(C)cc1 ZINC000065329833 569136871 /nfs/dbraw/zinc/13/68/71/569136871.db2.gz DGVLFELDJIHRCB-UHFFFAOYSA-N 0 0 434.609 5.041 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(NCc3cccc(C)c3)n2c1C ZINC000065330034 569137016 /nfs/dbraw/zinc/13/70/16/569137016.db2.gz GBGBQXFGKYBTLZ-UHFFFAOYSA-N 0 0 435.549 5.477 50 0 IKAARN O=C(Nc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1ccccc1C(F)(F)F ZINC000065330171 569137039 /nfs/dbraw/zinc/13/70/39/569137039.db2.gz ITJFGCIYTKFPHS-UHFFFAOYSA-N 0 0 430.411 6.128 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc(-c3ccc(Br)o3)n2)c1 ZINC000065330142 569137104 /nfs/dbraw/zinc/13/71/04/569137104.db2.gz BDLYEDRJZXWSSW-UHFFFAOYSA-N 0 0 425.242 5.403 50 0 IKAARN CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1OCC ZINC000065331369 569137218 /nfs/dbraw/zinc/13/72/18/569137218.db2.gz ZJCKWMPXMFEGMU-MRXNPFEDSA-N 0 0 425.916 5.106 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)ccc1OC(C)C ZINC000065331378 569137223 /nfs/dbraw/zinc/13/72/23/569137223.db2.gz KLDYWPKYJHWULN-INIZCTEOSA-N 0 0 425.916 5.104 50 0 IKAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000238882066 569137649 /nfs/dbraw/zinc/13/76/49/569137649.db2.gz CGYUBYWOEBZTLZ-KESTWPANSA-N 0 0 437.584 5.115 50 0 biogenic IKAARN CC(C)c1cc(C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c(O)c(C(C)C)c1 ZINC000007191705 569137917 /nfs/dbraw/zinc/13/79/17/569137917.db2.gz DAPFWTSHRZBWOE-UHFFFAOYSA-N 0 0 427.585 5.128 50 0 IKAARN 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]3C[C@@H](O)[C@]21C ZINC000253614018 569138520 /nfs/dbraw/zinc/13/85/20/569138520.db2.gz FVYCOKNQUSFTBH-BZKKXSSFSA-N 0 0 448.644 5.137 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1Cl ZINC000065492315 569138825 /nfs/dbraw/zinc/13/88/25/569138825.db2.gz PPOJLIBNCIMIRP-UHFFFAOYSA-N 0 0 444.922 5.463 50 0 IKAARN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000065492569 569138875 /nfs/dbraw/zinc/13/88/75/569138875.db2.gz XNIMCJQSBWITOV-UHFFFAOYSA-N 0 0 435.405 5.375 50 0 IKAARN Cc1cccc(C(=O)Nc2ccccc2SC2CCCC2)c1I ZINC000065503820 569138924 /nfs/dbraw/zinc/13/89/24/569138924.db2.gz UMIQSVWVJXUAHK-UHFFFAOYSA-N 0 0 437.346 5.887 50 0 IKAARN O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1csc(Nc2ccccc2)n1 ZINC000065512963 569139036 /nfs/dbraw/zinc/13/90/36/569139036.db2.gz HFPNNVYQJPHIEQ-UHFFFAOYSA-N 0 0 428.439 5.178 50 0 IKAARN O[C@H](COc1ccccc1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000239432992 569139118 /nfs/dbraw/zinc/13/91/18/569139118.db2.gz XBHJIMQNBYEHJC-NEKDWFFYSA-N 0 0 444.619 5.822 50 0 IKAARN CC(C)CC(=O)Nc1ccc(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc1 ZINC000065553991 569139760 /nfs/dbraw/zinc/13/97/60/569139760.db2.gz ABLKGEZCMPZTHA-HSZRJFAPSA-N 0 0 435.593 5.368 50 0 IKAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2c(C(C)C)cccc2C(C)C)cs1 ZINC000065578392 569139818 /nfs/dbraw/zinc/13/98/18/569139818.db2.gz WZMXFFXMFMRGHJ-UHFFFAOYSA-N 0 0 425.554 5.725 50 0 IKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)NCCCOC2CCCCC2)s1 ZINC000065591025 569139974 /nfs/dbraw/zinc/13/99/74/569139974.db2.gz ANFUHWZLQGABRG-UHFFFAOYSA-N 0 0 445.610 5.354 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccncc1)c1cc(-c2ccccc2F)on1 ZINC000065610660 569140190 /nfs/dbraw/zinc/14/01/90/569140190.db2.gz KTXVAORBPDJBLU-UHFFFAOYSA-N 0 0 436.830 5.034 50 0 IKAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000240067704 569140532 /nfs/dbraw/zinc/14/05/32/569140532.db2.gz RZHCODHUOMWQBU-QGZVFWFLSA-N 0 0 448.872 5.520 50 0 IKAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000240067703 569140573 /nfs/dbraw/zinc/14/05/73/569140573.db2.gz RZHCODHUOMWQBU-KRWDZBQOSA-N 0 0 448.872 5.520 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4O[C@@H]4CCOC4)cc3)sc2c1 ZINC000240067995 569140604 /nfs/dbraw/zinc/14/06/04/569140604.db2.gz SGTIQHZMCHBEAB-GOSISDBHSA-N 0 0 431.517 5.087 50 0 IKAARN CCCCCCOc1ccc(CN[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)cc1 ZINC000170594066 569141399 /nfs/dbraw/zinc/14/13/99/569141399.db2.gz LOQZCIXDNYJZAR-NRFANRHFSA-N 0 0 432.490 5.662 50 0 IKAARN CCn1c(SC2CCC(=O)CC2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000170597161 569142098 /nfs/dbraw/zinc/14/20/98/569142098.db2.gz GQAUBGZQESRMOT-UHFFFAOYSA-N 0 0 428.561 5.784 50 0 IKAARN O=C(c1ccc(CSc2nc[nH]n2)cc1)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000170597366 569142128 /nfs/dbraw/zinc/14/21/28/569142128.db2.gz IRYRRPXMRISDIV-GOSISDBHSA-N 0 0 448.617 5.407 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)c2c(F)ccc(F)c2F)c2c[nH]c3ccccc32)cc1 ZINC000170598647 569142485 /nfs/dbraw/zinc/14/24/85/569142485.db2.gz ISXWAZMLRYIVKN-GOSISDBHSA-N 0 0 437.465 5.213 50 0 IKAARN C[C@@H](SCC(=O)Nc1cc(Br)c(F)cc1F)c1nc2ccccc2[nH]1 ZINC000170604793 569143571 /nfs/dbraw/zinc/14/35/71/569143571.db2.gz YFUKRAAWBSZSNR-SECBINFHSA-N 0 0 426.286 5.037 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1noc(-c2ccccc2)n1 ZINC000170610405 569144906 /nfs/dbraw/zinc/14/49/06/569144906.db2.gz MFTZBRJVGUOBHA-HOCLYGCPSA-N 0 0 439.566 5.089 50 0 IKAARN O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1csc(-c2ccc(F)cc2)n1 ZINC000170611184 569145095 /nfs/dbraw/zinc/14/50/95/569145095.db2.gz AJHKPYFORCWESB-UHFFFAOYSA-N 0 0 439.580 5.196 50 0 IKAARN Cc1ccccc1-c1nc(CNCc2cccc(NC(=O)c3ccccc3Cl)c2)no1 ZINC000170611901 569145147 /nfs/dbraw/zinc/14/51/47/569145147.db2.gz CXWHKEDTRCCJQM-UHFFFAOYSA-N 0 0 432.911 5.241 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(F)c2)c1CCC(=O)N(CC)CC ZINC000037278555 569145402 /nfs/dbraw/zinc/14/54/02/569145402.db2.gz GFKCBTNFAGOBCL-UHFFFAOYSA-N 0 0 439.531 5.176 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037278352 569145423 /nfs/dbraw/zinc/14/54/23/569145423.db2.gz MUDLMCVIUOJYKW-UHFFFAOYSA-N 0 0 439.559 6.415 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2C)c1CCC(=O)NCc1ccco1 ZINC000037278418 569145443 /nfs/dbraw/zinc/14/54/43/569145443.db2.gz XNKLPOYTRULILJ-UHFFFAOYSA-N 0 0 429.520 5.377 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1cccc(C)c1 ZINC000037278760 569145455 /nfs/dbraw/zinc/14/54/55/569145455.db2.gz ADFSJTZPPZLREW-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN O=C(NCCc1ccccc1)[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)Nc2ccccc2)C1 ZINC000037278041 569145478 /nfs/dbraw/zinc/14/54/78/569145478.db2.gz UCSGVOGXABHDAF-RDGATRHJSA-N 0 0 445.538 5.170 50 0 IKAARN COC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000037280166 569145827 /nfs/dbraw/zinc/14/58/27/569145827.db2.gz LMXQHSPANOVALK-QGZVFWFLSA-N 0 0 448.744 5.066 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2Cl)CC(=O)N1Cc1cccc(Cl)c1 ZINC000037280187 569145849 /nfs/dbraw/zinc/14/58/49/569145849.db2.gz KSGAOQJOGVGAMG-HXUWFJFHSA-N 0 0 446.374 5.983 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@@H]1C ZINC000037285033 569145950 /nfs/dbraw/zinc/14/59/50/569145950.db2.gz ZJNBQTSFRAVMSQ-SFHVURJKSA-N 0 0 449.530 5.021 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)C[C@H]1C ZINC000037285030 569145952 /nfs/dbraw/zinc/14/59/52/569145952.db2.gz UMWDQFCSFPKUQZ-GOSISDBHSA-N 0 0 449.530 5.021 50 0 IKAARN COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000170615383 569146496 /nfs/dbraw/zinc/14/64/96/569146496.db2.gz BSWJKIYKYYQDIO-JUYOQADGSA-N 0 0 444.575 5.598 50 0 IKAARN COc1cc(OC)cc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000170615699 569146594 /nfs/dbraw/zinc/14/65/94/569146594.db2.gz YHIVRNFTKGSZQQ-HXUWFJFHSA-N 0 0 426.925 5.410 50 0 IKAARN COc1cccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)c3cccc(F)c3)c(Cl)nc21 ZINC000170615680 569146601 /nfs/dbraw/zinc/14/66/01/569146601.db2.gz RHSUNEPPRWWHRV-LJQANCHMSA-N 0 0 449.869 5.620 50 0 IKAARN COc1cccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)Nc2ccccc2)c1 ZINC000170615190 569146613 /nfs/dbraw/zinc/14/66/13/569146613.db2.gz DMTHKWNAWZIDPA-XMMPIXPASA-N 0 0 430.577 5.309 50 0 IKAARN COc1cc(OC)cc(C2=NN(C(=O)c3ccco3)[C@@H](c3c(F)cccc3Cl)C2)c1 ZINC000170615685 569146618 /nfs/dbraw/zinc/14/66/18/569146618.db2.gz CGVCBLNETLAHLJ-LJQANCHMSA-N 0 0 428.847 5.081 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)Cc1csc(-c2ccccc2F)n1 ZINC000170621915 569147728 /nfs/dbraw/zinc/14/77/28/569147728.db2.gz GABRKWXMHAYNJY-GDLZYMKVSA-N 0 0 445.972 5.546 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O ZINC000007543461 569147749 /nfs/dbraw/zinc/14/77/49/569147749.db2.gz HSLLSRORIASHGO-NRFANRHFSA-N 0 0 431.580 5.926 50 0 IKAARN C[C@H](Sc1nncn1C(C)(C)C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000170620702 569147919 /nfs/dbraw/zinc/14/79/19/569147919.db2.gz DPYUZPKMMYKBQV-HNNXBMFYSA-N 0 0 425.989 5.938 50 0 IKAARN O=C(Nc1cccc(C2SCCS2)c1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000170622867 569147978 /nfs/dbraw/zinc/14/79/78/569147978.db2.gz QBKBHCBPSMVYAU-UHFFFAOYSA-N 0 0 435.014 5.646 50 0 IKAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000170623769 569148334 /nfs/dbraw/zinc/14/83/34/569148334.db2.gz FYRNINXFVIENED-UHFFFAOYSA-N 0 0 448.730 5.770 50 0 IKAARN O=C(Nc1cnc2ccccc2c1)c1cccnc1Oc1ccc(F)cc1Br ZINC000170626243 569148575 /nfs/dbraw/zinc/14/85/75/569148575.db2.gz XQQFAKRJKZNUJN-UHFFFAOYSA-N 0 0 438.256 5.576 50 0 IKAARN COC1CCN(c2ccc(NC(=O)c3cc4c(cc(F)cc4C)[nH]3)cc2C(F)(F)F)CC1 ZINC000170629558 569148847 /nfs/dbraw/zinc/14/88/47/569148847.db2.gz BFWCDZVLOWEMJN-UHFFFAOYSA-N 0 0 449.448 5.502 50 0 IKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cc(C[S@@](C)=O)ccc1Cl ZINC000170629816 569148895 /nfs/dbraw/zinc/14/88/95/569148895.db2.gz IAXYZBAJXYLGEW-MUUNZHRXSA-N 0 0 446.903 5.408 50 0 IKAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 ZINC000009882317 569149610 /nfs/dbraw/zinc/14/96/10/569149610.db2.gz JFPTXRWGFRDMCF-RUZDIDTESA-N 0 0 430.548 5.070 50 0 IKAARN Cn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1C1CC1 ZINC000009884063 569150213 /nfs/dbraw/zinc/15/02/13/569150213.db2.gz XXELQBMKZGLIFN-KRWDZBQOSA-N 0 0 432.471 5.183 50 0 IKAARN Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)s1 ZINC000009884300 569150315 /nfs/dbraw/zinc/15/03/15/569150315.db2.gz MLRFXGBMWQNDDZ-UHFFFAOYSA-N 0 0 447.862 5.182 50 0 IKAARN CC(C)Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccccc1F ZINC000009910246 569150461 /nfs/dbraw/zinc/15/04/61/569150461.db2.gz ONXFUCHAOAZCHF-UHFFFAOYSA-N 0 0 443.935 5.736 50 0 IKAARN CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)nc2c1Cc1cc(C)ccc1O2 ZINC000009955174 569151126 /nfs/dbraw/zinc/15/11/26/569151126.db2.gz IJQMAHFMFRBABF-UHFFFAOYSA-N 0 0 433.577 5.417 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)c(C)c1 ZINC000010059084 569152047 /nfs/dbraw/zinc/15/20/47/569152047.db2.gz CSQCMCKORHDSEO-PMERELPUSA-N 0 0 449.550 5.772 50 0 IKAARN Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)s3)c3cc(Cl)ccc32)cc1 ZINC000010059187 569152050 /nfs/dbraw/zinc/15/20/50/569152050.db2.gz XLPZTKVVJKOVRL-JOCHJYFZSA-N 0 0 446.355 5.371 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000010058993 569152109 /nfs/dbraw/zinc/15/21/09/569152109.db2.gz DDKOBMRJHOZXOI-DVECYGJZSA-N 0 0 446.616 6.907 50 0 IKAARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000010059608 569152373 /nfs/dbraw/zinc/15/23/73/569152373.db2.gz YINNRXHQONSTFJ-IRPSRAIASA-N 0 0 433.507 5.020 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010060253 569152401 /nfs/dbraw/zinc/15/24/01/569152401.db2.gz SSXJTCZLQCZTIG-NRFANRHFSA-N 0 0 430.888 5.099 50 0 IKAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000010060269 569152484 /nfs/dbraw/zinc/15/24/84/569152484.db2.gz LGEQNMKHTPHGKB-OUKQBFOZSA-N 0 0 429.911 5.268 50 0 IKAARN CCc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)o3)n(-c3ccccc3)n2)cc1 ZINC000010216194 569153144 /nfs/dbraw/zinc/15/31/44/569153144.db2.gz BAHRWKMOETXDLL-UHFFFAOYSA-N 0 0 445.548 5.093 50 0 IKAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000010216706 569153162 /nfs/dbraw/zinc/15/31/62/569153162.db2.gz TVDLBIBTCBGJDC-OAQYLSRUSA-N 0 0 447.608 5.535 50 0 IKAARN CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000010217283 569153267 /nfs/dbraw/zinc/15/32/67/569153267.db2.gz KVAFTUPMWQKTSB-SFHVURJKSA-N 0 0 443.576 5.572 50 0 IKAARN COc1ccc(SCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 ZINC000010219185 569153626 /nfs/dbraw/zinc/15/36/26/569153626.db2.gz KWHYALQQFXRKOY-UHFFFAOYSA-N 0 0 431.391 5.918 50 0 IKAARN COc1ccccc1N[P@](=O)(/C=C(/Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000013304858 569154858 /nfs/dbraw/zinc/15/48/58/569154858.db2.gz HXYJDQXODRIMAN-ARHRGINZSA-N 0 0 444.298 7.860 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000013320439 569154885 /nfs/dbraw/zinc/15/48/85/569154885.db2.gz IFPKVMIRJWTMRQ-UHFFFAOYSA-N 0 0 432.273 5.362 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4OC)=NN32)cc1 ZINC000013303754 569154948 /nfs/dbraw/zinc/15/49/48/569154948.db2.gz GDKBUQQZRLFZJM-BVAGGSTKSA-N 0 0 430.504 5.345 50 0 IKAARN CC(C)c1cc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)n2C)cs1 ZINC000013322918 569155050 /nfs/dbraw/zinc/15/50/50/569155050.db2.gz FYWNNAQHIRSLNQ-SJORKVTESA-N 0 0 434.675 5.480 50 0 IKAARN CC(C)c1cc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)n2C)cs1 ZINC000013322913 569155067 /nfs/dbraw/zinc/15/50/67/569155067.db2.gz FYWNNAQHIRSLNQ-IRXDYDNUSA-N 0 0 434.675 5.480 50 0 IKAARN S=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)Nc1cccc(Cl)c1Cl ZINC000013330374 569155176 /nfs/dbraw/zinc/15/51/76/569155176.db2.gz PUVYQLKXBFPHDK-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2Sc2ccccc21 ZINC000013365766 569155273 /nfs/dbraw/zinc/15/52/73/569155273.db2.gz VRXFFFSUWFXAPB-UHFFFAOYSA-N 0 0 430.529 5.731 50 0 IKAARN COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000013331634 569155292 /nfs/dbraw/zinc/15/52/92/569155292.db2.gz ABWKXFLJSFHUGW-UHFFFAOYSA-N 0 0 432.933 5.002 50 0 IKAARN COC(=O)[C@H](c1ccccc1)[C@@H]1C=C[C@@H](NC(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000037341648 569155506 /nfs/dbraw/zinc/15/55/06/569155506.db2.gz IUPWOGAGAVRLDL-DDUZABMNSA-N 0 0 438.738 5.278 50 0 IKAARN Cc1cccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)c1 ZINC000013576691 569155857 /nfs/dbraw/zinc/15/58/57/569155857.db2.gz HOMHSNWJLGZRMJ-NRFANRHFSA-N 0 0 431.517 5.063 50 0 IKAARN Cc1cc2c(N)c(C(=O)OCC(=O)c3ccccc3Cl)sc2cc1-c1ccccc1 ZINC000013575991 569155949 /nfs/dbraw/zinc/15/59/49/569155949.db2.gz JSDQEXFVEUCAIA-UHFFFAOYSA-N 0 0 435.932 6.152 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000013695099 569156599 /nfs/dbraw/zinc/15/65/99/569156599.db2.gz MOKJGDKNCVTFIV-UHFFFAOYSA-N 0 0 433.335 5.090 50 0 IKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1 ZINC000013746021 569156871 /nfs/dbraw/zinc/15/68/71/569156871.db2.gz CQTURNLRHURDNC-ZDUSSCGKSA-N 0 0 430.371 6.730 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1 ZINC000013746025 569156914 /nfs/dbraw/zinc/15/69/14/569156914.db2.gz OLJZCSBICXJEBC-UHFFFAOYSA-N 0 0 430.371 6.514 50 0 IKAARN COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 ZINC000013972391 569157413 /nfs/dbraw/zinc/15/74/13/569157413.db2.gz SBKRXURSYHZHKP-UHFFFAOYSA-N 0 0 432.501 5.872 50 0 IKAARN Cc1ccc(CNC(=O)C(NCc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1 ZINC000013989286 569157420 /nfs/dbraw/zinc/15/74/20/569157420.db2.gz IPTKNMJTCMVFCO-UHFFFAOYSA-N 0 0 434.583 5.653 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1C ZINC000014063639 569157715 /nfs/dbraw/zinc/15/77/15/569157715.db2.gz OASKWDUIUHUIBS-UHFFFAOYSA-N 0 0 431.732 5.075 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccccc1 ZINC000014055490 569157726 /nfs/dbraw/zinc/15/77/26/569157726.db2.gz ANZXEMWLGHRIQO-FQEVSTJZSA-N 0 0 439.544 5.652 50 0 IKAARN FC(F)(F)c1nc2ccccc2c(NCCSCc2ccc(Br)s2)n1 ZINC000014092689 569157844 /nfs/dbraw/zinc/15/78/44/569157844.db2.gz ZUAQTUNUSYLEQK-UHFFFAOYSA-N 0 0 448.333 5.818 50 0 IKAARN COc1ccc(C(F)(F)F)cc1-c1nc(CSc2nnc(C)n2C2CC2)cs1 ZINC000014169830 569157932 /nfs/dbraw/zinc/15/79/32/569157932.db2.gz BDBODHJBZOHADZ-UHFFFAOYSA-N 0 0 426.489 5.365 50 0 IKAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000014184914 569158030 /nfs/dbraw/zinc/15/80/30/569158030.db2.gz YGNYDFMPGLYVOI-UHFFFAOYSA-N 0 0 436.511 5.301 50 0 IKAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)o2)cc1 ZINC000014281992 569158517 /nfs/dbraw/zinc/15/85/17/569158517.db2.gz SGVYYUDMIUDLKQ-HXUWFJFHSA-N 0 0 442.563 5.536 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(Br)o2)c(C(F)(F)F)c1)c1ccco1 ZINC000014367044 569158780 /nfs/dbraw/zinc/15/87/80/569158780.db2.gz QLAMVQKDRJJSKW-UHFFFAOYSA-N 0 0 443.175 5.159 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000014359804 569158845 /nfs/dbraw/zinc/15/88/45/569158845.db2.gz YIZGATDXTZWJIM-SFHVURJKSA-N 0 0 425.557 5.814 50 0 IKAARN Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(Cl)s2)c1C(=O)N1CCOCC1 ZINC000014389682 569158901 /nfs/dbraw/zinc/15/89/01/569158901.db2.gz LKTRTVFWXYCUKY-UHFFFAOYSA-N 0 0 446.981 5.163 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000014412534 569158912 /nfs/dbraw/zinc/15/89/12/569158912.db2.gz UPPLEGSVJPZXKN-UHFFFAOYSA-N 0 0 435.524 5.429 50 0 IKAARN CCOc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000014609922 569159456 /nfs/dbraw/zinc/15/94/56/569159456.db2.gz CQHXFSHJFDVSIS-UHFFFAOYSA-N 0 0 448.910 5.247 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cccc(Cl)c2)cc1 ZINC000014610015 569159504 /nfs/dbraw/zinc/15/95/04/569159504.db2.gz UMZZMPCNDSUHJR-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccccc2Cl)cc1 ZINC000014610096 569159589 /nfs/dbraw/zinc/15/95/89/569159589.db2.gz VXDJQHHMWNZDSV-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000089618691 569159936 /nfs/dbraw/zinc/15/99/36/569159936.db2.gz RRAUAAMRIRBNIR-UHFFFAOYSA-N 0 0 443.421 5.485 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662050 569160735 /nfs/dbraw/zinc/16/07/35/569160735.db2.gz QAMLRPXMMZCXPN-MOPGFXCFSA-N 0 0 446.979 5.144 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662090 569160903 /nfs/dbraw/zinc/16/09/03/569160903.db2.gz GCSKBMGZXBBUQY-PMACEKPBSA-N 0 0 445.991 5.749 50 0 IKAARN Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C3SCCS3)c2)c1C(F)(F)F ZINC000089697013 569161427 /nfs/dbraw/zinc/16/14/27/569161427.db2.gz NPNKQYBZZZMUQZ-UHFFFAOYSA-N 0 0 449.523 5.930 50 0 IKAARN CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000016837185 569162473 /nfs/dbraw/zinc/16/24/73/569162473.db2.gz AERCLZAZAGGPJZ-UHFFFAOYSA-N 0 0 447.585 5.468 50 0 IKAARN CN(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000016837191 569162538 /nfs/dbraw/zinc/16/25/38/569162538.db2.gz SSRDDZXNLAQDQJ-UHFFFAOYSA-N 0 0 448.617 5.331 50 0 IKAARN CN1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837159 569162555 /nfs/dbraw/zinc/16/25/55/569162555.db2.gz DMJWWDZAEZETPQ-UHFFFAOYSA-N 0 0 439.993 5.918 50 0 IKAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(Cl)cc4)oc3C)n2)c1 ZINC000016840797 569163246 /nfs/dbraw/zinc/16/32/46/569163246.db2.gz ZTEXQPDNWVTCGA-UHFFFAOYSA-N 0 0 439.924 5.767 50 0 IKAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(Cl)cc4)oc3C)n2)cc1 ZINC000016840800 569163272 /nfs/dbraw/zinc/16/32/72/569163272.db2.gz JEONKGSFJZPVQC-UHFFFAOYSA-N 0 0 439.924 5.767 50 0 IKAARN CCOc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 ZINC000016842890 569163447 /nfs/dbraw/zinc/16/34/47/569163447.db2.gz SLTYOJRBQLITMA-UHFFFAOYSA-N 0 0 440.366 5.850 50 0 IKAARN Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3Cc3ccccc3)n2)cc1 ZINC000016843228 569163579 /nfs/dbraw/zinc/16/35/79/569163579.db2.gz HEEYNQBTOPHWPN-UHFFFAOYSA-N 0 0 446.557 5.157 50 0 IKAARN CC(C)CCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000016843551 569163689 /nfs/dbraw/zinc/16/36/89/569163689.db2.gz GUNSEQXZNDTOBZ-UHFFFAOYSA-N 0 0 446.985 5.500 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000016846448 569163885 /nfs/dbraw/zinc/16/38/85/569163885.db2.gz OIYGVMFBBBEKLN-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCc1c[nH]c2ccccc12 ZINC000016848898 569164402 /nfs/dbraw/zinc/16/44/02/569164402.db2.gz ZFCDEOZPSONUFO-UHFFFAOYSA-N 0 0 448.979 5.489 50 0 IKAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016890390 569165473 /nfs/dbraw/zinc/16/54/73/569165473.db2.gz CAODBNAOVSAVGL-UHFFFAOYSA-N 0 0 433.558 5.182 50 0 IKAARN O=C(CCCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000089830378 569165498 /nfs/dbraw/zinc/16/54/98/569165498.db2.gz HPNMXCOMSVXBCO-JOCHJYFZSA-N 0 0 443.572 5.490 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1c[nH]c2ccccc12 ZINC000089857526 569165935 /nfs/dbraw/zinc/16/59/35/569165935.db2.gz XROWVZFSLYJVPR-UHFFFAOYSA-N 0 0 428.492 5.530 50 0 IKAARN COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000016916145 569166246 /nfs/dbraw/zinc/16/62/46/569166246.db2.gz OKHDUJVVWXHZNS-UHFFFAOYSA-N 0 0 435.574 5.274 50 0 IKAARN CC(C)c1cc(Br)ccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000089893285 569166666 /nfs/dbraw/zinc/16/66/66/569166666.db2.gz ZOXXTHXJPSCAJF-UHFFFAOYSA-N 0 0 429.358 5.063 50 0 IKAARN O=C(c1ccsc1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000089885418 569166698 /nfs/dbraw/zinc/16/66/98/569166698.db2.gz VWIOTJYTBLPMPG-QGZVFWFLSA-N 0 0 425.897 5.032 50 0 IKAARN C[C@H](NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 ZINC000089904638 569167106 /nfs/dbraw/zinc/16/71/06/569167106.db2.gz YPXTYXXBGCLIID-BBATYDOGSA-N 0 0 434.439 5.132 50 0 IKAARN CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000089930429 569167863 /nfs/dbraw/zinc/16/78/63/569167863.db2.gz FWLZPCWRFFSJOW-JOCHJYFZSA-N 0 0 430.895 5.483 50 0 IKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)c1OC ZINC000016960740 569168195 /nfs/dbraw/zinc/16/81/95/569168195.db2.gz FAUUZWYWDSLGME-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2F)c1 ZINC000016960602 569168222 /nfs/dbraw/zinc/16/82/22/569168222.db2.gz CTIZPQFEHWOOBQ-UHFFFAOYSA-N 0 0 431.492 5.307 50 0 IKAARN CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000089941548 569168337 /nfs/dbraw/zinc/16/83/37/569168337.db2.gz QBGZZZAEZKYRMA-HXUWFJFHSA-N 0 0 428.319 5.638 50 0 IKAARN CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000089941547 569168340 /nfs/dbraw/zinc/16/83/40/569168340.db2.gz QBGZZZAEZKYRMA-FQEVSTJZSA-N 0 0 428.319 5.638 50 0 IKAARN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000089953275 569168691 /nfs/dbraw/zinc/16/86/91/569168691.db2.gz CTSWGEUCCZDJNH-QGZVFWFLSA-N 0 0 431.558 5.022 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc32)Cc2ccccn2)cc1 ZINC000016977287 569168752 /nfs/dbraw/zinc/16/87/52/569168752.db2.gz YZBBUAPLPXSKGN-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(F)c1 ZINC000016977300 569168831 /nfs/dbraw/zinc/16/88/31/569168831.db2.gz QFLGMYPDWNSTDJ-UHFFFAOYSA-N 0 0 436.531 5.591 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000016977065 569168906 /nfs/dbraw/zinc/16/89/06/569168906.db2.gz WDFCUECRTUOFLU-UHFFFAOYSA-N 0 0 431.304 5.728 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)NC3CCCCC3)c2c1 ZINC000016977414 569168964 /nfs/dbraw/zinc/16/89/64/569168964.db2.gz SHGFQIVSHOWFJT-UHFFFAOYSA-N 0 0 436.625 5.132 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCOc1cccc(C)c1 ZINC000014718196 569169576 /nfs/dbraw/zinc/16/95/76/569169576.db2.gz KEKGXQVRCHSJQH-UHFFFAOYSA-N 0 0 448.519 5.062 50 0 IKAARN Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1 ZINC000016994095 569169642 /nfs/dbraw/zinc/16/96/42/569169642.db2.gz VDWNYIMAACXGPS-UHFFFAOYSA-N 0 0 428.945 5.547 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(C)c1 ZINC000016994148 569169682 /nfs/dbraw/zinc/16/96/82/569169682.db2.gz LVOWLFKFFNHENB-UHFFFAOYSA-N 0 0 446.572 5.179 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2c(=O)n1C(C)C ZINC000016991610 569169703 /nfs/dbraw/zinc/16/97/03/569169703.db2.gz MMNHKLMGTNQBIC-UHFFFAOYSA-N 0 0 425.941 5.887 50 0 IKAARN Cc1c2ccc(NC(=O)c3ccccc3Br)cc2oc1C(=O)c1ccccc1 ZINC000016993274 569169880 /nfs/dbraw/zinc/16/98/80/569169880.db2.gz BLDXIDABGPHLHK-UHFFFAOYSA-N 0 0 434.289 5.987 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cccs4)cc3)n2)cc1 ZINC000017013608 569170572 /nfs/dbraw/zinc/17/05/72/569170572.db2.gz PTKUVMXPWPYVNF-UHFFFAOYSA-N 0 0 431.521 5.595 50 0 IKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000017013445 569170695 /nfs/dbraw/zinc/17/06/95/569170695.db2.gz TXZWLJTWOGRMSI-UHFFFAOYSA-N 0 0 441.457 5.400 50 0 IKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000017013293 569170847 /nfs/dbraw/zinc/17/08/47/569170847.db2.gz QWKVWXOUIXOHMX-UHFFFAOYSA-N 0 0 429.568 5.679 50 0 IKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000017013755 569170885 /nfs/dbraw/zinc/17/08/85/569170885.db2.gz CQQBKZQWPZUWDS-UHFFFAOYSA-N 0 0 449.511 5.212 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccc(C)cc1C ZINC000017025937 569170975 /nfs/dbraw/zinc/17/09/75/569170975.db2.gz OJLHSPYURMPGEW-UHFFFAOYSA-N 0 0 442.632 6.238 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@@H]1C ZINC000037355828 569171100 /nfs/dbraw/zinc/17/11/00/569171100.db2.gz WTORVMOEBBVFOU-ROUUACIJSA-N 0 0 430.980 5.176 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)c1 ZINC000017042812 569171651 /nfs/dbraw/zinc/17/16/51/569171651.db2.gz YPIUBOHUFWZAPC-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000017042794 569171663 /nfs/dbraw/zinc/17/16/63/569171663.db2.gz RCTOUKVNKLVAOZ-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN C[C@H]1CN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356588 569172258 /nfs/dbraw/zinc/17/22/58/569172258.db2.gz SHHBFAOLECHXHH-INIZCTEOSA-N 0 0 446.954 5.069 50 0 IKAARN O=C(c1cccnc1Nc1ccccc1F)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000170633195 569172262 /nfs/dbraw/zinc/17/22/62/569172262.db2.gz LBFUSJIVJPDFHB-JOCHJYFZSA-N 0 0 439.918 5.204 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)nc2c1 ZINC000017099269 569173942 /nfs/dbraw/zinc/17/39/42/569173942.db2.gz ZIQUVLKXPDSSJB-HNNXBMFYSA-N 0 0 434.923 6.923 50 0 IKAARN COc1cccc(NC2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)c1 ZINC000170633767 569174020 /nfs/dbraw/zinc/17/40/20/569174020.db2.gz VGAUQAIMEBHVOX-UHFFFAOYSA-N 0 0 428.623 5.281 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1 ZINC000017112928 569174115 /nfs/dbraw/zinc/17/41/15/569174115.db2.gz CJSCLXGUVKYALZ-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 biogenic IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccc(Cl)cc1 ZINC000017121886 569174229 /nfs/dbraw/zinc/17/42/29/569174229.db2.gz QHFYZTIIGVRFKK-UHFFFAOYSA-N 0 0 449.023 6.275 50 0 IKAARN CC(=O)N1CCc2c(sc(NC(=O)c3cccc(C)c3)c2-c2nc3ccccc3s2)C1 ZINC000017122676 569174237 /nfs/dbraw/zinc/17/42/37/569174237.db2.gz IMSXQYGNQWLZJW-UHFFFAOYSA-N 0 0 447.585 5.490 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cc(C)cc(C)c1 ZINC000017121871 569174266 /nfs/dbraw/zinc/17/42/66/569174266.db2.gz SPDAOIOHPMENLZ-UHFFFAOYSA-N 0 0 442.632 6.238 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cccc(C)c3C)c2c1 ZINC000017135684 569174369 /nfs/dbraw/zinc/17/43/69/569174369.db2.gz BHNVOFMHCLOMEU-UHFFFAOYSA-N 0 0 447.604 6.136 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccccc1C ZINC000017136000 569174513 /nfs/dbraw/zinc/17/45/13/569174513.db2.gz NLXOJUOKPQBNNT-UHFFFAOYSA-N 0 0 437.996 6.473 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3ccccc3C)c2c1 ZINC000017136002 569174523 /nfs/dbraw/zinc/17/45/23/569174523.db2.gz FIBOTXMKFJHQJP-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN COc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000008916809 569174652 /nfs/dbraw/zinc/17/46/52/569174652.db2.gz NUOQWMJBQZKGPV-LJAQVGFWSA-N 0 0 433.555 6.663 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000170634344 569174763 /nfs/dbraw/zinc/17/47/63/569174763.db2.gz QLYOOQSBFSXCQB-UHFFFAOYSA-N 0 0 444.890 5.561 50 0 IKAARN CCCCCCc1c([O-])nc(SCC[NH+](CCC)CCC)n(-c2ccccc2)c1=O ZINC000017159746 569175088 /nfs/dbraw/zinc/17/50/88/569175088.db2.gz FDHJHQORZTXYOM-UHFFFAOYSA-N 0 0 431.646 5.275 50 0 IKAARN O=C(COc1cccc2ccc(N3CCCCC3)nc21)Nc1cccc(C(F)(F)F)c1 ZINC000017170644 569175200 /nfs/dbraw/zinc/17/52/00/569175200.db2.gz OIIGSSDYNUYURN-UHFFFAOYSA-N 0 0 429.442 5.261 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000017169945 569175374 /nfs/dbraw/zinc/17/53/74/569175374.db2.gz YHCFPGCAUSUPPC-UHFFFAOYSA-N 0 0 430.451 5.612 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(C(F)(F)F)cc1 ZINC000017169922 569175414 /nfs/dbraw/zinc/17/54/14/569175414.db2.gz KAKBETBYBJJEKB-UHFFFAOYSA-N 0 0 430.451 5.612 50 0 IKAARN O=C(NC1CCCCCCCCCCC1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000017170410 569175504 /nfs/dbraw/zinc/17/55/04/569175504.db2.gz GHTQYSKXIKDOMM-OAQYLSRUSA-N 0 0 448.913 6.300 50 0 IKAARN O=C(COc1cccc2ccc(N3CCCCC3)nc21)Nc1ccc(C(F)(F)F)cc1 ZINC000017170575 569175514 /nfs/dbraw/zinc/17/55/14/569175514.db2.gz XWLNLTAIJNZGAK-UHFFFAOYSA-N 0 0 429.442 5.261 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2C)cc1OC ZINC000017181047 569175665 /nfs/dbraw/zinc/17/56/65/569175665.db2.gz ZEIBFCOZLOLPOR-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1cccc(C(F)(F)F)c1 ZINC000017192200 569175809 /nfs/dbraw/zinc/17/58/09/569175809.db2.gz BCYLEEZBOYWPKJ-UHFFFAOYSA-N 0 0 428.439 5.146 50 0 IKAARN Clc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200425 569175861 /nfs/dbraw/zinc/17/58/61/569175861.db2.gz UVIFGVBVPSCCKB-UHFFFAOYSA-N 0 0 444.970 6.515 50 0 IKAARN C[C@H]1O[C@H](n2c3ccccc3c3ccccc32)[C@H](C)O[C@@H]1n1c2ccccc2c2ccccc21 ZINC000017207553 569176016 /nfs/dbraw/zinc/17/60/16/569176016.db2.gz FPILFFLXHSKNOF-CIGLBZRHSA-N 0 0 446.550 7.424 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000000935798 569176289 /nfs/dbraw/zinc/17/62/89/569176289.db2.gz QWKSCPKZOOANNI-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000937764 569176336 /nfs/dbraw/zinc/17/63/36/569176336.db2.gz VARMXOWLEKRXRI-INIZCTEOSA-N 0 0 438.911 5.315 50 0 IKAARN Cc1ccc(C)c(Oc2coc3cc(OCC(=O)Nc4ccccc4Cl)ccc3c2=O)c1 ZINC000000954930 569176434 /nfs/dbraw/zinc/17/64/34/569176434.db2.gz IMZUPFGHODZIDW-UHFFFAOYSA-N 0 0 449.890 5.873 50 0 IKAARN C[C@@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000000937768 569176466 /nfs/dbraw/zinc/17/64/66/569176466.db2.gz ZHQDANYITCKMRR-OAHLLOKOSA-N 0 0 443.330 5.329 50 0 IKAARN CCOc1ccc(-c2cnc(SCc3ccc(OC)c(Br)c3)nc2N)cc1 ZINC000001059686 569176597 /nfs/dbraw/zinc/17/65/97/569176597.db2.gz FGJOSOVZZRAOLB-UHFFFAOYSA-N 0 0 446.370 5.188 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000001061541 569176625 /nfs/dbraw/zinc/17/66/25/569176625.db2.gz OJTBEWAGDDSDPP-UHFFFAOYSA-N 0 0 433.455 5.210 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1)c1ccccc1 ZINC000017269263 569176851 /nfs/dbraw/zinc/17/68/51/569176851.db2.gz CMLUZRVXDNOROS-XMMPIXPASA-N 0 0 437.547 6.405 50 0 IKAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1cccc(F)c1)nc2-c1ccccc1F ZINC000037358893 569176859 /nfs/dbraw/zinc/17/68/59/569176859.db2.gz UMPZPALZWRNAMV-UHFFFAOYSA-N 0 0 446.436 5.094 50 0 IKAARN O=C1OC(c2cccc(Br)c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000002070436 569176948 /nfs/dbraw/zinc/17/69/48/569176948.db2.gz UMDVDQFKJMJIKN-FYJGNVAPSA-N 0 0 434.289 5.373 50 0 IKAARN CC(C)CNc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037359115 569176968 /nfs/dbraw/zinc/17/69/68/569176968.db2.gz HOTJXIWVEQOSAU-UHFFFAOYSA-N 0 0 427.339 5.439 50 0 IKAARN C[C@@H](Oc1ccc(C(=O)NC2CCCCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000001791738 569177084 /nfs/dbraw/zinc/17/70/84/569177084.db2.gz KWGYOAUYRUYUDP-OAHLLOKOSA-N 0 0 434.458 5.174 50 0 IKAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1ccc(Br)cc1 ZINC000001789815 569177112 /nfs/dbraw/zinc/17/71/12/569177112.db2.gz GPTZDXFLKGIAJR-LLVKDONJSA-N 0 0 448.411 5.452 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 ZINC000002825553 569177471 /nfs/dbraw/zinc/17/74/71/569177471.db2.gz XULLGTFBEMDDPN-CQSZACIVSA-N 0 0 436.552 6.133 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000002823976 569177491 /nfs/dbraw/zinc/17/74/91/569177491.db2.gz WBVQVOPLMFLMHA-ZFMLPXDISA-N 0 0 433.891 5.833 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000002823974 569177495 /nfs/dbraw/zinc/17/74/95/569177495.db2.gz WBVQVOPLMFLMHA-YIRPMMGJSA-N 0 0 433.891 5.833 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3F)C(=O)O2)cc1 ZINC000002084361 569178338 /nfs/dbraw/zinc/17/83/38/569178338.db2.gz BRKIGTJMTYKDEX-XQNSMLJCSA-N 0 0 429.491 6.047 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000006924999 569178522 /nfs/dbraw/zinc/17/85/22/569178522.db2.gz IMLSMVPEHSIEGN-FYYLOGMGSA-N 0 0 441.369 5.908 50 0 IKAARN O=C(CCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl ZINC000002089093 569178533 /nfs/dbraw/zinc/17/85/33/569178533.db2.gz BZSATAZFKVUGHZ-UHFFFAOYSA-N 0 0 434.841 6.179 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000006924964 569178548 /nfs/dbraw/zinc/17/85/48/569178548.db2.gz IMLSMVPEHSIEGN-JTHBVZDNSA-N 0 0 441.369 5.908 50 0 IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)c(C)c2oc1=O ZINC000002091533 569178644 /nfs/dbraw/zinc/17/86/44/569178644.db2.gz HZHKEJSFFHCPQU-UHFFFAOYSA-N 0 0 436.548 5.782 50 0 biogenic IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc4ccc(C)cc4s3)cc12 ZINC000002091359 569178649 /nfs/dbraw/zinc/17/86/49/569178649.db2.gz UOOMWUMXFYRZJW-UHFFFAOYSA-N 0 0 425.557 6.477 50 0 IKAARN C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nnc2ccccn21 ZINC000170638544 569178678 /nfs/dbraw/zinc/17/86/78/569178678.db2.gz DBGGHEAQZVWGHO-CYBMUJFWSA-N 0 0 427.291 5.319 50 0 IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3c(C)ccc4ccccc43)cc2oc1=O ZINC000002092489 569178835 /nfs/dbraw/zinc/17/88/35/569178835.db2.gz VOFKCJNFWMGGAI-UHFFFAOYSA-N 0 0 430.500 5.638 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)c12 ZINC000002092571 569178871 /nfs/dbraw/zinc/17/88/71/569178871.db2.gz IWUCBJASCQXJAP-ZHRRBRCNSA-N 0 0 445.556 5.289 50 0 biogenic IKAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002093261 569178919 /nfs/dbraw/zinc/17/89/19/569178919.db2.gz KGDQUXCNFWNAFW-IGKIAQTJSA-N 0 0 443.591 5.166 50 0 biogenic IKAARN CCCCCN1CC(=O)N2[C@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002093260 569178943 /nfs/dbraw/zinc/17/89/43/569178943.db2.gz KGDQUXCNFWNAFW-RPLLCQBOSA-N 0 0 443.591 5.166 50 0 biogenic IKAARN Cc1nc(-c2ccsc2)sc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000027124129 569179068 /nfs/dbraw/zinc/17/90/68/569179068.db2.gz FFULVVWFICCHSS-HNNXBMFYSA-N 0 0 441.603 5.616 50 0 IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000002095989 569179301 /nfs/dbraw/zinc/17/93/01/569179301.db2.gz CDZYSAZTFZIUDZ-UHFFFAOYSA-N 0 0 435.303 5.483 50 0 biogenic IKAARN Cc1ccccc1[C@H]1CN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CCO1 ZINC000170639084 569179549 /nfs/dbraw/zinc/17/95/49/569179549.db2.gz GESSGUVGOYOHPM-LJQANCHMSA-N 0 0 432.467 5.351 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000002098278 569179556 /nfs/dbraw/zinc/17/95/56/569179556.db2.gz FBVDNHFXLPURRB-UHFFFAOYSA-N 0 0 448.902 6.348 50 0 biogenic IKAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002103175 569179980 /nfs/dbraw/zinc/17/99/80/569179980.db2.gz FEZSASLVQYQVCM-AHKZPQOWSA-N 0 0 449.554 5.770 50 0 biogenic IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3C)c2)cc1 ZINC000002103730 569180113 /nfs/dbraw/zinc/18/01/13/569180113.db2.gz LWWGKGDXKCEYBN-UHFFFAOYSA-N 0 0 428.484 6.003 50 0 biogenic IKAARN O=C(Oc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002284707 569180131 /nfs/dbraw/zinc/18/01/31/569180131.db2.gz OMGKSDLBILTKBS-UHFFFAOYSA-N 0 0 428.702 7.081 50 0 IKAARN C[C@@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000170640205 569180185 /nfs/dbraw/zinc/18/01/85/569180185.db2.gz VPUXIQFXQUUJRI-CQSZACIVSA-N 0 0 440.421 5.219 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000000638173 569180290 /nfs/dbraw/zinc/18/02/90/569180290.db2.gz DWPXVRNTXHVQOB-RPWUZVMVSA-N 0 0 426.907 5.453 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000000868711 569180430 /nfs/dbraw/zinc/18/04/30/569180430.db2.gz GQQQZWQWBZVTMU-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN Fc1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1 ZINC000000949964 569180451 /nfs/dbraw/zinc/18/04/51/569180451.db2.gz CCXZEZHHDGPMSF-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000000901300 569180480 /nfs/dbraw/zinc/18/04/80/569180480.db2.gz LKOROUZPJCWFPJ-HUUCEWRRSA-N 0 0 443.494 5.621 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000000868875 569180497 /nfs/dbraw/zinc/18/04/97/569180497.db2.gz MQDIDVFWYRSCFX-UHFFFAOYSA-N 0 0 446.370 5.355 50 0 IKAARN Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000001247669 569180546 /nfs/dbraw/zinc/18/05/46/569180546.db2.gz NOKRGWHGTJAMRJ-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)N(C1CCCCC1)C1CCCCC1 ZINC000002064038 569180554 /nfs/dbraw/zinc/18/05/54/569180554.db2.gz QAQMYQLPEREPTI-UHFFFAOYSA-N 0 0 443.682 6.156 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000001771307 569180576 /nfs/dbraw/zinc/18/05/76/569180576.db2.gz ZBDWTCQKFVEWDH-UHFFFAOYSA-N 0 0 436.027 5.777 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001833707 569180584 /nfs/dbraw/zinc/18/05/84/569180584.db2.gz RYGWHNMCJUSWAP-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Cl)cc32)cc1 ZINC000002078801 569180602 /nfs/dbraw/zinc/18/06/02/569180602.db2.gz FSIAKRGZWAXUQK-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN Cc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1C ZINC000002079410 569180614 /nfs/dbraw/zinc/18/06/14/569180614.db2.gz PCTDDPUSZMAIBF-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN CCC(=O)N[C@@H](n1c2ccccc2nc1SCc1ccccc1)C(Cl)(Cl)Cl ZINC000001449316 569180621 /nfs/dbraw/zinc/18/06/21/569180621.db2.gz DOVRFYQRWBBYEV-KRWDZBQOSA-N 0 0 442.799 5.724 50 0 IKAARN CCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cccc12 ZINC000002303042 569180658 /nfs/dbraw/zinc/18/06/58/569180658.db2.gz YMFCPWUMHRAZMA-UHFFFAOYSA-N 0 0 426.354 6.710 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2c(Cl)cccc2Cl)cc1 ZINC000002259925 569180681 /nfs/dbraw/zinc/18/06/81/569180681.db2.gz WGCCLFDCUHTITK-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CC)cc1 ZINC000002322917 569180806 /nfs/dbraw/zinc/18/08/06/569180806.db2.gz HALHMNYPIXWLCO-UHFFFAOYSA-N 0 0 429.611 5.168 50 0 IKAARN CC[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(C)cc21)C(=O)c1ccccc1 ZINC000002578216 569180958 /nfs/dbraw/zinc/18/09/58/569180958.db2.gz KFRFEXIVXZXUGD-RUZDIDTESA-N 0 0 443.930 6.682 50 0 IKAARN O=C([C@H](Oc1cccc(Br)c1)c1ccccc1)N1CCSc2ncccc21 ZINC000170640385 569180987 /nfs/dbraw/zinc/18/09/87/569180987.db2.gz QXOMCOPHTSLPDA-LJQANCHMSA-N 0 0 441.350 5.103 50 0 IKAARN CCOc1ccccc1Oc1c(C)oc2cc(OCc3cccc(OC)c3)ccc2c1=O ZINC000002105574 569181038 /nfs/dbraw/zinc/18/10/38/569181038.db2.gz LCQKPKPYTBMSKI-UHFFFAOYSA-N 0 0 432.472 5.880 50 0 biogenic IKAARN CCOC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc(C)c1-c1cc(C)ccc1C ZINC000002105443 569181054 /nfs/dbraw/zinc/18/10/54/569181054.db2.gz PINOSMVJSWENEH-UHFFFAOYSA-N 0 0 425.525 5.837 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)cc1 ZINC000003123011 569181068 /nfs/dbraw/zinc/18/10/68/569181068.db2.gz AKXJAFSMLGDBFW-UHFFFAOYSA-N 0 0 425.528 7.278 50 0 IKAARN COc1ccccc1[C@H](CCN(Cc1ccccc1)C(C)=O)c1ccc(OC(C)C)cc1 ZINC000002106794 569181137 /nfs/dbraw/zinc/18/11/37/569181137.db2.gz RDVIABFILVLRPD-AREMUKBSSA-N 0 0 431.576 6.053 50 0 biogenic IKAARN NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CCCc1ccccc1 ZINC000002107939 569181269 /nfs/dbraw/zinc/18/12/69/569181269.db2.gz CUJKWEVTKPASQM-UHFFFAOYSA-N 0 0 433.360 5.782 50 0 IKAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC ZINC000002108820 569181685 /nfs/dbraw/zinc/18/16/85/569181685.db2.gz CDPOBZIMHLARGH-QLWPUQSHSA-N 0 0 434.580 5.291 50 0 biogenic IKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cc(C)c(C(=O)OC)o1)CCC3 ZINC000002109431 569181887 /nfs/dbraw/zinc/18/18/87/569181887.db2.gz VWPSPTZNYBNDHW-UHFFFAOYSA-N 0 0 438.520 5.672 50 0 biogenic IKAARN COc1cccc(-c2nc(C(=O)NCc3ccc(F)cc3)cc3c4ccccc4[nH]c32)c1 ZINC000002112637 569182088 /nfs/dbraw/zinc/18/20/88/569182088.db2.gz NUJMVNSIZVSLQH-UHFFFAOYSA-N 0 0 425.463 5.461 50 0 biogenic IKAARN COc1cccc(-c2nc(C(=O)NCc3ccccc3OC)cc3c4ccccc4[nH]c32)c1 ZINC000002112746 569182132 /nfs/dbraw/zinc/18/21/32/569182132.db2.gz VBIYEQOGRJPFBW-UHFFFAOYSA-N 0 0 437.499 5.330 50 0 biogenic IKAARN Cc1c(OCc2ccc(F)cc2F)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002113741 569182186 /nfs/dbraw/zinc/18/21/86/569182186.db2.gz VQGLDXBCOSLPRX-UHFFFAOYSA-N 0 0 446.405 5.732 50 0 biogenic IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3cccc4ccccc43)cc2)cc1 ZINC000014830085 569182203 /nfs/dbraw/zinc/18/22/03/569182203.db2.gz VMEKULDNANZFDM-UHFFFAOYSA-N 0 0 426.472 5.118 50 0 IKAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc3c(c2)c2ccccc2n3CC)CO1 ZINC000002113043 569182217 /nfs/dbraw/zinc/18/22/17/569182217.db2.gz YXPBRDXKSIDEDO-UHFFFAOYSA-N 0 0 438.527 6.230 50 0 biogenic IKAARN COc1ccccc1-c1nc(C(=O)NCCc2ccc(F)cc2)cc2c3ccccc3[nH]c21 ZINC000002114725 569182307 /nfs/dbraw/zinc/18/23/07/569182307.db2.gz GPZZJQLGPMNJDN-UHFFFAOYSA-N 0 0 439.490 5.503 50 0 biogenic IKAARN COC(=O)c1ccc(COc2cc(C)cc3oc(=O)cc(-c4ccc(OC)cc4)c23)cc1 ZINC000002115080 569182325 /nfs/dbraw/zinc/18/23/25/569182325.db2.gz QAVXIUYNBNGYLX-UHFFFAOYSA-N 0 0 430.456 5.143 50 0 biogenic IKAARN COc1ccc(CCNC(=O)c2cc3c4ccccc4[nH]c3c(CCc3ccccc3)n2)cc1 ZINC000002114545 569182340 /nfs/dbraw/zinc/18/23/40/569182340.db2.gz QVQOUIICEATREP-UHFFFAOYSA-N 0 0 449.554 5.482 50 0 biogenic IKAARN O=C(NCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000002117844 569182544 /nfs/dbraw/zinc/18/25/44/569182544.db2.gz HWPZNSMXSOKQQH-UHFFFAOYSA-N 0 0 425.919 6.009 50 0 biogenic IKAARN CCc1cccc(N2COc3c(C)c4oc(=O)cc(-c5ccc(OC)cc5)c4cc3C2)c1 ZINC000002118291 569182574 /nfs/dbraw/zinc/18/25/74/569182574.db2.gz JCCQIHYANKYXJN-UHFFFAOYSA-N 0 0 427.500 5.696 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccccc2Cl)CO4)cc1 ZINC000002118741 569182654 /nfs/dbraw/zinc/18/26/54/569182654.db2.gz NRTLONHBIYWZRI-UHFFFAOYSA-N 0 0 433.891 5.787 50 0 biogenic IKAARN CCCCc1ccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 ZINC000002118648 569182675 /nfs/dbraw/zinc/18/26/75/569182675.db2.gz JUNQSFUSHDZRDU-UHFFFAOYSA-N 0 0 441.527 6.168 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)cc2C)CO4)cc1 ZINC000002118863 569182709 /nfs/dbraw/zinc/18/27/09/569182709.db2.gz DQVLBMGWEVWQKB-UHFFFAOYSA-N 0 0 427.500 5.750 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccccc3Cl)cc2o1 ZINC000002119756 569182853 /nfs/dbraw/zinc/18/28/53/569182853.db2.gz IFXQTEMFZNKQPT-UHFFFAOYSA-N 0 0 430.843 5.799 50 0 biogenic IKAARN Cc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccccc3Cl)n2)cc1 ZINC000002120149 569182972 /nfs/dbraw/zinc/18/29/72/569182972.db2.gz WYEUANJDNXKZRM-UHFFFAOYSA-N 0 0 425.919 6.275 50 0 biogenic IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCc1nc2ccccc2n1C(F)F ZINC000014901778 569183184 /nfs/dbraw/zinc/18/31/84/569183184.db2.gz MIQHHAYUHNOHEV-UHFFFAOYSA-N 0 0 434.805 5.075 50 0 IKAARN O=C(NC[C@H](O)c1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1 ZINC000002120975 569183420 /nfs/dbraw/zinc/18/34/20/569183420.db2.gz ULLQTRHOSBADBL-QHCPKHFHSA-N 0 0 441.918 5.500 50 0 biogenic IKAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(F)cc2)cc1 ZINC000017315094 569183465 /nfs/dbraw/zinc/18/34/65/569183465.db2.gz OPDBDACBEKWKRU-UHFFFAOYSA-N 0 0 445.519 5.697 50 0 IKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)cc1C)CO3 ZINC000002122187 569183560 /nfs/dbraw/zinc/18/35/60/569183560.db2.gz YKIOGWMNYPKBQC-UHFFFAOYSA-N 0 0 442.353 5.871 50 0 biogenic IKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)c1ccccc1n2CC)CO3 ZINC000002123016 569183779 /nfs/dbraw/zinc/18/37/79/569183779.db2.gz VGNWBTOKCMUHRO-UHFFFAOYSA-N 0 0 438.527 6.148 50 0 biogenic IKAARN CCn1c2ccccc2c2cc(N3COc4ccc5c6c(c(=O)oc5c4C3)CCC6)ccc21 ZINC000002125432 569183911 /nfs/dbraw/zinc/18/39/11/569183911.db2.gz OGXHZNGFUPERBC-UHFFFAOYSA-N 0 0 436.511 5.766 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Oc2ccccc2)cc1)CO3 ZINC000002126143 569184036 /nfs/dbraw/zinc/18/40/36/569184036.db2.gz MFFKZXOHRMVYGC-UHFFFAOYSA-N 0 0 441.527 6.593 50 0 biogenic IKAARN CCCCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000002128077 569184159 /nfs/dbraw/zinc/18/41/59/569184159.db2.gz PLCOJLWQCNEPCO-RRMBJHDJSA-N 0 0 432.608 5.981 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc4ccccc43)cc2o1 ZINC000002129028 569184332 /nfs/dbraw/zinc/18/43/32/569184332.db2.gz GZZIGJSCWWTILI-UHFFFAOYSA-N 0 0 446.458 6.299 50 0 biogenic IKAARN COc1ccc(CC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1OC ZINC000208010512 569184634 /nfs/dbraw/zinc/18/46/34/569184634.db2.gz JEYWDFDZQGSDPA-UHFFFAOYSA-N 0 0 448.519 5.815 50 0 IKAARN CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1 ZINC000208010796 569184647 /nfs/dbraw/zinc/18/46/47/569184647.db2.gz NTMFADGDQFYGAV-UHFFFAOYSA-N 0 0 446.503 5.836 50 0 IKAARN O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208006359 569184696 /nfs/dbraw/zinc/18/46/96/569184696.db2.gz ZSWNUHITHULNPW-WYMLVPIESA-N 0 0 434.546 5.361 50 0 IKAARN O=C(NCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002135236 569185309 /nfs/dbraw/zinc/18/53/09/569185309.db2.gz HHXHMNGKJMXVLJ-UHFFFAOYSA-N 0 0 435.483 5.084 50 0 biogenic IKAARN CCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000002138130 569185400 /nfs/dbraw/zinc/18/54/00/569185400.db2.gz MJLBZDDHZPUNCU-ZCUZSRHZSA-N 0 0 434.580 5.210 50 0 biogenic IKAARN CC(C)(C)n1nc2nc(NCCc3ccccc3)nc(-c3ccc(F)c(Cl)c3)c2c1N ZINC000037376278 569185622 /nfs/dbraw/zinc/18/56/22/569185622.db2.gz RJIFOAIKKWMLPJ-UHFFFAOYSA-N 0 0 438.938 5.278 50 0 IKAARN CC(C)n1nc(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)c2ccccc2c1=O ZINC000170642776 569185651 /nfs/dbraw/zinc/18/56/51/569185651.db2.gz KPMLUDCTRIKUNV-UHFFFAOYSA-N 0 0 439.487 5.164 50 0 IKAARN O=C(CCNc1ccc(I)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002521059 569185722 /nfs/dbraw/zinc/18/57/22/569185722.db2.gz KZNAUKVIJCAHHG-UHFFFAOYSA-N 0 0 427.285 5.643 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c(C)c1 ZINC000002506940 569185747 /nfs/dbraw/zinc/18/57/47/569185747.db2.gz WKXDKRUAUJRCNJ-UHFFFAOYSA-N 0 0 436.027 5.831 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)cc1 ZINC000002390239 569185753 /nfs/dbraw/zinc/18/57/53/569185753.db2.gz OKUBLVFIJHXSGC-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)N(c3ccccc3)C(C)C)nnc2-c2ccccc2)c1 ZINC000002507721 569185788 /nfs/dbraw/zinc/18/57/88/569185788.db2.gz HFQWDCZWEXXWOZ-UHFFFAOYSA-N 0 0 442.588 5.776 50 0 IKAARN Cc1ccc(SCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000002384478 569185790 /nfs/dbraw/zinc/18/57/90/569185790.db2.gz RQDAPLHQQQVSSP-UHFFFAOYSA-N 0 0 431.586 5.843 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(CSc2ccccc2)n1-c1ccccc1 ZINC000002544688 569185826 /nfs/dbraw/zinc/18/58/26/569185826.db2.gz JZIYPONFUUGILY-UHFFFAOYSA-N 0 0 446.601 5.599 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)c3cc(C)ccc3n2)cc1 ZINC000002578196 569185877 /nfs/dbraw/zinc/18/58/77/569185877.db2.gz JCJAGBAKDIHQIL-LJQANCHMSA-N 0 0 439.511 5.955 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(-c2ccco2)on1 ZINC000208011078 569186211 /nfs/dbraw/zinc/18/62/11/569186211.db2.gz PVZMUEUWAKDOED-UHFFFAOYSA-N 0 0 431.448 6.117 50 0 IKAARN Cc1cc(C)c2c(COc3ccc4c(c3)oc(C)c(-c3ccccc3)c4=O)cc(=O)oc2c1 ZINC000002148976 569187086 /nfs/dbraw/zinc/18/70/86/569187086.db2.gz HZWROWKBUARMGK-UHFFFAOYSA-N 0 0 438.479 6.071 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)cc2oc1=O ZINC000002149630 569187177 /nfs/dbraw/zinc/18/71/77/569187177.db2.gz WZWAQWDEGGLNOW-UHFFFAOYSA-N 0 0 435.303 5.483 50 0 biogenic IKAARN C=Cc1ccc(COc2ccc3c(c2)occ(Oc2ccc(C(=O)OC)cc2)c3=O)cc1 ZINC000002152502 569187467 /nfs/dbraw/zinc/18/74/67/569187467.db2.gz IBTAOEPWUHTVFT-UHFFFAOYSA-N 0 0 428.440 5.594 50 0 biogenic IKAARN CC(C)[C@]1(CCN(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)CCOC(C)(C)C1 ZINC000002152495 569187477 /nfs/dbraw/zinc/18/74/77/569187477.db2.gz QCSPUPYGJQOHOW-RUZDIDTESA-N 0 0 427.541 5.272 50 0 biogenic IKAARN CCOc1ccc2nc(SCC(=O)NCCc3c(C)[nH]c4ccc(F)cc43)sc2c1 ZINC000252493585 569187886 /nfs/dbraw/zinc/18/78/86/569187886.db2.gz NDKCKQKYVLYSJB-UHFFFAOYSA-N 0 0 443.569 5.075 50 0 IKAARN COc1ccc(-c2nc(CC(=O)Nc3ccc(Br)c(C)c3)cs2)cc1OC ZINC000015008769 569187953 /nfs/dbraw/zinc/18/79/53/569187953.db2.gz IDDHWBRVCNWHLF-UHFFFAOYSA-N 0 0 447.354 5.079 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)cc1 ZINC000252495210 569187977 /nfs/dbraw/zinc/18/79/77/569187977.db2.gz ONOUFHOCNXGTGB-UHFFFAOYSA-N 0 0 446.576 5.266 50 0 IKAARN C[C@H](c1nc2ccccc2[nH]1)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000252505166 569188231 /nfs/dbraw/zinc/18/82/31/569188231.db2.gz VQJCPVYIXLNWJA-GFCCVEGCSA-N 0 0 435.940 5.663 50 0 IKAARN COC(=O)CN1C(c2ccccc2Cl)=Nc2cc(Cl)ccc2[C@H]1c1ccccc1 ZINC000252507464 569188362 /nfs/dbraw/zinc/18/83/62/569188362.db2.gz WMMZPBFOTDRVEB-JOCHJYFZSA-N 0 0 425.315 5.650 50 0 IKAARN CCOc1cccc(COC(=O)Cc2c(Cl)cccc2Cl)c1OCc1ccccc1 ZINC000013134446 569188697 /nfs/dbraw/zinc/18/86/97/569188697.db2.gz IGJOOTYTRWNFSW-UHFFFAOYSA-N 0 0 445.342 6.257 50 0 IKAARN Cc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000034796659 569189683 /nfs/dbraw/zinc/18/96/83/569189683.db2.gz XFTUEDRHMZGCGZ-UHFFFAOYSA-N 0 0 443.473 6.038 50 0 IKAARN CC(C)[C@@H](c1nc2ccccc2[nH]1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000252540360 569190269 /nfs/dbraw/zinc/19/02/69/569190269.db2.gz PERTUKVDQKYVKM-NRFANRHFSA-N 0 0 429.549 5.646 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SC)sc4c3)sc2c1 ZINC000002176732 569190313 /nfs/dbraw/zinc/19/03/13/569190313.db2.gz DIMDHXFHOITYOZ-UHFFFAOYSA-N 0 0 447.632 5.757 50 0 IKAARN O=C1[C@H]2C(c3ccccc3)(c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000002178796 569190320 /nfs/dbraw/zinc/19/03/20/569190320.db2.gz ZVYHIKMMAYRFIB-ABYGYWHVSA-N 0 0 449.937 5.767 50 0 IKAARN CCCCCCc1cc2cc(C(=O)Nc3cccc(Br)c3)c(=O)oc2cc1O ZINC000002181951 569190388 /nfs/dbraw/zinc/19/03/88/569190388.db2.gz AJWHOYLWOMTONI-UHFFFAOYSA-N 0 0 444.325 5.636 50 0 IKAARN COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000002183218 569190428 /nfs/dbraw/zinc/19/04/28/569190428.db2.gz FGUYDHGJBALXBM-UHFFFAOYSA-N 0 0 426.303 6.364 50 0 IKAARN CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1 ZINC000002180740 569190430 /nfs/dbraw/zinc/19/04/30/569190430.db2.gz OSPSDXRZIFBQPY-UHFFFAOYSA-N 0 0 438.523 6.626 50 0 IKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C)C3)c1 ZINC000002185819 569190446 /nfs/dbraw/zinc/19/04/46/569190446.db2.gz OCNHZTDMDZVQNY-HNNXBMFYSA-N 0 0 438.980 6.339 50 0 IKAARN Cc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1ccc(-c2ccccc2)cc1 ZINC000002187021 569190480 /nfs/dbraw/zinc/19/04/80/569190480.db2.gz AKUPPTYXSAKWMZ-UHFFFAOYSA-N 0 0 438.508 6.144 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000002191532 569190490 /nfs/dbraw/zinc/19/04/90/569190490.db2.gz SWJRWPOBOGJNAR-UHFFFAOYSA-N 0 0 434.417 6.812 50 0 IKAARN CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000002192038 569190551 /nfs/dbraw/zinc/19/05/51/569190551.db2.gz XBKKXUCMPVNMNO-UHFFFAOYSA-N 0 0 425.888 5.774 50 0 IKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2cccc3ccccc32)n1 ZINC000002186966 569190537 /nfs/dbraw/zinc/19/05/37/569190537.db2.gz LRCFNOLYQLKWHU-UHFFFAOYSA-N 0 0 449.329 6.576 50 0 IKAARN C[C@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000002192036 569190566 /nfs/dbraw/zinc/19/05/66/569190566.db2.gz IXVKRBKFCNWEOQ-NSHDSACASA-N 0 0 446.306 6.038 50 0 IKAARN c1ccc(Oc2cc(Oc3ccccc3)c3c(c2)Oc2ccc4ccccc4c2N=C3)cc1 ZINC000002191639 569190571 /nfs/dbraw/zinc/19/05/71/569190571.db2.gz HMVLGUHBERQFSR-UHFFFAOYSA-N 0 0 429.475 8.281 50 0 IKAARN CC1(C)O[C@H](C(Cl)(Cl)Cl)Nc2c(Br)cc(Br)cc21 ZINC000002191659 569190631 /nfs/dbraw/zinc/19/06/31/569190631.db2.gz ICIIGTCYGXQHQW-SECBINFHSA-N 0 0 438.374 5.585 50 0 IKAARN O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cc2ccccc2oc1=O ZINC000002192566 569190829 /nfs/dbraw/zinc/19/08/29/569190829.db2.gz TWKKIDAPKAQPMO-UHFFFAOYSA-N 0 0 428.227 5.506 50 0 IKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000252550527 569190907 /nfs/dbraw/zinc/19/09/07/569190907.db2.gz SPHZXWUAUZTSSS-UHFFFAOYSA-N 0 0 443.959 6.327 50 0 IKAARN CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3nc12 ZINC000002199254 569191515 /nfs/dbraw/zinc/19/15/15/569191515.db2.gz VBGXCUUDRYNTOS-GFCCVEGCSA-N 0 0 444.413 5.010 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C3=O ZINC000002198792 569191525 /nfs/dbraw/zinc/19/15/25/569191525.db2.gz XQMREIJWUQOIMH-HXUWFJFHSA-N 0 0 440.282 5.747 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000037380314 569191656 /nfs/dbraw/zinc/19/16/56/569191656.db2.gz FLHTWRJAZWZLLO-SJKOYZFVSA-N 0 0 437.849 5.926 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N[C@H](C)CC)CCc2ccccc2)n1 ZINC000037382570 569191842 /nfs/dbraw/zinc/19/18/42/569191842.db2.gz LUEIGXPAKYKXIL-GOSISDBHSA-N 0 0 439.003 5.200 50 0 IKAARN Cc1ccccc1NC(=O)N1CCN(c2nc(-c3ccco3)nc3cc(Cl)ccc32)CC1 ZINC000037382986 569191962 /nfs/dbraw/zinc/19/19/62/569191962.db2.gz OEOCZPIWSVGEEY-UHFFFAOYSA-N 0 0 447.926 5.206 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3c(NCCNC(=O)c3cccc(F)c3)n2)cc1 ZINC000037383794 569191967 /nfs/dbraw/zinc/19/19/67/569191967.db2.gz DKEHGKZRYKSNNR-UHFFFAOYSA-N 0 0 434.902 5.240 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC2)cc1 ZINC000037383302 569191989 /nfs/dbraw/zinc/19/19/89/569191989.db2.gz QSJPQXLLZIRGFR-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN CC(C)CN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000037383395 569192021 /nfs/dbraw/zinc/19/20/21/569192021.db2.gz AITMLYPVGCZJSE-UHFFFAOYSA-N 0 0 428.536 5.059 50 0 IKAARN O=C(CCN(Cc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc21)NC1CC1 ZINC000037384470 569192079 /nfs/dbraw/zinc/19/20/79/569192079.db2.gz HAXSTFWXBHCBQQ-UHFFFAOYSA-N 0 0 446.938 5.219 50 0 IKAARN C[C@H](NC(=O)CCN(Cc1ccco1)c1nc(C2CC2)nc2ccccc21)c1ccccc1 ZINC000037384102 569192108 /nfs/dbraw/zinc/19/21/08/569192108.db2.gz NEJOCHPAKUPBDK-IBGZPJMESA-N 0 0 440.547 5.374 50 0 IKAARN CC(C)CNC(=O)CCN(Cc1ccco1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000037384301 569192110 /nfs/dbraw/zinc/19/21/10/569192110.db2.gz SHKUCWZUAYWXLV-UHFFFAOYSA-N 0 0 428.536 5.059 50 0 IKAARN C[C@@H]1CCCN1C(=O)/C=C1/Sc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000037384099 569192156 /nfs/dbraw/zinc/19/21/56/569192156.db2.gz MLVSDASZYKKCOS-OOWUWCJESA-N 0 0 446.494 5.239 50 0 IKAARN Cc1ccccc1-c1nc(OC(C)C)nn1-c1cccc(NC(=O)c2ccccc2F)c1 ZINC000037384950 569192279 /nfs/dbraw/zinc/19/22/79/569192279.db2.gz ABUKWUFXYGVEPR-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccc(F)cc3)cc2)cc1 ZINC000037384959 569192282 /nfs/dbraw/zinc/19/22/82/569192282.db2.gz GULJIBYOTRPUCN-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN COc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000037385006 569192291 /nfs/dbraw/zinc/19/22/91/569192291.db2.gz RICODEUGHUDJPN-UHFFFAOYSA-N 0 0 442.519 5.291 50 0 IKAARN COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n1 ZINC000037385093 569192297 /nfs/dbraw/zinc/19/22/97/569192297.db2.gz GISPQRNFJSNDLQ-UHFFFAOYSA-N 0 0 439.397 5.004 50 0 IKAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)o1 ZINC000002200518 569192393 /nfs/dbraw/zinc/19/23/93/569192393.db2.gz VSORMYANUPOQHR-IBGZPJMESA-N 0 0 432.432 5.193 50 0 IKAARN CC(C)Oc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037385387 569192395 /nfs/dbraw/zinc/19/23/95/569192395.db2.gz PDYCUWFKVRZCBX-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccco3)nc2c(C)c1 ZINC000002203851 569192868 /nfs/dbraw/zinc/19/28/68/569192868.db2.gz BCGZQJMDWYKIGK-FQEVSTJZSA-N 0 0 428.469 5.362 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)ccc2C(C)C)cc1 ZINC000002204318 569192928 /nfs/dbraw/zinc/19/29/28/569192928.db2.gz NPYPIZQTALBJAE-UHFFFAOYSA-N 0 0 442.559 5.973 50 0 IKAARN O=C(CCn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000037396945 569192949 /nfs/dbraw/zinc/19/29/49/569192949.db2.gz BJRQGWOAPMMQJW-UHFFFAOYSA-N 0 0 433.895 5.038 50 0 IKAARN CCC[C@H](C(=O)NCCc1ccccn1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037396846 569192964 /nfs/dbraw/zinc/19/29/64/569192964.db2.gz KVUXZZYIWSNZNM-XMMPIXPASA-N 0 0 446.982 5.376 50 0 IKAARN COc1cccc2cc(-c3cc(=O)oc4cc(OCc5cccc(F)c5)ccc43)c(=O)oc21 ZINC000002205754 569193069 /nfs/dbraw/zinc/19/30/69/569193069.db2.gz GZVWYPAPRLAGAZ-UHFFFAOYSA-N 0 0 444.414 5.293 50 0 IKAARN COc1cccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000037396751 569193072 /nfs/dbraw/zinc/19/30/72/569193072.db2.gz YXBPDWQJQDOTOE-UHFFFAOYSA-N 0 0 448.548 5.292 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1 ZINC000002205373 569193102 /nfs/dbraw/zinc/19/31/02/569193102.db2.gz SZMPENDAZWSSSJ-UHFFFAOYSA-N 0 0 440.341 6.128 50 0 IKAARN CCC[C@H](C(=O)N1CCCC1)n1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037397188 569193178 /nfs/dbraw/zinc/19/31/78/569193178.db2.gz WRHOKZXSMWLJJU-OAQYLSRUSA-N 0 0 430.379 5.898 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C)C(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037397141 569193194 /nfs/dbraw/zinc/19/31/94/569193194.db2.gz WUVKJZROVMVGPD-SFHVURJKSA-N 0 0 433.502 5.400 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2cc1C ZINC000037397379 569193234 /nfs/dbraw/zinc/19/32/34/569193234.db2.gz LHWHKSLLVOZOFZ-QGZVFWFLSA-N 0 0 445.494 5.311 50 0 IKAARN COc1ccc(NC(=O)CCn2c(Cc3ccc(F)cc3)nc3cc(C)c(C)cc32)cc1 ZINC000037397250 569193326 /nfs/dbraw/zinc/19/33/26/569193326.db2.gz ZNVWEWKFLJDPHH-UHFFFAOYSA-N 0 0 431.511 5.420 50 0 IKAARN CCC[C@@H](C(=O)NCCOC)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397255 569193419 /nfs/dbraw/zinc/19/34/19/569193419.db2.gz IGVMEKGWEOXGGM-FQEVSTJZSA-N 0 0 434.367 5.038 50 0 IKAARN CCC[C@@H](C(=O)N(C)CCC)n1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037397537 569193429 /nfs/dbraw/zinc/19/34/29/569193429.db2.gz NZTQNVADTISZEU-NRFANRHFSA-N 0 0 432.395 6.144 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1C ZINC000002206458 569193521 /nfs/dbraw/zinc/19/35/21/569193521.db2.gz XOPNGERFEJLCMQ-UHFFFAOYSA-N 0 0 427.479 5.216 50 0 IKAARN CCC[C@H](C(=O)NCc1ccc(F)cc1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037397505 569193622 /nfs/dbraw/zinc/19/36/22/569193622.db2.gz WFFCKOXFXOMYDW-XMMPIXPASA-N 0 0 433.502 5.563 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n(Cc3ccc(C(=O)N4CCCC4)cc3)c2cc1C ZINC000037398206 569193755 /nfs/dbraw/zinc/19/37/55/569193755.db2.gz BUZFDDVNLNZYOS-UHFFFAOYSA-N 0 0 441.550 5.667 50 0 IKAARN Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3Cl)cc2O)n1 ZINC000002208128 569193846 /nfs/dbraw/zinc/19/38/46/569193846.db2.gz GNDKZJAHPNUEMT-UHFFFAOYSA-N 0 0 438.314 5.984 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398488 569193891 /nfs/dbraw/zinc/19/38/91/569193891.db2.gz PTJQRMUMNJYWEG-NDEPHWFRSA-N 0 0 449.529 5.672 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)CO1 ZINC000002208293 569193896 /nfs/dbraw/zinc/19/38/96/569193896.db2.gz HCESPOOFZSIYOH-VWLOTQADSA-N 0 0 448.613 5.981 50 0 IKAARN CC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397975 569193927 /nfs/dbraw/zinc/19/39/27/569193927.db2.gz QTBKSTYRCWRBJW-HXUWFJFHSA-N 0 0 442.346 5.794 50 0 IKAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O ZINC000002208904 569194014 /nfs/dbraw/zinc/19/40/14/569194014.db2.gz MNVMGAWPKALQLK-UHFFFAOYSA-N 0 0 444.483 5.012 50 0 IKAARN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n([C@@H](C)C(=O)N3CCCC3)c2cc1C ZINC000037398860 569194153 /nfs/dbraw/zinc/19/41/53/569194153.db2.gz GNYUSQPAVJIMSW-INIZCTEOSA-N 0 0 430.379 5.734 50 0 IKAARN C[C@H](CNC(=O)/C=C\c1ccc(C(C)(C)C)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000252606615 569194504 /nfs/dbraw/zinc/19/45/04/569194504.db2.gz GTTTUPHLIOHOKJ-QJBQHJPBSA-N 0 0 446.635 5.629 50 0 IKAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)CC(C)(C)C ZINC000037400514 569194907 /nfs/dbraw/zinc/19/49/07/569194907.db2.gz RHBZPTPZHSVKGL-SFHVURJKSA-N 0 0 447.597 5.026 50 0 IKAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)C(C)C ZINC000037422971 569195559 /nfs/dbraw/zinc/19/55/59/569195559.db2.gz WPQIOSBRQDWWOT-HNNXBMFYSA-N 0 0 441.952 5.030 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nc3cc(Cl)ccc3o2)cc1 ZINC000037426676 569195774 /nfs/dbraw/zinc/19/57/74/569195774.db2.gz AMPRBBJZQFXSNE-UHFFFAOYSA-N 0 0 434.300 5.878 50 0 IKAARN Cc1cccc(-c2nc3ccccc3o2)c1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000037426653 569195828 /nfs/dbraw/zinc/19/58/28/569195828.db2.gz SZSUXEISZSRZBL-UHFFFAOYSA-N 0 0 433.407 5.590 50 0 IKAARN Cc1cccc(N(c2nc(-c3ccc(Cl)cc3)cs2)[C@H](C)C(=O)N2CCOCC2)c1 ZINC000037438456 569196357 /nfs/dbraw/zinc/19/63/57/569196357.db2.gz MMUPYPPMUHRWKJ-QGZVFWFLSA-N 0 0 441.984 5.157 50 0 IKAARN CC[C@H](C(=O)NCCOC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 ZINC000037439301 569196407 /nfs/dbraw/zinc/19/64/07/569196407.db2.gz WLZYNRJBOGSKAP-HXUWFJFHSA-N 0 0 447.963 5.282 50 0 IKAARN COc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000037439472 569196415 /nfs/dbraw/zinc/19/64/15/569196415.db2.gz XDJQDWARKNYKPI-LJQANCHMSA-N 0 0 443.572 5.834 50 0 IKAARN O=C(c1ccco1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439733 569196481 /nfs/dbraw/zinc/19/64/81/569196481.db2.gz JFVQQTBSDSFXCD-KRWDZBQOSA-N 0 0 429.303 5.422 50 0 IKAARN O=C(C1CCC1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440154 569196504 /nfs/dbraw/zinc/19/65/04/569196504.db2.gz QILCUKYUSNKCLV-GOSISDBHSA-N 0 0 435.326 5.454 50 0 IKAARN O=C(c1ccccc1F)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037439691 569196510 /nfs/dbraw/zinc/19/65/10/569196510.db2.gz YXAVOVXWBNGKIY-FQEVSTJZSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440030 569196549 /nfs/dbraw/zinc/19/65/49/569196549.db2.gz CSCALXNADWJBRE-IBGZPJMESA-N 0 0 428.916 5.376 50 0 IKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440548 569196573 /nfs/dbraw/zinc/19/65/73/569196573.db2.gz SYFHYHSQNMYGAX-KRWDZBQOSA-N 0 0 438.877 5.537 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440214 569196591 /nfs/dbraw/zinc/19/65/91/569196591.db2.gz FDLBHCJKRYDDCZ-LJQANCHMSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(C1CC1)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440164 569196631 /nfs/dbraw/zinc/19/66/31/569196631.db2.gz KMHPUHXWERRCGT-MRXNPFEDSA-N 0 0 437.754 5.579 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440211 569196637 /nfs/dbraw/zinc/19/66/37/569196637.db2.gz FDLBHCJKRYDDCZ-IBGZPJMESA-N 0 0 440.877 5.454 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440721 569196652 /nfs/dbraw/zinc/19/66/52/569196652.db2.gz VCKWZTBZNMDVTM-SFHVURJKSA-N 0 0 437.342 5.700 50 0 IKAARN COc1ccc(N(CC(=O)NCc2ccc(F)cc2)c2nc(C(C)(C)C)cs2)cc1 ZINC000037440330 569196656 /nfs/dbraw/zinc/19/66/56/569196656.db2.gz POMVCPZDZYYTFW-UHFFFAOYSA-N 0 0 427.545 5.043 50 0 IKAARN O=C(C1CC1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440913 569196732 /nfs/dbraw/zinc/19/67/32/569196732.db2.gz MMDBOESZUKWAHQ-INIZCTEOSA-N 0 0 439.289 5.203 50 0 IKAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)C(=O)C(C)C)c1 ZINC000037440919 569196775 /nfs/dbraw/zinc/19/67/75/569196775.db2.gz UELKCBZYBLPXSP-SFHVURJKSA-N 0 0 435.351 5.180 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441566 569196860 /nfs/dbraw/zinc/19/68/60/569196860.db2.gz XMRDKAVIUUSTPA-OAQYLSRUSA-N 0 0 448.460 5.557 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441619 569196862 /nfs/dbraw/zinc/19/68/62/569196862.db2.gz XCPCAWYJIDOXOE-QFIPXVFZSA-N 0 0 440.877 5.454 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)NC(C)(C)C)C2)cc1 ZINC000037442046 569196911 /nfs/dbraw/zinc/19/69/11/569196911.db2.gz QAXMFMROQYGEAZ-FQEVSTJZSA-N 0 0 447.501 5.517 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)NC(C)C)C2)cc1 ZINC000037442041 569196913 /nfs/dbraw/zinc/19/69/13/569196913.db2.gz FRQDATCCBJQKCJ-FQEVSTJZSA-N 0 0 433.474 5.127 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CC(C)(C)C)C1 ZINC000037441954 569196918 /nfs/dbraw/zinc/19/69/18/569196918.db2.gz JXWQBCIYQBNLPU-HXUWFJFHSA-N 0 0 446.513 5.972 50 0 IKAARN O=C(C1CCC1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441940 569196928 /nfs/dbraw/zinc/19/69/28/569196928.db2.gz UPOLLMZNXPSRBK-HXUWFJFHSA-N 0 0 434.433 5.166 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(Cc1ccccc1)C(=O)c1cccs1 ZINC000037441859 569196963 /nfs/dbraw/zinc/19/69/63/569196963.db2.gz BMGVKTDXKSSLKG-UHFFFAOYSA-N 0 0 447.604 5.395 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2F)C(=O)c2cccc(F)c2)C1 ZINC000037441718 569196966 /nfs/dbraw/zinc/19/69/66/569196966.db2.gz KYHLVWVADWXOQD-NRFANRHFSA-N 0 0 438.449 5.248 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441942 569196975 /nfs/dbraw/zinc/19/69/75/569196975.db2.gz YLMJLWOPUBWMLX-FQEVSTJZSA-N 0 0 436.449 5.412 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)NC(C)C)C2)cc1 ZINC000037442044 569196982 /nfs/dbraw/zinc/19/69/82/569196982.db2.gz FRQDATCCBJQKCJ-HXUWFJFHSA-N 0 0 433.474 5.127 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000037443259 569197028 /nfs/dbraw/zinc/19/70/28/569197028.db2.gz BVHUXMUJUMVRIX-RGNVDHMSSA-N 0 0 439.943 5.002 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000037443255 569197046 /nfs/dbraw/zinc/19/70/46/569197046.db2.gz BVHUXMUJUMVRIX-SKDDIYDISA-N 0 0 439.943 5.002 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000037442198 569197055 /nfs/dbraw/zinc/19/70/55/569197055.db2.gz FQQLRQOLQGODKX-UHFFFAOYSA-N 0 0 439.575 5.319 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1C1CCCCCC1 ZINC000037443179 569197087 /nfs/dbraw/zinc/19/70/87/569197087.db2.gz KERICWJOCQWXKL-MIAKESKMSA-N 0 0 441.641 5.335 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000037443574 569197196 /nfs/dbraw/zinc/19/71/96/569197196.db2.gz WHRPOXPQODWNDB-WUBMGLGTSA-N 0 0 447.579 5.211 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000007668890 569197285 /nfs/dbraw/zinc/19/72/85/569197285.db2.gz GCRYWHNZVWAVDF-UHFFFAOYSA-N 0 0 425.532 5.885 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000037452550 569197314 /nfs/dbraw/zinc/19/73/14/569197314.db2.gz ZUUPHZTYDWRDTE-KSMMKXTCSA-N 0 0 443.927 5.325 50 0 IKAARN CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000252614621 569197509 /nfs/dbraw/zinc/19/75/09/569197509.db2.gz JLAXNZYKTBJPDU-DGWZTRNLSA-N 0 0 433.573 5.467 50 0 IKAARN CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000252614622 569197524 /nfs/dbraw/zinc/19/75/24/569197524.db2.gz JLAXNZYKTBJPDU-MZKUHISZSA-N 0 0 433.573 5.467 50 0 IKAARN Cc1ccc(Oc2cc(C(F)(F)F)nc(SCc3c(F)cccc3F)n2)cc1C ZINC000037510866 569198026 /nfs/dbraw/zinc/19/80/26/569198026.db2.gz HXNSVHUKNDGDPG-UHFFFAOYSA-N 0 0 426.410 6.475 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)cc1OC 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434.561 5.349 50 0 IKAARN Cc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037526495 569199210 /nfs/dbraw/zinc/19/92/10/569199210.db2.gz INFVSQXZKJWOEX-UHFFFAOYSA-N 0 0 430.617 6.629 50 0 IKAARN Cc1cccc(CNC(=O)c2cc3sccc3n2Cc2ccc(Br)cc2)c1 ZINC000037526744 569199234 /nfs/dbraw/zinc/19/92/34/569199234.db2.gz ZHINAXZZGSAAPO-UHFFFAOYSA-N 0 0 439.378 5.752 50 0 IKAARN CCCn1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2sc(Br)cc21 ZINC000037542196 569199320 /nfs/dbraw/zinc/19/93/20/569199320.db2.gz SVUDOTBVGMVZQM-UHFFFAOYSA-N 0 0 445.304 5.824 50 0 IKAARN Cc1ccc(Cn2c(C(=O)NCc3ccccc3)cc3sc(Br)cc32)cc1 ZINC000037542597 569199418 /nfs/dbraw/zinc/19/94/18/569199418.db2.gz PIWCCQYTBLSVRA-UHFFFAOYSA-N 0 0 439.378 5.752 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c(C(C)C)cc1Cl ZINC000007738399 569199424 /nfs/dbraw/zinc/19/94/24/569199424.db2.gz PLAIMUKPNMNSFZ-UHFFFAOYSA-N 0 0 425.960 5.865 50 0 IKAARN COc1ccccc1CCNC(=O)c1cc2scc(Br)c2n1CC1CCC1 ZINC000037543343 569199466 /nfs/dbraw/zinc/19/94/66/569199466.db2.gz HBERWILYEDPMLL-UHFFFAOYSA-N 0 0 447.398 5.247 50 0 IKAARN Cc1ccc(Cn2c(C(=O)NCc3ccco3)cc3sc(Br)cc32)cc1 ZINC000037542365 569199478 /nfs/dbraw/zinc/19/94/78/569199478.db2.gz NQZOVDZYXYIVAY-UHFFFAOYSA-N 0 0 429.339 5.345 50 0 IKAARN O=C(c1cc2scc(Br)c2n1Cc1ccc(F)cc1F)N1CCCC1 ZINC000037543715 569199504 /nfs/dbraw/zinc/19/95/04/569199504.db2.gz WKNONBIWENJRPV-UHFFFAOYSA-N 0 0 425.298 5.028 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1=O ZINC000037543549 569199547 /nfs/dbraw/zinc/19/95/47/569199547.db2.gz JFAPRDUOTIHVPJ-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1ccccc1CCNC(=O)c1cc2scc(Br)c2n1CC=C(C)C ZINC000037543747 569199565 /nfs/dbraw/zinc/19/95/65/569199565.db2.gz OXXVCFAKDJQZRI-UHFFFAOYSA-N 0 0 447.398 5.413 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(NC(=O)OCc4ccccc4)cc3)C2=O)c1 ZINC000037544037 569199612 /nfs/dbraw/zinc/19/96/12/569199612.db2.gz KFWLRTIVBDIPAW-UHFFFAOYSA-N 0 0 429.520 5.576 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037541731 569199723 /nfs/dbraw/zinc/19/97/23/569199723.db2.gz BEAFTMAHGHFBLA-UHFFFAOYSA-N 0 0 439.378 5.786 50 0 IKAARN Cc1ccc(Cn2c(C(=O)NCc3cccnc3)cc3scc(Br)c32)cc1 ZINC000037541814 569199807 /nfs/dbraw/zinc/19/98/07/569199807.db2.gz KGYMXAHXILFMNN-UHFFFAOYSA-N 0 0 440.366 5.147 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037547013 569199829 /nfs/dbraw/zinc/19/98/29/569199829.db2.gz JNDUPLDDVISAQF-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037546952 569199837 /nfs/dbraw/zinc/19/98/37/569199837.db2.gz LVXRIJKBUAOOSO-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)Nc1cccc(C)c1 ZINC000037546955 569199863 /nfs/dbraw/zinc/19/98/63/569199863.db2.gz RBMWYQHFHWGRIU-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(F)cc1 ZINC000037547036 569199874 /nfs/dbraw/zinc/19/98/74/569199874.db2.gz KKQBMBVHPNFBHD-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccc(C)cc2)c1CCC(=O)Nc1cccc(F)c1 ZINC000037547056 569199918 /nfs/dbraw/zinc/19/99/18/569199918.db2.gz STPYTCKCVYIRMP-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCc1ccccc1 ZINC000037547118 569199942 /nfs/dbraw/zinc/19/99/42/569199942.db2.gz AQRWVHWLCQKTCC-UHFFFAOYSA-N 0 0 447.485 5.500 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2)c1CCC(=O)Nc1ccccc1F ZINC000037547105 569199958 /nfs/dbraw/zinc/19/99/58/569199958.db2.gz BCLSGILVJOEGJG-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN COc1ccccc1Oc1c(CCC(=O)Nc2ccccc2)c(C)nn1-c1ccc(F)cc1 ZINC000037547260 569200050 /nfs/dbraw/zinc/20/00/50/569200050.db2.gz SHLLMJYOTHXXIO-UHFFFAOYSA-N 0 0 445.494 5.692 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037547279 569200105 /nfs/dbraw/zinc/20/01/05/569200105.db2.gz LNIZJDGZODDYFV-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2CC[C@H](c3cccc(C)c3)N(C(=O)c3cccc(F)c3)C2)cc1 ZINC000037546566 569200216 /nfs/dbraw/zinc/20/02/16/569200216.db2.gz KWQBQXDWALYIGY-PXDATVDWSA-N 0 0 446.522 5.375 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2F)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037546768 569200236 /nfs/dbraw/zinc/20/02/36/569200236.db2.gz HMCRDTLZJXPJGQ-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN C[C@H](NC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1)c1ccccc1 ZINC000037546619 569200245 /nfs/dbraw/zinc/20/02/45/569200245.db2.gz OYYHRMLMOQQSLS-RMUDUWAUSA-N 0 0 441.575 5.227 50 0 IKAARN O=C(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)Nc1cccc(F)c1 ZINC000037555030 569200467 /nfs/dbraw/zinc/20/04/67/569200467.db2.gz XSNALRIRBDOWPV-UHFFFAOYSA-N 0 0 426.491 6.411 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037555378 569200541 /nfs/dbraw/zinc/20/05/41/569200541.db2.gz RXRLAAGXTCSHGV-UHFFFAOYSA-N 0 0 448.566 5.701 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)CC(C)C)cc2)c1 ZINC000037556777 569200645 /nfs/dbraw/zinc/20/06/45/569200645.db2.gz QPSRTYDUAQUYMA-UHFFFAOYSA-N 0 0 432.539 5.895 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C(C)=C2C(=O)OC(C)C)c1 ZINC000037576204 569201316 /nfs/dbraw/zinc/20/13/16/569201316.db2.gz YMLXPXIPMVQELK-JOCHJYFZSA-N 0 0 427.491 5.323 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1Cc1ccccc1 ZINC000037575756 569201510 /nfs/dbraw/zinc/20/15/10/569201510.db2.gz WDAOQDJJCUMNCK-FQEVSTJZSA-N 0 0 431.454 5.447 50 0 IKAARN O=c1[nH]n(C2CCCC2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000002211726 569201534 /nfs/dbraw/zinc/20/15/34/569201534.db2.gz JGFIRXFEJDRWCT-JOCHJYFZSA-N 0 0 435.549 5.058 50 0 IKAARN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccc(F)c3F)CC2)cc1 ZINC000037580750 569202016 /nfs/dbraw/zinc/20/20/16/569202016.db2.gz LPVDCLXTIYONIB-UHFFFAOYSA-N 0 0 438.493 5.724 50 0 IKAARN Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587618 569202080 /nfs/dbraw/zinc/20/20/80/569202080.db2.gz 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CCC(=O)N1CCc2ccc(OCC(=O)Nc3cccc(F)c3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602005 569202386 /nfs/dbraw/zinc/20/23/86/569202386.db2.gz ZYSJYKFONDRJHI-MHZLTWQESA-N 0 0 446.522 5.036 50 0 IKAARN CCC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602384 569202388 /nfs/dbraw/zinc/20/23/88/569202388.db2.gz JQHAGCDUDIVXBO-MUUNZHRXSA-N 0 0 442.559 5.205 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4Cl)c32)CO1 ZINC000002214430 569202782 /nfs/dbraw/zinc/20/27/82/569202782.db2.gz RTPNNUBIVCBRGN-FQEVSTJZSA-N 0 0 437.055 6.600 50 0 IKAARN COc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1OC ZINC000002214803 569202806 /nfs/dbraw/zinc/20/28/06/569202806.db2.gz MBWZLZHAECSBIC-UHFFFAOYSA-N 0 0 438.531 5.950 50 0 IKAARN Nc1c(Br)cc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1Br ZINC000002214288 569202822 /nfs/dbraw/zinc/20/28/22/569202822.db2.gz KQUISUNPPYVJDD-UHFFFAOYSA-N 0 0 436.918 5.909 50 0 IKAARN CC(C)[C@@H]1Cc2c(sc3nc(-c4ccccc4)nc(SCc4ccccc4)c23)CO1 ZINC000002215076 569202941 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CCC[C@@H]1Cc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000002221633 569204563 /nfs/dbraw/zinc/20/45/63/569204563.db2.gz FKGVRTNMPHVAFH-CYBMUJFWSA-N 0 0 433.986 5.143 50 0 IKAARN CC(C)[C@@H]1Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 ZINC000002221575 569204620 /nfs/dbraw/zinc/20/46/20/569204620.db2.gz ISOBIOLLZUUAHD-AWEZNQCLSA-N 0 0 440.421 5.970 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000002221259 569204625 /nfs/dbraw/zinc/20/46/25/569204625.db2.gz IVHJOQPFXLYZNQ-UHFFFAOYSA-N 0 0 447.516 5.029 50 0 IKAARN CCCn1c(=O)c2c(nc1SCc1ccccc1C)-c1ccccc1CC21CCCCC1 ZINC000002224120 569204678 /nfs/dbraw/zinc/20/46/78/569204678.db2.gz JNEZLCMGFFNGIR-UHFFFAOYSA-N 0 0 444.644 6.679 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CCc2ccccc2)cc1 ZINC000002224728 569204800 /nfs/dbraw/zinc/20/48/00/569204800.db2.gz CQBLLBVQBQKBTO-UHFFFAOYSA-N 0 0 448.617 5.543 50 0 IKAARN CCc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)cc4)n21)CC(C)(C)OC3 ZINC000002224319 569204803 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O=C(Nc1ccccc1)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(F)c1 ZINC000027474903 569214132 /nfs/dbraw/zinc/21/41/32/569214132.db2.gz NQXPOMKGWVHCKU-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN CCOc1ccc(-n2c(N)c(C(=O)Nc3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002252517 569214267 /nfs/dbraw/zinc/21/42/67/569214267.db2.gz QTBVJPNCVIEEQK-UHFFFAOYSA-N 0 0 437.503 5.115 50 0 IKAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000002245381 569214300 /nfs/dbraw/zinc/21/43/00/569214300.db2.gz DPTMDAQMOAWFMQ-UCGGBYDDSA-N 0 0 448.547 6.816 50 0 IKAARN CCc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 ZINC000002247560 569214585 /nfs/dbraw/zinc/21/45/85/569214585.db2.gz NUNWYRIXMWZMIZ-UHFFFAOYSA-N 0 0 429.321 5.961 50 0 IKAARN Fc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 ZINC000002247525 569214616 /nfs/dbraw/zinc/21/46/16/569214616.db2.gz BBVYPBPYLMIYJS-NHCUHLMSSA-N 0 0 436.899 5.345 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)cc1Cl ZINC000002247944 569214625 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Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2c[nH]c3ccccc23)cc1 ZINC000009489826 569215564 /nfs/dbraw/zinc/21/55/64/569215564.db2.gz GIDFCHSJFUTQEK-NRFANRHFSA-N 0 0 431.586 6.008 50 0 IKAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n21)CCC3 ZINC000002260366 569215718 /nfs/dbraw/zinc/21/57/18/569215718.db2.gz VFPMXCMJCMOLRA-UHFFFAOYSA-N 0 0 447.010 5.178 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)c(C)c1 ZINC000027496133 569215720 /nfs/dbraw/zinc/21/57/20/569215720.db2.gz DGYJNNWQJKPUER-UHFFFAOYSA-N 0 0 426.541 6.219 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002260458 569215737 /nfs/dbraw/zinc/21/57/37/569215737.db2.gz SNAIJYHPVSGEBJ-UHFFFAOYSA-N 0 0 445.954 5.963 50 0 IKAARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000002263401 569215954 /nfs/dbraw/zinc/21/59/54/569215954.db2.gz JTCQHBAZHORCTE-AOMKIAJQSA-N 0 0 437.565 5.304 50 0 IKAARN COc1ccc(-n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002262365 569215963 /nfs/dbraw/zinc/21/59/63/569215963.db2.gz BFABAGBAHZPOGN-UHFFFAOYSA-N 0 0 437.503 5.034 50 0 IKAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2cccc(F)c2)o1 ZINC000002264024 569216056 /nfs/dbraw/zinc/21/60/56/569216056.db2.gz AOZRINSAAVCDFF-SFHVURJKSA-N 0 0 429.517 5.310 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1Cl ZINC000002264388 569216083 /nfs/dbraw/zinc/21/60/83/569216083.db2.gz MKQDAMNZXZGVFS-UHFFFAOYSA-N 0 0 434.927 5.607 50 0 IKAARN COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1 ZINC000002269492 569216329 /nfs/dbraw/zinc/21/63/29/569216329.db2.gz DFGQXUPMBWISSL-UHFFFAOYSA-N 0 0 426.303 6.364 50 0 IKAARN Cc1ccc(Oc2ccc(N3C(=O)c4ccc(NC(=O)c5ccccc5)cc4C3=O)cc2)cc1 ZINC000027500204 569216428 /nfs/dbraw/zinc/21/64/28/569216428.db2.gz CBNOPNYIIDNDNG-UHFFFAOYSA-N 0 0 448.478 5.840 50 0 IKAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000027500351 569216514 /nfs/dbraw/zinc/21/65/14/569216514.db2.gz LMLDJXNOVJCPSY-BKUYFWCQSA-N 0 0 434.289 5.373 50 0 IKAARN CCOc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000002253360 569216580 /nfs/dbraw/zinc/21/65/80/569216580.db2.gz KAMVAJZHFZUUMD-UHFFFAOYSA-N 0 0 448.950 5.975 50 0 IKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000002253530 569216581 /nfs/dbraw/zinc/21/65/81/569216581.db2.gz XUPKWMCYOHNGIJ-UHFFFAOYSA-N 0 0 449.890 5.516 50 0 IKAARN CSC1=NC2=NC3=C([C@@H](c4ccccc4)Oc4ccccc43)[C@@H](c3ccc(C)cc3)N2N1 ZINC000002253435 569216593 /nfs/dbraw/zinc/21/65/93/569216593.db2.gz ZCKRVNLUKYRHRJ-DNQXCXABSA-N 0 0 438.556 5.490 50 0 IKAARN CSC1=NC2=NC3=C([C@@H](c4ccc(C)cc4)N2N1)[C@H](c1ccccc1)Oc1ccccc13 ZINC000002253433 569216615 /nfs/dbraw/zinc/21/66/15/569216615.db2.gz ZCKRVNLUKYRHRJ-RPWUZVMVSA-N 0 0 438.556 5.490 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000002254025 569216704 /nfs/dbraw/zinc/21/67/04/569216704.db2.gz QPEYPTRPRMVWMZ-PKTZIBPZSA-N 0 0 448.860 5.422 50 0 IKAARN COc1ccccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000002255395 569216833 /nfs/dbraw/zinc/21/68/33/569216833.db2.gz KVGJOSCNHLEHNX-HHHXNRCGSA-N 0 0 445.515 5.198 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000002256248 569216868 /nfs/dbraw/zinc/21/68/68/569216868.db2.gz VRKMJBZOEIIDHI-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002256140 569216928 /nfs/dbraw/zinc/21/69/28/569216928.db2.gz LVQQGWHHVQFJNP-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)cc3)no1)cn2Cc1cc(C)ccc1C ZINC000009941317 569217125 /nfs/dbraw/zinc/21/71/25/569217125.db2.gz NKYVRIODRBGPIU-UHFFFAOYSA-N 0 0 449.554 6.254 50 0 IKAARN COc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000002270593 569217163 /nfs/dbraw/zinc/21/71/63/569217163.db2.gz QOYCHTXDYJFLOX-UHFFFAOYSA-N 0 0 434.586 5.279 50 0 IKAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000002272117 569217632 /nfs/dbraw/zinc/21/76/32/569217632.db2.gz KNRYXYGFXFAXBV-GOSISDBHSA-N 0 0 428.263 5.835 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002272039 569217680 /nfs/dbraw/zinc/21/76/80/569217680.db2.gz JDOBVCBMMTUNJD-UHFFFAOYSA-N 0 0 444.644 6.609 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002272437 569217706 /nfs/dbraw/zinc/21/77/06/569217706.db2.gz KGDFTGTZTHPTDS-QGZVFWFLSA-N 0 0 426.651 6.159 50 0 IKAARN CC(C)CC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CC(C)C)cc3)nc2)cc1 ZINC000002273019 569217730 /nfs/dbraw/zinc/21/77/30/569217730.db2.gz NABFAELDSUBCSS-UHFFFAOYSA-N 0 0 430.552 5.780 50 0 IKAARN Cc1ccc(-n2c3nnc(SCCC(C)C)n3c3sc4c(c3c2=O)CCCC4)cc1 ZINC000002272641 569217772 /nfs/dbraw/zinc/21/77/72/569217772.db2.gz DBCGGEKDSAJCRY-UHFFFAOYSA-N 0 0 438.622 5.420 50 0 IKAARN c1ccc(CSc2nnc3c4c5c(sc4nc(-c4ccccc4)n23)CCCC5)cc1 ZINC000002273078 569217805 /nfs/dbraw/zinc/21/78/05/569217805.db2.gz ZMVBDRRMRPXMAJ-UHFFFAOYSA-N 0 0 428.586 6.177 50 0 IKAARN Cc1ccc(CSc2nnc(-c3cccc(NC(=O)/C=C/c4ccccc4)c3)n2C)cc1 ZINC000002276368 569217904 /nfs/dbraw/zinc/21/79/04/569217904.db2.gz DOUIAMPUEOWXSP-FOCLMDBBSA-N 0 0 440.572 5.735 50 0 IKAARN O=C(/C=C/c1cccc(Cl)c1Cl)Nc1cc2cc(Br)ccc2oc1=O ZINC000027520424 569217960 /nfs/dbraw/zinc/21/79/60/569217960.db2.gz MSBYLWKYSXCHOC-QPJJXVBHSA-N 0 0 439.092 5.514 50 0 IKAARN COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000027520507 569218104 /nfs/dbraw/zinc/21/81/04/569218104.db2.gz KVYDENUIEGTBGT-VYIQYICTSA-N 0 0 439.298 6.233 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4cc(Br)ccc4Cl)c3)nc2c1 ZINC000027519584 569218106 /nfs/dbraw/zinc/21/81/06/569218106.db2.gz DXRAIFFPXXBZIT-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccccc2)cc1 ZINC000027520481 569218135 /nfs/dbraw/zinc/21/81/35/569218135.db2.gz SKOBEZQTDQHMKP-UHFFFAOYSA-N 0 0 449.373 6.800 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000027520297 569218206 /nfs/dbraw/zinc/21/82/06/569218206.db2.gz UHARYCJODWQLSB-UHFFFAOYSA-N 0 0 449.293 7.314 50 0 IKAARN O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000027521725 569218235 /nfs/dbraw/zinc/21/82/35/569218235.db2.gz WLXKLOJCHPNVPO-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000027519847 569218243 /nfs/dbraw/zinc/21/82/43/569218243.db2.gz FLJVFFWDBAGAGF-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000027521117 569218272 /nfs/dbraw/zinc/21/82/72/569218272.db2.gz UTAGUDYKUKRZPM-OAQYLSRUSA-N 0 0 426.335 6.020 50 0 IKAARN COc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000027521325 569218404 /nfs/dbraw/zinc/21/84/04/569218404.db2.gz MOTYYVZSXADRPS-HMAPJEAMSA-N 0 0 438.886 5.206 50 0 IKAARN O=C1CS[C@H](c2ccc(CCCCCCCO)cc2)N1c1ccc(Br)cc1 ZINC000027521333 569218444 /nfs/dbraw/zinc/21/84/44/569218444.db2.gz SSCQJQLMPZGKGB-JOCHJYFZSA-N 0 0 448.426 5.713 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000027521261 569218447 /nfs/dbraw/zinc/21/84/47/569218447.db2.gz ZMNCIKQJVDBURD-UHFFFAOYSA-N 0 0 448.238 5.951 50 0 IKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000027521798 569218944 /nfs/dbraw/zinc/21/89/44/569218944.db2.gz CTKMMPCPCLYYOH-XYGWBWBKSA-N 0 0 448.513 6.025 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2C(=O)OC)C1 ZINC000002092795 569256463 /nfs/dbraw/zinc/25/64/63/569256463.db2.gz GPUFBDGDSHCGJK-NZSAHSFTSA-N 0 0 425.594 5.818 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@@H]2[C@H]1c1cccs1 ZINC000013881940 569256762 /nfs/dbraw/zinc/25/67/62/569256762.db2.gz VEDPLASXZAZMKR-FTKQNEHJSA-N 0 0 439.631 6.257 50 0 IKAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000013128425 569256767 /nfs/dbraw/zinc/25/67/67/569256767.db2.gz NYCDSYQGKJMODO-VAMGGRTRSA-N 0 0 449.620 5.023 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)N(c1ccc(C)cc1)[C@H](O)C2 ZINC000019798666 569256934 /nfs/dbraw/zinc/25/69/34/569256934.db2.gz ZVLSZTMWFVUJKU-VWNXMTODSA-N 0 0 444.358 5.790 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2-c2cnc3c(c2)COc2ccc(C)cc2-3)cc1 ZINC000019898012 569257013 /nfs/dbraw/zinc/25/70/13/569257013.db2.gz PAFMIBQKXZROQU-UHFFFAOYSA-N 0 0 431.491 6.902 50 0 IKAARN Cc1ccc2occ([C@H]3Sc4ccccc4N=C4c5cc(C)ccc5OC[C@H]43)c(=O)c2c1 ZINC000019863179 569257019 /nfs/dbraw/zinc/25/70/19/569257019.db2.gz HELOETTVEIIPCN-WINIVTDRSA-N 0 0 439.536 6.386 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3coc4ccccc4c3=O)[C@H]1CO2 ZINC000019863174 569257046 /nfs/dbraw/zinc/25/70/46/569257046.db2.gz KZMLIDOVAPSFBQ-HFJWLAOPSA-N 0 0 425.509 6.078 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc4c(c3)N(C)C(=O)CO4)n2)cc1 ZINC000019863145 569257068 /nfs/dbraw/zinc/25/70/68/569257068.db2.gz QTPHDVDCFRSHFA-UHFFFAOYSA-N 0 0 440.930 6.400 50 0 IKAARN Cc1ccc2c(c1)-c1ncc(-c3c4ccccc4oc3[C@@H](O)c3ccc(F)cc3)cc1CO2 ZINC000019898068 569257106 /nfs/dbraw/zinc/25/71/06/569257106.db2.gz CUMXGQOTFHJMNT-MHZLTWQESA-N 0 0 437.470 6.583 50 0 IKAARN O=c1c2ccccc2occ1[C@H]1Sc2ccccc2N=C2c3cc(Cl)ccc3OC[C@@H]21 ZINC000019898054 569257157 /nfs/dbraw/zinc/25/71/57/569257157.db2.gz QNEDIBGQOIOQRG-GKVSMKOHSA-N 0 0 445.927 6.423 50 0 IKAARN CC(C)C[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019926460 569257250 /nfs/dbraw/zinc/25/72/50/569257250.db2.gz HJGCGEGKKPEZRX-ISKFKSNPSA-N 0 0 435.365 6.518 50 0 IKAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1OC ZINC000019926468 569257291 /nfs/dbraw/zinc/25/72/91/569257291.db2.gz CFYAXJUSSLKAJA-UFHPHHKVSA-N 0 0 436.511 6.099 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000025869015 569257336 /nfs/dbraw/zinc/25/73/36/569257336.db2.gz TUUJJXLBOOVUJA-UNMCSNQZSA-N 0 0 445.788 6.552 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)C(=O)CCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000036371708 569257784 /nfs/dbraw/zinc/25/77/84/569257784.db2.gz UOYOJYKLYHOIHZ-ZVIKMLOESA-N 0 0 442.684 7.139 50 0 IKAARN 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]3C(=O)C[C@@]21C ZINC000043758816 569257844 /nfs/dbraw/zinc/25/78/44/569257844.db2.gz YWMXOBLUILSCFX-MYPUIUAESA-N 0 0 446.628 5.345 50 0 IKAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000044125820 569257888 /nfs/dbraw/zinc/25/78/88/569257888.db2.gz NSRLWNNZHGRGJS-WRRPKXNSSA-N 0 0 440.624 6.293 50 0 IKAARN CN1CCc2c3ccccc3[nH]c2[C@]12C[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000071769196 569258590 /nfs/dbraw/zinc/25/85/90/569258590.db2.gz KZSQEBJGYVKTAF-FYBSXPHGSA-N 0 0 430.551 6.576 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000100731120 569258719 /nfs/dbraw/zinc/25/87/19/569258719.db2.gz JWPFNQGFLLGXRP-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN COC(=O)c1cc(Cl)cc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000166371717 569258920 /nfs/dbraw/zinc/25/89/20/569258920.db2.gz IBXPHPUBYRFDLP-UHFFFAOYSA-N 0 0 428.915 6.498 50 0 IKAARN CC(=O)N1CCC2(CC1)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000218637963 569259010 /nfs/dbraw/zinc/25/90/10/569259010.db2.gz KFQFRSRRRVCZKJ-UHFFFAOYSA-N 0 0 435.159 5.120 50 0 IKAARN Cc1cc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc(C)c1Cl ZINC000027522710 569261624 /nfs/dbraw/zinc/26/16/24/569261624.db2.gz QDKWEWUPCWURHN-UHFFFAOYSA-N 0 0 433.891 5.748 50 0 IKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000256547571 569262956 /nfs/dbraw/zinc/26/29/56/569262956.db2.gz CZSGREWSSMQULY-DNQVGQLGSA-N 0 0 428.745 8.821 50 0 IKAARN Cc1cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n(-c2ccc(C)cc2)n1 ZINC000011851866 569262989 /nfs/dbraw/zinc/26/29/89/569262989.db2.gz VFIATPVAHPWGTA-UHFFFAOYSA-N 0 0 431.728 5.217 50 0 IKAARN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3C(=O)C[C@]21C ZINC000257347290 569263035 /nfs/dbraw/zinc/26/30/35/569263035.db2.gz CMEBYDLSQUFGEM-YVHVDXDRSA-N 0 0 440.668 7.059 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@]21C)OCCO5 ZINC000257347618 569263063 /nfs/dbraw/zinc/26/30/63/569263063.db2.gz NCAQEOULCQQMGY-YMKXYDDHSA-N 0 0 430.717 7.851 50 0 IKAARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000027527482 569263163 /nfs/dbraw/zinc/26/31/63/569263163.db2.gz WCFWFFQNKYSKKP-UHFFFAOYSA-N 0 0 444.705 5.408 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C(=O)Nc4ccccc4)CC[C@]32C)C1 ZINC000257347871 569263218 /nfs/dbraw/zinc/26/32/18/569263218.db2.gz XMWPQZREYSBONJ-SNPPVBCSSA-N 0 0 449.635 6.526 50 0 IKAARN CCCC1CCC(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(C(C)(C)C)cc2)CC1 ZINC000027527515 569263241 /nfs/dbraw/zinc/26/32/41/569263241.db2.gz GDFNDVOEBHCNOX-UHFFFAOYSA-N 0 0 445.607 6.038 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)cc1 ZINC000027527543 569263339 /nfs/dbraw/zinc/26/33/39/569263339.db2.gz QGCPZQTUIRERQO-UHFFFAOYSA-N 0 0 431.923 5.398 50 0 IKAARN CC(C)(C)C1CCC(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)CC1 ZINC000027527563 569263341 /nfs/dbraw/zinc/26/33/41/569263341.db2.gz YPJDFBPZWJKGAN-UHFFFAOYSA-N 0 0 437.971 5.640 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000027527551 569263348 /nfs/dbraw/zinc/26/33/48/569263348.db2.gz FLSNGGIFXAMQAQ-UHFFFAOYSA-N 0 0 445.950 5.327 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCC4)c(Cl)c3N2)cc1 ZINC000027527855 569263437 /nfs/dbraw/zinc/26/34/37/569263437.db2.gz MLMZIBXVGVSKPU-CABCVRRESA-N 0 0 426.870 5.178 50 0 IKAARN COc1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000027528361 569263574 /nfs/dbraw/zinc/26/35/74/569263574.db2.gz BJXFUKLRUGNIJH-KSSPAFGBSA-N 0 0 432.907 5.314 50 0 IKAARN O=C(COc1ccccc1)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 ZINC000002283377 569263700 /nfs/dbraw/zinc/26/37/00/569263700.db2.gz CJGFLNGHUJEYDO-UHFFFAOYSA-N 0 0 426.950 6.118 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc(Cl)c1OC(C)=O ZINC000002284803 569263859 /nfs/dbraw/zinc/26/38/59/569263859.db2.gz BXAQGEYDDQQEJB-NDENLUEZSA-N 0 0 435.863 5.162 50 0 IKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3 ZINC000002289356 569264475 /nfs/dbraw/zinc/26/44/75/569264475.db2.gz MBBMWBRGLGYMPS-UHFFFAOYSA-N 0 0 430.643 5.628 50 0 IKAARN C[C@H](C(=O)N[C@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253409418 569265613 /nfs/dbraw/zinc/26/56/13/569265613.db2.gz LUPGNSFFXSWHLV-UXSWERMXSA-N 0 0 432.539 5.516 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccc(Cl)cc2Cl)cc1 ZINC000027531447 569266176 /nfs/dbraw/zinc/26/61/76/569266176.db2.gz FCHVLKZWDALMDQ-UHFFFAOYSA-N 0 0 426.303 5.123 50 0 IKAARN C[C@@H]1CC[S@](=O)CCN1c1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000253425556 569267209 /nfs/dbraw/zinc/26/72/09/569267209.db2.gz FFMFPVPMSIOAOQ-HOLBHBGLSA-N 0 0 439.631 5.434 50 0 IKAARN C[C@H]1CC[S@](=O)CCN1c1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000253425567 569267241 /nfs/dbraw/zinc/26/72/41/569267241.db2.gz FFMFPVPMSIOAOQ-WNNBVUDTSA-N 0 0 439.631 5.434 50 0 IKAARN C[C@H]1CC[S@@](=O)CCN1c1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000253425562 569267263 /nfs/dbraw/zinc/26/72/63/569267263.db2.gz FFMFPVPMSIOAOQ-PEGYKEAPSA-N 0 0 439.631 5.434 50 0 IKAARN Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)onc1C1CCCCC1 ZINC000253429468 569267653 /nfs/dbraw/zinc/26/76/53/569267653.db2.gz DDPROIYOSGZUJS-UHFFFAOYSA-N 0 0 436.409 5.627 50 0 IKAARN CC(C)c1ccc(N(C)C(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1 ZINC000027534502 569267788 /nfs/dbraw/zinc/26/77/88/569267788.db2.gz FAFMOQZCGPSXHM-UHFFFAOYSA-N 0 0 430.935 6.044 50 0 IKAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000027534339 569267804 /nfs/dbraw/zinc/26/78/04/569267804.db2.gz CLJSQYQAROVPDK-UHFFFAOYSA-N 0 0 435.961 5.950 50 0 IKAARN Cc1cccc(NC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc32)c1 ZINC000002290476 569267908 /nfs/dbraw/zinc/26/79/08/569267908.db2.gz JAHQYFQSXMYERF-UHFFFAOYSA-N 0 0 427.895 5.370 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 ZINC000002292060 569268026 /nfs/dbraw/zinc/26/80/26/569268026.db2.gz KKBILTCNWDQHBG-OAHLLOKOSA-N 0 0 428.623 5.863 50 0 IKAARN Cc1c2occ(-c3ccc4ccccc4c3)c2cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002293881 569268138 /nfs/dbraw/zinc/26/81/38/569268138.db2.gz SEGJNPXRINLNSZ-UHFFFAOYSA-N 0 0 430.503 7.567 50 0 IKAARN COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)[C@@H](C)CCC4)cc1 ZINC000002294035 569268142 /nfs/dbraw/zinc/26/81/42/569268142.db2.gz UHLYIAFCCLDNLS-INIZCTEOSA-N 0 0 448.613 6.188 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002292411 569268257 /nfs/dbraw/zinc/26/82/57/569268257.db2.gz QFGDLFCTQAVQKK-UHFFFAOYSA-N 0 0 435.618 6.507 50 0 IKAARN CCOc1cccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000002292819 569268266 /nfs/dbraw/zinc/26/82/66/569268266.db2.gz YPQGZTCOFUPOBE-UHFFFAOYSA-N 0 0 448.950 5.975 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002297916 569268373 /nfs/dbraw/zinc/26/83/73/569268373.db2.gz BFAKPWDCFGDPEH-UHFFFAOYSA-N 0 0 425.536 5.085 50 0 IKAARN CCCCCSc1nnc2n1c1c(c(=O)n2CC)C2(CCCCC2)Cc2ccccc2-1 ZINC000002298443 569268380 /nfs/dbraw/zinc/26/83/80/569268380.db2.gz LUFFIMAMIHSABL-UHFFFAOYSA-N 0 0 436.625 5.618 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000238899661 569268497 /nfs/dbraw/zinc/26/84/97/569268497.db2.gz GZZIUGSNUOYYKT-UHFFFAOYSA-N 0 0 438.281 5.227 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000238901752 569268610 /nfs/dbraw/zinc/26/86/10/569268610.db2.gz MLHPJDNJFWFVHE-SHTZXODSSA-N 0 0 430.335 5.148 50 0 IKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@H]2C1 ZINC000239235391 569268635 /nfs/dbraw/zinc/26/86/35/569268635.db2.gz VWOOMHRDUWLVNY-KCXAZCMYSA-N 0 0 431.319 5.171 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)cc2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000239338698 569268725 /nfs/dbraw/zinc/26/87/25/569268725.db2.gz KZJDDLZDKVGKTB-PVWDLEKUSA-N 0 0 442.603 6.027 50 0 IKAARN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1C ZINC000239296804 569268736 /nfs/dbraw/zinc/26/87/36/569268736.db2.gz DJOYRLBCLJOQFF-ZONZVBGPSA-N 0 0 448.522 5.508 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccccc2)cc1 ZINC000239274964 569268742 /nfs/dbraw/zinc/26/87/42/569268742.db2.gz AZTUEGNRIIFWSD-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@]32CCOC(C)(C)C2)s1 ZINC000239296730 569268754 /nfs/dbraw/zinc/26/87/54/569268754.db2.gz DDWSVIYYHIDQKF-UTKZUKDTSA-N 0 0 447.398 5.648 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccncc2)cc1 ZINC000239284730 569268789 /nfs/dbraw/zinc/26/87/89/569268789.db2.gz BYTIUKYIBNXDOK-UNMCSNQZSA-N 0 0 426.303 5.639 50 0 IKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@H]2C1 ZINC000239403037 569268855 /nfs/dbraw/zinc/26/88/55/569268855.db2.gz RLDHEJRFLYLOHX-DQYPLSBCSA-N 0 0 432.303 5.138 50 0 IKAARN Cc1cc(N[C@H](NC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)C(Cl)(Cl)Cl)no1 ZINC000239433968 569268994 /nfs/dbraw/zinc/26/89/94/569268994.db2.gz YUUIRIHCCSBENU-MUYACECFSA-N 0 0 426.772 5.278 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(CN(Cc3cccs3)C[C@H]3CCCO3)nc(=O)c12 ZINC000240412887 569268998 /nfs/dbraw/zinc/26/89/98/569268998.db2.gz FONVBWNPBIDONO-DOTOQJQBSA-N 0 0 445.654 5.537 50 0 IKAARN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000241401082 569269021 /nfs/dbraw/zinc/26/90/21/569269021.db2.gz NBAFJOBNCOROPQ-NMVRNDPTSA-N 0 0 433.807 5.237 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000239434033 569269069 /nfs/dbraw/zinc/26/90/69/569269069.db2.gz YXHIZMKPEVXIID-VWNXMTODSA-N 0 0 449.348 6.090 50 0 IKAARN C[C@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000239434047 569269075 /nfs/dbraw/zinc/26/90/75/569269075.db2.gz YXOHRYLHCVUPMD-UDKICSLYSA-N 0 0 442.648 6.359 50 0 IKAARN COc1ccc(OC)c(C2=NN(C(=O)c3ccco3)[C@H](c3c(F)cccc3Cl)C2)c1 ZINC000241587791 569269130 /nfs/dbraw/zinc/26/91/30/569269130.db2.gz OXFRHENOXCISEU-SFHVURJKSA-N 0 0 428.847 5.081 50 0 IKAARN Cc1ccc([C@H](NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c2cccs2)cc1 ZINC000242317077 569269159 /nfs/dbraw/zinc/26/91/59/569269159.db2.gz YXCSJRYPCIVNJA-YKSBVNFPSA-N 0 0 440.634 5.005 50 0 IKAARN C[C@@H]1C[C@@H](C)C[C@H](C)N1C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000243919624 569269330 /nfs/dbraw/zinc/26/93/30/569269330.db2.gz BPVZMEUAWQSYSP-QKDCVEJESA-N 0 0 442.485 5.163 50 0 IKAARN O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000244842312 569269435 /nfs/dbraw/zinc/26/94/35/569269435.db2.gz UOIYYTHRBJOCPP-UPVQGACJSA-N 0 0 447.604 5.223 50 0 IKAARN CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3)c(F)c2)CC1 ZINC000245189320 569269468 /nfs/dbraw/zinc/26/94/68/569269468.db2.gz SYCNHFWYTQQMNG-AFMUELSESA-N 0 0 448.710 10.421 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000245238313 569269548 /nfs/dbraw/zinc/26/95/48/569269548.db2.gz JRJBBXRIKUPJJC-JDXGNMNLSA-N 0 0 446.550 6.816 50 0 IKAARN C[C@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245238285 569269554 /nfs/dbraw/zinc/26/95/54/569269554.db2.gz IRKARXPTWCTTMK-DAMQTCOWSA-N 0 0 425.572 6.006 50 0 IKAARN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000245253576 569269699 /nfs/dbraw/zinc/26/96/99/569269699.db2.gz IBNFQZMCZXLXIE-ZRSHHOLQSA-N 0 0 448.651 6.290 50 0 IKAARN CCc1ccccc1[C@H](CC(=O)OC)N[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245253962 569269732 /nfs/dbraw/zinc/26/97/32/569269732.db2.gz VIRAINOWLHFODO-CBFMCDLCSA-N 0 0 448.607 5.422 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000245241882 569269736 /nfs/dbraw/zinc/26/97/36/569269736.db2.gz SLGJSGHSAKMINS-YTMVLYRLSA-N 0 0 440.587 7.231 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000245328159 569269805 /nfs/dbraw/zinc/26/98/05/569269805.db2.gz SMNNPRYAEDCRGM-HMGIVTTKSA-N 0 0 447.531 5.964 50 0 IKAARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC000245325923 569269852 /nfs/dbraw/zinc/26/98/52/569269852.db2.gz HTLLYNIQBSCNJA-PZGXJGMVSA-N 0 0 438.571 7.129 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000245311698 569269854 /nfs/dbraw/zinc/26/98/54/569269854.db2.gz QMPCFFAWGGZZJL-UBFVSLLYSA-N 0 0 440.543 5.344 50 0 IKAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O ZINC000245311021 569269860 /nfs/dbraw/zinc/26/98/60/569269860.db2.gz LNTRJTHXPKASLK-DSNGMDLFSA-N 0 0 440.543 5.344 50 0 IKAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@H](C)C2)ncn1 ZINC000245280848 569269865 /nfs/dbraw/zinc/26/98/65/569269865.db2.gz UQAVYPQPDXIGOU-PKOBYXMFSA-N 0 0 442.579 5.216 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000245377590 569269909 /nfs/dbraw/zinc/26/99/09/569269909.db2.gz NAYSTQYIMRWPFE-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000245380173 569269939 /nfs/dbraw/zinc/26/99/39/569269939.db2.gz SLBKHXVFFDZUIS-PWAGRJGVSA-N 0 0 434.536 5.015 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000247515639 569270018 /nfs/dbraw/zinc/27/00/18/569270018.db2.gz JTIQCFQQNRVMPY-XLIONFOSSA-N 0 0 429.314 5.892 50 0 IKAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@H]12 ZINC000248012421 569270213 /nfs/dbraw/zinc/27/02/13/569270213.db2.gz JKFFPBPVDGNIPG-RBBKRZOGSA-N 0 0 447.888 5.683 50 0 IKAARN C[C@]1(O)c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000247999573 569270237 /nfs/dbraw/zinc/27/02/37/569270237.db2.gz FDVCVRVOUODMNO-FGSUXHBTSA-N 0 0 448.562 5.181 50 0 IKAARN c1ccc(C[C@]23N=N[C@](Cc4ccccc4)([C@H]4c5ccccc5[C@@H]42)[C@@H]2c4ccccc4[C@@H]23)cc1 ZINC000248076372 569270410 /nfs/dbraw/zinc/27/04/10/569270410.db2.gz IQRJNKFXXMODER-NXPABNOZSA-N 0 0 438.574 7.191 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(Cl)cc2)cc1OC ZINC000248146129 569270455 /nfs/dbraw/zinc/27/04/55/569270455.db2.gz WMPBXJROCGQPSD-NLFFAJNJSA-N 0 0 448.906 5.110 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000248183455 569270645 /nfs/dbraw/zinc/27/06/45/569270645.db2.gz FYVSKJMOXGOXNM-GGAORHGYSA-N 0 0 443.305 6.383 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000248182548 569270667 /nfs/dbraw/zinc/27/06/67/569270667.db2.gz FJBMAEXNZBYBBQ-QPPBQGQZSA-N 0 0 436.870 5.240 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)c1 ZINC000248187571 569270700 /nfs/dbraw/zinc/27/07/00/569270700.db2.gz IYMXEFRARXEVOL-GGAORHGYSA-N 0 0 426.850 5.869 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)c1 ZINC000248251233 569270778 /nfs/dbraw/zinc/27/07/78/569270778.db2.gz PPLVAAGGVYEHRE-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3C2CCCCC2)cc1 ZINC000248257839 569270858 /nfs/dbraw/zinc/27/08/58/569270858.db2.gz UHFYHZVFSDUZRR-GGAORHGYSA-N 0 0 431.363 6.452 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2OCC)cc1 ZINC000248380891 569270944 /nfs/dbraw/zinc/27/09/44/569270944.db2.gz RMTZPAIRHOQBCJ-OZXSUGGESA-N 0 0 448.950 6.380 50 0 IKAARN CCc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000252020928 569271201 /nfs/dbraw/zinc/27/12/01/569271201.db2.gz YLCOTQZXGPXGPW-KNQAVFIVSA-N 0 0 439.378 6.315 50 0 IKAARN CCc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002300762 569271461 /nfs/dbraw/zinc/27/14/61/569271461.db2.gz JVCHKNMGWIJWKB-KRWDZBQOSA-N 0 0 435.531 5.209 50 0 IKAARN O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002305481 569271684 /nfs/dbraw/zinc/27/16/84/569271684.db2.gz TVPBGVRLADZYID-GOEBONIOSA-N 0 0 440.878 5.188 50 0 IKAARN O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002305484 569271724 /nfs/dbraw/zinc/27/17/24/569271724.db2.gz TVPBGVRLADZYID-ZBFHGGJFSA-N 0 0 440.878 5.188 50 0 IKAARN Cc1nc2sc3c(ncnc3N[C@H](C)CCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002307007 569271794 /nfs/dbraw/zinc/27/17/94/569271794.db2.gz XZALMDHPLCSHNU-OAHLLOKOSA-N 0 0 432.593 5.832 50 0 IKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC(F)(F)F)cc1)NC2 ZINC000054979031 569272220 /nfs/dbraw/zinc/27/22/20/569272220.db2.gz YSARIKOVGNZOPH-QFIPXVFZSA-N 0 0 432.442 5.366 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nc2c1 ZINC000002314031 569272270 /nfs/dbraw/zinc/27/22/70/569272270.db2.gz YQNCANDYTKVWTR-UHFFFAOYSA-N 0 0 446.959 7.739 50 0 IKAARN COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1COc1ccc(Cl)cc1Cl ZINC000002317833 569272574 /nfs/dbraw/zinc/27/25/74/569272574.db2.gz DDDMMNXQRDEVRV-QHCPKHFHSA-N 0 0 429.299 6.288 50 0 IKAARN 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)[C@H]2O ZINC000253498543 569272818 /nfs/dbraw/zinc/27/28/18/569272818.db2.gz IVXHYDUXTYURSY-SEHSWCOWSA-N 0 0 446.553 6.383 50 0 IKAARN 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)[C@H]2O ZINC000253498544 569272870 /nfs/dbraw/zinc/27/28/70/569272870.db2.gz IVXHYDUXTYURSY-XXRNYFGOSA-N 0 0 446.553 6.383 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000253498484 569272871 /nfs/dbraw/zinc/27/28/71/569272871.db2.gz XUGISPSHIFXEHZ-JPICPFBJSA-N 0 0 428.701 7.960 50 0 biogenic,in-vitro IKAARN C[C@@H]1[C@H]([C@H]2CC[C@@H](C)CO2)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]21 ZINC000253497655 569272878 /nfs/dbraw/zinc/27/28/78/569272878.db2.gz AAUNTCAWMSYFFB-SVCNMJJISA-N 0 0 428.657 5.755 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)c1C ZINC000253508308 569272984 /nfs/dbraw/zinc/27/29/84/569272984.db2.gz DGHNSOORNPGMCA-OCWVGURVSA-N 0 0 426.645 5.278 50 0 IKAARN O=[N+]([O-])C(C(=Nc1ccc(Cl)cc1)Sc1ccccc1)=C(Cl)C(Cl)Cl ZINC000027571563 569273640 /nfs/dbraw/zinc/27/36/40/569273640.db2.gz FXOHMVUVUNTMQG-PEZBUJJGSA-N 0 0 436.147 6.876 50 0 IKAARN C[C@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OC[N@@H+]2C1 ZINC000253594901 569273226 /nfs/dbraw/zinc/27/32/26/569273226.db2.gz GRMUAQMHJKQVFL-LGLICAKISA-N 0 0 427.673 5.629 50 0 biogenic IKAARN O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)c1ccc(Cl)cc1Cl ZINC000027570701 569273322 /nfs/dbraw/zinc/27/33/22/569273322.db2.gz PRNQQWZIHLUXTK-UHFFFAOYSA-N 0 0 429.372 6.304 50 0 IKAARN CCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253609128 569273324 /nfs/dbraw/zinc/27/33/24/569273324.db2.gz BBQNHGBERIULCP-DNQVGQLGSA-N 0 0 428.745 8.823 50 0 IKAARN 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]3[C@H](O)C[C@H]2C1 ZINC000253609260 569273352 /nfs/dbraw/zinc/27/33/52/569273352.db2.gz KDJPNDQOTCHXMI-UOKFHICSSA-N 0 0 446.716 7.010 50 0 IKAARN CCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253609130 569273382 /nfs/dbraw/zinc/27/33/82/569273382.db2.gz BBQNHGBERIULCP-MCLKTUQTSA-N 0 0 428.745 8.823 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC([Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253609424 569273389 /nfs/dbraw/zinc/27/33/89/569273389.db2.gz QBQCPPXCRUULID-HWRDIBPWSA-N 0 0 442.848 9.521 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)OC5CCCCC5)[C@]4(C)CC[C@H]32)C1 ZINC000253612442 569273411 /nfs/dbraw/zinc/27/34/11/569273411.db2.gz PSZQIJKWYLUAAC-XDAACYJISA-N 0 0 442.640 6.373 50 0 IKAARN 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]3CC(=O)[C@@]21C 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/nfs/dbraw/zinc/27/38/10/569273810.db2.gz YUFHRWHHAMPWQY-GDNLIODWSA-N 0 0 436.124 8.809 50 0 IKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@](Cl)(N=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254401062 569273814 /nfs/dbraw/zinc/27/38/14/569273814.db2.gz YUFHRWHHAMPWQY-JHXSBALCSA-N 0 0 436.124 8.809 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3C2=CC[C@@]2(C)[C@@H]([C@H](C)/C=C\[C@H](C)C(C)C)CC[C@H]32)C1 ZINC000254692664 569273903 /nfs/dbraw/zinc/27/39/03/569273903.db2.gz USXNJOVHHSKEBV-GKUDHAKBSA-N 0 0 436.680 7.822 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000254490327 569273956 /nfs/dbraw/zinc/27/39/56/569273956.db2.gz ILTVNBQABQMWBD-ZCYQVOJMSA-N 0 0 428.488 5.114 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccccc1Br)[C@H](c1ccccc1)C1CCCC1 ZINC000002322145 569274212 /nfs/dbraw/zinc/27/42/12/569274212.db2.gz CZBDQWZOHJGURP-RPBOFIJWSA-N 0 0 448.404 6.629 50 0 IKAARN CC[C@@H](C)c1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002322136 569274246 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Clc1ccc(-c2nnnn2-c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000008888113 569291995 /nfs/dbraw/zinc/29/19/95/569291995.db2.gz GXIYMJBSJKKFDY-UHFFFAOYSA-N 0 0 431.710 5.869 50 0 IKAARN COc1ccc(C2=NN(c3ccc(C(F)(F)F)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008925835 569292431 /nfs/dbraw/zinc/29/24/31/569292431.db2.gz GLMVYHKUVPXMMI-JOCHJYFZSA-N 0 0 430.857 6.723 50 0 IKAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C(C)C)cc1 ZINC000002382239 569293564 /nfs/dbraw/zinc/29/35/64/569293564.db2.gz NPUUTMCKYKDDCB-NEEKEDPPSA-N 0 0 436.536 6.627 50 0 IKAARN COc1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2COC(C)(C)C3)c1 ZINC000002383688 569293959 /nfs/dbraw/zinc/29/39/59/569293959.db2.gz VBQWGGBVHWNTQU-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000002384513 569294216 /nfs/dbraw/zinc/29/42/16/569294216.db2.gz SBVROASOQQIFJD-AYWVHJORSA-N 0 0 442.927 6.545 50 0 IKAARN COc1cc(/C=C/C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)ccc1OC(F)F ZINC000009244828 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0 438.508 5.901 50 0 IKAARN COc1ccc([C@H](Nc2ccccc2)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000002391246 569297886 /nfs/dbraw/zinc/29/78/86/569297886.db2.gz XJCNDWJGARFDTN-NJHZRGNWSA-N 0 0 438.508 5.901 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 ZINC000027776723 569298052 /nfs/dbraw/zinc/29/80/52/569298052.db2.gz NCIOFGCFNNUNPA-CYBMUJFWSA-N 0 0 426.929 5.228 50 0 IKAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccc(Cl)cc3)cc2oc1=O ZINC000002393959 569298110 /nfs/dbraw/zinc/29/81/10/569298110.db2.gz KWMICAXRMTYYNS-UHFFFAOYSA-N 0 0 435.303 5.483 50 0 IKAARN Nn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000002394277 569298249 /nfs/dbraw/zinc/29/82/49/569298249.db2.gz FWYKVICTBRLRQE-UHFFFAOYSA-N 0 0 430.158 5.021 50 0 IKAARN CC(C)CCNC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 ZINC000002395144 569298337 /nfs/dbraw/zinc/29/83/37/569298337.db2.gz KVEYOBOZWODPOD-UHFFFAOYSA-N 0 0 442.350 5.239 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cc(C)cc(C)c2)cc1 ZINC000002396509 569298461 /nfs/dbraw/zinc/29/84/61/569298461.db2.gz XOCVTCMONRIIQL-UHFFFAOYSA-N 0 0 428.532 5.548 50 0 IKAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002397888 569298509 /nfs/dbraw/zinc/29/85/09/569298509.db2.gz ILPLXANOEBRXRT-UHFFFAOYSA-N 0 0 428.879 5.166 50 0 IKAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000002397100 569298524 /nfs/dbraw/zinc/29/85/24/569298524.db2.gz IMYGHLTWMWCXQE-JOCHJYFZSA-N 0 0 443.613 6.065 50 0 IKAARN CC1CCN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)CC1 ZINC000002398387 569298647 /nfs/dbraw/zinc/29/86/47/569298647.db2.gz LXXXKNYGCYSWDV-UHFFFAOYSA-N 0 0 432.998 5.551 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2OCc2csc(C)n2)cc1 ZINC000009961907 569298718 /nfs/dbraw/zinc/29/87/18/569298718.db2.gz SDKGBCGNMNKHMK-UDFXALJUSA-N 0 0 434.561 5.416 50 0 IKAARN COc1ccccc1[C@H](Nc1ccccc1)[P@](=O)(OC(C)C)c1ccc(N(C)C)cc1 ZINC000002399373 569298924 /nfs/dbraw/zinc/29/89/24/569298924.db2.gz PSXLHQDLGZZANL-OOWIMERYSA-N 0 0 438.508 5.901 50 0 IKAARN CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(OC)cc1 ZINC000002399471 569298933 /nfs/dbraw/zinc/29/89/33/569298933.db2.gz PNCAPBMRQSAXGP-FKAPRUDGSA-N 0 0 438.508 5.902 50 0 IKAARN CCCCc1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002399348 569298945 /nfs/dbraw/zinc/29/89/45/569298945.db2.gz CALXKNREIZSSIK-QGZVFWFLSA-N 0 0 430.552 5.701 50 0 IKAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000002399520 569298954 /nfs/dbraw/zinc/29/89/54/569298954.db2.gz PKROHIDRSCZJDZ-LYZGTLIUSA-N 0 0 442.323 6.003 50 0 IKAARN COc1ccccc1[C@@H](Nc1ccccc1)[P@](=O)(OC(C)C)c1ccc(N(C)C)cc1 ZINC000002399371 569298965 /nfs/dbraw/zinc/29/89/65/569298965.db2.gz PSXLHQDLGZZANL-VVFBEHOQSA-N 0 0 438.508 5.901 50 0 IKAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000002399518 569298966 /nfs/dbraw/zinc/29/89/66/569298966.db2.gz PKROHIDRSCZJDZ-RBTNQOKQSA-N 0 0 442.323 6.003 50 0 IKAARN O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000010022055 569299190 /nfs/dbraw/zinc/29/91/90/569299190.db2.gz XPESKNLCTNUKFN-ZHACJKMWSA-N 0 0 434.801 5.102 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)NC(Cc1ccco1)Cc1ccco1 ZINC000027794681 569299490 /nfs/dbraw/zinc/29/94/90/569299490.db2.gz KFBHRYDLOPPORK-UHFFFAOYSA-N 0 0 428.282 5.274 50 0 IKAARN Cc1sc(-n2c(C)c3c(c2C)c(C)nnc3C)nc1-c1ccc(Br)cc1 ZINC000002402205 569299606 /nfs/dbraw/zinc/29/96/06/569299606.db2.gz ZOFIKEOFUGZROG-UHFFFAOYSA-N 0 0 427.371 5.849 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002402236 569299674 /nfs/dbraw/zinc/29/96/74/569299674.db2.gz DOOYXGVHZMDQRL-UHFFFAOYSA-N 0 0 438.252 5.614 50 0 IKAARN Cc1ccc(Cl)cc1-n1ncc2c3nnc(-c4ccc(Cl)cc4Cl)n3cnc21 ZINC000002404271 569299919 /nfs/dbraw/zinc/29/99/19/569299919.db2.gz CGPLCVPOCMULMD-UHFFFAOYSA-N 0 0 429.698 5.399 50 0 IKAARN CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc(Cl)cc3)ccc2c1=O ZINC000002404448 569299992 /nfs/dbraw/zinc/29/99/92/569299992.db2.gz VNHUZHRZXZMXOG-UHFFFAOYSA-N 0 0 436.891 6.525 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002405139 569300027 /nfs/dbraw/zinc/30/00/27/569300027.db2.gz CCUKGXFLULDRAV-FQEVSTJZSA-N 0 0 437.904 5.507 50 0 IKAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002405330 569300154 /nfs/dbraw/zinc/30/01/54/569300154.db2.gz GIRZALKVNWTPPW-UHFFFAOYSA-N 0 0 425.941 5.327 50 0 IKAARN CSc1nc2c3c4c(c(C(C)C)nc3sc2c(NCCc2ccccc2)n1)CCC4 ZINC000002406783 569300262 /nfs/dbraw/zinc/30/02/62/569300262.db2.gz XFIHYSWVWDLZKW-UHFFFAOYSA-N 0 0 434.634 6.228 50 0 IKAARN Cc1cc(C)cc(-n2c(N)c(C(=O)NCCCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002408261 569300360 /nfs/dbraw/zinc/30/03/60/569300360.db2.gz HEHHBSJNSIVHFR-UHFFFAOYSA-N 0 0 449.558 5.135 50 0 IKAARN O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000027814125 569300823 /nfs/dbraw/zinc/30/08/23/569300823.db2.gz PTZLQROSLOLEDW-NRFANRHFSA-N 0 0 443.597 5.844 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OCc4ccccc4F)cc3oc2C(F)(F)F)cc1 ZINC000002410284 569300848 /nfs/dbraw/zinc/30/08/48/569300848.db2.gz RGUGXRNZWQTZRD-UHFFFAOYSA-N 0 0 444.380 6.206 50 0 IKAARN COc1ccc(CSc2nc(SC(C)C)nc3sc4c(c32)CC(C)(C)OC4)cc1 ZINC000002411199 569300943 /nfs/dbraw/zinc/30/09/43/569300943.db2.gz XQMBZPSMKNPTDJ-UHFFFAOYSA-N 0 0 446.663 6.344 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCc4ccccc4)c23)CO1 ZINC000002412742 569301051 /nfs/dbraw/zinc/30/10/51/569301051.db2.gz KYFQOQFOTJUHSV-QHCPKHFHSA-N 0 0 427.639 6.088 50 0 IKAARN CCCCCCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002413871 569301263 /nfs/dbraw/zinc/30/12/63/569301263.db2.gz XPLUSYFEUCCDPM-LJQANCHMSA-N 0 0 443.595 5.498 50 0 IKAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O)c1ccccc1 ZINC000002413777 569301305 /nfs/dbraw/zinc/30/13/05/569301305.db2.gz YKPYEZOQJABUCN-VXKWHMMOSA-N 0 0 427.548 5.645 50 0 IKAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 ZINC000002416458 569301468 /nfs/dbraw/zinc/30/14/68/569301468.db2.gz MWXVXMDBCLBJJQ-UHFFFAOYSA-N 0 0 434.419 5.398 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000002416029 569301527 /nfs/dbraw/zinc/30/15/27/569301527.db2.gz GNNAYEZQEYDCCG-PKTZIBPZSA-N 0 0 444.585 5.583 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OCc4ccc(F)cc4)cc3oc2C(F)(F)F)cc1 ZINC000002416504 569301533 /nfs/dbraw/zinc/30/15/33/569301533.db2.gz SZYCGCZORDIFKK-UHFFFAOYSA-N 0 0 444.380 6.206 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@H]1CCCO1)C3=O ZINC000002417709 569301568 /nfs/dbraw/zinc/30/15/68/569301568.db2.gz NZFBFCZKLSYSOO-XXBNENTESA-N 0 0 431.532 5.123 50 0 IKAARN CCCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 ZINC000002418261 569301573 /nfs/dbraw/zinc/30/15/73/569301573.db2.gz OJXBRVNKQGZLGZ-UHFFFAOYSA-N 0 0 448.446 5.870 50 0 IKAARN c1ccc(Nc2ccc(/N=c3\cc(-c4ccc5c(c4)OCO5)oc4ccccc43)cc2)cc1 ZINC000002417583 569301608 /nfs/dbraw/zinc/30/16/08/569301608.db2.gz FIWROMBDCOMQEG-BGABXYSRSA-N 0 0 432.479 6.805 50 0 IKAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12 ZINC000002418668 569301761 /nfs/dbraw/zinc/30/17/61/569301761.db2.gz IZRYGPIVRPHQQR-UHFFFAOYSA-N 0 0 429.589 5.799 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 ZINC000002418965 569301791 /nfs/dbraw/zinc/30/17/91/569301791.db2.gz GEAPGPKMAILGQR-QFIPXVFZSA-N 0 0 446.890 5.380 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 ZINC000002419828 569301885 /nfs/dbraw/zinc/30/18/85/569301885.db2.gz IQRHTWMFDWYSGT-UHFFFAOYSA-N 0 0 441.310 6.663 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2)c1ccco1 ZINC000002420435 569302027 /nfs/dbraw/zinc/30/20/27/569302027.db2.gz IZCPYBGYFBVIRV-ZWKOTPCHSA-N 0 0 437.862 5.062 50 0 IKAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000002422081 569302116 /nfs/dbraw/zinc/30/21/16/569302116.db2.gz FKFNDYDISZVPEF-QGZVFWFLSA-N 0 0 436.375 5.021 50 0 IKAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000002422080 569302133 /nfs/dbraw/zinc/30/21/33/569302133.db2.gz FKFNDYDISZVPEF-KRWDZBQOSA-N 0 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569302515 /nfs/dbraw/zinc/30/25/15/569302515.db2.gz QCIDEUUCEAYCLK-UHFFFAOYSA-N 0 0 430.809 6.711 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3NC[C@@H]3CCCO3)c2c2c1CCC2 ZINC000002426658 569302613 /nfs/dbraw/zinc/30/26/13/569302613.db2.gz HUQHZUQFNQNUAV-ZDUSSCGKSA-N 0 0 428.627 5.384 50 0 IKAARN COC(=O)c1ccc(Oc2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1 ZINC000002429155 569302819 /nfs/dbraw/zinc/30/28/19/569302819.db2.gz JUKJWMCGEBTLAW-UHFFFAOYSA-N 0 0 430.456 5.568 50 0 IKAARN Cc1ccc(OCCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c(C)c1 ZINC000011667333 569302892 /nfs/dbraw/zinc/30/28/92/569302892.db2.gz VHYYHWBLYUGKQW-HXUWFJFHSA-N 0 0 431.536 5.596 50 0 IKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccc(OC)cc1 ZINC000002430024 569302991 /nfs/dbraw/zinc/30/29/91/569302991.db2.gz KMMBALMNIUHNKJ-UHFFFAOYSA-N 0 0 432.907 5.603 50 0 IKAARN O=C(/C=C\c1ccccc1)Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1 ZINC000011859667 569303096 /nfs/dbraw/zinc/30/30/96/569303096.db2.gz MYLPKBQTAFWCRH-KAMYIIQDSA-N 0 0 427.422 5.815 50 0 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COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1OC(F)F ZINC000013003672 569306256 /nfs/dbraw/zinc/30/62/56/569306256.db2.gz LJZKSUFBYLXEQE-UHFFFAOYSA-N 0 0 441.356 5.062 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000002454053 569306333 /nfs/dbraw/zinc/30/63/33/569306333.db2.gz XUMIDKJPOIZLDS-IBGZPJMESA-N 0 0 428.355 5.026 50 0 IKAARN COc1ccc(C2=NN(C(=O)C(C)(C)C)[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000013014105 569307001 /nfs/dbraw/zinc/30/70/01/569307001.db2.gz IPZMWIRCPLXIMQ-NRFANRHFSA-N 0 0 435.955 5.929 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)Nc1ccc(Cl)cc1)cc2-c1ccccc1 ZINC000013018113 569307250 /nfs/dbraw/zinc/30/72/50/569307250.db2.gz AJJXMDLXLCWRFJ-UHFFFAOYSA-N 0 0 434.948 6.295 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 ZINC000013018100 569307257 /nfs/dbraw/zinc/30/72/57/569307257.db2.gz FCWIYFZKWUXAEG-UHFFFAOYSA-N 0 0 444.556 6.040 50 0 IKAARN O=S(=O)(c1nc(NCc2ccc(Cl)cc2)sc1Cl)c1ccc(Cl)cc1 ZINC000013026615 569307258 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IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 ZINC000013113072 569310478 /nfs/dbraw/zinc/31/04/78/569310478.db2.gz JRYOGFZPJRKEDU-KGLIPLIRSA-N 0 0 425.485 5.502 50 0 IKAARN O=C([C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000013113006 569310569 /nfs/dbraw/zinc/31/05/69/569310569.db2.gz MEXZKPAWKLFOBF-OAQYLSRUSA-N 0 0 446.601 5.452 50 0 IKAARN COc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000013114420 569310601 /nfs/dbraw/zinc/31/06/01/569310601.db2.gz WCQQJAZMGJQACD-UHFFFAOYSA-N 0 0 438.409 5.214 50 0 IKAARN CCc1ccc(-c2nc(SCc3csc(N(C(C)=O)c4cccc(C)c4)n3)n[nH]2)cc1 ZINC000013113119 569310609 /nfs/dbraw/zinc/31/06/09/569310609.db2.gz DFZFOQOHPVHBCP-UHFFFAOYSA-N 0 0 449.605 5.776 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 ZINC000013113157 569310687 /nfs/dbraw/zinc/31/06/87/569310687.db2.gz GDEFJZUCKRTOIB-KRWDZBQOSA-N 0 0 427.529 5.619 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000013114692 569310758 /nfs/dbraw/zinc/31/07/58/569310758.db2.gz VJNYCXHFMAVLHW-LJQANCHMSA-N 0 0 442.588 5.675 50 0 IKAARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013115195 569310778 /nfs/dbraw/zinc/31/07/78/569310778.db2.gz WDDAJAQMASXEHU-QMMMGPOBSA-N 0 0 432.880 5.325 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1C ZINC000013114626 569310804 /nfs/dbraw/zinc/31/08/04/569310804.db2.gz JIRZDGHRUCKHMO-MRXNPFEDSA-N 0 0 441.984 5.826 50 0 IKAARN COCCCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC000013114625 569310806 /nfs/dbraw/zinc/31/08/06/569310806.db2.gz UOSOBZAVOXENPJ-OAHLLOKOSA-N 0 0 445.972 5.007 50 0 IKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1cccc(C)c1C ZINC000013115728 569310875 /nfs/dbraw/zinc/31/08/75/569310875.db2.gz XPFJCLLLPSWWCM-UHFFFAOYSA-N 0 0 426.592 5.742 50 0 IKAARN COC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000013115636 569310890 /nfs/dbraw/zinc/31/08/90/569310890.db2.gz JMYIPRQNNLKCEK-CQSZACIVSA-N 0 0 429.973 5.539 50 0 IKAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000013115733 569310901 /nfs/dbraw/zinc/31/09/01/569310901.db2.gz QLFRMOIGGIJURC-UHFFFAOYSA-N 0 0 438.531 5.018 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000013117932 569310977 /nfs/dbraw/zinc/31/09/77/569310977.db2.gz VPFYLLBIDKHFQV-FQEVSTJZSA-N 0 0 444.556 5.554 50 0 IKAARN CC(C)COc1ccc(NC(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000013120185 569310987 /nfs/dbraw/zinc/31/09/87/569310987.db2.gz VNRLIDAGBAKAKZ-UHFFFAOYSA-N 0 0 441.531 6.323 50 0 IKAARN Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3SCc3ccccc3)c(C)n2n1 ZINC000013118077 569311026 /nfs/dbraw/zinc/31/10/26/569311026.db2.gz DIXLJELMMDHTMB-UHFFFAOYSA-N 0 0 430.577 5.518 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)C(C)C ZINC000013121425 569311141 /nfs/dbraw/zinc/31/11/41/569311141.db2.gz YGYQPQMIEIGNKS-UHFFFAOYSA-N 0 0 440.588 5.064 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)cc1 ZINC000013138572 569311586 /nfs/dbraw/zinc/31/15/86/569311586.db2.gz GMALGJGMFKVTKF-OAHLLOKOSA-N 0 0 429.973 5.134 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)cc1 ZINC000013138565 569311617 /nfs/dbraw/zinc/31/16/17/569311617.db2.gz GMALGJGMFKVTKF-HNNXBMFYSA-N 0 0 429.973 5.134 50 0 IKAARN CCCn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)C(=O)c1ccc(C)cc1 ZINC000013137877 569311649 /nfs/dbraw/zinc/31/16/49/569311649.db2.gz LRXGZPAIOAUZDJ-CQSZACIVSA-N 0 0 445.382 5.241 50 0 IKAARN CCCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000013137876 569311705 /nfs/dbraw/zinc/31/17/05/569311705.db2.gz LRXGZPAIOAUZDJ-AWEZNQCLSA-N 0 0 445.382 5.241 50 0 IKAARN CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 ZINC000013141099 569311809 /nfs/dbraw/zinc/31/18/09/569311809.db2.gz KIYHEQVZYTXQHN-SNVBAGLBSA-N 0 0 427.382 5.453 50 0 IKAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C ZINC000013141976 569311799 /nfs/dbraw/zinc/31/17/99/569311799.db2.gz WVRGDPNORMVGJA-UHFFFAOYSA-N 0 0 430.504 5.205 50 0 IKAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000013145381 569311812 /nfs/dbraw/zinc/31/18/12/569311812.db2.gz FTLOBPVGHXVBMQ-UHFFFAOYSA-N 0 0 443.455 5.010 50 0 IKAARN O=C(COC(=O)COc1ccccc1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013141748 569311822 /nfs/dbraw/zinc/31/18/22/569311822.db2.gz AKHSBKCRIGZUFM-UHFFFAOYSA-N 0 0 427.909 5.052 50 0 IKAARN O=C(COC(=O)c1cccc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013146396 569311873 /nfs/dbraw/zinc/31/18/73/569311873.db2.gz UKGDBFXNGGSEQQ-UHFFFAOYSA-N 0 0 447.943 6.440 50 0 IKAARN C[C@H](OC(=O)c1ccc(OC(F)F)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000013145497 569311949 /nfs/dbraw/zinc/31/19/49/569311949.db2.gz HLFRHMIDMJZEGI-LBPRGKRZSA-N 0 0 442.443 5.171 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1C[C@@H]1CCCO1 ZINC000013146226 569311952 /nfs/dbraw/zinc/31/19/52/569311952.db2.gz PDJRCCRBTCMSJU-QHCPKHFHSA-N 0 0 433.504 5.116 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC000013149126 569312162 /nfs/dbraw/zinc/31/21/62/569312162.db2.gz CFLFIUIFAHESBC-UHFFFAOYSA-N 0 0 429.516 5.146 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(OC(F)F)cc3)c2n1 ZINC000013148909 569312167 /nfs/dbraw/zinc/31/21/67/569312167.db2.gz ZVYNIKQESRCUSJ-UHFFFAOYSA-N 0 0 427.234 5.469 50 0 IKAARN Cn1c2ccccc2c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1-c1ccccc1 ZINC000013148950 569312182 /nfs/dbraw/zinc/31/21/82/569312182.db2.gz HXQVWOCINZRBTP-UHFFFAOYSA-N 0 0 439.845 5.817 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc1C ZINC000013150385 569312247 /nfs/dbraw/zinc/31/22/47/569312247.db2.gz PQAGMYVDOJJPDG-UHFFFAOYSA-N 0 0 436.577 5.588 50 0 IKAARN O=C(c1cc(Oc2ccc(OCc3ccccc3)cc2)nc2ccccc21)N1CCOCC1 ZINC000013150214 569312249 /nfs/dbraw/zinc/31/22/49/569312249.db2.gz QEALVFIANIWODF-UHFFFAOYSA-N 0 0 440.499 5.079 50 0 IKAARN O=C([C@H](Sc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1)N1CCOCC1 ZINC000013163421 569312402 /nfs/dbraw/zinc/31/24/02/569312402.db2.gz XDWDIDSNYGNRMF-OAQYLSRUSA-N 0 0 447.585 5.051 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)NCCc1ccccc1 ZINC000013283368 569312613 /nfs/dbraw/zinc/31/26/13/569312613.db2.gz LHJJGCLHTWJGNH-UHFFFAOYSA-N 0 0 446.595 5.172 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1ccc(Cl)cc1 ZINC000013283341 569312617 /nfs/dbraw/zinc/31/26/17/569312617.db2.gz WQERJDFSKBLKHU-UHFFFAOYSA-N 0 0 434.996 5.966 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)NCCc1ccccc1 ZINC000013283332 569312622 /nfs/dbraw/zinc/31/26/22/569312622.db2.gz LGDDSSVNVFMRIP-UHFFFAOYSA-N 0 0 428.605 5.033 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1cccnc1)C(=S)NCc1ccccc1 ZINC000013283374 569312710 /nfs/dbraw/zinc/31/27/10/569312710.db2.gz LSRCFDVKQGQYIM-UHFFFAOYSA-N 0 0 449.023 5.644 50 0 IKAARN O=C(CCC1CCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456515 569312722 /nfs/dbraw/zinc/31/27/22/569312722.db2.gz SGEQTTJXBSQNJU-HSZRJFAPSA-N 0 0 441.369 5.290 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccccc1 ZINC000013283376 569312728 /nfs/dbraw/zinc/31/27/28/569312728.db2.gz SZKXTJDBFPYNDH-UHFFFAOYSA-N 0 0 434.996 5.966 50 0 IKAARN Cc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(Br)cc3)C2)o1 ZINC000013302789 569312769 /nfs/dbraw/zinc/31/27/69/569312769.db2.gz STVVEVRYXWFZSD-IBGZPJMESA-N 0 0 449.270 6.725 50 0 IKAARN O=P1(Nc2ccc(OC(F)(F)F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000013304764 569312777 /nfs/dbraw/zinc/31/27/77/569312777.db2.gz KEYJVHQNRPJEGF-UHFFFAOYSA-N 0 0 443.361 7.303 50 0 IKAARN CCCn1nc2ccccc2c1P(=Nc1cccc(C(F)(F)F)c1)(N(C)C)N(C)C ZINC000013301615 569312794 /nfs/dbraw/zinc/31/27/94/569312794.db2.gz NPSDRUCUALCBFM-UHFFFAOYSA-N 0 0 437.450 5.577 50 0 IKAARN O=P1(Nc2ccccc2Br)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000013304264 569312854 /nfs/dbraw/zinc/31/28/54/569312854.db2.gz HUUTZRVEVKHNCM-UHFFFAOYSA-N 0 0 438.261 7.167 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3cccc(SC)c3)cc2)nc2ccccc21 ZINC000013348364 569312985 /nfs/dbraw/zinc/31/29/85/569312985.db2.gz BEJJKAFQOXMLRI-UHFFFAOYSA-N 0 0 430.577 6.207 50 0 IKAARN CC(=O)c1cccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000013350092 569313120 /nfs/dbraw/zinc/31/31/20/569313120.db2.gz HMEUXHDZYRFPKI-UHFFFAOYSA-N 0 0 444.516 5.876 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c(OC)c1 ZINC000013348481 569313140 /nfs/dbraw/zinc/31/31/40/569313140.db2.gz ULWPMMLBROFLBJ-UHFFFAOYSA-N 0 0 430.508 5.020 50 0 IKAARN O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)Nc1ccccc1Cl ZINC000013353865 569313460 /nfs/dbraw/zinc/31/34/60/569313460.db2.gz PJQGQECJVKGPNU-UHFFFAOYSA-N 0 0 428.945 6.113 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355198 569313498 /nfs/dbraw/zinc/31/34/98/569313498.db2.gz KRXGYFSYVNEDAZ-UHFFFAOYSA-N 0 0 440.952 5.044 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000013355126 569313524 /nfs/dbraw/zinc/31/35/24/569313524.db2.gz FJTASSNWTWIRQQ-UHFFFAOYSA-N 0 0 448.588 5.514 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355114 569313575 /nfs/dbraw/zinc/31/35/75/569313575.db2.gz ITFKOHSMCAMXKB-UHFFFAOYSA-N 0 0 440.952 5.044 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3ncccc3-n3c(C)ccc3C)cc2)c(OC)c1 ZINC000013356331 569313669 /nfs/dbraw/zinc/31/36/69/569313669.db2.gz IDVJUCMZDUBQHO-UHFFFAOYSA-N 0 0 427.504 5.426 50 0 IKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cs1 ZINC000013358138 569313742 /nfs/dbraw/zinc/31/37/42/569313742.db2.gz NBMSWXAOPXBOKC-UHFFFAOYSA-N 0 0 428.457 5.126 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000013359737 569313835 /nfs/dbraw/zinc/31/38/35/569313835.db2.gz WGIYRMOEKGSGEY-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)CC4CCCCC4)cc3)c(=O)[nH]c2cc1C ZINC000013360980 569313975 /nfs/dbraw/zinc/31/39/75/569313975.db2.gz PZXAVOBISQBNQE-UHFFFAOYSA-N 0 0 435.593 5.741 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)n2)cc1C ZINC000013360709 569313985 /nfs/dbraw/zinc/31/39/85/569313985.db2.gz OLZLRHGBPGHLKD-UHFFFAOYSA-N 0 0 438.936 6.080 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)C2)c1 ZINC000013363052 569314128 /nfs/dbraw/zinc/31/41/28/569314128.db2.gz JJYBZRDXBFPORU-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000013364780 569314218 /nfs/dbraw/zinc/31/42/18/569314218.db2.gz WQTZHZNTLQWFOP-UHFFFAOYSA-N 0 0 425.916 6.143 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(SCc3nc4ccccc4nc3C)cc2)cc1 ZINC000013365396 569314243 /nfs/dbraw/zinc/31/42/43/569314243.db2.gz NLFVVCHDRDDNEU-UHFFFAOYSA-N 0 0 430.533 5.883 50 0 IKAARN COc1cccc(NC(=O)Nc2ccccc2SCc2nc3ccccc3nc2C)c1 ZINC000013365417 569314269 /nfs/dbraw/zinc/31/42/69/569314269.db2.gz JKTFGHIYWOJJMS-UHFFFAOYSA-N 0 0 430.533 5.883 50 0 IKAARN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369150 569314684 /nfs/dbraw/zinc/31/46/84/569314684.db2.gz SKZJZTACDLSHIL-AWEZNQCLSA-N 0 0 443.856 6.575 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013369047 569314723 /nfs/dbraw/zinc/31/47/23/569314723.db2.gz BAIYHXFRSGVCGJ-UHFFFAOYSA-N 0 0 449.938 5.793 50 0 IKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)N1CCC(Cc2ccccc2)CC1 ZINC000013369125 569314754 /nfs/dbraw/zinc/31/47/54/569314754.db2.gz RCUXQIDDTHVOJQ-UHFFFAOYSA-N 0 0 443.978 5.838 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(OC)c1 ZINC000013369158 569314762 /nfs/dbraw/zinc/31/47/62/569314762.db2.gz KAVMIONZYCYKST-OAHLLOKOSA-N 0 0 435.911 5.574 50 0 IKAARN O=C(c1cccs1)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369859 569314823 /nfs/dbraw/zinc/31/48/23/569314823.db2.gz WAKXBPMVEXVXLW-UXHICEINSA-N 0 0 432.593 5.885 50 0 biogenic IKAARN CC[C@H](C(=O)NCc1ccc(OC)cc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369358 569314824 /nfs/dbraw/zinc/31/48/24/569314824.db2.gz FYHSUXFAMWQZQO-JOCHJYFZSA-N 0 0 433.939 5.633 50 0 IKAARN Cc1ccccc1-c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccs1 ZINC000013369958 569314842 /nfs/dbraw/zinc/31/48/42/569314842.db2.gz DRDXVDTVCNJLMY-RTWAWAEBSA-N 0 0 446.620 6.194 50 0 biogenic IKAARN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369213 569314845 /nfs/dbraw/zinc/31/48/45/569314845.db2.gz QSQYITXWERUFQT-QGZVFWFLSA-N 0 0 442.950 5.758 50 0 IKAARN COc1cccc(CNC(=O)CCCn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013369463 569314858 /nfs/dbraw/zinc/31/48/58/569314858.db2.gz LNLJFOYNKQILQK-UHFFFAOYSA-N 0 0 433.939 5.462 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369224 569314868 /nfs/dbraw/zinc/31/48/68/569314868.db2.gz PGQLHFSXXHVBJF-OALUTQOASA-N 0 0 431.967 6.055 50 0 IKAARN Cc1cccc(C(=O)N2c3nc(-c4cccnc4)nn3C3(CCCCC3)[C@@H]3CCCC[C@@H]32)c1 ZINC000013370143 569314885 /nfs/dbraw/zinc/31/48/85/569314885.db2.gz RNDAPQJSLZSEJB-PKTZIBPZSA-N 0 0 441.579 5.527 50 0 biogenic IKAARN COc1ccccc1NC(=O)N1[C@@H](c2cccs2)[C@H](C)C(=O)[C@H](C)[C@H]1c1cccs1 ZINC000013370197 569314937 /nfs/dbraw/zinc/31/49/37/569314937.db2.gz MHAKMYIINLIBJH-ZFJWPNLUSA-N 0 0 440.590 5.990 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4cc5ccccc5oc4=O)ccc3Cl)oc2c(C)c1 ZINC000013370539 569314948 /nfs/dbraw/zinc/31/49/48/569314948.db2.gz ITQPRWCSUZIEFG-UHFFFAOYSA-N 0 0 444.874 6.124 50 0 IKAARN CC(C)c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccc(Cl)c1 ZINC000013370076 569314970 /nfs/dbraw/zinc/31/49/70/569314970.db2.gz JRHNVZPPYYHUQM-UXHICEINSA-N 0 0 426.992 5.934 50 0 biogenic IKAARN Cc1cc2nc(CSc3ccccc3NC(=O)C34CC5CC(CC(C5)C3)C4)cc(=O)n2o1 ZINC000013370313 569314983 /nfs/dbraw/zinc/31/49/83/569314983.db2.gz CSOFIAZGAVLMDD-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN COc1ccccc1-c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccco1 ZINC000013375892 569315245 /nfs/dbraw/zinc/31/52/45/569315245.db2.gz VZELMKBSVZUFMX-UXHICEINSA-N 0 0 446.551 5.425 50 0 biogenic IKAARN CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C(C)(C)Nc1ccccc1 ZINC000002461721 569316208 /nfs/dbraw/zinc/31/62/08/569316208.db2.gz GRCZQAAWAHSMGU-PKHIPVCBSA-N 0 0 444.410 6.628 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000328589522 569316720 /nfs/dbraw/zinc/31/67/20/569316720.db2.gz CQVKRESASDDATA-AREMUKBSSA-N 0 0 439.486 5.881 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](c3nc(Cc4cccnc4)no3)[C@H]2c2cccs2)cc1 ZINC000328590500 569316849 /nfs/dbraw/zinc/31/68/49/569316849.db2.gz QSXGHVAJSHVUSP-CVDCTZTESA-N 0 0 430.533 5.077 50 0 IKAARN Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000328596060 569317810 /nfs/dbraw/zinc/31/78/10/569317810.db2.gz PXKREQZQOCDQNN-UHFFFAOYSA-N 0 0 439.730 5.148 50 0 IKAARN Cc1ccccc1S(=O)(=O)NCc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000328596821 569317979 /nfs/dbraw/zinc/31/79/79/569317979.db2.gz ALBBDDRNVOWYGM-UHFFFAOYSA-N 0 0 438.936 5.048 50 0 IKAARN O=C(Nc1ccc(Oc2cccnc2)nc1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000328597486 569318122 /nfs/dbraw/zinc/31/81/22/569318122.db2.gz HVMOZUOFOLWUMX-UHFFFAOYSA-N 0 0 425.275 5.823 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@@H]1c1cccc(Cl)c1 ZINC000019321521 569318329 /nfs/dbraw/zinc/31/83/29/569318329.db2.gz AATRXUARELIDPS-XMMPIXPASA-N 0 0 429.366 6.458 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](C)c1nc2ccccc2s1 ZINC000078714285 569318438 /nfs/dbraw/zinc/31/84/38/569318438.db2.gz QAKDCYSIGYZERQ-CQSZACIVSA-N 0 0 437.590 5.727 50 0 IKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000019330494 569318495 /nfs/dbraw/zinc/31/84/95/569318495.db2.gz DEXKFLXMEKZHIC-HHHXNRCGSA-N 0 0 432.633 6.132 50 0 IKAARN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000019330526 569318502 /nfs/dbraw/zinc/31/85/02/569318502.db2.gz WRJBPWSOOVWBCT-RUZDIDTESA-N 0 0 426.938 6.333 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)COC(=O)c3c(C)nc4ccccc4c3C)c2)cs1 ZINC000019356723 569318839 /nfs/dbraw/zinc/31/88/39/569318839.db2.gz LPCARVKWYPUEGE-UHFFFAOYSA-N 0 0 431.517 5.079 50 0 IKAARN O=C(CCSc1nnc(-c2cccs2)n1C1CC1)Nc1cccc(Br)c1 ZINC000078823975 569319403 /nfs/dbraw/zinc/31/94/03/569319403.db2.gz UZYXYEYGAIKAMW-UHFFFAOYSA-N 0 0 449.399 5.225 50 0 IKAARN COc1ccc2c(c1)c(C(=O)Nc1ccc3c(c1)NC(=O)CS3)c(C)n2C1CCCC1 ZINC000078874924 569319559 /nfs/dbraw/zinc/31/95/59/569319559.db2.gz RLRAOYJFGCRJOJ-UHFFFAOYSA-N 0 0 435.549 5.370 50 0 IKAARN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)[C@H]1COc2ccccc2O1 ZINC000078875588 569319764 /nfs/dbraw/zinc/31/97/64/569319764.db2.gz PDQYQXNUTCIEEO-HSZRJFAPSA-N 0 0 445.494 5.510 50 0 IKAARN COCc1ccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000078875493 569319793 /nfs/dbraw/zinc/31/97/93/569319793.db2.gz KTRWGGXKUDNBJM-UHFFFAOYSA-N 0 0 442.531 5.018 50 0 IKAARN COc1ccc2c(c1)[C@H](N(Cc1nnc(-c3cccc(F)c3)o1)Cc1ccccc1)CCO2 ZINC000078947617 569320462 /nfs/dbraw/zinc/32/04/62/569320462.db2.gz XJZMQLYMLMNEND-HSZRJFAPSA-N 0 0 445.494 5.410 50 0 IKAARN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000078951101 569320487 /nfs/dbraw/zinc/32/04/87/569320487.db2.gz JUGPDZLEHCMYIT-MDZDMXLPSA-N 0 0 443.927 5.037 50 0 IKAARN O=C(NCc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1)Nc1ccccc1Cl ZINC000078968734 569320846 /nfs/dbraw/zinc/32/08/46/569320846.db2.gz LGGKQYFVOBVDPO-UHFFFAOYSA-N 0 0 445.910 5.100 50 0 IKAARN CCCCS[C@H](C)C(=O)NCc1c(F)cccc1NC(=O)[C@H](C)SCCCC ZINC000079016008 569321994 /nfs/dbraw/zinc/32/19/94/569321994.db2.gz RTWDVFRSDOJFBT-CVEARBPZSA-N 0 0 428.639 5.224 50 0 IKAARN CC(C)c1nnc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)s1 ZINC000079019800 569322426 /nfs/dbraw/zinc/32/24/26/569322426.db2.gz DGKDWZWOLHFYMT-UHFFFAOYSA-N 0 0 437.956 5.098 50 0 IKAARN c1csc(CCn2cnnc2S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)c1 ZINC000079024334 569322769 /nfs/dbraw/zinc/32/27/69/569322769.db2.gz LVVUVZPFZBBPAV-HXUWFJFHSA-N 0 0 445.573 5.514 50 0 IKAARN COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000079052653 569323555 /nfs/dbraw/zinc/32/35/55/569323555.db2.gz QDUUOQUVWXIZGW-SIKLNZKXSA-N 0 0 446.975 5.265 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)Nc1cccc(CCC(F)(F)F)c1 ZINC000079057107 569323767 /nfs/dbraw/zinc/32/37/67/569323767.db2.gz FQWKHWVFVYAYNM-UHFFFAOYSA-N 0 0 441.540 6.068 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000079068427 569324457 /nfs/dbraw/zinc/32/44/57/569324457.db2.gz VZUVIOWIFOIDCV-HSZRJFAPSA-N 0 0 425.463 5.032 50 0 IKAARN O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000079110605 569326033 /nfs/dbraw/zinc/32/60/33/569326033.db2.gz HWDARVXSCHCIEF-TZIWHRDSSA-N 0 0 449.461 5.083 50 0 IKAARN CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)CC1 ZINC000019796657 569329523 /nfs/dbraw/zinc/32/95/23/569329523.db2.gz PIXCEJMUVKQWJH-GTPINHCMSA-N 0 0 441.597 5.489 50 0 IKAARN CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)s2)CC1 ZINC000019796585 569329570 /nfs/dbraw/zinc/32/95/70/569329570.db2.gz BFNMMDKFHCYMNE-OOHWJJMZSA-N 0 0 441.597 5.773 50 0 IKAARN CCc1ccc(Nc2nc3c(nc(C(F)(F)F)n3-c3ccc(CC)cc3)c(C)n2)cc1 ZINC000019816079 569329993 /nfs/dbraw/zinc/32/99/93/569329993.db2.gz LIUOTJKOHOQDST-UHFFFAOYSA-N 0 0 425.458 6.011 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCn4c5ccccc5nc4C3)cc2Cl)c1 ZINC000019855360 569330490 /nfs/dbraw/zinc/33/04/90/569330490.db2.gz LBXXXCIOJAVNMQ-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN Cc1cc2n(n1)[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)Nc1c(C)cc(C)cc1-2 ZINC000020060243 569332962 /nfs/dbraw/zinc/33/29/62/569332962.db2.gz OJOPKSKNRVVNFN-GDLZYMKVSA-N 0 0 445.570 6.609 50 0 IKAARN CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000020065163 569333097 /nfs/dbraw/zinc/33/30/97/569333097.db2.gz NKPVUUAYPKTESU-UKILVPOCSA-N 0 0 441.531 5.183 50 0 IKAARN Cc1ccc(Cl)c(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)c1 ZINC000020070074 569333409 /nfs/dbraw/zinc/33/34/09/569333409.db2.gz UQISQRDHFTVBHR-HSZRJFAPSA-N 0 0 446.963 5.918 50 0 IKAARN CCCCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 ZINC000020073754 569333830 /nfs/dbraw/zinc/33/38/30/569333830.db2.gz ONSJYXKQPBRQOZ-CPNJWEJPSA-N 0 0 444.940 5.403 50 0 IKAARN Clc1cccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2Cl)c1 ZINC000020073979 569333851 /nfs/dbraw/zinc/33/38/51/569333851.db2.gz BVWABNYUDDANGD-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1NCCc1ccc(OC)c(OC)c1 ZINC000020103804 569334164 /nfs/dbraw/zinc/33/41/64/569334164.db2.gz FESHMODJYIPEQC-UHFFFAOYSA-N 0 0 448.441 5.102 50 0 IKAARN COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2ccc(Cl)cc2)cc1OC ZINC000020107626 569334259 /nfs/dbraw/zinc/33/42/59/569334259.db2.gz SDUXJNBCBXOARM-UHFFFAOYSA-N 0 0 441.984 5.194 50 0 IKAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1cccnc1 ZINC000020107719 569334270 /nfs/dbraw/zinc/33/42/70/569334270.db2.gz VFGMNBXEUGRQCG-UHFFFAOYSA-N 0 0 425.557 6.273 50 0 IKAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)Nc1nc2ccccc2s1 ZINC000020105172 569334308 /nfs/dbraw/zinc/33/43/08/569334308.db2.gz HRKDMFLBCSZQQA-UHFFFAOYSA-N 0 0 439.993 6.108 50 0 IKAARN COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2cc(C)cc(C)c2)cc1OC ZINC000020107908 569334365 /nfs/dbraw/zinc/33/43/65/569334365.db2.gz LKQDNTNTBSFVPW-UHFFFAOYSA-N 0 0 435.593 5.157 50 0 IKAARN CCc1ccc(NC(=S)N(CCc2ccc(OC)c(OC)c2)Cc2ccccn2)cc1 ZINC000020107742 569334409 /nfs/dbraw/zinc/33/44/09/569334409.db2.gz KKEJDYDSVBFRBM-UHFFFAOYSA-N 0 0 435.593 5.103 50 0 IKAARN COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000020111708 569334632 /nfs/dbraw/zinc/33/46/32/569334632.db2.gz VCYLUWWVUJRDTH-PZJWPPBQSA-N 0 0 425.569 5.385 50 0 biogenic IKAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000020108910 569334652 /nfs/dbraw/zinc/33/46/52/569334652.db2.gz HNPCLQYHVOFEHF-YADHBBJMSA-N 0 0 438.886 5.037 50 0 IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C(F)(F)F)[C@@H]1c1cccs1 ZINC000020115888 569334973 /nfs/dbraw/zinc/33/49/73/569334973.db2.gz OJHKHFCUWDZDBG-MOPGFXCFSA-N 0 0 430.451 5.316 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C(F)(F)F)[C@@H]1c1cccs1 ZINC000020115884 569335012 /nfs/dbraw/zinc/33/50/12/569335012.db2.gz OJHKHFCUWDZDBG-OALUTQOASA-N 0 0 430.451 5.316 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2ncc(C(=O)Nc3ccccc3)c2N1 ZINC000020134846 569335754 /nfs/dbraw/zinc/33/57/54/569335754.db2.gz IRNCINCDUUEFKX-DEOSSOPVSA-N 0 0 449.514 5.063 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020138874 569336119 /nfs/dbraw/zinc/33/61/19/569336119.db2.gz WGHSAKDZQLUQQS-YADHBBJMSA-N 0 0 436.433 5.181 50 0 IKAARN CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=S)N2C(=O)c1ccc(F)cc1 ZINC000020152243 569336578 /nfs/dbraw/zinc/33/65/78/569336578.db2.gz VRBBGQRKHISOSL-UHFFFAOYSA-N 0 0 449.378 6.311 50 0 IKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCC(C)CC3)cc1 ZINC000020152266 569336639 /nfs/dbraw/zinc/33/66/39/569336639.db2.gz XAZWLXJQRDMGEB-UHFFFAOYSA-N 0 0 445.415 6.481 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000020152200 569336645 /nfs/dbraw/zinc/33/66/45/569336645.db2.gz ZRXNPSRKSNAOHO-UHFFFAOYSA-N 0 0 446.403 6.145 50 0 IKAARN C[C@@]12C[C@@H](c3cc(Cl)ccc3O1)N(C(=O)c1cccs1)C(=S)N2c1ccccc1 ZINC000020156159 569353705 /nfs/dbraw/zinc/35/37/05/569353705.db2.gz BOCMBINHQQGHKE-JTSKRJEESA-N 0 0 440.977 5.889 50 0 IKAARN COc1ccc(/C=C/c2nc3ccccc3c3c2C(=O)N(c2ccc(OC)cc2)C3=O)cc1 ZINC000020154978 569353714 /nfs/dbraw/zinc/35/37/14/569353714.db2.gz NSHVYFSIFNFIRB-CXUHLZMHSA-N 0 0 436.467 5.223 50 0 IKAARN CC1=Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Sc2ccc(Cl)cc21 ZINC000020178868 569354618 /nfs/dbraw/zinc/35/46/18/569354618.db2.gz BMCOLNGBMGFOPL-UHFFFAOYSA-N 0 0 427.356 6.529 50 0 IKAARN CCC1=Nc2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccc(Cl)cc21 ZINC000020178903 569354626 /nfs/dbraw/zinc/35/46/26/569354626.db2.gz SSYBFZTUEPTUJV-UHFFFAOYSA-N 0 0 441.383 6.919 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)c(Cl)c1 ZINC000020178255 569354642 /nfs/dbraw/zinc/35/46/42/569354642.db2.gz JUWZKYJFPBDRQQ-HXUWFJFHSA-N 0 0 428.294 6.692 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2Sc2ccc(Cl)cc21 ZINC000020178923 569354648 /nfs/dbraw/zinc/35/46/48/569354648.db2.gz VDHZZBUWFDKNRQ-UHFFFAOYSA-N 0 0 449.019 7.006 50 0 IKAARN CCC1=Nc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2Sc2ccccc21 ZINC000020178848 569354690 /nfs/dbraw/zinc/35/46/90/569354690.db2.gz AULIRHALSBAFNS-UHFFFAOYSA-N 0 0 441.600 5.640 50 0 IKAARN CC(C)NC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179404 569354766 /nfs/dbraw/zinc/35/47/66/569354766.db2.gz UPACAAWOKBBUQX-IWIPYMOSSA-N 0 0 446.547 5.644 50 0 IKAARN CCCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000020179368 569354820 /nfs/dbraw/zinc/35/48/20/569354820.db2.gz WSTBEFOTCZMFFQ-UQQQWYQISA-N 0 0 444.506 5.322 50 0 IKAARN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000020179882 569354886 /nfs/dbraw/zinc/35/48/86/569354886.db2.gz JYTBAUCEQJAFFD-BKUYFWCQSA-N 0 0 426.969 5.512 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000020179852 569354935 /nfs/dbraw/zinc/35/49/35/569354935.db2.gz SQHDUONETNGAAL-CLYVFYLZSA-N 0 0 440.996 5.758 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)[C@@H]1C ZINC000020179958 569354955 /nfs/dbraw/zinc/35/49/55/569354955.db2.gz KMHVMSBBZCFWKU-IVCQTUOJSA-N 0 0 438.568 5.490 50 0 IKAARN CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NC3CCCCCCC3)cc21 ZINC000020179932 569354961 /nfs/dbraw/zinc/35/49/61/569354961.db2.gz IQJLQCVRXSPQEY-KQWNVCNZSA-N 0 0 438.568 5.778 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2 ZINC000020180352 569355004 /nfs/dbraw/zinc/35/50/04/569355004.db2.gz STQNKDKNQILOHA-PXWFHWEYSA-N 0 0 440.996 5.758 50 0 IKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)NCc4ccc(F)cc4)cc3N(C)C2=O)c1 ZINC000020180040 569355015 /nfs/dbraw/zinc/35/50/15/569355015.db2.gz GYNDURXWSSVTOO-QRVIBDJDSA-N 0 0 432.520 5.174 50 0 IKAARN CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000020180314 569355023 /nfs/dbraw/zinc/35/50/23/569355023.db2.gz FTWFUKNPTIMOFI-HMAPJEAMSA-N 0 0 434.948 5.380 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NC3CCCCCCC3)cc2N(C)C1=O ZINC000020180103 569355037 /nfs/dbraw/zinc/35/50/37/569355037.db2.gz ZVOWGMHOTUDWTK-ULJHMMPZSA-N 0 0 434.605 5.947 50 0 IKAARN CC1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)CC1 ZINC000020180279 569355045 /nfs/dbraw/zinc/35/50/45/569355045.db2.gz LBYAHNGXJTZVQN-STZFKDTASA-N 0 0 426.969 5.322 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2 ZINC000020180273 569355059 /nfs/dbraw/zinc/35/50/59/569355059.db2.gz ACDNHUFHOYRRPY-HAHDFKILSA-N 0 0 448.975 5.722 50 0 IKAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NC1CCCCCCC1 ZINC000020180643 569355115 /nfs/dbraw/zinc/35/51/15/569355115.db2.gz NTBNVHYSHGPQQN-XQNSMLJCSA-N 0 0 438.955 5.336 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCc3ccccc3Cl)C2=O)cc1 ZINC000020181243 569355295 /nfs/dbraw/zinc/35/52/95/569355295.db2.gz NQTZQJHSOHLWON-OEAKJJBVSA-N 0 0 448.975 5.445 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)[C@@H]1C ZINC000020181172 569355322 /nfs/dbraw/zinc/35/53/22/569355322.db2.gz NIVOOVJIAXRMQY-JWXWZRFASA-N 0 0 438.568 5.246 50 0 IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@H](C)c3ccccc3)C2=O)cc1 ZINC000020181612 569355404 /nfs/dbraw/zinc/35/54/04/569355404.db2.gz GWOKVWORCGINKG-WZGTUUFSSA-N 0 0 442.584 5.606 50 0 IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000020181626 569355405 /nfs/dbraw/zinc/35/54/05/569355405.db2.gz YNZUHQZVVOGLKQ-MMEOWQQISA-N 0 0 434.605 5.424 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)Nc3ccccc3)[nH]2)cc1 ZINC000020182428 569355432 /nfs/dbraw/zinc/35/54/32/569355432.db2.gz DJSISMROOQBOLJ-UHFFFAOYSA-N 0 0 433.508 5.622 50 0 IKAARN CCc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 ZINC000020182371 569355466 /nfs/dbraw/zinc/35/54/66/569355466.db2.gz ZRTRORHFFHEXEG-UHFFFAOYSA-N 0 0 438.553 5.633 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1C ZINC000020192430 569355755 /nfs/dbraw/zinc/35/57/55/569355755.db2.gz JMESXJBPGPACPU-QHCPKHFHSA-N 0 0 438.593 5.755 50 0 IKAARN CCn1cc(CN(C(=S)Nc2c(C)cc(C)cc2C)C2CCCCCC2)c2ccccc21 ZINC000020212733 569356339 /nfs/dbraw/zinc/35/63/39/569356339.db2.gz FQSUACDKVWXJNA-UHFFFAOYSA-N 0 0 447.692 7.508 50 0 IKAARN Cn1cc(CN(C(=S)Nc2cccc(C(F)(F)F)c2)C2CCCCC2)c2ccccc21 ZINC000020212644 569356351 /nfs/dbraw/zinc/35/63/51/569356351.db2.gz WZHZLTCJDYDHRO-UHFFFAOYSA-N 0 0 445.554 6.729 50 0 IKAARN Cn1cc(CN(C(=S)Nc2cc(F)cc(F)c2)C2CCCCCC2)c2ccccc21 ZINC000020212593 569356367 /nfs/dbraw/zinc/35/63/67/569356367.db2.gz APWCPWWSVNWUIJ-UHFFFAOYSA-N 0 0 427.564 6.378 50 0 IKAARN CCn1cc(CN(C(=S)Nc2ccccc2OC)C2CCCCCC2)c2ccccc21 ZINC000020212729 569356370 /nfs/dbraw/zinc/35/63/70/569356370.db2.gz JKPTYWINKFWEPY-UHFFFAOYSA-N 0 0 435.637 6.592 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3ccc(F)cc3)c2c1 ZINC000020216437 569356685 /nfs/dbraw/zinc/35/66/85/569356685.db2.gz YVZCIMZECYYYKP-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2ccccn2)cc1 ZINC000020216423 569356697 /nfs/dbraw/zinc/35/66/97/569356697.db2.gz FPRBKFFHCINAMO-UHFFFAOYSA-N 0 0 444.604 5.712 50 0 IKAARN COc1ccc(-c2nn(C)c3sc(C(=O)N(C)c4ccc(Cl)cc4)cc23)cc1OC ZINC000020233701 569357278 /nfs/dbraw/zinc/35/72/78/569357278.db2.gz OKZFSNRRVQSIIY-UHFFFAOYSA-N 0 0 441.940 5.249 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NC3CCCCC3)C2=O)c1 ZINC000020237622 569357495 /nfs/dbraw/zinc/35/74/95/569357495.db2.gz SBJHHVADLPWRHJ-YADARESESA-N 0 0 436.621 5.396 50 0 IKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1nc2ccccc2s1 ZINC000020239223 569357589 /nfs/dbraw/zinc/35/75/89/569357589.db2.gz PQVZQVKFFDXVRA-UHFFFAOYSA-N 0 0 439.993 6.108 50 0 IKAARN CCc1ccc(-c2nc(CSCC(=O)NCCCSC3CCCCC3)c(C)o2)cc1 ZINC000020241276 569357871 /nfs/dbraw/zinc/35/78/71/569357871.db2.gz WRVJHXVDWOOAPP-UHFFFAOYSA-N 0 0 446.682 6.018 50 0 IKAARN CCOc1ccc2c(c1)[C@H](SCC(=O)N1C[C@H](C)C[C@@H](C)C1)CC1(CCCCC1)O2 ZINC000020280065 569358648 /nfs/dbraw/zinc/35/86/48/569358648.db2.gz FHSMBDPSZGZCQW-DNVFCKCGSA-N 0 0 431.642 5.850 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3nc4Cl)C[C@@H]2C)cc1 ZINC000020286120 569359061 /nfs/dbraw/zinc/35/90/61/569359061.db2.gz JXEHPUXKQQIFDM-INIZCTEOSA-N 0 0 435.980 5.762 50 0 IKAARN Cc1ccc2oc(=O)c3cc(C(=O)N(Cc4ccco4)[C@@H]4CCC[C@@H](C)[C@H]4C)sc3c2c1 ZINC000020286386 569359133 /nfs/dbraw/zinc/35/91/33/569359133.db2.gz KYRUCAMXKCNTCC-CBGDNZLLSA-N 0 0 449.572 6.376 50 0 IKAARN Cc1ccc2oc(=O)c3cc(C(=O)Nc4cc(-c5cccc(Cl)c5)no4)sc3c2c1 ZINC000020286394 569359144 /nfs/dbraw/zinc/35/91/44/569359144.db2.gz WGXKVEJWMMZIRC-UHFFFAOYSA-N 0 0 436.876 5.877 50 0 IKAARN CCN(CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1cccc(C)c1 ZINC000020286126 569359171 /nfs/dbraw/zinc/35/91/71/569359171.db2.gz NPELPLKVNXZZED-UHFFFAOYSA-N 0 0 437.996 6.058 50 0 IKAARN CCOc1ccc(-c2cc(NC(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)on2)cc1 ZINC000020286858 569359200 /nfs/dbraw/zinc/35/92/00/569359200.db2.gz PWEVTFKMGIDGMR-UHFFFAOYSA-N 0 0 447.922 6.073 50 0 IKAARN O=C(c1cc2c(s1)c1ccccc1nc2Cl)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000020286228 569359208 /nfs/dbraw/zinc/35/92/08/569359208.db2.gz ZUNRVOYSYKILOM-HNNXBMFYSA-N 0 0 426.925 5.517 50 0 IKAARN COc1cccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3nc4Cl)CC2)c1 ZINC000020286200 569359220 /nfs/dbraw/zinc/35/92/20/569359220.db2.gz PVDZCIVHBGFSQP-UHFFFAOYSA-N 0 0 437.952 5.074 50 0 IKAARN COc1cc(OC)c(N(C)C(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1Cl ZINC000020286824 569359223 /nfs/dbraw/zinc/35/92/23/569359223.db2.gz OZHPHNYUBBMCPO-UHFFFAOYSA-N 0 0 445.346 5.714 50 0 IKAARN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)c1cc2ccccc2[nH]1 ZINC000095215373 569359377 /nfs/dbraw/zinc/35/93/77/569359377.db2.gz KDZGHQVBEWMXHZ-HZJYTTRNSA-N 0 0 436.640 7.280 50 0 in-vitro IKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2F)cc1 ZINC000020319165 569359957 /nfs/dbraw/zinc/35/99/57/569359957.db2.gz JOTJUWFZNYMXGC-HXUWFJFHSA-N 0 0 442.288 5.153 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2ccc(F)cc2)c(=O)n1-c1ccccc1Cl ZINC000020354863 569361134 /nfs/dbraw/zinc/36/11/34/569361134.db2.gz GJOZOOPAGHUAAD-UHFFFAOYSA-N 0 0 436.895 5.208 50 0 IKAARN Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1C ZINC000020354854 569361162 /nfs/dbraw/zinc/36/11/62/569361162.db2.gz KVKSIHPKPLDQTB-UHFFFAOYSA-N 0 0 426.541 5.341 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(C)c1)S2 ZINC000020355307 569361204 /nfs/dbraw/zinc/36/12/04/569361204.db2.gz MBEXICLBHFYHFF-YDZHTSKRSA-N 0 0 430.529 5.019 50 0 IKAARN CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355240 569361240 /nfs/dbraw/zinc/36/12/40/569361240.db2.gz CNWSODKAJTYZHU-KOEQRZSOSA-N 0 0 426.516 5.102 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NC[C@@H](C)c4ccccc4)cc3NC2=O)cc1 ZINC000020355354 569361393 /nfs/dbraw/zinc/36/13/93/569361393.db2.gz SWWLVAFSIVBMDO-SDCZFJSOSA-N 0 0 428.557 5.614 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c1C ZINC000095349030 569361617 /nfs/dbraw/zinc/36/16/17/569361617.db2.gz IOFDEXJYMTYZFQ-UHFFFAOYSA-N 0 0 427.576 6.000 50 0 IKAARN Cc1cccc(C)c1OC1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1 ZINC000095351291 569362041 /nfs/dbraw/zinc/36/20/41/569362041.db2.gz DREKPBGRBNFLFN-UHFFFAOYSA-N 0 0 448.177 5.996 50 0 IKAARN CC(C)C[NH+](CCNCc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-])CC(C)C ZINC000020379383 569362497 /nfs/dbraw/zinc/36/24/97/569362497.db2.gz WVUGLDLXFHJYJH-UHFFFAOYSA-N 0 0 435.612 5.091 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC[C@@H]3C)c2c1 ZINC000020381547 569362675 /nfs/dbraw/zinc/36/26/75/569362675.db2.gz IQPOTCDMUATQBP-HNNXBMFYSA-N 0 0 430.957 5.108 50 0 IKAARN COc1ccc(CNc2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000020382526 569362752 /nfs/dbraw/zinc/36/27/52/569362752.db2.gz DLQOCWLDVSYCEA-UHFFFAOYSA-N 0 0 438.936 5.342 50 0 IKAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(F)cc3)c2c1 ZINC000020382482 569362777 /nfs/dbraw/zinc/36/27/77/569362777.db2.gz MWAVIFFHSTUTNL-UHFFFAOYSA-N 0 0 434.536 5.690 50 0 IKAARN Clc1ccc(/C=C/c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c(Cl)c1 ZINC000080346288 569362896 /nfs/dbraw/zinc/36/28/96/569362896.db2.gz ULOBTTQARAGYAL-DUXPYHPUSA-N 0 0 431.392 6.131 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCCCc4ccccc4)cc32)cc1 ZINC000020385621 569363014 /nfs/dbraw/zinc/36/30/14/569363014.db2.gz QTHQPJJTPAZMRZ-UHFFFAOYSA-N 0 0 445.588 5.388 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4cccc(C)c4C)cc32)cc1 ZINC000020385588 569363017 /nfs/dbraw/zinc/36/30/17/569363017.db2.gz KXHIWVOLVSZBPC-UHFFFAOYSA-N 0 0 431.561 5.895 50 0 IKAARN Cc1c(NC(=O)Nc2cc(Cl)ccc2C)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000020385374 569363043 /nfs/dbraw/zinc/36/30/43/569363043.db2.gz FAHYPSQPJHIWNU-LLVKDONJSA-N 0 0 430.961 5.345 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000020386683 569363135 /nfs/dbraw/zinc/36/31/35/569363135.db2.gz IMJCBQOJYRKZRT-AREMUKBSSA-N 0 0 438.999 5.179 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000020387309 569363139 /nfs/dbraw/zinc/36/31/39/569363139.db2.gz XPZHAQUVNKWZMF-SANMLTNESA-N 0 0 438.999 5.526 50 0 IKAARN COc1ccc(Cn2c3cnccc3nc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000020388922 569363277 /nfs/dbraw/zinc/36/32/77/569363277.db2.gz BTPOTWTYPVKLKA-UHFFFAOYSA-N 0 0 429.467 5.799 50 0 IKAARN Cc1ccc(OCCOCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1C ZINC000020394925 569363410 /nfs/dbraw/zinc/36/34/10/569363410.db2.gz WZUNRUFAJZFWDV-XSFVSMFZSA-N 0 0 429.563 5.107 50 0 IKAARN Cc1ccc(OCCOCCOc2ccccc2C=C2SC(=S)NC2=O)cc1C ZINC000020394928 569363459 /nfs/dbraw/zinc/36/34/59/569363459.db2.gz ORGGMQUEWPRJMG-ZHZULCJRSA-N 0 0 429.563 5.107 50 0 IKAARN FC(F)(F)c1cnc(N2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c(Cl)c1 ZINC000020405657 569363789 /nfs/dbraw/zinc/36/37/89/569363789.db2.gz MOCGNQBSELPVAZ-UHFFFAOYSA-N 0 0 441.284 6.181 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)[C@@H]1C ZINC000020415107 569364299 /nfs/dbraw/zinc/36/42/99/569364299.db2.gz LMGHQHYNGFHAHX-IIDMSEBBSA-N 0 0 440.588 5.141 50 0 IKAARN Cc1ccc(C)c(NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)c1 ZINC000020415061 569364351 /nfs/dbraw/zinc/36/43/51/569364351.db2.gz GNSSIGTUTJVCDN-UHFFFAOYSA-N 0 0 434.540 5.456 50 0 IKAARN Cc1[nH]c([C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)nc1-c1ccccc1 ZINC000095408499 569364790 /nfs/dbraw/zinc/36/47/90/569364790.db2.gz PLBQUNFDMQAMCO-NRFANRHFSA-N 0 0 429.524 5.103 50 0 IKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)NCCc4ccc(Cl)cc4)oc3ccc2O1 ZINC000020418226 569365164 /nfs/dbraw/zinc/36/51/64/569365164.db2.gz DSBBTDBHCHAQGG-XMMPIXPASA-N 0 0 425.912 5.501 50 0 IKAARN COc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)cc1 ZINC000020437102 569365579 /nfs/dbraw/zinc/36/55/79/569365579.db2.gz BWTLZYFPBAFVTK-UHFFFAOYSA-N 0 0 442.563 5.543 50 0 IKAARN COc1ccccc1-c1nn(CCC(=O)NCCC2=CCCCC2)c2nc(C)cc(C)c12 ZINC000020437703 569365581 /nfs/dbraw/zinc/36/55/81/569365581.db2.gz AGZKBXJMTKZXIM-UHFFFAOYSA-N 0 0 432.568 5.121 50 0 IKAARN COc1ccccc1-c1nn(CCC(=O)NC[C@@H](C)c2ccccc2)c2nc(C)cc(C)c12 ZINC000020437662 569365596 /nfs/dbraw/zinc/36/55/96/569365596.db2.gz VNBKCAUPWOFWAD-LJQANCHMSA-N 0 0 442.563 5.034 50 0 IKAARN CCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1F ZINC000020438830 569365599 /nfs/dbraw/zinc/36/55/99/569365599.db2.gz ZDHGRKNWGUBZBE-QJOMJCCJSA-N 0 0 435.543 5.220 50 0 IKAARN CCc1cccc(NC(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)c1 ZINC000020437658 569365617 /nfs/dbraw/zinc/36/56/17/569365617.db2.gz TXILLHZEDJARKE-UHFFFAOYSA-N 0 0 428.536 5.315 50 0 IKAARN CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)c2ccccc21 ZINC000020438907 569365618 /nfs/dbraw/zinc/36/56/18/569365618.db2.gz IOFUOWTXPGDLBP-JWGURIENSA-N 0 0 435.955 5.098 50 0 IKAARN CN(Cc1nc(C(F)(F)F)no1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000095450929 569367758 /nfs/dbraw/zinc/36/77/58/569367758.db2.gz XVLVMYQLQITWPS-UHFFFAOYSA-N 0 0 429.320 5.046 50 0 IKAARN CCN(C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000095454912 569368386 /nfs/dbraw/zinc/36/83/86/569368386.db2.gz BCRUPRKQSASHOI-VWLOTQADSA-N 0 0 445.538 5.670 50 0 IKAARN O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456442 569368816 /nfs/dbraw/zinc/36/88/16/569368816.db2.gz ZRWDCSHWTXKWAQ-RTWAWAEBSA-N 0 0 440.374 5.121 50 0 IKAARN CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000095458917 569369210 /nfs/dbraw/zinc/36/92/10/569369210.db2.gz JROYXEBDYTVEOX-TZIWHRDSSA-N 0 0 438.534 5.277 50 0 IKAARN CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(COc3ccccc3F)o2)CC1 ZINC000095459091 569369303 /nfs/dbraw/zinc/36/93/03/569369303.db2.gz UWUIUGVCZHIFBV-UHFFFAOYSA-N 0 0 447.510 5.387 50 0 IKAARN Cn1c(CCCNC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)nc2ccccc21 ZINC000095465652 569370797 /nfs/dbraw/zinc/37/07/97/569370797.db2.gz DQIFFQDMQUHKMD-ZWKOTPCHSA-N 0 0 449.986 5.126 50 0 IKAARN Cn1c(CCCNC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)nc2ccccc21 ZINC000095465655 569370806 /nfs/dbraw/zinc/37/08/06/569370806.db2.gz DQIFFQDMQUHKMD-MSOLQXFVSA-N 0 0 449.986 5.126 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)N(c3ccc(N(C)C)cc3)[C@@H](C)c3ccccn3)cs2)o1 ZINC000095468116 569371219 /nfs/dbraw/zinc/37/12/19/569371219.db2.gz PCRAXZZZAXRYNU-SFHVURJKSA-N 0 0 446.576 5.509 50 0 IKAARN C[C@@H](c1nnc(SCCSc2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000095469635 569371550 /nfs/dbraw/zinc/37/15/50/569371550.db2.gz NZVMJIXHLKSFIV-AWEZNQCLSA-N 0 0 437.009 5.567 50 0 IKAARN COc1cccc(-n2cnc3c2[C@H](c2ccc(OC(C)C)c(OC)c2)SCC(=O)N3)c1 ZINC000095474465 569372620 /nfs/dbraw/zinc/37/26/20/569372620.db2.gz SADGVVTVZCBHMF-QFIPXVFZSA-N 0 0 439.537 5.101 50 0 IKAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3cccc(OC(F)F)c3)c21 ZINC000095474349 569372637 /nfs/dbraw/zinc/37/26/37/569372637.db2.gz YALMIEOXBAMSPJ-SFHVURJKSA-N 0 0 440.446 5.209 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(c2ccc3c4c(cccc42)CC3)C1 ZINC000095481761 569374201 /nfs/dbraw/zinc/37/42/01/569374201.db2.gz QLKAAEQFNBDCGN-IBGZPJMESA-N 0 0 439.540 5.054 50 0 IKAARN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(Cl)cc1Cl ZINC000095482191 569374324 /nfs/dbraw/zinc/37/43/24/569374324.db2.gz NBGNNAWYGPLSFM-UHFFFAOYSA-N 0 0 441.112 5.078 50 0 IKAARN FC(F)(F)c1cccc(-c2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2)c1 ZINC000095921825 569375324 /nfs/dbraw/zinc/37/53/24/569375324.db2.gz GSCQNMUUWMEDJL-UHFFFAOYSA-N 0 0 425.159 6.884 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2nc(-c3cccs3)no2)Cc2ccccc2)c1 ZINC000095947050 569376211 /nfs/dbraw/zinc/37/62/11/569376211.db2.gz MPGKOQFNGFTHOS-KRWDZBQOSA-N 0 0 432.549 5.520 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000095951607 569376682 /nfs/dbraw/zinc/37/66/82/569376682.db2.gz SMEIEUVFNDHMBW-UHFFFAOYSA-N 0 0 437.758 5.045 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000095957792 569376999 /nfs/dbraw/zinc/37/69/99/569376999.db2.gz AFONLKHDQCNRRU-UHFFFAOYSA-N 0 0 439.968 5.569 50 0 IKAARN O=C(CN(C(=O)c1ccccc1)c1ccccc1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000095991393 569378167 /nfs/dbraw/zinc/37/81/67/569378167.db2.gz RLKIPJZRRKOPRP-UHFFFAOYSA-N 0 0 448.482 5.175 50 0 IKAARN Cc1cccc([C@H](N(Cc2ccccc2)C(=O)CCNC(=O)c2ccco2)C(F)(F)F)c1 ZINC000096003460 569379267 /nfs/dbraw/zinc/37/92/67/569379267.db2.gz VYDHDXADRVTJAA-QFIPXVFZSA-N 0 0 444.453 5.040 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000096008128 569379590 /nfs/dbraw/zinc/37/95/90/569379590.db2.gz GTUDRRUNOQEARX-NRFANRHFSA-N 0 0 444.453 5.202 50 0 IKAARN O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1csc(-c2ncccc2F)n1 ZINC000096011104 569379790 /nfs/dbraw/zinc/37/97/90/569379790.db2.gz JQBQFOVRQPXCPE-UHFFFAOYSA-N 0 0 433.436 5.103 50 0 IKAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Br)cc2)nc1C(C)C ZINC000096011635 569379947 /nfs/dbraw/zinc/37/99/47/569379947.db2.gz CCMVPOUNTPTFRF-UHFFFAOYSA-N 0 0 441.373 5.341 50 0 IKAARN Cc1csc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)n1 ZINC000096012633 569380201 /nfs/dbraw/zinc/38/02/01/569380201.db2.gz LHLLIDJKLYEJET-GOSISDBHSA-N 0 0 435.471 5.238 50 0 IKAARN Cc1csc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)n1 ZINC000096012632 569380253 /nfs/dbraw/zinc/38/02/53/569380253.db2.gz LHLLIDJKLYEJET-SFHVURJKSA-N 0 0 435.471 5.238 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024820 569380608 /nfs/dbraw/zinc/38/06/08/569380608.db2.gz WCPSDZLPWUSZAY-UHFFFAOYSA-N 0 0 432.307 5.035 50 0 IKAARN CC(=O)N(c1nc(/C=C\C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cs1)c1ccccc1F ZINC000096035225 569380903 /nfs/dbraw/zinc/38/09/03/569380903.db2.gz FGZUURNILPZFHC-DOOKAGJSSA-N 0 0 443.466 5.073 50 0 IKAARN Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)/C=C/c3ccccc3)n2)cc1Cl ZINC000096096024 569381054 /nfs/dbraw/zinc/38/10/54/569381054.db2.gz JJWOWKJHUYXDRP-ZRDIBKRKSA-N 0 0 447.922 5.576 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096096141 569381183 /nfs/dbraw/zinc/38/11/83/569381183.db2.gz RJSLBMVNQUXJBW-SGLMEMEBSA-N 0 0 429.442 5.672 50 0 IKAARN Cc1ccc(-c2noc(CCN(C(=O)/C=C/c3ccccc3)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096096129 569381243 /nfs/dbraw/zinc/38/12/43/569381243.db2.gz WTUBCGHBITVTPT-LXKWBGADSA-N 0 0 437.543 5.891 50 0 IKAARN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)/C=C/c3ccccc3)n2)c1 ZINC000096096174 569381245 /nfs/dbraw/zinc/38/12/45/569381245.db2.gz IGMRBBSPGDDQKA-FOCLMDBBSA-N 0 0 439.515 5.030 50 0 IKAARN Cc1nc(COc2ccccc2/C=C\C(=O)Nc2ccccc2NCC(F)(F)F)cs1 ZINC000096102433 569381865 /nfs/dbraw/zinc/38/18/65/569381865.db2.gz WMRBIFKLEJTLNF-KHPPLWFESA-N 0 0 447.482 5.657 50 0 IKAARN CC(C)Sc1ccc(CC(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)cc1 ZINC000096102968 569381882 /nfs/dbraw/zinc/38/18/82/569381882.db2.gz HNCCEXJOSNRJJS-UHFFFAOYSA-N 0 0 444.560 5.404 50 0 IKAARN O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000096103663 569382176 /nfs/dbraw/zinc/38/21/76/569382176.db2.gz NYEONVGUMMMXTC-LJQANCHMSA-N 0 0 446.469 5.054 50 0 IKAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000096116788 569384018 /nfs/dbraw/zinc/38/40/18/569384018.db2.gz VSDKNURJXFKBEG-YCRPNKLZSA-N 0 0 437.565 5.354 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000096117815 569384293 /nfs/dbraw/zinc/38/42/93/569384293.db2.gz PQAJZABVZXRVIX-LRDDRELGSA-N 0 0 426.369 5.499 50 0 IKAARN CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1 ZINC000096119083 569384511 /nfs/dbraw/zinc/38/45/11/569384511.db2.gz NSIRJEFXBRGCRG-QGZVFWFLSA-N 0 0 427.595 5.247 50 0 IKAARN CC(C)c1sc(Br)nc1C(=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000096118820 569384594 /nfs/dbraw/zinc/38/45/94/569384594.db2.gz DQPWHWXABMBTQT-UHFFFAOYSA-N 0 0 435.391 5.048 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119106 569384701 /nfs/dbraw/zinc/38/47/01/569384701.db2.gz JMMFMIMAFABKHM-FQEVSTJZSA-N 0 0 444.560 5.477 50 0 IKAARN O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119751 569384774 /nfs/dbraw/zinc/38/47/74/569384774.db2.gz QIAHTDQQRGBHBE-UHFFFAOYSA-N 0 0 425.510 5.259 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C(=O)c2ccco2)s1 ZINC000096119803 569384779 /nfs/dbraw/zinc/38/47/79/569384779.db2.gz SYOIVEQVOQVZNQ-UHFFFAOYSA-N 0 0 426.881 5.119 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccccc1C(F)(F)F ZINC000096119735 569384807 /nfs/dbraw/zinc/38/48/07/569384807.db2.gz YXVMXYWRHVJMOJ-UHFFFAOYSA-N 0 0 429.423 5.660 50 0 IKAARN COC1CCN(c2ccc(NC(=O)CCc3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000096122388 569385227 /nfs/dbraw/zinc/38/52/27/569385227.db2.gz LQCSHEXDPJUYAD-UHFFFAOYSA-N 0 0 444.575 5.452 50 0 IKAARN COc1ccc(C(=O)c2coc3ccc(OCc4cccc(C(F)(F)F)c4)cc23)cc1 ZINC000096184106 569386017 /nfs/dbraw/zinc/38/60/17/569386017.db2.gz VQMQFWRPJWBUQJ-UHFFFAOYSA-N 0 0 426.390 6.270 50 0 IKAARN COc1ccc(C(=O)c2coc3ccc(OCc4ccc(Br)cc4)cc23)cc1 ZINC000096184102 569386050 /nfs/dbraw/zinc/38/60/50/569386050.db2.gz RPACWMZKEVJHMQ-UHFFFAOYSA-N 0 0 437.289 6.014 50 0 IKAARN COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2Cl)cc1C(F)(F)F ZINC000096203810 569386428 /nfs/dbraw/zinc/38/64/28/569386428.db2.gz YHTRAWKYGGXZNN-HXUWFJFHSA-N 0 0 434.845 5.414 50 0 IKAARN COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2Cl)cc1C(F)(F)F ZINC000096203809 569386445 /nfs/dbraw/zinc/38/64/45/569386445.db2.gz YHTRAWKYGGXZNN-FQEVSTJZSA-N 0 0 434.845 5.414 50 0 IKAARN CC(C)Oc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096221236 569386858 /nfs/dbraw/zinc/38/68/58/569386858.db2.gz FWSBBNGRABZQOL-NRFANRHFSA-N 0 0 442.467 5.394 50 0 biogenic IKAARN COc1ccc2c(C)c(CCC(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)c(=O)oc2c1C ZINC000096221599 569386946 /nfs/dbraw/zinc/38/69/46/569386946.db2.gz BVOGNRVYHQHJAS-QFIPXVFZSA-N 0 0 444.531 5.026 50 0 biogenic IKAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3occ(-c4ccccc4)c3c1)CC2 ZINC000096221981 569387074 /nfs/dbraw/zinc/38/70/74/569387074.db2.gz LPGVIFVUCIGQES-UHFFFAOYSA-N 0 0 443.499 5.081 50 0 biogenic IKAARN COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)cs2)cc1OC ZINC000096223477 569387323 /nfs/dbraw/zinc/38/73/23/569387323.db2.gz MQRABQZGSFDYEE-HXUWFJFHSA-N 0 0 447.560 5.045 50 0 IKAARN CN1c2cccnc2Sc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2C1=O ZINC000096231322 569387604 /nfs/dbraw/zinc/38/76/04/569387604.db2.gz BOLCHSGMBGTNRO-UHFFFAOYSA-N 0 0 430.316 5.382 50 0 IKAARN COCCNC(=O)C[C@H](Cc1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096274248 569388113 /nfs/dbraw/zinc/38/81/13/569388113.db2.gz AZUGVDFMWKNDSO-QHCPKHFHSA-N 0 0 444.550 5.308 50 0 IKAARN CCc1c(C(=O)NCCc2ccc(Cl)cc2Cl)cnc2cc(-c3ccccc3)nn21 ZINC000096274194 569388155 /nfs/dbraw/zinc/38/81/55/569388155.db2.gz RFTKZOOYAJFNCL-UHFFFAOYSA-N 0 0 439.346 5.238 50 0 IKAARN O=C(NCc1ccco1)c1cc2cc(NC(=O)C3CCC3)ccc2n1Cc1ccc(F)cc1 ZINC000096275180 569388221 /nfs/dbraw/zinc/38/82/21/569388221.db2.gz AETQLYXHKUQPIW-UHFFFAOYSA-N 0 0 445.494 5.090 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)N1CCOCC1 ZINC000096275296 569388247 /nfs/dbraw/zinc/38/82/47/569388247.db2.gz YBSQLCLCWIJXMD-XMMPIXPASA-N 0 0 442.534 5.210 50 0 IKAARN Cc1cccc(Cn2c(C(=O)Nc3ccccc3)cc3cc(NC(=O)C4CCC4)ccc32)c1 ZINC000096275246 569388298 /nfs/dbraw/zinc/38/82/98/569388298.db2.gz VGHMSAXLEVENEA-UHFFFAOYSA-N 0 0 437.543 5.989 50 0 IKAARN COc1ccc2[nH]cc([C@H](CCc3ccccc3)CC(=O)NCCc3ccccn3)c2c1 ZINC000096275268 569388329 /nfs/dbraw/zinc/38/83/29/569388329.db2.gz DABRHNIWANCCTK-OAQYLSRUSA-N 0 0 427.548 5.037 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000096275935 569388409 /nfs/dbraw/zinc/38/84/09/569388409.db2.gz KKZCPQSHJGDVFD-QRWLVFNGSA-N 0 0 442.357 5.335 50 0 IKAARN CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3cccs3)ccc21 ZINC000096275732 569388413 /nfs/dbraw/zinc/38/84/13/569388413.db2.gz FFLBKSKVZWDJCL-UHFFFAOYSA-N 0 0 431.561 5.685 50 0 IKAARN CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000096275940 569388439 /nfs/dbraw/zinc/38/84/39/569388439.db2.gz RBFDEUWZFPFUOW-UHFFFAOYSA-N 0 0 443.522 5.763 50 0 IKAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCc3ccccc3)n2Cc2cc(C)ccc2C)c1 ZINC000096276484 569388535 /nfs/dbraw/zinc/38/85/35/569388535.db2.gz IVIPXIJBRTWSRD-UHFFFAOYSA-N 0 0 439.559 5.585 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)NCCc1ccccn1 ZINC000096276382 569388544 /nfs/dbraw/zinc/38/85/44/569388544.db2.gz ZJXMKLLNJRBFMY-HXUWFJFHSA-N 0 0 438.358 5.751 50 0 IKAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCc3ccccc3)n2Cc2cccc(C)c2)c1 ZINC000096276577 569388628 /nfs/dbraw/zinc/38/86/28/569388628.db2.gz KAAIVTHCRWPVOJ-UHFFFAOYSA-N 0 0 425.532 5.277 50 0 IKAARN O=C(Nc1ccc2c(cc(C(=O)N3CCCC3)n2Cc2ccccc2)c1)c1cccc(F)c1 ZINC000096276603 569388661 /nfs/dbraw/zinc/38/86/61/569388661.db2.gz UGRVFQPZIFHREW-UHFFFAOYSA-N 0 0 441.506 5.317 50 0 IKAARN O=C(c1ccccc1)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccco1 ZINC000096277128 569388741 /nfs/dbraw/zinc/38/87/41/569388741.db2.gz WSQJZZLIHBQKED-UHFFFAOYSA-N 0 0 441.409 5.234 50 0 IKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)Nc1ccccc1 ZINC000096277672 569388766 /nfs/dbraw/zinc/38/87/66/569388766.db2.gz AEQYHFIKYSJEEE-MHZLTWQESA-N 0 0 448.541 6.989 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)c1ccc(C(F)(F)F)cc1 ZINC000096277196 569388770 /nfs/dbraw/zinc/38/87/70/569388770.db2.gz DQGPMLBCZMLADT-FQEVSTJZSA-N 0 0 437.421 5.469 50 0 IKAARN C[C@@H](c1ccccc1)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccc(F)c1 ZINC000096277888 569388848 /nfs/dbraw/zinc/38/88/48/569388848.db2.gz KPJAXKOTKUHNPC-KRWDZBQOSA-N 0 0 449.913 5.975 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000096277881 569388853 /nfs/dbraw/zinc/38/88/53/569388853.db2.gz IHSTYKGJRAFWJL-UHFFFAOYSA-N 0 0 446.345 5.100 50 0 IKAARN O=C(COCc1ccccc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278123 569388952 /nfs/dbraw/zinc/38/89/52/569388952.db2.gz ISEZIGVHXBBASR-QFIPXVFZSA-N 0 0 447.922 5.007 50 0 IKAARN CCN1CCN(C(=O)C[C@H](c2c[nH]c3ccc(OC)cc32)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096278141 569388956 /nfs/dbraw/zinc/38/89/56/569388956.db2.gz YLFIJDNTYXAWEX-QHCPKHFHSA-N 0 0 447.623 5.160 50 0 IKAARN CCN1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Cl)c2)CC1 ZINC000096277943 569388973 /nfs/dbraw/zinc/38/89/73/569388973.db2.gz GJVAYGQCCZVDMC-IBGZPJMESA-N 0 0 430.379 5.161 50 0 IKAARN CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000096278010 569388992 /nfs/dbraw/zinc/38/89/92/569388992.db2.gz ZEKOPNHIDMXFEG-SFHVURJKSA-N 0 0 442.357 5.335 50 0 IKAARN CCOc1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096278212 569389007 /nfs/dbraw/zinc/38/90/07/569389007.db2.gz HQUHEGWMRNQOGT-QFIPXVFZSA-N 0 0 432.951 6.058 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096278554 569389082 /nfs/dbraw/zinc/38/90/82/569389082.db2.gz KQRCJETYJJAGBL-QHCPKHFHSA-N 0 0 430.523 5.113 50 0 IKAARN CC(C)CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000096278681 569389086 /nfs/dbraw/zinc/38/90/86/569389086.db2.gz FFWHDPFKDSGVRM-UHFFFAOYSA-N 0 0 431.580 5.495 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2C)cc1C(F)(F)F ZINC000096278941 569389177 /nfs/dbraw/zinc/38/91/77/569389177.db2.gz JWDLJEFLGGLHKO-UHFFFAOYSA-N 0 0 444.840 7.036 50 0 IKAARN C[C@H](c1ccccc1)N(CCc1nc(-c2ccccc2)no1)C(=O)COCc1ccccc1 ZINC000096278715 569389202 /nfs/dbraw/zinc/38/92/02/569389202.db2.gz YRYNVFPGAANWRL-OAQYLSRUSA-N 0 0 441.531 5.086 50 0 IKAARN Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2Cl)c(-c2nc3ncccc3o2)c1 ZINC000096279061 569389236 /nfs/dbraw/zinc/38/92/36/569389236.db2.gz XLCJZOXDYVWGOR-UHFFFAOYSA-N 0 0 435.288 5.273 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3c(cc(C(N)=O)n3Cc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000096278970 569389243 /nfs/dbraw/zinc/38/92/43/569389243.db2.gz OBGDDMJIZIKMPD-UHFFFAOYSA-N 0 0 439.559 5.647 50 0 IKAARN Cc1ccc2oc(-c3cccc(C)c3OS(=O)(=O)c3ccc(Cl)cc3Cl)nc2c1 ZINC000096279114 569389251 /nfs/dbraw/zinc/38/92/51/569389251.db2.gz XIHMZLZEDNZSEK-UHFFFAOYSA-N 0 0 448.327 6.186 50 0 IKAARN Cc1cc(C)c(-c2nc3cc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)ccc3o2)c(C)c1 ZINC000096279332 569389309 /nfs/dbraw/zinc/38/93/09/569389309.db2.gz MRWNJOMWEGVAOW-UHFFFAOYSA-N 0 0 438.449 7.000 50 0 IKAARN Cc1cccc2oc(-c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3Cl)nc21 ZINC000096279307 569389372 /nfs/dbraw/zinc/38/93/72/569389372.db2.gz MPHBTPRHGGVWQW-UHFFFAOYSA-N 0 0 434.300 5.878 50 0 IKAARN O=C(NCc1ccccc1)c1cc2sc(Br)cc2n1Cc1cccc(F)c1 ZINC000096280367 569389529 /nfs/dbraw/zinc/38/95/29/569389529.db2.gz WPGDAWXRJJOGSI-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c1)c1cccs1 ZINC000096280452 569389534 /nfs/dbraw/zinc/38/95/34/569389534.db2.gz QHHWGDZRKFQYED-UHFFFAOYSA-N 0 0 425.941 5.486 50 0 IKAARN COc1cccc(Cn2c(C(=O)Nc3ccccc3)cc3scc(Br)c32)c1 ZINC000096280430 569389547 /nfs/dbraw/zinc/38/95/47/569389547.db2.gz BWFVRNKRDHYFRL-UHFFFAOYSA-N 0 0 441.350 5.775 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4F)c(OC)c3)no2)cc1OC ZINC000096280725 569389663 /nfs/dbraw/zinc/38/96/63/569389663.db2.gz ZMJHJFQTGBYCBT-UHFFFAOYSA-N 0 0 436.439 5.148 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)Nc4cccc(OC)c4)cs3)cc2)c1 ZINC000096281507 569389922 /nfs/dbraw/zinc/38/99/22/569389922.db2.gz ZEDJQXGOTKWZJP-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN CCc1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000096281746 569390017 /nfs/dbraw/zinc/39/00/17/569390017.db2.gz BOXVRURNUUAMHA-LEWJYISDSA-N 0 0 436.939 5.380 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)c1 ZINC000096281729 569390027 /nfs/dbraw/zinc/39/00/27/569390027.db2.gz KEGMLLRLIUMOMH-UHFFFAOYSA-N 0 0 428.536 5.780 50 0 IKAARN CCc1ccc([C@H]2C[C@H](C(=O)Nc3cccc(Cl)c3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000096281744 569390054 /nfs/dbraw/zinc/39/00/54/569390054.db2.gz BOXVRURNUUAMHA-SFTDATJTSA-N 0 0 436.939 5.380 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(N3CCCN([C@@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000096281727 569390065 /nfs/dbraw/zinc/39/00/65/569390065.db2.gz CZTFVXGOMNVMSM-FQEVSTJZSA-N 0 0 428.536 6.032 50 0 IKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)COc3ccc(Cl)cc3)n2c1 ZINC000096281990 569390175 /nfs/dbraw/zinc/39/01/75/569390175.db2.gz JQLJSYZJBNVYHK-UHFFFAOYSA-N 0 0 426.303 5.634 50 0 IKAARN Cc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2cccc(F)c2)CC3)cc1 ZINC000096281850 569390235 /nfs/dbraw/zinc/39/02/35/569390235.db2.gz JFKUZENABCABNX-UHFFFAOYSA-N 0 0 446.570 5.511 50 0 IKAARN CCCCN1c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N=C1C1CCCC1 ZINC000096288423 569390422 /nfs/dbraw/zinc/39/04/22/569390422.db2.gz KUOLMDSGHRBDIO-UHFFFAOYSA-N 0 0 439.581 5.145 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096288233 569390436 /nfs/dbraw/zinc/39/04/36/569390436.db2.gz YVRDOUQHYJLZLJ-ORAYPTAESA-N 0 0 435.421 5.341 50 0 IKAARN CCC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000096288262 569390462 /nfs/dbraw/zinc/39/04/62/569390462.db2.gz YHVXQSRPXVMDHR-UHFFFAOYSA-N 0 0 438.575 5.031 50 0 IKAARN C[C@]1(CNC(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CCCO1 ZINC000096289090 569390536 /nfs/dbraw/zinc/39/05/36/569390536.db2.gz UOYCGEOCBXQOKQ-WZONZLPQSA-N 0 0 431.363 5.682 50 0 IKAARN Cc1ccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)NCC(C)C)cc1 ZINC000096289082 569390565 /nfs/dbraw/zinc/39/05/65/569390565.db2.gz NPRGOZVBOBMKDH-UHFFFAOYSA-N 0 0 425.576 5.990 50 0 IKAARN CC[C@H](C)NC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000096289027 569390569 /nfs/dbraw/zinc/39/05/69/569390569.db2.gz GCOLKFLMZSJKKN-SFHVURJKSA-N 0 0 431.967 6.169 50 0 IKAARN CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)N[C@H](C)CC)n3c2)c1 ZINC000096289168 569390651 /nfs/dbraw/zinc/39/06/51/569390651.db2.gz CMHNKHVQBFAZPY-HXUWFJFHSA-N 0 0 441.575 5.914 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)NC(C)C)Cc2ccco2)n1 ZINC000096290182 569390812 /nfs/dbraw/zinc/39/08/12/569390812.db2.gz GYNSUJYQFIYXNW-UHFFFAOYSA-N 0 0 435.355 5.013 50 0 IKAARN O=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096290662 569391014 /nfs/dbraw/zinc/39/10/14/569391014.db2.gz GUCGTSYFFKZPGT-NRFANRHFSA-N 0 0 435.886 5.172 50 0 IKAARN C[C@H](C(=O)NC(C)(C)C)n1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291038 569391044 /nfs/dbraw/zinc/39/10/44/569391044.db2.gz XNTMJVSKKYJXPH-GFCCVEGCSA-N 0 0 438.786 6.063 50 0 IKAARN CC(C)CNC(=O)[C@H](C)n1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291118 569391084 /nfs/dbraw/zinc/39/10/84/569391084.db2.gz YHORIZIKUUPNGI-ZDUSSCGKSA-N 0 0 438.786 5.921 50 0 IKAARN CC(C)CNC(=O)CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291054 569391089 /nfs/dbraw/zinc/39/10/89/569391089.db2.gz FZLDGKGYVOCHAF-UHFFFAOYSA-N 0 0 438.786 5.750 50 0 IKAARN CCc1nc(NCCNC(=O)c2ccc(C(C)(C)C)cc2)c2cc(Cl)cc(Cl)c2n1 ZINC000096291335 569391123 /nfs/dbraw/zinc/39/11/23/569391123.db2.gz GISZZCIFHLAYHT-UHFFFAOYSA-N 0 0 445.394 5.638 50 0 IKAARN Cc1ccccc1-n1c(SCc2cccc(C(=O)NC3CC3)c2)nnc1-c1cccs1 ZINC000096291251 569391158 /nfs/dbraw/zinc/39/11/58/569391158.db2.gz QNVBWCVPECQGEC-UHFFFAOYSA-N 0 0 446.601 5.489 50 0 IKAARN CC[C@H](C)NC(=O)CCc1c(-c2ccc(OC)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096292037 569391218 /nfs/dbraw/zinc/39/12/18/569391218.db2.gz JQUMWKBAANLJAW-IBGZPJMESA-N 0 0 427.548 5.524 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096292000 569391253 /nfs/dbraw/zinc/39/12/53/569391253.db2.gz BLOALNDCFMRGLC-YWZLYKJASA-N 0 0 447.457 5.176 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1 ZINC000096292562 569391337 /nfs/dbraw/zinc/39/13/37/569391337.db2.gz KUJVNGLILPILPZ-MRXNPFEDSA-N 0 0 436.861 5.221 50 0 IKAARN C[C@]1(CNC(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)nc2)CCCO1 ZINC000096293369 569391515 /nfs/dbraw/zinc/39/15/15/569391515.db2.gz GDEOIDPYGNXNJP-OPAMFIHVSA-N 0 0 432.351 5.077 50 0 IKAARN CCCC1=NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N1c1ccccc1 ZINC000096293401 569391592 /nfs/dbraw/zinc/39/15/92/569391592.db2.gz OSCPSJWMLPDVDG-UHFFFAOYSA-N 0 0 425.535 5.039 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096293547 569391628 /nfs/dbraw/zinc/39/16/28/569391628.db2.gz SBVSLHDLYJTQAZ-QVKFZJNVSA-N 0 0 427.932 5.119 50 0 IKAARN Cc1ccccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)Nc3cccc(F)c3)n2c1 ZINC000096294475 569391796 /nfs/dbraw/zinc/39/17/96/569391796.db2.gz XPNCUTNQBGCJJC-UHFFFAOYSA-N 0 0 449.529 6.687 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1C ZINC000096305693 569392161 /nfs/dbraw/zinc/39/21/61/569392161.db2.gz ZMRICAQRIDRLTK-UHFFFAOYSA-N 0 0 438.332 5.874 50 0 IKAARN COC(=O)c1sc2[nH]c(C(Cl)=Cc3cc(-c4cccs4)cs3)nc(=O)c2c1C ZINC000096305619 569392167 /nfs/dbraw/zinc/39/21/67/569392167.db2.gz OHDMMCIPQFVRHB-KPKJPENVSA-N 0 0 448.978 6.019 50 0 IKAARN CC[C@H](NC(=O)C=Cc1cc(Cl)c(OC)c(OC)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000096310865 569392559 /nfs/dbraw/zinc/39/25/59/569392559.db2.gz OUBZWBDGDWXLAW-LENZSSGSSA-N 0 0 425.916 5.028 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C\c2nc(-c3ccccc3)cs2)s1 ZINC000096316174 569392713 /nfs/dbraw/zinc/39/27/13/569392713.db2.gz OOOVZFAAJNUZAC-XNTDXEJSSA-N 0 0 442.928 5.790 50 0 IKAARN CC[C@@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000096316956 569393057 /nfs/dbraw/zinc/39/30/57/569393057.db2.gz KKBAZIAEIHJTHQ-LJQANCHMSA-N 0 0 446.595 5.062 50 0 IKAARN CC[C@@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000096317466 569393434 /nfs/dbraw/zinc/39/34/34/569393434.db2.gz OKUCZXJAZWZPKG-LJQANCHMSA-N 0 0 448.636 5.222 50 0 IKAARN CC[C@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000096317467 569393458 /nfs/dbraw/zinc/39/34/58/569393458.db2.gz OKUCZXJAZWZPKG-IBGZPJMESA-N 0 0 448.636 5.222 50 0 IKAARN Cc1nc(C(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(Cl)cc1Cl ZINC000096317765 569393587 /nfs/dbraw/zinc/39/35/87/569393587.db2.gz KLTYIELIPIBEQX-UHFFFAOYSA-N 0 0 449.426 5.111 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1cncc(Br)c1 ZINC000096318420 569393882 /nfs/dbraw/zinc/39/38/82/569393882.db2.gz UZAZDAZISMGUDO-UHFFFAOYSA-N 0 0 437.272 5.088 50 0 IKAARN CCOc1ccccc1CNC(=O)C[C@@H]1COc2cc(F)ccc2N1Cc1ccc(C)cc1 ZINC000096323105 569394993 /nfs/dbraw/zinc/39/49/93/569394993.db2.gz AYLVBZOLPRASQV-HSZRJFAPSA-N 0 0 448.538 5.007 50 0 IKAARN O=C(C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000096323061 569395044 /nfs/dbraw/zinc/39/50/44/569395044.db2.gz VREOKHIHGDUCIJ-SFHVURJKSA-N 0 0 449.963 5.746 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)cc1 ZINC000096322905 569395052 /nfs/dbraw/zinc/39/50/52/569395052.db2.gz FWPBYEVFAOKHRS-UHFFFAOYSA-N 0 0 439.562 5.161 50 0 IKAARN O=C(c1cc2occc2c(Nc2ccc(F)cc2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000096323668 569395351 /nfs/dbraw/zinc/39/53/51/569395351.db2.gz OBRCFQWMUWGZER-UHFFFAOYSA-N 0 0 429.495 5.805 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc4occc4c(Nc4ccc(F)cc4)n3)C[C@H]2C)c1 ZINC000096323662 569395367 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COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)Nc1ccc(F)cc1 ZINC000096399035 569399803 /nfs/dbraw/zinc/39/98/03/569399803.db2.gz QOXFTMFPTLXMAG-UHFFFAOYSA-N 0 0 437.540 5.726 50 0 IKAARN CCn1c(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)n[nH]2)cc2ccc(OC)cc21 ZINC000096398665 569399831 /nfs/dbraw/zinc/39/98/31/569399831.db2.gz UBONLSBXXBPFMC-UHFFFAOYSA-N 0 0 444.413 5.211 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3cccc(OC)c3)CC2)N=C1c1ccccc1 ZINC000096399226 569399895 /nfs/dbraw/zinc/39/98/95/569399895.db2.gz FRYGJYULHVSMJS-UHFFFAOYSA-N 0 0 436.581 5.064 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)NCc2c3ccccc3n(C)c2-c2cccs2)cc1 ZINC000096399098 569399908 /nfs/dbraw/zinc/39/99/08/569399908.db2.gz QAJQQIZGQGQWFI-UHFFFAOYSA-N 0 0 433.533 5.405 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000096399274 569399935 /nfs/dbraw/zinc/39/99/35/569399935.db2.gz UNLXLRGETMISKY-UHFFFAOYSA-N 0 0 434.609 5.590 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000096399240 569399938 /nfs/dbraw/zinc/39/99/38/569399938.db2.gz RUNKVPVQXYXGOQ-UHFFFAOYSA-N 0 0 448.636 5.899 50 0 IKAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)Nc1cccc(F)c1 ZINC000096399184 569399947 /nfs/dbraw/zinc/39/99/47/569399947.db2.gz BXNVEFGTYRNOAL-UHFFFAOYSA-N 0 0 437.540 5.726 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)NCc2c3ccccc3n(C)c2-c2cccs2)c1 ZINC000096399094 569399948 /nfs/dbraw/zinc/39/99/48/569399948.db2.gz DSAKQPSLMXQZDP-UHFFFAOYSA-N 0 0 433.533 5.405 50 0 IKAARN CC(C)Sc1nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2s1 ZINC000096399605 569400218 /nfs/dbraw/zinc/40/02/18/569400218.db2.gz SJCSKLQSYKKWNB-UHFFFAOYSA-N 0 0 443.413 5.360 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(SCC(C)C)sc3c2)cc1Cl ZINC000096399620 569400242 /nfs/dbraw/zinc/40/02/42/569400242.db2.gz NZASZLWDYWHENI-UHFFFAOYSA-N 0 0 443.015 5.507 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3cc4c(cccc4OC)n3CC)[nH]n2)cc1OCC ZINC000096400307 569400349 /nfs/dbraw/zinc/40/03/49/569400349.db2.gz RGHABMNALDWGPQ-UHFFFAOYSA-N 0 0 448.523 5.110 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1 ZINC000021811588 569400924 /nfs/dbraw/zinc/40/09/24/569400924.db2.gz VGGAQAIKQNGQQI-ZRKIMJNXSA-N 0 0 447.579 5.211 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)Cc3cccc4ccccc43)c2)cc1 ZINC000096562153 569401009 /nfs/dbraw/zinc/40/10/09/569401009.db2.gz AFFSNPAESJMKGW-UHFFFAOYSA-N 0 0 444.918 5.935 50 0 IKAARN Nc1c(C(=O)c2cccs2)sc2c1[C@@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000096562285 569401016 /nfs/dbraw/zinc/40/10/16/569401016.db2.gz ZWPYGCSQGPZWIC-LLVKDONJSA-N 0 0 433.352 5.342 50 0 IKAARN CCCCc1ccc(OC(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000096562199 569401037 /nfs/dbraw/zinc/40/10/37/569401037.db2.gz OGWFEMMDNIRUPF-UHFFFAOYSA-N 0 0 427.136 6.165 50 0 IKAARN CC(=O)c1c(C)nc2sc(C(=O)Nc3ccccc3)c(N)c2c1-c1ccc(Cl)cc1 ZINC000096562477 569401162 /nfs/dbraw/zinc/40/11/62/569401162.db2.gz PLWTWWRBSCBXPT-UHFFFAOYSA-N 0 0 435.936 5.962 50 0 IKAARN COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1OC ZINC000096562339 569401169 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6.467 50 0 IKAARN Cc1cccc(NC(=O)C2(NC(=O)COc3ccc(Cl)cc3Cl)CCCCC2)c1 ZINC000096580306 569401660 /nfs/dbraw/zinc/40/16/60/569401660.db2.gz QQIBKZAPIXCVBY-UHFFFAOYSA-N 0 0 435.351 5.138 50 0 IKAARN O=C(c1c(-c2ccccc2)oc2c1c(Cl)c(Cl)c(Cl)c2Cl)c1ccccc1 ZINC000096581091 569401689 /nfs/dbraw/zinc/40/16/89/569401689.db2.gz VQXGOWVGWQPKTH-UHFFFAOYSA-N 0 0 436.121 7.944 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c(Cl)c1 ZINC000096581015 569401701 /nfs/dbraw/zinc/40/17/01/569401701.db2.gz SNZZTJCWFJGBRL-RUZDIDTESA-N 0 0 433.334 7.393 50 0 IKAARN COc1c(Br)cc(/C=C\c2ccc3cccc(O)c3n2)cc1Br ZINC000096586012 569401761 /nfs/dbraw/zinc/40/17/61/569401761.db2.gz QLNTUIJDNFHSCB-ALCCZGGFSA-N 0 0 435.115 5.644 50 0 IKAARN CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000096592378 569401948 /nfs/dbraw/zinc/40/19/48/569401948.db2.gz JLAXNZYKTBJPDU-RMTZWNOUSA-N 0 0 433.573 5.467 50 0 IKAARN CCOP(=O)(OCC)/C(=C\Sc1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000096593933 569402031 /nfs/dbraw/zinc/40/20/31/569402031.db2.gz WJNVCKLEVCQDFF-JXAWBTAJSA-N 0 0 425.874 5.927 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000096593623 569402053 /nfs/dbraw/zinc/40/20/53/569402053.db2.gz ZVACHOGGXGSWIK-RQPMMQJISA-N 0 0 446.012 6.381 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000334162900 569402219 /nfs/dbraw/zinc/40/22/19/569402219.db2.gz GUSJXNWSHHRSEM-GDLZYMKVSA-N 0 0 428.535 7.202 50 0 IKAARN Cc1nc(COc2cccc(/C=C\C(=O)Nc3ccccc3OC(F)(F)F)c2)cs1 ZINC000096936866 569402641 /nfs/dbraw/zinc/40/26/41/569402641.db2.gz RQCAQOMJAFZGSI-KTKRTIGZSA-N 0 0 434.439 5.581 50 0 IKAARN CCCCn1c(SCc2nc(-c3ccc(SC)cc3)no2)nc2ccccc2c1=O ZINC000225533975 569403733 /nfs/dbraw/zinc/40/37/33/569403733.db2.gz XSIIJENJXHZZSX-UHFFFAOYSA-N 0 0 438.578 5.261 50 0 IKAARN Cc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccccc3)n2)c1 ZINC000225534796 569403748 /nfs/dbraw/zinc/40/37/48/569403748.db2.gz MROWJOZDUHYLLP-UHFFFAOYSA-N 0 0 440.528 5.096 50 0 IKAARN CC[C@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002461115 569403807 /nfs/dbraw/zinc/40/38/07/569403807.db2.gz FOYDXMHLSAWSDS-NSHDSACASA-N 0 0 442.356 5.421 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1c[nH]c2ccccc21 ZINC000002469297 569403917 /nfs/dbraw/zinc/40/39/17/569403917.db2.gz GXRDWIOWJWWBCN-GOTSBHOMSA-N 0 0 447.897 5.510 50 0 IKAARN Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 ZINC000225542845 569404051 /nfs/dbraw/zinc/40/40/51/569404051.db2.gz IOSBIXIMGZGQFX-UHFFFAOYSA-N 0 0 437.568 6.041 50 0 IKAARN CCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCc1ccc(F)cc1Cl ZINC000225545862 569404063 /nfs/dbraw/zinc/40/40/63/569404063.db2.gz FFBONJIELRTUEC-UHFFFAOYSA-N 0 0 427.932 5.886 50 0 IKAARN CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccccc1Cl)C2 ZINC000055393832 569404241 /nfs/dbraw/zinc/40/42/41/569404241.db2.gz HQZQEEUCHDAONL-UHFFFAOYSA-N 0 0 431.919 6.028 50 0 IKAARN COc1ccc(CN2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1OC ZINC000055396238 569404262 /nfs/dbraw/zinc/40/42/62/569404262.db2.gz RVLDPCNHOIJISE-UHFFFAOYSA-N 0 0 443.499 5.138 50 0 biogenic IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002482312 569404957 /nfs/dbraw/zinc/40/49/57/569404957.db2.gz FARZLQXTAVTGOA-CQSZACIVSA-N 0 0 434.361 5.166 50 0 IKAARN COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCCc1ccccc1 ZINC000027987538 569405361 /nfs/dbraw/zinc/40/53/61/569405361.db2.gz MYIXSMAQLLNOOW-UHFFFAOYSA-N 0 0 428.469 5.405 50 0 IKAARN COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)c(C)c1)c1ccccc21 ZINC000002497186 569405665 /nfs/dbraw/zinc/40/56/65/569405665.db2.gz HCLFLNVLKMYQCJ-UHFFFAOYSA-N 0 0 443.908 5.444 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2cc3nc(-c4ccccc4)oc3nc2C)c1 ZINC000225625996 569405984 /nfs/dbraw/zinc/40/59/84/569405984.db2.gz PULONAHCPSREBC-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN COc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1OCc1ccccc1 ZINC000225655556 569406442 /nfs/dbraw/zinc/40/64/42/569406442.db2.gz JKKFGLLXOLKERU-UHFFFAOYSA-N 0 0 442.515 5.178 50 0 IKAARN CCn1c2cc(NC(=O)c3ccc(OC)cc3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000028049257 569406653 /nfs/dbraw/zinc/40/66/53/569406653.db2.gz OSAMLXLYMKDJFY-UHFFFAOYSA-N 0 0 447.560 5.255 50 0 IKAARN O=C(CCSCCSCCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002510370 569406932 /nfs/dbraw/zinc/40/69/32/569406932.db2.gz AZZZRRQHGYQTAF-UHFFFAOYSA-N 0 0 427.418 6.306 50 0 IKAARN Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000002524174 569407419 /nfs/dbraw/zinc/40/74/19/569407419.db2.gz YCJFFRWTHPOYJB-UHFFFAOYSA-N 0 0 425.916 5.931 50 0 IKAARN O=C(c1cc(Br)ccc1Cl)N1CCS[C@H](c2ccccc2F)CC1 ZINC000225740646 569407997 /nfs/dbraw/zinc/40/79/97/569407997.db2.gz QOTVDGSCLHRWBD-KRWDZBQOSA-N 0 0 428.754 5.562 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002543360 569408942 /nfs/dbraw/zinc/40/89/42/569408942.db2.gz IZLYDYGHFFYAND-UHFFFAOYSA-N 0 0 449.643 6.881 50 0 IKAARN COc1ccc([C@@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1Br ZINC000028232313 569409293 /nfs/dbraw/zinc/40/92/93/569409293.db2.gz HWBVDJBRLDFTAH-INIZCTEOSA-N 0 0 427.751 5.391 50 0 IKAARN COc1ccc([C@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1Br ZINC000028232317 569409317 /nfs/dbraw/zinc/40/93/17/569409317.db2.gz HWBVDJBRLDFTAH-MRXNPFEDSA-N 0 0 427.751 5.391 50 0 IKAARN CCCCNC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000028232554 569409345 /nfs/dbraw/zinc/40/93/45/569409345.db2.gz VRISOOWIENAMOI-UHFFFAOYSA-N 0 0 436.400 5.129 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000002562205 569409565 /nfs/dbraw/zinc/40/95/65/569409565.db2.gz DCCXNDFCGRZCCC-UHFFFAOYSA-N 0 0 436.870 6.274 50 0 IKAARN CCOc1cc(/C=C/C(=O)c2ccc(I)cc2)ccc1OC(F)F ZINC000028296433 569409624 /nfs/dbraw/zinc/40/96/24/569409624.db2.gz IGEPEPOGHKGDNS-YCRREMRBSA-N 0 0 444.215 5.187 50 0 IKAARN O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(Br)cc1 ZINC000002570996 569409779 /nfs/dbraw/zinc/40/97/79/569409779.db2.gz FYMNIICNPOPIAK-UHFFFAOYSA-N 0 0 431.398 5.086 50 0 IKAARN O=Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccc(OCc3ccccc3)cc12 ZINC000002567123 569409806 /nfs/dbraw/zinc/40/98/06/569409806.db2.gz RHEASJFASGFLNY-UHFFFAOYSA-N 0 0 430.813 6.089 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002577638 569409892 /nfs/dbraw/zinc/40/98/92/569409892.db2.gz BCKABNWUEAOEJT-UHFFFAOYSA-N 0 0 448.750 6.593 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c(C)c1 ZINC000002594265 569410008 /nfs/dbraw/zinc/41/00/08/569410008.db2.gz UBGSBIGFVBFJDI-UHFFFAOYSA-N 0 0 431.586 6.015 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc(OC)c(Br)c2)cc1 ZINC000028499991 569410017 /nfs/dbraw/zinc/41/00/17/569410017.db2.gz ZZSQDGODVQKPLZ-OAQYLSRUSA-N 0 0 446.385 5.543 50 0 IKAARN O=C(CSc1ccccn1)Nc1ccc(SCc2ccc(Cl)cc2Cl)cc1 ZINC000002582790 569410057 /nfs/dbraw/zinc/41/00/57/569410057.db2.gz IZWJGRQRJZACEN-UHFFFAOYSA-N 0 0 435.401 6.412 50 0 IKAARN Cc1ccc(SCCSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000002616034 569410146 /nfs/dbraw/zinc/41/01/46/569410146.db2.gz IWNNFVOOYORACE-UHFFFAOYSA-N 0 0 431.630 6.744 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 ZINC000002617116 569410263 /nfs/dbraw/zinc/41/02/63/569410263.db2.gz ZIMBMXNAOZHFMO-LJQANCHMSA-N 0 0 429.516 5.535 50 0 IKAARN CC(C)N(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000002617127 569410271 /nfs/dbraw/zinc/41/02/71/569410271.db2.gz MHFHVYKBRFVYFG-UHFFFAOYSA-N 0 0 437.923 5.517 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002616970 569410281 /nfs/dbraw/zinc/41/02/81/569410281.db2.gz DRKMZBHMCNWXEF-UHFFFAOYSA-N 0 0 438.314 6.595 50 0 IKAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(c1ccccc1)c1ccccc1 ZINC000002617209 569410346 /nfs/dbraw/zinc/41/03/46/569410346.db2.gz QCXKYJAPQKPROM-UHFFFAOYSA-N 0 0 443.359 5.034 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000002617423 569410351 /nfs/dbraw/zinc/41/03/51/569410351.db2.gz WHNLJCVAEQCLLL-MRXNPFEDSA-N 0 0 442.610 5.040 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000002618557 569410450 /nfs/dbraw/zinc/41/04/50/569410450.db2.gz AUZUSSYMRAZWJN-UHFFFAOYSA-N 0 0 444.560 5.531 50 0 IKAARN Fc1ccc(-c2cn3nc(COc4ccc(Br)cc4)n4c3c2CCCC4)cc1 ZINC000002619164 569410563 /nfs/dbraw/zinc/41/05/63/569410563.db2.gz QMZAAWYLQMCUKT-UHFFFAOYSA-N 0 0 440.316 5.620 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nc2ccccc2s1 ZINC000002619191 569410582 /nfs/dbraw/zinc/41/05/82/569410582.db2.gz GZYCUHXOOJIQSO-LJQANCHMSA-N 0 0 435.936 5.450 50 0 IKAARN CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1cccs1 ZINC000002619392 569410693 /nfs/dbraw/zinc/41/06/93/569410693.db2.gz XXBNBCKLAWCABB-UHFFFAOYSA-N 0 0 448.617 5.348 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1CCc1ccc(F)cc1 ZINC000002621504 569411035 /nfs/dbraw/zinc/41/10/35/569411035.db2.gz PJTXZRBTPFMZRR-UHFFFAOYSA-N 0 0 441.553 5.573 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccccc1-c1ccccc1 ZINC000002620505 569411091 /nfs/dbraw/zinc/41/10/91/569411091.db2.gz KDEJOCZPVIMIOB-UHFFFAOYSA-N 0 0 444.535 5.817 50 0 IKAARN CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4cccc5ncccc54)c(N)c3cc2C1 ZINC000215674350 569411251 /nfs/dbraw/zinc/41/12/51/569411251.db2.gz OKLHJXLNDNNSBL-INIZCTEOSA-N 0 0 444.604 6.220 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)NCCc1ccc(F)cc1 ZINC000002622929 569411320 /nfs/dbraw/zinc/41/13/20/569411320.db2.gz MSDYTIUVVYICGT-UHFFFAOYSA-N 0 0 435.499 5.026 50 0 IKAARN Cc1ccc(C(=O)[C@H](Sc2nnc(Cc3ccccc3F)n2N)c2ccc(C)cc2)cc1 ZINC000002623386 569411368 /nfs/dbraw/zinc/41/13/68/569411368.db2.gz DKHHBYSFJPCHGL-XMMPIXPASA-N 0 0 446.551 5.055 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(-c4nnc(-c5ccc(Cl)cc5)o4)sc3n2)c1 ZINC000215678747 569411439 /nfs/dbraw/zinc/41/14/39/569411439.db2.gz CZUXEKLSVBFMGP-UHFFFAOYSA-N 0 0 434.908 5.925 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000002624367 569411544 /nfs/dbraw/zinc/41/15/44/569411544.db2.gz UVCOALFIEDNCHY-GOSISDBHSA-N 0 0 436.581 5.074 50 0 IKAARN COc1ccc(Cl)cc1-c1nc(SCCOc2ccc(Br)cc2)n[nH]1 ZINC000002625347 569411684 /nfs/dbraw/zinc/41/16/84/569411684.db2.gz FAENIFKIDRUFAX-UHFFFAOYSA-N 0 0 440.750 5.067 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000002626267 569411780 /nfs/dbraw/zinc/41/17/80/569411780.db2.gz SDANUNCACSLLQP-UHFFFAOYSA-N 0 0 441.531 5.003 50 0 IKAARN CCCc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4Br)o3)ccc12 ZINC000002628930 569411982 /nfs/dbraw/zinc/41/19/82/569411982.db2.gz QQGUTLXGSZSEPD-UHFFFAOYSA-N 0 0 441.281 5.137 50 0 IKAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)N[C@@H]1CCCc2ccccc21 ZINC000002629324 569412026 /nfs/dbraw/zinc/41/20/26/569412026.db2.gz GWSQKZSRUNISRE-QGZVFWFLSA-N 0 0 431.583 5.088 50 0 IKAARN C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc(Br)cc1 ZINC000002629186 569412028 /nfs/dbraw/zinc/41/20/28/569412028.db2.gz HHOHCJKFVLCHQE-LBPRGKRZSA-N 0 0 434.384 5.276 50 0 IKAARN O=C(COC(=O)c1ccccc1CCc1ccccc1)c1ccc(Br)s1 ZINC000002629916 569412129 /nfs/dbraw/zinc/41/21/29/569412129.db2.gz NAGNNMHIJPSSGM-UHFFFAOYSA-N 0 0 429.335 5.336 50 0 IKAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)c1C ZINC000002630585 569412284 /nfs/dbraw/zinc/41/22/84/569412284.db2.gz URQUOALWHPZNTF-KRWDZBQOSA-N 0 0 446.503 5.160 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1cc2ccccc2o1 ZINC000002632957 569412535 /nfs/dbraw/zinc/41/25/35/569412535.db2.gz GECGBVWESWCYAY-UHFFFAOYSA-N 0 0 435.524 6.311 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cccnc3Cl)n2-c2ccccc2)c1 ZINC000002636841 569413185 /nfs/dbraw/zinc/41/31/85/569413185.db2.gz PMRLYAGPFPSGNY-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1cccc(F)c1)NC(=O)c1ccccc1 ZINC000215703196 569413198 /nfs/dbraw/zinc/41/31/98/569413198.db2.gz CTEOFKXHEGHHMZ-ZHZULCJRSA-N 0 0 444.384 5.134 50 0 IKAARN CCCOc1ccc2cc(-c3csc(NC(=O)Cc4ccccc4F)n3)c(=O)oc2c1 ZINC000002639416 569413372 /nfs/dbraw/zinc/41/33/72/569413372.db2.gz SFFKKYFAVLJEEU-UHFFFAOYSA-N 0 0 438.480 5.026 50 0 IKAARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 ZINC000002640165 569413477 /nfs/dbraw/zinc/41/34/77/569413477.db2.gz KOPQJVDHRFEWCO-JOCHJYFZSA-N 0 0 445.935 5.513 50 0 IKAARN O=C(c1c[nH]c2ccccc21)[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 ZINC000002640164 569413541 /nfs/dbraw/zinc/41/35/41/569413541.db2.gz KOPQJVDHRFEWCO-QFIPXVFZSA-N 0 0 445.935 5.513 50 0 IKAARN CCN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1cccc2ccccc21 ZINC000002642619 569413793 /nfs/dbraw/zinc/41/37/93/569413793.db2.gz TYIIEDJOFFIRIS-UHFFFAOYSA-N 0 0 428.561 5.443 50 0 IKAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000002646235 569414250 /nfs/dbraw/zinc/41/42/50/569414250.db2.gz PLGSUDZFBLROFL-UHFFFAOYSA-N 0 0 432.863 5.286 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1nc(Cl)ccc1Cl ZINC000002646497 569414321 /nfs/dbraw/zinc/41/43/21/569414321.db2.gz LYEKRJJKRCVJLA-UHFFFAOYSA-N 0 0 426.328 6.431 50 0 IKAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000002648150 569414410 /nfs/dbraw/zinc/41/44/10/569414410.db2.gz BCOZVFMXIWZYSR-UHFFFAOYSA-N 0 0 448.235 5.397 50 0 IKAARN CCOc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccnc2)cc1 ZINC000002647694 569414429 /nfs/dbraw/zinc/41/44/29/569414429.db2.gz JEQDVJBSMKDUCP-UHFFFAOYSA-N 0 0 445.573 5.630 50 0 IKAARN O=C(NC(=S)Nc1ccccc1Br)c1sc2cc(F)ccc2c1Cl ZINC000002649079 569414498 /nfs/dbraw/zinc/41/44/98/569414498.db2.gz NWZDLISEVHBGOG-UHFFFAOYSA-N 0 0 443.750 5.583 50 0 IKAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCc1c[nH]c2ccccc12 ZINC000002649661 569414567 /nfs/dbraw/zinc/41/45/67/569414567.db2.gz DQQFOQOGTLIFGU-FQEVSTJZSA-N 0 0 437.893 5.636 50 0 IKAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000215735487 569414659 /nfs/dbraw/zinc/41/46/59/569414659.db2.gz VFLQXDQHBROVCU-UHFFFAOYSA-N 0 0 429.423 5.696 50 0 IKAARN O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1c(F)cccc1Cl ZINC000215739934 569414667 /nfs/dbraw/zinc/41/46/67/569414667.db2.gz ILPXFOPBVQNJOX-NTCAYCPXSA-N 0 0 430.266 5.188 50 0 IKAARN Cc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2[C@@H]2CCCC[C@H]2C)no1 ZINC000002650314 569414765 /nfs/dbraw/zinc/41/47/65/569414765.db2.gz BPHYUULDZLXTFA-CRAIPNDOSA-N 0 0 425.558 5.032 50 0 IKAARN O=C(OC1c2ccccc2-c2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000002651867 569414851 /nfs/dbraw/zinc/41/48/51/569414851.db2.gz CJKMTCVKJXCQBU-UHFFFAOYSA-N 0 0 444.490 5.372 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 ZINC000002652402 569414982 /nfs/dbraw/zinc/41/49/82/569414982.db2.gz IUIANYRDHWOPOY-UHFFFAOYSA-N 0 0 433.529 6.136 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1 ZINC000002654523 569415214 /nfs/dbraw/zinc/41/52/14/569415214.db2.gz OMNPGXLCWXGPRN-FQEVSTJZSA-N 0 0 448.950 5.932 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)[C@H]3COc4ccccc4O3)sc2-c2ccc(C)cc2)cc1 ZINC000002654420 569415234 /nfs/dbraw/zinc/41/52/34/569415234.db2.gz OFYRWVUBAKHCOL-JOCHJYFZSA-N 0 0 442.540 5.872 50 0 IKAARN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)Nc3ccccc3OC)sc2c1 ZINC000002654182 569415306 /nfs/dbraw/zinc/41/53/06/569415306.db2.gz GAHQRJHANACLAM-UHFFFAOYSA-N 0 0 433.533 5.942 50 0 IKAARN CCN(C(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000002655458 569415367 /nfs/dbraw/zinc/41/53/67/569415367.db2.gz MKDPNPBGQUNOER-UHFFFAOYSA-N 0 0 439.964 5.842 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000002657156 569415486 /nfs/dbraw/zinc/41/54/86/569415486.db2.gz OJFPRHBIYXNOQW-OAHLLOKOSA-N 0 0 437.927 6.090 50 0 IKAARN CCCCn1c(SCC(=O)c2c[nH]c3c2cccc3CC)nnc1-c1ccc(OC)cc1 ZINC000002656665 569415525 /nfs/dbraw/zinc/41/55/25/569415525.db2.gz QFXIDCNDNZDGHY-UHFFFAOYSA-N 0 0 448.592 5.773 50 0 IKAARN CCOc1ccc(Nc2nnc(SCC(=O)Nc3cccc4ccccc43)s2)cc1 ZINC000002657808 569415655 /nfs/dbraw/zinc/41/56/55/569415655.db2.gz DITMJEAWPDWWFS-UHFFFAOYSA-N 0 0 436.562 5.564 50 0 IKAARN CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000002659277 569415740 /nfs/dbraw/zinc/41/57/40/569415740.db2.gz SHVBLVYYXZRWRS-QGZVFWFLSA-N 0 0 440.461 6.753 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)Nc3ccccc3C(C)(C)C)cc12 ZINC000002659370 569415796 /nfs/dbraw/zinc/41/57/96/569415796.db2.gz LGXCIWCPODQUAJ-UHFFFAOYSA-N 0 0 448.617 5.820 50 0 IKAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 ZINC000002659413 569415804 /nfs/dbraw/zinc/41/58/04/569415804.db2.gz UHDUJJXDCQEPFK-UHFFFAOYSA-N 0 0 448.978 5.334 50 0 IKAARN CCCc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000002659278 569415806 /nfs/dbraw/zinc/41/58/06/569415806.db2.gz SHVBLVYYXZRWRS-KRWDZBQOSA-N 0 0 440.461 6.753 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2ccccc2cc1OC ZINC000002659617 569415896 /nfs/dbraw/zinc/41/58/96/569415896.db2.gz UJVMDETUBXUNJF-UHFFFAOYSA-N 0 0 449.503 6.145 50 0 IKAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)N(CCc3ccccc3)Cc3ccccc3)cc2C1 ZINC000002660437 569416043 /nfs/dbraw/zinc/41/60/43/569416043.db2.gz BVUQIFBBPBTKMK-HXUWFJFHSA-N 0 0 447.600 5.301 50 0 IKAARN O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000002669441 569416591 /nfs/dbraw/zinc/41/65/91/569416591.db2.gz WNSZHQOCIVTBLM-VAWYXSNFSA-N 0 0 439.367 6.846 50 0 IKAARN O=c1c2ccc(OCc3ccc(Cl)cc3Cl)cc2occ1-c1ccc(Cl)cc1 ZINC000002666278 569416609 /nfs/dbraw/zinc/41/66/09/569416609.db2.gz DCVKUGKGWFYSOV-UHFFFAOYSA-N 0 0 431.702 6.999 50 0 biogenic IKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000002671137 569416617 /nfs/dbraw/zinc/41/66/17/569416617.db2.gz ZXRATWOBRXLVJX-OAHLLOKOSA-N 0 0 447.431 6.981 50 0 IKAARN O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3cccc(Cl)c3)ccc12 ZINC000002667544 569416623 /nfs/dbraw/zinc/41/66/23/569416623.db2.gz JQAYVOMBEFWTAZ-UHFFFAOYSA-N 0 0 441.708 6.455 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002669429 569416647 /nfs/dbraw/zinc/41/66/47/569416647.db2.gz FEFVYYPLDWZZRK-BJMVGYQFSA-N 0 0 431.388 6.816 50 0 IKAARN Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 ZINC000002679417 569416694 /nfs/dbraw/zinc/41/66/94/569416694.db2.gz HMYGJRMRLDOZIJ-UHFFFAOYSA-N 0 0 437.927 6.907 50 0 IKAARN Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)s2)c(C)c1 ZINC000002679369 569416757 /nfs/dbraw/zinc/41/67/57/569416757.db2.gz WAAUIBNZACSFNH-UHFFFAOYSA-N 0 0 427.573 7.040 50 0 IKAARN COc1ccccc1Cn1cc2c(-c3ccc(F)cc3)nnc-2c2cc3c(cc21)OCCO3 ZINC000002690124 569416838 /nfs/dbraw/zinc/41/68/38/569416838.db2.gz GLRRIQNOJVXGPF-UHFFFAOYSA-N 0 0 441.462 5.170 50 0 IKAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1 ZINC000002688287 569416846 /nfs/dbraw/zinc/41/68/46/569416846.db2.gz LZXBKBLRFRVLLY-UHFFFAOYSA-N 0 0 441.462 5.170 50 0 IKAARN CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4OC)cc2-3)OCO5)cc1 ZINC000002691370 569417185 /nfs/dbraw/zinc/41/71/85/569417185.db2.gz RGHZTAQYDSLHJW-UHFFFAOYSA-N 0 0 437.499 5.551 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000028689446 569417590 /nfs/dbraw/zinc/41/75/90/569417590.db2.gz QUHSZXKBIVSFGZ-UHFFFAOYSA-N 0 0 429.545 6.580 50 0 IKAARN C[C@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714794 569417911 /nfs/dbraw/zinc/41/79/11/569417911.db2.gz OOYFYQMWQFXQDH-RXVVDRJESA-N 0 0 428.555 6.853 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)C2CCCC2)c1Sc1c(F)c(F)c(F)c(F)c1F ZINC000002718657 569418078 /nfs/dbraw/zinc/41/80/78/569418078.db2.gz JTBPLKLXXWHKNK-UHFFFAOYSA-N 0 0 448.457 5.889 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000002721183 569418211 /nfs/dbraw/zinc/41/82/11/569418211.db2.gz FHPFNNGMGUVWSK-UHFFFAOYSA-N 0 0 446.528 5.094 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1cc(C)ccc1C ZINC000002722456 569418311 /nfs/dbraw/zinc/41/83/11/569418311.db2.gz OMHDQNQAIZWXHR-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN O=C(CCC1CCCCC1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724506 569418475 /nfs/dbraw/zinc/41/84/75/569418475.db2.gz SFIAJGZCHGHBHL-XMMPIXPASA-N 0 0 428.935 5.710 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725317 569418497 /nfs/dbraw/zinc/41/84/97/569418497.db2.gz LMIKBUZQUDTZJG-INIZCTEOSA-N 0 0 426.700 5.168 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000002725857 569418522 /nfs/dbraw/zinc/41/85/22/569418522.db2.gz VVXRWWPAADUYNC-QFIPXVFZSA-N 0 0 444.535 5.756 50 0 IKAARN O=C(Nc1c(F)cccc1F)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725455 569418539 /nfs/dbraw/zinc/41/85/39/569418539.db2.gz CWAOJLCDGDVFMX-UHFFFAOYSA-N 0 0 429.128 5.081 50 0 IKAARN CCCCN(C(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1)c1ccccc1 ZINC000002725486 569418636 /nfs/dbraw/zinc/41/86/36/569418636.db2.gz WLJGZKLQRMESKZ-UHFFFAOYSA-N 0 0 449.256 5.997 50 0 IKAARN C[C@H](CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000002731158 569419459 /nfs/dbraw/zinc/41/94/59/569419459.db2.gz HURYXKUDWLUZLB-OAHLLOKOSA-N 0 0 442.441 5.101 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3cccc(C)c3)n2)cc1OC ZINC000002733268 569419502 /nfs/dbraw/zinc/41/95/02/569419502.db2.gz WXEAIVPONPLWCC-UHFFFAOYSA-N 0 0 430.504 5.549 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(C)c(C)c1 ZINC000002733258 569419528 /nfs/dbraw/zinc/41/95/28/569419528.db2.gz UGUQIHNVNJZWQH-UHFFFAOYSA-N 0 0 435.398 8.055 50 0 IKAARN COc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(OC)c3)c2C)c1 ZINC000002733407 569419550 /nfs/dbraw/zinc/41/95/50/569419550.db2.gz ZKAYPVMZTACJFQ-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C ZINC000002738636 569419673 /nfs/dbraw/zinc/41/96/73/569419673.db2.gz PMEXSNBVTZYIHS-HZHRSRAPSA-N 0 0 427.500 5.626 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000002733577 569419706 /nfs/dbraw/zinc/41/97/06/569419706.db2.gz DMVWTAFXVIXWIJ-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Cn1nc(-c2cccc(Br)c2)c(Cl)c1-c1cccc(Br)c1 ZINC000002733434 569419736 /nfs/dbraw/zinc/41/97/36/569419736.db2.gz KVXWKEDMSDUGGZ-UHFFFAOYSA-N 0 0 426.539 5.933 50 0 IKAARN COc1cc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)ccc1OC(F)F ZINC000002739568 569419793 /nfs/dbraw/zinc/41/97/93/569419793.db2.gz RMMPWQGHODXOAW-UHFFFAOYSA-N 0 0 435.879 6.354 50 0 IKAARN Cc1cccc(COc2ccccc2/C=C2/N=C(c3ccccc3Br)OC2=O)c1 ZINC000002739714 569419804 /nfs/dbraw/zinc/41/98/04/569419804.db2.gz MIVPOFOIOIMMRJ-KGENOOAVSA-N 0 0 448.316 5.681 50 0 IKAARN O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(COc2ccccc2Cl)o1 ZINC000002744195 569420029 /nfs/dbraw/zinc/42/00/29/569420029.db2.gz HXQICRBJVMIWPZ-UHFFFAOYSA-N 0 0 425.847 5.148 50 0 IKAARN CCCCOc1c(Cl)cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002753064 569420439 /nfs/dbraw/zinc/42/04/39/569420439.db2.gz JHNHBXHNVLJYJV-PXLXIMEGSA-N 0 0 449.934 6.415 50 0 IKAARN Cc1sc(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)nc1-c1ccc(C)cc1 ZINC000002755235 569420448 /nfs/dbraw/zinc/42/04/48/569420448.db2.gz CROJSTLQSWCKRN-UHFFFAOYSA-N 0 0 448.975 6.912 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002757648 569420506 /nfs/dbraw/zinc/42/05/06/569420506.db2.gz RVYLQTOFYCUVNF-RTBURBONSA-N 0 0 425.594 5.843 50 0 IKAARN COc1cccc(OCc2ccc(C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)c1 ZINC000002760224 569420508 /nfs/dbraw/zinc/42/05/08/569420508.db2.gz BYRVLSJRMRCTKM-UHFFFAOYSA-N 0 0 444.531 5.153 50 0 IKAARN COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)Cc1ccc(F)cc1 ZINC000002763906 569420618 /nfs/dbraw/zinc/42/06/18/569420618.db2.gz BGRZRYHLVZSAEM-UHFFFAOYSA-N 0 0 448.313 5.285 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4ccccc4Cl)c3n2)cc1 ZINC000002769919 569420736 /nfs/dbraw/zinc/42/07/36/569420736.db2.gz DBGTVELEKCRBSZ-UHFFFAOYSA-N 0 0 440.881 5.268 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2cc(-c3nnc(-c4ccccc4)o3)nn21 ZINC000002785558 569421343 /nfs/dbraw/zinc/42/13/43/569421343.db2.gz PWKOBMLVSKMZNM-UHFFFAOYSA-N 0 0 447.829 5.847 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nnc(-c5ccccc5)o4)cc3n2)cc1 ZINC000002785613 569421373 /nfs/dbraw/zinc/42/13/73/569421373.db2.gz KEPPNEBNQBENKB-UHFFFAOYSA-N 0 0 437.381 5.141 50 0 IKAARN CCC(C)(C)c1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)s1 ZINC000002789414 569421493 /nfs/dbraw/zinc/42/14/93/569421493.db2.gz ZMCGPHJNJFWMDB-UHFFFAOYSA-N 0 0 432.549 5.702 50 0 IKAARN Cc1nn2c(nc(-c3ccc(Cl)c(Cl)c3)cc2C(F)(F)F)c1Br ZINC000002786968 569421495 /nfs/dbraw/zinc/42/14/95/569421495.db2.gz IJWAKMQNQIHNTF-UHFFFAOYSA-N 0 0 425.035 5.793 50 0 IKAARN Cc1cc(C(F)(F)F)nn1CCc1nc2c3c(ncn2n1)sc(C)c3-c1ccccc1 ZINC000002792674 569421896 /nfs/dbraw/zinc/42/18/96/569421896.db2.gz BPTSRQSOVPTWHP-UHFFFAOYSA-N 0 0 442.470 5.081 50 0 IKAARN CCc1ccccc1N1C(=S)N=NC1c1cccc(COCC(F)(F)C(F)F)c1 ZINC000002791749 569421907 /nfs/dbraw/zinc/42/19/07/569421907.db2.gz MVIWMTPQJRBHTE-UHFFFAOYSA-N 0 0 425.451 5.202 50 0 IKAARN O=C(C(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1)N1CCCCC1 ZINC000002792990 569421971 /nfs/dbraw/zinc/42/19/71/569421971.db2.gz RUIWLRRKIIFKPC-UHFFFAOYSA-N 0 0 426.944 5.008 50 0 IKAARN Cc1c(Cl)cccc1OCc1ccc(C=C2NC(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000002793745 569422025 /nfs/dbraw/zinc/42/20/25/569422025.db2.gz LDDVSVNAEOQDPZ-ODLFYWEKSA-N 0 0 442.899 5.633 50 0 IKAARN Cc1cc(OCn2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)n2)ccc1Cl ZINC000002794706 569422041 /nfs/dbraw/zinc/42/20/41/569422041.db2.gz CQODPLIKYMHLJQ-UHFFFAOYSA-N 0 0 433.320 5.397 50 0 IKAARN Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(Cc2cccc(Cl)c2)o1 ZINC000002804583 569422545 /nfs/dbraw/zinc/42/25/45/569422545.db2.gz PDUWGYKHRCKSRP-VIFPVBQESA-N 0 0 431.668 5.128 50 0 IKAARN CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc6c(c5)CCC6)o4)nc3c12 ZINC000002808836 569422779 /nfs/dbraw/zinc/42/27/79/569422779.db2.gz RMRVASYGSFXAOF-UHFFFAOYSA-N 0 0 430.533 5.538 50 0 IKAARN S=C(Nc1ccccc1Sc1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000002807730 569422798 /nfs/dbraw/zinc/42/27/98/569422798.db2.gz GXXXDSCUKZOUDO-UHFFFAOYSA-N 0 0 444.650 7.798 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nccc(-c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000002809365 569422873 /nfs/dbraw/zinc/42/28/73/569422873.db2.gz QDKHZWXSWIALJQ-UHFFFAOYSA-N 0 0 434.348 5.580 50 0 IKAARN CCOC(=O)c1sc(C)c2c1N[C@@H](c1ccc(Cl)cc1)N(C1CCCCC1)C2=O ZINC000002813636 569423035 /nfs/dbraw/zinc/42/30/35/569423035.db2.gz DCAXIOCLOFBJQH-HXUWFJFHSA-N 0 0 432.973 5.786 50 0 IKAARN Cc1ccc(OCCOc2ccc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)cc2)cc1C ZINC000002822507 569423146 /nfs/dbraw/zinc/42/31/46/569423146.db2.gz MINYOEROMNVCRM-LFVJCYFKSA-N 0 0 431.463 5.245 50 0 IKAARN O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000002880546 569424102 /nfs/dbraw/zinc/42/41/02/569424102.db2.gz BKPINNKWXDQGTF-CQSZACIVSA-N 0 0 440.527 5.126 50 0 IKAARN O=C(CNc1cccc2ccccc21)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 ZINC000002887674 569424188 /nfs/dbraw/zinc/42/41/88/569424188.db2.gz CHNOXKOYORPRHE-UHFFFAOYSA-N 0 0 442.371 6.245 50 0 IKAARN CCOc1ccc(-c2c(C)sc(NC(=O)c3ccccc3Cl)c2C(=O)OC)cc1 ZINC000002888729 569424307 /nfs/dbraw/zinc/42/43/07/569424307.db2.gz VRQDQCXRCAIUGC-UHFFFAOYSA-N 0 0 429.925 5.815 50 0 IKAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1Cl)c1ccccc1 ZINC000002909351 569424677 /nfs/dbraw/zinc/42/46/77/569424677.db2.gz HQLNIWVPTZFIBG-UHFFFAOYSA-N 0 0 447.368 5.729 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002910992 569424798 /nfs/dbraw/zinc/42/47/98/569424798.db2.gz RSSKJXQMFZLMOG-UHFFFAOYSA-N 0 0 441.915 5.168 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)sc2nc(C)n(C)c(=O)c12 ZINC000002911491 569425001 /nfs/dbraw/zinc/42/50/01/569425001.db2.gz NRQLLSYYBSOWOS-UHFFFAOYSA-N 0 0 439.924 5.310 50 0 IKAARN Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)cc3)O2)[C@@H](c2ccccc2)N2NC=NC2=N1 ZINC000002917916 569425265 /nfs/dbraw/zinc/42/52/65/569425265.db2.gz QYGALYPGJYIWCL-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2c(F)cccc2Cl)cc1C ZINC000002925207 569425648 /nfs/dbraw/zinc/42/56/48/569425648.db2.gz YPTLPDDOGICFBK-UHFFFAOYSA-N 0 0 430.957 6.149 50 0 IKAARN CCN(CC)c1nc(C)nc2sc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)c21 ZINC000002925936 569425655 /nfs/dbraw/zinc/42/56/55/569425655.db2.gz DZSLGKVKPWGDIF-UHFFFAOYSA-N 0 0 448.976 5.077 50 0 IKAARN COc1ccc(NC(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)c(OC)c1 ZINC000002926836 569425789 /nfs/dbraw/zinc/42/57/89/569425789.db2.gz STTUIGVTVXPDOF-UHFFFAOYSA-N 0 0 434.521 5.037 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(Br)cc2)c1C ZINC000002928435 569425869 /nfs/dbraw/zinc/42/58/69/569425869.db2.gz GAGKCSSLJUFAEC-UHFFFAOYSA-N 0 0 441.325 5.041 50 0 IKAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nc3cc(C)c(C)cc3s2)c1C ZINC000002929639 569426028 /nfs/dbraw/zinc/42/60/28/569426028.db2.gz HMDDSIQNZSHBOM-UHFFFAOYSA-N 0 0 435.524 5.670 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000002929213 569426036 /nfs/dbraw/zinc/42/60/36/569426036.db2.gz FYOGCYUIIBKUPV-UHFFFAOYSA-N 0 0 428.891 5.462 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000002932424 569426101 /nfs/dbraw/zinc/42/61/01/569426101.db2.gz JVLXCTATDQZTEU-PXLXIMEGSA-N 0 0 445.496 5.464 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc(-c3noc(Cc4ccc(Cl)cc4)n3)cc2)cc1 ZINC000002930912 569426147 /nfs/dbraw/zinc/42/61/47/569426147.db2.gz WAXKMHFGBXNPGD-UHFFFAOYSA-N 0 0 447.922 5.561 50 0 IKAARN Cc1c(C(=O)N2CCCC[C@H]2C)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937659 569426428 /nfs/dbraw/zinc/42/64/28/569426428.db2.gz RJZGVXAQAATIDF-MRXNPFEDSA-N 0 0 436.625 6.214 50 0 IKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002939857 569426481 /nfs/dbraw/zinc/42/64/81/569426481.db2.gz ACWYGJGJDXVUPZ-UHFFFAOYSA-N 0 0 447.490 6.813 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000002940024 569426508 /nfs/dbraw/zinc/42/65/08/569426508.db2.gz JEMDQHRPQTXJFY-UHFFFAOYSA-N 0 0 425.362 5.611 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000002939964 569426510 /nfs/dbraw/zinc/42/65/10/569426510.db2.gz GYRUXKRRJRLMEW-UHFFFAOYSA-N 0 0 433.463 6.505 50 0 IKAARN COc1cc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc(OC)c1OC ZINC000002940032 569426676 /nfs/dbraw/zinc/42/66/76/569426676.db2.gz JWAHONSAKHWTLH-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN Cc1cc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)ccc1Br ZINC000002940136 569426722 /nfs/dbraw/zinc/42/67/22/569426722.db2.gz RJBHKGRGCQGGIU-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(C)c1 ZINC000002940031 569426724 /nfs/dbraw/zinc/42/67/24/569426724.db2.gz DZQLGRKLDOBHRF-UHFFFAOYSA-N 0 0 426.516 5.867 50 0 IKAARN CCCCNc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000002941568 569426816 /nfs/dbraw/zinc/42/68/16/569426816.db2.gz AFDMHRDZRJTGLF-UHFFFAOYSA-N 0 0 434.487 5.591 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3c(NCCc3ccccc3)n2)cc1 ZINC000002941530 569426832 /nfs/dbraw/zinc/42/68/32/569426832.db2.gz CBZGIPUNJOKRJJ-UHFFFAOYSA-N 0 0 442.588 5.001 50 0 IKAARN CCOc1ccc(-n2nc(C(=O)N(C)c3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1 ZINC000002943942 569426903 /nfs/dbraw/zinc/42/69/03/569426903.db2.gz NYTKUHZOXCHDSJ-UHFFFAOYSA-N 0 0 441.531 5.184 50 0 IKAARN Cc1cc(N2C(=O)CS[C@H]2c2ccccc2Br)ccc1Br ZINC000002947550 569427014 /nfs/dbraw/zinc/42/70/14/569427014.db2.gz WWIJJJRAUNOMLI-INIZCTEOSA-N 0 0 427.161 5.299 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000002948837 569427139 /nfs/dbraw/zinc/42/71/39/569427139.db2.gz RALSCZRSCADZBS-UHFFFAOYSA-N 0 0 448.523 5.642 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3ccc(OCc4nc(C5CC5)cs4)cc3)c2)cs1 ZINC000056907820 569427558 /nfs/dbraw/zinc/42/75/58/569427558.db2.gz WHKAINIJPKTBSY-UHFFFAOYSA-N 0 0 447.585 6.284 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056945663 569428165 /nfs/dbraw/zinc/42/81/65/569428165.db2.gz UXNOJJHAQUOSBT-XMMPIXPASA-N 0 0 449.570 5.010 50 0 IKAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000029170114 569428507 /nfs/dbraw/zinc/42/85/07/569428507.db2.gz URMCDKVISVMRFC-UHFFFAOYSA-N 0 0 441.462 5.749 50 0 IKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000029200275 569428674 /nfs/dbraw/zinc/42/86/74/569428674.db2.gz GXVXKUVWMWFTJZ-UHFFFAOYSA-N 0 0 444.463 5.042 50 0 IKAARN Cc1cccc(NC(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000057015954 569429105 /nfs/dbraw/zinc/42/91/05/569429105.db2.gz KEBYHGNSWSGQQM-HYBUGGRVSA-N 0 0 434.609 5.130 50 0 IKAARN Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000057015949 569429120 /nfs/dbraw/zinc/42/91/20/569429120.db2.gz KEBYHGNSWSGQQM-RDPSFJRHSA-N 0 0 434.609 5.130 50 0 IKAARN Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000057015952 569429147 /nfs/dbraw/zinc/42/91/47/569429147.db2.gz KEBYHGNSWSGQQM-GBXCKJPGSA-N 0 0 434.609 5.130 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@H]3CCC1 ZINC000057049726 569429295 /nfs/dbraw/zinc/42/92/95/569429295.db2.gz MKXJUHPZFKVOIT-DEOSSOPVSA-N 0 0 447.623 5.132 50 0 biogenic IKAARN Cc1nc(-c2ccc(CN[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)s2)cs1 ZINC000057270780 569430268 /nfs/dbraw/zinc/43/02/68/569430268.db2.gz INOOXCXZKPYVFV-JOCHJYFZSA-N 0 0 437.565 5.789 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000057303656 569430677 /nfs/dbraw/zinc/43/06/77/569430677.db2.gz DHSBRFCZZNBNKU-HHHXNRCGSA-N 0 0 438.575 5.326 50 0 IKAARN CC(=O)N(c1nc(CN(C)Cc2cccc(Cl)c2Cl)cs1)c1ccccc1F ZINC000057315534 569430980 /nfs/dbraw/zinc/43/09/80/569430980.db2.gz LFKOGOBEQMYDGT-UHFFFAOYSA-N 0 0 438.355 5.906 50 0 IKAARN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1Cl ZINC000057315268 569431011 /nfs/dbraw/zinc/43/10/11/569431011.db2.gz MOQHVSUZGPMNEC-OAHLLOKOSA-N 0 0 425.891 5.021 50 0 IKAARN Cc1ccc(-c2noc(-c3cc4cccc(OCc5ccccc5F)c4oc3=O)n2)cc1 ZINC000057354726 569431274 /nfs/dbraw/zinc/43/12/74/569431274.db2.gz MMUYMYIWLLGPLI-UHFFFAOYSA-N 0 0 428.419 5.537 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000057350728 569431326 /nfs/dbraw/zinc/43/13/26/569431326.db2.gz XHFRGGGUSSFUGD-AREMUKBSSA-N 0 0 447.623 5.098 50 0 IKAARN COc1ccc(CN(C)Cc2cc3ccc(SC)cc3nc2Cl)c(OC)c1OC ZINC000057358652 569431456 /nfs/dbraw/zinc/43/14/56/569431456.db2.gz BCDDMLUHXGFIAL-UHFFFAOYSA-N 0 0 432.973 5.268 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002951102 569431964 /nfs/dbraw/zinc/43/19/64/569431964.db2.gz LDPLCHIVGVHQLW-UHFFFAOYSA-N 0 0 443.890 5.776 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1NC(=O)c1ccc(C)cc1 ZINC000002950412 569431976 /nfs/dbraw/zinc/43/19/76/569431976.db2.gz ZICFUDZSNWFOHZ-UHFFFAOYSA-N 0 0 445.906 6.116 50 0 IKAARN COc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000002950714 569431985 /nfs/dbraw/zinc/43/19/85/569431985.db2.gz JOVXKSQAVLIDNA-UHFFFAOYSA-N 0 0 446.506 6.212 50 0 biogenic IKAARN Cc1c(C)c2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2cc1Br ZINC000002950834 569431999 /nfs/dbraw/zinc/43/19/99/569431999.db2.gz LUSSLRHOKMUEPQ-UHFFFAOYSA-N 0 0 425.276 6.621 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002951015 569432064 /nfs/dbraw/zinc/43/20/64/569432064.db2.gz BEIVGEMXZXIZFL-RDJZCZTQSA-N 0 0 433.602 6.395 50 0 IKAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3Cl)oc21 ZINC000002951434 569432084 /nfs/dbraw/zinc/43/20/84/569432084.db2.gz ICRFJJSOZIYCHM-GFMRDNFCSA-N 0 0 425.897 5.426 50 0 IKAARN CCOc1cccc2cc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)c(=O)oc21 ZINC000002951608 569432104 /nfs/dbraw/zinc/43/21/04/569432104.db2.gz OAQDAVJPPNUKMB-UHFFFAOYSA-N 0 0 435.863 5.890 50 0 IKAARN Cc1sc(NC(=O)c2cc3cc(Br)ccc3oc2=O)nc1-c1cccs1 ZINC000002951664 569432181 /nfs/dbraw/zinc/43/21/81/569432181.db2.gz YQEBXXAJDOPNIJ-UHFFFAOYSA-N 0 0 447.335 5.301 50 0 IKAARN Cc1ccc(C)c(CN2c3cc(C(=O)NC4CC4)ccc3Sc3ccccc3C2=O)c1 ZINC000002953644 569432294 /nfs/dbraw/zinc/43/22/94/569432294.db2.gz CYAPKYKHROEKGM-UHFFFAOYSA-N 0 0 428.557 5.507 50 0 IKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2c(F)cccc2F)n1 ZINC000002956236 569432334 /nfs/dbraw/zinc/43/23/34/569432334.db2.gz LKEPDSGJUQYKPL-UHFFFAOYSA-N 0 0 435.249 5.701 50 0 IKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccc(F)cc2F)n1 ZINC000002956237 569432362 /nfs/dbraw/zinc/43/23/62/569432362.db2.gz KNKIBMVHOBCFND-UHFFFAOYSA-N 0 0 435.249 5.701 50 0 IKAARN CCc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2Cl)c1 ZINC000002955023 569432422 /nfs/dbraw/zinc/43/24/22/569432422.db2.gz OGDFFOXGMDKMNP-FVDSYPCUSA-N 0 0 447.922 5.329 50 0 IKAARN O=c1oc2ccc(Cl)cc2cc1-c1cn(-c2ccc(Br)cc2)c(=S)[nH]1 ZINC000002957875 569432536 /nfs/dbraw/zinc/43/25/36/569432536.db2.gz VLOWBRGHNYCZMO-UHFFFAOYSA-N 0 0 433.714 5.724 50 0 IKAARN CCc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)cc1 ZINC000002965164 569432858 /nfs/dbraw/zinc/43/28/58/569432858.db2.gz IADVLWJFEZVUPS-UHFFFAOYSA-N 0 0 434.511 6.157 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)cc1 ZINC000002965470 569432867 /nfs/dbraw/zinc/43/28/67/569432867.db2.gz CNMGDSWVQLEDHD-RTWAWAEBSA-N 0 0 448.592 5.014 50 0 IKAARN Brc1ccc(OCc2ccccc2)c(-c2nnc3ccc4ccccc4n32)c1 ZINC000002967364 569433008 /nfs/dbraw/zinc/43/30/08/569433008.db2.gz TXMZSHISRYVKPK-UHFFFAOYSA-N 0 0 430.305 5.891 50 0 IKAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4cccc(Cl)c4)n3n2)n1 ZINC000002969217 569433098 /nfs/dbraw/zinc/43/30/98/569433098.db2.gz USIOGZRDPOIBKA-UHFFFAOYSA-N 0 0 448.983 5.279 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1C1CCCCC1 ZINC000002970099 569433222 /nfs/dbraw/zinc/43/32/22/569433222.db2.gz LPIWJLIFQLCZIE-UHFFFAOYSA-N 0 0 429.383 5.957 50 0 IKAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3ccc(C)cc3)n2n1 ZINC000002969634 569433240 /nfs/dbraw/zinc/43/32/40/569433240.db2.gz CRMSQCRGFAHQGL-UHFFFAOYSA-N 0 0 428.565 5.003 50 0 IKAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3ccccc3Cl)n2n1 ZINC000002969621 569433324 /nfs/dbraw/zinc/43/33/24/569433324.db2.gz LTXTZMBLBLQKSR-UHFFFAOYSA-N 0 0 448.983 5.348 50 0 IKAARN O=C(Nc1ccccc1Cl)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000002974198 569433554 /nfs/dbraw/zinc/43/35/54/569433554.db2.gz WNOAGEAOJRIHTB-UHFFFAOYSA-N 0 0 442.943 6.314 50 0 IKAARN C[C@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974970 569433557 /nfs/dbraw/zinc/43/35/57/569433557.db2.gz IATCAPSQFAMHBK-GHTZIAJQSA-N 0 0 445.010 7.368 50 0 IKAARN C[C@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974973 569433559 /nfs/dbraw/zinc/43/35/59/569433559.db2.gz IATCAPSQFAMHBK-RXVVDRJESA-N 0 0 445.010 7.368 50 0 IKAARN C[C@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974922 569433577 /nfs/dbraw/zinc/43/35/77/569433577.db2.gz GGYIHUAHJDCRLH-RXVVDRJESA-N 0 0 445.010 7.368 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccc(OC)cc4OC)[nH]n3)ccc21 ZINC000057412953 569433767 /nfs/dbraw/zinc/43/37/67/569433767.db2.gz ZZWHTYWRKMDRNM-UHFFFAOYSA-N 0 0 440.503 5.474 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)cc1 ZINC000002980609 569434095 /nfs/dbraw/zinc/43/40/95/569434095.db2.gz RADGXZKLKZMMNS-WSDLNYQXSA-N 0 0 438.310 6.225 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)cc1C ZINC000057486360 569436419 /nfs/dbraw/zinc/43/64/19/569436419.db2.gz QXPGMMWABGOSIL-UHFFFAOYSA-N 0 0 427.367 5.806 50 0 IKAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)ccc1Cl ZINC000057426078 569434540 /nfs/dbraw/zinc/43/45/40/569434540.db2.gz GZVVSLVRDQOCEM-UHFFFAOYSA-N 0 0 439.965 5.027 50 0 IKAARN CC(C)Cn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000057426309 569434562 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CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 ZINC000057487404 569436750 /nfs/dbraw/zinc/43/67/50/569436750.db2.gz ZAZCBWYGUJZWOU-UHFFFAOYSA-N 0 0 435.574 5.049 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl ZINC000057487796 569436842 /nfs/dbraw/zinc/43/68/42/569436842.db2.gz IHDUKGWZPYYCKG-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)c1 ZINC000057488285 569436948 /nfs/dbraw/zinc/43/69/48/569436948.db2.gz TYCODWFUMHTFDN-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)c1 ZINC000057488339 569436952 /nfs/dbraw/zinc/43/69/52/569436952.db2.gz ZDXHMWNMZYQSJM-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c1 ZINC000057488663 569437002 /nfs/dbraw/zinc/43/70/02/569437002.db2.gz LTWXCDOGNAIWRT-UHFFFAOYSA-N 0 0 449.601 5.128 50 0 IKAARN COC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2 ZINC000003030860 569437618 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O=C1CN(C2CCCCC2)C(=O)[C@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 ZINC000003035203 569437924 /nfs/dbraw/zinc/43/79/24/569437924.db2.gz MIBJZQBQVCEISL-QFIPXVFZSA-N 0 0 431.363 5.238 50 0 IKAARN Cc1ccc(CCNC(=O)c2cnn3c2nc(C)c(Cc2c(C)cc(C)cc2C)c3C)cc1 ZINC000003035580 569437929 /nfs/dbraw/zinc/43/79/29/569437929.db2.gz FHMLKUQQQYSNTG-UHFFFAOYSA-N 0 0 440.591 5.143 50 0 IKAARN Cc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000003036071 569437953 /nfs/dbraw/zinc/43/79/53/569437953.db2.gz FUJIHCRKIKWRKU-UHFFFAOYSA-N 0 0 428.557 6.780 50 0 IKAARN CCOc1cccc2cc(-c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)c(=O)oc21 ZINC000003037909 569437979 /nfs/dbraw/zinc/43/79/79/569437979.db2.gz BIZJOGMEBMSJAD-UHFFFAOYSA-N 0 0 428.875 6.122 50 0 IKAARN CCOP(=O)(CN(Cc1ccccc1Cl)C(=S)Nc1cccc(C)c1)OCC ZINC000003039788 569438030 /nfs/dbraw/zinc/43/80/30/569438030.db2.gz PCMIILSRGAJKII-UHFFFAOYSA-N 0 0 440.933 6.071 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(F)cc2Cl)N1C1CCCCCCC1 ZINC000003039555 569438042 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CC(=O)Nc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1Sc1ccc(F)cc1 ZINC000003048824 569438851 /nfs/dbraw/zinc/43/88/51/569438851.db2.gz USALSENPDKHMAL-QGZVFWFLSA-N 0 0 436.552 5.686 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003049180 569438948 /nfs/dbraw/zinc/43/89/48/569438948.db2.gz VKPZBWCWCDZRLK-UHFFFAOYSA-N 0 0 429.781 6.501 50 0 IKAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000057523124 569439067 /nfs/dbraw/zinc/43/90/67/569439067.db2.gz TYKLSAUPOPNTHK-UHFFFAOYSA-N 0 0 446.576 5.068 50 0 IKAARN O=c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cn1Cc1ccccc1 ZINC000003052077 569439279 /nfs/dbraw/zinc/43/92/79/569439279.db2.gz CGCDKVZUKSWGTP-UHFFFAOYSA-N 0 0 444.343 5.546 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003054438 569439337 /nfs/dbraw/zinc/43/93/37/569439337.db2.gz SDQOGKPTSPLNQO-MRXNPFEDSA-N 0 0 434.536 5.666 50 0 IKAARN O=C(NCCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000003055371 569439375 /nfs/dbraw/zinc/43/93/75/569439375.db2.gz RAHRUVMBDKOWFC-JCMHNJIXSA-N 0 0 439.342 5.123 50 0 IKAARN CCCC(=O)Nc1cc(C(=O)NC2CCC(C)CC2)ccc1Sc1ccc(Cl)cc1 ZINC000003056441 569439399 /nfs/dbraw/zinc/43/93/99/569439399.db2.gz BUKATFAVGIHSKC-UHFFFAOYSA-N 0 0 445.028 6.538 50 0 IKAARN CCCCSCCCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000003058147 569439417 /nfs/dbraw/zinc/43/94/17/569439417.db2.gz OXEZUKMTYIFXJJ-UHFFFAOYSA-N 0 0 435.637 6.755 50 0 IKAARN O=C(Oc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1)c1ccc(Cl)cc1 ZINC000003063521 569439635 /nfs/dbraw/zinc/43/96/35/569439635.db2.gz WEXVHABQASUGOC-UHFFFAOYSA-N 0 0 428.193 6.419 50 0 IKAARN CCOc1ccc2c(c1)[C@@H](SCCC(=O)NCc1ccc(F)cc1)CC1(CCCC1)O2 ZINC000003065706 569439700 /nfs/dbraw/zinc/43/97/00/569439700.db2.gz XGSKXMDJSBIWCH-QHCPKHFHSA-N 0 0 443.584 5.801 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)cc1 ZINC000003064062 569439702 /nfs/dbraw/zinc/43/97/02/569439702.db2.gz FFRNEZUXBKCXLS-JLPGSUDCSA-N 0 0 444.556 5.143 50 0 IKAARN CCOC(=O)[C@H](C)Sc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000003104482 569440193 /nfs/dbraw/zinc/44/01/93/569440193.db2.gz DSNALBSJCGDOSD-HNNXBMFYSA-N 0 0 445.009 6.133 50 0 IKAARN Cn1nc(CSc2ccccc2)c(CSc2cccc(Cl)c2Cl)c1Cl ZINC000003105912 569440242 /nfs/dbraw/zinc/44/02/42/569440242.db2.gz HVCVSLCBNFPWEQ-UHFFFAOYSA-N 0 0 429.825 6.965 50 0 IKAARN COc1ccc(SCc2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)cc1 ZINC000003105793 569440246 /nfs/dbraw/zinc/44/02/46/569440246.db2.gz OHONFPSWPSUYGI-UHFFFAOYSA-N 0 0 425.406 6.320 50 0 IKAARN Cc1ccc(SCc2nn(C)c(Cl)c2CSc2cccc(Cl)c2Cl)cc1 ZINC000003105898 569440258 /nfs/dbraw/zinc/44/02/58/569440258.db2.gz UTQIIOYOCKHPNL-UHFFFAOYSA-N 0 0 443.852 7.273 50 0 IKAARN C[C@H](C(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000003105476 569440284 /nfs/dbraw/zinc/44/02/84/569440284.db2.gz KPYVSPPNFLPYRR-LURJTMIESA-N 0 0 448.055 5.621 50 0 IKAARN Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1cccc(Cl)c1Cl ZINC000003104880 569440287 /nfs/dbraw/zinc/44/02/87/569440287.db2.gz 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ZINC000003128641 569440612 /nfs/dbraw/zinc/44/06/12/569440612.db2.gz HHJVZANMHTXCLB-UHFFFAOYSA-N 0 0 428.793 7.253 50 0 IKAARN Cc1cc(C)c(C(=O)c2ccccc2)c(OC(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000003128724 569440617 /nfs/dbraw/zinc/44/06/17/569440617.db2.gz LFGISDKBRIDNQH-UHFFFAOYSA-N 0 0 434.706 6.109 50 0 IKAARN CCCCCCOc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000003123420 569440618 /nfs/dbraw/zinc/44/06/18/569440618.db2.gz RUESOEAEXGOUJY-UHFFFAOYSA-N 0 0 425.465 7.324 50 0 IKAARN Cc1c(OCc2c(Cl)cccc2Cl)c(=O)ccn1Cc1c(F)cccc1Cl ZINC000003128596 569440638 /nfs/dbraw/zinc/44/06/38/569440638.db2.gz MDTVPPWNZCEKLA-UHFFFAOYSA-N 0 0 426.702 5.883 50 0 IKAARN COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Sc1cccc(Cl)c1 ZINC000003133185 569440665 /nfs/dbraw/zinc/44/06/65/569440665.db2.gz BGDFYLHOANBXRX-UHFFFAOYSA-N 0 0 443.808 6.889 50 0 IKAARN COc1ccc(Sc2nc(SCc3ccc(Cl)c(Cl)c3)ncc2OC)cc1 ZINC000003133178 569440683 /nfs/dbraw/zinc/44/06/83/569440683.db2.gz IVFUZXWRMIYBNA-UHFFFAOYSA-N 0 0 439.389 6.244 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)cn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003134502 569440704 /nfs/dbraw/zinc/44/07/04/569440704.db2.gz JCEFWCWXBWAXRZ-UHFFFAOYSA-N 0 0 442.771 5.099 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1sccc1OCc1c(Cl)cccc1Cl ZINC000003134818 569440716 /nfs/dbraw/zinc/44/07/16/569440716.db2.gz IZXZFQKCLAQTTR-UHFFFAOYSA-N 0 0 447.170 7.193 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003134491 569440734 /nfs/dbraw/zinc/44/07/34/569440734.db2.gz FDWACRDHYJGSEX-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1OCc1c(Cl)cccc1Cl ZINC000003134822 569440752 /nfs/dbraw/zinc/44/07/52/569440752.db2.gz SMWRCRREDYBUFR-UHFFFAOYSA-N 0 0 446.277 6.905 50 0 IKAARN COc1ccc(Sc2nc(SCc3ccc(Cl)cc3Cl)ncc2OC)cc1 ZINC000003133202 569440754 /nfs/dbraw/zinc/44/07/54/569440754.db2.gz OIJLMBUOKITRGS-UHFFFAOYSA-N 0 0 439.389 6.244 50 0 IKAARN O=C(Nc1ccccc1)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC000003134464 569440755 /nfs/dbraw/zinc/44/07/55/569440755.db2.gz IMFOKIXKOYEFRG-UHFFFAOYSA-N 0 0 440.343 5.187 50 0 IKAARN O=C(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1Br)c1ccc(Cl)cc1 ZINC000003134921 569440766 /nfs/dbraw/zinc/44/07/66/569440766.db2.gz BMCNQIWVUWOWCD-UHFFFAOYSA-N 0 0 429.912 5.215 50 0 IKAARN CCOC(=O)c1ccc(OCc2ccc(COc3ccc(C(=O)OCC)cc3)cc2)cc1 ZINC000003146685 569440919 /nfs/dbraw/zinc/44/09/19/569440919.db2.gz AZLCPPZPXMSHKY-UHFFFAOYSA-N 0 0 434.488 5.198 50 0 biogenic IKAARN O=P1(Nc2ccc(Cl)c(Cl)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003164046 569441094 /nfs/dbraw/zinc/44/10/94/569441094.db2.gz QYHZDAPXWWONSZ-UHFFFAOYSA-N 0 0 428.255 7.711 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)n2)c(C)c1 ZINC000003166590 569441117 /nfs/dbraw/zinc/44/11/17/569441117.db2.gz KTPLZZDDMYEEEZ-UHFFFAOYSA-N 0 0 449.579 7.203 50 0 IKAARN O=C(NCCNc1cccc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003170696 569441185 /nfs/dbraw/zinc/44/11/85/569441185.db2.gz SPTWTBFTWIVWQF-UHFFFAOYSA-N 0 0 438.556 5.596 50 0 IKAARN CCOc1ccccc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000003177121 569441254 /nfs/dbraw/zinc/44/12/54/569441254.db2.gz OEUTZMFXTNGGJN-UHFFFAOYSA-N 0 0 438.247 7.070 50 0 IKAARN CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc21 ZINC000003177424 569441285 /nfs/dbraw/zinc/44/12/85/569441285.db2.gz PTPBKCMQMSZGGF-UHFFFAOYSA-N 0 0 435.307 6.064 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 ZINC000003187476 569441382 /nfs/dbraw/zinc/44/13/82/569441382.db2.gz YIZOHTKEJZRXSL-UHFFFAOYSA-N 0 0 448.931 5.712 50 0 IKAARN CC1=C(C)SC(=c2sc3n(c2=O)[C@H](c2ccccc2)C=C(c2ccc(C)cc2)N=3)S1 ZINC000003192613 569441474 /nfs/dbraw/zinc/44/14/74/569441474.db2.gz SKJZXGBFYINVQM-FQEVSTJZSA-N 0 0 448.638 5.279 50 0 IKAARN O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003192459 569441481 /nfs/dbraw/zinc/44/14/81/569441481.db2.gz LSAZTICJCOBXMW-UHFFFAOYSA-N 0 0 428.538 5.899 50 0 IKAARN O=c1sc2c(s1)SCCSc1sc(=S)sc1SCCS2 ZINC000003194296 569441498 /nfs/dbraw/zinc/44/14/98/569441498.db2.gz IQMLXEOSBMZHFP-UHFFFAOYSA-N 0 0 432.776 6.104 50 0 IKAARN CCOc1ccc(Nc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1 ZINC000003192885 569441523 /nfs/dbraw/zinc/44/15/23/569441523.db2.gz XOVQQCLJOHSCSV-UHFFFAOYSA-N 0 0 429.350 5.425 50 0 IKAARN COc1ccc2nc(N[P@@](C)(=O)c3nc4c(ccc5ccccc45)s3)sc2c1 ZINC000003196186 569441550 /nfs/dbraw/zinc/44/15/50/569441550.db2.gz DQVUEZUQRUOQNZ-SANMLTNESA-N 0 0 425.475 5.713 50 0 IKAARN C[C@H](c1ccccc1)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 ZINC000003202697 569441650 /nfs/dbraw/zinc/44/16/50/569441650.db2.gz QKXQMVQWHWXJSU-JHQYKTOJSA-N 0 0 428.554 7.931 50 0 IKAARN O=P1(NNC(=S)Nc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003205836 569441664 /nfs/dbraw/zinc/44/16/64/569441664.db2.gz UIHWILKTRXDVOZ-UHFFFAOYSA-N 0 0 433.473 5.783 50 0 IKAARN O=C(c1ccccc1)c1ccc(C(=O)n2nc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000003206809 569441706 /nfs/dbraw/zinc/44/17/06/569441706.db2.gz ANCLAVRMFSJCDX-UHFFFAOYSA-N 0 0 428.447 5.167 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003208981 569441746 /nfs/dbraw/zinc/44/17/46/569441746.db2.gz XRAYLJYSTRKVNK-UHFFFAOYSA-N 0 0 437.524 6.645 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccc(Br)c1 ZINC000003213982 569441813 /nfs/dbraw/zinc/44/18/13/569441813.db2.gz IEQWVKKFQAVMLI-UHFFFAOYSA-N 0 0 435.346 6.492 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000003215163 569441824 /nfs/dbraw/zinc/44/18/24/569441824.db2.gz WSYHTCMVERGLNO-UHFFFAOYSA-N 0 0 439.320 5.172 50 0 IKAARN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)n(-c2ccccc2)n1 ZINC000003217009 569441854 /nfs/dbraw/zinc/44/18/54/569441854.db2.gz GDPYUYULDFKPBJ-UHFFFAOYSA-N 0 0 447.951 5.795 50 0 IKAARN O=C1OC(c2cccs2)=N/C1=C\c1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000003216922 569441860 /nfs/dbraw/zinc/44/18/60/569441860.db2.gz QFKPKPPKACJYQD-NKFKGCMQSA-N 0 0 446.531 6.704 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000003216225 569441870 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569445082 /nfs/dbraw/zinc/44/50/82/569445082.db2.gz QKMCWHOUFXRNCG-UHFFFAOYSA-N 0 0 446.528 5.064 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003302273 569445101 /nfs/dbraw/zinc/44/51/01/569445101.db2.gz MHXUDAZADYJOJP-DEOSSOPVSA-N 0 0 440.528 5.474 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccccc3)n2C)c2ccccc2)c1 ZINC000003301611 569445104 /nfs/dbraw/zinc/44/51/04/569445104.db2.gz NSCJKVKBCIMVLO-JOCHJYFZSA-N 0 0 428.561 5.571 50 0 IKAARN O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)c1ccc(Cl)s1 ZINC000003302601 569445113 /nfs/dbraw/zinc/44/51/13/569445113.db2.gz UETHSNSMIPMFDV-UHFFFAOYSA-N 0 0 448.993 6.753 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000003302886 569445128 /nfs/dbraw/zinc/44/51/28/569445128.db2.gz RINNVPVGFHTVHS-UHFFFAOYSA-N 0 0 438.599 5.967 50 0 IKAARN Cc1ccccc1Oc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000003303092 569445130 /nfs/dbraw/zinc/44/51/30/569445130.db2.gz WUIOVQYKKZGCGV-UHFFFAOYSA-N 0 0 439.005 7.226 50 0 IKAARN O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 ZINC000003302959 569445149 /nfs/dbraw/zinc/44/51/49/569445149.db2.gz JIKVTHBREDVVPM-UHFFFAOYSA-N 0 0 432.373 5.384 50 0 IKAARN C[C@H]1CCc2c(sc3[nH]c(COC(=O)c4ccccc4Nc4ccccc4)nc(=O)c23)C1 ZINC000003304208 569445210 /nfs/dbraw/zinc/44/52/10/569445210.db2.gz WKJXGKNNJVJBBK-HNNXBMFYSA-N 0 0 445.544 5.210 50 0 IKAARN O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)NCCC1=CCCCC1 ZINC000003308640 569445308 /nfs/dbraw/zinc/44/53/08/569445308.db2.gz MLCNHCIQKIMGFF-UHFFFAOYSA-N 0 0 426.032 5.415 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000003309406 569445340 /nfs/dbraw/zinc/44/53/40/569445340.db2.gz BJQHZKFIQKALIQ-UHFFFAOYSA-N 0 0 432.945 6.795 50 0 IKAARN COc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000003309301 569445348 /nfs/dbraw/zinc/44/53/48/569445348.db2.gz UNOBACOAXWTFRO-UHFFFAOYSA-N 0 0 447.531 5.367 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C ZINC000003309343 569445365 /nfs/dbraw/zinc/44/53/65/569445365.db2.gz XSUBUXJFAOPPTN-UHFFFAOYSA-N 0 0 446.503 5.019 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)c2ccccc2)c1 ZINC000003310293 569445389 /nfs/dbraw/zinc/44/53/89/569445389.db2.gz DVWSRYGRKWIQHQ-SFHVURJKSA-N 0 0 448.415 6.562 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(Oc4cccc(C(=O)NCc5ccccc5)c4)c32)C1 ZINC000003309730 569445398 /nfs/dbraw/zinc/44/53/98/569445398.db2.gz WOGVHUQPAWPXHY-INIZCTEOSA-N 0 0 429.545 5.538 50 0 IKAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2cc(C)nc3ccccc32)c2ccccc2)c1 ZINC000003315456 569445702 /nfs/dbraw/zinc/44/57/02/569445702.db2.gz JBEJOMJWCYSEPN-DEOSSOPVSA-N 0 0 426.472 5.089 50 0 IKAARN O=C(c1sc(N2CCOCC2)nc1-c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000003315165 569445712 /nfs/dbraw/zinc/44/57/12/569445712.db2.gz KHMGBKXFWGCDBV-UHFFFAOYSA-N 0 0 432.589 5.925 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3sc4cc(OC)ccc4c3Cl)ccc21 ZINC000003315876 569445713 /nfs/dbraw/zinc/44/57/13/569445713.db2.gz YMSZQEVFPYSCQS-UHFFFAOYSA-N 0 0 434.948 6.943 50 0 IKAARN CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000003316641 569445752 /nfs/dbraw/zinc/44/57/52/569445752.db2.gz OTWNWWZHZVUTNU-ZDUSSCGKSA-N 0 0 442.865 5.389 50 0 IKAARN O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003316319 569445770 /nfs/dbraw/zinc/44/57/70/569445770.db2.gz HVCKHTRTJHYIQX-UHFFFAOYSA-N 0 0 426.274 6.705 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)cc1Cl ZINC000003318283 569445791 /nfs/dbraw/zinc/44/57/91/569445791.db2.gz NGKZEOKKIQLHJG-FQEVSTJZSA-N 0 0 440.977 6.430 50 0 IKAARN CCc1ccc(OCc2nnc(SCc3c(F)cccc3Cl)n2CC(C)C)cc1 ZINC000003318164 569445834 /nfs/dbraw/zinc/44/58/34/569445834.db2.gz JUBIISIAPBGHLY-UHFFFAOYSA-N 0 0 433.980 6.160 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 ZINC000003319632 569445855 /nfs/dbraw/zinc/44/58/55/569445855.db2.gz XVSXDALICMZCGO-UHFFFAOYSA-N 0 0 431.491 7.222 50 0 IKAARN C[C@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCCC1=CCCCC1 ZINC000003322925 569446044 /nfs/dbraw/zinc/44/60/44/569446044.db2.gz NUISGSJGTBHPKS-HNNXBMFYSA-N 0 0 439.606 5.139 50 0 IKAARN Cn1c2ccccc2c(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c1-c1ccccc1 ZINC000003321917 569446052 /nfs/dbraw/zinc/44/60/52/569446052.db2.gz YHRKIUAHMFBGBQ-UHFFFAOYSA-N 0 0 445.518 6.552 50 0 IKAARN Cc1cccc(C)c1NC(=O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1O ZINC000003324947 569446138 /nfs/dbraw/zinc/44/61/38/569446138.db2.gz VIKBGRPSSNNHEF-NRFANRHFSA-N 0 0 429.545 5.468 50 0 IKAARN Cc1cccc(C)c1NC(=O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1O ZINC000003324948 569446163 /nfs/dbraw/zinc/44/61/63/569446163.db2.gz VIKBGRPSSNNHEF-OAQYLSRUSA-N 0 0 429.545 5.468 50 0 IKAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003325374 569446204 /nfs/dbraw/zinc/44/62/04/569446204.db2.gz ATWBIKJOXFHHMD-UHFFFAOYSA-N 0 0 438.530 5.137 50 0 IKAARN C[C@@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)N1CCc2ccccc2C1 ZINC000003325294 569446213 /nfs/dbraw/zinc/44/62/13/569446213.db2.gz SBLNOVJRPAWCTB-MRXNPFEDSA-N 0 0 431.586 5.424 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)c(Cl)c1 ZINC000003325456 569446221 /nfs/dbraw/zinc/44/62/21/569446221.db2.gz PMDIMDOBTCOCMA-UHFFFAOYSA-N 0 0 442.949 5.782 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000003326861 569446251 /nfs/dbraw/zinc/44/62/51/569446251.db2.gz SLXNFSBSDWWSMQ-LJQANCHMSA-N 0 0 448.522 6.258 50 0 IKAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc(Br)cc1Cl ZINC000003327072 569446258 /nfs/dbraw/zinc/44/62/58/569446258.db2.gz HPBRPWOHDSZTQJ-UHFFFAOYSA-N 0 0 445.696 5.318 50 0 IKAARN Cc1noc(C)c1CSCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000003328675 569446283 /nfs/dbraw/zinc/44/62/83/569446283.db2.gz XWOQEJGGNFSUMO-UHFFFAOYSA-N 0 0 428.366 5.594 50 0 IKAARN Brc1ccc(-c2nnc(SC[C@H]3CCCO3)n2CCc2ccccc2)cc1 ZINC000003331331 569446482 /nfs/dbraw/zinc/44/64/82/569446482.db2.gz ATTLFRHZBYHTDH-LJQANCHMSA-N 0 0 444.398 5.221 50 0 IKAARN CCCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000003333517 569446525 /nfs/dbraw/zinc/44/65/25/569446525.db2.gz DRIROQZJKOQLSH-UHFFFAOYSA-N 0 0 446.547 7.188 50 0 IKAARN CCNC(=S)Nc1ccc(Cc2ccc(NC(=S)NCC)c(Cl)c2)cc1Cl ZINC000003332605 569446543 /nfs/dbraw/zinc/44/65/43/569446543.db2.gz BNOXRSYYZKMILM-UHFFFAOYSA-N 0 0 441.453 5.197 50 0 IKAARN Cc1sc2ncnc(S[C@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)c2c1C ZINC000003332728 569446569 /nfs/dbraw/zinc/44/65/69/569446569.db2.gz JCMSPTXXALLZIJ-QFIPXVFZSA-N 0 0 429.570 6.506 50 0 IKAARN CCOc1ccc(-n2c(N)c(-c3nc4ccccc4s3)c3c(c2=S)CCCC3)cc1 ZINC000003335069 569446592 /nfs/dbraw/zinc/44/65/92/569446592.db2.gz VXKJLZFKPMQTLJ-UHFFFAOYSA-N 0 0 433.602 6.343 50 0 IKAARN CCOc1ccc2oc(C(=O)N(C3=N[C@H](C)CS3)c3ccc(Cl)cc3)c(C)c2c1 ZINC000003336894 569446670 /nfs/dbraw/zinc/44/66/70/569446670.db2.gz XKGRDGGASQGUNM-CYBMUJFWSA-N 0 0 428.941 5.931 50 0 IKAARN Clc1ccc(-c2nnc(CSc3ncnc4scc(-c5ccccc5)c43)o2)cc1 ZINC000003335986 569446671 /nfs/dbraw/zinc/44/66/71/569446671.db2.gz FZQVYKFEWAULHK-UHFFFAOYSA-N 0 0 436.949 6.354 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)c(Cl)c1 ZINC000003339238 569446748 /nfs/dbraw/zinc/44/67/48/569446748.db2.gz YUYMILATCBTISX-UHFFFAOYSA-N 0 0 439.899 5.748 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)COC(=O)c3cc(C)nc4ccccc43)n2)c(C)c1 ZINC000003340469 569446828 /nfs/dbraw/zinc/44/68/28/569446828.db2.gz CFFURUQQWWRTHR-UHFFFAOYSA-N 0 0 445.544 5.387 50 0 IKAARN Cc1sc2nc(S[C@H](C)C(=O)N(C)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000003340896 569446854 /nfs/dbraw/zinc/44/68/54/569446854.db2.gz DZBKIJXQSWLQAE-QGZVFWFLSA-N 0 0 449.601 5.208 50 0 IKAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3cccc(Br)c3)c2C1 ZINC000003342289 569446910 /nfs/dbraw/zinc/44/69/10/569446910.db2.gz CHDYSZUATNPALX-CQSZACIVSA-N 0 0 438.321 5.162 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)c1ccc(Br)s1 ZINC000003342331 569446922 /nfs/dbraw/zinc/44/69/22/569446922.db2.gz XLLPFIIWNGCMJR-UHFFFAOYSA-N 0 0 431.735 5.058 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1ccc(Cl)cc1)C3 ZINC000058088602 569447004 /nfs/dbraw/zinc/44/70/04/569447004.db2.gz HOIVKTOGSZZCLC-UHFFFAOYSA-N 0 0 445.946 6.006 50 0 biogenic IKAARN Cc1ccc(CN2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)cc1 ZINC000058088571 569447009 /nfs/dbraw/zinc/44/70/09/569447009.db2.gz HGJHYTKJOCPUGX-UHFFFAOYSA-N 0 0 425.528 5.661 50 0 biogenic IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)sc2c1CCCC2 ZINC000003344155 569447041 /nfs/dbraw/zinc/44/70/41/569447041.db2.gz HKZWNLUFBZTVSX-LLVKDONJSA-N 0 0 442.364 5.516 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)o1)NCCC(c1ccccc1)c1ccccc1 ZINC000003344609 569447044 /nfs/dbraw/zinc/44/70/44/569447044.db2.gz GXFREIMBQHBCPX-UHFFFAOYSA-N 0 0 429.545 5.167 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000003345463 569447086 /nfs/dbraw/zinc/44/70/86/569447086.db2.gz YKHXBFGDXVMXSQ-UHFFFAOYSA-N 0 0 430.936 5.584 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2c(c1)OCCO2 ZINC000003346513 569447099 /nfs/dbraw/zinc/44/70/99/569447099.db2.gz VVJGNJWJNSNPOQ-MHZLTWQESA-N 0 0 434.495 5.896 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000003347226 569447174 /nfs/dbraw/zinc/44/71/74/569447174.db2.gz RQPPPNZYFCCLLA-UHFFFAOYSA-N 0 0 428.513 5.581 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1cccc(Oc2ccccc2)c1 ZINC000003346741 569447175 /nfs/dbraw/zinc/44/71/75/569447175.db2.gz PLCUCGOFAJCKGD-UHFFFAOYSA-N 0 0 442.500 5.741 50 0 IKAARN Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3C3CCCCC3)cc(=O)n2c1 ZINC000003348050 569447203 /nfs/dbraw/zinc/44/72/03/569447203.db2.gz PVPSINQSKLFBGN-UHFFFAOYSA-N 0 0 449.555 5.198 50 0 IKAARN C[C@@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003347816 569447219 /nfs/dbraw/zinc/44/72/19/569447219.db2.gz XRFBZUALQNPGEX-HXUWFJFHSA-N 0 0 436.511 6.012 50 0 IKAARN C[C@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003347813 569447232 /nfs/dbraw/zinc/44/72/32/569447232.db2.gz XRFBZUALQNPGEX-FQEVSTJZSA-N 0 0 436.511 6.012 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)=C[C@](C)(c1ccc(Cl)cc1)N2 ZINC000003348820 569447245 /nfs/dbraw/zinc/44/72/45/569447245.db2.gz IIRXKZFVLQOQMX-AREMUKBSSA-N 0 0 446.381 7.260 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)Nc1cccc(C(F)(F)F)c1 ZINC000003351122 569447348 /nfs/dbraw/zinc/44/73/48/569447348.db2.gz PFRCIKGKAYZSQY-UHFFFAOYSA-N 0 0 442.437 5.318 50 0 IKAARN CC(C)c1ccccc1N(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C1=NCCCS1 ZINC000003350807 569447358 /nfs/dbraw/zinc/44/73/58/569447358.db2.gz TZWXEGKZTRPHLB-UHFFFAOYSA-N 0 0 431.001 6.147 50 0 IKAARN CCOc1ccc2oc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)c(C)c2c1 ZINC000003351931 569447410 /nfs/dbraw/zinc/44/74/10/569447410.db2.gz LEYJWLXUGODMKM-UHFFFAOYSA-N 0 0 434.489 6.317 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003356550 569447660 /nfs/dbraw/zinc/44/76/60/569447660.db2.gz XYYQDKAAUJGYHA-UHFFFAOYSA-N 0 0 440.584 5.526 50 0 IKAARN Cc1nn(-c2ccc(C)cc2C)c2nc(-c3cccs3)cc(C(=O)NC3CCCCC3)c12 ZINC000003357990 569447680 /nfs/dbraw/zinc/44/76/80/569447680.db2.gz CVFNXOUCXBAJGR-UHFFFAOYSA-N 0 0 444.604 6.137 50 0 IKAARN Cc1cc2oc(=O)cc(COC(=O)CCCc3nc4ccccc4s3)c2cc1Cl ZINC000003357326 569447681 /nfs/dbraw/zinc/44/76/81/569447681.db2.gz YEBLXJYCCDULDD-UHFFFAOYSA-N 0 0 427.909 5.431 50 0 IKAARN Cc1ccc(C(=O)[C@H](Sc2nnc(NC3CCCCC3)s2)c2ccc(C)cc2)cc1 ZINC000003357939 569447688 /nfs/dbraw/zinc/44/76/88/569447688.db2.gz QWIVBGYIZIYBGO-JOCHJYFZSA-N 0 0 437.634 6.616 50 0 IKAARN COc1cccc(-n2c(SCCCC(=O)c3ccccc3)nc3ccccc3c2=O)c1 ZINC000003358803 569447758 /nfs/dbraw/zinc/44/77/58/569447758.db2.gz SUHVXQKZMUHPGR-UHFFFAOYSA-N 0 0 430.529 5.150 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)c1ccccc1F ZINC000003358813 569447777 /nfs/dbraw/zinc/44/77/77/569447777.db2.gz CKPRIJAGOBIZNH-UHFFFAOYSA-N 0 0 438.911 5.212 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 ZINC000003359650 569447835 /nfs/dbraw/zinc/44/78/35/569447835.db2.gz AGIVQFWWJHXYRS-UHFFFAOYSA-N 0 0 439.353 6.013 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000003361020 569447924 /nfs/dbraw/zinc/44/79/24/569447924.db2.gz UTEOLCWVHQYTJQ-UHFFFAOYSA-N 0 0 449.890 5.595 50 0 IKAARN CCCCCCN(C(=O)COC(=O)c1cccc(O)c1)c1nc(-c2ccccc2)cs1 ZINC000003363692 569448052 /nfs/dbraw/zinc/44/80/52/569448052.db2.gz SQQXNWYYQBZOBA-UHFFFAOYSA-N 0 0 438.549 5.286 50 0 IKAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc(N2CCCC2=O)cc1 ZINC000003364331 569448076 /nfs/dbraw/zinc/44/80/76/569448076.db2.gz QMIZMBAIFQCJEW-UHFFFAOYSA-N 0 0 429.501 5.468 50 0 IKAARN CCOc1ccc(-c2nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)sc2C)cc1 ZINC000003366762 569448135 /nfs/dbraw/zinc/44/81/35/569448135.db2.gz APOGEZXERMFMNA-UHFFFAOYSA-N 0 0 428.557 6.365 50 0 IKAARN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(C)cc1)N1C=C(Cl)C=C(Cl)C1=N2 ZINC000003366181 569448175 /nfs/dbraw/zinc/44/81/75/569448175.db2.gz YEMNVAYACSCOFR-JOCHJYFZSA-N 0 0 435.358 6.449 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CC2)c1C ZINC000003366545 569448179 /nfs/dbraw/zinc/44/81/79/569448179.db2.gz ZNQPDXJHWOFYEW-UHFFFAOYSA-N 0 0 434.967 5.498 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000003367852 569448226 /nfs/dbraw/zinc/44/82/26/569448226.db2.gz JSMUDPPHLAOLDE-UHFFFAOYSA-N 0 0 428.989 5.472 50 0 IKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000058135489 569448373 /nfs/dbraw/zinc/44/83/73/569448373.db2.gz GHFVPNHSFMTSCF-FCHUYYIVSA-N 0 0 436.577 5.529 50 0 IKAARN O=C(Nc1ccc(NC2CCCCC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000058134810 569448383 /nfs/dbraw/zinc/44/83/83/569448383.db2.gz FUOMISMWCORTFW-UHFFFAOYSA-N 0 0 438.531 5.383 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCC2)c(Cl)c1 ZINC000003371583 569448501 /nfs/dbraw/zinc/44/85/01/569448501.db2.gz LZQHUHCLLHTQHI-UHFFFAOYSA-N 0 0 444.963 5.892 50 0 IKAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1nc2ccccc2s1 ZINC000003373054 569448540 /nfs/dbraw/zinc/44/85/40/569448540.db2.gz QDQJEUWQOPNPMD-AWEZNQCLSA-N 0 0 444.557 5.106 50 0 IKAARN CCc1ccc(Nc2nnc(SCc3cc(=O)oc4cc5c(cc34)CCC5)s2)cc1 ZINC000003372865 569448566 /nfs/dbraw/zinc/44/85/66/569448566.db2.gz UZSGTHIRLRJLCG-UHFFFAOYSA-N 0 0 435.574 5.732 50 0 IKAARN C[C@H]1CCCN(Cn2nc(-c3c[nH]c4ccccc34)n(-c3ccc(Cl)cc3)c2=S)C1 ZINC000003377798 569448687 /nfs/dbraw/zinc/44/86/87/569448687.db2.gz AHKLMLSYKNJUSD-INIZCTEOSA-N 0 0 438.000 5.894 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1C ZINC000003379172 569448740 /nfs/dbraw/zinc/44/87/40/569448740.db2.gz OKAARQHDNMJTOA-PWSUYJOCSA-N 0 0 439.368 5.048 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000003387127 569449001 /nfs/dbraw/zinc/44/90/01/569449001.db2.gz LLLIWWPXTYMWBC-UHFFFAOYSA-N 0 0 432.520 6.330 50 0 IKAARN CN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)Cc1c(F)cccc1Cl ZINC000003391154 569449233 /nfs/dbraw/zinc/44/92/33/569449233.db2.gz UTVBYMBGRQZBDJ-UHFFFAOYSA-N 0 0 449.378 6.354 50 0 IKAARN Cc1cc(C)cc(Nc2ccn(-c3nc(-c4ccccc4)oc3-c3ccccc3)c(=O)n2)c1 ZINC000058161670 569449274 /nfs/dbraw/zinc/44/92/74/569449274.db2.gz UMGVOTHRSZGMEK-UHFFFAOYSA-N 0 0 434.499 5.915 50 0 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569449897 /nfs/dbraw/zinc/44/98/97/569449897.db2.gz GDLFNDQLBKOGMB-UHFFFAOYSA-N 0 0 446.554 6.772 50 0 IKAARN Clc1ccccc1-c1nnc(SCc2nnc(-c3cccs3)o2)n1C1CCCC1 ZINC000003408414 569449990 /nfs/dbraw/zinc/44/99/90/569449990.db2.gz LHTLFJDDWIVOOI-UHFFFAOYSA-N 0 0 443.985 6.117 50 0 IKAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1Cc1ccccc1 ZINC000003408545 569449995 /nfs/dbraw/zinc/44/99/95/569449995.db2.gz PXFPPSOMPLCYKE-GOSISDBHSA-N 0 0 444.560 5.546 50 0 IKAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1Cc1ccccc1 ZINC000003408542 569449996 /nfs/dbraw/zinc/44/99/96/569449996.db2.gz PXFPPSOMPLCYKE-SFHVURJKSA-N 0 0 444.560 5.546 50 0 IKAARN Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000003408985 569450003 /nfs/dbraw/zinc/45/00/03/569450003.db2.gz UADLEIZERODWQV-UHFFFAOYSA-N 0 0 435.984 6.258 50 0 IKAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003412440 569450086 /nfs/dbraw/zinc/45/00/86/569450086.db2.gz OULJKUIGVPCSJP-UHFFFAOYSA-N 0 0 443.459 5.002 50 0 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O=S(=O)(c1nc(N(c2ccccc2)c2ccccc2)sc1Cl)c1ccccc1 ZINC000003434945 569451006 /nfs/dbraw/zinc/45/10/06/569451006.db2.gz LFXJCLUEVGWWRS-UHFFFAOYSA-N 0 0 426.950 6.099 50 0 IKAARN O=C(OCc1coc(-c2ccccc2)n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003438261 569451086 /nfs/dbraw/zinc/45/10/86/569451086.db2.gz GMTCYLPBSYSFKA-UHFFFAOYSA-N 0 0 440.886 6.567 50 0 IKAARN Cc1ccc(-c2c3c4c(sc3nc3c2CS(=O)(=O)c2ccc(F)cc2-3)CCC4)cc1 ZINC000003437713 569451104 /nfs/dbraw/zinc/45/11/04/569451104.db2.gz LHECYWAMKKZYCX-UHFFFAOYSA-N 0 0 435.545 5.854 50 0 IKAARN Cc1ccc(-c2nnc(S[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)n2N)cc1 ZINC000003440512 569451217 /nfs/dbraw/zinc/45/12/17/569451217.db2.gz WFDMUUIVCUXOSZ-JOCHJYFZSA-N 0 0 443.576 5.056 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3ccc(N(C)C)cc3)sc2-c2ccc(C)cc2)cc1 ZINC000003440737 569451253 /nfs/dbraw/zinc/45/12/53/569451253.db2.gz WIQDTYHHKKGBHC-UHFFFAOYSA-N 0 0 427.573 6.412 50 0 IKAARN O=C(OCc1coc(-c2cccs2)n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003446057 569451386 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COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000003461154 569451944 /nfs/dbraw/zinc/45/19/44/569451944.db2.gz XEVCVGVOIHSRMR-DEDYPNTBSA-N 0 0 447.874 5.221 50 0 IKAARN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc(-c2ccccc2)n1 ZINC000003469861 569452040 /nfs/dbraw/zinc/45/20/40/569452040.db2.gz WGXWHNVYWZDFFW-UHFFFAOYSA-N 0 0 447.416 6.688 50 0 IKAARN CSc1ccc(Cl)c(C(=O)OCc2nnc(-c3ccccc3Br)o2)c1 ZINC000003474331 569452144 /nfs/dbraw/zinc/45/21/44/569452144.db2.gz DEUBMVZRVPYELR-UHFFFAOYSA-N 0 0 439.718 5.231 50 0 IKAARN Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000003477770 569452206 /nfs/dbraw/zinc/45/22/06/569452206.db2.gz BOFGHVOFHNWQFH-KSFYIVLOSA-N 0 0 430.581 5.635 50 0 IKAARN Cn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1F ZINC000003477845 569452211 /nfs/dbraw/zinc/45/22/11/569452211.db2.gz VMBQTIFAAYSXJV-UHFFFAOYSA-N 0 0 434.496 5.144 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000003509920 569452954 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Fc1ccccc1-c1nnc(SCc2nnc(-c3cccs3)o2)n1Cc1ccccc1 ZINC000003536007 569453507 /nfs/dbraw/zinc/45/35/07/569453507.db2.gz VJUBZZAEWJQORR-UHFFFAOYSA-N 0 0 449.536 5.536 50 0 IKAARN COc1ccc(C)cc1N(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000003547598 569453758 /nfs/dbraw/zinc/45/37/58/569453758.db2.gz HMUSSOYUGYSGCC-OAQYLSRUSA-N 0 0 432.501 5.118 50 0 IKAARN CSc1cccc(NC(=O)CSc2ncccc2C(=O)Oc2ccccc2Cl)c1 ZINC000003587823 569454490 /nfs/dbraw/zinc/45/44/90/569454490.db2.gz BQFBDOGQEYNTEI-UHFFFAOYSA-N 0 0 444.965 5.407 50 0 IKAARN Cc1cc(C)c(NC(=S)N(Cc2cn(C)c3ccccc23)Cc2ccccc2)c(C)c1 ZINC000003585944 569454492 /nfs/dbraw/zinc/45/44/92/569454492.db2.gz YQQQSMGAWIWQBX-UHFFFAOYSA-N 0 0 427.617 6.503 50 0 IKAARN O=C(NCCc1ccccc1)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003586192 569454532 /nfs/dbraw/zinc/45/45/32/569454532.db2.gz LSXOCBLYZGCZHE-UHFFFAOYSA-N 0 0 435.449 5.970 50 0 IKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cncc(Br)c1 ZINC000031182667 569454570 /nfs/dbraw/zinc/45/45/70/569454570.db2.gz XOGIEZKZIXSRFY-UHFFFAOYSA-N 0 0 428.233 5.239 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Cl)ccc4O)cc3n2)cc1 ZINC000003629466 569455193 /nfs/dbraw/zinc/45/51/93/569455193.db2.gz ATFJANFITRZCND-UHFFFAOYSA-N 0 0 446.816 5.335 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3n2)cc1 ZINC000003629604 569455221 /nfs/dbraw/zinc/45/52/21/569455221.db2.gz MWESQDDVNVZIFC-UHFFFAOYSA-N 0 0 440.425 5.293 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)(C)CC(C)(C)C)cc3n2)cc1 ZINC000003629675 569455237 /nfs/dbraw/zinc/45/52/37/569455237.db2.gz FKZOZIHJOGQSEQ-UHFFFAOYSA-N 0 0 432.490 5.668 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000031265825 569455316 /nfs/dbraw/zinc/45/53/16/569455316.db2.gz DCQGWUUIKPZMFD-UHFFFAOYSA-N 0 0 428.517 6.015 50 0 IKAARN Cc1cccc(C)c1-n1c2[nH]c(=S)n(-c3c(C)cccc3C)c(=O)c2sc1=S ZINC000003632913 569455436 /nfs/dbraw/zinc/45/54/36/569455436.db2.gz IXXJINRBYFDWOY-UHFFFAOYSA-N 0 0 425.604 5.864 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000003635143 569455458 /nfs/dbraw/zinc/45/54/58/569455458.db2.gz BAORTXSCOJTBTM-HSZRJFAPSA-N 0 0 425.575 5.010 50 0 IKAARN CCc1ccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000003642497 569455586 /nfs/dbraw/zinc/45/55/86/569455586.db2.gz ITYUIYYGOZQBNL-BJKOFHAPSA-N 0 0 425.536 5.148 50 0 IKAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3Cl)c3ccccc3C(=O)N2C)cc1 ZINC000003657698 569455794 /nfs/dbraw/zinc/45/57/94/569455794.db2.gz GRWUHAUYAFUWOP-VXKWHMMOSA-N 0 0 438.886 5.037 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000003657616 569455802 /nfs/dbraw/zinc/45/58/02/569455802.db2.gz IMPHJMWQTCDAFO-LEWJYISDSA-N 0 0 426.850 5.167 50 0 IKAARN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000003655932 569455806 /nfs/dbraw/zinc/45/58/06/569455806.db2.gz SWXAYJLOFUUKBU-UHFFFAOYSA-N 0 0 439.353 5.806 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000003657614 569455824 /nfs/dbraw/zinc/45/58/24/569455824.db2.gz IMPHJMWQTCDAFO-SFTDATJTSA-N 0 0 426.850 5.167 50 0 IKAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003658387 569455852 /nfs/dbraw/zinc/45/58/52/569455852.db2.gz ZZFRFEZXQUGJIU-UHFFFAOYSA-N 0 0 432.476 5.184 50 0 IKAARN Cc1ccc(Sc2cc(C(=O)NCCc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000003658332 569455889 /nfs/dbraw/zinc/45/58/89/569455889.db2.gz PCXOWLOFHHUCTF-UHFFFAOYSA-N 0 0 432.976 6.320 50 0 IKAARN COc1ccc([C@@H]2[C@@H](C(=O)N(C)c3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003661017 569455893 /nfs/dbraw/zinc/45/58/93/569455893.db2.gz HBBWJLHBJYUNGP-IZZNHLLZSA-N 0 0 442.559 5.392 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000003661887 569455983 /nfs/dbraw/zinc/45/59/83/569455983.db2.gz QJFBVFJNFVHMEO-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Fc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000003666861 569456067 /nfs/dbraw/zinc/45/60/67/569456067.db2.gz TWTRVBJKTOOQTL-RWEWTDSWSA-N 0 0 438.911 6.019 50 0 IKAARN CCOc1ccccc1-c1noc(CSCC(=O)N[C@H](C)c2ccc3ccccc3c2)n1 ZINC000031419729 569456391 /nfs/dbraw/zinc/45/63/91/569456391.db2.gz QNNHPOMZTGRWSV-QGZVFWFLSA-N 0 0 447.560 5.399 50 0 IKAARN Cc1cc(C)c(NC(=O)CCCSCc2coc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000031423728 569456449 /nfs/dbraw/zinc/45/64/49/569456449.db2.gz VEWCBIJEGPVPTQ-UHFFFAOYSA-N 0 0 428.985 6.572 50 0 IKAARN Cc1sc2ncn(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)c(=O)c2c1C ZINC000031628164 569456943 /nfs/dbraw/zinc/45/69/43/569456943.db2.gz KRXRISSLBSHTPY-UHFFFAOYSA-N 0 0 434.952 5.175 50 0 IKAARN O=C1C=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000003953749 569457256 /nfs/dbraw/zinc/45/72/56/569457256.db2.gz QCTKLYYXMZRDRF-UHFFFAOYSA-N 0 0 448.478 6.140 50 0 IKAARN CCCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000031806746 569457490 /nfs/dbraw/zinc/45/74/90/569457490.db2.gz CKUMXVNYXSLOMW-UHFFFAOYSA-N 0 0 428.576 5.413 50 0 IKAARN 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 ZINC000003999421 569457565 /nfs/dbraw/zinc/45/75/65/569457565.db2.gz AYNSZTKDERUHKJ-HPSOMAPOSA-N 0 0 431.620 5.198 50 0 biogenic IKAARN Cc1nc(NC(=O)c2cc(-c3ccc(C)cc3)on2)sc1-c1nc(-c2ccccc2)no1 ZINC000031814658 569457929 /nfs/dbraw/zinc/45/79/29/569457929.db2.gz SSTRUJIJOOXFOT-UHFFFAOYSA-N 0 0 443.488 5.384 50 0 IKAARN COc1ccc(-c2noc(-c3sc(NC(=O)c4cccc(Cl)c4)nc3C)n2)cc1 ZINC000031813811 569457940 /nfs/dbraw/zinc/45/79/40/569457940.db2.gz VWBIXMSBRODUTO-UHFFFAOYSA-N 0 0 426.885 5.083 50 0 IKAARN CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3OC)c3ccccn32)cc1 ZINC000031848339 569458095 /nfs/dbraw/zinc/45/80/95/569458095.db2.gz SPRNBGHVSQAJTJ-UHFFFAOYSA-N 0 0 441.531 5.356 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(OC)cc3OC)n2)cc1 ZINC000004015917 569458193 /nfs/dbraw/zinc/45/81/93/569458193.db2.gz VBAADFORZVGCOC-UHFFFAOYSA-N 0 0 440.503 5.282 50 0 IKAARN Cc1cc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1Cl ZINC000031903673 569458351 /nfs/dbraw/zinc/45/83/51/569458351.db2.gz KTEMSOOIKWCOFH-GOSISDBHSA-N 0 0 439.987 5.582 50 0 IKAARN CCCCCC1CCC(c2nnc(SCCN3C(=O)c4ccccc4C3=O)o2)CC1 ZINC000004036523 569458353 /nfs/dbraw/zinc/45/83/53/569458353.db2.gz XKHWLONMNLSZSD-UHFFFAOYSA-N 0 0 427.570 5.312 50 0 IKAARN CCC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@@]1(C(C)C)CCOC(C)(C)C1 ZINC000004061067 569458517 /nfs/dbraw/zinc/45/85/17/569458517.db2.gz DJQRMWXMCYDMSW-AREMUKBSSA-N 0 0 431.617 5.751 50 0 biogenic IKAARN Cc1nc(C)c(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)s1 ZINC000032001034 569458682 /nfs/dbraw/zinc/45/86/82/569458682.db2.gz RDHMRTLAWILSPY-UHFFFAOYSA-N 0 0 432.014 5.100 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000004089682 569458845 /nfs/dbraw/zinc/45/88/45/569458845.db2.gz FOQFKGTYUJJQAV-UHFFFAOYSA-N 0 0 447.560 5.161 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000004090939 569458932 /nfs/dbraw/zinc/45/89/32/569458932.db2.gz JZXZUUJOISVGBQ-SDNWHVSQSA-N 0 0 449.963 5.427 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2)c1 ZINC000004090484 569458933 /nfs/dbraw/zinc/45/89/33/569458933.db2.gz GYXYUAIQYYMXDS-UHFFFAOYSA-N 0 0 431.561 5.498 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000004090933 569458936 /nfs/dbraw/zinc/45/89/36/569458936.db2.gz AEAGXKRHDZILDX-LFYBBSHMSA-N 0 0 434.908 5.070 50 0 IKAARN CC(C)(C)c1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 ZINC000004110099 569459102 /nfs/dbraw/zinc/45/91/02/569459102.db2.gz LHZROEZDRZDWCS-UHFFFAOYSA-N 0 0 449.019 6.688 50 0 IKAARN O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000032070847 569459203 /nfs/dbraw/zinc/45/92/03/569459203.db2.gz MVLCEDCIWYTJGW-NRFANRHFSA-N 0 0 427.533 5.084 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000032072538 569459287 /nfs/dbraw/zinc/45/92/87/569459287.db2.gz YBZVMXVYYSMZIS-INIZCTEOSA-N 0 0 448.832 5.702 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000032074296 569459329 /nfs/dbraw/zinc/45/93/29/569459329.db2.gz OCUVBIHPHBJQQR-MRXNPFEDSA-N 0 0 448.832 5.702 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3cnccc3o2)ccc1Cl ZINC000032088625 569459480 /nfs/dbraw/zinc/45/94/80/569459480.db2.gz XUDCJYUUAPLNPO-UHFFFAOYSA-N 0 0 429.863 5.957 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1 ZINC000032088506 569459505 /nfs/dbraw/zinc/45/95/05/569459505.db2.gz YMAXNEMNTKDPDH-UHFFFAOYSA-N 0 0 429.863 5.957 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000032091463 569459580 /nfs/dbraw/zinc/45/95/80/569459580.db2.gz NMPORSDIODYOGW-INIZCTEOSA-N 0 0 434.805 5.394 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032091948 569459638 /nfs/dbraw/zinc/45/96/38/569459638.db2.gz HKFSEVXCUHOLRE-MRXNPFEDSA-N 0 0 448.832 5.702 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc(C)c(C)c2)c(OC)c1OC ZINC000004118532 569459651 /nfs/dbraw/zinc/45/96/51/569459651.db2.gz YZFTUOVKZJKZIL-QHCPKHFHSA-N 0 0 434.511 5.824 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1Cl ZINC000032092192 569459671 /nfs/dbraw/zinc/45/96/71/569459671.db2.gz MMYLWYHSGACQNT-OAHLLOKOSA-N 0 0 433.270 5.476 50 0 IKAARN O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000032095237 569459850 /nfs/dbraw/zinc/45/98/50/569459850.db2.gz TZJCAPTUMKRFOL-NRFANRHFSA-N 0 0 431.561 5.224 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3O)oc2c(C)c1 ZINC000004122961 569460010 /nfs/dbraw/zinc/46/00/10/569460010.db2.gz IGJVIQJYWSFAFQ-UHFFFAOYSA-N 0 0 445.544 5.561 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 ZINC000004122979 569460025 /nfs/dbraw/zinc/46/00/25/569460025.db2.gz AGHPXKFCVQYSGU-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000032101575 569460055 /nfs/dbraw/zinc/46/00/55/569460055.db2.gz COCGQFYEWPFTAT-HSZRJFAPSA-N 0 0 432.495 5.182 50 0 IKAARN CC(C)c1ccc2c(c1)[C@]1(CC(=O)Nc3c1cnn3-c1ccc(C(F)(F)F)cc1)C(=O)N2 ZINC000032105561 569460264 /nfs/dbraw/zinc/46/02/64/569460264.db2.gz MGSROIBHBGPMDK-QFIPXVFZSA-N 0 0 440.425 5.244 50 0 IKAARN COC(=O)c1ccccc1CSc1nnc(-c2ccco2)n1-c1cc(Cl)ccc1C ZINC000004145543 569460407 /nfs/dbraw/zinc/46/04/07/569460407.db2.gz TXILJCOTPWNOIL-UHFFFAOYSA-N 0 0 439.924 5.568 50 0 IKAARN Fc1cc(F)cc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2Cl)c1 ZINC000004146079 569460477 /nfs/dbraw/zinc/46/04/77/569460477.db2.gz NFYAXTMMOIGTNN-UHFFFAOYSA-N 0 0 448.325 6.812 50 0 IKAARN Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2Cl)c1 ZINC000004146066 569460501 /nfs/dbraw/zinc/46/05/01/569460501.db2.gz GCIVSYMEERXNHH-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000004146128 569460520 /nfs/dbraw/zinc/46/05/20/569460520.db2.gz ZVMLZWVMGKEKJP-UHFFFAOYSA-N 0 0 440.450 5.323 50 0 IKAARN Cc1ccc(C(=O)N(CCc2csc3nc(-c4ccccc4)cn23)C[C@H]2CCCO2)cc1 ZINC000004157878 569460532 /nfs/dbraw/zinc/46/05/32/569460532.db2.gz FUUASJRMMWKSDL-HSZRJFAPSA-N 0 0 445.588 5.235 50 0 IKAARN CCOC(=O)CNc1c(-c2ccc(Cl)c(Cl)c2)nc2ccc(Br)cn21 ZINC000004155477 569460575 /nfs/dbraw/zinc/46/05/75/569460575.db2.gz QCKCPWOCMCXMGY-UHFFFAOYSA-N 0 0 443.128 5.046 50 0 IKAARN NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)sc2c1CCCC2 ZINC000004177257 569460600 /nfs/dbraw/zinc/46/06/00/569460600.db2.gz XQWWLMNOTZTSMW-UHFFFAOYSA-N 0 0 447.000 5.444 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3C)c2C(N)=O)C1 ZINC000004177370 569460681 /nfs/dbraw/zinc/46/06/81/569460681.db2.gz CHVKSBAXWMKKBE-CQSZACIVSA-N 0 0 434.989 5.121 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3C)c2C(N)=O)C1 ZINC000004177371 569460692 /nfs/dbraw/zinc/46/06/92/569460692.db2.gz CHVKSBAXWMKKBE-AWEZNQCLSA-N 0 0 434.989 5.121 50 0 IKAARN Cc1cccc(-n2c(SCc3c(F)cccc3Cl)nnc2-c2ccc(F)cc2)c1 ZINC000004184692 569460721 /nfs/dbraw/zinc/46/07/21/569460721.db2.gz YJEYGKCSPPGTQS-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN COC(=O)c1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000004185658 569460732 /nfs/dbraw/zinc/46/07/32/569460732.db2.gz DOAQUZRKGWJYIN-UHFFFAOYSA-N 0 0 449.963 5.975 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(F)cc3F)nnc2-c2ccccc2OC)cc1 ZINC000004184038 569460740 /nfs/dbraw/zinc/46/07/40/569460740.db2.gz LVRSDFZQISTCTI-UHFFFAOYSA-N 0 0 439.487 5.522 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2-c2ccc(C)cc2)cc1OC ZINC000004184778 569460760 /nfs/dbraw/zinc/46/07/60/569460760.db2.gz ZCEUWOHVVAXVRW-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1ccccc1-n1c(SCc2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC000004185996 569460786 /nfs/dbraw/zinc/46/07/86/569460786.db2.gz OUHURPWILFTOSX-UHFFFAOYSA-N 0 0 431.439 5.847 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 ZINC000004186213 569460813 /nfs/dbraw/zinc/46/08/13/569460813.db2.gz MXWQPSGJGCNDMT-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN O=C(COC(=O)c1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)cc1 ZINC000004196510 569460833 /nfs/dbraw/zinc/46/08/33/569460833.db2.gz MJGABMKGSLMHMQ-UHFFFAOYSA-N 0 0 447.288 5.099 50 0 IKAARN CC[C@H](C)N(Cc1cccc(OS(C)(=O)=O)c1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000004197872 569460834 /nfs/dbraw/zinc/46/08/34/569460834.db2.gz CFRBIAHWAGXZBE-IBGZPJMESA-N 0 0 437.561 5.133 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3C)n2-c2ccccc2C)c1 ZINC000004209023 569460997 /nfs/dbraw/zinc/46/09/97/569460997.db2.gz HFDNLZLCLUNLMN-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN Fc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000004209066 569461007 /nfs/dbraw/zinc/46/10/07/569461007.db2.gz NBVCGYYELMXNHU-UHFFFAOYSA-N 0 0 440.341 6.128 50 0 IKAARN Cc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F ZINC000004212080 569461022 /nfs/dbraw/zinc/46/10/22/569461022.db2.gz DFGKYXIJAFOKBX-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000032307192 569461090 /nfs/dbraw/zinc/46/10/90/569461090.db2.gz RLVKXBBBKSBTEN-NRFANRHFSA-N 0 0 443.591 5.057 50 0 IKAARN CCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(CCCCC)cn3)cc2)cc1 ZINC000004254754 569461384 /nfs/dbraw/zinc/46/13/84/569461384.db2.gz VUGTULGKHBGLFJ-UHFFFAOYSA-N 0 0 430.592 7.303 50 0 IKAARN Cc1ccc(C(=O)N(CCN2C(=O)c3cccc4cccc(c43)C2=O)c2ccccc2C)cc1 ZINC000004258201 569461490 /nfs/dbraw/zinc/46/14/90/569461490.db2.gz UZGYBUJQOHFBNR-UHFFFAOYSA-N 0 0 448.522 5.400 50 0 IKAARN CC(C)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000004283505 569461787 /nfs/dbraw/zinc/46/17/87/569461787.db2.gz WSPFRKHSRNHUCM-UHFFFAOYSA-N 0 0 427.136 5.353 50 0 IKAARN Cc1ccc([C@H]2c3ccccc3OC(c3ccccc3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000038203783 569462316 /nfs/dbraw/zinc/46/23/16/569462316.db2.gz OMSYJNKSEPXPBZ-AMCKHAKVSA-N 0 0 441.577 6.803 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000008310629 569462565 /nfs/dbraw/zinc/46/25/65/569462565.db2.gz OTBQGSXPKGKIKH-OAQYLSRUSA-N 0 0 425.532 5.334 50 0 IKAARN c1ccc(Cn2c(CNc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1 ZINC000008310918 569462566 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CCc1cc([C@@H](Nc2ccccn2)c2ccc(SC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547866 569463989 /nfs/dbraw/zinc/46/39/89/569463989.db2.gz YMZRIRNQRVKHIV-QFIPXVFZSA-N 0 0 449.601 6.474 50 0 IKAARN CCc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038552465 569464004 /nfs/dbraw/zinc/46/40/04/569464004.db2.gz POVWTLCOXQGVGY-IBGZPJMESA-N 0 0 438.578 5.826 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2n2ccnc2)cc1 ZINC000008411893 569464067 /nfs/dbraw/zinc/46/40/67/569464067.db2.gz ZIOIBHAAUMBAQT-BJKOFHAPSA-N 0 0 433.342 6.397 50 0 IKAARN O=C(Nc1ccccc1Br)c1csc(-c2ccccc2)c1-c1ccccc1 ZINC000008426259 569464166 /nfs/dbraw/zinc/46/41/66/569464166.db2.gz VASSLBNSGOEVFH-UHFFFAOYSA-N 0 0 434.358 7.097 50 0 IKAARN CCC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)cc1 ZINC000008433166 569464286 /nfs/dbraw/zinc/46/42/86/569464286.db2.gz RWJAUQVKBTUOOS-UHFFFAOYSA-N 0 0 436.536 7.410 50 0 IKAARN CCc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000008439621 569464314 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Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O ZINC000067209365 569464834 /nfs/dbraw/zinc/46/48/34/569464834.db2.gz OICLUMTXOCFIBB-UHFFFAOYSA-N 0 0 449.601 5.610 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nc2ccsc2c1=O ZINC000067209164 569464835 /nfs/dbraw/zinc/46/48/35/569464835.db2.gz NRZWGWRLORZTJD-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN COc1ccc(-c2c3c(nc4sc5c(ncn(-c6ccccc6)c5=O)c42)CCC3)cc1 ZINC000008450767 569464842 /nfs/dbraw/zinc/46/48/42/569464842.db2.gz FQKXSIUCLIMOBX-UHFFFAOYSA-N 0 0 425.513 5.160 50 0 IKAARN CC[C@@]12C=C(Sc3ccc(Cl)cc3)C[C@@]1(C)C=C(Sc1ccc(Cl)cc1)C2 ZINC000008448371 569464853 /nfs/dbraw/zinc/46/48/53/569464853.db2.gz QUSWFYMBPHQHAJ-DHIUTWEWSA-N 0 0 433.469 8.856 50 0 IKAARN Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(c(-c4cccnc4)c12)CCCC3 ZINC000008448690 569464889 /nfs/dbraw/zinc/46/48/89/569464889.db2.gz AKPNKHHESZAFSK-UHFFFAOYSA-N 0 0 443.616 6.218 50 0 IKAARN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=Nc1ccccc1 ZINC000008450440 569464895 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CC(C)COc1cccc(-c2cc(C(=O)Nc3cc(C(C)(C)C)on3)c3ccccc3n2)c1 ZINC000008454564 569465158 /nfs/dbraw/zinc/46/51/58/569465158.db2.gz QRMVRZUMIXOJQS-UHFFFAOYSA-N 0 0 443.547 6.474 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nccn2nc(-c3ccccc3C)cc12 ZINC000038651822 569465741 /nfs/dbraw/zinc/46/57/41/569465741.db2.gz JJSFYWDUOXQGKY-UHFFFAOYSA-N 0 0 426.545 6.269 50 0 IKAARN CCOc1ccccc1-c1noc(-c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 ZINC000067245283 569465864 /nfs/dbraw/zinc/46/58/64/569465864.db2.gz XDMCCZIBPUDOQG-UHFFFAOYSA-N 0 0 437.499 5.723 50 0 IKAARN COc1ccccc1-c1noc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n1 ZINC000067245393 569465888 /nfs/dbraw/zinc/46/58/88/569465888.db2.gz XJXWWZKGMXKNAW-UHFFFAOYSA-N 0 0 429.863 5.370 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)c(F)c3)no2)cn1-c1ccc(F)cc1 ZINC000067245383 569465892 /nfs/dbraw/zinc/46/58/92/569465892.db2.gz LUUQNVZNGKSTGU-UHFFFAOYSA-N 0 0 435.817 5.639 50 0 IKAARN CCOc1ccccc1-c1noc(-c2cn(-c3cccc(Cl)c3)c(=O)c3ccccc23)n1 ZINC000067245447 569465906 /nfs/dbraw/zinc/46/59/06/569465906.db2.gz OGGSXROIJBMSRD-UHFFFAOYSA-N 0 0 443.890 5.760 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1 ZINC000067258510 569466135 /nfs/dbraw/zinc/46/61/35/569466135.db2.gz VAPKOYSAQMNOJN-UHFFFAOYSA-N 0 0 449.019 6.688 50 0 IKAARN O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccccc1Cl ZINC000067258528 569466140 /nfs/dbraw/zinc/46/61/40/569466140.db2.gz ZVSJGIAJEBCVHZ-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1ccccc1Cl ZINC000067258533 569466149 /nfs/dbraw/zinc/46/61/49/569466149.db2.gz QIAJKKGASRMQIF-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccccc1Cl ZINC000067258540 569466169 /nfs/dbraw/zinc/46/61/69/569466169.db2.gz IJINCTOJENTSSE-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2C(F)(F)F)cc1 ZINC000067258871 569466180 /nfs/dbraw/zinc/46/61/80/569466180.db2.gz AKLMASBPNKKPEP-UHFFFAOYSA-N 0 0 442.462 5.705 50 0 IKAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000067259138 569466211 /nfs/dbraw/zinc/46/62/11/569466211.db2.gz CUTVTDOPWIFEMJ-UHFFFAOYSA-N 0 0 436.499 5.523 50 0 IKAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2Cl)c1 ZINC000067259241 569466218 /nfs/dbraw/zinc/46/62/18/569466218.db2.gz GRUYEIWIGSPNNY-UHFFFAOYSA-N 0 0 426.900 5.479 50 0 IKAARN O=c1c2oc3ccccc3c2nc(SCc2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000067259789 569466231 /nfs/dbraw/zinc/46/62/31/569466231.db2.gz MZFFPAKNWZNEAO-UHFFFAOYSA-N 0 0 442.496 5.212 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccc(Cl)cc1 ZINC000067259584 569466239 /nfs/dbraw/zinc/46/62/39/569466239.db2.gz UUJWRHGSLVALLX-UHFFFAOYSA-N 0 0 427.356 6.044 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1cccs1 ZINC000067259535 569466267 /nfs/dbraw/zinc/46/62/67/569466267.db2.gz QNBPGYCFZBMLBT-UHFFFAOYSA-N 0 0 432.492 5.817 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1Cc1ccc(Cl)cc1 ZINC000067259574 569466275 /nfs/dbraw/zinc/46/62/75/569466275.db2.gz DIHSIQROHRNREE-UHFFFAOYSA-N 0 0 436.920 5.119 50 0 IKAARN O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccccc1F ZINC000067259912 569466317 /nfs/dbraw/zinc/46/63/17/569466317.db2.gz NIRGSWVCCCXCIS-UHFFFAOYSA-N 0 0 434.920 5.730 50 0 IKAARN C=Cc1ccc(Cn2cnc3sc(-c4nc(-c5cccc(C)c5)no4)c(C)c3c2=O)cc1 ZINC000067260280 569466321 /nfs/dbraw/zinc/46/63/21/569466321.db2.gz YSOPZADCDYKOED-UHFFFAOYSA-N 0 0 440.528 5.483 50 0 IKAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(Cc3ccccc3)c(=O)c12 ZINC000067260418 569466352 /nfs/dbraw/zinc/46/63/52/569466352.db2.gz DPTHTDXPIOKOSS-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000067260396 569466356 /nfs/dbraw/zinc/46/63/56/569466356.db2.gz HUIUWWDSKJHZDH-UHFFFAOYSA-N 0 0 440.937 5.247 50 0 IKAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(Cc3ccc(C)cc3)c(=O)c12 ZINC000067260326 569466374 /nfs/dbraw/zinc/46/63/74/569466374.db2.gz LUEPUBQXNIMRGK-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5cccc(F)c5)n4ccn3n2)cc1 ZINC000067260691 569466416 /nfs/dbraw/zinc/46/64/16/569466416.db2.gz PLYCLCZGWBNTBZ-UHFFFAOYSA-N 0 0 447.539 5.654 50 0 IKAARN Fc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c(Cl)c1 ZINC000067261489 569466522 /nfs/dbraw/zinc/46/65/22/569466522.db2.gz ODECXGRAONSSAQ-UHFFFAOYSA-N 0 0 438.293 6.003 50 0 IKAARN Fc1ccc(-c2nnn3c2nc(NCc2ccc(C(F)(F)F)cc2)c2ccccc23)cc1 ZINC000067261405 569466523 /nfs/dbraw/zinc/46/65/23/569466523.db2.gz YDYQEZWJLLXOBA-UHFFFAOYSA-N 0 0 437.400 5.715 50 0 IKAARN CCCOc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)cc1 ZINC000067261388 569466528 /nfs/dbraw/zinc/46/65/28/569466528.db2.gz DNMDNNNNHWOFDU-UHFFFAOYSA-N 0 0 427.483 5.485 50 0 IKAARN COc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c(OC)c1 ZINC000067261466 569466535 /nfs/dbraw/zinc/46/65/35/569466535.db2.gz ITRVMKFMCKAPGR-UHFFFAOYSA-N 0 0 445.910 5.227 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1(c2cccs2)CCCC1 ZINC000038677778 569466564 /nfs/dbraw/zinc/46/65/64/569466564.db2.gz BMJMMIDQICFYGX-UHFFFAOYSA-N 0 0 430.573 5.792 50 0 IKAARN COc1ccc([C@@H](C)Nc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1OC ZINC000067262216 569466611 /nfs/dbraw/zinc/46/66/11/569466611.db2.gz KPRLHCXXWUSWNV-MRXNPFEDSA-N 0 0 425.492 5.135 50 0 IKAARN Brc1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c1 ZINC000067262198 569466615 /nfs/dbraw/zinc/46/66/15/569466615.db2.gz CMCIYYMMUSWHTH-UHFFFAOYSA-N 0 0 430.309 5.319 50 0 IKAARN Brc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067262199 569466621 /nfs/dbraw/zinc/46/66/21/569466621.db2.gz PYNFGFLNCFPFPS-UHFFFAOYSA-N 0 0 430.309 5.319 50 0 IKAARN COc1ccc2nc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2c1 ZINC000008496163 569466665 /nfs/dbraw/zinc/46/66/65/569466665.db2.gz AKXGUYREHSOTQD-UHFFFAOYSA-N 0 0 429.295 5.580 50 0 IKAARN Clc1cccc(-c2nnn3c2nc(N2CC=C(c4ccccc4)CC2)c2ccccc23)c1 ZINC000067262691 569466684 /nfs/dbraw/zinc/46/66/84/569466684.db2.gz ISGBSAOYUNOUOV-UHFFFAOYSA-N 0 0 437.934 5.892 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000067288491 569467450 /nfs/dbraw/zinc/46/74/50/569467450.db2.gz BIQLQUOVNIROCO-UHFFFAOYSA-N 0 0 431.433 5.631 50 0 IKAARN COc1ccc([C@@H](C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1OC ZINC000067288513 569467479 /nfs/dbraw/zinc/46/74/79/569467479.db2.gz FWTDAPZDQNSJDI-MRXNPFEDSA-N 0 0 437.515 5.190 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1C ZINC000067289701 569467508 /nfs/dbraw/zinc/46/75/08/569467508.db2.gz CCQNOMDABBSTSZ-UHFFFAOYSA-N 0 0 436.968 5.706 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1 ZINC000067290429 569467588 /nfs/dbraw/zinc/46/75/88/569467588.db2.gz VQYKUJCXWCAUJI-UHFFFAOYSA-N 0 0 438.940 5.179 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067292971 569467718 /nfs/dbraw/zinc/46/77/18/569467718.db2.gz IJUOCEFZLZYOPO-UZGAPFOWSA-N 0 0 435.282 5.020 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1Cl ZINC000067292969 569467760 /nfs/dbraw/zinc/46/77/60/569467760.db2.gz QSEOKLVVWORWFY-IAIVQWBNSA-N 0 0 435.282 5.020 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1Cl ZINC000067292966 569467770 /nfs/dbraw/zinc/46/77/70/569467770.db2.gz QSEOKLVVWORWFY-UZGAPFOWSA-N 0 0 435.282 5.020 50 0 IKAARN Cc1c(Cl)cccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067293036 569467780 /nfs/dbraw/zinc/46/77/80/569467780.db2.gz MIWACRGODGODCU-DAAIQYDRSA-N 0 0 431.319 5.189 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3C(F)(F)F)oc21 ZINC000067293574 569467802 /nfs/dbraw/zinc/46/78/02/569467802.db2.gz LXCIBGBNYBBNLF-SLMZUGIISA-N 0 0 439.393 5.340 50 0 IKAARN Cc1ccc(Cl)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067293052 569467826 /nfs/dbraw/zinc/46/78/26/569467826.db2.gz NVZUXLDCAPHBRT-LYYOGKFUSA-N 0 0 431.319 5.189 50 0 IKAARN Cc1c(Cl)cccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067293039 569467828 /nfs/dbraw/zinc/46/78/28/569467828.db2.gz MIWACRGODGODCU-ZLXSMEDCSA-N 0 0 431.319 5.189 50 0 IKAARN COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067294873 569467903 /nfs/dbraw/zinc/46/79/03/569467903.db2.gz QNMRVKILUZACCB-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000067294461 569467915 /nfs/dbraw/zinc/46/79/15/569467915.db2.gz IRWMFAUCCQGJIO-PNHLSOANSA-N 0 0 434.879 5.588 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCCO2 ZINC000067294484 569467918 /nfs/dbraw/zinc/46/79/18/569467918.db2.gz GSXNUOAYTDSOOR-PNHLSOANSA-N 0 0 432.863 5.342 50 0 IKAARN Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067294644 569467919 /nfs/dbraw/zinc/46/79/19/569467919.db2.gz QJLXDGVWWMKDCW-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C(C)C)cc2)n1 ZINC000067294852 569467922 /nfs/dbraw/zinc/46/79/22/569467922.db2.gz CJYXGEGZOQPVDS-FVDSYPCUSA-N 0 0 431.923 6.398 50 0 IKAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294617 569467928 /nfs/dbraw/zinc/46/79/28/569467928.db2.gz FLMOLXRFEAGJOV-VYIQYICTSA-N 0 0 439.298 6.233 50 0 IKAARN CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067294879 569467940 /nfs/dbraw/zinc/46/79/40/569467940.db2.gz LWJQRZBVHHEGLM-PNHLSOANSA-N 0 0 433.895 5.673 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000067294503 569467941 /nfs/dbraw/zinc/46/79/41/569467941.db2.gz OGCNDUBLRSJCSU-COOPMVRXSA-N 0 0 446.890 5.748 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(Cl)c3C)oc21 ZINC000067295778 569467956 /nfs/dbraw/zinc/46/79/56/569467956.db2.gz KUAKFRNATKVRGD-PNHLSOANSA-N 0 0 433.895 5.591 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)cc3F)oc21 ZINC000067295730 569467960 /nfs/dbraw/zinc/46/79/60/569467960.db2.gz RILBHVJRAIAHAM-VYIQYICTSA-N 0 0 437.858 5.422 50 0 IKAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067295523 569467977 /nfs/dbraw/zinc/46/79/77/569467977.db2.gz HGESBVQWTIQETG-MEFGMAGPSA-N 0 0 428.366 5.087 50 0 IKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C(C)C)cc2)nc1 ZINC000067295167 569467981 /nfs/dbraw/zinc/46/79/81/569467981.db2.gz JLTRPVKTEJBBIO-FVDSYPCUSA-N 0 0 431.923 6.398 50 0 IKAARN COc1ccc(Cl)cc1/N=c1\oc2c(cccc2OC)cc1C(=O)Nc1cccc(C)n1 ZINC000067295807 569467984 /nfs/dbraw/zinc/46/79/84/569467984.db2.gz QFKHRYRHLRNFMT-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3Cl)oc21 ZINC000067295715 569467992 /nfs/dbraw/zinc/46/79/92/569467992.db2.gz BFSQMTMFIYCFGB-VYIQYICTSA-N 0 0 437.858 5.422 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(Cl)ccc3F)oc21 ZINC000067295997 569467997 /nfs/dbraw/zinc/46/79/97/569467997.db2.gz LHZJOOFJOVNGGV-CLCOLTQESA-N 0 0 429.860 5.175 50 0 IKAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cc1C ZINC000067297309 569468005 /nfs/dbraw/zinc/46/80/05/569468005.db2.gz QZTVEZADFOZXOK-FVDSYPCUSA-N 0 0 432.907 6.196 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)cc3F)oc21 ZINC000067295918 569468029 /nfs/dbraw/zinc/46/80/29/569468029.db2.gz DMWUUJOYKIIYNY-CLCOLTQESA-N 0 0 429.860 5.175 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)c(C)c1 ZINC000067297246 569468035 /nfs/dbraw/zinc/46/80/35/569468035.db2.gz WQLCNDJNLJCYKU-KRUMMXJUSA-N 0 0 436.433 6.553 50 0 IKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(Cl)c2)cc1 ZINC000067297749 569468066 /nfs/dbraw/zinc/46/80/66/569468066.db2.gz RJGQIONUKAICKL-PNHLSOANSA-N 0 0 434.879 5.588 50 0 IKAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067298157 569468072 /nfs/dbraw/zinc/46/80/72/569468072.db2.gz QHEBOMLEUUGTGY-BWAHOGKJSA-N 0 0 431.395 5.098 50 0 IKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2OC)cc1 ZINC000067297753 569468088 /nfs/dbraw/zinc/46/80/88/569468088.db2.gz CVEYYKXMVSIONC-PNHLSOANSA-N 0 0 434.879 5.588 50 0 IKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccccc3C(F)(F)F)oc21 ZINC000067299072 569468170 /nfs/dbraw/zinc/46/81/70/569468170.db2.gz BLEOFXKJKFXSIS-SLMZUGIISA-N 0 0 442.393 5.216 50 0 IKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4cccc(C)c4)s3)oc21 ZINC000067339471 569468983 /nfs/dbraw/zinc/46/89/83/569468983.db2.gz ZNLHBFSPWCJNOX-VOTSOKGWSA-N 0 0 438.936 6.102 50 0 IKAARN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000008612306 569469386 /nfs/dbraw/zinc/46/93/86/569469386.db2.gz TZMMYAREDFKKQA-UHFFFAOYSA-N 0 0 438.439 5.352 50 0 IKAARN O=C(CCSc1ccccc1)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038926452 569469511 /nfs/dbraw/zinc/46/95/11/569469511.db2.gz FXHMNOCJGDHRJL-UHFFFAOYSA-N 0 0 447.526 5.476 50 0 IKAARN COc1ccc(-c2nnc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)o2)cc1 ZINC000008633358 569469540 /nfs/dbraw/zinc/46/95/40/569469540.db2.gz XIYWOULICJFDNZ-UHFFFAOYSA-N 0 0 441.534 5.178 50 0 IKAARN Cc1cc([C@@H]2CC=C(C)[C@H](c3ccccc3)N2C(=O)c2ccccc2)cnc1-c1ccccc1 ZINC000008694721 569470110 /nfs/dbraw/zinc/47/01/10/569470110.db2.gz YMTDDDYWBVGJMJ-MFMCTBQISA-N 0 0 444.578 7.332 50 0 IKAARN Cc1ccc(F)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccnc2)c1 ZINC000008705894 569470398 /nfs/dbraw/zinc/47/03/98/569470398.db2.gz AVJJISXHMSECRP-UHFFFAOYSA-N 0 0 437.478 5.241 50 0 IKAARN COc1cc(C)c(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1OC ZINC000008705607 569470447 /nfs/dbraw/zinc/47/04/47/569470447.db2.gz LNYTZOWIGNTFKG-UHFFFAOYSA-N 0 0 433.533 5.433 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 ZINC000008707853 569470619 /nfs/dbraw/zinc/47/06/19/569470619.db2.gz XIDNIFPPWUHQEW-MRXNPFEDSA-N 0 0 440.569 5.094 50 0 IKAARN O=C1c2ccccc2N[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CCCC1 ZINC000008708072 569470643 /nfs/dbraw/zinc/47/06/43/569470643.db2.gz HVXMEBHMXXRYJP-SANMLTNESA-N 0 0 435.531 5.443 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000008708800 569470709 /nfs/dbraw/zinc/47/07/09/569470709.db2.gz KJZNCMCPYQUPRI-UHFFFAOYSA-N 0 0 440.952 5.852 50 0 IKAARN c1csc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cs2)c1 ZINC000008709744 569470796 /nfs/dbraw/zinc/47/07/96/569470796.db2.gz IXJQYSWSNDURPR-CQSZACIVSA-N 0 0 446.648 5.663 50 0 IKAARN Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008710294 569470846 /nfs/dbraw/zinc/47/08/46/569470846.db2.gz MGFLUCBGEIUALH-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1C1CCCC1 ZINC000008710809 569470950 /nfs/dbraw/zinc/47/09/50/569470950.db2.gz QYNCIYRCRIGGFX-AREMUKBSSA-N 0 0 435.531 5.443 50 0 IKAARN FC(F)(F)c1ccc(Sc2ccc(Sc3ccc(C(F)(F)F)cn3)nn2)nc1 ZINC000008716934 569471043 /nfs/dbraw/zinc/47/10/43/569471043.db2.gz QXIYYTAIKMPWHJ-UHFFFAOYSA-N 0 0 434.390 5.607 50 0 IKAARN COc1cc(Br)cc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@H]21 ZINC000008717640 569471094 /nfs/dbraw/zinc/47/10/94/569471094.db2.gz SEBAKERYNNEOBM-WAPLAKNRSA-N 0 0 431.330 5.501 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(F)c2)o1 ZINC000008717619 569471117 /nfs/dbraw/zinc/47/11/17/569471117.db2.gz MIHQNVGYNIPBET-GHTZIAJQSA-N 0 0 427.273 5.732 50 0 IKAARN CC(C)Oc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000008717842 569471185 /nfs/dbraw/zinc/47/11/85/569471185.db2.gz NZARBCCNAMTOBO-UHFFFAOYSA-N 0 0 428.966 6.718 50 0 IKAARN CCCCOc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 ZINC000008717901 569471214 /nfs/dbraw/zinc/47/12/14/569471214.db2.gz PRGYMIKAOWCQRK-UHFFFAOYSA-N 0 0 449.601 6.294 50 0 IKAARN Cc1ccc(Cl)c2c(=O)c(Cc3c(C)[nH]c4c(C)ccc(Cl)c4c3=O)c(C)[nH]c12 ZINC000008717984 569471215 /nfs/dbraw/zinc/47/12/15/569471215.db2.gz CTQHLLJZSXTVFQ-UHFFFAOYSA-N 0 0 427.331 5.501 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000008718745 569471322 /nfs/dbraw/zinc/47/13/22/569471322.db2.gz VEEGUJNYZZQOSB-NRFANRHFSA-N 0 0 439.943 5.475 50 0 IKAARN COc1ccc(CCC(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC000008720494 569471553 /nfs/dbraw/zinc/47/15/53/569471553.db2.gz PYXCUWMPDLJHMU-IBGZPJMESA-N 0 0 443.547 5.195 50 0 IKAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1nnc(-c2ccccc2)o1 ZINC000008720223 569471554 /nfs/dbraw/zinc/47/15/54/569471554.db2.gz ZOXHZDPTICVSSH-LBPRGKRZSA-N 0 0 427.327 5.743 50 0 IKAARN Nc1nc(CSc2nnc(C3CC3)n2-c2ccccc2)nc2sc3c(c21)CCCCC3 ZINC000008720614 569471665 /nfs/dbraw/zinc/47/16/65/569471665.db2.gz DHLRTCLOWRCUNX-UHFFFAOYSA-N 0 0 448.621 5.293 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CCCC1 ZINC000008720917 569471691 /nfs/dbraw/zinc/47/16/91/569471691.db2.gz LCODZWOOISOLFK-HHHXNRCGSA-N 0 0 449.558 5.503 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)c(-n2nc3ccccc3n2)c1 ZINC000008721997 569471780 /nfs/dbraw/zinc/47/17/80/569471780.db2.gz XRDKJYVAJGYYKM-UHFFFAOYSA-N 0 0 434.499 5.413 50 0 IKAARN Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)cc1)N2 ZINC000008721970 569471782 /nfs/dbraw/zinc/47/17/82/569471782.db2.gz XPVMPESCSYSZRU-GOSISDBHSA-N 0 0 447.343 5.745 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 ZINC000008722388 569471796 /nfs/dbraw/zinc/47/17/96/569471796.db2.gz RQAOAQLTXBGWLD-APBUJDDRSA-N 0 0 433.360 6.294 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008722374 569471803 /nfs/dbraw/zinc/47/18/03/569471803.db2.gz GMDGXPSKSJFLLN-WLRWDXFRSA-N 0 0 443.366 5.750 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 ZINC000008722386 569471806 /nfs/dbraw/zinc/47/18/06/569471806.db2.gz RQAOAQLTXBGWLD-OVWNDWIMSA-N 0 0 433.360 6.294 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3c(Cl)cccc32)cc1 ZINC000008722276 569471829 /nfs/dbraw/zinc/47/18/29/569471829.db2.gz NAOBMVCYYRIWOG-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 ZINC000008722385 569471838 /nfs/dbraw/zinc/47/18/38/569471838.db2.gz RQAOAQLTXBGWLD-DGIBIBHMSA-N 0 0 433.360 6.294 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 ZINC000008723758 569471903 /nfs/dbraw/zinc/47/19/03/569471903.db2.gz QCOYEFHRTQIEQT-FQEVSTJZSA-N 0 0 435.505 5.509 50 0 IKAARN Cc1occc1-c1nnc(SCCCC(=O)c2ccc(F)cc2)n1Cc1ccccc1 ZINC000008724098 569471941 /nfs/dbraw/zinc/47/19/41/569471941.db2.gz DCNQKWQZRDXFDC-UHFFFAOYSA-N 0 0 435.524 5.789 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000008723984 569471948 /nfs/dbraw/zinc/47/19/48/569471948.db2.gz ZMOKVSFYFGLLGA-AWEZNQCLSA-N 0 0 448.573 5.436 50 0 IKAARN C[C@@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(Cl)cc1)N(C)C ZINC000008723975 569471965 /nfs/dbraw/zinc/47/19/65/569471965.db2.gz JSBLFFAIGAQLLE-HNNXBMFYSA-N 0 0 439.972 5.491 50 0 IKAARN CC(=O)N(c1nc(CSc2nccn2-c2cccc(C)c2C)cs1)c1cccc(C)c1 ZINC000008725202 569472116 /nfs/dbraw/zinc/47/21/16/569472116.db2.gz CZSHCQKDIYUNEK-UHFFFAOYSA-N 0 0 448.617 6.231 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ncc(-c4ccccc4)n3C3CC3)ccc21 ZINC000008725624 569472117 /nfs/dbraw/zinc/47/21/17/569472117.db2.gz LYWVJGLPCAXIGK-INIZCTEOSA-N 0 0 431.561 5.158 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ncc(-c4ccccc4)n3C3CC3)ccc21 ZINC000008725625 569472126 /nfs/dbraw/zinc/47/21/26/569472126.db2.gz LYWVJGLPCAXIGK-MRXNPFEDSA-N 0 0 431.561 5.158 50 0 IKAARN CCOc1ccccc1Nc1nnc(SCc2nnc(-c3ccc(OC)cc3)o2)s1 ZINC000008725893 569472217 /nfs/dbraw/zinc/47/22/17/569472217.db2.gz HYSITZBVSXFOTC-UHFFFAOYSA-N 0 0 441.538 5.031 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2c(Cl)cccc2Cl)cc1 ZINC000008733503 569472447 /nfs/dbraw/zinc/47/24/47/569472447.db2.gz AYLPSEXKCXVOKF-UHFFFAOYSA-N 0 0 433.722 6.301 50 0 IKAARN FC(F)(F)c1cnc(Sc2nc3nccc(/C=C\c4ccccc4)n3n2)c(Cl)c1 ZINC000008733512 569472473 /nfs/dbraw/zinc/47/24/73/569472473.db2.gz SZYMCPQYSFTRKI-SREVYHEPSA-N 0 0 433.846 5.513 50 0 IKAARN O=[S@@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000008733539 569472504 /nfs/dbraw/zinc/47/25/04/569472504.db2.gz NGDHDYCGGFLVCN-AREMUKBSSA-N 0 0 425.764 5.691 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Br)cc2)cc1 ZINC000008733616 569472518 /nfs/dbraw/zinc/47/25/18/569472518.db2.gz ZEZXHEUHCZFXPJ-UHFFFAOYSA-N 0 0 443.728 5.757 50 0 IKAARN FC(F)(F)c1cccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)c1 ZINC000008733574 569472519 /nfs/dbraw/zinc/47/25/19/569472519.db2.gz 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COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)c4cc5ccccc5o4)ccc23)cc1 ZINC000008751744 569473447 /nfs/dbraw/zinc/47/34/47/569473447.db2.gz NNWLYUSEGPGGIV-UHFFFAOYSA-N 0 0 440.451 5.785 50 0 IKAARN O=C1c2c(Cl)cccc2C(c2cccs2)(c2cccs2)c2cccc(Cl)c21 ZINC000008751569 569473455 /nfs/dbraw/zinc/47/34/55/569473455.db2.gz AGBMSAGSSCMHSD-UHFFFAOYSA-N 0 0 427.377 7.044 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 ZINC000008751447 569473463 /nfs/dbraw/zinc/47/34/63/569473463.db2.gz SBVBLENACVKQFR-UHFFFAOYSA-N 0 0 432.373 5.358 50 0 IKAARN Cc1cc(OCC(=O)Nc2cccc3ccccc32)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000008751740 569473474 /nfs/dbraw/zinc/47/34/74/569473474.db2.gz ICGMMEPUJSVEOK-UHFFFAOYSA-N 0 0 435.479 5.939 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)c1 ZINC000008752422 569473516 /nfs/dbraw/zinc/47/35/16/569473516.db2.gz BLLYRIWSWHXYKW-QFIPXVFZSA-N 0 0 439.559 5.724 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)c1 ZINC000008752417 569473526 /nfs/dbraw/zinc/47/35/26/569473526.db2.gz BLLYRIWSWHXYKW-JOCHJYFZSA-N 0 0 439.559 5.724 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008752272 569473547 /nfs/dbraw/zinc/47/35/47/569473547.db2.gz VJSKKVOOWXXXJA-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000008752441 569473548 /nfs/dbraw/zinc/47/35/48/569473548.db2.gz GYCKDLZYBMAMND-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3cccc(C)c3)CC2=O)cc1 ZINC000008752267 569473553 /nfs/dbraw/zinc/47/35/53/569473553.db2.gz URVSRZJELYLZMN-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c(C)c1 ZINC000008752685 569473590 /nfs/dbraw/zinc/47/35/90/569473590.db2.gz IHOPHOBYCJPOIH-SFHVURJKSA-N 0 0 447.941 6.014 50 0 IKAARN Cc1ccc(C(C)C)c(OCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)c1 ZINC000008752646 569473609 /nfs/dbraw/zinc/47/36/09/569473609.db2.gz MZXBKRYQSNIPAF-UHFFFAOYSA-N 0 0 445.563 5.503 50 0 IKAARN CCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008752893 569473620 /nfs/dbraw/zinc/47/36/20/569473620.db2.gz HUQAYMYGBPQDMJ-QGZVFWFLSA-N 0 0 429.486 6.156 50 0 IKAARN Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000008752965 569473630 /nfs/dbraw/zinc/47/36/30/569473630.db2.gz RQUWEDBPWFGNNK-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c(C)c1 ZINC000008752803 569473632 /nfs/dbraw/zinc/47/36/32/569473632.db2.gz OECWEEUITKDQMP-HXUWFJFHSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000008752969 569473657 /nfs/dbraw/zinc/47/36/57/569473657.db2.gz RQUWEDBPWFGNNK-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1C ZINC000008752821 569473658 /nfs/dbraw/zinc/47/36/58/569473658.db2.gz GWWIHNMEMAZSKI-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccccc1F ZINC000008753228 569473681 /nfs/dbraw/zinc/47/36/81/569473681.db2.gz DYWSNECLBJWXTD-QGZVFWFLSA-N 0 0 449.913 5.428 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2C)cc1 ZINC000008753939 569473821 /nfs/dbraw/zinc/47/38/21/569473821.db2.gz WQYLOCVAQCAKJH-UHFFFAOYSA-N 0 0 433.489 5.225 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000008754869 569473854 /nfs/dbraw/zinc/47/38/54/569473854.db2.gz AWSBKEVDYMJHOG-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1C ZINC000008754689 569473870 /nfs/dbraw/zinc/47/38/70/569473870.db2.gz JRIBZXXQPHOPKZ-HSZRJFAPSA-N 0 0 439.559 5.248 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000008754802 569473873 /nfs/dbraw/zinc/47/38/73/569473873.db2.gz XIOBWEQIDRKZLP-FQEVSTJZSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000008755061 569473904 /nfs/dbraw/zinc/47/39/04/569473904.db2.gz SIACSTUGNAQBOX-FQEVSTJZSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000008755053 569473931 /nfs/dbraw/zinc/47/39/31/569473931.db2.gz COOQTCIDCIBKDG-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000008755215 569473983 /nfs/dbraw/zinc/47/39/83/569473983.db2.gz FZLCAROIKGUZJC-FQEVSTJZSA-N 0 0 429.951 5.821 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000008755879 569473984 /nfs/dbraw/zinc/47/39/84/569473984.db2.gz IKQFZFFUAOIHOX-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccc(Cl)cc1 ZINC000008755909 569473986 /nfs/dbraw/zinc/47/39/86/569473986.db2.gz SVNXOEAZLNVBHF-SFHVURJKSA-N 0 0 431.923 5.289 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccc(Cl)cc1 ZINC000008755907 569473993 /nfs/dbraw/zinc/47/39/93/569473993.db2.gz SVNXOEAZLNVBHF-GOSISDBHSA-N 0 0 431.923 5.289 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000008755869 569474009 /nfs/dbraw/zinc/47/40/09/569474009.db2.gz AYNNXLKPFOGXGC-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 ZINC000008755651 569474011 /nfs/dbraw/zinc/47/40/11/569474011.db2.gz ALJIALGARQGPJP-AZUAARDMSA-N 0 0 441.531 5.183 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000008755669 569474013 /nfs/dbraw/zinc/47/40/13/569474013.db2.gz PPPJNGNYPKEZLV-QGZVFWFLSA-N 0 0 449.913 5.406 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O ZINC000008755689 569474027 /nfs/dbraw/zinc/47/40/27/569474027.db2.gz SUVGCFZKVOQFLH-LJQANCHMSA-N 0 0 445.950 5.576 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccc(F)cc1 ZINC000008756121 569474033 /nfs/dbraw/zinc/47/40/33/569474033.db2.gz ZTRBJNVDZUYZPJ-HXUWFJFHSA-N 0 0 443.522 5.555 50 0 IKAARN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008756155 569474051 /nfs/dbraw/zinc/47/40/51/569474051.db2.gz IDESSRKJOJDTRY-FQEVSTJZSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 ZINC000008756142 569474052 /nfs/dbraw/zinc/47/40/52/569474052.db2.gz FLSOFSAWRSKDRT-FQEVSTJZSA-N 0 0 443.522 5.392 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccc(F)cc1 ZINC000008756126 569474055 /nfs/dbraw/zinc/47/40/55/569474055.db2.gz ZTRBJNVDZUYZPJ-FQEVSTJZSA-N 0 0 443.522 5.555 50 0 IKAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1C ZINC000008756264 569474068 /nfs/dbraw/zinc/47/40/68/569474068.db2.gz YFHQPXDVKAKKJI-NRFANRHFSA-N 0 0 441.550 5.978 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008756149 569474078 /nfs/dbraw/zinc/47/40/78/569474078.db2.gz KEZHFACKPSBMKR-FQEVSTJZSA-N 0 0 443.522 5.392 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000008756413 569474089 /nfs/dbraw/zinc/47/40/89/569474089.db2.gz MBHNEURZWTUURA-UHFFFAOYSA-N 0 0 439.987 5.398 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1Cl ZINC000008756976 569474100 /nfs/dbraw/zinc/47/41/00/569474100.db2.gz HAWUBCCCEDCQTK-UHFFFAOYSA-N 0 0 444.000 5.943 50 0 IKAARN Cc1cccc(Cn2cc3c(=O)n(Cc4cccc(Cl)c4)nc-3c3cc(F)ccc32)c1 ZINC000008757148 569474140 /nfs/dbraw/zinc/47/41/40/569474140.db2.gz DUYBAEUPGLSKIV-UHFFFAOYSA-N 0 0 431.898 5.500 50 0 IKAARN CC(C)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000008757195 569474142 /nfs/dbraw/zinc/47/41/42/569474142.db2.gz NMAMFDPHJVTWQE-UHFFFAOYSA-N 0 0 431.923 5.479 50 0 IKAARN Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1F ZINC000008756929 569474147 /nfs/dbraw/zinc/47/41/47/569474147.db2.gz JQEMHPRMWHSRAK-UHFFFAOYSA-N 0 0 430.504 5.171 50 0 IKAARN CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3F)c2=O)cc1 ZINC000008756818 569474149 /nfs/dbraw/zinc/47/41/49/569474149.db2.gz XTVQQIRGFDIWTM-UHFFFAOYSA-N 0 0 430.504 5.117 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000008758162 569474171 /nfs/dbraw/zinc/47/41/71/569474171.db2.gz AANZEFDZMZPASQ-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008759664 569474210 /nfs/dbraw/zinc/47/42/10/569474210.db2.gz KVLXTBPNYZQHSG-HXUWFJFHSA-N 0 0 443.522 5.473 50 0 IKAARN C(=C/c1nc2c(Oc3ccccc3)cccc2c2c1CCS2)\c1cccc2ccccc12 ZINC000008762101 569474283 /nfs/dbraw/zinc/47/42/83/569474283.db2.gz FHPQUTHHRGQXRT-WUKNDPDISA-N 0 0 431.560 7.999 50 0 IKAARN Cc1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)n2C)cc1 ZINC000008762385 569474311 /nfs/dbraw/zinc/47/43/11/569474311.db2.gz SEUYPUFFIMCIEZ-UHFFFAOYSA-N 0 0 426.549 5.059 50 0 IKAARN CCCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1-c1ccccc1 ZINC000008763007 569474422 /nfs/dbraw/zinc/47/44/22/569474422.db2.gz YBROUMKFGNRKRY-UHFFFAOYSA-N 0 0 426.549 5.413 50 0 IKAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccn(-c2ccccc2)c1-n1cccc1 ZINC000008763292 569474449 /nfs/dbraw/zinc/47/44/49/569474449.db2.gz UZSNGMWZVULNMD-UHFFFAOYSA-N 0 0 445.979 6.009 50 0 IKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2-c2cc(=O)oc3c(C)cc(C)cc23)c1 ZINC000008764340 569474639 /nfs/dbraw/zinc/47/46/39/569474639.db2.gz GJOFNIBNSURKOQ-UHFFFAOYSA-N 0 0 439.467 6.084 50 0 biogenic IKAARN C[C@@H]1CCc2c3cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc4c3oc2C1 ZINC000008765741 569474820 /nfs/dbraw/zinc/47/48/20/569474820.db2.gz BSZQPAYTTZRKDN-CQSZACIVSA-N 0 0 425.937 6.165 50 0 IKAARN Clc1ccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc32)cc1 ZINC000008769532 569475035 /nfs/dbraw/zinc/47/50/35/569475035.db2.gz ZUIFKKUHOGONHO-UHFFFAOYSA-N 0 0 442.990 6.926 50 0 IKAARN C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)c1ccccc1 ZINC000008777265 569475382 /nfs/dbraw/zinc/47/53/82/569475382.db2.gz IXSHXMLFFQXTMJ-HNNXBMFYSA-N 0 0 441.984 5.135 50 0 IKAARN CCCCOc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000008779011 569475495 /nfs/dbraw/zinc/47/54/95/569475495.db2.gz IAHKVDIHZLUEJE-UHFFFAOYSA-N 0 0 442.603 7.140 50 0 IKAARN Cn1ccnc1SCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000008778704 569475543 /nfs/dbraw/zinc/47/55/43/569475543.db2.gz JUYMNFPIIPHNMR-UHFFFAOYSA-N 0 0 438.553 5.008 50 0 IKAARN O=[S@](Cc1cc(NCc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000008781515 569475636 /nfs/dbraw/zinc/47/56/36/569475636.db2.gz GZXCRHJFLPJMTC-PMERELPUSA-N 0 0 433.964 5.717 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 ZINC000008781338 569475668 /nfs/dbraw/zinc/47/56/68/569475668.db2.gz LVSZVKNGFMWHIW-QGZVFWFLSA-N 0 0 448.588 6.085 50 0 IKAARN Cc1nnc(SCc2ccccc2)nc1C=CNOCc1c(Cl)cccc1Cl ZINC000008781509 569475669 /nfs/dbraw/zinc/47/56/69/569475669.db2.gz QZHBDRFZNPIKFQ-ZHACJKMWSA-N 0 0 433.364 5.471 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)n1ccc(/C=C/c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000008781630 569475692 /nfs/dbraw/zinc/47/56/92/569475692.db2.gz WZTQOADWNBOYJA-AATRIKPKSA-N 0 0 427.213 5.854 50 0 IKAARN Cc1ccc(CNC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000008781795 569475697 /nfs/dbraw/zinc/47/56/97/569475697.db2.gz VQEKUIYBQSXCEM-XNTDXEJSSA-N 0 0 436.349 5.666 50 0 IKAARN CN(Cc1ccccc1)C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008781787 569475732 /nfs/dbraw/zinc/47/57/32/569475732.db2.gz CMROJFRWCUFMOK-NTEUORMPSA-N 0 0 426.343 6.244 50 0 IKAARN Cc1ccc(C)n1-c1c(-c2ccc(Cl)cc2)cnn1-c1nc(-c2ccccc2)cs1 ZINC000008782160 569475759 /nfs/dbraw/zinc/47/57/59/569475759.db2.gz GLKWXZCBVKCVPD-UHFFFAOYSA-N 0 0 430.964 6.724 50 0 IKAARN Clc1ccc(/C=C/c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000008782204 569475771 /nfs/dbraw/zinc/47/57/71/569475771.db2.gz UUNIYAJSUVHPGO-UXBLZVDNSA-N 0 0 448.180 7.869 50 0 IKAARN FC(F)(F)c1ccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000008782200 569475788 /nfs/dbraw/zinc/47/57/88/569475788.db2.gz FCYGDKXDWXFCKV-XYOKQWHBSA-N 0 0 447.287 7.581 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2ccccc2c1 ZINC000008782953 569475798 /nfs/dbraw/zinc/47/57/98/569475798.db2.gz LWPOXOMQBXVZKZ-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN CC(C)(C)c1ccc(COC(=O)Nc2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000008782263 569475821 /nfs/dbraw/zinc/47/58/21/569475821.db2.gz FQXTXLAHHPEMNC-UHFFFAOYSA-N 0 0 444.962 7.601 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1ccccn1)occ3-c1ccccc1 ZINC000008791426 569476235 /nfs/dbraw/zinc/47/62/35/569476235.db2.gz AHAVTZKIOVCHKH-UHFFFAOYSA-N 0 0 438.483 5.159 50 0 biogenic IKAARN COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c(OC)c1 ZINC000008791724 569476270 /nfs/dbraw/zinc/47/62/70/569476270.db2.gz ZPUFJXRJHSKMEV-UHFFFAOYSA-N 0 0 449.503 5.361 50 0 biogenic IKAARN Cc1cc2oc(=O)c(CC(=O)NCc3ccccn3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008791618 569476284 /nfs/dbraw/zinc/47/62/84/569476284.db2.gz NFEKBWLWUPKBOF-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000008791991 569476355 /nfs/dbraw/zinc/47/63/55/569476355.db2.gz DDGXZSMULMYAAK-FCAYZRQCSA-N 0 0 448.607 5.600 50 0 biogenic IKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000008811380 569476585 /nfs/dbraw/zinc/47/65/85/569476585.db2.gz QHYXKGQSEWGZKF-BXTJHSDWSA-N 0 0 431.001 6.004 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000008816745 569476752 /nfs/dbraw/zinc/47/67/52/569476752.db2.gz MPRXCXOBOBBYHI-AHKZPQOWSA-N 0 0 428.532 6.070 50 0 IKAARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)cc1Cl)O2 ZINC000008817256 569476860 /nfs/dbraw/zinc/47/68/60/569476860.db2.gz YUJGBZOSUCRAIS-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008817109 569476878 /nfs/dbraw/zinc/47/68/78/569476878.db2.gz QQSCPTWWKANGPZ-UKILVPOCSA-N 0 0 437.370 7.359 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008819027 569477001 /nfs/dbraw/zinc/47/70/01/569477001.db2.gz WGXZDVUJBJITJE-UHFFFAOYSA-N 0 0 431.300 6.278 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccccc4)o3)[C@H](c3ccco3)C2)cc1 ZINC000008824651 569477229 /nfs/dbraw/zinc/47/72/29/569477229.db2.gz QYSWVOJIMRABFU-FQEVSTJZSA-N 0 0 444.516 5.108 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000008824962 569477273 /nfs/dbraw/zinc/47/72/73/569477273.db2.gz IUJHKGXVWIPSPU-UHFFFAOYSA-N 0 0 429.929 5.218 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(s1)CCCCC2 ZINC000008825776 569477471 /nfs/dbraw/zinc/47/74/71/569477471.db2.gz OCXRCRIJWVNWMI-UHFFFAOYSA-N 0 0 429.973 5.771 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000008826115 569477481 /nfs/dbraw/zinc/47/74/81/569477481.db2.gz CEZCGPVMMLTVMC-UHFFFAOYSA-N 0 0 436.519 5.685 50 0 IKAARN COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1C1CCCCC1 ZINC000008825902 569477507 /nfs/dbraw/zinc/47/75/07/569477507.db2.gz LCVYZBUJFDSPLT-UHFFFAOYSA-N 0 0 436.606 6.361 50 0 IKAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2[C@@H](C)c2ccncc2)c(C)c1 ZINC000008826413 569477570 /nfs/dbraw/zinc/47/75/70/569477570.db2.gz RPLDGDDTXYPPND-SFHVURJKSA-N 0 0 429.549 5.303 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)n1 ZINC000008827451 569477644 /nfs/dbraw/zinc/47/76/44/569477644.db2.gz OISWETCRPWODLO-KRWDZBQOSA-N 0 0 443.311 5.615 50 0 IKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000008828211 569477758 /nfs/dbraw/zinc/47/77/58/569477758.db2.gz YKCHLDUCMFSSJT-NRFANRHFSA-N 0 0 425.532 5.334 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O ZINC000008828144 569477762 /nfs/dbraw/zinc/47/77/62/569477762.db2.gz KBKBXEXFZCLZCG-QHCPKHFHSA-N 0 0 447.538 5.767 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 ZINC000008828190 569477772 /nfs/dbraw/zinc/47/77/72/569477772.db2.gz YGNQYBHTMULWAT-FQEVSTJZSA-N 0 0 441.531 5.035 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1CCCOc1ccccc1Cl)c1ccco1 ZINC000008828218 569477783 /nfs/dbraw/zinc/47/77/83/569477783.db2.gz LCRHTWDMHYPPFI-UHFFFAOYSA-N 0 0 437.927 5.114 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1 ZINC000008828197 569477796 /nfs/dbraw/zinc/47/77/96/569477796.db2.gz MORJIKIKDBFHIJ-JOCHJYFZSA-N 0 0 439.559 5.737 50 0 IKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O ZINC000008828216 569477801 /nfs/dbraw/zinc/47/78/01/569477801.db2.gz JIWBVOQUBNCVRZ-JOCHJYFZSA-N 0 0 439.559 5.724 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1 ZINC000008828198 569477807 /nfs/dbraw/zinc/47/78/07/569477807.db2.gz MORJIKIKDBFHIJ-QFIPXVFZSA-N 0 0 439.559 5.737 50 0 IKAARN Cc1cc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)ccc1Cl ZINC000008828285 569477813 /nfs/dbraw/zinc/47/78/13/569477813.db2.gz KNZHGYBNKNVNFQ-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008828298 569477818 /nfs/dbraw/zinc/47/78/18/569477818.db2.gz YWTPVMRKSUAUIY-FQEVSTJZSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 ZINC000008828307 569477822 /nfs/dbraw/zinc/47/78/22/569477822.db2.gz UZFSBZZGELXWMV-HXUWFJFHSA-N 0 0 429.951 5.875 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1Cc1ccccc1 ZINC000008828304 569477836 /nfs/dbraw/zinc/47/78/36/569477836.db2.gz GCNBISXIMSBSPE-FQEVSTJZSA-N 0 0 445.950 5.285 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000008831850 569477838 /nfs/dbraw/zinc/47/78/38/569477838.db2.gz YJSKDZKFCSCFOU-UHFFFAOYSA-N 0 0 444.943 7.437 50 0 IKAARN Cc1cccc(-c2c(NC(=O)c3cccc(Br)c3)oc3c(C)cccc3c2=O)c1 ZINC000008836282 569478055 /nfs/dbraw/zinc/47/80/55/569478055.db2.gz ULPZDFMTLRZFHS-UHFFFAOYSA-N 0 0 448.316 6.092 50 0 IKAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000008836563 569478095 /nfs/dbraw/zinc/47/80/95/569478095.db2.gz DQRZKBQMAHPXAR-GFCCVEGCSA-N 0 0 426.879 5.151 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008836715 569478166 /nfs/dbraw/zinc/47/81/66/569478166.db2.gz LXXJZTMDCOKJQF-AZGAKELHSA-N 0 0 432.951 6.761 50 0 IKAARN c1ccc(C2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5ccccc5c4)=NN23)cc1 ZINC000008838159 569478276 /nfs/dbraw/zinc/47/82/76/569478276.db2.gz FNPYUOROCPGESM-DOVHFGBNSA-N 0 0 444.578 7.437 50 0 IKAARN CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn32)cc1 ZINC000008844896 569478639 /nfs/dbraw/zinc/47/86/39/569478639.db2.gz XAUCFKQJIQKJHY-UHFFFAOYSA-N 0 0 445.950 6.001 50 0 IKAARN CCCOc1cccc([C@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)c1 ZINC000008845245 569478749 /nfs/dbraw/zinc/47/87/49/569478749.db2.gz WUVXXHIYKIOUAS-VWLOTQADSA-N 0 0 443.503 5.218 50 0 IKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn21)c1ccc(Br)cc1 ZINC000008845486 569478792 /nfs/dbraw/zinc/47/87/92/569478792.db2.gz SJQUGGXDZMEHRP-UHFFFAOYSA-N 0 0 427.689 5.065 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)nc1 ZINC000008845996 569478948 /nfs/dbraw/zinc/47/89/48/569478948.db2.gz LDJHPJWUZLBKHL-HSZRJFAPSA-N 0 0 428.463 5.509 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1F)N(Cc1cccnc1)C3=O ZINC000008846004 569478980 /nfs/dbraw/zinc/47/89/80/569478980.db2.gz BJMYMQIGPPBTKL-OAQYLSRUSA-N 0 0 434.854 5.034 50 0 IKAARN O=C(c1nc(SCc2ccccc2)ncc1Cl)N(Cc1ccccc1)c1ccccn1 ZINC000008846129 569479018 /nfs/dbraw/zinc/47/90/18/569479018.db2.gz HIZWYFDQVYONFA-UHFFFAOYSA-N 0 0 446.963 5.664 50 0 IKAARN Cc1cccc(-n2c(-c3ccccc3)cn3c2nc(-c2ccccc2)c3-c2ccccc2)c1 ZINC000008846614 569479071 /nfs/dbraw/zinc/47/90/71/569479071.db2.gz XXBMWHQBGMTJEK-UHFFFAOYSA-N 0 0 425.535 7.434 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000008846264 569479110 /nfs/dbraw/zinc/47/91/10/569479110.db2.gz UWSLYXHQJRCDMZ-XMMPIXPASA-N 0 0 440.499 5.031 50 0 IKAARN O=c1cc2c(nn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1n2Cc1ccccc1 ZINC000008846841 569479120 /nfs/dbraw/zinc/47/91/20/569479120.db2.gz XBNIWJFFYRDNQF-UHFFFAOYSA-N 0 0 435.405 5.287 50 0 IKAARN Cc1cc(C)c(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c(C)c1 ZINC000008852104 569479444 /nfs/dbraw/zinc/47/94/44/569479444.db2.gz YSXRSNHGSZTKIU-UHFFFAOYSA-N 0 0 443.569 5.119 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C(C)C)cc3)cs2)cc1 ZINC000008852871 569479478 /nfs/dbraw/zinc/47/94/78/569479478.db2.gz UJMXNASEZRPZEN-UHFFFAOYSA-N 0 0 439.606 5.487 50 0 IKAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1C ZINC000008852538 569479503 /nfs/dbraw/zinc/47/95/03/569479503.db2.gz PDZVEYVXFUZSRZ-UHFFFAOYSA-N 0 0 445.997 5.325 50 0 IKAARN CCc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000008852443 569479524 /nfs/dbraw/zinc/47/95/24/569479524.db2.gz BZOTXIWITBVZMR-UHFFFAOYSA-N 0 0 445.997 5.271 50 0 IKAARN Cc1ccc(C)c(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000008852533 569479527 /nfs/dbraw/zinc/47/95/27/569479527.db2.gz ODVICKBTIOCTBY-UHFFFAOYSA-N 0 0 445.997 5.325 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 ZINC000008852996 569479561 /nfs/dbraw/zinc/47/95/61/569479561.db2.gz JTUOYVNGEKTHTR-UHFFFAOYSA-N 0 0 439.606 5.289 50 0 IKAARN COc1ccccc1CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc21 ZINC000008855516 569479678 /nfs/dbraw/zinc/47/96/78/569479678.db2.gz UDPNSAIXDWSRPZ-QGZVFWFLSA-N 0 0 429.545 5.102 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008856453 569479770 /nfs/dbraw/zinc/47/97/70/569479770.db2.gz UCNVAOVGCZIFHQ-ZJSXRUAMSA-N 0 0 448.906 5.378 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc2c(c1)CCCC2 ZINC000008860948 569479906 /nfs/dbraw/zinc/47/99/06/569479906.db2.gz OICWMGRZGOIHPA-HNNXBMFYSA-N 0 0 432.549 5.066 50 0 IKAARN COc1ccc(Cc2nnc(S[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)o2)cc1 ZINC000008862275 569480154 /nfs/dbraw/zinc/48/01/54/569480154.db2.gz CQMVAGHGWLVMJE-QHCPKHFHSA-N 0 0 445.544 5.450 50 0 IKAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 ZINC000008862441 569480220 /nfs/dbraw/zinc/48/02/20/569480220.db2.gz VMFNSFWOAWMFOG-NRFANRHFSA-N 0 0 432.549 5.229 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 ZINC000008869317 569480426 /nfs/dbraw/zinc/48/04/26/569480426.db2.gz MYRQESFUPPWYEA-UHFFFAOYSA-N 0 0 433.485 5.259 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000008870352 569480543 /nfs/dbraw/zinc/48/05/43/569480543.db2.gz CQBHUNYFZJGNAQ-UHFFFAOYSA-N 0 0 445.537 5.206 50 0 IKAARN COC(=O)c1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)cc2oc1C(C)(C)C ZINC000008870341 569480551 /nfs/dbraw/zinc/48/05/51/569480551.db2.gz CVKHQOHTIVKJJN-UHFFFAOYSA-N 0 0 435.929 5.280 50 0 IKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)C[C@@H](C)CC3 ZINC000008870362 569480599 /nfs/dbraw/zinc/48/05/99/569480599.db2.gz WBGCWUBQHMBAAR-LBPRGKRZSA-N 0 0 434.355 5.429 50 0 IKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2)CCCC3 ZINC000008870378 569480660 /nfs/dbraw/zinc/48/06/60/569480660.db2.gz GAYPHJFDSONEHE-UHFFFAOYSA-N 0 0 432.501 5.140 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000008871255 569480757 /nfs/dbraw/zinc/48/07/57/569480757.db2.gz PYDLSANYXGSFHU-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000008871256 569480770 /nfs/dbraw/zinc/48/07/70/569480770.db2.gz PYDLSANYXGSFHU-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 ZINC000008871533 569480820 /nfs/dbraw/zinc/48/08/20/569480820.db2.gz IUVQNPWHOYSELO-YVWYTEFXSA-N 0 0 437.543 5.669 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 ZINC000008871522 569480821 /nfs/dbraw/zinc/48/08/21/569480821.db2.gz WQDMPCPXCUPVQP-IBGZPJMESA-N 0 0 445.950 5.657 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)cc1 ZINC000008871466 569480825 /nfs/dbraw/zinc/48/08/25/569480825.db2.gz YDCHEXCMVWXDGH-QFIPXVFZSA-N 0 0 439.559 5.724 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccccc1F ZINC000008871482 569480828 /nfs/dbraw/zinc/48/08/28/569480828.db2.gz VMRZVBWITPKRAE-FQEVSTJZSA-N 0 0 443.522 5.555 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)cc1 ZINC000008871456 569480837 /nfs/dbraw/zinc/48/08/37/569480837.db2.gz LCVKBMCSKIPLLT-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 ZINC000008871524 569480843 /nfs/dbraw/zinc/48/08/43/569480843.db2.gz FVVBVHICISMMOT-IBGZPJMESA-N 0 0 429.495 5.143 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000008872047 569480847 /nfs/dbraw/zinc/48/08/47/569480847.db2.gz JDKWQEOMIREADG-UHFFFAOYSA-N 0 0 442.584 6.196 50 0 IKAARN Cc1cc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000008871970 569480863 /nfs/dbraw/zinc/48/08/63/569480863.db2.gz CPZCHJGCSMWYLC-UHFFFAOYSA-N 0 0 435.471 5.090 50 0 IKAARN O=S(=O)(Nc1ccc2oc(-c3ccccc3)cc2c1)c1ccc(Br)cc1 ZINC000008871952 569480911 /nfs/dbraw/zinc/48/09/11/569480911.db2.gz QOVQHFFDJYHPCE-UHFFFAOYSA-N 0 0 428.307 5.663 50 0 IKAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000008872447 569480971 /nfs/dbraw/zinc/48/09/71/569480971.db2.gz FOOXVSAVJCNYIH-UHFFFAOYSA-N 0 0 442.496 5.080 50 0 IKAARN CCOc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1 ZINC000008872620 569481036 /nfs/dbraw/zinc/48/10/36/569481036.db2.gz FIWPEXMATGBWDJ-WEMUOSSPSA-N 0 0 438.552 7.163 50 0 IKAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccccc3Cl)nn2)s1 ZINC000008875919 569481039 /nfs/dbraw/zinc/48/10/39/569481039.db2.gz QHTVPXAINMDFCB-UHFFFAOYSA-N 0 0 439.993 6.530 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008874900 569481068 /nfs/dbraw/zinc/48/10/68/569481068.db2.gz YTSAAUWGZRTHMJ-NSPYISDASA-N 0 0 432.467 6.006 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008874898 569481076 /nfs/dbraw/zinc/48/10/76/569481076.db2.gz YTSAAUWGZRTHMJ-WLRWDXFRSA-N 0 0 432.467 6.006 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1coc2cc(OC)ccc12 ZINC000008878226 569481230 /nfs/dbraw/zinc/48/12/30/569481230.db2.gz LCSYRBXDAULNJA-UHFFFAOYSA-N 0 0 439.899 5.126 50 0 IKAARN COc1ccc(-c2c3c4c(sc3nc(C)c2C(=O)Nc2ccccc2)CCCC4)cc1 ZINC000068688434 569481871 /nfs/dbraw/zinc/48/18/71/569481871.db2.gz STMMRIFIEGPXEQ-UHFFFAOYSA-N 0 0 428.557 6.411 50 0 IKAARN Cc1ccc2oc(-c3cccc(Nc4ccc(-c5ccc(Cl)cc5)oc4=O)c3)nc2c1 ZINC000039929516 569481906 /nfs/dbraw/zinc/48/19/06/569481906.db2.gz LXZHYSJIIUZVGJ-UHFFFAOYSA-N 0 0 428.875 6.820 50 0 IKAARN COc1ccc(CNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000039844510 569481912 /nfs/dbraw/zinc/48/19/12/569481912.db2.gz PFWIXRMOTOGMBO-UHFFFAOYSA-N 0 0 434.517 5.104 50 0 IKAARN Cc1cccc(O[C@H](C)c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000039900015 569481922 /nfs/dbraw/zinc/48/19/22/569481922.db2.gz FNECJNMFSNUMGY-OAQYLSRUSA-N 0 0 427.548 5.926 50 0 IKAARN COc1ccc(CNc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000039844530 569481963 /nfs/dbraw/zinc/48/19/63/569481963.db2.gz HHEMTLMOECECGP-UHFFFAOYSA-N 0 0 434.517 5.104 50 0 IKAARN COc1cccc([C@]2(C)CC[C@]3(c4ccccc4)Nc4ccc(C(C)(C)C)cc4[C@]3(C)C2)c1 ZINC000039931365 569481977 /nfs/dbraw/zinc/48/19/77/569481977.db2.gz QCWNAUHWKCFSRM-MJSOWUPRSA-N 0 0 439.643 7.713 50 0 IKAARN COc1cccc([C@]2(C)CC[C@@]3(c4ccccc4)Nc4ccc(C(C)(C)C)cc4[C@]3(C)C2)c1 ZINC000039931363 569481989 /nfs/dbraw/zinc/48/19/89/569481989.db2.gz QCWNAUHWKCFSRM-AYQJTBPPSA-N 0 0 439.643 7.713 50 0 IKAARN O=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000039930629 569482006 /nfs/dbraw/zinc/48/20/06/569482006.db2.gz MHEUAMJJYFHJAV-HHHXNRCGSA-N 0 0 436.942 7.253 50 0 IKAARN CCCCCOc1ccccc1-c1nc2c(c3nc4ccccc4n31)Cc1ccccc1O2 ZINC000039932882 569482101 /nfs/dbraw/zinc/48/21/01/569482101.db2.gz PIDPEBYMYIWWBT-UHFFFAOYSA-N 0 0 435.527 6.815 50 0 IKAARN O=C(CNc1ccc2oc3ccccc3c2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000039972119 569482152 /nfs/dbraw/zinc/48/21/52/569482152.db2.gz NVNWJKINZRAHSR-QFIPXVFZSA-N 0 0 442.515 5.523 50 0 IKAARN Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000039976109 569482167 /nfs/dbraw/zinc/48/21/67/569482167.db2.gz QSBXRZQJAFFZET-UHFFFAOYSA-N 0 0 430.523 5.220 50 0 IKAARN CC(C)Sc1ccccc1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000039980591 569482240 /nfs/dbraw/zinc/48/22/40/569482240.db2.gz GLPODVKFDGYURW-QGZVFWFLSA-N 0 0 425.623 5.316 50 0 IKAARN FC(F)(F)c1ccc(N2CCCN(Cc3csc(Nc4ccccc4)n3)CC2)nc1 ZINC000039992460 569482369 /nfs/dbraw/zinc/48/23/69/569482369.db2.gz RPRORBUJBFHGRZ-UHFFFAOYSA-N 0 0 433.503 5.013 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1SCc1ccsc1 ZINC000040009614 569482510 /nfs/dbraw/zinc/48/25/10/569482510.db2.gz BDOXLUYSIZSBLL-QFIPXVFZSA-N 0 0 434.586 5.943 50 0 IKAARN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2ccc(C)cn2)c1=S ZINC000040016161 569482552 /nfs/dbraw/zinc/48/25/52/569482552.db2.gz MEDXREZXXLSNCM-UHFFFAOYSA-N 0 0 429.977 5.267 50 0 IKAARN Cc1nc2sc3c(c2c(Sc2nnc(COc4ccccc4Cl)n2C)n1)CCC3 ZINC000040020230 569482681 /nfs/dbraw/zinc/48/26/81/569482681.db2.gz ITIKFOOZNQRGLF-UHFFFAOYSA-N 0 0 443.985 5.001 50 0 IKAARN CC(C)n1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O ZINC000008882350 569482918 /nfs/dbraw/zinc/48/29/18/569482918.db2.gz HBXWPZVDEJFYLG-ZDUSSCGKSA-N 0 0 426.929 5.534 50 0 IKAARN O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)Nc1ccc(F)cc1F ZINC000008882111 569482921 /nfs/dbraw/zinc/48/29/21/569482921.db2.gz ZGFDGGFVNHMGSC-UHFFFAOYSA-N 0 0 437.398 5.086 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C(c1ccccc1)c1ccccc1 ZINC000008882691 569482964 /nfs/dbraw/zinc/48/29/64/569482964.db2.gz RABXUKHDFZRIRC-UHFFFAOYSA-N 0 0 445.975 6.043 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1sc2ccccc2c1Cl ZINC000008883940 569483114 /nfs/dbraw/zinc/48/31/14/569483114.db2.gz ISBGBGZJBADDTN-UHFFFAOYSA-N 0 0 446.359 6.311 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)o2)cc1C ZINC000040033813 569483177 /nfs/dbraw/zinc/48/31/77/569483177.db2.gz JMFVFJMCTRIVFC-HHHXNRCGSA-N 0 0 448.563 5.566 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c(C)n1C1CC1 ZINC000008887720 569483204 /nfs/dbraw/zinc/48/32/04/569483204.db2.gz IGQQOBMBDOMQHO-KSFYIVLOSA-N 0 0 449.624 5.820 50 0 IKAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)n1 ZINC000040042675 569483535 /nfs/dbraw/zinc/48/35/35/569483535.db2.gz LYPRNHOOSIHOAH-UHFFFAOYSA-N 0 0 439.491 5.236 50 0 IKAARN CSc1nc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2s1 ZINC000040043002 569483566 /nfs/dbraw/zinc/48/35/66/569483566.db2.gz VKCMSLCDDVCPNF-UHFFFAOYSA-N 0 0 429.617 6.019 50 0 IKAARN Cc1ccc(-c2csc(N(C(=O)CSc3ncccn3)c3cccc(C)c3)n2)cc1 ZINC000008896396 569483908 /nfs/dbraw/zinc/48/39/08/569483908.db2.gz LLCXBQBAGJBLJZ-UHFFFAOYSA-N 0 0 432.574 5.674 50 0 IKAARN Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 ZINC000008896657 569483931 /nfs/dbraw/zinc/48/39/31/569483931.db2.gz WOFYMDAMNRZXBS-SFHVURJKSA-N 0 0 428.561 5.212 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C)n2Cc2ccccc2)cs1)c1ccccc1 ZINC000008897548 569483937 /nfs/dbraw/zinc/48/39/37/569483937.db2.gz SNHFJMUCQWAIER-UHFFFAOYSA-N 0 0 435.578 5.068 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)n1Cc1ccccc1 ZINC000008897561 569483951 /nfs/dbraw/zinc/48/39/51/569483951.db2.gz RWYVXWSKADHVLS-QHCPKHFHSA-N 0 0 428.561 5.415 50 0 IKAARN CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1cccs1 ZINC000008898214 569483990 /nfs/dbraw/zinc/48/39/90/569483990.db2.gz PEQVIFVVCBOQRJ-AWEZNQCLSA-N 0 0 430.624 5.036 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@@H]1CCCc2ccccc21 ZINC000008898769 569484048 /nfs/dbraw/zinc/48/40/48/569484048.db2.gz LMSJUHNZLKXOKW-JOCHJYFZSA-N 0 0 443.576 5.047 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)CCCC2 ZINC000008898827 569484067 /nfs/dbraw/zinc/48/40/67/569484067.db2.gz HFWBCQIBILAADQ-CQSZACIVSA-N 0 0 427.957 5.238 50 0 IKAARN CC(=O)Nc1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)ccc1F ZINC000040050564 569484212 /nfs/dbraw/zinc/48/42/12/569484212.db2.gz WBUJPGSOCVDSPU-UHFFFAOYSA-N 0 0 435.480 5.470 50 0 IKAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc(Cl)ccc1F ZINC000040050339 569484236 /nfs/dbraw/zinc/48/42/36/569484236.db2.gz MEKXHQFLHMUNEY-UHFFFAOYSA-N 0 0 436.914 5.199 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CSC3)cc1 ZINC000008909887 569484724 /nfs/dbraw/zinc/48/47/24/569484724.db2.gz PXPBIIMUBLSKEZ-UHFFFAOYSA-N 0 0 427.957 5.377 50 0 IKAARN COc1ccc(-c2cn3c(n2)sc2cc(C(=O)Nc4ccc(Cl)cc4C)ccc23)cc1 ZINC000008911915 569484892 /nfs/dbraw/zinc/48/48/92/569484892.db2.gz ROYBZKWQWVKKHJ-UHFFFAOYSA-N 0 0 447.947 6.439 50 0 IKAARN C[C@H](CNC(=O)c1ccc2nc(SCc3ccc(F)cc3)n(C)c2c1)c1ccccc1 ZINC000008911878 569484900 /nfs/dbraw/zinc/48/49/00/569484900.db2.gz AFCHKRKOVFKDDQ-QGZVFWFLSA-N 0 0 433.552 5.538 50 0 IKAARN CC(C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000008911823 569484903 /nfs/dbraw/zinc/48/49/03/569484903.db2.gz FXHZOGVQNUJNIC-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN O=C(NCCC1=CCCCC1)C1CCN(c2nc3ccc(Br)cc3s2)CC1 ZINC000008911661 569484917 /nfs/dbraw/zinc/48/49/17/569484917.db2.gz YNURSCIREKUZJZ-UHFFFAOYSA-N 0 0 448.430 5.282 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4C)cn32)cc1 ZINC000008911910 569484920 /nfs/dbraw/zinc/48/49/20/569484920.db2.gz DQQUVGWUHCVCQY-UHFFFAOYSA-N 0 0 439.584 6.325 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000008912225 569484948 /nfs/dbraw/zinc/48/49/48/569484948.db2.gz HYJQWWFCOIRPAD-RUZDIDTESA-N 0 0 429.951 6.618 50 0 IKAARN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc(Cl)cc1F ZINC000008912142 569484965 /nfs/dbraw/zinc/48/49/65/569484965.db2.gz WIFVJTCXQUNDAX-UHFFFAOYSA-N 0 0 441.915 5.404 50 0 IKAARN COc1ccccc1CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1 ZINC000008912276 569484976 /nfs/dbraw/zinc/48/49/76/569484976.db2.gz LQSAGGYCRMICRF-UHFFFAOYSA-N 0 0 426.560 5.596 50 0 biogenic IKAARN CCCN(C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008912517 569485009 /nfs/dbraw/zinc/48/50/09/569485009.db2.gz GTJPUHCLQSDLFE-UHFFFAOYSA-N 0 0 444.362 5.487 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc4c(s3)-c3ccccc3SC4)ccc21 ZINC000008912532 569485027 /nfs/dbraw/zinc/48/50/27/569485027.db2.gz YHINSDSIBJLYJX-UHFFFAOYSA-N 0 0 440.593 7.401 50 0 IKAARN CC1CCN(c2nc3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3s2)CC1 ZINC000008912736 569485107 /nfs/dbraw/zinc/48/51/07/569485107.db2.gz PPWBHANQKUSAJW-UHFFFAOYSA-N 0 0 433.621 5.628 50 0 IKAARN CCN(CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)c1cccc(C)c1 ZINC000008912699 569485119 /nfs/dbraw/zinc/48/51/19/569485119.db2.gz XSDWQBMUXBJSAD-UHFFFAOYSA-N 0 0 436.625 5.241 50 0 IKAARN O=C(NCc1cccc(F)c1)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn21 ZINC000008912893 569485138 /nfs/dbraw/zinc/48/51/38/569485138.db2.gz OTOWOJAQWPCZTC-UHFFFAOYSA-N 0 0 435.911 5.939 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913037 569485165 /nfs/dbraw/zinc/48/51/65/569485165.db2.gz QZOZEDPIMJZOOE-NRFANRHFSA-N 0 0 446.576 5.630 50 0 IKAARN CCN(C(=O)Cn1c2cnccc2nc1SCc1cccc(F)c1)c1cccc(C)c1 ZINC000008913058 569485171 /nfs/dbraw/zinc/48/51/71/569485171.db2.gz JWMQTLSGSMMXPN-UHFFFAOYSA-N 0 0 434.540 5.224 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(OC)c1)n1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008913014 569485183 /nfs/dbraw/zinc/48/51/83/569485183.db2.gz JIWUXCURNNUNLZ-JOCHJYFZSA-N 0 0 446.576 5.630 50 0 IKAARN Cc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000008913032 569485190 /nfs/dbraw/zinc/48/51/90/569485190.db2.gz HEMWSSPILDZBGG-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000008913097 569485233 /nfs/dbraw/zinc/48/52/33/569485233.db2.gz VKQHJFJZIKNDEX-HXUWFJFHSA-N 0 0 438.503 5.592 50 0 IKAARN COc1ccc(CSc2nc3ccncc3n2Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000008913147 569485242 /nfs/dbraw/zinc/48/52/42/569485242.db2.gz QCJNCVQZTQNFFK-UHFFFAOYSA-N 0 0 442.544 5.744 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1Cn1c2cnccc2nc1SCc1ccccc1C ZINC000008913195 569485250 /nfs/dbraw/zinc/48/52/50/569485250.db2.gz KOHKTCZOQGBAJP-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccccc1F ZINC000008913191 569485252 /nfs/dbraw/zinc/48/52/52/569485252.db2.gz VJVCCVIMKSTPBV-FQEVSTJZSA-N 0 0 438.503 5.592 50 0 IKAARN CCc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000008913221 569485269 /nfs/dbraw/zinc/48/52/69/569485269.db2.gz XQRVRIRXCYRPRV-UHFFFAOYSA-N 0 0 436.968 5.578 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000008913322 569485283 /nfs/dbraw/zinc/48/52/83/569485283.db2.gz UWYJDRBTBQQFLX-UHFFFAOYSA-N 0 0 430.577 5.220 50 0 IKAARN CCc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(Cl)c2)c1 ZINC000008913227 569485286 /nfs/dbraw/zinc/48/52/86/569485286.db2.gz DKQOOAVIRMCNPP-UHFFFAOYSA-N 0 0 436.968 5.578 50 0 IKAARN Cc1cccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000008913289 569485288 /nfs/dbraw/zinc/48/52/88/569485288.db2.gz ASTDZXZXHUMAFN-UHFFFAOYSA-N 0 0 430.577 5.219 50 0 IKAARN Cc1ccccc1CSc1nc2ccncc2n1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000008913202 569485292 /nfs/dbraw/zinc/48/52/92/569485292.db2.gz VAOFJQCBEGJZGR-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN O=C(NC1CCCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008913451 569485313 /nfs/dbraw/zinc/48/53/13/569485313.db2.gz VDZWSWIBOWFVQF-UHFFFAOYSA-N 0 0 442.588 5.444 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008913514 569485380 /nfs/dbraw/zinc/48/53/80/569485380.db2.gz HXENKTUHQOCUAC-IBGZPJMESA-N 0 0 444.604 5.609 50 0 IKAARN Cc1ccccc1CSc1nc2ccncc2n1Cc1ccc(C(=O)NC(C)C)cc1 ZINC000008913659 569485388 /nfs/dbraw/zinc/48/53/88/569485388.db2.gz MICJQBFEYVURND-UHFFFAOYSA-N 0 0 430.577 5.219 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2C)cc1 ZINC000008913654 569485394 /nfs/dbraw/zinc/48/53/94/569485394.db2.gz GEDISXAOEOLFGO-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN COCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 ZINC000008914467 569485426 /nfs/dbraw/zinc/48/54/26/569485426.db2.gz RUZAREAIOWFWCL-QPLCGJKRSA-N 0 0 429.545 5.348 50 0 IKAARN FC(F)(F)Oc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 ZINC000008914116 569485450 /nfs/dbraw/zinc/48/54/50/569485450.db2.gz DJPZZLSBAQBSKK-UHFFFAOYSA-N 0 0 440.812 6.188 50 0 IKAARN COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccc(F)cc1 ZINC000008915142 569485499 /nfs/dbraw/zinc/48/54/99/569485499.db2.gz AGOTUNVKOQBIDD-UHFFFAOYSA-N 0 0 432.432 5.502 50 0 IKAARN Cc1ccc2nc(NC(=O)c3nc(SCc4ccc(F)cc4)ncc3Cl)sc2c1 ZINC000008915621 569485558 /nfs/dbraw/zinc/48/55/58/569485558.db2.gz NSYXHCVCOYMDFV-UHFFFAOYSA-N 0 0 444.944 5.732 50 0 IKAARN C[C@H]1C[C@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 ZINC000040070970 569485710 /nfs/dbraw/zinc/48/57/10/569485710.db2.gz KKLFOGLZDYVXNE-JTSKRJEESA-N 0 0 431.020 5.398 50 0 IKAARN Cc1cc2nc(Sc3nnc(-c4ccc(Br)cc4)o3)c3ccccc3n2n1 ZINC000040071368 569485759 /nfs/dbraw/zinc/48/57/59/569485759.db2.gz XYPIZPALRTXJEY-UHFFFAOYSA-N 0 0 438.310 5.155 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000008916725 569485776 /nfs/dbraw/zinc/48/57/76/569485776.db2.gz ZGSHVHGVQQMKFF-UHFFFAOYSA-N 0 0 441.837 5.833 50 0 IKAARN Cc1cc2nc(Sc3nnc(-c4ccncc4)n3Cc3ccccc3)c3ccccc3n2n1 ZINC000040071545 569485777 /nfs/dbraw/zinc/48/57/77/569485777.db2.gz MAWOECIMECAYSW-UHFFFAOYSA-N 0 0 449.543 5.044 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)nn2-c2ccccc2)cc1 ZINC000008917321 569485959 /nfs/dbraw/zinc/48/59/59/569485959.db2.gz GKWFJIDDSMBCOR-UHFFFAOYSA-N 0 0 433.895 5.462 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)cc(=O)c2c1 ZINC000008917652 569486034 /nfs/dbraw/zinc/48/60/34/569486034.db2.gz YQPVGLBYEIIFGX-UHFFFAOYSA-N 0 0 437.451 5.585 50 0 IKAARN COc1cc(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000008917417 569486036 /nfs/dbraw/zinc/48/60/36/569486036.db2.gz RIGYLUDLXQHNQJ-UHFFFAOYSA-N 0 0 430.888 5.193 50 0 IKAARN CCOP(=O)(OCC)c1nc(Cc2ccc(OC)cc2)oc1NCc1ccc(C)cc1 ZINC000008917447 569486047 /nfs/dbraw/zinc/48/60/47/569486047.db2.gz DACQFSZMOHCYJN-UHFFFAOYSA-N 0 0 444.468 5.086 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000008917828 569486078 /nfs/dbraw/zinc/48/60/78/569486078.db2.gz AVKOXLQFEXCUQS-SBRUMCDPSA-N 0 0 447.575 5.447 50 0 biogenic IKAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(OC(F)(F)F)cc1 ZINC000040074317 569486204 /nfs/dbraw/zinc/48/62/04/569486204.db2.gz OWPYVLDFOJAOPD-LBPRGKRZSA-N 0 0 440.368 5.328 50 0 IKAARN C[C@]12C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000008918221 569486219 /nfs/dbraw/zinc/48/62/19/569486219.db2.gz DJHFIIIIBKWQTJ-FQEVSTJZSA-N 0 0 433.817 5.080 50 0 biogenic IKAARN CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6CCCCO6)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 ZINC000008918223 569486224 /nfs/dbraw/zinc/48/62/24/569486224.db2.gz DNWMPSZEZKPTQK-LVZZVDRSSA-N 0 0 444.656 6.240 50 0 biogenic IKAARN CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000008918624 569486308 /nfs/dbraw/zinc/48/63/08/569486308.db2.gz ALRFUPNFCYXTHO-LLHNEZGQSA-N 0 0 448.607 5.600 50 0 biogenic IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21)c1ccc(Cl)s1 ZINC000008919003 569486388 /nfs/dbraw/zinc/48/63/88/569486388.db2.gz FNUAESFQPZXTQF-VWLOTQADSA-N 0 0 447.943 5.562 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000008919656 569486414 /nfs/dbraw/zinc/48/64/14/569486414.db2.gz APXHILLUAHEILA-AHKZPQOWSA-N 0 0 442.559 6.244 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000008919940 569486443 /nfs/dbraw/zinc/48/64/43/569486443.db2.gz TVOSNIIORABCIE-WAIKUNEKSA-N 0 0 434.605 6.880 50 0 IKAARN CCN(CC)C(=O)c1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000008920302 569486478 /nfs/dbraw/zinc/48/64/78/569486478.db2.gz PKWVHEJIQHMRPK-UHFFFAOYSA-N 0 0 430.939 6.176 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 ZINC000008920841 569486514 /nfs/dbraw/zinc/48/65/14/569486514.db2.gz ZFTYTBXTSCPOKI-HXPMCKFVSA-N 0 0 434.989 6.086 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000008920525 569486541 /nfs/dbraw/zinc/48/65/41/569486541.db2.gz WQSBSDJMMHQDEG-UHFFFAOYSA-N 0 0 428.532 7.003 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000008920882 569486542 /nfs/dbraw/zinc/48/65/42/569486542.db2.gz MTHVBNUESRSLER-QRQCRPRQSA-N 0 0 438.568 7.117 50 0 IKAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC(OCc2ccccc2)CC1 ZINC000040086608 569486727 /nfs/dbraw/zinc/48/67/27/569486727.db2.gz DBGLCGZHPMASAA-UHFFFAOYSA-N 0 0 429.564 5.098 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000008920897 569486780 /nfs/dbraw/zinc/48/67/80/569486780.db2.gz RDLMXSYGKOQUHY-PEBXRYMYSA-N 0 0 438.568 7.117 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1cccc2ccccc21 ZINC000008922014 569486850 /nfs/dbraw/zinc/48/68/50/569486850.db2.gz NFFKBUGCXUFEEA-MHZLTWQESA-N 0 0 441.914 5.501 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000008921955 569486867 /nfs/dbraw/zinc/48/68/67/569486867.db2.gz YURLWWZMCGHYJY-MHZLTWQESA-N 0 0 445.946 5.226 50 0 IKAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000008921745 569486891 /nfs/dbraw/zinc/48/68/91/569486891.db2.gz OWTPWMGPJHCQBY-IBGZPJMESA-N 0 0 441.484 5.091 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000008921947 569486899 /nfs/dbraw/zinc/48/68/99/569486899.db2.gz YURLWWZMCGHYJY-HHHXNRCGSA-N 0 0 445.946 5.226 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)c(C)c1 ZINC000008922022 569486900 /nfs/dbraw/zinc/48/69/00/569486900.db2.gz CAEJKNUQJRIMKO-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN Cc1cc(C)c(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1C ZINC000008922532 569486908 /nfs/dbraw/zinc/48/69/08/569486908.db2.gz UNBGJUKCDQEGHS-MHZLTWQESA-N 0 0 447.962 5.581 50 0 IKAARN Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2)C1=O ZINC000008922062 569486922 /nfs/dbraw/zinc/48/69/22/569486922.db2.gz FRHLCAYCXZYLFD-MHZLTWQESA-N 0 0 447.962 5.779 50 0 IKAARN CCOc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000008922633 569486942 /nfs/dbraw/zinc/48/69/42/569486942.db2.gz MVEHPHNDXUSVNY-AREMUKBSSA-N 0 0 449.934 5.055 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008922513 569486946 /nfs/dbraw/zinc/48/69/46/569486946.db2.gz GGLNYSPAGMWLQF-SSEXGKCCSA-N 0 0 447.534 5.669 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3cc(C)ccc3C)C2=O)cc1 ZINC000008922699 569486953 /nfs/dbraw/zinc/48/69/53/569486953.db2.gz VHVADVMLPQXBTF-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN CCCc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000008922887 569486999 /nfs/dbraw/zinc/48/69/99/569486999.db2.gz YWLOYUQWINBZNJ-MHZLTWQESA-N 0 0 447.962 5.608 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccs1 ZINC000008922818 569487024 /nfs/dbraw/zinc/48/70/24/569487024.db2.gz LVLLQSYBZDXGIB-OAQYLSRUSA-N 0 0 432.328 5.062 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccs1 ZINC000008923581 569487042 /nfs/dbraw/zinc/48/70/42/569487042.db2.gz XZBMQZXYDJFIBZ-OAQYLSRUSA-N 0 0 432.328 5.062 50 0 IKAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000008924156 569487114 /nfs/dbraw/zinc/48/71/14/569487114.db2.gz SIUFOOOEUFKCPZ-LBPRGKRZSA-N 0 0 427.530 5.308 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000008924158 569487124 /nfs/dbraw/zinc/48/71/24/569487124.db2.gz SIUFOOOEUFKCPZ-GFCCVEGCSA-N 0 0 427.530 5.308 50 0 IKAARN C[C@H](Oc1ccccc1)C(=O)NCCSc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000008924076 569487154 /nfs/dbraw/zinc/48/71/54/569487154.db2.gz KSOQKARNLNZFIR-KRWDZBQOSA-N 0 0 434.536 5.650 50 0 IKAARN Cc1ccccc1N(N=O)C1(c2nnnn2-c2ccccc2C)CCC(C(C)(C)C)CC1 ZINC000008926099 569487271 /nfs/dbraw/zinc/48/72/71/569487271.db2.gz FWZMKRSOTPDZBN-UHFFFAOYSA-N 0 0 432.572 5.899 50 0 IKAARN O=c1c2sccc2n2c(=S)sc(-c3ccccc3)c2n1Cc1ccccc1Cl ZINC000008932009 569487598 /nfs/dbraw/zinc/48/75/98/569487598.db2.gz KVSCMDJICANZSH-UHFFFAOYSA-N 0 0 441.002 6.475 50 0 IKAARN Cc1c(C[NH2+]CCc2c[nH]c3ccccc23)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932588 569487657 /nfs/dbraw/zinc/48/76/57/569487657.db2.gz CUAZVCDSHXXFEL-UHFFFAOYSA-N 0 0 429.564 5.282 50 0 IKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000008932546 569487710 /nfs/dbraw/zinc/48/77/10/569487710.db2.gz AMNQGMUHFXFKTC-OAHLLOKOSA-N 0 0 428.935 5.537 50 0 IKAARN C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000008938522 569488201 /nfs/dbraw/zinc/48/82/01/569488201.db2.gz BWIHTGCPHWOMQD-QMMMGPOBSA-N 0 0 429.712 5.441 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)ccc2c1 ZINC000008939252 569488252 /nfs/dbraw/zinc/48/82/52/569488252.db2.gz PKMAPBLXQSTLCQ-HNNXBMFYSA-N 0 0 425.912 5.083 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1SCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008940079 569488370 /nfs/dbraw/zinc/48/83/70/569488370.db2.gz ZNJRLJLLPYQYKJ-FQEVSTJZSA-N 0 0 448.617 5.555 50 0 IKAARN CCc1ccc(-c2nc(SCc3csc(-c4cccc(OC)c4OC)n3)n[nH]2)cc1 ZINC000008942027 569488622 /nfs/dbraw/zinc/48/86/22/569488622.db2.gz CPBWEHXYQAYPMP-UHFFFAOYSA-N 0 0 438.578 5.467 50 0 IKAARN O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000008942195 569488696 /nfs/dbraw/zinc/48/86/96/569488696.db2.gz KUTONPLEDLJDPF-UHFFFAOYSA-N 0 0 435.527 5.274 50 0 IKAARN COc1cccc(-c2nnc(SCCCC(=O)c3ccc(Br)cc3)n2C)c1 ZINC000008943215 569488755 /nfs/dbraw/zinc/48/87/55/569488755.db2.gz VMRUPQKBKNGETF-UHFFFAOYSA-N 0 0 446.370 5.008 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Br)o1 ZINC000008943669 569488807 /nfs/dbraw/zinc/48/88/07/569488807.db2.gz NPEUHSQHUHGFHA-UHFFFAOYSA-N 0 0 431.233 5.361 50 0 IKAARN O=C(Nc1ccc(NC(=O)N2CCc3ccccc3C2)c(C(F)(F)F)c1)c1ccoc1 ZINC000040120562 569489517 /nfs/dbraw/zinc/48/95/17/569489517.db2.gz HHJRUSQHXBYQMQ-UHFFFAOYSA-N 0 0 429.398 5.141 50 0 IKAARN Cc1cccc(OCCNC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000040123055 569489704 /nfs/dbraw/zinc/48/97/04/569489704.db2.gz UAMGRHTWWOTKCZ-IBGZPJMESA-N 0 0 432.524 5.078 50 0 IKAARN Cc1oc(-c2cccs2)nc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000040128948 569489732 /nfs/dbraw/zinc/48/97/32/569489732.db2.gz LJEWCZSMTISKOS-CQSZACIVSA-N 0 0 425.535 5.147 50 0 IKAARN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CSc1ccc(CC)cc1 ZINC000008951203 569489821 /nfs/dbraw/zinc/48/98/21/569489821.db2.gz FWQRZWCSRYHELS-UHFFFAOYSA-N 0 0 448.382 5.678 50 0 IKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000008951290 569489857 /nfs/dbraw/zinc/48/98/57/569489857.db2.gz RQLYXTICVMYTGV-UHFFFAOYSA-N 0 0 440.657 6.450 50 0 IKAARN Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(Br)cc1)C(C)(C)N2 ZINC000008951515 569489861 /nfs/dbraw/zinc/48/98/61/569489861.db2.gz DOFOWLRRNHBXIU-QOCHGBHMSA-N 0 0 431.424 6.749 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccc(Cl)c1 ZINC000008952094 569490005 /nfs/dbraw/zinc/49/00/05/569490005.db2.gz OMYPWAHTLDMRJJ-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN Cc1ccc(Cn2c(SCc3nc(-c4ccccc4)no3)nc3ccccc3c2=O)cc1 ZINC000008954426 569490068 /nfs/dbraw/zinc/49/00/68/569490068.db2.gz CPYKHTSJHJJWOZ-UHFFFAOYSA-N 0 0 440.528 5.096 50 0 IKAARN CCOc1cc(C(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc(OCC)c1OCC ZINC000008956142 569490235 /nfs/dbraw/zinc/49/02/35/569490235.db2.gz BSANCCYXTRJODI-UHFFFAOYSA-N 0 0 434.945 5.707 50 0 IKAARN CCOc1cc(C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc(OCC)c1OCC ZINC000008956138 569490262 /nfs/dbraw/zinc/49/02/62/569490262.db2.gz LZMVNUWLZZPFCI-UHFFFAOYSA-N 0 0 434.945 5.707 50 0 IKAARN CC(C)CN1c2ccc(NC(=O)c3cccc(Br)c3)cc2OCC(C)(C)C1=O ZINC000008959076 569490268 /nfs/dbraw/zinc/49/02/68/569490268.db2.gz RKLZKPHMJIXEGP-UHFFFAOYSA-N 0 0 445.357 5.109 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2Cl)cc1OC ZINC000040134644 569490562 /nfs/dbraw/zinc/49/05/62/569490562.db2.gz JNPUJZMBIJMNRQ-UHFFFAOYSA-N 0 0 426.738 5.851 50 0 IKAARN Cn1ccnc1COc1ccc(NC(=O)CSc2cccc3cccc(Cl)c32)cc1 ZINC000040134892 569490616 /nfs/dbraw/zinc/49/06/16/569490616.db2.gz PIUNAXIRCPIPBC-UHFFFAOYSA-N 0 0 437.952 5.537 50 0 IKAARN O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)Nc1ccc(F)cc1Cl ZINC000040135366 569490693 /nfs/dbraw/zinc/49/06/93/569490693.db2.gz DKHFYCVUQKPODJ-UHFFFAOYSA-N 0 0 440.689 6.024 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)cc1F ZINC000040135347 569490707 /nfs/dbraw/zinc/49/07/07/569490707.db2.gz TZRWOOHDYMWNHF-OKILXGFUSA-N 0 0 435.902 5.072 50 0 IKAARN COc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1OC1CCCC1 ZINC000040139450 569490887 /nfs/dbraw/zinc/49/08/87/569490887.db2.gz ZIWOURIUWDAAJS-UHFFFAOYSA-N 0 0 426.900 5.236 50 0 IKAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc1O2 ZINC000008961330 569490942 /nfs/dbraw/zinc/49/09/42/569490942.db2.gz KTYMEFRCOWZYPH-UHFFFAOYSA-N 0 0 428.897 5.116 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1=O ZINC000008961130 569490966 /nfs/dbraw/zinc/49/09/66/569490966.db2.gz CMMNXTCAHZLEEJ-UHFFFAOYSA-N 0 0 448.544 5.139 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2C1=O ZINC000008961158 569490997 /nfs/dbraw/zinc/49/09/97/569490997.db2.gz CDJZOPATXSSUQD-UHFFFAOYSA-N 0 0 442.924 5.222 50 0 IKAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc1O2 ZINC000008961331 569491001 /nfs/dbraw/zinc/49/10/01/569491001.db2.gz MLRGOLSMMPCKGF-UHFFFAOYSA-N 0 0 428.897 5.116 50 0 IKAARN CCOc1cc(-c2ccc(OC)c(OC)c2)c/c(=N\c2ccccc2N)c2c(C)oc(C)c21 ZINC000008964812 569491287 /nfs/dbraw/zinc/49/12/87/569491287.db2.gz XCGXHBROELKGQD-QUPMIFSKSA-N 0 0 444.531 5.947 50 0 biogenic IKAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965257 569491409 /nfs/dbraw/zinc/49/14/09/569491409.db2.gz KDSNXPKLPSFRRD-QHCPKHFHSA-N 0 0 428.536 5.011 50 0 IKAARN Cc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000008965586 569491505 /nfs/dbraw/zinc/49/15/05/569491505.db2.gz OKGTZSFFWPWIPV-UHFFFAOYSA-N 0 0 442.625 5.669 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008965767 569491555 /nfs/dbraw/zinc/49/15/55/569491555.db2.gz BYIHVCMXYAWBSV-GOSISDBHSA-N 0 0 436.562 5.181 50 0 IKAARN Cc1nc(SCc2csc(CC(=O)Nc3ccccc3C)n2)n(CC(C)C)c1C ZINC000008965964 569491591 /nfs/dbraw/zinc/49/15/91/569491591.db2.gz FKNXAMIIBHKYCD-UHFFFAOYSA-N 0 0 428.627 5.394 50 0 IKAARN Clc1ccccc1OCc1nnc(SCc2nc(-c3cccs3)no2)n1C1CC1 ZINC000008966049 569491656 /nfs/dbraw/zinc/49/16/56/569491656.db2.gz OBZNRGLJVASOMC-UHFFFAOYSA-N 0 0 445.957 5.249 50 0 IKAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000008965999 569491668 /nfs/dbraw/zinc/49/16/68/569491668.db2.gz BAPUPDVGHSPLIY-MUUNZHRXSA-N 0 0 434.495 5.157 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1C1CCCCC1 ZINC000008966060 569491677 /nfs/dbraw/zinc/49/16/77/569491677.db2.gz ZKXNEHGLDYKWNI-UHFFFAOYSA-N 0 0 434.565 5.054 50 0 IKAARN Cc1nn(C)c(Cl)c1C(=O)N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000040142332 569491811 /nfs/dbraw/zinc/49/18/11/569491811.db2.gz KEBQQDZWMITXFU-UHFFFAOYSA-N 0 0 442.894 5.030 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000040142380 569491813 /nfs/dbraw/zinc/49/18/13/569491813.db2.gz XUODORVQWOOSLE-UHFFFAOYSA-N 0 0 446.469 6.096 50 0 IKAARN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)c1 ZINC000040146615 569492301 /nfs/dbraw/zinc/49/23/01/569492301.db2.gz CFPSTSCLHIPYQZ-AREMUKBSSA-N 0 0 441.575 5.339 50 0 IKAARN Cc1ccnc(NC(=O)C2CCN(c3nc(C)nc4scc(-c5cccs5)c43)CC2)c1 ZINC000040149383 569492493 /nfs/dbraw/zinc/49/24/93/569492493.db2.gz FWNHNVJSRWUJCA-UHFFFAOYSA-N 0 0 449.605 5.287 50 0 IKAARN COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 ZINC000008973308 569492788 /nfs/dbraw/zinc/49/27/88/569492788.db2.gz LVBWAEQWXWGWQZ-UHFFFAOYSA-N 0 0 430.460 5.249 50 0 IKAARN CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)c(C)nn32)cc1 ZINC000008974458 569492892 /nfs/dbraw/zinc/49/28/92/569492892.db2.gz SKVMIXHAFIKFAW-UHFFFAOYSA-N 0 0 447.970 6.358 50 0 IKAARN Cc1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)ccc1Cl ZINC000008974155 569492906 /nfs/dbraw/zinc/49/29/06/569492906.db2.gz AOCWVDAUIULEII-HNNXBMFYSA-N 0 0 431.985 6.346 50 0 IKAARN Cc1c2cccc(Cl)c2oc1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000040155108 569493849 /nfs/dbraw/zinc/49/38/49/569493849.db2.gz OLYAWLNAWAFXJO-UHFFFAOYSA-N 0 0 448.744 5.593 50 0 IKAARN O=C(Nc1ccccc1)[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1 ZINC000040155585 569493927 /nfs/dbraw/zinc/49/39/27/569493927.db2.gz YOCBZRLVVJKWPP-NRFANRHFSA-N 0 0 425.517 5.250 50 0 IKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1COc1ccccc1 ZINC000040157008 569494235 /nfs/dbraw/zinc/49/42/35/569494235.db2.gz HZXJEJLVAJJFFD-UHFFFAOYSA-N 0 0 433.895 5.540 50 0 IKAARN CCn1c(SCCn2cccn2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000040157813 569494375 /nfs/dbraw/zinc/49/43/75/569494375.db2.gz KEWPCNAUUPNWBM-UHFFFAOYSA-N 0 0 426.549 5.169 50 0 IKAARN O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000008984472 569494740 /nfs/dbraw/zinc/49/47/40/569494740.db2.gz ZXXATUVQVXOJBR-SPRIRYNYSA-N 0 0 429.470 5.797 50 0 IKAARN COc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc32)cc1 ZINC000008985653 569494797 /nfs/dbraw/zinc/49/47/97/569494797.db2.gz FFDCPNMCVCOXLM-UHFFFAOYSA-N 0 0 443.510 6.388 50 0 IKAARN CN(CCOC(c1ccccc1)c1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000008986776 569494839 /nfs/dbraw/zinc/49/48/39/569494839.db2.gz ABTRGWPQNUHGRO-UHFFFAOYSA-N 0 0 443.374 5.670 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1 ZINC000008987317 569494864 /nfs/dbraw/zinc/49/48/64/569494864.db2.gz AYBYRTOJDOGWIN-KRWDZBQOSA-N 0 0 443.528 5.086 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000008990312 569495006 /nfs/dbraw/zinc/49/50/06/569495006.db2.gz PEWNTUATDXTYMF-UHFFFAOYSA-N 0 0 439.265 5.224 50 0 IKAARN C[C@@H](NC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)c1ccccc1 ZINC000008990916 569495206 /nfs/dbraw/zinc/49/52/06/569495206.db2.gz QPRZSQOCGJVQTR-MRXNPFEDSA-N 0 0 433.891 5.370 50 0 IKAARN Cc1cc2oc(=O)c(CC(=O)Nc3ccc4c(c3)OCO4)c(C)c2c2occ(C(C)(C)C)c21 ZINC000008991008 569495230 /nfs/dbraw/zinc/49/52/30/569495230.db2.gz XJXJRQHUHWDPNP-UHFFFAOYSA-N 0 0 447.487 5.363 50 0 IKAARN CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)oc(C)c(Oc2ccccc2)c3=O)cc1 ZINC000008991492 569495302 /nfs/dbraw/zinc/49/53/02/569495302.db2.gz FQIOXAJLNAZPIR-UHFFFAOYSA-N 0 0 443.455 5.114 50 0 IKAARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)c2ccc(C)cc2)c1-c1nc2ccccc2[nH]1 ZINC000008995091 569495611 /nfs/dbraw/zinc/49/56/11/569495611.db2.gz KNLJUGAYBLLGDO-FQEVSTJZSA-N 0 0 428.536 5.388 50 0 IKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1O ZINC000008996125 569495756 /nfs/dbraw/zinc/49/57/56/569495756.db2.gz ADGUYVXWIKOBBI-UHFFFAOYSA-N 0 0 441.314 6.344 50 0 IKAARN COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 ZINC000008996176 569495760 /nfs/dbraw/zinc/49/57/60/569495760.db2.gz JSJMSYWLHCZLEO-UHFFFAOYSA-N 0 0 434.423 5.079 50 0 IKAARN CCCCCOC(=O)CSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 ZINC000008997310 569495858 /nfs/dbraw/zinc/49/58/58/569495858.db2.gz ZCHPKKQWNXTMTR-UHFFFAOYSA-N 0 0 443.638 5.896 50 0 IKAARN Cc1ccccc1NCc1ccc(N2N=C(c3ccccc3)C(C)(C)[C@H]2c2ccccc2)cc1 ZINC000008997563 569495891 /nfs/dbraw/zinc/49/58/91/569495891.db2.gz IHMVJDJBZLGPBN-SSEXGKCCSA-N 0 0 445.610 7.599 50 0 IKAARN C[C@H]1C(=C\n2c3ccccc3c3ccccc32)/C(=C/n2c3ccccc3c3ccccc32)[C@H]1C ZINC000040199519 569496044 /nfs/dbraw/zinc/49/60/44/569496044.db2.gz WJUHNDPIQIUKEY-NMTAGOJOSA-N 0 0 438.574 8.570 50 0 IKAARN Cn1c2ccccc2nc1-c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000009002135 569496081 /nfs/dbraw/zinc/49/60/81/569496081.db2.gz TWUYOJHYDXBZRT-UHFFFAOYSA-N 0 0 438.922 5.422 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009008683 569496302 /nfs/dbraw/zinc/49/63/02/569496302.db2.gz JKTNYDSHFOEPRS-AHKZPQOWSA-N 0 0 428.532 6.116 50 0 IKAARN COc1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1NC(=O)c1cccs1 ZINC000009010432 569496417 /nfs/dbraw/zinc/49/64/17/569496417.db2.gz ZZWRVJAJJLTDIG-UHFFFAOYSA-N 0 0 438.549 5.458 50 0 IKAARN COC1CCN(c2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000244909646 569496461 /nfs/dbraw/zinc/49/64/61/569496461.db2.gz AOVZSQQEABPXLY-UHFFFAOYSA-N 0 0 428.576 5.254 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(COc5cccc6ccccc65)nc4c23)C1 ZINC000009011774 569496467 /nfs/dbraw/zinc/49/64/67/569496467.db2.gz QHNLVOFNAKBYJD-KRWDZBQOSA-N 0 0 442.588 6.222 50 0 IKAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2N1CCN(c2ccc(Cl)cc2)CC1 ZINC000040216795 569496487 /nfs/dbraw/zinc/49/64/87/569496487.db2.gz PSDPUDZYOWZHKP-UHFFFAOYSA-N 0 0 431.971 5.302 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccsc2)cc1 ZINC000244933110 569496515 /nfs/dbraw/zinc/49/65/15/569496515.db2.gz CBVHLARBEPMQLF-FPOVZHCZSA-N 0 0 441.350 5.762 50 0 IKAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000244975125 569496675 /nfs/dbraw/zinc/49/66/75/569496675.db2.gz ICJLCUDXOOLXTF-QFIPXVFZSA-N 0 0 432.010 5.327 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccccc2)n1 ZINC000009015200 569496682 /nfs/dbraw/zinc/49/66/82/569496682.db2.gz DPMNEGULJGOWCD-KBMIEXCESA-N 0 0 439.515 5.824 50 0 IKAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000009019537 569496920 /nfs/dbraw/zinc/49/69/20/569496920.db2.gz KCBUJYFAIPMFIE-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN CCCCc1nc2sc3c(ncnc3SCC(=O)Nc3ccccn3)c2c2c1CCC2 ZINC000009019638 569496925 /nfs/dbraw/zinc/49/69/25/569496925.db2.gz XCTJVRZCDKNTPM-UHFFFAOYSA-N 0 0 449.605 5.197 50 0 IKAARN Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009027238 569497037 /nfs/dbraw/zinc/49/70/37/569497037.db2.gz NWKNMLIBUOWDLP-UHFFFAOYSA-N 0 0 448.514 5.529 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 ZINC000009031511 569497090 /nfs/dbraw/zinc/49/70/90/569497090.db2.gz SZBAWOYCLMZJDQ-DEQUOLNYSA-N 0 0 428.963 6.938 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 ZINC000040257524 569497104 /nfs/dbraw/zinc/49/71/04/569497104.db2.gz IXRQAAHIJUDIRQ-NRFANRHFSA-N 0 0 425.532 5.198 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000009033121 569497166 /nfs/dbraw/zinc/49/71/66/569497166.db2.gz ILMDZPHZUORDBY-WMZHIEFXSA-N 0 0 447.362 5.831 50 0 biogenic IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2oc1-c1ccccc1 ZINC000009034248 569497235 /nfs/dbraw/zinc/49/72/35/569497235.db2.gz KJPYHUGBCVKURD-UHFFFAOYSA-N 0 0 446.455 5.513 50 0 biogenic IKAARN CC(C)c1cccc2sc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)nc21 ZINC000009037197 569497301 /nfs/dbraw/zinc/49/73/01/569497301.db2.gz RDOVKESCCYYXMR-UHFFFAOYSA-N 0 0 444.585 6.271 50 0 IKAARN CC(C)Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000009041983 569497700 /nfs/dbraw/zinc/49/77/00/569497700.db2.gz NIFJYAHTPLYRHT-LITSAYRRSA-N 0 0 434.539 6.869 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)CCc3ccccc3)C3CCCCC3)n2)cc1OC ZINC000009042773 569497748 /nfs/dbraw/zinc/49/77/48/569497748.db2.gz NNLLYCCLPKEWKK-UHFFFAOYSA-N 0 0 449.551 5.048 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000009045640 569498110 /nfs/dbraw/zinc/49/81/10/569498110.db2.gz BPXVUADICNNCFX-HOFKKMOUSA-N 0 0 428.532 6.070 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000009045637 569498133 /nfs/dbraw/zinc/49/81/33/569498133.db2.gz BPXVUADICNNCFX-WNCULLNHSA-N 0 0 428.532 6.070 50 0 IKAARN CC(C)Oc1ccc(CSc2nc(=O)c3c4c(sc3[nH]2)CSC(C)(C)C4)cc1 ZINC000009046332 569498322 /nfs/dbraw/zinc/49/83/22/569498322.db2.gz MPGBLTMXKSGQFN-UHFFFAOYSA-N 0 0 432.636 5.632 50 0 IKAARN Cc1oc2cc(OCC(=O)N[C@@H]3CCCc4ccccc43)ccc2c(=O)c1-c1ccccc1 ZINC000009048454 569498474 /nfs/dbraw/zinc/49/84/74/569498474.db2.gz RLHIGQQXAHRGQX-XMMPIXPASA-N 0 0 439.511 5.341 50 0 biogenic IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000009049566 569498542 /nfs/dbraw/zinc/49/85/42/569498542.db2.gz SSOHQLPNCWJKJC-UHFFFAOYSA-N 0 0 448.979 5.686 50 0 IKAARN COc1cc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc(OC)c1OC ZINC000009050499 569498625 /nfs/dbraw/zinc/49/86/25/569498625.db2.gz RYOHDGROYXBPAG-ZDUSSCGKSA-N 0 0 438.911 5.743 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccc(Br)cc2)c(C)c1 ZINC000040307579 569498664 /nfs/dbraw/zinc/49/86/64/569498664.db2.gz RABAKOCEVFSAQN-UHFFFAOYSA-N 0 0 434.337 5.721 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009056216 569498968 /nfs/dbraw/zinc/49/89/68/569498968.db2.gz LYHFUGQFEABHHT-MRXNPFEDSA-N 0 0 432.574 6.068 50 0 IKAARN COC(=O)c1cc(CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)oc1C ZINC000009056289 569499027 /nfs/dbraw/zinc/49/90/27/569499027.db2.gz VCPBVIZXSKRPOM-UHFFFAOYSA-N 0 0 449.532 5.232 50 0 IKAARN Clc1ccccc1OCc1nnc(SCc2nc3ccccc3s2)n1C1CC1 ZINC000009056647 569499094 /nfs/dbraw/zinc/49/90/94/569499094.db2.gz APHKBAIZJIBKCZ-UHFFFAOYSA-N 0 0 428.970 5.747 50 0 IKAARN CCCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000009057627 569499129 /nfs/dbraw/zinc/49/91/29/569499129.db2.gz BTTFXCVYZPNVNL-WNJJXGMVSA-N 0 0 434.539 6.871 50 0 IKAARN C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)c1ccc(-c2ccccc2)cc1 ZINC000009056821 569499133 /nfs/dbraw/zinc/49/91/33/569499133.db2.gz UOLXJNIVUMHQEU-KRWDZBQOSA-N 0 0 432.524 5.043 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000009057195 569499142 /nfs/dbraw/zinc/49/91/42/569499142.db2.gz USYJKVNHOFDTJT-GGPYAICQSA-N 0 0 426.947 6.777 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000009057975 569499205 /nfs/dbraw/zinc/49/92/05/569499205.db2.gz UPXUPHYTDUYMDV-DEOSSOPVSA-N 0 0 431.923 5.025 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@@H]2CCCC[C@H]12 ZINC000009059394 569499310 /nfs/dbraw/zinc/49/93/10/569499310.db2.gz QANJKHRCIWLGFM-XAVVYEHISA-N 0 0 446.517 5.584 50 0 IKAARN COc1ccc(C2=N/C(=C3/C=C(c4ccc(SC)cc4)Oc4ccccc43)C(=O)O2)cc1 ZINC000009059167 569499344 /nfs/dbraw/zinc/49/93/44/569499344.db2.gz LNASVQLOVLQPOC-FLFQWRMESA-N 0 0 441.508 5.565 50 0 IKAARN CO[C@H]1C=C2CC[C@@H]3[C@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000245227314 569499645 /nfs/dbraw/zinc/49/96/45/569499645.db2.gz BNOQCYMVNKKTQV-ZPGBLRTNSA-N 0 0 430.658 5.221 50 0 IKAARN O=P(Nc1ccc(Cl)cc1F)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000009065543 569499674 /nfs/dbraw/zinc/49/96/74/569499674.db2.gz XWBHVYOOBXQKJV-UHFFFAOYSA-N 0 0 446.629 7.464 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000009066015 569499873 /nfs/dbraw/zinc/49/98/73/569499873.db2.gz ZTXVXQYFQRBAAP-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009066591 569499910 /nfs/dbraw/zinc/49/99/10/569499910.db2.gz DXEFUKFKUMSOOP-YWZLYKJASA-N 0 0 433.371 5.339 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@@H]1c1cccs1 ZINC000245228569 569499916 /nfs/dbraw/zinc/49/99/16/569499916.db2.gz QCGMHMOKJONPFY-WNMFUDOWSA-N 0 0 438.637 5.626 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@H]1c1cccs1 ZINC000245228568 569499962 /nfs/dbraw/zinc/49/99/62/569499962.db2.gz QCGMHMOKJONPFY-POXSWPDKSA-N 0 0 438.637 5.626 50 0 IKAARN C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000009067896 569500006 /nfs/dbraw/zinc/50/00/06/569500006.db2.gz TWTYNJSLPNELOU-NTCAYCPXSA-N 0 0 431.026 5.814 50 0 IKAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1 ZINC000009068861 569500044 /nfs/dbraw/zinc/50/00/44/569500044.db2.gz IAQXOEDBIGUBBL-CVYRBCPQSA-N 0 0 426.516 5.403 50 0 IKAARN C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000069303635 569500173 /nfs/dbraw/zinc/50/01/73/569500173.db2.gz IJFYZAMCEYQWHH-JTQLQIEISA-N 0 0 437.892 5.094 50 0 IKAARN CCOc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009071743 569500196 /nfs/dbraw/zinc/50/01/96/569500196.db2.gz JPHVQXGACIGRCC-UHFFFAOYSA-N 0 0 427.504 5.161 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2C)c1 ZINC000009075857 569500221 /nfs/dbraw/zinc/50/02/21/569500221.db2.gz FEIQDEZRMOXBLN-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000009075423 569500230 /nfs/dbraw/zinc/50/02/30/569500230.db2.gz XDVFYFCTFGIXLK-UBFVSLLYSA-N 0 0 438.458 5.030 50 0 IKAARN Clc1cc(Br)ccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 ZINC000009075926 569500262 /nfs/dbraw/zinc/50/02/62/569500262.db2.gz QXCPRZBJRJOZGK-UHFFFAOYSA-N 0 0 425.673 5.645 50 0 IKAARN FC(F)(F)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009076272 569500313 /nfs/dbraw/zinc/50/03/13/569500313.db2.gz WTXRAXOOLHNSNI-RBBKRZOGSA-N 0 0 428.841 6.601 50 0 IKAARN CSc1nnc(CCCNC(=O)c2ccc(-c3ccc(F)cc3)s2)n1C1CCCC1 ZINC000009076895 569500353 /nfs/dbraw/zinc/50/03/53/569500353.db2.gz NLYCFAGSSRXVGK-UHFFFAOYSA-N 0 0 444.601 5.345 50 0 IKAARN CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F ZINC000009086151 569500633 /nfs/dbraw/zinc/50/06/33/569500633.db2.gz DPRJHEKEVFEADQ-QFIPXVFZSA-N 0 0 433.552 5.448 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000245240395 569500649 /nfs/dbraw/zinc/50/06/49/569500649.db2.gz PUIMAPHAOQJZBM-AEVIGOTDSA-N 0 0 449.620 5.058 50 0 IKAARN COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2c(F)cccc2Cl)cc1O ZINC000009089034 569500874 /nfs/dbraw/zinc/50/08/74/569500874.db2.gz MWIBKNDNPQAWDP-UHFFFAOYSA-N 0 0 438.886 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ZINC000040389663 569500998 /nfs/dbraw/zinc/50/09/98/569500998.db2.gz JXLPFGXRPIFSTN-UHFFFAOYSA-N 0 0 429.520 5.864 50 0 IKAARN Cc1cccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3Cl)n2)c1 ZINC000009095314 569501311 /nfs/dbraw/zinc/50/13/11/569501311.db2.gz RRULPZAOIKUWFI-UHFFFAOYSA-N 0 0 434.323 5.169 50 0 IKAARN COc1ccccc1NC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 ZINC000009101202 569501751 /nfs/dbraw/zinc/50/17/51/569501751.db2.gz SUASWDUBBLITKH-UHFFFAOYSA-N 0 0 449.457 5.050 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)o2)cc1 ZINC000245265026 569501785 /nfs/dbraw/zinc/50/17/85/569501785.db2.gz FSIBKOHHWYESGA-WOCWXWTJSA-N 0 0 430.618 5.004 50 0 IKAARN CCOc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@@H](C)[C@H]5C)cc4sc3n2)cc1 ZINC000245276278 569501875 /nfs/dbraw/zinc/50/18/75/569501875.db2.gz RPPDCAROKWWADW-CBGDNZLLSA-N 0 0 447.604 6.169 50 0 IKAARN Cc1ccc2cc(CN=Nc3nc4ccc(C)cc4c(-c4ccccc4)n3)c(Cl)nc2c1 ZINC000245284260 569502201 /nfs/dbraw/zinc/50/22/01/569502201.db2.gz 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CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)cc1 ZINC000245296007 569502423 /nfs/dbraw/zinc/50/24/23/569502423.db2.gz IZPFMOVSUDCCJC-WPKJTTLRSA-N 0 0 448.632 5.670 50 0 IKAARN CC1=C(c2ccccc2)[C@@H]2N3N(CC2(C)C)[C@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@]13C ZINC000245297661 569502425 /nfs/dbraw/zinc/50/24/25/569502425.db2.gz WGANOYMMECCSOW-IEVQEWPMSA-N 0 0 448.610 6.268 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 ZINC000009114024 569502568 /nfs/dbraw/zinc/50/25/68/569502568.db2.gz GWSQTMKXKRNSQO-BWKNWUBXSA-N 0 0 431.536 5.064 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 ZINC000009114021 569502574 /nfs/dbraw/zinc/50/25/74/569502574.db2.gz GWSQTMKXKRNSQO-SQJMNOBHSA-N 0 0 431.536 5.064 50 0 IKAARN COc1ccccc1CC[NH2+]Cc1c2ccc(C)cc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000009114854 569502605 /nfs/dbraw/zinc/50/26/05/569502605.db2.gz XDYLWRPXFNRUTK-UHFFFAOYSA-N 0 0 446.522 5.176 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000245311395 569502607 /nfs/dbraw/zinc/50/26/07/569502607.db2.gz OXRDWATYMRNBEQ-VLWCASSMSA-N 0 0 440.897 5.600 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000245311396 569502632 /nfs/dbraw/zinc/50/26/32/569502632.db2.gz OXRDWATYMRNBEQ-ZDFLXESQSA-N 0 0 440.897 5.600 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Br)c(C)c2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000009114872 569502652 /nfs/dbraw/zinc/50/26/52/569502652.db2.gz ZJYDFOBMNZEFKC-UHFFFAOYSA-N 0 0 442.309 5.808 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CCCN1c2cccnc2Sc2ccccc2C1=O ZINC000009114952 569502655 /nfs/dbraw/zinc/50/26/55/569502655.db2.gz HDZCSLFPVJQNDO-UHFFFAOYSA-N 0 0 437.952 5.574 50 0 IKAARN CC1=C(C(=O)Nc2cc(Cl)ccc2C(=O)N[C@H]2CCCc3ccccc32)SCCO1 ZINC000009115206 569502708 /nfs/dbraw/zinc/50/27/08/569502708.db2.gz PHDWTSTWBUOBNJ-IBGZPJMESA-N 0 0 442.968 5.081 50 0 IKAARN COc1ccccc1CNC(=O)CCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000009116034 569502841 /nfs/dbraw/zinc/50/28/41/569502841.db2.gz OCPGQAOZVUMKNM-UHFFFAOYSA-N 0 0 432.951 5.601 50 0 IKAARN COc1ccc(CNC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1OC ZINC000009116109 569502882 /nfs/dbraw/zinc/50/28/82/569502882.db2.gz YRTRAIKQFCUBKT-UHFFFAOYSA-N 0 0 446.522 5.095 50 0 IKAARN CCCCSc1nc(-c2ccc(Cl)cc2)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000009116240 569502925 /nfs/dbraw/zinc/50/29/25/569502925.db2.gz SVPJKUHUMZSCNQ-UHFFFAOYSA-N 0 0 427.957 5.581 50 0 IKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccccc3Cl)c3ccccc32)c1 ZINC000009116129 569502931 /nfs/dbraw/zinc/50/29/31/569502931.db2.gz NYVKYBHANFOTEV-UHFFFAOYSA-N 0 0 430.979 6.209 50 0 IKAARN COc1ccc(Cl)cc1N(C)C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000009117181 569503099 /nfs/dbraw/zinc/50/30/99/569503099.db2.gz ALWBCRVRIWOGOY-UHFFFAOYSA-N 0 0 427.907 5.354 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5c(C)cccc5C)CC4)sc3n2)cc1 ZINC000009117284 569503110 /nfs/dbraw/zinc/50/31/10/569503110.db2.gz FQCGJOURBZKDCL-UHFFFAOYSA-N 0 0 445.592 5.238 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccc(C)cc5C)CC4)sc3n2)cc1 ZINC000009117296 569503113 /nfs/dbraw/zinc/50/31/13/569503113.db2.gz IYLPJCZXDAZQKX-UHFFFAOYSA-N 0 0 445.592 5.238 50 0 IKAARN Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)c(C)c1 ZINC000009118311 569503253 /nfs/dbraw/zinc/50/32/53/569503253.db2.gz AKGKRVOZGXYSKY-UHFFFAOYSA-N 0 0 435.593 5.001 50 0 IKAARN Cc1cccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)c1C ZINC000009118310 569503279 /nfs/dbraw/zinc/50/32/79/569503279.db2.gz WMEVQXHKLFWMAQ-UHFFFAOYSA-N 0 0 435.593 5.001 50 0 IKAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N(C)Cc3ccc(O)cc3)cc12 ZINC000069377629 569503420 /nfs/dbraw/zinc/50/34/20/569503420.db2.gz XNWROMVLTICVQC-UHFFFAOYSA-N 0 0 445.466 5.392 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccsc3)=NN2C(C)=O)cc1 ZINC000069375159 569503469 /nfs/dbraw/zinc/50/34/69/569503469.db2.gz CJMXCOCAKXEJEL-DEOSSOPVSA-N 0 0 442.544 5.307 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccco3)n2)cc1 ZINC000009119862 569503667 /nfs/dbraw/zinc/50/36/67/569503667.db2.gz RWPLDFXDKPDUBM-IBGZPJMESA-N 0 0 434.546 5.779 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c(C)n1C[C@@H]1CCCO1 ZINC000009120313 569503804 /nfs/dbraw/zinc/50/38/04/569503804.db2.gz UCFXZLDTPOFDSI-SFHVURJKSA-N 0 0 442.610 5.162 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@H]1C ZINC000245327895 569503877 /nfs/dbraw/zinc/50/38/77/569503877.db2.gz KYLIETCCYAUOQG-SJORKVTESA-N 0 0 448.970 5.315 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)cc1 ZINC000009122076 569504162 /nfs/dbraw/zinc/50/41/62/569504162.db2.gz GELAIDRTICEJSY-NZQKXSOJSA-N 0 0 441.369 5.586 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1F ZINC000069383062 569504165 /nfs/dbraw/zinc/50/41/65/569504165.db2.gz HLOOAXQRZCIUQS-QHCPKHFHSA-N 0 0 425.463 5.032 50 0 IKAARN CCc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000009124607 569504328 /nfs/dbraw/zinc/50/43/28/569504328.db2.gz 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CC[C@@H](C(=O)Nc1c(C)cccc1C)n1c(SCc2ccc(C)cc2)nc2cccnc21 ZINC000009153286 569508112 /nfs/dbraw/zinc/50/81/12/569508112.db2.gz PEWQUXOHIWXVPT-QFIPXVFZSA-N 0 0 444.604 6.239 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C ZINC000009154391 569508213 /nfs/dbraw/zinc/50/82/13/569508213.db2.gz WTERGUJZEOUSIB-ZDUSSCGKSA-N 0 0 430.913 5.039 50 0 IKAARN C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000009154045 569508217 /nfs/dbraw/zinc/50/82/17/569508217.db2.gz OEGNIJUXSMFDNP-OLZOCXBDSA-N 0 0 448.038 5.775 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 ZINC000009155873 569508326 /nfs/dbraw/zinc/50/83/26/569508326.db2.gz MBMFDBNQEBVNFY-VWLOTQADSA-N 0 0 448.611 5.714 50 0 IKAARN Cc1cccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)c1 ZINC000009157962 569508452 /nfs/dbraw/zinc/50/84/52/569508452.db2.gz VDSDXJKMIRMUBJ-DEOSSOPVSA-N 0 0 440.506 6.539 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc(OC)c1OC 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/nfs/dbraw/zinc/50/86/44/569508644.db2.gz ULWKOTUAEAWQNZ-VWLOTQADSA-N 0 0 438.527 5.986 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000009159708 569508645 /nfs/dbraw/zinc/50/86/45/569508645.db2.gz ORTBOYKLHTYEIZ-NVQXNPDNSA-N 0 0 446.934 6.434 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 ZINC000009159814 569508680 /nfs/dbraw/zinc/50/86/80/569508680.db2.gz VNFHOPWPXIYAFS-HXUWFJFHSA-N 0 0 437.282 5.553 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(OC)c(OC)c3)c(O)c2)cc1 ZINC000009160796 569508702 /nfs/dbraw/zinc/50/87/02/569508702.db2.gz QZHOLHSZPAVYEI-UHFFFAOYSA-N 0 0 428.488 5.689 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)c1 ZINC000009161436 569508744 /nfs/dbraw/zinc/50/87/44/569508744.db2.gz XTQWSXCIWVOMRG-HXUWFJFHSA-N 0 0 437.282 5.553 50 0 IKAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@H](C)CC3 ZINC000009165165 569508809 /nfs/dbraw/zinc/50/88/09/569508809.db2.gz 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ZINC000009185217 569510055 /nfs/dbraw/zinc/51/00/55/569510055.db2.gz JDJOGSNTEUVHAD-UHFFFAOYSA-N 0 0 447.380 6.028 50 0 IKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1)O2 ZINC000009185277 569510061 /nfs/dbraw/zinc/51/00/61/569510061.db2.gz JYWZLYAXJZWTRI-WMZHIEFXSA-N 0 0 449.304 5.420 50 0 IKAARN Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3ccccc3)cc2O)n1 ZINC000009186402 569510187 /nfs/dbraw/zinc/51/01/87/569510187.db2.gz SGWOZEBCZHUONJ-UHFFFAOYSA-N 0 0 448.320 5.440 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 ZINC000009187180 569510334 /nfs/dbraw/zinc/51/03/34/569510334.db2.gz FZZUFALWMYBLHC-FQEVSTJZSA-N 0 0 444.899 5.806 50 0 IKAARN COC(=O)Nc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 ZINC000069626179 569510499 /nfs/dbraw/zinc/51/04/99/569510499.db2.gz VBPFGKBKIWFASH-UHFFFAOYSA-N 0 0 429.712 6.292 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(F)cc1Cl ZINC000009189830 569510545 /nfs/dbraw/zinc/51/05/45/569510545.db2.gz DVSVAZCTKUDWCE-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009191351 569510637 /nfs/dbraw/zinc/51/06/37/569510637.db2.gz QDBHHIFPYJLHRN-NJDAHSKKSA-N 0 0 439.298 5.045 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009192275 569510767 /nfs/dbraw/zinc/51/07/67/569510767.db2.gz KPKGPJJTOBOQHF-HSZRJFAPSA-N 0 0 442.540 5.585 50 0 IKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1OC ZINC000009192880 569510776 /nfs/dbraw/zinc/51/07/76/569510776.db2.gz PMMONKVHMNNGSI-UHFFFAOYSA-N 0 0 436.895 5.699 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 ZINC000009193053 569510855 /nfs/dbraw/zinc/51/08/55/569510855.db2.gz DWPVRQPAOWHJOV-HXUWFJFHSA-N 0 0 437.282 5.553 50 0 IKAARN Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc2c(c1)CCCC2 ZINC000009193280 569510898 /nfs/dbraw/zinc/51/08/98/569510898.db2.gz PGBBWDFCLMEVCO-UHFFFAOYSA-N 0 0 447.391 5.399 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)c1 ZINC000009193250 569510900 /nfs/dbraw/zinc/51/09/00/569510900.db2.gz VBFCRTZFLDCZPR-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN CSCC[C@@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000009195270 569510982 /nfs/dbraw/zinc/51/09/82/569510982.db2.gz MEEWRXMUNWUKLE-VZYOYLOZSA-N 0 0 442.669 5.003 50 0 IKAARN O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)Nc1c(F)cccc1F ZINC000009198275 569511085 /nfs/dbraw/zinc/51/10/85/569511085.db2.gz CDUUWAJVHKAIPX-UHFFFAOYSA-N 0 0 433.530 5.876 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1ccccc1)occ3C(C)(C)C ZINC000009199066 569511086 /nfs/dbraw/zinc/51/10/86/569511086.db2.gz RZKVUZGIJNECNG-UHFFFAOYSA-N 0 0 431.532 5.437 50 0 IKAARN COc1ccc(CNC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 ZINC000009198295 569511098 /nfs/dbraw/zinc/51/10/98/569511098.db2.gz DREUSARCWRVAEN-UHFFFAOYSA-N 0 0 441.603 5.284 50 0 IKAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)cc1 ZINC000009199052 569511116 /nfs/dbraw/zinc/51/11/16/569511116.db2.gz CIWUGUMHCCNXKR-UHFFFAOYSA-N 0 0 447.531 5.403 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009200812 569511170 /nfs/dbraw/zinc/51/11/70/569511170.db2.gz QWCLYQUCVBNVQG-IBGZPJMESA-N 0 0 447.507 5.352 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2)s1)N[C@@H](c1cccs1)c1ccccc1 ZINC000009205145 569511359 /nfs/dbraw/zinc/51/13/59/569511359.db2.gz BANMWEVLICVCJQ-LJQANCHMSA-N 0 0 438.603 5.341 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c1C ZINC000009207024 569511410 /nfs/dbraw/zinc/51/14/10/569511410.db2.gz UTICTTITKTZOCX-INIZCTEOSA-N 0 0 434.521 5.038 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000009208248 569511438 /nfs/dbraw/zinc/51/14/38/569511438.db2.gz OQFGRSODTKKQKB-JOCHJYFZSA-N 0 0 446.601 5.204 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(-c3nc4ccccc4s3)o2)N1C[C@@H]1CCCO1 ZINC000009208624 569511505 /nfs/dbraw/zinc/51/15/05/569511505.db2.gz WHWXMYFYJJKUDM-OYHNWAKOSA-N 0 0 431.517 5.302 50 0 IKAARN CN(Cc1ccccc1N1CCCC1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000009208718 569511512 /nfs/dbraw/zinc/51/15/12/569511512.db2.gz MZWLTQYRLFSBHR-UHFFFAOYSA-N 0 0 448.567 5.023 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(-c3nc4ccccc4s3)o2)N1C[C@@H]1CCCO1 ZINC000009208627 569511526 /nfs/dbraw/zinc/51/15/26/569511526.db2.gz WHWXMYFYJJKUDM-NYHFZMIOSA-N 0 0 431.517 5.302 50 0 IKAARN Clc1ccccc1-n1c(SCc2coc(-c3cccs3)n2)nnc1N1CCCC1 ZINC000009209345 569511573 /nfs/dbraw/zinc/51/15/73/569511573.db2.gz SDSKTUCSQMIZRO-UHFFFAOYSA-N 0 0 443.985 5.530 50 0 IKAARN Cc1nc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)nc2cc1Br ZINC000009210857 569511668 /nfs/dbraw/zinc/51/16/68/569511668.db2.gz NEUYGVOMMOVAIG-UHFFFAOYSA-N 0 0 446.157 5.066 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000009210595 569511679 /nfs/dbraw/zinc/51/16/79/569511679.db2.gz XDIYZRSPOZLWSK-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009211027 569511779 /nfs/dbraw/zinc/51/17/79/569511779.db2.gz BWGWSUIFERGGLX-OAQYLSRUSA-N 0 0 448.931 5.622 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)nc1COc1ccc(C)cc1 ZINC000009211871 569511865 /nfs/dbraw/zinc/51/18/65/569511865.db2.gz XVCAMHPNNMLNAG-UHFFFAOYSA-N 0 0 446.934 6.752 50 0 IKAARN COCCCNC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211818 569511879 /nfs/dbraw/zinc/51/18/79/569511879.db2.gz QHGRJCYAXMFIIR-UHFFFAOYSA-N 0 0 433.577 5.254 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)nc1COc1ccc(C)cc1 ZINC000009211866 569511897 /nfs/dbraw/zinc/51/18/97/569511897.db2.gz LSPAPFDQJGSZMJ-UHFFFAOYSA-N 0 0 446.934 6.752 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)nc1COc1ccc(C)cc1 ZINC000009211870 569511902 /nfs/dbraw/zinc/51/19/02/569511902.db2.gz WPPWMXDABUNNRW-UHFFFAOYSA-N 0 0 446.934 6.752 50 0 IKAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)NCc1ccc(C)cc1 ZINC000009211753 569511912 /nfs/dbraw/zinc/51/19/12/569511912.db2.gz AWCQFLLBEMOBBJ-UHFFFAOYSA-N 0 0 447.604 5.573 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)cc1 ZINC000009211910 569511916 /nfs/dbraw/zinc/51/19/16/569511916.db2.gz FCFWVNCDHDHHHU-UHFFFAOYSA-N 0 0 442.584 7.065 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211923 569511927 /nfs/dbraw/zinc/51/19/27/569511927.db2.gz PJASDXNIEKIVTA-UHFFFAOYSA-N 0 0 442.584 7.120 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC3CCC(C)CC3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211933 569511937 /nfs/dbraw/zinc/51/19/37/569511937.db2.gz FUJYBYYPOAHBLN-UHFFFAOYSA-N 0 0 434.605 6.559 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccs3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211944 569511943 /nfs/dbraw/zinc/51/19/43/569511943.db2.gz HNOPUBLEAMEQKE-UHFFFAOYSA-N 0 0 434.586 6.242 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)nc1CSc1ccccc1 ZINC000009211995 569511950 /nfs/dbraw/zinc/51/19/50/569511950.db2.gz SUTBONWTAXLYOS-UHFFFAOYSA-N 0 0 432.520 6.642 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)nc1CSc1ccccc1 ZINC000009211983 569511952 /nfs/dbraw/zinc/51/19/52/569511952.db2.gz LVCLPMCIINEVQF-UHFFFAOYSA-N 0 0 442.584 7.318 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)nc1CSc1ccccc1 ZINC000009211980 569511956 /nfs/dbraw/zinc/51/19/56/569511956.db2.gz LGDSPAPNMHOUTI-UHFFFAOYSA-N 0 0 428.557 6.811 50 0 IKAARN CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000009215835 569512059 /nfs/dbraw/zinc/51/20/59/569512059.db2.gz MXVCTNDTDCVATJ-HXUWFJFHSA-N 0 0 432.501 5.015 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1OC ZINC000009216444 569512135 /nfs/dbraw/zinc/51/21/35/569512135.db2.gz HTAPSKIIIZCKDT-HTAPYJJXSA-N 0 0 426.925 5.661 50 0 IKAARN O=C(c1ccccc1SCc1ccsc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009216915 569512232 /nfs/dbraw/zinc/51/22/32/569512232.db2.gz BDGLZBUQISMRKN-UHFFFAOYSA-N 0 0 449.601 5.161 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(Br)s1 ZINC000009336342 569523401 /nfs/dbraw/zinc/52/34/01/569523401.db2.gz ZKMDHAHHDJIIKF-UHFFFAOYSA-N 0 0 440.413 5.064 50 0 IKAARN CC(C)(C)[C@@H]1CCc2sc(-c3nnc(CSc4nnc5ccccn54)o3)cc2C1 ZINC000009222618 569512778 /nfs/dbraw/zinc/51/27/78/569512778.db2.gz BZQCCAMBYTWRJV-CQSZACIVSA-N 0 0 425.583 5.284 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)c1C ZINC000009223305 569512896 /nfs/dbraw/zinc/51/28/96/569512896.db2.gz GTCJOHDQEBHTEE-UHFFFAOYSA-N 0 0 440.381 5.331 50 0 IKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000009223375 569512920 /nfs/dbraw/zinc/51/29/20/569512920.db2.gz CVPCISFKSNUAIE-UHFFFAOYSA-N 0 0 427.529 5.552 50 0 IKAARN CCC(=O)c1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000009223423 569512966 /nfs/dbraw/zinc/51/29/66/569512966.db2.gz IPWQBAAOVDYDFT-QHCPKHFHSA-N 0 0 426.516 5.088 50 0 IKAARN O=C(Nc1ccc2ccccc2c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000009225823 569513191 /nfs/dbraw/zinc/51/31/91/569513191.db2.gz DTFWLIGJHJAGTO-RUZDIDTESA-N 0 0 428.513 5.459 50 0 IKAARN Cc1nn2c(nnc(C(=O)Nc3ccc(Cl)c(C)c3)c2C)c1-c1ccc(Cl)cc1 ZINC000009225433 569513200 /nfs/dbraw/zinc/51/32/00/569513200.db2.gz LGAYGZPHVQYKQR-UHFFFAOYSA-N 0 0 426.307 5.276 50 0 IKAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cc(Br)ccc1Cl ZINC000009227132 569513370 /nfs/dbraw/zinc/51/33/70/569513370.db2.gz RUWSGWACJPHBOU-UHFFFAOYSA-N 0 0 434.721 5.123 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)c3c(n[nH]c3-c3ccc(C)cc3)n2)cc1 ZINC000009228177 569513503 /nfs/dbraw/zinc/51/35/03/569513503.db2.gz DKZBHFJXFBEGJG-UHFFFAOYSA-N 0 0 448.526 5.539 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NCCc2ccccc2)c2c(n[nH]c2-c2ccccc2)n1 ZINC000009228158 569513507 /nfs/dbraw/zinc/51/35/07/569513507.db2.gz MNAHQMBYSLXVKU-UHFFFAOYSA-N 0 0 448.526 5.273 50 0 biogenic IKAARN COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000009228150 569513510 /nfs/dbraw/zinc/51/35/10/569513510.db2.gz UTBMQXIZMSJQPE-UHFFFAOYSA-N 0 0 448.526 5.539 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(C)cc3)c21 ZINC000009228179 569513515 /nfs/dbraw/zinc/51/35/15/569513515.db2.gz AGSWRMHOFINWGA-UHFFFAOYSA-N 0 0 428.536 5.529 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1 ZINC000009229065 569513640 /nfs/dbraw/zinc/51/36/40/569513640.db2.gz GZTMOTLUGKSVSX-UHFFFAOYSA-N 0 0 428.601 6.001 50 0 IKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCc3ccccc3Cl)cc12 ZINC000009229101 569513645 /nfs/dbraw/zinc/51/36/45/569513645.db2.gz VZMGSANNNHODEG-UHFFFAOYSA-N 0 0 434.942 6.071 50 0 IKAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc12 ZINC000009229112 569513716 /nfs/dbraw/zinc/51/37/16/569513716.db2.gz RGDLGKYMEPIZON-GOSISDBHSA-N 0 0 430.979 6.493 50 0 IKAARN CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000009232691 569513796 /nfs/dbraw/zinc/51/37/96/569513796.db2.gz GYSGCFDYIOLNSE-RUZDIDTESA-N 0 0 439.946 6.561 50 0 IKAARN O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccccc1F ZINC000009233446 569513826 /nfs/dbraw/zinc/51/38/26/569513826.db2.gz HETSBCCEVSJYTB-XQNSMLJCSA-N 0 0 449.503 5.520 50 0 IKAARN Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)cc1C ZINC000009233998 569513889 /nfs/dbraw/zinc/51/38/89/569513889.db2.gz ZAZJFXUZKAACKN-UHFFFAOYSA-N 0 0 443.572 5.259 50 0 IKAARN c1ccc(C2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 ZINC000009234758 569513969 /nfs/dbraw/zinc/51/39/69/569513969.db2.gz MXKLKHKDQYOCAB-CJWSQJNTSA-N 0 0 438.527 6.013 50 0 IKAARN c1ccc(C2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 ZINC000009234759 569513973 /nfs/dbraw/zinc/51/39/73/569513973.db2.gz MXKLKHKDQYOCAB-KBEAHSEHSA-N 0 0 438.527 6.013 50 0 IKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000009243716 569514920 /nfs/dbraw/zinc/51/49/20/569514920.db2.gz JBCUWDNNRZJBTC-RUZDIDTESA-N 0 0 443.478 5.291 50 0 IKAARN CCCCCN1C(=O)N(c2cccc(C)c2)[C@@H](N(O)C(=O)Nc2cccc(C)c2)C1(C)C ZINC000009244369 569515028 /nfs/dbraw/zinc/51/50/28/569515028.db2.gz SPPNSABZNNSWHM-QFIPXVFZSA-N 0 0 438.572 5.764 50 0 IKAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccccc1-c1ccccc1 ZINC000009245127 569515190 /nfs/dbraw/zinc/51/51/90/569515190.db2.gz WMRZZDDMLCMWSA-UHFFFAOYSA-N 0 0 433.511 5.921 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N1CCC[C@@H]1c1cccs1 ZINC000009245081 569515237 /nfs/dbraw/zinc/51/52/37/569515237.db2.gz NCAWKFUDVYIDFW-QGZVFWFLSA-N 0 0 437.615 5.876 50 0 IKAARN NC(=O)N[C@@H](CC(=O)Nc1ccc(F)cc1Cl)c1cccc(Oc2ccccc2)c1 ZINC000009245748 569515380 /nfs/dbraw/zinc/51/53/80/569515380.db2.gz GWKWBEBKSBWICP-FQEVSTJZSA-N 0 0 427.863 5.010 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)N[C@H](C)c2ccccc2)n1 ZINC000009250104 569515648 /nfs/dbraw/zinc/51/56/48/569515648.db2.gz ZRKQVANFHUWSIJ-LJQANCHMSA-N 0 0 433.577 5.229 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000009250101 569515661 /nfs/dbraw/zinc/51/56/61/569515661.db2.gz ULHHXDXYYXLWNN-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)cc2C)c1 ZINC000009250137 569515667 /nfs/dbraw/zinc/51/56/67/569515667.db2.gz LXRWFFBKCHSSHA-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN COc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009250178 569515674 /nfs/dbraw/zinc/51/56/74/569515674.db2.gz GHHDUCNIJVXNLD-UHFFFAOYSA-N 0 0 449.576 5.307 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2OC)cc1 ZINC000009250238 569515689 /nfs/dbraw/zinc/51/56/89/569515689.db2.gz WJWAGPCQOTWYSE-UHFFFAOYSA-N 0 0 449.576 5.253 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(F)cc1 ZINC000009250203 569515690 /nfs/dbraw/zinc/51/56/90/569515690.db2.gz JNQGEWIYSSTGKI-UHFFFAOYSA-N 0 0 438.524 5.464 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000009250244 569515702 /nfs/dbraw/zinc/51/57/02/569515702.db2.gz QRTKGONISNKJTL-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2)c(SCC(=O)NCc2ccccc2)n1 ZINC000009250223 569515720 /nfs/dbraw/zinc/51/57/20/569515720.db2.gz KBXGPNBFGVPRNT-UHFFFAOYSA-N 0 0 439.968 5.013 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000009250248 569515724 /nfs/dbraw/zinc/51/57/24/569515724.db2.gz JCRKLIFKLVEABT-IBGZPJMESA-N 0 0 447.604 5.483 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000009251098 569515738 /nfs/dbraw/zinc/51/57/38/569515738.db2.gz QNQLJDIGFRJCPH-INIZCTEOSA-N 0 0 437.565 5.477 50 0 IKAARN C[C@@H](NC(=O)Nc1cccc(Br)c1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251095 569515742 /nfs/dbraw/zinc/51/57/42/569515742.db2.gz VSQGURHDTCGUDE-CQSZACIVSA-N 0 0 444.398 6.063 50 0 IKAARN COc1ccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)nc2C)cc1 ZINC000009250801 569515776 /nfs/dbraw/zinc/51/57/76/569515776.db2.gz NMIRAWSTFTYSMB-UHFFFAOYSA-N 0 0 446.576 5.414 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)cc1 ZINC000009251330 569515802 /nfs/dbraw/zinc/51/58/02/569515802.db2.gz LAKZHLMCURFUAM-UHFFFAOYSA-N 0 0 431.488 5.864 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251340 569515812 /nfs/dbraw/zinc/51/58/12/569515812.db2.gz LGXCYQKAQNYKPI-UHFFFAOYSA-N 0 0 437.923 6.623 50 0 biogenic IKAARN Cc1c(C(=O)NCc2ccc(C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251415 569515853 /nfs/dbraw/zinc/51/58/53/569515853.db2.gz ZAXUSNAWUWEIKQ-UHFFFAOYSA-N 0 0 431.532 6.038 50 0 biogenic IKAARN Cc1c(C(=O)NCc2ccc(OC(C)C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251397 569515863 /nfs/dbraw/zinc/51/58/63/569515863.db2.gz PLNYMLDZYWUELV-UHFFFAOYSA-N 0 0 447.531 5.736 50 0 biogenic IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251406 569515879 /nfs/dbraw/zinc/51/58/79/569515879.db2.gz ZSOZDXDRDLSPHZ-UHFFFAOYSA-N 0 0 437.923 6.705 50 0 biogenic IKAARN CCOc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)cc1 ZINC000009251399 569515888 /nfs/dbraw/zinc/51/58/88/569515888.db2.gz BGEJARCMSUEPTG-UHFFFAOYSA-N 0 0 433.504 5.348 50 0 biogenic IKAARN COc1ccc(Cl)cc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 ZINC000009251389 569515893 /nfs/dbraw/zinc/51/58/93/569515893.db2.gz SJBDTECAVSGKLW-UHFFFAOYSA-N 0 0 439.895 5.934 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCCC2)O4)cc1 ZINC000009251413 569515896 /nfs/dbraw/zinc/51/58/96/569515896.db2.gz MBTXRPXAZFFLMJ-UHFFFAOYSA-N 0 0 447.531 5.738 50 0 biogenic IKAARN CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 ZINC000009251533 569515920 /nfs/dbraw/zinc/51/59/20/569515920.db2.gz BMXPAVGOCXYPPB-UHFFFAOYSA-N 0 0 447.560 5.538 50 0 IKAARN Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)cccc1-c1nc2cccnc2s1 ZINC000009252156 569515979 /nfs/dbraw/zinc/51/59/79/569515979.db2.gz GIEVSVKDHNJGIO-UHFFFAOYSA-N 0 0 449.535 6.543 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(-c2nc3cccnc3s2)c1 ZINC000009252150 569515990 /nfs/dbraw/zinc/51/59/90/569515990.db2.gz TTXJSAGWCQUVCO-UHFFFAOYSA-N 0 0 435.552 6.519 50 0 IKAARN COc1cccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)oc3ccccc3c2=O)c1 ZINC000009252771 569516066 /nfs/dbraw/zinc/51/60/66/569516066.db2.gz RLCCPDZVAWQJSX-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 IKAARN Brc1ccc(OCCSc2nnc(Cc3cccs3)n2C2CC2)cc1 ZINC000009255811 569516622 /nfs/dbraw/zinc/51/66/22/569516622.db2.gz DIPKOPGENJEOTP-UHFFFAOYSA-N 0 0 436.400 5.199 50 0 IKAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@H](c1cccs1)c1ccccc1 ZINC000009256061 569516695 /nfs/dbraw/zinc/51/66/95/569516695.db2.gz ILGXDOPEQXLNCF-XXBNENTESA-N 0 0 433.602 5.401 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)c1ccco1 ZINC000009256747 569516738 /nfs/dbraw/zinc/51/67/38/569516738.db2.gz BRKKWUVVNFBPIS-UHFFFAOYSA-N 0 0 431.517 5.161 50 0 IKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nnc(-c2cccs2)o1 ZINC000009256806 569516781 /nfs/dbraw/zinc/51/67/81/569516781.db2.gz HYUNKELBVUUNAF-QWRGUYRKSA-N 0 0 430.580 5.888 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3cccc4ccccc43)cs2)c(C)c1 ZINC000009257873 569516907 /nfs/dbraw/zinc/51/69/07/569516907.db2.gz AGGVBYZEZNSWOX-UHFFFAOYSA-N 0 0 429.589 5.959 50 0 IKAARN COc1ccc(-c2cnn3c2nc(-c2ccc(Cl)c(Cl)c2)cc3C(F)(F)F)cc1 ZINC000009261182 569516943 /nfs/dbraw/zinc/51/69/43/569516943.db2.gz CUGLVVNGXWYIDM-UHFFFAOYSA-N 0 0 438.236 6.398 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000009266790 569517441 /nfs/dbraw/zinc/51/74/41/569517441.db2.gz CIVNXIURIKRMQB-UHFFFAOYSA-N 0 0 426.520 5.484 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3C)c12 ZINC000009266751 569517469 /nfs/dbraw/zinc/51/74/69/569517469.db2.gz MAQQWNAKQNPSPC-UHFFFAOYSA-N 0 0 430.939 6.129 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)cc3Cl)c12 ZINC000009266766 569517474 /nfs/dbraw/zinc/51/74/74/569517474.db2.gz MSAVJTXHMNZFHA-UHFFFAOYSA-N 0 0 430.939 6.129 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C)c12 ZINC000009266893 569517485 /nfs/dbraw/zinc/51/74/85/569517485.db2.gz FDMHNDRCNYGWMC-UHFFFAOYSA-N 0 0 430.939 6.129 50 0 IKAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(Cc1cccnc1)C3=O ZINC000009266956 569517486 /nfs/dbraw/zinc/51/74/86/569517486.db2.gz PRKSRCZNGQNDEA-DEOSSOPVSA-N 0 0 438.527 5.674 50 0 IKAARN COc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000009266822 569517487 /nfs/dbraw/zinc/51/74/87/569517487.db2.gz QQUVRAZOUVNCEQ-UHFFFAOYSA-N 0 0 446.938 5.829 50 0 IKAARN CC(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268826 569517570 /nfs/dbraw/zinc/51/75/70/569517570.db2.gz XLWKAGYPEXKATQ-UHFFFAOYSA-N 0 0 448.488 5.252 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccc2ccccc2c1 ZINC000009271871 569517831 /nfs/dbraw/zinc/51/78/31/569517831.db2.gz MZWMTCMNWZBCGV-SDNWHVSQSA-N 0 0 443.333 7.016 50 0 IKAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c1C ZINC000009274144 569518142 /nfs/dbraw/zinc/51/81/42/569518142.db2.gz XVZLOXVFCMNIOQ-UHFFFAOYSA-N 0 0 445.003 5.100 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274786 569518189 /nfs/dbraw/zinc/51/81/89/569518189.db2.gz VFEGPKYHMDMBGS-SFHVURJKSA-N 0 0 446.522 5.429 50 0 IKAARN Cc1ccc(Cn2nc3c4cc(F)ccc4n(Cc4ccccc4F)cc-3c2=O)c(C)c1 ZINC000009274745 569518198 /nfs/dbraw/zinc/51/81/98/569518198.db2.gz ZHPZJMJWRZVYCG-UHFFFAOYSA-N 0 0 429.470 5.294 50 0 IKAARN COc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000009274827 569518236 /nfs/dbraw/zinc/51/82/36/569518236.db2.gz QGPKLTMFPGUAAY-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000009274835 569518282 /nfs/dbraw/zinc/51/82/82/569518282.db2.gz DIGHQCNVKDFTRM-UHFFFAOYSA-N 0 0 442.559 5.693 50 0 IKAARN CCOc1cc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)cc(OCC)c1OCC ZINC000009274834 569518318 /nfs/dbraw/zinc/51/83/18/569518318.db2.gz BDQVBRCBXIKSLQ-UHFFFAOYSA-N 0 0 447.491 5.338 50 0 IKAARN COc1ccccc1CC[NH2+]Cc1c2ccc(C)cc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000009274873 569518320 /nfs/dbraw/zinc/51/83/20/569518320.db2.gz QQAKLOPEKKEYSZ-UHFFFAOYSA-N 0 0 446.522 5.176 50 0 IKAARN Cc1ccc2c(C[NH2+]C3CCCCC3)c(C(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c1 ZINC000009275037 569518361 /nfs/dbraw/zinc/51/83/61/569518361.db2.gz NMLMIULIHHMPEN-UHFFFAOYSA-N 0 0 428.935 5.911 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3cccc(OC)c3)c2C(=O)[O-])cc1 ZINC000009275002 569518378 /nfs/dbraw/zinc/51/83/78/569518378.db2.gz WHGCTHUIMZROIV-UHFFFAOYSA-N 0 0 440.543 5.638 50 0 IKAARN Cc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])o1 ZINC000009276299 569518386 /nfs/dbraw/zinc/51/83/86/569518386.db2.gz NLXMSVYMTZHWMO-UHFFFAOYSA-N 0 0 440.902 5.680 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccccc1Cl ZINC000009277448 569518527 /nfs/dbraw/zinc/51/85/27/569518527.db2.gz QSOALVNWAYNIAD-UHFFFAOYSA-N 0 0 446.359 5.702 50 0 IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(NCc2ccccn2)n1)CCC4 ZINC000009281130 569518542 /nfs/dbraw/zinc/51/85/42/569518542.db2.gz LDGDSTBRUUNUBX-UHFFFAOYSA-N 0 0 435.622 5.656 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000009280904 569518579 /nfs/dbraw/zinc/51/85/79/569518579.db2.gz VVWSNHNUGBQQRK-HSZRJFAPSA-N 0 0 426.472 5.035 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000009280965 569518586 /nfs/dbraw/zinc/51/85/86/569518586.db2.gz JNBFYKPRYOJVCI-CVDCTZTESA-N 0 0 439.298 5.964 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1Cl)O2 ZINC000009281717 569518592 /nfs/dbraw/zinc/51/85/92/569518592.db2.gz DGMWSJJKDLUBRZ-CVDCTZTESA-N 0 0 439.298 5.964 50 0 IKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1OC ZINC000009281960 569518652 /nfs/dbraw/zinc/51/86/52/569518652.db2.gz KSAYBYAEGCENHQ-UHFFFAOYSA-N 0 0 436.895 5.699 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000009282671 569518662 /nfs/dbraw/zinc/51/86/62/569518662.db2.gz HKUVVHOJTYAKOL-RUZDIDTESA-N 0 0 438.527 5.986 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc(OC(F)(F)F)cc1 ZINC000009283343 569518830 /nfs/dbraw/zinc/51/88/30/569518830.db2.gz YUGVVNZDKCDZSO-UHFFFAOYSA-N 0 0 429.420 5.120 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl ZINC000009283489 569518911 /nfs/dbraw/zinc/51/89/11/569518911.db2.gz OXUDHPYPJCMYRZ-HXUWFJFHSA-N 0 0 426.973 5.438 50 0 IKAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccccc3c2=O)cc1 ZINC000009284042 569518953 /nfs/dbraw/zinc/51/89/53/569518953.db2.gz NBVMPBLXWHZIHB-UHFFFAOYSA-N 0 0 443.572 5.101 50 0 IKAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2c(Cl)cccc2Cl)c2ccccc2)c1 ZINC000009284620 569519093 /nfs/dbraw/zinc/51/90/93/569519093.db2.gz MVLLWWOPGCIVIS-FQEVSTJZSA-N 0 0 430.287 5.539 50 0 IKAARN COc1ccc(OC)c(NC(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)c1 ZINC000009285559 569519151 /nfs/dbraw/zinc/51/91/51/569519151.db2.gz LYWBROBBTZTRSM-UHFFFAOYSA-N 0 0 444.582 5.153 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nnc(-c2cccs2)o1 ZINC000009285889 569519259 /nfs/dbraw/zinc/51/92/59/569519259.db2.gz RXIPTFIZZKVCPW-CQSZACIVSA-N 0 0 449.536 6.038 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCCCc1ccccc1)c2Sc1ccc(Cl)cc1 ZINC000009288223 569519351 /nfs/dbraw/zinc/51/93/51/569519351.db2.gz OAWBFNSRXXFZEH-UHFFFAOYSA-N 0 0 434.992 6.644 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N(C)Cc1ccccc1)c2Sc1ccc(Cl)cc1 ZINC000009288512 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569522773 /nfs/dbraw/zinc/52/27/73/569522773.db2.gz OATRNENCWOGMLT-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)sc3ccccc3c2=O)cc1OC ZINC000009327998 569522807 /nfs/dbraw/zinc/52/28/07/569522807.db2.gz RLWJBJIKJJLAJF-UHFFFAOYSA-N 0 0 431.513 5.506 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009328053 569522820 /nfs/dbraw/zinc/52/28/20/569522820.db2.gz WSOHAMCXJQQQEH-UHFFFAOYSA-N 0 0 426.324 6.488 50 0 IKAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1 ZINC000009329384 569522852 /nfs/dbraw/zinc/52/28/52/569522852.db2.gz YQOGHPZQDNOPIP-JOCHJYFZSA-N 0 0 436.471 5.100 50 0 IKAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc2c1 ZINC000009336857 569523477 /nfs/dbraw/zinc/52/34/77/569523477.db2.gz PTKVKFNPFXXEMK-GOSISDBHSA-N 0 0 440.547 5.576 50 0 IKAARN Cc1oc2cc(O[C@H](C)C(=O)NCc3cccs3)ccc2c(=O)c1Oc1ccccc1 ZINC000009336918 569523501 /nfs/dbraw/zinc/52/35/01/569523501.db2.gz ZYFYHRVYTWWCDD-MRXNPFEDSA-N 0 0 435.501 5.039 50 0 IKAARN Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000009339416 569523770 /nfs/dbraw/zinc/52/37/70/569523770.db2.gz OQJLTYVIAJRBSV-RUZDIDTESA-N 0 0 425.488 5.642 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCCc4ccccc4)n(-c4ccccc4)c(=O)c32)CO1 ZINC000009339718 569523798 /nfs/dbraw/zinc/52/37/98/569523798.db2.gz MLACPSFQKCJFBS-UHFFFAOYSA-N 0 0 448.613 5.633 50 0 IKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000009340426 569523820 /nfs/dbraw/zinc/52/38/20/569523820.db2.gz ZOUHIIZQEMHXCN-UHFFFAOYSA-N 0 0 437.874 6.002 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)nc2c1SCCC2)Nc1cccc(Cl)c1 ZINC000009340397 569523835 /nfs/dbraw/zinc/52/38/35/569523835.db2.gz KEFCNJZZHOVNDL-UHFFFAOYSA-N 0 0 427.982 5.566 50 0 IKAARN COc1ccc(-c2c(N)oc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 ZINC000009340476 569523848 /nfs/dbraw/zinc/52/38/48/569523848.db2.gz PNDJPIYRPHRVDT-UHFFFAOYSA-N 0 0 442.298 5.937 50 0 IKAARN CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1nnsc1Cl ZINC000069925695 569523943 /nfs/dbraw/zinc/52/39/43/569523943.db2.gz IMRWLRKLEXIPJB-UHFFFAOYSA-N 0 0 444.413 5.669 50 0 IKAARN O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009343881 569523950 /nfs/dbraw/zinc/52/39/50/569523950.db2.gz YGIQUZUUYAQHRA-UHFFFAOYSA-N 0 0 432.479 6.604 50 0 IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000009343899 569523991 /nfs/dbraw/zinc/52/39/91/569523991.db2.gz HISODHXFIPEECA-UHFFFAOYSA-N 0 0 446.506 6.533 50 0 IKAARN COc1cc(Br)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000009345166 569524078 /nfs/dbraw/zinc/52/40/78/569524078.db2.gz XPRZKCCNDBMIRK-SFHVURJKSA-N 0 0 447.760 5.925 50 0 IKAARN COc1ccc(CSc2nc(-n3nc(C)cc3C)nc3sc4c(c32)CCCC4)cc1 ZINC000009345149 569524090 /nfs/dbraw/zinc/52/40/90/569524090.db2.gz ZVHNSWRLYFZZLB-UHFFFAOYSA-N 0 0 436.606 5.674 50 0 IKAARN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)Nc1cccc2ccccc21 ZINC000009345506 569524113 /nfs/dbraw/zinc/52/41/13/569524113.db2.gz CFDHLIZVZPJNNO-RUZDIDTESA-N 0 0 438.552 6.049 50 0 IKAARN CC(C)CCSc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 ZINC000009345792 569524118 /nfs/dbraw/zinc/52/41/18/569524118.db2.gz IJYJDKYKRSPTHZ-UHFFFAOYSA-N 0 0 436.672 5.829 50 0 IKAARN CCCCCCSc1nc(-n2nc(C)cc2C)nc2sc3c(c21)CC(C)(C)OC3 ZINC000009345939 569524146 /nfs/dbraw/zinc/52/41/46/569524146.db2.gz CVFAIVMIARTXLK-UHFFFAOYSA-N 0 0 430.643 6.018 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3nc(N)ncc3Oc3ccccc3OC)c(O)c2)cc1 ZINC000009346403 569524225 /nfs/dbraw/zinc/52/42/25/569524225.db2.gz UBWRHDZSQPISPE-UHFFFAOYSA-N 0 0 441.487 5.454 50 0 IKAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)cc1C ZINC000009347253 569524246 /nfs/dbraw/zinc/52/42/46/569524246.db2.gz CXTRJZDIFXDYTF-UHFFFAOYSA-N 0 0 441.556 6.281 50 0 IKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1C ZINC000009348739 569524554 /nfs/dbraw/zinc/52/45/54/569524554.db2.gz HNNKAJASFAKZIJ-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1nnc(SCc2csc(CC(=O)Nc3ccccc3C)n2)n1-c1ccc(C)cc1 ZINC000009349386 569524723 /nfs/dbraw/zinc/52/47/23/569524723.db2.gz BMBFIXOHNNQVTB-UHFFFAOYSA-N 0 0 449.605 5.123 50 0 IKAARN CCCCn1nc(NC(=O)c2ccccc2Br)c2cc3cccc(C)c3nc21 ZINC000009350650 569524785 /nfs/dbraw/zinc/52/47/85/569524785.db2.gz IFKGUZKSJWSJPS-UHFFFAOYSA-N 0 0 437.341 5.708 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)c3ccc(F)c(F)c3)cccc12)c1ccc(F)c(F)c1 ZINC000009354550 569525074 /nfs/dbraw/zinc/52/50/74/569525074.db2.gz KTVONHXVQOAAGK-UHFFFAOYSA-N 0 0 438.380 5.901 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Br)s1 ZINC000009354741 569525109 /nfs/dbraw/zinc/52/51/09/569525109.db2.gz OVRRIPFRTGLOMU-UHFFFAOYSA-N 0 0 431.336 5.745 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccc(Oc2ccccc2)c1 ZINC000009354554 569525128 /nfs/dbraw/zinc/52/51/28/569525128.db2.gz KUJMFGOGNBVTJA-UHFFFAOYSA-N 0 0 448.547 7.522 50 0 IKAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=S)NCc2ccccc2)c1 ZINC000009354891 569525186 /nfs/dbraw/zinc/52/51/86/569525186.db2.gz NJZYEWJKUAJHJB-DEOSSOPVSA-N 0 0 445.588 5.238 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000009355088 569525210 /nfs/dbraw/zinc/52/52/10/569525210.db2.gz MENWPPNNTWUUNW-UHFFFAOYSA-N 0 0 448.693 5.868 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009355414 569525222 /nfs/dbraw/zinc/52/52/22/569525222.db2.gz VCYKYQXSFNQKGG-OLILMLBXSA-N 0 0 428.535 7.141 50 0 IKAARN COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2c(C)n(C)c3ccccc32)cc1OC ZINC000009355469 569525231 /nfs/dbraw/zinc/52/52/31/569525231.db2.gz QPKSJAVQYFSDQJ-HHHXNRCGSA-N 0 0 440.543 5.292 50 0 IKAARN CCCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000009355602 569525314 /nfs/dbraw/zinc/52/53/14/569525314.db2.gz GBSKHQJWIVEOGS-BCHFMIIMSA-N 0 0 431.580 5.578 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000009355581 569525316 /nfs/dbraw/zinc/52/53/16/569525316.db2.gz LPDDPIWNFLHFSN-GDLZYMKVSA-N 0 0 444.534 6.589 50 0 IKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)cc1 ZINC000009360104 569525763 /nfs/dbraw/zinc/52/57/63/569525763.db2.gz OBRJHNIVACJSEE-UHFFFAOYSA-N 0 0 434.586 6.116 50 0 IKAARN O=C(c1ccc(Br)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009362741 569525887 /nfs/dbraw/zinc/52/58/87/569525887.db2.gz WTOABDHCXUOKSA-SFHVURJKSA-N 0 0 429.701 5.687 50 0 IKAARN O=C(c1ccc(Br)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009362742 569525903 /nfs/dbraw/zinc/52/59/03/569525903.db2.gz WTOABDHCXUOKSA-GOSISDBHSA-N 0 0 429.701 5.687 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000009363808 569525974 /nfs/dbraw/zinc/52/59/74/569525974.db2.gz ULCYOQQFCCTUEA-UHFFFAOYSA-N 0 0 435.936 5.687 50 0 IKAARN O=C(CSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1)Nc1ccccc1 ZINC000009364086 569525990 /nfs/dbraw/zinc/52/59/90/569525990.db2.gz HAVFZQFGGUSKMT-UHFFFAOYSA-N 0 0 446.557 5.188 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccc(Cl)cc1 ZINC000009366604 569526252 /nfs/dbraw/zinc/52/62/52/569526252.db2.gz IXIPRHZUXUTBOG-UHFFFAOYSA-N 0 0 429.876 5.755 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccc4ccccc4c3)s2)c1 ZINC000009368271 569526600 /nfs/dbraw/zinc/52/66/00/569526600.db2.gz OCGIFLADPUVXRK-UHFFFAOYSA-N 0 0 448.573 5.291 50 0 IKAARN O=C(CCCCc1nc2ccccc2s1)N1CCC(Nc2ccccc2Cl)CC1 ZINC000069977845 569526662 /nfs/dbraw/zinc/52/66/62/569526662.db2.gz NHMQVPWHKNLOJM-UHFFFAOYSA-N 0 0 428.001 5.766 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1C ZINC000009369283 569526721 /nfs/dbraw/zinc/52/67/21/569526721.db2.gz BKOXROIMZMOKBE-UHFFFAOYSA-N 0 0 433.602 6.355 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(Nc3nc4ccc(C)cc4c(-c4ccccc4)n3)cc2)c1 ZINC000009369250 569526749 /nfs/dbraw/zinc/52/67/49/569526749.db2.gz DWBASPHZJRXAAY-UHFFFAOYSA-N 0 0 444.538 6.910 50 0 IKAARN CCc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)cc1 ZINC000009369940 569526853 /nfs/dbraw/zinc/52/68/53/569526853.db2.gz UDZCUYZACRGVCT-UHFFFAOYSA-N 0 0 439.540 6.620 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)c1C ZINC000009370896 569526948 /nfs/dbraw/zinc/52/69/48/569526948.db2.gz MAMPNNHMIHQBAG-UHFFFAOYSA-N 0 0 439.540 6.675 50 0 IKAARN COc1ccccc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000009372999 569526954 /nfs/dbraw/zinc/52/69/54/569526954.db2.gz ZPFZAIREUYLKKL-UHFFFAOYSA-N 0 0 426.350 5.398 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ncc(Cl)cc1Cl ZINC000009372974 569526963 /nfs/dbraw/zinc/52/69/63/569526963.db2.gz PMBVNQOTTRPGLF-UHFFFAOYSA-N 0 0 425.366 5.003 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=S)NC1CCCCC1 ZINC000009373083 569526968 /nfs/dbraw/zinc/52/69/68/569526968.db2.gz HFSYHNGVUQGYDK-UHFFFAOYSA-N 0 0 438.018 5.068 50 0 IKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1C ZINC000009374467 569527122 /nfs/dbraw/zinc/52/71/22/569527122.db2.gz FCDSVZUJVRCPOI-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN CSCC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000009375331 569527165 /nfs/dbraw/zinc/52/71/65/569527165.db2.gz SHBWGUUOTUGGMU-JOCHJYFZSA-N 0 0 433.552 5.448 50 0 IKAARN c1ccc(CSc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)cc1 ZINC000009375528 569527217 /nfs/dbraw/zinc/52/72/17/569527217.db2.gz LLFDHERDCONDRR-UHFFFAOYSA-N 0 0 425.582 6.688 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(c3nc4ccccc4o3)CC2)o1 ZINC000009377399 569527439 /nfs/dbraw/zinc/52/74/39/569527439.db2.gz YMNDRHQXJVUYSB-UHFFFAOYSA-N 0 0 441.491 5.221 50 0 IKAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)[nH]c1Cc1ccccc1 ZINC000009378325 569527590 /nfs/dbraw/zinc/52/75/90/569527590.db2.gz NLBTZGIWCQLTQO-IBGZPJMESA-N 0 0 427.573 6.095 50 0 IKAARN CCC(=O)Nc1ccc(-c2csc(NC(=O)Cc3c(C)nc4ccccc4c3C)n2)cc1 ZINC000009378875 569527723 /nfs/dbraw/zinc/52/77/23/569527723.db2.gz OVLBSYPQTXPAIF-UHFFFAOYSA-N 0 0 444.560 5.505 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000009382297 569528211 /nfs/dbraw/zinc/52/82/11/569528211.db2.gz ULLXAQWYSXPNEE-UHFFFAOYSA-N 0 0 445.470 5.196 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1c[nH]c2ccccc21 ZINC000009382290 569528240 /nfs/dbraw/zinc/52/82/40/569528240.db2.gz KRNLJDOKJPOFSU-UHFFFAOYSA-N 0 0 425.945 5.139 50 0 IKAARN CC(C)CCSc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(Cl)c1 ZINC000009382905 569528330 /nfs/dbraw/zinc/52/83/30/569528330.db2.gz HEAVALMJLPNQQN-UHFFFAOYSA-N 0 0 445.013 5.484 50 0 IKAARN Cc1cccc(CSc2nnc(Cn3c4ccccc4sc3=O)n2-c2ccccc2)c1 ZINC000009382827 569528355 /nfs/dbraw/zinc/52/83/55/569528355.db2.gz XYQFSQNLROQLNY-UHFFFAOYSA-N 0 0 444.585 5.293 50 0 IKAARN O=C(Nc1ccc(C(=O)N(CCc2cccs2)Cc2cccs2)cc1)c1ccco1 ZINC000009384717 569528389 /nfs/dbraw/zinc/52/83/89/569528389.db2.gz MOXCFRDLNRQHCG-UHFFFAOYSA-N 0 0 436.558 5.540 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3nc4ccccc4s3)cs2)c(C)c1 ZINC000009385998 569528452 /nfs/dbraw/zinc/52/84/52/569528452.db2.gz NDGZWWCDTAWXTR-UHFFFAOYSA-N 0 0 436.606 5.416 50 0 IKAARN COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=S)Nc2cccc(Cl)c2C)c1 ZINC000009391162 569528872 /nfs/dbraw/zinc/52/88/72/569528872.db2.gz LEPRAIBXVWCQRH-QFIPXVFZSA-N 0 0 441.984 5.269 50 0 IKAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009391132 569528879 /nfs/dbraw/zinc/52/88/79/569528879.db2.gz XLQOXHGAGMKDRA-OAQYLSRUSA-N 0 0 446.403 5.996 50 0 IKAARN COc1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000009391141 569528881 /nfs/dbraw/zinc/52/88/81/569528881.db2.gz QOTXCCXFAVRQFA-FQEVSTJZSA-N 0 0 432.376 5.606 50 0 IKAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(Cl)c2C)c1 ZINC000009391163 569528887 /nfs/dbraw/zinc/52/88/87/569528887.db2.gz LEPRAIBXVWCQRH-JOCHJYFZSA-N 0 0 441.984 5.269 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)C2(c4ccc(Cl)cc4)CCCC2)CSC3)cc1 ZINC000009391575 569528919 /nfs/dbraw/zinc/52/89/19/569528919.db2.gz JVTPUNVXECWYHU-UHFFFAOYSA-N 0 0 437.996 6.031 50 0 IKAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(Br)cc1 ZINC000009391580 569528927 /nfs/dbraw/zinc/52/89/27/569528927.db2.gz JIMMKZQFEKTDMW-UHFFFAOYSA-N 0 0 434.746 5.287 50 0 IKAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cccc(Br)c1 ZINC000009391579 569528936 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ZINC000009464326 569537676 /nfs/dbraw/zinc/53/76/76/569537676.db2.gz ABLQXYWQPGYHON-INIZCTEOSA-N 0 0 449.507 5.574 50 0 IKAARN CCOc1cc(CNCc2nnc3ccccn32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000009464559 569537747 /nfs/dbraw/zinc/53/77/47/569537747.db2.gz GHFYHMWLPPXJCT-UHFFFAOYSA-N 0 0 444.579 5.294 50 0 IKAARN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1 ZINC000009464849 569537796 /nfs/dbraw/zinc/53/77/96/569537796.db2.gz KVECKWBCVIQNHJ-UHFFFAOYSA-N 0 0 440.544 5.064 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009465111 569537856 /nfs/dbraw/zinc/53/78/56/569537856.db2.gz PEWZJQRWZHEXDI-MRXNPFEDSA-N 0 0 449.507 5.574 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCc1nc2ccccc2[nH]1 ZINC000009465412 569537896 /nfs/dbraw/zinc/53/78/96/569537896.db2.gz SZYKTASTGBSFMY-UHFFFAOYSA-N 0 0 427.483 5.278 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)c4cccc(Cl)c4)c(=O)c23)s1 ZINC000009466107 569538166 /nfs/dbraw/zinc/53/81/66/569538166.db2.gz MUXKMALRWRXFOE-CYBMUJFWSA-N 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C=Cc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009532240 569545271 /nfs/dbraw/zinc/54/52/71/569545271.db2.gz VEVHBZMPIIBAFK-UHFFFAOYSA-N 0 0 444.506 5.468 50 0 IKAARN C=Cc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]C3CCCCCCC3)c2C(=O)[O-])cc1 ZINC000009532225 569545275 /nfs/dbraw/zinc/54/52/75/569545275.db2.gz RUCJOUKAYUNLDJ-UHFFFAOYSA-N 0 0 446.591 6.242 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccc(Cl)cc3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532352 569545277 /nfs/dbraw/zinc/54/52/77/569545277.db2.gz YSUUNUQGKNIHER-UHFFFAOYSA-N 0 0 448.950 5.648 50 0 IKAARN COc1ccccc1-c1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)o1 ZINC000009532294 569545279 /nfs/dbraw/zinc/54/52/79/569545279.db2.gz FKHLMEKXZOUZCC-QHCPKHFHSA-N 0 0 430.529 6.078 50 0 IKAARN COc1ccc2c(C[NH2+]C3CCCCCCC3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532476 569545285 /nfs/dbraw/zinc/54/52/85/569545285.db2.gz ZHVSVZBKTNRUQO-UHFFFAOYSA-N 0 0 438.543 5.738 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532391 569545306 /nfs/dbraw/zinc/54/53/06/569545306.db2.gz PJRVSBRVOKXEGE-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN C=Cc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]C3CCC(C)CC3)c2C(=O)[O-])cc1 ZINC000009532243 569545315 /nfs/dbraw/zinc/54/53/15/569545315.db2.gz KJYRZLYGFMXTAF-UHFFFAOYSA-N 0 0 432.564 5.708 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000009532403 569545321 /nfs/dbraw/zinc/54/53/21/569545321.db2.gz CZRYRMISVAOEBW-AXHZCLLHSA-N 0 0 434.580 5.619 50 0 IKAARN COc1ccc2c(C[NH2+]CCc3cccs3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532441 569545322 /nfs/dbraw/zinc/54/53/22/569545322.db2.gz RNPZZVOSVLVOIR-UHFFFAOYSA-N 0 0 434.561 5.099 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009532962 569545396 /nfs/dbraw/zinc/54/53/96/569545396.db2.gz BQZYVOYCGHZRCP-UHFFFAOYSA-N 0 0 432.951 5.948 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000009532958 569545405 /nfs/dbraw/zinc/54/54/05/569545405.db2.gz AMGLGDGHYNBFQF-UHFFFAOYSA-N 0 0 432.951 5.948 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000009533552 569545449 /nfs/dbraw/zinc/54/54/49/569545449.db2.gz SPANAFGTMMWBGB-NRFANRHFSA-N 0 0 434.565 5.280 50 0 IKAARN COc1ccccc1CCNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC000009534426 569545461 /nfs/dbraw/zinc/54/54/61/569545461.db2.gz PMYCLAHQXQYZEX-UHFFFAOYSA-N 0 0 438.574 5.471 50 0 IKAARN O=C(COC(=O)c1cc2ccccc2o1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009534479 569545500 /nfs/dbraw/zinc/54/55/00/569545500.db2.gz RPDFDCGVSIFDKI-INIZCTEOSA-N 0 0 436.514 5.091 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000009543615 569545891 /nfs/dbraw/zinc/54/58/91/569545891.db2.gz GNIVTSFBCKLPEF-UHFFFAOYSA-N 0 0 449.526 5.055 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1OC ZINC000009543747 569546004 /nfs/dbraw/zinc/54/60/04/569546004.db2.gz IAQACKJFOKOWNI-OAQYLSRUSA-N 0 0 437.337 5.822 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000009545786 569546127 /nfs/dbraw/zinc/54/61/27/569546127.db2.gz RIGVNYHOVDVUDJ-BEFAXECRSA-N 0 0 444.988 5.027 50 0 IKAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2)cc1 ZINC000009546385 569546242 /nfs/dbraw/zinc/54/62/42/569546242.db2.gz XNLLWIPTUPJKKI-SANMLTNESA-N 0 0 434.580 5.110 50 0 IKAARN O=C(NC1CCCCC1)[C@]1(c2ccc(Cl)cc2)CCCC(=O)N1CCc1ccccc1 ZINC000009546106 569546271 /nfs/dbraw/zinc/54/62/71/569546271.db2.gz HDKDZSARBGSQPD-AREMUKBSSA-N 0 0 438.999 5.239 50 0 IKAARN O=C(NC1CCCCC1)[C@@]1(c2ccc(Cl)cc2)CCCC(=O)N1CCc1ccccc1 ZINC000009546108 569546277 /nfs/dbraw/zinc/54/62/77/569546277.db2.gz HDKDZSARBGSQPD-SANMLTNESA-N 0 0 438.999 5.239 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2ccccc2SCc2ccccc2)cc1)c1ccco1 ZINC000009548399 569546414 /nfs/dbraw/zinc/54/64/14/569546414.db2.gz UNOZIIPDXBWKFW-UHFFFAOYSA-N 0 0 428.513 6.077 50 0 IKAARN COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 ZINC000009548835 569546511 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ZINC000009595621 569550754 /nfs/dbraw/zinc/55/07/54/569550754.db2.gz OQQXSKJMHYGEEM-KGLIPLIRSA-N 0 0 438.578 6.135 50 0 IKAARN COc1ccc2[nH]c(S[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3)nc2c1 ZINC000009596078 569550770 /nfs/dbraw/zinc/55/07/70/569550770.db2.gz USKQXCOYIYKLPY-QFIPXVFZSA-N 0 0 433.533 5.361 50 0 IKAARN CCCCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C(C(=O)OCC)C(C)=N2 ZINC000009597313 569550848 /nfs/dbraw/zinc/55/08/48/569550848.db2.gz PPESGCAFQMAOOG-HXUWFJFHSA-N 0 0 444.601 5.201 50 0 IKAARN CCCCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)C(C)=N2 ZINC000009597309 569550889 /nfs/dbraw/zinc/55/08/89/569550889.db2.gz WHSDKITWKZFBGG-GOSISDBHSA-N 0 0 434.993 5.456 50 0 IKAARN CCCCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)C(C)=N2 ZINC000009597310 569550893 /nfs/dbraw/zinc/55/08/93/569550893.db2.gz WHSDKITWKZFBGG-SFHVURJKSA-N 0 0 434.993 5.456 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)[C@@H]1C ZINC000009598051 569550986 /nfs/dbraw/zinc/55/09/86/569550986.db2.gz 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Fc1ccc([C@@H](Nc2ccc(F)c(Cl)c2)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009606362 569551979 /nfs/dbraw/zinc/55/19/79/569551979.db2.gz RYRDBBGFGKBNMK-LJQANCHMSA-N 0 0 432.257 6.523 50 0 IKAARN CCC1=Nc2cc(C(=O)NCc3ccco3)ccc2Sc2ccc(Br)cc21 ZINC000009608246 569552072 /nfs/dbraw/zinc/55/20/72/569552072.db2.gz FQXZZMBIQWMKIS-UHFFFAOYSA-N 0 0 441.350 5.968 50 0 IKAARN CCC1=Nc2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Sc2ccc(C)cc21 ZINC000009608302 569552086 /nfs/dbraw/zinc/55/20/86/569552086.db2.gz WTBDMCFSMFRDLB-HSZRJFAPSA-N 0 0 426.585 6.798 50 0 IKAARN CC1=Nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccc(Cl)cc21 ZINC000009608035 569552103 /nfs/dbraw/zinc/55/21/03/569552103.db2.gz WJWWYMJTNZSCPY-UHFFFAOYSA-N 0 0 441.383 6.571 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000009608160 569552105 /nfs/dbraw/zinc/55/21/05/569552105.db2.gz CUVCERSFHSYXGD-UHFFFAOYSA-N 0 0 432.574 5.886 50 0 IKAARN CCCC1=Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Sc2ccc(C)cc21 ZINC000009608189 569552107 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Cc1cc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)ccc1Br ZINC000009612116 569552790 /nfs/dbraw/zinc/55/27/90/569552790.db2.gz ATCZAFZLNHITLV-HXUWFJFHSA-N 0 0 427.729 6.182 50 0 IKAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)NCc1ccc(Cl)cc1 ZINC000009612219 569552870 /nfs/dbraw/zinc/55/28/70/569552870.db2.gz HDIBSLVDKQWJEG-UHFFFAOYSA-N 0 0 431.388 5.829 50 0 IKAARN COc1ccc(CNC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)cc1 ZINC000009612217 569552877 /nfs/dbraw/zinc/55/28/77/569552877.db2.gz UZCZUPJYCFDUAA-UHFFFAOYSA-N 0 0 426.969 5.184 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)N[C@@H]1CCCc2ccccc21 ZINC000009612633 569552938 /nfs/dbraw/zinc/55/29/38/569552938.db2.gz JQXQTUNVQIKZGI-HSZRJFAPSA-N 0 0 443.547 5.722 50 0 IKAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000009613600 569553047 /nfs/dbraw/zinc/55/30/47/569553047.db2.gz DKBFBCZURUSEAR-FQEVSTJZSA-N 0 0 431.542 5.405 50 0 IKAARN CCC1=Nc2ccccc2N=C(NC(=O)Nc2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009614639 569553119 /nfs/dbraw/zinc/55/31/19/569553119.db2.gz CHFKHBOVQCBCLZ-DEOSSOPVSA-N 0 0 442.519 5.835 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2Cl)C1=O ZINC000009614455 569553163 /nfs/dbraw/zinc/55/31/63/569553163.db2.gz DAQAXHHBZPXCQB-DEOSSOPVSA-N 0 0 437.326 5.566 50 0 IKAARN C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009616429 569553280 /nfs/dbraw/zinc/55/32/80/569553280.db2.gz FAXSVWLDGVECGZ-OAHLLOKOSA-N 0 0 431.517 5.055 50 0 IKAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2Br)s1 ZINC000009616741 569553282 /nfs/dbraw/zinc/55/32/82/569553282.db2.gz XSTZFTUBWPAMLC-UHFFFAOYSA-N 0 0 435.372 5.083 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(NC[C@@H]4CCCO4)s3)c12 ZINC000009619889 569553407 /nfs/dbraw/zinc/55/34/07/569553407.db2.gz FUTCSBZPKJEUEV-AWEZNQCLSA-N 0 0 441.607 5.260 50 0 IKAARN Clc1cccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000009622581 569553510 /nfs/dbraw/zinc/55/35/10/569553510.db2.gz HIJRXEXOGCDNFK-UHFFFAOYSA-N 0 0 444.970 6.515 50 0 IKAARN Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)sc2c1 ZINC000009627907 569553558 /nfs/dbraw/zinc/55/35/58/569553558.db2.gz HCUAWRUFBYLNTO-UHFFFAOYSA-N 0 0 442.953 5.148 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ncc(Cl)cc3Cl)c2n1 ZINC000009630460 569553667 /nfs/dbraw/zinc/55/36/67/569553667.db2.gz INVVHIXLJUJQIM-UHFFFAOYSA-N 0 0 431.106 5.569 50 0 IKAARN Cc1ccccc1NC(=O)CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000009632438 569554023 /nfs/dbraw/zinc/55/40/23/569554023.db2.gz MLNCGSQMQGGERT-JCMHNJIXSA-N 0 0 445.519 5.250 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)NC(c1ccccc1)c1ccccc1 ZINC000009632608 569554024 /nfs/dbraw/zinc/55/40/24/569554024.db2.gz KLYXQEHKVGPGPD-UHFFFAOYSA-N 0 0 446.601 5.148 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009632441 569554042 /nfs/dbraw/zinc/55/40/42/569554042.db2.gz NSVVFNBJXXTYCF-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN CC[C@H](CO)n1c(=O)c2ccccc2nc1SCc1csc(-c2ccc(C)cc2)n1 ZINC000009632804 569554090 /nfs/dbraw/zinc/55/40/90/569554090.db2.gz PWTSGDAAMRUHSU-GOSISDBHSA-N 0 0 437.590 5.064 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1Cl ZINC000009632876 569554152 /nfs/dbraw/zinc/55/41/52/569554152.db2.gz IMRBVALWHARVQY-UHFFFAOYSA-N 0 0 442.298 5.721 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000009633095 569554178 /nfs/dbraw/zinc/55/41/78/569554178.db2.gz KISLSAVBBYYPLC-UHFFFAOYSA-N 0 0 444.604 5.266 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(SCC(=O)c3cc(C)c(C)cc3C)s2)o1 ZINC000009632995 569554186 /nfs/dbraw/zinc/55/41/86/569554186.db2.gz VFIURHVDASZGST-UHFFFAOYSA-N 0 0 448.591 5.110 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1F ZINC000009633405 569554223 /nfs/dbraw/zinc/55/42/23/569554223.db2.gz RXLVVHCWSFWXDE-UHFFFAOYSA-N 0 0 433.917 5.783 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000009633278 569554239 /nfs/dbraw/zinc/55/42/39/569554239.db2.gz PVSYANHJXZWPEN-LBPRGKRZSA-N 0 0 433.364 5.571 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000009633280 569554253 /nfs/dbraw/zinc/55/42/53/569554253.db2.gz PVSYANHJXZWPEN-GFCCVEGCSA-N 0 0 433.364 5.571 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009633915 569554369 /nfs/dbraw/zinc/55/43/69/569554369.db2.gz HJEPFRJOPGSOAM-UHFFFAOYSA-N 0 0 436.558 5.545 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)n1Cc1ccccc1 ZINC000009634591 569554484 /nfs/dbraw/zinc/55/44/84/569554484.db2.gz KEECZFRNGXGZKF-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN CCCCCCc1cc2cc(-c3csc(Nc4cccc(C)c4)n3)c(=O)oc2cc1O ZINC000009635907 569554681 /nfs/dbraw/zinc/55/46/81/569554681.db2.gz SZHVQGUKPRYJMT-UHFFFAOYSA-N 0 0 434.561 6.797 50 0 IKAARN CC(C)CCN(C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)[C@@H](C)c1cccs1 ZINC000009636832 569554718 /nfs/dbraw/zinc/55/47/18/569554718.db2.gz ZHCBQGLORXIPFU-IBGZPJMESA-N 0 0 445.584 6.771 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc12 ZINC000009636750 569554731 /nfs/dbraw/zinc/55/47/31/569554731.db2.gz YTXYYLFUVUSGFS-UHFFFAOYSA-N 0 0 437.568 6.238 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)Cc3ccc(-c4ccccc4)cc3)C(C)C)n2)cc1 ZINC000009636630 569554741 /nfs/dbraw/zinc/55/47/41/569554741.db2.gz ZTHZPYWVDREXNB-UHFFFAOYSA-N 0 0 441.531 5.392 50 0 IKAARN O=C1c2ccccc2[C@@H](Nc2ccc(Br)cc2F)N1c1ccc(Cl)cc1 ZINC000009638833 569555035 /nfs/dbraw/zinc/55/50/35/569555035.db2.gz NKTJRQSHYFDFGE-IBGZPJMESA-N 0 0 431.692 6.013 50 0 IKAARN CCc1ccc(-c2nc(SCc3csc(N(C(C)=O)c4ccccc4)n3)n[nH]2)cc1 ZINC000009639892 569555277 /nfs/dbraw/zinc/55/52/77/569555277.db2.gz WPXWKZDLBDBFPC-UHFFFAOYSA-N 0 0 435.578 5.468 50 0 IKAARN COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1ccccc1 ZINC000009640199 569555328 /nfs/dbraw/zinc/55/53/28/569555328.db2.gz GBUTVGPGDRZZLL-UHFFFAOYSA-N 0 0 429.541 6.201 50 0 IKAARN COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1ccc(F)cc1 ZINC000009640229 569555341 /nfs/dbraw/zinc/55/53/41/569555341.db2.gz ILVLZCFCNBAJSY-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1ccc(C)cc1 ZINC000009640203 569555354 /nfs/dbraw/zinc/55/53/54/569555354.db2.gz LMDHFKFWBLAPKT-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN COC(=O)c1c(SCc2ccc(F)cc2)nc2ccccc2c1OCc1ccccc1C ZINC000009640312 569555405 /nfs/dbraw/zinc/55/54/05/569555405.db2.gz MZOLREZOVSFRJS-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN Cc1noc(C)c1CC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000009642132 569555764 /nfs/dbraw/zinc/55/57/64/569555764.db2.gz JOYGFRSZFIPPRF-UHFFFAOYSA-N 0 0 448.954 5.058 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CN(C)[C@@H](C)c3nc4ccccc4s3)cs2)cc1 ZINC000009642459 569555831 /nfs/dbraw/zinc/55/58/31/569555831.db2.gz ZGHURHMUPAEBAI-INIZCTEOSA-N 0 0 436.606 5.435 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCc1ccccc1Cl ZINC000009642736 569555842 /nfs/dbraw/zinc/55/58/42/569555842.db2.gz ZRSRYFJVFDIXCP-UHFFFAOYSA-N 0 0 447.966 5.574 50 0 IKAARN CCc1ccc(CNC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000009642927 569555885 /nfs/dbraw/zinc/55/58/85/569555885.db2.gz IUJYBAKDLHFSSV-UHFFFAOYSA-N 0 0 441.575 5.483 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Nc1cc(F)ccc1F ZINC000009642840 569555909 /nfs/dbraw/zinc/55/59/09/569555909.db2.gz ATVBSBSOKLNIQS-UHFFFAOYSA-N 0 0 435.474 5.521 50 0 IKAARN CCOc1cc(Br)c(CSc2nnc(-c3ccccc3C)o2)cc1OCC ZINC000009644195 569556043 /nfs/dbraw/zinc/55/60/43/569556043.db2.gz VYDYQSMOSDYUFB-UHFFFAOYSA-N 0 0 449.370 5.897 50 0 IKAARN c1c2c(sc1-c1nnc(CN3CCC(c4nc5ccccc5s4)CC3)o1)CCCC2 ZINC000009645192 569556060 /nfs/dbraw/zinc/55/60/60/569556060.db2.gz IJHXTWIOGVLPOF-UHFFFAOYSA-N 0 0 436.606 5.666 50 0 IKAARN Cc1c(Cl)cccc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl ZINC000009645545 569556124 /nfs/dbraw/zinc/55/61/24/569556124.db2.gz VOKJCDNXMDSSGI-HXUWFJFHSA-N 0 0 428.294 6.692 50 0 IKAARN COc1cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc(OC)c1OC ZINC000009645465 569556163 /nfs/dbraw/zinc/55/61/63/569556163.db2.gz CIZSNHNXPXUBLK-OAQYLSRUSA-N 0 0 435.455 5.103 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000009646137 569556283 /nfs/dbraw/zinc/55/62/83/569556283.db2.gz VRBMUAROTRQOMA-LLVKDONJSA-N 0 0 434.974 5.123 50 0 IKAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 ZINC000009646580 569556312 /nfs/dbraw/zinc/55/63/12/569556312.db2.gz BBOVYZACHAUERZ-FQEVSTJZSA-N 0 0 432.574 5.108 50 0 IKAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 ZINC000009646585 569556351 /nfs/dbraw/zinc/55/63/51/569556351.db2.gz BBOVYZACHAUERZ-HXUWFJFHSA-N 0 0 432.574 5.108 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(-c3ccccc3)cn2N)cs1)c1ccc(C)c(C)c1 ZINC000009647072 569556400 /nfs/dbraw/zinc/55/64/00/569556400.db2.gz VJRZQRFPUPDCAB-UHFFFAOYSA-N 0 0 449.605 5.314 50 0 IKAARN CN(Cc1ccsc1)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000009647553 569556436 /nfs/dbraw/zinc/55/64/36/569556436.db2.gz YFMISMRTZBDCTG-UHFFFAOYSA-N 0 0 429.567 5.310 50 0 IKAARN Cc1cccc2sc(NC(=O)c3ccc(COc4cccc5c4OC(C)(C)C5)cc3)nc21 ZINC000009659773 569556681 /nfs/dbraw/zinc/55/66/81/569556681.db2.gz QPHFDDUYHLNXDQ-UHFFFAOYSA-N 0 0 444.556 6.150 50 0 IKAARN Cc1noc(C)c1CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000009662136 569557090 /nfs/dbraw/zinc/55/70/90/569557090.db2.gz VKFXZHSDNAFIND-ZDLGFXPLSA-N 0 0 445.447 5.163 50 0 IKAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000009663233 569557213 /nfs/dbraw/zinc/55/72/13/569557213.db2.gz DZIJAGYCXBWSQU-UHFFFAOYSA-N 0 0 428.271 5.020 50 0 IKAARN CCOc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000009663719 569557263 /nfs/dbraw/zinc/55/72/63/569557263.db2.gz PSLARTKVVUEIQL-UHFFFAOYSA-N 0 0 442.924 5.074 50 0 IKAARN CCc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000009663883 569557297 /nfs/dbraw/zinc/55/72/97/569557297.db2.gz QOMFATQIZVNTLY-UHFFFAOYSA-N 0 0 426.925 5.238 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)c4ccc(-c5ccccc5)cc4)n3)oc21 ZINC000009663787 569557306 /nfs/dbraw/zinc/55/73/06/569557306.db2.gz CXWLUEBYAWOPED-UHFFFAOYSA-N 0 0 426.497 6.484 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000009664212 569557337 /nfs/dbraw/zinc/55/73/37/569557337.db2.gz ICZODOKECNUROU-UHFFFAOYSA-N 0 0 443.981 6.459 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)NC1CCCCC1 ZINC000009664231 569557378 /nfs/dbraw/zinc/55/73/78/569557378.db2.gz JJJSLHVZGIBCDH-UHFFFAOYSA-N 0 0 441.000 5.188 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c4ccccc4sc3c2=O)cc1 ZINC000009664667 569557495 /nfs/dbraw/zinc/55/74/95/569557495.db2.gz WEEYBEUZAOQWNH-UHFFFAOYSA-N 0 0 442.565 5.884 50 0 IKAARN O=C(Nc1ccccc1Cl)C(=Cc1cccc(F)c1)C(=O)Nc1ccccc1Cl ZINC000009664815 569557497 /nfs/dbraw/zinc/55/74/97/569557497.db2.gz UGXVEKXUGNGEIX-UHFFFAOYSA-N 0 0 429.278 5.793 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000009666413 569557756 /nfs/dbraw/zinc/55/77/56/569557756.db2.gz ACSHZHSLJJXRSE-OAQYLSRUSA-N 0 0 427.859 5.333 50 0 IKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c3ccccc3[nH]c2-c2ccc(C)cc2)o1 ZINC000009667300 569557773 /nfs/dbraw/zinc/55/77/73/569557773.db2.gz VPDIXFWGAPITQU-NDEPHWFRSA-N 0 0 432.523 6.790 50 0 IKAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)cc1 ZINC000009667293 569557778 /nfs/dbraw/zinc/55/77/78/569557778.db2.gz XHHLEXNIVOBZGE-MUUNZHRXSA-N 0 0 432.523 6.492 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000009667352 569557781 /nfs/dbraw/zinc/55/77/81/569557781.db2.gz QRZPGJASZKCOJW-HHHXNRCGSA-N 0 0 434.495 6.182 50 0 IKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c3ccccc3n(C)c2-c2ccccc2)o1 ZINC000009668380 569557902 /nfs/dbraw/zinc/55/79/02/569557902.db2.gz XXRMBWRHOPERQT-NDEPHWFRSA-N 0 0 432.523 6.492 50 0 IKAARN COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)c1 ZINC000009668421 569557974 /nfs/dbraw/zinc/55/79/74/569557974.db2.gz NASGONLAAVCVCX-MUUNZHRXSA-N 0 0 448.522 6.192 50 0 IKAARN COc1cc(C)c(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1OC ZINC000009669377 569558024 /nfs/dbraw/zinc/55/80/24/569558024.db2.gz MFZVRKLTWWYGCT-UHFFFAOYSA-N 0 0 437.348 5.624 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009669577 569558081 /nfs/dbraw/zinc/55/80/81/569558081.db2.gz WAAKCHNQRXOLGK-YADHBBJMSA-N 0 0 431.561 5.314 50 0 IKAARN CCc1cccc2c(C(=O)CSc3nnc([C@H](C)Oc4ccc(F)cc4)o3)c[nH]c21 ZINC000009669729 569558085 /nfs/dbraw/zinc/55/80/85/569558085.db2.gz IBUDFGOCJKWSGX-ZDUSSCGKSA-N 0 0 425.485 5.367 50 0 IKAARN COc1cccc([C@H](CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc32)c1OC ZINC000009669878 569558193 /nfs/dbraw/zinc/55/81/93/569558193.db2.gz OUDHKZZHBAFICT-FQEVSTJZSA-N 0 0 436.458 5.025 50 0 IKAARN CN(Cc1ccc(Cl)cc1)C(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000009670029 569558235 /nfs/dbraw/zinc/55/82/35/569558235.db2.gz VWSPUILUCSQMIP-UHFFFAOYSA-N 0 0 425.863 5.053 50 0 IKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000009670102 569558243 /nfs/dbraw/zinc/55/82/43/569558243.db2.gz DAOLDJGAMMYLAH-JOCHJYFZSA-N 0 0 427.504 5.120 50 0 IKAARN COc1ccc(-c2nnc(SCc3csc(Nc4ccc(C)cc4)n3)o2)c(OC)c1 ZINC000009670389 569558307 /nfs/dbraw/zinc/55/83/07/569558307.db2.gz DPFSYWJWZHHVKN-UHFFFAOYSA-N 0 0 440.550 5.555 50 0 IKAARN Cc1ccc(CSc2nnc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)s2)cc1 ZINC000009671217 569558504 /nfs/dbraw/zinc/55/85/04/569558504.db2.gz JUMCJHCSRVELPW-UHFFFAOYSA-N 0 0 445.438 5.016 50 0 IKAARN CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000009672557 569558852 /nfs/dbraw/zinc/55/88/52/569558852.db2.gz QHVVIKKHJGVOJM-UHFFFAOYSA-N 0 0 434.565 5.104 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(C)cc3)[nH]c2SCC(=O)NCc2ccco2)cc1 ZINC000009674129 569559069 /nfs/dbraw/zinc/55/90/69/569559069.db2.gz DJRVXBAQZGWTQG-UHFFFAOYSA-N 0 0 433.533 5.062 50 0 IKAARN CCOc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1 ZINC000009674106 569559104 /nfs/dbraw/zinc/55/91/04/569559104.db2.gz WWKYLEXXBZDTOB-UHFFFAOYSA-N 0 0 433.533 5.144 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000009674110 569559114 /nfs/dbraw/zinc/55/91/14/569559114.db2.gz VFVVIOXJCVKBFH-UHFFFAOYSA-N 0 0 433.533 5.062 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 ZINC000009674139 569559131 /nfs/dbraw/zinc/55/91/31/569559131.db2.gz UJJWYPIZGDERRG-UHFFFAOYSA-N 0 0 436.562 5.248 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)cc1 ZINC000009674194 569559145 /nfs/dbraw/zinc/55/91/45/569559145.db2.gz VCCCHOMNOXTCNQ-UHFFFAOYSA-N 0 0 443.528 5.512 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000009675910 569559304 /nfs/dbraw/zinc/55/93/04/569559304.db2.gz SWDCTRJYSWZDBH-UHFFFAOYSA-N 0 0 428.333 6.620 50 0 IKAARN Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 ZINC000009675872 569559330 /nfs/dbraw/zinc/55/93/30/569559330.db2.gz GEFRCTTUWNGBAR-UHFFFAOYSA-N 0 0 426.253 6.826 50 0 IKAARN Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 ZINC000009675874 569559333 /nfs/dbraw/zinc/55/93/33/569559333.db2.gz IQJFCCRKYOCKAH-UHFFFAOYSA-N 0 0 436.259 6.281 50 0 IKAARN COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 ZINC000009675988 569559354 /nfs/dbraw/zinc/55/93/54/569559354.db2.gz JPSPSWCKGMCQKF-UHFFFAOYSA-N 0 0 427.435 5.160 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4Cl)c3c2c1 ZINC000009676003 569559359 /nfs/dbraw/zinc/55/93/59/569559359.db2.gz NWHXUZASJNHCBO-UHFFFAOYSA-N 0 0 434.326 6.865 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCCO5)cc1C ZINC000009675962 569559360 /nfs/dbraw/zinc/55/93/60/569559360.db2.gz COOQDHOONNDUEF-UHFFFAOYSA-N 0 0 425.463 5.768 50 0 IKAARN Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4Cl)c3c2c1 ZINC000009676000 569559370 /nfs/dbraw/zinc/55/93/70/569559370.db2.gz MKGKWMQLSWLXSI-UHFFFAOYSA-N 0 0 426.253 6.826 50 0 IKAARN COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc(OC)c(OC)cc4c32)cc1 ZINC000009675991 569559376 /nfs/dbraw/zinc/55/93/76/569559376.db2.gz HZDPQULVDJRQOL-UHFFFAOYSA-N 0 0 429.451 5.406 50 0 IKAARN CCc1ccc2ncc3c(-c4cccc(Br)c4)nn(-c4ccccc4)c3c2c1 ZINC000009676141 569559412 /nfs/dbraw/zinc/55/94/12/569559412.db2.gz XHSXHPUVROJCAH-UHFFFAOYSA-N 0 0 428.333 6.566 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(F)cc4c32)cc1 ZINC000009676115 569559429 /nfs/dbraw/zinc/55/94/29/569559429.db2.gz RWWDVDMVNTVEPO-UHFFFAOYSA-N 0 0 432.296 6.451 50 0 IKAARN Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccccc4Cl)c3c2c1 ZINC000009676121 569559432 /nfs/dbraw/zinc/55/94/32/569559432.db2.gz GVEBYLVNLIKXEA-UHFFFAOYSA-N 0 0 448.751 6.965 50 0 IKAARN Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1C ZINC000009676170 569559447 /nfs/dbraw/zinc/55/94/47/569559447.db2.gz RRMIEOLECWBPFM-UHFFFAOYSA-N 0 0 446.323 6.759 50 0 IKAARN Cc1ccc(CSC[C@H]2COC(c3cccn3Cc3ccc(F)cc3Cl)=N2)cc1 ZINC000009676222 569559454 /nfs/dbraw/zinc/55/94/54/569559454.db2.gz GXWYWUZNPINXSE-HXUWFJFHSA-N 0 0 428.960 5.716 50 0 IKAARN Clc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccccc4c32)cc1 ZINC000009676101 569559456 /nfs/dbraw/zinc/55/94/56/569559456.db2.gz XCNBYOCKSHOYLW-UHFFFAOYSA-N 0 0 434.724 6.657 50 0 IKAARN CN(C(=O)c1ccccc1F)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000009678935 569559688 /nfs/dbraw/zinc/55/96/88/569559688.db2.gz 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Cc1cc(C)cc(Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)c1 ZINC000009680815 569560188 /nfs/dbraw/zinc/56/01/88/569560188.db2.gz JIAKMJVOHJALIK-UHFFFAOYSA-N 0 0 425.488 5.254 50 0 IKAARN CCc1ccccc1Nc1cc(C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2n1 ZINC000009680730 569560203 /nfs/dbraw/zinc/56/02/03/569560203.db2.gz LFCDJRRSTFEVLV-IBGZPJMESA-N 0 0 439.515 5.111 50 0 IKAARN Cc1cc(C)cc(Nc2cc(C(=O)NC[C@H]3COc4ccccc4O3)c3ccccc3n2)c1 ZINC000009680819 569560218 /nfs/dbraw/zinc/56/02/18/569560218.db2.gz WCIHGFUKPNKGHF-FQEVSTJZSA-N 0 0 439.515 5.165 50 0 IKAARN Cc1cc(=O)oc2cc(N[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3Cl)ccc12 ZINC000009681073 569560230 /nfs/dbraw/zinc/56/02/30/569560230.db2.gz XUDXWDGIKLDFIQ-DEOSSOPVSA-N 0 0 430.891 5.522 50 0 IKAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1Br ZINC000009681102 569560248 /nfs/dbraw/zinc/56/02/48/569560248.db2.gz VNBHLFAVAYUDAC-NRFANRHFSA-N 0 0 441.756 6.178 50 0 IKAARN Cc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)c(C)c1 ZINC000009683126 569560298 /nfs/dbraw/zinc/56/02/98/569560298.db2.gz PGKWOSXLAVZUSD-UHFFFAOYSA-N 0 0 427.392 6.980 50 0 IKAARN CCc1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000009682140 569560312 /nfs/dbraw/zinc/56/03/12/569560312.db2.gz IHJSNHCNUPWWNB-UHFFFAOYSA-N 0 0 436.515 5.001 50 0 IKAARN Brc1ccc(-c2csc(-c3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000009683072 569560319 /nfs/dbraw/zinc/56/03/19/569560319.db2.gz XQJBQCXFLWCTDD-UHFFFAOYSA-N 0 0 443.347 6.092 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c(C)n1C1CC1 ZINC000009684899 569560545 /nfs/dbraw/zinc/56/05/45/569560545.db2.gz CGPUUJOWVSHIBW-UHFFFAOYSA-N 0 0 446.576 5.623 50 0 IKAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000009684433 569560577 /nfs/dbraw/zinc/56/05/77/569560577.db2.gz PXTXTFWESLDOHG-UHFFFAOYSA-N 0 0 439.540 5.622 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1Cl ZINC000009693073 569561140 /nfs/dbraw/zinc/56/11/40/569561140.db2.gz MFTCWIGKTCVPKX-UHFFFAOYSA-N 0 0 445.903 5.364 50 0 IKAARN COc1cc(OC)c(NC(=O)CSc2c3c(nc4ccccc42)CCC3)cc1Cl ZINC000009693722 569561142 /nfs/dbraw/zinc/56/11/42/569561142.db2.gz JJXMPZLYRNAGGL-UHFFFAOYSA-N 0 0 428.941 5.125 50 0 IKAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1c(Cl)cccc1Cl ZINC000009703444 569561279 /nfs/dbraw/zinc/56/12/79/569561279.db2.gz IAHZUDGDJWALRR-UHFFFAOYSA-N 0 0 428.271 5.413 50 0 IKAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000009707690 569561584 /nfs/dbraw/zinc/56/15/84/569561584.db2.gz RXYFQEZEKAJKTL-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 ZINC000009707725 569561672 /nfs/dbraw/zinc/56/16/72/569561672.db2.gz ORYCAXFEKMPSCP-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-n2cccc2)c1C ZINC000009707887 569561711 /nfs/dbraw/zinc/56/17/11/569561711.db2.gz HDJLUEWOXUYQSR-UHFFFAOYSA-N 0 0 437.956 5.059 50 0 IKAARN COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000009708982 569561972 /nfs/dbraw/zinc/56/19/72/569561972.db2.gz JODJFUSHXZGPLM-RMKNXTFCSA-N 0 0 441.965 5.661 50 0 IKAARN CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc21 ZINC000009711775 569562058 /nfs/dbraw/zinc/56/20/58/569562058.db2.gz JPZCDHWSMHZVKZ-MRXNPFEDSA-N 0 0 448.617 6.028 50 0 IKAARN O=C(CSc1ccc2ccccc2c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009712131 569562133 /nfs/dbraw/zinc/56/21/33/569562133.db2.gz SCIBVRIETGHYSK-UHFFFAOYSA-N 0 0 428.561 5.556 50 0 IKAARN CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC ZINC000009712426 569562274 /nfs/dbraw/zinc/56/22/74/569562274.db2.gz RFFMJSSLYNLAEV-UHFFFAOYSA-N 0 0 433.533 5.320 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000009712721 569562303 /nfs/dbraw/zinc/56/23/03/569562303.db2.gz BKTZIYDMMQLTBM-UHFFFAOYSA-N 0 0 439.519 5.058 50 0 IKAARN CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000009712703 569562330 /nfs/dbraw/zinc/56/23/30/569562330.db2.gz FAHDDZYJMCOVFE-UHFFFAOYSA-N 0 0 434.542 5.133 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccnn1Cc1cc(Br)cs1 ZINC000009712887 569562364 /nfs/dbraw/zinc/56/23/64/569562364.db2.gz NREOHJHBQRUDBK-UHFFFAOYSA-N 0 0 442.338 5.170 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000009712972 569562407 /nfs/dbraw/zinc/56/24/07/569562407.db2.gz DAICWICMGKQBFN-UHFFFAOYSA-N 0 0 449.982 5.588 50 0 IKAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 ZINC000009713157 569562491 /nfs/dbraw/zinc/56/24/91/569562491.db2.gz KDLFYQBGMUJOCB-QFIPXVFZSA-N 0 0 430.504 5.026 50 0 IKAARN O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009713610 569562645 /nfs/dbraw/zinc/56/26/45/569562645.db2.gz GZRZIFFWIIPTLV-UHFFFAOYSA-N 0 0 436.865 5.053 50 0 IKAARN CCC(=O)N(c1nnc(SCc2csc(Nc3ccc(C)cc3)n2)s1)C1CC1 ZINC000009716819 569563207 /nfs/dbraw/zinc/56/32/07/569563207.db2.gz DLFVLKZMEMKFNA-UHFFFAOYSA-N 0 0 431.612 5.244 50 0 IKAARN CCN(CC)c1ccc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3)n2)cc1 ZINC000009717127 569563243 /nfs/dbraw/zinc/56/32/43/569563243.db2.gz PTWUKYYBCPXQJN-UHFFFAOYSA-N 0 0 437.565 5.339 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009720344 569563260 /nfs/dbraw/zinc/56/32/60/569563260.db2.gz YVCIEDQSNQPEOR-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN O=C1/C(=C\c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000009720896 569563330 /nfs/dbraw/zinc/56/33/30/569563330.db2.gz GVSWZUGWKHMTRH-ZNCAUEQNSA-N 0 0 443.572 6.074 50 0 IKAARN Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000009722861 569563478 /nfs/dbraw/zinc/56/34/78/569563478.db2.gz WKEBYVZWMXKFLM-UHFFFAOYSA-N 0 0 426.358 5.546 50 0 IKAARN C[C@H](NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 ZINC000009724052 569563661 /nfs/dbraw/zinc/56/36/61/569563661.db2.gz TWRNYSADMOKXEC-HOTGVXAUSA-N 0 0 442.560 5.540 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1)c1ccco1 ZINC000009724435 569563728 /nfs/dbraw/zinc/56/37/28/569563728.db2.gz DQPAHKLNWGNUEG-QGZVFWFLSA-N 0 0 431.517 5.161 50 0 IKAARN COc1cccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)c1 ZINC000009725371 569563757 /nfs/dbraw/zinc/56/37/57/569563757.db2.gz UPUMCRHPXJSPTG-UHFFFAOYSA-N 0 0 426.451 5.038 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cs1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009727131 569564022 /nfs/dbraw/zinc/56/40/22/569564022.db2.gz NTPRSFUORWAJBS-LJQANCHMSA-N 0 0 438.574 5.037 50 0 IKAARN O=C(COc1ccccc1)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000009727546 569564059 /nfs/dbraw/zinc/56/40/59/569564059.db2.gz IHWJRQIJXRMFIZ-UHFFFAOYSA-N 0 0 429.501 5.080 50 0 IKAARN Brc1ccccc1-c1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 ZINC000009729253 569564240 /nfs/dbraw/zinc/56/42/40/569564240.db2.gz AAJLTRYHKUXRHF-MRXNPFEDSA-N 0 0 430.371 5.027 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000009729529 569564263 /nfs/dbraw/zinc/56/42/63/569564263.db2.gz XVOVQZQJECZWSE-ROUUACIJSA-N 0 0 444.560 5.045 50 0 IKAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4s3)[C@H](c3ccco3)C2)cc1 ZINC000009730140 569564320 /nfs/dbraw/zinc/56/43/20/569564320.db2.gz SAXQCKVLTJAQCM-IBGZPJMESA-N 0 0 449.557 5.368 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N[C@@H]1CCCc2ccccc21 ZINC000009730075 569564328 /nfs/dbraw/zinc/56/43/28/569564328.db2.gz OHGBRUDWCXSABY-HXUWFJFHSA-N 0 0 436.581 5.329 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc2ccccc21 ZINC000009729993 569564356 /nfs/dbraw/zinc/56/43/56/569564356.db2.gz MJSZZEXLCGULHB-GOSISDBHSA-N 0 0 442.588 5.327 50 0 IKAARN Clc1ccccc1-c1noc(CSc2nnc(Cc3cccs3)n2C2CC2)n1 ZINC000009730200 569564369 /nfs/dbraw/zinc/56/43/69/569564369.db2.gz JZGQJSMLQDVJSA-UHFFFAOYSA-N 0 0 429.958 5.261 50 0 IKAARN CNC(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Oc4ccccc4)c3)n2)c1 ZINC000009730318 569564388 /nfs/dbraw/zinc/56/43/88/569564388.db2.gz JXUGPVMQHJKCQW-UHFFFAOYSA-N 0 0 443.528 5.143 50 0 IKAARN O=C(NC1CCCCCCC1)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000009731414 569564556 /nfs/dbraw/zinc/56/45/56/569564556.db2.gz JXRUYIDXHFGJHF-AREMUKBSSA-N 0 0 438.387 5.193 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1 ZINC000009734057 569564731 /nfs/dbraw/zinc/56/47/31/569564731.db2.gz CXGPQJJMWSUEQJ-UHFFFAOYSA-N 0 0 446.482 5.072 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009739304 569565041 /nfs/dbraw/zinc/56/50/41/569565041.db2.gz JOXWZDUDQVAXAU-UHFFFAOYSA-N 0 0 432.549 5.463 50 0 IKAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1SC[C@H]1CCCO1 ZINC000009739625 569565080 /nfs/dbraw/zinc/56/50/80/569565080.db2.gz BSTVIZUACUPLCR-HXUWFJFHSA-N 0 0 448.592 5.195 50 0 IKAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3Cl)co2)n1 ZINC000009739636 569565086 /nfs/dbraw/zinc/56/50/86/569565086.db2.gz CZWYEXUSJBRQLB-UHFFFAOYSA-N 0 0 428.318 5.223 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000009740537 569565129 /nfs/dbraw/zinc/56/51/29/569565129.db2.gz GKUNWPXVSDZRNJ-RUZDIDTESA-N 0 0 426.520 5.216 50 0 IKAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000009741254 569565271 /nfs/dbraw/zinc/56/52/71/569565271.db2.gz OJBUMRHJBPCBGV-UHFFFAOYSA-N 0 0 442.949 5.273 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000009741678 569565328 /nfs/dbraw/zinc/56/53/28/569565328.db2.gz LZKMLLILMDOAMK-RUZDIDTESA-N 0 0 442.584 6.298 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nncn3-c3cc(C)ccc3C)cs2)cc1 ZINC000009744236 569565565 /nfs/dbraw/zinc/56/55/65/569565565.db2.gz FSYLQHUQJQXCJM-UHFFFAOYSA-N 0 0 449.605 5.123 50 0 IKAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009746170 569565732 /nfs/dbraw/zinc/56/57/32/569565732.db2.gz SYJYKGLNGAFTFM-UHFFFAOYSA-N 0 0 441.487 5.207 50 0 IKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000009747062 569565821 /nfs/dbraw/zinc/56/58/21/569565821.db2.gz LQFAXVNZVULCGX-UHFFFAOYSA-N 0 0 434.580 5.545 50 0 IKAARN Cc1c(C[NH2+]CCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000009747289 569565850 /nfs/dbraw/zinc/56/58/50/569565850.db2.gz YIXZJCTXYGPCTP-UHFFFAOYSA-N 0 0 431.363 5.491 50 0 IKAARN CCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000009749283 569566007 /nfs/dbraw/zinc/56/60/07/569566007.db2.gz RBJUDPIZDPAMBD-UHFFFAOYSA-N 0 0 441.940 5.327 50 0 IKAARN CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c3ccccc3oc2c1=O ZINC000009749473 569566012 /nfs/dbraw/zinc/56/60/12/569566012.db2.gz NVXFTOVJEIHUPR-UHFFFAOYSA-N 0 0 435.549 5.290 50 0 IKAARN CC(C)CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccccc1F ZINC000009751227 569566065 /nfs/dbraw/zinc/56/60/65/569566065.db2.gz ZRVYQLMHPIAVPB-UHFFFAOYSA-N 0 0 439.512 5.059 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C2CCCC2)cc1C ZINC000009752448 569566122 /nfs/dbraw/zinc/56/61/22/569566122.db2.gz CQCXKNZICJPFCH-UHFFFAOYSA-N 0 0 447.560 5.605 50 0 IKAARN Fc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000009761141 569566230 /nfs/dbraw/zinc/56/62/30/569566230.db2.gz MGDYTDQCMMETGG-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN Cc1cccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)cc2)c1 ZINC000009762214 569566423 /nfs/dbraw/zinc/56/64/23/569566423.db2.gz AOWUQYMJPFGRAO-QGZVFWFLSA-N 0 0 446.572 5.543 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2S(C)(=O)=O)c(-c2nc3ccccc3s2)c1C ZINC000009762053 569566434 /nfs/dbraw/zinc/56/64/34/569566434.db2.gz GFTJBFIADKXFBV-UHFFFAOYSA-N 0 0 442.587 5.297 50 0 IKAARN Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1C ZINC000009762495 569566482 /nfs/dbraw/zinc/56/64/82/569566482.db2.gz VSOSHSYXLJWQEM-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN Cc1cccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccccc2)c1 ZINC000009763424 569566643 /nfs/dbraw/zinc/56/66/43/569566643.db2.gz REVSKFAZNLICGN-UHFFFAOYSA-N 0 0 436.378 6.298 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)cc(=O)oc2c1 ZINC000009766943 569566867 /nfs/dbraw/zinc/56/68/67/569566867.db2.gz UBILTHCXRZAPAB-UHFFFAOYSA-N 0 0 444.491 5.176 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3n2)cc1 ZINC000009775313 569566959 /nfs/dbraw/zinc/56/69/59/569566959.db2.gz QMRCTFGVCNAKPY-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN COc1ccc(C(=O)NCCn2cc(SCc3ccc(F)cc3)c3ccccc32)cc1 ZINC000009775745 569566978 /nfs/dbraw/zinc/56/69/78/569566978.db2.gz ZENPNPLGTCEZNY-UHFFFAOYSA-N 0 0 434.536 5.511 50 0 IKAARN COc1ccccc1C(=O)NCCn1cc(SCc2ccc(F)cc2)c2ccccc21 ZINC000009775757 569566982 /nfs/dbraw/zinc/56/69/82/569566982.db2.gz RXFMBPYIDPLQQX-UHFFFAOYSA-N 0 0 434.536 5.511 50 0 IKAARN C[C@@H](Sc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)c1ccccc1 ZINC000009775844 569567025 /nfs/dbraw/zinc/56/70/25/569567025.db2.gz RMOJXWQVOOHWRG-QGZVFWFLSA-N 0 0 436.527 6.203 50 0 IKAARN CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(OC)cc1 ZINC000009776142 569567070 /nfs/dbraw/zinc/56/70/70/569567070.db2.gz JCYQQOUXSPODNJ-DQEYMECFSA-N 0 0 434.580 5.177 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc4c(s3)c3ccccc3oc4=O)ccc21 ZINC000009776819 569567092 /nfs/dbraw/zinc/56/70/92/569567092.db2.gz BIKUHUAZPHKMJU-UHFFFAOYSA-N 0 0 438.508 6.388 50 0 IKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1ccc(C)c(C)c1 ZINC000009780469 569567495 /nfs/dbraw/zinc/56/74/95/569567495.db2.gz CFXRFTUGRZIJLM-UHFFFAOYSA-N 0 0 426.592 5.742 50 0 IKAARN CCOc1ccccc1N(C)C(=O)c1cnc(Nc2ccc(C)c(Cl)c2)c2ccccc12 ZINC000009776815 569567140 /nfs/dbraw/zinc/56/71/40/569567140.db2.gz MQPRITMPUSQYFM-UHFFFAOYSA-N 0 0 445.950 6.616 50 0 IKAARN CCOC(=O)N1CCC(NC(=O)c2cc(Sc3ccc(C)cc3)nc3ccccc32)CC1 ZINC000009777207 569567159 /nfs/dbraw/zinc/56/71/59/569567159.db2.gz CXVAMRCDYJJUPL-UHFFFAOYSA-N 0 0 449.576 5.045 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccc(C)cc1 ZINC000009777561 569567171 /nfs/dbraw/zinc/56/71/71/569567171.db2.gz KGIXCMLOIZGPRV-QFIPXVFZSA-N 0 0 449.348 5.758 50 0 IKAARN COc1ccc(C(=O)NCCn2cc(S[C@@H](C)c3ccccc3)c3ccccc32)cc1 ZINC000009777560 569567182 /nfs/dbraw/zinc/56/71/82/569567182.db2.gz VAUNQXDDCNWKRZ-IBGZPJMESA-N 0 0 430.573 5.933 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1 ZINC000009777615 569567184 /nfs/dbraw/zinc/56/71/84/569567184.db2.gz GHDUYTNCNGYNCL-UHFFFAOYSA-N 0 0 448.950 6.906 50 0 IKAARN Cc1ccc(C)c(CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)c1 ZINC000009777823 569567195 /nfs/dbraw/zinc/56/71/95/569567195.db2.gz RCXMYCLONLLVBJ-UHFFFAOYSA-N 0 0 432.564 6.120 50 0 IKAARN Cc1cccc(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2Cl)c3=O)c1C ZINC000009779470 569567401 /nfs/dbraw/zinc/56/74/01/569567401.db2.gz KUVQFFJAKBBTQS-UHFFFAOYSA-N 0 0 447.918 6.056 50 0 IKAARN CCOc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000009779709 569567419 /nfs/dbraw/zinc/56/74/19/569567419.db2.gz KATBWASWSSPFKI-UHFFFAOYSA-N 0 0 444.535 5.269 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000009779701 569567422 /nfs/dbraw/zinc/56/74/22/569567422.db2.gz FBHHJKQNJPOOES-UHFFFAOYSA-N 0 0 427.891 6.297 50 0 IKAARN CCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000009779755 569567430 /nfs/dbraw/zinc/56/74/30/569567430.db2.gz CKUGCGPGJAQPGL-YTMVLYRLSA-N 0 0 434.539 6.871 50 0 IKAARN O=C(CSc1nncs1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000009781436 569567559 /nfs/dbraw/zinc/56/75/59/569567559.db2.gz YRNUPCSHNVGHEB-UHFFFAOYSA-N 0 0 442.566 5.126 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCc2ccccc21 ZINC000009782238 569567672 /nfs/dbraw/zinc/56/76/72/569567672.db2.gz BVOOAESDMKPQGV-UHFFFAOYSA-N 0 0 436.511 5.369 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H]3c3nc4ccccc4s3)ccc2c1 ZINC000009782279 569567675 /nfs/dbraw/zinc/56/76/75/569567675.db2.gz OHPIJQATKQRXDZ-QHCPKHFHSA-N 0 0 445.588 5.254 50 0 IKAARN COc1cccc(-n2nc(C)c(CCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2C)c1 ZINC000009782303 569567694 /nfs/dbraw/zinc/56/76/94/569567694.db2.gz JAHQUSIWDXRADJ-UHFFFAOYSA-N 0 0 447.535 5.111 50 0 IKAARN CC(C)(C)c1cc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc(C(C)(C)C)c1O ZINC000009782009 569567702 /nfs/dbraw/zinc/56/77/02/569567702.db2.gz NRTAPBHXRZXOMO-UHFFFAOYSA-N 0 0 431.001 6.492 50 0 IKAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009783634 569567869 /nfs/dbraw/zinc/56/78/69/569567869.db2.gz WNBCFIHAJFTWFS-HNNXBMFYSA-N 0 0 439.993 6.093 50 0 IKAARN CSc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000009784901 569567892 /nfs/dbraw/zinc/56/78/92/569567892.db2.gz CSXAKMLBAZYAKW-UHFFFAOYSA-N 0 0 432.958 5.344 50 0 IKAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccccc1Oc1ccccc1 ZINC000009784632 569567919 /nfs/dbraw/zinc/56/79/19/569567919.db2.gz HOXWFIBREHKDKR-UHFFFAOYSA-N 0 0 444.516 5.761 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 ZINC000009788925 569568001 /nfs/dbraw/zinc/56/80/01/569568001.db2.gz WGFNKMJFHJKWFV-OAHLLOKOSA-N 0 0 428.533 5.152 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000009789028 569568027 /nfs/dbraw/zinc/56/80/27/569568027.db2.gz VOXLOEPNIDDLEV-KRWDZBQOSA-N 0 0 444.560 5.194 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1 ZINC000009789410 569568108 /nfs/dbraw/zinc/56/81/08/569568108.db2.gz GBZLYXIPDRBPTM-QGZVFWFLSA-N 0 0 427.529 5.619 50 0 IKAARN Cc1oc2cc(OCC(=O)N3c4ccccc4C[C@@H]3C)ccc2c(=O)c1-c1ccccc1 ZINC000009789858 569568171 /nfs/dbraw/zinc/56/81/71/569568171.db2.gz GMCLWPPDJOQNOT-KRWDZBQOSA-N 0 0 425.484 5.125 50 0 IKAARN Cc1oc2cc(OCC(=O)N3c4ccccc4C[C@H]3C)ccc2c(=O)c1-c1ccccc1 ZINC000009789862 569568187 /nfs/dbraw/zinc/56/81/87/569568187.db2.gz GMCLWPPDJOQNOT-QGZVFWFLSA-N 0 0 425.484 5.125 50 0 IKAARN C[C@H]1CCc2sc(-c3nnc(SCc4nc(-c5ccc(F)cc5)no4)o3)cc2C1 ZINC000009791914 569568278 /nfs/dbraw/zinc/56/82/78/569568278.db2.gz QGOQEAXUXQFWOR-NSHDSACASA-N 0 0 428.514 5.404 50 0 IKAARN Cc1cc(C(=O)CSc2nc(C)nc3sc(C)c(C)c32)c(C)n1C[C@H]1CCCO1 ZINC000009791905 569568297 /nfs/dbraw/zinc/56/82/97/569568297.db2.gz DDXXVXVAMHHQTF-QGZVFWFLSA-N 0 0 429.611 5.189 50 0 IKAARN COc1cccc(CN(C)C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000009794830 569568395 /nfs/dbraw/zinc/56/83/95/569568395.db2.gz RBKKDQLTGQRRMG-UHFFFAOYSA-N 0 0 435.574 5.118 50 0 IKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)C1CCN(C(=O)c2cccs2)CC1 ZINC000009797741 569568486 /nfs/dbraw/zinc/56/84/86/569568486.db2.gz MNNUQHZHSGLUKD-UHFFFAOYSA-N 0 0 447.585 5.516 50 0 IKAARN C[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc21)c1ccc2c(c1)OCO2 ZINC000009797601 569568515 /nfs/dbraw/zinc/56/85/15/569568515.db2.gz UFTYKDNCDFLAFY-CQSZACIVSA-N 0 0 449.557 5.057 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000009797804 569568523 /nfs/dbraw/zinc/56/85/23/569568523.db2.gz MBFLCLAZECXJCO-OAHLLOKOSA-N 0 0 435.524 5.416 50 0 IKAARN C[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009799755 569568585 /nfs/dbraw/zinc/56/85/85/569568585.db2.gz BUWUDFHTIGELRC-HNNXBMFYSA-N 0 0 443.473 5.129 50 0 IKAARN C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009799761 569568603 /nfs/dbraw/zinc/56/86/03/569568603.db2.gz BUWUDFHTIGELRC-OAHLLOKOSA-N 0 0 443.473 5.129 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)N1CCc2ccccc2C1)CC[C@H](c1ccccc1)C3 ZINC000009804785 569568688 /nfs/dbraw/zinc/56/86/88/569568688.db2.gz PWGIOKJLJNEOCD-IBGZPJMESA-N 0 0 439.584 5.350 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1nnc(SCc2ccccc2Br)s1 ZINC000009805687 569568734 /nfs/dbraw/zinc/56/87/34/569568734.db2.gz RKXGWJAPYQMTQK-ZHACJKMWSA-N 0 0 432.368 5.245 50 0 IKAARN COc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000009805595 569568736 /nfs/dbraw/zinc/56/87/36/569568736.db2.gz PCCSOPIIYINTOL-UHFFFAOYSA-N 0 0 437.304 5.242 50 0 IKAARN O=C(c1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12)C(F)(F)F ZINC000009805629 569568761 /nfs/dbraw/zinc/56/87/61/569568761.db2.gz HYJHWBUVHNPGJK-UHFFFAOYSA-N 0 0 446.650 5.881 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000009805594 569568781 /nfs/dbraw/zinc/56/87/81/569568781.db2.gz QHFVJSLYUJKGLO-QGZVFWFLSA-N 0 0 445.975 6.583 50 0 IKAARN COc1cccc(NC(=O)CSc2nc(C)nc3scc(-c4cccs4)c32)c1 ZINC000009806883 569568918 /nfs/dbraw/zinc/56/89/18/569568918.db2.gz FBLHMVSIHHZEBC-UHFFFAOYSA-N 0 0 427.576 5.468 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009814798 569569135 /nfs/dbraw/zinc/56/91/35/569569135.db2.gz AQYNMDJJMPFIEA-UHFFFAOYSA-N 0 0 447.539 5.495 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)c2)cs1 ZINC000009814188 569569147 /nfs/dbraw/zinc/56/91/47/569569147.db2.gz VUVLUXGIESGZJB-UHFFFAOYSA-N 0 0 437.590 5.085 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)Nc1cccc(C(C)=O)c1 ZINC000009814227 569569168 /nfs/dbraw/zinc/56/91/68/569569168.db2.gz KLKDZQNBJIVTMQ-UHFFFAOYSA-N 0 0 425.488 5.062 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 ZINC000009814733 569569176 /nfs/dbraw/zinc/56/91/76/569569176.db2.gz WEPDPYICRHFTOZ-UHFFFAOYSA-N 0 0 426.592 5.766 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009815335 569569239 /nfs/dbraw/zinc/56/92/39/569569239.db2.gz YTHSSKXSVCZWDJ-NRFANRHFSA-N 0 0 438.984 5.142 50 0 IKAARN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009817808 569569295 /nfs/dbraw/zinc/56/92/95/569569295.db2.gz HSDODWIPHQZMKW-UHFFFAOYSA-N 0 0 435.530 5.430 50 0 IKAARN Cc1ccc(S(=O)(=O)c2c(N)c(C(=O)c3ccccc3)sc2Nc2ccccc2)cc1 ZINC000009824588 569569648 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445.719 6.008 50 0 IKAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000009835323 569570611 /nfs/dbraw/zinc/57/06/11/569570611.db2.gz NACUGRMVPFRAOA-HXUWFJFHSA-N 0 0 448.350 5.181 50 0 IKAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(Cl)cc2Cl)CC1 ZINC000009835358 569570655 /nfs/dbraw/zinc/57/06/55/569570655.db2.gz VIUDNMPLTUAEPM-HXUWFJFHSA-N 0 0 448.350 5.181 50 0 IKAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000009835640 569570665 /nfs/dbraw/zinc/57/06/65/569570665.db2.gz HNPCLQYHVOFEHF-VXKWHMMOSA-N 0 0 438.886 5.037 50 0 IKAARN COc1cc2nc(SCc3ccc(C)cc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009838617 569570857 /nfs/dbraw/zinc/57/08/57/569570857.db2.gz DHPIABYPVUYAAS-UHFFFAOYSA-N 0 0 442.544 5.562 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3Cl)nc2c1 ZINC000009846210 569571027 /nfs/dbraw/zinc/57/10/27/569571027.db2.gz SBACFZGCECQRQH-UHFFFAOYSA-N 0 0 449.963 6.146 50 0 IKAARN 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569572017 /nfs/dbraw/zinc/57/20/17/569572017.db2.gz XQQZZAWHACYSCC-UHFFFAOYSA-N 0 0 446.392 7.454 50 0 IKAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009861909 569572019 /nfs/dbraw/zinc/57/20/19/569572019.db2.gz YRRJTCPZEAQSSP-KRWDZBQOSA-N 0 0 425.966 6.051 50 0 IKAARN O=C(CSc1nc2ccc(Cl)cc2o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009862775 569572069 /nfs/dbraw/zinc/57/20/69/569572069.db2.gz FAXTWQRQJWHFGT-UHFFFAOYSA-N 0 0 443.981 5.589 50 0 IKAARN CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000009864893 569572086 /nfs/dbraw/zinc/57/20/86/569572086.db2.gz HRKQUEHXNMKWEZ-HSZRJFAPSA-N 0 0 426.545 5.127 50 0 IKAARN Cc1ccc(-n2c(S[C@@H](C)c3nnc(-c4cccs4)o3)nnc2N2CCCC2)cc1 ZINC000009864528 569572099 /nfs/dbraw/zinc/57/20/99/569572099.db2.gz UNJSVCJFJWOKLP-HNNXBMFYSA-N 0 0 438.582 5.141 50 0 IKAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)on1 ZINC000009864875 569572111 /nfs/dbraw/zinc/57/21/11/569572111.db2.gz PLLVBFGSLPSGCJ-UHFFFAOYSA-N 0 0 445.548 5.222 50 0 IKAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000009864880 569572129 /nfs/dbraw/zinc/57/21/29/569572129.db2.gz WCGYXJSDHHEYSZ-DEOSSOPVSA-N 0 0 438.556 5.318 50 0 IKAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000009867831 569572258 /nfs/dbraw/zinc/57/22/58/569572258.db2.gz MGIBHOQSTIRQLE-LBPRGKRZSA-N 0 0 433.327 5.261 50 0 IKAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000009867829 569572270 /nfs/dbraw/zinc/57/22/70/569572270.db2.gz MGIBHOQSTIRQLE-GFCCVEGCSA-N 0 0 433.327 5.261 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)s1 ZINC000009868228 569572324 /nfs/dbraw/zinc/57/23/24/569572324.db2.gz AQRDDGUWXVVFSQ-UHFFFAOYSA-N 0 0 449.557 5.552 50 0 IKAARN COc1cccc(-c2noc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)n2)c1 ZINC000009868807 569572355 /nfs/dbraw/zinc/57/23/55/569572355.db2.gz UZPYPTMNHDKKLV-GFCCVEGCSA-N 0 0 440.550 5.274 50 0 IKAARN Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2c1 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/nfs/dbraw/zinc/57/30/16/569573016.db2.gz STJCMDPYASVNMM-UHFFFAOYSA-N 0 0 426.472 5.613 50 0 IKAARN Cc1ccccc1NC(=O)[C@@H](C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000009892764 569573017 /nfs/dbraw/zinc/57/30/17/569573017.db2.gz OVBYRIYMGRERMW-GOSISDBHSA-N 0 0 439.523 5.106 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(I)c1 ZINC000009907365 569573100 /nfs/dbraw/zinc/57/31/00/569573100.db2.gz JNQIOQLVBFMTJZ-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN Cc1nn2c(nc(-c3ccc(OC(C)C)cc3)cc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000009906212 569573124 /nfs/dbraw/zinc/57/31/24/569573124.db2.gz QDVQBJWYXZORKS-UHFFFAOYSA-N 0 0 445.872 6.831 50 0 IKAARN COc1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)oc1ccccc12 ZINC000009905989 569573126 /nfs/dbraw/zinc/57/31/26/569573126.db2.gz MAGGTQYHMTVHKA-UHFFFAOYSA-N 0 0 444.490 7.062 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(Cl)cc2)c(C(=O)c2ccccc2Cl)cc1OC ZINC000009906267 569573137 /nfs/dbraw/zinc/57/31/37/569573137.db2.gz NEKZJCISRRMQCA-UHFFFAOYSA-N 0 0 445.302 5.886 50 0 IKAARN CC(C)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000009908164 569573148 /nfs/dbraw/zinc/57/31/48/569573148.db2.gz KLCAIKQSTXXJTF-UHFFFAOYSA-N 0 0 442.968 5.297 50 0 IKAARN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccccc2Cl)n1 ZINC000009908172 569573190 /nfs/dbraw/zinc/57/31/90/569573190.db2.gz BXSWXLVYXDHAOO-UHFFFAOYSA-N 0 0 426.954 6.224 50 0 IKAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccccc3Cl)n2)cc1 ZINC000009907541 569573196 /nfs/dbraw/zinc/57/31/96/569573196.db2.gz BDCDCKKUNIRVRH-UHFFFAOYSA-N 0 0 445.954 5.461 50 0 IKAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)C1=O ZINC000009908315 569573215 /nfs/dbraw/zinc/57/32/15/569573215.db2.gz JAFVOPMAINKVEO-HSZRJFAPSA-N 0 0 444.369 5.098 50 0 IKAARN CCCOc1ccc(OCCS[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000009911015 569573220 /nfs/dbraw/zinc/57/32/20/569573220.db2.gz VWRYQDRQMBMPRG-AWEZNQCLSA-N 0 0 428.381 5.921 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)no1 ZINC000009914547 569573371 /nfs/dbraw/zinc/57/33/71/569573371.db2.gz GFCYFFMWUVWAMW-UHFFFAOYSA-N 0 0 431.517 6.023 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009915590 569573390 /nfs/dbraw/zinc/57/33/90/569573390.db2.gz OTVVRKCODIUBFW-UHFFFAOYSA-N 0 0 427.382 5.064 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)c1 ZINC000009924810 569573562 /nfs/dbraw/zinc/57/35/62/569573562.db2.gz TZKMNALEBJWRBE-UHFFFAOYSA-N 0 0 442.544 5.176 50 0 IKAARN COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009934853 569573734 /nfs/dbraw/zinc/57/37/34/569573734.db2.gz ZSGOSLWRYWDPHZ-AFMDSPMNSA-N 0 0 446.547 5.251 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)n1nc(NCc2ccccc2)nc1NCc1ccccc1 ZINC000009933346 569573746 /nfs/dbraw/zinc/57/37/46/569573746.db2.gz HEUBEPSEQZRZKA-DTQAZKPQSA-N 0 0 443.938 5.509 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccc(F)cc1Cl ZINC000009937386 569573798 /nfs/dbraw/zinc/57/37/98/569573798.db2.gz NFOHPVZBFNPFOF-UHFFFAOYSA-N 0 0 449.334 5.325 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1cccc(Cl)c1 ZINC000009937294 569573815 /nfs/dbraw/zinc/57/38/15/569573815.db2.gz LZSVXOBKYFEEJV-UHFFFAOYSA-N 0 0 431.344 5.186 50 0 IKAARN Cc1ccccc1-n1c(=O)c2oc3ccccc3c2nc1SCc1ccc(Cl)cc1 ZINC000009939346 569573880 /nfs/dbraw/zinc/57/38/80/569573880.db2.gz DGMZGGSWHGOAIO-UHFFFAOYSA-N 0 0 432.932 6.386 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)cc3)no1)cn2Cc1ccccc1F ZINC000009941299 569573989 /nfs/dbraw/zinc/57/39/89/569573989.db2.gz GMUDLFNHNXNFJN-UHFFFAOYSA-N 0 0 439.490 5.777 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000009942214 569574019 /nfs/dbraw/zinc/57/40/19/569574019.db2.gz FQSFSTKNGGHBFU-IBGZPJMESA-N 0 0 439.972 5.198 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1ccc(C)cc1 ZINC000009942397 569574027 /nfs/dbraw/zinc/57/40/27/569574027.db2.gz SPZUONOPHVARIG-OAQYLSRUSA-N 0 0 434.565 5.039 50 0 IKAARN CSc1nc2n(n1)[C@H](c1ccccc1Cl)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000009942211 569574059 /nfs/dbraw/zinc/57/40/59/569574059.db2.gz FQSFSTKNGGHBFU-LJQANCHMSA-N 0 0 439.972 5.198 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1Cc1cccs1 ZINC000009944306 569574091 /nfs/dbraw/zinc/57/40/91/569574091.db2.gz MPCITEXGPKPRGQ-SANMLTNESA-N 0 0 438.527 6.781 50 0 IKAARN O=C(c1ccco1)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 ZINC000009948549 569574117 /nfs/dbraw/zinc/57/41/17/569574117.db2.gz LYASZEDRKBGDOJ-UHFFFAOYSA-N 0 0 442.306 5.091 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 ZINC000009949608 569574262 /nfs/dbraw/zinc/57/42/62/569574262.db2.gz QFPLWLJILPZAFC-HXUWFJFHSA-N 0 0 435.505 5.427 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1C ZINC000009949946 569574339 /nfs/dbraw/zinc/57/43/39/569574339.db2.gz APSPPQCFUJHGNC-QGZVFWFLSA-N 0 0 448.548 5.097 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000009949997 569574349 /nfs/dbraw/zinc/57/43/49/569574349.db2.gz RPJHSGIPQHPNOE-OAQYLSRUSA-N 0 0 428.941 5.598 50 0 IKAARN Clc1ccccc1OCc1nnc(SCc2cc(-c3ccccc3)on2)n1C1CC1 ZINC000009950454 569574403 /nfs/dbraw/zinc/57/44/03/569574403.db2.gz ADAXAKRTXGSJFL-UHFFFAOYSA-N 0 0 438.940 5.793 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000009951354 569574437 /nfs/dbraw/zinc/57/44/37/569574437.db2.gz WNANSBBVEMCLPA-QHCPKHFHSA-N 0 0 432.911 5.253 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nc2cc(OC)ccc2[nH]1)c1ccccc1 ZINC000009951980 569574492 /nfs/dbraw/zinc/57/44/92/569574492.db2.gz SJTXEUDMNCDBGU-QFIPXVFZSA-N 0 0 433.533 5.442 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N(c1ccccc1)C1CCCCC1 ZINC000009951472 569574499 /nfs/dbraw/zinc/57/44/99/569574499.db2.gz FRZLLRAFDSTCIB-UHFFFAOYSA-N 0 0 446.620 5.662 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Sc1nc2cc(OC)ccc2[nH]1)c1ccccc1 ZINC000009951976 569574532 /nfs/dbraw/zinc/57/45/32/569574532.db2.gz SJTXEUDMNCDBGU-JOCHJYFZSA-N 0 0 433.533 5.442 50 0 IKAARN Cc1nc(Cc2nnc(S[C@H](C(=O)c3ccc(C)cc3)c3ccc(C)cc3)o2)cs1 ZINC000009953315 569574703 /nfs/dbraw/zinc/57/47/03/569574703.db2.gz RXWFZZRVJGIUIK-QFIPXVFZSA-N 0 0 435.574 5.758 50 0 IKAARN Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)c1 ZINC000009953143 569574706 /nfs/dbraw/zinc/57/47/06/569574706.db2.gz BMZTXINAGGBRQE-GOSISDBHSA-N 0 0 445.544 5.743 50 0 IKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCc1cccc(Br)c1 ZINC000071326621 569574907 /nfs/dbraw/zinc/57/49/07/569574907.db2.gz BGXFNZYTIALKPC-UHFFFAOYSA-N 0 0 430.371 5.504 50 0 IKAARN CCOc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)cc1 ZINC000009958941 569574940 /nfs/dbraw/zinc/57/49/40/569574940.db2.gz NYLYRBVDUIDAND-UHFFFAOYSA-N 0 0 448.450 5.240 50 0 IKAARN CCOc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)cc1 ZINC000009958905 569574987 /nfs/dbraw/zinc/57/49/87/569574987.db2.gz FXXAUOREJCTXOH-UHFFFAOYSA-N 0 0 432.451 5.404 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)cc1 ZINC000009959124 569575097 /nfs/dbraw/zinc/57/50/97/569575097.db2.gz YVKMFQJVMLVYGS-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)c(OC)c1 ZINC000009959294 569575118 /nfs/dbraw/zinc/57/51/18/569575118.db2.gz ZNBLVDVZSLGNJJ-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cc(C)ccc3C)c2=O)c1 ZINC000009959554 569575149 /nfs/dbraw/zinc/57/51/49/569575149.db2.gz OJOBTAUCCGAGPY-UHFFFAOYSA-N 0 0 442.540 5.041 50 0 IKAARN Cc1ccccc1Cn1c2c3ccccc3sc2c(=O)n(-c2ccccc2Cl)c1=O ZINC000009959711 569575174 /nfs/dbraw/zinc/57/51/74/569575174.db2.gz AHODJZAWPXMIJT-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN O=c1c2sccc2nc(SCc2cccc(C(F)(F)F)c2)n1CCc1ccccc1 ZINC000071327600 569575304 /nfs/dbraw/zinc/57/53/04/569575304.db2.gz VXHZEIOEXOGIFZ-UHFFFAOYSA-N 0 0 446.519 6.012 50 0 IKAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000071327628 569575329 /nfs/dbraw/zinc/57/53/29/569575329.db2.gz LYORIGIHBJLLJV-UHFFFAOYSA-N 0 0 428.966 5.461 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(Br)cc2F)n1-c1ccccc1 ZINC000071327532 569575347 /nfs/dbraw/zinc/57/53/47/569575347.db2.gz AMTYXLQRXJLPGU-UHFFFAOYSA-N 0 0 447.354 5.641 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2Cl)cc1 ZINC000071328011 569575472 /nfs/dbraw/zinc/57/54/72/569575472.db2.gz RTVMAPGWQAWHGW-UHFFFAOYSA-N 0 0 444.000 5.828 50 0 IKAARN CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N2CCCC2)cc1 ZINC000071328079 569575476 /nfs/dbraw/zinc/57/54/76/569575476.db2.gz BKFPINJOMCACIC-UHFFFAOYSA-N 0 0 427.614 5.083 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000071328043 569575477 /nfs/dbraw/zinc/57/54/77/569575477.db2.gz PHMRUQCEOXWGJO-UHFFFAOYSA-N 0 0 437.609 5.792 50 0 IKAARN CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N[C@H](C)CC)cc1 ZINC000071328085 569575482 /nfs/dbraw/zinc/57/54/82/569575482.db2.gz VBBHINDJJVZNCX-GOSISDBHSA-N 0 0 429.630 5.375 50 0 IKAARN CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N[C@@H](C)CC)cc1 ZINC000071328084 569575490 /nfs/dbraw/zinc/57/54/90/569575490.db2.gz VBBHINDJJVZNCX-SFHVURJKSA-N 0 0 429.630 5.375 50 0 IKAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000009960978 569575497 /nfs/dbraw/zinc/57/54/97/569575497.db2.gz PSXVGNLXRKAJPN-HSZRJFAPSA-N 0 0 426.472 5.495 50 0 IKAARN CCc1ccc(NC(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)cc1 ZINC000071328227 569575545 /nfs/dbraw/zinc/57/55/45/569575545.db2.gz SWHNDWNLQRIQQY-UHFFFAOYSA-N 0 0 430.552 5.249 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1cccs1 ZINC000009962719 569575706 /nfs/dbraw/zinc/57/57/06/569575706.db2.gz LPZRBAZXDPMSEU-UHFFFAOYSA-N 0 0 446.557 5.461 50 0 IKAARN CCN(c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1)C(C)C ZINC000009963170 569575729 /nfs/dbraw/zinc/57/57/29/569575729.db2.gz HRMNQNPLURVBKL-UHFFFAOYSA-N 0 0 444.746 5.072 50 0 IKAARN CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2 ZINC000009963316 569575762 /nfs/dbraw/zinc/57/57/62/569575762.db2.gz IIYIUMUEOGJMKV-JOCHJYFZSA-N 0 0 428.601 6.660 50 0 IKAARN O=C([O-])c1c(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1F ZINC000009969029 569575939 /nfs/dbraw/zinc/57/59/39/569575939.db2.gz PGIQULDOJZYFNL-UHFFFAOYSA-N 0 0 436.914 5.513 50 0 IKAARN C[C@@H](C[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-])c1ccccc1 ZINC000009969015 569576001 /nfs/dbraw/zinc/57/60/01/569576001.db2.gz PJOXZQKOZCQTTH-SFHVURJKSA-N 0 0 432.951 5.935 50 0 IKAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2cccc(C)c2)c1 ZINC000009969734 569576089 /nfs/dbraw/zinc/57/60/89/569576089.db2.gz QLNSFIWZDABSRU-UHFFFAOYSA-N 0 0 442.559 5.562 50 0 IKAARN COc1cc(OC)c(N(C)C(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc1Cl ZINC000009970080 569576153 /nfs/dbraw/zinc/57/61/53/569576153.db2.gz JYUCIXWIEHOXME-UHFFFAOYSA-N 0 0 429.925 5.563 50 0 IKAARN CC(C)c1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc32)cc1 ZINC000009971151 569576276 /nfs/dbraw/zinc/57/62/76/569576276.db2.gz DKMWQCKBXHPCJO-UHFFFAOYSA-N 0 0 449.561 5.039 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c3ccccc3oc2c1=O ZINC000009971041 569576289 /nfs/dbraw/zinc/57/62/89/569576289.db2.gz IRRJAIXQLCERJP-UHFFFAOYSA-N 0 0 441.512 5.171 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c(C)n1Cc1ccco1 ZINC000009980209 569576420 /nfs/dbraw/zinc/57/64/20/569576420.db2.gz HKDZYKNHFOHHBC-UHFFFAOYSA-N 0 0 432.505 5.253 50 0 IKAARN COCc1c2ccccc2oc1C(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000009983065 569576562 /nfs/dbraw/zinc/57/65/62/569576562.db2.gz AXWTZEFSHVTAJQ-UHFFFAOYSA-N 0 0 441.789 5.047 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000009984181 569576690 /nfs/dbraw/zinc/57/66/90/569576690.db2.gz CNTKZGGTJCWHNG-UHFFFAOYSA-N 0 0 435.332 5.071 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COc1ccc(Br)cc1Br ZINC000009985860 569576702 /nfs/dbraw/zinc/57/67/02/569576702.db2.gz ZPKSBAHQQDIBIK-UHFFFAOYSA-N 0 0 441.163 5.354 50 0 IKAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1CC ZINC000009987324 569576770 /nfs/dbraw/zinc/57/67/70/569576770.db2.gz CSBIDQSQXKTDSB-UHFFFAOYSA-N 0 0 436.383 5.153 50 0 IKAARN Cc1ccc(Sc2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)cc1C ZINC000009986762 569576799 /nfs/dbraw/zinc/57/67/99/569576799.db2.gz MRXXRNDLXXWXQE-UHFFFAOYSA-N 0 0 429.545 5.262 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1Br ZINC000009993502 569576979 /nfs/dbraw/zinc/57/69/79/569576979.db2.gz NYYPSLGESOYBJV-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN COc1cccc(-c2nc3sc4c(c3c(=O)n2Cc2ccccc2Cl)CCCC4)c1 ZINC000010013044 569577003 /nfs/dbraw/zinc/57/70/03/569577003.db2.gz GVSLSWZJJBROSI-UHFFFAOYSA-N 0 0 436.964 5.714 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC000009994901 569577036 /nfs/dbraw/zinc/57/70/36/569577036.db2.gz OHLHRUZCMGBHRN-UHFFFAOYSA-N 0 0 436.777 6.476 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 ZINC000010014007 569577097 /nfs/dbraw/zinc/57/70/97/569577097.db2.gz PETBQIADQDWHOZ-UHFFFAOYSA-N 0 0 435.321 6.633 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc(C)c1Cl ZINC000010014008 569577099 /nfs/dbraw/zinc/57/70/99/569577099.db2.gz KGLKRUYVSXJLAJ-UHFFFAOYSA-N 0 0 448.950 6.906 50 0 IKAARN Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000010013886 569577100 /nfs/dbraw/zinc/57/71/00/569577100.db2.gz AFIAVUVVKGGQAO-GDLZYMKVSA-N 0 0 430.551 7.216 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCCC2 ZINC000010013793 569577117 /nfs/dbraw/zinc/57/71/17/569577117.db2.gz BUHXKMKJOIWRPS-UHFFFAOYSA-N 0 0 441.593 5.869 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000010013801 569577121 /nfs/dbraw/zinc/57/71/21/569577121.db2.gz JGCPKKZWKFVWQE-MUUNZHRXSA-N 0 0 432.523 6.608 50 0 IKAARN C=Cc1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2CCCCCC)cc1 ZINC000010013979 569577123 /nfs/dbraw/zinc/57/71/23/569577123.db2.gz OHJTYKPXMVOUFI-UHFFFAOYSA-N 0 0 438.567 7.805 50 0 IKAARN COc1ccc(-c2nnc(SC[C@@H](O)c3ccccc3)n2C2CCCCC2)cc1OC ZINC000010093991 569577749 /nfs/dbraw/zinc/57/77/49/569577749.db2.gz AVMMLOXFNWOKRA-HXUWFJFHSA-N 0 0 439.581 5.293 50 0 IKAARN CSc1ccc2nc(N(CCc3cccs3)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000010097895 569577753 /nfs/dbraw/zinc/57/77/53/569577753.db2.gz BOVXQNMOQAUTBL-UHFFFAOYSA-N 0 0 442.606 6.037 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000000790078 569577830 /nfs/dbraw/zinc/57/78/30/569577830.db2.gz YKTMWBPEQIBYCX-UHFFFAOYSA-N 0 0 440.528 5.139 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000010142107 569578098 /nfs/dbraw/zinc/57/80/98/569578098.db2.gz ZMDHLUQRBMDDRE-MOPGFXCFSA-N 0 0 449.620 5.130 50 0 IKAARN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000010186546 569578375 /nfs/dbraw/zinc/57/83/75/569578375.db2.gz UVRISFNMURWZDN-UHFFFAOYSA-N 0 0 441.384 5.104 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3cccs3)nc21 ZINC000010187676 569578645 /nfs/dbraw/zinc/57/86/45/569578645.db2.gz MVZWVDIXUWFZST-DHZHZOJOSA-N 0 0 437.546 5.017 50 0 IKAARN CCOc1ccc2nc(N(Cc3ccccn3)C(=O)CCSc3ccccc3)sc2c1 ZINC000010187630 569578673 /nfs/dbraw/zinc/57/86/73/569578673.db2.gz NSNCLOBYSXTSEZ-UHFFFAOYSA-N 0 0 449.601 5.806 50 0 IKAARN CCCCN(CCCC)C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000010188170 569578818 /nfs/dbraw/zinc/57/88/18/569578818.db2.gz OIHRJOKKEZYTSK-UHFFFAOYSA-N 0 0 425.960 5.141 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SC[C@H](O)c2ccccc2)n1-c1ccccc1 ZINC000010193090 569578912 /nfs/dbraw/zinc/57/89/12/569578912.db2.gz JEWQKYLOMLWXMC-QFIPXVFZSA-N 0 0 431.561 5.289 50 0 IKAARN Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000010212900 569578953 /nfs/dbraw/zinc/57/89/53/569578953.db2.gz WWSKRYJXXDLWAL-UHFFFAOYSA-N 0 0 449.300 5.793 50 0 IKAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000010225353 569579279 /nfs/dbraw/zinc/57/92/79/569579279.db2.gz XLNJHVMNMUFBDW-QFIPXVFZSA-N 0 0 441.556 5.057 50 0 IKAARN COc1cc(-c2c(NC(=O)C3CCCCC3)oc3ccccc3c2=O)cc(OC)c1OC ZINC000010232988 569579333 /nfs/dbraw/zinc/57/93/33/569579333.db2.gz STVDLLQDPDXHDJ-UHFFFAOYSA-N 0 0 437.492 5.005 50 0 biogenic IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(F)c1)N(c1nccs1)C3=O ZINC000010233033 569579396 /nfs/dbraw/zinc/57/93/96/569579396.db2.gz VNHGBYVJEMNGRX-QGZVFWFLSA-N 0 0 426.856 5.100 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(OC(C)C)c1)N(c1nccs1)C3=O ZINC000010233177 569579473 /nfs/dbraw/zinc/57/94/73/569579473.db2.gz HKQRZIZWNSWIDI-NRFANRHFSA-N 0 0 446.528 5.403 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCc2ccccc2)cc1C ZINC000010246417 569579761 /nfs/dbraw/zinc/57/97/61/569579761.db2.gz HYOAZSVYSYLXRJ-UHFFFAOYSA-N 0 0 426.516 6.263 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000010251301 569579832 /nfs/dbraw/zinc/57/98/32/569579832.db2.gz WDVVYUDYSUDGGZ-LBPRGKRZSA-N 0 0 434.348 5.369 50 0 IKAARN CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000010252627 569579893 /nfs/dbraw/zinc/57/98/93/569579893.db2.gz HFPULYLYRBZGTE-UHFFFAOYSA-N 0 0 448.569 5.062 50 0 IKAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000010253622 569579966 /nfs/dbraw/zinc/57/99/66/569579966.db2.gz PHQOINOADUCMNX-UHFFFAOYSA-N 0 0 436.558 5.398 50 0 IKAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000010253428 569579973 /nfs/dbraw/zinc/57/99/73/569579973.db2.gz RNKRTUIUSTXMAG-UHFFFAOYSA-N 0 0 436.558 5.398 50 0 IKAARN COc1ccc2cc(CNC(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)ccc2c1 ZINC000010261591 569580018 /nfs/dbraw/zinc/58/00/18/569580018.db2.gz IMKXPRJKWVINJS-QFIPXVFZSA-N 0 0 434.565 5.018 50 0 IKAARN COc1cccc(Nc2nnc(SCc3csc(-c4cccc(OC)c4)n3)s2)c1 ZINC000010267729 569580023 /nfs/dbraw/zinc/58/00/23/569580023.db2.gz XYIMVAXVSBKAPH-UHFFFAOYSA-N 0 0 442.591 5.715 50 0 IKAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000010272277 569580175 /nfs/dbraw/zinc/58/01/75/569580175.db2.gz AHQGBTJUQBJWCN-WQELVGMLSA-N 0 0 436.592 6.107 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccc(Cl)c4)no3)c(C)c2c1 ZINC000071761900 569580660 /nfs/dbraw/zinc/58/06/60/569580660.db2.gz IMDKAULUZHEBPG-UHFFFAOYSA-N 0 0 445.928 5.142 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000071768727 569580804 /nfs/dbraw/zinc/58/08/04/569580804.db2.gz CDURJXNSVDKSQU-UHFFFAOYSA-N 0 0 438.593 6.235 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3nnnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 ZINC000010336742 569581163 /nfs/dbraw/zinc/58/11/63/569581163.db2.gz SOEVTCLAOPWVQX-PMACEKPBSA-N 0 0 437.887 5.087 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 ZINC000010336748 569581164 /nfs/dbraw/zinc/58/11/64/569581164.db2.gz KTCBMXXVDGBOPP-VQTJNVASSA-N 0 0 437.887 5.087 50 0 IKAARN COc1ccc(/C=C/c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCCC1 ZINC000010381788 569581702 /nfs/dbraw/zinc/58/17/02/569581702.db2.gz UOWQXDHEFAGUNS-ACCUITESSA-N 0 0 428.579 5.040 50 0 IKAARN CC[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1C)C(=O)Nc1ccc(F)cc1 ZINC000010395552 569581861 /nfs/dbraw/zinc/58/18/61/569581861.db2.gz RNYCDENSDPVRDF-NRFANRHFSA-N 0 0 447.539 5.286 50 0 IKAARN Cc1nc2c3ccccc3nc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2n1 ZINC000071818163 569581941 /nfs/dbraw/zinc/58/19/41/569581941.db2.gz JWJFQJCBMQDZFY-NRFANRHFSA-N 0 0 443.507 5.197 50 0 IKAARN COc1cc(NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)c(OC)cc1Cl ZINC000010430884 569582033 /nfs/dbraw/zinc/58/20/33/569582033.db2.gz YNVVNNRDUDOEAD-BQYQJAHWSA-N 0 0 444.940 5.353 50 0 IKAARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000010434546 569582150 /nfs/dbraw/zinc/58/21/50/569582150.db2.gz PYUQOWJVTZAOTK-JOCHJYFZSA-N 0 0 426.545 5.689 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000071873229 569582653 /nfs/dbraw/zinc/58/26/53/569582653.db2.gz ZTRPHBVQMXOMJC-UHFFFAOYSA-N 0 0 428.457 5.341 50 0 IKAARN COC(=O)c1sc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc1C ZINC000009348290 569583807 /nfs/dbraw/zinc/58/38/07/569583807.db2.gz XUMLVOLEJLYVBJ-UHFFFAOYSA-N 0 0 435.741 5.665 50 0 IKAARN O=C(c1cccs1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 ZINC000575442929 569584096 /nfs/dbraw/zinc/58/40/96/569584096.db2.gz KHDHMHFTRCYEEI-UHFFFAOYSA-N 0 0 429.332 6.427 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(OC)cc4s3)no2)cc1OCC ZINC000013723939 569584517 /nfs/dbraw/zinc/58/45/17/569584517.db2.gz NEWQFCPOLYMWAG-UHFFFAOYSA-N 0 0 439.493 5.010 50 0 IKAARN CCc1c2cc(C)c(C)cc2oc1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000526052245 569584817 /nfs/dbraw/zinc/58/48/17/569584817.db2.gz JAHSOVYJNGLLAX-UHFFFAOYSA-N 0 0 429.904 6.175 50 0 IKAARN CCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)sc1-c1ccccc1 ZINC000585152295 569584828 /nfs/dbraw/zinc/58/48/28/569584828.db2.gz LSPYMHQBMDTPRX-UHFFFAOYSA-N 0 0 437.615 6.374 50 0 IKAARN Nc1nc(-c2ccccc2NC(=O)N2CCC(Cc3ccccc3)CC2)nc2ccccc12 ZINC000390832051 569585188 /nfs/dbraw/zinc/58/51/88/569585188.db2.gz WUZNCTYXYZPQEM-UHFFFAOYSA-N 0 0 437.547 5.366 50 0 IKAARN O=C(c1ccccc1Br)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177450 569585827 /nfs/dbraw/zinc/58/58/27/569585827.db2.gz FXTYUKWZPIVOGX-ZDUSSCGKSA-N 0 0 446.345 5.127 50 0 IKAARN O=C(C1c2ccccc2Oc2ccccc21)N(CCc1cccs1)Cc1cccnc1 ZINC000077183853 569585880 /nfs/dbraw/zinc/58/58/80/569585880.db2.gz FQIDZWKRWBZEII-UHFFFAOYSA-N 0 0 426.541 5.652 50 0 IKAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(COCc2ccc(Cl)cc2)CC1 ZINC000077191591 569585983 /nfs/dbraw/zinc/58/59/83/569585983.db2.gz BYAXEQFBXAHCJP-UHFFFAOYSA-N 0 0 427.850 5.308 50 0 IKAARN Cc1nc2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Br)cc3)cc2o1 ZINC000078265877 569586638 /nfs/dbraw/zinc/58/66/38/569586638.db2.gz GALUBUXZRSKGCG-UHFFFAOYSA-N 0 0 435.277 5.382 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(C(C)=O)cc1)[C@H]2c1ccccc1 ZINC000021045613 569587173 /nfs/dbraw/zinc/58/71/73/569587173.db2.gz IWYDHRGHVKOWIM-VWLOTQADSA-N 0 0 432.589 5.408 50 0 IKAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)c(C)c1 ZINC000033290097 569587426 /nfs/dbraw/zinc/58/74/26/569587426.db2.gz JNYUHFSULGLJMK-UHFFFAOYSA-N 0 0 449.667 5.752 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908142 569587636 /nfs/dbraw/zinc/58/76/36/569587636.db2.gz NBFWTMSLGUPOLZ-OAQYLSRUSA-N 0 0 438.861 6.404 50 0 IKAARN CCOCCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000035730673 569587743 /nfs/dbraw/zinc/58/77/43/569587743.db2.gz IOFGFTBBYSVBCA-VWLOTQADSA-N 0 0 443.547 5.240 50 0 IKAARN CCc1cccc(NC(=O)c2sc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc2C)c1 ZINC000040455551 569588128 /nfs/dbraw/zinc/58/81/28/569588128.db2.gz WUOQNYJABNFAHW-FQEVSTJZSA-N 0 0 433.577 5.286 50 0 IKAARN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003870056 574412081 /nfs/dbraw/zinc/41/20/81/574412081.db2.gz CAHGCLMLTWQZNJ-BQNIITSRSA-N 0 0 426.729 8.479 50 0 endogenous,in-man IKAARN Cc1sc2nc(SCc3nc(-c4cccs4)no3)n(CC(C)C)c(=O)c2c1C ZINC000012787021 121295643 /nfs/dbraw/zinc/29/56/43/121295643.db2.gz UHQLBIPHGIRVDT-UHFFFAOYSA-N 0 0 432.596 5.135 50 0 IKAARN Cc1oc2cc(OCc3cnn(-c4ccccc4)c3)ccc2c(=O)c1Oc1ccccc1F ZINC000000625522 193860974 /nfs/dbraw/zinc/86/09/74/193860974.db2.gz YWBWEUUNWNLWFV-UHFFFAOYSA-N 0 0 442.446 5.798 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000000635909 193865633 /nfs/dbraw/zinc/86/56/33/193865633.db2.gz BCCLDKHKGGZOJH-JWQCQUIFSA-N 0 0 438.556 5.521 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000000643988 193868792 /nfs/dbraw/zinc/86/87/92/193868792.db2.gz LQNNPQXVGGRVOV-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccncc1)C[C@H](C(C)(C)C)CC2 ZINC000000644024 193868893 /nfs/dbraw/zinc/86/88/93/193868893.db2.gz ANSSEJLJGGQVBU-GOSISDBHSA-N 0 0 447.604 6.107 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000000646951 193870412 /nfs/dbraw/zinc/87/04/12/193870412.db2.gz LJUPEZOJSBKFTP-MJGOQNOKSA-N 0 0 448.876 5.469 50 0 IKAARN COC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc(C)c1-c1ccc(OC)cc1 ZINC000000648343 193871085 /nfs/dbraw/zinc/87/10/85/193871085.db2.gz XUQIJHIYKFGSDX-UHFFFAOYSA-N 0 0 447.915 5.492 50 0 IKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1nn(CC)cc1Cl ZINC000000653998 193873686 /nfs/dbraw/zinc/87/36/86/193873686.db2.gz QMLNRZQCCJWGJL-CYBMUJFWSA-N 0 0 431.945 5.199 50 0 IKAARN CC1CCN(C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)CC1 ZINC000000653846 193873791 /nfs/dbraw/zinc/87/37/91/193873791.db2.gz SZTIENPYZOJOFM-UHFFFAOYSA-N 0 0 428.867 5.002 50 0 IKAARN CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccccc3Cl)c2)s1 ZINC000000651316 193872353 /nfs/dbraw/zinc/87/23/53/193872353.db2.gz ZUSDWTMGSIFTHJ-UHFFFAOYSA-N 0 0 428.941 5.455 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)C(Cl)(Cl)Cl)cccc12)C(Cl)(Cl)Cl ZINC000000652740 193873060 /nfs/dbraw/zinc/87/30/60/193873060.db2.gz QWVSBVPHQCMIQE-UHFFFAOYSA-N 0 0 448.948 5.457 50 0 IKAARN Cc1nn(Cc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)c(C)c1Br ZINC000000655744 193874598 /nfs/dbraw/zinc/87/45/98/193874598.db2.gz SNRZYVCLLVJEKU-UHFFFAOYSA-N 0 0 432.749 5.525 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000000659058 193875547 /nfs/dbraw/zinc/87/55/47/193875547.db2.gz PKNPIDVHGBLRBK-UHFFFAOYSA-N 0 0 440.455 5.060 50 0 IKAARN CCCCOc1ccc(-c2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000006078004 193877883 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CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002188731 132248509 /nfs/dbraw/zinc/24/85/09/132248509.db2.gz VFHMVEMCNRRLPH-NDEPHWFRSA-N 0 0 434.539 6.599 50 0 IKAARN Clc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5Cl)CC4)c23)cc1 ZINC000002197381 132248663 /nfs/dbraw/zinc/24/86/63/132248663.db2.gz XJGUTERMZXUJIB-UHFFFAOYSA-N 0 0 441.387 5.992 50 0 IKAARN Cc1cc(C)c2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CCC1CCCCC1 ZINC000002198237 132248687 /nfs/dbraw/zinc/24/86/87/132248687.db2.gz JYVIYZIUPYIFJL-UHFFFAOYSA-N 0 0 431.692 7.765 50 0 IKAARN CC1(C)CN=C(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)S1 ZINC000002199378 132248710 /nfs/dbraw/zinc/24/87/10/132248710.db2.gz PQDVHMZQUVCNOP-UHFFFAOYSA-N 0 0 444.029 5.015 50 0 IKAARN O=C(CSc1nc2ccccc2s1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000002201207 132248806 /nfs/dbraw/zinc/24/88/06/132248806.db2.gz FMDLVZUWUFDOQJ-UHFFFAOYSA-N 0 0 441.002 6.871 50 0 IKAARN Cc1nn2c(nc(C(C)C)cc2N2CCN(c3ccc(C)cc3)CC2)c1-c1ccccc1 ZINC000002212838 132249004 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C[C@@H](CNC(=O)[C@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1)c1ccccc1 ZINC000008912855 132297778 /nfs/dbraw/zinc/29/77/78/132297778.db2.gz HUBWKOCNCVKSJX-WMZOPIPTSA-N 0 0 448.567 5.120 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2)[C@@H]2C[C@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 ZINC000008926053 132298178 /nfs/dbraw/zinc/29/81/78/132298178.db2.gz XKRAANNKPJEXFV-RXFWQSSRSA-N 0 0 442.559 5.865 50 0 IKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](Nc3ccc(C)cc3)C[C@H]2C)cc1OC ZINC000008997067 132300256 /nfs/dbraw/zinc/30/02/56/132300256.db2.gz HWMNAYBHNOGHIA-AUSIDOKSSA-N 0 0 430.548 5.913 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(N2CCCC[C@H]2C)n1)CCC4 ZINC000009013597 132300885 /nfs/dbraw/zinc/30/08/85/132300885.db2.gz IFUPROQWCSHHBO-CYBMUJFWSA-N 0 0 436.606 6.089 50 0 IKAARN CCC1=NN(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccccc2)c2ccccc21 ZINC000009087204 132302158 /nfs/dbraw/zinc/30/21/58/132302158.db2.gz SUVCFNMHHDLBDH-VWLOTQADSA-N 0 0 442.544 5.171 50 0 IKAARN CC(C)c1ccc(NC(=O)CCCN2c3ncccc3O[C@H](c3ccccc3)C2=O)cc1 ZINC000009114924 132303595 /nfs/dbraw/zinc/30/35/95/132303595.db2.gz XBKJYHOVROIOLD-XMMPIXPASA-N 0 0 429.520 5.091 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3nc(-c4cccc(F)c4)n4c3CCCCC4)C[C@H]2C)c1 ZINC000009117186 132304237 /nfs/dbraw/zinc/30/42/37/132304237.db2.gz FMKJVRPIJIZLKM-HXUWFJFHSA-N 0 0 446.570 5.075 50 0 IKAARN C[C@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000009130168 132305729 /nfs/dbraw/zinc/30/57/29/132305729.db2.gz SYCJJBDJESXAPU-PGRDOPGGSA-N 0 0 442.540 6.168 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)N1c3ccccc3Sc3ccccc31)CC2 ZINC000009129536 132305744 /nfs/dbraw/zinc/30/57/44/132305744.db2.gz GQTROGJMGGUQLM-QGZVFWFLSA-N 0 0 446.572 5.452 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 ZINC000009157394 132307257 /nfs/dbraw/zinc/30/72/57/132307257.db2.gz GXZVTGJMFCLTNS-SFHVURJKSA-N 0 0 429.295 5.010 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C(=O)C2 ZINC000009198631 132308267 /nfs/dbraw/zinc/30/82/67/132308267.db2.gz 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431.561 5.117 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c(C)c1 ZINC000009569386 132321838 /nfs/dbraw/zinc/32/18/38/132321838.db2.gz LVNGQQDGAGQBMX-UHFFFAOYSA-N 0 0 440.590 5.067 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CC(=O)Nc2ccccc21 ZINC000009584993 132322355 /nfs/dbraw/zinc/32/23/55/132322355.db2.gz UHODNSXQBLXNDU-UHFFFAOYSA-N 0 0 441.512 5.086 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009588904 132322511 /nfs/dbraw/zinc/32/25/11/132322511.db2.gz BSKHTLYLRDKTCZ-UHFFFAOYSA-N 0 0 438.493 5.576 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 ZINC000009601624 132322888 /nfs/dbraw/zinc/32/28/88/132322888.db2.gz GCSGLQVENNPJRG-UHFFFAOYSA-N 0 0 437.012 5.911 50 0 IKAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009631599 132323969 /nfs/dbraw/zinc/32/39/69/132323969.db2.gz OGOPBLXSIKZYQF-UHFFFAOYSA-N 0 0 446.547 5.240 50 0 IKAARN COc1cccc2c1OC1=C(C2)C(=S)N[C@@H](c2ccc(Cl)cc2)N1c1cccc(C)c1 ZINC000009673597 132325337 /nfs/dbraw/zinc/32/53/37/132325337.db2.gz HTNLQUSNJOYMFJ-HSZRJFAPSA-N 0 0 448.975 5.940 50 0 IKAARN Fc1cccc(N2C3=C(Cc4cc(F)ccc4O3)C(=S)N[C@H]2c2ccc(Cl)cc2)c1 ZINC000009673655 132325402 /nfs/dbraw/zinc/32/54/02/132325402.db2.gz ZPYJOTSLILCGJB-OAQYLSRUSA-N 0 0 440.902 5.901 50 0 IKAARN COc1cccc2c1OC1=C(C2)C(=S)N[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000009673605 132325425 /nfs/dbraw/zinc/32/54/25/132325425.db2.gz PIURFFMVTISZHX-QFIPXVFZSA-N 0 0 436.483 5.256 50 0 IKAARN C[C@H](NC(=O)[C@H](C)[C@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O)c1ccccc1 ZINC000009692768 132325942 /nfs/dbraw/zinc/32/59/42/132325942.db2.gz HNXIQXDWQCMWNR-NXMSCROESA-N 0 0 448.563 5.347 50 0 IKAARN Cc1ccc(CNC(=O)[C@H](C)[C@H]2Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000009692826 132326134 /nfs/dbraw/zinc/32/61/34/132326134.db2.gz QMNDOCPIZMEOID-CJFMBICVSA-N 0 0 444.600 5.263 50 0 IKAARN C[C@@H](C(=O)NC1CCCCCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692844 132326139 /nfs/dbraw/zinc/32/61/39/132326139.db2.gz HRBMUNMHAGFTEW-HXOBKFHXSA-N 0 0 440.584 5.308 50 0 IKAARN Cc1cc(C)cc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009708832 132326710 /nfs/dbraw/zinc/32/67/10/132326710.db2.gz DSFYXGKNXJGOLW-UHFFFAOYSA-N 0 0 445.354 5.119 50 0 IKAARN O=C(Nc1ccccc1)C1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000009711916 132326926 /nfs/dbraw/zinc/32/69/26/132326926.db2.gz CLWICKZIPVRIKE-UHFFFAOYSA-N 0 0 432.524 5.353 50 0 IKAARN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000009780502 132328721 /nfs/dbraw/zinc/32/87/21/132328721.db2.gz DWWVXYCAPGPLNG-ICSRJNTNSA-N 0 0 444.432 5.276 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009782750 132328948 /nfs/dbraw/zinc/32/89/48/132328948.db2.gz PJISVVTYRMZXAD-HXUWFJFHSA-N 0 0 447.491 5.135 50 0 IKAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000009846262 132330000 /nfs/dbraw/zinc/33/00/00/132330000.db2.gz DUMYJAPTGUYIOU-INIZCTEOSA-N 0 0 446.016 5.634 50 0 IKAARN O=C(CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCCC3)c1ccccc1 ZINC000009860912 132330315 /nfs/dbraw/zinc/33/03/15/132330315.db2.gz HIMIPMUAMOYKRD-VWLOTQADSA-N 0 0 448.613 5.989 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C(C)=O)c3)[C@@H]2c2ccccc2)cc1 ZINC000009873102 132330658 /nfs/dbraw/zinc/33/06/58/132330658.db2.gz CZVQFGLSYQRWRW-AHWVRZQESA-N 0 0 442.515 5.021 50 0 IKAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000009892801 132331024 /nfs/dbraw/zinc/33/10/24/132331024.db2.gz RPOPYWYKJJZWIH-UHFFFAOYSA-N 0 0 435.955 5.050 50 0 IKAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NC3CCCCC3)c1)c1cc(Cl)ccc1O2 ZINC000009938421 132332461 /nfs/dbraw/zinc/33/24/61/132332461.db2.gz XHKGKAUFWUHIRQ-HYBUGGRVSA-N 0 0 439.943 5.172 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CCS2 ZINC000009963004 132332930 /nfs/dbraw/zinc/33/29/30/132332930.db2.gz NIMDDFUWSDNOSP-QHCPKHFHSA-N 0 0 449.019 6.260 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 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AVQHVTBCVOHPMR-UHFFFAOYSA-N 0 0 434.561 5.006 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc(C)cc4C)ccc32)cc1 ZINC000013583658 132351051 /nfs/dbraw/zinc/35/10/51/132351051.db2.gz WVZBJXNBQOLFAP-UHFFFAOYSA-N 0 0 434.561 5.006 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)cc1 ZINC000013583685 132351110 /nfs/dbraw/zinc/35/11/10/132351110.db2.gz GEIJIVQMMYAXPJ-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN CCC1=NN(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccccc2)c2ccccc21 ZINC000013659280 132352500 /nfs/dbraw/zinc/35/25/00/132352500.db2.gz SUVCFNMHHDLBDH-RUZDIDTESA-N 0 0 442.544 5.171 50 0 IKAARN Cn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2cc(Oc3ccccc3)ccc21 ZINC000014008829 132355754 /nfs/dbraw/zinc/35/57/54/132355754.db2.gz AHBVJOAMRJSPHZ-UHFFFAOYSA-N 0 0 429.495 5.072 50 0 IKAARN O=C(Nc1ccccc1O)C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000014139635 132356360 /nfs/dbraw/zinc/35/63/60/132356360.db2.gz VBEROSUKQQPOAQ-UHFFFAOYSA-N 0 0 448.523 5.058 50 0 IKAARN O=C(NC(=O)c1ccccc1Cl)Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000002161654 336463639 /nfs/dbraw/zinc/46/36/39/336463639.db2.gz KOFLDTGYWBGSRR-UHFFFAOYSA-N 0 0 435.694 6.401 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000000702330 517393126 /nfs/dbraw/zinc/39/31/26/517393126.db2.gz GADROJHQYVYOAG-UHFFFAOYSA-N 0 0 431.558 5.285 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1 ZINC000034714481 517636625 /nfs/dbraw/zinc/63/66/25/517636625.db2.gz PEGKSYIPLRCOPN-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN COc1ccc(C(=O)[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)c2ccccc2)cc1F ZINC000011866540 518146675 /nfs/dbraw/zinc/14/66/75/518146675.db2.gz KQCMJONRVBMLTH-SANMLTNESA-N 0 0 444.458 5.432 50 0 IKAARN CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)[C@@]4(Br)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012661047 518211569 /nfs/dbraw/zinc/21/15/69/518211569.db2.gz AYBBUNORLTWYBV-YUKGLXRHSA-N 0 0 443.441 5.697 50 0 biogenic IKAARN Brc1cccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1 ZINC000012675754 518217637 /nfs/dbraw/zinc/21/76/37/518217637.db2.gz NTKKQQLKSHBTIB-UHFFFAOYSA-N 0 0 433.400 5.669 50 0 IKAARN Brc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 ZINC000012311553 518221079 /nfs/dbraw/zinc/22/10/79/518221079.db2.gz WUIQURYJVNFTOS-UHFFFAOYSA-N 0 0 449.398 7.257 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1C ZINC000012812751 518232040 /nfs/dbraw/zinc/23/20/40/518232040.db2.gz OVZOPDWWMFAEDE-INIZCTEOSA-N 0 0 431.561 5.718 50 0 IKAARN CC(=O)c1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cs1 ZINC000012303875 518275616 /nfs/dbraw/zinc/27/56/16/518275616.db2.gz BMNMJWQPRVHAQA-UHFFFAOYSA-N 0 0 436.552 5.608 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3Sc3ccccc3)o2)cc1 ZINC000012549207 518297586 /nfs/dbraw/zinc/29/75/86/518297586.db2.gz TUVHCQIWCLPKCC-UHFFFAOYSA-N 0 0 447.943 7.206 50 0 IKAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccccc3Cl)C2)s1 ZINC000012190610 518308909 /nfs/dbraw/zinc/30/89/09/518308909.db2.gz ARTVGPJNEDFAET-OAHLLOKOSA-N 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CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000033037353 519701749 /nfs/dbraw/zinc/70/17/49/519701749.db2.gz HCPCPFZZNFPELU-UHFFFAOYSA-N 0 0 442.494 5.506 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)N[C@H](c3cccs3)C(C)C)c3ccccc3n2)cc1 ZINC000021728015 519707884 /nfs/dbraw/zinc/70/78/84/519707884.db2.gz QQAYNJHOMZAXGA-VWLOTQADSA-N 0 0 443.572 6.049 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1 ZINC000021662834 519707908 /nfs/dbraw/zinc/70/79/08/519707908.db2.gz DDHWDHXRDOEZCN-UHFFFAOYSA-N 0 0 429.907 6.074 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3cc(C)ccc3n2)cc1 ZINC000033106361 519707975 /nfs/dbraw/zinc/70/79/75/519707975.db2.gz VHAVMYLHUSFENX-UHFFFAOYSA-N 0 0 437.499 5.624 50 0 IKAARN CC(C)CN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)Nc1cccc2ccccc21 ZINC000035125777 519709830 /nfs/dbraw/zinc/70/98/30/519709830.db2.gz WZQWWMOBRLZPRQ-UHFFFAOYSA-N 0 0 448.611 5.353 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)CCCC3 ZINC000033265490 519711062 /nfs/dbraw/zinc/71/10/62/519711062.db2.gz HKYLUODLTMHDMF-JOCHJYFZSA-N 0 0 440.012 6.094 50 0 IKAARN CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 ZINC000012903111 519711450 /nfs/dbraw/zinc/71/14/50/519711450.db2.gz XVGJSDHKQNHTNZ-INIZCTEOSA-N 0 0 427.529 5.619 50 0 IKAARN CC(C)NC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000021869414 519717383 /nfs/dbraw/zinc/71/73/83/519717383.db2.gz XTEAYWLDAABISR-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN CC(C)CN(Cc1nccn1Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1 ZINC000035979933 519718586 /nfs/dbraw/zinc/71/85/86/519718586.db2.gz PKLPGUMHNKOOAR-UHFFFAOYSA-N 0 0 449.904 5.902 50 0 IKAARN CC(C)CN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1F ZINC000035979609 519718681 /nfs/dbraw/zinc/71/86/81/519718681.db2.gz OFTXJAINOOJXNQ-UHFFFAOYSA-N 0 0 434.342 5.676 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]1c1cccs1 ZINC000020904388 519719729 /nfs/dbraw/zinc/71/97/29/519719729.db2.gz YOQXCNUNVRGDMY-FCHUYYIVSA-N 0 0 440.515 5.602 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@H]1c1cccs1 ZINC000020858430 519719813 /nfs/dbraw/zinc/71/98/13/519719813.db2.gz DFMAAJACOREPDT-DNQXCXABSA-N 0 0 432.589 5.044 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000020904369 519719862 /nfs/dbraw/zinc/71/98/62/519719862.db2.gz MQRINDARNOSCCE-YADHBBJMSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 ZINC000020858425 519719879 /nfs/dbraw/zinc/71/98/79/519719879.db2.gz DFMAAJACOREPDT-RPWUZVMVSA-N 0 0 432.589 5.044 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000020904387 519719906 /nfs/dbraw/zinc/71/99/06/519719906.db2.gz YOQXCNUNVRGDMY-VXKWHMMOSA-N 0 0 440.515 5.602 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)cc1 ZINC000012535255 519722929 /nfs/dbraw/zinc/72/29/29/519722929.db2.gz AOCFWVGJOSQDAJ-UHFFFAOYSA-N 0 0 430.533 5.023 50 0 IKAARN CC(=O)Nc1ccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035446436 519727577 /nfs/dbraw/zinc/72/75/77/519727577.db2.gz FDABPJFBGHBYEX-UHFFFAOYSA-N 0 0 436.475 5.357 50 0 IKAARN CC(=O)Nc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1 ZINC000035446443 519727710 /nfs/dbraw/zinc/72/77/10/519727710.db2.gz NKGPFKYAJCGMBV-UHFFFAOYSA-N 0 0 440.438 5.188 50 0 IKAARN CC(=O)Nc1ccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)cc1 ZINC000012491449 519734404 /nfs/dbraw/zinc/73/44/04/519734404.db2.gz FYTIIWIERRXYRQ-HSZRJFAPSA-N 0 0 440.528 5.177 50 0 IKAARN CC(=O)Nc1ccc2nc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)sc2c1 ZINC000021197142 519734707 /nfs/dbraw/zinc/73/47/07/519734707.db2.gz GUXYSWQGJZKMCX-UHFFFAOYSA-N 0 0 444.875 5.263 50 0 IKAARN CC(=O)Nc1ccc2nc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)cc(C)c2c1 ZINC000021703944 519734956 /nfs/dbraw/zinc/73/49/56/519734956.db2.gz WZADSZBHTZQHPT-UHFFFAOYSA-N 0 0 436.943 5.010 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035370742 519735099 /nfs/dbraw/zinc/73/50/99/519735099.db2.gz 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CC(=O)O[C@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@@H](c2ccc(C)cc2)C1(C)C ZINC000001075115 519758079 /nfs/dbraw/zinc/75/80/79/519758079.db2.gz VFYZBKMASOPBDO-GOTSBHOMSA-N 0 0 428.960 5.282 50 0 IKAARN CC(=O)S[C@H](CC(=O)c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000001168201 519760071 /nfs/dbraw/zinc/76/00/71/519760071.db2.gz NVTRBEREWPIMKL-AREMUKBSSA-N 0 0 440.568 6.442 50 0 IKAARN CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccc(Cl)cc4)c3n2)cc1 ZINC000012630006 519778100 /nfs/dbraw/zinc/77/81/00/519778100.db2.gz AETMZSICXQWSEL-UHFFFAOYSA-N 0 0 431.845 6.523 50 0 IKAARN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000012856839 519778831 /nfs/dbraw/zinc/77/88/31/519778831.db2.gz WGZJIXKFUKJZFZ-UHFFFAOYSA-N 0 0 447.554 5.187 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000020515148 519779630 /nfs/dbraw/zinc/77/96/30/519779630.db2.gz SINXYJXNDSMRHH-PMERELPUSA-N 0 0 445.968 5.099 50 0 IKAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000037385252 519785542 /nfs/dbraw/zinc/78/55/42/519785542.db2.gz IMCIOAPKBIPYGC-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037385211 519785578 /nfs/dbraw/zinc/78/55/78/519785578.db2.gz PPHPGLYNVCZKFC-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)Oc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037385521 519785617 /nfs/dbraw/zinc/78/56/17/519785617.db2.gz QKGLQRBOWYFASB-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)Sc1ccc(C(=O)N(CCn2cccn2)c2nc3c(cccc3F)s2)cc1 ZINC000023144918 519787837 /nfs/dbraw/zinc/78/78/37/519787837.db2.gz CMWKKPZPXNVFEF-UHFFFAOYSA-N 0 0 440.569 5.479 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000035945129 519791366 /nfs/dbraw/zinc/79/13/66/519791366.db2.gz GCXVUTHPFKNPCZ-GOSISDBHSA-N 0 0 443.657 5.876 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl ZINC000012311482 519803217 /nfs/dbraw/zinc/80/32/17/519803217.db2.gz OGWPBRLXWMQHMA-KMFMINBZSA-N 0 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CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc12 ZINC000034836295 519831086 /nfs/dbraw/zinc/83/10/86/519831086.db2.gz OOVXGFNXHLPEQX-UHFFFAOYSA-N 0 0 438.955 5.596 50 0 IKAARN CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)on1 ZINC000012712484 519831636 /nfs/dbraw/zinc/83/16/36/519831636.db2.gz TYEPWOPPPYHHOZ-IBGZPJMESA-N 0 0 435.499 5.095 50 0 IKAARN CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c2cnn(C(C)C)c2n1 ZINC000024693691 519831645 /nfs/dbraw/zinc/83/16/45/519831645.db2.gz MYAOKNCRDXCSCX-KRWDZBQOSA-N 0 0 431.540 5.297 50 0 IKAARN CC(C)c1cc(C(C)C)c(Sc2c(-c3ccccc3)nc3ncccn32)c(C(C)C)c1 ZINC000012340406 519832840 /nfs/dbraw/zinc/83/28/40/519832840.db2.gz XEDHNJRQIAAGCE-UHFFFAOYSA-N 0 0 429.633 7.918 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c(C(=O)NCCC3=CCCCC3)cc3c2CCCC3=O)cc1 ZINC000033126842 519834084 /nfs/dbraw/zinc/83/40/84/519834084.db2.gz DNWRGHKPHVCEMX-UHFFFAOYSA-N 0 0 432.564 5.100 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c(C(=O)NCc3cccc(Cl)c3)cc3c2CCCC3=O)cc1 ZINC000033126760 519834098 /nfs/dbraw/zinc/83/40/98/519834098.db2.gz OHKQNXOKRLJDDF-UHFFFAOYSA-N 0 0 448.950 5.063 50 0 IKAARN CC(C)c1ccc(CNC(=O)C2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000021363570 519836080 /nfs/dbraw/zinc/83/60/80/519836080.db2.gz YKQACKIQCXWJCL-UHFFFAOYSA-N 0 0 428.536 5.032 50 0 IKAARN CC(C)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000035924490 519836402 /nfs/dbraw/zinc/83/64/02/519836402.db2.gz OLGUCNXZOSWXRA-UHFFFAOYSA-N 0 0 438.405 6.513 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)COc3ccccc3)c2)cc1 ZINC000035910444 519836609 /nfs/dbraw/zinc/83/66/09/519836609.db2.gz YKVHWJCJYZJQQN-AREMUKBSSA-N 0 0 446.572 5.606 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000035910400 519836624 /nfs/dbraw/zinc/83/66/24/519836624.db2.gz MIGRUVNWROCVEW-HHHXNRCGSA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000035910397 519836641 /nfs/dbraw/zinc/83/66/41/519836641.db2.gz NCGAAFMZGSEFOV-SANMLTNESA-N 0 0 446.572 5.606 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000033331920 519836757 /nfs/dbraw/zinc/83/67/57/519836757.db2.gz AXFRDEKCIGMRQI-KBVTYMBASA-N 0 0 447.579 5.472 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3ccccc3)c2)cc1 ZINC000035910427 519836786 /nfs/dbraw/zinc/83/67/86/519836786.db2.gz PMJNLNORLITAHR-SANMLTNESA-N 0 0 430.573 5.770 50 0 IKAARN CC(C)c1ccc(NC(=S)N=[P@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1 ZINC000012648325 519837863 /nfs/dbraw/zinc/83/78/63/519837863.db2.gz KWFDSGBKLUJAGF-GDLZYMKVSA-N 0 0 443.597 6.079 50 0 IKAARN CC(C)c1ccc([C@@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012750931 519839377 /nfs/dbraw/zinc/83/93/77/519839377.db2.gz UGKPWVXFPQOZKT-JWQCQUIFSA-N 0 0 434.605 5.151 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561642 519839720 /nfs/dbraw/zinc/83/97/20/519839720.db2.gz CZEAKZLYHQPZDX-HOFKKMOUSA-N 0 0 426.516 5.824 50 0 IKAARN CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc21 ZINC000012361778 519844263 /nfs/dbraw/zinc/84/42/63/519844263.db2.gz NFKPFGVFZQZFMQ-UHFFFAOYSA-N 0 0 443.597 6.876 50 0 IKAARN CC(C)c1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)N[C@H](C)c1ccccc1 ZINC000035987239 519847870 /nfs/dbraw/zinc/84/78/70/519847870.db2.gz DXLAQYYLNZCSRI-HXUWFJFHSA-N 0 0 437.543 6.550 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(Cc4ccc(F)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000035892805 519872389 /nfs/dbraw/zinc/87/23/89/519872389.db2.gz LZIQBJPQRRCKMC-QGZVFWFLSA-N 0 0 438.616 5.401 50 0 IKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020602953 519881480 /nfs/dbraw/zinc/88/14/80/519881480.db2.gz YBWIKNHBQMWJLS-UHFFFAOYSA-N 0 0 425.410 6.016 50 0 IKAARN CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035977568 519882098 /nfs/dbraw/zinc/88/20/98/519882098.db2.gz JSYGJRUGOLAMJJ-UHFFFAOYSA-N 0 0 447.554 6.218 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl ZINC000035980820 519883018 /nfs/dbraw/zinc/88/30/18/519883018.db2.gz NVCVKGYNJOFXEB-UHFFFAOYSA-N 0 0 440.975 5.864 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000035978446 519883081 /nfs/dbraw/zinc/88/30/81/519883081.db2.gz YIKSGZCIMBFTSW-UHFFFAOYSA-N 0 0 436.556 5.313 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000035978518 519883274 /nfs/dbraw/zinc/88/32/74/519883274.db2.gz OVSPFXHZSCIDEA-UHFFFAOYSA-N 0 0 434.540 5.066 50 0 IKAARN CCCNC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000035978835 519883354 /nfs/dbraw/zinc/88/33/54/519883354.db2.gz ABMRUCXTXNHDCL-UHFFFAOYSA-N 0 0 444.535 5.594 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(OC)c1)CCCC3 ZINC000015735531 519883926 /nfs/dbraw/zinc/88/39/26/519883926.db2.gz NCUXXIDFFQSUSZ-HSZRJFAPSA-N 0 0 435.593 5.451 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)CCCC3 ZINC000033040725 519884057 /nfs/dbraw/zinc/88/40/57/519884057.db2.gz PAYAPQNIBUQUPM-QFIPXVFZSA-N 0 0 440.012 6.096 50 0 IKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000015881512 519884214 /nfs/dbraw/zinc/88/42/14/519884214.db2.gz CSHUFSWHWAKHFE-UHFFFAOYSA-N 0 0 428.414 5.472 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(F)cc1F ZINC000023332528 519901206 /nfs/dbraw/zinc/90/12/06/519901206.db2.gz QXCNGCSIASQSRR-UHFFFAOYSA-N 0 0 434.508 5.210 50 0 IKAARN CCCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865409 519908247 /nfs/dbraw/zinc/90/82/47/519908247.db2.gz WCMWNFWYFOHTLA-IRXDYDNUSA-N 0 0 428.646 5.168 50 0 IKAARN CC(C)c1noc([C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)n1 ZINC000012528113 519910396 /nfs/dbraw/zinc/91/03/96/519910396.db2.gz KRKIDZCSAUSOJK-HNNXBMFYSA-N 0 0 439.972 5.871 50 0 IKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1 ZINC000033000625 519915032 /nfs/dbraw/zinc/91/50/32/519915032.db2.gz HHJARYHTDVVGMO-UHFFFAOYSA-N 0 0 433.986 5.809 50 0 IKAARN CCN(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000012622155 519917196 /nfs/dbraw/zinc/91/71/96/519917196.db2.gz MTMSINCKGAPPHN-UHFFFAOYSA-N 0 0 449.473 5.182 50 0 IKAARN CCN(C(=O)COc1ncnc2scc(-c3ccccc3)c21)c1cccc2ccccc21 ZINC000012653884 519919126 /nfs/dbraw/zinc/91/91/26/519919126.db2.gz MLNSIXDJZPDMMC-UHFFFAOYSA-N 0 0 439.540 5.943 50 0 IKAARN CCCCC1CCC(C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)CC1 ZINC000041077231 519919349 /nfs/dbraw/zinc/91/93/49/519919349.db2.gz GQSPUHRNHQOTBZ-UHFFFAOYSA-N 0 0 437.540 5.110 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1)c1ccccc1 ZINC000033068699 519920779 /nfs/dbraw/zinc/92/07/79/519920779.db2.gz MTHZKWDUVFBBHT-UHFFFAOYSA-N 0 0 427.573 5.674 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1)c1ccccc1 ZINC000033068803 519921096 /nfs/dbraw/zinc/92/10/96/519921096.db2.gz ZPZJDEXGJGVLHL-UHFFFAOYSA-N 0 0 431.536 5.505 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035849294 519925250 /nfs/dbraw/zinc/92/52/50/519925250.db2.gz ASQIALCMBJZBCF-QGZVFWFLSA-N 0 0 428.646 5.313 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865500 519926468 /nfs/dbraw/zinc/92/64/68/519926468.db2.gz OWEOMZZQRBGZHR-QZTJIDSGSA-N 0 0 442.673 5.559 50 0 IKAARN CC(C)n1c2ccccc2nc1SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012529158 519927495 /nfs/dbraw/zinc/92/74/95/519927495.db2.gz OBBZDJLIZZJBHE-UHFFFAOYSA-N 0 0 432.574 5.875 50 0 IKAARN CCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892219 519954092 /nfs/dbraw/zinc/95/40/92/519954092.db2.gz VMLZKDHKGJOAKS-UHFFFAOYSA-N 0 0 440.657 5.457 50 0 IKAARN CCCCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1cccc(C(F)(F)F)c1 ZINC000035889133 520084786 /nfs/dbraw/zinc/08/47/86/520084786.db2.gz QCHGXSOJACDQMK-JOCHJYFZSA-N 0 0 444.541 6.968 50 0 IKAARN CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)c(OC)c1 ZINC000035888828 520084987 /nfs/dbraw/zinc/08/49/87/520084987.db2.gz XJQVBCPNVYYTSH-QFIPXVFZSA-N 0 0 436.596 5.966 50 0 biogenic IKAARN CCCCCCOc1ccc(C(=O)NC(=S)N2CCCCCC2)cc1Br ZINC000012137502 520106623 /nfs/dbraw/zinc/10/66/23/520106623.db2.gz PPHIAWRQYFGSFT-UHFFFAOYSA-N 0 0 441.435 5.299 50 0 IKAARN CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192257 520107409 /nfs/dbraw/zinc/10/74/09/520107409.db2.gz WUEJOYYEXYZXNN-XRKRLSELSA-N 0 0 440.587 7.196 50 0 IKAARN CCCCCCOc1ccccc1-c1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000023435771 520108066 /nfs/dbraw/zinc/10/80/66/520108066.db2.gz CMGGRZKNTKSWDK-UHFFFAOYSA-N 0 0 426.560 6.629 50 0 IKAARN CCCCCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000012437322 520108450 /nfs/dbraw/zinc/10/84/50/520108450.db2.gz UFBQPOXZPJEMNZ-UHFFFAOYSA-N 0 0 444.644 6.940 50 0 IKAARN CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1cc(C)ccc1C ZINC000020508833 520113124 /nfs/dbraw/zinc/11/31/24/520113124.db2.gz WEEUVNHQHHMVRS-UHFFFAOYSA-N 0 0 426.516 5.283 50 0 IKAARN CCCCCC[C@H](C)NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000012584029 520130975 /nfs/dbraw/zinc/13/09/75/520130975.db2.gz ZBOOXSDPGRNKQI-QFIPXVFZSA-N 0 0 436.599 7.658 50 0 IKAARN CC(CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1 ZINC000012599158 520147997 /nfs/dbraw/zinc/14/79/97/520147997.db2.gz UJDLBHBKDBIVBP-JOCHJYFZSA-N 0 0 441.575 5.053 50 0 IKAARN CCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)C(C)C ZINC000016435934 520156021 /nfs/dbraw/zinc/15/60/21/520156021.db2.gz IGHNLIQEJXXSMI-UHFFFAOYSA-N 0 0 440.632 5.400 50 0 IKAARN CCCCCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012869211 520179716 /nfs/dbraw/zinc/17/97/16/520179716.db2.gz CYKREKBXJDOCIW-SIBVEZHUSA-N 0 0 449.982 5.043 50 0 biogenic IKAARN CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(F)cc1 ZINC000012062872 520242221 /nfs/dbraw/zinc/24/22/21/520242221.db2.gz AWLLYOPYFBRWDL-NTCAYCPXSA-N 0 0 430.416 5.488 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012617498 520254773 /nfs/dbraw/zinc/25/47/73/520254773.db2.gz DXUDXOSBBKSSCI-VPUSJEBWSA-N 0 0 430.523 6.637 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012194295 520258492 /nfs/dbraw/zinc/25/84/92/520258492.db2.gz DRNMZJKMURLSBL-IXCJQBJRSA-N 0 0 426.560 6.806 50 0 IKAARN CCCCCSc1nc2ccccc2n1CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000006566972 520274036 /nfs/dbraw/zinc/27/40/36/520274036.db2.gz LXGXPFFKRXUOON-UHFFFAOYSA-N 0 0 427.570 5.323 50 0 IKAARN CCCO[C@H]1CCCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 ZINC000012303732 520283710 /nfs/dbraw/zinc/28/37/10/520283710.db2.gz NYCGRDKVODAPCT-INIZCTEOSA-N 0 0 437.487 5.113 50 0 IKAARN CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1OC ZINC000027394877 520290398 /nfs/dbraw/zinc/29/03/98/520290398.db2.gz BZNVEZDNYDZVRV-LJQANCHMSA-N 0 0 448.357 5.232 50 0 IKAARN CCCOc1ccc(-c2nc(C(=O)NCc3cccc(C(F)(F)F)c3)cs2)c(F)c1 ZINC000034713599 520316881 /nfs/dbraw/zinc/31/68/81/520316881.db2.gz LOHCUZNXTNSFIN-UHFFFAOYSA-N 0 0 438.446 5.687 50 0 IKAARN CCCOc1ccc(-c2noc(Cc3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 ZINC000033298243 520318529 /nfs/dbraw/zinc/31/85/29/520318529.db2.gz FYSSYOKODMCQEB-UHFFFAOYSA-N 0 0 437.521 5.257 50 0 IKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@@H](C(=O)OCC)c3cccc(OC)c3)C2)cc1 ZINC000022652397 520324092 /nfs/dbraw/zinc/32/40/92/520324092.db2.gz OEEMFGIAEYPUOQ-GSLIJJQTSA-N 0 0 449.591 5.449 50 0 IKAARN CCCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(O)c1 ZINC000012604628 520339394 /nfs/dbraw/zinc/33/93/94/520339394.db2.gz VUCJQXVBILVOKK-UHFFFAOYSA-N 0 0 444.581 6.989 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1 ZINC000097985690 520339927 /nfs/dbraw/zinc/33/99/27/520339927.db2.gz YSJVJSKDNOCIGM-TWGQIWQCSA-N 0 0 439.430 5.172 50 0 IKAARN CCCOc1ccc(C2=Nc3cc(OC(F)(F)F)ccc3N=C(c3cccs3)N2)cc1 ZINC000020447206 520340275 /nfs/dbraw/zinc/34/02/75/520340275.db2.gz JBSRCPPXIZLJPD-UHFFFAOYSA-N 0 0 445.466 6.386 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sc(-c2ccccc2)nc1C ZINC000012484530 520353070 /nfs/dbraw/zinc/35/30/70/520353070.db2.gz LXTBRWGJZRTDHA-UHFFFAOYSA-N 0 0 448.375 5.526 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1OC ZINC000021726034 520434469 /nfs/dbraw/zinc/43/44/69/520434469.db2.gz HGXBHINJSSYUFM-MRXNPFEDSA-N 0 0 448.548 5.062 50 0 IKAARN CCCCN(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843635 520442043 /nfs/dbraw/zinc/44/20/43/520442043.db2.gz MMNCERGMCAPLTP-JOCHJYFZSA-N 0 0 438.971 5.495 50 0 IKAARN CCCCN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1c(F)cccc1F ZINC000035843638 520442531 /nfs/dbraw/zinc/44/25/31/520442531.db2.gz GCLMELAYOQEEGE-QFIPXVFZSA-N 0 0 438.971 5.495 50 0 IKAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)c2cc(C)nc3c(C)cccc23)CC1 ZINC000012440934 520459953 /nfs/dbraw/zinc/45/99/53/520459953.db2.gz IJADHNZBZATLGO-UHFFFAOYSA-N 0 0 444.575 5.270 50 0 IKAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(OC)cc2s1 ZINC000033271636 520486771 /nfs/dbraw/zinc/48/67/71/520486771.db2.gz JGOZHYOAEVQFPB-KRWDZBQOSA-N 0 0 448.548 5.062 50 0 IKAARN CCN(CC)C(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc32)n1CC ZINC000009544501 520495557 /nfs/dbraw/zinc/49/55/57/520495557.db2.gz XSJCPAKNCHYCHL-UHFFFAOYSA-N 0 0 445.592 5.141 50 0 IKAARN CC1(C)COc2c(c3c(nc2-c2ccccc2)sc2c3ncnc2NC2CCCCC2)C1 ZINC000021147154 520512873 /nfs/dbraw/zinc/51/28/73/520512873.db2.gz LZWXBCWUCLWLIB-UHFFFAOYSA-N 0 0 444.604 6.612 50 0 IKAARN CCCS(=O)(=O)N1CCC(c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc32)CC1 ZINC000021885542 520519198 /nfs/dbraw/zinc/51/91/98/520519198.db2.gz QTMGDDRXQCQKPG-UHFFFAOYSA-N 0 0 445.028 5.571 50 0 IKAARN CCO[C@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1OC)c1ccccc1 ZINC000012411222 520524698 /nfs/dbraw/zinc/52/46/98/520524698.db2.gz LRPOESZCGZJVOM-QHCPKHFHSA-N 0 0 446.572 6.300 50 0 IKAARN CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000009669751 520537994 /nfs/dbraw/zinc/53/79/94/520537994.db2.gz AQHFHIRZDHMJTR-JOCHJYFZSA-N 0 0 446.576 5.288 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000012802661 520552460 /nfs/dbraw/zinc/55/24/60/520552460.db2.gz HLMSCAFDILTRBM-VWLOTQADSA-N 0 0 449.982 5.140 50 0 IKAARN CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000012554497 520556413 /nfs/dbraw/zinc/55/64/13/520556413.db2.gz MKJFRKMDMMYJRV-CYBMUJFWSA-N 0 0 441.881 5.280 50 0 IKAARN CCN(CC)C(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1 ZINC000012888595 520559569 /nfs/dbraw/zinc/55/95/69/520559569.db2.gz WIKYZIJKYJFJFK-UHFFFAOYSA-N 0 0 427.957 5.127 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)c(OC)c2)n1 ZINC000034712546 520565095 /nfs/dbraw/zinc/56/50/95/520565095.db2.gz KNUGRAHQJVDLKK-UHFFFAOYSA-N 0 0 432.492 5.158 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)n1 ZINC000034712137 520566476 /nfs/dbraw/zinc/56/64/76/520566476.db2.gz QYSKWPMIJPDBLR-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN CCCSc1nsc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1 ZINC000012587782 520573064 /nfs/dbraw/zinc/57/30/64/520573064.db2.gz LEUBTWLGHMLZLF-UHFFFAOYSA-N 0 0 441.607 5.266 50 0 IKAARN CCOC(=O)CC(=O)C[C@@H](O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000035635601 520593315 /nfs/dbraw/zinc/59/33/15/520593315.db2.gz DPBQVLWVWXLRGW-AIGDTVQASA-N 0 0 447.506 5.205 50 0 IKAARN CCOc1cc(-c2ccc(OC(=O)c3ccncc3)c(OC)c2)cc(=O)c2c(C)oc(C)c21 ZINC000021149248 520611316 /nfs/dbraw/zinc/61/13/16/520611316.db2.gz DMEWOCCVMLLGFH-UHFFFAOYSA-N 0 0 445.471 5.098 50 0 IKAARN CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c21 ZINC000012658994 520611675 /nfs/dbraw/zinc/61/16/75/520611675.db2.gz IFGFVDGQICFPTJ-XLVZBRSZSA-N 0 0 443.612 7.686 50 0 biogenic IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc21 ZINC000033129197 520613858 /nfs/dbraw/zinc/61/38/58/520613858.db2.gz CDUCGSMKWOQCGJ-UHFFFAOYSA-N 0 0 435.886 6.737 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc21 ZINC000032986491 520614723 /nfs/dbraw/zinc/61/47/23/520614723.db2.gz WKRRUGNMFKDQQC-UHFFFAOYSA-N 0 0 446.934 6.523 50 0 IKAARN CCCCNC(=O)N(CCCC)CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1 ZINC000035805100 520632257 /nfs/dbraw/zinc/63/22/57/520632257.db2.gz JRCRGZXVYKMNLR-UHFFFAOYSA-N 0 0 429.630 5.197 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc(Br)c1OC ZINC000012549099 520667426 /nfs/dbraw/zinc/66/74/26/520667426.db2.gz QSTXOSMNFJJYEM-UHFFFAOYSA-N 0 0 434.208 5.007 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1OC(F)F ZINC000014583192 520668059 /nfs/dbraw/zinc/66/80/59/520668059.db2.gz HXBADGXRIADWGK-UHFFFAOYSA-N 0 0 429.448 5.315 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(Br)cc2Cl)cc(OCC)c1OCC ZINC000012411429 520668108 /nfs/dbraw/zinc/66/81/08/520668108.db2.gz QBELKWBEYCCTFH-UHFFFAOYSA-N 0 0 442.737 5.551 50 0 IKAARN CCCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2F)cc1 ZINC000015679812 520684016 /nfs/dbraw/zinc/68/40/16/520684016.db2.gz SDHNYYGBDTZDSJ-UHFFFAOYSA-N 0 0 448.567 5.441 50 0 IKAARN CCCCNc1nnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 ZINC000012902338 520700858 /nfs/dbraw/zinc/70/08/58/520700858.db2.gz OVCPJHDBCUFKTO-UHFFFAOYSA-N 0 0 426.611 5.090 50 0 IKAARN CCC[C@@H](NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccccc1 ZINC000012764071 520736949 /nfs/dbraw/zinc/73/69/49/520736949.db2.gz XSMIMPIAGOJMEZ-HXUWFJFHSA-N 0 0 431.561 5.091 50 0 IKAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(SCCC(=O)Nc2ccccc2F)n1 ZINC000012910857 520762828 /nfs/dbraw/zinc/76/28/28/520762828.db2.gz QMBLWEMFIIIZPS-UHFFFAOYSA-N 0 0 446.617 5.410 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc(C)c(C)c3C(=O)N2)ccc1OC(=O)c1ccc(C)cc1 ZINC000016185154 520779052 /nfs/dbraw/zinc/77/90/52/520779052.db2.gz HHHHBJZFEWIROB-NRFANRHFSA-N 0 0 436.533 5.145 50 0 IKAARN CCOc1cc([C@H]2Nc3sc(C)c(C)c3C(=O)N2)ccc1OC(=O)c1ccc(C)cc1 ZINC000016185152 520784782 /nfs/dbraw/zinc/78/47/82/520784782.db2.gz HHHHBJZFEWIROB-OAQYLSRUSA-N 0 0 436.533 5.145 50 0 IKAARN CCOc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)ccc1O ZINC000021788150 520786237 /nfs/dbraw/zinc/78/62/37/520786237.db2.gz RLRLZFRUHIWHQP-OAQYLSRUSA-N 0 0 443.956 5.022 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)C(=O)C2 ZINC000020446210 520798614 /nfs/dbraw/zinc/79/86/14/520798614.db2.gz XJSOFXOIBTWKSE-HHHXNRCGSA-N 0 0 449.978 6.433 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000020446220 520799435 /nfs/dbraw/zinc/79/94/35/520799435.db2.gz AVBARTAXUMAFTE-SANMLTNESA-N 0 0 435.495 5.310 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(Cl)c1)N(c1ccc(CC)cc1)C(=O)C2 ZINC000020446098 520799914 /nfs/dbraw/zinc/79/99/14/520799914.db2.gz ZZPQZYJCZOMRBJ-MHZLTWQESA-N 0 0 449.978 6.379 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 ZINC000012617798 520806885 /nfs/dbraw/zinc/80/68/85/520806885.db2.gz SZEABVCPVGDZES-INIZCTEOSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2ccc(SCC(=O)Nc3nc4ccc(C)cc4s3)nn2)cc1 ZINC000012140471 520810697 /nfs/dbraw/zinc/81/06/97/520810697.db2.gz MJIXEVYIKOKNQJ-UHFFFAOYSA-N 0 0 436.562 5.191 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 ZINC000012619115 520811151 /nfs/dbraw/zinc/81/11/51/520811151.db2.gz IUERIXRLCKQYKZ-MRXNPFEDSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000012140464 520811283 /nfs/dbraw/zinc/81/12/83/520811283.db2.gz BXDVUHGLENCZMZ-UHFFFAOYSA-N 0 0 433.455 5.292 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000012619182 520811311 /nfs/dbraw/zinc/81/13/11/520811311.db2.gz DVIPWRFCRIISGI-INIZCTEOSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1 ZINC000023458952 520811340 /nfs/dbraw/zinc/81/13/40/520811340.db2.gz BWRADUYKADAWBK-UHFFFAOYSA-N 0 0 427.569 6.656 50 0 IKAARN CCC[C@@H](Sc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1)C(=O)OCC ZINC000035848277 520812051 /nfs/dbraw/zinc/81/20/51/520812051.db2.gz WEHVTXMFNQLYDW-MRXNPFEDSA-N 0 0 440.352 5.658 50 0 IKAARN CCOc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)ccc3OC)cs2)cc1 ZINC000012927897 520817727 /nfs/dbraw/zinc/81/77/27/520817727.db2.gz OXYGWPLVOBORSW-UHFFFAOYSA-N 0 0 448.997 5.743 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nnc(-c4ccc(OC)cc4)n3C)cs2)cc1 ZINC000012885181 520819654 /nfs/dbraw/zinc/81/96/54/520819654.db2.gz PENYFZQNBHPFGA-UHFFFAOYSA-N 0 0 438.578 5.305 50 0 IKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000012416508 520819742 /nfs/dbraw/zinc/81/97/42/520819742.db2.gz DGQZXZWNTVVIED-RUZDIDTESA-N 0 0 448.563 5.550 50 0 IKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000012416505 520820236 /nfs/dbraw/zinc/82/02/36/520820236.db2.gz DGQZXZWNTVVIED-VWLOTQADSA-N 0 0 448.563 5.550 50 0 IKAARN CCOc1ccc(-c2nc(C[S@@](=O)Cc3ccc(C(C)(C)C)cc3)cs2)cc1OC ZINC000058157981 520820610 /nfs/dbraw/zinc/82/06/10/520820610.db2.gz JIYUHDFTQNTZDO-SSEXGKCCSA-N 0 0 443.634 5.964 50 0 IKAARN CCOc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000020808025 520823706 /nfs/dbraw/zinc/82/37/06/520823706.db2.gz BRNFAGOAUKYFPT-UHFFFAOYSA-N 0 0 449.963 5.961 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c3c2cnc2ccccc32)cc1 ZINC000020996447 520823796 /nfs/dbraw/zinc/82/37/96/520823796.db2.gz PWWZIHSVXAZWIC-UHFFFAOYSA-N 0 0 436.515 5.597 50 0 IKAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Br)cc3)o2)cc1 ZINC000012803550 520823915 /nfs/dbraw/zinc/82/39/15/520823915.db2.gz DTSBYAVXOLVHJE-LBPRGKRZSA-N 0 0 433.327 5.261 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3)c3c2cnc2ccccc32)cc1 ZINC000020996478 520824042 /nfs/dbraw/zinc/82/40/42/520824042.db2.gz OURGFXIZIYNMEL-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN CCOc1ccc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)cc1 ZINC000021730645 520824683 /nfs/dbraw/zinc/82/46/83/520824683.db2.gz HYELWUDDDFPRNU-UHFFFAOYSA-N 0 0 427.529 6.630 50 0 IKAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Br)cc3)o2)cc1 ZINC000012803555 520825119 /nfs/dbraw/zinc/82/51/19/520825119.db2.gz DTSBYAVXOLVHJE-GFCCVEGCSA-N 0 0 433.327 5.261 50 0 IKAARN CC1=Nc2ncnn2[C@@H](c2cccc(Cl)c2)C1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252517512 520826754 /nfs/dbraw/zinc/82/67/54/520826754.db2.gz KJUBZHQUJNPING-WBHLOVLFSA-N 0 0 428.964 5.224 50 0 IKAARN CC1=Nc2ncnn2[C@@H](c2cccc(Cl)c2)C1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000252517511 520827530 /nfs/dbraw/zinc/82/75/30/520827530.db2.gz KJUBZHQUJNPING-RIYQWJRFSA-N 0 0 428.964 5.224 50 0 IKAARN CCCCOc1ccc(C(=O)NC[C@H](Cc2ccccc2)c2ccc(OC)c(OC)c2)cc1 ZINC000012410716 520868836 /nfs/dbraw/zinc/86/88/36/520868836.db2.gz QEDQQQNPVPACDE-DEOSSOPVSA-N 0 0 447.575 5.639 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCC)cc1Br ZINC000012137492 520870929 /nfs/dbraw/zinc/87/09/29/520870929.db2.gz ZFEZMEGPKATSQO-UHFFFAOYSA-N 0 0 433.346 5.020 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000021794231 520872176 /nfs/dbraw/zinc/87/21/76/520872176.db2.gz DYZZMANHINHTAA-UHFFFAOYSA-N 0 0 445.567 5.560 50 0 IKAARN CCN(CC)c1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2CC)cc1 ZINC000012590799 520877763 /nfs/dbraw/zinc/87/77/63/520877763.db2.gz MHUPKJCKRAGJOB-UHFFFAOYSA-N 0 0 427.643 5.024 50 0 IKAARN CCCCOc1ccc(NC(=O)CSCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000012858962 520885301 /nfs/dbraw/zinc/88/53/01/520885301.db2.gz FBAXVQJYNZATJE-UHFFFAOYSA-N 0 0 433.573 6.087 50 0 IKAARN CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000022503229 520887368 /nfs/dbraw/zinc/88/73/68/520887368.db2.gz KOSZNPRRXYVVQZ-UHFFFAOYSA-N 0 0 443.547 6.103 50 0 IKAARN CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000022504584 520887694 /nfs/dbraw/zinc/88/76/94/520887694.db2.gz AZBRPRJVKQPVOO-UHFFFAOYSA-N 0 0 449.576 6.164 50 0 IKAARN CCOc1ccc(C(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1OCC ZINC000012680206 520892358 /nfs/dbraw/zinc/89/23/58/520892358.db2.gz JETYQRWADLHQRU-DEOSSOPVSA-N 0 0 429.944 5.248 50 0 IKAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(C)cc2)cc1 ZINC000020680580 520894114 /nfs/dbraw/zinc/89/41/14/520894114.db2.gz HEBIRSIDRYKICL-HHHXNRCGSA-N 0 0 448.607 5.419 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OC ZINC000012062900 520895451 /nfs/dbraw/zinc/89/54/51/520895451.db2.gz FYUGESLOHBVHLD-HSZRJFAPSA-N 0 0 435.520 5.244 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C(C)C)cc1 ZINC000021889761 520904047 /nfs/dbraw/zinc/90/40/47/520904047.db2.gz QRUGFMZGXXIZGJ-VWLOTQADSA-N 0 0 431.536 5.328 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cc(Cl)ccc2Cl)cc1 ZINC000023336077 520916849 /nfs/dbraw/zinc/91/68/49/520916849.db2.gz ZLXXYZVTOODECB-UHFFFAOYSA-N 0 0 432.351 6.128 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1OCC ZINC000012412125 520918977 /nfs/dbraw/zinc/91/89/77/520918977.db2.gz FEGQCHAFQXEYSD-UHFFFAOYSA-N 0 0 429.476 5.453 50 0 IKAARN CCN(CC)c1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2cc(OC)ccc2OC)c(C)c1 ZINC000021105806 520920122 /nfs/dbraw/zinc/92/01/22/520920122.db2.gz PBQCBRDZTCRYFW-VWLOTQADSA-N 0 0 446.551 5.025 50 0 IKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(C(C)(C)C)cc1)cc2C(F)(F)F ZINC000020605803 520920310 /nfs/dbraw/zinc/92/03/10/520920310.db2.gz NQKUCIVOLXVQQL-UHFFFAOYSA-N 0 0 445.485 5.855 50 0 IKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F ZINC000020604539 520920633 /nfs/dbraw/zinc/92/06/33/520920633.db2.gz VYSNKEPDKLRAMA-UHFFFAOYSA-N 0 0 439.437 5.711 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)c(C)c1 ZINC000021914246 520920819 /nfs/dbraw/zinc/92/08/19/520920819.db2.gz OXWZEMOBUKDUKB-UHFFFAOYSA-N 0 0 445.542 5.559 50 0 IKAARN CCN(CC)c1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892813 520921587 /nfs/dbraw/zinc/92/15/87/520921587.db2.gz KBYSFPGSCYPKLK-QFIPXVFZSA-N 0 0 441.000 5.455 50 0 IKAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCc1c(C)[nH]c2c1cccc2Cl ZINC000012412248 520928726 /nfs/dbraw/zinc/92/87/26/520928726.db2.gz IEHVEIMGLXOGDQ-UHFFFAOYSA-N 0 0 434.989 5.173 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000012195855 520929274 /nfs/dbraw/zinc/92/92/74/520929274.db2.gz REHWOVJLBUKDGQ-AHWVRZQESA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(F)c2)cc1 ZINC000012195949 520929755 /nfs/dbraw/zinc/92/97/55/520929755.db2.gz RQZYOSJDZGDWNG-JYFHCDHNSA-N 0 0 432.495 5.865 50 0 IKAARN CCOc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccccc3F)C2)cc1 ZINC000022341252 520929984 /nfs/dbraw/zinc/92/99/84/520929984.db2.gz MRIWXMJKDKHGKE-QFIPXVFZSA-N 0 0 429.322 6.887 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000012195861 520930814 /nfs/dbraw/zinc/93/08/14/520930814.db2.gz REHWOVJLBUKDGQ-AZGAKELHSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000012196578 520930825 /nfs/dbraw/zinc/93/08/25/520930825.db2.gz MYBLUZCEHSODIU-WIOPSUGQSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012195840 520930897 /nfs/dbraw/zinc/93/08/97/520930897.db2.gz PHNVJAWZPXECER-ILBGXUMGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2OCC)cc1 ZINC000012195847 520930957 /nfs/dbraw/zinc/93/09/57/520930957.db2.gz RMTZPAIRHOQBCJ-JYFHCDHNSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000012195943 520931909 /nfs/dbraw/zinc/93/19/09/520931909.db2.gz YJZAGXVKNCQZCB-ZEQKJWHPSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccccc2Cl)cc1 ZINC000020738393 520932018 /nfs/dbraw/zinc/93/20/18/520932018.db2.gz KMDUMDDOSHVINV-ZEQKJWHPSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(F)c2)cc1 ZINC000012195956 520932569 /nfs/dbraw/zinc/93/25/69/520932569.db2.gz RQZYOSJDZGDWNG-ZEQKJWHPSA-N 0 0 432.495 5.865 50 0 IKAARN CCOc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1OCC ZINC000000720078 520939370 /nfs/dbraw/zinc/93/93/70/520939370.db2.gz NBHIGUFXLWJDBU-UHFFFAOYSA-N 0 0 443.499 5.642 50 0 IKAARN CC1CCC(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)CC1 ZINC000021809850 520941252 /nfs/dbraw/zinc/94/12/52/520941252.db2.gz WQQIGBSTXBMMPH-WKBCRJLYSA-N 0 0 441.641 5.335 50 0 IKAARN CCCCSC1=N/C(=C/c2ccc(CC)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020152144 520942791 /nfs/dbraw/zinc/94/27/91/520942791.db2.gz MVRJKYXPRHMULZ-XSFVSMFZSA-N 0 0 428.985 6.188 50 0 IKAARN CC1CCC(NC(=O)C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000021162007 520945716 /nfs/dbraw/zinc/94/57/16/520945716.db2.gz JOLWYYCZGBTZTR-UHFFFAOYSA-N 0 0 448.586 5.135 50 0 IKAARN CCOc1ccc(CN(CC)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1OC ZINC000022474721 520964938 /nfs/dbraw/zinc/96/49/38/520964938.db2.gz VNVHVRGRXHXWOU-UHFFFAOYSA-N 0 0 444.881 5.227 50 0 IKAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000020152326 520965642 /nfs/dbraw/zinc/96/56/42/520965642.db2.gz DBNOPCVCSMRVEL-UHFFFAOYSA-N 0 0 431.388 6.172 50 0 IKAARN CC1CCN(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2Cc2ccccc2)CC1 ZINC000020193783 520978487 /nfs/dbraw/zinc/97/84/87/520978487.db2.gz GLQSXGJFYNDSAC-UHFFFAOYSA-N 0 0 446.576 5.090 50 0 IKAARN CC1CCN(C(=O)CSc2nc3ccc(NC(=O)C4CCCCC4)cc3s2)CC1 ZINC000033000295 520979707 /nfs/dbraw/zinc/97/97/07/520979707.db2.gz XWKVLJDREKWCKO-UHFFFAOYSA-N 0 0 431.627 5.166 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997118 520980164 /nfs/dbraw/zinc/98/01/64/520980164.db2.gz KGXSMAPVMNCKDY-HSZRJFAPSA-N 0 0 434.565 5.573 50 0 IKAARN CC1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000035891763 520981617 /nfs/dbraw/zinc/98/16/17/520981617.db2.gz WRUBRSUFZXPCMK-NRFANRHFSA-N 0 0 428.498 5.978 50 0 IKAARN CC1CCN(C(=O)c2ccc(Oc3ccc(NC(=O)CCC4CCCC4)cn3)cc2)CC1 ZINC000033281385 520990798 /nfs/dbraw/zinc/99/07/98/520990798.db2.gz QZAGWNMSYUZBSJ-UHFFFAOYSA-N 0 0 435.568 5.655 50 0 IKAARN CC1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(Cl)cc5)CC4)c3c2)CC1 ZINC000035512260 520990951 /nfs/dbraw/zinc/99/09/51/520990951.db2.gz DXXKUVUJOOUCBV-UHFFFAOYSA-N 0 0 448.998 5.087 50 0 IKAARN CCC[C@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccc(OC)cc2)c1 ZINC000023428798 521008299 /nfs/dbraw/zinc/00/82/99/521008299.db2.gz CBMAEFZGRKQDEM-KRWDZBQOSA-N 0 0 435.524 5.099 50 0 IKAARN CCCC[C@@H](CC)C(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921362 521013819 /nfs/dbraw/zinc/01/38/19/521013819.db2.gz OJCZDPRUDRHZRL-LJQANCHMSA-N 0 0 447.572 5.301 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 ZINC000022668412 521017150 /nfs/dbraw/zinc/01/71/50/521017150.db2.gz YBZUIMQQNZUSAA-IQGLISFBSA-N 0 0 425.569 5.403 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000022670538 521018525 /nfs/dbraw/zinc/01/85/25/521018525.db2.gz WWVWOMROUWDYJT-OSPHWJPCSA-N 0 0 429.988 6.048 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927493 521019076 /nfs/dbraw/zinc/01/90/76/521019076.db2.gz ZFCMMLHFWVPJAI-BCHFMIIMSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925197 521020166 /nfs/dbraw/zinc/02/01/66/521020166.db2.gz NFJQYVDJHBURQH-WXTAPIANSA-N 0 0 436.621 6.109 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000035924921 521021003 /nfs/dbraw/zinc/02/10/03/521021003.db2.gz MTJLIPFGPLOVJS-CJAUYULYSA-N 0 0 440.609 6.019 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1C(C)C ZINC000035927561 521022269 /nfs/dbraw/zinc/02/22/69/521022269.db2.gz SLCRYSJDINFKJM-NIYFSFCBSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2CCC)c1 ZINC000035927431 521022288 /nfs/dbraw/zinc/02/22/88/521022288.db2.gz SQUWHPRTEACBML-NIYFSFCBSA-N 0 0 438.637 6.573 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910447 521023075 /nfs/dbraw/zinc/02/30/75/521023075.db2.gz JXWBTCRJUYPZBM-BCHFMIIMSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2CCC)c1 ZINC000035927433 521023537 /nfs/dbraw/zinc/02/35/37/521023537.db2.gz SQUWHPRTEACBML-BCHFMIIMSA-N 0 0 438.637 6.573 50 0 IKAARN CCOc1ccc(N(CC)C(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000020508817 521025813 /nfs/dbraw/zinc/02/58/13/521025813.db2.gz LDIJUFQISVXMRJ-UHFFFAOYSA-N 0 0 442.515 5.065 50 0 IKAARN CCOC(=O)[C@@H](C)Sc1nnc(C2CCCCC2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035847434 521033601 /nfs/dbraw/zinc/03/36/01/521033601.db2.gz GQRKKDCGZNOSNF-GFCCVEGCSA-N 0 0 428.385 5.666 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035912139 521034225 /nfs/dbraw/zinc/03/42/25/521034225.db2.gz NFMFUJJXAZBKSG-AREMUKBSSA-N 0 0 446.572 5.435 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000035912071 521034505 /nfs/dbraw/zinc/03/45/05/521034505.db2.gz HWLQHNLAHLXOFQ-AREMUKBSSA-N 0 0 446.572 5.435 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035912079 521034768 /nfs/dbraw/zinc/03/47/68/521034768.db2.gz UQZKUGNHRLNNKM-XMMPIXPASA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000035912059 521034894 /nfs/dbraw/zinc/03/48/94/521034894.db2.gz JHZNSJPMLMTEET-RUZDIDTESA-N 0 0 448.544 5.125 50 0 IKAARN CC1CCN(S(=O)(=O)c2ccc3nc(Nc4ccc(F)c(Cl)c4)ccc3c2)CC1 ZINC000021881946 521035084 /nfs/dbraw/zinc/03/50/84/521035084.db2.gz WGELXTGVHYGDOY-UHFFFAOYSA-N 0 0 433.936 5.192 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3C)cc2)cc1 ZINC000035912066 521036618 /nfs/dbraw/zinc/03/66/18/521036618.db2.gz LDZIBYRSXDJXGX-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000035912124 521037052 /nfs/dbraw/zinc/03/70/52/521037052.db2.gz NRNQBPHINQPFIN-VWLOTQADSA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccc(NC(=O)CCNC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000041156315 521057070 /nfs/dbraw/zinc/05/70/70/521057070.db2.gz DCKNYWBNHILUPV-UHFFFAOYSA-N 0 0 439.515 5.059 50 0 IKAARN CCOc1ccc(NC(=O)CN2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000021045619 521061256 /nfs/dbraw/zinc/06/12/56/521061256.db2.gz UBLFSUQIXRJLQV-VWLOTQADSA-N 0 0 434.605 5.604 50 0 IKAARN CCN(CCNC(=O)c1ccc(/C=C2\Sc3ccccc3NC2=O)cc1)c1ccccc1 ZINC000020730005 521072640 /nfs/dbraw/zinc/07/26/40/521072640.db2.gz BJFYALDSQSAQEX-MOHJPFBDSA-N 0 0 443.572 5.028 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033035199 521084872 /nfs/dbraw/zinc/08/48/72/521084872.db2.gz UMJHGFYWKBHOMM-JOCHJYFZSA-N 0 0 449.595 5.559 50 0 IKAARN CCC(=O)N(Cc1cc2ccc(Cl)cc2nc1-c1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000012247583 521089313 /nfs/dbraw/zinc/08/93/13/521089313.db2.gz WSNJMQWWYFLMEV-JOCHJYFZSA-N 0 0 438.955 5.481 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000021879859 521089617 /nfs/dbraw/zinc/08/96/17/521089617.db2.gz DPLLWOZHHWEUDZ-RUZDIDTESA-N 0 0 429.495 5.885 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000021879971 521089945 /nfs/dbraw/zinc/08/99/45/521089945.db2.gz BNHWCFXZZYJJAF-AREMUKBSSA-N 0 0 441.531 5.755 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1 ZINC000021879738 521090525 /nfs/dbraw/zinc/09/05/25/521090525.db2.gz WGBGGWGPIAPVKL-RUZDIDTESA-N 0 0 429.495 5.885 50 0 IKAARN CCC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2nc1-c1cc(OC)ccc1OC ZINC000012152259 521091330 /nfs/dbraw/zinc/09/13/30/521091330.db2.gz QHURNIDZLBVQKO-UHFFFAOYSA-N 0 0 444.531 5.759 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000021888865 521091381 /nfs/dbraw/zinc/09/13/81/521091381.db2.gz YHGMWJCPFRDZQL-AREMUKBSSA-N 0 0 441.506 6.152 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000021363453 521097980 /nfs/dbraw/zinc/09/79/80/521097980.db2.gz WEEPAPXFDJTGLR-UHFFFAOYSA-N 0 0 427.504 6.668 50 0 IKAARN CCC[C@H](CNC(=O)CSc1nnc(CSC)o1)c1ccc(Cl)cc1Cl ZINC000022094823 521100365 /nfs/dbraw/zinc/10/03/65/521100365.db2.gz VOHPMJQFSGMBIJ-LLVKDONJSA-N 0 0 434.414 5.032 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc3nc(-c4cccc(Cl)c4)cc(OCC)c3c2)cc1 ZINC000032986603 521117517 /nfs/dbraw/zinc/11/75/17/521117517.db2.gz OKWVZOZNJVKVLF-UHFFFAOYSA-N 0 0 446.934 6.605 50 0 IKAARN CCOc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033260972 521117608 /nfs/dbraw/zinc/11/76/08/521117608.db2.gz YFGKXXYIJDHNLW-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN CCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447037 521124287 /nfs/dbraw/zinc/12/42/87/521124287.db2.gz XMOALVBFZYUAEM-JWQCQUIFSA-N 0 0 432.004 5.233 50 0 IKAARN CCC[C@H](NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1cccs1 ZINC000021915460 521142092 /nfs/dbraw/zinc/14/20/92/521142092.db2.gz JYUYKBMOBIHXJX-NRFANRHFSA-N 0 0 447.604 5.856 50 0 IKAARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC12CC3CC(CC(C3)C1)C2 ZINC000012658197 521145666 /nfs/dbraw/zinc/14/56/66/521145666.db2.gz XZSGOAINOJPZLP-FADFPCINSA-N 0 0 441.619 6.524 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000022670549 521158647 /nfs/dbraw/zinc/15/86/47/521158647.db2.gz WWVWOMROUWDYJT-BXKMTCNYSA-N 0 0 429.988 6.048 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)c1 ZINC000035928277 521162856 /nfs/dbraw/zinc/16/28/56/521162856.db2.gz PNFAOMCQEWGNPS-WNSKOXEYSA-N 0 0 432.536 5.898 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1C(C)C ZINC000035927562 521163962 /nfs/dbraw/zinc/16/39/62/521163962.db2.gz SLCRYSJDINFKJM-AFMDSPMNSA-N 0 0 438.637 6.744 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cccc(F)c1 ZINC000032997331 521167015 /nfs/dbraw/zinc/16/70/15/521167015.db2.gz NWUWIFGAVNCIDD-JOCHJYFZSA-N 0 0 438.528 5.260 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2c(C)onc2-c2cccc(Br)c2)c1 ZINC000035536454 521168461 /nfs/dbraw/zinc/16/84/61/521168461.db2.gz IBARGCHWUGGKDY-UHFFFAOYSA-N 0 0 445.313 5.462 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 ZINC000035480862 521169164 /nfs/dbraw/zinc/16/91/64/521169164.db2.gz MVJMPEABVVNMTF-UHFFFAOYSA-N 0 0 432.545 6.256 50 0 IKAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000021895105 521182371 /nfs/dbraw/zinc/18/23/71/521182371.db2.gz HXFOTXKWCLAKCF-IBGZPJMESA-N 0 0 436.895 5.596 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 ZINC000012796707 521182422 /nfs/dbraw/zinc/18/24/22/521182422.db2.gz DYCCAAFJGZOAMW-SFHVURJKSA-N 0 0 434.492 5.131 50 0 IKAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000021895103 521183219 /nfs/dbraw/zinc/18/32/19/521183219.db2.gz HXFOTXKWCLAKCF-LJQANCHMSA-N 0 0 436.895 5.596 50 0 IKAARN CCC[C@H](Sc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1)C(=O)OCC ZINC000035848274 521196328 /nfs/dbraw/zinc/19/63/28/521196328.db2.gz WEHVTXMFNQLYDW-INIZCTEOSA-N 0 0 440.352 5.658 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@H](CC)c2ccccc2)C2CCCCC2)c1 ZINC000035945115 521205522 /nfs/dbraw/zinc/20/55/22/521205522.db2.gz KOENXQYVUAIFFU-RUZDIDTESA-N 0 0 449.639 5.956 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000020724936 521216278 /nfs/dbraw/zinc/21/62/78/521216278.db2.gz QCBXPFHQRAXEPM-IEGUWTFLSA-N 0 0 434.605 6.339 50 0 IKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Br)c3)cc2C)s1 ZINC000033008294 521229639 /nfs/dbraw/zinc/22/96/39/521229639.db2.gz DGJMQCDWGZAJAM-UHFFFAOYSA-N 0 0 433.331 5.360 50 0 IKAARN CCC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(C)c(Cl)cc3OC)cc2s1 ZINC000032959468 521230363 /nfs/dbraw/zinc/23/03/63/521230363.db2.gz WYRCAOMHWSYNSQ-UHFFFAOYSA-N 0 0 431.945 5.187 50 0 IKAARN CCC(=O)Nc1nc2ccc(CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000032959453 521230626 /nfs/dbraw/zinc/23/06/26/521230626.db2.gz DHVGWNHRZTTWTO-UHFFFAOYSA-N 0 0 435.593 5.059 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012192590 521247527 /nfs/dbraw/zinc/24/75/27/521247527.db2.gz LGKFCFJNPBUVHO-NOZRDPDXSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000021715826 521248221 /nfs/dbraw/zinc/24/82/21/521248221.db2.gz QMLWOPVZACQQLY-AREMUKBSSA-N 0 0 440.499 5.083 50 0 IKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000021788424 521248255 /nfs/dbraw/zinc/24/82/55/521248255.db2.gz MQEBTYYIPRBLNF-NRFANRHFSA-N 0 0 427.957 5.316 50 0 IKAARN CCOc1ccc([C@@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000020868177 521248539 /nfs/dbraw/zinc/24/85/39/521248539.db2.gz LOXAGULBWVHIBT-RUZDIDTESA-N 0 0 443.503 5.136 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195611 521248616 /nfs/dbraw/zinc/24/86/16/521248616.db2.gz ZGCRFNMTSNYNAW-ZCYQVOJMSA-N 0 0 434.923 5.990 50 0 IKAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O ZINC000021936148 521253305 /nfs/dbraw/zinc/25/33/05/521253305.db2.gz VUHSNAVHHDKHNF-UXHICEINSA-N 0 0 448.592 5.213 50 0 IKAARN CCCCc1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(N(C)CCC)c3C2)cc1 ZINC000035525639 521268936 /nfs/dbraw/zinc/26/89/36/521268936.db2.gz UKTGYEMNUIHHMS-UHFFFAOYSA-N 0 0 442.607 5.531 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3)cc2)cc1 ZINC000035908751 521270009 /nfs/dbraw/zinc/27/00/09/521270009.db2.gz XPKKXLQFLFRMAM-AREMUKBSSA-N 0 0 430.573 6.060 50 0 IKAARN CCOc1ccc([C@H]2CCCN2C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000013128303 521272139 /nfs/dbraw/zinc/27/21/39/521272139.db2.gz QJCHGEDIRGKIJK-RUZDIDTESA-N 0 0 434.536 5.175 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012124326 521272944 /nfs/dbraw/zinc/27/29/44/521272944.db2.gz JXASTVOPELZWBD-AOYPEHQESA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195624 521274136 /nfs/dbraw/zinc/27/41/36/521274136.db2.gz ZGCRFNMTSNYNAW-ILBGXUMGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012192593 521274148 /nfs/dbraw/zinc/27/41/48/521274148.db2.gz LGKFCFJNPBUVHO-ILBGXUMGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)cc1 ZINC000012853397 521274198 /nfs/dbraw/zinc/27/41/98/521274198.db2.gz DQOLGEQQUJDMQH-HXUWFJFHSA-N 0 0 428.989 5.465 50 0 IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000021715824 521274727 /nfs/dbraw/zinc/27/47/27/521274727.db2.gz QMLWOPVZACQQLY-SANMLTNESA-N 0 0 440.499 5.083 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021889166 521276380 /nfs/dbraw/zinc/27/63/80/521276380.db2.gz XRQDTFINXDWTDS-SANMLTNESA-N 0 0 441.506 6.152 50 0 IKAARN CCOc1ccc/c(=N\c2cc(C)c(C)cc2N)c2c(C)n(-c3cccc(OC)c3)c(C)c21 ZINC000058189450 521280794 /nfs/dbraw/zinc/28/07/94/521280794.db2.gz VDYBUIPSPXRAGW-BGABXYSRSA-N 0 0 441.575 6.086 50 0 biogenic IKAARN CCCCc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3c(Cl)cccc23)cc1 ZINC000017096257 521283964 /nfs/dbraw/zinc/28/39/64/521283964.db2.gz HVJDORVLSJUSOX-UHFFFAOYSA-N 0 0 428.963 7.459 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)cc1 ZINC000032996927 521284439 /nfs/dbraw/zinc/28/44/39/521284439.db2.gz VFOWFYHSOXCIEU-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN CCCCc1nc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c[nH]1 ZINC000012300410 521294081 /nfs/dbraw/zinc/29/40/81/521294081.db2.gz GKFWGSHQEFZTLC-UHFFFAOYSA-N 0 0 446.595 5.279 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(Cl)cc3)sc2c1 ZINC000021660974 521296970 /nfs/dbraw/zinc/29/69/70/521296970.db2.gz YNBHXUNAEXJESH-MRXNPFEDSA-N 0 0 438.940 5.317 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(C)sc3C)sc2c1 ZINC000021661258 521298223 /nfs/dbraw/zinc/29/82/23/521298223.db2.gz GRBIDWOMKIKPMH-INIZCTEOSA-N 0 0 438.578 5.342 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000012530577 521307952 /nfs/dbraw/zinc/30/79/52/521307952.db2.gz YKLYNXQYPOIFTF-UHFFFAOYSA-N 0 0 433.533 5.271 50 0 IKAARN CCOc1ccc2[nH]c(S[C@H](C(=O)Nc3ccccc3OCC)c3ccccc3)nc2c1 ZINC000012546550 521308586 /nfs/dbraw/zinc/30/85/86/521308586.db2.gz FEWHMLGCQGCHDC-QHCPKHFHSA-N 0 0 447.560 5.832 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCCC4)c3c2c1 ZINC000020996540 521310120 /nfs/dbraw/zinc/31/01/20/521310120.db2.gz NZQPWFJYLGRUNV-UHFFFAOYSA-N 0 0 446.526 5.238 50 0 IKAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@@H](C)C3 ZINC000035866339 521314370 /nfs/dbraw/zinc/31/43/70/521314370.db2.gz MGJZPEOEFXBPNG-GOSISDBHSA-N 0 0 448.636 5.121 50 0 IKAARN CCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034794126 521324399 /nfs/dbraw/zinc/32/43/99/521324399.db2.gz FOBHWOATUJPXGC-UHFFFAOYSA-N 0 0 434.323 5.606 50 0 IKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1Cl)CO3 ZINC000020610457 521347911 /nfs/dbraw/zinc/34/79/11/521347911.db2.gz QDBRYCSDFHILDY-UHFFFAOYSA-N 0 0 432.347 5.755 50 0 biogenic IKAARN CCC(C)(C)[C@@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325671 521363548 /nfs/dbraw/zinc/36/35/48/521363548.db2.gz QKXVDWGCJSSAQB-LJQANCHMSA-N 0 0 447.985 7.397 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccc(OCC)cc2)C2CCCCC2)c1C ZINC000035447893 521366594 /nfs/dbraw/zinc/36/65/94/521366594.db2.gz OMMJGJZXHYEKBH-UHFFFAOYSA-N 0 0 441.572 5.574 50 0 IKAARN CCCCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccc(OC)cc1 ZINC000012551911 521372274 /nfs/dbraw/zinc/37/22/74/521372274.db2.gz XKKGZXMFIVMFEN-UHFFFAOYSA-N 0 0 427.555 5.158 50 0 IKAARN CCCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c3ccccc3oc2c1=O ZINC000009749389 521372607 /nfs/dbraw/zinc/37/26/07/521372607.db2.gz SVUXZRILRBUWOU-UHFFFAOYSA-N 0 0 435.549 5.290 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000012565882 521373240 /nfs/dbraw/zinc/37/32/40/521373240.db2.gz VONCVKHMISCWGP-HSZRJFAPSA-N 0 0 448.588 5.758 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2cccc(C)c2C)c1C ZINC000032974501 521383265 /nfs/dbraw/zinc/38/32/65/521383265.db2.gz KLOQLZOPLZPPSA-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)[C@H](C)Oc2ccccc2)c1C ZINC000015862453 521383573 /nfs/dbraw/zinc/38/35/73/521383573.db2.gz XWTRQYLIWDERGU-NRFANRHFSA-N 0 0 448.563 5.113 50 0 IKAARN CCOC(=O)c1c(CSCc2ccc(Cl)cc2)oc2c1c(F)c(F)c(F)c2F ZINC000012369027 521405904 /nfs/dbraw/zinc/40/59/04/521405904.db2.gz AVCPMZSEKMBRBB-UHFFFAOYSA-N 0 0 432.822 6.253 50 0 IKAARN CCOC(=O)c1c(C[S@](=O)c2ccc(Cl)cc2)oc2c1c(F)c(F)c(F)c2F ZINC000012369033 521407381 /nfs/dbraw/zinc/40/73/81/521407381.db2.gz MNILYEFCQBKTFN-MUUNZHRXSA-N 0 0 434.794 5.127 50 0 IKAARN CCOC(=O)c1c(NC(=O)C[C@@H](C)CC(C)(C)C)sc2c1CC[C@H](c1ccccc1)C2 ZINC000022675339 521408408 /nfs/dbraw/zinc/40/84/08/521408408.db2.gz VNRNJXCNDAVOER-MJGOQNOKSA-N 0 0 441.637 6.598 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023427821 521409330 /nfs/dbraw/zinc/40/93/30/521409330.db2.gz LMQTZPJWPRCJAS-GOSISDBHSA-N 0 0 435.545 5.215 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023442906 521410805 /nfs/dbraw/zinc/41/08/05/521410805.db2.gz BOMCINWCHMEANN-NHCUHLMSSA-N 0 0 447.600 6.330 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(OC)c2)c1 ZINC000021715700 521418186 /nfs/dbraw/zinc/41/81/86/521418186.db2.gz CLVOSYKITDDEBW-AREMUKBSSA-N 0 0 426.516 5.363 50 0 IKAARN CCCN(C(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C1=CCCCC1 ZINC000012636719 521421442 /nfs/dbraw/zinc/42/14/42/521421442.db2.gz SNDXAIZXIHVJBZ-UHFFFAOYSA-N 0 0 437.565 5.249 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCCC[C@H]3C)cc2)n1 ZINC000023439175 521422805 /nfs/dbraw/zinc/42/28/05/521422805.db2.gz OOZNDJOHDMFMDK-HXUWFJFHSA-N 0 0 445.563 5.347 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)N[C@@H](C)C(C)C)cc2)n1 ZINC000034899301 521423055 /nfs/dbraw/zinc/42/30/55/521423055.db2.gz FRRBFPTVHQAWEY-INIZCTEOSA-N 0 0 439.943 5.144 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NCc2ccccc2Cl)c1C ZINC000020761149 521424754 /nfs/dbraw/zinc/42/47/54/521424754.db2.gz ITVCZOKCOBUPGT-UHFFFAOYSA-N 0 0 442.918 5.139 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(OC)cc2)c1 ZINC000021715732 521426286 /nfs/dbraw/zinc/42/62/86/521426286.db2.gz ZDQMNLBFIRUBDK-SANMLTNESA-N 0 0 426.516 5.363 50 0 IKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000012565838 521430666 /nfs/dbraw/zinc/43/06/66/521430666.db2.gz ZANUPWGPFJWTNR-UHFFFAOYSA-N 0 0 447.597 5.136 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)Cc2cccs2)c1 ZINC000035927422 521432656 /nfs/dbraw/zinc/43/26/56/521432656.db2.gz OHBJUHMYYLMDNU-XMMPIXPASA-N 0 0 436.602 5.660 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(CC)cc2)c1 ZINC000035927463 521432685 /nfs/dbraw/zinc/43/26/85/521432685.db2.gz SVJXXRHAEJEYRE-MHZLTWQESA-N 0 0 444.600 6.232 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccs3)C[C@H]21 ZINC000012196456 521432727 /nfs/dbraw/zinc/43/27/27/521432727.db2.gz ZDVSAQCEHFPQNZ-HOYKHHGWSA-N 0 0 436.533 5.406 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000034138846 521432919 /nfs/dbraw/zinc/43/29/19/521432919.db2.gz QHLFBLZCLTWWCE-RDGATRHJSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000012196275 521432932 /nfs/dbraw/zinc/43/29/32/521432932.db2.gz YAKMPOFBWBYOOA-GBXCKJPGSA-N 0 0 432.476 5.016 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000035927438 521433237 /nfs/dbraw/zinc/43/32/37/521433237.db2.gz WDFWSBXUGGGCMJ-HHHXNRCGSA-N 0 0 444.600 5.989 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000012195674 521433723 /nfs/dbraw/zinc/43/37/23/521433723.db2.gz QHLFBLZCLTWWCE-WIOPSUGQSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000012195706 521434354 /nfs/dbraw/zinc/43/43/54/521434354.db2.gz OPMFUKIIEZRFFM-ZEQKJWHPSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000012195717 521434620 /nfs/dbraw/zinc/43/46/20/521434620.db2.gz LLKDIIOWFJDXJK-ZEQKJWHPSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000020738365 521435286 /nfs/dbraw/zinc/43/52/86/521435286.db2.gz FIGHEMPIEHXWQQ-JYFHCDHNSA-N 0 0 446.572 6.058 50 0 IKAARN CCOc1cccc2c1Oc1nc(-c3cc(Br)ccc3OC)[nH]c(=S)c1C2 ZINC000020861659 521435625 /nfs/dbraw/zinc/43/56/25/521435625.db2.gz GPIUBAPCMZIANK-UHFFFAOYSA-N 0 0 445.338 5.672 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000012195700 521435815 /nfs/dbraw/zinc/43/58/15/521435815.db2.gz OPMFUKIIEZRFFM-JYFHCDHNSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccccc1-c1nnc(SCc2cc3ccc(C)c(C)c3nc2Cl)o1 ZINC000021545925 521441068 /nfs/dbraw/zinc/44/10/68/521441068.db2.gz VWOHQXSIXNUPNZ-UHFFFAOYSA-N 0 0 425.941 6.246 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl)c1ccc(C(C)C)cc1 ZINC000020321423 521443171 /nfs/dbraw/zinc/44/31/71/521443171.db2.gz GVJPOUXATACHAT-UHFFFAOYSA-N 0 0 437.008 7.592 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000035946242 521482794 /nfs/dbraw/zinc/48/27/94/521482794.db2.gz ZNVGSUVMWJAJLO-SFHVURJKSA-N 0 0 443.657 5.876 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccc(OC2CCCCCC2)c(OC)c1)Cc1ccccn1 ZINC000012245666 521485850 /nfs/dbraw/zinc/48/58/50/521485850.db2.gz HVAHEEXHJOIOTH-UHFFFAOYSA-N 0 0 438.612 6.157 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000012451880 521486212 /nfs/dbraw/zinc/48/62/12/521486212.db2.gz XGQFVPPKYSSKJJ-UHFFFAOYSA-N 0 0 434.555 5.807 50 0 IKAARN CCOc1ccccc1CNC(=O)c1nc2ccccc2c(Nc2ccc(CC)cc2)n1 ZINC000035430080 521502111 /nfs/dbraw/zinc/50/21/11/521502111.db2.gz YPZUKRWMWXLWTO-UHFFFAOYSA-N 0 0 426.520 5.265 50 0 IKAARN CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2nc(CC(C)C)sc2n1 ZINC000020582925 521503139 /nfs/dbraw/zinc/50/31/39/521503139.db2.gz LPEDQAOSNLFNGA-UHFFFAOYSA-N 0 0 444.626 5.017 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000035924982 521514107 /nfs/dbraw/zinc/51/41/07/521514107.db2.gz JWOPLPAUCYTGKM-RUZDIDTESA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000035924975 521514272 /nfs/dbraw/zinc/51/42/72/521514272.db2.gz LJNCPYLFYLOJLK-VWLOTQADSA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000035925030 521514489 /nfs/dbraw/zinc/51/44/89/521514489.db2.gz OAXTYEQEQLLQMY-XMMPIXPASA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)Cc2ccccc2)c1 ZINC000035924988 521514770 /nfs/dbraw/zinc/51/47/70/521514770.db2.gz HOZZYARCTRCLFH-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000016474670 521517046 /nfs/dbraw/zinc/51/70/46/521517046.db2.gz UKYVQNSWVMKFRT-UHFFFAOYSA-N 0 0 427.460 5.141 50 0 IKAARN CCCN(C)c1nc(SCc2ccc(C(=O)NCc3ccccc3)cc2)nc(C)c1C ZINC000036062936 521519921 /nfs/dbraw/zinc/51/99/21/521519921.db2.gz RETYNDDQQRNCHP-UHFFFAOYSA-N 0 0 434.609 5.162 50 0 IKAARN CCCN(C)c1nc(SCc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)nc(C)c1C ZINC000036029253 521520318 /nfs/dbraw/zinc/52/03/18/521520318.db2.gz MVFVQPJTMLMEOC-HXUWFJFHSA-N 0 0 448.636 5.723 50 0 IKAARN CCOc1ccccc1NC(=O)CCCCCCCCC(=O)Nc1ccccc1OCC ZINC000014775510 521524116 /nfs/dbraw/zinc/52/41/16/521524116.db2.gz AOQSDKMOFPNBPO-UHFFFAOYSA-N 0 0 440.584 6.182 50 0 IKAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1 ZINC000035809311 521530965 /nfs/dbraw/zinc/53/09/65/521530965.db2.gz KZWSYBLREGOBAE-UHFFFAOYSA-N 0 0 432.564 5.020 50 0 IKAARN CCCN(CC(=O)N(CC)c1cccc2ccccc21)Cc1nnc(-c2cccs2)o1 ZINC000021582495 521531615 /nfs/dbraw/zinc/53/16/15/521531615.db2.gz FGFGKNXKQJBAPZ-UHFFFAOYSA-N 0 0 434.565 5.216 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C)n2Cc1cccc(F)c1 ZINC000023459587 521532557 /nfs/dbraw/zinc/53/25/57/521532557.db2.gz GCIKVHWTGCAFSA-UHFFFAOYSA-N 0 0 434.536 6.001 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1)n2CCCOC(C)C ZINC000023327199 521533088 /nfs/dbraw/zinc/53/30/88/521533088.db2.gz MTJFTJKGCCPIMH-UHFFFAOYSA-N 0 0 430.545 5.460 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1F)n2Cc1ccccn1 ZINC000023461665 521533183 /nfs/dbraw/zinc/53/31/83/521533183.db2.gz BMTGGZNSOFGZGJ-UHFFFAOYSA-N 0 0 439.487 5.227 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1F)n2Cc1ccccc1 ZINC000023460931 521533419 /nfs/dbraw/zinc/53/34/19/521533419.db2.gz OWWRZVFFAPGAEF-UHFFFAOYSA-N 0 0 438.499 5.832 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)cccc1F)n2CCCOC(C)C ZINC000023335871 521533445 /nfs/dbraw/zinc/53/34/45/521533445.db2.gz VCQPGZMZOHTUHK-UHFFFAOYSA-N 0 0 448.535 5.599 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1)n2Cc1cccc(F)c1 ZINC000023459032 521533723 /nfs/dbraw/zinc/53/37/23/521533723.db2.gz XNUAAFYJQTWALQ-UHFFFAOYSA-N 0 0 434.536 6.001 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879732 521540165 /nfs/dbraw/zinc/54/01/65/521540165.db2.gz MJUFZQNUZCTCCQ-VWLOTQADSA-N 0 0 429.495 5.885 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1cccc(CCc2nc3ccccc3n2CC)c1 ZINC000013347681 521541906 /nfs/dbraw/zinc/54/19/06/521541906.db2.gz CFXRWNZCXUAYFH-UHFFFAOYSA-N 0 0 428.536 5.884 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)co3)cc2)c1 ZINC000021363407 521542799 /nfs/dbraw/zinc/54/27/99/521542799.db2.gz QTADGDDWZFLMNY-UHFFFAOYSA-N 0 0 441.487 6.138 50 0 IKAARN CCOc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000015778692 521543067 /nfs/dbraw/zinc/54/30/67/521543067.db2.gz ZXYYAGSKYUELQV-OAQYLSRUSA-N 0 0 448.910 5.700 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)s1 ZINC000035131961 521554975 /nfs/dbraw/zinc/55/49/75/521554975.db2.gz KMXJZMZEEIXZOB-INIZCTEOSA-N 0 0 427.595 5.969 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000021882386 521555838 /nfs/dbraw/zinc/55/58/38/521555838.db2.gz HPXCZMRNLVNZDL-UHFFFAOYSA-N 0 0 442.519 5.010 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)s1 ZINC000012700319 521556663 /nfs/dbraw/zinc/55/66/63/521556663.db2.gz LGEKGBXKSFOYBW-LJQANCHMSA-N 0 0 440.594 5.136 50 0 IKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCc1cccc(F)c1F ZINC000023430671 521567715 /nfs/dbraw/zinc/56/77/15/521567715.db2.gz QLDFBBGDKZRCSW-UHFFFAOYSA-N 0 0 437.368 5.229 50 0 IKAARN CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2C)cc1O ZINC000009409761 521568669 /nfs/dbraw/zinc/56/86/69/521568669.db2.gz OXNHSUBFKLDPII-UHFFFAOYSA-N 0 0 428.488 5.928 50 0 IKAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000012412447 521580504 /nfs/dbraw/zinc/58/05/04/521580504.db2.gz NWNQOAZCDWMOGB-FBERJCFSSA-N 0 0 435.564 5.002 50 0 biogenic,in-vitro IKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)n1 ZINC000012528099 521592415 /nfs/dbraw/zinc/59/24/15/521592415.db2.gz PQURNELFEGWZMD-INIZCTEOSA-N 0 0 435.553 5.440 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc(COc3ccccc3F)n2-c2ccccc2)n1 ZINC000012528355 521592947 /nfs/dbraw/zinc/59/29/47/521592947.db2.gz KSDTUVJCTVKXPU-HNNXBMFYSA-N 0 0 439.516 5.174 50 0 IKAARN CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000013361862 521600998 /nfs/dbraw/zinc/60/09/98/521600998.db2.gz GCUYTJSVZHCBQQ-UHFFFAOYSA-N 0 0 447.491 5.199 50 0 IKAARN CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000035807352 521601458 /nfs/dbraw/zinc/60/14/58/521601458.db2.gz JEHSHUFAYRDFOW-UHFFFAOYSA-N 0 0 432.446 5.336 50 0 IKAARN CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2cccc(NC(=O)C3CCC3)c2)n1 ZINC000037396555 521601529 /nfs/dbraw/zinc/60/15/29/521601529.db2.gz LGEHUUWFRYWXCM-UHFFFAOYSA-N 0 0 430.430 5.090 50 0 IKAARN CCOc1nc(-c2ccco2)n(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000037385551 521601652 /nfs/dbraw/zinc/60/16/52/521601652.db2.gz CSXGPOAJTBOSKX-UHFFFAOYSA-N 0 0 442.397 5.197 50 0 IKAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc2c1C ZINC000021150888 521608594 /nfs/dbraw/zinc/60/85/94/521608594.db2.gz PLCLIYOYOMWYHN-LJQANCHMSA-N 0 0 447.940 5.097 50 0 IKAARN CCCc1sc(N(C(=O)c2cccc(F)c2)c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000022205941 521612972 /nfs/dbraw/zinc/61/29/72/521612972.db2.gz IBSJNATYFQACCX-UHFFFAOYSA-N 0 0 446.547 6.889 50 0 IKAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nc2ccccc2n1C(F)F ZINC000014901788 521616905 /nfs/dbraw/zinc/61/69/05/521616905.db2.gz WXYRJLXGTZFJRK-UHFFFAOYSA-N 0 0 434.899 5.497 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3c(Cl)cccc3Cl)nc(N)c2c1C ZINC000012557418 521619746 /nfs/dbraw/zinc/61/97/46/521619746.db2.gz IWEZPZAZLCADFK-UHFFFAOYSA-N 0 0 428.366 5.358 50 0 IKAARN CCCN(CC1CC1)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC ZINC000009218860 521621358 /nfs/dbraw/zinc/62/13/58/521621358.db2.gz CRHZMVPMPXDASU-QFIPXVFZSA-N 0 0 435.568 5.149 50 0 IKAARN CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1C ZINC000002645605 521622023 /nfs/dbraw/zinc/62/20/23/521622023.db2.gz YRPFHCQNURRJRT-UHFFFAOYSA-N 0 0 431.565 5.133 50 0 IKAARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000035579322 521663619 /nfs/dbraw/zinc/66/36/19/521663619.db2.gz QUUIVYJOWRJADT-GOSISDBHSA-N 0 0 430.379 5.161 50 0 IKAARN CCN1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000035579320 521663930 /nfs/dbraw/zinc/66/39/30/521663930.db2.gz QUUIVYJOWRJADT-SFHVURJKSA-N 0 0 430.379 5.161 50 0 IKAARN CCCN(C[C@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000035835864 521677061 /nfs/dbraw/zinc/67/70/61/521677061.db2.gz DFKNZPPQFUAPBM-RUZDIDTESA-N 0 0 442.559 5.259 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(=O)c1ccco1 ZINC000035980801 521678786 /nfs/dbraw/zinc/67/87/86/521678786.db2.gz LNBFGWBAPVBLJA-UHFFFAOYSA-N 0 0 433.483 5.664 50 0 IKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)NCC ZINC000035978794 521679025 /nfs/dbraw/zinc/67/90/25/521679025.db2.gz QNVXMFPSSVFKLU-UHFFFAOYSA-N 0 0 438.547 5.869 50 0 IKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)C1CCC1 ZINC000035977692 521679095 /nfs/dbraw/zinc/67/90/95/521679095.db2.gz MRPZWNUDUHFSFJ-UHFFFAOYSA-N 0 0 449.570 6.466 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000035980161 521679175 /nfs/dbraw/zinc/67/91/75/521679175.db2.gz BETDWNWVXBMCQI-UHFFFAOYSA-N 0 0 449.938 6.272 50 0 IKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000041078102 521680234 /nfs/dbraw/zinc/68/02/34/521680234.db2.gz CCSPMOGODWBGQY-UHFFFAOYSA-N 0 0 431.458 5.608 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000035944577 521681290 /nfs/dbraw/zinc/68/12/90/521681290.db2.gz BFIDWMPJRMQXPT-UHFFFAOYSA-N 0 0 447.554 5.505 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000020578178 521695171 /nfs/dbraw/zinc/69/51/71/521695171.db2.gz XFKCUMYZBYRFGZ-UHFFFAOYSA-N 0 0 444.963 5.458 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000021582626 521696193 /nfs/dbraw/zinc/69/61/93/521696193.db2.gz XFLYUPSQGDARPN-UHFFFAOYSA-N 0 0 427.961 5.358 50 0 IKAARN CCOCCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000020938911 521711774 /nfs/dbraw/zinc/71/17/74/521711774.db2.gz BAIOVOTWDFPIPV-JOCHJYFZSA-N 0 0 429.923 5.044 50 0 IKAARN CCOCCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000020938906 521711954 /nfs/dbraw/zinc/71/19/54/521711954.db2.gz BAIOVOTWDFPIPV-QFIPXVFZSA-N 0 0 429.923 5.044 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000021101120 521730379 /nfs/dbraw/zinc/73/03/79/521730379.db2.gz MCCNNDWJYGKCAM-UHFFFAOYSA-N 0 0 436.506 5.427 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000021101115 521730462 /nfs/dbraw/zinc/73/04/62/521730462.db2.gz GTKKZQTUINERPU-UHFFFAOYSA-N 0 0 432.543 5.596 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000021100982 521730487 /nfs/dbraw/zinc/73/04/87/521730487.db2.gz LXPNRCBIWJNIAX-UHFFFAOYSA-N 0 0 428.580 5.766 50 0 biogenic IKAARN CCNC(=O)N(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000035978557 521739483 /nfs/dbraw/zinc/73/94/83/521739483.db2.gz NHPWICKQFRUENM-UHFFFAOYSA-N 0 0 444.535 5.606 50 0 IKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C1CC1 ZINC000035980286 521739490 /nfs/dbraw/zinc/73/94/90/521739490.db2.gz QAVMDKFAEOFLPO-UHFFFAOYSA-N 0 0 440.494 5.199 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@H](C)CC ZINC000035978422 521739513 /nfs/dbraw/zinc/73/95/13/521739513.db2.gz SBXKCEQWFBIAER-GOSISDBHSA-N 0 0 436.556 5.312 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@H](CC)c2ccccc2)[C@@H](C)CC)c1 ZINC000035945522 521742960 /nfs/dbraw/zinc/74/29/60/521742960.db2.gz OYIWVUFOCPYWQY-WMZHIEFXSA-N 0 0 438.616 5.215 50 0 IKAARN CCc1cccc(NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)c1 ZINC000020415095 521749380 /nfs/dbraw/zinc/74/93/80/521749380.db2.gz SNASRQUUCSYNSD-UHFFFAOYSA-N 0 0 434.540 5.401 50 0 IKAARN COC(=O)c1c(C)n(CCCOC23CC4CC(CC(C4)C2)C3)c2c1cc(O)c1ccccc21 ZINC000012372301 521754936 /nfs/dbraw/zinc/75/49/36/521754936.db2.gz WZCPOQLNBMYCDI-UHFFFAOYSA-N 0 0 447.575 5.971 50 0 IKAARN CCc1cccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)c1 ZINC000034927432 521759588 /nfs/dbraw/zinc/75/95/88/521759588.db2.gz OSBQCOCAJBWCFJ-UHFFFAOYSA-N 0 0 429.973 5.006 50 0 IKAARN CCc1cccc(NC(=O)c2ccc(CN3C(=O)CSc4nc(C)cc(C)c43)cc2)c1 ZINC000020560101 521768968 /nfs/dbraw/zinc/76/89/68/521768968.db2.gz LRZCBSDULYRSIV-UHFFFAOYSA-N 0 0 431.561 5.152 50 0 IKAARN COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000020467906 521769928 /nfs/dbraw/zinc/76/99/28/521769928.db2.gz OPDJXSREKVLFPY-GFCCVEGCSA-N 0 0 435.973 5.600 50 0 IKAARN COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000020467905 521770237 /nfs/dbraw/zinc/77/02/37/521770237.db2.gz OPDJXSREKVLFPY-LBPRGKRZSA-N 0 0 435.973 5.600 50 0 IKAARN COC(=O)c1c(SCc2ccc(Cl)cc2)nc2ccccc2c1OCc1ccccc1 ZINC000020986925 521783801 /nfs/dbraw/zinc/78/38/01/521783801.db2.gz VCTWVBYLFADIOK-UHFFFAOYSA-N 0 0 449.959 6.546 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3cccc(Oc4ccccc4)c3)c[nH]c21 ZINC000035471712 521792227 /nfs/dbraw/zinc/79/22/27/521792227.db2.gz FUOVRIPMKKZCFP-SANMLTNESA-N 0 0 438.571 6.667 50 0 IKAARN COC(=O)c1c2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2oc1C(C)(C)C ZINC000001167138 521792601 /nfs/dbraw/zinc/79/26/01/521792601.db2.gz QQEWXKAUYPXZKX-UHFFFAOYSA-N 0 0 437.517 5.471 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCc3ccccc3)c3ccc(F)cc3)c[nH]c21 ZINC000035776233 521793043 /nfs/dbraw/zinc/79/30/43/521793043.db2.gz YQFNEHWWLUQTDL-FNZWTVRRSA-N 0 0 442.578 6.529 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccc(F)cc3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910561 521793320 /nfs/dbraw/zinc/79/33/20/521793320.db2.gz WSMJVKDCEITWKQ-QFIPXVFZSA-N 0 0 436.477 5.986 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccc(F)cc3)c3cccc(OC)c3)c[nH]c21 ZINC000035889372 521793472 /nfs/dbraw/zinc/79/34/72/521793472.db2.gz MAQWTVCPILWHHN-DEOSSOPVSA-N 0 0 430.523 5.716 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888885 521793672 /nfs/dbraw/zinc/79/36/72/521793672.db2.gz NTULFDWQCLZBJF-QFIPXVFZSA-N 0 0 426.516 5.297 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)c3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908327 521795017 /nfs/dbraw/zinc/79/50/17/521795017.db2.gz YTVROIPBIZOXQL-JPYJTQIMSA-N 0 0 430.979 6.783 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)c3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888892 521795668 /nfs/dbraw/zinc/79/56/68/521795668.db2.gz YHRRLAFQVCAJSA-JPYJTQIMSA-N 0 0 440.543 5.858 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888759 521795800 /nfs/dbraw/zinc/79/58/00/521795800.db2.gz TUSXQZNQBJWGDT-HSZRJFAPSA-N 0 0 442.559 5.586 50 0 biogenic IKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)C(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908394 521795993 /nfs/dbraw/zinc/79/59/93/521795993.db2.gz MYXQDLLKHFEZQT-OXJNMPFZSA-N 0 0 430.514 6.432 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997665 521799034 /nfs/dbraw/zinc/79/90/34/521799034.db2.gz BFZQZXCKQQHEIB-NRFANRHFSA-N 0 0 440.956 5.365 50 0 IKAARN COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)Nc2cccc(Cl)c2)n1 ZINC000012369892 521827592 /nfs/dbraw/zinc/82/75/92/521827592.db2.gz DEOIWCOWZSGCGG-UHFFFAOYSA-N 0 0 428.901 5.020 50 0 IKAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1Cl ZINC000001262997 521836825 /nfs/dbraw/zinc/83/68/25/521836825.db2.gz NAUVIJDLJMCUPI-UHFFFAOYSA-N 0 0 446.359 5.115 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C ZINC000013946110 521839144 /nfs/dbraw/zinc/83/91/44/521839144.db2.gz JEYZWXBBMWJJMA-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000027407259 521847803 /nfs/dbraw/zinc/84/78/03/521847803.db2.gz MVMDECIMXWXGAN-KBXCAEBGSA-N 0 0 448.589 5.029 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c(F)c1F ZINC000012651147 521850354 /nfs/dbraw/zinc/85/03/54/521850354.db2.gz BMURASULOJXKLO-UHFFFAOYSA-N 0 0 430.357 5.621 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1 ZINC000035925088 521852460 /nfs/dbraw/zinc/85/24/60/521852460.db2.gz VOLBCAYRCYCKIH-YIXXDRMTSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000035925082 521853219 /nfs/dbraw/zinc/85/32/19/521853219.db2.gz ZAZRJAVDDJIUGM-AVRWGWEMSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1N1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2S1(=O)=O ZINC000021657865 521853350 /nfs/dbraw/zinc/85/33/50/521853350.db2.gz WSPYUPLYTLJEFW-UHFFFAOYSA-N 0 0 448.588 5.882 50 0 IKAARN CCc1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(C)cc3)N2C1=O ZINC000012864932 521853694 /nfs/dbraw/zinc/85/36/94/521853694.db2.gz JMDDYQZNOQMINW-AHWVRZQESA-N 0 0 435.527 5.522 50 0 biogenic IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 ZINC000035925086 521853739 /nfs/dbraw/zinc/85/37/39/521853739.db2.gz VOLBCAYRCYCKIH-WNCULLNHSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012917445 521863914 /nfs/dbraw/zinc/86/39/14/521863914.db2.gz JMCPTWCDZFARNS-UHFFFAOYSA-N 0 0 430.426 5.239 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN([C@H](C)c1ccc(F)cc1)C(=O)CO2)c1ccccc1 ZINC000035909700 521870393 /nfs/dbraw/zinc/87/03/93/521870393.db2.gz VJUVKYARPMVAPK-HOYKHHGWSA-N 0 0 446.522 5.440 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1)c1ccccc1 ZINC000035928573 521870803 /nfs/dbraw/zinc/87/08/03/521870803.db2.gz PRETUWQYRIUSNZ-GJZUVCINSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2C)cc1)c1ccccc1 ZINC000035927162 521870993 /nfs/dbraw/zinc/87/09/93/521870993.db2.gz OPKOBFVEHXQSLW-KCWPFWIISA-N 0 0 444.600 6.214 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1)c1ccccc1 ZINC000035910310 521871393 /nfs/dbraw/zinc/87/13/93/521871393.db2.gz COGMERKBIQVTEV-ZEQKJWHPSA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1 ZINC000035927282 521871617 /nfs/dbraw/zinc/87/16/17/521871617.db2.gz GZWPVKNORPGCTN-RDGATRHJSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(OC)c2)c1)c1ccccc1 ZINC000035927234 521872524 /nfs/dbraw/zinc/87/25/24/521872524.db2.gz DNTFTCUKDWCXAB-BVAGGSTKSA-N 0 0 446.572 5.606 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)ccc2F)c1)c1ccccc1 ZINC000035928053 521872733 /nfs/dbraw/zinc/87/27/33/521872733.db2.gz FLYDNXHMHZAXCS-RLWLMLJZSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2C)c1)c1ccccc1 ZINC000035912223 521873215 /nfs/dbraw/zinc/87/32/15/521873215.db2.gz ZHZNGZUNQKBQIX-YIXXDRMTSA-N 0 0 444.600 6.214 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1 ZINC000035927308 521874313 /nfs/dbraw/zinc/87/43/13/521874313.db2.gz AQVXXUGRNZSBCC-RCZVLFRGSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2C)c1)c1ccccc1 ZINC000035912225 521874376 /nfs/dbraw/zinc/87/43/76/521874376.db2.gz ZHZNGZUNQKBQIX-KCWPFWIISA-N 0 0 444.600 6.214 50 0 IKAARN CCc1ccccc1NC(=O)CSc1ncnc2nc(N(C)Cc3ccccc3)sc21 ZINC000035534056 521879490 /nfs/dbraw/zinc/87/94/90/521879490.db2.gz NXZWXETYHZBIDR-UHFFFAOYSA-N 0 0 449.605 5.016 50 0 IKAARN CC[C@@H](C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccccc1 ZINC000035912945 521880254 /nfs/dbraw/zinc/88/02/54/521880254.db2.gz GXFHGRMXIQQCQN-MRXNPFEDSA-N 0 0 437.512 5.982 50 0 IKAARN COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000036025447 521890245 /nfs/dbraw/zinc/89/02/45/521890245.db2.gz VCYLUWWVUJRDTH-TZIWHRDSSA-N 0 0 425.569 5.385 50 0 biogenic IKAARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C(C)C)CCCC3 ZINC000021539862 521892639 /nfs/dbraw/zinc/89/26/39/521892639.db2.gz BQTVUQFMTUOARN-XMMPIXPASA-N 0 0 433.621 6.725 50 0 IKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc21 ZINC000033278505 521896584 /nfs/dbraw/zinc/89/65/84/521896584.db2.gz SFZMTRXAEDJCDZ-UHFFFAOYSA-N 0 0 441.487 5.634 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1 ZINC000035910199 521897966 /nfs/dbraw/zinc/89/79/66/521897966.db2.gz PBEDJBWNPKYBKX-HSZRJFAPSA-N 0 0 435.524 5.811 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1 ZINC000035910217 521899000 /nfs/dbraw/zinc/89/90/00/521899000.db2.gz HDDNJLBSQOJWTR-HSZRJFAPSA-N 0 0 435.524 5.811 50 0 IKAARN COc1cc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)cc(OC)c1OC ZINC000065032397 521900634 /nfs/dbraw/zinc/90/06/34/521900634.db2.gz JGFODBKDUSHYDG-UHFFFAOYSA-N 0 0 435.505 5.430 50 0 IKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3cccc(C(F)(F)F)c3)[nH]2)cc2c1OCO2 ZINC000013361687 521901586 /nfs/dbraw/zinc/90/15/86/521901586.db2.gz KJEIEZXRZSAPTA-UHFFFAOYSA-N 0 0 438.405 6.167 50 0 IKAARN COc1cc(-c2nc(CN3CCC[C@@H]3c3nc4cc(Cl)ccc4[nH]3)c(C)o2)ccc1F ZINC000012444697 521902791 /nfs/dbraw/zinc/90/27/91/521902791.db2.gz QEMATBBWSOHTKO-HXUWFJFHSA-N 0 0 440.906 5.665 50 0 IKAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1OCc1ccc(C)cc1 ZINC000012285378 521906223 /nfs/dbraw/zinc/90/62/23/521906223.db2.gz VKPXDEURLYMLPJ-MRXNPFEDSA-N 0 0 446.572 5.672 50 0 IKAARN COc1cc(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc(OC)c1OC ZINC000015861492 521907288 /nfs/dbraw/zinc/90/72/88/521907288.db2.gz DLCKEJOOVIHJCS-UHFFFAOYSA-N 0 0 426.875 5.570 50 0 IKAARN COc1cc(-c2nc3ccccn3c2Nc2ccc(Br)cc2)cc(OC)c1O ZINC000035616026 521907566 /nfs/dbraw/zinc/90/75/66/521907566.db2.gz SDNQBSANGIZKIG-UHFFFAOYSA-N 0 0 440.297 5.230 50 0 IKAARN COc1cc(-c2nnc(SCc3nc(-c4ccccc4)oc3C)o2)cc(OC)c1OC ZINC000012471194 521911797 /nfs/dbraw/zinc/91/17/97/521911797.db2.gz FQOFRTXARPQCKF-UHFFFAOYSA-N 0 0 439.493 5.018 50 0 IKAARN COc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)o2)cc(OC)c1OC ZINC000012418837 521912450 /nfs/dbraw/zinc/91/24/50/521912450.db2.gz GSNMPWWKMMDCKJ-UHFFFAOYSA-N 0 0 426.416 5.074 50 0 IKAARN COc1cc(-c2oc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012539018 521918764 /nfs/dbraw/zinc/91/87/64/521918764.db2.gz WTYCOABUVSRBGG-UHFFFAOYSA-N 0 0 426.472 6.183 50 0 IKAARN CCc1ccccc1OCCOC(=O)CSc1nc2ccccc2n1Cc1ccccc1 ZINC000033013850 521921333 /nfs/dbraw/zinc/92/13/33/521921333.db2.gz XXDGYQAXXGABTJ-UHFFFAOYSA-N 0 0 446.572 5.361 50 0 IKAARN COC(=O)c1cc2nc(Cc3ccccc3)oc2c(NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000012417762 521924635 /nfs/dbraw/zinc/92/46/35/521924635.db2.gz LVMHSBGMGWVISV-IBGZPJMESA-N 0 0 440.499 5.264 50 0 IKAARN COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1OCc1ccccc1Cl ZINC000012658639 521949747 /nfs/dbraw/zinc/94/97/47/521949747.db2.gz NNBQEWXQJBQHLC-VCHYOVAHSA-N 0 0 426.299 6.074 50 0 IKAARN COC(=O)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000012555317 521990788 /nfs/dbraw/zinc/99/07/88/521990788.db2.gz ITHKTCSFOLPNQI-UHFFFAOYSA-N 0 0 428.538 6.282 50 0 IKAARN COc1cc(Br)cc2cc(C(=O)Oc3ccc(C(C)(C)C)cc3)c(=O)oc21 ZINC000012381706 522029559 /nfs/dbraw/zinc/02/95/59/522029559.db2.gz QCVPNWHGXUVFIK-UHFFFAOYSA-N 0 0 431.282 5.081 50 0 IKAARN CC[C@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2SCc2noc(C)n2)cc1 ZINC000012918759 522036029 /nfs/dbraw/zinc/03/60/29/522036029.db2.gz CABVXXCINKCXLY-ZDUSSCGKSA-N 0 0 440.956 5.536 50 0 IKAARN COC(=O)c1ccc(COc2ccc(/C=C/c3nc4ccccc4s3)cc2OC)cc1 ZINC000014361459 522047046 /nfs/dbraw/zinc/04/70/46/522047046.db2.gz FSWWEENEGBWRCL-GXDHUFHOSA-N 0 0 431.513 5.841 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)o1 ZINC000035848223 522053186 /nfs/dbraw/zinc/05/31/86/522053186.db2.gz DFJKKIHMQJVLSW-UHFFFAOYSA-N 0 0 439.924 5.568 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000012632185 522055100 /nfs/dbraw/zinc/05/51/00/522055100.db2.gz ZECYSFPTRUDRDR-UHFFFAOYSA-N 0 0 425.457 5.379 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CCCC3 ZINC000035849298 522056274 /nfs/dbraw/zinc/05/62/74/522056274.db2.gz ZAPYFYLMNDHPTK-INIZCTEOSA-N 0 0 428.646 5.168 50 0 IKAARN COc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)cc(OC)c1OC ZINC000012768334 522063767 /nfs/dbraw/zinc/06/37/67/522063767.db2.gz GVSCBJOWSRYBRN-KRWDZBQOSA-N 0 0 425.550 5.048 50 0 IKAARN COCCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000012768839 522074030 /nfs/dbraw/zinc/07/40/30/522074030.db2.gz YERLUOUSWYYLIK-INIZCTEOSA-N 0 0 429.973 5.225 50 0 IKAARN COCCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000012768844 522075269 /nfs/dbraw/zinc/07/52/69/522075269.db2.gz YERLUOUSWYYLIK-MRXNPFEDSA-N 0 0 429.973 5.225 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035976829 522097475 /nfs/dbraw/zinc/09/74/75/522097475.db2.gz PGSVPGAWOKBVGZ-LJQANCHMSA-N 0 0 447.579 5.909 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035943881 522097513 /nfs/dbraw/zinc/09/75/13/522097513.db2.gz BQWYLBIEVRSPKN-QGZVFWFLSA-N 0 0 442.003 5.586 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CCC1 ZINC000035976550 522098791 /nfs/dbraw/zinc/09/87/91/522098791.db2.gz AJZKIKOLHBMVTR-LJQANCHMSA-N 0 0 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ZINC000012694661 522166722 /nfs/dbraw/zinc/16/67/22/522166722.db2.gz AJMNJRYIQZYBAA-UHFFFAOYSA-N 0 0 443.594 5.435 50 0 IKAARN COc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc(Cl)c1OC ZINC000012682285 522172485 /nfs/dbraw/zinc/17/24/85/522172485.db2.gz REWUDBMNZQHTPU-NRFANRHFSA-N 0 0 439.895 5.202 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196075 522174534 /nfs/dbraw/zinc/17/45/34/522174534.db2.gz RWYHXFGKNALADQ-FYYLOGMGSA-N 0 0 436.870 5.508 50 0 IKAARN COc1cc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1C(C)C ZINC000012445191 522196441 /nfs/dbraw/zinc/19/64/41/522196441.db2.gz JCZCIEOAGQDLQP-UHFFFAOYSA-N 0 0 444.600 6.178 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCC3CCCC3)c2)cc1 ZINC000035928488 522221012 /nfs/dbraw/zinc/22/10/12/522221012.db2.gz ILODWRZLJVYBKC-VWLOTQADSA-N 0 0 437.609 5.440 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(Cc1ccco1)C(=O)NC(C)(C)C ZINC000035945307 522221991 /nfs/dbraw/zinc/22/19/91/522221991.db2.gz GAAZXLYFHRNKRT-UHFFFAOYSA-N 0 0 442.604 5.231 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C ZINC000012859250 522222873 /nfs/dbraw/zinc/22/28/73/522222873.db2.gz TXCLQMKSALKHQJ-CYBMUJFWSA-N 0 0 438.597 5.386 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(CC1CC1)C(=O)c1ccc(F)cc1 ZINC000035946083 522223167 /nfs/dbraw/zinc/22/31/67/522223167.db2.gz UBNBDZZLURTRRU-UHFFFAOYSA-N 0 0 439.575 5.319 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000012565699 522242560 /nfs/dbraw/zinc/24/25/60/522242560.db2.gz FZRZUSMYZIQIER-HSZRJFAPSA-N 0 0 447.966 5.214 50 0 IKAARN CN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000012635527 522247322 /nfs/dbraw/zinc/24/73/22/522247322.db2.gz NCVOQODIVTZAMA-SANMLTNESA-N 0 0 433.555 5.949 50 0 IKAARN COC(=O)c1ccccc1CN(Cc1cccn1Cc1ccccc1C)Cc1ccccc1 ZINC000035841102 522262058 /nfs/dbraw/zinc/26/20/58/522262058.db2.gz JCWCHXGNPUAGPB-UHFFFAOYSA-N 0 0 438.571 5.834 50 0 IKAARN COC(=O)c1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879709 522276993 /nfs/dbraw/zinc/27/69/93/522276993.db2.gz YSUGWRSIXFKRLG-DEOSSOPVSA-N 0 0 443.478 5.273 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881153 522281889 /nfs/dbraw/zinc/28/18/89/522281889.db2.gz KCXLEYWZEWGJQZ-UHFFFAOYSA-N 0 0 431.488 5.018 50 0 IKAARN COc1cc(CCC2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc(OC)c1 ZINC000021396140 522326438 /nfs/dbraw/zinc/32/64/38/522326438.db2.gz USHZTYSPFKWAME-MRXNPFEDSA-N 0 0 427.570 5.221 50 0 IKAARN COc1cc(CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000012656438 522327582 /nfs/dbraw/zinc/32/75/82/522327582.db2.gz ZHIVBCDRTHQDMU-UHFFFAOYSA-N 0 0 440.536 5.119 50 0 IKAARN COc1cc(CN(C(=O)/C=C/c2cccs2)C2CC2)ccc1OCc1ccc(F)cc1 ZINC000014971313 522338908 /nfs/dbraw/zinc/33/89/08/522338908.db2.gz BXYSTCCQJIXBRD-ACCUITESSA-N 0 0 437.536 5.679 50 0 IKAARN COc1cc(CN(C(=O)c2cccs2)C2CCCC2)ccc1OC[C@@H]1CCCCO1 ZINC000012191689 522341197 /nfs/dbraw/zinc/34/11/97/522341197.db2.gz VQDOSBNRGFLJEK-FQEVSTJZSA-N 0 0 429.582 5.290 50 0 IKAARN CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccc(C)cc1 ZINC000012743647 522364518 /nfs/dbraw/zinc/36/45/18/522364518.db2.gz ZQPHXLWSKNEMDJ-VWLOTQADSA-N 0 0 444.575 5.277 50 0 IKAARN CCc1nc(NC(=O)COc2cccc(C)c2)sc1-c1nc(-c2ccccc2C)no1 ZINC000020898185 522395421 /nfs/dbraw/zinc/39/54/21/522395421.db2.gz ZUJGQMJNRUQSSF-UHFFFAOYSA-N 0 0 434.521 5.057 50 0 IKAARN CC[C@H](NC(=O)Cn1c2ccccc2nc1-c1cncs1)C12CC3CC(CC(C3)C1)C2 ZINC000012418752 522405580 /nfs/dbraw/zinc/40/55/80/522405580.db2.gz RZVMPQWJXIKDEQ-TVHGACNRSA-N 0 0 434.609 5.271 50 0 IKAARN CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)Cc1ccc(Br)cc1 ZINC000012911257 522421713 /nfs/dbraw/zinc/42/17/13/522421713.db2.gz YRFKTIQOOJQIFH-UHFFFAOYSA-N 0 0 437.381 5.129 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)cn2)cc1 ZINC000017096625 522425771 /nfs/dbraw/zinc/42/57/71/522425771.db2.gz BRTFZOBRZKXEKS-RBUKOAKNSA-N 0 0 429.564 6.613 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000020573310 522426547 /nfs/dbraw/zinc/42/65/47/522426547.db2.gz ICTYOAUBCHBCQI-QGZVFWFLSA-N 0 0 439.606 5.810 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000012565547 522433461 /nfs/dbraw/zinc/43/34/61/522433461.db2.gz QFBGLAUKNDIICH-QGZVFWFLSA-N 0 0 445.563 6.680 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1cc(Br)ccc1OC ZINC000001854411 522433941 /nfs/dbraw/zinc/43/39/41/522433941.db2.gz DQPBDEMPEOELFE-BRADTZPFSA-N 0 0 447.398 5.498 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CCCCC3 ZINC000035892309 522441025 /nfs/dbraw/zinc/44/10/25/522441025.db2.gz RKLWOHRHCVDJQU-GOSISDBHSA-N 0 0 448.636 5.436 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CCCCC3 ZINC000035892353 522441458 /nfs/dbraw/zinc/44/14/58/522441458.db2.gz DMQJFYANKXFQPI-MRXNPFEDSA-N 0 0 438.597 5.029 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@@H](C)C3 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449.001 5.600 50 0 IKAARN COc1cc(Cl)cc(CN[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1OC ZINC000012431673 522544383 /nfs/dbraw/zinc/54/43/83/522544383.db2.gz RISWUGNNSZNSCL-NRFANRHFSA-N 0 0 425.960 5.327 50 0 IKAARN COc1cc(Cl)ccc1S(=O)(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022664788 522561351 /nfs/dbraw/zinc/56/13/51/522561351.db2.gz HDRYAZQGMNRZNN-UHFFFAOYSA-N 0 0 447.906 5.011 50 0 IKAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)Nc1ccccc1 ZINC000021798615 522636126 /nfs/dbraw/zinc/63/61/26/522636126.db2.gz YLSVOOFHRNSRHV-UHFFFAOYSA-N 0 0 447.926 5.363 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NCc1ccccn1 ZINC000034672262 522637199 /nfs/dbraw/zinc/63/71/99/522637199.db2.gz SNSCBEWXFCGIAM-UHFFFAOYSA-N 0 0 444.510 5.010 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C1CCC1 ZINC000035972688 522637651 /nfs/dbraw/zinc/63/76/51/522637651.db2.gz PQLUVKQLYLDOSV-UHFFFAOYSA-N 0 0 447.554 5.905 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)c1ccco1)C1CC1 ZINC000035972558 522637818 /nfs/dbraw/zinc/63/78/18/522637818.db2.gz YRVSRWKUVAMNGV-UHFFFAOYSA-N 0 0 445.494 5.764 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035972696 522637911 /nfs/dbraw/zinc/63/79/11/522637911.db2.gz MFAHQEGOUCTRLU-UHFFFAOYSA-N 0 0 433.527 5.515 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C(=O)C1CCC1 ZINC000035975610 522639040 /nfs/dbraw/zinc/63/90/40/522639040.db2.gz UJPYFCUHJMPAFV-UHFFFAOYSA-N 0 0 433.552 5.002 50 0 IKAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC(C)C)C(=O)c1ccccc1Cl ZINC000035973331 522639584 /nfs/dbraw/zinc/63/95/84/522639584.db2.gz WVMSHNPLIFAKPJ-UHFFFAOYSA-N 0 0 439.003 5.453 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)C(C)C ZINC000035975676 522641633 /nfs/dbraw/zinc/64/16/33/522641633.db2.gz UMDZBOBERYMZEW-HSZRJFAPSA-N 0 0 447.579 5.391 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035975821 522643280 /nfs/dbraw/zinc/64/32/80/522643280.db2.gz RQCKGGSKFHWVJB-UHFFFAOYSA-N 0 0 433.527 5.657 50 0 IKAARN COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1-c1cc2ccccc2oc1=O ZINC000012861251 522651894 /nfs/dbraw/zinc/65/18/94/522651894.db2.gz XTTRPGGRMJMLRL-UHFFFAOYSA-N 0 0 443.543 6.014 50 0 IKAARN COc1cc(NC(=O)CSc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000032961319 522667034 /nfs/dbraw/zinc/66/70/34/522667034.db2.gz NXQIXMGXTJJNNY-UHFFFAOYSA-N 0 0 449.557 5.288 50 0 IKAARN CC[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cncs1)C12CC3CC(CC(C3)C1)C2 ZINC000012418755 522700928 /nfs/dbraw/zinc/70/09/28/522700928.db2.gz RZVMPQWJXIKDEQ-DRQCUQGNSA-N 0 0 434.609 5.271 50 0 IKAARN COc1cc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)c(OC)cc1Cl ZINC000033300998 522720016 /nfs/dbraw/zinc/72/00/16/522720016.db2.gz PVVSJWDQRZFDSB-UHFFFAOYSA-N 0 0 437.974 5.271 50 0 IKAARN COc1cc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc(OC)c1 ZINC000035509922 522720768 /nfs/dbraw/zinc/72/07/68/522720768.db2.gz WJPBEANPINTJIY-UHFFFAOYSA-N 0 0 427.913 5.318 50 0 IKAARN COc1cc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc(OC)c1OC ZINC000015864994 522724653 /nfs/dbraw/zinc/72/46/53/522724653.db2.gz KMFKOPMPQIPJEW-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN COc1cc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc(OC)c1 ZINC000035446417 522769048 /nfs/dbraw/zinc/76/90/48/522769048.db2.gz ZMFSGDUKDKCAPC-UHFFFAOYSA-N 0 0 439.475 5.416 50 0 IKAARN CCc1nnc2c(Oc3cccc(NC(=O)c4cccc(F)c4)c3)nc3ccccc3n12 ZINC000035461133 522795928 /nfs/dbraw/zinc/79/59/28/522795928.db2.gz OCIXBYSGCLTBFA-UHFFFAOYSA-N 0 0 427.439 5.024 50 0 IKAARN COc1cc(OC)c(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1Cl ZINC000012390090 522812812 /nfs/dbraw/zinc/81/28/12/522812812.db2.gz NHTSQUXFNBSBAH-UHFFFAOYSA-N 0 0 436.892 5.189 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3OC)n2-c2ccc(C)cc2)c1 ZINC000035847777 522839154 /nfs/dbraw/zinc/83/91/54/522839154.db2.gz STSFYICEJSABFN-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C)c(C)c3)n2C2CCCCC2)c1 ZINC000035847589 522839212 /nfs/dbraw/zinc/83/92/12/522839212.db2.gz RCUBBMVCDIBPBX-UHFFFAOYSA-N 0 0 437.609 6.377 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cc(C)ccc3C)n2-c2ccccc2)c1 ZINC000035847622 522839243 /nfs/dbraw/zinc/83/92/43/522839243.db2.gz PZZZPYDXDQRPFW-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cc(C)ccc3C)n2-c2ccc(C)cc2)c1 ZINC000035847746 522839562 /nfs/dbraw/zinc/83/95/62/522839562.db2.gz QQCOPJHYKDDACY-UHFFFAOYSA-N 0 0 445.588 6.169 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C)c(C)c3)n2-c2ccccc2C)c1 ZINC000035847716 522839677 /nfs/dbraw/zinc/83/96/77/522839677.db2.gz MCMHYHKYBGWEBA-UHFFFAOYSA-N 0 0 445.588 6.169 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(C)c3)c2)c1 ZINC000035910351 522856053 /nfs/dbraw/zinc/85/60/53/522856053.db2.gz ROBXDFUOMMMDRL-VWLOTQADSA-N 0 0 448.544 5.043 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)cc3)cc2)c1 ZINC000035912285 522857826 /nfs/dbraw/zinc/85/78/26/522857826.db2.gz OVHOCQMPQPJZLH-RUZDIDTESA-N 0 0 448.544 5.043 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cc(Cl)ccc1C ZINC000015733494 522888238 /nfs/dbraw/zinc/88/82/38/522888238.db2.gz XWASSQWMYKMKIZ-NRFANRHFSA-N 0 0 447.922 6.162 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000015733462 522888612 /nfs/dbraw/zinc/88/86/12/522888612.db2.gz QEGQCQYKJYCAAR-QHCPKHFHSA-N 0 0 441.531 6.323 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(OC)c1 ZINC000021915754 522890435 /nfs/dbraw/zinc/89/04/35/522890435.db2.gz ZJWIWSPSQFCJQA-NRFANRHFSA-N 0 0 429.476 5.208 50 0 IKAARN COc1cc(OCc2ccccc2)ccc1CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000012340476 522891731 /nfs/dbraw/zinc/89/17/31/522891731.db2.gz IOCITSYWOBMZOM-UHFFFAOYSA-N 0 0 433.523 5.508 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021936753 522915721 /nfs/dbraw/zinc/91/57/21/522915721.db2.gz DPFDWCFGUUQLOA-RTWAWAEBSA-N 0 0 448.592 5.150 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21)C(=O)Nc1ccccc1C ZINC000021936861 522917705 /nfs/dbraw/zinc/91/77/05/522917705.db2.gz GQLFLONGRJIJES-RTWAWAEBSA-N 0 0 448.592 5.150 50 0 IKAARN COCc1cc(C)nc2sc(C(=O)c3cccc(OC)c3)c(NC(=O)c3ccccc3)c21 ZINC000012445348 522919440 /nfs/dbraw/zinc/91/94/40/522919440.db2.gz XTPICOUQTRGTFH-UHFFFAOYSA-N 0 0 446.528 5.243 50 0 IKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccc(C)cc1)n1c2ccccc2nc1-3 ZINC000012447699 522920712 /nfs/dbraw/zinc/92/07/12/522920712.db2.gz UDEGFPKUWWESKA-HSZRJFAPSA-N 0 0 426.545 6.049 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)c1ccc(C)cc1 ZINC000001074302 522924693 /nfs/dbraw/zinc/92/46/93/522924693.db2.gz XZJZTKOQMVTUAU-QFIPXVFZSA-N 0 0 437.495 5.850 50 0 IKAARN COc1cc([C@@H]2CCN(Cc3ccccc3F)c3ccccc3S2)cc(OC)c1OC ZINC000012454541 522926376 /nfs/dbraw/zinc/92/63/76/522926376.db2.gz KERRQTDOQCLSRD-QHCPKHFHSA-N 0 0 439.552 6.095 50 0 IKAARN COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(C)cs2)cc(OC)c1OC ZINC000015830546 522926589 /nfs/dbraw/zinc/92/65/89/522926589.db2.gz FPSDPNPAAIJVTP-SFHVURJKSA-N 0 0 443.956 5.486 50 0 IKAARN CC[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3cccs3)ccc2O[C@@H](CC)C1=O ZINC000035909560 522946734 /nfs/dbraw/zinc/94/67/34/522946734.db2.gz RKLQQXWIZKANLC-RTWAWAEBSA-N 0 0 434.561 5.651 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)ccc1OCc1ccccc1F ZINC000015084833 522960761 /nfs/dbraw/zinc/96/07/61/522960761.db2.gz WIKHPQUSZRKHJY-GOSISDBHSA-N 0 0 437.536 5.828 50 0 IKAARN COc1cc([C@H]2CC(=O)Oc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1F ZINC000012419609 522960828 /nfs/dbraw/zinc/96/08/28/522960828.db2.gz GEZVUTFAACMJOP-LJQANCHMSA-N 0 0 444.462 5.244 50 0 IKAARN COc1cc([C@H]2CCN(Cc3ccccc3F)c3ccccc3S2)cc(OC)c1OC ZINC000012454543 522961515 /nfs/dbraw/zinc/96/15/15/522961515.db2.gz KERRQTDOQCLSRD-HSZRJFAPSA-N 0 0 439.552 6.095 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1ccc(-n2nc(C)c(-c3ccccc3)c2NC(C)=O)cc1 ZINC000033037030 523016352 /nfs/dbraw/zinc/01/63/52/523016352.db2.gz YDSWLOSYZMTZKX-QFIPXVFZSA-N 0 0 430.552 5.211 50 0 IKAARN COc1cc2c(cc1NC(=O)O[C@@H]1CCN3Cc4ccccc4N=C13)oc1ccccc12 ZINC000012660202 523017999 /nfs/dbraw/zinc/01/79/99/523017999.db2.gz PTKFADNXHNPQEW-OAQYLSRUSA-N 0 0 427.460 5.461 50 0 biogenic IKAARN COc1cc2c(cc1NC(=O)O[C@H]1CCN3Cc4ccccc4N=C13)oc1ccccc12 ZINC000012660203 523018099 /nfs/dbraw/zinc/01/80/99/523018099.db2.gz PTKFADNXHNPQEW-NRFANRHFSA-N 0 0 427.460 5.461 50 0 biogenic IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccccc3Cl)cc1)=NCC2 ZINC000035623015 523022656 /nfs/dbraw/zinc/02/26/56/523022656.db2.gz NDUFFHQXIVFVJA-UHFFFAOYSA-N 0 0 449.938 5.589 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(C)cc3)cc1)=NCC2 ZINC000035623011 523022898 /nfs/dbraw/zinc/02/28/98/523022898.db2.gz HAXCWNUIUQWKNI-UHFFFAOYSA-N 0 0 429.520 5.244 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccccc1C(F)(F)F)CC2 ZINC000023447458 523040195 /nfs/dbraw/zinc/04/01/95/523040195.db2.gz BAICWCLMOXVRPN-HSZRJFAPSA-N 0 0 441.449 5.511 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1Cl)N(c1ccc(C)cc1)C(=O)C2 ZINC000016676065 523040429 /nfs/dbraw/zinc/04/04/29/523040429.db2.gz CYMMIJUCAPMFIM-XMMPIXPASA-N 0 0 442.342 5.998 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)C(=O)C2 ZINC000020446062 523041676 /nfs/dbraw/zinc/04/16/76/523041676.db2.gz KFYKRBQMJPSCNZ-HSZRJFAPSA-N 0 0 445.412 5.540 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000023438185 523044617 /nfs/dbraw/zinc/04/46/17/523044617.db2.gz KCOYDARNMUEKMD-XMMPIXPASA-N 0 0 436.939 5.845 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1C)CC2 ZINC000023449028 523047919 /nfs/dbraw/zinc/04/79/19/523047919.db2.gz LJAOKGJDGNFSSK-XMMPIXPASA-N 0 0 439.914 5.593 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc3c(c1)OCO3)CC2 ZINC000022023283 523052483 /nfs/dbraw/zinc/05/24/83/523052483.db2.gz VULRBXURXOLGHN-VWLOTQADSA-N 0 0 437.923 5.234 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1c(C)cccc1C ZINC000015733499 523057526 /nfs/dbraw/zinc/05/75/26/523057526.db2.gz GGQFMALGTZOBPE-OAQYLSRUSA-N 0 0 427.504 5.817 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OCC(=O)Nc4ccc(C)cc4)ccc3oc2=O)cc1 ZINC000011865080 523077102 /nfs/dbraw/zinc/07/71/02/523077102.db2.gz VKUBWFVCQACPSA-UHFFFAOYSA-N 0 0 429.472 5.103 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021936749 523077604 /nfs/dbraw/zinc/07/76/04/523077604.db2.gz DPFDWCFGUUQLOA-NHCUHLMSSA-N 0 0 448.592 5.150 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21)C(=O)Nc1ccccc1C ZINC000021936850 523078722 /nfs/dbraw/zinc/07/87/22/523078722.db2.gz GQLFLONGRJIJES-LEWJYISDSA-N 0 0 448.592 5.150 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CNc3cccc(C)c3)n2)cc1 ZINC000021659536 523084328 /nfs/dbraw/zinc/08/43/28/523084328.db2.gz ZXZWOYYBGFZNIU-UHFFFAOYSA-N 0 0 438.531 5.487 50 0 IKAARN CC[C@@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1cc(Cl)ccc1C ZINC000020510700 523086435 /nfs/dbraw/zinc/08/64/35/523086435.db2.gz FHZSCLKRGTXJRC-QGZVFWFLSA-N 0 0 430.986 5.724 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3ccccc3F)n2)cc1 ZINC000021659347 523086756 /nfs/dbraw/zinc/08/67/56/523086756.db2.gz SWDRMHYSZWYRDT-UHFFFAOYSA-N 0 0 428.467 5.009 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(C[C@@H](C)c3ccccc3)CO2)cc1 ZINC000020610332 523088687 /nfs/dbraw/zinc/08/86/87/523088687.db2.gz WKMULFHPVVXFFW-GOSISDBHSA-N 0 0 427.500 5.424 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(C[C@@H](C)c2ccccc2)CO4)cc1 ZINC000020610010 523088749 /nfs/dbraw/zinc/08/87/49/523088749.db2.gz AGQUCBAWQAMFJI-GOSISDBHSA-N 0 0 441.527 5.733 50 0 biogenic IKAARN COc1ccc(-c2cc(C(=O)NC(C)(C)C)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1 ZINC000034834176 523095445 /nfs/dbraw/zinc/09/54/45/523095445.db2.gz GEIPYXNNIJBVSB-UHFFFAOYSA-N 0 0 434.927 5.254 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)cc1OC ZINC000020615028 523106505 /nfs/dbraw/zinc/10/65/05/523106505.db2.gz TYKOMNBVRYRXAU-UHFFFAOYSA-N 0 0 443.881 6.063 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)no2)c(OC)c1 ZINC000036001810 523109179 /nfs/dbraw/zinc/10/91/79/523109179.db2.gz WYSQLUJSYAGHLF-UHFFFAOYSA-N 0 0 428.488 5.201 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCC(=O)c3ccc(C)s3)ccc2OC(F)F)cc1 ZINC000015598611 523111540 /nfs/dbraw/zinc/11/15/40/523111540.db2.gz FBFQRYXNHBSAHJ-UHFFFAOYSA-N 0 0 445.487 5.935 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc2OC)cc1 ZINC000012909795 523111750 /nfs/dbraw/zinc/11/17/50/523111750.db2.gz IOLBSXIYKNOCLE-HSZRJFAPSA-N 0 0 433.504 5.181 50 0 IKAARN COc1ccc(-c2cc3ncnc(N4CCC[C@H]4c4nnc5n4CCCCC5)c3s2)cc1 ZINC000012881073 523124706 /nfs/dbraw/zinc/12/47/06/523124706.db2.gz VQISUCHPJHOTIW-IBGZPJMESA-N 0 0 446.580 5.026 50 0 IKAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)cc1OC ZINC000023428265 523138833 /nfs/dbraw/zinc/13/88/33/523138833.db2.gz XMCGOZDQKCKZKW-NQIIRXRSSA-N 0 0 447.579 5.501 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)Cc1c(C)nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1C ZINC000035477097 523155211 /nfs/dbraw/zinc/15/52/11/523155211.db2.gz CLUPXDGANYWTRM-OAQYLSRUSA-N 0 0 433.600 5.039 50 0 IKAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NC2CCCCCCC2)cc1 ZINC000033070560 523155956 /nfs/dbraw/zinc/15/59/56/523155956.db2.gz NYEFYIILPDOLIS-UHFFFAOYSA-N 0 0 438.597 5.035 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C4SCCS4)cc3)n2)cc1F ZINC000012622169 523170127 /nfs/dbraw/zinc/17/01/27/523170127.db2.gz GTBONRLKLHYFDK-UHFFFAOYSA-N 0 0 432.567 5.689 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1Br ZINC000017197051 523170522 /nfs/dbraw/zinc/17/05/22/523170522.db2.gz WPYKZWJICYTCDS-UHFFFAOYSA-N 0 0 447.354 5.621 50 0 IKAARN COc1ccc(-c2csc3nc(C)nc(-n4cnc(-c5ccccc5)c4)c23)cc1OC ZINC000012628710 523171007 /nfs/dbraw/zinc/17/10/07/523171007.db2.gz XXPOXFDFTMEKIK-UHFFFAOYSA-N 0 0 428.517 5.537 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)cc1 ZINC000020608211 523171146 /nfs/dbraw/zinc/17/11/46/523171146.db2.gz LSDRLAURSGIUKM-UHFFFAOYSA-N 0 0 438.456 5.038 50 0 IKAARN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCc4cccc(F)c4)cc2)CC(=O)O3)cc1 ZINC000012370974 523179982 /nfs/dbraw/zinc/17/99/82/523179982.db2.gz JGRASGBHBUCIIX-JOCHJYFZSA-N 0 0 444.462 5.244 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)Nc3ccc4c(c3)OCO4)c2)nc2ccccc21 ZINC000013347725 523181765 /nfs/dbraw/zinc/18/17/65/523181765.db2.gz AOCFDGTURFFWQH-UHFFFAOYSA-N 0 0 428.492 5.214 50 0 IKAARN COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)cc1 ZINC000033327399 523185169 /nfs/dbraw/zinc/18/51/69/523185169.db2.gz POCURNJYNOSWQK-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4Cl)c3)no2)cc1 ZINC000033327398 523186420 /nfs/dbraw/zinc/18/64/20/523186420.db2.gz VTZVWHTZBTXDBC-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CC[C@H]1CCc2c(c(-c3cccs3)nc3c(-c4ccc(OC)cc4)c(COC)nn32)C1 ZINC000035326062 523206703 /nfs/dbraw/zinc/20/67/03/523206703.db2.gz QABNDMVYDGXSCD-INIZCTEOSA-N 0 0 433.577 5.795 50 0 IKAARN CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1 ZINC000012796997 523207819 /nfs/dbraw/zinc/20/78/19/523207819.db2.gz OXYVGMZCIVUXNL-LBPRGKRZSA-N 0 0 425.381 5.281 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 ZINC000033129212 523218743 /nfs/dbraw/zinc/21/87/43/523218743.db2.gz VGUWPIJFVFDDQK-UHFFFAOYSA-N 0 0 445.450 5.237 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012873191 523221883 /nfs/dbraw/zinc/22/18/83/523221883.db2.gz XWRFLHCOCOBAGO-UHFFFAOYSA-N 0 0 430.360 5.590 50 0 IKAARN COc1ccc(-c2nc3c(cc2-c2nc4ccccc4[nH]2)c(C)nn3-c2ccccc2)cc1 ZINC000012578916 523227041 /nfs/dbraw/zinc/22/70/41/523227041.db2.gz XGPMMEIGFLEVQQ-UHFFFAOYSA-N 0 0 431.499 5.948 50 0 IKAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012759764 523229683 /nfs/dbraw/zinc/22/96/83/523229683.db2.gz UHRAPHFJYCGAQC-UHFFFAOYSA-N 0 0 439.770 5.158 50 0 IKAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1ccccc1C ZINC000012629944 523231630 /nfs/dbraw/zinc/23/16/30/523231630.db2.gz TYSXQXAUULUPJP-UHFFFAOYSA-N 0 0 449.605 5.436 50 0 IKAARN CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O ZINC000012797962 523242336 /nfs/dbraw/zinc/24/23/36/523242336.db2.gz DYOUGWARMWEMOF-INIZCTEOSA-N 0 0 449.601 5.289 50 0 IKAARN CCn1c(S[C@H]2CCCC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000012777389 523247156 /nfs/dbraw/zinc/24/71/56/523247156.db2.gz BAUKFQKZLRJPKC-QHCPKHFHSA-N 0 0 428.561 5.702 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4ccc(C(C)=O)cc4)n3)o2)cc1 ZINC000035446387 523252078 /nfs/dbraw/zinc/25/20/78/523252078.db2.gz GEKVYTZBQQMPAJ-UHFFFAOYSA-N 0 0 437.459 5.302 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4ccc(F)c(F)c4)n3)o2)cc1 ZINC000035446389 523252149 /nfs/dbraw/zinc/25/21/49/523252149.db2.gz OKILSVZVBKMGLA-UHFFFAOYSA-N 0 0 431.402 5.377 50 0 IKAARN CCn1c2cc(NC(=O)Nc3ccc(C)cc3Cl)c(N3CCCC3)cc2n(CC)c1=O ZINC000020991696 523257319 /nfs/dbraw/zinc/25/73/19/523257319.db2.gz ZNKOMKCMIIYNJL-UHFFFAOYSA-N 0 0 441.963 5.049 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C(C)C)cc1 ZINC000009664076 523260865 /nfs/dbraw/zinc/26/08/65/523260865.db2.gz LQDFCVCSYYYREF-UHFFFAOYSA-N 0 0 432.549 5.419 50 0 IKAARN COc1ccc(-c2nnc(SCCOc3c(Cl)cccc3Cl)o2)cc1OC ZINC000022144309 523262106 /nfs/dbraw/zinc/26/21/06/523262106.db2.gz GUDNJMAMTZAYBM-UHFFFAOYSA-N 0 0 427.309 5.232 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C2CCCCC2)cc1OC ZINC000035847471 523262792 /nfs/dbraw/zinc/26/27/92/523262792.db2.gz DNVCARFJYZCQRM-UHFFFAOYSA-N 0 0 444.000 6.413 50 0 IKAARN COCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000020321606 523264150 /nfs/dbraw/zinc/26/41/50/523264150.db2.gz ZNFGGVJZDMHNNP-UHFFFAOYSA-N 0 0 428.941 5.683 50 0 IKAARN CCn1c2ccccc2c(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c1-c1ccccc1 ZINC000035529687 523272130 /nfs/dbraw/zinc/27/21/30/523272130.db2.gz MLIBGEMVPBAMMK-UHFFFAOYSA-N 0 0 441.550 5.472 50 0 IKAARN CCn1c2ccccc2c(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1-c1ccccc1 ZINC000012549324 523272853 /nfs/dbraw/zinc/27/28/53/523272853.db2.gz RTPFQQLXLLVQDX-UHFFFAOYSA-N 0 0 442.515 5.515 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccoc4C)o3)ccc21 ZINC000016448901 523275404 /nfs/dbraw/zinc/27/54/04/523275404.db2.gz FOIKCOJVLMMDSB-UHFFFAOYSA-N 0 0 432.505 5.497 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nnc(C4CC4)n3C3CC3)ccc21 ZINC000017280163 523277904 /nfs/dbraw/zinc/27/79/04/523277904.db2.gz GOVFBOBMRDNMCW-HNNXBMFYSA-N 0 0 445.592 5.738 50 0 IKAARN COc1ccc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)cc1OC ZINC000021730655 523279199 /nfs/dbraw/zinc/27/91/99/523279199.db2.gz FPJPTDVEZSNHBI-UHFFFAOYSA-N 0 0 443.528 6.248 50 0 IKAARN COc1ccc(-c2noc(CN(Cc3cccs3)Cc3cccs3)n2)cc1OC ZINC000012916432 523288088 /nfs/dbraw/zinc/28/80/88/523288088.db2.gz WUMODBHYOMQWQR-UHFFFAOYSA-N 0 0 427.551 5.079 50 0 IKAARN COc1ccc(-c2noc(Cc3nc(-c4ccc(Br)cc4)cs3)n2)cc1F ZINC000033298250 523296480 /nfs/dbraw/zinc/29/64/80/523296480.db2.gz KDEODWZRNQLXHY-UHFFFAOYSA-N 0 0 446.301 5.361 50 0 IKAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)cn1 ZINC000020615469 523299062 /nfs/dbraw/zinc/29/90/62/523299062.db2.gz CRAJSGYZFUQJBK-UHFFFAOYSA-N 0 0 427.430 5.209 50 0 IKAARN CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000033256020 523299942 /nfs/dbraw/zinc/29/99/42/523299942.db2.gz BLKTUOWSOWMVLC-UHFFFAOYSA-N 0 0 446.526 5.422 50 0 IKAARN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000035726452 523300207 /nfs/dbraw/zinc/30/02/07/523300207.db2.gz QZTLPNDLIZOCPC-OAHLLOKOSA-N 0 0 446.429 5.176 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2cccc(F)c2)cc1 ZINC000016954939 523308672 /nfs/dbraw/zinc/30/86/72/523308672.db2.gz HWQGCMPLCUDLLM-UHFFFAOYSA-N 0 0 431.492 5.307 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2cccc(C)c2)cc1 ZINC000017123020 523309020 /nfs/dbraw/zinc/30/90/20/523309020.db2.gz PNAKPJLEDOPHIQ-UHFFFAOYSA-N 0 0 427.529 5.476 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccs2)cc1 ZINC000015441670 523322128 /nfs/dbraw/zinc/32/21/28/523322128.db2.gz GKECULUJPLIYKU-UHFFFAOYSA-N 0 0 425.510 5.119 50 0 IKAARN COc1ccc(-n2c(SCc3cc(F)ccc3F)nnc2-c2ccccc2OC)cc1 ZINC000035848698 523322141 /nfs/dbraw/zinc/32/21/41/523322141.db2.gz OBXXJNNFGWKMFU-UHFFFAOYSA-N 0 0 439.487 5.522 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000015980389 523324752 /nfs/dbraw/zinc/32/47/52/523324752.db2.gz CFRDATQJYKCHRC-UHFFFAOYSA-N 0 0 440.471 5.611 50 0 IKAARN CCn1cc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)c(=O)c2ccc(C)nc21 ZINC000012598638 523325496 /nfs/dbraw/zinc/32/54/96/523325496.db2.gz YTZGHTHDDHVJPZ-LJQANCHMSA-N 0 0 445.588 5.060 50 0 IKAARN CCn1cc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)c(=O)c2ccc(C)nc21 ZINC000012598637 523325893 /nfs/dbraw/zinc/32/58/93/523325893.db2.gz YTZGHTHDDHVJPZ-IBGZPJMESA-N 0 0 445.588 5.060 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccs1)CCCC3 ZINC000033042734 523337078 /nfs/dbraw/zinc/33/70/78/523337078.db2.gz ICOPTODBHKFYFA-NRFANRHFSA-N 0 0 441.622 5.130 50 0 IKAARN COc1ccc(-n2nc(-c3ccc(C)cc3)c3cnc4cc(OC)c(OC)cc4c32)cc1 ZINC000021017684 523340558 /nfs/dbraw/zinc/34/05/58/523340558.db2.gz QCNXQGIBIUBILF-UHFFFAOYSA-N 0 0 425.488 5.575 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(OC)c(OC)c2)cc3C(F)F)cc1 ZINC000020602802 523345470 /nfs/dbraw/zinc/34/54/70/523345470.db2.gz RYCMMYUQDWUKBZ-UHFFFAOYSA-N 0 0 425.435 5.359 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000036616588 523345506 /nfs/dbraw/zinc/34/55/06/523345506.db2.gz RGRAXBUDYKKGFR-UHFFFAOYSA-N 0 0 441.318 5.605 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc4c(c2)OCCO4)cc3C(F)(F)F)cc1 ZINC000020604680 523346126 /nfs/dbraw/zinc/34/61/26/523346126.db2.gz NZZSQZYDVIJQFK-UHFFFAOYSA-N 0 0 441.409 5.195 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)cc1 ZINC000020615456 523347035 /nfs/dbraw/zinc/34/70/35/523347035.db2.gz OESCGXIBZYZOKU-UHFFFAOYSA-N 0 0 427.401 6.131 50 0 IKAARN COc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 ZINC000012651157 523349942 /nfs/dbraw/zinc/34/99/42/523349942.db2.gz UFMXZWMHXUICQJ-UHFFFAOYSA-N 0 0 428.879 5.488 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 ZINC000012858115 523373189 /nfs/dbraw/zinc/37/31/89/523373189.db2.gz PHWGXFWBBUOPSR-SNVBAGLBSA-N 0 0 437.462 5.804 50 0 IKAARN COc1ccc(/C=C(/NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)NCc2ccccc2)cc1 ZINC000002995771 523381313 /nfs/dbraw/zinc/38/13/13/523381313.db2.gz QJVNPLANQPKFMK-XIEYBQDHSA-N 0 0 442.559 5.080 50 0 IKAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c2ccccc2O1 ZINC000020489440 523392927 /nfs/dbraw/zinc/39/29/27/523392927.db2.gz LTPNQXXARRTPNA-JOCHJYFZSA-N 0 0 435.568 5.258 50 0 IKAARN COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCc2ccccc2F)cc1 ZINC000035152997 523410984 /nfs/dbraw/zinc/41/09/84/523410984.db2.gz DADLAWOKTGTBAO-MNDPQUGUSA-N 0 0 439.486 6.226 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2CN(C2CCCCC2)C1=O ZINC000035886506 523419812 /nfs/dbraw/zinc/41/98/12/523419812.db2.gz MZOBBBSYBMARLC-OAQYLSRUSA-N 0 0 441.959 5.816 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882661 523421461 /nfs/dbraw/zinc/42/14/61/523421461.db2.gz WGIJIKIFAMFIFC-LOSJGSFVSA-N 0 0 440.543 5.516 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)c(Cl)c1)CCCC3 ZINC000015735659 523438227 /nfs/dbraw/zinc/43/82/27/523438227.db2.gz HPRJKZKWLIIFTQ-FQEVSTJZSA-N 0 0 440.012 6.878 50 0 IKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000021889989 523439068 /nfs/dbraw/zinc/43/90/68/523439068.db2.gz CDLBLEDJBSNPSP-SFHVURJKSA-N 0 0 425.916 5.647 50 0 IKAARN CCn1cc([C@@H](CNC(=O)Nc2ccc(OC)cc2OC)c2cccnc2)c2ccccc21 ZINC000033267813 523461612 /nfs/dbraw/zinc/46/16/12/523461612.db2.gz BYNAHDNZYJBVAI-NRFANRHFSA-N 0 0 444.535 5.027 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@@H](C)c2ccccc2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035872101 523461775 /nfs/dbraw/zinc/46/17/75/523461775.db2.gz IDMHUGFHXOFBBQ-CYFREDJKSA-N 0 0 430.979 6.714 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@@H](C)c2ccccc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872219 523462333 /nfs/dbraw/zinc/46/23/33/523462333.db2.gz DTKUTDXXBKKWEE-CVDCTZTESA-N 0 0 440.543 5.789 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2cccc(F)c2)c2ccccc21 ZINC000035872423 523462746 /nfs/dbraw/zinc/46/27/46/523462746.db2.gz BSKOHIPIOBBJNR-LVXARBLLSA-N 0 0 442.578 6.460 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(C)cc2)c2ccccc21 ZINC000035872140 523477788 /nfs/dbraw/zinc/47/77/88/523477788.db2.gz XXXKNIFDHTVEOB-WNCULLNHSA-N 0 0 438.615 6.629 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000012368069 523480173 /nfs/dbraw/zinc/48/01/73/523480173.db2.gz FWNAUSHZTDGHIX-UHFFFAOYSA-N 0 0 442.153 5.748 50 0 IKAARN CN(Cc1ccsc1)C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000012547360 523483582 /nfs/dbraw/zinc/48/35/82/523483582.db2.gz ISMNYEULNYOJLW-UHFFFAOYSA-N 0 0 431.633 5.679 50 0 IKAARN COc1ccc(Br)cc1-c1nc(COc2ccc(C(C)=O)cc2OC)cs1 ZINC000016655162 523486457 /nfs/dbraw/zinc/48/64/57/523486457.db2.gz VDEOSSOERCALLF-UHFFFAOYSA-N 0 0 448.338 5.371 50 0 IKAARN COc1ccc(Br)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000015016858 523487324 /nfs/dbraw/zinc/48/73/24/523487324.db2.gz YDUWLUHIHQNHKP-RXVVDRJESA-N 0 0 441.350 5.762 50 0 IKAARN COc1ccc(Br)cc1C1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)O1 ZINC000020615980 523494386 /nfs/dbraw/zinc/49/43/86/523494386.db2.gz MONAEZKOVQTARD-NSIKDUERSA-N 0 0 427.081 5.109 50 0 IKAARN COCCCn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605247 523501830 /nfs/dbraw/zinc/50/18/30/523501830.db2.gz DTGVVYHONLHVSB-UHFFFAOYSA-N 0 0 446.306 5.402 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc(-c3cccc(OC)c3)on2)Cc2ccccc2)cc1 ZINC000036005549 523614435 /nfs/dbraw/zinc/61/44/35/523614435.db2.gz IYBOPYOVNQFEDE-UHFFFAOYSA-N 0 0 428.488 5.201 50 0 IKAARN CN(Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C(c1ccccc1)c1ccccc1 ZINC000012809108 523616899 /nfs/dbraw/zinc/61/68/99/523616899.db2.gz AANCJJBZODQGFK-UHFFFAOYSA-N 0 0 427.577 5.490 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000021715440 523665090 /nfs/dbraw/zinc/66/50/90/523665090.db2.gz OBCYZBFYZLRGTP-VWLOTQADSA-N 0 0 430.479 5.112 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000012430888 523665602 /nfs/dbraw/zinc/66/56/02/523665602.db2.gz CMRBUABIGWQOSI-JOCHJYFZSA-N 0 0 440.421 5.576 50 0 IKAARN CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000020180378 523674793 /nfs/dbraw/zinc/67/47/93/523674793.db2.gz QQXNSWJGGGHQTE-STZFKDTASA-N 0 0 426.969 5.512 50 0 IKAARN CCc1c(C(=O)NCc2ccccn2)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035981247 523695954 /nfs/dbraw/zinc/69/59/54/523695954.db2.gz WKCVHBFSHSBVIJ-UHFFFAOYSA-N 0 0 431.367 5.265 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(OC)cc1)[C@@H]2c1ccc(OC)cc1 ZINC000021048257 523718706 /nfs/dbraw/zinc/71/87/06/523718706.db2.gz MQRYERVDHWWPTG-HSZRJFAPSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2nc(-c3ccc(C(=O)N(C)Cc4ccc(C)cc4)cc3)[nH]c(=O)c12 ZINC000012904627 523721300 /nfs/dbraw/zinc/72/13/00/523721300.db2.gz YUUCUBWDRINSTB-UHFFFAOYSA-N 0 0 431.561 5.103 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)C(C)C ZINC000035980413 523735956 /nfs/dbraw/zinc/73/59/56/523735956.db2.gz VINILVJZSQBKQQ-UHFFFAOYSA-N 0 0 441.959 5.164 50 0 IKAARN COCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)C(=O)C(C)C ZINC000035975439 523737916 /nfs/dbraw/zinc/73/79/16/523737916.db2.gz KFCQDRKSEYZSEQ-UHFFFAOYSA-N 0 0 441.959 5.257 50 0 IKAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)C(C)C ZINC000035980119 523738027 /nfs/dbraw/zinc/73/80/27/523738027.db2.gz IQVNWASIFQNZEU-UHFFFAOYSA-N 0 0 441.959 5.257 50 0 IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000017042325 523740745 /nfs/dbraw/zinc/74/07/45/523740745.db2.gz KKOOWYAESQVHCM-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1OC ZINC000021363040 523746708 /nfs/dbraw/zinc/74/67/08/523746708.db2.gz ZUOAGSHWRYBYRT-UHFFFAOYSA-N 0 0 428.488 5.895 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc2ccccc2cc1OC ZINC000016134006 523759513 /nfs/dbraw/zinc/75/95/13/523759513.db2.gz ZTHHPOHJVMZZFC-UHFFFAOYSA-N 0 0 426.472 5.362 50 0 IKAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)c(OC)c1 ZINC000020599330 523775531 /nfs/dbraw/zinc/77/55/31/523775531.db2.gz XJWNEELORZHWQF-QGZVFWFLSA-N 0 0 440.540 5.061 50 0 IKAARN COc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(C)cc4)cs3)c3ccccn32)cc1 ZINC000020441939 523779318 /nfs/dbraw/zinc/77/93/18/523779318.db2.gz GOOOINFYLRMDFY-UHFFFAOYSA-N 0 0 439.540 5.860 50 0 IKAARN COc1ccc(C(=O)[C@H]2CCCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)c(OC)c1 ZINC000020599331 523779449 /nfs/dbraw/zinc/77/94/49/523779449.db2.gz XJWNEELORZHWQF-KRWDZBQOSA-N 0 0 440.540 5.061 50 0 IKAARN COc1ccc(C(=O)c2sc(-c3c(C)nc4sccn43)nc2-c2ccccc2)cc1 ZINC000015912999 523781152 /nfs/dbraw/zinc/78/11/52/523781152.db2.gz KSLOHVWIHHCFEB-UHFFFAOYSA-N 0 0 431.542 5.734 50 0 IKAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1c(SCc2cccc(C)c2)nc2cccnc21 ZINC000020532372 523783342 /nfs/dbraw/zinc/78/33/42/523783342.db2.gz LAUQJKMIMVJAJM-HSZRJFAPSA-N 0 0 444.604 5.608 50 0 IKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)cc1OC ZINC000035325953 523783451 /nfs/dbraw/zinc/78/34/51/523783451.db2.gz AWNSWWICKWQHDF-UHFFFAOYSA-N 0 0 445.544 5.068 50 0 IKAARN CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023433132 523787061 /nfs/dbraw/zinc/78/70/61/523787061.db2.gz KOHGJOGHMFPHHO-UHFFFAOYSA-N 0 0 438.571 6.286 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000012934897 523786976 /nfs/dbraw/zinc/78/69/76/523786976.db2.gz XYMRCMWISOVXFZ-UHFFFAOYSA-N 0 0 438.549 5.220 50 0 IKAARN CC[C@H](C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(OC)cc1)c1ccccc1 ZINC000023462490 523797034 /nfs/dbraw/zinc/79/70/34/523797034.db2.gz SSRSSJSVLSIDNF-QHCPKHFHSA-N 0 0 445.950 6.334 50 0 IKAARN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1ccc(C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000020617455 523797313 /nfs/dbraw/zinc/79/73/13/523797313.db2.gz YZAQCDOFWHFAEY-HXUWFJFHSA-N 0 0 445.350 5.649 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1)c1ccccc1 ZINC000035910309 523800764 /nfs/dbraw/zinc/80/07/64/523800764.db2.gz COGMERKBIQVTEV-JYFHCDHNSA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1)c1ccccc1 ZINC000035928572 523800954 /nfs/dbraw/zinc/80/09/54/523800954.db2.gz PRETUWQYRIUSNZ-NVQXNPDNSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1 ZINC000035927281 523801769 /nfs/dbraw/zinc/80/17/69/523801769.db2.gz GZWPVKNORPGCTN-DHLKQENFSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@H](C)O2)c1ccccc1 ZINC000035873169 523802262 /nfs/dbraw/zinc/80/22/62/523802262.db2.gz KADQTGBJZLUPNG-CYFREDJKSA-N 0 0 428.532 5.129 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@@H](C)O2)c1ccccc1 ZINC000035873174 523802359 /nfs/dbraw/zinc/80/23/59/523802359.db2.gz KADQTGBJZLUPNG-DVECYGJZSA-N 0 0 428.532 5.129 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1ccccc1 ZINC000035886181 523802618 /nfs/dbraw/zinc/80/26/18/523802618.db2.gz KSFVGIXZVNQZMG-QHCPKHFHSA-N 0 0 448.950 5.394 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1 ZINC000035927307 523804133 /nfs/dbraw/zinc/80/41/33/523804133.db2.gz AQVXXUGRNZSBCC-WIOPSUGQSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1C)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532404 523804686 /nfs/dbraw/zinc/80/46/86/523804686.db2.gz HWZYAADWOKPEOL-OAQYLSRUSA-N 0 0 434.540 5.761 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(C)c2)c1)c1ccccc1 ZINC000035910345 523804945 /nfs/dbraw/zinc/80/49/45/523804945.db2.gz CKBODVNLFRWDGE-JYFHCDHNSA-N 0 0 430.573 5.906 50 0 IKAARN COc1ccc(C)cc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000012808780 523808600 /nfs/dbraw/zinc/80/86/00/523808600.db2.gz VRVFCLZDEHTZBQ-UHFFFAOYSA-N 0 0 427.504 5.301 50 0 IKAARN COc1ccc(C)cc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000035910157 523819350 /nfs/dbraw/zinc/81/93/50/523819350.db2.gz SAYOMCGFLJXJBK-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C)cc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000035910187 523819492 /nfs/dbraw/zinc/81/94/92/523819492.db2.gz MIENFGASUKGWPJ-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C)cc1 ZINC000021892876 523832461 /nfs/dbraw/zinc/83/24/61/523832461.db2.gz VFJOCXHQSLXTIW-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000009544590 523839248 /nfs/dbraw/zinc/83/92/48/523839248.db2.gz SWACCOFGXYFCIN-JOCHJYFZSA-N 0 0 429.347 5.780 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2n1CCOc1ccccc1)c1ccc(F)cc1 ZINC000033050522 523840764 /nfs/dbraw/zinc/84/07/64/523840764.db2.gz CDQCFOVEZDQDNO-UHFFFAOYSA-N 0 0 435.524 5.010 50 0 IKAARN CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000012537120 523842262 /nfs/dbraw/zinc/84/22/62/523842262.db2.gz YOCZKRQROKXSDJ-UHFFFAOYSA-N 0 0 448.979 5.261 50 0 IKAARN COc1ccc(C)cc1Nc1nc(-c2nnc(-c3ccc(Cl)cc3)o2)nc2ccccc21 ZINC000035446410 523845496 /nfs/dbraw/zinc/84/54/96/523845496.db2.gz OWCHSKKTLLPWCL-UHFFFAOYSA-N 0 0 443.894 6.061 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1 ZINC000000997055 523852944 /nfs/dbraw/zinc/85/29/44/523852944.db2.gz ARHDUYCRURUJQG-UHFFFAOYSA-N 0 0 439.534 5.566 50 0 IKAARN CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cc(C)ccc4C)c3n2)cc1 ZINC000020604212 523854434 /nfs/dbraw/zinc/85/44/34/523854434.db2.gz RECLVKMAAYCILL-UHFFFAOYSA-N 0 0 437.515 6.227 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)CSc3nccn3-c3ccc(C)cc3C)n2)cc1 ZINC000012546462 523857290 /nfs/dbraw/zinc/85/72/90/523857290.db2.gz ZKPYGIBIKOZPFV-UHFFFAOYSA-N 0 0 448.617 5.906 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000020996445 523861473 /nfs/dbraw/zinc/86/14/73/523861473.db2.gz LBGUACRPKLUFRE-UHFFFAOYSA-N 0 0 434.543 6.069 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NCCc2ccc(SC)cc2)cc1 ZINC000020579169 523867975 /nfs/dbraw/zinc/86/79/75/523867975.db2.gz DXXDCAAZYXJBPU-UHFFFAOYSA-N 0 0 444.604 5.294 50 0 IKAARN COc1ccc(C2=Nc3ccc(OC)cc3N=C(c3cccc(C(F)(F)F)c3)N2)cc1 ZINC000020868443 523873908 /nfs/dbraw/zinc/87/39/08/523873908.db2.gz RKLPDSXUIVLWTE-UHFFFAOYSA-N 0 0 425.410 5.673 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@H](c3ccccc3)C2)cc1 ZINC000035061777 523876887 /nfs/dbraw/zinc/87/68/87/523876887.db2.gz WAPXVSRYLDJVAD-QFIPXVFZSA-N 0 0 435.321 5.449 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012195802 523878482 /nfs/dbraw/zinc/87/84/82/523878482.db2.gz LDMWKTXETIJEGU-JTHBVZDNSA-N 0 0 426.850 5.869 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000012197060 523878758 /nfs/dbraw/zinc/87/87/58/523878758.db2.gz IELBFTGGLDGNHY-UKILVPOCSA-N 0 0 432.545 5.668 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000012124383 523879864 /nfs/dbraw/zinc/87/98/64/523879864.db2.gz APXHILLUAHEILA-XNMGPUDCSA-N 0 0 442.559 6.244 50 0 IKAARN COCCN1c2ccc(NC(=O)c3cccc4[nH]ccc43)cc2Sc2ccccc2C1=O ZINC000021355435 523888468 /nfs/dbraw/zinc/88/84/68/523888468.db2.gz MALIEUIUQWAIDO-UHFFFAOYSA-N 0 0 443.528 5.178 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3C)c2)cc1 ZINC000035912242 523896002 /nfs/dbraw/zinc/89/60/02/523896002.db2.gz FDUWHHWJAQVFMZ-AREMUKBSSA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(F)c3C)cc2)cc1 ZINC000035925268 523896010 /nfs/dbraw/zinc/89/60/10/523896010.db2.gz PPJLSWYIOKINAG-VWLOTQADSA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(CC)cc3)cc2)cc1 ZINC000035912441 523896371 /nfs/dbraw/zinc/89/63/71/523896371.db2.gz DMBHHOAIGHIGOG-AREMUKBSSA-N 0 0 430.573 5.842 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cc(C)ccc3F)cc2)cc1 ZINC000035928020 523896555 /nfs/dbraw/zinc/89/65/55/523896555.db2.gz FRMQWNRIJQHCIW-RUZDIDTESA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(OC)c3)c2)cc1 ZINC000035927263 523896630 /nfs/dbraw/zinc/89/66/30/523896630.db2.gz APUPNUVNPHUPIZ-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000033716077 523903346 /nfs/dbraw/zinc/90/33/46/523903346.db2.gz RDFUGQISSOZDLX-ISKFKSNPSA-N 0 0 439.397 6.461 50 0 IKAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1cccc(Cl)c1 ZINC000021166696 523924281 /nfs/dbraw/zinc/92/42/81/523924281.db2.gz WYUJNAPRMACTBM-UHFFFAOYSA-N 0 0 438.357 5.286 50 0 IKAARN CN1CCN(c2cc(Cl)c(Oc3ncc(C(F)(F)F)cc3Cl)c(Cl)c2)C1=O ZINC000022996677 523924778 /nfs/dbraw/zinc/92/47/78/523924778.db2.gz JVDPNPNHTRGMRC-UHFFFAOYSA-N 0 0 440.636 5.725 50 0 IKAARN CN(C(=O)c1ccc(NC=C2N=C(c3cccc4ccccc43)OC2=O)cc1)c1ccccc1 ZINC000020616278 523935490 /nfs/dbraw/zinc/93/54/90/523935490.db2.gz VUNLEFKQHYMRHI-XIEYBQDHSA-N 0 0 447.494 5.373 50 0 IKAARN COc1ccc(CCCNC(=O)c2cncn2-c2ccc(-c3cc(C)cc(C)c3)cc2)cc1 ZINC000023447091 523937844 /nfs/dbraw/zinc/93/78/44/523937844.db2.gz OUKCLPLAWOBHBD-UHFFFAOYSA-N 0 0 439.559 5.527 50 0 IKAARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@H]1C=C[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC000023330476 523938481 /nfs/dbraw/zinc/93/84/81/523938481.db2.gz WGJGIICATZSTRQ-HTZUNMPGSA-N 0 0 441.886 5.165 50 0 IKAARN CCc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)cc1 ZINC000033049010 523939510 /nfs/dbraw/zinc/93/95/10/523939510.db2.gz XNPSDKNLYNJLMU-UHFFFAOYSA-N 0 0 427.573 5.500 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)C1CC1 ZINC000035980508 523940114 /nfs/dbraw/zinc/94/01/14/523940114.db2.gz RKPLGILEYKNBIA-SFHVURJKSA-N 0 0 433.552 5.425 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000035945508 523941769 /nfs/dbraw/zinc/94/17/69/523941769.db2.gz COMVRVFRCGJVRM-SFHVURJKSA-N 0 0 442.579 5.709 50 0 IKAARN CC[C@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000035776446 523941791 /nfs/dbraw/zinc/94/17/91/523941791.db2.gz JPRYMSGWGDIIGH-IBGZPJMESA-N 0 0 437.561 5.133 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000035945242 523942511 /nfs/dbraw/zinc/94/25/11/523942511.db2.gz BCMGBMZMLBUPAD-SFHVURJKSA-N 0 0 441.591 5.707 50 0 IKAARN CC[C@H](C)N1C(=O)/C(=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S ZINC000001318846 523945783 /nfs/dbraw/zinc/94/57/83/523945783.db2.gz FPHOLZDVSPTEKR-HVCBDAARSA-N 0 0 442.993 5.257 50 0 IKAARN COc1ccc(CCN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000020610035 523951061 /nfs/dbraw/zinc/95/10/61/523951061.db2.gz YECZCKRFUNAOSD-UHFFFAOYSA-N 0 0 441.527 5.095 50 0 biogenic IKAARN CCc1ccc(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 ZINC000017861787 523961701 /nfs/dbraw/zinc/96/17/01/523961701.db2.gz LLNYBKHXLFRUPM-PXLXIMEGSA-N 0 0 436.433 5.908 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)COCc3ccccc3)cc2)cc1 ZINC000035912446 523961804 /nfs/dbraw/zinc/96/18/04/523961804.db2.gz JXOPTRRCLYHQQB-AREMUKBSSA-N 0 0 446.572 5.183 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@@H](CC)c3ccccc3)cc2)cc1 ZINC000035912420 523962087 /nfs/dbraw/zinc/96/20/87/523962087.db2.gz DXWQVPMBEQNACV-RPLLCQBOSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015672944 523963722 /nfs/dbraw/zinc/96/37/22/523963722.db2.gz XIOMRMDRPVQTKQ-SANMLTNESA-N 0 0 449.620 5.523 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676981 523963966 /nfs/dbraw/zinc/96/39/66/523963966.db2.gz UMGODCOSVHAGKJ-NDEPHWFRSA-N 0 0 443.591 5.462 50 0 IKAARN CCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000021882600 523971935 /nfs/dbraw/zinc/97/19/35/523971935.db2.gz OTIBGXWJTZLLNS-INIZCTEOSA-N 0 0 437.609 5.269 50 0 IKAARN COc1ccc(CCNC(=O)c2cnn3c2nc(-c2ccccc2)cc3-c2ccccc2)cc1 ZINC000021923267 523972773 /nfs/dbraw/zinc/97/27/73/523972773.db2.gz IIDOINMZGDXIKP-UHFFFAOYSA-N 0 0 448.526 5.044 50 0 biogenic IKAARN CCc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000001158824 523975374 /nfs/dbraw/zinc/97/53/74/523975374.db2.gz BZQOVZJKFKMDLJ-UHFFFAOYSA-N 0 0 429.549 5.304 50 0 IKAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 ZINC000021005934 523975471 /nfs/dbraw/zinc/97/54/71/523975471.db2.gz UQLWOPHKXPFBCE-DEOSSOPVSA-N 0 0 438.531 5.024 50 0 IKAARN CC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C)c1 ZINC000034889653 523975532 /nfs/dbraw/zinc/97/55/32/523975532.db2.gz VMQTUZXKXYAMLD-HFZDXXHNSA-N 0 0 442.578 6.574 50 0 IKAARN CC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000035815791 523975787 /nfs/dbraw/zinc/97/57/87/523975787.db2.gz YYGCYYGZXHSXQZ-WNCULLNHSA-N 0 0 438.615 6.743 50 0 IKAARN CC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000035815785 523975965 /nfs/dbraw/zinc/97/59/65/523975965.db2.gz YYGCYYGZXHSXQZ-HOFKKMOUSA-N 0 0 438.615 6.743 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000021536454 523983856 /nfs/dbraw/zinc/98/38/56/523983856.db2.gz CYJLTZFUFHJGCI-SANMLTNESA-N 0 0 443.497 6.455 50 0 IKAARN COc1ccc(CCn2c(C)c3c4cc(-c5ccc(C)o5)cn4nc(C)c3c2C)cc1OC ZINC000020445531 523986274 /nfs/dbraw/zinc/98/62/74/523986274.db2.gz KZZOAJIJUKAJLJ-UHFFFAOYSA-N 0 0 443.547 6.043 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 ZINC000041089710 523986498 /nfs/dbraw/zinc/98/64/98/523986498.db2.gz RUBYCFJUJQQAFR-UHFFFAOYSA-N 0 0 434.521 5.095 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000033067928 523986710 /nfs/dbraw/zinc/98/67/10/523986710.db2.gz YFMPDEATHASQQA-UHFFFAOYSA-N 0 0 442.519 5.097 50 0 IKAARN COc1ccc(CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C2CC2)cc1 ZINC000036760321 523989964 /nfs/dbraw/zinc/98/99/64/523989964.db2.gz GDWBWSCWDZYMAR-UHFFFAOYSA-N 0 0 426.969 5.130 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 ZINC000012564821 523990515 /nfs/dbraw/zinc/99/05/15/523990515.db2.gz TYUKSYAFNBGIEX-KRWDZBQOSA-N 0 0 431.561 5.716 50 0 IKAARN CCc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000015859095 523994316 /nfs/dbraw/zinc/99/43/16/523994316.db2.gz BANVEKOVCQYVIO-UHFFFAOYSA-N 0 0 442.950 6.077 50 0 IKAARN CN1CCc2c(sc3nc(SCc4ccccc4)nc(SCc4ccccc4)c23)C1 ZINC000020813378 523995155 /nfs/dbraw/zinc/99/51/55/523995155.db2.gz CXRKIFSIOUEEDX-UHFFFAOYSA-N 0 0 449.670 6.264 50 0 IKAARN CC[C@H](C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000036003181 524001271 /nfs/dbraw/zinc/00/12/71/524001271.db2.gz MXSAFVVHHLXBDE-IBGZPJMESA-N 0 0 446.570 5.270 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2[C@H](C)c2ccccc2)cc1 ZINC000012598765 524007607 /nfs/dbraw/zinc/00/76/07/524007607.db2.gz LOHUTKSMHQHTMV-GOSISDBHSA-N 0 0 437.609 5.736 50 0 IKAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)C2CCCCC2)c1C ZINC000036005069 524023365 /nfs/dbraw/zinc/02/33/65/524023365.db2.gz OUHWFJGVMSXICB-INIZCTEOSA-N 0 0 444.959 5.118 50 0 IKAARN CN1c2ccc(-c3noc(COc4ccc(F)cc4)n3)cc2Sc2ccccc2C1=O ZINC000035453774 524031839 /nfs/dbraw/zinc/03/18/39/524031839.db2.gz RNYZYOAUQSTQEY-UHFFFAOYSA-N 0 0 433.464 5.196 50 0 IKAARN CN(C)C1(c2nnnn2[C@@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCCC1 ZINC000012381217 524038085 /nfs/dbraw/zinc/03/80/85/524038085.db2.gz DLXBMYSXNLRWTC-XASXRRJKSA-N 0 0 436.431 6.002 50 0 IKAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1C ZINC000016672228 524038691 /nfs/dbraw/zinc/03/86/91/524038691.db2.gz KXKYFAHXSWOUGD-SANMLTNESA-N 0 0 437.967 5.822 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021536679 524056644 /nfs/dbraw/zinc/05/66/44/524056644.db2.gz FZVDMLBFKBCTOV-SANMLTNESA-N 0 0 425.507 6.316 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021892974 524056725 /nfs/dbraw/zinc/05/67/25/524056725.db2.gz APRKTTVMICAZIN-NDEPHWFRSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2CC)cc1 ZINC000021893047 524057100 /nfs/dbraw/zinc/05/71/00/524057100.db2.gz ZZXQMAKJHMOZQZ-NDEPHWFRSA-N 0 0 435.571 6.739 50 0 IKAARN CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 ZINC000012130189 524059676 /nfs/dbraw/zinc/05/96/76/524059676.db2.gz JYIWNOWFQQNUMD-RDGATRHJSA-N 0 0 429.907 5.251 50 0 IKAARN CCc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1 ZINC000012565620 524060118 /nfs/dbraw/zinc/06/01/18/524060118.db2.gz KFNACFRDFOWPSL-INIZCTEOSA-N 0 0 427.957 5.003 50 0 IKAARN CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(OC)c(OC)c3)sc2c1 ZINC000015881794 524060231 /nfs/dbraw/zinc/06/02/31/524060231.db2.gz FSXSWIDRXKYYPO-UHFFFAOYSA-N 0 0 433.533 5.118 50 0 IKAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000020904320 524063487 /nfs/dbraw/zinc/06/34/87/524063487.db2.gz XZVLZORVPNJPLM-DNQXCXABSA-N 0 0 448.588 5.010 50 0 IKAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000020904324 524063599 /nfs/dbraw/zinc/06/35/99/524063599.db2.gz XZVLZORVPNJPLM-RPWUZVMVSA-N 0 0 448.588 5.010 50 0 IKAARN COc1ccc(CNC(=O)[C@H](C)Sc2nnc(Nc3cccc(Cl)c3C)s2)cc1 ZINC000012780894 524063894 /nfs/dbraw/zinc/06/38/94/524063894.db2.gz SYKGMYCATZFXMT-ZDUSSCGKSA-N 0 0 449.001 5.049 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc21 ZINC000017094907 524065556 /nfs/dbraw/zinc/06/55/56/524065556.db2.gz MKGVXSWVKLBXQY-UHFFFAOYSA-N 0 0 426.516 6.042 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)cc1 ZINC000015682107 524066044 /nfs/dbraw/zinc/06/60/44/524066044.db2.gz OETRZMFEYIXLNB-UHFFFAOYSA-N 0 0 442.515 5.476 50 0 IKAARN COc1ccc(CNC(=O)c2ccccc2COc2cc(C)ccc2C(C)C)cc1OC ZINC000012447316 524067468 /nfs/dbraw/zinc/06/74/68/524067468.db2.gz ROOXVMBDIWXQIP-UHFFFAOYSA-N 0 0 433.548 5.645 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)COc3ccccc3)cc2)c1 ZINC000035928717 524071347 /nfs/dbraw/zinc/07/13/47/524071347.db2.gz XEHXDJFEZXWSEQ-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000035928719 524071372 /nfs/dbraw/zinc/07/13/72/524071372.db2.gz OZKDRUJMIQDARF-AREMUKBSSA-N 0 0 430.573 5.599 50 0 IKAARN CCc1cccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCCC(C)C)c1 ZINC000021911740 524071463 /nfs/dbraw/zinc/07/14/63/524071463.db2.gz ZCRPUQIWWYOOLI-XMMPIXPASA-N 0 0 449.620 5.083 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c1 ZINC000035928760 524071487 /nfs/dbraw/zinc/07/14/87/524071487.db2.gz AJWYDHAWTZHKRZ-SANMLTNESA-N 0 0 430.573 5.599 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@H](CC)c3ccccc3)c2)c1 ZINC000035928780 524071517 /nfs/dbraw/zinc/07/15/17/524071517.db2.gz QVGHKYPBFWMPRT-SHQCIBLASA-N 0 0 444.600 6.160 50 0 IKAARN CNC(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)C/C2=C\c1cccs1 ZINC000032939962 524074777 /nfs/dbraw/zinc/07/47/77/524074777.db2.gz MYYCJYUYCBBNOW-MAUBAPBLSA-N 0 0 448.588 5.348 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 ZINC000013145837 524088654 /nfs/dbraw/zinc/08/86/54/524088654.db2.gz IUKLVEXLSTZUQX-SJORKVTESA-N 0 0 427.595 5.166 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4C)n3)nc2c1 ZINC000021721803 524097504 /nfs/dbraw/zinc/09/75/04/524097504.db2.gz XGVGARRHLBDDJP-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(C)cc3NC(=O)Nc3ccccc3)C2=O)c1 ZINC000034737500 524101981 /nfs/dbraw/zinc/10/19/81/524101981.db2.gz HUKGJKTWAFRKIV-UHFFFAOYSA-N 0 0 442.563 6.088 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)c4cccc(F)c4)cc3)C2=O)c1 ZINC000034736757 524102190 /nfs/dbraw/zinc/10/21/90/524102190.db2.gz FREFBYPOXQYFOX-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S(=O)(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000020618558 524104633 /nfs/dbraw/zinc/10/46/33/524104633.db2.gz XHSMXMVVGSJGLF-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN COc1ccc(CNc2nc(C)c(-c3ccn(Cc4ccccc4F)n3)s2)c(OC)c1 ZINC000012191545 524105359 /nfs/dbraw/zinc/10/53/59/524105359.db2.gz BMJQJHRLHUMSCV-UHFFFAOYSA-N 0 0 438.528 5.132 50 0 IKAARN Cc1ccc(C)c(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c1 ZINC000012863524 524105876 /nfs/dbraw/zinc/10/58/76/524105876.db2.gz BQNOZWXAYRTLFO-MRSBXDGLSA-N 0 0 436.548 6.070 50 0 IKAARN C[C@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)c3n2)C1 ZINC000017245587 524105948 /nfs/dbraw/zinc/10/59/48/524105948.db2.gz RBGNQCOCBYDSDG-INIZCTEOSA-N 0 0 443.469 5.507 50 0 IKAARN Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035840007 524107491 /nfs/dbraw/zinc/10/74/91/524107491.db2.gz LTNFQEZFHVVQHH-UHFFFAOYSA-N 0 0 429.467 6.455 50 0 IKAARN C[C@H]1CCCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccc(Cl)cc32)C1 ZINC000020859593 524107844 /nfs/dbraw/zinc/10/78/44/524107844.db2.gz IHCQIKOTOOEYFZ-ZDUSSCGKSA-N 0 0 445.876 5.853 50 0 IKAARN COc1ccc(CNc2nnc(SCC(=O)Nc3cccc4ccccc43)s2)cc1 ZINC000013128245 524108372 /nfs/dbraw/zinc/10/83/72/524108372.db2.gz ZBXMCIARXGREMZ-UHFFFAOYSA-N 0 0 436.562 5.043 50 0 IKAARN Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 ZINC000014992354 524110415 /nfs/dbraw/zinc/11/04/15/524110415.db2.gz BMADPUCVZFCHOC-HSZRJFAPSA-N 0 0 438.575 5.576 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400552 524112249 /nfs/dbraw/zinc/11/22/49/524112249.db2.gz INGQAZPKHHYNPG-UHFFFAOYSA-N 0 0 445.925 5.857 50 0 IKAARN Cc1ccc(C)c(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(C)c(F)c3)c2=O)c1 ZINC000020859833 524112362 /nfs/dbraw/zinc/11/23/62/524112362.db2.gz NOTPAQHYKAJSNK-UHFFFAOYSA-N 0 0 444.531 5.480 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(C[C@@H](C)c4ccccc4)c(=O)c32)c1 ZINC000035400511 524112604 /nfs/dbraw/zinc/11/26/04/524112604.db2.gz NAULQKXKMZKHRH-HXUWFJFHSA-N 0 0 439.534 5.959 50 0 IKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)nc2)c1 ZINC000035514257 524113397 /nfs/dbraw/zinc/11/33/97/524113397.db2.gz BWJWBAFGZMAHHO-SANMLTNESA-N 0 0 434.543 6.003 50 0 IKAARN C[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(-c2ccccc2)c(F)c1 ZINC000012390383 524113998 /nfs/dbraw/zinc/11/39/98/524113998.db2.gz ZINZFFJYSLIRTO-WIYYLYMNSA-N 0 0 428.511 5.045 50 0 IKAARN COc1cccc([C@@H]2CCCCN2Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)c1 ZINC000012465572 524114493 /nfs/dbraw/zinc/11/44/93/524114493.db2.gz WWPHNDFOQLLFME-FQEVSTJZSA-N 0 0 431.458 5.415 50 0 IKAARN Cc1ccc(C)c(Cn2ccnc2CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)c1 ZINC000035979523 524114626 /nfs/dbraw/zinc/11/46/26/524114626.db2.gz BKYVXCVZQALCNJ-UHFFFAOYSA-N 0 0 433.939 5.637 50 0 IKAARN Cc1cccc(-c2csc(-c3nc(-c4ccc(OC(C)C)cc4)no3)c2-n2cccc2)c1 ZINC000021730630 524116034 /nfs/dbraw/zinc/11/60/34/524116034.db2.gz RIJUVCQJUXULQJ-UHFFFAOYSA-N 0 0 441.556 7.018 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902805 524119169 /nfs/dbraw/zinc/11/91/69/524119169.db2.gz JNRVPWSRMPWPPH-HHHXNRCGSA-N 0 0 429.564 5.126 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902803 524119817 /nfs/dbraw/zinc/11/98/17/524119817.db2.gz JNRVPWSRMPWPPH-MHZLTWQESA-N 0 0 429.564 5.126 50 0 IKAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccco3)o2)c1 ZINC000012419145 524119815 /nfs/dbraw/zinc/11/98/15/524119815.db2.gz WLJWLFPVOASGKN-UHFFFAOYSA-N 0 0 428.897 5.341 50 0 IKAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000012871936 524126139 /nfs/dbraw/zinc/12/61/39/524126139.db2.gz RNIOYLWECOGFDE-ZDUSSCGKSA-N 0 0 435.380 5.117 50 0 IKAARN COc1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2C2CCCCC2)cc1 ZINC000035847532 524128513 /nfs/dbraw/zinc/12/85/13/524128513.db2.gz APWPZCGVTFDTGC-UHFFFAOYSA-N 0 0 439.581 5.768 50 0 IKAARN Cc1cccc(-n2c(=O)c3c(nc2SCCO)-c2ccccc2CC32CCCCC2)c1 ZINC000020894510 524135473 /nfs/dbraw/zinc/13/54/73/524135473.db2.gz OIRDLFUBKOLVDI-UHFFFAOYSA-N 0 0 432.589 5.050 50 0 biogenic IKAARN COc1cccc([C@@H]2c3cccn3CCN2C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000035818884 524135749 /nfs/dbraw/zinc/13/57/49/524135749.db2.gz XPJGAXWMPBYSEE-AREMUKBSSA-N 0 0 431.580 6.381 50 0 IKAARN Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCc2cn3ccccc3n2)CCC4)c1 ZINC000012650780 524136577 /nfs/dbraw/zinc/13/65/77/524136577.db2.gz CMSPUVXMMPMJBY-UHFFFAOYSA-N 0 0 444.585 5.184 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)cc2)c1 ZINC000020539141 524136774 /nfs/dbraw/zinc/13/67/74/524136774.db2.gz DSQAQLYBYFTLQQ-HHHXNRCGSA-N 0 0 425.532 5.283 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000034896500 524137533 /nfs/dbraw/zinc/13/75/33/524137533.db2.gz NORJLKQFPRGHIQ-IERDGZPVSA-N 0 0 431.985 5.484 50 0 IKAARN Cc1cccc(-n2c3nnc(SCCC(C)C)n3c3sc4c(c3c2=O)CCCC4)c1 ZINC000012650504 524140346 /nfs/dbraw/zinc/14/03/46/524140346.db2.gz DPLIAIACMGKEEY-UHFFFAOYSA-N 0 0 438.622 5.420 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725020 524141347 /nfs/dbraw/zinc/14/13/47/524141347.db2.gz SIZARVKKIMZYHG-BEFAXECRSA-N 0 0 444.522 6.713 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735156 524141627 /nfs/dbraw/zinc/14/16/27/524141627.db2.gz QTYWUYGCZNNOMK-WIZCCDFRSA-N 0 0 426.969 5.734 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NC[C@H](C)c4ccccc4)cc3NC2=O)c1 ZINC000020355285 524153592 /nfs/dbraw/zinc/15/35/92/524153592.db2.gz QPYYSGZKVDAWCR-MAKCPWPFSA-N 0 0 428.557 5.614 50 0 IKAARN COc1cccc([C@H](Nc2nc(-c3ccsc3)nc3ccccc32)c2nccn2C)c1 ZINC000017591202 524162357 /nfs/dbraw/zinc/16/23/57/524162357.db2.gz TXNMUIJHFVAUDY-NRFANRHFSA-N 0 0 427.533 5.302 50 0 IKAARN Cc1ccc(C)c(OCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 ZINC000012273890 524168163 /nfs/dbraw/zinc/16/81/63/524168163.db2.gz IWKUWVPQWQUYKF-UHFFFAOYSA-N 0 0 431.355 5.131 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735164 524170736 /nfs/dbraw/zinc/17/07/36/524170736.db2.gz QTYWUYGCZNNOMK-WJTYCREYSA-N 0 0 426.969 5.734 50 0 IKAARN COc1cccc([C@H]2CCCCN2Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)c1 ZINC000012465576 524175452 /nfs/dbraw/zinc/17/54/52/524175452.db2.gz WWPHNDFOQLLFME-HXUWFJFHSA-N 0 0 431.458 5.415 50 0 IKAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)c4ccccc4)c3N2)c1 ZINC000012844548 524183763 /nfs/dbraw/zinc/18/37/63/524183763.db2.gz LQVVRETYJPAIQE-KPOBHBOGSA-N 0 0 444.457 5.043 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cccs2)c1OC ZINC000012453453 524188423 /nfs/dbraw/zinc/18/84/23/524188423.db2.gz GNQIQGXWKXTQOD-VWLOTQADSA-N 0 0 446.572 5.354 50 0 IKAARN COc1ccc(Cl)cc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000020854349 524197083 /nfs/dbraw/zinc/19/70/83/524197083.db2.gz XBKJMXJIDYTGOZ-FQEVSTJZSA-N 0 0 437.858 5.057 50 0 IKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)c1 ZINC000012915820 524201662 /nfs/dbraw/zinc/20/16/62/524201662.db2.gz HCZGHGWFAGOSQV-UHFFFAOYSA-N 0 0 440.590 5.103 50 0 IKAARN Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c1 ZINC000021784340 524205454 /nfs/dbraw/zinc/20/54/54/524205454.db2.gz TWEKDZZHECVFAB-INIZCTEOSA-N 0 0 425.941 5.219 50 0 IKAARN Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 ZINC000021784332 524206528 /nfs/dbraw/zinc/20/65/28/524206528.db2.gz JYTCASUWZREIDZ-KRWDZBQOSA-N 0 0 425.941 5.219 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c1 ZINC000021784345 524210973 /nfs/dbraw/zinc/21/09/73/524210973.db2.gz TWEKDZZHECVFAB-MRXNPFEDSA-N 0 0 425.941 5.219 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1C ZINC000012803496 524211619 /nfs/dbraw/zinc/21/16/19/524211619.db2.gz RLPSETYJYPKQHQ-UHFFFAOYSA-N 0 0 426.585 6.896 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(F)c(F)c4)C3=O)cc2)c1 ZINC000037545146 524218180 /nfs/dbraw/zinc/21/81/80/524218180.db2.gz FBFMCMHZPVQDJT-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCc2ccc(C)cc2)C1 ZINC000012586649 524221854 /nfs/dbraw/zinc/22/18/54/524221854.db2.gz HMCVJIWAYYXURD-HXUWFJFHSA-N 0 0 442.987 5.247 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000020599548 524221879 /nfs/dbraw/zinc/22/18/79/524221879.db2.gz IZAIEQFTJLPDQY-AWEZNQCLSA-N 0 0 441.881 5.398 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000020560813 524228824 /nfs/dbraw/zinc/22/88/24/524228824.db2.gz AQDYPGMXOBYTHY-NRFANRHFSA-N 0 0 438.886 5.214 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3nc4ccccc4s3)[C@@H](c3ccco3)C2)cc1 ZINC000057286263 524231055 /nfs/dbraw/zinc/23/10/55/524231055.db2.gz PDSBRAFSHZLKQQ-OAQYLSRUSA-N 0 0 444.560 5.007 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CC(C)C)C2)cc1 ZINC000035835189 524234082 /nfs/dbraw/zinc/23/40/82/524234082.db2.gz VCFKYFAZOQJVQR-OAQYLSRUSA-N 0 0 432.486 5.582 50 0 IKAARN COc1cccc2c1OCCCN(Cc1nc(-c3ccc(C(F)(F)F)cc3)oc1C)C2 ZINC000012711615 524235121 /nfs/dbraw/zinc/23/51/21/524235121.db2.gz OYDSAQNYWNSOLR-UHFFFAOYSA-N 0 0 432.442 5.462 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(Br)cc2)cc1 ZINC000239439297 524235310 /nfs/dbraw/zinc/23/53/10/524235310.db2.gz ZSHJBMJNDPORCZ-QPPBQGQZSA-N 0 0 447.332 5.510 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CCCC3)C2)cc1 ZINC000035835179 524235546 /nfs/dbraw/zinc/23/55/46/524235546.db2.gz ZZXBINSGTYVOFC-QFIPXVFZSA-N 0 0 444.497 5.726 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914986 524239878 /nfs/dbraw/zinc/23/98/78/524239878.db2.gz COHHLDYRWMODFD-UHFFFAOYSA-N 0 0 449.938 5.438 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012139336 524241766 /nfs/dbraw/zinc/24/17/66/524241766.db2.gz LESINVYDMJFLPO-HXUWFJFHSA-N 0 0 441.600 5.973 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2nc1C(=O)c1ccc(Cl)cc1 ZINC000032959146 524242351 /nfs/dbraw/zinc/24/23/51/524242351.db2.gz VDWWODVEDKVUJG-GOSISDBHSA-N 0 0 445.950 5.058 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc(Cl)cc1 ZINC000035891418 524242985 /nfs/dbraw/zinc/24/29/85/524242985.db2.gz ONOUHFOSXDYUOJ-NLFFAJNJSA-N 0 0 445.006 6.491 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988148 524247930 /nfs/dbraw/zinc/24/79/30/524247930.db2.gz OIJLUVBRGHXCFG-OAQYLSRUSA-N 0 0 441.575 5.813 50 0 IKAARN COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)NCc3ccccc3)s1)C2 ZINC000020985576 524248430 /nfs/dbraw/zinc/24/84/30/524248430.db2.gz WWHIVXMZCULZOX-UHFFFAOYSA-N 0 0 443.528 5.526 50 0 IKAARN C[C@@H]1CCCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccc(Cl)cc32)C1 ZINC000020859588 524248483 /nfs/dbraw/zinc/24/84/83/524248483.db2.gz IHCQIKOTOOEYFZ-CYBMUJFWSA-N 0 0 445.876 5.853 50 0 IKAARN COc1cccc2cc(-c3cn4c5ccc(Oc6ccccc6)cc5sc4n3)c(=O)oc21 ZINC000020645663 524255013 /nfs/dbraw/zinc/25/50/13/524255013.db2.gz KLBFOCMOXPHAKG-UHFFFAOYSA-N 0 0 440.480 6.123 50 0 IKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)c(C)c1 ZINC000034736788 524260154 /nfs/dbraw/zinc/26/01/54/524260154.db2.gz LJJKINSXWGPYBD-UHFFFAOYSA-N 0 0 445.538 5.836 50 0 IKAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cc(C)cc(C)c3)oc21 ZINC000012437477 524260384 /nfs/dbraw/zinc/26/03/84/524260384.db2.gz HFNHPIPANWITRF-QPLCGJKRSA-N 0 0 433.529 5.432 50 0 IKAARN COc1ccccc1-c1c(C)oc2c(ccc3c2CN(CCc2cccs2)CO3)c1=O ZINC000020648614 524265691 /nfs/dbraw/zinc/26/56/91/524265691.db2.gz PZXWCEQHFQSQSF-UHFFFAOYSA-N 0 0 433.529 5.233 50 0 IKAARN COc1ccccc1-c1cc(C(F)F)c2c(=O)[nH]c(=S)n(-c3ccccc3C)c2n1 ZINC000036617289 524267320 /nfs/dbraw/zinc/26/73/20/524267320.db2.gz OKMPCSRZWMJGGH-UHFFFAOYSA-N 0 0 425.460 5.365 50 0 IKAARN COc1ccccc1-c1cc(C(=O)Nc2cccc(C(C)=O)c2)c2cc(Cl)ccc2n1 ZINC000012380251 524267537 /nfs/dbraw/zinc/26/75/37/524267537.db2.gz LZDULIKSFDGUKH-UHFFFAOYSA-N 0 0 430.891 6.019 50 0 IKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Nc2ccc(F)cc2F)no1 ZINC000034922387 524268575 /nfs/dbraw/zinc/26/85/75/524268575.db2.gz QOMHRDQADBATKW-UHFFFAOYSA-N 0 0 439.418 5.456 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCCSCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000021360141 524270991 /nfs/dbraw/zinc/27/09/91/524270991.db2.gz JFMLJVGXLQHIJR-HXUWFJFHSA-N 0 0 434.605 5.786 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1F ZINC000012782431 524272188 /nfs/dbraw/zinc/27/21/88/524272188.db2.gz ODEAVRKZNYKPNR-UHFFFAOYSA-N 0 0 447.554 5.139 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000012905489 524273055 /nfs/dbraw/zinc/27/30/55/524273055.db2.gz WLVKZGCOTULLIM-UHFFFAOYSA-N 0 0 436.939 5.247 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)nc2c1 ZINC000034908462 524273076 /nfs/dbraw/zinc/27/30/76/524273076.db2.gz IVWBIKFOOGYZCH-QFIPXVFZSA-N 0 0 430.479 5.549 50 0 IKAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022772572 524274590 /nfs/dbraw/zinc/27/45/90/524274590.db2.gz KFAVMPTWYGEZDS-YYVWFHOOSA-N 0 0 425.576 5.012 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 ZINC000012781682 524282741 /nfs/dbraw/zinc/28/27/41/524282741.db2.gz QXMJIPZPACPFPL-UHFFFAOYSA-N 0 0 445.346 5.889 50 0 IKAARN COc1ccccc1-c1nn(CCC(=O)NC[C@H](C)c2ccccc2)c2nc(C)cc(C)c12 ZINC000020437666 524283633 /nfs/dbraw/zinc/28/36/33/524283633.db2.gz VNBKCAUPWOFWAD-IBGZPJMESA-N 0 0 442.563 5.034 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(C)c1 ZINC000023830598 524284026 /nfs/dbraw/zinc/28/40/26/524284026.db2.gz XSCWMZVFRMBYCP-VWLOTQADSA-N 0 0 433.527 5.001 50 0 IKAARN COc1ccccc1-n1cnnc1SCc1ccc(-c2ccc(Br)cc2)o1 ZINC000013113477 524305594 /nfs/dbraw/zinc/30/55/94/524305594.db2.gz CJEITAAPDKDHND-UHFFFAOYSA-N 0 0 442.338 5.591 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)[C@@H]1C ZINC000015680097 524305744 /nfs/dbraw/zinc/30/57/44/524305744.db2.gz BTOISCSJPQZRNJ-GPMSIDNRSA-N 0 0 441.959 5.209 50 0 IKAARN COc1ccccc1/C=C(\CC(=O)NCc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000035681435 524312594 /nfs/dbraw/zinc/31/25/94/524312594.db2.gz HYFYZMCEZCDXNO-XMHGGMMESA-N 0 0 432.520 5.691 50 0 IKAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000012849008 524323194 /nfs/dbraw/zinc/32/31/94/524323194.db2.gz FJBNMYMCCOMGLK-IBGZPJMESA-N 0 0 446.620 5.123 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c(C)c1 ZINC000021357382 524323832 /nfs/dbraw/zinc/32/38/32/524323832.db2.gz NLHJUHSYAMYYCT-UHFFFAOYSA-N 0 0 433.577 5.085 50 0 IKAARN Cc1ccc(CCNC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000021916253 524326110 /nfs/dbraw/zinc/32/61/10/524326110.db2.gz LPHJCOOEJPVLAW-UHFFFAOYSA-N 0 0 441.575 5.271 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1C ZINC000021357166 524326980 /nfs/dbraw/zinc/32/69/80/524326980.db2.gz PREGPRIATVYFDM-UHFFFAOYSA-N 0 0 433.577 5.085 50 0 IKAARN Cc1cccc(C2=N/C(=C\c3ccccc3OCc3ccccc3Br)C(=O)O2)c1 ZINC000008431926 524334809 /nfs/dbraw/zinc/33/48/09/524334809.db2.gz OWOPXWVYODPYRO-STZFKDTASA-N 0 0 448.316 5.681 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)Nc4cccc(F)c4)cc3)c2n1 ZINC000020992826 524342522 /nfs/dbraw/zinc/34/25/22/524342522.db2.gz HGSSLEHDLVGAHV-UHFFFAOYSA-N 0 0 439.494 5.279 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)Nc4ccccc4F)cc3)c2n1 ZINC000020992821 524342873 /nfs/dbraw/zinc/34/28/73/524342873.db2.gz DSKHITXSXDEVJB-UHFFFAOYSA-N 0 0 439.494 5.279 50 0 IKAARN COc1ccccc1C(=O)N1CCN(C2=Nc3ccc(C)cc3Oc3ccccc32)C[C@H]1C ZINC000034812780 524343144 /nfs/dbraw/zinc/34/31/44/524343144.db2.gz XPHNLWZVLFZUFA-LJQANCHMSA-N 0 0 441.531 5.034 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cc1 ZINC000021880374 524348600 /nfs/dbraw/zinc/34/86/00/524348600.db2.gz CLDUSJZBNCUHLZ-UHFFFAOYSA-N 0 0 446.576 5.115 50 0 IKAARN Cc1cc(C)c2c(n1)sc([C@H](OC(C)C)c1ccccc1)c2NC(=O)c1ccccc1 ZINC000012446533 524350406 /nfs/dbraw/zinc/35/04/06/524350406.db2.gz SRBQNSRCXUKRNT-HSZRJFAPSA-N 0 0 430.573 6.680 50 0 IKAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000034679781 524351558 /nfs/dbraw/zinc/35/15/58/524351558.db2.gz SCRNODQFUJCDJJ-NRFANRHFSA-N 0 0 426.560 5.358 50 0 IKAARN COc1ccccc1C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000035928700 524358540 /nfs/dbraw/zinc/35/85/40/524358540.db2.gz JFQNMTURPRTHJT-VWLOTQADSA-N 0 0 432.545 5.343 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1 ZINC000009660213 524359088 /nfs/dbraw/zinc/35/90/88/524359088.db2.gz ZMVRUXBAAZJJSN-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 biogenic IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4cccc(F)c4)c3)C2=O)c1 ZINC000034735550 524384404 /nfs/dbraw/zinc/38/44/04/524384404.db2.gz HNLAOKLLHDGGAA-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000035910904 524389433 /nfs/dbraw/zinc/38/94/33/524389433.db2.gz JBKPQGDCMWWRDP-HSZRJFAPSA-N 0 0 438.936 5.380 50 0 IKAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000035912303 524389673 /nfs/dbraw/zinc/38/96/73/524389673.db2.gz GREQTIOCGOMUJM-HSZRJFAPSA-N 0 0 438.936 5.380 50 0 IKAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000035912302 524389847 /nfs/dbraw/zinc/38/98/47/524389847.db2.gz GREQTIOCGOMUJM-QHCPKHFHSA-N 0 0 438.936 5.380 50 0 IKAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035910946 524389973 /nfs/dbraw/zinc/38/99/73/524389973.db2.gz OBMZEQIOYVBBRP-HSZRJFAPSA-N 0 0 438.936 5.380 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)C2=O)c1 ZINC000035180963 524392674 /nfs/dbraw/zinc/39/26/74/524392674.db2.gz MPGBZXONWYZSPA-OAQYLSRUSA-N 0 0 427.548 5.318 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4cccc([C@@H](C)O)c4)c3)C2=O)c1 ZINC000035180954 524393282 /nfs/dbraw/zinc/39/32/82/524393282.db2.gz PQXHBEHOKJNLEN-HXUWFJFHSA-N 0 0 443.547 5.133 50 0 IKAARN COc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016742557 524400732 /nfs/dbraw/zinc/40/07/32/524400732.db2.gz MFJCMIHAEBPIPA-QHCPKHFHSA-N 0 0 445.902 5.822 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)[C@@H]1C ZINC000020723445 524405759 /nfs/dbraw/zinc/40/57/59/524405759.db2.gz RJSQKMRVDNSNOT-SXGZJXTBSA-N 0 0 426.532 6.219 50 0 IKAARN Cc1cccc(CN2[C@H](c3ccc(Br)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000021117869 524409682 /nfs/dbraw/zinc/40/96/82/524409682.db2.gz ROCCJAWVAUKZLL-OAQYLSRUSA-N 0 0 443.366 5.073 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCCC(C)C)c1 ZINC000021911823 524410773 /nfs/dbraw/zinc/41/07/73/524410773.db2.gz ORHDXBSDXUBULW-XMMPIXPASA-N 0 0 449.620 5.137 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)COc3ccccc3)c2)c1 ZINC000035928675 524411300 /nfs/dbraw/zinc/41/13/00/524411300.db2.gz MKPLNTKLKRFZPL-RUZDIDTESA-N 0 0 432.545 5.100 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000035482113 524411917 /nfs/dbraw/zinc/41/19/17/524411917.db2.gz XDDWSSAXUBKJMA-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)CCc2ccccc2)C(C)C)o1 ZINC000035809300 524414246 /nfs/dbraw/zinc/41/42/46/524414246.db2.gz GKKWSDNUCBQRPM-UHFFFAOYSA-N 0 0 446.591 5.029 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)Nc2ccccc2)o1 ZINC000035809434 524414307 /nfs/dbraw/zinc/41/43/07/524414307.db2.gz OOUXAGKGWAIOAS-UHFFFAOYSA-N 0 0 445.563 5.103 50 0 IKAARN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4o3)no2)c1 ZINC000021721455 524418671 /nfs/dbraw/zinc/41/86/71/524418671.db2.gz BFTZEVYESNXGRF-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c2ccc(F)cc2)o1 ZINC000035765787 524420517 /nfs/dbraw/zinc/42/05/17/524420517.db2.gz RAAAYNPZGVXDBF-UHFFFAOYSA-N 0 0 436.527 5.054 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)CC(C)C)cc3s2)c1 ZINC000033000792 524421953 /nfs/dbraw/zinc/42/19/53/524421953.db2.gz PFWNFUOWZXVNHA-UHFFFAOYSA-N 0 0 427.595 5.629 50 0 IKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000023445738 524421985 /nfs/dbraw/zinc/42/19/85/524421985.db2.gz CSGAKPVYDSVUQE-UHFFFAOYSA-N 0 0 434.923 5.706 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1 ZINC000017196568 524422071 /nfs/dbraw/zinc/42/20/71/524422071.db2.gz NZRKRSRNVCTXII-UHFFFAOYSA-N 0 0 448.975 6.196 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)c1 ZINC000020939383 524427497 /nfs/dbraw/zinc/42/74/97/524427497.db2.gz WXZAKUKZKKYMMK-UHFFFAOYSA-N 0 0 446.576 5.081 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000021893586 524427529 /nfs/dbraw/zinc/42/75/29/524427529.db2.gz CGIHICNCOSWXHV-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)c1 ZINC000021539845 524427872 /nfs/dbraw/zinc/42/78/72/524427872.db2.gz RWGOAVPDIUGWLY-XMMPIXPASA-N 0 0 433.621 6.779 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000021809143 524432472 /nfs/dbraw/zinc/43/24/72/524432472.db2.gz ULGXDVLRYMSQIH-STTRJGPESA-N 0 0 449.620 5.121 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000020508737 524433356 /nfs/dbraw/zinc/43/33/56/524433356.db2.gz KMMIROWBRDBNMQ-LOSJGSFVSA-N 0 0 444.600 6.227 50 0 IKAARN Cc1cc(C)cc(OCC(=O)Nc2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000000702328 524441202 /nfs/dbraw/zinc/44/12/02/524441202.db2.gz TZPYEXSKEGADCG-UHFFFAOYSA-N 0 0 435.574 5.618 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4ccc(Cl)cn4)c3)C2=O)cc1 ZINC000035180903 524444886 /nfs/dbraw/zinc/44/48/86/524444886.db2.gz XWZGCFDPNWDGKE-UHFFFAOYSA-N 0 0 434.927 5.128 50 0 IKAARN Cc1cccc(CO[C@@H](CN2CCN(C(=O)CCC(C)C)CC2)c2ccc(Cl)cc2)c1 ZINC000022634896 524445249 /nfs/dbraw/zinc/44/52/49/524445249.db2.gz AFXHFKQSTHLYQQ-VWLOTQADSA-N 0 0 443.031 5.487 50 0 IKAARN Cc1cccc(CO[C@@H](CN2CCN(C(=O)CC(C)(C)C)CC2)c2ccc(Cl)cc2)c1 ZINC000022637038 524446345 /nfs/dbraw/zinc/44/63/45/524446345.db2.gz YQUWNMQHMJSORE-DEOSSOPVSA-N 0 0 443.031 5.487 50 0 IKAARN COc1ccc(N2Cc3cccc(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3C2=O)cc1 ZINC000020216297 524447878 /nfs/dbraw/zinc/44/78/78/524447878.db2.gz KYUOHCSHNGHSOE-LREROPASSA-N 0 0 444.575 5.190 50 0 IKAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccccc2OC(C)C)CC(=O)N3)c1 ZINC000021784504 524462053 /nfs/dbraw/zinc/46/20/53/524462053.db2.gz OXDYFAPGQYHOCQ-SFHVURJKSA-N 0 0 435.549 5.044 50 0 IKAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2cc(Cl)ccc2Cl)c1 ZINC000035911037 524462220 /nfs/dbraw/zinc/46/22/20/524462220.db2.gz ATDAGMRSNGGLJO-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(OC(C)C)cc2)CC(=O)N3)c1 ZINC000021784716 524463357 /nfs/dbraw/zinc/46/33/57/524463357.db2.gz YYFYJCJNBXIXSB-IBGZPJMESA-N 0 0 435.549 5.044 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)cc1Cl ZINC000012372920 524483209 /nfs/dbraw/zinc/48/32/09/524483209.db2.gz IVLHTMVMORYYFN-ZDUSSCGKSA-N 0 0 441.380 5.335 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)cc2)n1 ZINC000012530392 524483526 /nfs/dbraw/zinc/48/35/26/524483526.db2.gz HYHAHFFFHBOEOB-HHHXNRCGSA-N 0 0 449.510 5.751 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)c(C)c1 ZINC000012314626 524483847 /nfs/dbraw/zinc/48/38/47/524483847.db2.gz SMNZWVCQMQXTOZ-GOSISDBHSA-N 0 0 440.609 5.215 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1Cl ZINC000012580331 524484674 /nfs/dbraw/zinc/48/46/74/524484674.db2.gz ZPYBEMZLKYMMQS-MRXNPFEDSA-N 0 0 434.989 5.244 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)c(C)c1 ZINC000012074695 524485152 /nfs/dbraw/zinc/48/51/52/524485152.db2.gz LOAGLJYGZTWQDQ-MRXNPFEDSA-N 0 0 432.923 5.067 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3cccc(Cl)c3)C2=O)cc1 ZINC000020573800 524485789 /nfs/dbraw/zinc/48/57/89/524485789.db2.gz HZZWAUCISITDMW-DEOSSOPVSA-N 0 0 434.948 5.128 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000020573798 524485862 /nfs/dbraw/zinc/48/58/62/524485862.db2.gz WHFBOGOPMOBCRF-VWLOTQADSA-N 0 0 448.975 5.436 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000021159919 524492584 /nfs/dbraw/zinc/49/25/84/524492584.db2.gz YSXIBPYGXLUYRA-ZJSXRUAMSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000021159916 524493022 /nfs/dbraw/zinc/49/30/22/524493022.db2.gz YSXIBPYGXLUYRA-URXFXBBRSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000021159988 524493618 /nfs/dbraw/zinc/49/36/18/524493618.db2.gz QRTJBGOMBXCMIH-UHFFFAOYSA-N 0 0 430.596 5.058 50 0 IKAARN COc1ccccc1CSc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl ZINC000035924570 524496630 /nfs/dbraw/zinc/49/66/30/524496630.db2.gz YYAJVDCNPIPCCQ-UHFFFAOYSA-N 0 0 443.355 5.993 50 0 IKAARN COc1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1OC ZINC000035848241 524497122 /nfs/dbraw/zinc/49/71/22/524497122.db2.gz KBUDABVGIRKTBN-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN COc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000020560824 524517151 /nfs/dbraw/zinc/51/71/51/524517151.db2.gz IKNFREFGRWMPDS-NRFANRHFSA-N 0 0 438.886 5.214 50 0 IKAARN COc1ccccc1Cn1cnc2c3ccccc3n(Cc3c(F)cccc3Cl)c2c1=O ZINC000021883742 524522447 /nfs/dbraw/zinc/52/24/47/524522447.db2.gz HRJOAAVGACPYBE-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN COc1ccccc1Cn1cnc2c3ccccc3n(Cc3ccccc3Cl)c2c1=O ZINC000035400229 524522624 /nfs/dbraw/zinc/52/26/24/524522624.db2.gz KTBIVEJWEWRTCE-UHFFFAOYSA-N 0 0 429.907 5.110 50 0 IKAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)cc1Cl ZINC000021656767 524530917 /nfs/dbraw/zinc/53/09/17/524530917.db2.gz ZQZKITWPRMFJOS-UHFFFAOYSA-N 0 0 437.952 5.888 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1C ZINC000035927157 524532809 /nfs/dbraw/zinc/53/28/09/524532809.db2.gz ZPTGYKVFTXXOMM-SANMLTNESA-N 0 0 430.573 5.653 50 0 IKAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1 ZINC000020996429 524533089 /nfs/dbraw/zinc/53/30/89/524533089.db2.gz WPFYQVVCBXYEBS-UHFFFAOYSA-N 0 0 426.451 5.038 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000035926959 524535056 /nfs/dbraw/zinc/53/50/56/524535056.db2.gz BKAFKFZMPUGCDC-QHCPKHFHSA-N 0 0 438.936 5.380 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1C ZINC000021808211 524535761 /nfs/dbraw/zinc/53/57/61/524535761.db2.gz RGWHILYJEHTBNH-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000015672619 524535995 /nfs/dbraw/zinc/53/59/95/524535995.db2.gz HMGPZXIDKZFFKO-CMPWMSKVSA-N 0 0 449.620 5.434 50 0 IKAARN COc1ccccc1N1CC(=O)N(c2ccc(C)cc2C)[C@@H](/C(C)=C/c2ccccc2)C1=O ZINC000015412566 524537663 /nfs/dbraw/zinc/53/76/63/524537663.db2.gz ZQSWSQIKTQGMNT-WRINRREJSA-N 0 0 440.543 5.164 50 0 IKAARN Cc1cccc(N2CCN(C(=O)Cn3c(-c4cccs4)cc4ccccc43)C[C@H]2C)c1 ZINC000020531999 524548286 /nfs/dbraw/zinc/54/82/86/524548286.db2.gz QVFXRANSKBFMPQ-HXUWFJFHSA-N 0 0 429.589 5.416 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000021880174 524555416 /nfs/dbraw/zinc/55/54/16/524555416.db2.gz WEOMZCAIFLTAPW-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cc1OC ZINC000021879712 524556175 /nfs/dbraw/zinc/55/61/75/524556175.db2.gz MAAORLSXEJPJKU-VWLOTQADSA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c(C)c1 ZINC000023434046 524557313 /nfs/dbraw/zinc/55/73/13/524557313.db2.gz PXIDOGQICDHJFB-RUZDIDTESA-N 0 0 432.520 5.200 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000021892062 524558288 /nfs/dbraw/zinc/55/82/88/524558288.db2.gz NYJBDECYGGVZQW-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c(OC)c1 ZINC000021891422 524559065 /nfs/dbraw/zinc/55/90/65/524559065.db2.gz XEPGOVJSTVDCFJ-XMMPIXPASA-N 0 0 445.544 5.693 50 0 IKAARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1OC ZINC000033265555 524559593 /nfs/dbraw/zinc/55/95/93/524559593.db2.gz VFRZAPKYHMWYQS-HNNXBMFYSA-N 0 0 437.565 5.544 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(Cn3nc(-n4cccc4)c4c3nc(C)cc4C)cc2)cc1 ZINC000020992838 524560381 /nfs/dbraw/zinc/56/03/81/524560381.db2.gz FJPYWEPVWNFONI-UHFFFAOYSA-N 0 0 449.558 5.126 50 0 IKAARN COc1ccc(NC(=O)NCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000012854419 524560625 /nfs/dbraw/zinc/56/06/25/524560625.db2.gz JBEJFKVNQJDUKC-UHFFFAOYSA-N 0 0 439.309 5.129 50 0 IKAARN Cc1cccc(N2CCN([C@@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)c1C ZINC000020988687 524561309 /nfs/dbraw/zinc/56/13/09/524561309.db2.gz RPOYCEIOORIWBD-RUZDIDTESA-N 0 0 442.538 5.404 50 0 IKAARN Cc1ccc(CNC(=O)c2cncn2-c2cccc(-c3ccccc3C(F)(F)F)c2)o1 ZINC000023454388 524566366 /nfs/dbraw/zinc/56/63/66/524566366.db2.gz MNRTXEZDGLVJRZ-UHFFFAOYSA-N 0 0 425.410 5.390 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000012462800 524567838 /nfs/dbraw/zinc/56/78/38/524567838.db2.gz SMFTUNQQJHZKBX-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c(OC)c1 ZINC000033169399 524577152 /nfs/dbraw/zinc/57/71/52/524577152.db2.gz IKYJGTLKXFWAJU-UHFFFAOYSA-N 0 0 443.503 6.287 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000020249381 524579045 /nfs/dbraw/zinc/57/90/45/524579045.db2.gz AAJBMBMACCUVEV-UHFFFAOYSA-N 0 0 432.505 5.682 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(-c3nnc(Cc4ccc(C)cc4)o3)c2)cc1OC ZINC000021711647 524579648 /nfs/dbraw/zinc/57/96/48/524579648.db2.gz GKFRNVKFPULDCD-UHFFFAOYSA-N 0 0 444.491 5.297 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1OC1CCCC1 ZINC000012367378 524579935 /nfs/dbraw/zinc/57/99/35/524579935.db2.gz DKPSSNPKEATWGF-UHFFFAOYSA-N 0 0 440.540 5.991 50 0 IKAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C ZINC000012776630 524587894 /nfs/dbraw/zinc/58/78/94/524587894.db2.gz HNTFZARZROABHY-UHFFFAOYSA-N 0 0 430.426 5.293 50 0 IKAARN C[C@@H](CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021855744 524588507 /nfs/dbraw/zinc/58/85/07/524588507.db2.gz XKOUSSIHVKLYED-MMTVBGGISA-N 0 0 443.591 5.108 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1C ZINC000020939628 524608769 /nfs/dbraw/zinc/60/87/69/524608769.db2.gz FGDGNJCJHRXMRZ-UHFFFAOYSA-N 0 0 432.549 5.024 50 0 IKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000021888547 524612604 /nfs/dbraw/zinc/61/26/04/524612604.db2.gz OKNGFTFZGVITOW-DEOSSOPVSA-N 0 0 431.923 6.010 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021893781 524612796 /nfs/dbraw/zinc/61/27/96/524612796.db2.gz YQWIRLBNADQHJM-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892284 524613137 /nfs/dbraw/zinc/61/31/37/524613137.db2.gz USRFVJCIYFVETQ-VWLOTQADSA-N 0 0 445.469 5.901 50 0 IKAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn32)cc1Cl ZINC000020725470 524613255 /nfs/dbraw/zinc/61/32/55/524613255.db2.gz OXEVLQRRHLDKRU-MRXNPFEDSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020736959 524624432 /nfs/dbraw/zinc/62/44/32/524624432.db2.gz JGBDGQGSYHCXQA-XMMPIXPASA-N 0 0 432.564 5.519 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)c1 ZINC000021536525 524627077 /nfs/dbraw/zinc/62/70/77/524627077.db2.gz MRLJRPSHDYGASU-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000012534348 524628334 /nfs/dbraw/zinc/62/83/34/524628334.db2.gz RCCYJBFJRXICRQ-UHFFFAOYSA-N 0 0 438.409 5.653 50 0 IKAARN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000035240497 524631595 /nfs/dbraw/zinc/63/15/95/524631595.db2.gz BTSPKFGPZQNVMI-OEAKJJBVSA-N 0 0 433.504 5.950 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)c(OC)c1 ZINC000035527235 524637024 /nfs/dbraw/zinc/63/70/24/524637024.db2.gz TUVBDODFDFQGJP-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1OC ZINC000033261258 524638146 /nfs/dbraw/zinc/63/81/46/524638146.db2.gz DMMLDPXWTAPOCL-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)c(OC)c1 ZINC000033260939 524643439 /nfs/dbraw/zinc/64/34/39/524643439.db2.gz RKNYEJAWCAWZCR-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4cccc(C)c4)C3=O)c2)cc1 ZINC000035180946 524643939 /nfs/dbraw/zinc/64/39/39/524643939.db2.gz GWRIUGRFIXHXST-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN Cc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035847426 524649613 /nfs/dbraw/zinc/64/96/13/524649613.db2.gz UKDDHHQZZBCEHQ-UHFFFAOYSA-N 0 0 432.420 7.223 50 0 IKAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccccc3F)n2)cc1 ZINC000011916280 524649759 /nfs/dbraw/zinc/64/97/59/524649759.db2.gz PCMXUKUGSLREBA-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN COc1ccccc1OC1CCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)CC1 ZINC000012754328 524655415 /nfs/dbraw/zinc/65/54/15/524655415.db2.gz TVYQJRXHUUKVKX-UHFFFAOYSA-N 0 0 447.579 5.290 50 0 IKAARN COc1ccccc1OC1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)CC1 ZINC000012459272 524655517 /nfs/dbraw/zinc/65/55/17/524655517.db2.gz IHMJSXQPNJAXEF-UHFFFAOYSA-N 0 0 446.469 5.721 50 0 IKAARN Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Br)cc3)n3ccccc23)c1 ZINC000012341999 524657851 /nfs/dbraw/zinc/65/78/51/524657851.db2.gz DPPZUUVIAWAFOI-UHFFFAOYSA-N 0 0 448.320 5.076 50 0 IKAARN Cc1cccc(NC2=NC(=S)N(c3ccc(Br)cc3)C23CCCCC3)c1 ZINC000012462711 524668268 /nfs/dbraw/zinc/66/82/68/524668268.db2.gz UHRXBDFGKDECBT-UHFFFAOYSA-N 0 0 428.399 6.076 50 0 IKAARN Cc1cccc(NC2=C[C@H](c3ccc4oc5ccccc5c4c3)N(c3cccc(C)c3)C2=O)c1 ZINC000012462840 524669029 /nfs/dbraw/zinc/66/90/29/524669029.db2.gz WVSVUFLYUPAIKE-HHHXNRCGSA-N 0 0 444.534 7.287 50 0 IKAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1 ZINC000012062297 524678804 /nfs/dbraw/zinc/67/88/04/524678804.db2.gz DZLSQABXKRNAFL-UHFFFAOYSA-N 0 0 447.560 5.163 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)ncn1 ZINC000035526592 524693667 /nfs/dbraw/zinc/69/36/67/524693667.db2.gz HBXBUQXJNGCMTP-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3)c2)ncn1 ZINC000035526591 524695151 /nfs/dbraw/zinc/69/51/51/524695151.db2.gz HBXBUQXJNGCMTP-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccccc3C)c2)ncn1 ZINC000035526595 524695252 /nfs/dbraw/zinc/69/52/52/524695252.db2.gz DVYUQNMHBSHEOI-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)ncn1 ZINC000035526593 524695549 /nfs/dbraw/zinc/69/55/49/524695549.db2.gz VNEUGMXUKKXFQF-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(=O)C2CC2)c(C)nn1-c1ccccc1 ZINC000035976721 524695614 /nfs/dbraw/zinc/69/56/14/524695614.db2.gz BRIQEDANWFCUQX-UHFFFAOYSA-N 0 0 431.536 5.130 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccc(C)cc3C)c2)ncn1 ZINC000035526585 524695674 /nfs/dbraw/zinc/69/56/74/524695674.db2.gz BPEVNLFHKKZYGQ-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)ncn1 ZINC000035526571 524695909 /nfs/dbraw/zinc/69/59/09/524695909.db2.gz LALGOTQEJJSVMM-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)c(OC)c1 ZINC000020853092 524709384 /nfs/dbraw/zinc/70/93/84/524709384.db2.gz PADBJAXMQHEMIO-NRFANRHFSA-N 0 0 439.874 5.748 50 0 IKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000020852376 524709716 /nfs/dbraw/zinc/70/97/16/524709716.db2.gz AQCFTKOHZOLPAN-FQEVSTJZSA-N 0 0 426.303 6.254 50 0 IKAARN COc1ccc(N[C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3F)C2)cc1OC ZINC000012448412 524712184 /nfs/dbraw/zinc/71/21/84/524712184.db2.gz HIBIMOTXVNAYIC-IBGZPJMESA-N 0 0 434.511 5.227 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)Cc4cccc(OC)c4)ccc3n2)cc1 ZINC000020532795 524712494 /nfs/dbraw/zinc/71/24/94/524712494.db2.gz WFOPJDKPNSSTEE-UHFFFAOYSA-N 0 0 427.504 5.485 50 0 IKAARN COc1ccccc1[C@@H](C)N(c1cccc(F)c1)S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000036034113 524715165 /nfs/dbraw/zinc/71/51/65/524715165.db2.gz SATLWWLJSHRHTP-MRXNPFEDSA-N 0 0 433.932 5.753 50 0 IKAARN COc1ccc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1Cl ZINC000035446483 524715295 /nfs/dbraw/zinc/71/52/95/524715295.db2.gz MWPQDHLSAOPTBZ-UHFFFAOYSA-N 0 0 443.894 6.061 50 0 IKAARN Cc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)COc3ccccc3F)nc21 ZINC000022807925 524718334 /nfs/dbraw/zinc/71/83/34/524718334.db2.gz UJNAJVMFQZDNGZ-UHFFFAOYSA-N 0 0 441.915 5.404 50 0 IKAARN C[C@@H]1CCc2c(sc3c2CSC(C(=O)NCc2cccc(Br)c2)=C3)C1 ZINC000020557741 524726817 /nfs/dbraw/zinc/72/68/17/524726817.db2.gz HJVNEYPNTKQWJB-GFCCVEGCSA-N 0 0 434.424 5.540 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000020903028 524731119 /nfs/dbraw/zinc/73/11/19/524731119.db2.gz RZRIOAVEIUMUFA-RUZDIDTESA-N 0 0 435.955 5.081 50 0 IKAARN Cc1cccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000017027314 524732150 /nfs/dbraw/zinc/73/21/50/524732150.db2.gz AAWPAGOKEBWXSG-UHFFFAOYSA-N 0 0 431.355 5.679 50 0 IKAARN COc1ccccc1[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCCC1 ZINC000012786263 524733544 /nfs/dbraw/zinc/73/35/44/524733544.db2.gz SBCQHWAVINAONR-QGZVFWFLSA-N 0 0 432.948 5.269 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(s2)-c2ccsc2CC3)CC1 ZINC000021043499 524733821 /nfs/dbraw/zinc/73/38/21/524733821.db2.gz KYQMIDIRCXULNA-UHFFFAOYSA-N 0 0 429.010 5.499 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000021548923 524738010 /nfs/dbraw/zinc/73/80/10/524738010.db2.gz UILMYEAXSGGUHB-AWEZNQCLSA-N 0 0 426.775 5.104 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2nc(N3CCC[C@@H](C)C3)sc21 ZINC000035533419 524744911 /nfs/dbraw/zinc/74/49/11/524744911.db2.gz WITJRVGFUSFLCH-GFCCVEGCSA-N 0 0 448.017 5.015 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000012462861 524752102 /nfs/dbraw/zinc/75/21/02/524752102.db2.gz ZVBMQEJKNSEWIX-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)c4ccc(F)cc4)cc3s2)c1 ZINC000015832800 524752373 /nfs/dbraw/zinc/75/23/73/524752373.db2.gz YWIUHELHMSJXPO-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1ccn([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000020617016 524755923 /nfs/dbraw/zinc/75/59/23/524755923.db2.gz VPOZIXQKZJUERU-AWEZNQCLSA-N 0 0 431.323 5.259 50 0 IKAARN COc1ccccc1[C@@H]1c2sc3c(c2CCN1C(=O)NCCc1ccccc1)CCCC3 ZINC000021048803 524763506 /nfs/dbraw/zinc/76/35/06/524763506.db2.gz PIZPHQBCSCJLFD-RUZDIDTESA-N 0 0 446.616 5.535 50 0 IKAARN COc1ccccc1[C@@H]1c2sc3c(c2CCN1C(=O)Nc1cccc(F)c1)CCCC3 ZINC000021048883 524765043 /nfs/dbraw/zinc/76/50/43/524765043.db2.gz RNOMKDUUPDTURZ-HSZRJFAPSA-N 0 0 436.552 5.954 50 0 IKAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1scnc1C ZINC000012440377 524765152 /nfs/dbraw/zinc/76/51/52/524765152.db2.gz OAXKTKZBXHBOPN-RUZDIDTESA-N 0 0 431.561 5.048 50 0 IKAARN Cc1ccc(Cn2c3c4ccccc4sc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000020354881 524766102 /nfs/dbraw/zinc/76/61/02/524766102.db2.gz BEJZMTMFQBNZOI-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN Cc1cccc(OCc2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)c1 ZINC000012673886 524770147 /nfs/dbraw/zinc/77/01/47/524770147.db2.gz CVXUHQRCYMSYJS-JOCHJYFZSA-N 0 0 449.507 5.568 50 0 IKAARN Cc1ccc(Cn2cc([C@H](CC(=O)NCC(C)C)c3cccc(C)c3)c3ccccc32)cc1 ZINC000035815773 524772376 /nfs/dbraw/zinc/77/23/76/524772376.db2.gz TVEGXWGWJNNCTM-HHHXNRCGSA-N 0 0 438.615 6.601 50 0 IKAARN COc1ccccc1[C@H](C)N(c1cccc(F)c1)S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000036034112 524773032 /nfs/dbraw/zinc/77/30/32/524773032.db2.gz SATLWWLJSHRHTP-INIZCTEOSA-N 0 0 433.932 5.753 50 0 IKAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000012712897 524773168 /nfs/dbraw/zinc/77/31/68/524773168.db2.gz FSMXSMJCNWKQNU-AWEZNQCLSA-N 0 0 434.414 5.114 50 0 IKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)c2ccccc2C)cc1 ZINC000033036215 524774846 /nfs/dbraw/zinc/77/48/46/524774846.db2.gz VCLUGSHJJYWRGC-UHFFFAOYSA-N 0 0 448.979 6.000 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccccc3)C(=O)c3cccs3)no2)c1 ZINC000036011860 524791263 /nfs/dbraw/zinc/79/12/63/524791263.db2.gz NGQCQMGXYVQURZ-UHFFFAOYSA-N 0 0 434.517 5.263 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)c1 ZINC000020604479 524792145 /nfs/dbraw/zinc/79/21/45/524792145.db2.gz XWESRGMRNJKVTE-UHFFFAOYSA-N 0 0 427.426 5.491 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)c1 ZINC000012675864 524794831 /nfs/dbraw/zinc/79/48/31/524794831.db2.gz YWOFIPZBZAXOIV-UHFFFAOYSA-N 0 0 446.532 5.143 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C4CC4)nc4ccccc43)n2)c1 ZINC000012758493 524795945 /nfs/dbraw/zinc/79/59/45/524795945.db2.gz DAFDLAUWDFUMCW-UHFFFAOYSA-N 0 0 431.517 5.505 50 0 IKAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2F)c1 ZINC000014796152 524796093 /nfs/dbraw/zinc/79/60/93/524796093.db2.gz DROORKMWENRXAZ-UHFFFAOYSA-N 0 0 435.430 5.087 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000035928005 524808984 /nfs/dbraw/zinc/80/89/84/524808984.db2.gz ZNEHPFOPZCXEPY-RUZDIDTESA-N 0 0 434.536 5.484 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)c1 ZINC000015729396 524812492 /nfs/dbraw/zinc/81/24/92/524812492.db2.gz GHULWGFBQIEZGC-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)c1 ZINC000015729511 524812632 /nfs/dbraw/zinc/81/26/32/524812632.db2.gz SILXFXUVLYXGIT-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN COc1ccccc1[C@H]1CCN(Cc2ccc3nccnc3c2)c2ccc(C)cc2S1 ZINC000012247656 524815403 /nfs/dbraw/zinc/81/54/03/524815403.db2.gz KHFALMCEUXGZBP-RUZDIDTESA-N 0 0 427.573 6.191 50 0 IKAARN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000012860703 524818835 /nfs/dbraw/zinc/81/88/35/524818835.db2.gz FPVFEIBTNZKHAV-HVKPZDIDSA-N 0 0 433.592 5.727 50 0 biogenic IKAARN COc1ccc(OC)c(CCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)c1 ZINC000020286243 524819228 /nfs/dbraw/zinc/81/92/28/524819228.db2.gz VUCXFQYCJITVJP-UHFFFAOYSA-N 0 0 426.925 5.093 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)no1 ZINC000009449228 524819453 /nfs/dbraw/zinc/81/94/53/524819453.db2.gz UAWVPLJPKZHRLF-UHFFFAOYSA-N 0 0 431.517 5.502 50 0 IKAARN COc1ccc(OC)c(CNC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1 ZINC000012925277 524837827 /nfs/dbraw/zinc/83/78/27/524837827.db2.gz ZTPFVFHQAKZQBE-UHFFFAOYSA-N 0 0 428.488 5.264 50 0 IKAARN Cc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012617453 524855438 /nfs/dbraw/zinc/85/54/38/524855438.db2.gz BUTAOKSAUSHZIE-NQIIRXRSSA-N 0 0 425.351 6.061 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000021893217 524856173 /nfs/dbraw/zinc/85/61/73/524856173.db2.gz WKFUNQIOPOXJNR-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000021536704 524856375 /nfs/dbraw/zinc/85/63/75/524856375.db2.gz QTCDYZXFEOSALZ-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)c1 ZINC000021879800 524860496 /nfs/dbraw/zinc/86/04/96/524860496.db2.gz IFTSBPKOKVQHJH-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000021879716 524860571 /nfs/dbraw/zinc/86/05/71/524860571.db2.gz KWTLDAIJEYWCLR-VWLOTQADSA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc(OC)c(NC(=O)Nc2ccc3nc(-c4cccc(C)c4)cc(OC)c3c2)c1 ZINC000033278729 524860902 /nfs/dbraw/zinc/86/09/02/524860902.db2.gz KSSNPWNFIBHWTQ-UHFFFAOYSA-N 0 0 443.503 5.880 50 0 IKAARN COc1ccc(OC)c(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)c1 ZINC000035446425 524871623 /nfs/dbraw/zinc/87/16/23/524871623.db2.gz OJPPOHZNKWJOOR-UHFFFAOYSA-N 0 0 439.475 5.416 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000022215614 524874379 /nfs/dbraw/zinc/87/43/79/524874379.db2.gz XTHNZZDRYQLYAE-UHFFFAOYSA-N 0 0 426.303 5.863 50 0 IKAARN Cc1cccc([C@H](CC(=O)NC2CC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035768450 524880117 /nfs/dbraw/zinc/88/01/17/524880117.db2.gz CBIKDSBLWLVXKI-VWLOTQADSA-N 0 0 426.535 5.938 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036034084 524882536 /nfs/dbraw/zinc/88/25/36/524882536.db2.gz CLVPAZFLQFBTTQ-GOSISDBHSA-N 0 0 443.540 5.416 50 0 IKAARN Cc1cc(Cl)ccc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000035482070 524890289 /nfs/dbraw/zinc/89/02/89/524890289.db2.gz UWIVTDUPRHYHFN-HSZRJFAPSA-N 0 0 441.984 5.143 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000021721796 524891507 /nfs/dbraw/zinc/89/15/07/524891507.db2.gz JMRDERKQUAUWCY-UHFFFAOYSA-N 0 0 444.969 5.505 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1ccc(=O)n(-c2ccc(C(C)C)cc2)n1 ZINC000033128422 524895481 /nfs/dbraw/zinc/89/54/81/524895481.db2.gz VYNBKZLQINGVEJ-UHFFFAOYSA-N 0 0 427.957 5.049 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1cc(C)ccc1C ZINC000015824594 524899398 /nfs/dbraw/zinc/89/93/98/524899398.db2.gz PHAPOKHHIYDXQR-UHFFFAOYSA-N 0 0 442.968 5.670 50 0 IKAARN Cc1cccc([C@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)c1 ZINC000021523660 524900769 /nfs/dbraw/zinc/90/07/69/524900769.db2.gz HCUUPLZLJFEHNN-HSZRJFAPSA-N 0 0 441.560 5.029 50 0 IKAARN COc1ccc(OC)c([C@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)c1 ZINC000021897692 524902337 /nfs/dbraw/zinc/90/23/37/524902337.db2.gz LTKJAIZSTLDJGY-SFHVURJKSA-N 0 0 436.552 5.367 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000021893262 524902506 /nfs/dbraw/zinc/90/25/06/524902506.db2.gz RMTIDJPRMLWFIQ-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)[C@H]2CCCO2)CCCC4)c1 ZINC000033115703 524902647 /nfs/dbraw/zinc/90/26/47/524902647.db2.gz SCIYNSCIZOVHGH-VWNXMTODSA-N 0 0 432.589 5.337 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000021893343 524902859 /nfs/dbraw/zinc/90/28/59/524902859.db2.gz STKPVCUPOXLICQ-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC1N=NC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000017096167 524907665 /nfs/dbraw/zinc/90/76/65/524907665.db2.gz YVQJOOOOHJNMFM-UHFFFAOYSA-N 0 0 428.772 5.836 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000000668852 524911204 /nfs/dbraw/zinc/91/12/04/524911204.db2.gz OYDMUBCHHIUAGA-SNVBAGLBSA-N 0 0 447.554 5.579 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000012581576 524914272 /nfs/dbraw/zinc/91/42/72/524914272.db2.gz BFXGLIWVJMDFMX-RUZDIDTESA-N 0 0 430.548 5.070 50 0 IKAARN Cc1ccc(N2C(=O)C(=O)C(c3ccc4ccccc4n3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000023409427 524917815 /nfs/dbraw/zinc/91/78/15/524917815.db2.gz XNCWSBKWLQHIHG-DEOSSOPVSA-N 0 0 426.903 6.254 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008917147 524919581 /nfs/dbraw/zinc/91/95/81/524919581.db2.gz OCDZLSBLUPBNMY-OGRZUZBBSA-N 0 0 448.031 7.766 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000035910858 524919870 /nfs/dbraw/zinc/91/98/70/524919870.db2.gz RVACPUYWJYQCCU-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1C ZINC000035910846 524920041 /nfs/dbraw/zinc/92/00/41/524920041.db2.gz WSSXCMHGXACRTK-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1F ZINC000035928603 524920323 /nfs/dbraw/zinc/92/03/23/524920323.db2.gz WPDXSSGFQQDNHE-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1C ZINC000035912254 524920414 /nfs/dbraw/zinc/92/04/14/524920414.db2.gz NRZLCOSRAUCKRR-VWLOTQADSA-N 0 0 446.528 5.063 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1F ZINC000035928566 524920461 /nfs/dbraw/zinc/92/04/61/524920461.db2.gz KLPZOOZOEAJZPL-VWLOTQADSA-N 0 0 434.536 5.484 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)CCc2ccccc2)c(C)c1 ZINC000035912197 524920913 /nfs/dbraw/zinc/92/09/13/524920913.db2.gz WREZBEVGLWZHHB-AREMUKBSSA-N 0 0 430.573 5.653 50 0 IKAARN Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 ZINC000033063892 524923180 /nfs/dbraw/zinc/92/31/80/524923180.db2.gz NSNHHQRUWWXIKO-GOSISDBHSA-N 0 0 444.556 5.535 50 0 IKAARN Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000033063886 524924823 /nfs/dbraw/zinc/92/48/23/524924823.db2.gz RIZKXZKUNMNDQD-UHFFFAOYSA-N 0 0 434.948 6.035 50 0 IKAARN C[C@@H](Cc1ccco1)NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000021656903 524925516 /nfs/dbraw/zinc/92/55/16/524925516.db2.gz HNKHMSRNPTVWDW-HNNXBMFYSA-N 0 0 425.941 5.272 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](C)S[C@@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000012447762 524929641 /nfs/dbraw/zinc/92/96/41/524929641.db2.gz HBGQBZNLPDCONO-SSOJOUAXSA-N 0 0 448.975 5.517 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000021808275 524930874 /nfs/dbraw/zinc/93/08/74/524930874.db2.gz RCRKYOZGPNCHBP-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020903374 524931192 /nfs/dbraw/zinc/93/11/92/524931192.db2.gz JEIKJNKQHKXVRI-MUUNZHRXSA-N 0 0 443.591 5.598 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c(C)c1 ZINC000021526511 524931533 /nfs/dbraw/zinc/93/15/33/524931533.db2.gz MVZOQKWUKZVVLA-AREMUKBSSA-N 0 0 433.552 5.109 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000020902811 524931547 /nfs/dbraw/zinc/93/15/47/524931547.db2.gz NJDLMHQKCNPTQO-MHZLTWQESA-N 0 0 429.564 5.126 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000021526523 524931727 /nfs/dbraw/zinc/93/17/27/524931727.db2.gz SNPHYWZOJVXULV-SANMLTNESA-N 0 0 433.552 5.109 50 0 IKAARN C[C@H](NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000012845238 524931841 /nfs/dbraw/zinc/93/18/41/524931841.db2.gz RCIZBCLPLCMJIS-AWEZNQCLSA-N 0 0 435.471 5.505 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015413392 524933800 /nfs/dbraw/zinc/93/38/00/524933800.db2.gz OICXRHKDKKTXMY-MHZLTWQESA-N 0 0 426.560 5.856 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)c(Cl)c1 ZINC000022276991 524942817 /nfs/dbraw/zinc/94/28/17/524942817.db2.gz CCZYSAOLQOJNBA-NSHDSACASA-N 0 0 425.262 5.737 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Cl)c(Cl)c1 ZINC000021409761 524943619 /nfs/dbraw/zinc/94/36/19/524943619.db2.gz KIGSSRKGMBRNCC-NSHDSACASA-N 0 0 425.262 5.737 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3F)C2=O)c(NC(=O)Cc2cccs2)c1 ZINC000034735695 524946625 /nfs/dbraw/zinc/94/66/25/524946625.db2.gz URIUDKJJIBNASD-UHFFFAOYSA-N 0 0 437.540 5.209 50 0 IKAARN Cc1ccc(N2CCCN(Cc3c(F)cccc3F)C2=O)c(NC(=O)c2cccs2)c1 ZINC000034736064 524947867 /nfs/dbraw/zinc/94/78/67/524947867.db2.gz PXZMFCXKVOXLGO-UHFFFAOYSA-N 0 0 441.503 5.419 50 0 IKAARN Cc1cccc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccccc3)n21 ZINC000035606584 524973563 /nfs/dbraw/zinc/97/35/63/524973563.db2.gz IPGQBKKHOIQAGO-UHFFFAOYSA-N 0 0 427.592 7.354 50 0 IKAARN Cc1cccc2[nH]c(CN(C)C(=O)c3csc4nc(-c5cccc(Cl)c5)cn34)nc21 ZINC000012298295 524976406 /nfs/dbraw/zinc/97/64/06/524976406.db2.gz QMFYRNAJVSRINK-UHFFFAOYSA-N 0 0 435.940 5.173 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 ZINC000009788924 524978191 /nfs/dbraw/zinc/97/81/91/524978191.db2.gz WGFNKMJFHJKWFV-HNNXBMFYSA-N 0 0 428.533 5.152 50 0 IKAARN C[C@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000035888530 524982664 /nfs/dbraw/zinc/98/26/64/524982664.db2.gz JTBRMQVLNOZVCI-JTSKRJEESA-N 0 0 436.477 6.586 50 0 IKAARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4noc(C5CCCC5)n4)c3)CC2=O)cc1C ZINC000021883515 524986183 /nfs/dbraw/zinc/98/61/83/524986183.db2.gz HUXJDZMGYMNMPR-HXUWFJFHSA-N 0 0 444.535 5.003 50 0 IKAARN COc1ccc(Oc2c(CN(CC3CC3)C(=O)C(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000035976929 524988954 /nfs/dbraw/zinc/98/89/54/524988954.db2.gz ZCIWHLOSVKIMQL-UHFFFAOYSA-N 0 0 433.552 5.376 50 0 IKAARN Cc1cc(F)ccc1NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988245 524989106 /nfs/dbraw/zinc/98/91/06/524989106.db2.gz ZYYCKSLXDGFFHV-UHFFFAOYSA-N 0 0 431.511 5.690 50 0 IKAARN Cc1ccc(N2[C@@H]3CC(C)(C)CC(=O)[C@@H]3[C@@H](c3cnn(C)c3)[C@@H]3C(=O)CC(C)(C)C[C@H]32)cc1 ZINC000244601754 524990484 /nfs/dbraw/zinc/99/04/84/524990484.db2.gz DRHWKDJCLCOTQJ-KWDPJPNCSA-N 0 0 447.623 5.080 50 0 IKAARN C[C@H](NC(=O)Cn1c2ccccc2nc1NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000012528791 524994296 /nfs/dbraw/zinc/99/42/96/524994296.db2.gz HEWXTNDLFITSOH-DLHGZHJBSA-N 0 0 442.607 5.370 50 0 IKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)cn2)cc1 ZINC000065057935 524995965 /nfs/dbraw/zinc/99/59/65/524995965.db2.gz YGBMFMRELLHZJA-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN Cc1cccc2sc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)c(Cl)c21 ZINC000012864507 524998722 /nfs/dbraw/zinc/99/87/22/524998722.db2.gz PFWNYUOXJVXADZ-UHFFFAOYSA-N 0 0 426.969 5.032 50 0 IKAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 ZINC000022486041 525005417 /nfs/dbraw/zinc/00/54/17/525005417.db2.gz YKWAPPZIKSOZKH-INIZCTEOSA-N 0 0 441.362 5.614 50 0 IKAARN Cc1ccccc1-c1nc(OC(C)C)nn1-c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000035806453 525010828 /nfs/dbraw/zinc/01/08/28/525010828.db2.gz SWZHWNKFPZHYLX-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN Cc1ccccc1-c1nnc(CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)o1 ZINC000021359192 525015115 /nfs/dbraw/zinc/01/51/15/525015115.db2.gz MZNZYVDIOYCTDU-UHFFFAOYSA-N 0 0 443.941 5.095 50 0 IKAARN Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000035839946 525024975 /nfs/dbraw/zinc/02/49/75/525024975.db2.gz ZSIQHVZIPLARSB-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 ZINC000012634028 525025534 /nfs/dbraw/zinc/02/55/34/525025534.db2.gz RBQRMNOXTJHLQQ-UHFFFAOYSA-N 0 0 440.634 5.732 50 0 IKAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 ZINC000012609570 525027209 /nfs/dbraw/zinc/02/72/09/525027209.db2.gz JQNKGAKROSIYEG-INIZCTEOSA-N 0 0 449.967 5.410 50 0 IKAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)N2CCCCC2)nnc1-c1c[nH]c2ccccc21 ZINC000012527050 525027438 /nfs/dbraw/zinc/02/74/38/525027438.db2.gz MXGLREGRJLWBPX-GOSISDBHSA-N 0 0 445.592 5.217 50 0 IKAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000022077942 525038436 /nfs/dbraw/zinc/03/84/36/525038436.db2.gz BAXBPOVWBAIAFP-JOCHJYFZSA-N 0 0 437.469 5.211 50 0 IKAARN C[C@@H](NC(=O)/C=C\c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000034255770 525038651 /nfs/dbraw/zinc/03/86/51/525038651.db2.gz LAOSXDFJKGEUSY-QYMJWVLRSA-N 0 0 440.330 5.875 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)cc1Cl ZINC000021721346 525040934 /nfs/dbraw/zinc/04/09/34/525040934.db2.gz QGAMTPIZTDZNTI-UHFFFAOYSA-N 0 0 444.969 5.505 50 0 IKAARN Cc1ccccc1C(=O)N1C[C@H](C(=O)NCCC(C)C)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036042175 525050825 /nfs/dbraw/zinc/05/08/25/525050825.db2.gz GWCVQPQLDAJUTQ-VXKWHMMOSA-N 0 0 446.513 5.032 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)no1 ZINC000002343638 525052740 /nfs/dbraw/zinc/05/27/40/525052740.db2.gz KYCDNNVSLKTUGQ-GOSISDBHSA-N 0 0 427.243 5.146 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000022135455 525063304 /nfs/dbraw/zinc/06/33/04/525063304.db2.gz BLOULGKQKQENHZ-UHFFFAOYSA-N 0 0 430.891 6.413 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910440 525063400 /nfs/dbraw/zinc/06/34/00/525063400.db2.gz STWZVLZBQVWJMV-SANMLTNESA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccc(NC(=O)CN[C@@H](c2cccs2)c2ccc(F)cc2)c(Br)c1 ZINC000012769655 525063598 /nfs/dbraw/zinc/06/35/98/525063598.db2.gz PZOQRRFIIDUYII-HXUWFJFHSA-N 0 0 433.346 5.276 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925188 525064316 /nfs/dbraw/zinc/06/43/16/525064316.db2.gz GMAXGPNTYBWGML-SANMLTNESA-N 0 0 428.557 5.515 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000035910393 525064616 /nfs/dbraw/zinc/06/46/16/525064616.db2.gz DHZYXUYZGONSBN-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)c1 ZINC000035928159 525064712 /nfs/dbraw/zinc/06/47/12/525064712.db2.gz VXPKFVFTFMAZOY-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 ZINC000015669774 525064758 /nfs/dbraw/zinc/06/47/58/525064758.db2.gz FWRZTRYJECAOFG-UHFFFAOYSA-N 0 0 440.575 5.044 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928492 525065309 /nfs/dbraw/zinc/06/53/09/525065309.db2.gz XYEQSVSCYXRKJS-RUZDIDTESA-N 0 0 431.561 5.092 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1C(C)C ZINC000035927552 525065493 /nfs/dbraw/zinc/06/54/93/525065493.db2.gz FEAWJHTXKRTCPT-SANMLTNESA-N 0 0 430.573 6.149 50 0 IKAARN C[C@@H](NC(=O)C1CCC1)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000012190824 525065436 /nfs/dbraw/zinc/06/54/36/525065436.db2.gz KZCIOWPNVREGCP-OAHLLOKOSA-N 0 0 433.021 5.570 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)cc1C ZINC000035534084 525082095 /nfs/dbraw/zinc/08/20/95/525082095.db2.gz DZWAODFTJMCKOV-UHFFFAOYSA-N 0 0 449.605 5.070 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 ZINC000013805392 525083587 /nfs/dbraw/zinc/08/35/87/525083587.db2.gz XCEYLXKLJKUVGF-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN C[C@@H](NC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000011872437 525091110 /nfs/dbraw/zinc/09/11/10/525091110.db2.gz NNPOFTHCBDVNFL-BCHFMIIMSA-N 0 0 432.589 5.264 50 0 IKAARN Cc1ccc(NC(=O)N2CCCN(Cc3nc4cc(Cl)ccc4o3)CC2)cc1Cl ZINC000021155727 525123261 /nfs/dbraw/zinc/12/32/61/525123261.db2.gz BVLQLAGVLTVFIY-UHFFFAOYSA-N 0 0 433.339 5.183 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1C ZINC000033113225 525125710 /nfs/dbraw/zinc/12/57/10/525125710.db2.gz WCNPRBKRWTYLOB-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1Cl ZINC000033258318 525135326 /nfs/dbraw/zinc/13/53/26/525135326.db2.gz LQWFAALYSMRSQD-UHFFFAOYSA-N 0 0 439.947 5.176 50 0 IKAARN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000012678397 525138531 /nfs/dbraw/zinc/13/85/31/525138531.db2.gz PNCNCRGTYRILHV-WMLDXEAASA-N 0 0 438.877 5.088 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3cccc([C@@H](C)O)c3)c2)C1=O ZINC000035180882 525140452 /nfs/dbraw/zinc/14/04/52/525140452.db2.gz YNNSOPRMVRNGMD-HXUWFJFHSA-N 0 0 443.547 5.133 50 0 IKAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000012528790 525141243 /nfs/dbraw/zinc/14/12/43/525141243.db2.gz HEWXTNDLFITSOH-FRYXCQQQSA-N 0 0 442.607 5.370 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)NCCC3=CCCCC3)c2)C1=O ZINC000035180896 525141393 /nfs/dbraw/zinc/14/13/93/525141393.db2.gz PJVSRCPCAACUAW-UHFFFAOYSA-N 0 0 431.580 5.448 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1F ZINC000012585933 525144240 /nfs/dbraw/zinc/14/42/40/525144240.db2.gz WHVYEBVERFIYSJ-MRXNPFEDSA-N 0 0 435.524 5.299 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1Cl ZINC000015724552 525144816 /nfs/dbraw/zinc/14/48/16/525144816.db2.gz CUZMZKBHVPVTSG-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000021536302 525149049 /nfs/dbraw/zinc/14/90/49/525149049.db2.gz IVLYKJUTDSDYAW-NDEPHWFRSA-N 0 0 435.571 7.046 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)cc1F ZINC000021536761 525149165 /nfs/dbraw/zinc/14/91/65/525149165.db2.gz UKEBCRFGZWSSRA-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1C ZINC000021536117 525149198 /nfs/dbraw/zinc/14/91/98/525149198.db2.gz LSMHMKIKZCBBLM-SANMLTNESA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000021888653 525149636 /nfs/dbraw/zinc/14/96/36/525149636.db2.gz ISYZTPDFKWWLFB-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000012441836 525151846 /nfs/dbraw/zinc/15/18/46/525151846.db2.gz QVNPJAWKMHMBNZ-UHFFFAOYSA-N 0 0 442.903 5.114 50 0 IKAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441905 525152127 /nfs/dbraw/zinc/15/21/27/525152127.db2.gz YKYDZYYQKURTQC-UHFFFAOYSA-N 0 0 438.940 5.284 50 0 IKAARN C[C@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000016685375 525159316 /nfs/dbraw/zinc/15/93/16/525159316.db2.gz BSUSCKKKXZBAFT-QLXKLKPCSA-N 0 0 440.572 5.550 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCCc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000035888317 525170009 /nfs/dbraw/zinc/17/00/09/525170009.db2.gz BBHOODNPEKDWPQ-JOCHJYFZSA-N 0 0 428.532 5.066 50 0 IKAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000020561171 525171853 /nfs/dbraw/zinc/17/18/53/525171853.db2.gz VNDKZDPCQRXQHV-HSZRJFAPSA-N 0 0 444.531 5.047 50 0 IKAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000021784722 525184894 /nfs/dbraw/zinc/18/48/94/525184894.db2.gz JHWLTHXMSXYIIY-IBGZPJMESA-N 0 0 435.549 5.044 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2C)cc1OCc1cc(=O)n2ccccc2n1 ZINC000021156733 525187980 /nfs/dbraw/zinc/18/79/80/525187980.db2.gz MPXFULAIABXBIQ-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccccc1 ZINC000021869108 525199122 /nfs/dbraw/zinc/19/91/22/525199122.db2.gz RHTSHSKSVZZRGT-MUUNZHRXSA-N 0 0 441.575 5.019 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1F ZINC000021527607 525199806 /nfs/dbraw/zinc/19/98/06/525199806.db2.gz GYOXLFCMVKBVNC-HHHXNRCGSA-N 0 0 447.554 5.034 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000015676976 525200763 /nfs/dbraw/zinc/20/07/63/525200763.db2.gz CGDVJYMVFPLWBL-AREMUKBSSA-N 0 0 449.982 5.553 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021864252 525200858 /nfs/dbraw/zinc/20/08/58/525200858.db2.gz SYIOUCUVVJITCR-HHHXNRCGSA-N 0 0 445.563 5.002 50 0 IKAARN C[C@H](NC(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)c1ccc(Br)cc1 ZINC000023333810 525205558 /nfs/dbraw/zinc/20/55/58/525205558.db2.gz FSYPWPKRAHOLCS-LBPRGKRZSA-N 0 0 430.323 5.397 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020734965 525206117 /nfs/dbraw/zinc/20/61/17/525206117.db2.gz DWOYOJYFIPEFNS-VIRAGPHVSA-N 0 0 426.969 5.543 50 0 IKAARN Cc1ccccc1Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2ccsc21 ZINC000035843854 525208563 /nfs/dbraw/zinc/20/85/63/525208563.db2.gz BSPBSVMSFRQLSG-UHFFFAOYSA-N 0 0 429.589 5.018 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021160047 525209975 /nfs/dbraw/zinc/20/99/75/525209975.db2.gz NHLDSCPSFKIEKS-OYRHEFFESA-N 0 0 444.623 5.114 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000021160138 525212331 /nfs/dbraw/zinc/21/23/31/525212331.db2.gz LBOPTJXOWGICCU-UHFFFAOYSA-N 0 0 442.538 5.387 50 0 IKAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012463080 525221043 /nfs/dbraw/zinc/22/10/43/525221043.db2.gz UVNCRGNHBLFMIL-XMMPIXPASA-N 0 0 448.444 7.045 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809674 525221421 /nfs/dbraw/zinc/22/14/21/525221421.db2.gz KPLWUHSVDDFYAD-RUZDIDTESA-N 0 0 435.593 5.269 50 0 IKAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)no1 ZINC000021356713 525227414 /nfs/dbraw/zinc/22/74/14/525227414.db2.gz UHJSONUJALJVSC-AWEZNQCLSA-N 0 0 445.928 5.128 50 0 IKAARN C[C@H](NC(=O)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1)c1ccccc1 ZINC000034684585 525228532 /nfs/dbraw/zinc/22/85/32/525228532.db2.gz UNNZNYIRVNGSFY-FQEVSTJZSA-N 0 0 433.983 5.153 50 0 IKAARN C[C@H](NC(=O)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)c1ccccc1 ZINC000035181082 525229802 /nfs/dbraw/zinc/22/98/02/525229802.db2.gz WORVHECKCXTFAC-IBGZPJMESA-N 0 0 431.511 5.149 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c(OC)c1 ZINC000021728860 525236239 /nfs/dbraw/zinc/23/62/39/525236239.db2.gz JPNFPZKVDLJLPV-QFIPXVFZSA-N 0 0 439.515 5.339 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000034728848 525237167 /nfs/dbraw/zinc/23/71/67/525237167.db2.gz WPWWDCSMBLYNBF-UHFFFAOYSA-N 0 0 431.511 5.110 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000015724607 525239464 /nfs/dbraw/zinc/23/94/64/525239464.db2.gz CMBJNHDSJNEXSM-NRFANRHFSA-N 0 0 445.321 6.505 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)n(-c2ccccn2)n1 ZINC000012562539 525240061 /nfs/dbraw/zinc/24/00/61/525240061.db2.gz HEMQZYFBTKTXNM-UHFFFAOYSA-N 0 0 439.906 5.697 50 0 IKAARN Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c(C)c1 ZINC000012447116 525240228 /nfs/dbraw/zinc/24/02/28/525240228.db2.gz PULGFEKFXJHJFM-AREMUKBSSA-N 0 0 430.573 5.372 50 0 IKAARN C[C@H](NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)c1ccccc1Cl ZINC000012812597 525241440 /nfs/dbraw/zinc/24/14/40/525241440.db2.gz AMSZUQOLGKQZIF-INIZCTEOSA-N 0 0 449.967 5.099 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000023004317 525242164 /nfs/dbraw/zinc/24/21/64/525242164.db2.gz OJOVPCLKDPRTOL-FQEVSTJZSA-N 0 0 440.544 5.055 50 0 IKAARN Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012733071 525244540 /nfs/dbraw/zinc/24/45/40/525244540.db2.gz MULIFOBHFQZECS-UHFFFAOYSA-N 0 0 449.359 5.284 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(Br)c1 ZINC000012808100 525247418 /nfs/dbraw/zinc/24/74/18/525247418.db2.gz XOIXYGVZRXHCDS-UHFFFAOYSA-N 0 0 446.348 5.922 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000021624404 525247582 /nfs/dbraw/zinc/24/75/82/525247582.db2.gz DHPCGPCARNXPCJ-GJZUVCINSA-N 0 0 442.559 5.064 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021893882 525250976 /nfs/dbraw/zinc/25/09/76/525250976.db2.gz OSYDYFTUFGXCAM-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(Cl)c1 ZINC000033088583 525259217 /nfs/dbraw/zinc/25/92/17/525259217.db2.gz XQTLLQZIRXLBBR-UHFFFAOYSA-N 0 0 437.834 5.086 50 0 IKAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4cccc(C)c4C)CC3)s2)cc1 ZINC000033114044 525261024 /nfs/dbraw/zinc/26/10/24/525261024.db2.gz MZTAIHNCXPOOMT-UHFFFAOYSA-N 0 0 449.580 5.127 50 0 IKAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000012196766 525270303 /nfs/dbraw/zinc/27/03/03/525270303.db2.gz TXROMJPSJISKAU-CPJSRVTESA-N 0 0 434.467 5.094 50 0 IKAARN Cc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000021659390 525274650 /nfs/dbraw/zinc/27/46/50/525274650.db2.gz JZZFWVMQFQAYEP-UHFFFAOYSA-N 0 0 428.923 5.823 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000021715556 525277243 /nfs/dbraw/zinc/27/72/43/525277243.db2.gz LMUDRZIWOUZCLE-AREMUKBSSA-N 0 0 425.532 5.030 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000021880003 525277252 /nfs/dbraw/zinc/27/72/52/525277252.db2.gz QDMVPXONPSRPBD-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021879915 525277602 /nfs/dbraw/zinc/27/76/02/525277602.db2.gz YVIYVGSBXZZGRI-XMMPIXPASA-N 0 0 431.923 6.010 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021892185 525281556 /nfs/dbraw/zinc/28/15/56/525281556.db2.gz DLVRIUNTWPOTIJ-RUZDIDTESA-N 0 0 427.479 5.762 50 0 IKAARN Cc1ccccc1OCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000012463133 525294375 /nfs/dbraw/zinc/29/43/75/525294375.db2.gz YWFKBUQENNHQBA-UHFFFAOYSA-N 0 0 428.576 6.690 50 0 IKAARN Cc1cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)ccc1Br ZINC000021104445 525304305 /nfs/dbraw/zinc/30/43/05/525304305.db2.gz HMVGTLCPJNXRFA-HXUWFJFHSA-N 0 0 426.289 5.058 50 0 IKAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c(Br)c1 ZINC000021104387 525314353 /nfs/dbraw/zinc/31/43/53/525314353.db2.gz OLTNCHBMYOPQMT-FQEVSTJZSA-N 0 0 426.289 5.058 50 0 IKAARN Cc1ccccc1OCc1nnc(S[C@H](C)c2nc(C(C)C)no2)n1-c1ccccc1 ZINC000012527621 525317259 /nfs/dbraw/zinc/31/72/59/525317259.db2.gz XIEWBHLYUXHIJV-QGZVFWFLSA-N 0 0 435.553 5.514 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(C)n2)cc1 ZINC000021794565 525323248 /nfs/dbraw/zinc/32/32/48/525323248.db2.gz ALZMTEFEPBFDSW-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN C[C@@H](NC(=O)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1)c1ccccc1 ZINC000021725186 525329796 /nfs/dbraw/zinc/32/97/96/525329796.db2.gz PVHNHKSDFSLDML-LJQANCHMSA-N 0 0 431.511 5.149 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)s2)cc1C ZINC000021844533 525330606 /nfs/dbraw/zinc/33/06/06/525330606.db2.gz CYYUMNPWIIENIT-INIZCTEOSA-N 0 0 430.624 5.416 50 0 IKAARN COc1ccc([C@H](CC(=O)NCCc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000035888319 525344166 /nfs/dbraw/zinc/34/41/66/525344166.db2.gz BBHOODNPEKDWPQ-QFIPXVFZSA-N 0 0 428.532 5.066 50 0 IKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)[C@@H]2O ZINC000390834917 525351859 /nfs/dbraw/zinc/35/18/59/525351859.db2.gz RIONAUVSGZOBSY-PDQRKMNRSA-N 0 0 444.493 6.201 50 0 IKAARN C[S@@](=O)(=NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000012366954 525360236 /nfs/dbraw/zinc/36/02/36/525360236.db2.gz YSSKVQKLAWZZFJ-MHZLTWQESA-N 0 0 429.769 5.675 50 0 IKAARN COc1ccc([C@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc2)cc1 ZINC000012608753 525366012 /nfs/dbraw/zinc/36/60/12/525366012.db2.gz NEADTRSVXMBJQM-OAQYLSRUSA-N 0 0 432.467 5.107 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020734969 525378760 /nfs/dbraw/zinc/37/87/60/525378760.db2.gz DWOYOJYFIPEFNS-WTNHLSBYSA-N 0 0 426.969 5.543 50 0 IKAARN C[C@@H](NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N)C12CC3CC(CC(C3)C1)C2 ZINC000012383188 525383981 /nfs/dbraw/zinc/38/39/81/525383981.db2.gz GNGHIFVIGWOFLF-JZBBYPHDSA-N 0 0 432.593 5.275 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705261 525394729 /nfs/dbraw/zinc/39/47/29/525394729.db2.gz AGSZXVWTENWTRB-UHFFFAOYSA-N 0 0 431.517 5.355 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc2c1CCCC2 ZINC000021536847 525395567 /nfs/dbraw/zinc/39/55/67/525395567.db2.gz QRHCBWODJFKXJY-GDLZYMKVSA-N 0 0 447.582 6.802 50 0 IKAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc1 ZINC000035671766 525397460 /nfs/dbraw/zinc/39/74/60/525397460.db2.gz LWSGRSSIGAMXPG-UHFFFAOYSA-N 0 0 443.528 5.388 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC ZINC000021728875 525403506 /nfs/dbraw/zinc/40/35/06/525403506.db2.gz IGNFCNXGFLMUAD-OAQYLSRUSA-N 0 0 439.515 5.339 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012783811 525406791 /nfs/dbraw/zinc/40/67/91/525406791.db2.gz OFVJPGUVAZBHIW-XMMPIXPASA-N 0 0 435.568 5.083 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000021624410 525410019 /nfs/dbraw/zinc/41/00/19/525410019.db2.gz DHPCGPCARNXPCJ-ATIYNZHBSA-N 0 0 442.559 5.064 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000021624422 525413141 /nfs/dbraw/zinc/41/31/41/525413141.db2.gz DHPCGPCARNXPCJ-BKMJKUGQSA-N 0 0 442.559 5.064 50 0 IKAARN Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035190158 525420618 /nfs/dbraw/zinc/42/06/18/525420618.db2.gz PJISJAACZDCYRU-KRWDZBQOSA-N 0 0 429.486 5.197 50 0 IKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)c4cccc(F)c4)cc3s2)cc1 ZINC000020895142 525425246 /nfs/dbraw/zinc/42/52/46/525425246.db2.gz UXJIJOAOMXVDOP-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN Cc1ccc(OCCOCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1C ZINC000020394915 525425419 /nfs/dbraw/zinc/42/54/19/525425419.db2.gz OZWNNQHGNFIWBJ-XSFVSMFZSA-N 0 0 429.563 5.107 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(Cl)c1 ZINC000020216434 525425466 /nfs/dbraw/zinc/42/54/66/525425466.db2.gz IURIQYVLKCRPOK-UHFFFAOYSA-N 0 0 437.996 6.473 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccccc1C ZINC000012514157 525429711 /nfs/dbraw/zinc/42/97/11/525429711.db2.gz YUXVGZXVJRJTPT-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN COc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OCc1ccccc1 ZINC000012572856 525430504 /nfs/dbraw/zinc/43/05/04/525430504.db2.gz HZPZYAYYTJDLDS-MHZLTWQESA-N 0 0 433.511 6.263 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@H](Nc1ccccn1)c1ccccn1 ZINC000021805811 525431369 /nfs/dbraw/zinc/43/13/69/525431369.db2.gz ILXXXTUCUSUBRF-HHHXNRCGSA-N 0 0 447.542 6.029 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1OC ZINC000012437279 525431910 /nfs/dbraw/zinc/43/19/10/525431910.db2.gz VSTGRFASKVXDLM-RBJSKKJNSA-N 0 0 436.511 6.099 50 0 IKAARN COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012193989 525432787 /nfs/dbraw/zinc/43/27/87/525432787.db2.gz RSQJJSXNXBRMGB-ISKFKSNPSA-N 0 0 439.342 6.553 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CN(CCC(C)C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000035535117 525433654 /nfs/dbraw/zinc/43/36/54/525433654.db2.gz CKQYODYDVMLAKX-UHFFFAOYSA-N 0 0 429.564 5.680 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C ZINC000012600407 525433873 /nfs/dbraw/zinc/43/38/73/525433873.db2.gz CRGVFPHXCCAAPV-UHFFFAOYSA-N 0 0 425.941 5.396 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CC(=O)c2ccc(Cl)cc2)cc1 ZINC000020248337 525437815 /nfs/dbraw/zinc/43/78/15/525437815.db2.gz VWQUOYJZNLMPRI-SANMLTNESA-N 0 0 430.935 5.660 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)cc2)c(F)c1 ZINC000020452943 525438078 /nfs/dbraw/zinc/43/80/78/525438078.db2.gz RLPHFLOKGGFPFZ-MHZLTWQESA-N 0 0 443.522 5.422 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000015724877 525438355 /nfs/dbraw/zinc/43/83/55/525438355.db2.gz LUUYOWCDVGLPMB-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021879925 525438665 /nfs/dbraw/zinc/43/86/65/525438665.db2.gz VXKFSXNWAVTMQW-DEOSSOPVSA-N 0 0 431.923 6.010 50 0 IKAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Nc3c4ccccc4oc(=O)c32)cc1 ZINC000012561727 525438770 /nfs/dbraw/zinc/43/87/70/525438770.db2.gz UWAIOUIGXXBGGQ-QHCPKHFHSA-N 0 0 435.483 5.533 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000012542230 525440216 /nfs/dbraw/zinc/44/02/16/525440216.db2.gz SRDRAWBNHDQKEJ-MKSRXEMYSA-N 0 0 441.571 6.129 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021891991 525442271 /nfs/dbraw/zinc/44/22/71/525442271.db2.gz YKQDDTLTPLUGNZ-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000021892149 525442517 /nfs/dbraw/zinc/44/25/17/525442517.db2.gz PWJRPANEFXMDQY-SANMLTNESA-N 0 0 441.506 6.071 50 0 IKAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000012344282 525442994 /nfs/dbraw/zinc/44/29/94/525442994.db2.gz WKZAYYXVNXXTPH-DEOSSOPVSA-N 0 0 433.552 5.440 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1OC ZINC000021892701 525443094 /nfs/dbraw/zinc/44/30/94/525443094.db2.gz ZIYNLPWVCMCKHP-VWLOTQADSA-N 0 0 433.552 5.155 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(F)cc2)cc1 ZINC000021892272 525443297 /nfs/dbraw/zinc/44/32/97/525443297.db2.gz SYHPPMFFOLQEOZ-SANMLTNESA-N 0 0 441.506 5.440 50 0 IKAARN COc1ccc([C@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446972 525444370 /nfs/dbraw/zinc/44/43/70/525444370.db2.gz BKARIVRTTVHMED-LOSJGSFVSA-N 0 0 432.004 5.088 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020677716 525447466 /nfs/dbraw/zinc/44/74/66/525447466.db2.gz FOHYXUZZIWGCGD-MHZLTWQESA-N 0 0 439.559 5.009 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Br)c(C)c3)cs2)cc1 ZINC000018230463 525448256 /nfs/dbraw/zinc/44/82/56/525448256.db2.gz ZNSCBFLWRGJDLL-UHFFFAOYSA-N 0 0 431.355 5.283 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc2c1CCCC2 ZINC000021536845 525449044 /nfs/dbraw/zinc/44/90/44/525449044.db2.gz QRHCBWODJFKXJY-LJAQVGFWSA-N 0 0 447.582 6.802 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1Cl ZINC000021536813 525449446 /nfs/dbraw/zinc/44/94/46/525449446.db2.gz UZCUERUXSGZLOE-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012600039 525476313 /nfs/dbraw/zinc/47/63/13/525476313.db2.gz MTHHANWDPJTHGC-UHFFFAOYSA-N 0 0 432.564 5.449 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000012822444 525476820 /nfs/dbraw/zinc/47/68/20/525476820.db2.gz UNHDVRDHSIJECZ-UHFFFAOYSA-N 0 0 434.561 5.715 50 0 IKAARN Cc1cccnc1-n1c(=O)c2ccccc2nc1SCc1nc2ccccc2n1C(F)F ZINC000012782043 525477129 /nfs/dbraw/zinc/47/71/29/525477129.db2.gz UWLYPCLPWCJKSN-UHFFFAOYSA-N 0 0 449.486 5.126 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cccc(C)c3)c2c1 ZINC000017135408 525480561 /nfs/dbraw/zinc/48/05/61/525480561.db2.gz QLJQPMUINBTGEL-UHFFFAOYSA-N 0 0 433.577 5.828 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)NCc3ccccc3)c2c1 ZINC000016977489 525480959 /nfs/dbraw/zinc/48/09/59/525480959.db2.gz QQOYYPZRIWUZMP-UHFFFAOYSA-N 0 0 433.577 5.197 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)c2c1 ZINC000016977506 525481599 /nfs/dbraw/zinc/48/15/99/525481599.db2.gz GRWHVRVYDIPRFW-UHFFFAOYSA-N 0 0 437.540 5.659 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1C)[C@H]3c1ccc(F)cc1 ZINC000021880109 525482687 /nfs/dbraw/zinc/48/26/87/525482687.db2.gz HDAMBOWUMPMMCB-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1Cl)[C@H]3c1ccc(C)cc1 ZINC000015725439 525482905 /nfs/dbraw/zinc/48/29/05/525482905.db2.gz ANPWQCSUCPALMR-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(Cl)c1)[C@H]3c1ccccc1C ZINC000020607294 525482973 /nfs/dbraw/zinc/48/29/73/525482973.db2.gz JFAZAZHEYMBDMO-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(CC(C)C)on1)[C@@H]3c1ccc(F)cc1 ZINC000021779843 525483027 /nfs/dbraw/zinc/48/30/27/525483027.db2.gz ZLOFXCVEAWSLKV-RUZDIDTESA-N 0 0 447.510 5.290 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000035476944 525483149 /nfs/dbraw/zinc/48/31/49/525483149.db2.gz KMNCRMCGOFRNRL-QFIPXVFZSA-N 0 0 446.551 6.056 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476948 525483369 /nfs/dbraw/zinc/48/33/69/525483369.db2.gz WOAMUVFQNUQPMB-NRFANRHFSA-N 0 0 429.549 5.312 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(N(C)C)c1)[C@@H]3c1ccc(F)cc1 ZINC000021779961 525483403 /nfs/dbraw/zinc/48/34/03/525483403.db2.gz UZZTWZWVGSUGTN-AREMUKBSSA-N 0 0 443.522 5.170 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1F)[C@H]3c1ccc(F)cc1 ZINC000021880132 525483540 /nfs/dbraw/zinc/48/35/40/525483540.db2.gz HMUVMNZILZMDMJ-DEOSSOPVSA-N 0 0 433.458 5.634 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1OC)[C@@H]3c1ccc(F)cc1 ZINC000021779891 525484150 /nfs/dbraw/zinc/48/41/50/525484150.db2.gz NLBGEIRGORVZIQ-RUZDIDTESA-N 0 0 430.479 5.112 50 0 IKAARN COc1ccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccc(C(C)C)cc4)n3)c2c1 ZINC000012296980 525492345 /nfs/dbraw/zinc/49/23/45/525492345.db2.gz RSQFEOZNIOIZPW-UHFFFAOYSA-N 0 0 433.577 5.325 50 0 biogenic IKAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCC[C@H]3c3ccc(OC)c4ccccc43)c2c1 ZINC000248265668 525494699 /nfs/dbraw/zinc/49/46/99/525494699.db2.gz YZGSNPDDOYRMNG-ZCYQVOJMSA-N 0 0 430.504 5.301 50 0 IKAARN COc1ccc2c(C)cc(S[C@@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)nc2c1 ZINC000012546903 525497403 /nfs/dbraw/zinc/49/74/03/525497403.db2.gz UKBPFEXGKQSHHY-HHHXNRCGSA-N 0 0 438.552 6.749 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000020511892 525501021 /nfs/dbraw/zinc/50/10/21/525501021.db2.gz HIECZOCDEIMPPP-SAHWJRBASA-N 0 0 438.543 5.450 50 0 IKAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000035684951 525507297 /nfs/dbraw/zinc/50/72/97/525507297.db2.gz UXYIDMPRWSSANC-KRWDZBQOSA-N 0 0 428.414 5.357 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccc(F)cc2)cc1 ZINC000016309863 525508754 /nfs/dbraw/zinc/50/87/54/525508754.db2.gz LSGVCGYFTIOQNC-UHFFFAOYSA-N 0 0 448.519 5.121 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000035684941 525508864 /nfs/dbraw/zinc/50/88/64/525508864.db2.gz FDPDWCCCTKQVHU-OAHLLOKOSA-N 0 0 434.805 5.101 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000035684942 525509428 /nfs/dbraw/zinc/50/94/28/525509428.db2.gz FDPDWCCCTKQVHU-HNNXBMFYSA-N 0 0 434.805 5.101 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000035685012 525509471 /nfs/dbraw/zinc/50/94/71/525509471.db2.gz FWNVGWNSPCHUKE-MRXNPFEDSA-N 0 0 448.376 5.068 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476949 525538450 /nfs/dbraw/zinc/53/84/50/525538450.db2.gz WOAMUVFQNUQPMB-OAQYLSRUSA-N 0 0 429.549 5.312 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476965 525538531 /nfs/dbraw/zinc/53/85/31/525538531.db2.gz VIUWVYKESWJMJK-HXUWFJFHSA-N 0 0 434.590 5.979 50 0 IKAARN Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020734462 525541830 /nfs/dbraw/zinc/54/18/30/525541830.db2.gz XFAZBYOLRKISAC-HSZRJFAPSA-N 0 0 425.532 5.081 50 0 IKAARN CSCC[C@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000012560227 525586641 /nfs/dbraw/zinc/58/66/41/525586641.db2.gz SITSBMCWGXHLHI-HNNXBMFYSA-N 0 0 426.032 5.122 50 0 IKAARN COc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cc(Br)c(OC)c(OC)c1)N2 ZINC000015017877 525593051 /nfs/dbraw/zinc/59/30/51/525593051.db2.gz YLINBZRSMWYZHZ-GKCIPKSASA-N 0 0 434.330 5.109 50 0 IKAARN CSCC[C@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1nc2ccccc2[nH]1 ZINC000012534955 525593750 /nfs/dbraw/zinc/59/37/50/525593750.db2.gz FSPMPQXAVKJWFE-INIZCTEOSA-N 0 0 428.608 5.281 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)N(C)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012684816 525601804 /nfs/dbraw/zinc/60/18/04/525601804.db2.gz FJDXNYYTNJDXBE-UHFFFAOYSA-N 0 0 446.934 5.506 50 0 IKAARN COc1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)cc2-c1ccccc1 ZINC000012533424 525606941 /nfs/dbraw/zinc/60/69/41/525606941.db2.gz DSJLZSYNJKFYHR-IXFSTUDKSA-N 0 0 434.605 6.086 50 0 IKAARN COc1ccc2c(c1)s/c(=N/C(=O)c1cc(-c3cccs3)nc3ccccc31)n2C ZINC000012139821 525608681 /nfs/dbraw/zinc/60/86/81/525608681.db2.gz XBYVSQFEGKOYPU-WJTDDFOZSA-N 0 0 431.542 5.266 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000034914962 525609899 /nfs/dbraw/zinc/60/98/99/525609899.db2.gz UGKHXOBAVAOLCT-UHFFFAOYSA-N 0 0 432.257 6.147 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882937 525611963 /nfs/dbraw/zinc/61/19/63/525611963.db2.gz BKIKXRDIBVZTOU-MHECFPHRSA-N 0 0 426.516 5.126 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(Br)cc2)cc1 ZINC000001175997 525614668 /nfs/dbraw/zinc/61/46/68/525614668.db2.gz WUWYJCTZZGRXSJ-UHFFFAOYSA-N 0 0 431.355 5.170 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(C[C@H](C)c2ccccc2)C3=O)o1 ZINC000021810784 525618081 /nfs/dbraw/zinc/61/80/81/525618081.db2.gz VSEDBXSPLOPKSB-XRHLQHRESA-N 0 0 447.579 5.010 50 0 IKAARN COc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)c4cccc5ccccc54)C3)n(C)c2c1 ZINC000012449207 525620460 /nfs/dbraw/zinc/62/04/60/525620460.db2.gz HJKIEPITAKCUKT-HXUWFJFHSA-N 0 0 426.516 5.075 50 0 IKAARN Cc1c(C(=O)NCc2ccc(C)cc2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490134 525628073 /nfs/dbraw/zinc/62/80/73/525628073.db2.gz FJEJBEARBDYELA-UHFFFAOYSA-N 0 0 445.950 5.490 50 0 IKAARN Cc1c(C(=O)NCc2cccs2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490093 525629920 /nfs/dbraw/zinc/62/99/20/525629920.db2.gz CFZSYCDLQXEIPD-UHFFFAOYSA-N 0 0 437.952 5.243 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490057 525630641 /nfs/dbraw/zinc/63/06/41/525630641.db2.gz PJMMHYAXTDMACL-UHFFFAOYSA-N 0 0 431.923 5.182 50 0 IKAARN C[C@@H](N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Br)cc1)c1ccccc1 ZINC000021367032 525631280 /nfs/dbraw/zinc/63/12/80/525631280.db2.gz PSSFRUUBWKMUPP-IIBYNOLFSA-N 0 0 434.337 5.939 50 0 IKAARN COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 ZINC000033293762 525648038 /nfs/dbraw/zinc/64/80/38/525648038.db2.gz MKMCERYGAKDLLW-UDWIEESQSA-N 0 0 425.893 5.751 50 0 IKAARN Cc1c(C(=O)Nc2c(C)cccc2C)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490211 525651726 /nfs/dbraw/zinc/65/17/26/525651726.db2.gz RTDBGOIPBHUKCC-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN COc1ccc2ccccc2c1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1cc(Cl)ccc1C ZINC000015746507 525654391 /nfs/dbraw/zinc/65/43/91/525654391.db2.gz UKBFFYZSINLRMY-QFIPXVFZSA-N 0 0 435.911 5.077 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490097 525654619 /nfs/dbraw/zinc/65/46/19/525654619.db2.gz VLYLQYLYARAMDS-UHFFFAOYSA-N 0 0 431.923 5.813 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490043 525655007 /nfs/dbraw/zinc/65/50/07/525655007.db2.gz LHRIOXHGYTYHTJ-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4C(F)(F)F)c3)cn2n1 ZINC000012441266 525655062 /nfs/dbraw/zinc/65/50/62/525655062.db2.gz ATNQLTUEKWTSGU-UHFFFAOYSA-N 0 0 446.816 5.329 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(Cl)ccc3F)sc2c1 ZINC000021660625 525656998 /nfs/dbraw/zinc/65/69/98/525656998.db2.gz SAJHHRKLAXCPAO-CQSZACIVSA-N 0 0 442.903 5.066 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C(C)C)cc3)sc2c1 ZINC000033271646 525657322 /nfs/dbraw/zinc/65/73/22/525657322.db2.gz WHMCXHOWVRHSFC-GOSISDBHSA-N 0 0 432.549 5.397 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(OC(C)C)cc3)sc2c1 ZINC000033271623 525657347 /nfs/dbraw/zinc/65/73/47/525657347.db2.gz XTYAFKJBSJSJQJ-SFHVURJKSA-N 0 0 448.548 5.060 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2F)sc2ncnc(N3CCc4ccccc4C3)c12 ZINC000020762745 525658270 /nfs/dbraw/zinc/65/82/70/525658270.db2.gz HKXKGBJIOUXDDL-UHFFFAOYSA-N 0 0 436.487 5.093 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncn(CCc3ccccc3)c(=O)c12 ZINC000035672015 525658626 /nfs/dbraw/zinc/65/86/26/525658626.db2.gz OQPDXRSFTCMMNH-UHFFFAOYSA-N 0 0 437.952 5.223 50 0 IKAARN Cc1ccc(SCCOC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC000033581383 525658927 /nfs/dbraw/zinc/65/89/27/525658927.db2.gz OELKDWPRCVFGAJ-LTGZKZEYSA-N 0 0 448.573 5.044 50 0 IKAARN Cc1ccc(SCCOC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC000012550273 525659980 /nfs/dbraw/zinc/65/99/80/525659980.db2.gz OELKDWPRCVFGAJ-PGMHBOJBSA-N 0 0 448.573 5.044 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@@H](c1cccc(F)c1)CC(=O)N2 ZINC000015106718 525660179 /nfs/dbraw/zinc/66/01/79/525660179.db2.gz JPVAQWLGYXSPRI-MRXNPFEDSA-N 0 0 448.441 5.941 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2cc1C ZINC000012651153 525667959 /nfs/dbraw/zinc/66/79/59/525667959.db2.gz NVPIOIKYZZFOOE-UHFFFAOYSA-N 0 0 426.903 7.171 50 0 IKAARN Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012779308 525672965 /nfs/dbraw/zinc/67/29/65/525672965.db2.gz IRMAQMZQXALOFP-UHFFFAOYSA-N 0 0 431.561 5.032 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccccc4Cl)cc3)cc(=O)n2o1 ZINC000041089709 525676191 /nfs/dbraw/zinc/67/61/91/525676191.db2.gz DGFOODCESDXSID-UHFFFAOYSA-N 0 0 440.912 5.186 50 0 IKAARN Cc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000041154350 525676801 /nfs/dbraw/zinc/67/68/01/525676801.db2.gz FKLAFEWJOSEDCW-UHFFFAOYSA-N 0 0 441.581 7.295 50 0 IKAARN Cc1c(C)n(C(=O)CSc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)c2ccccc12 ZINC000012587591 525681055 /nfs/dbraw/zinc/68/10/55/525681055.db2.gz ZGTRLEAMOWVGOX-UHFFFAOYSA-N 0 0 449.601 5.787 50 0 IKAARN Cc1c(C)n(C2CCCC2)c(NC(=O)c2ccco2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012391510 525681198 /nfs/dbraw/zinc/68/11/98/525681198.db2.gz RTXZADOFMSVRLG-UHFFFAOYSA-N 0 0 426.538 5.207 50 0 IKAARN Cc1cc2oc(=O)cc(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)c2cc1C ZINC000012861412 525689819 /nfs/dbraw/zinc/68/98/19/525689819.db2.gz MJKJNFOQQAYZDR-UHFFFAOYSA-N 0 0 432.476 5.036 50 0 IKAARN COc1cccc(-c2cc(OCC(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)c1 ZINC000032985631 525707695 /nfs/dbraw/zinc/70/76/95/525707695.db2.gz VUAATOPXWOCTOZ-UHFFFAOYSA-N 0 0 448.906 5.590 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)c4ccccc4)sc3n2)cc1 ZINC000012249975 525713443 /nfs/dbraw/zinc/71/34/43/525713443.db2.gz YKIVDIINRKJTJO-UHFFFAOYSA-N 0 0 434.564 7.060 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3ccccc3C)n2)cc1 ZINC000021659614 525713804 /nfs/dbraw/zinc/71/38/04/525713804.db2.gz ORLJBXWZBOTHNB-UHFFFAOYSA-N 0 0 442.950 6.131 50 0 IKAARN Cc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CN3CCc4ccccc4C3)n2)cc1 ZINC000021659476 525714055 /nfs/dbraw/zinc/71/40/55/525714055.db2.gz NDHLMQKCNHJQFO-UHFFFAOYSA-N 0 0 434.543 5.116 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3ccccc3)n2)cc1 ZINC000021659590 525714498 /nfs/dbraw/zinc/71/44/98/525714498.db2.gz VIKBTSKCZFEZMP-UHFFFAOYSA-N 0 0 428.923 5.823 50 0 IKAARN Cc1ccc(-c2cc(-c3coc4ccc(C)cc4c3=O)c3c(n2)-c2ccccc2OC3)cc1 ZINC000020847499 525714715 /nfs/dbraw/zinc/71/47/15/525714715.db2.gz AQMQHUCFKMSXLI-UHFFFAOYSA-N 0 0 431.491 6.698 50 0 IKAARN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cc(F)cc(F)c3)CC2)c1 ZINC000012299269 525716712 /nfs/dbraw/zinc/71/67/12/525716712.db2.gz RWIHDMNCYJSDKR-UHFFFAOYSA-N 0 0 436.502 5.491 50 0 IKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021025046 525725939 /nfs/dbraw/zinc/72/59/39/525725939.db2.gz RNYQOJSXJJDWBC-UHFFFAOYSA-N 0 0 426.944 5.523 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)no2)c(C)c1 ZINC000036012349 525732364 /nfs/dbraw/zinc/73/23/64/525732364.db2.gz FCMHKPSVXXVKBR-UHFFFAOYSA-N 0 0 430.460 5.123 50 0 IKAARN COc1cccc(-c2nnc(SC[C@@H](O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000012264713 525733484 /nfs/dbraw/zinc/73/34/84/525733484.db2.gz VHAYJUALHNIUCX-OAQYLSRUSA-N 0 0 437.952 5.422 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C(F)(F)F)nccn3n2)cc1 ZINC000017051667 525738220 /nfs/dbraw/zinc/73/82/20/525738220.db2.gz CTMDLQFFBXYSIF-UHFFFAOYSA-N 0 0 442.466 5.454 50 0 IKAARN COc1cccc(-c2noc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000035726442 525740249 /nfs/dbraw/zinc/74/02/49/525740249.db2.gz MNAILZZUUMNAIH-SFHVURJKSA-N 0 0 431.414 5.131 50 0 IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2Cl)c1 ZINC000020605330 525742737 /nfs/dbraw/zinc/74/27/37/525742737.db2.gz UMDLTVOYFOXEAT-UHFFFAOYSA-N 0 0 447.947 5.821 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3cccnc3)nc12 ZINC000019637498 525749371 /nfs/dbraw/zinc/74/93/71/525749371.db2.gz PBWVSYXYBCMIFO-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN Cc1c(Cl)cccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccncc1 ZINC000012527620 525749914 /nfs/dbraw/zinc/74/99/14/525749914.db2.gz DFUYOMLLXJKJJU-AWEZNQCLSA-N 0 0 440.960 5.651 50 0 IKAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccc(C(C)C)cc4)C3)nn2)cc1 ZINC000035398194 525752380 /nfs/dbraw/zinc/75/23/80/525752380.db2.gz DTMHEIDNNCKOHQ-DEOSSOPVSA-N 0 0 428.580 5.108 50 0 IKAARN COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012603034 525753179 /nfs/dbraw/zinc/75/31/79/525753179.db2.gz HTDLNUZGSCTGJL-UHFFFAOYSA-N 0 0 441.862 5.284 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021856908 525759126 /nfs/dbraw/zinc/75/91/26/525759126.db2.gz ZRWQPLPYRFASMV-RUZDIDTESA-N 0 0 435.955 5.081 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810533 525759855 /nfs/dbraw/zinc/75/98/55/525759855.db2.gz JOKCDUXOHFDEFP-XMMPIXPASA-N 0 0 439.943 5.064 50 0 IKAARN CSCc1nc2ccccc2n1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009889909 525764172 /nfs/dbraw/zinc/76/41/72/525764172.db2.gz MADLUWURPODEFP-JOCHJYFZSA-N 0 0 425.554 5.006 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(C)cc4)cc3NC2=O)c1 ZINC000020734367 525765290 /nfs/dbraw/zinc/76/52/90/525765290.db2.gz AKJUIOFETMCTOO-BUVRLJJBSA-N 0 0 444.556 5.061 50 0 biogenic IKAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2nc(N3CCC[C@@H](C)C3)sc21 ZINC000035533734 525766417 /nfs/dbraw/zinc/76/64/17/525766417.db2.gz JZGYJCILKLNMBZ-GFCCVEGCSA-N 0 0 448.017 5.015 50 0 IKAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)CC(C)C)C(C)C)n2)cc1 ZINC000036051281 525766606 /nfs/dbraw/zinc/76/66/06/525766606.db2.gz MHKKKHOETDGNAI-UHFFFAOYSA-N 0 0 446.595 5.378 50 0 IKAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000017121330 525767284 /nfs/dbraw/zinc/76/72/84/525767284.db2.gz VLGYLPVAIOATEN-UHFFFAOYSA-N 0 0 441.716 5.373 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000014495133 525769002 /nfs/dbraw/zinc/76/90/02/525769002.db2.gz GCKDRXHYKBUALR-OAQYLSRUSA-N 0 0 427.331 5.802 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCCC[C@H]4C)cc3N(C)C2=O)c1 ZINC000020180461 525770678 /nfs/dbraw/zinc/77/06/78/525770678.db2.gz OKRAUMCWEFLSHA-KTKVCYSRSA-N 0 0 436.577 5.113 50 0 IKAARN Cc1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c(C)c1 ZINC000012369437 525778363 /nfs/dbraw/zinc/77/83/63/525778363.db2.gz TZBFAVHXBMDFJY-UHFFFAOYSA-N 0 0 426.463 7.300 50 0 IKAARN Cc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1C ZINC000033040037 525778410 /nfs/dbraw/zinc/77/84/10/525778410.db2.gz KZYNQTUIROVNPH-UHFFFAOYSA-N 0 0 427.392 6.980 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc(Br)cc4)cc3)n2)cc1 ZINC000021363340 525779987 /nfs/dbraw/zinc/77/99/87/525779987.db2.gz WODUPBDYEQBSJI-UHFFFAOYSA-N 0 0 448.320 6.724 50 0 IKAARN Cc1c(Cl)cccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn21 ZINC000035616335 525781608 /nfs/dbraw/zinc/78/16/08/525781608.db2.gz PUXXBJRXILSNKZ-UHFFFAOYSA-N 0 0 429.705 5.570 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2ccc(C)c(C)c2)n(C)c3=O)cc1 ZINC000023126906 525786029 /nfs/dbraw/zinc/78/60/29/525786029.db2.gz WNVYQUQNTCSWAB-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5Cl)no4)c(=O)c23)cc1C ZINC000012769595 525787364 /nfs/dbraw/zinc/78/73/64/525787364.db2.gz ODTMVGYNXDWONU-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCC1=CCCCC1 ZINC000021869055 525790123 /nfs/dbraw/zinc/79/01/23/525790123.db2.gz ZQRWSIMBQUYPCT-NDEPHWFRSA-N 0 0 445.607 5.319 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(F)c1 ZINC000020903242 525793538 /nfs/dbraw/zinc/79/35/38/525793538.db2.gz COXFYLZFWNQNOB-SANMLTNESA-N 0 0 433.527 5.039 50 0 IKAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSC(=S)N2CCCCC2)cc1 ZINC000033814639 525794382 /nfs/dbraw/zinc/79/43/82/525794382.db2.gz SBOLAASDDBYXNL-IBGZPJMESA-N 0 0 443.663 5.238 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1[C@H]1CCCc2ccccc21 ZINC000020387404 525794150 /nfs/dbraw/zinc/79/41/50/525794150.db2.gz QPSKOJUHFZTYQF-LSYYVWMOSA-N 0 0 430.592 5.360 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1C1CCCCC1 ZINC000021864558 525794306 /nfs/dbraw/zinc/79/43/06/525794306.db2.gz DOJUMOGRQBKUBV-SANMLTNESA-N 0 0 437.584 5.134 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(-c4noc(CNC(=O)c5ccco5)n4)cc3)cs2)s1 ZINC000065032411 525795955 /nfs/dbraw/zinc/79/59/55/525795955.db2.gz SOWPLWROAWONAT-UHFFFAOYSA-N 0 0 448.529 5.420 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1c1cccc(F)c1 ZINC000021809638 525796222 /nfs/dbraw/zinc/79/62/22/525796222.db2.gz WCFCHIDAAYMYBK-DEOSSOPVSA-N 0 0 439.556 5.100 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(N(C)C)cc4)ccc3o2)c1 ZINC000034908316 525800852 /nfs/dbraw/zinc/80/08/52/525800852.db2.gz MTTHABAOIBLOQT-DEOSSOPVSA-N 0 0 441.531 5.547 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035925282 525802801 /nfs/dbraw/zinc/80/28/01/525802801.db2.gz NNEFMVVIDFVQHQ-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1CCC1=CCCCC1 ZINC000021858155 525803672 /nfs/dbraw/zinc/80/36/72/525803672.db2.gz KVUASWKSNGDVIN-NDEPHWFRSA-N 0 0 441.575 5.063 50 0 IKAARN Cc1ccc(-c2nc(CCNC(=O)c3ccc(NC(=O)c4cccs4)cc3)cs2)cc1 ZINC000058192391 525810054 /nfs/dbraw/zinc/81/00/54/525810054.db2.gz PVARVNRATRIKJK-UHFFFAOYSA-N 0 0 447.585 5.405 50 0 IKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000037396544 525818096 /nfs/dbraw/zinc/81/80/96/525818096.db2.gz WQHGJYXRJXCMPF-UHFFFAOYSA-N 0 0 432.549 5.591 50 0 IKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000037385538 525818477 /nfs/dbraw/zinc/81/84/77/525818477.db2.gz QPMHFPJINPTSML-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(OCCC(C)C)c1 ZINC000022064265 525828058 /nfs/dbraw/zinc/82/80/58/525828058.db2.gz IPTQLLWXVPJCPE-UHFFFAOYSA-N 0 0 430.573 6.949 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccccc3F)cc2)c1 ZINC000037385465 525830836 /nfs/dbraw/zinc/83/08/36/525830836.db2.gz UKUFDWVLLNZXLM-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(Nc4ccc(C)cc4)nc(C)n3)cc2)c1 ZINC000021794549 525833205 /nfs/dbraw/zinc/83/32/05/525833205.db2.gz DSTQLWWSZRPFDV-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cc(C)ccc4C)C3=O)cc2)c1 ZINC000034736768 525833408 /nfs/dbraw/zinc/83/34/08/525833408.db2.gz VAKNQEQAEWNCFX-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(N3CCCN(Cc4cc(C)cc(C)c4)C3=O)c2)c1 ZINC000034735567 525833558 /nfs/dbraw/zinc/83/35/58/525833558.db2.gz RASHARHMSHNWSB-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cc(OC)ccc4OC)oc3c2)c1 ZINC000015729405 525833719 /nfs/dbraw/zinc/83/37/19/525833719.db2.gz OTYNMWOXAWPYDA-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN Cc1ccsc1CN(C)Cc1nnc(SCc2ccccc2C)n1C[C@H]1CCCO1 ZINC000012155257 525837889 /nfs/dbraw/zinc/83/78/89/525837889.db2.gz SRCMIBKSBRJSIM-HXUWFJFHSA-N 0 0 442.654 5.060 50 0 IKAARN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C(=O)c1cccc(F)c1)C1CC1 ZINC000035774623 525844189 /nfs/dbraw/zinc/84/41/89/525844189.db2.gz RUJGBWSBIOGJBQ-UHFFFAOYSA-N 0 0 436.552 5.029 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(F)cccc3F)n2-c2ccccc2)cc1 ZINC000033025695 525855403 /nfs/dbraw/zinc/85/54/03/525855403.db2.gz NWIAORYSCHCVBP-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN Cc1ccc(-c2nnc(SCCCc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 ZINC000012775184 525858215 /nfs/dbraw/zinc/85/82/15/525858215.db2.gz MFQJEADNOBGYSR-UHFFFAOYSA-N 0 0 446.454 5.839 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)c1 ZINC000012195585 525858794 /nfs/dbraw/zinc/85/87/94/525858794.db2.gz SASODPZEMGMLTA-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(C)c(F)c3)C2)c1 ZINC000021147682 525858823 /nfs/dbraw/zinc/85/88/23/525858823.db2.gz IPOPYGMDPIXAFT-UHFFFAOYSA-N 0 0 447.535 6.069 50 0 IKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(Br)ccc1F ZINC000012765153 525862363 /nfs/dbraw/zinc/86/23/63/525862363.db2.gz JMWWVJWUKXLVSU-UHFFFAOYSA-N 0 0 443.320 5.134 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cccc(Cl)c2)cccc1-c1nc2ccccc2s1 ZINC000002979391 525867433 /nfs/dbraw/zinc/86/74/33/525867433.db2.gz WJMXCJUJIXVQJA-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021536588 525867253 /nfs/dbraw/zinc/86/72/53/525867253.db2.gz PERGJSVECHNPPA-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000033115646 525867552 /nfs/dbraw/zinc/86/75/52/525867552.db2.gz UASDSPSBABHGKD-HHHXNRCGSA-N 0 0 442.584 5.696 50 0 IKAARN COc1cccc(CC(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)c1 ZINC000033307398 525877385 /nfs/dbraw/zinc/87/73/85/525877385.db2.gz UKAZHDMCSDCSBX-UHFFFAOYSA-N 0 0 449.894 5.159 50 0 IKAARN Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000001902819 525880427 /nfs/dbraw/zinc/88/04/27/525880427.db2.gz KWNKLVJPHAECOW-UHFFFAOYSA-N 0 0 448.902 5.962 50 0 IKAARN Cc1c(OCc2cccc(C(F)(F)F)c2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000001902783 525880707 /nfs/dbraw/zinc/88/07/07/525880707.db2.gz PMHAKYLUTNGUKF-UHFFFAOYSA-N 0 0 438.445 6.598 50 0 IKAARN C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1cccc(Cl)c1Cl ZINC000012854616 525880665 /nfs/dbraw/zinc/88/06/65/525880665.db2.gz JLFTXUJTOSUIMP-ZDUSSCGKSA-N 0 0 434.319 5.015 50 0 IKAARN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)N1CCCc2cc(C)ccc21 ZINC000001030950 525887228 /nfs/dbraw/zinc/88/72/28/525887228.db2.gz FYZLVMWKMQRNCK-UHFFFAOYSA-N 0 0 445.993 5.444 50 0 IKAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)C(=O)Nc1ccc2ccccc2c1 ZINC000012639147 525888274 /nfs/dbraw/zinc/88/82/74/525888274.db2.gz QDNGRIIVMYIZDU-SFHVURJKSA-N 0 0 438.527 5.841 50 0 IKAARN C[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)Nc1cccc(Cl)c1 ZINC000012650036 525890386 /nfs/dbraw/zinc/89/03/86/525890386.db2.gz RQDOOMWDEVNSAS-LBPRGKRZSA-N 0 0 442.949 5.862 50 0 IKAARN Cc1ccc(-n2c(=O)c(C(=O)Nc3cc(C(C)C)c(O)cc3C)cc3c2CCCC3=O)cc1 ZINC000016957065 525892863 /nfs/dbraw/zinc/89/28/63/525892863.db2.gz PENGDHHEUFTUFN-UHFFFAOYSA-N 0 0 444.531 5.055 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2[C@H](C)N(CCC(C)C)C(=O)C2CC2)c(C)c1 ZINC000035689127 525894051 /nfs/dbraw/zinc/89/40/51/525894051.db2.gz YBBMQOAEHBAHOP-FQEVSTJZSA-N 0 0 431.580 5.348 50 0 IKAARN Cc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3c2=O)cc1 ZINC000022498373 525895721 /nfs/dbraw/zinc/89/57/21/525895721.db2.gz GVWQDDMVOICBLP-UHFFFAOYSA-N 0 0 436.874 5.439 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)OCc3ccccc3)nnc2-c2ccc(F)cc2)cc1 ZINC000035847856 525901011 /nfs/dbraw/zinc/90/10/11/525901011.db2.gz YAHUXXVZUBMANA-UHFFFAOYSA-N 0 0 433.508 5.217 50 0 IKAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCc2ccc(Cl)cc2)cc1 ZINC000012462171 525905986 /nfs/dbraw/zinc/90/59/86/525905986.db2.gz PIJKOAISTQFRTE-UHFFFAOYSA-N 0 0 425.384 7.447 50 0 IKAARN Cc1cn2c(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3cccc(C)c3)csc2n1 ZINC000012316790 525912048 /nfs/dbraw/zinc/91/20/48/525912048.db2.gz VYVYHOLXMWQCRI-HSZRJFAPSA-N 0 0 426.545 5.282 50 0 IKAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012917802 525917675 /nfs/dbraw/zinc/91/76/75/525917675.db2.gz GTAHPJXTWANYGW-CQSZACIVSA-N 0 0 445.382 5.232 50 0 IKAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012917807 525925396 /nfs/dbraw/zinc/92/53/96/525925396.db2.gz GTAHPJXTWANYGW-AWEZNQCLSA-N 0 0 445.382 5.232 50 0 IKAARN Cc1ccc(-n2nc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)nc2-c2ccco2)cc1 ZINC000034911384 525928226 /nfs/dbraw/zinc/92/82/26/525928226.db2.gz NZOPDHVNMFPVMF-DEOSSOPVSA-N 0 0 448.526 5.550 50 0 IKAARN Cc1ccc(-n2nc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)nc2-c2ccco2)cc1 ZINC000034911386 525929095 /nfs/dbraw/zinc/92/90/95/525929095.db2.gz NZOPDHVNMFPVMF-XMMPIXPASA-N 0 0 448.526 5.550 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000012875656 525931962 /nfs/dbraw/zinc/93/19/62/525931962.db2.gz JZACURQQNGPEQX-SNVBAGLBSA-N 0 0 442.299 5.386 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Cl)cc2Cl)o1 ZINC000012883292 525932353 /nfs/dbraw/zinc/93/23/53/525932353.db2.gz RTBQSWGARACQHY-LLVKDONJSA-N 0 0 429.300 5.827 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000012380811 525932869 /nfs/dbraw/zinc/93/28/69/525932869.db2.gz VCSRDQQILYNXEM-HNNXBMFYSA-N 0 0 443.330 5.581 50 0 IKAARN C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000012369336 525933380 /nfs/dbraw/zinc/93/33/80/525933380.db2.gz LLIHBZSTYFYURK-CQSZACIVSA-N 0 0 435.829 6.557 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000012364858 525933662 /nfs/dbraw/zinc/93/36/62/525933662.db2.gz PTGJNHNSTIFVHY-AWEZNQCLSA-N 0 0 426.299 6.813 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Cl)cc2Cl)o1 ZINC000012883298 525936524 /nfs/dbraw/zinc/93/65/24/525936524.db2.gz RTBQSWGARACQHY-NSHDSACASA-N 0 0 429.300 5.827 50 0 IKAARN C[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000012369335 525938990 /nfs/dbraw/zinc/93/89/90/525938990.db2.gz LLIHBZSTYFYURK-AWEZNQCLSA-N 0 0 435.829 6.557 50 0 IKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012380392 525939302 /nfs/dbraw/zinc/93/93/02/525939302.db2.gz RVWUIVWGMZDYKA-HXUWFJFHSA-N 0 0 434.967 5.041 50 0 IKAARN C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012531646 525939747 /nfs/dbraw/zinc/93/97/47/525939747.db2.gz RLHWXMVLBQTVLW-NRFANRHFSA-N 0 0 435.523 6.582 50 0 IKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012380391 525946298 /nfs/dbraw/zinc/94/62/98/525946298.db2.gz RVWUIVWGMZDYKA-FQEVSTJZSA-N 0 0 434.967 5.041 50 0 IKAARN CSc1ccc(-c2nc(CSCC(=O)N[C@H](C)CCc3ccccc3)c(C)o2)cc1 ZINC000020241239 525946372 /nfs/dbraw/zinc/94/63/72/525946372.db2.gz LERHWJOFVOHEKN-QGZVFWFLSA-N 0 0 440.634 5.743 50 0 IKAARN CSc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 ZINC000033596225 525951328 /nfs/dbraw/zinc/95/13/28/525951328.db2.gz ZNMDOFGBBDMYBQ-YVLHZVERSA-N 0 0 449.395 5.585 50 0 IKAARN CSc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cc1 ZINC000012112238 525956177 /nfs/dbraw/zinc/95/61/77/525956177.db2.gz MYVQAKCSRSTTIS-KRWDZBQOSA-N 0 0 431.001 5.011 50 0 IKAARN Cc1ccc(C=Cc2nc(S[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)n[nH]2)o1 ZINC000012840034 525958504 /nfs/dbraw/zinc/95/85/04/525958504.db2.gz VEEAQBCYXDVZQS-VNDWYCCKSA-N 0 0 437.550 5.119 50 0 IKAARN Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCc3cccc(C)c3)C2=O)cc1 ZINC000020727166 525961312 /nfs/dbraw/zinc/96/13/12/525961312.db2.gz IQOFDESPYPODPE-UQQQWYQISA-N 0 0 442.584 5.142 50 0 IKAARN Cc1ccc([C@H](NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012797259 525963623 /nfs/dbraw/zinc/96/36/23/525963623.db2.gz YXCSJRYPCIVNJA-RDPSFJRHSA-N 0 0 440.634 5.005 50 0 IKAARN Cc1ccc([C@H](NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c2ccccc2)cc1 ZINC000012599224 525964019 /nfs/dbraw/zinc/96/40/19/525964019.db2.gz HHWVWWYHWVTUBM-JOCHJYFZSA-N 0 0 441.547 5.555 50 0 IKAARN COc1cccc(CNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)c1OC ZINC000015678377 525968894 /nfs/dbraw/zinc/96/88/94/525968894.db2.gz DTUUJMDQMVLUKX-UHFFFAOYSA-N 0 0 446.522 5.095 50 0 IKAARN C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000022022034 525971003 /nfs/dbraw/zinc/97/10/03/525971003.db2.gz UMXLMMALPBNAPB-NSHDSACASA-N 0 0 447.557 6.083 50 0 IKAARN C[C@H](C(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(-c2ccccc2)c(F)c1 ZINC000012390386 525975605 /nfs/dbraw/zinc/97/56/05/525975605.db2.gz ZINZFFJYSLIRTO-RXVVDRJESA-N 0 0 428.511 5.045 50 0 IKAARN Cc1c2ccccc2oc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023456634 525979258 /nfs/dbraw/zinc/97/92/58/525979258.db2.gz WSHMKJRNQFYNNM-UHFFFAOYSA-N 0 0 446.497 5.567 50 0 IKAARN CSc1ccc(C2=NN(C(C)=O)[C@H](c3cc(-c4ccccc4)nc4ccccc43)O2)cc1 ZINC000021941446 525982845 /nfs/dbraw/zinc/98/28/45/525982845.db2.gz GXZUPSMJZKNGGR-SANMLTNESA-N 0 0 439.540 5.863 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000021888965 525983088 /nfs/dbraw/zinc/98/30/88/525983088.db2.gz PYDMSPIHDVNJJY-SANMLTNESA-N 0 0 441.506 5.440 50 0 IKAARN CSc1ccc(CCNC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1 ZINC000020987784 525985200 /nfs/dbraw/zinc/98/52/00/525985200.db2.gz XEBKOQDBBWCZHD-UHFFFAOYSA-N 0 0 430.577 5.016 50 0 IKAARN CSc1ccc(CCNC(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)cc1 ZINC000021116020 525985495 /nfs/dbraw/zinc/98/54/95/525985495.db2.gz PXZMBGBRWOHZGK-UHFFFAOYSA-N 0 0 440.638 5.075 50 0 IKAARN CSc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000022024818 525987108 /nfs/dbraw/zinc/98/71/08/525987108.db2.gz PZYZDXRYAZTPMH-UHFFFAOYSA-N 0 0 425.554 5.145 50 0 IKAARN C[C@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012874565 526001009 /nfs/dbraw/zinc/00/10/09/526001009.db2.gz BDXQXIQVDWVAAM-VIFPVBQESA-N 0 0 446.907 5.249 50 0 IKAARN C[C@@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012874558 526001354 /nfs/dbraw/zinc/00/13/54/526001354.db2.gz BDXQXIQVDWVAAM-SECBINFHSA-N 0 0 446.907 5.249 50 0 IKAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1nc2ccccc2n1C(F)F ZINC000012525699 526002135 /nfs/dbraw/zinc/00/21/35/526002135.db2.gz AFKRDSIUSJDPAW-AWEZNQCLSA-N 0 0 440.519 6.110 50 0 IKAARN C[C@@H](Sc1nc2ccc(Cl)cc2o1)c1nc(N)nc(N2CCCc3ccccc32)n1 ZINC000012401966 526002442 /nfs/dbraw/zinc/00/24/42/526002442.db2.gz YQDPUVFKOWSENA-GFCCVEGCSA-N 0 0 438.944 5.186 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)cc1 ZINC000032995704 526002885 /nfs/dbraw/zinc/00/28/85/526002885.db2.gz RLSIWYYNHLDSQE-UHFFFAOYSA-N 0 0 426.545 5.539 50 0 IKAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000012779511 526003078 /nfs/dbraw/zinc/00/30/78/526003078.db2.gz ZIEWGCRESHUQJP-JTSKRJEESA-N 0 0 447.604 5.186 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc(Br)cc1 ZINC000012738639 526012206 /nfs/dbraw/zinc/01/22/06/526012206.db2.gz QSSYHWQVVUNXLC-GFCCVEGCSA-N 0 0 448.411 5.391 50 0 IKAARN Cc1cc(-c2c(C)nc3c(OCc4ccc(C)cc4)cccn3c2=O)nn1-c1ccccc1 ZINC000035911287 526037829 /nfs/dbraw/zinc/03/78/29/526037829.db2.gz JEZRHYXNCKXJNF-UHFFFAOYSA-N 0 0 436.515 5.051 50 0 IKAARN Cc1cc(-c2ccc(NC(=O)c3cccs3)c(C)c2)ccc1NC(=O)c1ccsc1 ZINC000009543723 526041604 /nfs/dbraw/zinc/04/16/04/526041604.db2.gz VRAQYLPSCCUVDA-UHFFFAOYSA-N 0 0 432.570 6.598 50 0 IKAARN Cc1cc(-c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)s2)on1 ZINC000020978413 526042062 /nfs/dbraw/zinc/04/20/62/526042062.db2.gz CZUBSUKNPJLUAN-UHFFFAOYSA-N 0 0 438.574 5.145 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000021879826 526046729 /nfs/dbraw/zinc/04/67/29/526046729.db2.gz YGKSMQNKLJXLJC-SANMLTNESA-N 0 0 439.515 5.427 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000033115657 526049190 /nfs/dbraw/zinc/04/91/90/526049190.db2.gz CEPJUQWHYPFBJI-SANMLTNESA-N 0 0 446.547 5.527 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)c2ccc(Br)o2)cc1 ZINC000033115569 526049562 /nfs/dbraw/zinc/04/95/62/526049562.db2.gz HWDSGHHQCBVCDF-QHCPKHFHSA-N 0 0 447.332 5.887 50 0 IKAARN Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2c(Cl)cccc2Cl)c(C)c1 ZINC000001720680 526050110 /nfs/dbraw/zinc/05/01/10/526050110.db2.gz DWIRTUNHDARDTC-JOCHJYFZSA-N 0 0 430.400 7.299 50 0 IKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)[C@H](C)c2nccs2)c(C)s1 ZINC000012701738 526057569 /nfs/dbraw/zinc/05/75/69/526057569.db2.gz IDRQBBMWSPHQEH-OAHLLOKOSA-N 0 0 426.586 6.006 50 0 IKAARN CSc1ccc([C@@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000020868233 526065155 /nfs/dbraw/zinc/06/51/55/526065155.db2.gz RREIEDNXHNCUOK-XMMPIXPASA-N 0 0 445.544 5.459 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000012064376 526065260 /nfs/dbraw/zinc/06/52/60/526065260.db2.gz YBAMZFSBCZSUDA-JOCHJYFZSA-N 0 0 428.513 5.277 50 0 IKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021889451 526065590 /nfs/dbraw/zinc/06/55/90/526065590.db2.gz DAWRAMMEBYMYNB-AREMUKBSSA-N 0 0 439.584 6.014 50 0 IKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021536224 526066716 /nfs/dbraw/zinc/06/67/16/526066716.db2.gz VXPHCQYTNZTQQV-AREMUKBSSA-N 0 0 439.584 6.645 50 0 IKAARN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3cccc(C(F)(F)F)c3)CCO2)cc1 ZINC000034691262 526069686 /nfs/dbraw/zinc/06/96/86/526069686.db2.gz XCDRPXDVRMRFFG-HSZRJFAPSA-N 0 0 448.529 5.013 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCC3CC3)cc2)cc1 ZINC000034680101 526074105 /nfs/dbraw/zinc/07/41/05/526074105.db2.gz MQXZNUJWYJLNPS-UHFFFAOYSA-N 0 0 426.560 5.219 50 0 IKAARN COc1cccc(C[C@@H]2CC(c3ccccc3)=NO2)c1OCc1c(Cl)cccc1Cl ZINC000012340638 526074243 /nfs/dbraw/zinc/07/42/43/526074243.db2.gz FKJKRCFBPMWLHS-GOSISDBHSA-N 0 0 442.342 6.317 50 0 IKAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2cccc(C(F)(F)F)c2)CC(C)C)cc1 ZINC000035979932 526076267 /nfs/dbraw/zinc/07/62/67/526076267.db2.gz GAYFBBLVDPJQIT-UHFFFAOYSA-N 0 0 429.486 5.557 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(OCCc3cccs3)c2)C[C@H]2CCCO2)cc1 ZINC000012150310 526076772 /nfs/dbraw/zinc/07/67/72/526076772.db2.gz LXYHWANCECLHIM-XMMPIXPASA-N 0 0 435.589 5.499 50 0 IKAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2ccc(Cl)c(Cl)c2)CC2CC2)cc1 ZINC000035979821 526077301 /nfs/dbraw/zinc/07/73/01/526077301.db2.gz WFJTZOWQMJXZEH-UHFFFAOYSA-N 0 0 428.363 5.599 50 0 IKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021889311 526079065 /nfs/dbraw/zinc/07/90/65/526079065.db2.gz VDDLMKCENHXAED-VWLOTQADSA-N 0 0 425.557 6.336 50 0 IKAARN COc1cccc(C[C@H]2CC(c3ccccc3)=NO2)c1OCc1c(Cl)cccc1Cl ZINC000012340639 526080860 /nfs/dbraw/zinc/08/08/60/526080860.db2.gz FKJKRCFBPMWLHS-SFHVURJKSA-N 0 0 442.342 6.317 50 0 IKAARN CSc1cccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCCC4)s3)c2C)c1 ZINC000033273857 526085370 /nfs/dbraw/zinc/08/53/70/526085370.db2.gz QUICCSLQJOBQAG-UHFFFAOYSA-N 0 0 441.626 5.182 50 0 IKAARN C[C@@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1=O ZINC000034734213 526092840 /nfs/dbraw/zinc/09/28/40/526092840.db2.gz VNTOMGGLJUWABQ-KRWDZBQOSA-N 0 0 435.474 5.610 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccco1 ZINC000035945264 526094616 /nfs/dbraw/zinc/09/46/16/526094616.db2.gz BSDYQNBRHRXPTR-LJQANCHMSA-N 0 0 445.563 5.488 50 0 IKAARN C[C@@H](c1ccccc1)n1cnc2c3cc(F)ccc3n(Cc3c(F)cccc3Cl)c2c1=O ZINC000021353641 526098190 /nfs/dbraw/zinc/09/81/90/526098190.db2.gz UNTDBCQBZPUTCQ-HNNXBMFYSA-N 0 0 449.888 5.940 50 0 IKAARN C[C@@H](c1ccccc1)n1cnc2c3cc(F)ccc3n(Cc3ccccc3Cl)c2c1=O ZINC000021883754 526098496 /nfs/dbraw/zinc/09/84/96/526098496.db2.gz ZHLJKSHHUDZYFE-INIZCTEOSA-N 0 0 431.898 5.801 50 0 IKAARN C[C@@H](c1ccccc1)n1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2sccc21 ZINC000034680173 526099041 /nfs/dbraw/zinc/09/90/41/526099041.db2.gz KWGJZOGUOASOGL-HNNXBMFYSA-N 0 0 428.479 6.261 50 0 IKAARN C[C@H](c1ccccc1)N1CCCN(c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)C1=O ZINC000034737211 526100412 /nfs/dbraw/zinc/10/04/12/526100412.db2.gz NEKDRFHAJNQZQF-GOSISDBHSA-N 0 0 448.954 6.377 50 0 IKAARN CSc1cccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)c1 ZINC000015827289 526106680 /nfs/dbraw/zinc/10/66/80/526106680.db2.gz NMYIOXMQOFDMIT-UHFFFAOYSA-N 0 0 438.574 5.361 50 0 IKAARN COc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400569 526107507 /nfs/dbraw/zinc/10/75/07/526107507.db2.gz NSOSAEIVBGOQHY-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN CSc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902821 526107928 /nfs/dbraw/zinc/10/79/28/526107928.db2.gz MQQIFLVBCDATMD-AREMUKBSSA-N 0 0 447.604 5.231 50 0 IKAARN COc1cccc(Cn2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc3ccsc32)c1 ZINC000035843890 526107815 /nfs/dbraw/zinc/10/78/15/526107815.db2.gz NYJAKKPPFVTLEC-UHFFFAOYSA-N 0 0 444.600 5.855 50 0 IKAARN C[C@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)cc2ccsc21 ZINC000035844292 526109072 /nfs/dbraw/zinc/10/90/72/526109072.db2.gz OQNCFEXXKVHLGX-ZWKOTPCHSA-N 0 0 437.609 5.031 50 0 IKAARN COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(Cl)cc4)c3c2=O)c1 ZINC000035400762 526109793 /nfs/dbraw/zinc/10/97/93/526109793.db2.gz KVYIAXRQGVAVCK-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN COc1cccc(Cn2cnc3c4ccccc4n(Cc4c(F)cccc4Cl)c3c2=O)c1 ZINC000035400273 526110343 /nfs/dbraw/zinc/11/03/43/526110343.db2.gz MNBTVXOVVOUUBV-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN CSc1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)c1 ZINC000033072844 526110544 /nfs/dbraw/zinc/11/05/44/526110544.db2.gz XKHOUZHAMDOUCR-UHFFFAOYSA-N 0 0 434.540 5.302 50 0 IKAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3cccc(F)c3)c2n1 ZINC000021654975 526113708 /nfs/dbraw/zinc/11/37/08/526113708.db2.gz SSUKWNLYOPGQPR-UHFFFAOYSA-N 0 0 446.869 5.263 50 0 IKAARN CSc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c1 ZINC000021879780 526123127 /nfs/dbraw/zinc/12/31/27/526123127.db2.gz AJFJLRFSWDZJAP-XMMPIXPASA-N 0 0 431.536 6.209 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1 ZINC000021536416 526123460 /nfs/dbraw/zinc/12/34/60/526123460.db2.gz JXDTYPDJMZOCEW-VWLOTQADSA-N 0 0 425.557 6.336 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000021536192 526125320 /nfs/dbraw/zinc/12/53/20/526125320.db2.gz OHPFBWCQZQFBLN-RUZDIDTESA-N 0 0 443.547 6.475 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)c1 ZINC000021536871 526125609 /nfs/dbraw/zinc/12/56/09/526125609.db2.gz RJLZRVDXSVPKEM-AREMUKBSSA-N 0 0 439.584 6.645 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2n1 ZINC000012650169 526131655 /nfs/dbraw/zinc/13/16/55/526131655.db2.gz XNJLWUWBJXHNOB-UHFFFAOYSA-N 0 0 442.346 6.777 50 0 IKAARN Cc1ccc2c(CSc3nc4ccccc4c(=O)n3-c3ccccc3C)cc(=O)oc2c1 ZINC000009664941 526132164 /nfs/dbraw/zinc/13/21/64/526132164.db2.gz YKGZGQOFFDOMPB-UHFFFAOYSA-N 0 0 440.524 5.401 50 0 IKAARN Cc1ccc2c(c1)-c1onc(C(=O)NCCOC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)c1CO2 ZINC000020510051 526136483 /nfs/dbraw/zinc/13/64/83/526136483.db2.gz NUFBCMGVZKNOGW-AFKVYGCLSA-N 0 0 436.552 5.038 50 0 IKAARN COc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc2)c1 ZINC000035927184 526137654 /nfs/dbraw/zinc/13/76/54/526137654.db2.gz ZSIBKCKUORUZDU-OSPHWJPCSA-N 0 0 440.609 5.875 50 0 IKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccccc3C(F)(F)F)CC1)c1cccn1-2 ZINC000035446792 526172078 /nfs/dbraw/zinc/17/20/78/526172078.db2.gz HFTAOQFLOPAXHH-UHFFFAOYSA-N 0 0 440.469 5.753 50 0 biogenic IKAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)c1cccn1-2 ZINC000035399267 526172127 /nfs/dbraw/zinc/17/21/27/526172127.db2.gz FWWBFGMJRMYDJU-UHFFFAOYSA-N 0 0 443.572 5.044 50 0 biogenic IKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC1)c1cccn1-2 ZINC000035446807 526172847 /nfs/dbraw/zinc/17/28/47/526172847.db2.gz CWQUVJWXZWWVKL-UHFFFAOYSA-N 0 0 440.469 5.753 50 0 biogenic IKAARN Cc1cc(Br)ccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 ZINC000020286783 526173230 /nfs/dbraw/zinc/17/32/30/526173230.db2.gz PVERBXCXQPGWSA-UHFFFAOYSA-N 0 0 429.745 6.090 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000035355111 526175532 /nfs/dbraw/zinc/17/55/32/526175532.db2.gz KRMHTMWWLANUCO-XDHUDOTRSA-N 0 0 447.629 5.525 50 0 IKAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)c1 ZINC000020996470 526184707 /nfs/dbraw/zinc/18/47/07/526184707.db2.gz LDZDEMFABNGOAU-UHFFFAOYSA-N 0 0 426.451 5.038 50 0 IKAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccc(C)cc4c32)c1 ZINC000020996472 526185181 /nfs/dbraw/zinc/18/51/81/526185181.db2.gz BJLONKWCMXKVHM-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccc(F)cc4c32)c1 ZINC000020996476 526185219 /nfs/dbraw/zinc/18/52/19/526185219.db2.gz AJEXKDKKSZKTRW-UHFFFAOYSA-N 0 0 444.441 5.177 50 0 IKAARN C[C@H](c1nnc(S[C@@H](C)C(=O)c2cccc(Cl)c2)n1-c1ccc(F)cc1)N(C)C ZINC000012557985 526189195 /nfs/dbraw/zinc/18/91/95/526189195.db2.gz AELIIVQRFVIIDR-KGLIPLIRSA-N 0 0 432.952 5.046 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000021888790 526189739 /nfs/dbraw/zinc/18/97/39/526189739.db2.gz VTQLMBPGMKGLHJ-RUZDIDTESA-N 0 0 427.479 5.762 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1NC(=O)c1nsc2ccccc21 ZINC000035510345 526193974 /nfs/dbraw/zinc/19/39/74/526193974.db2.gz OYEZUVNFZDIQNF-SFHVURJKSA-N 0 0 443.572 5.608 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000021778043 526195620 /nfs/dbraw/zinc/19/56/20/526195620.db2.gz DAYCAEYFHGSPJA-UHFFFAOYSA-N 0 0 432.505 5.682 50 0 IKAARN COc1cccc(NC(=O)[C@@H](Sc2nc(-c3ccccc3)cs2)c2ccccc2)c1 ZINC000012638367 526197568 /nfs/dbraw/zinc/19/75/68/526197568.db2.gz DCKKQKKPEDUZNV-QFIPXVFZSA-N 0 0 432.570 6.291 50 0 IKAARN COc1cccc(NC(=O)[C@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc2)c1 ZINC000012621958 526199542 /nfs/dbraw/zinc/19/95/42/526199542.db2.gz ULZKVGNLNJEOJW-XMMPIXPASA-N 0 0 447.506 5.569 50 0 IKAARN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1NC(=O)c1nsc2ccccc21 ZINC000035510341 526201131 /nfs/dbraw/zinc/20/11/31/526201131.db2.gz HRDBTZRZLLJKAD-OAQYLSRUSA-N 0 0 441.556 5.664 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)c1 ZINC000012249985 526206031 /nfs/dbraw/zinc/20/60/31/526206031.db2.gz CEIRLZMUADYPLM-UHFFFAOYSA-N 0 0 441.512 6.066 50 0 IKAARN COc1cccc(Nc2nnc(SCc3nc4ccccc4c(C)c3Cl)s2)c1 ZINC000012620059 526212705 /nfs/dbraw/zinc/21/27/05/526212705.db2.gz RSPQDVQYXZLOPC-UHFFFAOYSA-N 0 0 428.970 6.093 50 0 IKAARN COc1cccc(Nc2nn(CN(C)[C@H](C)c3nc4ccccc4s3)c(=S)s2)c1 ZINC000012553612 526212865 /nfs/dbraw/zinc/21/28/65/526212865.db2.gz HEERJCLFOHGPQK-CYBMUJFWSA-N 0 0 443.623 5.686 50 0 IKAARN COc1cccc(Nc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)cs2)c1 ZINC000033631008 526213075 /nfs/dbraw/zinc/21/30/75/526213075.db2.gz XZQPJVBKTQYDRX-UHFFFAOYSA-N 0 0 435.936 6.468 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c2Sc1ccc(Cl)cc1 ZINC000020466704 526215898 /nfs/dbraw/zinc/21/58/98/526215898.db2.gz KHNJWDDPDAAQHF-JXXFODFXSA-N 0 0 427.013 6.835 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1cccc(Cl)c1 ZINC000035400650 526216704 /nfs/dbraw/zinc/21/67/04/526216704.db2.gz WRRDCYKQIKESFU-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@@H](C)c3ccccc3)c(=O)c1n2Cc1cc(C)ccc1C ZINC000035400821 526216843 /nfs/dbraw/zinc/21/68/43/526216843.db2.gz JFYKTCGZIMBDOZ-JOCHJYFZSA-N 0 0 435.571 6.128 50 0 IKAARN Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000035681832 526216920 /nfs/dbraw/zinc/21/69/20/526216920.db2.gz QPIYAKCKCMUYND-UHFFFAOYSA-N 0 0 443.550 7.075 50 0 IKAARN Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1ccccc1Cl ZINC000035400716 526217252 /nfs/dbraw/zinc/21/72/52/526217252.db2.gz VHRXAVOLDCNMOU-UHFFFAOYSA-N 0 0 427.935 5.604 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1cc(C)ccc1C ZINC000035400864 526217821 /nfs/dbraw/zinc/21/78/21/526217821.db2.gz UVIAHSZMIVQGAQ-UHFFFAOYSA-N 0 0 441.962 6.026 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1c(F)cccc1Cl ZINC000035400587 526217915 /nfs/dbraw/zinc/21/79/15/526217915.db2.gz PJSZWNXLLGAKKQ-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1ccc2c(c1)c1ncn([C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(Cl)cc1 ZINC000035400694 526217986 /nfs/dbraw/zinc/21/79/86/526217986.db2.gz NZWPKKJYCPTVJT-SFHVURJKSA-N 0 0 427.935 5.971 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCC(C)CC4)sc3c2)cc1 ZINC000033000291 526224395 /nfs/dbraw/zinc/22/43/95/526224395.db2.gz VPLOQJOXPZKTIA-UHFFFAOYSA-N 0 0 439.606 5.208 50 0 IKAARN Cc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)c3ccco3)c(N(C)C)nc2c1 ZINC000012449875 526229243 /nfs/dbraw/zinc/22/92/43/526229243.db2.gz FWSZCPUIJDACNI-UHFFFAOYSA-N 0 0 431.511 5.226 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2c1 ZINC000020940105 526232890 /nfs/dbraw/zinc/23/28/90/526232890.db2.gz RSLJNAJUQWWPNX-UHFFFAOYSA-N 0 0 431.923 5.214 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1C ZINC000012777664 526239648 /nfs/dbraw/zinc/23/96/48/526239648.db2.gz SNODRRZDEFAUBG-LJQANCHMSA-N 0 0 428.561 5.369 50 0 IKAARN COc1cccc(Oc2c(CN(C(=O)C3CCCC3)C(C)C)c(C)nn2-c2ccccc2)c1 ZINC000035972765 526239834 /nfs/dbraw/zinc/23/98/34/526239834.db2.gz NKZYQTMJSJLLSF-UHFFFAOYSA-N 0 0 447.579 5.909 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C ZINC000012778656 526240120 /nfs/dbraw/zinc/24/01/20/526240120.db2.gz IBTUFQKEQBMRJR-LJQANCHMSA-N 0 0 428.561 5.369 50 0 IKAARN COc1cccc(Oc2c(CN(CC3CC3)C(=O)C(C)C)c(C)nn2-c2ccccc2)c1 ZINC000035972902 526241280 /nfs/dbraw/zinc/24/12/80/526241280.db2.gz JOUHDPGAERFUTG-UHFFFAOYSA-N 0 0 433.552 5.376 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3Cl)oc2c1 ZINC000017097269 526241594 /nfs/dbraw/zinc/24/15/94/526241594.db2.gz LUAIOQUWXKGGDU-NTUHNPAUSA-N 0 0 430.935 7.232 50 0 IKAARN COc1cccc(Oc2c(CN(C(=O)NC(C)C)C(C)C)c(C)nn2-c2ccccc2)c1 ZINC000035973113 526241597 /nfs/dbraw/zinc/24/15/97/526241597.db2.gz MZFUFOZIRQYPMZ-UHFFFAOYSA-N 0 0 436.556 5.310 50 0 IKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3ccc(Br)cc3)n2c1 ZINC000034913218 526242072 /nfs/dbraw/zinc/24/20/72/526242072.db2.gz XHWLIOXFWJALJN-UHFFFAOYSA-N 0 0 440.728 5.978 50 0 IKAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Br)cc3)c3ccccn32)cc1 ZINC000012342071 526242056 /nfs/dbraw/zinc/24/20/56/526242056.db2.gz JUXRQFJNIUEPSS-UHFFFAOYSA-N 0 0 448.320 5.076 50 0 IKAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)c1 ZINC000011866367 526242504 /nfs/dbraw/zinc/24/25/04/526242504.db2.gz IPIXUWSNSNJFBN-UHFFFAOYSA-N 0 0 429.476 5.120 50 0 IKAARN Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4ccc(C)cc4)c3c2N)cc1 ZINC000012250043 526243055 /nfs/dbraw/zinc/24/30/55/526243055.db2.gz NCIAKFYNHDGWIH-UHFFFAOYSA-N 0 0 434.564 7.060 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 ZINC000012789776 526247228 /nfs/dbraw/zinc/24/72/28/526247228.db2.gz JTCWPIBJXTZXEC-UHFFFAOYSA-N 0 0 441.959 5.638 50 0 IKAARN Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3ccc(C)c(C)c3)cc(=O)n2c1 ZINC000033026452 526251028 /nfs/dbraw/zinc/25/10/28/526251028.db2.gz BEZOBRYQRJDYES-UHFFFAOYSA-N 0 0 444.560 5.556 50 0 IKAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc(F)c3)sc2c1 ZINC000009449268 526252288 /nfs/dbraw/zinc/25/22/88/526252288.db2.gz BEICASLKLKIKLL-NRFANRHFSA-N 0 0 442.471 5.600 50 0 IKAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)c1 ZINC000012620697 526256179 /nfs/dbraw/zinc/25/61/79/526256179.db2.gz SKTKMTUWAWSQQO-UHFFFAOYSA-N 0 0 433.558 5.993 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021161985 526256407 /nfs/dbraw/zinc/25/64/07/526256407.db2.gz QKLFCQZCEIIPEH-CVDCTZTESA-N 0 0 448.586 5.135 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000020731137 526261975 /nfs/dbraw/zinc/26/19/75/526261975.db2.gz LVVDXTGRKMFDRK-MGPUTAFESA-N 0 0 427.470 6.306 50 0 IKAARN Cc1nn(CC(=O)Nc2c(Cl)cccc2Cl)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602535 526268485 /nfs/dbraw/zinc/26/84/85/526268485.db2.gz NKXLVOJHSKWVMB-UHFFFAOYSA-N 0 0 443.256 5.581 50 0 IKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000020745242 526271782 /nfs/dbraw/zinc/27/17/82/526271782.db2.gz YOGUTBPPMCRVEP-UHFFFAOYSA-N 0 0 438.552 5.900 50 0 IKAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc12 ZINC000012681752 526272307 /nfs/dbraw/zinc/27/23/07/526272307.db2.gz GDYHIRBINDEAMB-UHFFFAOYSA-N 0 0 448.596 5.299 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000012551690 526288192 /nfs/dbraw/zinc/28/81/92/526288192.db2.gz ULQPQPYJDYISPX-FMQUCBEESA-N 0 0 449.598 6.118 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000013121175 526289033 /nfs/dbraw/zinc/28/90/33/526289033.db2.gz OQMOTQAKMWDEGX-UHFFFAOYSA-N 0 0 434.540 5.295 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000020615359 526289546 /nfs/dbraw/zinc/28/95/46/526289546.db2.gz HJCPWNHAEOZIKE-UHFFFAOYSA-N 0 0 432.301 7.008 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000014940144 526289900 /nfs/dbraw/zinc/28/99/00/526289900.db2.gz UVOIZDLMXQALAF-UHFFFAOYSA-N 0 0 435.877 5.193 50 0 IKAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3Br)c(C)c21 ZINC000012898243 526292278 /nfs/dbraw/zinc/29/22/78/526292278.db2.gz ZLSMDDVYYJRAHZ-UHFFFAOYSA-N 0 0 440.293 5.408 50 0 biogenic IKAARN O=C(C1CCC1)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(Cl)o2)=NO1 ZINC000035944824 526292830 /nfs/dbraw/zinc/29/28/30/526292830.db2.gz BVYULKHGHOLKQB-INIZCTEOSA-N 0 0 440.849 5.274 50 0 IKAARN Fc1c(F)c(Oc2ccc(Br)cc2)c(F)c(F)c1/C=C/CN1CCOCC1 ZINC000016475397 526293516 /nfs/dbraw/zinc/29/35/16/526293516.db2.gz DFLOYFRJIZREOZ-OWOJBTEDSA-N 0 0 446.238 5.143 50 0 IKAARN O=C(C1CCCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013126622 526295979 /nfs/dbraw/zinc/29/59/79/526295979.db2.gz WWZWIGZHSKBNJC-KRWDZBQOSA-N 0 0 435.387 5.275 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCCSc1ccc(F)cc1 ZINC000012914946 526296126 /nfs/dbraw/zinc/29/61/26/526296126.db2.gz MCIYEOIULSWHHP-UHFFFAOYSA-N 0 0 431.964 5.253 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(Br)c(C)c3)c12 ZINC000036617060 526296373 /nfs/dbraw/zinc/29/63/73/526296373.db2.gz TWKOCXLZLBXTIP-UHFFFAOYSA-N 0 0 449.352 5.420 50 0 IKAARN O=C(C1CCCCC1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000012207450 526299132 /nfs/dbraw/zinc/29/91/32/526299132.db2.gz IABXOXLRRDSLLS-UHFFFAOYSA-N 0 0 446.566 5.951 50 0 IKAARN O=C(C1CCCCC1)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611271 526300398 /nfs/dbraw/zinc/30/03/98/526300398.db2.gz QDRJWAMNZAQHBP-UHFFFAOYSA-N 0 0 429.318 5.133 50 0 IKAARN Fc1cc(F)cc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035848042 526306609 /nfs/dbraw/zinc/30/66/09/526306609.db2.gz GKOHDUDRXSMWFE-UHFFFAOYSA-N 0 0 437.393 6.117 50 0 IKAARN Cc1nn2c(nc(C)cc2SCC(=O)NCc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000020388103 526311519 /nfs/dbraw/zinc/31/15/19/526311519.db2.gz LLIXDCGPBBWKBL-UHFFFAOYSA-N 0 0 436.968 5.075 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3C)c2C(F)(F)F)c1-c1ccccc1 ZINC000033039941 526312393 /nfs/dbraw/zinc/31/23/93/526312393.db2.gz ACQJEILFYKPHPK-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN Cc1nn2c(ncc(C(=O)NCc3ccc(OC(C)C)cc3)c2C)c1-c1cccc(C)c1 ZINC000015733114 526312483 /nfs/dbraw/zinc/31/24/83/526312483.db2.gz QCQYXKATXSQHNC-UHFFFAOYSA-N 0 0 428.536 5.039 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccc(F)cc1 ZINC000021914026 526312770 /nfs/dbraw/zinc/31/27/70/526312770.db2.gz IRMJVLXVPVHTPV-UHFFFAOYSA-N 0 0 428.389 5.423 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)n2)o1 ZINC000023462095 526315540 /nfs/dbraw/zinc/31/55/40/526315540.db2.gz NJXMGRLKIPFADY-JOCHJYFZSA-N 0 0 441.535 5.162 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000020739027 526315610 /nfs/dbraw/zinc/31/56/10/526315610.db2.gz PSHCZBPSPAHRNI-XCLFUZPHSA-N 0 0 425.941 5.436 50 0 IKAARN Fc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc(Cl)cc4)n3)o2)cc1 ZINC000035560704 526316623 /nfs/dbraw/zinc/31/66/23/526316623.db2.gz YFJPJMXSLHLLOM-UHFFFAOYSA-N 0 0 431.858 5.751 50 0 IKAARN Fc1ccc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1 ZINC000035847839 526318492 /nfs/dbraw/zinc/31/84/92/526318492.db2.gz CHNFFLGSGQSTNN-UHFFFAOYSA-N 0 0 429.442 6.385 50 0 IKAARN Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1Cl ZINC000020183442 526321770 /nfs/dbraw/zinc/32/17/70/526321770.db2.gz CPFQOOGNINEQSW-UHFFFAOYSA-N 0 0 441.815 7.052 50 0 IKAARN Fc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000102230240 526328168 /nfs/dbraw/zinc/32/81/68/526328168.db2.gz JZWXTDIPFHZJKA-OAHLLOKOSA-N 0 0 429.204 5.799 50 0 IKAARN Fc1ccc(CN2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000035892944 526333000 /nfs/dbraw/zinc/33/30/00/526333000.db2.gz KLTZGLXRXUUTFH-UHFFFAOYSA-N 0 0 436.600 5.299 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012375347 526335378 /nfs/dbraw/zinc/33/53/78/526335378.db2.gz NMQOZMPZOLXQII-UHFFFAOYSA-N 0 0 446.635 5.930 50 0 IKAARN O=C(NCCNc1nc(-c2ccccc2Cl)nc2cc(Cl)ccc21)c1ccco1 ZINC000036008110 526341339 /nfs/dbraw/zinc/34/13/39/526341339.db2.gz CYNCUEZYNBSICH-UHFFFAOYSA-N 0 0 427.291 5.039 50 0 IKAARN Fc1ccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)cc1F ZINC000035840044 526344512 /nfs/dbraw/zinc/34/45/12/526344512.db2.gz QELVMKQFDSNKOP-UHFFFAOYSA-N 0 0 427.907 6.082 50 0 IKAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935378 526345122 /nfs/dbraw/zinc/34/51/22/526345122.db2.gz FTORCYKOJUKYPH-UHFFFAOYSA-N 0 0 427.548 5.012 50 0 IKAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020602827 526363690 /nfs/dbraw/zinc/36/36/90/526363690.db2.gz NFGBPLCEYQKOQY-QHCPKHFHSA-N 0 0 448.929 5.441 50 0 IKAARN Fc1ccc([C@H]2CC(c3ccc(I)cc3)=NN2c2ccccc2)cc1 ZINC000012376675 526365895 /nfs/dbraw/zinc/36/58/95/526365895.db2.gz CTQJKBZVPGWPHF-OAQYLSRUSA-N 0 0 442.275 5.786 50 0 IKAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCC1=CCCCC1 ZINC000035562022 526366128 /nfs/dbraw/zinc/36/61/28/526366128.db2.gz QNJYWOCKPBRUDY-UHFFFAOYSA-N 0 0 427.976 5.070 50 0 IKAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCc1ccccc1Cl ZINC000033113903 526366146 /nfs/dbraw/zinc/36/61/46/526366146.db2.gz ZSSGWMAILOREQF-UHFFFAOYSA-N 0 0 444.362 5.033 50 0 IKAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1cccc(Br)c1 ZINC000012285367 526377060 /nfs/dbraw/zinc/37/70/60/526377060.db2.gz RSQSBDUNROPEPE-UHFFFAOYSA-N 0 0 437.337 5.210 50 0 IKAARN S=C(NC1CCCCC1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000012654279 526382387 /nfs/dbraw/zinc/38/23/87/526382387.db2.gz ZDZJWTJTYCQBBQ-UHFFFAOYSA-N 0 0 433.021 5.732 50 0 IKAARN S=C(NCc1ccccc1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000022310878 526384705 /nfs/dbraw/zinc/38/47/05/526384705.db2.gz RAPYNXTYKWWRTC-UHFFFAOYSA-N 0 0 448.555 5.240 50 0 IKAARN S=C1N[C@H]2c3cc(Br)ccc3O[C@@]3(CCC[C@@H]23)N1c1cccc(Cl)c1 ZINC000012437462 526387326 /nfs/dbraw/zinc/38/73/26/526387326.db2.gz LWZPLZNHNPFDOQ-VDZJLULYSA-N 0 0 435.774 5.427 50 0 IKAARN S=c1n(CN(Cc2ccncc2)C2CC2)nc(-c2cccs2)n1Cc1ccccc1 ZINC000012544100 526388416 /nfs/dbraw/zinc/38/84/16/526388416.db2.gz RFBIDJMNVOHSLR-UHFFFAOYSA-N 0 0 433.606 5.208 50 0 IKAARN O=C(CCC(=O)c1cccs1)NCCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000012786668 526389320 /nfs/dbraw/zinc/38/93/20/526389320.db2.gz HGXHTYGKLSXTIW-UHFFFAOYSA-N 0 0 446.528 5.269 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000035426569 526395237 /nfs/dbraw/zinc/39/52/37/526395237.db2.gz BOSSWWZTWJHCDO-UHFFFAOYSA-N 0 0 430.895 5.679 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000012798313 526398311 /nfs/dbraw/zinc/39/83/11/526398311.db2.gz PIPYFLMAAKLLLP-GOSISDBHSA-N 0 0 436.558 5.744 50 0 IKAARN c1c([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000012558306 526401266 /nfs/dbraw/zinc/40/12/66/526401266.db2.gz XIEYHKHAXPJUMR-NDEPHWFRSA-N 0 0 441.538 6.290 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cnn2c1nccc2-c1cccc(Cl)c1 ZINC000034786675 526404925 /nfs/dbraw/zinc/40/49/25/526404925.db2.gz NQDPSCBGRXFFMR-UHFFFAOYSA-N 0 0 445.737 5.329 50 0 IKAARN Fc1ccccc1-n1cnnc1SCCCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000012597946 526407519 /nfs/dbraw/zinc/40/75/19/526407519.db2.gz TXIFCDAKPSIDBK-UHFFFAOYSA-N 0 0 449.433 5.200 50 0 IKAARN O=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 ZINC000012428467 526408545 /nfs/dbraw/zinc/40/85/45/526408545.db2.gz GBZMNOUWIMODCG-UHFFFAOYSA-N 0 0 435.442 6.525 50 0 IKAARN Fc1ccccc1CSc1nnc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000035840117 526411917 /nfs/dbraw/zinc/41/19/17/526411917.db2.gz GJDIVRPAVMQEQR-UHFFFAOYSA-N 0 0 429.442 6.385 50 0 IKAARN Fc1ccccc1N1CCN([C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)CC1 ZINC000021538432 526413876 /nfs/dbraw/zinc/41/38/76/526413876.db2.gz CUUGDCDPPHHIKA-HSZRJFAPSA-N 0 0 448.929 5.441 50 0 IKAARN O=C(NCCc1cccc(Cl)c1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023449392 526416101 /nfs/dbraw/zinc/41/61/01/526416101.db2.gz VSTOSPCZAQLWFU-UHFFFAOYSA-N 0 0 433.960 6.833 50 0 IKAARN Fc1ccccc1[C@@H](Nc1ccc(Br)cc1F)c1nnc(-c2ccccc2)o1 ZINC000020852659 526416084 /nfs/dbraw/zinc/41/60/84/526416084.db2.gz ODGHKZQZPZEVTL-LJQANCHMSA-N 0 0 442.263 5.979 50 0 IKAARN c1cc(C2CCCCC2)ccc1O[C@@H]1OCCO[C@H]1Oc1ccc(C2CCCCC2)cc1 ZINC000012559359 526417057 /nfs/dbraw/zinc/41/70/57/526417057.db2.gz HOMRBRODDWMJHA-NSOVKSMOSA-N 0 0 436.592 6.939 50 0 IKAARN c1cc(C2CCCCC2)ccc1O[C@H]1OCCO[C@@H]1Oc1ccc(C2CCCCC2)cc1 ZINC000012559357 526417738 /nfs/dbraw/zinc/41/77/38/526417738.db2.gz HOMRBRODDWMJHA-VSGBNLITSA-N 0 0 436.592 6.939 50 0 IKAARN O=C(OC[C@H]1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000021939495 526422927 /nfs/dbraw/zinc/42/29/27/526422927.db2.gz KVIFSSSNLCLHAU-HXUWFJFHSA-N 0 0 445.540 5.334 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021536093 526423487 /nfs/dbraw/zinc/42/34/87/526423487.db2.gz ICMUEVCOGCNMFN-AREMUKBSSA-N 0 0 441.962 5.988 50 0 IKAARN c1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc32)n(-c2ncccn2)c1 ZINC000012161832 526423884 /nfs/dbraw/zinc/42/38/84/526423884.db2.gz VQKIXYMWRIRNOR-QHCPKHFHSA-N 0 0 442.544 5.240 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892412 526424372 /nfs/dbraw/zinc/42/43/72/526424372.db2.gz FUTQSFFWCLWHAG-SANMLTNESA-N 0 0 443.497 5.613 50 0 IKAARN O=C(NCCc1ccccc1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833890 526425798 /nfs/dbraw/zinc/42/57/98/526425798.db2.gz POYGPYCVVPVLSF-UHFFFAOYSA-N 0 0 436.490 5.175 50 0 IKAARN O=C(OCc1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000035643956 526426715 /nfs/dbraw/zinc/42/67/15/526426715.db2.gz XOAGXYJGAZOTAA-LJAQVGFWSA-N 0 0 435.567 6.044 50 0 in-vitro IKAARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1I ZINC000001865490 526442290 /nfs/dbraw/zinc/44/22/90/526442290.db2.gz QHJUMILTEXSXAR-UHFFFAOYSA-N 0 0 430.241 5.089 50 0 IKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c2)c1C ZINC000020580593 526450213 /nfs/dbraw/zinc/45/02/13/526450213.db2.gz QSHWUHMFPQDKHR-UHFFFAOYSA-N 0 0 435.343 5.139 50 0 IKAARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000023452456 526455118 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IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nc1CSc1ccc(C)cc1 ZINC000015682202 526729791 /nfs/dbraw/zinc/72/97/91/526729791.db2.gz AJNMGSHIGCKFSS-UHFFFAOYSA-N 0 0 446.547 6.320 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)nc1CSc1ccccc1 ZINC000020560151 526729990 /nfs/dbraw/zinc/72/99/90/526729990.db2.gz PKIMQBQQIVZOPD-YZZKKUAISA-N 0 0 434.605 6.497 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3cccs3)cc2)nc1CN1CCc2ccccc21 ZINC000015785964 526730009 /nfs/dbraw/zinc/73/00/09/526730009.db2.gz KWFABYFHLUDOBG-UHFFFAOYSA-N 0 0 443.572 5.247 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC[C@@H](OCc2cccnc2)C1 ZINC000012302775 526730213 /nfs/dbraw/zinc/73/02/13/526730213.db2.gz GSLLZVKYBLKOJS-HXUWFJFHSA-N 0 0 431.458 5.245 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)nc1CSc1ccccc1 ZINC000015682239 526730440 /nfs/dbraw/zinc/73/04/40/526730440.db2.gz XFINGXDSGUXSHD-IBGZPJMESA-N 0 0 442.584 6.476 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1C[S@@](=O)c1ccc(C)cc1 ZINC000020934796 526730464 /nfs/dbraw/zinc/73/04/64/526730464.db2.gz ORYFGXWTAAHJFA-YTTGMZPUSA-N 0 0 444.556 5.196 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)nc1COc1ccccc1 ZINC000020560107 526730470 /nfs/dbraw/zinc/73/04/70/526730470.db2.gz PMCRSOSZTNSMGQ-VWLOTQADSA-N 0 0 438.527 6.036 50 0 IKAARN Cc1oc(-c2ccc(C)cc2C)nc1Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O ZINC000012414773 526731442 /nfs/dbraw/zinc/73/14/42/526731442.db2.gz BTFISCCJEBELCW-UHFFFAOYSA-N 0 0 444.922 5.445 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000012416061 526732877 /nfs/dbraw/zinc/73/28/77/526732877.db2.gz BJJIPRWVQMWNAB-UHFFFAOYSA-N 0 0 449.942 5.429 50 0 IKAARN O=C(NCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892382 526733318 /nfs/dbraw/zinc/73/33/18/526733318.db2.gz ZECISKJZSREGCD-VWLOTQADSA-N 0 0 429.470 5.570 50 0 IKAARN O=C(c1ccc2noc(-c3ccc(Cl)cc3)c2c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021940261 526740169 /nfs/dbraw/zinc/74/01/69/526740169.db2.gz XQPNFJFIMKXAPH-UHFFFAOYSA-N 0 0 435.886 5.250 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1ccccc1C ZINC000020865769 526741072 /nfs/dbraw/zinc/74/10/72/526741072.db2.gz NFHXCPIYMQHJKK-UHFFFAOYSA-N 0 0 426.545 6.044 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000015861642 526742440 /nfs/dbraw/zinc/74/24/40/526742440.db2.gz ICVOQQHORRPUPF-UHFFFAOYSA-N 0 0 425.463 5.727 50 0 IKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020856243 526742576 /nfs/dbraw/zinc/74/25/76/526742576.db2.gz QXIUMUGPMDILMN-HXUWFJFHSA-N 0 0 426.969 5.730 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012705565 526747668 /nfs/dbraw/zinc/74/76/68/526747668.db2.gz WNHHNSZCDUGQRK-KRWDZBQOSA-N 0 0 427.545 5.482 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010752 526748446 /nfs/dbraw/zinc/74/84/46/526748446.db2.gz IQQADRBOHKBQIG-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN O=C(c1cccc(COc2ccccc2Br)c1)N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC000035679130 526757936 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6.246 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)o1 ZINC000009665104 526796971 /nfs/dbraw/zinc/79/69/71/526796971.db2.gz RSRQERLREZLWOI-UHFFFAOYSA-N 0 0 429.517 5.231 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N(C2=CCCCC2)C2CC2)n1-c1ccccc1 ZINC000012609617 526797535 /nfs/dbraw/zinc/79/75/35/526797535.db2.gz YMSBCVBRROTGAR-UHFFFAOYSA-N 0 0 434.565 5.377 50 0 IKAARN O=C(c1ccccc1-c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012376982 526799686 /nfs/dbraw/zinc/79/96/86/526799686.db2.gz ATEXJSYRUUMGRA-UHFFFAOYSA-N 0 0 430.551 5.881 50 0 IKAARN Cc1occc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012718420 526804271 /nfs/dbraw/zinc/80/42/71/526804271.db2.gz SMYYTNSHEBBJDS-FQEVSTJZSA-N 0 0 427.504 5.227 50 0 IKAARN O=C(c1ccccc1F)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@@H]1CCCO1 ZINC000035829760 526804456 /nfs/dbraw/zinc/80/44/56/526804456.db2.gz DCRJXODTHXGCSP-FQEVSTJZSA-N 0 0 449.551 5.066 50 0 IKAARN O=C(CN1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012809615 526814378 /nfs/dbraw/zinc/81/43/78/526814378.db2.gz IJTHSHYWZIATEW-HXOBKFHXSA-N 0 0 437.634 5.073 50 0 IKAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1Br ZINC000012762913 526815393 /nfs/dbraw/zinc/81/53/93/526815393.db2.gz WJLHOURFDAUDQC-NRFANRHFSA-N 0 0 427.367 5.097 50 0 IKAARN O=C(CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)Nc1ccccc1C(F)(F)F ZINC000015679981 526825312 /nfs/dbraw/zinc/82/53/12/526825312.db2.gz PSMCTDWJIMITCF-UHFFFAOYSA-N 0 0 447.800 5.145 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@@H]1CCCO1 ZINC000012097247 526835222 /nfs/dbraw/zinc/83/52/22/526835222.db2.gz CPTUIAYDSLFVNN-QFIPXVFZSA-N 0 0 425.525 5.288 50 0 IKAARN O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000014819601 526835523 /nfs/dbraw/zinc/83/55/23/526835523.db2.gz BGVBOCPOJDGJEL-OAHLLOKOSA-N 0 0 449.395 5.460 50 0 IKAARN O=C(c1cccs1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033115675 526839303 /nfs/dbraw/zinc/83/93/03/526839303.db2.gz JLNXCFQQYUTPLS-QHCPKHFHSA-N 0 0 430.598 6.225 50 0 IKAARN N=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000012375532 526839867 /nfs/dbraw/zinc/83/98/67/526839867.db2.gz IRJKFCVWGVKPOG-PEODKBGFSA-N 0 0 438.911 6.114 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000012369492 526842456 /nfs/dbraw/zinc/84/24/56/526842456.db2.gz RCHJRKNFVSXYNK-UHFFFAOYSA-N 0 0 439.752 6.058 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012641742 526850467 /nfs/dbraw/zinc/85/04/67/526850467.db2.gz HZVSSPDNTYVVBS-UHFFFAOYSA-N 0 0 446.978 7.024 50 0 IKAARN Cc1sc(-n2nc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)nc1-c1ccccc1 ZINC000022528906 526865292 /nfs/dbraw/zinc/86/52/92/526865292.db2.gz DZNYESZAIHGZFK-UHFFFAOYSA-N 0 0 449.623 7.872 50 0 IKAARN Cc1sc(-n2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)nc1-c1ccccc1 ZINC000017099686 526865370 /nfs/dbraw/zinc/86/53/70/526865370.db2.gz YPMFFGKLHOHDKI-UHFFFAOYSA-N 0 0 435.596 7.563 50 0 IKAARN O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)[C@@H](c1ccccc1)C1=CCCC=C1 ZINC000021486799 526866898 /nfs/dbraw/zinc/86/68/98/526866898.db2.gz KOTJGWZWXQEUDJ-RBBKRZOGSA-N 0 0 449.809 5.649 50 0 IKAARN O=C(c1cnc(-c2ccccc2)nc1N1CCC(Cc2ccccc2)CC1)N1CCCCC1 ZINC000036001306 526870186 /nfs/dbraw/zinc/87/01/86/526870186.db2.gz OGYDEFLOGHFGDT-UHFFFAOYSA-N 0 0 440.591 5.229 50 0 IKAARN Cc1sc(NC(=O)CS(=O)(=O)c2ccccc2)c(-c2nc3ccccc3s2)c1C ZINC000012361212 526882287 /nfs/dbraw/zinc/88/22/87/526882287.db2.gz YLRBZRLMGCPKAL-UHFFFAOYSA-N 0 0 442.587 5.054 50 0 IKAARN Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012787560 526882377 /nfs/dbraw/zinc/88/23/77/526882377.db2.gz UAZPDMCDKGGDJL-SFHVURJKSA-N 0 0 425.941 5.015 50 0 IKAARN O=C(c1cnccn1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000012795209 526882863 /nfs/dbraw/zinc/88/28/63/526882863.db2.gz UCDBQLBDPQSSFG-UHFFFAOYSA-N 0 0 441.343 5.754 50 0 IKAARN O=C(c1cnccn1)N(c1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1Cl ZINC000013007247 526883818 /nfs/dbraw/zinc/88/38/18/526883818.db2.gz AICULXRDCMZOBL-UHFFFAOYSA-N 0 0 434.830 5.737 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccsc2)c1C ZINC000035476996 526884003 /nfs/dbraw/zinc/88/40/03/526884003.db2.gz BGXJICVYTKWDQE-NRFANRHFSA-N 0 0 448.617 6.287 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)n2)c2cccnc2)c1C ZINC000035476899 526884196 /nfs/dbraw/zinc/88/41/96/526884196.db2.gz RKTFNMUIVSLUNM-HSZRJFAPSA-N 0 0 428.561 5.917 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2nc(C)cc(C)n2)c2cccnc2)c1C ZINC000035476991 526884286 /nfs/dbraw/zinc/88/42/86/526884286.db2.gz JGRJGHNNDDDZGN-JOCHJYFZSA-N 0 0 443.576 5.621 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccccn2)c1C ZINC000035476988 526884588 /nfs/dbraw/zinc/88/45/88/526884588.db2.gz DNGPTIZEXLBPBQ-QFIPXVFZSA-N 0 0 443.576 5.621 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)ccn2)c2ccccn2)c1C ZINC000035476891 526884847 /nfs/dbraw/zinc/88/48/47/526884847.db2.gz JEHBCERALSVMKF-HSZRJFAPSA-N 0 0 428.561 5.917 50 0 IKAARN Cc1nc(CNC(=O)c2sc3ncnc(N[C@H]4CCCc5ccccc54)c3c2C)cs1 ZINC000012456247 526886070 /nfs/dbraw/zinc/88/60/70/526886070.db2.gz SJXQIONJDOKXOR-SFHVURJKSA-N 0 0 449.605 5.184 50 0 IKAARN Cc1nc(CNC(=O)c2sc3ncnc(N[C@@H]4CCCc5ccccc54)c3c2C)cs1 ZINC000012456245 526886410 /nfs/dbraw/zinc/88/64/10/526886410.db2.gz SJXQIONJDOKXOR-GOSISDBHSA-N 0 0 449.605 5.184 50 0 IKAARN NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(Cl)c(Cl)c1 ZINC000012654389 526889878 /nfs/dbraw/zinc/88/98/78/526889878.db2.gz HYMNETWKYSHJQA-GXDHUFHOSA-N 0 0 441.314 5.061 50 0 IKAARN O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000001061791 526891506 /nfs/dbraw/zinc/89/15/06/526891506.db2.gz JBCLIPOWANGODI-AZUAARDMSA-N 0 0 426.442 5.136 50 0 IKAARN O=C(CNc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659377 526895851 /nfs/dbraw/zinc/89/58/51/526895851.db2.gz ZKUVZUUMWBOVQA-UHFFFAOYSA-N 0 0 449.341 6.168 50 0 IKAARN Cc1sc2ncc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)n2c1C ZINC000020767657 526897346 /nfs/dbraw/zinc/89/73/46/526897346.db2.gz AJVLUHPNUHGKLU-UHFFFAOYSA-N 0 0 425.897 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O=C(CSc1nnc(NC2CC2)s1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000023053681 527086609 /nfs/dbraw/zinc/08/66/09/527086609.db2.gz HMYAWNHMDIVVKF-KRWDZBQOSA-N 0 0 440.619 5.085 50 0 IKAARN O=C(CSc1nnc(NC2CC2)s1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000023053680 527086816 /nfs/dbraw/zinc/08/68/16/527086816.db2.gz HMYAWNHMDIVVKF-QGZVFWFLSA-N 0 0 440.619 5.085 50 0 IKAARN Cn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C(F)(F)F ZINC000012821459 527088242 /nfs/dbraw/zinc/08/82/42/527088242.db2.gz XGIBZOCFCWIDAB-UHFFFAOYSA-N 0 0 437.878 5.178 50 0 IKAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NCCC1=CCCCC1 ZINC000012377050 527088871 /nfs/dbraw/zinc/08/88/71/527088871.db2.gz WULFBDFLHSCWHZ-UHFFFAOYSA-N 0 0 443.576 5.043 50 0 IKAARN O=C1Nc2ccccc2/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000033034262 527090114 /nfs/dbraw/zinc/09/01/14/527090114.db2.gz HQFPKBAYVUKARU-KGENOOAVSA-N 0 0 442.316 5.795 50 0 IKAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1coc2ccc(Cl)cc2c1=O ZINC000020616049 527091783 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O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C(c1ccccc1)c1ccccc1 ZINC000016448335 527173999 /nfs/dbraw/zinc/17/39/99/527173999.db2.gz ZFLGHGNPWDCGPY-UHFFFAOYSA-N 0 0 439.902 6.314 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000012754916 527174294 /nfs/dbraw/zinc/17/42/94/527174294.db2.gz YKMUZVRUKBKQRH-UHFFFAOYSA-N 0 0 434.632 6.104 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000012339262 527174975 /nfs/dbraw/zinc/17/49/75/527174975.db2.gz YGXVBDSRZDAYLO-UHFFFAOYSA-N 0 0 443.277 6.811 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026566 527180867 /nfs/dbraw/zinc/18/08/67/527180867.db2.gz GCPGVNXEHJGNDF-UHFFFAOYSA-N 0 0 436.924 5.284 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000035181029 527181838 /nfs/dbraw/zinc/18/18/38/527181838.db2.gz KWJJLSBDVSAXAX-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000001030472 527184664 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5.574 50 0 IKAARN O=C(Nc1ccc(O)cc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020718243 527237914 /nfs/dbraw/zinc/23/79/14/527237914.db2.gz YLMMKFYZMFVVNC-DEOSSOPVSA-N 0 0 426.516 5.083 50 0 IKAARN O=C(Nc1ccc(SCc2cccnc2)cc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012549309 527257285 /nfs/dbraw/zinc/25/72/85/527257285.db2.gz ZMMWBGRXNLRKGR-YQQQUEKLSA-N 0 0 442.675 5.925 50 0 IKAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)cc1)c1ccc(F)cc1 ZINC000035928206 527258739 /nfs/dbraw/zinc/25/87/39/527258739.db2.gz CXFAGVKZNDIMBX-JOCHJYFZSA-N 0 0 428.435 5.135 50 0 IKAARN O=C(Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000012369291 527259009 /nfs/dbraw/zinc/25/90/09/527259009.db2.gz YQRLWTDXYLZQDT-UHFFFAOYSA-N 0 0 449.000 7.290 50 0 IKAARN O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)c1cccc2c3ccccc3oc21 ZINC000012360282 527259099 /nfs/dbraw/zinc/25/90/99/527259099.db2.gz KMPSUKCYRIBVJT-UHFFFAOYSA-N 0 0 430.916 7.038 50 0 IKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000035908755 527259475 /nfs/dbraw/zinc/25/94/75/527259475.db2.gz MGNZGLQVOQCWIR-QFIPXVFZSA-N 0 0 442.462 5.736 50 0 IKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1)c1ccccc1F ZINC000035925208 527259507 /nfs/dbraw/zinc/25/95/07/527259507.db2.gz FVTLSKAUWXTLJZ-VWLOTQADSA-N 0 0 432.520 5.345 50 0 IKAARN O=S(=O)(c1ccc(-c2cnc(C3CCC3)o2)s1)N1CC=C(c2ccccc2)CC1 ZINC000035454502 527268402 /nfs/dbraw/zinc/26/84/02/527268402.db2.gz QINNBLXTKICSTK-UHFFFAOYSA-N 0 0 426.563 5.149 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1Br ZINC000017170884 527273997 /nfs/dbraw/zinc/27/39/97/527273997.db2.gz NSSYYDNEFKEXQW-UHFFFAOYSA-N 0 0 441.350 5.356 50 0 IKAARN O=C(Nc1ccc2c(c1)CN([C@H]1CCCc3ccccc31)C(=O)CO2)c1ccccc1Cl ZINC000035885707 527278272 /nfs/dbraw/zinc/27/82/72/527278272.db2.gz OJKBPXSMENYYMH-QHCPKHFHSA-N 0 0 446.934 5.391 50 0 IKAARN O=C(Nc1ccc2c(c1)CN([C@@H]1CCCc3ccccc31)C(=O)CO2)c1ccc(F)cc1F ZINC000035885778 527278504 /nfs/dbraw/zinc/27/85/04/527278504.db2.gz NXYVMMCQJKEANV-HSZRJFAPSA-N 0 0 448.469 5.016 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000032960592 527281909 /nfs/dbraw/zinc/28/19/09/527281909.db2.gz WAMOQEXQSYIBIW-UHFFFAOYSA-N 0 0 431.539 5.992 50 0 IKAARN O=C(Cc1ccccc1)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002667199 527282421 /nfs/dbraw/zinc/28/24/21/527282421.db2.gz VOCRQEFRQGFMQQ-OAHLLOKOSA-N 0 0 426.558 5.461 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012567667 527284494 /nfs/dbraw/zinc/28/44/94/527284494.db2.gz ATQFPWHRICGKMU-UHFFFAOYSA-N 0 0 429.451 5.092 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021891016 527284510 /nfs/dbraw/zinc/28/45/10/527284510.db2.gz VNWHSVRNLNBAQZ-SANMLTNESA-N 0 0 437.499 5.386 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879895 527288448 /nfs/dbraw/zinc/28/84/48/527288448.db2.gz IISZBJYOQZHBAX-XMMPIXPASA-N 0 0 429.451 5.215 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012432567 527288954 /nfs/dbraw/zinc/28/89/54/527288954.db2.gz VPWZURGZKJLXAN-IBGZPJMESA-N 0 0 444.487 5.334 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037743 527289014 /nfs/dbraw/zinc/28/90/14/527289014.db2.gz SFVIZNYDTKDLDX-HXUWFJFHSA-N 0 0 448.866 5.030 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502482 527290641 /nfs/dbraw/zinc/29/06/41/527290641.db2.gz OTDCHTAYUROLBR-UHFFFAOYSA-N 0 0 428.423 5.007 50 0 IKAARN O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)NC1c2ccccc2Oc2ccccc21 ZINC000012377284 527293240 /nfs/dbraw/zinc/29/32/40/527293240.db2.gz NLBBFEVNOREUJO-UHFFFAOYSA-N 0 0 438.531 6.558 50 0 IKAARN Cn1cc([C@@H](CC(=O)N2CCCC2)c2cccc(OCc3ccccc3)c2)c2ccccc21 ZINC000035471505 527293432 /nfs/dbraw/zinc/29/34/32/527293432.db2.gz ZESOSVWCPJLTOR-SANMLTNESA-N 0 0 438.571 5.902 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccc(Br)c1 ZINC000000865351 527305744 /nfs/dbraw/zinc/30/57/44/527305744.db2.gz FGWPPRNHPLWGRO-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012353311 527308451 /nfs/dbraw/zinc/30/84/51/527308451.db2.gz RIENZEOMCJAOQZ-UHFFFAOYSA-N 0 0 441.870 6.626 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000012301453 527309094 /nfs/dbraw/zinc/30/90/94/527309094.db2.gz ZJKSJSGNNYMYGB-FQEVSTJZSA-N 0 0 441.506 5.465 50 0 IKAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1Cc1ccc(F)cc1Cl ZINC000032986797 527316812 /nfs/dbraw/zinc/31/68/12/527316812.db2.gz KYXMIDAXUFHKTN-FQEVSTJZSA-N 0 0 438.858 5.073 50 0 IKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccc(F)cc1 ZINC000032986842 527316883 /nfs/dbraw/zinc/31/68/83/527316883.db2.gz PCLHGBAXPVEEOP-HXUWFJFHSA-N 0 0 436.430 5.160 50 0 IKAARN O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NCCc1c[nH]c2ccccc12 ZINC000012322419 527323622 /nfs/dbraw/zinc/32/36/22/527323622.db2.gz UOUIMXGGHZKCFJ-UHFFFAOYSA-N 0 0 430.360 5.500 50 0 IKAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1oc2ccccc2c1COc1ccccc1 ZINC000012685407 527328241 /nfs/dbraw/zinc/32/82/41/527328241.db2.gz LJMXRAULSSMYKX-UHFFFAOYSA-N 0 0 426.472 5.156 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021649835 527331719 /nfs/dbraw/zinc/33/17/19/527331719.db2.gz QQIAAOBRRCBJPV-UHFFFAOYSA-N 0 0 426.442 5.445 50 0 biogenic IKAARN O=C(Cc1csc(-c2ccccc2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000014498241 527332150 /nfs/dbraw/zinc/33/21/50/527332150.db2.gz XVEGNANIILLXMY-GOSISDBHSA-N 0 0 435.574 5.175 50 0 IKAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1C(=O)Nc1cccc(F)c1 ZINC000012739075 527333602 /nfs/dbraw/zinc/33/36/02/527333602.db2.gz XBISGRWRNFZDND-UHFFFAOYSA-N 0 0 431.492 5.383 50 0 IKAARN O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000014635417 527333929 /nfs/dbraw/zinc/33/39/29/527333929.db2.gz UEXUKZUNJYUNBJ-UHFFFAOYSA-N 0 0 428.542 5.663 50 0 IKAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000012787421 527334102 /nfs/dbraw/zinc/33/41/02/527334102.db2.gz BVZSXXOTUUNABX-UHFFFAOYSA-N 0 0 433.320 5.136 50 0 IKAARN O=C(Cc1csc(-c2ccco2)n1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000012823241 527334135 /nfs/dbraw/zinc/33/41/35/527334135.db2.gz KOQLDQPMWMQBOR-UHFFFAOYSA-N 0 0 442.374 6.076 50 0 IKAARN O=C(Cc1csc(Cc2ccccn2)n1)Nc1cccc(C2SCCCS2)c1 ZINC000040131222 527336298 /nfs/dbraw/zinc/33/62/98/527336298.db2.gz PJVSJMWNYCXQGA-UHFFFAOYSA-N 0 0 427.620 5.179 50 0 IKAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N(Cc1ccccc1F)C1CC1 ZINC000021758950 527336358 /nfs/dbraw/zinc/33/63/58/527336358.db2.gz UXQQRFVHKFYOFI-UHFFFAOYSA-N 0 0 430.932 5.248 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](CCC[C@H]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000035132270 527342180 /nfs/dbraw/zinc/34/21/80/527342180.db2.gz OXLKVVAPTOWHKX-BBVWWWHTSA-N 0 0 443.978 6.944 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1)Nc1ccccc1F ZINC000035910204 527371906 /nfs/dbraw/zinc/37/19/06/527371906.db2.gz UIDKABLMKPFZML-NRFANRHFSA-N 0 0 425.460 5.387 50 0 IKAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2ncsc2c1 ZINC000012682379 527371979 /nfs/dbraw/zinc/37/19/79/527371979.db2.gz JWKVPFVQMNUKCW-UHFFFAOYSA-N 0 0 443.937 5.003 50 0 IKAARN O=C(Nc1cccc2c1CCCC2)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891386 527378388 /nfs/dbraw/zinc/37/83/88/527378388.db2.gz NBZUKMHSMMJJFI-SANMLTNESA-N 0 0 439.584 6.555 50 0 IKAARN O=C(Nc1cccc2ccccc21)N1CCS[C@H]1c1ccccc1OCc1ccccc1 ZINC000035254857 527384033 /nfs/dbraw/zinc/38/40/33/527384033.db2.gz GSBDFOKDXXVXHV-SANMLTNESA-N 0 0 440.568 6.698 50 0 IKAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CC=C(c2ccccc2)CC1 ZINC000021656587 527384484 /nfs/dbraw/zinc/38/44/84/527384484.db2.gz FMGKURHPHHREQK-UHFFFAOYSA-N 0 0 425.557 5.595 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000022412204 527395464 /nfs/dbraw/zinc/39/54/64/527395464.db2.gz OTOHAOCCLIMFBB-UHFFFAOYSA-N 0 0 435.427 5.150 50 0 IKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935044 527410056 /nfs/dbraw/zinc/41/00/56/527410056.db2.gz DCGGOIMFWMRZHZ-UHFFFAOYSA-N 0 0 429.479 5.780 50 0 IKAARN O=C(Nc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1 ZINC000012745239 527410298 /nfs/dbraw/zinc/41/02/98/527410298.db2.gz NDHJFRPYEVHYHZ-UHFFFAOYSA-N 0 0 437.521 5.439 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000016392100 527415108 /nfs/dbraw/zinc/41/51/08/527415108.db2.gz PEVKREMGYKXRAY-UHFFFAOYSA-N 0 0 449.941 6.793 50 0 IKAARN O=C(Nc1ccccc1Cl)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888798 527415795 /nfs/dbraw/zinc/41/57/95/527415795.db2.gz JPZZBZSXUUVNRS-DEOSSOPVSA-N 0 0 431.898 6.407 50 0 IKAARN O=C(Nc1ccccc1Cl)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCC1 ZINC000033009580 527417257 /nfs/dbraw/zinc/41/72/57/527417257.db2.gz XSBYGIRYLZXJCB-UHFFFAOYSA-N 0 0 448.954 6.227 50 0 IKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892364 527420845 /nfs/dbraw/zinc/42/08/45/527420845.db2.gz OCEPRUXNLFPBLP-DEOSSOPVSA-N 0 0 433.433 6.032 50 0 IKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021893957 527420893 /nfs/dbraw/zinc/42/08/93/527420893.db2.gz HBSNYDDMMPQYLC-DEOSSOPVSA-N 0 0 431.898 6.407 50 0 IKAARN O=C(Nc1ccccc1F)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035727496 527422476 /nfs/dbraw/zinc/42/24/76/527422476.db2.gz NHRXUKNHMPNWAN-UHFFFAOYSA-N 0 0 432.307 6.299 50 0 IKAARN O=C(Nc1ccccc1F)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000035181122 527422968 /nfs/dbraw/zinc/42/29/68/527422968.db2.gz FODRVJJXMJOUPD-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020736107 527429220 /nfs/dbraw/zinc/42/92/20/527429220.db2.gz QYGQQFKCFAFMIK-DEOSSOPVSA-N 0 0 426.516 5.478 50 0 IKAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1Cl ZINC000021760704 527430752 /nfs/dbraw/zinc/43/07/52/527430752.db2.gz BUXCPEUHSSDYSS-UHFFFAOYSA-N 0 0 449.146 5.758 50 0 IKAARN O=c1[nH]c(-c2ccc(OCc3cccc4ccccc43)cc2)nc2sc3c(c21)CCCC3 ZINC000012360366 527434658 /nfs/dbraw/zinc/43/46/58/527434658.db2.gz OFMURKBUFAEVSV-UHFFFAOYSA-N 0 0 438.552 6.263 50 0 IKAARN O=C(Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1 ZINC000033025858 527435673 /nfs/dbraw/zinc/43/56/73/527435673.db2.gz MQRNTDKHVHITLQ-UHFFFAOYSA-N 0 0 439.899 5.032 50 0 IKAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCc1ccccc1)nc2-c1ccccc1 ZINC000035925706 527436142 /nfs/dbraw/zinc/43/61/42/527436142.db2.gz SYAVKQDAWMUSIN-UHFFFAOYSA-N 0 0 426.911 5.330 50 0 IKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c12 ZINC000020608023 527436477 /nfs/dbraw/zinc/43/64/77/527436477.db2.gz KCLLGGXTQLTPIS-UHFFFAOYSA-N 0 0 429.370 5.076 50 0 IKAARN O=c1c2c(nc(SCc3ccc(Cl)cc3Cl)n1CCc1ccccc1)CCS2 ZINC000012140527 527455909 /nfs/dbraw/zinc/45/59/09/527455909.db2.gz JQAYRNPWOSSHTI-UHFFFAOYSA-N 0 0 449.428 5.733 50 0 IKAARN O=c1c2c(nc(SCc3cccc(C(F)(F)F)c3)n1Cc1ccccc1)CCS2 ZINC000012140515 527456045 /nfs/dbraw/zinc/45/60/45/527456045.db2.gz BIUYBIBUOGRJFQ-UHFFFAOYSA-N 0 0 434.508 5.251 50 0 IKAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1ccccc1n2Cc1c(F)cccc1Cl ZINC000035400220 527457547 /nfs/dbraw/zinc/45/75/47/527457547.db2.gz STBLIUNMWNGFLH-UHFFFAOYSA-N 0 0 435.861 5.379 50 0 IKAARN O=c1c2c(ncn1CCc1ccccc1)c1cc(F)ccc1n2Cc1cccc(Cl)c1 ZINC000035400371 527457631 /nfs/dbraw/zinc/45/76/31/527457631.db2.gz OEYVYNCMTRGJTG-UHFFFAOYSA-N 0 0 431.898 5.435 50 0 IKAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1cc(F)ccc1n2Cc1ccc(Cl)cc1 ZINC000035400326 527457732 /nfs/dbraw/zinc/45/77/32/527457732.db2.gz SYIKUWDKOLAVCI-UHFFFAOYSA-N 0 0 435.861 5.379 50 0 IKAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1cc(F)ccc1n2Cc1cccc(Cl)c1 ZINC000035400328 527457899 /nfs/dbraw/zinc/45/78/99/527457899.db2.gz PQUCHPACRCAJLH-UHFFFAOYSA-N 0 0 435.861 5.379 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc2ccccc2o1 ZINC000001174974 527460008 /nfs/dbraw/zinc/46/00/08/527460008.db2.gz WRXGDWDSRCVBNE-UHFFFAOYSA-N 0 0 447.903 6.021 50 0 IKAARN O=C(NC(=S)Nc1cccc2ccccc21)c1ccccc1OCCOc1ccccc1 ZINC000012137589 527462256 /nfs/dbraw/zinc/46/22/56/527462256.db2.gz TWHQTYKBNCXMET-UHFFFAOYSA-N 0 0 442.540 5.424 50 0 IKAARN O=C(NC(=S)Nc1nc2ccccc2s1)c1cccc2c(Br)cccc12 ZINC000001865059 527462298 /nfs/dbraw/zinc/46/22/98/527462298.db2.gz OHEJEXPBKBNTBO-UHFFFAOYSA-N 0 0 442.363 5.339 50 0 IKAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1OC[C@@H]1CCCO1 ZINC000024576113 527462866 /nfs/dbraw/zinc/46/28/66/527462866.db2.gz ANWVCWRFYCJUEQ-INIZCTEOSA-N 0 0 446.334 5.048 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2cccc(C(F)(F)F)c2)n1-c1ccc(Cl)cc1 ZINC000020662591 527465321 /nfs/dbraw/zinc/46/53/21/527465321.db2.gz LWXMDJZZMQLSTF-MDWZMJQESA-N 0 0 426.825 6.228 50 0 IKAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)c(F)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000033096840 527465607 /nfs/dbraw/zinc/46/56/07/527465607.db2.gz JNEJWOYULDGIRI-LUAWRHEFSA-N 0 0 428.360 5.853 50 0 IKAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)c(F)c2)n1-c1ccc(Br)cc1 ZINC000033096835 527465942 /nfs/dbraw/zinc/46/59/42/527465942.db2.gz RPIZYJCXJLPETD-SDQBBNPISA-N 0 0 439.259 5.597 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035911010 527467714 /nfs/dbraw/zinc/46/77/14/527467714.db2.gz XVGITXMZIFURPZ-UHFFFAOYSA-N 0 0 447.774 6.638 50 0 IKAARN O=c1c2sccc2n2c(SCc3cccc(Cl)c3)nnc2n1Cc1ccccc1 ZINC000035529239 527473249 /nfs/dbraw/zinc/47/32/49/527473249.db2.gz NVLGISBCHCTJEG-UHFFFAOYSA-N 0 0 438.965 5.100 50 0 IKAARN O=C(NC1(c2ccc(Cl)cc2)CCCCC1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000069533262 527474480 /nfs/dbraw/zinc/47/44/80/527474480.db2.gz XTKISVJHJYKPOV-UHFFFAOYSA-N 0 0 445.434 7.312 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021101295 527478934 /nfs/dbraw/zinc/47/89/34/527478934.db2.gz XXJDBEYHSNDXIU-UHFFFAOYSA-N 0 0 434.559 5.011 50 0 biogenic IKAARN Cc1ncsc1CCC(=O)N1CCC(c2n[nH]cc2-c2ccc3ccccc3c2)CC1 ZINC000012242505 527483256 /nfs/dbraw/zinc/48/32/56/527483256.db2.gz MZHKGFPKAKGMMJ-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN O=C(NC1CC1)[C@@H](OC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000012777295 527488610 /nfs/dbraw/zinc/48/86/10/527488610.db2.gz WWEPIVCDWMKTHW-QHCPKHFHSA-N 0 0 435.907 5.096 50 0 IKAARN O=C(NC1CC1)[C@H](OC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000012777290 527490622 /nfs/dbraw/zinc/49/06/22/527490622.db2.gz WWEPIVCDWMKTHW-HSZRJFAPSA-N 0 0 435.907 5.096 50 0 IKAARN Nc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000021985303 527497072 /nfs/dbraw/zinc/49/70/72/527497072.db2.gz LACZRKUWKHQVKS-UHFFFAOYSA-N 0 0 428.332 6.473 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000033676642 527498649 /nfs/dbraw/zinc/49/86/49/527498649.db2.gz SLFUGFLMYTYKTQ-UHFFFAOYSA-N 0 0 427.245 5.844 50 0 IKAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)NC(c1ccccc1)c1ccccc1 ZINC000022479675 527498765 /nfs/dbraw/zinc/49/87/65/527498765.db2.gz DYFVEZRXDGKSPF-UHFFFAOYSA-N 0 0 425.513 6.467 50 0 IKAARN O=c1oc2ccc(Cl)cc2cc1-c1cn2c3ccc(Oc4ccccc4)cc3sc2n1 ZINC000020645665 527499152 /nfs/dbraw/zinc/49/91/52/527499152.db2.gz KGMRYXKTSMBGAA-UHFFFAOYSA-N 0 0 444.899 6.768 50 0 IKAARN O=c1oc2ccccc2c(NC2CCCCC2)c1NS(=O)(=O)c1ccc(Cl)s1 ZINC000021034467 527499336 /nfs/dbraw/zinc/49/93/36/527499336.db2.gz BSWDEDLBWBPGMY-UHFFFAOYSA-N 0 0 438.958 5.053 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ncc(Cl)c(Cl)c1Cl ZINC000022192191 527499269 /nfs/dbraw/zinc/49/92/69/527499269.db2.gz SZXDWHWTTMBNSS-UHFFFAOYSA-N 0 0 426.712 5.353 50 0 IKAARN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(OC(F)F)c1 ZINC000012619074 527500204 /nfs/dbraw/zinc/50/02/04/527500204.db2.gz HIPBSKNEILTGIU-UHFFFAOYSA-N 0 0 425.254 5.426 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000012340401 527501413 /nfs/dbraw/zinc/50/14/13/527501413.db2.gz FKJFKSGHMSBSQW-UHFFFAOYSA-N 0 0 448.853 6.995 50 0 IKAARN O=C(Nc1nc(-c2cccnc2)cs1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000012565144 527502426 /nfs/dbraw/zinc/50/24/26/527502426.db2.gz QHABAQGMBPSXPS-UHFFFAOYSA-N 0 0 435.559 5.872 50 0 IKAARN O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000021355456 527504224 /nfs/dbraw/zinc/50/42/24/527504224.db2.gz LSADUFKEXWUMKO-NGOBRMJYSA-N 0 0 441.622 5.018 50 0 IKAARN O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000021355462 527504265 /nfs/dbraw/zinc/50/42/65/527504265.db2.gz LSADUFKEXWUMKO-FBXSJCODSA-N 0 0 441.622 5.018 50 0 IKAARN O=C(Nc1nc2c(cc(F)c(F)c2F)s1)c1cc(-c2cccs2)nc2ccccc21 ZINC000012559798 527510310 /nfs/dbraw/zinc/51/03/10/527510310.db2.gz BUDRMISDRJSBJE-UHFFFAOYSA-N 0 0 441.459 6.243 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000012569572 527517084 /nfs/dbraw/zinc/51/70/84/527517084.db2.gz MFJJFCQQIJEOLK-UHFFFAOYSA-N 0 0 431.908 5.450 50 0 IKAARN O=C(NC1CCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035441 527518013 /nfs/dbraw/zinc/51/80/13/527518013.db2.gz LOELKEQZDMJCQU-FQEVSTJZSA-N 0 0 439.987 5.814 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)NCc1ccc(Cl)cc1 ZINC000033258570 527518669 /nfs/dbraw/zinc/51/86/69/527518669.db2.gz SEJACDDJBMXNQH-UHFFFAOYSA-N 0 0 447.926 5.082 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000033258627 527519218 /nfs/dbraw/zinc/51/92/18/527519218.db2.gz KMCXEXVFALXFIP-UHFFFAOYSA-N 0 0 447.926 5.794 50 0 IKAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccccn1 ZINC000012741960 527519397 /nfs/dbraw/zinc/51/93/97/527519397.db2.gz FQSGZHOUXMGMBY-UHFFFAOYSA-N 0 0 431.361 5.419 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(F)c(F)cc1Cl ZINC000012741955 527519556 /nfs/dbraw/zinc/51/95/56/527519556.db2.gz UXXAJVOJSLNQJC-UHFFFAOYSA-N 0 0 432.801 5.937 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1 ZINC000033258636 527519478 /nfs/dbraw/zinc/51/94/78/527519478.db2.gz RTJBJEKQGIDWSZ-UHFFFAOYSA-N 0 0 431.471 5.280 50 0 IKAARN O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162301 527519609 /nfs/dbraw/zinc/51/96/09/527519609.db2.gz LDEQPIUGGKLCMF-UHFFFAOYSA-N 0 0 448.586 5.279 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000033140742 527522115 /nfs/dbraw/zinc/52/21/15/527522115.db2.gz VPYMCKZCGCVXSH-UHFFFAOYSA-N 0 0 426.358 5.358 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(Cl)c1C=C(Cl)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000012639963 527522489 /nfs/dbraw/zinc/52/24/89/527522489.db2.gz SISWLESFYKHHOV-YVLHZVERSA-N 0 0 445.737 5.769 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000020892993 527525208 /nfs/dbraw/zinc/52/52/08/527525208.db2.gz RCWAKSNOOKPPAP-OAQYLSRUSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(Br)cc3F)cc12 ZINC000035509939 527529456 /nfs/dbraw/zinc/52/94/56/527529456.db2.gz XMFZSQAPMZCUOF-UHFFFAOYSA-N 0 0 448.292 5.688 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)nn2)c(C)c1C ZINC000091402287 527532091 /nfs/dbraw/zinc/53/20/91/527532091.db2.gz XBRNUJDCBULNAF-UHFFFAOYSA-N 0 0 447.930 5.629 50 0 IKAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)Cc1ccccc1Cl ZINC000012782845 527534675 /nfs/dbraw/zinc/53/46/75/527534675.db2.gz ZREGHWOTUWFULR-UHFFFAOYSA-N 0 0 449.860 5.003 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C(=O)C1CC1 ZINC000035970471 527534910 /nfs/dbraw/zinc/53/49/10/527534910.db2.gz GGOIARDEJKZUDH-UHFFFAOYSA-N 0 0 437.971 6.021 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3c(C)cc(C)cc3C)c12 ZINC000020579040 527535803 /nfs/dbraw/zinc/53/58/03/527535803.db2.gz RVSZTZFNUHPZGL-UHFFFAOYSA-N 0 0 432.955 6.177 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)N[C@H](C)CCc3ccccc3)c12 ZINC000020579090 527535883 /nfs/dbraw/zinc/53/58/83/527535883.db2.gz FCVQIOMYJSECTJ-MRXNPFEDSA-N 0 0 446.982 5.750 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(CC2CC2)C(=O)NC(C)(C)C)c1Oc1ccccc1 ZINC000035978869 527536187 /nfs/dbraw/zinc/53/61/87/527536187.db2.gz OIJKYPGRPIGXOK-UHFFFAOYSA-N 0 0 432.568 5.600 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)C2CCCC2)C2CC2)c1Oc1ccc(F)cc1 ZINC000035977400 527536991 /nfs/dbraw/zinc/53/69/91/527536991.db2.gz CZXYFVCIUAUMCM-UHFFFAOYSA-N 0 0 433.527 5.700 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012678225 527539514 /nfs/dbraw/zinc/53/95/14/527539514.db2.gz ZYEGGTVPPFQMDZ-QFIPXVFZSA-N 0 0 430.577 5.395 50 0 IKAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000015869053 527540534 /nfs/dbraw/zinc/54/05/34/527540534.db2.gz AJPFPNLEQFBNLM-UHFFFAOYSA-N 0 0 445.386 5.279 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1cc2ccccc2oc1=O ZINC000009661709 527540769 /nfs/dbraw/zinc/54/07/69/527540769.db2.gz QLDJLOZUVWCDTD-UHFFFAOYSA-N 0 0 441.512 5.529 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C(=O)C1CC1 ZINC000035976179 527549190 /nfs/dbraw/zinc/54/91/90/527549190.db2.gz MEBBOVFCCKUXSG-UHFFFAOYSA-N 0 0 439.506 5.646 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)NC(C)C)C(C)C ZINC000035978347 527549281 /nfs/dbraw/zinc/54/92/81/527549281.db2.gz AMYBAABPCRIQIF-UHFFFAOYSA-N 0 0 442.510 5.580 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(CC1CC1)C(=O)C(C)C ZINC000035976141 527550095 /nfs/dbraw/zinc/55/00/95/527550095.db2.gz JUBDQUJSXJCHCI-UHFFFAOYSA-N 0 0 437.971 6.021 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)C(C)C ZINC000035970796 527550411 /nfs/dbraw/zinc/55/04/11/527550411.db2.gz NFHBIQYPABSBDB-QHCPKHFHSA-N 0 0 433.552 5.137 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C(=O)C1CCC1 ZINC000035970644 527551040 /nfs/dbraw/zinc/55/10/40/527551040.db2.gz MIKFCEQLVDGKMS-UHFFFAOYSA-N 0 0 441.531 5.895 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1cccs1)C(C)C ZINC000035971109 527551054 /nfs/dbraw/zinc/55/10/54/527551054.db2.gz VILKOTPQUDEQTG-UHFFFAOYSA-N 0 0 431.561 6.085 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C(=O)NC(C)C ZINC000035971058 527551166 /nfs/dbraw/zinc/55/11/66/527551166.db2.gz SSOQYGSMPGMEFT-UHFFFAOYSA-N 0 0 444.535 5.686 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)Nc3ccc(C(C)C)cc3)cc1CC2 ZINC000021043244 527552056 /nfs/dbraw/zinc/55/20/56/527552056.db2.gz UJOXTXBFFZZFGQ-UHFFFAOYSA-N 0 0 427.573 6.384 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4cccn4)cc3)c12 ZINC000036616525 527554910 /nfs/dbraw/zinc/55/49/10/527554910.db2.gz XBGJCUDKRQJVMP-UHFFFAOYSA-N 0 0 434.503 5.044 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)cc12 ZINC000033176943 527556235 /nfs/dbraw/zinc/55/62/35/527556235.db2.gz PZJFAUKDESACDT-UHFFFAOYSA-N 0 0 444.482 5.733 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(C)c2)c1CCC(=O)NCc1cccnc1 ZINC000034672383 527564578 /nfs/dbraw/zinc/56/45/78/527564578.db2.gz QFGBSKPKLSCISA-UHFFFAOYSA-N 0 0 440.547 5.234 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000020892968 527564661 /nfs/dbraw/zinc/56/46/61/527564661.db2.gz GVRIFEYOQLWNIX-OAQYLSRUSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)Nc1ccc(F)cc1 ZINC000034672395 527564690 /nfs/dbraw/zinc/56/46/90/527564690.db2.gz NQUMCDWYQHRZQB-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c(C)c1Cc1ccccc1Cl ZINC000020893514 527569751 /nfs/dbraw/zinc/56/97/51/527569751.db2.gz AWXHTVRRTLRSFW-UHFFFAOYSA-N 0 0 436.968 5.751 50 0 IKAARN Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@H](c1ccccc1)CC(=O)N2 ZINC000021661158 527571275 /nfs/dbraw/zinc/57/12/75/527571275.db2.gz HTWGOPMLMSWRFP-AWEZNQCLSA-N 0 0 439.338 5.027 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000021726191 527571393 /nfs/dbraw/zinc/57/13/93/527571393.db2.gz GXTCXLXTHMBCDZ-IBGZPJMESA-N 0 0 444.560 5.586 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000021177474 527571732 /nfs/dbraw/zinc/57/17/32/527571732.db2.gz GOQMSBSRINYOFS-AWEZNQCLSA-N 0 0 439.338 5.027 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1sc(Cl)cc1Cl)CC(=O)N2 ZINC000015868299 527572582 /nfs/dbraw/zinc/57/25/82/527572582.db2.gz ZZYDFATVUKOAJH-SECBINFHSA-N 0 0 435.361 5.633 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000020891327 527572917 /nfs/dbraw/zinc/57/29/17/527572917.db2.gz HVPMIAYHPUGRFL-SFHVURJKSA-N 0 0 426.954 5.219 50 0 IKAARN O=C(NCC1(c2ccccc2)CCCC1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012101398 527584494 /nfs/dbraw/zinc/58/44/94/527584494.db2.gz SSSBCIVTROEVIW-UHFFFAOYSA-N 0 0 440.587 5.320 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(COc2cccc(Cl)c2Cl)c1 ZINC000033523270 527585607 /nfs/dbraw/zinc/58/56/07/527585607.db2.gz GTYWCMUGQBZDPS-UHFFFAOYSA-N 0 0 444.402 6.519 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000012376954 527585682 /nfs/dbraw/zinc/58/56/82/527585682.db2.gz LGRPQMKVTYSYRP-UHFFFAOYSA-N 0 0 436.506 5.280 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000034717249 527598485 /nfs/dbraw/zinc/59/84/85/527598485.db2.gz FINHOLZIEKNZHS-UHFFFAOYSA-N 0 0 433.360 5.836 50 0 IKAARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001053195 527603425 /nfs/dbraw/zinc/60/34/25/527603425.db2.gz ZITMNEUBJRDVNN-JXMROGBWSA-N 0 0 443.330 5.742 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Cc2ccncc2)cc1 ZINC000015856618 527608221 /nfs/dbraw/zinc/60/82/21/527608221.db2.gz AGPDTWZOYBXJSW-XBXARRHUSA-N 0 0 442.371 5.506 50 0 IKAARN O=C(C=Cc1cccc2ccccc12)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012893587 527629580 /nfs/dbraw/zinc/62/95/80/527629580.db2.gz HYZMPOLDXBQGAZ-ISLYRVAYSA-N 0 0 445.522 5.319 50 0 IKAARN OCc1cnc(SCc2cccc(C(F)(F)F)c2)n1Cc1cccc(C(F)(F)F)c1 ZINC000035841304 527640674 /nfs/dbraw/zinc/64/06/74/527640674.db2.gz REYPGCWUVAXQNR-UHFFFAOYSA-N 0 0 446.416 5.754 50 0 IKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000012312196 527646897 /nfs/dbraw/zinc/64/68/97/527646897.db2.gz ANAAAYVMBOCVFD-DHZHZOJOSA-N 0 0 441.550 5.777 50 0 IKAARN O=C(/C=C/c1nc2ccccc2o1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000012908119 527650607 /nfs/dbraw/zinc/65/06/07/527650607.db2.gz DEDOHLHHATZEAZ-CFQHJMILSA-N 0 0 431.419 5.331 50 0 IKAARN O=C(/C=C\c1ccc(I)o1)Nc1ccccc1Cc1ccccc1 ZINC000033385838 527654684 /nfs/dbraw/zinc/65/46/84/527654684.db2.gz ZUTKQHUFUOVFMU-QBFSEMIESA-N 0 0 429.257 5.127 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000020729082 527656898 /nfs/dbraw/zinc/65/68/98/527656898.db2.gz DQWRPJDMWDAUFN-OAQYLSRUSA-N 0 0 427.863 5.107 50 0 IKAARN O=C(/C=C\c1ccccc1)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000033909660 527657743 /nfs/dbraw/zinc/65/77/43/527657743.db2.gz DAWZTTXIFBLGIR-YDZSZYSISA-N 0 0 437.676 5.643 50 0 IKAARN O=C(/N=c1\scc(-c2ccccc2)n1-c1ccc(SC(F)F)cc1)c1ccccc1 ZINC000012524379 527662377 /nfs/dbraw/zinc/66/23/77/527662377.db2.gz XLSACEFKTWPZOM-RWEWTDSWSA-N 0 0 438.524 6.262 50 0 IKAARN FC(F)(F)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000036047243 527678422 /nfs/dbraw/zinc/67/84/22/527678422.db2.gz TVQWPNOXESZYNJ-KRWDZBQOSA-N 0 0 444.309 6.333 50 0 IKAARN FC(F)(F)c1cc(SCc2ccc(Cl)c(Cl)c2)nc2cc3c(cc21)OCO3 ZINC000012139487 527680201 /nfs/dbraw/zinc/68/02/01/527680201.db2.gz KUQTZHKHEVYDTL-UHFFFAOYSA-N 0 0 432.250 6.581 50 0 IKAARN FC(F)(F)c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000035848070 527683139 /nfs/dbraw/zinc/68/31/39/527683139.db2.gz IORGRYMJBGKRPN-UHFFFAOYSA-N 0 0 445.897 6.899 50 0 IKAARN FC(F)(F)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012617494 527684286 /nfs/dbraw/zinc/68/42/86/527684286.db2.gz WTXRAXOOLHNSNI-IFMALSPDSA-N 0 0 428.841 6.601 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(N2CCCCCC2)c2cc(Cl)ccc23)c1 ZINC000020859597 527684390 /nfs/dbraw/zinc/68/43/90/527684390.db2.gz BOGTXIYMJWJFCE-UHFFFAOYSA-N 0 0 445.876 5.997 50 0 IKAARN FC(F)(F)c1ccc([C@H]2[C@@H]3C(=NN2c2cc(Cl)ccc2Cl)C2CCN3CC2)cc1 ZINC000020458367 527684455 /nfs/dbraw/zinc/68/44/55/527684455.db2.gz HPZOIPIGTUOSOD-PMACEKPBSA-N 0 0 440.296 6.024 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NCc2ccco2)c2cc(Cl)ccc23)c1 ZINC000020859529 527684557 /nfs/dbraw/zinc/68/45/57/527684557.db2.gz WNDJFMUXMHZJEF-UHFFFAOYSA-N 0 0 443.816 5.822 50 0 IKAARN FC(F)(F)c1cccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1 ZINC000035839955 527684933 /nfs/dbraw/zinc/68/49/33/527684933.db2.gz YOGITMSASCYQFO-UHFFFAOYSA-N 0 0 435.858 6.492 50 0 IKAARN FC(F)(F)c1cccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 ZINC000035840113 527685168 /nfs/dbraw/zinc/68/51/68/527685168.db2.gz OUFVBTJRLDDDBS-UHFFFAOYSA-N 0 0 445.897 6.899 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc3cccnc3n2Cc2ccc(Cl)cc2)c1 ZINC000020532462 527685692 /nfs/dbraw/zinc/68/56/92/527685692.db2.gz WHAQFIJUVYKYBN-UHFFFAOYSA-N 0 0 433.886 6.444 50 0 IKAARN FC(F)(F)c1cnc(N2CCC(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000020443843 527688984 /nfs/dbraw/zinc/68/89/84/527688984.db2.gz IEMANPPLDXBGRP-UHFFFAOYSA-N 0 0 430.901 6.802 50 0 IKAARN FC(F)Sc1ccc(N=C2NN=C(c3ccc(Br)s3)CS2)cc1 ZINC000012549007 527697580 /nfs/dbraw/zinc/69/75/80/527697580.db2.gz ZPUUCAQCJQGREE-UHFFFAOYSA-N 0 0 434.356 5.744 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004182185 534935863 /nfs/dbraw/zinc/93/58/63/534935863.db2.gz CXBAWHGUKNBWGS-RUZDIDTESA-N 0 0 439.386 7.520 50 0 IKAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000009635874 534977267 /nfs/dbraw/zinc/97/72/67/534977267.db2.gz UQDYKCJYANZGOW-UHFFFAOYSA-N 0 0 431.989 5.244 50 0 IKAARN CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 ZINC000009246874 535084302 /nfs/dbraw/zinc/08/43/02/535084302.db2.gz LSVVQGOVNUXOAF-RSYZWFLXSA-N 0 0 426.604 7.258 50 0 IKAARN CCCCc1ccc(NC(=O)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)c(C)c1 ZINC000008618185 535091485 /nfs/dbraw/zinc/09/14/85/535091485.db2.gz OAYXWLSZLKEMPK-UHFFFAOYSA-N 0 0 436.987 5.893 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(Cl)cc1Cl ZINC000002063149 535096909 /nfs/dbraw/zinc/09/69/09/535096909.db2.gz WCFNEGCVCDBFOH-UHFFFAOYSA-N 0 0 438.426 7.408 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000002062574 535097472 /nfs/dbraw/zinc/09/74/72/535097472.db2.gz ZWYPSROQIJCYMM-UHFFFAOYSA-N 0 0 434.007 6.520 50 0 IKAARN CC(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000003666301 535236167 /nfs/dbraw/zinc/23/61/67/535236167.db2.gz NYFUAJMKVLTBDL-HSZRJFAPSA-N 0 0 441.358 6.799 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000009190023 535295166 /nfs/dbraw/zinc/29/51/66/535295166.db2.gz QXKBOPHSPFAFFG-UQBPGWFLSA-N 0 0 428.532 5.619 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 ZINC000009190027 535295449 /nfs/dbraw/zinc/29/54/49/535295449.db2.gz LEGIQMMIBHNQFE-YADARESESA-N 0 0 428.532 5.619 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 ZINC000009190028 535297057 /nfs/dbraw/zinc/29/70/57/535297057.db2.gz LEGIQMMIBHNQFE-CYFREDJKSA-N 0 0 428.532 5.619 50 0 IKAARN CC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C ZINC000000898818 535374195 /nfs/dbraw/zinc/37/41/95/535374195.db2.gz IETAVFIVVRCJLR-UQBPGWFLSA-N 0 0 430.523 5.995 50 0 IKAARN CC(C)C(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000008817411 535374247 /nfs/dbraw/zinc/37/42/47/535374247.db2.gz NESFTUWYFPCXLD-DFBJGRDBSA-N 0 0 430.523 5.995 50 0 IKAARN CC(C)C(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C ZINC000000898833 535374255 /nfs/dbraw/zinc/37/42/55/535374255.db2.gz IETAVFIVVRCJLR-CLOONOSVSA-N 0 0 430.523 5.995 50 0 IKAARN CCCc1ccc(C(=O)[C@H](C)OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000002659294 535415834 /nfs/dbraw/zinc/41/58/34/535415834.db2.gz OGCGBQVQCPJJMZ-IBGZPJMESA-N 0 0 445.584 6.447 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)Nc1ccccc1 ZINC000002241826 535430374 /nfs/dbraw/zinc/43/03/74/535430374.db2.gz DFSCPQBEVAPFHB-UHFFFAOYSA-N 0 0 428.604 6.892 50 0 IKAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(Cc2ccccc2)o1 ZINC000009171479 535431226 /nfs/dbraw/zinc/43/12/26/535431226.db2.gz GZDFKACNBLPBDY-UHFFFAOYSA-N 0 0 449.576 5.380 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccc(Cl)cc1 ZINC000002346624 535431294 /nfs/dbraw/zinc/43/12/94/535431294.db2.gz TXVVOGFPNVFRCX-UHFFFAOYSA-N 0 0 448.034 7.154 50 0 IKAARN CCOc1ccc2nc(NC(=O)CCN3c4ccccc4Sc4ccccc43)sc2c1 ZINC000013129546 535443715 /nfs/dbraw/zinc/44/37/15/535443715.db2.gz YQGUZPHVKGZSFY-UHFFFAOYSA-N 0 0 447.585 6.327 50 0 IKAARN CCOC(=O)C1CCN(c2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)CC1 ZINC000009289886 535605269 /nfs/dbraw/zinc/60/52/69/535605269.db2.gz SNCOTGQNUDLUEB-UHFFFAOYSA-N 0 0 449.938 5.136 50 0 IKAARN CCOC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000009531166 535606785 /nfs/dbraw/zinc/60/67/85/535606785.db2.gz NKBVRQCMMLHKOR-UHFFFAOYSA-N 0 0 444.510 5.006 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000002749725 535691615 /nfs/dbraw/zinc/69/16/15/535691615.db2.gz RXWGLUXYHDUGPE-UHFFFAOYSA-N 0 0 437.543 5.263 50 0 IKAARN CCOc1ccc(NC(=O)c2sc3ncnc(N4CCc5ccccc5C4)c3c2C)cc1 ZINC000002931601 535750065 /nfs/dbraw/zinc/75/00/65/535750065.db2.gz HDTUNDYRRIGOJU-UHFFFAOYSA-N 0 0 444.560 5.213 50 0 IKAARN CCOc1ccc(NC2=Nc3ccccc3N3Cc4c(C)nn(-c5ccccc5)c4N=C23)cc1 ZINC000003283329 535750356 /nfs/dbraw/zinc/75/03/56/535750356.db2.gz FDWYPZHMXBJGSU-UHFFFAOYSA-N 0 0 448.530 5.785 50 0 IKAARN CCc1cccc(C)c1NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000009250417 535865613 /nfs/dbraw/zinc/86/56/13/535865613.db2.gz KLXMYFLRHBQLJU-UHFFFAOYSA-N 0 0 448.588 5.495 50 0 IKAARN CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000004561819 535952453 /nfs/dbraw/zinc/95/24/53/535952453.db2.gz NTPVNNGNFGYPRG-CMTYHFORSA-N 0 0 426.604 7.212 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000009056664 535960490 /nfs/dbraw/zinc/96/04/90/535960490.db2.gz XISQUFYSDMNNIZ-ZEQKJWHPSA-N 0 0 428.532 5.381 50 0 IKAARN COc1cc(C(C)=O)ccc1OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009646637 536546380 /nfs/dbraw/zinc/54/63/80/536546380.db2.gz PFUYRWUCHUJGEQ-OAQYLSRUSA-N 0 0 433.529 5.157 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000009569233 536548976 /nfs/dbraw/zinc/54/89/76/536548976.db2.gz IPIKJIGULPTVAP-UHFFFAOYSA-N 0 0 426.925 5.255 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1sc2ncnc(N3CCCC[C@H]3C)c2c1C ZINC000002924208 536577032 /nfs/dbraw/zinc/57/70/32/536577032.db2.gz BSZBCFQLZXIPBN-GFCCVEGCSA-N 0 0 430.961 5.293 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1sc2ncnc(N3CCC(C)CC3)c2c1C ZINC000002924483 536577434 /nfs/dbraw/zinc/57/74/34/536577434.db2.gz APPJXFBIKPHASP-UHFFFAOYSA-N 0 0 430.961 5.150 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(C)nc(N3CCCC[C@H]3C)c2c1C ZINC000002924354 536577454 /nfs/dbraw/zinc/57/74/54/536577454.db2.gz CFWAQHOAXJDYMM-GFCCVEGCSA-N 0 0 444.988 5.601 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1OC ZINC000008425616 536581471 /nfs/dbraw/zinc/58/14/71/536581471.db2.gz SJNMKJOWLUSYHQ-FWZNDOBOSA-N 0 0 428.532 5.696 50 0 biogenic IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)cc1 ZINC000008767441 536581695 /nfs/dbraw/zinc/58/16/95/536581695.db2.gz RMUWWAKUMGWGLL-XESWOXFOSA-N 0 0 440.543 5.628 50 0 IKAARN COc1ccc(/C=C/C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000003244849 536594815 /nfs/dbraw/zinc/59/48/15/536594815.db2.gz QEPRAELSSKTTQV-WYMLVPIESA-N 0 0 447.512 5.090 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(F)ccc3C)[C@H]2c2ccccc2)cc1 ZINC000009868169 536660190 /nfs/dbraw/zinc/66/01/90/536660190.db2.gz BZZLGSZBCLIJMW-RCZVLFRGSA-N 0 0 432.495 5.266 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000013120384 536666401 /nfs/dbraw/zinc/66/64/01/536666401.db2.gz UUNCJPDDMFRUFY-AREMUKBSSA-N 0 0 438.531 5.328 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1Cl ZINC000002237425 536734568 /nfs/dbraw/zinc/73/45/68/536734568.db2.gz QVBPZMIMMTUWFX-UHFFFAOYSA-N 0 0 438.380 5.119 50 0 IKAARN COc1cccc2c1N(C(=O)COc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000001228894 536958424 /nfs/dbraw/zinc/95/84/24/536958424.db2.gz RMPFNXNHEOHSNC-UHFFFAOYSA-N 0 0 429.588 5.875 50 0 IKAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(c2cccc(Cl)c2)CC1 ZINC000003063569 536970124 /nfs/dbraw/zinc/97/01/24/536970124.db2.gz IAVATYVFOMSJHA-UHFFFAOYSA-N 0 0 447.970 5.002 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N1CCN(c3ccccc3)CC1)c2Sc1ccccc1 ZINC000009251984 537013595 /nfs/dbraw/zinc/01/35/95/537013595.db2.gz CWKSNNBGVNEJIS-UHFFFAOYSA-N 0 0 443.572 5.290 50 0 IKAARN CCOP(=O)(NSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)OCC ZINC000003214541 556805116 /nfs/dbraw/zinc/80/51/16/556805116.db2.gz PNMOUZFRJSIGHN-UHFFFAOYSA-N 0 0 433.508 6.731 50 0 IKAARN COc1ccccc1N1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000013070174 537072505 /nfs/dbraw/zinc/07/25/05/537072505.db2.gz HZZHJCPYFMFLEN-UHFFFAOYSA-N 0 0 436.968 5.347 50 0 IKAARN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(C)cc2)CCC(=O)N1c1ccc(C)cc1 ZINC000013057400 537105828 /nfs/dbraw/zinc/10/58/28/537105828.db2.gz FKFQBDKFTAQOCO-ZEQKJWHPSA-N 0 0 428.532 5.435 50 0 IKAARN CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000248293413 574420870 /nfs/dbraw/zinc/42/08/70/574420870.db2.gz VGSSUFQMXBFFTM-YARNVVIISA-N 0 0 448.732 6.190 50 0 endogenous,in-man IKAARN CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 ZINC000009071702 555508992 /nfs/dbraw/zinc/50/89/92/555508992.db2.gz CGTIKYXKPUPOHY-SNVBAGLBSA-N 0 0 440.878 5.155 50 0 IKAARN CCOc1ccc(C(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000000623455 555511422 /nfs/dbraw/zinc/51/14/22/555511422.db2.gz QDNBGLVJPIPOJY-UHFFFAOYSA-N 0 0 426.538 5.454 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000000624934 555512035 /nfs/dbraw/zinc/51/20/35/555512035.db2.gz ZRLOTFMMBNJUGQ-UHFFFAOYSA-N 0 0 431.875 5.231 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000000625380 555512397 /nfs/dbraw/zinc/51/23/97/555512397.db2.gz WHPWUJALRSBBHL-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Br)cc4)sc3n2)cc1 ZINC000000626387 555512882 /nfs/dbraw/zinc/51/28/82/555512882.db2.gz WQPTXZLHDDKETN-UHFFFAOYSA-N 0 0 438.350 5.869 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000000627845 555513475 /nfs/dbraw/zinc/51/34/75/555513475.db2.gz MTRFGLGQFXAQRS-MUUNZHRXSA-N 0 0 447.542 6.001 50 0 IKAARN COc1ccc(C(=O)[C@@H](Cn2cncn2)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000630068 555514302 /nfs/dbraw/zinc/51/43/02/555514302.db2.gz RXRFAQKQVNVOKI-ILBGXUMGSA-N 0 0 429.545 5.319 50 0 IKAARN Cc1ccc(S[C@@H](c2ccc(C)cc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000630004 555514326 /nfs/dbraw/zinc/51/43/26/555514326.db2.gz AXPPVMHDDFLJTO-RSXGOPAZSA-N 0 0 427.573 5.928 50 0 IKAARN Cc1ccc(S[C@H](c2ccc(C)cc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000630007 555514332 /nfs/dbraw/zinc/51/43/32/555514332.db2.gz AXPPVMHDDFLJTO-AOYPEHQESA-N 0 0 427.573 5.928 50 0 IKAARN O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)c1ccco1 ZINC000000632100 555515247 /nfs/dbraw/zinc/51/52/47/555515247.db2.gz ITMHKALMANXRJG-UHFFFAOYSA-N 0 0 444.537 5.682 50 0 IKAARN Brc1ccc(-c2nc3scc(-c4ccc(Br)cc4)n3n2)cc1 ZINC000000632366 555515503 /nfs/dbraw/zinc/51/55/03/555515503.db2.gz MNBSHMWUAZWCTF-UHFFFAOYSA-N 0 0 435.144 5.650 50 0 IKAARN Cc1ccc(Oc2cc(-n3ncc(Cl)c(Cl)c3=O)nc(-c3ccccc3)n2)cc1 ZINC000000632503 555515521 /nfs/dbraw/zinc/51/55/21/555515521.db2.gz WOVRDFVRSMTQJF-UHFFFAOYSA-N 0 0 425.275 5.097 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2F)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000000634412 555516413 /nfs/dbraw/zinc/51/64/13/555516413.db2.gz WKFYBOVPVUOEHD-UHFFFAOYSA-N 0 0 441.506 5.338 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)C(/C=C/c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000000634419 555516416 /nfs/dbraw/zinc/51/64/16/555516416.db2.gz PTQBOWVVDUQGOG-VHEBQXMUSA-N 0 0 449.554 5.745 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000000635905 555516763 /nfs/dbraw/zinc/51/67/63/555516763.db2.gz BCCLDKHKGGZOJH-LOSJGSFVSA-N 0 0 438.556 5.521 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)Nc1ccccc1N)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000638573 555517540 /nfs/dbraw/zinc/51/75/40/555517540.db2.gz PLGAEMUAVIFUDD-UHFFFAOYSA-N 0 0 447.922 5.064 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000000639656 555517845 /nfs/dbraw/zinc/51/78/45/555517845.db2.gz AFGPVXVFZRRJGM-UHFFFAOYSA-N 0 0 436.515 6.565 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000000642739 555518957 /nfs/dbraw/zinc/51/89/57/555518957.db2.gz PLHQFIHIGVQEPR-LLVKDONJSA-N 0 0 443.135 5.016 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C ZINC000000642336 555519047 /nfs/dbraw/zinc/51/90/47/555519047.db2.gz ZXQSYASZXWIIRR-UHFFFAOYSA-N 0 0 435.380 5.391 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000000642702 555519057 /nfs/dbraw/zinc/51/90/57/555519057.db2.gz YWVOAOMNINVWJR-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN CC(=O)Nc1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000643881 555519490 /nfs/dbraw/zinc/51/94/90/555519490.db2.gz UMENSJNOTAHPHD-GOSISDBHSA-N 0 0 443.330 5.500 50 0 IKAARN C[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000000643586 555519518 /nfs/dbraw/zinc/51/95/18/555519518.db2.gz JMKHMPCWYVWVRX-RXFWQSSRSA-N 0 0 438.527 5.903 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCc2ccco2)C1 ZINC000000643950 555519611 /nfs/dbraw/zinc/51/96/11/555519611.db2.gz HGWZQOLVHFORQO-CQSZACIVSA-N 0 0 442.606 5.736 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCC2)C1 ZINC000000643923 555519618 /nfs/dbraw/zinc/51/96/18/555519618.db2.gz BHPMPNLYBIODNW-HNNXBMFYSA-N 0 0 430.639 5.839 50 0 IKAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)c2cccnc2)C[C@H](C(C)(C)C)CC3)c1 ZINC000000644021 555519740 /nfs/dbraw/zinc/51/97/40/555519740.db2.gz XJYCGQXVCCMWTE-GOSISDBHSA-N 0 0 447.604 6.107 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000000644186 555519823 /nfs/dbraw/zinc/51/98/23/555519823.db2.gz KWCZNOWDQRRZIQ-GFCCVEGCSA-N 0 0 425.743 5.771 50 0 IKAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccncc1)C[C@@H](C(C)(C)C)CC2 ZINC000000644022 555519851 /nfs/dbraw/zinc/51/98/51/555519851.db2.gz ANSSEJLJGGQVBU-SFHVURJKSA-N 0 0 447.604 6.107 50 0 IKAARN C[C@@H](NC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000000646607 555521012 /nfs/dbraw/zinc/52/10/12/555521012.db2.gz BBLCAZMDHUTLJL-CYBMUJFWSA-N 0 0 435.446 5.271 50 0 IKAARN Cc1ccc(C)c(Oc2coc3cc(OCC(=O)Nc4ccccc4F)ccc3c2=O)c1 ZINC000000646737 555521332 /nfs/dbraw/zinc/52/13/32/555521332.db2.gz FUUBKDCPMLKEFU-UHFFFAOYSA-N 0 0 433.435 5.359 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(C)c4)c3N2)cc1 ZINC000000646986 555521344 /nfs/dbraw/zinc/52/13/44/555521344.db2.gz KHMYBUJMXMAJNU-UXHICEINSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2)c(C)c1Cl ZINC000000647235 555521352 /nfs/dbraw/zinc/52/13/52/555521352.db2.gz VBIWOLIYMYVYRY-UHFFFAOYSA-N 0 0 425.916 5.019 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000000646949 555521389 /nfs/dbraw/zinc/52/13/89/555521389.db2.gz LJUPEZOJSBKFTP-IEBWSBKVSA-N 0 0 448.876 5.469 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3)nc(-c3ccc(F)cc3)nc12 ZINC000000648803 555521867 /nfs/dbraw/zinc/52/18/67/555521867.db2.gz UEHUPJIEACSKDO-UHFFFAOYSA-N 0 0 447.535 5.738 50 0 IKAARN Cc1ccc(OCc2nnc(SCC(=O)OC3CCCCC3)n2-c2ccccc2)cc1 ZINC000000648736 555521931 /nfs/dbraw/zinc/52/19/31/555521931.db2.gz VUNMYUPFQNUVKM-UHFFFAOYSA-N 0 0 437.565 5.123 50 0 IKAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000649323 555522211 /nfs/dbraw/zinc/52/22/11/555522211.db2.gz MBARFYJDABALTC-UHFFFAOYSA-N 0 0 444.004 5.220 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2n1 ZINC000000650173 555522655 /nfs/dbraw/zinc/52/26/55/555522655.db2.gz WOWZZTGWQBNSFJ-UHFFFAOYSA-N 0 0 441.556 5.502 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000651506 555522960 /nfs/dbraw/zinc/52/29/60/555522960.db2.gz QLHUSOZUPUCYAY-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1cc(C(F)F)nc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(N)c21 ZINC000000651590 555522989 /nfs/dbraw/zinc/52/29/89/555522989.db2.gz NBLDMIOELKCZCD-UHFFFAOYSA-N 0 0 435.805 6.049 50 0 IKAARN O=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000652099 555523301 /nfs/dbraw/zinc/52/33/01/555523301.db2.gz BAFCKXBBBNTJLW-UHFFFAOYSA-N 0 0 428.438 6.136 50 0 IKAARN COc1cccc2cc(C(N)=O)/c(=N/c3ccc(-c4nc5ccc(C)cc5s4)cc3)oc21 ZINC000000652890 555523504 /nfs/dbraw/zinc/52/35/04/555523504.db2.gz JSZISESCZNCGAM-PNHLSOANSA-N 0 0 441.512 5.358 50 0 IKAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000000652764 555523525 /nfs/dbraw/zinc/52/35/25/555523525.db2.gz RNLYRMXUYFWWPD-UHFFFAOYSA-N 0 0 433.432 5.064 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)cc1 ZINC000000653495 555524082 /nfs/dbraw/zinc/52/40/82/555524082.db2.gz JDVCPTPPDIHRHW-VXKWHMMOSA-N 0 0 440.952 5.191 50 0 IKAARN Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000655836 555524851 /nfs/dbraw/zinc/52/48/51/555524851.db2.gz KDIZYZOSYHGVLB-QGZVFWFLSA-N 0 0 425.488 5.067 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000000656620 555525108 /nfs/dbraw/zinc/52/51/08/555525108.db2.gz XGVZIHOBXYHAAR-UHFFFAOYSA-N 0 0 438.336 5.303 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000000657225 555525388 /nfs/dbraw/zinc/52/53/88/555525388.db2.gz LJDFXERVEYITCU-UHFFFAOYSA-N 0 0 428.922 5.717 50 0 IKAARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000656991 555525398 /nfs/dbraw/zinc/52/53/98/555525398.db2.gz BGDOLOINAPOLPA-CQSZACIVSA-N 0 0 436.314 5.400 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC)cc1OC ZINC000000657228 555525418 /nfs/dbraw/zinc/52/54/18/555525418.db2.gz MRQQCRXNZLAYKT-UHFFFAOYSA-N 0 0 429.469 5.000 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000657506 555525738 /nfs/dbraw/zinc/52/57/38/555525738.db2.gz UKWLJGLLICAWBG-YRNVUSSQSA-N 0 0 435.501 5.281 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000000658575 555526040 /nfs/dbraw/zinc/52/60/40/555526040.db2.gz GMVMCVQFXFKCGB-UHFFFAOYSA-N 0 0 431.414 5.956 50 0 IKAARN O=C(c1ccc(COc2ccc(Cl)cc2Cl)cc1)n1cc(Br)cn1 ZINC000000659240 555526054 /nfs/dbraw/zinc/52/60/54/555526054.db2.gz NEBNGTTXFZIADO-UHFFFAOYSA-N 0 0 426.097 5.220 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000000659175 555526108 /nfs/dbraw/zinc/52/61/08/555526108.db2.gz XLIFZMJUAVIETA-UHFFFAOYSA-N 0 0 440.293 5.067 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000000660117 555526355 /nfs/dbraw/zinc/52/63/55/555526355.db2.gz FPTKJGFOBXUNNM-UHFFFAOYSA-N 0 0 445.268 5.503 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(Br)cc32)no1 ZINC000000659444 555526410 /nfs/dbraw/zinc/52/64/10/555526410.db2.gz LAHCSKFDEXBJKB-UHFFFAOYSA-N 0 0 442.700 5.866 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccccc4Cl)sc3n2)c1 ZINC000000661245 555526762 /nfs/dbraw/zinc/52/67/62/555526762.db2.gz HZLBRPDLEJGGQC-UHFFFAOYSA-N 0 0 437.952 5.180 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Br)cc4)sc3n2)c1 ZINC000000661336 555526766 /nfs/dbraw/zinc/52/67/66/555526766.db2.gz APHYVMDBSJETMH-UHFFFAOYSA-N 0 0 439.334 5.548 50 0 IKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000661677 555527101 /nfs/dbraw/zinc/52/71/01/555527101.db2.gz CWTBUMFLYJQWJL-UHFFFAOYSA-N 0 0 432.307 6.244 50 0 IKAARN COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCCC4)cc1 ZINC000000664016 555527667 /nfs/dbraw/zinc/52/76/67/555527667.db2.gz ZIFIUQOBVSMWBJ-UHFFFAOYSA-N 0 0 449.498 5.105 50 0 IKAARN COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000000667960 555529560 /nfs/dbraw/zinc/52/95/60/555529560.db2.gz IBZFTBRFTXIZSZ-QPLCGJKRSA-N 0 0 430.529 5.273 50 0 IKAARN COc1ccccc1NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N ZINC000000667752 555529590 /nfs/dbraw/zinc/52/95/90/555529590.db2.gz GVQHCDUMEHBMCT-UHFFFAOYSA-N 0 0 433.411 5.418 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(Br)cc1Br ZINC000000670720 555530781 /nfs/dbraw/zinc/53/07/81/555530781.db2.gz NKDCLEYNWMOFAH-UHFFFAOYSA-N 0 0 434.511 5.158 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000000670358 555530824 /nfs/dbraw/zinc/53/08/24/555530824.db2.gz OXQFKNQWCZSLFH-GHMZBOCLSA-N 0 0 441.380 5.075 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)c3ccccc3n2)cc1 ZINC000000670878 555530952 /nfs/dbraw/zinc/53/09/52/555530952.db2.gz UPPVDSBYBLABOJ-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000000671001 555530983 /nfs/dbraw/zinc/53/09/83/555530983.db2.gz GCUCPIXNKFTBNB-UHFFFAOYSA-N 0 0 448.997 5.228 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000000670904 555530995 /nfs/dbraw/zinc/53/09/95/555530995.db2.gz QFKDDSISYORQNV-UHFFFAOYSA-N 0 0 448.588 5.022 50 0 IKAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000000670981 555530999 /nfs/dbraw/zinc/53/09/99/555530999.db2.gz SNFMCRFPQQJHOO-UHFFFAOYSA-N 0 0 434.561 5.027 50 0 IKAARN COc1cccc(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)c1 ZINC000000672643 555531963 /nfs/dbraw/zinc/53/19/63/555531963.db2.gz FYMKUUXCWANUTI-UHFFFAOYSA-N 0 0 434.464 5.865 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C)c1-c1ccc(Cl)cc1 ZINC000000672891 555532158 /nfs/dbraw/zinc/53/21/58/555532158.db2.gz MFUIDVLLFSGRRA-UHFFFAOYSA-N 0 0 429.881 5.145 50 0 IKAARN COc1ccc2[nH]c(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000000672731 555532199 /nfs/dbraw/zinc/53/21/99/555532199.db2.gz FQLIQARDHRSWMO-UHFFFAOYSA-N 0 0 449.376 5.340 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000673716 555532241 /nfs/dbraw/zinc/53/22/41/555532241.db2.gz GFSHVKKTYJCAMH-UHFFFAOYSA-N 0 0 430.118 6.194 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)C1CCCCC1 ZINC000000673946 555532450 /nfs/dbraw/zinc/53/24/50/555532450.db2.gz AMBGVFFJXMZQSY-OCCSQVGLSA-N 0 0 446.926 5.663 50 0 IKAARN CC1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)CC1 ZINC000000673825 555532462 /nfs/dbraw/zinc/53/24/62/555532462.db2.gz BDRJBIBMMOPNCV-WCQYABFASA-N 0 0 432.899 5.130 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2cc(C)ccc2C(C)C)c1C(N)=O ZINC000000674648 555533454 /nfs/dbraw/zinc/53/34/54/555533454.db2.gz CHEKCJMPFOPYNC-UHFFFAOYSA-N 0 0 436.577 5.196 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 ZINC000000674781 555533791 /nfs/dbraw/zinc/53/37/91/555533791.db2.gz ZCLHYOSGLYGZBR-HEFCMCLBSA-N 0 0 444.457 5.157 50 0 IKAARN CC1CCN(C(=O)COc2ccc3cc(Br)ccc3c2Br)CC1 ZINC000000674819 555533821 /nfs/dbraw/zinc/53/38/21/555533821.db2.gz ZGZDKMYQCVYIMY-UHFFFAOYSA-N 0 0 441.163 5.002 50 0 IKAARN Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000674988 555534036 /nfs/dbraw/zinc/53/40/36/555534036.db2.gz FTLGGQUCCXQVCW-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 ZINC000000675273 555534295 /nfs/dbraw/zinc/53/42/95/555534295.db2.gz KMQXEBKRCFGTHL-FUHWJXTLSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 ZINC000000675271 555534308 /nfs/dbraw/zinc/53/43/08/555534308.db2.gz KMQXEBKRCFGTHL-SJLPKXTDSA-N 0 0 434.849 5.758 50 0 IKAARN COC(=O)c1c(C)c(C(=O)Nc2cc(C)cc(C)c2)sc1NC(=O)c1cccs1 ZINC000000676517 555534904 /nfs/dbraw/zinc/53/49/04/555534904.db2.gz YOJPFDXSDMELGY-UHFFFAOYSA-N 0 0 428.535 5.026 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000677209 555535506 /nfs/dbraw/zinc/53/55/06/555535506.db2.gz HWEIBQNKLLVIHJ-CQSZACIVSA-N 0 0 436.865 5.473 50 0 IKAARN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000000677893 555535664 /nfs/dbraw/zinc/53/56/64/555535664.db2.gz MYRFLKPFDVKFQH-WEVVVXLNSA-N 0 0 431.275 5.499 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 ZINC000000677995 555535682 /nfs/dbraw/zinc/53/56/82/555535682.db2.gz DBBGWPVZJQRDON-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN O=C(Nc1ccc(OC(=O)c2ccccc2)c(-c2nc3ccccc3o2)c1)c1ccccc1 ZINC000000678014 555535752 /nfs/dbraw/zinc/53/57/52/555535752.db2.gz YFUVNABLTFFDLN-UHFFFAOYSA-N 0 0 434.451 5.966 50 0 IKAARN COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000000677996 555535776 /nfs/dbraw/zinc/53/57/76/555535776.db2.gz YCNRXPOHBYTGHA-UHFFFAOYSA-N 0 0 444.487 5.733 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000000678272 555536033 /nfs/dbraw/zinc/53/60/33/555536033.db2.gz RVEQDOFBIHZXII-UHFFFAOYSA-N 0 0 429.863 5.957 50 0 IKAARN Cc1ccc(-n2nc3cc(Cl)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 ZINC000000678765 555536242 /nfs/dbraw/zinc/53/62/42/555536242.db2.gz ZGBABTVRITYIAA-UHFFFAOYSA-N 0 0 443.359 5.767 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Br ZINC000000678922 555536539 /nfs/dbraw/zinc/53/65/39/555536539.db2.gz ADWPXEMTOHBVAZ-UHFFFAOYSA-N 0 0 437.668 5.248 50 0 IKAARN COc1ccc(C(=O)Nc2nnc(SCc3ccc(C(C)(C)C)cc3)s2)cc1OC ZINC000000679525 555536869 /nfs/dbraw/zinc/53/68/69/555536869.db2.gz VDFQEAPOXOEQGX-UHFFFAOYSA-N 0 0 443.594 5.397 50 0 IKAARN Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2o1 ZINC000000679782 555537166 /nfs/dbraw/zinc/53/71/66/555537166.db2.gz MKWGLCQFMWMFIS-UHFFFAOYSA-N 0 0 429.867 5.290 50 0 IKAARN CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000683124 555538526 /nfs/dbraw/zinc/53/85/26/555538526.db2.gz CPOSATSHRQAVFC-SNVBAGLBSA-N 0 0 445.176 5.340 50 0 IKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)cc1 ZINC000000683012 555538551 /nfs/dbraw/zinc/53/85/51/555538551.db2.gz QRLLRWRHJXMYHG-PMACEKPBSA-N 0 0 432.520 5.115 50 0 IKAARN CCc1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000000683329 555538627 /nfs/dbraw/zinc/53/86/27/555538627.db2.gz OULJLHWAYCXJAP-QGZVFWFLSA-N 0 0 429.343 5.089 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(C)c(C)c1)Nc1ccc(Br)cc1-2 ZINC000000683379 555538640 /nfs/dbraw/zinc/53/86/40/555538640.db2.gz BUZJMNXVQWHSPZ-QGZVFWFLSA-N 0 0 429.343 5.143 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1c(Cl)cccc1Cl ZINC000000684347 555539168 /nfs/dbraw/zinc/53/91/68/555539168.db2.gz INRQVNBKPXLVSV-LJQANCHMSA-N 0 0 447.347 5.402 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(Cl)cc1Cl ZINC000000684344 555539210 /nfs/dbraw/zinc/53/92/10/555539210.db2.gz DXXGBLSGJNXZFQ-IBGZPJMESA-N 0 0 447.347 5.402 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1c(Cl)cccc1Cl ZINC000000684346 555539279 /nfs/dbraw/zinc/53/92/79/555539279.db2.gz INRQVNBKPXLVSV-IBGZPJMESA-N 0 0 447.347 5.402 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc2ccccc21 ZINC000000684706 555539481 /nfs/dbraw/zinc/53/94/81/555539481.db2.gz RAZHTZSGFLIIQI-DEOSSOPVSA-N 0 0 442.544 5.638 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1cccc3ccccc31)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000000684876 555539503 /nfs/dbraw/zinc/53/95/03/555539503.db2.gz FYTFISSWXIOFCK-QFIPXVFZSA-N 0 0 448.935 5.511 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc2ccccc2c1 ZINC000000684698 555539521 /nfs/dbraw/zinc/53/95/21/555539521.db2.gz WORFYTQQZLFLKG-DEOSSOPVSA-N 0 0 442.544 5.638 50 0 IKAARN O=C1NC(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000000686529 555539758 /nfs/dbraw/zinc/53/97/58/555539758.db2.gz MKRFQCCNCLCPQP-WSDLNYQXSA-N 0 0 445.881 5.579 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C(C)C)o2)c1 ZINC000000687473 555540762 /nfs/dbraw/zinc/54/07/62/555540762.db2.gz OJZZFIRBZNDBIW-UHFFFAOYSA-N 0 0 446.370 5.662 50 0 IKAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc5ccccc5c4)n3C)oc21 ZINC000000687508 555540792 /nfs/dbraw/zinc/54/07/92/555540792.db2.gz LWTJJWLANAXWTM-UHFFFAOYSA-N 0 0 444.516 5.121 50 0 IKAARN CC1(C)CN(c2ccccc2)C(=O)[C@@H]1OC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000688157 555541308 /nfs/dbraw/zinc/54/13/08/555541308.db2.gz LJQCICPMTOGJIE-MTOXIIMISA-N 0 0 437.539 5.269 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000000689279 555541654 /nfs/dbraw/zinc/54/16/54/555541654.db2.gz XIRWVKJGPPHNCX-UHFFFAOYSA-N 0 0 436.540 5.818 50 0 IKAARN COc1cccc(-c2nc3n[nH]c(Cc4ccccc4)c3c3cc(OC)c(OC)cc32)c1 ZINC000000690007 555541660 /nfs/dbraw/zinc/54/16/60/555541660.db2.gz JZPXQCBCBADTRN-UHFFFAOYSA-N 0 0 425.488 5.395 50 0 IKAARN COc1ccc(-c2nc3c(cnn3-c3ccccc3)c3cc(OC)c(OC)cc32)cc1OC ZINC000000689991 555541674 /nfs/dbraw/zinc/54/16/74/555541674.db2.gz FHKTXCGDMDZUPU-UHFFFAOYSA-N 0 0 441.487 5.275 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000000692998 555542292 /nfs/dbraw/zinc/54/22/92/555542292.db2.gz QEGDZVHORLCBPO-UHFFFAOYSA-N 0 0 436.920 5.013 50 0 IKAARN O=C1c2ccc(-c3nc4ccccc4s3)cc2C(=O)N1c1ccc(Br)cc1 ZINC000000692884 555542327 /nfs/dbraw/zinc/54/23/27/555542327.db2.gz QFIIJAYWNRULDL-UHFFFAOYSA-N 0 0 435.302 5.526 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc2c(c1)Cc1cc(NC(=O)Cc3ccccc3)ccc1-2 ZINC000000692752 555542361 /nfs/dbraw/zinc/54/23/61/555542361.db2.gz ZCWPPHRVVPJKPX-UHFFFAOYSA-N 0 0 432.523 5.620 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000000692879 555542400 /nfs/dbraw/zinc/54/24/00/555542400.db2.gz RWHUUAMFWJFHDE-UHFFFAOYSA-N 0 0 440.253 5.020 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000000701852 555542854 /nfs/dbraw/zinc/54/28/54/555542854.db2.gz CRDRAHWTQVPGAB-UHFFFAOYSA-N 0 0 445.302 5.028 50 0 IKAARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)c(Cl)c1 ZINC000000704257 555544308 /nfs/dbraw/zinc/54/43/08/555544308.db2.gz SMIZFYBONRWABS-FLFQWRMESA-N 0 0 434.392 5.088 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1cccc2ccccc21 ZINC000000705031 555544623 /nfs/dbraw/zinc/54/46/23/555544623.db2.gz CJTZNHKIJYMXAU-UHFFFAOYSA-N 0 0 425.307 5.627 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)c2)cs1 ZINC000000706304 555544750 /nfs/dbraw/zinc/54/47/50/555544750.db2.gz RZYIKPGRKYYMJB-UHFFFAOYSA-N 0 0 441.306 5.240 50 0 aggregator IKAARN O=C(Oc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1)c1ccco1 ZINC000000706941 555545145 /nfs/dbraw/zinc/54/51/45/555545145.db2.gz CNVUPTMAMYTSKJ-UHFFFAOYSA-N 0 0 434.753 5.944 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 ZINC000000708079 555545671 /nfs/dbraw/zinc/54/56/71/555545671.db2.gz UDGLRUCKYKVVIR-ZOVQAKDCSA-N 0 0 427.931 5.609 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1cc(C)c3ccccc3n1)CCC2 ZINC000000710221 555547058 /nfs/dbraw/zinc/54/70/58/555547058.db2.gz JTOLVEZNRIAMCN-UHFFFAOYSA-N 0 0 426.563 5.001 50 0 IKAARN CCOC(=O)c1cc(Oc2nc(C)nc3sc4c(c32)CCCC4)cc(C(=O)OCC)c1 ZINC000000710251 555547135 /nfs/dbraw/zinc/54/71/35/555547135.db2.gz FOVAFNIHXAYDKS-UHFFFAOYSA-N 0 0 440.521 5.024 50 0 IKAARN O=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccc2ccccc2c1 ZINC000000710914 555547138 /nfs/dbraw/zinc/54/71/38/555547138.db2.gz APYPPSHSCGGWHC-UHFFFAOYSA-N 0 0 426.541 5.817 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000000711960 555547505 /nfs/dbraw/zinc/54/75/05/555547505.db2.gz YDRZYKMYBIVNJX-UHFFFAOYSA-N 0 0 449.535 6.074 50 0 IKAARN COc1ccccc1Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000000712896 555547708 /nfs/dbraw/zinc/54/77/08/555547708.db2.gz OKKDXXSWDPBASI-UHFFFAOYSA-N 0 0 429.295 5.431 50 0 IKAARN Cc1cccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc3ccccc32)c1 ZINC000000716251 555548648 /nfs/dbraw/zinc/54/86/48/555548648.db2.gz COVIINVHQVDQOL-UHFFFAOYSA-N 0 0 434.495 5.091 50 0 IKAARN S=c1n(CN2CCCC2)nc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000000716246 555548668 /nfs/dbraw/zinc/54/86/68/555548668.db2.gz UWYFYRYWVIYUSC-UHFFFAOYSA-N 0 0 448.636 6.083 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1Cl)CCC2 ZINC000000715552 555548685 /nfs/dbraw/zinc/54/86/85/555548685.db2.gz WZQWSCBGKXQQQH-UHFFFAOYSA-N 0 0 430.913 5.283 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3c(-c4ccccc4)nc4ccccn43)nc2c1 ZINC000000719927 555549339 /nfs/dbraw/zinc/54/93/39/555549339.db2.gz YDHINJDHVNEEAM-UHFFFAOYSA-N 0 0 443.532 5.007 50 0 IKAARN COC(=O)c1cc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)cc(C(=O)OC)c1 ZINC000000719330 555549369 /nfs/dbraw/zinc/54/93/69/555549369.db2.gz GCMQCKTUECEZMI-UHFFFAOYSA-N 0 0 442.471 5.279 50 0 IKAARN CCOc1ccc(CCNC(=O)c2c(C)onc2-c2ccccc2Cl)cc1OCC ZINC000000718628 555549427 /nfs/dbraw/zinc/54/94/27/555549427.db2.gz MOHYCDJANILQJQ-UHFFFAOYSA-N 0 0 428.916 5.073 50 0 IKAARN CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)o2)cc1 ZINC000000720151 555549779 /nfs/dbraw/zinc/54/97/79/555549779.db2.gz FHLQCMNORAUNIV-VWLOTQADSA-N 0 0 438.483 5.894 50 0 IKAARN O=C(CSc1nc2cc(Br)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000000721191 555550182 /nfs/dbraw/zinc/55/01/82/555550182.db2.gz PLZNAWZWIOIZHY-UHFFFAOYSA-N 0 0 437.362 5.822 50 0 IKAARN Clc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2ccccc2)cc1Cl ZINC000000721374 555550188 /nfs/dbraw/zinc/55/01/88/555550188.db2.gz MWMJLGIAOLTETI-UHFFFAOYSA-N 0 0 433.302 5.489 50 0 IKAARN Cc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2-c2ccccc2Cl)cc1 ZINC000000721455 555550193 /nfs/dbraw/zinc/55/01/93/555550193.db2.gz WFYBUUNUKIAMSY-UHFFFAOYSA-N 0 0 430.924 5.477 50 0 IKAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1cccc(Br)c1)CCC2 ZINC000000722366 555550418 /nfs/dbraw/zinc/55/04/18/555550418.db2.gz XGJOGGSUSHHZKZ-UHFFFAOYSA-N 0 0 441.350 5.504 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)cc1Cl ZINC000000722724 555550459 /nfs/dbraw/zinc/55/04/59/555550459.db2.gz ZSTZVERQYWBVDC-UHFFFAOYSA-N 0 0 436.895 5.791 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000000722603 555550535 /nfs/dbraw/zinc/55/05/35/555550535.db2.gz UVIIIXIQAIOMNT-UHFFFAOYSA-N 0 0 425.282 5.973 50 0 IKAARN COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc(OC)c1OC ZINC000000723899 555550754 /nfs/dbraw/zinc/55/07/54/555550754.db2.gz DAJBAAQACVTYSQ-BCHFMIIMSA-N 0 0 431.557 6.243 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(I)cc1 ZINC000000726996 555551613 /nfs/dbraw/zinc/55/16/13/555551613.db2.gz KJUWOVJPYHQWAP-UHFFFAOYSA-N 0 0 439.636 5.127 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CCCC2 ZINC000000728721 555552188 /nfs/dbraw/zinc/55/21/88/555552188.db2.gz ZEAPMCIVKLRWAE-UHFFFAOYSA-N 0 0 428.337 5.128 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1ccccc1 ZINC000000729263 555552253 /nfs/dbraw/zinc/55/22/53/555552253.db2.gz HWGBZQVVUQTJTP-UHFFFAOYSA-N 0 0 442.924 5.391 50 0 IKAARN COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000000729507 555552525 /nfs/dbraw/zinc/55/25/25/555552525.db2.gz IDVWAKXQPFNNCL-RPWUZVMVSA-N 0 0 437.923 5.510 50 0 IKAARN COc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000000729506 555552611 /nfs/dbraw/zinc/55/26/11/555552611.db2.gz IDVWAKXQPFNNCL-DNQXCXABSA-N 0 0 437.923 5.510 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1)c1cccs1 ZINC000000755588 555554130 /nfs/dbraw/zinc/55/41/30/555554130.db2.gz JFJUHFWMQXVBGE-UHFFFAOYSA-N 0 0 445.525 6.122 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1Cc1ccccc1 ZINC000000756538 555554142 /nfs/dbraw/zinc/55/41/42/555554142.db2.gz UGRPKUFZHQKDCT-VWLOTQADSA-N 0 0 429.520 5.453 50 0 IKAARN COc1ccc(NC2=C[C@@H](c3ccc(C(C)C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000783564 555555607 /nfs/dbraw/zinc/55/56/07/555555607.db2.gz JKIBHVCFDONATR-SANMLTNESA-N 0 0 428.532 5.911 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(-c4ccccc4)cc3)o2)cc1OC ZINC000000795618 555557942 /nfs/dbraw/zinc/55/79/42/555557942.db2.gz BWTUTDQAZLTHKH-UHFFFAOYSA-N 0 0 432.501 5.396 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1OC ZINC000000799261 555558925 /nfs/dbraw/zinc/55/89/25/555558925.db2.gz UPKOHGPPJQEIDL-UHFFFAOYSA-N 0 0 432.907 5.502 50 0 IKAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000803874 555559648 /nfs/dbraw/zinc/55/96/48/555559648.db2.gz IULPQALWRPXAAG-UHFFFAOYSA-N 0 0 430.411 5.091 50 0 IKAARN Cc1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000000808223 555560232 /nfs/dbraw/zinc/56/02/32/555560232.db2.gz BUUKZPDZZWVWRD-UHFFFAOYSA-N 0 0 432.332 5.258 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000000812070 555560855 /nfs/dbraw/zinc/56/08/55/555560855.db2.gz RYDSSQQTWKRDLN-UHFFFAOYSA-N 0 0 435.263 5.108 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000812044 555560858 /nfs/dbraw/zinc/56/08/58/555560858.db2.gz VOMFMBQEFYHSDG-UHFFFAOYSA-N 0 0 426.472 5.311 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ccc3o2)cc1)C1CCCCC1 ZINC000000813318 555561186 /nfs/dbraw/zinc/56/11/86/555561186.db2.gz QZSVUWXQUUFLDH-UHFFFAOYSA-N 0 0 445.563 6.532 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cc(Cl)ccc1Cl ZINC000000814250 555561212 /nfs/dbraw/zinc/56/12/12/555561212.db2.gz UPEIJRLHUXDUII-AWEZNQCLSA-N 0 0 435.254 5.454 50 0 IKAARN CCOc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc(Br)c1OC ZINC000000812924 555561240 /nfs/dbraw/zinc/56/12/40/555561240.db2.gz ZCFQUXYQGATNJI-QGZVFWFLSA-N 0 0 426.310 5.484 50 0 IKAARN O=C(c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1 ZINC000000820587 555563490 /nfs/dbraw/zinc/56/34/90/555563490.db2.gz XECPRXCRAQFJAK-UHFFFAOYSA-N 0 0 448.478 5.379 50 0 IKAARN Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)n1 ZINC000000818854 555563511 /nfs/dbraw/zinc/56/35/11/555563511.db2.gz SAZXLVKLKPSYLU-UHFFFAOYSA-N 0 0 439.393 5.178 50 0 IKAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000821284 555563870 /nfs/dbraw/zinc/56/38/70/555563870.db2.gz HFTDKUWXRVFBKP-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN Cc1cc2nc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)sc2cc1C ZINC000010526504 555564140 /nfs/dbraw/zinc/56/41/40/555564140.db2.gz UQWFJQOSSLSJSF-GFCCVEGCSA-N 0 0 441.405 6.107 50 0 IKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(Br)cc1 ZINC000000826458 555565075 /nfs/dbraw/zinc/56/50/75/555565075.db2.gz JGFXCWZBXOCBBB-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827120 555565449 /nfs/dbraw/zinc/56/54/49/555565449.db2.gz VSEUZTMYHGPVAM-UHFFFAOYSA-N 0 0 440.303 5.279 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000829957 555566062 /nfs/dbraw/zinc/56/60/62/555566062.db2.gz WMTQIDINMIKZBK-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc(OC)c1OC ZINC000000830202 555566309 /nfs/dbraw/zinc/56/63/09/555566309.db2.gz VHEYVUNZOLDSAT-UHFFFAOYSA-N 0 0 434.517 5.550 50 0 IKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1I ZINC000000834159 555566575 /nfs/dbraw/zinc/56/65/75/555566575.db2.gz HPPNQIYWHDAMLT-UHFFFAOYSA-N 0 0 426.468 5.504 50 0 IKAARN O=C(N/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1)c1ccccc1 ZINC000000832935 555566646 /nfs/dbraw/zinc/56/66/46/555566646.db2.gz QSMTUVHWFKWHKP-OQKWZONESA-N 0 0 434.923 5.383 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc2ccccc2o1 ZINC000000841559 555568113 /nfs/dbraw/zinc/56/81/13/555568113.db2.gz KGUHPEWWVWHLPX-UHFFFAOYSA-N 0 0 433.261 6.256 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000000842356 555568139 /nfs/dbraw/zinc/56/81/39/555568139.db2.gz XIULKIVCQLYOIU-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000000844060 555568409 /nfs/dbraw/zinc/56/84/09/555568409.db2.gz DISLAEUFRAHZLI-UHFFFAOYSA-N 0 0 439.682 5.510 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000000843542 555568438 /nfs/dbraw/zinc/56/84/38/555568438.db2.gz QIPZVDQHCSKCMN-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 ZINC000000844292 555568779 /nfs/dbraw/zinc/56/87/79/555568779.db2.gz PTXWHJKGAJFIKJ-XMMPIXPASA-N 0 0 434.536 5.763 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc(OCC)c1OCC ZINC000000847198 555569868 /nfs/dbraw/zinc/56/98/68/555569868.db2.gz YBEUFNQOLLPHDQ-UHFFFAOYSA-N 0 0 447.491 5.338 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc(OCC)c1OCC ZINC000000847199 555569944 /nfs/dbraw/zinc/56/99/44/555569944.db2.gz PHOWFLYUGVLEDT-UHFFFAOYSA-N 0 0 447.491 5.338 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848724 555570183 /nfs/dbraw/zinc/57/01/83/555570183.db2.gz KDBKYBISQMEGGF-HNNXBMFYSA-N 0 0 436.865 5.473 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848725 555570216 /nfs/dbraw/zinc/57/02/16/555570216.db2.gz KDBKYBISQMEGGF-OAHLLOKOSA-N 0 0 436.865 5.473 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(Cl)cc1Cl ZINC000000852094 555570776 /nfs/dbraw/zinc/57/07/76/555570776.db2.gz OXQNMSSMKTUZPG-SOFGYWHQSA-N 0 0 426.321 5.395 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Oc3ccccc3)c1)C1c3ccccc3C2c2ccccc21 ZINC000000853059 555570810 /nfs/dbraw/zinc/57/08/10/555570810.db2.gz FATARFJJBKFUSF-XQOSCOKLSA-N 0 0 443.502 5.876 50 0 IKAARN COc1ccc(Cl)cc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000856956 555571493 /nfs/dbraw/zinc/57/14/93/555571493.db2.gz ZLBGNIKDQYPBCP-INIZCTEOSA-N 0 0 449.765 6.236 50 0 IKAARN CCOc1ccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc32)cc1 ZINC000000857660 555571726 /nfs/dbraw/zinc/57/17/26/555571726.db2.gz SMZNYKDZIMNKJH-UHFFFAOYSA-N 0 0 439.515 5.965 50 0 IKAARN CCOc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1OC(=O)C1CCCCC1 ZINC000000861059 555571959 /nfs/dbraw/zinc/57/19/59/555571959.db2.gz SYDGPOBYZXAQQY-HSZRJFAPSA-N 0 0 443.543 6.198 50 0 IKAARN O=C(Cc1cc(Br)sc1Br)Nc1cccc(C(F)(F)F)c1 ZINC000001047530 555611418 /nfs/dbraw/zinc/61/14/18/555611418.db2.gz OYMIBNFJGDBLQB-UHFFFAOYSA-N 0 0 443.082 5.473 50 0 IKAARN CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000000861571 555572589 /nfs/dbraw/zinc/57/25/89/555572589.db2.gz YUJZEMLVQGXQLQ-XMMPIXPASA-N 0 0 434.536 5.017 50 0 IKAARN O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000863677 555573170 /nfs/dbraw/zinc/57/31/70/555573170.db2.gz FBJXWUQYKWOIGC-UHFFFAOYSA-N 0 0 430.700 5.133 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000009451702 555573249 /nfs/dbraw/zinc/57/32/49/555573249.db2.gz STMSUXKVJZBVPI-MRXNPFEDSA-N 0 0 431.517 5.050 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000865667 555573510 /nfs/dbraw/zinc/57/35/10/555573510.db2.gz SRBPZOCFAMXIDZ-SJLPKXTDSA-N 0 0 434.849 5.127 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865995 555573857 /nfs/dbraw/zinc/57/38/57/555573857.db2.gz KYXZGKZXZOKMIX-NHCUHLMSSA-N 0 0 436.437 5.949 50 0 IKAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCCC1 ZINC000000866827 555573934 /nfs/dbraw/zinc/57/39/34/555573934.db2.gz XWUVHEDWUZMMRZ-HOCLYGCPSA-N 0 0 447.288 5.476 50 0 IKAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCC1 ZINC000000866838 555574054 /nfs/dbraw/zinc/57/40/54/555574054.db2.gz YWHZTUSPIXUJAW-HIFRSBDPSA-N 0 0 433.261 5.086 50 0 IKAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCC1 ZINC000000866840 555574337 /nfs/dbraw/zinc/57/43/37/555574337.db2.gz YWHZTUSPIXUJAW-UKRRQHHQSA-N 0 0 433.261 5.086 50 0 IKAARN O=C(NC1CCCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000870077 555574928 /nfs/dbraw/zinc/57/49/28/555574928.db2.gz ACMBBOYDWXJBCP-UHFFFAOYSA-N 0 0 448.588 5.145 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000000871695 555575523 /nfs/dbraw/zinc/57/55/23/555575523.db2.gz ODTNWLKARKJDBK-HSZRJFAPSA-N 0 0 427.504 5.123 50 0 IKAARN Cc1nnc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1-c1ccc(C)cc1 ZINC000009469539 555576214 /nfs/dbraw/zinc/57/62/14/555576214.db2.gz PSUIXKWENIJXIY-UHFFFAOYSA-N 0 0 440.878 5.287 50 0 IKAARN Cc1cccc(C)c1NCc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 ZINC000000877821 555576460 /nfs/dbraw/zinc/57/64/60/555576460.db2.gz XAKDIAGBIHUITO-UHFFFAOYSA-N 0 0 428.561 5.471 50 0 IKAARN O=C(CSc1nnc(COc2cccc3ccccc32)o1)Nc1ccccc1Cl ZINC000000877794 555576537 /nfs/dbraw/zinc/57/65/37/555576537.db2.gz VVYBBGYFZFHVAO-UHFFFAOYSA-N 0 0 425.897 5.186 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1C ZINC000000881458 555577463 /nfs/dbraw/zinc/57/74/63/555577463.db2.gz XPAPOCGKSZPANC-UHFFFAOYSA-N 0 0 437.952 5.336 50 0 IKAARN CCc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccc(OC)c2)C[C@@H]3C(F)(F)F)cc1 ZINC000000884024 555578348 /nfs/dbraw/zinc/57/83/48/555578348.db2.gz BNAOLJOYKDZGIQ-VQTJNVASSA-N 0 0 444.457 5.367 50 0 IKAARN CCc1ccccc1NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F ZINC000000883997 555578391 /nfs/dbraw/zinc/57/83/91/555578391.db2.gz QAHWGGZMPUUDOP-UXHICEINSA-N 0 0 444.457 5.367 50 0 IKAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 ZINC000000884347 555578718 /nfs/dbraw/zinc/57/87/18/555578718.db2.gz FUKUFBFQXBGCME-OALUTQOASA-N 0 0 430.430 5.113 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc(Br)o1 ZINC000000885905 555578975 /nfs/dbraw/zinc/57/89/75/555578975.db2.gz CXUVEXVCUWHDPE-UHFFFAOYSA-N 0 0 433.261 6.256 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccc(Br)cc1 ZINC000000888124 555579302 /nfs/dbraw/zinc/57/93/02/555579302.db2.gz NPXVILDKMVYMCG-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)c(Br)c1 ZINC000000888475 555579479 /nfs/dbraw/zinc/57/94/79/555579479.db2.gz VRIGVUQRYOSVSA-UHFFFAOYSA-N 0 0 448.411 5.372 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000900858 555581158 /nfs/dbraw/zinc/58/11/58/555581158.db2.gz OXRAUTPDGIFVRT-CQSZACIVSA-N 0 0 445.466 5.484 50 0 IKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1c(Cl)cccc1Cl ZINC000000901753 555581344 /nfs/dbraw/zinc/58/13/44/555581344.db2.gz QAAQRANFGZNTQK-UHFFFAOYSA-N 0 0 448.253 5.793 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000000901585 555581444 /nfs/dbraw/zinc/58/14/44/555581444.db2.gz OMBCVDRZYSXQIH-UHFFFAOYSA-N 0 0 437.512 6.078 50 0 IKAARN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)CSc1nc(-c3ccco3)cc(C(F)(F)F)n1)C2 ZINC000000902010 555581675 /nfs/dbraw/zinc/58/16/75/555581675.db2.gz VVZPDOBDYXKVPZ-RBZFPXEDSA-N 0 0 439.503 5.275 50 0 IKAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)c1cccs1 ZINC000000921686 555584666 /nfs/dbraw/zinc/58/46/66/555584666.db2.gz QICLSJDSZSDBLR-UHFFFAOYSA-N 0 0 426.541 6.079 50 0 IKAARN COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc(OC)c1OC ZINC000000921027 555584680 /nfs/dbraw/zinc/58/46/80/555584680.db2.gz LFILWQKAZUYNRL-UHFFFAOYSA-N 0 0 434.517 5.550 50 0 IKAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000935966 555585953 /nfs/dbraw/zinc/58/59/53/555585953.db2.gz VPQRLBLROAFLSB-UHFFFAOYSA-N 0 0 430.316 5.071 50 0 IKAARN CCOC(=O)C1=C(NC(=O)c2ccco2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 ZINC000000939936 555586762 /nfs/dbraw/zinc/58/67/62/555586762.db2.gz IZEHNYOWGMVBQM-JOCHJYFZSA-N 0 0 439.467 5.162 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(SC(F)F)cc1 ZINC000000943636 555587317 /nfs/dbraw/zinc/58/73/17/555587317.db2.gz CZRSYIYBSYRXOG-AWEZNQCLSA-N 0 0 448.438 5.462 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 ZINC000000944091 555587565 /nfs/dbraw/zinc/58/75/65/555587565.db2.gz RHMXJUBCCDYJFJ-MRXNPFEDSA-N 0 0 427.566 5.783 50 0 IKAARN CC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc34)c2C1 ZINC000000944108 555587612 /nfs/dbraw/zinc/58/76/12/555587612.db2.gz TWFRQDZRWMFNEJ-QGZVFWFLSA-N 0 0 433.573 6.538 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 ZINC000000944082 555587676 /nfs/dbraw/zinc/58/76/76/555587676.db2.gz VZBURBUMTIMURA-UHFFFAOYSA-N 0 0 425.550 5.686 50 0 IKAARN COc1cc(C(=O)O[C@H](c2ccccc2)c2nccc3ccccc32)cc(OC)c1OC ZINC000000944831 555587970 /nfs/dbraw/zinc/58/79/70/555587970.db2.gz AJJHWJZAMWDEKK-XMMPIXPASA-N 0 0 429.472 5.207 50 0 IKAARN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000000947456 555588204 /nfs/dbraw/zinc/58/82/04/555588204.db2.gz AAIKFHINQMYWMT-LFYBBSHMSA-N 0 0 429.339 5.623 50 0 IKAARN O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1)c1ccco1 ZINC000000946458 555588212 /nfs/dbraw/zinc/58/82/12/555588212.db2.gz HNMJRVNTKFYJEI-UHFFFAOYSA-N 0 0 427.206 5.160 50 0 biogenic,in-vitro IKAARN Cc1ccc(C)c(Oc2coc3cc(O[C@@H](C)C(=O)OCc4ccccc4)ccc3c2=O)c1 ZINC000000948973 555588524 /nfs/dbraw/zinc/58/85/24/555588524.db2.gz ABRYGXOYANLJLB-IBGZPJMESA-N 0 0 444.483 5.713 50 0 IKAARN Cc1sc2ncn(CC(=O)Nc3ccc(Cl)cc3C)c(=O)c2c1-c1ccc(F)cc1 ZINC000000948004 555588559 /nfs/dbraw/zinc/58/85/59/555588559.db2.gz WWNHAJJJCICZRP-UHFFFAOYSA-N 0 0 441.915 5.173 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccccc4Cl)ccc32)cc1 ZINC000000950434 555588861 /nfs/dbraw/zinc/58/88/61/555588861.db2.gz SXVKFSBNLFAYBR-UHFFFAOYSA-N 0 0 435.863 5.140 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)C)cc2)ccc1OCc1ccccc1 ZINC000000951284 555589100 /nfs/dbraw/zinc/58/91/00/555589100.db2.gz QYOZNJQQRDTAFI-MHWRWJLKSA-N 0 0 445.515 5.491 50 0 IKAARN CCc1ccc(Oc2coc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3c2=O)cc1 ZINC000000952108 555589369 /nfs/dbraw/zinc/58/93/69/555589369.db2.gz QOXYGLLNVGFXJW-UHFFFAOYSA-N 0 0 443.499 5.782 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cccc(Cl)c4Cl)c23)C1 ZINC000000952591 555589406 /nfs/dbraw/zinc/58/94/06/555589406.db2.gz ZVIGNRBIWMFTNG-JTQLQIEISA-N 0 0 438.405 5.854 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000955518 555589994 /nfs/dbraw/zinc/58/99/94/555589994.db2.gz RZWOYSAZZQYYQQ-UHFFFAOYSA-N 0 0 432.373 5.114 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3o2)cc1 ZINC000000955681 555590232 /nfs/dbraw/zinc/59/02/32/555590232.db2.gz BQMDGCLRFCAGTO-UHFFFAOYSA-N 0 0 429.472 5.103 50 0 biogenic IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000000956106 555590291 /nfs/dbraw/zinc/59/02/91/555590291.db2.gz CNVFXKDRBVUCDZ-UHFFFAOYSA-N 0 0 448.538 6.342 50 0 IKAARN CCc1ccccc1NC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000958134 555590620 /nfs/dbraw/zinc/59/06/20/555590620.db2.gz NAZVPYMHFHKCBJ-UHFFFAOYSA-N 0 0 449.890 5.819 50 0 IKAARN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccco4)cc3oc2C(F)(F)F)cc1 ZINC000000959603 555590949 /nfs/dbraw/zinc/59/09/49/555590949.db2.gz QGJXQZYQPHQPGL-UHFFFAOYSA-N 0 0 430.334 5.725 50 0 IKAARN Cc1cc(NC(=O)c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2N)CCCC4)no1 ZINC000000968938 555591198 /nfs/dbraw/zinc/59/11/98/555591198.db2.gz OHVCPZABGVEREV-UHFFFAOYSA-N 0 0 438.940 5.626 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000000970039 555591221 /nfs/dbraw/zinc/59/12/21/555591221.db2.gz BIBITSJVTPEPOO-UHFFFAOYSA-N 0 0 427.209 6.452 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1sc2cc(Br)ccc2c1Cl ZINC000000973218 555591845 /nfs/dbraw/zinc/59/18/45/555591845.db2.gz RCIJNLYXFQKAMR-UHFFFAOYSA-N 0 0 445.563 6.332 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(C)nc2ccccc21)c1ccccc1 ZINC000009588180 555591986 /nfs/dbraw/zinc/59/19/86/555591986.db2.gz LFSQQICLCGNEGS-VWLOTQADSA-N 0 0 440.499 5.479 50 0 IKAARN O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000977635 555592529 /nfs/dbraw/zinc/59/25/29/555592529.db2.gz KSJXTDCZWQIZFO-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cncc(Br)c1 ZINC000000977564 555592611 /nfs/dbraw/zinc/59/26/11/555592611.db2.gz SGZBYWOMKMXBIT-UHFFFAOYSA-N 0 0 444.741 6.027 50 0 IKAARN CCOC(=O)c1c2ccc(Br)c(OC)c2sc1NC(=O)c1ccccc1 ZINC000000978606 555592793 /nfs/dbraw/zinc/59/27/93/555592793.db2.gz NKUGZUVWRPMVQY-UHFFFAOYSA-N 0 0 434.311 5.101 50 0 IKAARN Clc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2cccs2)cc1Cl ZINC000000978376 555592855 /nfs/dbraw/zinc/59/28/55/555592855.db2.gz HDSDOZUNEZZWGS-UHFFFAOYSA-N 0 0 439.331 5.550 50 0 IKAARN O=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000000980353 555593132 /nfs/dbraw/zinc/59/31/32/555593132.db2.gz XHNLXBMPFPDJIY-UHFFFAOYSA-N 0 0 428.492 6.162 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000982728 555593943 /nfs/dbraw/zinc/59/39/43/555593943.db2.gz ZNTIFCZYTDMHHM-SANMLTNESA-N 0 0 430.573 5.584 50 0 IKAARN C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)c5ccc(Cl)cc5)nnc4c23)C1 ZINC000000985954 555594387 /nfs/dbraw/zinc/59/43/87/555594387.db2.gz XBMMFPJWTZQLNR-LLVKDONJSA-N 0 0 428.970 5.092 50 0 IKAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc2sc3ccccc3n12 ZINC000000986285 555594847 /nfs/dbraw/zinc/59/48/47/555594847.db2.gz FWXYROXZXKNSPC-UHFFFAOYSA-N 0 0 434.590 5.573 50 0 IKAARN Cc1ccc(Nc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)cc1 ZINC000000986069 555594883 /nfs/dbraw/zinc/59/48/83/555594883.db2.gz MOWQWOUMWHUTMD-UHFFFAOYSA-N 0 0 435.574 5.971 50 0 IKAARN CC1(C)Cc2nc3sc4c(ncnc4SCc4ccc5c(c4)OCO5)c3cc2CO1 ZINC000000987280 555595026 /nfs/dbraw/zinc/59/50/26/555595026.db2.gz HQQRDSRLPHFPPC-UHFFFAOYSA-N 0 0 437.546 5.112 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(Br)ccc1Cl ZINC000000989623 555595555 /nfs/dbraw/zinc/59/55/55/555595555.db2.gz IJPZTLHILGYTQH-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc2ccccc2c1 ZINC000000989858 555595602 /nfs/dbraw/zinc/59/56/02/555595602.db2.gz MPTQJWZZVCCVEQ-MHZLTWQESA-N 0 0 441.914 5.501 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000000989644 555595614 /nfs/dbraw/zinc/59/56/14/555595614.db2.gz FLBXNECNRMPJRZ-UHFFFAOYSA-N 0 0 442.700 5.866 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(Br)o4)c3)oc2c(C)c1 ZINC000000989965 555595666 /nfs/dbraw/zinc/59/56/66/555595666.db2.gz FPSGTDVZJHUNGJ-UHFFFAOYSA-N 0 0 425.282 6.028 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000000990478 555595899 /nfs/dbraw/zinc/59/58/99/555595899.db2.gz BNKYIZINMJHOGB-UHFFFAOYSA-N 0 0 442.298 5.594 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000000990835 555596252 /nfs/dbraw/zinc/59/62/52/555596252.db2.gz BTKRYYFIAWLQBE-UHFFFAOYSA-N 0 0 426.472 5.339 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3cc(C)ccc3n2)cc1 ZINC000000991047 555596324 /nfs/dbraw/zinc/59/63/24/555596324.db2.gz NORQRIMVEQLNFG-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000991228 555596581 /nfs/dbraw/zinc/59/65/81/555596581.db2.gz ILFRPCBHPDLKIY-UHFFFAOYSA-N 0 0 427.456 5.269 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1 ZINC000000991941 555596874 /nfs/dbraw/zinc/59/68/74/555596874.db2.gz YYGHDFIKAKVWFF-UHFFFAOYSA-N 0 0 432.501 5.391 50 0 IKAARN COc1cccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000000992480 555596918 /nfs/dbraw/zinc/59/69/18/555596918.db2.gz BSGRYGKGTTWVNW-OAHLLOKOSA-N 0 0 437.879 5.029 50 0 IKAARN COc1cccc(C(=O)COc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000000993031 555597158 /nfs/dbraw/zinc/59/71/58/555597158.db2.gz VSOBIGLHWVSZOB-UHFFFAOYSA-N 0 0 430.287 5.516 50 0 IKAARN O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccccc1 ZINC000000992838 555597164 /nfs/dbraw/zinc/59/71/64/555597164.db2.gz PBVWXXLGYJUWBZ-UHFFFAOYSA-N 0 0 425.278 5.068 50 0 IKAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1 ZINC000000993250 555597438 /nfs/dbraw/zinc/59/74/38/555597438.db2.gz SOMRHNSVELZKAF-FQEVSTJZSA-N 0 0 442.559 6.076 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc(C)nc4ccccc43)cc2)cc1 ZINC000000993163 555597456 /nfs/dbraw/zinc/59/74/56/555597456.db2.gz DRKKUKNPXHTVBK-UHFFFAOYSA-N 0 0 439.467 5.111 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 ZINC000000994504 555598023 /nfs/dbraw/zinc/59/80/23/555598023.db2.gz CNAHVZMKFXIPHN-UHFFFAOYSA-N 0 0 426.472 5.324 50 0 aggregator IKAARN COc1cccc(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c3ccccc3n2)c1 ZINC000000995194 555598296 /nfs/dbraw/zinc/59/82/96/555598296.db2.gz SEZCMZBBSOSRSE-UHFFFAOYSA-N 0 0 448.906 5.833 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3C)nc3ccccc32)cc1OC ZINC000000995087 555598315 /nfs/dbraw/zinc/59/83/15/555598315.db2.gz UACQVAGHUAIZNV-UHFFFAOYSA-N 0 0 426.516 5.200 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1OC ZINC000000995179 555598319 /nfs/dbraw/zinc/59/83/19/555598319.db2.gz RXNCSGNDQSSCAZ-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3OC)c3ccccc3n2)c(OC)c1 ZINC000000995072 555598375 /nfs/dbraw/zinc/59/83/75/555598375.db2.gz DBQOULVBQOHKDA-UHFFFAOYSA-N 0 0 428.488 5.488 50 0 IKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc2c(Br)cccc12 ZINC000000996065 555598647 /nfs/dbraw/zinc/59/86/47/555598647.db2.gz HRMWRTDRIXDQCI-UHFFFAOYSA-N 0 0 444.288 6.058 50 0 IKAARN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 ZINC000000997069 555598975 /nfs/dbraw/zinc/59/89/75/555598975.db2.gz SVYXDRGWWJDNEV-UHFFFAOYSA-N 0 0 430.548 5.871 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000000997079 555599023 /nfs/dbraw/zinc/59/90/23/555599023.db2.gz DECTYGFZUIEOKX-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000997388 555599036 /nfs/dbraw/zinc/59/90/36/555599036.db2.gz WTRKWNJPRQRXHZ-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(N(C)C)cc3)c3ccccc3n2)c(OC)c1 ZINC000000998171 555599554 /nfs/dbraw/zinc/59/95/54/555599554.db2.gz UEARVKMKZZNAJL-UHFFFAOYSA-N 0 0 427.504 5.237 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2NC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000000998655 555599611 /nfs/dbraw/zinc/59/96/11/555599611.db2.gz USZWQJDYHCWDIV-CZCYGEDCSA-N 0 0 442.515 5.316 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000000998001 555599642 /nfs/dbraw/zinc/59/96/42/555599642.db2.gz YLYASNRRZWEABM-UHFFFAOYSA-N 0 0 435.365 6.285 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 ZINC000000999472 555599959 /nfs/dbraw/zinc/59/99/59/555599959.db2.gz DKNPZRUGYWSHSX-PNHOKKKMSA-N 0 0 444.457 5.157 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001003818 555600839 /nfs/dbraw/zinc/60/08/39/555600839.db2.gz BLPNQRQIRMZGNI-UHFFFAOYSA-N 0 0 429.929 5.199 50 0 IKAARN NC(=O)c1ccccc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000001008341 555601335 /nfs/dbraw/zinc/60/13/35/555601335.db2.gz LADUQDRMGFSQSW-UHFFFAOYSA-N 0 0 444.494 5.315 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000001008177 555601357 /nfs/dbraw/zinc/60/13/57/555601357.db2.gz LKOXXXNPZCEGCB-JCMHNJIXSA-N 0 0 444.512 5.462 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000001011448 555602012 /nfs/dbraw/zinc/60/20/12/555602012.db2.gz QOYHBQXGVHZFOK-UHFFFAOYSA-N 0 0 430.913 5.087 50 0 IKAARN O=C1N[C@@H](c2ccccc2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000001017335 555602878 /nfs/dbraw/zinc/60/28/78/555602878.db2.gz OGKSHIRFSHCNRY-KRWDZBQOSA-N 0 0 431.464 5.898 50 0 IKAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 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Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2cccnc2)o1 ZINC000001052799 555613516 /nfs/dbraw/zinc/61/35/16/555613516.db2.gz FIJLDHYIMVJRBR-UHFFFAOYSA-N 0 0 439.924 5.143 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccccc1Cl)c1ccc(F)cc1 ZINC000001052886 555613558 /nfs/dbraw/zinc/61/35/58/555613558.db2.gz KEGNYLCVIRZMIE-UHFFFAOYSA-N 0 0 432.860 5.172 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCc1ccco1)c1ccc(F)cc1 ZINC000001052950 555613917 /nfs/dbraw/zinc/61/39/17/555613917.db2.gz VZDGVROCWISVFX-UHFFFAOYSA-N 0 0 432.860 5.172 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc5c(c4)OCO5)c23)cc1 ZINC000001058092 555615138 /nfs/dbraw/zinc/61/51/38/555615138.db2.gz VDESRSHSMOAJDH-UHFFFAOYSA-N 0 0 435.530 5.126 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000001061715 555616391 /nfs/dbraw/zinc/61/63/91/555616391.db2.gz XNNGEGFUCHDQSH-XWYWGPMTSA-N 0 0 427.931 5.393 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc2ccccc21 ZINC000001062629 555616992 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CC(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)C(C)C)c(NC(=O)C(C)C)c2)cc1 ZINC000001064813 555617784 /nfs/dbraw/zinc/61/77/84/555617784.db2.gz LHWIXDGAQCIIQV-UHFFFAOYSA-N 0 0 425.529 5.262 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1c[nH]c2ccccc21 ZINC000001065046 555617798 /nfs/dbraw/zinc/61/77/98/555617798.db2.gz RJHHEWCAFOBMEC-UHFFFAOYSA-N 0 0 445.470 5.196 50 0 IKAARN CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000001065620 555618255 /nfs/dbraw/zinc/61/82/55/555618255.db2.gz VHMCGHJPRSZIPE-UHFFFAOYSA-N 0 0 440.590 5.089 50 0 IKAARN CCCC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000001067132 555618967 /nfs/dbraw/zinc/61/89/67/555618967.db2.gz UEPIQYAAVNWGIX-UHFFFAOYSA-N 0 0 443.758 6.020 50 0 IKAARN COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1OC ZINC000001067606 555619269 /nfs/dbraw/zinc/61/92/69/555619269.db2.gz IAOIOLONEMDSPK-UHFFFAOYSA-N 0 0 438.487 5.152 50 0 IKAARN O=S(=O)(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000001067609 555619374 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Cc1cc(C)cc(NC(=O)c2ccccc2OCC(=O)c2ccc(Br)cc2)c1 ZINC000001108232 555629886 /nfs/dbraw/zinc/62/98/86/555629886.db2.gz BAUYVGROQSHGLF-UHFFFAOYSA-N 0 0 438.321 5.580 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c(C)c1 ZINC000001108660 555630162 /nfs/dbraw/zinc/63/01/62/555630162.db2.gz KRHGWYGCZBYEID-UHFFFAOYSA-N 0 0 436.924 5.287 50 0 IKAARN CCN(C(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O)c1ccccc1 ZINC000001109237 555630510 /nfs/dbraw/zinc/63/05/10/555630510.db2.gz OJQOMCGONXIFPE-UHFFFAOYSA-N 0 0 448.950 5.313 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(=O)c2ccco2)o1 ZINC000001109320 555630791 /nfs/dbraw/zinc/63/07/91/555630791.db2.gz DIIPVKMKYVOJEH-UHFFFAOYSA-N 0 0 437.499 5.876 50 0 IKAARN COc1ccc2cc(-c3nn(-c4ccccc4)cc3C(=O)Nc3ccccc3OC)ccc2c1 ZINC000001109513 555630815 /nfs/dbraw/zinc/63/08/15/555630815.db2.gz UFLTZUABCGMJTA-UHFFFAOYSA-N 0 0 449.510 5.962 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccc(F)cc3)sc2-c2ccc(OC)cc2)cc1 ZINC000001110416 555631109 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COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000001112720 555632643 /nfs/dbraw/zinc/63/26/43/555632643.db2.gz MNRXPMRJJUXLJQ-UHFFFAOYSA-N 0 0 448.500 5.019 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000001113959 555633148 /nfs/dbraw/zinc/63/31/48/555633148.db2.gz DBOPKFOROZTHRA-UHFFFAOYSA-N 0 0 445.302 5.272 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001113619 555633221 /nfs/dbraw/zinc/63/32/21/555633221.db2.gz OQTWEIYTIBYLKC-UHFFFAOYSA-N 0 0 429.501 5.120 50 0 IKAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000001114614 555633658 /nfs/dbraw/zinc/63/36/58/555633658.db2.gz LMVRQMAUFNOINN-UHFFFAOYSA-N 0 0 449.507 6.617 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C ZINC000001115020 555633665 /nfs/dbraw/zinc/63/36/65/555633665.db2.gz UDIBRMWRXVHMLK-UHFFFAOYSA-N 0 0 441.771 5.482 50 0 IKAARN O=C(/C=C/c1cccc(Cl)c1)NCC1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000001115400 555633946 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CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccnc4)cc3)nc2c1 ZINC000001117739 555635600 /nfs/dbraw/zinc/63/56/00/555635600.db2.gz PAOZJMMIAKHOML-OAHLLOKOSA-N 0 0 430.533 5.530 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)s1 ZINC000001118392 555635741 /nfs/dbraw/zinc/63/57/41/555635741.db2.gz AGGVYOSACOEWTB-SANMLTNESA-N 0 0 427.525 5.217 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1C ZINC000001119307 555636358 /nfs/dbraw/zinc/63/63/58/555636358.db2.gz YGGROLVZLMERBC-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000001119083 555636400 /nfs/dbraw/zinc/63/64/00/555636400.db2.gz KIVRZJKJJHBHOG-UHFFFAOYSA-N 0 0 440.128 5.645 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccc2)cc1 ZINC000001119497 555636657 /nfs/dbraw/zinc/63/66/57/555636657.db2.gz ZJWGWDXFLSCKIY-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1cccc2ccccc21 ZINC000001122656 555638855 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O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001130628 555644172 /nfs/dbraw/zinc/64/41/72/555644172.db2.gz ZPYOFBQIIIKKQM-CQSZACIVSA-N 0 0 435.254 5.454 50 0 IKAARN Cc1nc(C)c(NC(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000001130943 555644503 /nfs/dbraw/zinc/64/45/03/555644503.db2.gz HQWMISMKJIUSCV-UHFFFAOYSA-N 0 0 444.322 6.293 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000001131116 555644534 /nfs/dbraw/zinc/64/45/34/555644534.db2.gz WYIJZAXDZVKRLO-JXFKEZNVSA-N 0 0 433.581 5.309 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3Cl)n2)cc1Br ZINC000001132825 555645478 /nfs/dbraw/zinc/64/54/78/555645478.db2.gz IRYDEQCSVFYRNG-UHFFFAOYSA-N 0 0 437.746 5.795 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccccc2Cl)cc1 ZINC000001133683 555646073 /nfs/dbraw/zinc/64/60/73/555646073.db2.gz DRRPXISGSIIIFJ-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(-c2sc(C(=O)Nc3ccccc3)cc2CC(=O)Nc2ccccc2)cc1 ZINC000001135674 555646803 /nfs/dbraw/zinc/64/68/03/555646803.db2.gz DALIVMUEGOULGL-UHFFFAOYSA-N 0 0 426.541 6.157 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1 ZINC000001136843 555647148 /nfs/dbraw/zinc/64/71/48/555647148.db2.gz JFKISDJZUAXMRP-UHFFFAOYSA-N 0 0 426.310 5.679 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000001137272 555647433 /nfs/dbraw/zinc/64/74/33/555647433.db2.gz HXEZGKUKKPOJRI-UHFFFAOYSA-N 0 0 442.968 5.121 50 0 IKAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000001137454 555647704 /nfs/dbraw/zinc/64/77/04/555647704.db2.gz VJJMCXZFWZIQHU-LSSDNNNWSA-N 0 0 443.930 5.093 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001138752 555648419 /nfs/dbraw/zinc/64/84/19/555648419.db2.gz APABIOATXROQGJ-UHFFFAOYSA-N 0 0 427.504 5.955 50 0 IKAARN CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)c1 ZINC000001138877 555648455 /nfs/dbraw/zinc/64/84/55/555648455.db2.gz RKCCHGIGMSDWCL-UHFFFAOYSA-N 0 0 436.899 5.042 50 0 IKAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)sc2c1 ZINC000001139082 555648869 /nfs/dbraw/zinc/64/88/69/555648869.db2.gz WEHKQEVLZYKGNU-UHFFFAOYSA-N 0 0 440.377 5.682 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000001139431 555649074 /nfs/dbraw/zinc/64/90/74/555649074.db2.gz YINSMMUNAJIPCZ-UHFFFAOYSA-N 0 0 435.380 5.639 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3c(C)cc(C)cc23)c1 ZINC000001140752 555649698 /nfs/dbraw/zinc/64/96/98/555649698.db2.gz SHKDILSWSQDHPS-UHFFFAOYSA-N 0 0 430.479 5.927 50 0 IKAARN O=C(Nc1ccc(Br)c2cccnc12)c1ccc(COc2ccccc2)cc1 ZINC000001141214 555650086 /nfs/dbraw/zinc/65/00/86/555650086.db2.gz WSVAFCXSYSQVSU-UHFFFAOYSA-N 0 0 433.305 5.829 50 0 IKAARN CCOc1ccc2nc(SCC(=O)NCc3cccc(C(F)(F)F)c3)sc2c1 ZINC000001143158 555651286 /nfs/dbraw/zinc/65/12/86/555651286.db2.gz ZHCXHWQMKNLXAM-UHFFFAOYSA-N 0 0 426.485 5.122 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccco1 ZINC000001143631 555651484 /nfs/dbraw/zinc/65/14/84/555651484.db2.gz UWVYFUJRLHQOHV-UHFFFAOYSA-N 0 0 432.863 6.230 50 0 IKAARN Cc1cc(I)ccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000001143858 555651733 /nfs/dbraw/zinc/65/17/33/555651733.db2.gz JGPIRQSIEZECBP-UHFFFAOYSA-N 0 0 431.726 5.125 50 0 IKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2OC)c1 ZINC000001144519 555652421 /nfs/dbraw/zinc/65/24/21/555652421.db2.gz LXJIJWUEAMRMHG-UHFFFAOYSA-N 0 0 425.710 5.102 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000001145212 555652729 /nfs/dbraw/zinc/65/27/29/555652729.db2.gz BHKKUUIBLZJPTB-UHFFFAOYSA-N 0 0 434.952 5.520 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000001145476 555652975 /nfs/dbraw/zinc/65/29/75/555652975.db2.gz HUSPNBQZZGSGGE-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1cccc(C)c1 ZINC000001145680 555653206 /nfs/dbraw/zinc/65/32/06/555653206.db2.gz LVQZSZALYUWSDG-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN O=C(Nc1ccccc1)c1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000001146925 555654094 /nfs/dbraw/zinc/65/40/94/555654094.db2.gz NGTIDCIZXFRPSX-NRFANRHFSA-N 0 0 436.511 5.487 50 0 IKAARN CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(F)c3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000001146991 555654154 /nfs/dbraw/zinc/65/41/54/555654154.db2.gz PJADOIDMZBSRHC-UHFFFAOYSA-N 0 0 438.886 5.037 50 0 IKAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 ZINC000001147847 555654313 /nfs/dbraw/zinc/65/43/13/555654313.db2.gz UIEXCPORBVTMHB-UHFFFAOYSA-N 0 0 435.578 5.128 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1OCC ZINC000001147490 555654366 /nfs/dbraw/zinc/65/43/66/555654366.db2.gz SGAFBTDKNFEGAV-UHFFFAOYSA-N 0 0 446.547 5.017 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000001148662 555654903 /nfs/dbraw/zinc/65/49/03/555654903.db2.gz HCFKGMQVKKVTIT-UHFFFAOYSA-N 0 0 428.561 5.536 50 0 IKAARN CCOC(=O)COc1ccc2c(c1)c(C(=O)c1ccccc1)c(C)n2-c1ccc(OC)cc1 ZINC000001148905 555655254 /nfs/dbraw/zinc/65/52/54/555655254.db2.gz VYYJDGVXDOPLJX-UHFFFAOYSA-N 0 0 443.499 5.120 50 0 IKAARN Cc1ccc(SCC(=O)Nc2ccc(I)cc2C(C)C)cc1 ZINC000001148741 555655258 /nfs/dbraw/zinc/65/52/58/555655258.db2.gz OMYSVYOTWJSNSK-UHFFFAOYSA-N 0 0 425.335 5.454 50 0 IKAARN CCCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1cc(OC)ccc1OC ZINC000001148878 555655267 /nfs/dbraw/zinc/65/52/67/555655267.db2.gz YMNKYCXKPCHXNE-UHFFFAOYSA-N 0 0 426.538 5.609 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1C ZINC000001149116 555655284 /nfs/dbraw/zinc/65/52/84/555655284.db2.gz SLIIPDBUNZSCFO-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)cc1 ZINC000001150735 555656426 /nfs/dbraw/zinc/65/64/26/555656426.db2.gz VXWVOGVDWGIQCK-HNNXBMFYSA-N 0 0 431.311 5.104 50 0 aggregator IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H](C)Oc1ccccc1OC ZINC000001151854 555656658 /nfs/dbraw/zinc/65/66/58/555656658.db2.gz XDGNKTVCVVNEAO-MRXNPFEDSA-N 0 0 439.533 5.315 50 0 IKAARN O=C(C[C@@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000001152417 555656866 /nfs/dbraw/zinc/65/68/66/555656866.db2.gz BIVZAZHHURZDKO-SSEXGKCCSA-N 0 0 447.534 5.404 50 0 IKAARN Cc1c(NC(=O)c2cncc(Br)c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001153580 555657564 /nfs/dbraw/zinc/65/75/64/555657564.db2.gz FGRRGFPLZWNLSO-UHFFFAOYSA-N 0 0 442.700 5.866 50 0 IKAARN O=C(COc1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(F)cc1 ZINC000001154213 555658077 /nfs/dbraw/zinc/65/80/77/555658077.db2.gz OEBZVAOXRCFYCM-UHFFFAOYSA-N 0 0 444.245 5.195 50 0 IKAARN O=C(COc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000001154616 555658128 /nfs/dbraw/zinc/65/81/28/555658128.db2.gz MKWMXICFTYQMOM-UHFFFAOYSA-N 0 0 433.463 5.416 50 0 IKAARN O=C(COc1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccc(F)cc1 ZINC000001154262 555658176 /nfs/dbraw/zinc/65/81/76/555658176.db2.gz GWLQOVDNMAVZIJ-UHFFFAOYSA-N 0 0 444.245 5.195 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)cc1 ZINC000001155102 555658441 /nfs/dbraw/zinc/65/84/41/555658441.db2.gz RWUSEMPFHYISKH-UHFFFAOYSA-N 0 0 438.556 5.506 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000001156237 555658706 /nfs/dbraw/zinc/65/87/06/555658706.db2.gz ZKXJRGCVLZQYAC-QFIPXVFZSA-N 0 0 445.950 6.100 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000001156238 555658943 /nfs/dbraw/zinc/65/89/43/555658943.db2.gz ZKXJRGCVLZQYAC-JOCHJYFZSA-N 0 0 445.950 6.100 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000001157748 555659866 /nfs/dbraw/zinc/65/98/66/555659866.db2.gz AFQVQVPAWFSMJB-UHFFFAOYSA-N 0 0 431.673 6.064 50 0 IKAARN COc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccc(Cl)cc1 ZINC000001157472 555659881 /nfs/dbraw/zinc/65/98/81/555659881.db2.gz NGDGLRULZFVYFC-UHFFFAOYSA-N 0 0 446.728 5.942 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001157448 555659887 /nfs/dbraw/zinc/65/98/87/555659887.db2.gz PZMXFMOFDYVOET-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN CSc1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000001160437 555661503 /nfs/dbraw/zinc/66/15/03/555661503.db2.gz PQOSKHCGCHJBCY-MRXNPFEDSA-N 0 0 447.383 5.248 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O ZINC000001160612 555661526 /nfs/dbraw/zinc/66/15/26/555661526.db2.gz BDAQRWWMLKAPCK-UHFFFAOYSA-N 0 0 439.298 5.609 50 0 IKAARN O=C(NCc1ccco1)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000001161153 555661737 /nfs/dbraw/zinc/66/17/37/555661737.db2.gz KPDZWZNSSDDFHR-UHFFFAOYSA-N 0 0 432.530 6.002 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000001161473 555662019 /nfs/dbraw/zinc/66/20/19/555662019.db2.gz FBWRRAXHEOSPSV-UHFFFAOYSA-N 0 0 445.544 5.754 50 0 IKAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(C(C)C)c4ccccc34)C2=O)c1 ZINC000001161547 555662049 /nfs/dbraw/zinc/66/20/49/555662049.db2.gz AWRPJNODEVVLLK-MTJSOVHGSA-N 0 0 433.533 5.206 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000001161739 555662337 /nfs/dbraw/zinc/66/23/37/555662337.db2.gz PRZDUIGANZETJU-HHHXNRCGSA-N 0 0 447.962 5.513 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SC)n4c(SCc5ccccc5)nnc4c23)CO1 ZINC000001162730 555662595 /nfs/dbraw/zinc/66/25/95/555662595.db2.gz CUSBIKLEJDVCIU-OAQYLSRUSA-N 0 0 442.635 5.595 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SC)n4c(SCc5ccccc5)nnc4c23)CO1 ZINC000001162729 555662609 /nfs/dbraw/zinc/66/26/09/555662609.db2.gz CUSBIKLEJDVCIU-NRFANRHFSA-N 0 0 442.635 5.595 50 0 IKAARN O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000001163293 555662918 /nfs/dbraw/zinc/66/29/18/555662918.db2.gz IYRHCUDUXZCYLT-HSZRJFAPSA-N 0 0 432.317 5.089 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001165804 555663740 /nfs/dbraw/zinc/66/37/40/555663740.db2.gz SDIRBVFYNFNLFP-UHFFFAOYSA-N 0 0 436.316 5.038 50 0 IKAARN COc1cc2cc(C(=O)Nc3cccc(C(C)=O)c3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000001166388 555664059 /nfs/dbraw/zinc/66/40/59/555664059.db2.gz VOFKOKIATBVCOK-UHFFFAOYSA-N 0 0 439.511 6.287 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000001165873 555664066 /nfs/dbraw/zinc/66/40/66/555664066.db2.gz MEQULYINJNPZOH-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(C)c1 ZINC000001166605 555664344 /nfs/dbraw/zinc/66/43/44/555664344.db2.gz GTYPTFMFWUKRRR-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C1=O)c1ccccc1 ZINC000001167257 555664771 /nfs/dbraw/zinc/66/47/71/555664771.db2.gz WKNDAGFQCAGRFL-UCQKPKSFSA-N 0 0 447.487 5.324 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1Cl ZINC000001167465 555664788 /nfs/dbraw/zinc/66/47/88/555664788.db2.gz KILUMZKFURKAGV-UHFFFAOYSA-N 0 0 438.380 5.119 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc2c(c1)OCCO2 ZINC000001168358 555665308 /nfs/dbraw/zinc/66/53/08/555665308.db2.gz MLMWVFHCXJKKLA-UHFFFAOYSA-N 0 0 441.270 5.825 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 ZINC000001168195 555665315 /nfs/dbraw/zinc/66/53/15/555665315.db2.gz UGROLCMXIFZHQM-AYIBLLACSA-N 0 0 427.931 5.609 50 0 IKAARN COc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000001168582 555665331 /nfs/dbraw/zinc/66/53/31/555665331.db2.gz LWHOLWPETKAFKT-QFIPXVFZSA-N 0 0 428.517 5.343 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1C ZINC000001169138 555665606 /nfs/dbraw/zinc/66/56/06/555665606.db2.gz QCLMEBDGVSOOBN-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)o1 ZINC000001169079 555665674 /nfs/dbraw/zinc/66/56/74/555665674.db2.gz LXNZUTPFSAVJAO-HXUWFJFHSA-N 0 0 436.924 5.889 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000001169964 555665862 /nfs/dbraw/zinc/66/58/62/555665862.db2.gz KBBHGAXHILVWEM-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001170015 555665868 /nfs/dbraw/zinc/66/58/68/555665868.db2.gz KFPUIRYCAYCBAF-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000001169719 555665884 /nfs/dbraw/zinc/66/58/84/555665884.db2.gz ZMQJKRUROPCBGC-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc(Cl)c1 ZINC000001169764 555665948 /nfs/dbraw/zinc/66/59/48/555665948.db2.gz QDMLNBVDFNMWCD-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000001170135 555666171 /nfs/dbraw/zinc/66/61/71/555666171.db2.gz RYIPVRKZPGJRNF-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)NCc2ccccc2)C1 ZINC000001171043 555666500 /nfs/dbraw/zinc/66/65/00/555666500.db2.gz BPZXUPRMXGBYIY-KRWDZBQOSA-N 0 0 436.577 5.674 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cccc1-c1nc2ccccc2o1 ZINC000001171158 555666687 /nfs/dbraw/zinc/66/66/87/555666687.db2.gz GBOCSMSVFJFNBI-UHFFFAOYSA-N 0 0 445.544 5.717 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1cc(C)ccc1C)Nc1ccc(Br)cc1-2 ZINC000001171599 555667318 /nfs/dbraw/zinc/66/73/18/555667318.db2.gz OMOADTDCGCHWON-QGZVFWFLSA-N 0 0 429.343 5.143 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001172503 555667551 /nfs/dbraw/zinc/66/75/51/555667551.db2.gz GZVYFWCHKHCEBO-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(C)c2)cc1 ZINC000001172250 555667570 /nfs/dbraw/zinc/66/75/70/555667570.db2.gz QELHPYYFJNGIQR-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000001172754 555667869 /nfs/dbraw/zinc/66/78/69/555667869.db2.gz NQDHUILIFPFTIR-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000001172841 555667886 /nfs/dbraw/zinc/66/78/86/555667886.db2.gz KDOSIQNZFVCMPS-UHFFFAOYSA-N 0 0 444.491 5.730 50 0 IKAARN Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-c1nc2ccccc2[nH]1 ZINC000001172571 555667930 /nfs/dbraw/zinc/66/79/30/555667930.db2.gz ALDWHNBKLYDMPW-UHFFFAOYSA-N 0 0 440.728 6.207 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000001172847 555667942 /nfs/dbraw/zinc/66/79/42/555667942.db2.gz NEGXNVPPBSWSBR-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN CC1CCN(C(=O)c2c3c(sc2NC(=O)c2ccco2)C[C@H](C(C)(C)C)CC3)CC1 ZINC000001173064 555668137 /nfs/dbraw/zinc/66/81/37/555668137.db2.gz MOQNCQXNUAUYPN-MRXNPFEDSA-N 0 0 428.598 5.617 50 0 IKAARN CC1CCN(C(=O)c2c3c(sc2NC(=O)c2ccco2)C[C@@H](C(C)(C)C)CC3)CC1 ZINC000001173063 555668200 /nfs/dbraw/zinc/66/82/00/555668200.db2.gz MOQNCQXNUAUYPN-INIZCTEOSA-N 0 0 428.598 5.617 50 0 IKAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001174731 555669019 /nfs/dbraw/zinc/66/90/19/555669019.db2.gz NSDPYIQKHKBNOC-UHFFFAOYSA-N 0 0 436.360 5.393 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)nc2c1 ZINC000001174833 555669229 /nfs/dbraw/zinc/66/92/29/555669229.db2.gz VIGHWVVLTHAMOF-UHFFFAOYSA-N 0 0 441.512 5.930 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000001175193 555669258 /nfs/dbraw/zinc/66/92/58/555669258.db2.gz UHRCQJJGDGHBLO-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001175495 555669493 /nfs/dbraw/zinc/66/94/93/555669493.db2.gz GMCAPAIURGWSFF-UHFFFAOYSA-N 0 0 448.320 5.563 50 0 IKAARN O=C(Nc1cccc(NC(=O)C(Cl)(Cl)Cl)c1)c1ccc(Cl)cc1Cl ZINC000001176660 555670091 /nfs/dbraw/zinc/67/00/91/555670091.db2.gz OUYKZWUGDKGKAZ-UHFFFAOYSA-N 0 0 426.514 5.554 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cc5ccccc5o4)c3)oc2c1 ZINC000001177564 555670244 /nfs/dbraw/zinc/67/02/44/555670244.db2.gz HERXINDDZGSLNC-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000001177769 555670589 /nfs/dbraw/zinc/67/05/89/555670589.db2.gz ZOKVYYWWVQACJI-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl ZINC000001177745 555670593 /nfs/dbraw/zinc/67/05/93/555670593.db2.gz CAFUHTDWMTXHJZ-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1C ZINC000001178064 555670596 /nfs/dbraw/zinc/67/05/96/555670596.db2.gz SRNDPZPRWHYBMW-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000001177771 555670648 /nfs/dbraw/zinc/67/06/48/555670648.db2.gz UVXDNMRACXUVJP-UHFFFAOYSA-N 0 0 441.512 5.930 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)sc2c1CCCC2 ZINC000001178495 555670760 /nfs/dbraw/zinc/67/07/60/555670760.db2.gz WPZSMJDVVRYYKP-UHFFFAOYSA-N 0 0 430.595 5.054 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cc2ccccc2o1 ZINC000001178609 555670800 /nfs/dbraw/zinc/67/08/00/555670800.db2.gz CJMNIBVWZVBUME-UHFFFAOYSA-N 0 0 447.903 6.021 50 0 IKAARN CC(C)C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000001178523 555670810 /nfs/dbraw/zinc/67/08/10/555670810.db2.gz VHRUWOBLLFURFA-QHCPKHFHSA-N 0 0 428.488 5.128 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)nc2c1 ZINC000001178911 555670823 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Cc1c(Nc2nc3ccccc3nc2Nc2cccc(F)c2)c(=O)n(-c2ccccc2)n1C ZINC000001184105 555673382 /nfs/dbraw/zinc/67/33/82/555673382.db2.gz PAJFJCYZLDOQNV-UHFFFAOYSA-N 0 0 440.482 5.054 50 0 IKAARN Cc1[nH]nc(-c2ccc(OCc3ccccc3)c(C)c2O)c1-c1cnn(-c2ccccc2)c1 ZINC000001184831 555673386 /nfs/dbraw/zinc/67/33/86/555673386.db2.gz XWUAQWUKICAJFO-UHFFFAOYSA-N 0 0 436.515 5.831 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)C(Cl)(Cl)Cl ZINC000001184296 555673415 /nfs/dbraw/zinc/67/34/15/555673415.db2.gz QKCOGIKDKHFALB-UHFFFAOYSA-N 0 0 434.504 5.566 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000001185191 555673666 /nfs/dbraw/zinc/67/36/66/555673666.db2.gz ZQOVEKFVXSBBNM-XBXARRHUSA-N 0 0 435.694 6.144 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 ZINC000001185503 555673922 /nfs/dbraw/zinc/67/39/22/555673922.db2.gz YNDZCFOLKABJDT-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)C(Cl)(Cl)Cl ZINC000001185772 555673937 /nfs/dbraw/zinc/67/39/37/555673937.db2.gz JSTSGXOZFSSVBJ-UHFFFAOYSA-N 0 0 434.504 5.566 50 0 IKAARN Cc1cc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)ccc1Br ZINC000001185536 555673995 /nfs/dbraw/zinc/67/39/95/555673995.db2.gz WTCUDXBYMZYONE-UHFFFAOYSA-N 0 0 428.113 5.617 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(I)ccc1Cl ZINC000001186009 555674299 /nfs/dbraw/zinc/67/42/99/555674299.db2.gz HBIMNIQUSDPXKF-UHFFFAOYSA-N 0 0 426.468 5.504 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2)cc1Cl ZINC000001185929 555674349 /nfs/dbraw/zinc/67/43/49/555674349.db2.gz RATAPIOJBPLLQX-UHFFFAOYSA-N 0 0 441.716 5.397 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 ZINC000001185933 555674371 /nfs/dbraw/zinc/67/43/71/555674371.db2.gz TYGMUNMHGLJXEF-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(I)cc1 ZINC000001186069 555674407 /nfs/dbraw/zinc/67/44/07/555674407.db2.gz OOPYYIQTIDLHDU-UHFFFAOYSA-N 0 0 429.257 5.123 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1OC ZINC000001186623 555674629 /nfs/dbraw/zinc/67/46/29/555674629.db2.gz YJIMQNGUCNEKTA-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccs1 ZINC000001186643 555674691 /nfs/dbraw/zinc/67/46/91/555674691.db2.gz OGGRKXOZISCWQU-UHFFFAOYSA-N 0 0 429.979 5.805 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cc(C)ccc2C)cc1 ZINC000001187139 555674858 /nfs/dbraw/zinc/67/48/58/555674858.db2.gz XHWBCIDOBQRXJS-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)C1c3ccccc3C2c2ccccc21 ZINC000001191203 555675733 /nfs/dbraw/zinc/67/57/33/555675733.db2.gz OEPPHIJRYCFPFY-XQOSCOKLSA-N 0 0 427.503 5.750 50 0 IKAARN COc1ccc(NC(=O)Nc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 ZINC000001192833 555676078 /nfs/dbraw/zinc/67/60/78/555676078.db2.gz KVSKXRYRINVUAZ-UHFFFAOYSA-N 0 0 425.297 5.077 50 0 IKAARN CCOC(=O)c1c(C)n(C)c2c1cc(O)c1c2c(-c2ccccc2)nn1-c1ccccc1 ZINC000001196090 555676625 /nfs/dbraw/zinc/67/66/25/555676625.db2.gz OZFHHGNIMPSMIY-UHFFFAOYSA-N 0 0 425.488 5.375 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2-c2ccc(OC)cc2)cc1 ZINC000001197407 555677339 /nfs/dbraw/zinc/67/73/39/555677339.db2.gz OJAQIVHNMCXKJD-UHFFFAOYSA-N 0 0 446.528 5.755 50 0 IKAARN COc1ccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000001197075 555677381 /nfs/dbraw/zinc/67/73/81/555677381.db2.gz WXHIBLMLICWORQ-UHFFFAOYSA-N 0 0 429.545 5.161 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N[C@](C)(c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000001199675 555678223 /nfs/dbraw/zinc/67/82/23/555678223.db2.gz FHUGDUIGFGRWFS-SANMLTNESA-N 0 0 432.520 5.573 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4C)nc4ccccc43)CC2)c1C ZINC000001200402 555678247 /nfs/dbraw/zinc/67/82/47/555678247.db2.gz QFJARZOLRRJCFT-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)c1ccc(F)cc1 ZINC000001203101 555679400 /nfs/dbraw/zinc/67/94/00/555679400.db2.gz PNYSJNHFTHWQKW-UHFFFAOYSA-N 0 0 448.500 5.211 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000001204123 555679676 /nfs/dbraw/zinc/67/96/76/555679676.db2.gz NQJCXUZVNLXRIL-UHFFFAOYSA-N 0 0 441.256 5.414 50 0 IKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001205368 555680268 /nfs/dbraw/zinc/68/02/68/555680268.db2.gz DWHMLNZTCIPOAZ-NTEUORMPSA-N 0 0 435.936 5.119 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1)c1ccc(OC(F)F)cc1 ZINC000001207398 555680934 /nfs/dbraw/zinc/68/09/34/555680934.db2.gz YNVDDEODJKKLBP-UHFFFAOYSA-N 0 0 432.426 5.946 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000001206860 555680963 /nfs/dbraw/zinc/68/09/63/555680963.db2.gz RKUSJXMNUMJFAH-UHFFFAOYSA-N 0 0 442.968 5.121 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001207746 555681164 /nfs/dbraw/zinc/68/11/64/555681164.db2.gz FSKRQQLCSNVQAY-UHFFFAOYSA-N 0 0 430.891 6.006 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1 ZINC000001207935 555681206 /nfs/dbraw/zinc/68/12/06/555681206.db2.gz HUMJRUJOARRKTJ-UHFFFAOYSA-N 0 0 430.504 6.161 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1Cl ZINC000001208228 555681318 /nfs/dbraw/zinc/68/13/18/555681318.db2.gz OHGQPFVNLFKBOS-UHFFFAOYSA-N 0 0 443.286 6.077 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2cccc3ccccc32)cc1)c1ccc(Br)cc1 ZINC000001208594 555681601 /nfs/dbraw/zinc/68/16/01/555681601.db2.gz KVIMRYSIDONZCQ-UHFFFAOYSA-N 0 0 445.316 6.107 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000001213940 555683360 /nfs/dbraw/zinc/68/33/60/555683360.db2.gz PCWXCQCMCINWCC-UHFFFAOYSA-N 0 0 429.307 6.590 50 0 IKAARN COc1ccc(C(=O)C[C@@H](c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001214019 555683385 /nfs/dbraw/zinc/68/33/85/555683385.db2.gz ZPAAPISRIUKXLR-SANMLTNESA-N 0 0 436.573 5.915 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000001215470 555683626 /nfs/dbraw/zinc/68/36/26/555683626.db2.gz TVGPEOCEISAFSF-UHFFFAOYSA-N 0 0 429.259 5.525 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 ZINC000001216690 555684285 /nfs/dbraw/zinc/68/42/85/555684285.db2.gz NDKGLIUAPBBCIF-UHFFFAOYSA-N 0 0 441.325 5.844 50 0 IKAARN COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)c1ccco1 ZINC000001217624 555684497 /nfs/dbraw/zinc/68/44/97/555684497.db2.gz SYEBPOAIPOMFNX-UHFFFAOYSA-N 0 0 426.472 5.311 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)Nc1cccc(Cl)c1 ZINC000001217488 555684510 /nfs/dbraw/zinc/68/45/10/555684510.db2.gz YCDROOQRRCFSMV-UHFFFAOYSA-N 0 0 437.949 5.013 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 ZINC000001217901 555684798 /nfs/dbraw/zinc/68/47/98/555684798.db2.gz YQVFEEFBFDXPNT-LBPRGKRZSA-N 0 0 449.414 5.403 50 0 IKAARN CCOc1ccc(CSc2ncnc(SCc3ccc(OCC)cc3)c2N)cc1 ZINC000001218113 555684809 /nfs/dbraw/zinc/68/48/09/555684809.db2.gz WPPPKVSENOHDIG-UHFFFAOYSA-N 0 0 427.595 5.441 50 0 IKAARN CCN(CC)C(=S)Sc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1 ZINC000001218442 555684813 /nfs/dbraw/zinc/68/48/13/555684813.db2.gz RHFVGGSLTWZGCT-UHFFFAOYSA-N 0 0 438.626 5.694 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000001218279 555684856 /nfs/dbraw/zinc/68/48/56/555684856.db2.gz KWLJACLXVVLYJT-GFCCVEGCSA-N 0 0 435.387 5.013 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(Cl)c4)nc3c2)cc1Cl ZINC000001218612 555685072 /nfs/dbraw/zinc/68/50/72/555685072.db2.gz XURXTZMKWLJKRB-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1NC(=O)c1ccccc1 ZINC000001220002 555685324 /nfs/dbraw/zinc/68/53/24/555685324.db2.gz YQSTXNFLWBLBMH-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001220612 555685681 /nfs/dbraw/zinc/68/56/81/555685681.db2.gz MBBNGJWINMQMGS-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 ZINC000001220412 555685698 /nfs/dbraw/zinc/68/56/98/555685698.db2.gz ZULBAZPOFSSTNO-UHFFFAOYSA-N 0 0 448.526 5.508 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000001220323 555685702 /nfs/dbraw/zinc/68/57/02/555685702.db2.gz PKFUTZZIWOXMFQ-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN COc1ccc(NC(=O)Oc2c(Br)cc(C)cc2Br)cc1Cl ZINC000001226910 555686176 /nfs/dbraw/zinc/68/61/76/555686176.db2.gz JPLUNAJWCZSHOQ-UHFFFAOYSA-N 0 0 449.526 5.793 50 0 IKAARN Cc1ccccc1NC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000001228771 555686291 /nfs/dbraw/zinc/68/62/91/555686291.db2.gz IXRJRDZKYFVASP-QNGOZBTKSA-N 0 0 435.321 5.167 50 0 IKAARN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000001230463 555686481 /nfs/dbraw/zinc/68/64/81/555686481.db2.gz UOIXXTXXGKNTPT-UHFFFAOYSA-N 0 0 435.332 5.355 50 0 IKAARN COC(=O)[C@@H](NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1ccccc1 ZINC000001230016 555686520 /nfs/dbraw/zinc/68/65/20/555686520.db2.gz XTJIJVBLZUMMSF-QFIPXVFZSA-N 0 0 431.598 5.249 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1I ZINC000001231067 555686539 /nfs/dbraw/zinc/68/65/39/555686539.db2.gz WFGFPNQJKQVXTD-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN O=C(Nc1nnc(CSCc2ccc(F)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000001254858 555687725 /nfs/dbraw/zinc/68/77/25/555687725.db2.gz BTLGJAHCTONGOO-UHFFFAOYSA-N 0 0 443.356 6.061 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c32)CS1 ZINC000001252681 555687793 /nfs/dbraw/zinc/68/77/93/555687793.db2.gz FCSKZSYGSAYWPQ-UHFFFAOYSA-N 0 0 436.027 5.470 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c(C)c1 ZINC000001268753 555688725 /nfs/dbraw/zinc/68/87/25/555688725.db2.gz BZPMJERKPYWWTQ-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccco1 ZINC000001288666 555688970 /nfs/dbraw/zinc/68/89/70/555688970.db2.gz AVIBQVYHMOXFCZ-FQEVSTJZSA-N 0 0 431.879 5.139 50 0 IKAARN O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001297311 555689385 /nfs/dbraw/zinc/68/93/85/555689385.db2.gz SAYDSZBGVOAUDH-UHFFFAOYSA-N 0 0 427.485 5.881 50 0 IKAARN O=S(=O)(Cc1nc(CSc2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 ZINC000001324094 555690012 /nfs/dbraw/zinc/69/00/12/555690012.db2.gz QWWXSMJEOILGQV-UHFFFAOYSA-N 0 0 430.403 5.716 50 0 IKAARN Cc1nnc(SCC(=O)c2ccc(C)cc2)n1-c1ccc(OCc2ccccc2)cc1 ZINC000001324231 555690016 /nfs/dbraw/zinc/69/00/16/555690016.db2.gz GCJCFXIRKWILGY-UHFFFAOYSA-N 0 0 429.545 5.438 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nccc(-c3csc(-c4ccccc4)n3)n2)cc1 ZINC000001324115 555690030 /nfs/dbraw/zinc/69/00/30/555690030.db2.gz IMKHOJIDVCSNOR-UHFFFAOYSA-N 0 0 446.601 6.121 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc(Cl)c(Cl)c1 ZINC000009794040 555693122 /nfs/dbraw/zinc/69/31/22/555693122.db2.gz CABYPPWSQLXKDU-UHFFFAOYSA-N 0 0 429.712 5.584 50 0 IKAARN CCCc1oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OCC ZINC000001405406 555693735 /nfs/dbraw/zinc/69/37/35/555693735.db2.gz UUOUUGXSUXBVNY-UHFFFAOYSA-N 0 0 443.565 5.660 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1C ZINC000001408527 555693993 /nfs/dbraw/zinc/69/39/93/555693993.db2.gz IJFSRDBTGVTCCW-UHFFFAOYSA-N 0 0 436.924 5.287 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000001408521 555694002 /nfs/dbraw/zinc/69/40/02/555694002.db2.gz YQJKJHOVJHVIJD-UHFFFAOYSA-N 0 0 430.533 5.448 50 0 IKAARN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000001410969 555694346 /nfs/dbraw/zinc/69/43/46/555694346.db2.gz FORXLORKIVXNIN-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4cc5ccccc5o4)c3)oc2c1 ZINC000001413842 555694585 /nfs/dbraw/zinc/69/45/85/555694585.db2.gz OXQFLCVVXKQRNC-UHFFFAOYSA-N 0 0 427.485 5.676 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001413853 555694932 /nfs/dbraw/zinc/69/49/32/555694932.db2.gz STKRBAQSLUTORO-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN COc1cc(C(=O)Nc2ccc(F)c3ccccc23)c(Br)c(OC)c1OC ZINC000001423877 555695507 /nfs/dbraw/zinc/69/55/07/555695507.db2.gz NYSVBVXFFXKVDS-UHFFFAOYSA-N 0 0 434.261 5.020 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3cc4ccccc4o3)n2-c2ccccc2)cc1 ZINC000001426149 555695834 /nfs/dbraw/zinc/69/58/34/555695834.db2.gz LWUVGWOIYLQGCU-UHFFFAOYSA-N 0 0 441.512 5.664 50 0 IKAARN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000001425969 555695968 /nfs/dbraw/zinc/69/59/68/555695968.db2.gz XJMKPEZKBPJDOC-UHFFFAOYSA-N 0 0 448.588 5.465 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)Cc2ccccc2)cc1OC ZINC000001428804 555696217 /nfs/dbraw/zinc/69/62/17/555696217.db2.gz DGGJSYPMCVOZSZ-FQEVSTJZSA-N 0 0 443.465 5.479 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000001439878 555697396 /nfs/dbraw/zinc/69/73/96/555697396.db2.gz FFYNZUVUALAQAO-JWQCQUIFSA-N 0 0 445.515 5.106 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000001440322 555697401 /nfs/dbraw/zinc/69/74/01/555697401.db2.gz TWPAHYYDJKAXHT-UHFFFAOYSA-N 0 0 441.771 5.482 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccnc2)cc1Cl ZINC000001447558 555699251 /nfs/dbraw/zinc/69/92/51/555699251.db2.gz KOZDZVXAMFXTGA-UHFFFAOYSA-N 0 0 425.923 6.056 50 0 IKAARN COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000001447713 555699558 /nfs/dbraw/zinc/69/95/58/555699558.db2.gz QFXZPOJNAGPDPA-HNNXBMFYSA-N 0 0 437.341 5.297 50 0 IKAARN Cc1ccccc1C(=O)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001450864 555699572 /nfs/dbraw/zinc/69/95/72/555699572.db2.gz VBMAQNCPKARRBN-OAHLLOKOSA-N 0 0 437.548 5.263 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1c1ccccc1 ZINC000001448241 555699581 /nfs/dbraw/zinc/69/95/81/555699581.db2.gz KCPZALYPRVFHHM-KRWDZBQOSA-N 0 0 436.342 5.912 50 0 IKAARN COc1cccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000001456911 555699919 /nfs/dbraw/zinc/69/99/19/555699919.db2.gz HCYXKFROBYIVJF-UHFFFAOYSA-N 0 0 436.555 6.005 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cc(Cl)ccc32)c(C)c1 ZINC000001490477 555701768 /nfs/dbraw/zinc/70/17/68/555701768.db2.gz GYHCTFXIZSNGJT-DEOSSOPVSA-N 0 0 448.950 5.683 50 0 world IKAARN Brc1c(CCc2ccc3ccccc3c2Br)ccc2ccccc21 ZINC000001600702 555705344 /nfs/dbraw/zinc/70/53/44/555705344.db2.gz DBHZYJRVASQHPD-UHFFFAOYSA-N 0 0 440.178 7.303 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccccc2C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000001768558 555713070 /nfs/dbraw/zinc/71/30/70/555713070.db2.gz ZUURQLRCRKKHDJ-RVDMUPIBSA-N 0 0 435.951 6.703 50 0 IKAARN Cc1cccc(COc2ccc3c(c2)occ(Oc2ccc(-c4ccccc4)cc2)c3=O)c1 ZINC000001771708 555713357 /nfs/dbraw/zinc/71/33/57/555713357.db2.gz OYQFNRMYTZGUBV-UHFFFAOYSA-N 0 0 434.491 7.140 50 0 IKAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771701 555713387 /nfs/dbraw/zinc/71/33/87/555713387.db2.gz KUAWWFFCXLJTOK-QGZVFWFLSA-N 0 0 430.456 5.583 50 0 IKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000001771762 555713401 /nfs/dbraw/zinc/71/34/01/555713401.db2.gz YKGFGRBCIUATNI-UHFFFAOYSA-N 0 0 444.361 6.293 50 0 IKAARN COC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000001771777 555713637 /nfs/dbraw/zinc/71/36/37/555713637.db2.gz GLEIDLQGAXLHFZ-UHFFFAOYSA-N 0 0 430.334 5.903 50 0 IKAARN Cc1ccc(C)c(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)c1 ZINC000001774653 555714096 /nfs/dbraw/zinc/71/40/96/555714096.db2.gz XYNKDSLNMBQIMY-UHFFFAOYSA-N 0 0 441.310 7.088 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCOc1ccc(OC)cc1 ZINC000001778289 555714273 /nfs/dbraw/zinc/71/42/73/555714273.db2.gz BZSVQSBNVGXUKR-UHFFFAOYSA-N 0 0 439.533 5.398 50 0 IKAARN CC(C)[C@H]1Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)CO1 ZINC000001778568 555714609 /nfs/dbraw/zinc/71/46/09/555714609.db2.gz KSTMRQHRUNZJDQ-HXUWFJFHSA-N 0 0 448.613 5.837 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3cc4c(cc3Cl)OCO4)cc2o1 ZINC000001781204 555714691 /nfs/dbraw/zinc/71/46/91/555714691.db2.gz ROFRLKSCAWGIJM-UHFFFAOYSA-N 0 0 441.266 6.075 50 0 IKAARN CCc1ccc(-c2csc3ncn(Cc4cccc(Br)c4)c(=O)c23)cc1 ZINC000001781938 555714696 /nfs/dbraw/zinc/71/46/96/555714696.db2.gz LKGCYYAXBJCKHY-UHFFFAOYSA-N 0 0 425.351 5.498 50 0 IKAARN COc1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1Cl ZINC000001783385 555714904 /nfs/dbraw/zinc/71/49/04/555714904.db2.gz YLCACEJCBLGLLW-UHFFFAOYSA-N 0 0 441.965 5.751 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccccc1Cl ZINC000001783001 555714920 /nfs/dbraw/zinc/71/49/20/555714920.db2.gz WZBVFPHCQDQBAG-UHFFFAOYSA-N 0 0 425.315 5.839 50 0 IKAARN CC(C)COP(=O)(OCC(C)C)[C@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000001785978 555715281 /nfs/dbraw/zinc/71/52/81/555715281.db2.gz ZEDWZALLYXESMO-NRFANRHFSA-N 0 0 443.446 7.354 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1Cl)CCCC2 ZINC000001787730 555715717 /nfs/dbraw/zinc/71/57/17/555715717.db2.gz OFNFQECALWDBEW-UHFFFAOYSA-N 0 0 444.940 5.673 50 0 IKAARN COc1cc([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc(OC)c1OC ZINC000001794256 555716345 /nfs/dbraw/zinc/71/63/45/555716345.db2.gz FLQOZQQLRLNSNT-QFIPXVFZSA-N 0 0 437.473 5.866 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)CC)CC4)cc1 ZINC000001795865 555716354 /nfs/dbraw/zinc/71/63/54/555716354.db2.gz GFFWXRSMXHALKX-GOSISDBHSA-N 0 0 425.594 6.337 50 0 IKAARN O=C(COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)OCc1ccccc1 ZINC000001799108 555716622 /nfs/dbraw/zinc/71/66/22/555716622.db2.gz YAQTYOZOJMDQDQ-UHFFFAOYSA-N 0 0 443.480 5.192 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000001804627 555717176 /nfs/dbraw/zinc/71/71/76/555717176.db2.gz MXSALCSRMZLYBO-INIZCTEOSA-N 0 0 426.700 5.168 50 0 IKAARN COc1ccc(CSc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 ZINC000001802023 555717221 /nfs/dbraw/zinc/71/72/21/555717221.db2.gz SUUYRYLYUWGXIE-UHFFFAOYSA-N 0 0 429.419 6.438 50 0 IKAARN Cc1sc2nc(SCc3ccc(Cl)c(Cl)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000001804881 555717262 /nfs/dbraw/zinc/71/72/62/555717262.db2.gz IYAADEDMRWLILI-UHFFFAOYSA-N 0 0 447.412 6.663 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1ccc(-c2ccccc2)cc1 ZINC000001807194 555717537 /nfs/dbraw/zinc/71/75/37/555717537.db2.gz AHGLYDMLJDSVFG-UHFFFAOYSA-N 0 0 426.903 6.512 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4C(C)(C)C)cc3)sc2c1 ZINC000001808241 555717762 /nfs/dbraw/zinc/71/77/62/555717762.db2.gz PEAUFIIENZKHDY-UHFFFAOYSA-N 0 0 430.573 6.587 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc(F)cc1 ZINC000001816487 555718430 /nfs/dbraw/zinc/71/84/30/555718430.db2.gz LNRLSDIGAHSWEM-DEOSSOPVSA-N 0 0 432.886 5.888 50 0 IKAARN Clc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 ZINC000001822036 555718680 /nfs/dbraw/zinc/71/86/80/555718680.db2.gz FHMCBAAFQVYMQL-UHFFFAOYSA-N 0 0 447.778 6.582 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccccc2F)CCCC4)cc1 ZINC000001825316 555718727 /nfs/dbraw/zinc/71/87/27/555718727.db2.gz OBNSDYGNYXSJGK-UHFFFAOYSA-N 0 0 436.577 6.066 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3c(C)onc3-c3ccccc3Cl)ccc21 ZINC000001825919 555718826 /nfs/dbraw/zinc/71/88/26/555718826.db2.gz WIAZFFAYLNJYHG-UHFFFAOYSA-N 0 0 429.907 6.684 50 0 IKAARN CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001819867 555718830 /nfs/dbraw/zinc/71/88/30/555718830.db2.gz VKRZERIGZXUZRV-UHFFFAOYSA-N 0 0 432.589 5.778 50 0 biogenic IKAARN CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccc(F)cc3)c3ccccc3c21 ZINC000001835824 555719345 /nfs/dbraw/zinc/71/93/45/555719345.db2.gz DRBMXIROFSAFNB-UHFFFAOYSA-N 0 0 447.506 6.438 50 0 IKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCCOc3ccccc3F)cc21 ZINC000001836078 555719388 /nfs/dbraw/zinc/71/93/88/555719388.db2.gz QTTHETRXTQUIJS-UHFFFAOYSA-N 0 0 437.261 5.277 50 0 IKAARN Cc1cc2nc(SCC(=O)N3c4ccccc4CCc4ccccc43)nc(C)c2cc1C ZINC000001836893 555719432 /nfs/dbraw/zinc/71/94/32/555719432.db2.gz MPQOQPOQDUJFBQ-UHFFFAOYSA-N 0 0 439.584 6.111 50 0 IKAARN CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 ZINC000001837309 555719440 /nfs/dbraw/zinc/71/94/40/555719440.db2.gz JQJMUQPBYFANTJ-XPWALMASSA-N 0 0 429.318 6.448 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001836969 555719459 /nfs/dbraw/zinc/71/94/59/555719459.db2.gz QHAVFGVHTBLXLF-UHFFFAOYSA-N 0 0 430.617 6.468 50 0 IKAARN O=P(Nc1ccc(Cl)cc1)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000001837990 555719684 /nfs/dbraw/zinc/71/96/84/555719684.db2.gz ISXNGFLWQIADDK-UHFFFAOYSA-N 0 0 428.639 7.325 50 0 IKAARN CC(C(=O)Nc1ccccc1-c1nc2ccccc2s1)(c1ccccc1)c1ccccc1 ZINC000001847870 555720476 /nfs/dbraw/zinc/72/04/76/555720476.db2.gz QUFKQGLJMTVOLA-UHFFFAOYSA-N 0 0 434.564 6.908 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc2)cc1 ZINC000001849368 555720565 /nfs/dbraw/zinc/72/05/65/555720565.db2.gz LYZNNTXPKPTPKL-HHHXNRCGSA-N 0 0 449.506 6.028 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(C(=O)c4ccccc4)cc3)c3ccccc3n2)cc1 ZINC000001861384 555721234 /nfs/dbraw/zinc/72/12/34/555721234.db2.gz XQNSLPIBJOQPBP-UHFFFAOYSA-N 0 0 443.502 6.660 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001863739 555721494 /nfs/dbraw/zinc/72/14/94/555721494.db2.gz MZJGSDCGCQJUCT-NDEPHWFRSA-N 0 0 434.491 6.007 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000001865281 555721570 /nfs/dbraw/zinc/72/15/70/555721570.db2.gz UMOTVDFVRQSJPN-UHFFFAOYSA-N 0 0 429.903 6.964 50 0 IKAARN COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000001862148 555721603 /nfs/dbraw/zinc/72/16/03/555721603.db2.gz HOSNEHWJQPZXAN-HHHXNRCGSA-N 0 0 445.515 5.198 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001880177 555722274 /nfs/dbraw/zinc/72/22/74/555722274.db2.gz KJTCOKAZKHMDHB-UHFFFAOYSA-N 0 0 441.767 6.568 50 0 IKAARN CCOc1ccc2nc(SCC(=O)N3c4ccccc4CCc4ccccc43)sc2c1 ZINC000001883478 555722295 /nfs/dbraw/zinc/72/22/95/555722295.db2.gz LQAWOCJVAQJMIL-UHFFFAOYSA-N 0 0 446.597 6.251 50 0 IKAARN Cc1cc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2cc1C ZINC000001887705 555722677 /nfs/dbraw/zinc/72/26/77/555722677.db2.gz FFKNNBNIAHVVCU-UHFFFAOYSA-N 0 0 437.877 7.094 50 0 in-vitro IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001886779 555722686 /nfs/dbraw/zinc/72/26/86/555722686.db2.gz PGIJOBUHLUHZFE-LLVKDONJSA-N 0 0 442.364 5.516 50 0 IKAARN COc1ccc(C(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000001893998 555722969 /nfs/dbraw/zinc/72/29/69/555722969.db2.gz ZMSUIUFGFBAMPS-UHFFFAOYSA-N 0 0 434.948 6.360 50 0 IKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(-c4ccccc4)cc2)n1)CCC3 ZINC000001895147 555722971 /nfs/dbraw/zinc/72/29/71/555722971.db2.gz CROZZBWWJPYKGY-UHFFFAOYSA-N 0 0 431.586 5.886 50 0 IKAARN Cc1ccc(NC(=O)c2sc(Nc3ccc(C)c(C)c3)nc2-c2ccccc2)cc1C ZINC000001896010 555723229 /nfs/dbraw/zinc/72/32/29/555723229.db2.gz VHHUZIMNQRSZNQ-UHFFFAOYSA-N 0 0 427.573 7.040 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 ZINC000001904148 555723778 /nfs/dbraw/zinc/72/37/78/555723778.db2.gz WCLSXWHDOJRFLG-UHFFFAOYSA-N 0 0 437.923 5.974 50 0 IKAARN CC(C)(C)c1ccc(C(=O)OCCNc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000001912349 555724487 /nfs/dbraw/zinc/72/44/87/555724487.db2.gz UHILHIODUZTQQU-UHFFFAOYSA-N 0 0 425.532 5.863 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1F ZINC000001934954 555725323 /nfs/dbraw/zinc/72/53/23/555725323.db2.gz ZZGJIOJXONOKDE-UHFFFAOYSA-N 0 0 448.313 5.746 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001945624 555726091 /nfs/dbraw/zinc/72/60/91/555726091.db2.gz QVTFNMXJVHQWOW-SFHVURJKSA-N 0 0 441.637 6.626 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001946243 555726100 /nfs/dbraw/zinc/72/61/00/555726100.db2.gz FRPINBZZMRIMFW-BLMSOEDDSA-N 0 0 431.985 5.991 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001946370 555726381 /nfs/dbraw/zinc/72/63/81/555726381.db2.gz MOXFSEHHLOVSDT-UHFFFAOYSA-N 0 0 441.552 6.820 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc(C)c1-c1ccccc1 ZINC000001953155 555726402 /nfs/dbraw/zinc/72/64/02/555726402.db2.gz DMJWKNBMUNKOHE-UHFFFAOYSA-N 0 0 433.485 5.259 50 0 IKAARN Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c2cccc3Cl)c(Cl)c1 ZINC000002016037 555727690 /nfs/dbraw/zinc/72/76/90/555727690.db2.gz JLGKQTAYUIMGRK-IBGZPJMESA-N 0 0 437.779 7.016 50 0 fda IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4Cl)c3)oc2c(C)c1 ZINC000002031536 555727930 /nfs/dbraw/zinc/72/79/30/555727930.db2.gz MMJHVWVYRRPQHW-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN O=C(C1=NN(c2ccccc2)[C@@]2(c3ccccc3)N1CCN2c1ccccc1)c1ccccc1 ZINC000002049115 555728207 /nfs/dbraw/zinc/72/82/07/555728207.db2.gz PDLHTGODSCGEMA-GDLZYMKVSA-N 0 0 444.538 5.336 50 0 IKAARN CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 ZINC000002047743 555728261 /nfs/dbraw/zinc/72/82/61/555728261.db2.gz VAARYSWULJUGST-UHFFFAOYSA-N 0 0 443.359 5.768 50 0 in-vivo IKAARN O=C1N=C(N(c2ccccc2)c2ccccc2)S[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000002049897 555728614 /nfs/dbraw/zinc/72/86/14/555728614.db2.gz BRCJHIHROWEMMT-FTJBHMTQSA-N 0 0 434.564 6.979 50 0 IKAARN O=C1N=C(N(c2ccccc2)c2ccccc2)S[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000002049896 555728726 /nfs/dbraw/zinc/72/87/26/555728726.db2.gz BRCJHIHROWEMMT-UIOOFZCWSA-N 0 0 434.564 6.979 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1-c1nc2cc(Cl)ccc2o1 ZINC000002050681 555728839 /nfs/dbraw/zinc/72/88/39/555728839.db2.gz MJFPAEDEILGMFU-UHFFFAOYSA-N 0 0 426.903 7.171 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)cc1 ZINC000002050787 555728974 /nfs/dbraw/zinc/72/89/74/555728974.db2.gz JRKCFSFJOWBSFT-UHFFFAOYSA-N 0 0 436.511 7.079 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1 ZINC000002052354 555729259 /nfs/dbraw/zinc/72/92/59/555729259.db2.gz LCVJPLHZXAELEO-UHFFFAOYSA-N 0 0 435.387 5.372 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000002052155 555729262 /nfs/dbraw/zinc/72/92/62/555729262.db2.gz NIMJGQJNXYHZIK-UHFFFAOYSA-N 0 0 436.364 6.195 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002052194 555729282 /nfs/dbraw/zinc/72/92/82/555729282.db2.gz RCLONOWJODFOPM-UHFFFAOYSA-N 0 0 435.763 6.441 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@@H](C)C2 ZINC000002053567 555729479 /nfs/dbraw/zinc/72/94/79/555729479.db2.gz GUBWRZJUEOANFC-LLVKDONJSA-N 0 0 433.982 6.170 50 0 IKAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1 ZINC000002054309 555729768 /nfs/dbraw/zinc/72/97/68/555729768.db2.gz KOEZIVQSTXOZAM-UHFFFAOYSA-N 0 0 432.570 5.301 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000002054083 555729781 /nfs/dbraw/zinc/72/97/81/555729781.db2.gz ATQVIWHTLCPMSH-UHFFFAOYSA-N 0 0 433.986 5.915 50 0 IKAARN Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000002054397 555729835 /nfs/dbraw/zinc/72/98/35/555729835.db2.gz XRSJPTLZINOZRY-OABJIQBASA-N 0 0 447.606 6.864 50 0 IKAARN Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000002054399 555729852 /nfs/dbraw/zinc/72/98/52/555729852.db2.gz XRSJPTLZINOZRY-NNVROAHOSA-N 0 0 447.606 6.864 50 0 IKAARN c1c(-c2cc(-c3ccccc3)nn2-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000002055725 555730583 /nfs/dbraw/zinc/73/05/83/555730583.db2.gz NOQNOLIZXNYAAM-UHFFFAOYSA-N 0 0 438.534 7.059 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000002059459 555731474 /nfs/dbraw/zinc/73/14/74/555731474.db2.gz CBADRIHIFHKWBQ-UHFFFAOYSA-N 0 0 441.358 6.796 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000002059341 555731505 /nfs/dbraw/zinc/73/15/05/555731505.db2.gz PFGBKJPOPHDVNF-STZFKDTASA-N 0 0 433.891 5.662 50 0 IKAARN CCCCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060617 555731672 /nfs/dbraw/zinc/73/16/72/555731672.db2.gz KGQSMAKJQOLUCY-UHFFFAOYSA-N 0 0 436.665 6.751 50 0 IKAARN Cc1c2c(n(Cc3ccccc3)c1-c1ccccc1)[C@@H](c1ccc(C)cc1)Oc1ccccc1-2 ZINC000002060472 555731687 /nfs/dbraw/zinc/73/16/87/555731687.db2.gz ZXOZPEWXMVGWBG-JGCGQSQUSA-N 0 0 441.574 7.969 50 0 IKAARN Cc1c2c(n(C3CCCCCC3)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 ZINC000002060380 555731709 /nfs/dbraw/zinc/73/17/09/555731709.db2.gz MNQJCTOHTGSXJR-HKBQPEDESA-N 0 0 433.595 8.508 50 0 IKAARN COc1ccc(C(=O)Oc2ccccc2C2SCc3cc(C)c(C)cc3CS2)cc1 ZINC000002060395 555731735 /nfs/dbraw/zinc/73/17/35/555731735.db2.gz WWBHVEXNDKQRQY-UHFFFAOYSA-N 0 0 436.598 6.710 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(/C=C3/N(C)c4ccccc4C3(C)C)sc2Cl)cc1 ZINC000002061462 555731989 /nfs/dbraw/zinc/73/19/89/555731989.db2.gz ZYBOPWZPJIHJQS-QGOAFFKASA-N 0 0 445.009 5.706 50 0 IKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002061403 555732007 /nfs/dbraw/zinc/73/20/07/555732007.db2.gz HMKKOJSPVXGYMS-UHFFFAOYSA-N 0 0 449.293 7.314 50 0 IKAARN Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c(C)c1 ZINC000002061904 555732193 /nfs/dbraw/zinc/73/21/93/555732193.db2.gz RFUBDIFMQMZFTM-LBPRGKRZSA-N 0 0 428.120 5.201 50 0 IKAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc2ccccc21 ZINC000002061730 555732200 /nfs/dbraw/zinc/73/22/00/555732200.db2.gz XWXKSINTUGKDJO-LBPRGKRZSA-N 0 0 449.142 5.771 50 0 IKAARN CC(C)(C)c1cc(OC(=O)CCc2ccccc2)ccc1OC(=O)CCc1ccccc1 ZINC000002061894 555732267 /nfs/dbraw/zinc/73/22/67/555732267.db2.gz NXYBIQIHKMLWJX-UHFFFAOYSA-N 0 0 430.544 6.061 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1 ZINC000002062693 555732521 /nfs/dbraw/zinc/73/25/21/555732521.db2.gz IXNRYSLFOXLNJJ-UHFFFAOYSA-N 0 0 438.483 5.431 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 ZINC000002062624 555732536 /nfs/dbraw/zinc/73/25/36/555732536.db2.gz PCPROCGPKNIHDZ-UHFFFAOYSA-N 0 0 428.532 6.851 50 0 IKAARN CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)Cc1ccccc1)c1ccccc1Cl ZINC000002063569 555732706 /nfs/dbraw/zinc/73/27/06/555732706.db2.gz FENXQLVGXFEBTI-MHZLTWQESA-N 0 0 443.930 5.867 50 0 aggregator IKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002063119 555732737 /nfs/dbraw/zinc/73/27/37/555732737.db2.gz KQACOWRGKRLJFR-UHFFFAOYSA-N 0 0 449.293 7.314 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4cccc5ccccc54)s3)c(=O)oc2c1 ZINC000002063630 555732744 /nfs/dbraw/zinc/73/27/44/555732744.db2.gz XTUFCBCXBCEJCR-UHFFFAOYSA-N 0 0 442.544 6.055 50 0 IKAARN CCc1ccc(C)c(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000002065824 555733335 /nfs/dbraw/zinc/73/33/35/555733335.db2.gz GQRRHDGZURYTPA-LBPRGKRZSA-N 0 0 442.147 5.455 50 0 IKAARN O=C(N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002066241 555733361 /nfs/dbraw/zinc/73/33/61/555733361.db2.gz KRBZQXNCVKMQGA-SFHVURJKSA-N 0 0 428.146 6.031 50 0 IKAARN Cc1cc(C)c(OC(=O)c2ccc(Cl)cc2Cl)c(CNC(=O)c2ccccc2)c1 ZINC000002067145 555733681 /nfs/dbraw/zinc/73/36/81/555733681.db2.gz LUVMAONEDWUYHF-UHFFFAOYSA-N 0 0 428.315 5.759 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)C2CCCCC2)sc2c1CCCC2 ZINC000002067420 555733686 /nfs/dbraw/zinc/73/36/86/555733686.db2.gz RXOUXWGJDQGTGR-OAQYLSRUSA-N 0 0 425.594 6.106 50 0 IKAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000002069072 555733918 /nfs/dbraw/zinc/73/39/18/555733918.db2.gz HTFAVBZNYZHSBJ-KGENOOAVSA-N 0 0 433.385 6.463 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002068054 555733952 /nfs/dbraw/zinc/73/39/52/555733952.db2.gz FLBMOCORQYFAHJ-UHFFFAOYSA-N 0 0 449.506 5.575 50 0 IKAARN COc1ccc(C(=O)N[C@@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002068926 555733981 /nfs/dbraw/zinc/73/39/81/555733981.db2.gz IRAVZYYLCDHQNW-OAHLLOKOSA-N 0 0 442.557 5.540 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002068929 555734012 /nfs/dbraw/zinc/73/40/12/555734012.db2.gz DAWZTTXIFBLGIR-ZNFPLGDCSA-N 0 0 437.676 5.643 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cc(C)ccc4C)cc3)cc2)c1 ZINC000002069593 555734219 /nfs/dbraw/zinc/73/42/19/555734219.db2.gz NGYBPLFZQCUAOY-UHFFFAOYSA-N 0 0 448.566 7.092 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(Br)ccc2Br)c(C)c1 ZINC000002069501 555734245 /nfs/dbraw/zinc/73/42/45/555734245.db2.gz SIULYQLQMMCSGG-UHFFFAOYSA-N 0 0 440.179 5.619 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)Cc3cccc4ccccc43)c2)c1C ZINC000002069733 555734553 /nfs/dbraw/zinc/73/45/53/555734553.db2.gz LCWKATHFWUCYHN-UHFFFAOYSA-N 0 0 442.946 6.544 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002069731 555734576 /nfs/dbraw/zinc/73/45/76/555734576.db2.gz OXTZGIDEHNYLBF-UHFFFAOYSA-N 0 0 440.930 6.820 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 ZINC000002069743 555734597 /nfs/dbraw/zinc/73/45/97/555734597.db2.gz JMSUBNCFDVFKPY-UHFFFAOYSA-N 0 0 434.967 5.862 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002069727 555734622 /nfs/dbraw/zinc/73/46/22/555734622.db2.gz ICGWSYYHMPXNII-UHFFFAOYSA-N 0 0 426.903 6.512 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC000002069804 555734663 /nfs/dbraw/zinc/73/46/63/555734663.db2.gz NOKLFHWKONXUJK-GOSISDBHSA-N 0 0 434.967 6.533 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccc(Br)c1 ZINC000002071420 555734865 /nfs/dbraw/zinc/73/48/65/555734865.db2.gz UNFKWXYYLRZAAO-UHFFFAOYSA-N 0 0 443.300 6.663 50 0 IKAARN OC(c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F ZINC000002072446 555735128 /nfs/dbraw/zinc/73/51/28/555735128.db2.gz ICESJPMAGXLVST-UHFFFAOYSA-N 0 0 439.399 6.206 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 ZINC000002073675 555735310 /nfs/dbraw/zinc/73/53/10/555735310.db2.gz BKFFIAXPBJYUDU-FQEVSTJZSA-N 0 0 444.963 6.507 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000002074014 555735348 /nfs/dbraw/zinc/73/53/48/555735348.db2.gz WGRPDNXBHAFHJC-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc32)c(C)c1 ZINC000002074094 555735737 /nfs/dbraw/zinc/73/57/37/555735737.db2.gz LBPZCXNPNCILAV-UHFFFAOYSA-N 0 0 431.536 6.092 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000002074905 555735743 /nfs/dbraw/zinc/73/57/43/555735743.db2.gz RLEYRVGSEPQYNZ-UHFFFAOYSA-N 0 0 449.528 5.192 50 0 IKAARN FC(F)(F)c1cccc(N2Cc3cc4c(cc3C2)CN(c2cccc(C(F)(F)F)c2)C4)c1 ZINC000002076310 555735983 /nfs/dbraw/zinc/73/59/83/555735983.db2.gz IJFYOPUVIVVZSO-UHFFFAOYSA-N 0 0 448.410 6.765 50 0 IKAARN Cc1cc(C(F)(F)F)c2c(-c3cccc(Br)c3)nn(-c3ccccc3)c2n1 ZINC000002076942 555736057 /nfs/dbraw/zinc/73/60/57/555736057.db2.gz VKHBRUNQMDFYOC-UHFFFAOYSA-N 0 0 432.243 6.177 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c3cc(C)ccc3n2)cc1 ZINC000002078764 555736268 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IKAARN COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c3cc(C)ccc3n2)cc1 ZINC000002079435 555736875 /nfs/dbraw/zinc/73/68/75/555736875.db2.gz WBBUVCWVLXMXTK-GOSISDBHSA-N 0 0 425.484 5.647 50 0 IKAARN COc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3cc(C)ccc3n2)cc1 ZINC000002079386 555736967 /nfs/dbraw/zinc/73/69/67/555736967.db2.gz DMTXNAHAJIVCSM-UHFFFAOYSA-N 0 0 448.316 6.201 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)cc1 ZINC000002079561 555737258 /nfs/dbraw/zinc/73/72/58/555737258.db2.gz XPZKBECDQOGNIJ-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccccc3)cc2)cc1C ZINC000002079648 555737489 /nfs/dbraw/zinc/73/74/89/555737489.db2.gz KTNHCIAHDIXWTO-UHFFFAOYSA-N 0 0 445.515 5.631 50 0 IKAARN COc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3c(C)cc(C)cc32)cc1 ZINC000002079745 555737494 /nfs/dbraw/zinc/73/74/94/555737494.db2.gz JZUWOBOKCDYNKM-UHFFFAOYSA-N 0 0 430.935 6.741 50 0 IKAARN COc1cccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)c1 ZINC000002079734 555737535 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Cc1ccccc1-c1cc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc2n1 ZINC000002082062 555738358 /nfs/dbraw/zinc/73/83/58/555738358.db2.gz QOCNJNLPHJUOGK-UHFFFAOYSA-N 0 0 428.360 6.158 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc2c(Br)cccc12 ZINC000002081686 555738373 /nfs/dbraw/zinc/73/83/73/555738373.db2.gz FMOMVWKNXYHHKJ-UHFFFAOYSA-N 0 0 443.300 6.663 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@H](CC)C2 ZINC000002082287 555738642 /nfs/dbraw/zinc/73/86/42/555738642.db2.gz CNZJIEDZVLOXBF-AWEZNQCLSA-N 0 0 435.973 5.419 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CCCCCC2 ZINC000002082254 555738645 /nfs/dbraw/zinc/73/86/45/555738645.db2.gz ARWJSLLTOVPMTA-WYMLVPIESA-N 0 0 443.565 5.253 50 0 IKAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCCC2 ZINC000002083734 555739162 /nfs/dbraw/zinc/73/91/62/555739162.db2.gz CIQYWLBKGQGPOJ-CQSZACIVSA-N 0 0 435.973 5.562 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 ZINC000002083914 555739212 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IKAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCCC2 ZINC000002085761 555739734 /nfs/dbraw/zinc/73/97/34/555739734.db2.gz OOERUCUMUURVIS-UHFFFAOYSA-N 0 0 442.364 5.518 50 0 IKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000002085467 555739762 /nfs/dbraw/zinc/73/97/62/555739762.db2.gz YUNVEBPPMKSNJT-NHDPSOOVSA-N 0 0 442.273 6.056 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)sc2c1 ZINC000002086599 555740006 /nfs/dbraw/zinc/74/00/06/555740006.db2.gz YVOGTIAWGOJYJD-UHFFFAOYSA-N 0 0 434.973 7.392 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CC[C@H](C)C2 ZINC000002087472 555740317 /nfs/dbraw/zinc/74/03/17/555740317.db2.gz UBQLZMRNSSWRHG-INIZCTEOSA-N 0 0 437.561 5.609 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)cc(Cl)c1OC)Nc1ccccc1-2 ZINC000002087091 555740324 /nfs/dbraw/zinc/74/03/24/555740324.db2.gz FEGWQIVUDMANIG-KRWDZBQOSA-N 0 0 435.336 5.469 50 0 IKAARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)c(OC)c1 ZINC000002087693 555740343 /nfs/dbraw/zinc/74/03/43/555740343.db2.gz JNSMSGKEJNFEBA-FCHUYYIVSA-N 0 0 426.310 5.697 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CC[C@@H](C)C2 ZINC000002087474 555740344 /nfs/dbraw/zinc/74/03/44/555740344.db2.gz UBQLZMRNSSWRHG-MRXNPFEDSA-N 0 0 437.561 5.609 50 0 IKAARN CCCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000002088322 555740510 /nfs/dbraw/zinc/74/05/10/555740510.db2.gz GXUCNLACTMFVFU-UKRRQHHQSA-N 0 0 435.277 5.380 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(OC(C)C)cc1)C[C@H](c1ccccc1)CC2 ZINC000002088171 555740554 /nfs/dbraw/zinc/74/05/54/555740554.db2.gz SEXPHVUDCIXOLT-LJQANCHMSA-N 0 0 449.572 5.847 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1C ZINC000002088844 555740812 /nfs/dbraw/zinc/74/08/12/555740812.db2.gz OAOBMFDVBNEGPJ-UHFFFAOYSA-N 0 0 442.562 7.038 50 0 IKAARN CCCN(CCC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc21 ZINC000002088907 555740814 /nfs/dbraw/zinc/74/08/14/555740814.db2.gz KRPNLEOMZFCCOP-UHFFFAOYSA-N 0 0 425.370 6.235 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000002088985 555740815 /nfs/dbraw/zinc/74/08/15/555740815.db2.gz LZONFBOZKZNYGZ-UHFFFAOYSA-N 0 0 445.360 5.945 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C)c1-c1ccc(CC)cc1 ZINC000002089627 555740839 /nfs/dbraw/zinc/74/08/39/555740839.db2.gz XKBILZWTINYIOG-UHFFFAOYSA-N 0 0 437.517 5.444 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2Cl)cc1 ZINC000002088740 555740842 /nfs/dbraw/zinc/74/08/42/555740842.db2.gz OFJSQKZSQBKXBS-PNHLSOANSA-N 0 0 446.890 5.748 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002090354 555741079 /nfs/dbraw/zinc/74/10/79/555741079.db2.gz WBXXNYSHHFLYKL-UHFFFAOYSA-N 0 0 437.282 6.190 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(C)onc2-c2ccccc2)sc(C)c1-c1ccccc1 ZINC000002091279 555741153 /nfs/dbraw/zinc/74/11/53/555741153.db2.gz JHWIGFNRLAPJKR-UHFFFAOYSA-N 0 0 446.528 6.116 50 0 aggregator IKAARN CCCOC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1)C[C@@H](C)CC2 ZINC000002092803 555741407 /nfs/dbraw/zinc/74/14/07/555741407.db2.gz MGDQMUYZZUHNRX-AWEZNQCLSA-N 0 0 438.549 5.655 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002093022 555741419 /nfs/dbraw/zinc/74/14/19/555741419.db2.gz NQCGYBYPFXGXEH-UHFFFAOYSA-N 0 0 441.745 7.423 50 0 IKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1 ZINC000002093032 555741427 /nfs/dbraw/zinc/74/14/27/555741427.db2.gz KYUZMQRHXXADEP-UHFFFAOYSA-N 0 0 447.022 7.663 50 0 IKAARN CCCOC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1)C[C@H](C)CC2 ZINC000002092805 555741458 /nfs/dbraw/zinc/74/14/58/555741458.db2.gz MGDQMUYZZUHNRX-CQSZACIVSA-N 0 0 438.549 5.655 50 0 IKAARN Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1C ZINC000002093585 555741751 /nfs/dbraw/zinc/74/17/51/555741751.db2.gz UZUNTKGCUACQCP-UHFFFAOYSA-N 0 0 430.773 6.910 50 0 IKAARN COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000002094017 555741764 /nfs/dbraw/zinc/74/17/64/555741764.db2.gz LLVSVIATXHWDHL-UHFFFAOYSA-N 0 0 430.317 6.096 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(C)=O)c1ccccc1-2 ZINC000002094835 555741959 /nfs/dbraw/zinc/74/19/59/555741959.db2.gz YWPMKDSYIZMKEC-HXUWFJFHSA-N 0 0 426.567 5.327 50 0 IKAARN COc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccc(C)cc3)nc2O1 ZINC000002094690 555741972 /nfs/dbraw/zinc/74/19/72/555741972.db2.gz HLWFQZPLANWJCB-HSZRJFAPSA-N 0 0 442.544 5.651 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H]([C@@H]2CC=C(C)CC2)Nc2ccccc2-3)cc1 ZINC000002094716 555741978 /nfs/dbraw/zinc/74/19/78/555741978.db2.gz DMENWUIQWGEJBB-XXBNENTESA-N 0 0 430.577 6.016 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H]([C@@H]2CC=C(C)CC2)Nc2ccccc2-3)cc1 ZINC000002094713 555741990 /nfs/dbraw/zinc/74/19/90/555741990.db2.gz DMENWUIQWGEJBB-AUSIDOKSSA-N 0 0 430.577 6.016 50 0 IKAARN CCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CCCO1 ZINC000002101271 555742378 /nfs/dbraw/zinc/74/23/78/555742378.db2.gz XIOZNJHBEHADFS-OAQYLSRUSA-N 0 0 435.545 5.766 50 0 IKAARN CCCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)cc1 ZINC000002103221 555742648 /nfs/dbraw/zinc/74/26/48/555742648.db2.gz XHDRBDVMYMQHMX-UHFFFAOYSA-N 0 0 425.488 5.042 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 ZINC000002104349 555742907 /nfs/dbraw/zinc/74/29/07/555742907.db2.gz RWGWWOVBVPYLAC-QFIPXVFZSA-N 0 0 438.553 5.557 50 0 IKAARN CCCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccccc1 ZINC000002103284 555742938 /nfs/dbraw/zinc/74/29/38/555742938.db2.gz KMXCCCIPTMUDOD-IBGZPJMESA-N 0 0 426.365 5.813 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 ZINC000002104347 555742952 /nfs/dbraw/zinc/74/29/52/555742952.db2.gz RWGWWOVBVPYLAC-JOCHJYFZSA-N 0 0 438.553 5.557 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000002105313 555743215 /nfs/dbraw/zinc/74/32/15/555743215.db2.gz JYDLQELROCJBIU-IBGZPJMESA-N 0 0 449.572 5.848 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](CC)C2 ZINC000002105080 555743223 /nfs/dbraw/zinc/74/32/23/555743223.db2.gz HROXJTRDYJTJRR-LBPRGKRZSA-N 0 0 440.392 5.928 50 0 IKAARN CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)c1csc(C)c1C ZINC000002106077 555743429 /nfs/dbraw/zinc/74/34/29/555743429.db2.gz UTYWZJLKGWIXRN-UHFFFAOYSA-N 0 0 435.570 6.676 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1cc(C)ccc1C ZINC000002107710 555743433 /nfs/dbraw/zinc/74/34/33/555743433.db2.gz QHVKDSMJUJKCFY-UHFFFAOYSA-N 0 0 437.561 6.168 50 0 IKAARN CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc(C)c1-c1ccc(OC)cc1 ZINC000002105497 555743480 /nfs/dbraw/zinc/74/34/80/555743480.db2.gz MSILOIAAVILNSE-UHFFFAOYSA-N 0 0 441.574 5.640 50 0 IKAARN Cc1cc(C)cc(NC(=O)C(Nc2cc(C)cc(C)c2)(c2ccccc2)c2ccccc2)c1 ZINC000002105523 555743487 /nfs/dbraw/zinc/74/34/87/555743487.db2.gz PQUPYMKATHAUEQ-UHFFFAOYSA-N 0 0 434.583 6.915 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc(C)c1-c1ccc(F)cc1 ZINC000002107595 555743493 /nfs/dbraw/zinc/74/34/93/555743493.db2.gz JOQPWAAWAQAPTR-UHFFFAOYSA-N 0 0 443.565 6.232 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 ZINC000002105474 555743551 /nfs/dbraw/zinc/74/35/51/555743551.db2.gz FYPAZTOQJVSDOW-UHFFFAOYSA-N 0 0 437.561 6.168 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000002107731 555743829 /nfs/dbraw/zinc/74/38/29/555743829.db2.gz UNZOIAOHSLVCGD-FQEVSTJZSA-N 0 0 440.392 6.238 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000002107745 555743846 /nfs/dbraw/zinc/74/38/46/555743846.db2.gz HQUCWWUOFDTBNB-INIZCTEOSA-N 0 0 434.490 6.408 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CCC1CCCC1 ZINC000002107972 555743851 /nfs/dbraw/zinc/74/38/51/555743851.db2.gz IOKZBHHRTPYXFL-UHFFFAOYSA-N 0 0 427.610 6.798 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)C)c1-c1ccc(C)cc1 ZINC000002107884 555743855 /nfs/dbraw/zinc/74/38/55/555743855.db2.gz GKEWMOCHCIUQGG-UHFFFAOYSA-N 0 0 427.953 6.503 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1-c1ccc(OC)cc1 ZINC000002107960 555743881 /nfs/dbraw/zinc/74/38/81/555743881.db2.gz IPXACSLJWVNGKQ-UHFFFAOYSA-N 0 0 427.522 5.761 50 0 IKAARN CCOC(=O)c1c(-c2ccc(CC(C)C)cc2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000002107722 555743893 /nfs/dbraw/zinc/74/38/93/555743893.db2.gz XWNRQBPDQJRVOK-UHFFFAOYSA-N 0 0 441.980 6.696 50 0 IKAARN Cc1cc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cs1 ZINC000002112231 555744369 /nfs/dbraw/zinc/74/43/69/555744369.db2.gz MJBYQQANESQILB-UHFFFAOYSA-N 0 0 430.982 6.155 50 0 IKAARN Cc1sc(NC(=S)NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(C(C)C)cc1 ZINC000002112752 555744410 /nfs/dbraw/zinc/74/44/10/555744410.db2.gz FGRSBVCFGGGIRE-UHFFFAOYSA-N 0 0 429.998 6.022 50 0 IKAARN CC[C@@H](NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1ccc(C(C)C)cc1 ZINC000002112815 555744425 /nfs/dbraw/zinc/74/44/25/555744425.db2.gz KZYDCPKJOZWISE-OAQYLSRUSA-N 0 0 446.374 7.170 50 0 IKAARN CC[C@H](NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1ccc(C(C)C)cc1 ZINC000002112812 555744445 /nfs/dbraw/zinc/74/44/45/555744445.db2.gz KZYDCPKJOZWISE-NRFANRHFSA-N 0 0 446.374 7.170 50 0 IKAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002115257 555744961 /nfs/dbraw/zinc/74/49/61/555744961.db2.gz TYILYXHOHTUSLZ-UHFFFAOYSA-N 0 0 445.340 5.289 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 ZINC000002122150 555745614 /nfs/dbraw/zinc/74/56/14/555745614.db2.gz KVNYVNKTMLJIDI-UHFFFAOYSA-N 0 0 433.508 5.632 50 0 IKAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000002126357 555745946 /nfs/dbraw/zinc/74/59/46/555745946.db2.gz UJKAQRVVVJNCFA-UHFFFAOYSA-N 0 0 435.980 5.734 50 0 IKAARN CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2ccccc2OC)cc1OCC ZINC000002127269 555745951 /nfs/dbraw/zinc/74/59/51/555745951.db2.gz PEEADTLHEYJNQS-QHCPKHFHSA-N 0 0 433.548 5.597 50 0 IKAARN O=C(CCCCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000002133245 555746594 /nfs/dbraw/zinc/74/65/94/555746594.db2.gz KYQHRSDBUKTGKI-UHFFFAOYSA-N 0 0 434.150 6.438 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2c[nH]c3ccccc32)N1c1cccc(C)c1 ZINC000002137774 555747531 /nfs/dbraw/zinc/74/75/31/555747531.db2.gz WSCQYIQYUZIYBO-RUZDIDTESA-N 0 0 428.923 6.058 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2c(C)cc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002138410 555747851 /nfs/dbraw/zinc/74/78/51/555747851.db2.gz YMYNRIHJBGGYQP-UHFFFAOYSA-N 0 0 442.364 5.436 50 0 IKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000002138407 555747933 /nfs/dbraw/zinc/74/79/33/555747933.db2.gz ZDAIMWYTUNZWGQ-UXBLZVDNSA-N 0 0 437.330 5.996 50 0 IKAARN FC(F)(F)c1sc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1-c1ccccc1 ZINC000002141876 555748138 /nfs/dbraw/zinc/74/81/38/555748138.db2.gz OYMNPJXKQVTQTR-UHFFFAOYSA-N 0 0 440.368 7.170 50 0 in-vitro IKAARN Clc1ccc(-c2cc(-c3csc(COc4ccccc4Cl)n3)on2)cc1Cl ZINC000002142122 555748173 /nfs/dbraw/zinc/74/81/73/555748173.db2.gz UFTOGCZUAHTVHR-UHFFFAOYSA-N 0 0 437.735 7.004 50 0 IKAARN COc1ccc(-c2c(-c3ccccc3)cn3ccc4cc(OC)c(OC)cc4c23)cc1OC ZINC000002140478 555748184 /nfs/dbraw/zinc/74/81/84/555748184.db2.gz IWZUSEMDGJYEJW-UHFFFAOYSA-N 0 0 439.511 6.461 50 0 biogenic,in-vitro IKAARN O=C(CSCc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002142005 555748197 /nfs/dbraw/zinc/74/81/97/555748197.db2.gz NJJUBXXKOJTVMC-UHFFFAOYSA-N 0 0 434.454 6.540 50 0 IKAARN O=C(Nc1nc2c(s1)sc(C(F)(F)F)c2-c1ccccc1)c1ccc(Cl)cc1 ZINC000002142098 555748234 /nfs/dbraw/zinc/74/82/34/555748234.db2.gz CKFZQIPXLXXCOP-UHFFFAOYSA-N 0 0 438.883 6.949 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000002143995 555748788 /nfs/dbraw/zinc/74/87/88/555748788.db2.gz AAUKRRKQIOKXMQ-UHFFFAOYSA-N 0 0 436.886 7.295 50 0 IKAARN CCCc1cc(=O)oc2cc(OS(=O)(=O)c3cc(C)c(Cl)cc3Cl)ccc12 ZINC000002143808 555748855 /nfs/dbraw/zinc/74/88/55/555748855.db2.gz CPMJCFQSTBXXOM-UHFFFAOYSA-N 0 0 427.305 5.128 50 0 IKAARN O=C(CSc1nc2ccccc2c(SCC(=O)c2ccccc2)n1)c1ccccc1 ZINC000002146059 555749028 /nfs/dbraw/zinc/74/90/28/555749028.db2.gz NNFDJKZCFZXOCJ-UHFFFAOYSA-N 0 0 430.554 5.580 50 0 IKAARN CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000002145552 555749133 /nfs/dbraw/zinc/74/91/33/555749133.db2.gz CRUIXQCDECMLNQ-UHFFFAOYSA-N 0 0 430.879 5.520 50 0 IKAARN CSc1nsc(SC)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002149133 555749309 /nfs/dbraw/zinc/74/93/09/555749309.db2.gz LYZFMCMNGXDWIF-UHFFFAOYSA-N 0 0 432.436 5.877 50 0 IKAARN O=S(=O)(CCSCc1ccc(Cl)cc1)CCSCc1ccc(Cl)cc1 ZINC000002147551 555749365 /nfs/dbraw/zinc/74/93/65/555749365.db2.gz CVLNQNUOLGEAHJ-UHFFFAOYSA-N 0 0 435.463 5.575 50 0 IKAARN O=C(Nc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000002148106 555749385 /nfs/dbraw/zinc/74/93/85/555749385.db2.gz ZGAACOZBOJLWKY-UHFFFAOYSA-N 0 0 432.254 6.780 50 0 IKAARN CCCCN1C(=O)N(c2nnc(C(C)(C)C)s2)[C@@H](O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002153173 555749939 /nfs/dbraw/zinc/74/99/39/555749939.db2.gz IGSHLLPBVDNSOO-CABCVRRESA-N 0 0 443.400 5.244 50 0 IKAARN O=C(CSc1ssc(=S)c1-c1ccccc1)Nc1ccc(F)c(F)c1F ZINC000002155045 555750255 /nfs/dbraw/zinc/75/02/55/555750255.db2.gz ZSMGANHBHANNHF-UHFFFAOYSA-N 0 0 429.535 6.354 50 0 IKAARN O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(C2SCCS2)cc1 ZINC000002159063 555750560 /nfs/dbraw/zinc/75/05/60/555750560.db2.gz ICJUGGQTYKAHHD-UHFFFAOYSA-N 0 0 437.480 5.592 50 0 IKAARN Cn1c(CSCCOc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000002157980 555750644 /nfs/dbraw/zinc/75/06/44/555750644.db2.gz ZAVYUZMQQGXMPG-UHFFFAOYSA-N 0 0 440.421 5.726 50 0 IKAARN O=C(Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c21)c1cccs1 ZINC000002158758 555750650 /nfs/dbraw/zinc/75/06/50/555750650.db2.gz QLXWNIJQOLNIHK-UHFFFAOYSA-N 0 0 445.594 6.823 50 0 IKAARN O=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000002161920 555750844 /nfs/dbraw/zinc/75/08/44/555750844.db2.gz RNDJZTAGKVWUHQ-GRSHGNNSSA-N 0 0 448.302 6.629 50 0 IKAARN Cc1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 ZINC000002161964 555750958 /nfs/dbraw/zinc/75/09/58/555750958.db2.gz CFCSCRWSITVFBI-UCQKPKSFSA-N 0 0 433.504 5.950 50 0 IKAARN CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002165211 555751507 /nfs/dbraw/zinc/75/15/07/555751507.db2.gz SXMMECFUERSECR-YBEGLDIGSA-N 0 0 438.730 5.742 50 0 IKAARN CCCCC(=O)N(c1nc(-c2ccccc2)c(CCC)s1)c1ccc(Cl)c(Cl)c1 ZINC000002170759 555751847 /nfs/dbraw/zinc/75/18/47/555751847.db2.gz TXJGHOPOATXERQ-UHFFFAOYSA-N 0 0 447.431 7.924 50 0 IKAARN Clc1cccc(SCc2nc3ccccc3nc2CSc2cccc(Cl)c2)c1 ZINC000002171283 555752099 /nfs/dbraw/zinc/75/20/99/555752099.db2.gz WMFMWEJWAMMZDP-UHFFFAOYSA-N 0 0 443.424 7.521 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)(c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000002177294 555752389 /nfs/dbraw/zinc/75/23/89/555752389.db2.gz MHIKHQCDLHOZJB-VIZCGCQYSA-N 0 0 429.519 5.422 50 0 IKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002177493 555752656 /nfs/dbraw/zinc/75/26/56/555752656.db2.gz MVOPESAGXIYHJG-OVVICAPSSA-N 0 0 436.382 7.111 50 0 IKAARN O=c1c2cc(-c3ccccc3)sc2nc(SCc2ccc(F)cc2)n1-c1ccccc1 ZINC000002180910 555753711 /nfs/dbraw/zinc/75/37/11/555753711.db2.gz OCMLVKJDIWBFJZ-UHFFFAOYSA-N 0 0 444.556 6.546 50 0 IKAARN CCN(CC)c1nnc(-c2ccccc2)c2c1nn(-c1ccc(C)cc1)c2-c1ccccc1 ZINC000002181187 555753737 /nfs/dbraw/zinc/75/37/37/555753737.db2.gz VYUBAVAKOBBKFH-UHFFFAOYSA-N 0 0 433.559 6.304 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002180905 555753760 /nfs/dbraw/zinc/75/37/60/555753760.db2.gz WFCVVNJGJQACPV-UHFFFAOYSA-N 0 0 429.394 5.919 50 0 IKAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000002181181 555753793 /nfs/dbraw/zinc/75/37/93/555753793.db2.gz JDHMWTFDIALPNK-UHFFFAOYSA-N 0 0 430.891 5.600 50 0 IKAARN Cc1c(C)c(C)c(Cn2nnc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c(C)c1C ZINC000002182281 555753928 /nfs/dbraw/zinc/75/39/28/555753928.db2.gz FRNAGHRLZSOQIX-UHFFFAOYSA-N 0 0 437.543 5.331 50 0 IKAARN COc1ccc(-n2c(=O)c3c(nc2SC(C)C)-c2ccccc2CC32CCCC2)cc1 ZINC000002181962 555753951 /nfs/dbraw/zinc/75/39/51/555753951.db2.gz QEIWXZBMDUSQHN-UHFFFAOYSA-N 0 0 432.589 5.777 50 0 IKAARN O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1-c1ccccc1)CCCC3 ZINC000002181969 555753963 /nfs/dbraw/zinc/75/39/63/555753963.db2.gz SYXZPSAFASTMDR-UHFFFAOYSA-N 0 0 434.586 5.497 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000002182392 555754029 /nfs/dbraw/zinc/75/40/29/555754029.db2.gz BRTFFAFGGXZTCI-QWHCGFSZSA-N 0 0 434.989 5.057 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002182448 555754324 /nfs/dbraw/zinc/75/43/24/555754324.db2.gz RNMMLLYDJZUBCR-UHFFFAOYSA-N 0 0 444.531 5.665 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(CC)cc1 ZINC000002184817 555754914 /nfs/dbraw/zinc/75/49/14/555754914.db2.gz SNUWYHPIYIGPSU-UHFFFAOYSA-N 0 0 425.550 5.396 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000002186056 555755201 /nfs/dbraw/zinc/75/52/01/555755201.db2.gz IHQIIBUFUNXTEL-RUZDIDTESA-N 0 0 445.975 5.967 50 0 IKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2cccc4ccccc42)CCCC3)cc1 ZINC000002186016 555755249 /nfs/dbraw/zinc/75/52/49/555755249.db2.gz LJMUYCBLCSOJCR-UHFFFAOYSA-N 0 0 440.568 6.593 50 0 IKAARN O=C1c2ccccc2C(=O)N1c1cccc(-c2csc(Nc3cccc4ccccc43)n2)c1 ZINC000002186927 555755623 /nfs/dbraw/zinc/75/56/23/555755623.db2.gz QILBMSIHMCIGMZ-UHFFFAOYSA-N 0 0 447.519 6.508 50 0 IKAARN Cc1cc(=O)oc2c(C)c3oc(C(=O)c4ccc(Cl)cc4)c(-c4ccccc4)c3cc12 ZINC000002186366 555755638 /nfs/dbraw/zinc/75/56/38/555755638.db2.gz FBYZZPVBSSKXAB-UHFFFAOYSA-N 0 0 428.871 6.707 50 0 biogenic IKAARN CCCSc1nnc2c(n1)O[C@@H](c1cccc(Br)c1)Nc1ccccc1-2 ZINC000002187970 555755841 /nfs/dbraw/zinc/75/58/41/555755841.db2.gz FHJXOMSTPAACFZ-KRWDZBQOSA-N 0 0 429.343 5.306 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2cccc(C(=O)NCc3ccc(C(C)C)cc3)c2)cc1 ZINC000002190177 555756302 /nfs/dbraw/zinc/75/63/02/555756302.db2.gz NMIOUYXBTZBRFU-UHFFFAOYSA-N 0 0 428.576 5.793 50 0 IKAARN Cc1ccccc1N(CCN(C(=O)c1ccco1)c1ccccc1C)C(=O)c1ccco1 ZINC000002193478 555756786 /nfs/dbraw/zinc/75/67/86/555756786.db2.gz QOECZRLNUVJQLW-UHFFFAOYSA-N 0 0 428.488 5.483 50 0 IKAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000002194558 555756818 /nfs/dbraw/zinc/75/68/18/555756818.db2.gz OLRRUNXTNYVQHS-UHFFFAOYSA-N 0 0 437.362 5.749 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 ZINC000002203495 555757430 /nfs/dbraw/zinc/75/74/30/555757430.db2.gz BRVINROMIDSTSF-UHFFFAOYSA-N 0 0 444.560 5.236 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(F)cc1 ZINC000002210560 555758216 /nfs/dbraw/zinc/75/82/16/555758216.db2.gz OLTXSVVNGLXKPJ-UHFFFAOYSA-N 0 0 443.862 5.553 50 0 IKAARN Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccc(Cl)c2)cc1 ZINC000002210980 555758323 /nfs/dbraw/zinc/75/83/23/555758323.db2.gz HCWZUNFKDWVQDT-VMPITWQZSA-N 0 0 438.383 7.047 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(Br)cc1 ZINC000002211595 555758334 /nfs/dbraw/zinc/75/83/34/555758334.db2.gz VTVMVEDONUZBKA-UHFFFAOYSA-N 0 0 445.675 6.302 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000002214002 555758698 /nfs/dbraw/zinc/75/86/98/555758698.db2.gz ZOPGEBDCMXSBNF-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002217853 555758948 /nfs/dbraw/zinc/75/89/48/555758948.db2.gz KDAYIORWXCSPEI-UHFFFAOYSA-N 0 0 448.979 5.881 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000002225162 555759642 /nfs/dbraw/zinc/75/96/42/555759642.db2.gz LDTCTESSDXYSPT-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc2ccccc21 ZINC000002226076 555759925 /nfs/dbraw/zinc/75/99/25/555759925.db2.gz ATPTXRGMGQIRJG-UHFFFAOYSA-N 0 0 441.487 5.914 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000002237282 555761233 /nfs/dbraw/zinc/76/12/33/555761233.db2.gz SULBQXSQLGJCKC-QGZVFWFLSA-N 0 0 441.405 5.615 50 0 IKAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)c1ccccc1 ZINC000002240023 555761459 /nfs/dbraw/zinc/76/14/59/555761459.db2.gz LCOXBOJFNYBBNF-UHFFFAOYSA-N 0 0 446.597 5.360 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1Cl ZINC000002245411 555761901 /nfs/dbraw/zinc/76/19/01/555761901.db2.gz LQGKXCONNOXIBI-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2C)sc(C)c1-c1ccc(OC)c(OC)c1 ZINC000002249505 555762176 /nfs/dbraw/zinc/76/21/76/555762176.db2.gz FCWCHJKICBACQQ-UHFFFAOYSA-N 0 0 439.533 5.478 50 0 IKAARN COc1cc2cc(C(=O)N[C@@H](C)c3ccccc3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000002252134 555762503 /nfs/dbraw/zinc/76/25/03/555762503.db2.gz NCQYZTZMUAYSNA-IBGZPJMESA-N 0 0 425.528 6.323 50 0 IKAARN Fc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1ccccc1Cl ZINC000002253760 555762529 /nfs/dbraw/zinc/76/25/29/555762529.db2.gz NGXMDLYUDFURFW-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002252978 555762590 /nfs/dbraw/zinc/76/25/90/555762590.db2.gz HVIDBYNCYALGIW-FCHUYYIVSA-N 0 0 432.936 5.514 50 0 IKAARN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c(C)c1 ZINC000002256429 555762794 /nfs/dbraw/zinc/76/27/94/555762794.db2.gz AXBKTRFIFVUMEB-MUUNZHRXSA-N 0 0 443.543 5.806 50 0 IKAARN Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 ZINC000002261497 555763500 /nfs/dbraw/zinc/76/35/00/555763500.db2.gz XDWGSRQPKPGZCB-RFBIWTDZSA-N 0 0 428.626 7.653 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2cccc(F)c2)n1-c1ccc(Cl)cc1)CCC3 ZINC000002260110 555763543 /nfs/dbraw/zinc/76/35/43/555763543.db2.gz VUSLAZCWAZUYJD-UHFFFAOYSA-N 0 0 442.968 6.021 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002260057 555763545 /nfs/dbraw/zinc/76/35/45/555763545.db2.gz UYFPFBUFPYGTLU-UHFFFAOYSA-N 0 0 427.895 5.121 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccccc3c2=O)cc1 ZINC000002263294 555763797 /nfs/dbraw/zinc/76/37/97/555763797.db2.gz RJCWRACFKHDYSD-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 ZINC000002270588 555764104 /nfs/dbraw/zinc/76/41/04/555764104.db2.gz ZJUYYCNUDDVVTD-INIZCTEOSA-N 0 0 426.651 6.409 50 0 IKAARN CCOc1cccc2c1NC(C)(C)c1sn(-c3ccc(Br)cc3)c(=S)c1-2 ZINC000002268265 555764146 /nfs/dbraw/zinc/76/41/46/555764146.db2.gz DHXQMPUMGVGTHS-UHFFFAOYSA-N 0 0 447.423 6.757 50 0 IKAARN O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccccc1 ZINC000002271446 555764439 /nfs/dbraw/zinc/76/44/39/555764439.db2.gz YJIPAZZRFCUOGY-CQSZACIVSA-N 0 0 446.083 5.897 50 0 IKAARN CCCOc1ccccc1/N=c1\ssc2c1-c1cc(OCC)ccc1NC2(C)C ZINC000002282841 555765263 /nfs/dbraw/zinc/76/52/63/555765263.db2.gz AUUMJSITYQIWJT-GYHWCHFESA-N 0 0 426.607 6.557 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000002285272 555765554 /nfs/dbraw/zinc/76/55/54/555765554.db2.gz ICIVOAGCRDTNDW-UHFFFAOYSA-N 0 0 426.516 6.560 50 0 IKAARN C[C@]1(c2ccccc2)CC(c2ccccc2)=C[C@](O)(c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000002287858 555765574 /nfs/dbraw/zinc/76/55/74/555765574.db2.gz WXOFSVGQZXAZRK-IWWXRALLSA-N 0 0 444.574 6.819 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SCC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 ZINC000002295550 555766276 /nfs/dbraw/zinc/76/62/76/555766276.db2.gz VULPXZGTVYSELM-HSZRJFAPSA-N 0 0 444.622 5.445 50 0 IKAARN CCN(CC)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N(CC)CC)cc3)n2)cc1 ZINC000002292308 555766303 /nfs/dbraw/zinc/76/63/03/555766303.db2.gz NMUILEBEYVXUPA-UHFFFAOYSA-N 0 0 439.995 5.705 50 0 IKAARN COC(=O)c1ccc(Oc2nc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000002300602 555766617 /nfs/dbraw/zinc/76/66/17/555766617.db2.gz DPBVJLBFUZSFAR-UHFFFAOYSA-N 0 0 435.277 5.638 50 0 IKAARN CCc1ccc(NC2=C[C@H](c3cccc4ccccc43)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002304598 555767145 /nfs/dbraw/zinc/76/71/45/555767145.db2.gz FNJDCWPDOZTSSX-GDLZYMKVSA-N 0 0 432.567 7.049 50 0 IKAARN COc1cc2cc(C(=O)Nc3cc(C)ccc3C)cc(-c3ccc(C)cc3)c2cc1OC ZINC000002306426 555767245 /nfs/dbraw/zinc/76/72/45/555767245.db2.gz AJHLBSDUEJSEEI-UHFFFAOYSA-N 0 0 425.528 6.702 50 0 IKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 ZINC000002307285 555767574 /nfs/dbraw/zinc/76/75/74/555767574.db2.gz ZVIOTJWWILRXAX-UYAOXDASSA-N 0 0 428.458 5.667 50 0 IKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000002307284 555767623 /nfs/dbraw/zinc/76/76/23/555767623.db2.gz ZVIOTJWWILRXAX-AZUAARDMSA-N 0 0 428.458 5.667 50 0 IKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000002315973 555767987 /nfs/dbraw/zinc/76/79/87/555767987.db2.gz NDHUVYIIKPORQQ-UHFFFAOYSA-N 0 0 441.314 6.436 50 0 IKAARN CCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002318673 555768242 /nfs/dbraw/zinc/76/82/42/555768242.db2.gz GSSNXNGPJPMFEA-UHFFFAOYSA-N 0 0 437.352 6.020 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc2ccccc2o1 ZINC000002319918 555768254 /nfs/dbraw/zinc/76/82/54/555768254.db2.gz GAWQUHAQUNYXDW-UHFFFAOYSA-N 0 0 429.526 5.836 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 ZINC000002325988 555768951 /nfs/dbraw/zinc/76/89/51/555768951.db2.gz WQVVHMJCEGPKFC-UHFFFAOYSA-N 0 0 432.524 5.367 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2F)cc1 ZINC000002332176 555769213 /nfs/dbraw/zinc/76/92/13/555769213.db2.gz QKBYREZHFLPGHH-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN C[C@H](c1ccccc1)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)C(=O)c1ccco1 ZINC000002341445 555770129 /nfs/dbraw/zinc/77/01/29/555770129.db2.gz XQPMDJXRXKQOOF-DNRSQYFGSA-N 0 0 445.603 6.862 50 0 IKAARN COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1Cl ZINC000002340102 555770156 /nfs/dbraw/zinc/77/01/56/555770156.db2.gz NRNGTRNRRJTMSP-UHFFFAOYSA-N 0 0 444.318 5.363 50 0 IKAARN CCOc1ccc(Oc2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000002345304 555770556 /nfs/dbraw/zinc/77/05/56/555770556.db2.gz NMUSPQDVUKSQAA-UHFFFAOYSA-N 0 0 436.891 6.525 50 0 IKAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002349493 555770786 /nfs/dbraw/zinc/77/07/86/555770786.db2.gz MTCUIMBNALQYFC-UHFFFAOYSA-N 0 0 431.565 5.049 50 0 IKAARN O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002348030 555770925 /nfs/dbraw/zinc/77/09/25/555770925.db2.gz BLTGQTLLCPYBNE-UHFFFAOYSA-N 0 0 442.331 5.006 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000002352289 555771017 /nfs/dbraw/zinc/77/10/17/555771017.db2.gz JGVOLBROTWJFMR-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000002354481 555771406 /nfs/dbraw/zinc/77/14/06/555771406.db2.gz DNOCEGSLBAMVAA-LRDDRELGSA-N 0 0 430.397 5.722 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC000002353756 555771493 /nfs/dbraw/zinc/77/14/93/555771493.db2.gz FYGBVAZJOKCNGE-UHFFFAOYSA-N 0 0 443.576 5.358 50 0 IKAARN Fc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 ZINC000002358473 555771706 /nfs/dbraw/zinc/77/17/06/555771706.db2.gz SZFPBVITFZGGCF-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1C ZINC000002356712 555771739 /nfs/dbraw/zinc/77/17/39/555771739.db2.gz UZRDMIXNYOUYDC-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN CCCCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002361568 555772062 /nfs/dbraw/zinc/77/20/62/555772062.db2.gz GVUSNFDCNULYHA-UHFFFAOYSA-N 0 0 436.665 6.751 50 0 biogenic IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1 ZINC000002359639 555772102 /nfs/dbraw/zinc/77/21/02/555772102.db2.gz URENKQWXFIBFBV-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)c(Cl)c4)c23)cc1 ZINC000002366562 555772668 /nfs/dbraw/zinc/77/26/68/555772668.db2.gz ABCOXUYJYKHIOB-UHFFFAOYSA-N 0 0 443.956 6.190 50 0 IKAARN COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002371684 555773251 /nfs/dbraw/zinc/77/32/51/555773251.db2.gz QWXZWOOMVVGCJP-UHFFFAOYSA-N 0 0 447.579 6.672 50 0 IKAARN CC1(C)Cc2nc3nc(SCc4ccc(F)cc4)n(-c4ccccc4)c(=O)c3cc2CO1 ZINC000002376051 555773704 /nfs/dbraw/zinc/77/37/04/555773704.db2.gz UCTXQIUWEFVTRH-UHFFFAOYSA-N 0 0 447.535 5.063 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000002378831 555773980 /nfs/dbraw/zinc/77/39/80/555773980.db2.gz MNLBVRSUVAKVTG-UHFFFAOYSA-N 0 0 436.027 5.831 50 0 IKAARN CCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Cl)cc21 ZINC000002390231 555775273 /nfs/dbraw/zinc/77/52/73/555775273.db2.gz PSNQAXWQISPIFV-UHFFFAOYSA-N 0 0 432.745 6.665 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 ZINC000002403499 555776121 /nfs/dbraw/zinc/77/61/21/555776121.db2.gz JBHDIVBXQPLIBB-UHFFFAOYSA-N 0 0 447.564 5.055 50 0 IKAARN Cc1ccc(C)c(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000002400290 555776147 /nfs/dbraw/zinc/77/61/47/555776147.db2.gz BPWNXFBSPYVITF-UHFFFAOYSA-N 0 0 430.617 5.648 50 0 IKAARN C[C@@H]1CCc2c(c3ccccc3n2C(=O)CSc2nnc3sc4ccccc4n23)C1 ZINC000002405260 555776427 /nfs/dbraw/zinc/77/64/27/555776427.db2.gz RLDSOLCONSEVBU-CQSZACIVSA-N 0 0 432.574 5.456 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCCOC(C)C)C3=O ZINC000002415746 555777116 /nfs/dbraw/zinc/77/71/16/555777116.db2.gz ONPSBBRAOYBSGM-OAQYLSRUSA-N 0 0 425.912 5.115 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000002415047 555777146 /nfs/dbraw/zinc/77/71/46/555777146.db2.gz RQOUFBGHBJNKPB-UHFFFAOYSA-N 0 0 438.578 5.250 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nccs1 ZINC000002422577 555777638 /nfs/dbraw/zinc/77/76/38/555777638.db2.gz MSJVRSSJTIUQDQ-INIZCTEOSA-N 0 0 429.284 5.306 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Br)c(C)c3)cc12 ZINC000002423941 555777697 /nfs/dbraw/zinc/77/76/97/555777697.db2.gz ZGNPITXARNYPBB-UHFFFAOYSA-N 0 0 426.339 5.719 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1C ZINC000002431197 555778356 /nfs/dbraw/zinc/77/83/56/555778356.db2.gz JLTVFZLXGNFKOS-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC000002435822 555778714 /nfs/dbraw/zinc/77/87/14/555778714.db2.gz ONSDAUXCDIKZDH-GOSISDBHSA-N 0 0 443.576 5.574 50 0 IKAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1 ZINC000002433385 555778771 /nfs/dbraw/zinc/77/87/71/555778771.db2.gz YVMUTERMPAYHQY-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000002437106 555778963 /nfs/dbraw/zinc/77/89/63/555778963.db2.gz UZGMISRSEHSSFY-UHFFFAOYSA-N 0 0 448.617 5.576 50 0 IKAARN CCCCc1cc2c(cc1O[C@@H](C)C(=O)OCC)occ(-c1cc3ccccc3o1)c2=O ZINC000002441905 555779444 /nfs/dbraw/zinc/77/94/44/555779444.db2.gz QMDDCCOWOHVQEN-INIZCTEOSA-N 0 0 434.488 5.879 50 0 IKAARN Cc1cc(C)c2oc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)cc(=O)c2c1 ZINC000002442531 555779467 /nfs/dbraw/zinc/77/94/67/555779467.db2.gz CNEITDSFFBMTGC-UHFFFAOYSA-N 0 0 437.451 5.639 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC ZINC000002443056 555779605 /nfs/dbraw/zinc/77/96/05/555779605.db2.gz GLUULVQEWMQKSD-UHFFFAOYSA-N 0 0 438.597 5.392 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccco2)c1 ZINC000002443481 555779696 /nfs/dbraw/zinc/77/96/96/555779696.db2.gz SSBAAGRRQPXQCA-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1 ZINC000002442845 555779703 /nfs/dbraw/zinc/77/97/03/555779703.db2.gz DQYOHYRKKCJJIJ-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002443034 555779740 /nfs/dbraw/zinc/77/97/40/555779740.db2.gz ZRBSWUPBPYIWCW-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000002444784 555780018 /nfs/dbraw/zinc/78/00/18/555780018.db2.gz LKVGMRGOTCGVEF-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN Cc1ccc(C)c(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000002444003 555780035 /nfs/dbraw/zinc/78/00/35/555780035.db2.gz QUCLIYOINHWWKM-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000002444966 555780155 /nfs/dbraw/zinc/78/01/55/555780155.db2.gz ORSZXZLBKSIHJP-UHFFFAOYSA-N 0 0 428.772 6.130 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2Cc2ccco2)c1 ZINC000002444875 555780163 /nfs/dbraw/zinc/78/01/63/555780163.db2.gz MFGPILZUPJDMKC-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN Cc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2Cc2ccco2)c1 ZINC000002446351 555780270 /nfs/dbraw/zinc/78/02/70/555780270.db2.gz KQGVJUDOFBMRMP-UHFFFAOYSA-N 0 0 430.360 6.494 50 0 IKAARN Cc1ccc(OCc2nnc(SCc3ccccc3Cl)n2Cc2ccco2)cc1 ZINC000002445936 555780276 /nfs/dbraw/zinc/78/02/76/555780276.db2.gz LPLVBFSRGZNFQZ-UHFFFAOYSA-N 0 0 425.941 5.753 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(Cl)c1 ZINC000002446274 555780291 /nfs/dbraw/zinc/78/02/91/555780291.db2.gz BIYVQTKUAITGJH-UHFFFAOYSA-N 0 0 443.016 5.781 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002447131 555780619 /nfs/dbraw/zinc/78/06/19/555780619.db2.gz NSLOTBCKOKPPGC-UHFFFAOYSA-N 0 0 427.617 7.141 50 0 IKAARN Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 ZINC000002446854 555780623 /nfs/dbraw/zinc/78/06/23/555780623.db2.gz NTXOZLJXNJHCCW-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2Cl)cc1 ZINC000002448275 555780777 /nfs/dbraw/zinc/78/07/77/555780777.db2.gz AAFZRYDYXKAHOU-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000002448550 555780850 /nfs/dbraw/zinc/78/08/50/555780850.db2.gz WIXFRKRKAPMJMW-UHFFFAOYSA-N 0 0 444.560 5.236 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000002447730 555780890 /nfs/dbraw/zinc/78/08/90/555780890.db2.gz FDSZWCMXTZCFEK-UHFFFAOYSA-N 0 0 428.876 5.051 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc43)nnc2-c2ccco2)cc1 ZINC000002449513 555781069 /nfs/dbraw/zinc/78/10/69/555781069.db2.gz ONEIFAZWFZNPTK-UHFFFAOYSA-N 0 0 440.528 5.720 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002449673 555781096 /nfs/dbraw/zinc/78/10/96/555781096.db2.gz ZENKZVGSUOSJJW-DNQXCXABSA-N 0 0 442.519 5.352 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1Cl ZINC000002449330 555781100 /nfs/dbraw/zinc/78/11/00/555781100.db2.gz HYRYBVSNWUGUMQ-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002449670 555781114 /nfs/dbraw/zinc/78/11/14/555781114.db2.gz ZENKZVGSUOSJJW-ZEQRLZLVSA-N 0 0 442.519 5.352 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 ZINC000002449409 555781120 /nfs/dbraw/zinc/78/11/20/555781120.db2.gz HXPSFRMVYDJMTP-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 ZINC000002450259 555781346 /nfs/dbraw/zinc/78/13/46/555781346.db2.gz YBWPIFLEQNAGIR-UHFFFAOYSA-N 0 0 428.989 5.692 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000002450210 555781366 /nfs/dbraw/zinc/78/13/66/555781366.db2.gz FECNFCDMLFKNRC-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002450682 555781404 /nfs/dbraw/zinc/78/14/04/555781404.db2.gz ORIOULGXXIUSMK-UHFFFAOYSA-N 0 0 436.625 6.117 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000002450614 555781422 /nfs/dbraw/zinc/78/14/22/555781422.db2.gz QNVRSBDRNBMZEM-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3cccc4ccccc43)n2-c2ccccc2)cc1 ZINC000002451037 555781684 /nfs/dbraw/zinc/78/16/84/555781684.db2.gz GYUROSHFJIAPCL-UHFFFAOYSA-N 0 0 449.623 7.677 50 0 IKAARN Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002450960 555781731 /nfs/dbraw/zinc/78/17/31/555781731.db2.gz YSKHWQREPBNCCS-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2Cc2ccco2)c1 ZINC000002451191 555781766 /nfs/dbraw/zinc/78/17/66/555781766.db2.gz MNPTXEIEJHAHGT-UHFFFAOYSA-N 0 0 446.576 5.551 50 0 IKAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1 ZINC000002451072 555781822 /nfs/dbraw/zinc/78/18/22/555781822.db2.gz VEWFKDDEZDKEHO-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CCOc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2ccc(C)cc2)cc1 ZINC000002452271 555782000 /nfs/dbraw/zinc/78/20/00/555782000.db2.gz JKTKIVFEPKJLFQ-UHFFFAOYSA-N 0 0 429.589 6.551 50 0 IKAARN Clc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 ZINC000002452385 555782003 /nfs/dbraw/zinc/78/20/03/555782003.db2.gz ZHCPHRFGYLWUGV-UHFFFAOYSA-N 0 0 446.790 7.187 50 0 IKAARN O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002452262 555782086 /nfs/dbraw/zinc/78/20/86/555782086.db2.gz VXDBYEDOONMQMV-UHFFFAOYSA-N 0 0 433.298 5.545 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000002453069 555782305 /nfs/dbraw/zinc/78/23/05/555782305.db2.gz ZRZBUKJHAGUXQZ-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000002453073 555782343 /nfs/dbraw/zinc/78/23/43/555782343.db2.gz SKYKIWBQHSQJGD-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 ZINC000002453130 555782354 /nfs/dbraw/zinc/78/23/54/555782354.db2.gz PCSQSTKCZSQATG-UHFFFAOYSA-N 0 0 449.967 5.276 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 ZINC000002453897 555782573 /nfs/dbraw/zinc/78/25/73/555782573.db2.gz WUFXDSVPHKTYNR-UHFFFAOYSA-N 0 0 448.548 5.024 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002494374 555784178 /nfs/dbraw/zinc/78/41/78/555784178.db2.gz RVAJUBYFJPAHKA-UHFFFAOYSA-N 0 0 426.649 6.463 50 0 IKAARN CCCCOc1ccc(NC(=S)N2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000002497416 555784570 /nfs/dbraw/zinc/78/45/70/555784570.db2.gz DASXHPSFAWBMEU-DEOSSOPVSA-N 0 0 433.621 6.219 50 0 IKAARN Cc1ccc(C)c(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)c1 ZINC000002507714 555785076 /nfs/dbraw/zinc/78/50/76/555785076.db2.gz ZUKSXUVIEBLACN-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002509450 555785083 /nfs/dbraw/zinc/78/50/83/555785083.db2.gz VWQIASPGQISLOM-PKTZIBPZSA-N 0 0 448.860 5.422 50 0 IKAARN COc1ccc(C(=O)c2cc(C(=O)c3ccccc3)c3cc(-c4cccs4)ncn23)cc1 ZINC000002532671 555786183 /nfs/dbraw/zinc/78/61/83/555786183.db2.gz QMTNCSJZEXOZCH-UHFFFAOYSA-N 0 0 438.508 5.533 50 0 IKAARN Cc1c2cc(Cl)cc(Br)c2oc(=O)c1-c1cccc(Br)c1 ZINC000002529940 555786189 /nfs/dbraw/zinc/78/61/89/555786189.db2.gz YLPBJFZFZXXAKS-UHFFFAOYSA-N 0 0 428.507 5.947 50 0 IKAARN O=C(C[C@H](c1ccc(Cl)cc1)[C@H]1CCCCCCC1=O)c1ccc(Br)cc1 ZINC000002546819 555786934 /nfs/dbraw/zinc/78/69/34/555786934.db2.gz RYZOGDRCUKCLBX-NHCUHLMSSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CCCCCCC1=O)c1cccc(Cl)c1 ZINC000002546826 555786988 /nfs/dbraw/zinc/78/69/88/555786988.db2.gz JNXAWFVKNDYXBE-UXHICEINSA-N 0 0 437.794 7.543 50 0 IKAARN O=C(C[C@H](c1cccc(Br)c1)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000002546827 555787018 /nfs/dbraw/zinc/78/70/18/555787018.db2.gz OEYRDILRYYMBQV-NHCUHLMSSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(-n2cnc(Cl)c2Cl)cc1 ZINC000002561969 555787664 /nfs/dbraw/zinc/78/76/64/555787664.db2.gz MZZLVVRRWSGYNM-UHFFFAOYSA-N 0 0 431.201 5.722 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1 ZINC000002569891 555787882 /nfs/dbraw/zinc/78/78/82/555787882.db2.gz ZVFQEOPUXVPSLB-UHFFFAOYSA-N 0 0 429.567 7.566 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 ZINC000002582374 555788588 /nfs/dbraw/zinc/78/85/88/555788588.db2.gz KYAPKQVZDDHJJD-UHFFFAOYSA-N 0 0 445.950 7.102 50 0 IKAARN O=c1oc2ccc(Br)cc2c(-c2ccccc2Cl)c1-c1cccc(Cl)c1 ZINC000002583399 555788963 /nfs/dbraw/zinc/78/89/63/555788963.db2.gz RMCUQQFQSSXMGO-UHFFFAOYSA-N 0 0 446.127 7.196 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1Cl ZINC000002590225 555789261 /nfs/dbraw/zinc/78/92/61/555789261.db2.gz IAWMOLZPZPTPBQ-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000002594196 555789510 /nfs/dbraw/zinc/78/95/10/555789510.db2.gz IRTFPKANMYWDMR-UHFFFAOYSA-N 0 0 440.465 6.137 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC000002597931 555789790 /nfs/dbraw/zinc/78/97/90/555789790.db2.gz JGFDGLNDNJCVAG-UHFFFAOYSA-N 0 0 442.588 5.392 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000002597974 555789833 /nfs/dbraw/zinc/78/98/33/555789833.db2.gz ZJJZXYXUPCCGMW-UHFFFAOYSA-N 0 0 441.339 5.668 50 0 IKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)s1 ZINC000034670244 555792788 /nfs/dbraw/zinc/79/27/88/555792788.db2.gz KIBMMQMALCBNRH-UHFFFAOYSA-N 0 0 431.602 5.953 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccc(C)cc3)c2Oc2ccccc2)cc1 ZINC000034672296 555793394 /nfs/dbraw/zinc/79/33/94/555793394.db2.gz NGLYFKHLYUXRPR-UHFFFAOYSA-N 0 0 441.531 5.861 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1 ZINC000034672225 555793527 /nfs/dbraw/zinc/79/35/27/555793527.db2.gz BXRORYNMHXLZPO-UHFFFAOYSA-N 0 0 441.531 5.807 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NCc1cccnc1 ZINC000034672441 555793733 /nfs/dbraw/zinc/79/37/33/555793733.db2.gz VZTVNFQZNVLQAE-UHFFFAOYSA-N 0 0 444.510 5.065 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034675723 555794118 /nfs/dbraw/zinc/79/41/18/555794118.db2.gz MPEWEWMVWOMFAD-UHFFFAOYSA-N 0 0 433.939 5.316 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Cn3c4ncccc4nc3C(F)(F)F)cc2)cc1F ZINC000046159027 555794397 /nfs/dbraw/zinc/79/43/97/555794397.db2.gz KHTKUHJMZJDCKM-UHFFFAOYSA-N 0 0 428.389 5.198 50 0 IKAARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)c1nc3ccccc3nc12 ZINC000002666562 555796516 /nfs/dbraw/zinc/79/65/16/555796516.db2.gz KXQIQCTYFATIJT-PKTZIBPZSA-N 0 0 425.454 5.616 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Br)cc1 ZINC000002669383 555797160 /nfs/dbraw/zinc/79/71/60/555797160.db2.gz RXHLQIIWVPYTCG-UHFFFAOYSA-N 0 0 441.272 5.768 50 0 IKAARN Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002677833 555797732 /nfs/dbraw/zinc/79/77/32/555797732.db2.gz PPZXBMJIONZCEU-KGENOOAVSA-N 0 0 425.315 5.711 50 0 IKAARN Cc1sc2nc(SCc3cccc4ccccc43)n(-c3ccccc3)c(=O)c2c1C ZINC000002680167 555798118 /nfs/dbraw/zinc/79/81/18/555798118.db2.gz BQBQBOWFYQOVRP-UHFFFAOYSA-N 0 0 428.582 6.510 50 0 IKAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCC(C)CC3)nc(Oc3ccccc3)c2C1 ZINC000034679064 555798479 /nfs/dbraw/zinc/79/84/79/555798479.db2.gz GLZZHDHZZPTUBU-UHFFFAOYSA-N 0 0 442.563 5.012 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc(F)cc2)CCCC4)cc1 ZINC000002698963 555800131 /nfs/dbraw/zinc/80/01/31/555800131.db2.gz OKUSJUDJDTWFJO-UHFFFAOYSA-N 0 0 436.577 6.066 50 0 IKAARN COc1cccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1 ZINC000002698965 555800155 /nfs/dbraw/zinc/80/01/55/555800155.db2.gz QGXOKHZLDUWYKX-UHFFFAOYSA-N 0 0 448.613 5.935 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000002707084 555800713 /nfs/dbraw/zinc/80/07/13/555800713.db2.gz SRIIAPDOBHCPLD-CCEZHUSRSA-N 0 0 448.544 5.446 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccc(F)cc1 ZINC000002704253 555800815 /nfs/dbraw/zinc/80/08/15/555800815.db2.gz DZSVSTJAWZYEDK-NRFANRHFSA-N 0 0 435.838 5.037 50 0 IKAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)c1C ZINC000002707261 555801096 /nfs/dbraw/zinc/80/10/96/555801096.db2.gz YZRHBZOSJRFCEZ-SDNWHVSQSA-N 0 0 443.565 5.359 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)NCc3cccnc3)c2)cc1 ZINC000034686512 555801480 /nfs/dbraw/zinc/80/14/80/555801480.db2.gz KCPHHPTUPLGFRG-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN CCOC(=O)c1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000002729131 555803371 /nfs/dbraw/zinc/80/33/71/555803371.db2.gz FMDDXHKAJPALHQ-SFHVURJKSA-N 0 0 447.600 6.210 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002735478 555805929 /nfs/dbraw/zinc/80/59/29/555805929.db2.gz XRSHZKAJYLXSJW-CYBMUJFWSA-N 0 0 437.508 5.539 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc43)sc2c1 ZINC000002736602 555806200 /nfs/dbraw/zinc/80/62/00/555806200.db2.gz YITJGUFQXGICRL-UHFFFAOYSA-N 0 0 429.932 6.726 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)c1 ZINC000002736589 555806291 /nfs/dbraw/zinc/80/62/91/555806291.db2.gz QTYJIQDCOAIBRM-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002736879 555806496 /nfs/dbraw/zinc/80/64/96/555806496.db2.gz FWEBRHMMNYQRTA-UHFFFAOYSA-N 0 0 441.943 6.931 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(=O)OC(C)C)c3ccccc3n2)o1 ZINC000002737180 555806780 /nfs/dbraw/zinc/80/67/80/555806780.db2.gz BFNRSNQQBVMDEI-UHFFFAOYSA-N 0 0 448.544 6.299 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccco3)nc3ccccc31)C[C@H](C)CC2 ZINC000002738410 555806861 /nfs/dbraw/zinc/80/68/61/555806861.db2.gz SXBMRKLUHULRMU-CQSZACIVSA-N 0 0 446.528 5.720 50 0 IKAARN CCn1c(CC(C)C)nnc1Sc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000002739598 555807058 /nfs/dbraw/zinc/80/70/58/555807058.db2.gz DPPVKZDTSMTKKD-UHFFFAOYSA-N 0 0 438.984 5.810 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCCC2 ZINC000002740659 555807388 /nfs/dbraw/zinc/80/73/88/555807388.db2.gz VZXFPIGPQXMSPW-UHFFFAOYSA-N 0 0 448.009 6.623 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1cccc3ccccc31)Nc1ccccc1-2 ZINC000002742049 555807394 /nfs/dbraw/zinc/80/73/94/555807394.db2.gz UAUAYLLYHBVPJG-HSZRJFAPSA-N 0 0 428.561 6.477 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000002741647 555807453 /nfs/dbraw/zinc/80/74/53/555807453.db2.gz OQQIQNYGQUKWIE-HNNXBMFYSA-N 0 0 435.372 5.368 50 0 IKAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1c(F)c(F)c(F)c(F)c1F)C[C@H](C)CC2 ZINC000002742158 555807655 /nfs/dbraw/zinc/80/76/55/555807655.db2.gz MLISFKPMSWVNEE-MRVPVSSYSA-N 0 0 447.425 5.386 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 ZINC000002742982 555807673 /nfs/dbraw/zinc/80/76/73/555807673.db2.gz QOUCQXFPQZKCTL-LJQANCHMSA-N 0 0 447.391 6.631 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000002743572 555807714 /nfs/dbraw/zinc/80/77/14/555807714.db2.gz SPTHIMNPMQVZNE-UHFFFAOYSA-N 0 0 447.459 5.454 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@@H](CC)C2 ZINC000002744813 555808241 /nfs/dbraw/zinc/80/82/41/555808241.db2.gz NBXPQDNCBMZNRV-MRVPVSSYSA-N 0 0 447.425 5.388 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1cccc(C(=O)Nc2c(CC)cccc2CC)c1 ZINC000002745998 555808856 /nfs/dbraw/zinc/80/88/56/555808856.db2.gz KUOCHFPOMDBZKD-UHFFFAOYSA-N 0 0 428.576 6.441 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)n2)c(C)c1 ZINC000002748229 555809696 /nfs/dbraw/zinc/80/96/96/555809696.db2.gz KPSIGYNSERYEBN-HSZRJFAPSA-N 0 0 430.598 6.899 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n2)cc1 ZINC000002750821 555810006 /nfs/dbraw/zinc/81/00/06/555810006.db2.gz PCNGSAYMSIRGTE-UHFFFAOYSA-N 0 0 440.852 7.135 50 0 IKAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000034694958 555810062 /nfs/dbraw/zinc/81/00/62/555810062.db2.gz ZTRBXDQAJTZOCQ-JOCHJYFZSA-N 0 0 443.330 5.098 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002751624 555810321 /nfs/dbraw/zinc/81/03/21/555810321.db2.gz GWLMEGNZVAMQAV-QGZVFWFLSA-N 0 0 449.381 6.960 50 0 IKAARN COc1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc(OC)c1OC ZINC000002750855 555810416 /nfs/dbraw/zinc/81/04/16/555810416.db2.gz NATJCFPJZFBFAK-UHFFFAOYSA-N 0 0 443.499 5.697 50 0 IKAARN CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](c2ccccc2)C3)cc1 ZINC000002752500 555810611 /nfs/dbraw/zinc/81/06/11/555810611.db2.gz QVOFWBKHTGRAQB-LJQANCHMSA-N 0 0 449.572 5.848 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc2c1CCCCCC2 ZINC000002752287 555810667 /nfs/dbraw/zinc/81/06/67/555810667.db2.gz RROOBXFGZZDWEA-UHFFFAOYSA-N 0 0 429.582 5.871 50 0 IKAARN CCCCOc1c(Cl)cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OC ZINC000002753021 555810695 /nfs/dbraw/zinc/81/06/95/555810695.db2.gz ZTHXKOLPIMZBEF-STZFKDTASA-N 0 0 435.907 6.025 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 ZINC000002755765 555811123 /nfs/dbraw/zinc/81/11/23/555811123.db2.gz YFHKPBDCWCKRHM-UHFFFAOYSA-N 0 0 448.626 5.211 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000002756158 555811174 /nfs/dbraw/zinc/81/11/74/555811174.db2.gz QPMSAPKLSVYSHD-UHFFFAOYSA-N 0 0 432.483 5.530 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccc(F)cc1 ZINC000002757288 555811548 /nfs/dbraw/zinc/81/15/48/555811548.db2.gz HECJKYYOLGUSPC-UHFFFAOYSA-N 0 0 440.496 5.185 50 0 IKAARN CCCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)c1ccc(C)cc1 ZINC000002759753 555812124 /nfs/dbraw/zinc/81/21/24/555812124.db2.gz XEKPYLSQMBQKHN-UHFFFAOYSA-N 0 0 429.541 6.696 50 0 IKAARN C[C@H](NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)c1ccccc1 ZINC000034679975 555812769 /nfs/dbraw/zinc/81/27/69/555812769.db2.gz FXXCACPQGBXIQC-IBGZPJMESA-N 0 0 430.523 5.189 50 0 IKAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000034680014 555813143 /nfs/dbraw/zinc/81/31/43/555813143.db2.gz AMMIYLMKVIVCQC-UHFFFAOYSA-N 0 0 438.930 5.395 50 0 IKAARN Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000034680112 555813173 /nfs/dbraw/zinc/81/31/73/555813173.db2.gz GBFLAJUJRQNDMH-UHFFFAOYSA-N 0 0 426.560 5.139 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2[C@@H](C)c2ccccc2)s1 ZINC000034680255 555813475 /nfs/dbraw/zinc/81/34/75/555813475.db2.gz YECOLAHJUNDTQD-INIZCTEOSA-N 0 0 442.506 6.569 50 0 IKAARN CC(C)Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)cc1 ZINC000002766934 555813984 /nfs/dbraw/zinc/81/39/84/555813984.db2.gz SLWDKJXWVDWQAO-HHHXNRCGSA-N 0 0 434.583 6.908 50 0 IKAARN CC(C)Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)cc1 ZINC000002766933 555814007 /nfs/dbraw/zinc/81/40/07/555814007.db2.gz SLWDKJXWVDWQAO-MHZLTWQESA-N 0 0 434.583 6.908 50 0 IKAARN CC[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)Nc1cc(C)on1 ZINC000002768429 555814486 /nfs/dbraw/zinc/81/44/86/555814486.db2.gz RPLUZPPVQKSEJN-OAQYLSRUSA-N 0 0 430.533 5.616 50 0 IKAARN Cc1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C(N)=O)c1-c1ccccc1 ZINC000002770199 555815328 /nfs/dbraw/zinc/81/53/28/555815328.db2.gz NNNMEHDASCTDBV-UHFFFAOYSA-N 0 0 428.941 5.272 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@H](CC)C2 ZINC000002783305 555819849 /nfs/dbraw/zinc/81/98/49/555819849.db2.gz RNGKZPYJHVGDNU-PXNSSMCTSA-N 0 0 443.609 5.853 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3ccccc3OCc3cc(F)ccc3F)n2)cc1 ZINC000034714386 555821566 /nfs/dbraw/zinc/82/15/66/555821566.db2.gz MTRPRZISCVYKNM-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(C)=O)CC2)C(=O)Nc1ccc(F)cc1 ZINC000034708450 555823081 /nfs/dbraw/zinc/82/30/81/555823081.db2.gz NFUGKSYYCOZXKQ-UIOOFZCWSA-N 0 0 446.522 5.116 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1 ZINC000002798640 555823453 /nfs/dbraw/zinc/82/34/53/555823453.db2.gz XNDMSLBURWBHHU-HNNXBMFYSA-N 0 0 431.483 5.899 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000002798825 555823463 /nfs/dbraw/zinc/82/34/63/555823463.db2.gz DUAJWTSLDNWIEL-HNNXBMFYSA-N 0 0 445.510 6.405 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000002798824 555823470 /nfs/dbraw/zinc/82/34/70/555823470.db2.gz DUAJWTSLDNWIEL-OAHLLOKOSA-N 0 0 445.510 6.405 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1 ZINC000002798639 555823513 /nfs/dbraw/zinc/82/35/13/555823513.db2.gz XNDMSLBURWBHHU-OAHLLOKOSA-N 0 0 431.483 5.899 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002799574 555823815 /nfs/dbraw/zinc/82/38/15/555823815.db2.gz WSFDSKGUCKBAPV-CQSZACIVSA-N 0 0 447.482 5.680 50 0 IKAARN O=C(NCCc1ccccn1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2)n1 ZINC000034711875 555824825 /nfs/dbraw/zinc/82/48/25/555824825.db2.gz BXCXUQHTLOAWFS-UHFFFAOYSA-N 0 0 449.963 5.410 50 0 IKAARN COc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1cccc(F)c1 ZINC000034712378 555825510 /nfs/dbraw/zinc/82/55/10/555825510.db2.gz GPENWTGYTMLUGT-UHFFFAOYSA-N 0 0 438.480 5.060 50 0 IKAARN COc1cc(-c2nc(C(=O)NCc3ccccc3)cs2)ccc1OCc1cccc(F)c1 ZINC000034712379 555825524 /nfs/dbraw/zinc/82/55/24/555825524.db2.gz WJQTURPRGSYMMX-UHFFFAOYSA-N 0 0 448.519 5.467 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2cccc(OCc3ccccc3F)c2)n1 ZINC000034712662 555825762 /nfs/dbraw/zinc/82/57/62/555825762.db2.gz OKTPFDXWDCNCQD-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1cccc(COc2cccc(-c3nc(C(=O)NCc4ccc(F)cc4)cs3)c2)c1 ZINC000034712818 555825780 /nfs/dbraw/zinc/82/57/80/555825780.db2.gz QXIZZLFBNGDRAU-UHFFFAOYSA-N 0 0 432.520 5.767 50 0 IKAARN COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1c(F)cccc1Cl ZINC000034712507 555825828 /nfs/dbraw/zinc/82/58/28/555825828.db2.gz WAUGFCWEKIITAD-UHFFFAOYSA-N 0 0 434.920 5.328 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3cccc(OCc4ccc(F)cc4F)c3)n2)cc1 ZINC000034712875 555826092 /nfs/dbraw/zinc/82/60/92/555826092.db2.gz QSPGNQINIOLHAV-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN COCCNC(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1 ZINC000034713120 555826096 /nfs/dbraw/zinc/82/60/96/555826096.db2.gz DLJXMPLQKVTVED-UHFFFAOYSA-N 0 0 437.348 5.072 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3cccc(OCc4cccc(Cl)c4)c3)n2)c1 ZINC000034712836 555826111 /nfs/dbraw/zinc/82/61/11/555826111.db2.gz GZVWUTNXUPQYIN-UHFFFAOYSA-N 0 0 434.948 6.603 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)n1 ZINC000034712937 555826114 /nfs/dbraw/zinc/82/61/14/555826114.db2.gz BVMNZSSKVZBCHZ-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3cccc(OCc4ccc(Cl)cc4)c3)n2)c1 ZINC000034712959 555826138 /nfs/dbraw/zinc/82/61/38/555826138.db2.gz QEQNTZJMHYYMLL-UHFFFAOYSA-N 0 0 434.948 6.603 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2F)n1 ZINC000034713346 555826339 /nfs/dbraw/zinc/82/63/39/555826339.db2.gz YOLQFOCCSCTWGF-INIZCTEOSA-N 0 0 446.931 5.090 50 0 IKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2F)n1 ZINC000034713355 555826426 /nfs/dbraw/zinc/82/64/26/555826426.db2.gz VBOZCLLSMNLRRR-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002810397 555827219 /nfs/dbraw/zinc/82/72/19/555827219.db2.gz PHIXSADZQCTUAF-UHFFFAOYSA-N 0 0 441.339 5.668 50 0 IKAARN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3cccc4ccccc43)ccc2o1 ZINC000002810570 555827228 /nfs/dbraw/zinc/82/72/28/555827228.db2.gz LUNWXISLGKFMHI-UHFFFAOYSA-N 0 0 437.524 6.083 50 0 IKAARN Brc1ccc2nc(Nc3cccc4ccccc43)nc(-c3ccccc3)c2c1 ZINC000002811565 555827236 /nfs/dbraw/zinc/82/72/36/555827236.db2.gz JPASMDCEXISWRW-UHFFFAOYSA-N 0 0 426.317 6.956 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc5ccccc54)c3)nc2c1 ZINC000002810420 555827240 /nfs/dbraw/zinc/82/72/40/555827240.db2.gz OLFQBQXBMVVXGI-UHFFFAOYSA-N 0 0 437.524 6.083 50 0 IKAARN COC(=O)c1ccc(COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)cc1 ZINC000002811790 555827675 /nfs/dbraw/zinc/82/76/75/555827675.db2.gz ZNGJOBWYZFJIPE-UHFFFAOYSA-N 0 0 428.484 5.366 50 0 IKAARN O=C(OCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000002814096 555828202 /nfs/dbraw/zinc/82/82/02/555828202.db2.gz KMGWOYDPNIVRPJ-UHFFFAOYSA-N 0 0 433.305 5.659 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002814317 555828261 /nfs/dbraw/zinc/82/82/61/555828261.db2.gz NEFHRNZPXGADSW-UHFFFAOYSA-N 0 0 449.963 5.495 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1sc2cc(Br)ccc2c1Cl ZINC000002814494 555828487 /nfs/dbraw/zinc/82/84/87/555828487.db2.gz ZTUAQHWEEUCZNI-UHFFFAOYSA-N 0 0 434.664 6.588 50 0 IKAARN Cc1nnc(N2C(=N)S/C(=C\c3c4ccccc4n(C)c3-c3ccccc3)C2=O)s1 ZINC000002817611 555829030 /nfs/dbraw/zinc/82/90/30/555829030.db2.gz USACARUGMJVSDE-AQEWOIMGSA-N 0 0 431.546 5.061 50 0 IKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000002818812 555829474 /nfs/dbraw/zinc/82/94/74/555829474.db2.gz POWDFBJUKNYOBZ-LLVKDONJSA-N 0 0 437.746 5.632 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC)c(Br)c2)cc1OC ZINC000002821607 555829830 /nfs/dbraw/zinc/82/98/30/555829830.db2.gz QENDOCYJJCQHOQ-UHFFFAOYSA-N 0 0 449.345 5.237 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccccc3OCc3ccc(F)cc3)n2)cc1 ZINC000034713989 555829854 /nfs/dbraw/zinc/82/98/54/555829854.db2.gz CZJSCBVTTLZFJZ-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 ZINC000002824288 555830657 /nfs/dbraw/zinc/83/06/57/555830657.db2.gz JPAOHLRBBXFAOI-UHFFFAOYSA-N 0 0 431.359 5.909 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccccc1-2 ZINC000002825198 555831013 /nfs/dbraw/zinc/83/10/13/555831013.db2.gz SHJBXFNINVGDTK-LJQANCHMSA-N 0 0 438.965 6.049 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)c(Cl)c1 ZINC000002826568 555831406 /nfs/dbraw/zinc/83/14/06/555831406.db2.gz SUHXMYFOSUEPIK-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccc(Cl)s4)ccc32)cc1 ZINC000002830634 555832046 /nfs/dbraw/zinc/83/20/46/555832046.db2.gz CEKWEVUTYVFCJD-UHFFFAOYSA-N 0 0 426.877 5.445 50 0 IKAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000002835250 555832285 /nfs/dbraw/zinc/83/22/85/555832285.db2.gz NRTDMDVWCDCPLI-HNNXBMFYSA-N 0 0 444.988 5.210 50 0 IKAARN CC[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000002835277 555832630 /nfs/dbraw/zinc/83/26/30/555832630.db2.gz AXUKQJYHZPITAZ-NRFANRHFSA-N 0 0 448.979 6.097 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000002835785 555832968 /nfs/dbraw/zinc/83/29/68/555832968.db2.gz UIMXPVZLUSRQRL-UHFFFAOYSA-N 0 0 437.685 6.291 50 0 IKAARN COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000002836549 555833147 /nfs/dbraw/zinc/83/31/47/555833147.db2.gz OFUCERAHVANDGC-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002836597 555833208 /nfs/dbraw/zinc/83/32/08/555833208.db2.gz WZCXFHNFUOONJC-UHFFFAOYSA-N 0 0 442.588 5.790 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(Cc3cccc4ccccc43)n2C)cc1 ZINC000002836684 555833507 /nfs/dbraw/zinc/83/35/07/555833507.db2.gz TZFDDMCWIXUQJZ-KRWDZBQOSA-N 0 0 446.576 5.077 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc43)n2C)cc1 ZINC000002836683 555833529 /nfs/dbraw/zinc/83/35/29/555833529.db2.gz TZFDDMCWIXUQJZ-QGZVFWFLSA-N 0 0 446.576 5.077 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccccc2)cc1C ZINC000002837878 555834066 /nfs/dbraw/zinc/83/40/66/555834066.db2.gz UJJYUKFAZIXGNT-WOJBJXKFSA-N 0 0 434.609 5.433 50 0 IKAARN CCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2C)nc1-c1ccc(OC)cc1 ZINC000002838739 555834335 /nfs/dbraw/zinc/83/43/35/555834335.db2.gz PTMLASPIRUGCPQ-UHFFFAOYSA-N 0 0 442.584 6.597 50 0 IKAARN CC(C)c1cc(I)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000002838363 555834397 /nfs/dbraw/zinc/83/43/97/555834397.db2.gz OTVHBSZORZJGOA-UHFFFAOYSA-N 0 0 445.753 5.799 50 0 IKAARN CCOc1ccc(-c2nc(N(C(=O)CC)c3ccccc3Br)sc2C)cc1 ZINC000002839037 555834615 /nfs/dbraw/zinc/83/46/15/555834615.db2.gz WAAXHDAVFXYMOV-UHFFFAOYSA-N 0 0 445.382 6.354 50 0 IKAARN CCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2Cl)nc1-c1ccccc1 ZINC000002838935 555834640 /nfs/dbraw/zinc/83/46/40/555834640.db2.gz ZEYMUCHPFQYWGL-UHFFFAOYSA-N 0 0 432.976 6.933 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000002838983 555834669 /nfs/dbraw/zinc/83/46/69/555834669.db2.gz SGZNHYVTLYAHRJ-UHFFFAOYSA-N 0 0 426.903 6.512 50 0 IKAARN CCc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1c(C)cc(C)cc1C ZINC000002839410 555834673 /nfs/dbraw/zinc/83/46/73/555834673.db2.gz LPRIDFJVJTXWLQ-UHFFFAOYSA-N 0 0 430.548 5.752 50 0 IKAARN CCCCSc1ccc(NC(=O)COc2ccccc2I)cc1 ZINC000002838936 555834690 /nfs/dbraw/zinc/83/46/90/555834690.db2.gz OKFURFOOSIBSBA-UHFFFAOYSA-N 0 0 441.334 5.201 50 0 IKAARN CCCCC(=O)N(c1nc(-c2ccc(C)cc2)c(CC)s1)c1cc(OC)ccc1OC ZINC000002839686 555834711 /nfs/dbraw/zinc/83/47/11/555834711.db2.gz FFPTTWLKEQZPGG-UHFFFAOYSA-N 0 0 438.593 6.553 50 0 IKAARN O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)Nc1ccccc1Cl ZINC000002840417 555835070 /nfs/dbraw/zinc/83/50/70/555835070.db2.gz OLANQVPSJBTEOZ-UHFFFAOYSA-N 0 0 446.959 6.502 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4c(C)cccc4C)ccc23)cc1 ZINC000002840799 555835279 /nfs/dbraw/zinc/83/52/79/555835279.db2.gz KWKQNOWUKJJHNU-UHFFFAOYSA-N 0 0 443.499 5.411 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000002840700 555835294 /nfs/dbraw/zinc/83/52/94/555835294.db2.gz SFLNXGMTTWLEJF-OAQYLSRUSA-N 0 0 432.328 5.062 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C(C)C)o2)cc1 ZINC000002840976 555835582 /nfs/dbraw/zinc/83/55/82/555835582.db2.gz PIPUMYPNDYRVNB-UHFFFAOYSA-N 0 0 446.370 5.662 50 0 IKAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3CC)n2C)cc1 ZINC000002841162 555835592 /nfs/dbraw/zinc/83/55/92/555835592.db2.gz FEXOFZVOWFQJRX-KRWDZBQOSA-N 0 0 438.597 5.119 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000002841642 555835846 /nfs/dbraw/zinc/83/58/46/555835846.db2.gz XSRYLDCOQMINPF-BOPFTXTBSA-N 0 0 434.801 5.361 50 0 IKAARN O=C(COc1ccc2ccccc2c1Br)NC(=S)Nc1ccc(Cl)cc1 ZINC000002842010 555836105 /nfs/dbraw/zinc/83/61/05/555836105.db2.gz UVPFQKNWDHTENH-UHFFFAOYSA-N 0 0 449.757 5.148 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000002844061 555836641 /nfs/dbraw/zinc/83/66/41/555836641.db2.gz LQFHOYFFFJOYIJ-UHFFFAOYSA-N 0 0 449.535 6.289 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000002844145 555836958 /nfs/dbraw/zinc/83/69/58/555836958.db2.gz KOCSFKNAFRBYGR-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN O=C(Nc1nnc(CSCc2cccc(Br)c2)s1)C1CCCCC1 ZINC000002845139 555837331 /nfs/dbraw/zinc/83/73/31/555837331.db2.gz GGGCDWHKKNEVOE-UHFFFAOYSA-N 0 0 426.405 5.253 50 0 IKAARN Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Cl)ccc21 ZINC000002846248 555837694 /nfs/dbraw/zinc/83/76/94/555837694.db2.gz FXKMWRVKEGCRLD-QFIPXVFZSA-N 0 0 446.355 5.371 50 0 IKAARN Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Cl)ccc21 ZINC000002846249 555837712 /nfs/dbraw/zinc/83/77/12/555837712.db2.gz FXKMWRVKEGCRLD-JOCHJYFZSA-N 0 0 446.355 5.371 50 0 IKAARN CCCCOc1ccc(-c2cc(=O)oc(-c3cccc(I)c3)n2)cc1 ZINC000002847996 555838026 /nfs/dbraw/zinc/83/80/26/555838026.db2.gz HKGUGLRAKOIOIY-UHFFFAOYSA-N 0 0 447.272 5.152 50 0 IKAARN O=C(Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc(Br)o1 ZINC000002848088 555838450 /nfs/dbraw/zinc/83/84/50/555838450.db2.gz NWYPEGSFJKCVNP-UHFFFAOYSA-N 0 0 428.217 5.151 50 0 IKAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000002849482 555838642 /nfs/dbraw/zinc/83/86/42/555838642.db2.gz FLCVLQSTACTCQV-UHFFFAOYSA-N 0 0 447.373 5.503 50 0 IKAARN Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1-c1nc2ccccc2o1 ZINC000002849767 555838683 /nfs/dbraw/zinc/83/86/83/555838683.db2.gz NTPBLVGRZXAXER-CQSZACIVSA-N 0 0 441.314 6.516 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000002849812 555838697 /nfs/dbraw/zinc/83/86/97/555838697.db2.gz KZDGFNDXYASYJA-GFCCVEGCSA-N 0 0 435.332 5.713 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1I ZINC000002850579 555839015 /nfs/dbraw/zinc/83/90/15/555839015.db2.gz AILGFDCPTPSDJQ-SECBINFHSA-N 0 0 436.076 5.004 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000002851771 555839520 /nfs/dbraw/zinc/83/95/20/555839520.db2.gz MAYVNFRJPZBGSX-UHFFFAOYSA-N 0 0 436.577 5.337 50 0 IKAARN FC(F)(F)c1cccc(Cn2cnc(NC(=S)Nc3ccc(Cl)cc3Cl)n2)c1 ZINC000002852320 555839860 /nfs/dbraw/zinc/83/98/60/555839860.db2.gz ANBSEQYVQOBLBG-UHFFFAOYSA-N 0 0 446.285 5.461 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccsc1C(=O)OC ZINC000002852730 555840141 /nfs/dbraw/zinc/84/01/41/555840141.db2.gz VTOZFJRZCRTJCU-UHFFFAOYSA-N 0 0 446.575 5.249 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(I)ccc2Cl)c(C)c1 ZINC000002854506 555841113 /nfs/dbraw/zinc/84/11/13/555841113.db2.gz MQHVMNZYHPNMHF-UHFFFAOYSA-N 0 0 442.728 5.352 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000002855845 555841387 /nfs/dbraw/zinc/84/13/87/555841387.db2.gz VDDPFZUVCBNWMD-UHFFFAOYSA-N 0 0 437.952 5.336 50 0 IKAARN CCc1c(C)sc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)c1C(=O)OC ZINC000002855418 555841434 /nfs/dbraw/zinc/84/14/34/555841434.db2.gz WOFBVUNPEZFDAN-UHFFFAOYSA-N 0 0 437.801 6.175 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccccc1Br ZINC000002855575 555841473 /nfs/dbraw/zinc/84/14/73/555841473.db2.gz HZLAHSXJNOCGMR-OAQYLSRUSA-N 0 0 430.729 5.387 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1 ZINC000002856353 555841625 /nfs/dbraw/zinc/84/16/25/555841625.db2.gz FJZPFZQFQWUOHO-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000002857368 555842324 /nfs/dbraw/zinc/84/23/24/555842324.db2.gz IHKDBKFJPCGNIE-UHFFFAOYSA-N 0 0 428.513 5.204 50 0 IKAARN COc1cc(OC)c(NC(=S)Nc2ccc(Br)cc2Cl)cc1Cl ZINC000002857514 555842382 /nfs/dbraw/zinc/84/23/82/555842382.db2.gz YLTMYQJKFUDRHL-UHFFFAOYSA-N 0 0 436.158 5.582 50 0 IKAARN CCCCOc1c(Cl)cc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000002858303 555842976 /nfs/dbraw/zinc/84/29/76/555842976.db2.gz NKFNUFBGTWXMCB-UHFFFAOYSA-N 0 0 426.340 5.162 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000002858491 555842993 /nfs/dbraw/zinc/84/29/93/555842993.db2.gz TUVZOVZWJLZFMY-UHFFFAOYSA-N 0 0 436.577 5.248 50 0 IKAARN CCCCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000002858956 555843222 /nfs/dbraw/zinc/84/32/22/555843222.db2.gz WKLSKNJERDJKCP-UHFFFAOYSA-N 0 0 440.540 5.002 50 0 IKAARN CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002860420 555844143 /nfs/dbraw/zinc/84/41/43/555844143.db2.gz VLALVURCYQIQSG-XMMPIXPASA-N 0 0 443.930 6.315 50 0 IKAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002861795 555845097 /nfs/dbraw/zinc/84/50/97/555845097.db2.gz ITTLERJJWAHLET-XMMPIXPASA-N 0 0 425.484 5.327 50 0 IKAARN CC(C)c1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000002861758 555845151 /nfs/dbraw/zinc/84/51/51/555845151.db2.gz RLVQJNNHQDCXBS-UHFFFAOYSA-N 0 0 427.932 5.329 50 0 IKAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000002861686 555845165 /nfs/dbraw/zinc/84/51/65/555845165.db2.gz JGWXFYLXXQTHTM-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)c1 ZINC000002862433 555845398 /nfs/dbraw/zinc/84/53/98/555845398.db2.gz DZAXYBLGECGYSZ-UHFFFAOYSA-N 0 0 436.408 6.425 50 0 IKAARN CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000002862382 555845419 /nfs/dbraw/zinc/84/54/19/555845419.db2.gz HKWNEJNPCBVZTI-DEOSSOPVSA-N 0 0 443.930 6.063 50 0 IKAARN COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(C)cc4)cc3)CCCC2)cc1 ZINC000002862047 555845431 /nfs/dbraw/zinc/84/54/31/555845431.db2.gz XTLVEAFDMSTSJU-UHFFFAOYSA-N 0 0 428.532 5.706 50 0 IKAARN O=C(CSc1nnc(CCc2ccccc2)n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002862474 555845819 /nfs/dbraw/zinc/84/58/19/555845819.db2.gz PUPGFPZQJUOOHL-UHFFFAOYSA-N 0 0 447.991 5.740 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000002863106 555846115 /nfs/dbraw/zinc/84/61/15/555846115.db2.gz FLAFJIIDECGRSF-UHFFFAOYSA-N 0 0 443.576 5.185 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4ccc(Cl)cc4)s3)c(=O)oc2c1 ZINC000002864165 555846425 /nfs/dbraw/zinc/84/64/25/555846425.db2.gz YPMAOYDRQAXMHU-UHFFFAOYSA-N 0 0 426.929 5.555 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3cc(CC)ccc3o2)c1 ZINC000002865886 555847031 /nfs/dbraw/zinc/84/70/31/555847031.db2.gz SKWBUTDLIHCHLC-UHFFFAOYSA-N 0 0 425.554 5.465 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl ZINC000002865870 555847057 /nfs/dbraw/zinc/84/70/57/555847057.db2.gz KVZGOKBYKJKEHG-UHFFFAOYSA-N 0 0 443.355 6.596 50 0 IKAARN CC(C)[C@H]1Cc2c(sc3nc(-c4ccccc4)n4c(Cc5ccccc5)nnc4c23)CO1 ZINC000002867417 555847818 /nfs/dbraw/zinc/84/78/18/555847818.db2.gz ABQMNNAJUXVVEH-HXUWFJFHSA-N 0 0 440.572 5.694 50 0 IKAARN CCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccncc3)c3cc(C)ccc3n2)cc1 ZINC000002867826 555848119 /nfs/dbraw/zinc/84/81/19/555848119.db2.gz RGXONLUYQYZSFE-LJQANCHMSA-N 0 0 425.532 5.885 50 0 IKAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002867861 555848440 /nfs/dbraw/zinc/84/84/40/555848440.db2.gz BYHVLVPDHREFID-UHFFFAOYSA-N 0 0 438.453 5.246 50 0 IKAARN Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002867841 555848457 /nfs/dbraw/zinc/84/84/57/555848457.db2.gz SLHKIFNYEXGSIN-UHFFFAOYSA-N 0 0 430.891 5.887 50 0 IKAARN COc1ccc(C(=O)C[C@@H](Nc2ccc(Br)cc2)c2ccc(F)cc2)cc1 ZINC000002870248 555849346 /nfs/dbraw/zinc/84/93/46/555849346.db2.gz SXOSVRVHXGQOIJ-OAQYLSRUSA-N 0 0 428.301 6.023 50 0 IKAARN Fc1cccc(-c2nnc(SC(c3ccccc3)c3ccccc3)n2-c2ccccc2)c1 ZINC000002870305 555849375 /nfs/dbraw/zinc/84/93/75/555849375.db2.gz CVCWJVPNRAXHGW-UHFFFAOYSA-N 0 0 437.543 6.955 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)c(C)c1 ZINC000002871345 555850027 /nfs/dbraw/zinc/85/00/27/555850027.db2.gz PEUWOXNKVMGBTA-UHFFFAOYSA-N 0 0 426.582 5.033 50 0 IKAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000002871959 555850396 /nfs/dbraw/zinc/85/03/96/555850396.db2.gz KTDSLHFIAWIDKT-UHFFFAOYSA-N 0 0 429.929 5.402 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(c1cccc(Cl)c1)C3=O ZINC000002872428 555850417 /nfs/dbraw/zinc/85/04/17/555850417.db2.gz DFZCPZSABVBUOL-JOCHJYFZSA-N 0 0 433.866 5.952 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002872143 555850424 /nfs/dbraw/zinc/85/04/24/555850424.db2.gz FFNFZSSTMZHQDB-NRFANRHFSA-N 0 0 436.294 6.158 50 0 IKAARN COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Br)cc2)cc1 ZINC000002873390 555850675 /nfs/dbraw/zinc/85/06/75/555850675.db2.gz RMVXVKMIFYWALM-OAQYLSRUSA-N 0 0 444.756 6.537 50 0 IKAARN O=S(=O)(N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002873402 555850700 /nfs/dbraw/zinc/85/07/00/555850700.db2.gz LWLBHBWAWPNZFD-OAHLLOKOSA-N 0 0 438.163 5.211 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714336 555851161 /nfs/dbraw/zinc/85/11/61/555851161.db2.gz NPQIEZRGTVDGMA-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 ZINC000002874413 555851406 /nfs/dbraw/zinc/85/14/06/555851406.db2.gz XQIGVUGIEZCUAD-UHFFFAOYSA-N 0 0 441.742 5.290 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714338 555851409 /nfs/dbraw/zinc/85/14/09/555851409.db2.gz CFQNUHWJNLPYHS-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN CCC[C@H]1CO[C@](CSC(=S)N2CCCCC2)(c2ccc(Cl)cc2Cl)O1 ZINC000002874889 555851742 /nfs/dbraw/zinc/85/17/42/555851742.db2.gz CGPFXOVFQCWIPK-KXBFYZLASA-N 0 0 434.454 5.866 50 0 IKAARN CCC[C@H]1CO[C@@](CSC(=S)N2CCCCC2)(c2ccc(Cl)cc2Cl)O1 ZINC000002874891 555851810 /nfs/dbraw/zinc/85/18/10/555851810.db2.gz CGPFXOVFQCWIPK-HNAYVOBHSA-N 0 0 434.454 5.866 50 0 IKAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002875991 555852280 /nfs/dbraw/zinc/85/22/80/555852280.db2.gz QEZXPOSYNMHEAD-UHFFFAOYSA-N 0 0 444.918 5.966 50 0 IKAARN O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000002876206 555852397 /nfs/dbraw/zinc/85/23/97/555852397.db2.gz JWSIUPSBVJBSNO-UHFFFAOYSA-N 0 0 428.435 5.591 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3cccc(Cl)c3)c3cc(OC)c(OC)cc3c12 ZINC000002877867 555853238 /nfs/dbraw/zinc/85/32/38/555853238.db2.gz GLXASKBQILYYCF-UHFFFAOYSA-N 0 0 443.934 6.474 50 0 IKAARN CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1 ZINC000002878845 555853870 /nfs/dbraw/zinc/85/38/70/555853870.db2.gz XZMHJYWMCRQSSI-UHFFFAOYSA-N 0 0 434.546 5.774 50 0 IKAARN Clc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccccc3)n2)cc1 ZINC000002879274 555853972 /nfs/dbraw/zinc/85/39/72/555853972.db2.gz DWJBIVQOEBBMFX-UHFFFAOYSA-N 0 0 446.923 5.325 50 0 IKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccccc1Br ZINC000002880275 555854483 /nfs/dbraw/zinc/85/44/83/555854483.db2.gz AIPHIFJCBILOTN-UHFFFAOYSA-N 0 0 449.352 5.867 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c(F)c1F ZINC000002879890 555854489 /nfs/dbraw/zinc/85/44/89/555854489.db2.gz PMHJORNZXDPTSJ-UHFFFAOYSA-N 0 0 446.425 6.089 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002880076 555854513 /nfs/dbraw/zinc/85/45/13/555854513.db2.gz NHIQQWHCOWKCHC-UHFFFAOYSA-N 0 0 446.395 5.262 50 0 IKAARN O=C(OCc1ccccc1Br)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002879815 555854534 /nfs/dbraw/zinc/85/45/34/555854534.db2.gz XSFGINUBAHPJIV-UHFFFAOYSA-N 0 0 435.277 5.523 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002879956 555854543 /nfs/dbraw/zinc/85/45/43/555854543.db2.gz SKLIRBXPGSGYLB-CQSZACIVSA-N 0 0 441.314 5.885 50 0 IKAARN COc1cccc(NC(=O)CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 ZINC000002880026 555854594 /nfs/dbraw/zinc/85/45/94/555854594.db2.gz YQIJDHWOPVLXOR-UHFFFAOYSA-N 0 0 443.739 5.239 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc2ccccc2cc1OC ZINC000002880712 555854976 /nfs/dbraw/zinc/85/49/76/555854976.db2.gz HDEMAABPITZQJY-UHFFFAOYSA-N 0 0 440.524 6.386 50 0 IKAARN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000002881119 555855291 /nfs/dbraw/zinc/85/52/91/555855291.db2.gz KZPKXWLVRYEBRG-UHFFFAOYSA-N 0 0 426.563 5.078 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1C ZINC000002881679 555855648 /nfs/dbraw/zinc/85/56/48/555855648.db2.gz MHTKLEQMXUXTAI-UHFFFAOYSA-N 0 0 443.355 6.839 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)cc1 ZINC000002882144 555855845 /nfs/dbraw/zinc/85/58/45/555855845.db2.gz RLEMOFXEBREBGZ-UHFFFAOYSA-N 0 0 436.577 5.788 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000002881899 555855931 /nfs/dbraw/zinc/85/59/31/555855931.db2.gz XTGFLPCAMWEASX-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(OCC)c1OC)Nc1ccccc1-2 ZINC000002882692 555856280 /nfs/dbraw/zinc/85/62/80/555856280.db2.gz URQIYHKKFWVGBI-OAQYLSRUSA-N 0 0 438.553 5.341 50 0 IKAARN COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Cl)cc3)c2n1 ZINC000002883128 555856551 /nfs/dbraw/zinc/85/65/51/555856551.db2.gz HGZLLQBLSRIDKJ-UHFFFAOYSA-N 0 0 428.826 5.248 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C ZINC000002882930 555856585 /nfs/dbraw/zinc/85/65/85/555856585.db2.gz OSJAPJIZFRWQRK-UHFFFAOYSA-N 0 0 449.359 5.663 50 0 IKAARN O=C(NCC1(c2ccccc2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002883428 555856952 /nfs/dbraw/zinc/85/69/52/555856952.db2.gz KHFWLDBEYVJIAL-UHFFFAOYSA-N 0 0 439.342 5.707 50 0 IKAARN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000002884279 555857246 /nfs/dbraw/zinc/85/72/46/555857246.db2.gz ZEVWPXOXEYEFKP-UHFFFAOYSA-N 0 0 431.901 5.476 50 0 IKAARN Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1cc2ccccc2o1 ZINC000002884915 555857514 /nfs/dbraw/zinc/85/75/14/555857514.db2.gz MEBFPHKSBRAKEX-UHFFFAOYSA-N 0 0 428.444 5.017 50 0 IKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1Br ZINC000002884897 555857581 /nfs/dbraw/zinc/85/75/81/555857581.db2.gz WWTROMSPANNVEB-UHFFFAOYSA-N 0 0 433.327 5.232 50 0 IKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000002885347 555857800 /nfs/dbraw/zinc/85/78/00/555857800.db2.gz GPCYZNFMFKQTRE-KRWDZBQOSA-N 0 0 439.943 5.519 50 0 IKAARN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000002886488 555858274 /nfs/dbraw/zinc/85/82/74/555858274.db2.gz ZOJICRLQUSXUSR-UHFFFAOYSA-N 0 0 434.561 5.396 50 0 IKAARN COc1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1NC(=O)c1cccs1 ZINC000002890407 555859647 /nfs/dbraw/zinc/85/96/47/555859647.db2.gz JAOATPLIHZIGGF-UHFFFAOYSA-N 0 0 432.501 5.423 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1Br ZINC000002896486 555860204 /nfs/dbraw/zinc/86/02/04/555860204.db2.gz BLLKDFVZBHIDHA-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN O=C(CC(CC(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccc2ccccc2c1 ZINC000002897136 555860246 /nfs/dbraw/zinc/86/02/46/555860246.db2.gz QCBDRNOTBGTFMY-UHFFFAOYSA-N 0 0 428.531 7.623 50 0 IKAARN O=c1c2cnn(-c3ccccc3)c2nc(Cc2ccccc2)n1-c1cccc2ccccc21 ZINC000002904726 555860928 /nfs/dbraw/zinc/86/09/28/555860928.db2.gz RQQSASIPADFBJB-UHFFFAOYSA-N 0 0 428.495 5.315 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1 ZINC000034723126 555861307 /nfs/dbraw/zinc/86/13/07/555861307.db2.gz ZAGJXLGIXRLSHA-UHFFFAOYSA-N 0 0 434.483 5.888 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(Cl)c(Cl)c2)n1 ZINC000034723258 555861628 /nfs/dbraw/zinc/86/16/28/555861628.db2.gz FMRDEJWXPHYVSF-UHFFFAOYSA-N 0 0 435.376 6.176 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3Cl)o1)Nc1ccccc1-2 ZINC000002911610 555861903 /nfs/dbraw/zinc/86/19/03/555861903.db2.gz QJZVSKOCPCTQRX-HXUWFJFHSA-N 0 0 436.924 6.067 50 0 IKAARN CC(C)(C)c1cc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000002911374 555861926 /nfs/dbraw/zinc/86/19/26/555861926.db2.gz NXRFOPSAWLYLLW-VWLOTQADSA-N 0 0 442.603 6.467 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=S)NC(=O)c1ccccc1 ZINC000002911770 555861945 /nfs/dbraw/zinc/86/19/45/555861945.db2.gz BJVHPTCDSMAWQX-UHFFFAOYSA-N 0 0 438.574 5.335 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 ZINC000002915623 555862882 /nfs/dbraw/zinc/86/28/82/555862882.db2.gz VIKMYMVYBPZPKQ-UHFFFAOYSA-N 0 0 446.575 7.248 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 ZINC000002917896 555863043 /nfs/dbraw/zinc/86/30/43/555863043.db2.gz FRNCNCJPTPYWKG-SFTDATJTSA-N 0 0 436.899 5.345 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1ccccc1 ZINC000002917964 555863077 /nfs/dbraw/zinc/86/30/77/555863077.db2.gz SICBCJXSZQBNOK-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1ccccc1 ZINC000002917962 555863134 /nfs/dbraw/zinc/86/31/34/555863134.db2.gz SICBCJXSZQBNOK-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccccc3)C1[C@@H](c1ccccc1Cl)O2 ZINC000002917976 555863150 /nfs/dbraw/zinc/86/31/50/555863150.db2.gz UNRBLJPOHDVRCY-BJKOFHAPSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCc1ccccc1 ZINC000002922497 555863519 /nfs/dbraw/zinc/86/35/19/555863519.db2.gz SKEMYAMEDXUKBD-UHFFFAOYSA-N 0 0 435.354 6.490 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c(C)c1 ZINC000002929611 555863652 /nfs/dbraw/zinc/86/36/52/555863652.db2.gz WFBFVVUENKBEEN-UHFFFAOYSA-N 0 0 429.523 6.833 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000002936885 555864411 /nfs/dbraw/zinc/86/44/11/555864411.db2.gz XPYQMHIROGGZET-UHFFFAOYSA-N 0 0 445.327 5.993 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Br)ccc1-c1cc2ccccc2oc1=O ZINC000002935179 555864442 /nfs/dbraw/zinc/86/44/42/555864442.db2.gz JGTKTNWEGGMTMF-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN Cc1cc([C@H]2CC[C@H](C(=O)NCc3cccc(F)c3)CN2C(=O)C2CCCC2)ccc1F ZINC000034715395 555865135 /nfs/dbraw/zinc/86/51/35/555865135.db2.gz FCANQNJFXVFXFC-XUZZJYLKSA-N 0 0 440.534 5.060 50 0 IKAARN O=c1c2ccccc2nc(/C=C\c2ccc(Cl)cc2Cl)n1-c1cccc2ccccc21 ZINC000034716041 555865390 /nfs/dbraw/zinc/86/53/90/555865390.db2.gz WNWOMJZTASSBMA-SQFISAMPSA-N 0 0 443.333 7.016 50 0 IKAARN O=C(Nc1ccc(I)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000002947649 555865729 /nfs/dbraw/zinc/86/57/29/555865729.db2.gz SIOLUORKASLPFG-UHFFFAOYSA-N 0 0 448.112 6.065 50 0 IKAARN CCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034716550 555865732 /nfs/dbraw/zinc/86/57/32/555865732.db2.gz YFVANEFTHZAYCX-AUSIDOKSSA-N 0 0 441.547 5.044 50 0 IKAARN CCCCNC(=O)N1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034716552 555865781 /nfs/dbraw/zinc/86/57/81/555865781.db2.gz YFVANEFTHZAYCX-WMZHIEFXSA-N 0 0 441.547 5.044 50 0 IKAARN O=C(Nc1ccc(I)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002951523 555865937 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Cc1ccc(C)c(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 ZINC000002962691 555867920 /nfs/dbraw/zinc/86/79/20/555867920.db2.gz AFHMUMQUNQVEJO-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000034717456 555868014 /nfs/dbraw/zinc/86/80/14/555868014.db2.gz ZAOCDOLHVGLTCV-UHFFFAOYSA-N 0 0 435.376 6.176 50 0 IKAARN CCOC(=O)[C@H]1CCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)cc1 ZINC000002963188 555868326 /nfs/dbraw/zinc/86/83/26/555868326.db2.gz HSGZDBKSGJHBGJ-GBXCKJPGSA-N 0 0 448.360 6.496 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)nc2c1 ZINC000002970019 555869002 /nfs/dbraw/zinc/86/90/02/555869002.db2.gz HRBITUVAVMKELQ-UHFFFAOYSA-N 0 0 432.932 7.178 50 0 IKAARN Cc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000002969333 555869063 /nfs/dbraw/zinc/86/90/63/555869063.db2.gz XIRZSRQZJPSFNS-UHFFFAOYSA-N 0 0 445.927 6.889 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1sc2ccccc2c1Cl ZINC000002969262 555869094 /nfs/dbraw/zinc/86/90/94/555869094.db2.gz KQIJQNAFZDVBSS-UHFFFAOYSA-N 0 0 439.323 7.269 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000002969662 555869147 /nfs/dbraw/zinc/86/91/47/555869147.db2.gz LBDRRTWMYKOWRE-UHFFFAOYSA-N 0 0 434.973 7.392 50 0 IKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000002970860 555869303 /nfs/dbraw/zinc/86/93/03/555869303.db2.gz CVAKCMRMKRTQMZ-UHFFFAOYSA-N 0 0 434.499 5.560 50 0 IKAARN Cc1ccc2nc(-c3cccc(NC(=O)C(C)(c4ccccc4)c4ccccc4)c3)oc2c1 ZINC000002971620 555869376 /nfs/dbraw/zinc/86/93/76/555869376.db2.gz JEGXFQCHEFXIHA-UHFFFAOYSA-N 0 0 432.523 6.748 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000002970639 555869383 /nfs/dbraw/zinc/86/93/83/555869383.db2.gz QFGNFYPGJUTERO-UHFFFAOYSA-N 0 0 441.712 6.092 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1Br ZINC000002978630 555870987 /nfs/dbraw/zinc/87/09/87/555870987.db2.gz LCVSYMOLJSBKAS-UHFFFAOYSA-N 0 0 438.561 5.536 50 0 IKAARN Cc1c(NC(=O)c2ccc(Br)cc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000002974518 555869706 /nfs/dbraw/zinc/86/97/06/555869706.db2.gz NYHXOPGHXRKGJR-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000002974351 555869727 /nfs/dbraw/zinc/86/97/27/555869727.db2.gz NXZOFXYINSUATC-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000002976135 555869953 /nfs/dbraw/zinc/86/99/53/555869953.db2.gz PVJLBJOJMYAIPZ-UHFFFAOYSA-N 0 0 433.508 5.884 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)oc2c(C)c1 ZINC000002976102 555870058 /nfs/dbraw/zinc/87/00/58/555870058.db2.gz XVTZNCSZNDILFW-UHFFFAOYSA-N 0 0 435.321 6.435 50 0 IKAARN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1 ZINC000002978405 555870557 /nfs/dbraw/zinc/87/05/57/555870557.db2.gz XXHODKIDOMTYEF-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4cccnc4o3)ccc2C)cc1Cl ZINC000002978540 555870929 /nfs/dbraw/zinc/87/09/29/555870929.db2.gz XSRLXBYRLIQWMT-UHFFFAOYSA-N 0 0 428.275 5.766 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000002979250 555871197 /nfs/dbraw/zinc/87/11/97/555871197.db2.gz LRPSAASMGMEUGI-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 ZINC000002979516 555871509 /nfs/dbraw/zinc/87/15/09/555871509.db2.gz ANCFJUZFTWKWCH-UHFFFAOYSA-N 0 0 433.891 5.748 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000002979621 555871588 /nfs/dbraw/zinc/87/15/88/555871588.db2.gz IZFJGGQIGLYVMC-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000002980266 555871787 /nfs/dbraw/zinc/87/17/87/555871787.db2.gz PYWADRTYCLMQRE-UHFFFAOYSA-N 0 0 442.902 6.627 50 0 IKAARN O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc(Br)cc1 ZINC000002980038 555871830 /nfs/dbraw/zinc/87/18/30/555871830.db2.gz IAELLNQYAFBLDQ-UHFFFAOYSA-N 0 0 435.346 6.492 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)oc2c(C)c1 ZINC000002982222 555872488 /nfs/dbraw/zinc/87/24/88/555872488.db2.gz BISFMCMWSRKJKS-UHFFFAOYSA-N 0 0 433.508 5.686 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000002982168 555872552 /nfs/dbraw/zinc/87/25/52/555872552.db2.gz FGNABBOFKXDBHH-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(Br)cc3)sc2C)c1 ZINC000002982549 555872869 /nfs/dbraw/zinc/87/28/69/555872869.db2.gz DLYFKHIEIKCHLU-UHFFFAOYSA-N 0 0 433.327 5.151 50 0 IKAARN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000002982937 555873135 /nfs/dbraw/zinc/87/31/35/555873135.db2.gz YGPWLNKMZQNXAO-UHFFFAOYSA-N 0 0 447.539 5.029 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1Cl ZINC000002982936 555873172 /nfs/dbraw/zinc/87/31/72/555873172.db2.gz CFBDXJBKBBUWAW-UHFFFAOYSA-N 0 0 443.355 6.839 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 ZINC000002983020 555873425 /nfs/dbraw/zinc/87/34/25/555873425.db2.gz UYLPPDJOSIOKMK-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000002983466 555873444 /nfs/dbraw/zinc/87/34/44/555873444.db2.gz XLUMEZRPNDAZGK-UHFFFAOYSA-N 0 0 427.356 6.375 50 0 IKAARN CCOc1ccc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2c1 ZINC000002985389 555873943 /nfs/dbraw/zinc/87/39/43/555873943.db2.gz PXHRFUDENFCYQX-UHFFFAOYSA-N 0 0 431.557 5.630 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 ZINC000002985394 555874030 /nfs/dbraw/zinc/87/40/30/555874030.db2.gz GBRXBSLXRRNXLV-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c2ccccc12 ZINC000002989457 555874950 /nfs/dbraw/zinc/87/49/50/555874950.db2.gz OMJCGOMLYOLCQK-UHFFFAOYSA-N 0 0 425.532 6.578 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 ZINC000002991216 555875234 /nfs/dbraw/zinc/87/52/34/555875234.db2.gz HLSDLTHGGJKYFN-UHFFFAOYSA-N 0 0 445.544 5.637 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCCC2)C1 ZINC000002994669 555875726 /nfs/dbraw/zinc/87/57/26/555875726.db2.gz FFNIPPXLVHIUNS-INIZCTEOSA-N 0 0 444.666 6.229 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccccc1Br ZINC000002994563 555875742 /nfs/dbraw/zinc/87/57/42/555875742.db2.gz COPYMZIKVVVLLA-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2ccccc21 ZINC000002994973 555876019 /nfs/dbraw/zinc/87/60/19/555876019.db2.gz LIVPDYUVMKARFH-UHFFFAOYSA-N 0 0 439.565 6.243 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002994874 555876073 /nfs/dbraw/zinc/87/60/73/555876073.db2.gz HPOGBZXSPGUCKX-UHFFFAOYSA-N 0 0 436.920 6.314 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Br ZINC000002997842 555876636 /nfs/dbraw/zinc/87/66/36/555876636.db2.gz PQKXHCWUEDVNPK-UHFFFAOYSA-N 0 0 444.712 5.594 50 0 IKAARN O=C(NCCOc1cccc(Cl)c1Cl)[C@H](Cc1ccc(O)cc1)c1ccccc1 ZINC000002998092 555876694 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O=C(COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000003004942 555878411 /nfs/dbraw/zinc/87/84/11/555878411.db2.gz IGYNRXDIYVQEEO-UHFFFAOYSA-N 0 0 428.271 5.285 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(N2CCCN([C@@H](C)c3ccccc3)C2=O)cc1)c1ccccc1 ZINC000034734182 555878778 /nfs/dbraw/zinc/87/87/78/555878778.db2.gz GBAKSADGAOOQEI-LVXARBLLSA-N 0 0 441.575 6.212 50 0 IKAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011670 555879091 /nfs/dbraw/zinc/87/90/91/555879091.db2.gz UZGOJTOBRWJVAI-AZUAARDMSA-N 0 0 444.457 5.421 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)cc1)c1ccc(F)cc1 ZINC000034734375 555879122 /nfs/dbraw/zinc/87/91/22/555879122.db2.gz ZRZYJLHUNKPNSL-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 ZINC000003012748 555879668 /nfs/dbraw/zinc/87/96/68/555879668.db2.gz ABFDMKCHUPEWTK-MOPGFXCFSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 ZINC000003012819 555879948 /nfs/dbraw/zinc/87/99/48/555879948.db2.gz LJYHGXUHYGLEGL-ROUUACIJSA-N 0 0 436.522 5.796 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012862 555879954 /nfs/dbraw/zinc/87/99/54/555879954.db2.gz QXMAFEYIHKQMRE-ZFWWWQNUSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012864 555879985 /nfs/dbraw/zinc/87/99/85/555879985.db2.gz QXMAFEYIHKQMRE-DZGCQCFKSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012871 555880003 /nfs/dbraw/zinc/88/00/03/555880003.db2.gz LCFBKBPNDGPVOP-HIFRSBDPSA-N 0 0 444.335 5.408 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1)c1ccco1 ZINC000034734712 555880326 /nfs/dbraw/zinc/88/03/26/555880326.db2.gz JPXXAFBMPOVNEF-UHFFFAOYSA-N 0 0 444.318 5.671 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)c4c(F)cccc4F)cc3)C2=O)c1 ZINC000034734823 555880564 /nfs/dbraw/zinc/88/05/64/555880564.db2.gz MHOZXGREUYIQRJ-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2ccc(F)cc2)C1=O)c1ccccc1Cl ZINC000034734841 555880618 /nfs/dbraw/zinc/88/06/18/555880618.db2.gz PRNQOQWDQNPQMK-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1cccc(C(F)(F)F)c1)C3=O ZINC000003017121 555880961 /nfs/dbraw/zinc/88/09/61/555880961.db2.gz GNAAATHBPIXZKU-NRFANRHFSA-N 0 0 435.401 5.870 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003018987 555881116 /nfs/dbraw/zinc/88/11/16/555881116.db2.gz WVOIEORSEWMOPI-HKUPYCBJSA-N 0 0 449.559 5.354 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1N1CCCN(Cc2cccc(F)c2)C1=O)c1ccccc1 ZINC000034734980 555881143 /nfs/dbraw/zinc/88/11/43/555881143.db2.gz UXGHEKMWVJNJCV-HSZRJFAPSA-N 0 0 445.538 5.790 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000034725221 555881701 /nfs/dbraw/zinc/88/17/01/555881701.db2.gz YPAMXXRCDOURCU-UHFFFAOYSA-N 0 0 442.563 5.040 50 0 IKAARN CCCCCC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000003039572 555882400 /nfs/dbraw/zinc/88/24/00/555882400.db2.gz PRHSPRPNARICDD-QGZVFWFLSA-N 0 0 446.831 5.519 50 0 IKAARN COc1ccc(NC(=O)c2cccc(C)c2)cc1N1CCCN(Cc2ccccc2F)C1=O ZINC000034739768 555882661 /nfs/dbraw/zinc/88/26/61/555882661.db2.gz ZSFHMUFNKWWZSN-UHFFFAOYSA-N 0 0 447.510 5.227 50 0 IKAARN CCCCc1ccc(NC(=O)N2CCCN(c3nc(-c4ccccc4)ns3)CC2)c(C)c1 ZINC000003078887 555884732 /nfs/dbraw/zinc/88/47/32/555884732.db2.gz YMKFMGYFENKIES-UHFFFAOYSA-N 0 0 449.624 5.600 50 0 IKAARN Cc1ccc(C2(c3ccc(C)cc3)OC(=O)C(c3ccccc3)(c3ccccc3)OC2=O)cc1 ZINC000003080920 555884756 /nfs/dbraw/zinc/88/47/56/555884756.db2.gz GNBYRQXPSSECKE-UHFFFAOYSA-N 0 0 448.518 5.591 50 0 IKAARN CC(C)CN(CC(C)C)C(=S)Oc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000003079492 555884835 /nfs/dbraw/zinc/88/48/35/555884835.db2.gz TZIMFWFCEZWKDL-UHFFFAOYSA-N 0 0 434.605 6.370 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1)c1ccccc1 ZINC000034735285 555885128 /nfs/dbraw/zinc/88/51/28/555885128.db2.gz AYWRYIWDIHXSRB-DEOSSOPVSA-N 0 0 445.538 5.790 50 0 IKAARN O=c1c2ccccc2c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccccc1 ZINC000003086639 555885160 /nfs/dbraw/zinc/88/51/60/555885160.db2.gz FXJDNXZDHDGOKZ-UHFFFAOYSA-N 0 0 434.339 6.090 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4c(F)cccc4F)c3)C2=O)cc1 ZINC000034735302 555885164 /nfs/dbraw/zinc/88/51/64/555885164.db2.gz CTMGZRZIKAXCNB-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)c1c(F)cccc1F ZINC000034735333 555885465 /nfs/dbraw/zinc/88/54/65/555885465.db2.gz WXJOQGNXGKXKAU-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3cc(F)ccc3F)C2=O)c1)c1ccc(F)cc1 ZINC000034735429 555885518 /nfs/dbraw/zinc/88/55/18/555885518.db2.gz ILAUMERXLOBLEP-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN Cc1cccc(C(=O)Nc2cccc(N3CCCN(Cc4cc(C)cc(C)c4)C3=O)c2)c1 ZINC000034735577 555885820 /nfs/dbraw/zinc/88/58/20/555885820.db2.gz HUEJAKKQWMLXHS-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3cccc(C)c3)C2=O)cc1 ZINC000034735857 555886062 /nfs/dbraw/zinc/88/60/62/555886062.db2.gz GYKQHVHCOKWWQJ-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN COc1ccccc1C(=O)Nc1cc(C)ccc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034735894 555886114 /nfs/dbraw/zinc/88/61/14/555886114.db2.gz NTJBIDVNLOLLLE-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)c2ccc(F)cc2)c1 ZINC000034735946 555886408 /nfs/dbraw/zinc/88/64/08/555886408.db2.gz HJXWNBFURIXVNU-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)c2c(F)cccc2F)c1 ZINC000034735996 555886422 /nfs/dbraw/zinc/88/64/22/555886422.db2.gz VDXXHLCQOHGMEE-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000034735972 555886434 /nfs/dbraw/zinc/88/64/34/555886434.db2.gz WJOZIMKLQTZKKC-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN COc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccccc3C)C2=O)c1 ZINC000034736229 555886778 /nfs/dbraw/zinc/88/67/78/555886778.db2.gz MMIPIYSJBMSSBJ-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c(NC(=O)C(C)C)c1 ZINC000034736371 555886786 /nfs/dbraw/zinc/88/67/86/555886786.db2.gz CAUHODPZVRKGLZ-UHFFFAOYSA-N 0 0 449.473 5.320 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000034736730 555887072 /nfs/dbraw/zinc/88/70/72/555887072.db2.gz DGCXDRORBJUUEQ-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000003105023 555887656 /nfs/dbraw/zinc/88/76/56/555887656.db2.gz NKZXNCMQKVFICX-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN CC(C)c1ccc(NC(=O)Nc2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)cc1 ZINC000034737176 555888006 /nfs/dbraw/zinc/88/80/06/555888006.db2.gz WSFLIWLWCQHINS-UHFFFAOYSA-N 0 0 442.563 6.286 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccccc3)C2=O)c1 ZINC000034736954 555888031 /nfs/dbraw/zinc/88/80/31/555888031.db2.gz DBAIHHXDEZPNRC-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(C)ccc2N2CCCN([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000034737371 555888182 /nfs/dbraw/zinc/88/81/82/555888182.db2.gz JYLYELYJVTWMAE-NRFANRHFSA-N 0 0 442.563 6.341 50 0 IKAARN CCCCCc1cc2c(cc1O[C@@H](C)C(=O)OCC)occ(-c1nc(C)cs1)c2=O ZINC000003111519 555888566 /nfs/dbraw/zinc/88/85/66/555888566.db2.gz BAJMDKVUMQUGAE-HNNXBMFYSA-N 0 0 429.538 5.288 50 0 IKAARN O=c1c(=O)c(Sc2c(Cl)cccc2Cl)c1Sc1c(Cl)cccc1Cl ZINC000003119162 555888779 /nfs/dbraw/zinc/88/87/79/555888779.db2.gz YIQYCDDQSANLOS-UHFFFAOYSA-N 0 0 436.168 6.199 50 0 IKAARN CC(C)(C)c1cc(C(=O)Oc2ccc(I)cc2)cc(C(C)(C)C)c1 ZINC000003123147 555889315 /nfs/dbraw/zinc/88/93/15/555889315.db2.gz FSEPPPAHILMPMO-UHFFFAOYSA-N 0 0 436.333 6.105 50 0 IKAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000003122741 555889319 /nfs/dbraw/zinc/88/93/19/555889319.db2.gz OBKHHKNEPFWLPK-CYBMUJFWSA-N 0 0 431.216 5.019 50 0 IKAARN COc1cc(C(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1 ZINC000003124404 555889648 /nfs/dbraw/zinc/88/96/48/555889648.db2.gz XXTUIUWSAAKDKN-UHFFFAOYSA-N 0 0 436.504 5.116 50 0 IKAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000003127854 555889953 /nfs/dbraw/zinc/88/99/53/555889953.db2.gz TYOQUHHAICNGLI-PZJWPPBQSA-N 0 0 442.346 5.553 50 0 IKAARN ClC(Cl)(Cl)C(c1ccc2c3c(cccc31)CC2)c1ccc2c3c(cccc31)CC2 ZINC000003130278 555890226 /nfs/dbraw/zinc/89/02/26/555890226.db2.gz LCSLYMUFMLSKAJ-UHFFFAOYSA-N 0 0 437.797 7.692 50 0 IKAARN O=C(Oc1ccc2ccccc2c1I)c1ccc(Cl)c(Cl)c1 ZINC000003131825 555890540 /nfs/dbraw/zinc/89/05/40/555890540.db2.gz AERNYZBWOXLBJC-UHFFFAOYSA-N 0 0 443.067 5.970 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003134462 555890855 /nfs/dbraw/zinc/89/08/55/555890855.db2.gz WMXLABVAYPIWCD-UHFFFAOYSA-N 0 0 440.343 5.187 50 0 IKAARN Nc1cc(S(=O)(=O)c2ccc(Nc3ccccc3)c(N)c2)ccc1Nc1ccccc1 ZINC000003154786 555892678 /nfs/dbraw/zinc/89/26/78/555892678.db2.gz IFLSSTYXIOPUOW-UHFFFAOYSA-N 0 0 430.533 5.171 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1 ZINC000003168079 555893680 /nfs/dbraw/zinc/89/36/80/555893680.db2.gz HPJLSOKPPYKROB-UHFFFAOYSA-N 0 0 442.465 6.060 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1c(C)c(C)c(C)c(C)c1C ZINC000003170028 555893882 /nfs/dbraw/zinc/89/38/82/555893882.db2.gz HIDROZSTQFXTJI-UHFFFAOYSA-N 0 0 447.362 7.248 50 0 IKAARN Fc1cccc(Cl)c1CSc1nsc(SCc2c(F)cccc2Cl)n1 ZINC000003170831 555893919 /nfs/dbraw/zinc/89/39/19/555893919.db2.gz KEKARSZKKWDVJV-UHFFFAOYSA-N 0 0 435.373 6.708 50 0 IKAARN Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2c(Cl)cccc2Cl)c(C)c1 ZINC000003180658 555894781 /nfs/dbraw/zinc/89/47/81/555894781.db2.gz DWIRTUNHDARDTC-QFIPXVFZSA-N 0 0 430.400 7.299 50 0 IKAARN Cc1cccc(COc2cc(OCc3cccc(C)c3)c3c4c(c(=O)oc3c2)CCC4)c1 ZINC000003179944 555894821 /nfs/dbraw/zinc/89/48/21/555894821.db2.gz NLDFVWKFGZAIJE-UHFFFAOYSA-N 0 0 426.512 6.057 50 0 IKAARN CCc1cc2c(cc1OC(C)=O)oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000003187236 555895661 /nfs/dbraw/zinc/89/56/61/555895661.db2.gz RPLCZEPCTPHDIF-UHFFFAOYSA-N 0 0 442.389 6.245 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000003187187 555895673 /nfs/dbraw/zinc/89/56/73/555895673.db2.gz CDYDMNPTWIGQSN-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN CN(Cc1ccccc1)C(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000034785626 555896259 /nfs/dbraw/zinc/89/62/59/555896259.db2.gz ZNSTYVAMPZBQNH-UHFFFAOYSA-N 0 0 449.917 5.578 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NC(C)(C)C)cc1 ZINC000034785957 555896637 /nfs/dbraw/zinc/89/66/37/555896637.db2.gz JVDUPEZLJQZWDU-UHFFFAOYSA-N 0 0 447.461 5.069 50 0 IKAARN O=C(c1cnn2c1nccc2-c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000034786138 555896646 /nfs/dbraw/zinc/89/66/46/555896646.db2.gz NJQBVVPZKUKGHH-UHFFFAOYSA-N 0 0 430.939 5.145 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1 ZINC000034786826 555896807 /nfs/dbraw/zinc/89/68/07/555896807.db2.gz CEUHWFAZCLDCLR-OAQYLSRUSA-N 0 0 446.554 5.814 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1 ZINC000034786822 555896842 /nfs/dbraw/zinc/89/68/42/555896842.db2.gz CEUHWFAZCLDCLR-NRFANRHFSA-N 0 0 446.554 5.814 50 0 IKAARN O=C(c1cnn2c1nccc2-c1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000034786685 555896854 /nfs/dbraw/zinc/89/68/54/555896854.db2.gz BQIRKUFBZMKSNM-UHFFFAOYSA-N 0 0 430.939 5.145 50 0 IKAARN Clc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755676 555900746 /nfs/dbraw/zinc/90/07/46/555900746.db2.gz YZQJUJZNPOCKFJ-UHFFFAOYSA-N 0 0 434.971 5.471 50 0 IKAARN COc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccc(C)cc2)CC3)cc1 ZINC000034755628 555900781 /nfs/dbraw/zinc/90/07/81/555900781.db2.gz BDQRHGUFDJAQKD-UHFFFAOYSA-N 0 0 444.579 5.135 50 0 IKAARN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000003247157 555908214 /nfs/dbraw/zinc/90/82/14/555908214.db2.gz YPTAKMHFGJOKPI-SRZZPIQSSA-N 0 0 442.273 6.056 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)OCc3ccccc3)[C@H](C)C1)=N2 ZINC000034812778 555909745 /nfs/dbraw/zinc/90/97/45/555909745.db2.gz IGXFVUJJSLIPPS-HXUWFJFHSA-N 0 0 441.531 5.522 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)OCc3ccccc3)CC1)=N2 ZINC000034812735 555909749 /nfs/dbraw/zinc/90/97/49/555909749.db2.gz YGYGLASJNPJAKP-UHFFFAOYSA-N 0 0 427.504 5.133 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)CC(C)(C)C)[C@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813385 555910034 /nfs/dbraw/zinc/91/00/34/555910034.db2.gz CKVKUINSXLTVBZ-GOSISDBHSA-N 0 0 435.568 5.157 50 0 IKAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000034813058 555910080 /nfs/dbraw/zinc/91/00/80/555910080.db2.gz SZQRUYKQAIFIFG-IBGZPJMESA-N 0 0 441.531 5.034 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3ccc(F)cc3)[C@H](C)C1)=N2 ZINC000034813768 555910629 /nfs/dbraw/zinc/91/06/29/555910629.db2.gz PVKBGHCCIDXZBZ-LJQANCHMSA-N 0 0 443.522 5.473 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)NC3CCCCC3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034814385 555910935 /nfs/dbraw/zinc/91/09/35/555910935.db2.gz TYRWKUSEWNIOJS-IBGZPJMESA-N 0 0 432.568 5.227 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3cccc(C)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000003267224 555911293 /nfs/dbraw/zinc/91/12/93/555911293.db2.gz SGFFOPOWJCYSPY-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2)nc2cc(-c3ccccc3)nn21 ZINC000034832878 555912929 /nfs/dbraw/zinc/91/29/29/555912929.db2.gz GRHIWMGMMCDRAC-UHFFFAOYSA-N 0 0 438.462 5.463 50 0 IKAARN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21)c1ccccc1 ZINC000034833813 555913472 /nfs/dbraw/zinc/91/34/72/555913472.db2.gz WUYVYLPXFGPIMY-SFHVURJKSA-N 0 0 436.490 5.693 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21)c1ccccc1 ZINC000034833814 555913519 /nfs/dbraw/zinc/91/35/19/555913519.db2.gz WUYVYLPXFGPIMY-GOSISDBHSA-N 0 0 436.490 5.693 50 0 IKAARN COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834020 555913550 /nfs/dbraw/zinc/91/35/50/555913550.db2.gz ULNKQCIIUCWJCB-IBGZPJMESA-N 0 0 448.526 5.563 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834015 555913562 /nfs/dbraw/zinc/91/35/62/555913562.db2.gz LSKFELOFAVOFBH-UHFFFAOYSA-N 0 0 448.526 5.941 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NCC(C)C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834231 555913568 /nfs/dbraw/zinc/91/35/68/555913568.db2.gz LYIKVKYOCZNVJG-UHFFFAOYSA-N 0 0 434.927 5.111 50 0 IKAARN O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834120 555913576 /nfs/dbraw/zinc/91/35/76/555913576.db2.gz NXTKHEQBHRMDMJ-UHFFFAOYSA-N 0 0 446.869 5.379 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@@H](C)C(C)C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834312 555913769 /nfs/dbraw/zinc/91/37/69/555913769.db2.gz WWPLHPOSKURKKU-INIZCTEOSA-N 0 0 448.954 5.500 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CC2)C(=O)CC(C)(C)C)s1 ZINC000034838297 555914503 /nfs/dbraw/zinc/91/45/03/555914503.db2.gz DYFQZBXDGMDTDY-UHFFFAOYSA-N 0 0 444.616 5.399 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CC2)C2CCCCC2)s1 ZINC000034846754 555915422 /nfs/dbraw/zinc/91/54/22/555915422.db2.gz NVHROGKWFQRZCG-UHFFFAOYSA-N 0 0 442.600 5.296 50 0 IKAARN CC(C)Cc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034794653 555917443 /nfs/dbraw/zinc/91/74/43/555917443.db2.gz FTOIQPVSFVZOPG-UHFFFAOYSA-N 0 0 432.307 5.563 50 0 IKAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034795250 555917675 /nfs/dbraw/zinc/91/76/75/555917675.db2.gz VGQDIDXYDSWVLH-UHFFFAOYSA-N 0 0 431.458 5.427 50 0 IKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000034795565 555917680 /nfs/dbraw/zinc/91/76/80/555917680.db2.gz UIGMGMMQYLSRPX-UHFFFAOYSA-N 0 0 439.359 6.244 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1 ZINC000034795568 555917723 /nfs/dbraw/zinc/91/77/23/555917723.db2.gz AUVPGKMCXMDQJD-UHFFFAOYSA-N 0 0 431.414 5.242 50 0 IKAARN CCCc1[nH]nc(-c2ccc(OC)cc2OC)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034796067 555917732 /nfs/dbraw/zinc/91/77/32/555917732.db2.gz UBWHTOKQZBWEMH-UHFFFAOYSA-N 0 0 433.430 5.318 50 0 IKAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000034796049 555917744 /nfs/dbraw/zinc/91/77/44/555917744.db2.gz YNARGSIVCAMPIA-UHFFFAOYSA-N 0 0 431.414 5.242 50 0 IKAARN CCCCOC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc21 ZINC000003321832 555919406 /nfs/dbraw/zinc/91/94/06/555919406.db2.gz AVEHAJVMRMKKST-UHFFFAOYSA-N 0 0 429.307 5.420 50 0 IKAARN CCCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907730 555921107 /nfs/dbraw/zinc/92/11/07/555921107.db2.gz VIUKUXOSZKNMGE-RUZDIDTESA-N 0 0 440.543 6.651 50 0 IKAARN O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907697 555921115 /nfs/dbraw/zinc/92/11/15/555921115.db2.gz BBOXMAUNPHQMFL-OAQYLSRUSA-N 0 0 447.332 6.235 50 0 IKAARN COc1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4cccc(OC)c4)nc3c2)cc1 ZINC000034907923 555921346 /nfs/dbraw/zinc/92/13/46/555921346.db2.gz HUTDVYIIQHFORZ-HSZRJFAPSA-N 0 0 428.488 5.489 50 0 IKAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908127 555921500 /nfs/dbraw/zinc/92/15/00/555921500.db2.gz UXAQLLJWRGXFKB-HXUWFJFHSA-N 0 0 448.425 5.479 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(N(C)C)cc4)ccc3o2)c1 ZINC000034908317 555921511 /nfs/dbraw/zinc/92/15/11/555921511.db2.gz MTTHABAOIBLOQT-XMMPIXPASA-N 0 0 441.531 5.547 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)c3cccc(Cl)c3)nc2c1 ZINC000034908460 555921847 /nfs/dbraw/zinc/92/18/47/555921847.db2.gz CSGCYLBWIQRKQW-NRFANRHFSA-N 0 0 432.907 6.134 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4)ccc3o2)c(C)c1 ZINC000034908492 555921956 /nfs/dbraw/zinc/92/19/56/555921956.db2.gz MGXYVTXLLSZAHE-HSZRJFAPSA-N 0 0 429.495 6.620 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908494 555921967 /nfs/dbraw/zinc/92/19/67/555921967.db2.gz VOZCJVXGESOSBK-NRFANRHFSA-N 0 0 437.421 6.281 50 0 IKAARN COc1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)Nc4cccc(F)c4)nc3c2)cc1 ZINC000034908619 555922071 /nfs/dbraw/zinc/92/20/71/555922071.db2.gz HUUZPJLVXXVRBS-JOCHJYFZSA-N 0 0 431.467 6.012 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4C)ccc3o2)cc1 ZINC000034908585 555922078 /nfs/dbraw/zinc/92/20/78/555922078.db2.gz QOMBCDUJDNPDNI-DEOSSOPVSA-N 0 0 441.531 6.571 50 0 IKAARN COc1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)Nc4ccccc4C)nc3c2)cc1 ZINC000034908626 555922082 /nfs/dbraw/zinc/92/20/82/555922082.db2.gz GJTOKPCSOORHKY-HSZRJFAPSA-N 0 0 427.504 6.181 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)c1C ZINC000034908760 555922357 /nfs/dbraw/zinc/92/23/57/555922357.db2.gz QMMQXGMKAKKNJW-HSZRJFAPSA-N 0 0 447.485 6.759 50 0 IKAARN O=C(Nc1ccccc1F)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908725 555922383 /nfs/dbraw/zinc/92/23/83/555922383.db2.gz CKWAZSNAFBBJBB-NRFANRHFSA-N 0 0 437.421 6.281 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908787 555922418 /nfs/dbraw/zinc/92/24/18/555922418.db2.gz YIKZEJONORSJLH-OAQYLSRUSA-N 0 0 437.421 6.281 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)c(C)c1 ZINC000034908755 555922440 /nfs/dbraw/zinc/92/24/40/555922440.db2.gz VATKIYCZUBUFAV-QHCPKHFHSA-N 0 0 447.485 6.759 50 0 IKAARN O=C(NC1CCCCC1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908713 555922450 /nfs/dbraw/zinc/92/24/50/555922450.db2.gz JNZMDCVRDGTECN-OAQYLSRUSA-N 0 0 425.479 5.952 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1C ZINC000034908759 555922479 /nfs/dbraw/zinc/92/24/79/555922479.db2.gz VDDZJOVVIWUHDV-QHCPKHFHSA-N 0 0 447.485 6.759 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)NCc4ccccc4)nc3c2)cc1 ZINC000034908848 555922647 /nfs/dbraw/zinc/92/26/47/555922647.db2.gz IUBMHTMUEVSAEU-DEOSSOPVSA-N 0 0 440.547 5.608 50 0 IKAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034909012 555922715 /nfs/dbraw/zinc/92/27/15/555922715.db2.gz UNBJXQXDQSVAOU-QFIPXVFZSA-N 0 0 434.517 5.029 50 0 IKAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3cc(-c4cccc(C)c4)ccc3o2)cc1 ZINC000034909079 555922731 /nfs/dbraw/zinc/92/27/31/555922731.db2.gz PFQUNLCBGKEQRO-HSZRJFAPSA-N 0 0 448.544 5.338 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4n3CCc3ccccc3)CC2)cc1 ZINC000034910084 555923044 /nfs/dbraw/zinc/92/30/44/555923044.db2.gz MDJZEVZUXGWPAD-UHFFFAOYSA-N 0 0 438.575 5.443 50 0 IKAARN Clc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000003344960 555925263 /nfs/dbraw/zinc/92/52/63/555925263.db2.gz WSYYMAQOXRQPBB-UHFFFAOYSA-N 0 0 425.804 6.278 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003364122 555927279 /nfs/dbraw/zinc/92/72/79/555927279.db2.gz MWIDRIVBFLDTGA-SFHVURJKSA-N 0 0 448.035 7.739 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)c1 ZINC000003368327 555927620 /nfs/dbraw/zinc/92/76/20/555927620.db2.gz SBAWUHYPJFWFPE-UHFFFAOYSA-N 0 0 447.556 6.159 50 0 IKAARN O=C(NCCc1ccccc1)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898937 555928362 /nfs/dbraw/zinc/92/83/62/555928362.db2.gz CJDGBGOSRMYDLA-QHCPKHFHSA-N 0 0 437.543 5.378 50 0 IKAARN CC(C)CNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899081 555928474 /nfs/dbraw/zinc/92/84/74/555928474.db2.gz BNTIISXMVLLPTN-GFCCVEGCSA-N 0 0 433.396 5.037 50 0 IKAARN CCCCNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899090 555928510 /nfs/dbraw/zinc/92/85/10/555928510.db2.gz ULWUMNZBNQWHRD-LBPRGKRZSA-N 0 0 433.396 5.181 50 0 IKAARN CC(C)CNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899080 555928559 /nfs/dbraw/zinc/92/85/59/555928559.db2.gz BNTIISXMVLLPTN-LBPRGKRZSA-N 0 0 433.396 5.037 50 0 IKAARN CCOc1ccccc1C(=O)Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1 ZINC000034899343 555928944 /nfs/dbraw/zinc/92/89/44/555928944.db2.gz OYCCIQPIMABCEK-UHFFFAOYSA-N 0 0 430.426 5.890 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1ccccc1Br ZINC000034914981 555929879 /nfs/dbraw/zinc/92/98/79/555929879.db2.gz ZZOJQDGGLVAESY-UHFFFAOYSA-N 0 0 442.263 5.603 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000034915115 555930023 /nfs/dbraw/zinc/93/00/23/555930023.db2.gz BCKOAWJXGIYDLV-UHFFFAOYSA-N 0 0 444.844 6.626 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)cc1OC ZINC000034915651 555930248 /nfs/dbraw/zinc/93/02/48/555930248.db2.gz GYVFCBUFAUQFEB-UHFFFAOYSA-N 0 0 447.922 5.344 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 ZINC000034916934 555930598 /nfs/dbraw/zinc/93/05/98/555930598.db2.gz MKDIGLATXGAPMS-CQSZACIVSA-N 0 0 444.375 5.020 50 0 IKAARN CCCC[C@H](CC)C(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921294 555931834 /nfs/dbraw/zinc/93/18/34/555931834.db2.gz LRQUPKKEXRGYQT-IBGZPJMESA-N 0 0 447.572 5.301 50 0 IKAARN CCCN(Cc1cc(NC(=O)Cc2ccc(F)cc2)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921640 555932050 /nfs/dbraw/zinc/93/20/50/555932050.db2.gz URIKBHNRUAPAIT-UHFFFAOYSA-N 0 0 441.591 5.248 50 0 IKAARN COc1cccc(Nc2nc(-c3ccccc3)ncc2C(=O)NCCCc2ccccc2)c1 ZINC000034922032 555932345 /nfs/dbraw/zinc/93/23/45/555932345.db2.gz NFNDDQXTLJBZDA-UHFFFAOYSA-N 0 0 438.531 5.258 50 0 IKAARN CCN(c1cccc(C)c1)c1nc(-c2ccccc2)ncc1C(=O)N(C)Cc1ccco1 ZINC000034922098 555932353 /nfs/dbraw/zinc/93/23/53/555932353.db2.gz JCBWWSKVCVXCPF-UHFFFAOYSA-N 0 0 426.520 5.475 50 0 IKAARN CCOc1ccc(NC(=O)N(Cc2cc(-c3ccc(OC)cc3)on2)Cc2ccco2)cc1 ZINC000034922358 555932619 /nfs/dbraw/zinc/93/26/19/555932619.db2.gz DVQRIIHIJZCZHZ-UHFFFAOYSA-N 0 0 447.491 5.576 50 0 IKAARN CCOc1ccccc1NC(=O)N(Cc1cc(-c2ccccc2OC)on1)Cc1ccco1 ZINC000034922397 555932673 /nfs/dbraw/zinc/93/26/73/555932673.db2.gz SUWYBIPYTRABNS-UHFFFAOYSA-N 0 0 447.491 5.576 50 0 IKAARN CCC(=O)N(Cc1cccn1Cc1csc(-c2ccc(OC)cc2)n1)Cc1ccccc1 ZINC000034924047 555932971 /nfs/dbraw/zinc/93/29/71/555932971.db2.gz PZXAIORZZBMMIZ-UHFFFAOYSA-N 0 0 445.588 5.607 50 0 IKAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)c2ccc(Cl)cc2Cl)CC3)c1 ZINC000034927281 555933320 /nfs/dbraw/zinc/93/33/20/555933320.db2.gz PRBFRBNCWYMBSW-UHFFFAOYSA-N 0 0 435.376 5.014 50 0 IKAARN COc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1OCc1cccc2ccccc21 ZINC000003412656 555933609 /nfs/dbraw/zinc/93/36/09/555933609.db2.gz HRDRTMGRNCNVQI-KQWNVCNZSA-N 0 0 426.516 5.583 50 0 IKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000034912601 555934530 /nfs/dbraw/zinc/93/45/30/555934530.db2.gz QYEITSVURJBTFG-UHFFFAOYSA-N 0 0 445.563 5.482 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)c1ccc(Cl)cc1Cl ZINC000034913163 555934576 /nfs/dbraw/zinc/93/45/76/555934576.db2.gz ZMHHQEAVTQGOMT-UHFFFAOYSA-N 0 0 430.722 6.522 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034913183 555934585 /nfs/dbraw/zinc/93/45/85/555934585.db2.gz ZPXDJUDSDCAEJG-UHFFFAOYSA-N 0 0 429.829 6.234 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccccc1SCc1ccccc1)oc1ccccc12 ZINC000003460825 555935506 /nfs/dbraw/zinc/93/55/06/555935506.db2.gz IBMMJIOAWRMHLZ-UHFFFAOYSA-N 0 0 439.536 7.139 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)cc1COC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003467313 555935964 /nfs/dbraw/zinc/93/59/64/555935964.db2.gz NVUHTKIDGTVEGQ-UHFFFAOYSA-N 0 0 425.790 6.556 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(Nc3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000003624949 555941408 /nfs/dbraw/zinc/94/14/08/555941408.db2.gz MCHRJXFBOQUCOU-UHFFFAOYSA-N 0 0 428.561 5.911 50 0 IKAARN Cc1ccc(Cc2c(C)nc3nc(SCc4c(F)cccc4Cl)nn3c2C)cc1 ZINC000003631749 555942053 /nfs/dbraw/zinc/94/20/53/555942053.db2.gz RPPRUUNLKLKNNB-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN Cc1cccc(Cc2c(C)nc3nc(SCc4ccc(F)cc4Cl)nn3c2C)c1 ZINC000003631689 555942076 /nfs/dbraw/zinc/94/20/76/555942076.db2.gz MYTHRLJQUGXLGS-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)s2)cc1 ZINC000003633884 555942389 /nfs/dbraw/zinc/94/23/89/555942389.db2.gz JOLDNTJGDFQJAE-CJLVFECKSA-N 0 0 427.529 5.317 50 0 IKAARN Cc1nc2nc(SCc3c(F)cccc3Cl)nn2c(C)c1Cc1cccc(Cl)c1 ZINC000003638108 555942482 /nfs/dbraw/zinc/94/24/82/555942482.db2.gz FTFJFEKLVHLLGR-UHFFFAOYSA-N 0 0 447.366 6.070 50 0 IKAARN Cc1ccc(CSc2nc3nc(C)c(Cc4ccc(F)cc4Cl)c(C)n3n2)cc1 ZINC000003638311 555942736 /nfs/dbraw/zinc/94/27/36/555942736.db2.gz OLJVTQRFAPRZDJ-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN Cc1nc2nc(SCc3ccc(F)cc3Cl)nn2c(C)c1Cc1ccccc1Cl ZINC000003638207 555942769 /nfs/dbraw/zinc/94/27/69/555942769.db2.gz VGNSGJIXUSOFJN-UHFFFAOYSA-N 0 0 447.366 6.070 50 0 IKAARN Cc1ccc(CSc2nc3nc(C)c(Cc4c(F)cccc4Cl)c(C)n3n2)cc1 ZINC000003638257 555942787 /nfs/dbraw/zinc/94/27/87/555942787.db2.gz GUVXYEWJQBJXSC-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN COc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1C ZINC000003640694 555942984 /nfs/dbraw/zinc/94/29/84/555942984.db2.gz GHAKPHBTRVBQFK-QHCPKHFHSA-N 0 0 442.544 5.651 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)Nc1ccc(Br)cc1-2 ZINC000003640774 555943012 /nfs/dbraw/zinc/94/30/12/555943012.db2.gz GVHWWFAUNBYNCF-QGZVFWFLSA-N 0 0 429.343 5.225 50 0 IKAARN Fc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1 ZINC000003642155 555943328 /nfs/dbraw/zinc/94/33/28/555943328.db2.gz MPWCURCZTZMWHZ-UHFFFAOYSA-N 0 0 433.408 6.912 50 0 IKAARN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)s1 ZINC000003643764 555943410 /nfs/dbraw/zinc/94/34/10/555943410.db2.gz QIYBOQUUBVZITG-KRWDZBQOSA-N 0 0 437.908 5.171 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000003642158 555943414 /nfs/dbraw/zinc/94/34/14/555943414.db2.gz VWFOVRZHRCQEGD-UHFFFAOYSA-N 0 0 449.863 7.427 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000003653252 555943886 /nfs/dbraw/zinc/94/38/86/555943886.db2.gz ACLAFIRPRAJAKM-QFIPXVFZSA-N 0 0 438.528 5.404 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@H](c2cccs2)Nc2ccccc2-3)cc1 ZINC000003653317 555943922 /nfs/dbraw/zinc/94/39/22/555943922.db2.gz MZVGTGKYDNUZPH-LJQANCHMSA-N 0 0 438.965 6.049 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 ZINC000003655179 555944254 /nfs/dbraw/zinc/94/42/54/555944254.db2.gz PVKUVAKDYKUPPS-QHCPKHFHSA-N 0 0 434.565 5.655 50 0 IKAARN Cc1cccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c3ccccc32)c1 ZINC000003659106 555944569 /nfs/dbraw/zinc/94/45/69/555944569.db2.gz IKZVFRGCHXXHCZ-ZVHZXABRSA-N 0 0 439.490 5.230 50 0 IKAARN Cc1ccc(S(=O)(=O)N2c3cc(C)c(C)cc3-c3c(ssc3=S)C2(C)C)cc1 ZINC000003770960 555946325 /nfs/dbraw/zinc/94/63/25/555946325.db2.gz QPTQIJDXAYSQPQ-UHFFFAOYSA-N 0 0 447.672 6.575 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)CSc1nc[nH]n1)C(C)(C)c1ssc(=S)c1-2 ZINC000003770969 555946346 /nfs/dbraw/zinc/94/63/46/555946346.db2.gz WLYXCVOMWKGGFI-UHFFFAOYSA-N 0 0 434.637 5.315 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000003770802 555946348 /nfs/dbraw/zinc/94/63/48/555946348.db2.gz KOKXBKLRFQJTLH-UHFFFAOYSA-N 0 0 428.532 6.372 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)cc1Cl ZINC000003770811 555946356 /nfs/dbraw/zinc/94/63/56/555946356.db2.gz JDSLLRLUJWYWOM-UHFFFAOYSA-N 0 0 441.314 6.679 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)OCc1ccc(Cl)cc1 ZINC000003770812 555946378 /nfs/dbraw/zinc/94/63/78/555946378.db2.gz NWPRDWZCLACYNU-UHFFFAOYSA-N 0 0 429.259 6.256 50 0 IKAARN COc1ccc(C(=O)CSC2=NC(=Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000003772606 555946717 /nfs/dbraw/zinc/94/67/17/555946717.db2.gz LKLWOAVYWWUNIR-PXLXIMEGSA-N 0 0 446.503 5.194 50 0 IKAARN CC(C)c1ccc(N[C@H](c2ccc(Br)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000003877628 555950196 /nfs/dbraw/zinc/95/01/96/555950196.db2.gz UEIQKGORCSFFPI-VPDXNNENSA-N 0 0 438.302 6.702 50 0 IKAARN C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=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 ZINC000003978797 555952177 /nfs/dbraw/zinc/95/21/77/555952177.db2.gz XUARCIYIVXVTAE-ZAPOICBTSA-N 0 0 442.728 6.997 50 0 endogenous,in-man IKAARN Clc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000004012932 555952823 /nfs/dbraw/zinc/95/28/23/555952823.db2.gz MSTKXIKKYVMIQK-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004012894 555952827 /nfs/dbraw/zinc/95/28/27/555952827.db2.gz XQJKUUITRNAXPW-UHFFFAOYSA-N 0 0 448.563 5.114 50 0 IKAARN CC(=O)Nc1c(C)cc(C(c2ccc(F)cc2)c2cc(C)c(NC(C)=O)c(C)c2)cc1C ZINC000004010770 555952895 /nfs/dbraw/zinc/95/28/95/555952895.db2.gz XZYSUZJOCUKPTF-UHFFFAOYSA-N 0 0 432.539 6.156 50 0 IKAARN FC(F)(F)c1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 ZINC000004031156 555953856 /nfs/dbraw/zinc/95/38/56/555953856.db2.gz GUKUCZTYOKIMQA-OAQYLSRUSA-N 0 0 445.282 6.824 50 0 IKAARN O=C(c1ccccc1Cl)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000004044654 555955318 /nfs/dbraw/zinc/95/53/18/555955318.db2.gz AWZNDLPVDDDQJZ-VWLOTQADSA-N 0 0 432.995 6.876 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cccc3ccccc32)cccc1-c1nc2ccccc2o1 ZINC000004090591 555961411 /nfs/dbraw/zinc/96/14/11/555961411.db2.gz SZPQWBVAHOUZSI-UHFFFAOYSA-N 0 0 437.524 6.083 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1Cl ZINC000004112992 555963854 /nfs/dbraw/zinc/96/38/54/555963854.db2.gz UQBCIXKISUJPTM-UHFFFAOYSA-N 0 0 441.343 5.664 50 0 IKAARN COc1ccc(/C=C/c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 ZINC000004146021 555968131 /nfs/dbraw/zinc/96/81/31/555968131.db2.gz ZUEWVZSLZPDZTK-OBGWFSINSA-N 0 0 425.532 5.657 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 ZINC000004163414 555970476 /nfs/dbraw/zinc/97/04/76/555970476.db2.gz DKNPZRUGYWSHSX-XMCHAPAWSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 ZINC000004163449 555970622 /nfs/dbraw/zinc/97/06/22/555970622.db2.gz ZCLHYOSGLYGZBR-LXGCGDOSSA-N 0 0 444.457 5.157 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004174584 555973112 /nfs/dbraw/zinc/97/31/12/555973112.db2.gz COHHINVPZAHRJL-NYQDVAGCSA-N 0 0 449.547 5.504 50 0 biogenic IKAARN Fc1ccccc1-n1c(SCc2ccccc2C(F)(F)F)nnc1-c1cccnc1 ZINC000004185710 555974614 /nfs/dbraw/zinc/97/46/14/555974614.db2.gz ZBNIDVOJPIKFEY-UHFFFAOYSA-N 0 0 430.430 5.780 50 0 IKAARN Cc1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000004186420 555974752 /nfs/dbraw/zinc/97/47/52/555974752.db2.gz FKJKOEVSSJCSLF-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN Cc1ccc(C(=O)Oc2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000004207930 555975975 /nfs/dbraw/zinc/97/59/75/555975975.db2.gz UYZYWBCWHMVUQG-UHFFFAOYSA-N 0 0 426.255 5.322 50 0 IKAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004201891 555976032 /nfs/dbraw/zinc/97/60/32/555976032.db2.gz AYPMXCIGTQUCFB-DNQXCXABSA-N 0 0 442.906 5.153 50 0 IKAARN CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000004290103 555983082 /nfs/dbraw/zinc/98/30/82/555983082.db2.gz GXIKVWZIWORMAX-UHFFFAOYSA-N 0 0 430.456 6.568 50 0 IKAARN CCCCCc1ccc2c(c1)Cc1cc(OC(=O)C3CCC(CCCCC)CC3)ccc1-2 ZINC000004300886 555984006 /nfs/dbraw/zinc/98/40/06/555984006.db2.gz QGTXOQOKPDFOEN-UHFFFAOYSA-N 0 0 432.648 8.283 50 0 IKAARN O=C(N[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)c1ccccc1)c1ccccc1 ZINC000004426714 555994317 /nfs/dbraw/zinc/99/43/17/555994317.db2.gz JSAMKBQBFLMMEB-FQEVSTJZSA-N 0 0 432.829 5.410 50 0 IKAARN Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000004438669 555994859 /nfs/dbraw/zinc/99/48/59/555994859.db2.gz DYQPOYYKSDGXFL-INIZCTEOSA-N 0 0 426.651 6.407 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000004481207 555996981 /nfs/dbraw/zinc/99/69/81/555996981.db2.gz QGUOCZRZNROPNW-UHFFFAOYSA-N 0 0 445.844 5.164 50 0 IKAARN CCCCN(CCCC)C(=S)COCCOCC(=S)N(CCCC)CCCC ZINC000004521294 555999335 /nfs/dbraw/zinc/99/93/35/555999335.db2.gz NKWPVGBRWCCVGT-UHFFFAOYSA-N 0 0 432.740 5.479 50 0 IKAARN O=C(C[C@@H](c1ccccc1Br)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531632 555999877 /nfs/dbraw/zinc/99/98/77/555999877.db2.gz RWFMPPSACVDGKM-PMACEKPBSA-N 0 0 447.800 6.999 50 0 IKAARN Cc1ccc([C@@H](CC(=O)c2cccc(Br)c2)[C@@H]2CCCCCCC2=O)cc1 ZINC000004531622 555999926 /nfs/dbraw/zinc/99/99/26/555999926.db2.gz JCWYRGIMQCPZNY-FCHUYYIVSA-N 0 0 427.382 6.654 50 0 IKAARN O=C(C[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531615 555999936 /nfs/dbraw/zinc/99/99/36/555999936.db2.gz FIGZYBNHRIZPHX-RTBURBONSA-N 0 0 437.794 7.543 50 0 IKAARN O=C(C[C@@H](c1ccc(Br)cc1)[C@H]1CCCCCCC1=O)c1ccccc1Cl ZINC000004531636 555999943 /nfs/dbraw/zinc/99/99/43/555999943.db2.gz OONLQIVENUSPJG-QUCCMNQESA-N 0 0 447.800 6.999 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000004551521 556000837 /nfs/dbraw/zinc/00/08/37/556000837.db2.gz MFUGQVAFBLZGIH-UHFFFAOYSA-N 0 0 425.532 6.295 50 0 IKAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 ZINC000004614318 556004313 /nfs/dbraw/zinc/00/43/13/556004313.db2.gz DQYHLMDNBLKRNE-BITABPLHSA-N 0 0 429.604 6.178 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 ZINC000004646523 556005006 /nfs/dbraw/zinc/00/50/06/556005006.db2.gz GPUFBDGDSHCGJK-QRQLOZEOSA-N 0 0 425.594 5.818 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 ZINC000004660848 556005294 /nfs/dbraw/zinc/00/52/94/556005294.db2.gz JJMQQBVJXJKAJY-MRXNPFEDSA-N 0 0 427.566 5.783 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1C ZINC000004660870 556005680 /nfs/dbraw/zinc/00/56/80/556005680.db2.gz WNKSOVUCYYNQLZ-SFHVURJKSA-N 0 0 425.594 6.310 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(C)ccc1C ZINC000004671162 556005957 /nfs/dbraw/zinc/00/59/57/556005957.db2.gz DDWSLHZZXWWIQG-UHFFFAOYSA-N 0 0 425.550 5.450 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)Cc3ccccc3Br)ccc2n1 ZINC000004757339 556009728 /nfs/dbraw/zinc/00/97/28/556009728.db2.gz ITESQGHQWYIDPR-UHFFFAOYSA-N 0 0 426.358 5.333 50 0 IKAARN O=C(NC[C@@H](c1ccccc1)C1CCCCC1)NC1c2ccccc2Oc2ccccc21 ZINC000004760921 556010310 /nfs/dbraw/zinc/01/03/10/556010310.db2.gz GVLIBYKYYQSRNA-DEOSSOPVSA-N 0 0 426.560 6.545 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2Cl)c(C)c1 ZINC000004768024 556010923 /nfs/dbraw/zinc/01/09/23/556010923.db2.gz RNNLUXYGFGJPBC-DEOSSOPVSA-N 0 0 442.950 6.234 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000004783785 556011575 /nfs/dbraw/zinc/01/15/75/556011575.db2.gz HUVSBVPVHJOISO-UHFFFAOYSA-N 0 0 426.560 5.402 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)NCCOc2cc(C)cc(C)c2)c1 ZINC000004779456 556011580 /nfs/dbraw/zinc/01/15/80/556011580.db2.gz NTQIHFFXHJLRDK-UHFFFAOYSA-N 0 0 431.576 6.123 50 0 IKAARN CCCC[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004808002 556012745 /nfs/dbraw/zinc/01/27/45/556012745.db2.gz JOJQEUXIVOQZQP-NHCUHLMSSA-N 0 0 434.646 5.413 50 0 IKAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000004821395 556013380 /nfs/dbraw/zinc/01/33/80/556013380.db2.gz ZVOTWIMFWKQVJI-UHFFFAOYSA-N 0 0 425.532 5.696 50 0 IKAARN Cc1cc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)nn1Cc1ccc(Cl)cc1 ZINC000004881332 556017657 /nfs/dbraw/zinc/01/76/57/556017657.db2.gz WPVLCZMONZCISA-MRXNPFEDSA-N 0 0 426.948 5.285 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911972 556020873 /nfs/dbraw/zinc/02/08/73/556020873.db2.gz HLERQKOYOVDVKU-HXUWFJFHSA-N 0 0 428.576 6.402 50 0 IKAARN CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)CCCC)cc3)cc2)nc1 ZINC000005118993 556032929 /nfs/dbraw/zinc/03/29/29/556032929.db2.gz NCJFRQFYIXOXCS-UHFFFAOYSA-N 0 0 429.560 7.073 50 0 IKAARN Cc1ccc(Cc2cnc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)s2)cc1F ZINC000071901672 556035163 /nfs/dbraw/zinc/03/51/63/556035163.db2.gz MBJQBBJOJNTLCH-UHFFFAOYSA-N 0 0 444.963 5.189 50 0 IKAARN CC(=O)O/C=C(\C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000005220636 556037789 /nfs/dbraw/zinc/03/77/89/556037789.db2.gz XMNVJWVQDFNIJF-XNRFZVLOSA-N 0 0 430.585 5.223 50 0 IKAARN COc1ccc(C(=O)CSc2ncc(-c3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000005298046 556043933 /nfs/dbraw/zinc/04/39/33/556043933.db2.gz JEIAKLYYHQRDLM-UHFFFAOYSA-N 0 0 434.948 6.176 50 0 IKAARN CSc1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(SC)cc2)cc1 ZINC000005368506 556048297 /nfs/dbraw/zinc/04/82/97/556048297.db2.gz LFXYNXYAUJMXKZ-UHFFFAOYSA-N 0 0 446.642 5.634 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1C ZINC000002231659 556063316 /nfs/dbraw/zinc/06/33/16/556063316.db2.gz WWASPRJMNMLSOZ-UHFFFAOYSA-N 0 0 439.494 5.223 50 0 IKAARN CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C ZINC000005758427 556064905 /nfs/dbraw/zinc/06/49/05/556064905.db2.gz ZWYAVGUHWPLBGT-UHFFFAOYSA-N 0 0 426.682 7.626 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000005825364 556067311 /nfs/dbraw/zinc/06/73/11/556067311.db2.gz GJDBNSDHXIUIPN-UHFFFAOYSA-N 0 0 429.564 6.181 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)cc1 ZINC000005944355 556069979 /nfs/dbraw/zinc/06/99/79/556069979.db2.gz OGADLRGBVPYSET-UHFFFAOYSA-N 0 0 447.604 5.502 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3c2C1 ZINC000006059809 556073445 /nfs/dbraw/zinc/07/34/45/556073445.db2.gz JBDOJOGACHQCBX-LJQANCHMSA-N 0 0 439.621 6.700 50 0 IKAARN CCC1=C[C@](C)(CC)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000006077822 556075263 /nfs/dbraw/zinc/07/52/63/556075263.db2.gz RBHPFOOQFJIKCB-YTTGMZPUSA-N 0 0 443.634 8.457 50 0 IKAARN CCN1C(=O)/C(=C\C=C2/Oc3ccc4ccccc4c3N2C)N(c2ccccc2)C1=S ZINC000006147079 556078314 /nfs/dbraw/zinc/07/83/14/556078314.db2.gz IEFKVISFYXRZFE-JWCYHVNLSA-N 0 0 427.529 5.047 50 0 IKAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000006246580 556082950 /nfs/dbraw/zinc/08/29/50/556082950.db2.gz YMTVHWDXMDVICL-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)c2cccs2)cc1 ZINC000002351237 556083368 /nfs/dbraw/zinc/08/33/68/556083368.db2.gz ZVCAVBRAYPNCSI-UHFFFAOYSA-N 0 0 445.544 5.147 50 0 IKAARN CCSc1nnc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)s1 ZINC000006390032 556086298 /nfs/dbraw/zinc/08/62/98/556086298.db2.gz TZFXMCDMEQBQIJ-UHFFFAOYSA-N 0 0 427.942 5.166 50 0 IKAARN CC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)c1ccccc1 ZINC000006390405 556086364 /nfs/dbraw/zinc/08/63/64/556086364.db2.gz QPSZENBLYIPTGS-OAQYLSRUSA-N 0 0 446.348 5.940 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl ZINC000006406319 556086580 /nfs/dbraw/zinc/08/65/80/556086580.db2.gz RTLFARBXXQDIGS-UHFFFAOYSA-N 0 0 436.924 5.019 50 0 IKAARN COc1ccc2nc(NC(=O)c3cc(-c4ccccn4)nc4ccc(Cl)cc43)sc2c1 ZINC000006427020 556086958 /nfs/dbraw/zinc/08/69/58/556086958.db2.gz QBMKJJOTXNFLHY-UHFFFAOYSA-N 0 0 446.919 5.821 50 0 IKAARN Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)c1 ZINC000006431115 556087327 /nfs/dbraw/zinc/08/73/27/556087327.db2.gz RGQNQCNMAWPMNG-UHFFFAOYSA-N 0 0 439.849 6.112 50 0 IKAARN O=C(c1ccccc1)c1cccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccccc2)c1 ZINC000006446751 556088567 /nfs/dbraw/zinc/08/85/67/556088567.db2.gz QJHMYPNHGVUJKQ-UHFFFAOYSA-N 0 0 434.926 7.295 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)c(OC)cc1Cl ZINC000006456017 556088921 /nfs/dbraw/zinc/08/89/21/556088921.db2.gz RJDYVEWTUAJEPU-UHFFFAOYSA-N 0 0 433.895 5.528 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3ccncc3)nc3ccc(C)cc32)nc1-c1ccccc1 ZINC000006456033 556088941 /nfs/dbraw/zinc/08/89/41/556088941.db2.gz XTZBJIGEMBCHDY-UHFFFAOYSA-N 0 0 436.540 6.289 50 0 IKAARN COc1ccc(C(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn32)cc1OC ZINC000002398685 556088985 /nfs/dbraw/zinc/08/89/85/556088985.db2.gz PSBCZJFOOKLTCJ-UHFFFAOYSA-N 0 0 433.533 5.005 50 0 IKAARN O=C(Nc1ccncc1)c1cc(-c2ccccc2Cl)nc2ccc(Br)cc21 ZINC000006457196 556089334 /nfs/dbraw/zinc/08/93/34/556089334.db2.gz IZWBSGQRBMDALH-UHFFFAOYSA-N 0 0 438.712 5.965 50 0 IKAARN O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3cccc(F)c3)nc2-c2ccccc2)cc1 ZINC000006460666 556089662 /nfs/dbraw/zinc/08/96/62/556089662.db2.gz JVKZCKWQRBAWMC-UHFFFAOYSA-N 0 0 436.461 6.920 50 0 IKAARN CCOC(=O)c1c(Cc2ccccc2)c(-c2ccccc2)sc1NC(=O)c1ccccc1 ZINC000006599501 556096509 /nfs/dbraw/zinc/09/65/09/556096509.db2.gz DNFOUYUSLYCCNP-UHFFFAOYSA-N 0 0 441.552 6.435 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000006601509 556097417 /nfs/dbraw/zinc/09/74/17/556097417.db2.gz FZRVRLNSLVYLIC-LADGPHEKSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000006601766 556097760 /nfs/dbraw/zinc/09/77/60/556097760.db2.gz JIYGUEBKZPURAW-UPVQGACJSA-N 0 0 449.348 6.090 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002434745 556099476 /nfs/dbraw/zinc/09/94/76/556099476.db2.gz PVSAMPRIZAZPKO-HXUWFJFHSA-N 0 0 449.507 5.040 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC(C)(C)C)C2CCCCC2)c1 ZINC000006712166 556101953 /nfs/dbraw/zinc/10/19/53/556101953.db2.gz BGQPITUPCUXQGC-UHFFFAOYSA-N 0 0 429.649 5.835 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722156 556102018 /nfs/dbraw/zinc/10/20/18/556102018.db2.gz TZRASKQUDVWNRH-QGZVFWFLSA-N 0 0 429.630 5.630 50 0 IKAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2cccc(C(=O)NC(C)C)c2)n1 ZINC000006765337 556103672 /nfs/dbraw/zinc/10/36/72/556103672.db2.gz CULZZQNRXVEBFL-UHFFFAOYSA-N 0 0 426.630 5.238 50 0 IKAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F ZINC000006821301 556105119 /nfs/dbraw/zinc/10/51/19/556105119.db2.gz SDYDJBWUOMWXJC-ZWKOPEQDSA-N 0 0 435.277 5.379 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3cc(C)ccc3C)nc(-c3ccccc3)nc12 ZINC000006860493 556106805 /nfs/dbraw/zinc/10/68/05/556106805.db2.gz ITNNQEBXSBHOAU-UHFFFAOYSA-N 0 0 427.573 6.207 50 0 IKAARN CN(C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000006878612 556107819 /nfs/dbraw/zinc/10/78/19/556107819.db2.gz SQOQVOKTYJZEGF-UHFFFAOYSA-N 0 0 436.506 5.375 50 0 IKAARN O=C(Nc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1)c1cccnc1Cl ZINC000002562198 556111262 /nfs/dbraw/zinc/11/12/62/556111262.db2.gz ULGCGHAEJJOCOR-UHFFFAOYSA-N 0 0 444.265 6.206 50 0 IKAARN CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(OCC)c1OCC ZINC000002621003 556114505 /nfs/dbraw/zinc/11/45/05/556114505.db2.gz TVPPATZFOJYBRI-UHFFFAOYSA-N 0 0 431.838 5.807 50 0 IKAARN Cc1cc(-c2csc(N[C@@H](C)c3ccccc3)n2)c(C)n1CCc1ccc(Cl)cc1 ZINC000002647096 556117506 /nfs/dbraw/zinc/11/75/06/556117506.db2.gz FXJFVJUYIGPLNI-SFHVURJKSA-N 0 0 436.024 7.298 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000002674195 556118317 /nfs/dbraw/zinc/11/83/17/556118317.db2.gz UWEIALNJIZNATP-SCOAYWHSSA-N 0 0 438.569 5.931 50 0 IKAARN CCCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccccc1 ZINC000002677555 556118425 /nfs/dbraw/zinc/11/84/25/556118425.db2.gz KYMIFPUSDHPUCB-ZHZULCJRSA-N 0 0 443.330 5.551 50 0 IKAARN O=C(c1ccc2ccccc2c1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002685926 556118919 /nfs/dbraw/zinc/11/89/19/556118919.db2.gz CNNXPSBQLUHWEU-RUZDIDTESA-N 0 0 426.903 5.677 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1C ZINC000002685525 556118922 /nfs/dbraw/zinc/11/89/22/556118922.db2.gz PCXKSCDTPJCOKQ-UHFFFAOYSA-N 0 0 429.513 5.281 50 0 IKAARN Cc1oc(-c2cc(Cl)ccc2Cl)cc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000002685701 556119014 /nfs/dbraw/zinc/11/90/14/556119014.db2.gz UKJBRPCEGKRHAI-UHFFFAOYSA-N 0 0 427.316 6.395 50 0 IKAARN Cc1cccc(C(=O)N[C@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)c1 ZINC000002688045 556119057 /nfs/dbraw/zinc/11/90/57/556119057.db2.gz FYDZXSKSVCPIHD-HNNXBMFYSA-N 0 0 425.665 5.552 50 0 IKAARN Cc1ccc(Cn2cc3c(-c4ccc5c(c4)OCO5)nnc-3c3cc4c(cc32)OCO4)cc1 ZINC000002688738 556119359 /nfs/dbraw/zinc/11/93/59/556119359.db2.gz KCNYHAYHSSHWOZ-UHFFFAOYSA-N 0 0 437.455 5.017 50 0 IKAARN Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCCO5)cc1 ZINC000002688839 556119641 /nfs/dbraw/zinc/11/96/41/556119641.db2.gz NVJLZQVDIBINLG-UHFFFAOYSA-N 0 0 445.881 5.815 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1C ZINC000002690094 556119694 /nfs/dbraw/zinc/11/96/94/556119694.db2.gz GBSSMJYPGOCKAF-UHFFFAOYSA-N 0 0 439.490 5.779 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1C ZINC000002690106 556120024 /nfs/dbraw/zinc/12/00/24/556120024.db2.gz ZLJIAUKTVYOGSM-UHFFFAOYSA-N 0 0 439.490 5.779 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc4c(cc32)OCO4)c1 ZINC000002690131 556120038 /nfs/dbraw/zinc/12/00/38/556120038.db2.gz BFBWGMHFUUJZSZ-UHFFFAOYSA-N 0 0 437.499 5.606 50 0 IKAARN COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3ccc(F)cc3)c2cc1OC ZINC000002691937 556120301 /nfs/dbraw/zinc/12/03/01/556120301.db2.gz YHPKIXPRAYOIAT-UHFFFAOYSA-N 0 0 441.506 6.025 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000002694059 556120868 /nfs/dbraw/zinc/12/08/68/556120868.db2.gz VBEDAKPVXRKHRW-UHFFFAOYSA-N 0 0 435.863 5.587 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(F)cc3c2=O)cc1 ZINC000002693895 556120901 /nfs/dbraw/zinc/12/09/01/556120901.db2.gz MAEBVSGTMBJWBM-UHFFFAOYSA-N 0 0 435.520 5.145 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1cccc(F)c1 ZINC000002699125 556121717 /nfs/dbraw/zinc/12/17/17/556121717.db2.gz HRHBEBCYWYXZDQ-UHFFFAOYSA-N 0 0 441.462 5.518 50 0 IKAARN CCc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4F)cc2-3)cc1 ZINC000002691313 556122075 /nfs/dbraw/zinc/12/20/75/556122075.db2.gz OUQNMYIPUZNHNU-UHFFFAOYSA-N 0 0 441.506 5.970 50 0 IKAARN COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC ZINC000002691344 556122309 /nfs/dbraw/zinc/12/23/09/556122309.db2.gz UDBULEMYJGHWPM-UHFFFAOYSA-N 0 0 427.479 5.716 50 0 IKAARN Brc1cccc(-c2nnn3c2nc(N2CCc4ccccc42)c2ccccc23)c1 ZINC000002713106 556122382 /nfs/dbraw/zinc/12/23/82/556122382.db2.gz SHVMLGNYOZIBIK-UHFFFAOYSA-N 0 0 442.320 5.401 50 0 IKAARN CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002712958 556122472 /nfs/dbraw/zinc/12/24/72/556122472.db2.gz CSNLSEYSIMBWFA-UHFFFAOYSA-N 0 0 431.513 5.006 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002703874 556122950 /nfs/dbraw/zinc/12/29/50/556122950.db2.gz DOHXTASUIICAML-OAQYLSRUSA-N 0 0 446.528 5.405 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(Cc1ccccc1Cl)C3=O ZINC000002704197 556123231 /nfs/dbraw/zinc/12/32/31/556123231.db2.gz PVXRCEXPQMRTLY-JOCHJYFZSA-N 0 0 431.875 5.206 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O ZINC000002704165 556123246 /nfs/dbraw/zinc/12/32/46/556123246.db2.gz NVKOFZIYLILVTP-QFIPXVFZSA-N 0 0 431.875 5.206 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002704240 556123596 /nfs/dbraw/zinc/12/35/96/556123596.db2.gz SKBVONNDGGSFKH-JOCHJYFZSA-N 0 0 431.875 5.206 50 0 IKAARN COc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 ZINC000002707462 556124146 /nfs/dbraw/zinc/12/41/46/556124146.db2.gz IIABCXAQRXQWLR-VXKWHMMOSA-N 0 0 448.935 5.562 50 0 IKAARN Cc1cc(C)nc(SCc2nnc(SC(C)C)n2-c2cccc(C(F)(F)F)c2)n1 ZINC000002706444 556124172 /nfs/dbraw/zinc/12/41/72/556124172.db2.gz NPMFWKABBOSYBL-UHFFFAOYSA-N 0 0 439.532 5.486 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000002707297 556124190 /nfs/dbraw/zinc/12/41/90/556124190.db2.gz XACJGYUUYIEBNA-PKTZIBPZSA-N 0 0 428.517 5.217 50 0 IKAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1cccc2ccccc21 ZINC000002711771 556125345 /nfs/dbraw/zinc/12/53/45/556125345.db2.gz ALRUKSLUUSHSCZ-UHFFFAOYSA-N 0 0 432.570 5.287 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2cccc(C(F)(F)F)c2)CCS3)cc1 ZINC000002719785 556125952 /nfs/dbraw/zinc/12/59/52/556125952.db2.gz IRXYSAYUZKUQAV-UHFFFAOYSA-N 0 0 434.508 5.500 50 0 IKAARN Cc1ccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)cc1 ZINC000002720049 556126498 /nfs/dbraw/zinc/12/64/98/556126498.db2.gz UONOMDHVMPHPQT-UHFFFAOYSA-N 0 0 445.407 5.244 50 0 IKAARN O=c1c2c(nc(SCc3ccccc3F)n1-c1ccc(Br)cc1)CCS2 ZINC000002720052 556126505 /nfs/dbraw/zinc/12/65/05/556126505.db2.gz CQUGACXGKSZPMG-UHFFFAOYSA-N 0 0 449.370 5.075 50 0 IKAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)c1ccc(Cl)cc1 ZINC000002720025 556126518 /nfs/dbraw/zinc/12/65/18/556126518.db2.gz FJBKFLNJFBIACJ-UHFFFAOYSA-N 0 0 449.384 5.163 50 0 IKAARN Cc1ccc(CSc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002721762 556127692 /nfs/dbraw/zinc/12/76/92/556127692.db2.gz BGHAPNNYSCDJAO-UHFFFAOYSA-N 0 0 445.562 5.976 50 0 IKAARN O=S(=O)(c1nc(-c2cccs2)oc1SCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000002721758 556127737 /nfs/dbraw/zinc/12/77/37/556127737.db2.gz NDCKQTJHHDKYHU-UHFFFAOYSA-N 0 0 449.525 5.806 50 0 IKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002721146 556127740 /nfs/dbraw/zinc/12/77/40/556127740.db2.gz OVFZCQWPNYZJHS-UHFFFAOYSA-N 0 0 448.591 7.024 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1cc(C)ccc1C ZINC000002722323 556128264 /nfs/dbraw/zinc/12/82/64/556128264.db2.gz NMPZQCRLEGCCLM-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3ccccc3C)c2c1 ZINC000002722592 556128296 /nfs/dbraw/zinc/12/82/96/556128296.db2.gz IYXULCBFXYZUQD-UHFFFAOYSA-N 0 0 449.645 6.297 50 0 IKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1Cl ZINC000002714143 556129412 /nfs/dbraw/zinc/12/94/12/556129412.db2.gz OTUMYRVXIOGITJ-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cccc(F)c2)cc1Cl ZINC000002714229 556129518 /nfs/dbraw/zinc/12/95/18/556129518.db2.gz MIRRTXWIYRNTCM-UHFFFAOYSA-N 0 0 428.898 6.932 50 0 IKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2Cl)cc1 ZINC000002714046 556129547 /nfs/dbraw/zinc/12/95/47/556129547.db2.gz VIBJPLPRNHJTGE-UHFFFAOYSA-N 0 0 428.898 6.492 50 0 IKAARN Cc1cc(C)cc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)c1 ZINC000002714226 556129571 /nfs/dbraw/zinc/12/95/71/556129571.db2.gz ZQFGRDZATJZVCE-UHFFFAOYSA-N 0 0 438.962 7.410 50 0 IKAARN CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714564 556129779 /nfs/dbraw/zinc/12/97/79/556129779.db2.gz DYPYHNXMWKFAAE-UHFFFAOYSA-N 0 0 449.396 6.476 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccc(F)cc2)cc1 ZINC000002715212 556130111 /nfs/dbraw/zinc/13/01/11/556130111.db2.gz LZJQLOOESYFBKB-UHFFFAOYSA-N 0 0 438.506 6.237 50 0 IKAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccc(F)cc32)cc1 ZINC000002715793 556130273 /nfs/dbraw/zinc/13/02/73/556130273.db2.gz YPTCGKJTMWWIAI-UHFFFAOYSA-N 0 0 449.503 5.145 50 0 IKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC2=CCCCC2)cc1 ZINC000002714990 556130288 /nfs/dbraw/zinc/13/02/88/556130288.db2.gz GICPNRPQZODSDX-UHFFFAOYSA-N 0 0 428.967 7.043 50 0 IKAARN C[C@@H](Oc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1 ZINC000002716200 556130420 /nfs/dbraw/zinc/13/04/20/556130420.db2.gz PGXZDBXTQBINIA-QGZVFWFLSA-N 0 0 436.349 5.788 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002737661 556132176 /nfs/dbraw/zinc/13/21/76/556132176.db2.gz CHXIBUSQXJQPDC-HNNXBMFYSA-N 0 0 429.582 5.727 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 ZINC000002737227 556132198 /nfs/dbraw/zinc/13/21/98/556132198.db2.gz ZUZBRSHBRVJLAO-ZIAGYGMSSA-N 0 0 435.973 5.417 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 ZINC000002737226 556132201 /nfs/dbraw/zinc/13/22/01/556132201.db2.gz ZUZBRSHBRVJLAO-KGLIPLIRSA-N 0 0 435.973 5.417 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3n2)cc1C ZINC000002738037 556132496 /nfs/dbraw/zinc/13/24/96/556132496.db2.gz GDDSMZLOWBSYIZ-UHFFFAOYSA-N 0 0 438.453 5.004 50 0 IKAARN O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)N1CCc2ccccc2C1 ZINC000002738681 556132503 /nfs/dbraw/zinc/13/25/03/556132503.db2.gz AFGBQSQUFYELFJ-UHFFFAOYSA-N 0 0 433.338 6.407 50 0 biogenic,in-vitro IKAARN COc1ccc([C@H]2Nc3sc(C(C)C)cc3C(=O)N2)cc1COc1ccc(F)cc1F ZINC000002738006 556132535 /nfs/dbraw/zinc/13/25/35/556132535.db2.gz QAPUBNJISKHUPG-OAQYLSRUSA-N 0 0 444.503 5.591 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c3ccccc3n2)cc1 ZINC000002740793 556132699 /nfs/dbraw/zinc/13/26/99/556132699.db2.gz LOFUMKWCBUOIFO-UHFFFAOYSA-N 0 0 441.556 5.502 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002740588 556132808 /nfs/dbraw/zinc/13/28/08/556132808.db2.gz DAZOEDPDRCZNFZ-UHFFFAOYSA-N 0 0 447.288 5.645 50 0 IKAARN CCCCC1CCC(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)CC1 ZINC000002724148 556133014 /nfs/dbraw/zinc/13/30/14/556133014.db2.gz CQTDRVHHPKDWQK-WGJJQBRPSA-N 0 0 436.571 6.001 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002741485 556133038 /nfs/dbraw/zinc/13/30/38/556133038.db2.gz ILVDLXVFHNZPLU-UHFFFAOYSA-N 0 0 425.359 6.829 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)CC)C2 ZINC000002741609 556133096 /nfs/dbraw/zinc/13/30/96/556133096.db2.gz WCPAZWGRICLSIZ-LPHOPBHVSA-N 0 0 443.609 5.872 50 0 IKAARN CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724489 556133221 /nfs/dbraw/zinc/13/32/21/556133221.db2.gz FXDKXCDFEGTSHF-HSZRJFAPSA-N 0 0 438.886 5.062 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)Cc1cccc3ccccc31)CC(=O)N2 ZINC000002724284 556133319 /nfs/dbraw/zinc/13/33/19/556133319.db2.gz KYLBTWNKDROKAO-NDEPHWFRSA-N 0 0 438.502 5.400 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725340 556133632 /nfs/dbraw/zinc/13/36/32/556133632.db2.gz MOQBGKQZIVRDLO-MRXNPFEDSA-N 0 0 426.700 5.168 50 0 IKAARN O=C(Nc1cccc2ccccc21)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725449 556133686 /nfs/dbraw/zinc/13/36/86/556133686.db2.gz SCPVSGSELDTJLV-UHFFFAOYSA-N 0 0 443.208 5.956 50 0 IKAARN Cc1cc(NC(=O)c2ccn(COc3ccc(C(C)(C)C)cc3)n2)nn1Cc1ccccc1 ZINC000002729449 556133856 /nfs/dbraw/zinc/13/38/56/556133856.db2.gz LRCSWIRTPAUBGZ-UHFFFAOYSA-N 0 0 443.551 5.023 50 0 IKAARN CC[C@H](C)OC(=O)c1c(NC(=O)c2cc(Br)cs2)sc2c1CCCC2 ZINC000002731478 556134495 /nfs/dbraw/zinc/13/44/95/556134495.db2.gz HDHGHGRCGMGFST-JTQLQIEISA-N 0 0 442.400 5.659 50 0 IKAARN CC[C@@H](C)OC(=O)c1c(NC(=O)c2cc(Br)cs2)sc2c1CCCC2 ZINC000002731477 556134510 /nfs/dbraw/zinc/13/45/10/556134510.db2.gz HDHGHGRCGMGFST-SNVBAGLBSA-N 0 0 442.400 5.659 50 0 IKAARN Fc1ccccc1Cn1cc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC000002732735 556134868 /nfs/dbraw/zinc/13/48/68/556134868.db2.gz MLHHRPNYKYOWOX-UHFFFAOYSA-N 0 0 430.552 5.470 50 0 IKAARN Fc1cccc(Cn2ccc(NC(=S)N(Cc3ccccc3)Cc3ccccc3)n2)c1 ZINC000002732791 556134882 /nfs/dbraw/zinc/13/48/82/556134882.db2.gz XBNUJEYWMBOJIU-UHFFFAOYSA-N 0 0 430.552 5.470 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2cccc(C(F)(F)F)c2)c1-c1ccc(C)c(C)c1 ZINC000002733269 556135127 /nfs/dbraw/zinc/13/51/27/556135127.db2.gz XEWMPTZAKXCAHE-UHFFFAOYSA-N 0 0 448.532 7.826 50 0 IKAARN Cc1nn(CCCn2c(=O)c3ccccc3nc2SCc2ccccc2)c(C)c1Cl ZINC000002733942 556135142 /nfs/dbraw/zinc/13/51/42/556135142.db2.gz FVUVEYLFBFYPNZ-UHFFFAOYSA-N 0 0 438.984 5.246 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002736254 556135400 /nfs/dbraw/zinc/13/54/00/556135400.db2.gz GUMOSXIEFGYNCN-NSHDSACASA-N 0 0 440.392 6.245 50 0 IKAARN COc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)c(OC)c1 ZINC000002761055 556135424 /nfs/dbraw/zinc/13/54/24/556135424.db2.gz KQLYEXSCENOKKZ-UHFFFAOYSA-N 0 0 434.323 5.125 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(Cl)c(C)c4)cc3)sc2c1 ZINC000002761777 556135655 /nfs/dbraw/zinc/13/56/55/556135655.db2.gz BQJHHEMKEDYDCV-INIZCTEOSA-N 0 0 436.964 6.640 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3n2)c1 ZINC000002762688 556135736 /nfs/dbraw/zinc/13/57/36/556135736.db2.gz VLXGGSGRBVJBPK-UHFFFAOYSA-N 0 0 425.488 5.511 50 0 IKAARN COc1ccc(CNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)cc1 ZINC000002762418 556135740 /nfs/dbraw/zinc/13/57/40/556135740.db2.gz OURDSPAAIMZXNG-UHFFFAOYSA-N 0 0 426.516 5.628 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000002764398 556135985 /nfs/dbraw/zinc/13/59/85/556135985.db2.gz ZMWVWEAILKAIKB-UHFFFAOYSA-N 0 0 430.891 5.903 50 0 IKAARN CCCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc21 ZINC000002763967 556136023 /nfs/dbraw/zinc/13/60/23/556136023.db2.gz UFIMEIXDHFYILI-UHFFFAOYSA-N 0 0 425.370 6.102 50 0 IKAARN Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Cl)o3)cc2)n1 ZINC000002743949 556136336 /nfs/dbraw/zinc/13/63/36/556136336.db2.gz MUSLMTCNRLWWHI-UHFFFAOYSA-N 0 0 435.911 5.626 50 0 IKAARN CC(C)OC(=O)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)CCCC2 ZINC000002743306 556136340 /nfs/dbraw/zinc/13/63/40/556136340.db2.gz LXHBQUNDQUMPMG-UHFFFAOYSA-N 0 0 447.556 6.068 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1)CCCCCC2 ZINC000002745547 556136348 /nfs/dbraw/zinc/13/63/48/556136348.db2.gz QNGQSTZZBLGEMC-UHFFFAOYSA-N 0 0 438.549 5.800 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCCCOC(C)C)c3cc(Br)ccc3n2)cc1 ZINC000002744139 556136355 /nfs/dbraw/zinc/13/63/55/556136355.db2.gz KWQDGAQAQKVTFU-UHFFFAOYSA-N 0 0 441.369 5.518 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1sc2ccccc2c1Cl ZINC000002750022 556136910 /nfs/dbraw/zinc/13/69/10/556136910.db2.gz GSINWQLWWQRCGJ-UHFFFAOYSA-N 0 0 430.360 6.322 50 0 IKAARN CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](c2ccccc2)C3)c1 ZINC000002750865 556136918 /nfs/dbraw/zinc/13/69/18/556136918.db2.gz QRICZAUITXCRTI-QGZVFWFLSA-N 0 0 435.545 5.458 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(=O)OC)C1 ZINC000002754722 556137438 /nfs/dbraw/zinc/13/74/38/556137438.db2.gz VRACOSVIUYIYCK-HNNXBMFYSA-N 0 0 447.556 5.926 50 0 IKAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Br)cc32)cc1 ZINC000002758516 556137445 /nfs/dbraw/zinc/13/74/45/556137445.db2.gz KYCSLJHKMREYND-UHFFFAOYSA-N 0 0 445.360 6.211 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000002755957 556137532 /nfs/dbraw/zinc/13/75/32/556137532.db2.gz MRPGNAXTYPZOEL-UHFFFAOYSA-N 0 0 435.346 6.492 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000002758533 556137535 /nfs/dbraw/zinc/13/75/35/556137535.db2.gz RGSRZFKDRJWART-QGZVFWFLSA-N 0 0 428.963 7.629 50 0 IKAARN COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCCCCCCCCC2 ZINC000002759605 556137810 /nfs/dbraw/zinc/13/78/10/556137810.db2.gz JOAQVTWZCIBBJM-UHFFFAOYSA-N 0 0 441.637 6.716 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc(C)c1-c1ccc(F)cc1 ZINC000002760189 556137828 /nfs/dbraw/zinc/13/78/28/556137828.db2.gz SIYWJOLELMTPKI-UHFFFAOYSA-N 0 0 433.888 5.320 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000002784838 556138292 /nfs/dbraw/zinc/13/82/92/556138292.db2.gz LRWWRCUYZUFLRA-UHFFFAOYSA-N 0 0 428.326 6.055 50 0 IKAARN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000002782993 556138332 /nfs/dbraw/zinc/13/83/32/556138332.db2.gz KKCSJPRAGMVFQN-HNNXBMFYSA-N 0 0 438.336 5.317 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3nc(-c4ccccc4)cs3)ccc2c1 ZINC000002784375 556138339 /nfs/dbraw/zinc/13/83/39/556138339.db2.gz AMGGCKCDGWHPGS-INIZCTEOSA-N 0 0 446.528 5.257 50 0 IKAARN Cc1cc(C(F)(F)F)nn1Cc1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000002787562 556138813 /nfs/dbraw/zinc/13/88/13/556138813.db2.gz XIQNTRFFPNOFKZ-LBPRGKRZSA-N 0 0 448.518 5.062 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000002789181 556139097 /nfs/dbraw/zinc/13/90/97/556139097.db2.gz NWXDSZIIUDPEJJ-UHFFFAOYSA-N 0 0 440.370 5.782 50 0 IKAARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)c1sc2ccccc2c1Cl ZINC000002767960 556139888 /nfs/dbraw/zinc/13/98/88/556139888.db2.gz ONDBFWINFHJQRX-UHFFFAOYSA-N 0 0 448.350 6.461 50 0 IKAARN CCCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000002767875 556139941 /nfs/dbraw/zinc/13/99/41/556139941.db2.gz WEKSKKMXYKWKPO-UHFFFAOYSA-N 0 0 427.953 6.504 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1C ZINC000002768831 556139946 /nfs/dbraw/zinc/13/99/46/556139946.db2.gz FGAZQZPIGBPDBY-LJQANCHMSA-N 0 0 428.963 6.971 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)[C@H]3CCCO3)c3cc(Br)ccc3n2)cc1 ZINC000002770052 556140281 /nfs/dbraw/zinc/14/02/81/556140281.db2.gz GYQKMXIXNNUOHB-IVZQSRNASA-N 0 0 439.353 5.270 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1cc(C)oc1C ZINC000002769789 556140287 /nfs/dbraw/zinc/14/02/87/556140287.db2.gz DLHULFKLBPGOHL-UHFFFAOYSA-N 0 0 440.521 5.256 50 0 IKAARN COc1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)o1 ZINC000002790901 556140531 /nfs/dbraw/zinc/14/05/31/556140531.db2.gz WZTOOTDCODBQTR-AWEZNQCLSA-N 0 0 446.532 5.311 50 0 IKAARN O=C(Nc1ccccc1Sc1ccccc1)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002780725 556141589 /nfs/dbraw/zinc/14/15/89/556141589.db2.gz CMJJYBZYALRDPK-UHFFFAOYSA-N 0 0 436.487 5.948 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nccc(-c3ccc(Br)cc3)n2)cc1 ZINC000002805565 556143607 /nfs/dbraw/zinc/14/36/07/556143607.db2.gz DWFUUTFXWPOBCV-UHFFFAOYSA-N 0 0 444.354 5.036 50 0 IKAARN Cc1cccc(Cn2cc(NC(=O)c3ccn(COc4ccc(C(C)(C)C)cc4)n3)cn2)c1 ZINC000002805399 556143611 /nfs/dbraw/zinc/14/36/11/556143611.db2.gz YVFFFGQVXNWYJL-UHFFFAOYSA-N 0 0 443.551 5.023 50 0 IKAARN CCn1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc3n2)c1C ZINC000002805353 556143676 /nfs/dbraw/zinc/14/36/76/556143676.db2.gz SGTIFDGFGGURMC-UHFFFAOYSA-N 0 0 440.425 5.578 50 0 IKAARN Cc1ccc(Cl)c(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c1 ZINC000002791177 556143723 /nfs/dbraw/zinc/14/37/23/556143723.db2.gz FCWOXNYTVCHTLY-UHFFFAOYSA-N 0 0 436.924 5.629 50 0 IKAARN COc1ccccc1OCc1ccc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)o1 ZINC000002791475 556144006 /nfs/dbraw/zinc/14/40/06/556144006.db2.gz XAIRMRCBXSSQPQ-UHFFFAOYSA-N 0 0 446.431 5.331 50 0 IKAARN Cc1nn(C[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c(C)c1Br ZINC000002794224 556145010 /nfs/dbraw/zinc/14/50/10/556145010.db2.gz BBKDRULZOBRQMC-AWEZNQCLSA-N 0 0 444.398 5.688 50 0 IKAARN O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000002794351 556145246 /nfs/dbraw/zinc/14/52/46/556145246.db2.gz ZFRFPGLVXDBSCQ-UHFFFAOYSA-N 0 0 434.855 5.048 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000002796499 556145531 /nfs/dbraw/zinc/14/55/31/556145531.db2.gz PVHAVBMFPYVKMU-UHFFFAOYSA-N 0 0 434.721 5.205 50 0 IKAARN Cc1ccc2nc(NC(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)sc2c1 ZINC000002795531 556145661 /nfs/dbraw/zinc/14/56/61/556145661.db2.gz UIVYYGRUUVWDLT-UHFFFAOYSA-N 0 0 433.320 5.397 50 0 IKAARN Cc1ccc(F)c(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)c1 ZINC000002796410 556145678 /nfs/dbraw/zinc/14/56/78/556145678.db2.gz KNQZGXMEEJWYOB-UHFFFAOYSA-N 0 0 438.684 5.035 50 0 IKAARN O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(COc2ccccc2Cl)o1 ZINC000002796529 556145801 /nfs/dbraw/zinc/14/58/01/556145801.db2.gz UDGFAYLNNDCWMV-UHFFFAOYSA-N 0 0 425.847 5.148 50 0 IKAARN COc1ccc(NC(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)cc1OC ZINC000002856733 556148135 /nfs/dbraw/zinc/14/81/35/556148135.db2.gz NWQSKPJUINYKQL-UHFFFAOYSA-N 0 0 439.274 5.039 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000002938623 556150427 /nfs/dbraw/zinc/15/04/27/556150427.db2.gz OPDYRACFRJQHCK-JWGURIENSA-N 0 0 443.499 5.114 50 0 IKAARN Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 ZINC000002925311 556150709 /nfs/dbraw/zinc/15/07/09/556150709.db2.gz AQGHFVZQWMLHJN-UHFFFAOYSA-N 0 0 436.558 5.144 50 0 IKAARN Cc1cccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1C ZINC000002956235 556150947 /nfs/dbraw/zinc/15/09/47/556150947.db2.gz JJCFHLGQFHNYBC-UHFFFAOYSA-N 0 0 427.323 6.039 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000002957173 556151021 /nfs/dbraw/zinc/15/10/21/556151021.db2.gz MAWJRPGGBLGIJQ-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN CCc1sc(-c2cc3ccc(OC(C)=O)cc3oc2=O)nc1-c1ccc(Cl)cc1 ZINC000002964212 556151252 /nfs/dbraw/zinc/15/12/52/556151252.db2.gz JBFHXTOSDYBZKJ-UHFFFAOYSA-N 0 0 425.893 5.725 50 0 IKAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)cc1Cl ZINC000002951403 556151523 /nfs/dbraw/zinc/15/15/23/556151523.db2.gz NNHJDEPBUUMSFT-GFMRDNFCSA-N 0 0 441.896 5.045 50 0 IKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000002972810 556152450 /nfs/dbraw/zinc/15/24/50/556152450.db2.gz KJLPQHJIFQCGIR-FMIVXFBMSA-N 0 0 449.304 5.918 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)c1 ZINC000002985937 556152459 /nfs/dbraw/zinc/15/24/59/556152459.db2.gz QCKNCDCGPVIKTD-UHFFFAOYSA-N 0 0 447.585 5.797 50 0 IKAARN Cc1cccc(CSCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000002975818 556153569 /nfs/dbraw/zinc/15/35/69/556153569.db2.gz IZQPYPZJYGAJKP-UHFFFAOYSA-N 0 0 442.049 6.604 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3)nc2c1 ZINC000002982197 556153828 /nfs/dbraw/zinc/15/38/28/556153828.db2.gz LAAIISSBUOIXDY-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3)oc2cc1C ZINC000002982649 556153849 /nfs/dbraw/zinc/15/38/49/556153849.db2.gz CXYCPBXGDIETFE-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c(Cl)c1 ZINC000002980512 556153878 /nfs/dbraw/zinc/15/38/78/556153878.db2.gz GXOMINHXPWIARA-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(Br)c1 ZINC000002979747 556153921 /nfs/dbraw/zinc/15/39/21/556153921.db2.gz QADCDPUSIBAXRD-UHFFFAOYSA-N 0 0 438.561 5.536 50 0 IKAARN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)cc1 ZINC000002965472 556154163 /nfs/dbraw/zinc/15/41/63/556154163.db2.gz CNMGDSWVQLEDHD-SFTDATJTSA-N 0 0 448.592 5.014 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000002983896 556154206 /nfs/dbraw/zinc/15/42/06/556154206.db2.gz OUCHIOCUTCUFKA-UHFFFAOYSA-N 0 0 447.585 5.797 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000002985206 556154247 /nfs/dbraw/zinc/15/42/47/556154247.db2.gz AXVMFYVOVWGZRU-UHFFFAOYSA-N 0 0 445.544 5.637 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000002983049 556154270 /nfs/dbraw/zinc/15/42/70/556154270.db2.gz CHUDKMSDGTUXIZ-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CSC3)c1C ZINC000003008312 556154614 /nfs/dbraw/zinc/15/46/14/556154614.db2.gz VHMZWYZDOVUXFO-UHFFFAOYSA-N 0 0 428.355 5.251 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000002998528 556156131 /nfs/dbraw/zinc/15/61/31/556156131.db2.gz QISXKOUFQPGPRN-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)Nc1ccccc1)CC2 ZINC000003006488 556156745 /nfs/dbraw/zinc/15/67/45/556156745.db2.gz OMIWZGJPAUOWEC-XMMPIXPASA-N 0 0 446.547 5.531 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003008166 556157054 /nfs/dbraw/zinc/15/70/54/556157054.db2.gz RPRWBBZQBFJVEX-UHFFFAOYSA-N 0 0 441.959 5.862 50 0 IKAARN COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 ZINC000008382979 556158823 /nfs/dbraw/zinc/15/88/23/556158823.db2.gz AFRWOSWUNHFAGE-BVAGGSTKSA-N 0 0 428.557 5.338 50 0 IKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000008383291 556158829 /nfs/dbraw/zinc/15/88/29/556158829.db2.gz DJCZZPVMTXKAQW-UHFFFAOYSA-N 0 0 431.491 6.403 50 0 IKAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000008383267 556158890 /nfs/dbraw/zinc/15/88/90/556158890.db2.gz GWQANDHBBDBMJY-RRDXFFBTSA-N 0 0 433.507 5.012 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(CC)cc32)cc1 ZINC000008383361 556158905 /nfs/dbraw/zinc/15/89/05/556158905.db2.gz FOFQJNPNXIJKPO-UHFFFAOYSA-N 0 0 430.935 6.769 50 0 IKAARN COc1cccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 ZINC000008383499 556159118 /nfs/dbraw/zinc/15/91/18/556159118.db2.gz OBZDAXAPMODVQQ-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383493 556159133 /nfs/dbraw/zinc/15/91/33/556159133.db2.gz PETBJVNWTWIFMM-SFHVURJKSA-N 0 0 443.930 6.600 50 0 IKAARN CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cc(OC)ccc3OC)c2c1 ZINC000008383383 556159148 /nfs/dbraw/zinc/15/91/48/556159148.db2.gz LZNPEQVDXLWDLV-UHFFFAOYSA-N 0 0 446.934 6.387 50 0 IKAARN CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)Nc3cccc4ccccc43)c2c1 ZINC000008383379 556159183 /nfs/dbraw/zinc/15/91/83/556159183.db2.gz WQQGLGINHWPWFR-UHFFFAOYSA-N 0 0 432.523 6.878 50 0 IKAARN O=C(OCC(=O)c1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000008383459 556159187 /nfs/dbraw/zinc/15/91/87/556159187.db2.gz DPZXFZRXMRLGPK-UHFFFAOYSA-N 0 0 435.284 5.314 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383488 556159208 /nfs/dbraw/zinc/15/92/08/556159208.db2.gz PIRNMBLEWKNOBW-UHFFFAOYSA-N 0 0 443.930 6.520 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c(OC)c1 ZINC000008384113 556159986 /nfs/dbraw/zinc/15/99/86/556159986.db2.gz GOPKLWVXNUSALY-UHFFFAOYSA-N 0 0 438.936 6.195 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 ZINC000008384540 556160292 /nfs/dbraw/zinc/16/02/92/556160292.db2.gz AOUHKBBOYPXIDG-CQSZACIVSA-N 0 0 439.342 7.567 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 ZINC000008384567 556160319 /nfs/dbraw/zinc/16/03/19/556160319.db2.gz OWMPSDYRTGROHL-UHFFFAOYSA-N 0 0 442.902 6.871 50 0 IKAARN O=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Cl)cc1Cl ZINC000008384780 556160604 /nfs/dbraw/zinc/16/06/04/556160604.db2.gz VQCSMWDOELYAGY-UHFFFAOYSA-N 0 0 437.282 5.426 50 0 IKAARN COc1cccc([C@H]2CN(c3cccc(Br)c3)N=C2c2cccs2)c1OC ZINC000008385158 556161157 /nfs/dbraw/zinc/16/11/57/556161157.db2.gz MYHDHOLABGMPKS-QGZVFWFLSA-N 0 0 443.366 5.536 50 0 IKAARN COc1cccc([C@@H]2CN(c3cccc(Br)c3)N=C2c2cccs2)c1OC ZINC000008385156 556161237 /nfs/dbraw/zinc/16/12/37/556161237.db2.gz MYHDHOLABGMPKS-KRWDZBQOSA-N 0 0 443.366 5.536 50 0 IKAARN O=C1[C@@H](Oc2ccccc2)[C@@]2(c3ccccc3)C[C@H](c3ccccc3)Sc3ccccc3N12 ZINC000008385782 556161518 /nfs/dbraw/zinc/16/15/18/556161518.db2.gz QRYJUSMKRBSNCZ-QQJNOOCOSA-N 0 0 449.575 6.613 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008386282 556161880 /nfs/dbraw/zinc/16/18/80/556161880.db2.gz JSRYCETUVLGSQH-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2Br)cc1 ZINC000008386759 556162105 /nfs/dbraw/zinc/16/21/05/556162105.db2.gz SUJATHMRCGUZGF-QFIPXVFZSA-N 0 0 441.756 6.467 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 ZINC000008386918 556162448 /nfs/dbraw/zinc/16/24/48/556162448.db2.gz ZMFMSSOCPUKIBM-UHFFFAOYSA-N 0 0 427.554 6.526 50 0 IKAARN CC1(C)[C@H](C(=O)N[C@H](c2ccc(F)cc2)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000003037110 556162748 /nfs/dbraw/zinc/16/27/48/556162748.db2.gz LNTSHRPDUYJBSW-KGYLQXTDSA-N 0 0 433.565 5.944 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000008396117 556163233 /nfs/dbraw/zinc/16/32/33/556163233.db2.gz STORORKACXTVDI-UHFFFAOYSA-N 0 0 440.469 5.114 50 0 IKAARN CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000008396134 556163305 /nfs/dbraw/zinc/16/33/05/556163305.db2.gz SNVRIQGSMBZEIL-OVCLIPMQSA-N 0 0 426.719 5.807 50 0 IKAARN CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000008396763 556163928 /nfs/dbraw/zinc/16/39/28/556163928.db2.gz MHRVPZQVTQYIOU-UHFFFAOYSA-N 0 0 436.665 7.875 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000008396772 556163966 /nfs/dbraw/zinc/16/39/66/556163966.db2.gz NQBQAPXHPBLQCO-UHFFFAOYSA-N 0 0 430.891 5.903 50 0 IKAARN c1ccc(COc2ccc([C@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)cc2)cc1 ZINC000008397606 556164190 /nfs/dbraw/zinc/16/41/90/556164190.db2.gz VDUBVYWQKRFDKU-LMSSTIIKSA-N 0 0 432.523 6.508 50 0 IKAARN CCN(CC)c1ccc(C(c2c3ccccc3n(C)c2C)c2c3ccccc3n(C)c2C)cc1 ZINC000008397968 556164582 /nfs/dbraw/zinc/16/45/82/556164582.db2.gz NTZXWBHCXSYSNG-UHFFFAOYSA-N 0 0 449.642 7.313 50 0 IKAARN C1=C(c2ccc(-c3ccccc3)cc2)N2C(=NN=C(c3ccccc3)[C@H]2c2ccccc2)S1 ZINC000008398241 556164794 /nfs/dbraw/zinc/16/47/94/556164794.db2.gz GSPXACBGIFHMGG-MUUNZHRXSA-N 0 0 443.575 7.216 50 0 IKAARN CCc1ccc2c(c1)C(c1c(C)n(C)c3ccccc31)(c1c(C)n(C)c3ccccc31)C(=O)N2 ZINC000008398586 556165153 /nfs/dbraw/zinc/16/51/53/556165153.db2.gz XJHPZTVSIPXJJF-UHFFFAOYSA-N 0 0 447.582 6.136 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3cc(OC(=S)N4CCC(C)CC4)ccc3c2)cc1C ZINC000008398925 556165161 /nfs/dbraw/zinc/16/51/61/556165161.db2.gz SRFTXLLUBXSVMS-UHFFFAOYSA-N 0 0 432.589 6.105 50 0 IKAARN Cn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2cc(Br)ccc21 ZINC000008400378 556165869 /nfs/dbraw/zinc/16/58/69/556165869.db2.gz XBENPJPYLOAJFJ-RCCKNPSSSA-N 0 0 433.305 5.691 50 0 IKAARN Cc1c(C(=O)c2ccccc2)c2cc(OC(=O)c3ccccc3)ccc2n1-c1ccccc1C ZINC000008400135 556165927 /nfs/dbraw/zinc/16/59/27/556165927.db2.gz BEGLVTGAVFUSEB-UHFFFAOYSA-N 0 0 445.518 6.698 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccccc4)[C@H]2C3(Cl)Cl)cc1OC ZINC000008400157 556165965 /nfs/dbraw/zinc/16/59/65/556165965.db2.gz OJWHSJIOGRNFJA-ZLNRFVROSA-N 0 0 427.327 5.927 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008405267 556166709 /nfs/dbraw/zinc/16/67/09/556166709.db2.gz FKEXIJSVODULPF-DEOSSOPVSA-N 0 0 429.976 7.128 50 0 IKAARN c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1 ZINC000008408143 556166720 /nfs/dbraw/zinc/16/67/20/556166720.db2.gz FRQYODNGSAORLP-UHFFFAOYSA-N 0 0 448.569 8.745 50 0 IKAARN Cc1ccc(NC2=C[C@@H](c3cccc(Br)c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008424602 556167932 /nfs/dbraw/zinc/16/79/32/556167932.db2.gz ATYXXWBVRBLZJY-QHCPKHFHSA-N 0 0 433.349 6.150 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000008425569 556168272 /nfs/dbraw/zinc/16/82/72/556168272.db2.gz JBVZSLJINXONPT-BKUYFWCQSA-N 0 0 433.891 5.581 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000008424887 556168325 /nfs/dbraw/zinc/16/83/25/556168325.db2.gz ADRHDECJZLDSNU-STZFKDTASA-N 0 0 433.385 6.463 50 0 IKAARN COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCc1ccccc1 ZINC000008425566 556168346 /nfs/dbraw/zinc/16/83/46/556168346.db2.gz SLMZIICCWYQQFZ-KQWNVCNZSA-N 0 0 441.527 5.916 50 0 IKAARN Cc1cc2c(nc3s/c(=C\c4cccc(OCc5ccc(Cl)cc5)c4)c(=O)n23)c(C)c1 ZINC000008425987 556168544 /nfs/dbraw/zinc/16/85/44/556168544.db2.gz DDWZAYUUGHAKEO-XKZIYDEJSA-N 0 0 446.959 5.306 50 0 IKAARN Nc1c(-c2nnc(-c3ccccc3)o2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000008426035 556168557 /nfs/dbraw/zinc/16/85/57/556168557.db2.gz ULCMRDHJVWSGBV-UHFFFAOYSA-N 0 0 446.535 6.930 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccc(Br)cc1)O2 ZINC000008426567 556168883 /nfs/dbraw/zinc/16/88/83/556168883.db2.gz ZNTXVVJENFSVJT-FXAWDEMLSA-N 0 0 445.769 6.406 50 0 IKAARN O=C(c1ccccc1)[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000008426594 556169038 /nfs/dbraw/zinc/16/90/38/556169038.db2.gz OMKBOWOWNSAJIP-NFBKMPQASA-N 0 0 433.305 5.202 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000008426712 556169052 /nfs/dbraw/zinc/16/90/52/556169052.db2.gz MNTOXBCAZXVFPE-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN O=C(c1ccccc1)[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008426593 556169120 /nfs/dbraw/zinc/16/91/20/556169120.db2.gz OMKBOWOWNSAJIP-NZQKXSOJSA-N 0 0 433.305 5.202 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000008427358 556169623 /nfs/dbraw/zinc/16/96/23/556169623.db2.gz LBKVJTXFBAFUBG-QFIPXVFZSA-N 0 0 441.756 6.467 50 0 IKAARN FC(F)(F)c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2Cl)c1 ZINC000008427277 556169707 /nfs/dbraw/zinc/16/97/07/556169707.db2.gz RQUKCQIIDVSERG-NRFANRHFSA-N 0 0 435.276 7.368 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000008430691 556170459 /nfs/dbraw/zinc/17/04/59/556170459.db2.gz BAZRRFRPCSIXJT-UHFFFAOYSA-N 0 0 428.337 5.128 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCCC2 ZINC000008431050 556170845 /nfs/dbraw/zinc/17/08/45/556170845.db2.gz FVNUPGYGBNQMMD-UHFFFAOYSA-N 0 0 426.332 5.190 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3F)C(=O)O2)cc1 ZINC000008431604 556171049 /nfs/dbraw/zinc/17/10/49/556171049.db2.gz BRKIGTJMTYKDEX-KQWNVCNZSA-N 0 0 429.491 6.047 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000008431666 556171428 /nfs/dbraw/zinc/17/14/28/556171428.db2.gz WBKNHCQLPMRUBW-LTXCWQKFSA-N 0 0 426.947 6.777 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000008431671 556171431 /nfs/dbraw/zinc/17/14/31/556171431.db2.gz WBKNHCQLPMRUBW-XQEAGORVSA-N 0 0 426.947 6.777 50 0 IKAARN CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000008433112 556172366 /nfs/dbraw/zinc/17/23/66/556172366.db2.gz AMLYYMWFIXAKAR-UHFFFAOYSA-N 0 0 434.989 5.224 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000008433012 556172419 /nfs/dbraw/zinc/17/24/19/556172419.db2.gz TZPVRKXDBJZLAY-UHFFFAOYSA-N 0 0 449.645 5.844 50 0 IKAARN COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3S2)cc(OC)c1OC ZINC000008433105 556172452 /nfs/dbraw/zinc/17/24/52/556172452.db2.gz ZVCBIQZAKQKLJG-QHCPKHFHSA-N 0 0 439.964 6.724 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008434762 556172749 /nfs/dbraw/zinc/17/27/49/556172749.db2.gz HPBISDCXBFBERC-JLPGSUDCSA-N 0 0 439.898 6.417 50 0 IKAARN O=C1[C@H](C(OCc2ccccc2)=C(F)F)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000008436877 556173604 /nfs/dbraw/zinc/17/36/04/556173604.db2.gz IDIIHBWOYSCLKB-LEWJYISDSA-N 0 0 425.862 6.369 50 0 IKAARN CC1=CC(C)(C)Oc2c1c(=O)n(-c1cccc(Cl)c1)c(=S)n2-c1cccc(Cl)c1 ZINC000008437554 556173998 /nfs/dbraw/zinc/17/39/98/556173998.db2.gz AYBZSUKQMZVNAX-UHFFFAOYSA-N 0 0 445.371 6.239 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 ZINC000008438991 556174891 /nfs/dbraw/zinc/17/48/91/556174891.db2.gz NURWEEMTLJFITE-INIZCTEOSA-N 0 0 435.545 5.910 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000008439052 556174915 /nfs/dbraw/zinc/17/49/15/556174915.db2.gz LIFFFDPJIHODKV-UHFFFAOYSA-N 0 0 439.577 5.957 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000008438949 556174941 /nfs/dbraw/zinc/17/49/41/556174941.db2.gz RBEMTVLQFMOKBA-GOSISDBHSA-N 0 0 447.600 6.846 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000008439097 556175163 /nfs/dbraw/zinc/17/51/63/556175163.db2.gz YTHHSQDLWZNAEW-UHFFFAOYSA-N 0 0 439.577 5.759 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1 ZINC000008439146 556175168 /nfs/dbraw/zinc/17/51/68/556175168.db2.gz CBICWRWLDBJFHZ-CIAFOILYSA-N 0 0 433.533 5.206 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3c2C1 ZINC000008439102 556175231 /nfs/dbraw/zinc/17/52/31/556175231.db2.gz WXVGXEZBJLOXRD-IBGZPJMESA-N 0 0 439.621 6.700 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000008439263 556175462 /nfs/dbraw/zinc/17/54/62/556175462.db2.gz JYKVLRTUCURNDS-UHFFFAOYSA-N 0 0 435.929 5.542 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000008440001 556176079 /nfs/dbraw/zinc/17/60/79/556176079.db2.gz HGULZIZJVDBRTI-DGCLKSJQSA-N 0 0 432.373 5.499 50 0 IKAARN Cc1ccc(CSc2nnc(NC(=O)COc3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000008440059 556176181 /nfs/dbraw/zinc/17/61/81/556176181.db2.gz AAUDKQSENMANJR-UHFFFAOYSA-N 0 0 427.595 5.454 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1nnc(SCc2cccc3ccccc32)s1 ZINC000008439992 556176187 /nfs/dbraw/zinc/17/61/87/556176187.db2.gz HQKPGALBTQMNRU-UHFFFAOYSA-N 0 0 441.581 6.318 50 0 IKAARN COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc(OC)c1OC ZINC000008440364 556176440 /nfs/dbraw/zinc/17/64/40/556176440.db2.gz XJQSDLBHBQYMFA-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000008441562 556176756 /nfs/dbraw/zinc/17/67/56/556176756.db2.gz QGORPPLRKSEACI-RBBKRZOGSA-N 0 0 447.724 7.028 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000008441565 556176858 /nfs/dbraw/zinc/17/68/58/556176858.db2.gz GEUGYXBZEIABAQ-RBBKRZOGSA-N 0 0 441.275 5.970 50 0 IKAARN c1sc(Cc2ccccc2)nc1-c1ccc(Nc2nc(-c3ccccc3)cs2)cc1 ZINC000008441999 556177176 /nfs/dbraw/zinc/17/71/76/556177176.db2.gz BBSDFBZZVLTMAO-UHFFFAOYSA-N 0 0 425.582 7.268 50 0 IKAARN O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccc(F)cc1 ZINC000008442758 556177728 /nfs/dbraw/zinc/17/77/28/556177728.db2.gz KPWSPYNABSJAMO-UHFFFAOYSA-N 0 0 439.434 5.083 50 0 IKAARN Cc1ccc(CNC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000008442724 556177737 /nfs/dbraw/zinc/17/77/37/556177737.db2.gz LFNLNUJLVKIPNL-UHFFFAOYSA-N 0 0 435.471 5.253 50 0 IKAARN O=C(Nc1ccc2[nH]c(-c3cccc(NC(=O)C4CCCCC4)c3)nc2c1)C1CCCCC1 ZINC000008443737 556178365 /nfs/dbraw/zinc/17/83/65/556178365.db2.gz DGDUIMJOMRNNFQ-UHFFFAOYSA-N 0 0 444.579 6.268 50 0 IKAARN c1csc(C2=NN(c3nc(-c4ccc5ccccc5c4)cs3)[C@@H](c3ccoc3)C2)c1 ZINC000008443511 556178389 /nfs/dbraw/zinc/17/83/89/556178389.db2.gz XSNWULPHIZDYFM-JOCHJYFZSA-N 0 0 427.554 6.974 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(=O)OC)C1 ZINC000008444185 556178721 /nfs/dbraw/zinc/17/87/21/556178721.db2.gz PIPQTRVWCWFLRU-BSRLHWHNSA-N 0 0 443.653 6.231 50 0 IKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1ccc(OC(C)C)c(OCC)c1 ZINC000008444626 556178993 /nfs/dbraw/zinc/17/89/93/556178993.db2.gz UERZQOGAJVMRLP-UHFFFAOYSA-N 0 0 427.522 5.516 50 0 IKAARN Cc1ccccc1C(=O)O[C@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1 ZINC000008444477 556179001 /nfs/dbraw/zinc/17/90/01/556179001.db2.gz BLEXJRRHKCGDJC-DEOSSOPVSA-N 0 0 435.863 5.390 50 0 IKAARN COc1cc(Cl)cc(Cl)c1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008444299 556179014 /nfs/dbraw/zinc/17/90/14/556179014.db2.gz NMMVKCAXDYRXFC-CVDCTZTESA-N 0 0 425.315 6.244 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@H]12 ZINC000008444540 556179017 /nfs/dbraw/zinc/17/90/17/556179017.db2.gz PXTKIPXFRAYYAB-MDYRTPRTSA-N 0 0 442.485 5.456 50 0 IKAARN C[C@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@@H]21 ZINC000008444544 556179036 /nfs/dbraw/zinc/17/90/36/556179036.db2.gz PXTKIPXFRAYYAB-XAUMDUMWSA-N 0 0 442.485 5.456 50 0 IKAARN COc1cc(Cl)cc(Cl)c1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008444296 556179060 /nfs/dbraw/zinc/17/90/60/556179060.db2.gz NMMVKCAXDYRXFC-WMZHIEFXSA-N 0 0 425.315 6.244 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000008445201 556179266 /nfs/dbraw/zinc/17/92/66/556179266.db2.gz SCVPYUYAHAGMFA-UHFFFAOYSA-N 0 0 444.966 5.558 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1ccc(Br)s1)c1c(C)[nH]c2ccccc21 ZINC000008445550 556179861 /nfs/dbraw/zinc/17/98/61/556179861.db2.gz GRPLHORQUFTTPF-UHFFFAOYSA-N 0 0 435.390 7.270 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCCc1ccccc1)CC[C@H](C)C2 ZINC000008445621 556179906 /nfs/dbraw/zinc/17/99/06/556179906.db2.gz UKPIOCXDFHNXNH-KRWDZBQOSA-N 0 0 432.589 5.406 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CCCC2 ZINC000008445628 556179921 /nfs/dbraw/zinc/17/99/21/556179921.db2.gz RQOLPWNMKQZUTR-UHFFFAOYSA-N 0 0 440.568 6.593 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1cccnc1 ZINC000008445906 556180157 /nfs/dbraw/zinc/18/01/57/556180157.db2.gz LIQCVOZHOYOXPJ-UHFFFAOYSA-N 0 0 441.350 5.268 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1ccccc1 ZINC000008445903 556180164 /nfs/dbraw/zinc/18/01/64/556180164.db2.gz YVFINWWTYZFDPO-UHFFFAOYSA-N 0 0 440.362 5.873 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000008445702 556180168 /nfs/dbraw/zinc/18/01/68/556180168.db2.gz ZYKXHJIDQFRYKM-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccccc21 ZINC000008445942 556180179 /nfs/dbraw/zinc/18/01/79/556180179.db2.gz BSDXHCZYSGTJLE-UHFFFAOYSA-N 0 0 435.936 5.690 50 0 IKAARN O=c1oc2ccc(Cl)cc2c(-c2cnc3c(c2)COc2ccccc2-3)c1-c1ccccc1 ZINC000008448340 556180454 /nfs/dbraw/zinc/18/04/54/556180454.db2.gz CYFZKBIJAABNLU-UHFFFAOYSA-N 0 0 437.882 6.735 50 0 IKAARN COc1cc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc(OC)c1OC ZINC000008448803 556180747 /nfs/dbraw/zinc/18/07/47/556180747.db2.gz JBEDPIDUKHZCCG-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)oc2c(C)c1 ZINC000008448751 556180761 /nfs/dbraw/zinc/18/07/61/556180761.db2.gz VQBDRZPJWVCJKE-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN COc1ccc(OCc2ccc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)cc2)cc1 ZINC000008449866 556180957 /nfs/dbraw/zinc/18/09/57/556180957.db2.gz XKJUCIWKPFDNKZ-UHFFFAOYSA-N 0 0 443.455 5.339 50 0 IKAARN Cc1ccc(-n2cnc3c(sc4nc(-c5cccs5)cc(C(F)(F)F)c43)c2=O)cc1 ZINC000008450764 556181623 /nfs/dbraw/zinc/18/16/23/556181623.db2.gz SDHCDMHMCRJBQC-UHFFFAOYSA-N 0 0 443.475 6.051 50 0 IKAARN Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@@H]3c3cccs3)sc2n1 ZINC000008450709 556181690 /nfs/dbraw/zinc/18/16/90/556181690.db2.gz IUWJTIWQRZCDKZ-CQSZACIVSA-N 0 0 438.603 5.610 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)NC45CC6CC(CC(C6)C4)C5)sc3n2)cc1 ZINC000008451049 556181825 /nfs/dbraw/zinc/18/18/25/556181825.db2.gz SHDXMOPAJQGQNF-UHFFFAOYSA-N 0 0 433.577 5.253 50 0 IKAARN CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 ZINC000008451291 556181840 /nfs/dbraw/zinc/18/18/40/556181840.db2.gz ZNMDOFGBBDMYBQ-LICLKQGHSA-N 0 0 449.395 5.585 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)s2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008450992 556181882 /nfs/dbraw/zinc/18/18/82/556181882.db2.gz NOGZYVQGEQLCJI-UHFFFAOYSA-N 0 0 444.912 6.572 50 0 IKAARN COc1ccc(-c2c3c(N)c(C(=O)c4ccc(C)cc4)sc3nc3c2CCCC3)cc1 ZINC000008451201 556181926 /nfs/dbraw/zinc/18/19/26/556181926.db2.gz BXQIXRUCMYMKLZ-UHFFFAOYSA-N 0 0 428.557 5.972 50 0 IKAARN N=C1S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1c1ccccc1C(F)(F)F ZINC000008451719 556182206 /nfs/dbraw/zinc/18/22/06/556182206.db2.gz FYZWIJIMUIVUQW-OVWOPLSRSA-N 0 0 432.398 6.160 50 0 IKAARN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000008451341 556182222 /nfs/dbraw/zinc/18/22/22/556182222.db2.gz LTZJRFUZALMWKK-HYZSBJHASA-N 0 0 429.339 5.420 50 0 IKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1 ZINC000008451428 556182265 /nfs/dbraw/zinc/18/22/65/556182265.db2.gz YBSMFSGQGIUPNU-XFDIAKHOSA-N 0 0 431.532 5.129 50 0 IKAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc2ccccc21 ZINC000008452278 556182831 /nfs/dbraw/zinc/18/28/31/556182831.db2.gz XWXKSINTUGKDJO-GFCCVEGCSA-N 0 0 449.142 5.771 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008452536 556183098 /nfs/dbraw/zinc/18/30/98/556183098.db2.gz SZEJXKFOZCECRP-GOSISDBHSA-N 0 0 434.967 6.533 50 0 IKAARN CC(C)(C)c1ccc(OCc2nn3c(nnc3-c3ccccc3Br)s2)cc1 ZINC000008453201 556183718 /nfs/dbraw/zinc/18/37/18/556183718.db2.gz PYZZVHWPQPEKDG-UHFFFAOYSA-N 0 0 443.370 5.492 50 0 IKAARN CC(=O)Oc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4Cl)c3n2)cc1 ZINC000008453074 556183830 /nfs/dbraw/zinc/18/38/30/556183830.db2.gz AFXHSYZVRFIQJL-UKTHLTGXSA-N 0 0 429.903 6.563 50 0 IKAARN CCN(CC)c1ncc2c(nc(SCc3ccc(F)cc3)nc2NCc2ccccc2)n1 ZINC000008453273 556184033 /nfs/dbraw/zinc/18/40/33/556184033.db2.gz PYJSLDPSCOAVPK-UHFFFAOYSA-N 0 0 448.571 5.310 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000008453257 556184058 /nfs/dbraw/zinc/18/40/58/556184058.db2.gz VPEICTQDOUWGTK-FYYLOGMGSA-N 0 0 436.342 6.549 50 0 IKAARN Brc1ccccc1-c1nnc2sc(C(c3ccccc3)c3ccccc3)nn21 ZINC000008453214 556184066 /nfs/dbraw/zinc/18/40/66/556184066.db2.gz WAGKWICZWWCEBA-UHFFFAOYSA-N 0 0 447.361 5.796 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(Br)ccc1Br ZINC000008453340 556184085 /nfs/dbraw/zinc/18/40/85/556184085.db2.gz FIXWTCRILVNUOQ-UHFFFAOYSA-N 0 0 432.111 6.098 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000008453351 556184127 /nfs/dbraw/zinc/18/41/27/556184127.db2.gz KCNXSBPJRGDCKQ-LBPRGKRZSA-N 0 0 441.163 5.741 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000008453358 556184361 /nfs/dbraw/zinc/18/43/61/556184361.db2.gz MOADAZDBPRCZQF-QWHCGFSZSA-N 0 0 435.200 5.312 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000008453354 556184426 /nfs/dbraw/zinc/18/44/26/556184426.db2.gz NQTCSHCOVVSFKG-GFCCVEGCSA-N 0 0 441.163 5.488 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000008453792 556184721 /nfs/dbraw/zinc/18/47/21/556184721.db2.gz VKPWWTWMAVNDQQ-LLJLDELUSA-N 0 0 443.628 6.317 50 0 IKAARN CCOC(=O)c1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc(C)c1-c1ccccc1 ZINC000008454418 556185035 /nfs/dbraw/zinc/18/50/35/556185035.db2.gz JDRYTHMAHMFNIP-UHFFFAOYSA-N 0 0 437.605 6.445 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@H]2[C@@H]1c1cccs1 ZINC000008455581 556185594 /nfs/dbraw/zinc/18/55/94/556185594.db2.gz VEDPLASXZAZMKR-WTQZJADQSA-N 0 0 439.631 6.257 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@@H]2[C@@H]1c1cccs1 ZINC000008455583 556185613 /nfs/dbraw/zinc/18/56/13/556185613.db2.gz VEDPLASXZAZMKR-NHTYEUNYSA-N 0 0 439.631 6.257 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@H]2[C@H]1c1cccs1 ZINC000008455580 556185623 /nfs/dbraw/zinc/18/56/23/556185623.db2.gz VEDPLASXZAZMKR-GPMDQVFXSA-N 0 0 439.631 6.257 50 0 IKAARN COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000008455765 556185930 /nfs/dbraw/zinc/18/59/30/556185930.db2.gz CDNLEYLXQKABOY-HXUWFJFHSA-N 0 0 433.573 5.769 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000008497915 556186857 /nfs/dbraw/zinc/18/68/57/556186857.db2.gz XGKPLMKCZZGUPV-QDBPJBAASA-N 0 0 435.910 5.587 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000008497897 556186880 /nfs/dbraw/zinc/18/68/80/556186880.db2.gz XGKPLMKCZZGUPV-GMMLXXJASA-N 0 0 435.910 5.587 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000008497904 556186893 /nfs/dbraw/zinc/18/68/93/556186893.db2.gz XGKPLMKCZZGUPV-IOXNAGQWSA-N 0 0 435.910 5.587 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc3ccccc31)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000008497890 556186896 /nfs/dbraw/zinc/18/68/96/556186896.db2.gz NEWZKXFPWSBRPF-MSVKLTOBSA-N 0 0 435.910 5.587 50 0 IKAARN CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2cccc(OC)c2)cc1OCC ZINC000008497548 556186924 /nfs/dbraw/zinc/18/69/24/556186924.db2.gz PVRLQVYYKWLJLN-DEOSSOPVSA-N 0 0 433.548 5.597 50 0 IKAARN CC(C)(COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000003064709 556187147 /nfs/dbraw/zinc/18/71/47/556187147.db2.gz YUQJFOZSJKAAHB-GOSISDBHSA-N 0 0 439.364 5.595 50 0 IKAARN Cc1cccc(NC2=C[C@H](c3cccc(Br)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000008590139 556188565 /nfs/dbraw/zinc/18/85/65/556188565.db2.gz NAAOUOCATOCIFX-HSZRJFAPSA-N 0 0 433.349 6.150 50 0 aggregator IKAARN CCOc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000008590605 556188637 /nfs/dbraw/zinc/18/86/37/556188637.db2.gz OTJMQDVFZNAPFG-UHFFFAOYSA-N 0 0 433.508 5.447 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)no2)c1 ZINC000008592825 556189236 /nfs/dbraw/zinc/18/92/36/556189236.db2.gz QTUFACPBCVIMFC-UHFFFAOYSA-N 0 0 443.290 5.154 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)nn1Cc1ccc(Cl)cc1 ZINC000008592777 556189261 /nfs/dbraw/zinc/18/92/61/556189261.db2.gz NFNXQMFBYJUEKM-UHFFFAOYSA-N 0 0 427.291 5.454 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000008594858 556189926 /nfs/dbraw/zinc/18/99/26/556189926.db2.gz GJFYCRUQEPPMJY-SANMLTNESA-N 0 0 446.547 5.429 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)c(C)c3)C2=O)cc1 ZINC000008594767 556189933 /nfs/dbraw/zinc/18/99/33/556189933.db2.gz WMLDCZIWAFGFAH-SANMLTNESA-N 0 0 428.557 5.091 50 0 aggregator IKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)c1 ZINC000008603034 556191017 /nfs/dbraw/zinc/19/10/17/556191017.db2.gz PSPUNKBNAUUIAE-UHFFFAOYSA-N 0 0 430.935 6.415 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc3S2)cc1 ZINC000008604530 556191347 /nfs/dbraw/zinc/19/13/47/556191347.db2.gz HOPUJXDOQJJSIA-XMMPIXPASA-N 0 0 446.572 5.521 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)c3c2N)cc1 ZINC000008606307 556191662 /nfs/dbraw/zinc/19/16/62/556191662.db2.gz HEUZHCGCATZNCT-UHFFFAOYSA-N 0 0 442.462 6.112 50 0 IKAARN O=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccc2c(c1)CCO2 ZINC000008618308 556193239 /nfs/dbraw/zinc/19/32/39/556193239.db2.gz DAROTIVKJRZYJL-UHFFFAOYSA-N 0 0 430.356 6.010 50 0 IKAARN COc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1OC ZINC000008625097 556193513 /nfs/dbraw/zinc/19/35/13/556193513.db2.gz FZZGHBHUQKJSPI-HXUWFJFHSA-N 0 0 447.585 6.245 50 0 IKAARN O=C(NCc1cccs1)c1c(F)cccc1NC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000008626553 556193572 /nfs/dbraw/zinc/19/35/72/556193572.db2.gz AHJODBIZQCIXIT-JOCHJYFZSA-N 0 0 436.552 5.730 50 0 IKAARN O=C(Nc1cccc2ccccc21)Nc1ncccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008628246 556194138 /nfs/dbraw/zinc/19/41/38/556194138.db2.gz XGXZIYYQDRFVHX-UHFFFAOYSA-N 0 0 438.314 6.765 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(c1ccc(C)cc1)[S@](C)=O ZINC000008637210 556195391 /nfs/dbraw/zinc/19/53/91/556195391.db2.gz AFQQQWZHZOIARF-MUUNZHRXSA-N 0 0 438.336 5.597 50 0 IKAARN CCN(CC)C(=O)Oc1nc(SCC(=O)C(C)(C)C)nc(C)c1Cc1ccc(C)cc1 ZINC000008648044 556195596 /nfs/dbraw/zinc/19/55/96/556195596.db2.gz BZAULNQCHUEKFC-UHFFFAOYSA-N 0 0 443.613 5.232 50 0 IKAARN CCCCOc1cc(C(F)(F)F)nc2ccc(CSc3nc4ccccc4s3)cc21 ZINC000008648493 556196264 /nfs/dbraw/zinc/19/62/64/556196264.db2.gz NOTMZAIXVIGWDK-UHFFFAOYSA-N 0 0 448.535 7.335 50 0 IKAARN Cc1c2cc(Cl)ccc2sc1-c1cc(C(F)(F)F)n2nc(-c3cccs3)cc2n1 ZINC000008648584 556196288 /nfs/dbraw/zinc/19/62/88/556196288.db2.gz ZARMQYAUPGCDQG-UHFFFAOYSA-N 0 0 449.910 7.320 50 0 IKAARN CCOc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(C)c2)cc1 ZINC000008654009 556196824 /nfs/dbraw/zinc/19/68/24/556196824.db2.gz HLUUEMNCFIDELC-UHFFFAOYSA-N 0 0 441.560 5.810 50 0 IKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000008666239 556197681 /nfs/dbraw/zinc/19/76/81/556197681.db2.gz CYELZBNAKRZZAW-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c(OC)cc1Cl ZINC000008682384 556199289 /nfs/dbraw/zinc/19/92/89/556199289.db2.gz UBNMTCZOZUIUHM-UHFFFAOYSA-N 0 0 440.996 5.866 50 0 aggregator IKAARN COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(OC)cc4)cc3)CCCC2)cc1 ZINC000008682789 556199603 /nfs/dbraw/zinc/19/96/03/556199603.db2.gz VLSCYHLDGQJLAC-UHFFFAOYSA-N 0 0 444.531 5.407 50 0 IKAARN O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1cc(F)c(F)cc1Cl ZINC000008689989 556200278 /nfs/dbraw/zinc/20/02/78/556200278.db2.gz GOEINLWAVSHORP-UHFFFAOYSA-N 0 0 444.909 6.025 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000008706492 556201149 /nfs/dbraw/zinc/20/11/49/556201149.db2.gz TZTBZLZLNFXPFU-UHFFFAOYSA-N 0 0 429.545 5.669 50 0 IKAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000008715795 556201942 /nfs/dbraw/zinc/20/19/42/556201942.db2.gz JWQAVQVYXUENSC-DEOSSOPVSA-N 0 0 445.906 5.497 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000008715677 556201962 /nfs/dbraw/zinc/20/19/62/556201962.db2.gz JTXSKGZAHCUCJH-XDZZJOFBSA-N 0 0 425.484 5.282 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000008715773 556202054 /nfs/dbraw/zinc/20/20/54/556202054.db2.gz QXNFDMKPBBJSAR-VWLOTQADSA-N 0 0 437.499 5.312 50 0 IKAARN CCOC(=O)Nc1nc(-c2ccccc2)c(-c2nccc(OCC(F)(F)F)c2C)s1 ZINC000008715594 556202102 /nfs/dbraw/zinc/20/21/02/556202102.db2.gz ZHIHJSPVKJTPMJ-UHFFFAOYSA-N 0 0 437.443 5.690 50 0 IKAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1sc(C)nc1C ZINC000008717897 556202349 /nfs/dbraw/zinc/20/23/49/556202349.db2.gz WRTPLZKFDFZNJC-UHFFFAOYSA-N 0 0 439.537 5.062 50 0 IKAARN CC1(C)Cc2ccccc2-c2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c21 ZINC000008720957 556202829 /nfs/dbraw/zinc/20/28/29/556202829.db2.gz HXXIGZIGFFJDBJ-UHFFFAOYSA-N 0 0 438.596 6.085 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008739139 556205508 /nfs/dbraw/zinc/20/55/08/556205508.db2.gz VPKVOZMFVMSPSR-AHKZPQOWSA-N 0 0 446.978 7.151 50 0 IKAARN CCCCCCc1c(C)c2cc(Cl)c(OC(=O)c3ccc(OC)cc3)cc2oc1=O ZINC000008742947 556207782 /nfs/dbraw/zinc/20/77/82/556207782.db2.gz YQFXLHWWCHUBHW-UHFFFAOYSA-N 0 0 428.912 6.105 50 0 biogenic IKAARN Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C4CCCCC4)cc3)s2)cc1C ZINC000008743587 556208016 /nfs/dbraw/zinc/20/80/16/556208016.db2.gz VBDKPGSCDFIZIJ-UHFFFAOYSA-N 0 0 436.581 6.426 50 0 IKAARN O=C(Nc1nnc(COc2ccccc2Cl)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008743597 556208057 /nfs/dbraw/zinc/20/80/57/556208057.db2.gz CZDNBPWXSNGRLN-UHFFFAOYSA-N 0 0 429.716 5.721 50 0 IKAARN Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1[C@H](C)c1ccccc1 ZINC000008745518 556208999 /nfs/dbraw/zinc/20/89/99/556208999.db2.gz SQTRLROLBGHQGF-GOSISDBHSA-N 0 0 431.609 5.746 50 0 IKAARN COc1ccc2[nH]c(SCc3csc(N(C(C)=O)c4ccccc4F)n3)nc2c1 ZINC000008746446 556209634 /nfs/dbraw/zinc/20/96/34/556209634.db2.gz DWJBEXMENIJEEB-UHFFFAOYSA-N 0 0 428.514 5.144 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1 ZINC000008746520 556209684 /nfs/dbraw/zinc/20/96/84/556209684.db2.gz NXROUZBADIHNLT-HXUWFJFHSA-N 0 0 443.400 5.357 50 0 IKAARN CC(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1 ZINC000008748711 556210370 /nfs/dbraw/zinc/21/03/70/556210370.db2.gz ZUSRXHRYTGCMPN-UHFFFAOYSA-N 0 0 446.498 5.475 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1Oc1ccccc1)C1CCN3CC1 ZINC000008763213 556211738 /nfs/dbraw/zinc/21/17/38/556211738.db2.gz BAQGJGBOPDEEBC-UHFFFAOYSA-N 0 0 442.544 5.621 50 0 IKAARN O=C(c1ccccc1)n1c(-c2ccccc2)cs/c1=N\c1c(Cl)cccc1Cl ZINC000008765895 556212323 /nfs/dbraw/zinc/21/23/23/556212323.db2.gz MMHZVNQPYPMPQS-LVWGJNHUSA-N 0 0 425.340 6.444 50 0 IKAARN O=C(NCc1cccc2ccccc21)c1cccc(C(=O)NCc2cccc3ccccc32)c1 ZINC000008767954 556212592 /nfs/dbraw/zinc/21/25/92/556212592.db2.gz QYSJGSBRJNHVEZ-UHFFFAOYSA-N 0 0 444.534 5.853 50 0 IKAARN Clc1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc1 ZINC000008781286 556214629 /nfs/dbraw/zinc/21/46/29/556214629.db2.gz UZQJHVTVAIIQHH-UHFFFAOYSA-N 0 0 445.931 7.004 50 0 IKAARN COc1ccc(CSc2nc3cc(Cl)ccc3n2[C@H](C)c2ccccc2)cc1F ZINC000008779867 556214664 /nfs/dbraw/zinc/21/46/64/556214664.db2.gz KDMWHMWIHMSLIM-OAHLLOKOSA-N 0 0 426.944 6.739 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@H]4CCCC[C@@H]4c4sccc43)cc2)cc1 ZINC000008782724 556214908 /nfs/dbraw/zinc/21/49/08/556214908.db2.gz OIHIHXHRQAFSFC-PMVMPFDFSA-N 0 0 440.586 5.970 50 0 IKAARN COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](/C(C)=C\c2ccccc2)C1=O ZINC000097466100 556215023 /nfs/dbraw/zinc/21/50/23/556215023.db2.gz YFVRYFNPCLQFRN-JZEUCFOZSA-N 0 0 446.934 5.201 50 0 IKAARN Cc1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2-c2ccccc2)cc1 ZINC000008788303 556215262 /nfs/dbraw/zinc/21/52/62/556215262.db2.gz VVSNGOAXZXQUAV-QGZVFWFLSA-N 0 0 439.544 5.333 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C\c3ccccc3)c21 ZINC000097475299 556216686 /nfs/dbraw/zinc/21/66/86/556216686.db2.gz DKXAFVUPTBRPIK-FUDKHSSSSA-N 0 0 434.583 7.694 50 0 IKAARN O=C1CS[C@]2(SC(/C=C\c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 ZINC000097475216 556216703 /nfs/dbraw/zinc/21/67/03/556216703.db2.gz AXFALCCTGMJPEO-WIJSZAOYSA-N 0 0 429.570 5.658 50 0 IKAARN S=c1n(CN2CC[C@H](c3ccccc3)C2)nc(Cc2ccccc2)n1-c1ccccc1 ZINC000008815711 556217083 /nfs/dbraw/zinc/21/70/83/556217083.db2.gz YZOMUNVLYWOKIS-QHCPKHFHSA-N 0 0 426.589 5.441 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1c(Cl)cccc1Cl ZINC000008817657 556218457 /nfs/dbraw/zinc/21/84/57/556218457.db2.gz NTSKSMCDKKZDSQ-PKNBQFBNSA-N 0 0 437.282 5.592 50 0 IKAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N(CCCOC(C)C)Cc4ccco4)sc3c2c1 ZINC000008828561 556224882 /nfs/dbraw/zinc/22/48/82/556224882.db2.gz URIXKDVBEXJOBD-UHFFFAOYSA-N 0 0 438.549 5.102 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccco1)occ3-c1ccc(F)cc1 ZINC000008843564 556226389 /nfs/dbraw/zinc/22/63/89/556226389.db2.gz SUXJNDIGDGCWBY-UHFFFAOYSA-N 0 0 431.419 5.106 50 0 IKAARN Cc1cccc(C(=O)N/C(=C/c2cccc(Br)c2)c2nc3ccccc3[nH]2)c1 ZINC000008838173 556226432 /nfs/dbraw/zinc/22/64/32/556226432.db2.gz ADKXLDPVSICCSG-KGENOOAVSA-N 0 0 432.321 5.562 50 0 IKAARN Cc1ccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1C ZINC000008857154 556227701 /nfs/dbraw/zinc/22/77/01/556227701.db2.gz VUZONELWRGIEGN-UHFFFAOYSA-N 0 0 428.879 5.373 50 0 IKAARN CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 ZINC000008906266 556231665 /nfs/dbraw/zinc/23/16/65/556231665.db2.gz RJAHFSWGCFAQDA-UHFFFAOYSA-N 0 0 431.492 5.702 50 0 IKAARN CCCSc1nnc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)s1 ZINC000008916465 556232777 /nfs/dbraw/zinc/23/27/77/556232777.db2.gz BGLRZXKZMIWADJ-UHFFFAOYSA-N 0 0 438.003 5.028 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1OC)C(C)(C)N2 ZINC000008916647 556232880 /nfs/dbraw/zinc/23/28/80/556232880.db2.gz GFLSJAUUUFKOGE-ATJXCDBQSA-N 0 0 432.998 6.430 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000008919429 556233093 /nfs/dbraw/zinc/23/30/93/556233093.db2.gz UNDQEHFKFVPELE-UHFFFAOYSA-N 0 0 446.572 6.287 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cc(OC)ccc1OC)C(C)(C)N2 ZINC000008951320 556235765 /nfs/dbraw/zinc/23/57/65/556235765.db2.gz COPXLXMSDVMMAJ-LNVKXUELSA-N 0 0 428.579 5.786 50 0 IKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000008985083 556238385 /nfs/dbraw/zinc/23/83/85/556238385.db2.gz BRVOQLUYTAWBTP-UHFFFAOYSA-N 0 0 433.511 6.370 50 0 IKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(I)ccc1Cl ZINC000008990075 556238769 /nfs/dbraw/zinc/23/87/69/556238769.db2.gz HSJSOALEQIFNBP-UHFFFAOYSA-N 0 0 448.691 5.183 50 0 IKAARN Clc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3Cl)n2)cc1 ZINC000009008196 556240151 /nfs/dbraw/zinc/24/01/51/556240151.db2.gz MRXJPEPBBKQYSV-UHFFFAOYSA-N 0 0 445.147 7.110 50 0 IKAARN COc1ccc(OC)c(Nc2nc(-c3cccc(NC(=O)c4ccccc4)c3)cs2)c1 ZINC000009010594 556240920 /nfs/dbraw/zinc/24/09/20/556240920.db2.gz RCCHPBDJMDTNRV-UHFFFAOYSA-N 0 0 431.517 5.823 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000009035551 556241905 /nfs/dbraw/zinc/24/19/05/556241905.db2.gz OJFLUQGUAZPQCU-XUZZJYLKSA-N 0 0 437.326 6.054 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c(Cl)c1 ZINC000009046363 556242785 /nfs/dbraw/zinc/24/27/85/556242785.db2.gz MABCNGAYVJTSEX-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1cc(OC)ccc1OC ZINC000009046729 556243138 /nfs/dbraw/zinc/24/31/38/556243138.db2.gz LHRRKFRMDRKNHW-QHCPKHFHSA-N 0 0 435.501 6.641 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000009066239 556244805 /nfs/dbraw/zinc/24/48/05/556244805.db2.gz GSWNPNRRJILESS-SFHVURJKSA-N 0 0 434.348 5.732 50 0 IKAARN Clc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c(Cl)c1 ZINC000009087908 556245491 /nfs/dbraw/zinc/24/54/91/556245491.db2.gz PGSKUUODFFFMGO-UHFFFAOYSA-N 0 0 430.147 5.917 50 0 IKAARN Nc1c(Br)cc2oc(-c3ccc(Br)cc3)nc2c1Br ZINC000009088518 556245927 /nfs/dbraw/zinc/24/59/27/556245927.db2.gz IUGZCLNRHKYSTJ-UHFFFAOYSA-N 0 0 446.924 5.365 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000097550207 556246165 /nfs/dbraw/zinc/24/61/65/556246165.db2.gz GHZVBBKZVZRQKX-UHFFFAOYSA-N 0 0 442.894 5.101 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(CSc2ccccc2)s1 ZINC000009095475 556246526 /nfs/dbraw/zinc/24/65/26/556246526.db2.gz OTCDOOQCSRHMJY-UHFFFAOYSA-N 0 0 426.350 5.155 50 0 IKAARN O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Br)cc1 ZINC000009096315 556247035 /nfs/dbraw/zinc/24/70/35/556247035.db2.gz TVHWGGOXCCELGT-UHFFFAOYSA-N 0 0 445.363 5.527 50 0 IKAARN c1ccc([C@H]2c3c4nc(-c5ccccn5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000009109293 556247377 /nfs/dbraw/zinc/24/73/77/556247377.db2.gz NZBYWUOOQBVPKT-JOCHJYFZSA-N 0 0 427.467 5.625 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000009124351 556248158 /nfs/dbraw/zinc/24/81/58/556248158.db2.gz HMDSFWUKTJUOGT-UHFFFAOYSA-N 0 0 442.371 6.409 50 0 IKAARN CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000009130592 556248886 /nfs/dbraw/zinc/24/88/86/556248886.db2.gz WWSVXPPYVKSWQZ-UHFFFAOYSA-N 0 0 441.890 5.239 50 0 IKAARN Nc1c(C(=O)Nc2nccs2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 ZINC000009186794 556250796 /nfs/dbraw/zinc/25/07/96/556250796.db2.gz YGTUKDWDLBVLTM-UHFFFAOYSA-N 0 0 426.592 5.585 50 0 IKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000009191485 556253756 /nfs/dbraw/zinc/25/37/56/556253756.db2.gz RUZGBMMOVATFQN-QHCPKHFHSA-N 0 0 429.907 5.679 50 0 IKAARN CCCC[C@@H](C(=O)Nc1ccc(Oc2cccc(C)c2)cc1)N1C(=O)c2ccccc2C1=O ZINC000009202218 556257662 /nfs/dbraw/zinc/25/76/62/556257662.db2.gz ILHYXPDODDVSIG-DEOSSOPVSA-N 0 0 442.515 5.581 50 0 IKAARN Cc1ccc(-c2nnc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)o2)cc1 ZINC000009225089 556258942 /nfs/dbraw/zinc/25/89/42/556258942.db2.gz PXVJZRCXPSTWJK-UHFFFAOYSA-N 0 0 445.522 6.483 50 0 IKAARN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000009226180 556260061 /nfs/dbraw/zinc/26/00/61/556260061.db2.gz PXOKPEGTZPTJGS-UHFFFAOYSA-N 0 0 429.303 5.184 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000009226633 556260398 /nfs/dbraw/zinc/26/03/98/556260398.db2.gz GAXSHIOFWCVZNL-UHFFFAOYSA-N 0 0 437.008 7.162 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(OCC)c4)cc3n2)cc1 ZINC000009226550 556260443 /nfs/dbraw/zinc/26/04/43/556260443.db2.gz YTTGACZUEFMWCS-UHFFFAOYSA-N 0 0 448.954 6.068 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3C)oc2c(C)c1 ZINC000009226601 556260474 /nfs/dbraw/zinc/26/04/74/556260474.db2.gz IHYSYRMRZLWRJI-UHFFFAOYSA-N 0 0 446.375 6.368 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(-c3ccc(OC(C)C)cc3)cc(C(F)(F)F)c12 ZINC000009227575 556261082 /nfs/dbraw/zinc/26/10/82/556261082.db2.gz MOLWRYJZUKWLRW-UHFFFAOYSA-N 0 0 425.454 6.510 50 0 IKAARN O=C(C[C@@H](Nc1ccccc1)c1ccccc1)c1ccc(I)cc1 ZINC000009235287 556263557 /nfs/dbraw/zinc/26/35/57/556263557.db2.gz NRMDDYPFLXYQED-HXUWFJFHSA-N 0 0 427.285 5.717 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 ZINC000009252472 556267313 /nfs/dbraw/zinc/26/73/13/556267313.db2.gz CKRIKVGBTDZVRI-UHFFFAOYSA-N 0 0 442.563 5.706 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009260632 556268351 /nfs/dbraw/zinc/26/83/51/556268351.db2.gz KCELZOQRERBOBQ-UHFFFAOYSA-N 0 0 442.928 5.104 50 0 IKAARN O=C1NC(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000009260710 556268402 /nfs/dbraw/zinc/26/84/02/556268402.db2.gz GLYPLOLDXHSYTI-DEDYPNTBSA-N 0 0 439.298 5.670 50 0 IKAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000009260862 556268716 /nfs/dbraw/zinc/26/87/16/556268716.db2.gz XYFGDRCVZVEKQB-PXLXIMEGSA-N 0 0 428.513 5.337 50 0 IKAARN COc1cc(/C=C/c2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)ccc1O ZINC000009272615 556271460 /nfs/dbraw/zinc/27/14/60/556271460.db2.gz ZYIYBUORJKVXBZ-XYOKQWHBSA-N 0 0 449.304 5.033 50 0 IKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000009281371 556272103 /nfs/dbraw/zinc/27/21/03/556272103.db2.gz GBIMRDBMWNANJF-UHFFFAOYSA-N 0 0 432.479 5.698 50 0 IKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000009288208 556272566 /nfs/dbraw/zinc/27/25/66/556272566.db2.gz OQFFUJQYXRWHAW-DEOSSOPVSA-N 0 0 425.488 5.034 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009288237 556272831 /nfs/dbraw/zinc/27/28/31/556272831.db2.gz TUHCLXGIDDEWGP-SANMLTNESA-N 0 0 436.559 6.396 50 0 IKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000009289103 556273367 /nfs/dbraw/zinc/27/33/67/556273367.db2.gz MAMQYOGMNPVGRZ-CYBMUJFWSA-N 0 0 433.291 5.553 50 0 IKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C(C)C)cc2)n2c3ccccc3nc2N1 ZINC000009289253 556273765 /nfs/dbraw/zinc/27/37/65/556273765.db2.gz QHLCJTMZAPDBOC-RUZDIDTESA-N 0 0 440.522 6.226 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cc2ccccc2oc1=O ZINC000009289620 556273792 /nfs/dbraw/zinc/27/37/92/556273792.db2.gz KMVNHUJZEMNDKW-UHFFFAOYSA-N 0 0 433.272 5.125 50 0 IKAARN CCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)NC1=S ZINC000009295998 556275159 /nfs/dbraw/zinc/27/51/59/556275159.db2.gz CLFHJXGEOMFXKX-SXGWCWSVSA-N 0 0 441.767 5.303 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2F)s1)Nc1ccc(Cl)cc1Cl ZINC000009301693 556275927 /nfs/dbraw/zinc/27/59/27/556275927.db2.gz ZRRZIPVONLWHNK-UHFFFAOYSA-N 0 0 429.329 5.920 50 0 IKAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1F ZINC000013685680 556276029 /nfs/dbraw/zinc/27/60/29/556276029.db2.gz WERJCEBPLIGENA-UHFFFAOYSA-N 0 0 428.529 5.048 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1C ZINC000009305547 556276551 /nfs/dbraw/zinc/27/65/51/556276551.db2.gz CVVIQFARBMNKFD-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1C ZINC000009305017 556276601 /nfs/dbraw/zinc/27/66/01/556276601.db2.gz RTNNWNPXHNEPJP-UHFFFAOYSA-N 0 0 440.657 5.860 50 0 IKAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000009305967 556276867 /nfs/dbraw/zinc/27/68/67/556276867.db2.gz NTPNZCXSDUKWHM-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2Cl)cc1 ZINC000009307120 556277225 /nfs/dbraw/zinc/27/72/25/556277225.db2.gz OBYPBJJWFLTBMX-RMKNXTFCSA-N 0 0 438.383 7.047 50 0 IKAARN Cc1cccc(-c2nnc(SCc3cccc4ccccc43)n2-c2ccc(Cl)cc2)c1 ZINC000009307546 556277494 /nfs/dbraw/zinc/27/74/94/556277494.db2.gz ZFBTWEYJPZGHMY-UHFFFAOYSA-N 0 0 441.987 7.342 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2C)cc1 ZINC000009307796 556277498 /nfs/dbraw/zinc/27/74/98/556277498.db2.gz LYCJATRYRCJWGT-UHFFFAOYSA-N 0 0 430.533 5.314 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC000009308275 556277868 /nfs/dbraw/zinc/27/78/68/556277868.db2.gz ISKZYCKRFSDHSV-UHFFFAOYSA-N 0 0 436.512 5.073 50 0 IKAARN Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000009309152 556278191 /nfs/dbraw/zinc/27/81/91/556278191.db2.gz ONGHXJGCPDVUAE-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN COc1cccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccc(Cl)cc2)c1 ZINC000009308949 556278222 /nfs/dbraw/zinc/27/82/22/556278222.db2.gz KFQXIMOBFUHNFF-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN COc1cccc(CSc2nnc(-c3cccc(OC)c3)n2-c2ccc(Cl)cc2)c1 ZINC000009308967 556278247 /nfs/dbraw/zinc/27/82/47/556278247.db2.gz SQWXTUZIRKLMGP-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2-c2ccccc2)cc1 ZINC000009309424 556278523 /nfs/dbraw/zinc/27/85/23/556278523.db2.gz MDBOFCHSZNUPSD-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000009309544 556278557 /nfs/dbraw/zinc/27/85/57/556278557.db2.gz FKNHDHNGXJQROV-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000013689291 556278681 /nfs/dbraw/zinc/27/86/81/556278681.db2.gz NERHSBRLOLZQSB-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000009309559 556278819 /nfs/dbraw/zinc/27/88/19/556278819.db2.gz LSJLHVSGJZWUKV-UHFFFAOYSA-N 0 0 441.600 6.515 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1 ZINC000013690247 556279347 /nfs/dbraw/zinc/27/93/47/556279347.db2.gz XILABHKMBLMNDO-JOCHJYFZSA-N 0 0 434.879 5.005 50 0 IKAARN COc1ccc(N(Cc2ccco2)C(=S)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000013690977 556280417 /nfs/dbraw/zinc/28/04/17/556280417.db2.gz HVYJZWDBRZPPQZ-UHFFFAOYSA-N 0 0 436.455 5.719 50 0 IKAARN Cc1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000009322146 556281006 /nfs/dbraw/zinc/28/10/06/556281006.db2.gz QTMIUCKBEYFYLJ-HMAPJEAMSA-N 0 0 432.907 5.320 50 0 IKAARN Cc1c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2oc1C(=O)c1ccccc1 ZINC000013693362 556282910 /nfs/dbraw/zinc/28/29/10/556282910.db2.gz QGLAOOFGWFPXPP-UHFFFAOYSA-N 0 0 425.271 5.926 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000009336832 556283006 /nfs/dbraw/zinc/28/30/06/556283006.db2.gz KSSAANOUXAHASG-RUZDIDTESA-N 0 0 447.629 5.719 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)cc1OC ZINC000013712511 556285072 /nfs/dbraw/zinc/28/50/72/556285072.db2.gz DUTOJRZOEMPKBN-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN c1csc(C2=NN(c3ccccc3)[C@@H](c3cn(-c4ccccc4)nc3-c3cccnc3)C2)c1 ZINC000009363752 556285812 /nfs/dbraw/zinc/28/58/12/556285812.db2.gz BZOAPMZRLJPTCU-RUZDIDTESA-N 0 0 447.567 6.352 50 0 IKAARN Cc1ccc(N[C@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2ccccc2)cc1Cl ZINC000009371664 556286476 /nfs/dbraw/zinc/28/64/76/556286476.db2.gz OGHVHXBKJKTYID-JOCHJYFZSA-N 0 0 435.907 5.128 50 0 IKAARN CCc1cccc(C)c1N(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)[C@H](C)COC ZINC000009408863 556287884 /nfs/dbraw/zinc/28/78/84/556287884.db2.gz GNBPPQHYTGZHBO-OAHLLOKOSA-N 0 0 431.989 5.247 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000009410375 556288108 /nfs/dbraw/zinc/28/81/08/556288108.db2.gz BGTQDQSOFJSZIH-ZFWWWQNUSA-N 0 0 428.773 5.181 50 0 IKAARN CCc1ccc(NC(=O)CSc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000009411258 556288736 /nfs/dbraw/zinc/28/87/36/556288736.db2.gz YYXRZSHXBGQKGM-UHFFFAOYSA-N 0 0 448.975 6.142 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3c(F)cccc3Cl)C2)cc1OC ZINC000009419099 556289188 /nfs/dbraw/zinc/28/91/88/556289188.db2.gz OQYHKFAWONMHKP-KRWDZBQOSA-N 0 0 428.847 5.081 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009419092 556289240 /nfs/dbraw/zinc/28/92/40/556289240.db2.gz KZDAAUSHMJOFKY-HXUWFJFHSA-N 0 0 431.879 5.139 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000013721091 556290046 /nfs/dbraw/zinc/29/00/46/556290046.db2.gz GVCNDYNLPVVDAQ-QHCPKHFHSA-N 0 0 440.902 5.676 50 0 IKAARN Cc1c(C)n(CC(C)C)c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000013723930 556291887 /nfs/dbraw/zinc/29/18/87/556291887.db2.gz JJDJXIHMWUJKCX-UHFFFAOYSA-N 0 0 430.595 5.216 50 0 IKAARN CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OC(C)C)c1)N(c1cc(C)on1)C3=O ZINC000009449560 556292439 /nfs/dbraw/zinc/29/24/39/556292439.db2.gz TTXFHUREMRQEAW-HSZRJFAPSA-N 0 0 444.487 5.189 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000009462231 556293303 /nfs/dbraw/zinc/29/33/03/556293303.db2.gz VWQIASPGQISLOM-XZOQPEGZSA-N 0 0 448.860 5.422 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2Cc2ccco2)cc1 ZINC000009479973 556293835 /nfs/dbraw/zinc/29/38/35/556293835.db2.gz GSWQOGQDWRTQFK-UHFFFAOYSA-N 0 0 436.512 5.073 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)c1 ZINC000009480105 556293900 /nfs/dbraw/zinc/29/39/00/556293900.db2.gz XIVWAVRZTSAQBC-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN CC(C)c1ccc(NC(=S)N(CCN2CCOCC2)Cc2cccc3ccccc32)cc1 ZINC000013728110 556294205 /nfs/dbraw/zinc/29/42/05/556294205.db2.gz OOIDIBLGEICQBM-UHFFFAOYSA-N 0 0 447.648 5.494 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccc(Cl)c1 ZINC000009497950 556295128 /nfs/dbraw/zinc/29/51/28/556295128.db2.gz FNTWSDRTKOTMIF-UHFFFAOYSA-N 0 0 440.878 5.368 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000009498134 556295165 /nfs/dbraw/zinc/29/51/65/556295165.db2.gz ADKFYXPWMMILIM-UHFFFAOYSA-N 0 0 448.979 6.016 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2Cc2ccco2)c1 ZINC000009499725 556295572 /nfs/dbraw/zinc/29/55/72/556295572.db2.gz UFZCPPCSLDPURK-UHFFFAOYSA-N 0 0 430.360 6.494 50 0 IKAARN Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1 ZINC000009499160 556295582 /nfs/dbraw/zinc/29/55/82/556295582.db2.gz ZOKSMXJEJINDNE-UHFFFAOYSA-N 0 0 435.354 7.386 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 ZINC000009499619 556295597 /nfs/dbraw/zinc/29/55/97/556295597.db2.gz MYLWSEURNUZBEE-UHFFFAOYSA-N 0 0 448.548 5.024 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1 ZINC000009525794 556296060 /nfs/dbraw/zinc/29/60/60/556296060.db2.gz PJHAWIOLYGHNNT-UHFFFAOYSA-N 0 0 444.918 5.968 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1C ZINC000009546558 556297606 /nfs/dbraw/zinc/29/76/06/556297606.db2.gz HKBFPSBLQLUODP-NRFANRHFSA-N 0 0 439.515 5.447 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1C ZINC000009546559 556297610 /nfs/dbraw/zinc/29/76/10/556297610.db2.gz HKBFPSBLQLUODP-OAQYLSRUSA-N 0 0 439.515 5.447 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009546532 556297695 /nfs/dbraw/zinc/29/76/95/556297695.db2.gz KRRCXFVDSBDXPF-VWLOTQADSA-N 0 0 439.515 5.467 50 0 IKAARN O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2)C1 ZINC000009546632 556297700 /nfs/dbraw/zinc/29/77/00/556297700.db2.gz ZXLPPLNAHIWTJQ-OAQYLSRUSA-N 0 0 445.316 5.823 50 0 IKAARN O=C(/N=S(/C=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013739213 556298083 /nfs/dbraw/zinc/29/80/83/556298083.db2.gz GLPLIGNACKYUKD-CCEZHUSRSA-N 0 0 443.355 5.951 50 0 IKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1/C=C/c1ccc(Br)cc1O ZINC000013739127 556298130 /nfs/dbraw/zinc/29/81/30/556298130.db2.gz MHYZTSCNTCYKSW-ACCUITESSA-N 0 0 433.305 5.333 50 0 IKAARN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013748527 556298402 /nfs/dbraw/zinc/29/84/02/556298402.db2.gz WSMXMJCTVDPPQB-UHFFFAOYSA-N 0 0 449.403 5.827 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000013748557 556298462 /nfs/dbraw/zinc/29/84/62/556298462.db2.gz JGSRVEJWRTVZMR-NHYWBVRUSA-N 0 0 429.945 5.766 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(Cc4ccccc4)n(Cc4ccccc4)c(=O)c23)C1 ZINC000013750969 556299000 /nfs/dbraw/zinc/29/90/00/556299000.db2.gz MPBUVXZOTUEAOE-OAQYLSRUSA-N 0 0 442.628 6.248 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Br)cc1)O2 ZINC000013751042 556299029 /nfs/dbraw/zinc/29/90/29/556299029.db2.gz ONDZOWGGSNBILP-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 ZINC000009560010 556299166 /nfs/dbraw/zinc/29/91/66/556299166.db2.gz SEEXJLDNZLYYPO-FQEVSTJZSA-N 0 0 431.532 5.402 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000013752069 556299416 /nfs/dbraw/zinc/29/94/16/556299416.db2.gz CGHBFWDEHJRTAV-NQIIRXRSSA-N 0 0 443.286 5.615 50 0 IKAARN Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(C)c1 ZINC000009561431 556299750 /nfs/dbraw/zinc/29/97/50/556299750.db2.gz XXIMBJOFCNWHGA-NRFANRHFSA-N 0 0 425.866 6.487 50 0 IKAARN CCOc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000009561433 556299791 /nfs/dbraw/zinc/29/97/91/556299791.db2.gz OXWSHWQMKWQHSC-NRFANRHFSA-N 0 0 441.865 6.268 50 0 IKAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569611 556299850 /nfs/dbraw/zinc/29/98/50/556299850.db2.gz YBTNUJJHEYPTPH-LJQANCHMSA-N 0 0 441.597 5.180 50 0 IKAARN COc1ccccc1N[C@@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl ZINC000009561424 556299882 /nfs/dbraw/zinc/29/98/82/556299882.db2.gz AXTAHGYFRUVONW-HXUWFJFHSA-N 0 0 427.838 5.878 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3C)c3cc(C)ccc3n2)cc1 ZINC000009581366 556300398 /nfs/dbraw/zinc/30/03/98/556300398.db2.gz DTAQOVIDTIVFIP-UHFFFAOYSA-N 0 0 438.527 5.931 50 0 IKAARN CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(C(O)(c4ccccc4)c4ccccc4)CC1)(C3)C2 ZINC000013756269 556300560 /nfs/dbraw/zinc/30/05/60/556300560.db2.gz WALOZKVZBRZLRW-RJAVSUSUSA-N 0 0 443.631 5.768 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000009581464 556300721 /nfs/dbraw/zinc/30/07/21/556300721.db2.gz HOEKCKWYBBSTNW-CQSZACIVSA-N 0 0 434.879 5.240 50 0 IKAARN Cc1cccc(-c2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n[nH]2)c1 ZINC000009582255 556300752 /nfs/dbraw/zinc/30/07/52/556300752.db2.gz BUYHTAMGRPJZDH-UHFFFAOYSA-N 0 0 426.851 5.183 50 0 IKAARN CC(C)[C@H]1O[C@@H](c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)OCC1(C)C ZINC000009584796 556301119 /nfs/dbraw/zinc/30/11/19/556301119.db2.gz XFTCCBHTEDMMLI-IAPPQJPRSA-N 0 0 443.587 6.553 50 0 IKAARN Cc1ccc(C(=O)[C@H](CC(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009591935 556301510 /nfs/dbraw/zinc/30/15/10/556301510.db2.gz RXESRLGDRDYJNV-VWLOTQADSA-N 0 0 434.557 5.218 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccccc2F)cc1 ZINC000013758724 556301556 /nfs/dbraw/zinc/30/15/56/556301556.db2.gz XTJHQHLJQCLRRX-UHFFFAOYSA-N 0 0 432.495 5.461 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(NCCC(C)C)n1)CCC4 ZINC000013759076 556301566 /nfs/dbraw/zinc/30/15/66/556301566.db2.gz WHULKGLNKYWVIT-UHFFFAOYSA-N 0 0 434.634 6.575 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)no2)cc1 ZINC000009597830 556301805 /nfs/dbraw/zinc/30/18/05/556301805.db2.gz SLUJOBSTSXJCCS-UHFFFAOYSA-N 0 0 443.290 5.154 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000009597824 556301811 /nfs/dbraw/zinc/30/18/11/556301811.db2.gz MJUDDMUKLHNLSY-UHFFFAOYSA-N 0 0 448.500 5.508 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccccn2)Nc2ccccc2-3)cc1 ZINC000009597083 556301829 /nfs/dbraw/zinc/30/18/29/556301829.db2.gz QQWNTLBNIWOFQB-FQEVSTJZSA-N 0 0 433.924 5.382 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000009597894 556302141 /nfs/dbraw/zinc/30/21/41/556302141.db2.gz DZPDWCNZLWOEFH-UHFFFAOYSA-N 0 0 439.320 5.756 50 0 IKAARN CCOc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(Cl)c1OCC ZINC000009601926 556302805 /nfs/dbraw/zinc/30/28/05/556302805.db2.gz DIIMFBDCNGLCDZ-IBGZPJMESA-N 0 0 444.944 5.214 50 0 IKAARN COc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000009606500 556303075 /nfs/dbraw/zinc/30/30/75/556303075.db2.gz MDWPBAHMIJAJSL-FQEVSTJZSA-N 0 0 444.293 6.393 50 0 IKAARN Fc1ccc([C@@H](Nc2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c(Cl)c1 ZINC000009606645 556303084 /nfs/dbraw/zinc/30/30/84/556303084.db2.gz UABTZILMFKFRTB-LJQANCHMSA-N 0 0 432.257 6.523 50 0 IKAARN COc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000009607333 556303258 /nfs/dbraw/zinc/30/32/58/556303258.db2.gz IJZUMYDHBQFUGI-HXUWFJFHSA-N 0 0 434.883 5.310 50 0 IKAARN CCN(C(=O)Nc1cccc(OC)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606933 556303275 /nfs/dbraw/zinc/30/32/75/556303275.db2.gz BDXWVJQCBIKPAE-UHFFFAOYSA-N 0 0 432.343 5.640 50 0 IKAARN CCN(C(=O)Nc1cccc(C(C)=O)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606915 556303311 /nfs/dbraw/zinc/30/33/11/556303311.db2.gz PHHTXQFGXLMHIL-UHFFFAOYSA-N 0 0 444.354 5.834 50 0 IKAARN CCCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607086 556303333 /nfs/dbraw/zinc/30/33/33/556303333.db2.gz DGQCQLDNZYOJDA-UHFFFAOYSA-N 0 0 449.620 7.315 50 0 IKAARN CCCN(C(=O)Nc1cc(C)cc(C)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009606986 556303357 /nfs/dbraw/zinc/30/33/57/556303357.db2.gz LQSVHNKQOYRZMM-UHFFFAOYSA-N 0 0 447.648 7.923 50 0 IKAARN CCN(C(=O)Nc1cc(C)ccc1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606936 556303367 /nfs/dbraw/zinc/30/33/67/556303367.db2.gz KMIPNKKAVXNQPI-UHFFFAOYSA-N 0 0 430.371 6.248 50 0 IKAARN COc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000009607330 556303388 /nfs/dbraw/zinc/30/33/88/556303388.db2.gz IJZUMYDHBQFUGI-FQEVSTJZSA-N 0 0 434.883 5.310 50 0 IKAARN CCSc1nsc(NC(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000009614826 556303999 /nfs/dbraw/zinc/30/39/99/556303999.db2.gz CGZQKODBZFYRFJ-UHFFFAOYSA-N 0 0 433.946 5.200 50 0 IKAARN CCOc1cc(C(=O)NC[C@H](c2ccccc2)C2CCCCC2)cc(OCC)c1OCC ZINC000009614368 556304005 /nfs/dbraw/zinc/30/40/05/556304005.db2.gz NWGYMBAIIKEDTI-HSZRJFAPSA-N 0 0 439.596 5.977 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013768364 556304230 /nfs/dbraw/zinc/30/42/30/556304230.db2.gz JNBFYKPRYOJVCI-AUSIDOKSSA-N 0 0 439.298 5.964 50 0 IKAARN CCCCN(CC)c1nc(SC)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013768546 556304262 /nfs/dbraw/zinc/30/42/62/556304262.db2.gz JEBKFTFONSZVJG-UHFFFAOYSA-N 0 0 448.661 6.744 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c(Cl)c1 ZINC000013768625 556304268 /nfs/dbraw/zinc/30/42/68/556304268.db2.gz YFVDRWSYNVHUJT-WMZHIEFXSA-N 0 0 439.298 5.964 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4)cc3n2)cc1 ZINC000009667271 556304838 /nfs/dbraw/zinc/30/48/38/556304838.db2.gz XKVRYCDVHLCETI-UHFFFAOYSA-N 0 0 428.536 5.397 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(C)c(C)c2)cc1 ZINC000013770401 556304960 /nfs/dbraw/zinc/30/49/60/556304960.db2.gz LICZYZOKOSFQNC-UHFFFAOYSA-N 0 0 442.559 5.938 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C ZINC000009668076 556305147 /nfs/dbraw/zinc/30/51/47/556305147.db2.gz QILADDOGGCNZBH-UHFFFAOYSA-N 0 0 428.275 5.766 50 0 IKAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(Cl)cc4)nc3c1[C@@H]2c1ccccc1 ZINC000013770957 556305315 /nfs/dbraw/zinc/30/53/15/556305315.db2.gz GQWWUPAVOQUKKX-HXUWFJFHSA-N 0 0 426.863 5.436 50 0 IKAARN CC[C@]1(C)C[C@@](CCNC(=O)c2ccc(OC(C)(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000013773578 556306004 /nfs/dbraw/zinc/30/60/04/556306004.db2.gz RIBIQRJPMSFPRS-SXOMAYOGSA-N 0 0 441.587 6.040 50 0 IKAARN CCn1c2ccc(C(=O)Oc3cc4sc(C)nc4c4sccc43)cc2nc(C)c1=O ZINC000032738075 556306926 /nfs/dbraw/zinc/30/69/26/556306926.db2.gz PYIUCGGGKSHMRL-UHFFFAOYSA-N 0 0 435.530 5.077 50 0 IKAARN CCCCn1c2nc3ccccc3nc2c(C(=O)OCC)c1NC(=O)/C=C/c1ccccc1 ZINC000013774915 556307137 /nfs/dbraw/zinc/30/71/37/556307137.db2.gz RNUWXJDUILFUAS-FOCLMDBBSA-N 0 0 442.519 5.213 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013777309 556307479 /nfs/dbraw/zinc/30/74/79/556307479.db2.gz ORTBOYKLHTYEIZ-ATIYNZHBSA-N 0 0 446.934 6.434 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1Br ZINC000013776747 556307501 /nfs/dbraw/zinc/30/75/01/556307501.db2.gz FVAQXQHMGOSKMN-DYESRHJHSA-N 0 0 441.350 5.762 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013776919 556307507 /nfs/dbraw/zinc/30/75/07/556307507.db2.gz GCVWRKJCELMRCW-NZSAHSFTSA-N 0 0 445.327 5.106 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013777307 556307574 /nfs/dbraw/zinc/30/75/74/556307574.db2.gz ORTBOYKLHTYEIZ-GJZUVCINSA-N 0 0 446.934 6.434 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013776838 556307580 /nfs/dbraw/zinc/30/75/80/556307580.db2.gz LKOULUVEGIFPMG-HYBUGGRVSA-N 0 0 434.879 5.320 50 0 IKAARN S=C(NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1ccccc1 ZINC000009730809 556307985 /nfs/dbraw/zinc/30/79/85/556307985.db2.gz GDHSKECXQXFJPH-UHFFFAOYSA-N 0 0 443.614 6.352 50 0 IKAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN32)c1 ZINC000013778938 556308184 /nfs/dbraw/zinc/30/81/84/556308184.db2.gz NGWJHFYUNHTFHH-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4Cl)=NN32)c1 ZINC000013778935 556308245 /nfs/dbraw/zinc/30/82/45/556308245.db2.gz NGWJHFYUNHTFHH-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN O=C(C[C@H](NC(=S)N1CCC(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1 ZINC000013778890 556308254 /nfs/dbraw/zinc/30/82/54/556308254.db2.gz PTCKNKVOIGMCPU-SANMLTNESA-N 0 0 442.628 5.830 50 0 IKAARN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013779184 556308304 /nfs/dbraw/zinc/30/83/04/556308304.db2.gz UMZFKDLJITZBCJ-CYXNTTPDSA-N 0 0 434.495 5.199 50 0 IKAARN Cc1ccc(-n2c(=O)c3cnn(-c4ccccc4)c3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000009762200 556308322 /nfs/dbraw/zinc/30/83/22/556308322.db2.gz FPMNLNUFGIBWLE-UHFFFAOYSA-N 0 0 426.907 5.509 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1 ZINC000009779998 556308655 /nfs/dbraw/zinc/30/86/55/556308655.db2.gz ORUPSNLUAKOLKH-UHFFFAOYSA-N 0 0 434.923 6.503 50 0 IKAARN O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1)c1ccccc1 ZINC000013785741 556308785 /nfs/dbraw/zinc/30/87/85/556308785.db2.gz ZEVNTDUUQLSHFN-XCZPVHLTSA-N 0 0 446.506 6.148 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009804816 556308952 /nfs/dbraw/zinc/30/89/52/556308952.db2.gz GGTXGGSOVLTNTQ-UHFFFAOYSA-N 0 0 428.532 5.065 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000009781535 556308964 /nfs/dbraw/zinc/30/89/64/556308964.db2.gz PKANNTXBLCUYAQ-UHFFFAOYSA-N 0 0 436.577 5.139 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000013786172 556309122 /nfs/dbraw/zinc/30/91/22/556309122.db2.gz IXPJGZQLQJOSEA-OAQYLSRUSA-N 0 0 445.544 5.210 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)Oc3ccc(Cl)cc3Br)sc2c1 ZINC000009805624 556309407 /nfs/dbraw/zinc/30/94/07/556309407.db2.gz JXSUAEKYCGZMBR-UHFFFAOYSA-N 0 0 432.122 6.198 50 0 IKAARN COc1ccc(-c2nc(-c3cc(OC)c(OC)cc3OC)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000013798770 556309741 /nfs/dbraw/zinc/30/97/41/556309741.db2.gz YCNHZHRMDDJNPL-UHFFFAOYSA-N 0 0 446.503 5.454 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1C ZINC000009830268 556310368 /nfs/dbraw/zinc/31/03/68/556310368.db2.gz XRZVOZZCEUBYKL-XMMPIXPASA-N 0 0 430.548 5.142 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1 ZINC000013801512 556310524 /nfs/dbraw/zinc/31/05/24/556310524.db2.gz OVDRZWZANJLRSP-ZHZULCJRSA-N 0 0 439.433 6.607 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013806149 556311147 /nfs/dbraw/zinc/31/11/47/556311147.db2.gz QZVLTMRQRNVSHN-CJFMBICVSA-N 0 0 448.906 5.710 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccco2)c1 ZINC000013805051 556311174 /nfs/dbraw/zinc/31/11/74/556311174.db2.gz OGHNAMYTDRGTPQ-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2-c2ccc(OCC)cc2)cc1 ZINC000013807004 556311235 /nfs/dbraw/zinc/31/12/35/556311235.db2.gz CKCYSEJAQHXPFF-RFBIWTDZSA-N 0 0 434.536 6.375 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013810127 556311846 /nfs/dbraw/zinc/31/18/46/556311846.db2.gz JKTNYDSHFOEPRS-XNMGPUDCSA-N 0 0 428.532 6.116 50 0 IKAARN Cc1ccc2occ([C@@H]3Oc4ccccc4[C@H]4CC(c5ccc(Cl)cc5)=NN43)c(=O)c2c1 ZINC000013810209 556311913 /nfs/dbraw/zinc/31/19/13/556311913.db2.gz HWACLPWDFOEXOK-GJZUVCINSA-N 0 0 442.902 5.997 50 0 IKAARN COc1ccc(/N=c2\scc(-c3ccccc3)n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000013810973 556312233 /nfs/dbraw/zinc/31/22/33/556312233.db2.gz PXELFKOGYWEKRO-RQZHXJHFSA-N 0 0 446.572 5.718 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cc(C)ccc2Cl)cc1 ZINC000013811106 556312287 /nfs/dbraw/zinc/31/22/87/556312287.db2.gz GVBGOKWFMDGKTB-UHFFFAOYSA-N 0 0 448.950 5.893 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2OC)cc1 ZINC000013811210 556312619 /nfs/dbraw/zinc/31/26/19/556312619.db2.gz QGTKQVVCTSUJMK-UHFFFAOYSA-N 0 0 444.531 5.248 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4ccccc4)nn3cnc1O2 ZINC000013816589 556314535 /nfs/dbraw/zinc/31/45/35/556314535.db2.gz ZDKBTSCUKZQZNW-NRFANRHFSA-N 0 0 446.470 5.164 50 0 IKAARN Cc1cccc2c(=O)[nH]c(CSc3ncnc4scc(-c5ccc(F)cc5)c43)nc12 ZINC000032745281 556315090 /nfs/dbraw/zinc/31/50/90/556315090.db2.gz IZNUQCOXDLVIEJ-UHFFFAOYSA-N 0 0 434.521 5.335 50 0 IKAARN CCCn1c2ccc(Cl)cc2nc1S[C@@H](C)c1nnc(-c2ccc(OC)cc2)o1 ZINC000032745327 556315111 /nfs/dbraw/zinc/31/51/11/556315111.db2.gz KDWHYLGJTXRKEM-ZDUSSCGKSA-N 0 0 428.945 6.012 50 0 IKAARN COc1ccc(NC(=O)COc2ccc(-c3nc(C(C)(C)C)cs3)cc2)cc1OC ZINC000032745474 556315327 /nfs/dbraw/zinc/31/53/27/556315327.db2.gz ZBJRDXVFNBRUIX-UHFFFAOYSA-N 0 0 426.538 5.142 50 0 IKAARN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000009892108 556315380 /nfs/dbraw/zinc/31/53/80/556315380.db2.gz ODSCSZPHUXTEKF-SFHVURJKSA-N 0 0 442.515 6.423 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000009892195 556315402 /nfs/dbraw/zinc/31/54/02/556315402.db2.gz PXSHGZBNWIEHGI-LBPRGKRZSA-N 0 0 447.284 6.018 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C)c(C)c1 ZINC000009892167 556315408 /nfs/dbraw/zinc/31/54/08/556315408.db2.gz BSEIHNTXEMZXLS-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN O=C(NCCc1nc2ccccc2n1CCOc1ccc2ccccc2c1)C1CCCCC1 ZINC000013831580 556317028 /nfs/dbraw/zinc/31/70/28/556317028.db2.gz BVQFJGXHSDAJHA-UHFFFAOYSA-N 0 0 441.575 5.508 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc3sc(COc4ccc(Br)cc4)nn32)cc1 ZINC000009933319 556317083 /nfs/dbraw/zinc/31/70/83/556317083.db2.gz IDOWGESCAIEWCZ-UHFFFAOYSA-N 0 0 443.370 5.492 50 0 IKAARN CCc1nnc2sc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)nn12 ZINC000013839289 556317487 /nfs/dbraw/zinc/31/74/87/556317487.db2.gz XTGQELNUXCNIIL-UHFFFAOYSA-N 0 0 439.953 5.536 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 ZINC000013839316 556317582 /nfs/dbraw/zinc/31/75/82/556317582.db2.gz HWXZQDFHVOBCBP-OAHLLOKOSA-N 0 0 449.348 7.023 50 0 IKAARN COc1cc2c(cc1OC)-c1cc(Oc3cc(C)c(Cl)c(C)c3Cl)nc(=O)n1CC2 ZINC000013842526 556317797 /nfs/dbraw/zinc/31/77/97/556317797.db2.gz RBPVPYBNMOZNLK-UHFFFAOYSA-N 0 0 447.318 5.200 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 ZINC000009934562 556318328 /nfs/dbraw/zinc/31/83/28/556318328.db2.gz PJIPKZXVCGDRQM-UHFFFAOYSA-N 0 0 433.231 5.572 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000009968794 556318944 /nfs/dbraw/zinc/31/89/44/556318944.db2.gz JCFLNZVFMNLMEO-UHFFFAOYSA-N 0 0 444.943 7.031 50 0 IKAARN Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(SC3=NCCS3)n2)c(C)c1 ZINC000009971073 556319239 /nfs/dbraw/zinc/31/92/39/556319239.db2.gz MQKZNUMYKCDZRW-UHFFFAOYSA-N 0 0 436.610 5.787 50 0 IKAARN Cc1cccc(N(CCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000013847424 556319427 /nfs/dbraw/zinc/31/94/27/556319427.db2.gz QVTOAWSMZNLQOI-UHFFFAOYSA-N 0 0 449.787 5.140 50 0 IKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C(C)(C)C)C[C@@H](C(C)(C)C)CC2 ZINC000009994999 556320098 /nfs/dbraw/zinc/32/00/98/556320098.db2.gz ADUKXRHDHNQXJK-HNNXBMFYSA-N 0 0 442.625 6.145 50 0 IKAARN CCN1CCc2nc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)sc2C1 ZINC000032753141 556322167 /nfs/dbraw/zinc/32/21/67/556322167.db2.gz QEUVOOMYDHNYAQ-UHFFFAOYSA-N 0 0 436.562 5.157 50 0 IKAARN Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000010010682 556322358 /nfs/dbraw/zinc/32/23/58/556322358.db2.gz ZEUWQMDNCVMSOU-UHFFFAOYSA-N 0 0 425.926 5.282 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)CSc4ccc(Cl)cc4)c3)nn12 ZINC000010035074 556322733 /nfs/dbraw/zinc/32/27/33/556322733.db2.gz NATXITISJJVTFZ-UHFFFAOYSA-N 0 0 443.985 5.108 50 0 IKAARN Cc1cc2occ(CC(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C(C)C ZINC000032753855 556323120 /nfs/dbraw/zinc/32/31/20/556323120.db2.gz SRMXLRADZZXZNG-KRWDZBQOSA-N 0 0 427.566 5.030 50 0 IKAARN Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000032754126 556323452 /nfs/dbraw/zinc/32/34/52/556323452.db2.gz OCLLONJAWHHPGH-OZXSUGGESA-N 0 0 426.560 5.364 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)co2)c(C)c1 ZINC000032754340 556323508 /nfs/dbraw/zinc/32/35/08/556323508.db2.gz JREMJHHYXBWUAZ-SANMLTNESA-N 0 0 425.488 5.079 50 0 IKAARN Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000032754125 556323511 /nfs/dbraw/zinc/32/35/11/556323511.db2.gz OCLLONJAWHHPGH-ZEQKJWHPSA-N 0 0 426.560 5.364 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 ZINC000010059509 556324128 /nfs/dbraw/zinc/32/41/28/556324128.db2.gz SDWASBTYIVOTNQ-UHFFFAOYSA-N 0 0 436.924 5.019 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1 ZINC000010059751 556324384 /nfs/dbraw/zinc/32/43/84/556324384.db2.gz JWKHCRXVCVIFLM-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000010060062 556324434 /nfs/dbraw/zinc/32/44/34/556324434.db2.gz UHLNMROKNNIHIL-UHFFFAOYSA-N 0 0 432.520 5.906 50 0 IKAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000010060179 556324455 /nfs/dbraw/zinc/32/44/55/556324455.db2.gz QPBADGMFHNMSAE-QHCPKHFHSA-N 0 0 428.467 5.112 50 0 IKAARN CCOc1ccc(N=C2S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000004470755 556324470 /nfs/dbraw/zinc/32/44/70/556324470.db2.gz KNLCQTIEBLYWRY-OFYGDPCRSA-N 0 0 445.588 6.503 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1)c1ccccc1 ZINC000010076234 556324932 /nfs/dbraw/zinc/32/49/32/556324932.db2.gz YDITXOTYOCVVNF-UHFFFAOYSA-N 0 0 449.510 5.121 50 0 IKAARN CCc1ccc(-c2cnc(Nc3nc(C)cc(C)n3)n2-c2ccccc2Br)cc1 ZINC000010075606 556325067 /nfs/dbraw/zinc/32/50/67/556325067.db2.gz XFCOBKSYKCAIDU-UHFFFAOYSA-N 0 0 448.368 6.015 50 0 IKAARN Cc1ccc2nc(-c3cccc(NC(=O)Cc4ccc(Br)cc4)c3)sc2c1 ZINC000010109665 556325344 /nfs/dbraw/zinc/32/53/44/556325344.db2.gz GZMZMHSCAIAIOJ-UHFFFAOYSA-N 0 0 437.362 6.215 50 0 IKAARN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000013880043 556325311 /nfs/dbraw/zinc/32/53/11/556325311.db2.gz YEUUTNVZFKYAEG-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN CN(C(=O)Oc1cc2ccccc2cc1OC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000013880077 556325370 /nfs/dbraw/zinc/32/53/70/556325370.db2.gz YDICPOCJAZPXJO-UHFFFAOYSA-N 0 0 426.472 6.110 50 0 IKAARN O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000013880303 556325727 /nfs/dbraw/zinc/32/57/27/556325727.db2.gz PWTHSASXXYDOPE-BNCCVWRVSA-N 0 0 441.814 5.324 50 0 IKAARN Cc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000010128876 556326481 /nfs/dbraw/zinc/32/64/81/556326481.db2.gz RAGQMKDBDOYAGJ-UHFFFAOYSA-N 0 0 435.932 6.153 50 0 IKAARN CCOc1cc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc(OCC)c1OCC ZINC000010128023 556326541 /nfs/dbraw/zinc/32/65/41/556326541.db2.gz YICGVXBFIAQKFA-UHFFFAOYSA-N 0 0 434.945 5.707 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cc2ccccc2o1 ZINC000010174766 556327541 /nfs/dbraw/zinc/32/75/41/556327541.db2.gz LXIMEZMEFWOFTK-UHFFFAOYSA-N 0 0 428.464 5.281 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013893895 556328241 /nfs/dbraw/zinc/32/82/41/556328241.db2.gz BNDGNSIWSRIWOA-BKUYFWCQSA-N 0 0 433.891 5.581 50 0 IKAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)s2)cc1 ZINC000013893857 556328247 /nfs/dbraw/zinc/32/82/47/556328247.db2.gz YAKSIFNPNLERPX-UHFFFAOYSA-N 0 0 446.575 7.705 50 0 IKAARN O=C1c2ccccc2[C@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccc2c(c1)OCO2 ZINC000013894602 556328356 /nfs/dbraw/zinc/32/83/56/556328356.db2.gz WAZUNAAXYFEUQU-OAQYLSRUSA-N 0 0 426.394 5.201 50 0 IKAARN O=C(Oc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1)c1ccc(Cl)cc1 ZINC000013895596 556328861 /nfs/dbraw/zinc/32/88/61/556328861.db2.gz HHACBMUKOGJHEK-NDENLUEZSA-N 0 0 438.266 5.557 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)cc1 ZINC000013895449 556328866 /nfs/dbraw/zinc/32/88/66/556328866.db2.gz PZUIEUIZUMYDAH-LJAQVGFWSA-N 0 0 441.571 5.424 50 0 IKAARN CCN(CC)[C@@H](c1nnnn1-c1c(C)cccc1C)c1cc(Cl)cc(Cl)c1OC ZINC000013895412 556328916 /nfs/dbraw/zinc/32/89/16/556328916.db2.gz PMVCWFOFGFMVDG-LJQANCHMSA-N 0 0 434.371 5.026 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(F)cc1 ZINC000013895584 556328958 /nfs/dbraw/zinc/32/89/58/556328958.db2.gz DUKSCQNDKAEOHH-MTJSOVHGSA-N 0 0 435.426 5.287 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4Cl)c3)oc2c1 ZINC000013895969 556329276 /nfs/dbraw/zinc/32/92/76/556329276.db2.gz ZXMFKJDRPSTWLX-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN Cc1cc(I)ccc1NC(=O)CSCc1c(F)cccc1Cl ZINC000013896744 556329850 /nfs/dbraw/zinc/32/98/50/556329850.db2.gz VWGWSDOMEHNSAQ-UHFFFAOYSA-N 0 0 449.716 5.264 50 0 IKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000013898193 556330212 /nfs/dbraw/zinc/33/02/12/556330212.db2.gz MPNWOGJRILFQQT-PNHLSOANSA-N 0 0 434.879 5.588 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OCCCCCCOC(=O)Nc1ccc(Cl)cc1 ZINC000013898333 556330496 /nfs/dbraw/zinc/33/04/96/556330496.db2.gz IWIOHMQXFDIHKR-UHFFFAOYSA-N 0 0 425.312 6.351 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000013930680 556334450 /nfs/dbraw/zinc/33/44/50/556334450.db2.gz LCTPUUBNOYDLLZ-MYYYXRDXSA-N 0 0 439.898 6.417 50 0 IKAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000013936075 556335905 /nfs/dbraw/zinc/33/59/05/556335905.db2.gz TUUIYFXLOHQKJC-UHFFFAOYSA-N 0 0 431.970 5.258 50 0 IKAARN CCc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013936088 556335971 /nfs/dbraw/zinc/33/59/71/556335971.db2.gz AKQJBSKANSTMCD-UHFFFAOYSA-N 0 0 445.997 5.512 50 0 IKAARN Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000013936242 556336080 /nfs/dbraw/zinc/33/60/80/556336080.db2.gz KIDKAHPTUBEQOG-UHFFFAOYSA-N 0 0 425.579 5.222 50 0 IKAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c1 ZINC000013936288 556336222 /nfs/dbraw/zinc/33/62/22/556336222.db2.gz CNQJKIDJHVDCNV-UHFFFAOYSA-N 0 0 439.606 5.530 50 0 IKAARN CCn1cc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)c2ccccc21 ZINC000010559426 556336964 /nfs/dbraw/zinc/33/69/64/556336964.db2.gz JVHAASFIVDKJSZ-UHFFFAOYSA-N 0 0 444.560 6.222 50 0 IKAARN COc1cc(C(C)(C)C)c(OCC(=O)N(c2ccccc2)c2ccccc2)cc1C(C)(C)C ZINC000013939916 556337364 /nfs/dbraw/zinc/33/73/64/556337364.db2.gz MCZCRARPRWCPBV-UHFFFAOYSA-N 0 0 445.603 7.034 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000013940246 556337645 /nfs/dbraw/zinc/33/76/45/556337645.db2.gz XHMAVDINNUVQLS-UHFFFAOYSA-N 0 0 426.900 5.635 50 0 IKAARN CCN(C(=O)c1ccccn1)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCCC1 ZINC000013940626 556337940 /nfs/dbraw/zinc/33/79/40/556337940.db2.gz RJQYUOUKAWDHAM-UHFFFAOYSA-N 0 0 441.575 5.152 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000013940383 556337999 /nfs/dbraw/zinc/33/79/99/556337999.db2.gz USYJKVNHOFDTJT-HBSZIVNGSA-N 0 0 426.947 6.777 50 0 IKAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc(C)c1 ZINC000013942143 556339243 /nfs/dbraw/zinc/33/92/43/556339243.db2.gz NIZZKKVTARVIJT-UHFFFAOYSA-N 0 0 432.545 5.426 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1c1ccccc1 ZINC000013942375 556339265 /nfs/dbraw/zinc/33/92/65/556339265.db2.gz HCRVNLGCAGIHPX-HHHXNRCGSA-N 0 0 434.926 7.238 50 0 IKAARN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(C)s2)[C@@H]1c1ccccc1 ZINC000013942513 556339749 /nfs/dbraw/zinc/33/97/49/556339749.db2.gz QTGCSJQAILOSIR-HXUWFJFHSA-N 0 0 435.578 5.065 50 0 IKAARN CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccc(F)cc1 ZINC000013942461 556339785 /nfs/dbraw/zinc/33/97/85/556339785.db2.gz NOBYPPMMENNGFJ-HHHXNRCGSA-N 0 0 426.535 6.576 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc(OCC)c1OCC ZINC000011197642 556339893 /nfs/dbraw/zinc/33/98/93/556339893.db2.gz PDYRZYAJGRDBKI-UHFFFAOYSA-N 0 0 445.519 5.450 50 0 IKAARN CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1 ZINC000013943025 556340378 /nfs/dbraw/zinc/34/03/78/556340378.db2.gz MXTOZMICWYENAR-DEOSSOPVSA-N 0 0 432.549 5.251 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000013945764 556342608 /nfs/dbraw/zinc/34/26/08/556342608.db2.gz JQBGBJTVBVIAKU-BCHFMIIMSA-N 0 0 431.580 5.436 50 0 IKAARN CCCC[C@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000013945763 556342673 /nfs/dbraw/zinc/34/26/73/556342673.db2.gz JQBGBJTVBVIAKU-AFMDSPMNSA-N 0 0 431.580 5.436 50 0 IKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000013945519 556342756 /nfs/dbraw/zinc/34/27/56/556342756.db2.gz QBUTYSHJSDLSPW-UHFFFAOYSA-N 0 0 442.371 6.409 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000013946052 556343032 /nfs/dbraw/zinc/34/30/32/556343032.db2.gz HYNOLYLBXTWRFF-UHFFFAOYSA-N 0 0 436.964 6.721 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000013946065 556343055 /nfs/dbraw/zinc/34/30/55/556343055.db2.gz YJTOGHIKLZIYGY-UHFFFAOYSA-N 0 0 429.328 6.288 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000013946107 556343414 /nfs/dbraw/zinc/34/34/14/556343414.db2.gz HUFCYDVUYJESNL-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 ZINC000013946118 556343424 /nfs/dbraw/zinc/34/34/24/556343424.db2.gz CMWCQIBIGGVVKI-UHFFFAOYSA-N 0 0 426.907 6.096 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013952236 556344172 /nfs/dbraw/zinc/34/41/72/556344172.db2.gz VIBKGPKZVWQFHK-UHFFFAOYSA-N 0 0 437.543 5.197 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 ZINC000013954893 556344472 /nfs/dbraw/zinc/34/44/72/556344472.db2.gz AQUWUEBRRFIJSY-IBGZPJMESA-N 0 0 428.532 6.643 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000013954925 556344506 /nfs/dbraw/zinc/34/45/06/556344506.db2.gz ZQHBGNXWJIXYOS-UHFFFAOYSA-N 0 0 436.964 7.048 50 0 IKAARN Cc1nc2sccn2c1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1C ZINC000011663932 556344886 /nfs/dbraw/zinc/34/48/86/556344886.db2.gz OMFALECCUUOHAS-QHCPKHFHSA-N 0 0 426.545 5.282 50 0 IKAARN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000013955139 556344918 /nfs/dbraw/zinc/34/49/18/556344918.db2.gz NPHFHNQVSPVRGE-AWEZNQCLSA-N 0 0 436.309 5.398 50 0 IKAARN CN(Cc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1)C(=O)c1ccco1 ZINC000011667152 556346052 /nfs/dbraw/zinc/34/60/52/556346052.db2.gz ZLFPXDBBLAGZOZ-UHFFFAOYSA-N 0 0 431.536 5.278 50 0 IKAARN O=C(Nc1ccccn1)c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F ZINC000013959331 556346353 /nfs/dbraw/zinc/34/63/53/556346353.db2.gz KSNOYPOWOIEGBP-UHFFFAOYSA-N 0 0 433.393 5.216 50 0 IKAARN Cc1ccc(/C=C2/N=C(SCC(=O)Nc3ccc(C)cc3C)N(CC(C)C)C2=O)s1 ZINC000013959497 556346420 /nfs/dbraw/zinc/34/64/20/556346420.db2.gz MTJGDOUMZXTWQW-RGVLZGJSSA-N 0 0 441.622 5.240 50 0 IKAARN FC(F)c1cc(-c2ccccc2)nc2c(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)cnn21 ZINC000013959774 556346655 /nfs/dbraw/zinc/34/66/55/556346655.db2.gz FSWNLLAVPWUGGD-UHFFFAOYSA-N 0 0 447.489 5.852 50 0 IKAARN CCOC(=O)c1sc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(C(=O)OCC)c1C ZINC000013959779 556346698 /nfs/dbraw/zinc/34/66/98/556346698.db2.gz HHCBCWOLTOIXIS-DENWDJDJSA-N 0 0 447.597 5.345 50 0 IKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000013960714 556347921 /nfs/dbraw/zinc/34/79/21/556347921.db2.gz GUTVMTFIHQUQLN-UHFFFAOYSA-N 0 0 449.913 7.261 50 0 IKAARN CCOC(=O)CCn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccc(F)cc1 ZINC000013960687 556347987 /nfs/dbraw/zinc/34/79/87/556347987.db2.gz DJNPWOIZGVXIBB-UHFFFAOYSA-N 0 0 435.268 5.211 50 0 IKAARN COc1cccc(-c2nn(Cc3ccccc3)c(-c3cccc(OC)c3)c2Br)c1 ZINC000013960501 556348033 /nfs/dbraw/zinc/34/80/33/556348033.db2.gz BDQIROGOHCQLAU-UHFFFAOYSA-N 0 0 449.348 6.045 50 0 IKAARN Cc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960524 556348050 /nfs/dbraw/zinc/34/80/50/556348050.db2.gz VRQRHAQFPLVKJV-UHFFFAOYSA-N 0 0 425.334 7.328 50 0 IKAARN Clc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)n(Cc3ccccc3)n2)cc1Cl ZINC000013960754 556348312 /nfs/dbraw/zinc/34/83/12/556348312.db2.gz AFPBGAOCFGUGPR-UHFFFAOYSA-N 0 0 448.180 7.879 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2ccc(Cl)cc2Cl)c1-c1ccc(C)c(C)c1 ZINC000013960741 556348368 /nfs/dbraw/zinc/34/83/68/556348368.db2.gz FKYDSZFGVUIBBH-UHFFFAOYSA-N 0 0 449.425 8.114 50 0 IKAARN O=C(c1ccccc1-c1ncc[nH]1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000011753992 556348816 /nfs/dbraw/zinc/34/88/16/556348816.db2.gz VULYHADMXLXPDI-VWLOTQADSA-N 0 0 436.490 5.485 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)ccc1OC)[C@H]3c1ccccc1 ZINC000013961582 556349275 /nfs/dbraw/zinc/34/92/75/556349275.db2.gz LPVUUIGFGYKBCW-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCCC1)[C@H]3c1cccc(OC)c1 ZINC000013961567 556349421 /nfs/dbraw/zinc/34/94/21/556349421.db2.gz NSRONLQZIPRUBN-VWLOTQADSA-N 0 0 433.552 5.175 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032781530 556349546 /nfs/dbraw/zinc/34/95/46/556349546.db2.gz VDZORJAONYHYQF-YKSBVNFPSA-N 0 0 434.586 5.248 50 0 IKAARN Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000011773858 556350737 /nfs/dbraw/zinc/35/07/37/556350737.db2.gz QTDAJFSMWHQWGG-HXUWFJFHSA-N 0 0 443.572 5.696 50 0 IKAARN O=C(Cc1cc(Cl)cc2c1OCOC2)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000032779037 556352129 /nfs/dbraw/zinc/35/21/29/556352129.db2.gz JXPXNSYMIBZLLU-QFIPXVFZSA-N 0 0 428.315 5.308 50 0 IKAARN CCc1sc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)nc1-c1ccccc1 ZINC000014008945 556353800 /nfs/dbraw/zinc/35/38/00/556353800.db2.gz XNXKEYLCUZYBKG-UHFFFAOYSA-N 0 0 427.529 5.877 50 0 IKAARN O=C(COc1ccc2ccccc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014009292 556354123 /nfs/dbraw/zinc/35/41/23/556354123.db2.gz IYMUSRQISKIQFR-UHFFFAOYSA-N 0 0 436.555 5.152 50 0 IKAARN O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccccc1 ZINC000014009181 556354225 /nfs/dbraw/zinc/35/42/25/556354225.db2.gz CUVILVOAEBKWTM-PDGQHHTCSA-N 0 0 426.950 5.646 50 0 IKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3n[nH]c([C@@H]4CCCO4)n3)cc2)c1 ZINC000014018908 556356276 /nfs/dbraw/zinc/35/62/76/556356276.db2.gz UNLMIJVCVZFQLO-SFHVURJKSA-N 0 0 440.594 5.155 50 0 IKAARN Cc1sc2[nH]c(CSc3nnc(-c4ccco4)n3C3CCCCC3)nc(=O)c2c1C ZINC000014023048 556357530 /nfs/dbraw/zinc/35/75/30/556357530.db2.gz CCVQKRUQXKYHDX-UHFFFAOYSA-N 0 0 441.582 5.250 50 0 IKAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC=C(c2ccccc2)CC1 ZINC000014068570 556359999 /nfs/dbraw/zinc/35/99/99/556359999.db2.gz LPTLVNWBHJSJRA-UHFFFAOYSA-N 0 0 430.573 5.181 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1C ZINC000014069430 556360378 /nfs/dbraw/zinc/36/03/78/556360378.db2.gz QVDURZQEYCDECN-LJQANCHMSA-N 0 0 442.588 5.427 50 0 IKAARN COc1ccc2[nH]c(CCN(C)C(=O)c3ccc4nc(C5CCCCC5)oc4c3)nc2c1 ZINC000011818685 556360391 /nfs/dbraw/zinc/36/03/91/556360391.db2.gz RAQOYHGRRGAOHD-UHFFFAOYSA-N 0 0 432.524 5.075 50 0 IKAARN Cn1cc(CN2CCCN(C(=O)c3ccco3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011817976 556360527 /nfs/dbraw/zinc/36/05/27/556360527.db2.gz ZJJLWCHSSIXXJP-UHFFFAOYSA-N 0 0 446.595 5.076 50 0 IKAARN C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)c(F)c1 ZINC000014072423 556361037 /nfs/dbraw/zinc/36/10/37/556361037.db2.gz LKHSTSHWRQRYRX-KRWDZBQOSA-N 0 0 432.470 6.097 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@H]2CCCC[C@H]2C)c1 ZINC000014075399 556361377 /nfs/dbraw/zinc/36/13/77/556361377.db2.gz AKOCAXHHNBGBCQ-WBVHZDCISA-N 0 0 446.041 6.695 50 0 IKAARN CC(C)N(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1nccn1C ZINC000011819599 556361539 /nfs/dbraw/zinc/36/15/39/556361539.db2.gz VTUDDDNJMREVMM-UHFFFAOYSA-N 0 0 439.563 5.489 50 0 IKAARN Cc1occc1-c1nnc(SCc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)o1 ZINC000014076481 556362145 /nfs/dbraw/zinc/36/21/45/556362145.db2.gz PWOOAHXPZRAVEN-UHFFFAOYSA-N 0 0 439.924 6.144 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)cc1 ZINC000014084508 556364376 /nfs/dbraw/zinc/36/43/76/556364376.db2.gz NJJMJZYWTWMDQM-UHFFFAOYSA-N 0 0 427.504 5.390 50 0 IKAARN O=C(NCCCSc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000014085800 556364709 /nfs/dbraw/zinc/36/47/09/556364709.db2.gz NKHSTWVWALLKQZ-UHFFFAOYSA-N 0 0 446.551 5.045 50 0 IKAARN COc1ccc(-c2nc(C(=O)N3CCSc4ccc(Cl)cc43)cs2)cc1OC ZINC000032801981 556364937 /nfs/dbraw/zinc/36/49/37/556364937.db2.gz LYGQOOBJBHUGHQ-UHFFFAOYSA-N 0 0 432.954 5.233 50 0 IKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000014095875 556367719 /nfs/dbraw/zinc/36/77/19/556367719.db2.gz YPJCWMPUTKHGGK-UHFFFAOYSA-N 0 0 434.561 5.539 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)c1ccccc1 ZINC000011866696 556368221 /nfs/dbraw/zinc/36/82/21/556368221.db2.gz GNBLUPCUPIMLBR-SANMLTNESA-N 0 0 444.914 6.328 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3ccccc3Cl)C2)c(C)c1 ZINC000011873368 556369893 /nfs/dbraw/zinc/36/98/93/556369893.db2.gz VDJRZKIUGKEDSP-LJQANCHMSA-N 0 0 442.987 5.247 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014115678 556370931 /nfs/dbraw/zinc/37/09/31/556370931.db2.gz POYKKMSIHFSCOP-SNVBAGLBSA-N 0 0 441.607 5.370 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)Cc1ccc(-n2cccn2)cc1 ZINC000011879978 556372261 /nfs/dbraw/zinc/37/22/61/556372261.db2.gz XSPFUPZJZCVFMK-UHFFFAOYSA-N 0 0 426.442 5.487 50 0 IKAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21)c1ccco1 ZINC000014123340 556372547 /nfs/dbraw/zinc/37/25/47/556372547.db2.gz AGLJKCHLSWVRAZ-CQSZACIVSA-N 0 0 426.567 5.018 50 0 IKAARN C[C@H](Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21)c1ccco1 ZINC000014123343 556372628 /nfs/dbraw/zinc/37/26/28/556372628.db2.gz AGLJKCHLSWVRAZ-AWEZNQCLSA-N 0 0 426.567 5.018 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC[C@@H]3c3cccn3C)nc21 ZINC000014129519 556374585 /nfs/dbraw/zinc/37/45/85/556374585.db2.gz GWSWFZFLHGCHMV-JOCHJYFZSA-N 0 0 444.604 5.314 50 0 IKAARN CC(=O)N1CCC(Nc2nc(CSc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000014135645 556375166 /nfs/dbraw/zinc/37/51/66/556375166.db2.gz ZYNFRFVUEZPSPG-UHFFFAOYSA-N 0 0 426.611 5.023 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(Cl)cc1Cl ZINC000014136309 556375229 /nfs/dbraw/zinc/37/52/29/556375229.db2.gz HPIKOGSNXATMIU-UHFFFAOYSA-N 0 0 428.406 5.557 50 0 IKAARN CCn1cc(-c2nnc(SCc3ccc(Br)cc3)n2CC)c2ccccc21 ZINC000014136898 556375464 /nfs/dbraw/zinc/37/54/64/556375464.db2.gz PUEHPLOLWOAGRU-UHFFFAOYSA-N 0 0 441.398 5.994 50 0 IKAARN CCOC(=O)Cc1csc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000014138370 556375891 /nfs/dbraw/zinc/37/58/91/556375891.db2.gz VZTFSYOJUKOYFB-OAQYLSRUSA-N 0 0 440.590 5.338 50 0 IKAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)[C@@H]1CCOC(C)(C)C1)C2 ZINC000011913297 556375912 /nfs/dbraw/zinc/37/59/12/556375912.db2.gz UIELHFRKHGVJDI-FYYLOGMGSA-N 0 0 444.575 5.144 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)no1 ZINC000014141805 556376853 /nfs/dbraw/zinc/37/68/53/556376853.db2.gz OVTOJRREPPKLAM-QGZVFWFLSA-N 0 0 449.601 5.905 50 0 IKAARN COc1ccc(-n2cc(CN[C@@H](C)c3csc(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000011934563 556377474 /nfs/dbraw/zinc/37/74/74/556377474.db2.gz GERSQPYVLHQNQE-HNNXBMFYSA-N 0 0 438.984 5.817 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 ZINC000014154933 556377557 /nfs/dbraw/zinc/37/75/57/556377557.db2.gz WAPQRKAWNDPTMH-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000014152824 556377620 /nfs/dbraw/zinc/37/76/20/556377620.db2.gz DKKHGYKQIXKKAL-UHFFFAOYSA-N 0 0 437.874 5.855 50 0 IKAARN Cc1cc2c3c(c1)C(C)(C)CC1(CCCCCC1)N3C(=O)[C@]21Nc2ccccc2C(=O)N1 ZINC000014162470 556379043 /nfs/dbraw/zinc/37/90/43/556379043.db2.gz YENBZWPEFDLKBM-MHZLTWQESA-N 0 0 429.564 5.124 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(Cl)cc2C)cc1 ZINC000014166263 556379738 /nfs/dbraw/zinc/37/97/38/556379738.db2.gz NVNPFGHCVMPOQQ-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1csc(SCC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)n1 ZINC000011945006 556379856 /nfs/dbraw/zinc/37/98/56/556379856.db2.gz NGGPAXCNIIFRIX-QFIPXVFZSA-N 0 0 437.565 5.338 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3sccc3-c3ccccc3)n2)cc1 ZINC000014168333 556380593 /nfs/dbraw/zinc/38/05/93/556380593.db2.gz OXJGEMFNYLIBKJ-UHFFFAOYSA-N 0 0 433.558 5.427 50 0 IKAARN CCc1ccc(CC)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 ZINC000014170399 556381326 /nfs/dbraw/zinc/38/13/26/556381326.db2.gz JEQHHMITZXHUDQ-UHFFFAOYSA-N 0 0 432.549 5.081 50 0 IKAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1=CCCCC1)c1ccccc1Cl ZINC000014171423 556381869 /nfs/dbraw/zinc/38/18/69/556381869.db2.gz NPTQRLQFJHKDFX-XMMPIXPASA-N 0 0 449.982 5.169 50 0 IKAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000014182727 556382780 /nfs/dbraw/zinc/38/27/80/556382780.db2.gz BNAOWDHXAMYCAE-NRFANRHFSA-N 0 0 432.520 5.992 50 0 IKAARN Cc1nc(Cc2nn(CN3CCc4sccc4[C@@H]3c3cccs3)c(=S)o2)cs1 ZINC000014181831 556382807 /nfs/dbraw/zinc/38/28/07/556382807.db2.gz ASPBYHZZWMTMMA-GOSISDBHSA-N 0 0 446.648 5.290 50 0 IKAARN CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)Cc1coc2cc(OC)ccc12 ZINC000014182275 556382831 /nfs/dbraw/zinc/38/28/31/556382831.db2.gz OOOLOMSOYFFYRP-UHFFFAOYSA-N 0 0 425.525 5.220 50 0 IKAARN Cc1nc(Cc2nn(CN3CCc4sccc4[C@H]3c3cccs3)c(=S)o2)cs1 ZINC000014181833 556382929 /nfs/dbraw/zinc/38/29/29/556382929.db2.gz ASPBYHZZWMTMMA-SFHVURJKSA-N 0 0 446.648 5.290 50 0 IKAARN CCn1c(=S)n(CN2CCc3sccc3[C@H]2c2cccs2)nc1-c1ccco1 ZINC000014183189 556383457 /nfs/dbraw/zinc/38/34/57/556383457.db2.gz XDMGPWSJBYDFBP-SFHVURJKSA-N 0 0 428.608 5.422 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014183872 556383720 /nfs/dbraw/zinc/38/37/20/556383720.db2.gz OZSIQTBXDJKIEO-UHFFFAOYSA-N 0 0 431.542 5.650 50 0 IKAARN Cc1cccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)c1 ZINC000014184864 556384762 /nfs/dbraw/zinc/38/47/62/556384762.db2.gz MATUUYHVXUWRNE-GOSISDBHSA-N 0 0 441.940 5.012 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(-c3cccs3)on1)CC2 ZINC000014184943 556385196 /nfs/dbraw/zinc/38/51/96/556385196.db2.gz PDEGQXCHTCVOJV-QHCPKHFHSA-N 0 0 438.574 5.630 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c(OC)c1C ZINC000012021265 556386805 /nfs/dbraw/zinc/38/68/05/556386805.db2.gz RDDDEKDCCLFIBP-OAQYLSRUSA-N 0 0 436.552 5.157 50 0 IKAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)CCC(=O)c4ccc(F)cc4)C3)ccc2c1 ZINC000012022551 556387035 /nfs/dbraw/zinc/38/70/35/556387035.db2.gz RPQAQTCHAWVACZ-JOCHJYFZSA-N 0 0 447.506 5.072 50 0 IKAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000014190131 556387610 /nfs/dbraw/zinc/38/76/10/556387610.db2.gz QFOKWNFPGDORDP-NRFANRHFSA-N 0 0 448.979 5.652 50 0 IKAARN O=C(CSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCCC1 ZINC000014198209 556389374 /nfs/dbraw/zinc/38/93/74/556389374.db2.gz XRHMMUYXZWUCAL-UHFFFAOYSA-N 0 0 446.572 5.232 50 0 IKAARN Cc1nc(NCc2ccc3c(c2)CCO3)sc1-c1ccn(CCCc2cccc(C)n2)n1 ZINC000012035211 556389410 /nfs/dbraw/zinc/38/94/10/556389410.db2.gz YDAKDWKSEYWIQR-UHFFFAOYSA-N 0 0 445.592 5.198 50 0 IKAARN CCCCc1ccc(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1 ZINC000014198256 556389478 /nfs/dbraw/zinc/38/94/78/556389478.db2.gz GTPUIANWAKATGQ-UHFFFAOYSA-N 0 0 427.595 5.032 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ncnc2sc3c(c21)CCC3 ZINC000014198650 556389908 /nfs/dbraw/zinc/38/99/08/556389908.db2.gz HVTCDPSFHQJBFB-UHFFFAOYSA-N 0 0 426.563 5.103 50 0 IKAARN COc1ccc(-c2nnc([C@H](C)Oc3ccc4cc(Br)ccc4c3)o2)cc1 ZINC000014199742 556390550 /nfs/dbraw/zinc/39/05/50/556390550.db2.gz XFRCSXCAXZIFKJ-ZDUSSCGKSA-N 0 0 425.282 5.801 50 0 IKAARN COc1ccc(-c2nnc([C@@H](C)Oc3ccc4cc(Br)ccc4c3)o2)cc1 ZINC000014199741 556390611 /nfs/dbraw/zinc/39/06/11/556390611.db2.gz XFRCSXCAXZIFKJ-CYBMUJFWSA-N 0 0 425.282 5.801 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc5c(c4)OCCCO5)cc3)o2)cc1 ZINC000014199693 556390615 /nfs/dbraw/zinc/39/06/15/556390615.db2.gz GBPYTEUXWBDHRR-UHFFFAOYSA-N 0 0 427.460 5.126 50 0 IKAARN Cc1cccc([C@H]2CCCN(C(=O)CC[C@@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)C2)c1 ZINC000012040731 556390852 /nfs/dbraw/zinc/39/08/52/556390852.db2.gz YGTNNDKUERAMFF-BKMJKUGQSA-N 0 0 438.999 5.026 50 0 IKAARN Cc1cccc([C@@H]2CCCN(C(=O)CC[C@@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)C2)c1 ZINC000012040723 556390864 /nfs/dbraw/zinc/39/08/64/556390864.db2.gz YGTNNDKUERAMFF-ATIYNZHBSA-N 0 0 438.999 5.026 50 0 IKAARN CCn1c(-c2ccc(OC)cc2)nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c1=S ZINC000014201593 556392047 /nfs/dbraw/zinc/39/20/47/556392047.db2.gz HQSJXJZREZUQLT-HNNXBMFYSA-N 0 0 439.610 5.370 50 0 IKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@@H](OCc2ccccc2)C1 ZINC000012050561 556392096 /nfs/dbraw/zinc/39/20/96/556392096.db2.gz MDFYCPBLXWPZCI-GOSISDBHSA-N 0 0 440.927 5.213 50 0 IKAARN O=C(CCc1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000012052449 556392698 /nfs/dbraw/zinc/39/26/98/556392698.db2.gz SJNSMRYRSDYLCT-MHZLTWQESA-N 0 0 442.490 5.143 50 0 IKAARN CCc1ccc(CN2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)o1 ZINC000012054078 556393217 /nfs/dbraw/zinc/39/32/17/556393217.db2.gz SSIBIJBQEIZAEE-QHCPKHFHSA-N 0 0 439.577 6.112 50 0 IKAARN O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2cccc3nccnc32)C1 ZINC000012055409 556393903 /nfs/dbraw/zinc/39/39/03/556393903.db2.gz DEYMUHAKGITKKU-HXUWFJFHSA-N 0 0 439.490 5.171 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1nnc(SCc2ccncc2)n1C ZINC000012056116 556394103 /nfs/dbraw/zinc/39/41/03/556394103.db2.gz NESITPHVBGPEPU-UHFFFAOYSA-N 0 0 439.972 5.048 50 0 IKAARN CN(C[C@@H](O)c1ccccc1)C(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000012058273 556395000 /nfs/dbraw/zinc/39/50/00/556395000.db2.gz XDQBYEPOWRWBQB-HXUWFJFHSA-N 0 0 440.421 5.319 50 0 IKAARN CCCCC1CCC(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000012062489 556395437 /nfs/dbraw/zinc/39/54/37/556395437.db2.gz PAHRSXSFUWTVSY-JVPYDEADSA-N 0 0 447.685 5.496 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2cc(CC)ccc2o1 ZINC000012062514 556395649 /nfs/dbraw/zinc/39/56/49/556395649.db2.gz RDWYQOIGSQRBGG-UHFFFAOYSA-N 0 0 447.512 5.513 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000012072952 556396076 /nfs/dbraw/zinc/39/60/76/556396076.db2.gz TWVFOBLERYQQQV-UHFFFAOYSA-N 0 0 449.378 5.722 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000014230507 556397328 /nfs/dbraw/zinc/39/73/28/556397328.db2.gz YJVSWPFMALCOQQ-UHFFFAOYSA-N 0 0 439.515 5.282 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2sc(C)nc2C)cc1 ZINC000012075577 556397603 /nfs/dbraw/zinc/39/76/03/556397603.db2.gz GXXFJHJMAQHIQS-JOCHJYFZSA-N 0 0 433.602 5.751 50 0 IKAARN Cc1cccc(NC(=O)Cc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 ZINC000014236528 556399369 /nfs/dbraw/zinc/39/93/69/556399369.db2.gz BOXYVTOWSLQVQZ-UHFFFAOYSA-N 0 0 440.418 5.503 50 0 IKAARN CCSc1nnc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)s1 ZINC000014237620 556399991 /nfs/dbraw/zinc/39/99/91/556399991.db2.gz STSDFZRODXRTTM-UHFFFAOYSA-N 0 0 440.550 5.239 50 0 IKAARN CC(C)c1c(C(=O)Nc2ccc(F)cc2Cl)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000032815137 556401173 /nfs/dbraw/zinc/40/11/73/556401173.db2.gz AWJVELMHNFCUCK-UHFFFAOYSA-N 0 0 426.801 5.454 50 0 IKAARN S=c1n(CN2CCc3sccc3[C@@H]2c2ccccc2)nc(-c2ccncc2)n1C1CC1 ZINC000014241315 556401730 /nfs/dbraw/zinc/40/17/30/556401730.db2.gz WOXOHISIKMRZLQ-QFIPXVFZSA-N 0 0 445.617 5.478 50 0 IKAARN CSc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 ZINC000032578482 556405135 /nfs/dbraw/zinc/40/51/35/556405135.db2.gz CNBYLPGQGATPAD-UHFFFAOYSA-N 0 0 431.517 5.451 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 ZINC000032578862 556405741 /nfs/dbraw/zinc/40/57/41/556405741.db2.gz AVTLJFXXDFKHTN-UHFFFAOYSA-N 0 0 449.894 5.538 50 0 IKAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000014246355 556406266 /nfs/dbraw/zinc/40/62/66/556406266.db2.gz GRVNMVMDBBWERF-IBGZPJMESA-N 0 0 426.607 5.046 50 0 IKAARN CC(C)c1noc(-c2ccc(OCC(=O)N(Cc3ccco3)Cc3ccccc3)cc2)n1 ZINC000032579154 556406303 /nfs/dbraw/zinc/40/63/03/556406303.db2.gz FXFWAHOYWYITIK-UHFFFAOYSA-N 0 0 431.492 5.061 50 0 IKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccccc3Cl)n2)cc1 ZINC000032579135 556406340 /nfs/dbraw/zinc/40/63/40/556406340.db2.gz LVPXBHUSOILLCS-UHFFFAOYSA-N 0 0 433.895 5.207 50 0 IKAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000014246961 556406835 /nfs/dbraw/zinc/40/68/35/556406835.db2.gz CYSIYTKUGWFULB-QHCPKHFHSA-N 0 0 439.581 5.643 50 0 IKAARN CCc1ccc([C@@H]2c3c([nH]nc3-c3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000032593541 556406959 /nfs/dbraw/zinc/40/69/59/556406959.db2.gz PFXBSSOGGTXTSX-HHHXNRCGSA-N 0 0 437.543 5.436 50 0 IKAARN Cc1ccc(Sc2ccc(CN(Cc3ccco3)C(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000032593316 556407000 /nfs/dbraw/zinc/40/70/00/556407000.db2.gz MFCVHKHMUUYZGI-UHFFFAOYSA-N 0 0 437.948 6.828 50 0 IKAARN Cc1cc2oc(C(=O)Nc3nc(SCc4ccccc4)ns3)cc(=O)c2cc1Cl ZINC000032593798 556407214 /nfs/dbraw/zinc/40/72/14/556407214.db2.gz VIJIDJFSYWJLOV-UHFFFAOYSA-N 0 0 443.937 5.151 50 0 IKAARN Cc1cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl ZINC000032594062 556407538 /nfs/dbraw/zinc/40/75/38/556407538.db2.gz MZXIZSNFTNMOQE-HNNXBMFYSA-N 0 0 425.916 5.292 50 0 IKAARN COc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2ccccc2)cc1OC ZINC000004345402 556408066 /nfs/dbraw/zinc/40/80/66/556408066.db2.gz NJGGJJUQKWRGCE-UHFFFAOYSA-N 0 0 431.576 5.886 50 0 biogenic IKAARN CCCc1ccc(-c2nc(NC(=O)c3ccc(Cn4ccccc4=O)o3)sc2C)cc1 ZINC000014252925 556409874 /nfs/dbraw/zinc/40/98/74/556409874.db2.gz WFPZIUPVEAZKOM-UHFFFAOYSA-N 0 0 433.533 5.126 50 0 IKAARN COc1ccccc1OCC(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032623212 556410460 /nfs/dbraw/zinc/41/04/60/556410460.db2.gz NXCSVOVOMIOKCJ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032623607 556410650 /nfs/dbraw/zinc/41/06/50/556410650.db2.gz RTQNVOUROLUNMA-HNNXBMFYSA-N 0 0 449.894 5.472 50 0 IKAARN CCCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)c2cccnc12 ZINC000032623687 556410719 /nfs/dbraw/zinc/41/07/19/556410719.db2.gz GOJQVFGSYCEURF-UHFFFAOYSA-N 0 0 439.309 6.093 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4Cl)cc3)n2)cc1 ZINC000032623862 556410947 /nfs/dbraw/zinc/41/09/47/556410947.db2.gz MJUSPIVFNKKNIE-HNNXBMFYSA-N 0 0 449.894 5.472 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H](C)Oc4ccccc4Cl)cc3)n2)cc1 ZINC000032623859 556410972 /nfs/dbraw/zinc/41/09/72/556410972.db2.gz MJUSPIVFNKKNIE-OAHLLOKOSA-N 0 0 449.894 5.472 50 0 IKAARN COc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000032623747 556410985 /nfs/dbraw/zinc/41/09/85/556410985.db2.gz RHGQSMLFCVQNTP-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000032623855 556410987 /nfs/dbraw/zinc/41/09/87/556410987.db2.gz YJTRJRDSTXCWNG-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3O)oc2c1 ZINC000014270159 556411133 /nfs/dbraw/zinc/41/11/33/556411133.db2.gz HUHQNZJDAREIPA-UHFFFAOYSA-N 0 0 443.484 5.382 50 0 IKAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cc(-c4cccs4)on3)n2)s1 ZINC000032624732 556411413 /nfs/dbraw/zinc/41/14/13/556411413.db2.gz ASPNVKFFCDMPJE-UHFFFAOYSA-N 0 0 434.502 5.742 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2NC(=O)c2ccco2)cc1 ZINC000032624643 556411452 /nfs/dbraw/zinc/41/14/52/556411452.db2.gz KXPJIQGMFMIMSO-UHFFFAOYSA-N 0 0 437.908 5.870 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N(C[C@H]3CCOC3)c3ccccc3)c2oc1-c1ccccc1 ZINC000032827485 556411493 /nfs/dbraw/zinc/41/14/93/556411493.db2.gz AEHUVVADUWZMQW-HXUWFJFHSA-N 0 0 439.511 5.452 50 0 IKAARN CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)(c2ccccc2)CC1 ZINC000032827388 556411496 /nfs/dbraw/zinc/41/14/96/556411496.db2.gz WVOHSTAFXUXWCF-UHFFFAOYSA-N 0 0 448.950 5.651 50 0 IKAARN CCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)c2cccnc12 ZINC000032624747 556411497 /nfs/dbraw/zinc/41/14/97/556411497.db2.gz BXQGXGWFBUXWGG-UHFFFAOYSA-N 0 0 443.286 5.689 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 ZINC000012847267 556412805 /nfs/dbraw/zinc/41/28/05/556412805.db2.gz KBBWNUBRZHPWHK-ROUUACIJSA-N 0 0 434.849 5.758 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000004385061 556413367 /nfs/dbraw/zinc/41/33/67/556413367.db2.gz PFOYFRGRENSNPB-OAQYLSRUSA-N 0 0 425.532 5.312 50 0 IKAARN O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000014357018 556413899 /nfs/dbraw/zinc/41/38/99/556413899.db2.gz PXQJSGZKYWCWAZ-UHFFFAOYSA-N 0 0 437.586 5.967 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000014357016 556413901 /nfs/dbraw/zinc/41/39/01/556413901.db2.gz UFODHQSQKOAUNZ-UHFFFAOYSA-N 0 0 440.543 5.482 50 0 IKAARN Cc1c(-c2nnc3n2CCCCC3)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000014358524 556414121 /nfs/dbraw/zinc/41/41/21/556414121.db2.gz KDAROKQYVRIICO-UHFFFAOYSA-N 0 0 434.512 6.337 50 0 IKAARN Cc1ccc(-c2cc(NC(=O)CSc3nc4ccccc4[nH]3)n(-c3ccccc3)n2)cc1 ZINC000014360192 556414401 /nfs/dbraw/zinc/41/44/01/556414401.db2.gz YGRVQYUNSOXJRV-UHFFFAOYSA-N 0 0 439.544 5.455 50 0 IKAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2Cc2ccccc2Cl)n1 ZINC000014360437 556414405 /nfs/dbraw/zinc/41/44/05/556414405.db2.gz BIIAMSQQTYQANB-UHFFFAOYSA-N 0 0 447.951 5.546 50 0 IKAARN Cc1nc2cc(NC(=O)c3ccc(-c4nc5sc(C)c(C)c5c(N)n4)cc3)ccc2o1 ZINC000014367360 556414837 /nfs/dbraw/zinc/41/48/37/556414837.db2.gz LSBZOFMBIDWFAP-UHFFFAOYSA-N 0 0 429.505 5.259 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c3ccccc3)C1)oc1ccccc12 ZINC000032675813 556416029 /nfs/dbraw/zinc/41/60/29/556416029.db2.gz IWWAXVJYFZIMGF-SJLPKXTDSA-N 0 0 428.488 5.143 50 0 IKAARN CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)nnc1C1CC1 ZINC000012936236 556416270 /nfs/dbraw/zinc/41/62/70/556416270.db2.gz RVZBAAZUHZJHLM-UHFFFAOYSA-N 0 0 431.565 5.329 50 0 IKAARN Fc1cccc(Cl)c1CN1CCC(c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)CC1 ZINC000004397290 556416284 /nfs/dbraw/zinc/41/62/84/556416284.db2.gz DKMGAGHFLHJLIK-UHFFFAOYSA-N 0 0 437.868 6.268 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000012938642 556416534 /nfs/dbraw/zinc/41/65/34/556416534.db2.gz CFLFJNVJQLWDHG-UHFFFAOYSA-N 0 0 434.542 5.133 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)cc1Cl ZINC000012941702 556416766 /nfs/dbraw/zinc/41/67/66/556416766.db2.gz MONLWNAFVFBFBG-UHFFFAOYSA-N 0 0 426.885 5.124 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000012942166 556417090 /nfs/dbraw/zinc/41/70/90/556417090.db2.gz DSWMESGZVMJEGL-SFHVURJKSA-N 0 0 446.551 5.276 50 0 IKAARN O=C(Oc1ccc(Cl)c2cccnc12)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032666038 556417372 /nfs/dbraw/zinc/41/73/72/556417372.db2.gz UNAOSFZEUZQDSC-ILGMOKPNSA-N 0 0 438.955 5.001 50 0 IKAARN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1OCc1cccnc1 ZINC000032833902 556417939 /nfs/dbraw/zinc/41/79/39/556417939.db2.gz LTVTUKRWSUUFHQ-UHFFFAOYSA-N 0 0 436.939 5.773 50 0 IKAARN COc1ccc(C2=C(Oc3ccc(Cl)cc3Cl)c3ccc(OC)cc3S2=O)cc1 ZINC000012952359 556418125 /nfs/dbraw/zinc/41/81/25/556418125.db2.gz FUDLKRUDIGYXJQ-UHFFFAOYSA-N 0 0 447.339 6.037 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCCCCOc3ccc(Cl)cc3)c3ccccc3n2)o1 ZINC000032836117 556418227 /nfs/dbraw/zinc/41/82/27/556418227.db2.gz XHCOJIACUFNIKH-UHFFFAOYSA-N 0 0 434.923 6.046 50 0 IKAARN O=C(Nc1cccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)c1)c1ccccc1Cl ZINC000012972998 556419315 /nfs/dbraw/zinc/41/93/15/556419315.db2.gz JSUOYCUUIGCDRL-UYRXBGFRSA-N 0 0 436.298 5.978 50 0 IKAARN COc1ccc(Br)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012974544 556420542 /nfs/dbraw/zinc/42/05/42/556420542.db2.gz VTSGGZSMJDTWRV-CYBMUJFWSA-N 0 0 431.355 5.087 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000012978214 556423108 /nfs/dbraw/zinc/42/31/08/556423108.db2.gz VDYUHHLIAPUCSG-CQSZACIVSA-N 0 0 446.370 5.544 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)OCc3ncc(-c4ccccc4)o3)c2oc1-c1ccccc1 ZINC000012979339 556423709 /nfs/dbraw/zinc/42/37/09/556423709.db2.gz HPFOIDXYKOAMAV-UHFFFAOYSA-N 0 0 437.451 5.780 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000012980764 556424317 /nfs/dbraw/zinc/42/43/17/556424317.db2.gz HNGHKSPFIIFUJB-UHFFFAOYSA-N 0 0 441.984 5.408 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000012983802 556425695 /nfs/dbraw/zinc/42/56/95/556425695.db2.gz QRBCIFKAPKVSFI-DEOSSOPVSA-N 0 0 444.535 5.538 50 0 IKAARN O=C(CSCc1ccc(F)cc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000014637605 556430648 /nfs/dbraw/zinc/43/06/48/556430648.db2.gz ZKPDVVMNZAJOTD-UHFFFAOYSA-N 0 0 433.382 6.189 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)c(OC)cc1Cl ZINC000012995910 556431058 /nfs/dbraw/zinc/43/10/58/556431058.db2.gz KERDSCGSNAZQOQ-UHFFFAOYSA-N 0 0 429.885 5.183 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2I)cc1Cc1ccccc1 ZINC000012996461 556431341 /nfs/dbraw/zinc/43/13/41/556431341.db2.gz RUUAZHCGELLFBI-UHFFFAOYSA-N 0 0 443.284 5.143 50 0 IKAARN O=C(CSc1nc2ccccc2o1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000027814562 556433349 /nfs/dbraw/zinc/43/33/49/556433349.db2.gz ARSFQVXIEQFJGY-QGZVFWFLSA-N 0 0 433.558 5.411 50 0 IKAARN Cc1ccc(-c2csc3nc(SCc4cccnc4)n(C[C@@H]4CCCO4)c(=O)c23)cc1 ZINC000027810609 556433402 /nfs/dbraw/zinc/43/34/02/556433402.db2.gz WLPYVKPLYFNZOB-IBGZPJMESA-N 0 0 449.601 5.300 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000013001785 556433694 /nfs/dbraw/zinc/43/36/94/556433694.db2.gz WQHYYRHGVZFCDT-UHFFFAOYSA-N 0 0 447.944 5.397 50 0 IKAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SCc3cccnc3)cc2)C(C)C)cc1 ZINC000032857493 556433872 /nfs/dbraw/zinc/43/38/72/556433872.db2.gz RTFWZIAAXDQXCO-QHCPKHFHSA-N 0 0 433.577 5.075 50 0 IKAARN O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Br)o1 ZINC000011024819 556434171 /nfs/dbraw/zinc/43/41/71/556434171.db2.gz ZQNYOYPWVMQCMO-UHFFFAOYSA-N 0 0 445.260 5.157 50 0 IKAARN Cc1ccc(-c2nnc(NC(=O)CCN(C(=O)CC(C)C)C3CCCCC3)s2)cc1 ZINC000004406677 556434514 /nfs/dbraw/zinc/43/45/14/556434514.db2.gz PHUQQSYNPVJJNM-UHFFFAOYSA-N 0 0 428.602 5.050 50 0 IKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 ZINC000013005704 556434735 /nfs/dbraw/zinc/43/47/35/556434735.db2.gz QOEQDCHEFQHPPX-UHFFFAOYSA-N 0 0 448.420 5.267 50 0 IKAARN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000013006290 556435069 /nfs/dbraw/zinc/43/50/69/556435069.db2.gz XRXHGAVWXLVVGU-UHFFFAOYSA-N 0 0 437.337 5.093 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000013006407 556435128 /nfs/dbraw/zinc/43/51/28/556435128.db2.gz VBGCBVUACYDARU-QFIPXVFZSA-N 0 0 440.540 5.683 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)OCc3c(F)c(F)c(F)c(F)c3F)c12 ZINC000014712859 556435492 /nfs/dbraw/zinc/43/54/92/556435492.db2.gz JHGSFTMCVSXNGA-UHFFFAOYSA-N 0 0 440.349 5.312 50 0 IKAARN Clc1ccc(-c2csc(N3N=C(c4ccco4)C[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000013011624 556436026 /nfs/dbraw/zinc/43/60/26/556436026.db2.gz VGNOCVPGNYINRR-FQEVSTJZSA-N 0 0 440.355 7.066 50 0 IKAARN CC(=O)Nc1ccc(SC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000013013141 556436292 /nfs/dbraw/zinc/43/62/92/556436292.db2.gz QPXMFFUDMUPCJM-JOCHJYFZSA-N 0 0 443.515 5.182 50 0 IKAARN Cc1cc(C)cc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)c1 ZINC000013013999 556436585 /nfs/dbraw/zinc/43/65/85/556436585.db2.gz SULPAZLLALINGN-NRFANRHFSA-N 0 0 433.508 5.965 50 0 IKAARN Fc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 ZINC000013015633 556437286 /nfs/dbraw/zinc/43/72/86/556437286.db2.gz DNYHUBMKKVFGIZ-NHCUHLMSSA-N 0 0 449.327 5.993 50 0 IKAARN O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)NCc1ccc(Cl)cc1 ZINC000013016015 556437713 /nfs/dbraw/zinc/43/77/13/556437713.db2.gz IOUKTIALAMHUBD-UHFFFAOYSA-N 0 0 442.418 5.379 50 0 IKAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1cccc2ccccc21 ZINC000013017426 556438351 /nfs/dbraw/zinc/43/83/51/556438351.db2.gz GUFNSTBNXDRQQM-YQQQUEKLSA-N 0 0 441.618 5.324 50 0 IKAARN CCN(C(=O)COc1cccc(C)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991099 556440011 /nfs/dbraw/zinc/44/00/11/556440011.db2.gz COTGCFCWWYOCDB-HHHXNRCGSA-N 0 0 428.532 5.502 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(Br)ccc1Cl ZINC000013022683 556440041 /nfs/dbraw/zinc/44/00/41/556440041.db2.gz KZRWEDBDZTUOAD-UHFFFAOYSA-N 0 0 435.730 5.413 50 0 IKAARN CCc1ccc(OCC(=O)N(CC)[C@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027991104 556440075 /nfs/dbraw/zinc/44/00/75/556440075.db2.gz BXKSCFPJJDIRBF-NDEPHWFRSA-N 0 0 426.560 6.056 50 0 IKAARN CCN(C(=O)COc1ccccc1OC)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993058 556440389 /nfs/dbraw/zinc/44/03/89/556440389.db2.gz NOKBAHJOVQNKMK-MHZLTWQESA-N 0 0 444.531 5.202 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)N(Cc1cccs1)c1ncccc1C ZINC000027992098 556440462 /nfs/dbraw/zinc/44/04/62/556440462.db2.gz OAXLDSXEQGBRQT-UHFFFAOYSA-N 0 0 441.350 6.116 50 0 IKAARN CCN(C(=O)COc1ccc(Cl)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993081 556440485 /nfs/dbraw/zinc/44/04/85/556440485.db2.gz KZLBXFSGECKHLS-SANMLTNESA-N 0 0 448.950 5.847 50 0 IKAARN CC(C)Cn1c2ccccc2nc1SCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000013026843 556440534 /nfs/dbraw/zinc/44/05/34/556440534.db2.gz VYQQHEQOPYSURU-VWLOTQADSA-N 0 0 448.563 6.732 50 0 IKAARN CC(C)Cn1c2ccccc2nc1SCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000013026840 556440556 /nfs/dbraw/zinc/44/05/56/556440556.db2.gz VYQQHEQOPYSURU-RUZDIDTESA-N 0 0 448.563 6.732 50 0 IKAARN CC[C@H](C)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1 ZINC000013026975 556440594 /nfs/dbraw/zinc/44/05/94/556440594.db2.gz JVJPQPSOCZAUMC-WUVIJCSQSA-N 0 0 434.561 5.245 50 0 IKAARN CCN(C(=O)COc1ccc(C)c(C)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993229 556440604 /nfs/dbraw/zinc/44/06/04/556440604.db2.gz RNRFVLIZZPXXPQ-NDEPHWFRSA-N 0 0 442.559 5.810 50 0 IKAARN CCOc1ccc(NC(=S)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000013026654 556440610 /nfs/dbraw/zinc/44/06/10/556440610.db2.gz NZZITZBZQQVLKU-UHFFFAOYSA-N 0 0 446.551 5.564 50 0 IKAARN CCN(C(=O)COc1ccc(OC)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993112 556440681 /nfs/dbraw/zinc/44/06/81/556440681.db2.gz HFNRXEJBQQCPRW-HHHXNRCGSA-N 0 0 444.531 5.202 50 0 IKAARN CCN(C(=O)COc1ccc(C)c(C)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993135 556440690 /nfs/dbraw/zinc/44/06/90/556440690.db2.gz KDSLGZHDKULYEL-MUUNZHRXSA-N 0 0 426.560 6.110 50 0 IKAARN Cc1cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c(C)n1-c1nccs1 ZINC000013027129 556440982 /nfs/dbraw/zinc/44/09/82/556440982.db2.gz VJFQCXUWPLUUPQ-UHFFFAOYSA-N 0 0 446.359 5.976 50 0 IKAARN O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)Cc1cccs1 ZINC000027994625 556441027 /nfs/dbraw/zinc/44/10/27/556441027.db2.gz CYKTUDLURNQKKQ-UHFFFAOYSA-N 0 0 444.306 5.053 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)c(Cl)cc4c3C)cs2)cc1 ZINC000027993828 556441037 /nfs/dbraw/zinc/44/10/37/556441037.db2.gz NBBRFNBHEZNYIT-UHFFFAOYSA-N 0 0 440.952 5.808 50 0 IKAARN COc1ccccc1[C@@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000013028724 556441622 /nfs/dbraw/zinc/44/16/22/556441622.db2.gz FXIHKSCSZOZXCN-OAHLLOKOSA-N 0 0 435.574 5.336 50 0 IKAARN CC(C)c1ccc(-c2noc(CSc3nnc(COc4ccc(F)cc4)o3)n2)cc1 ZINC000013029026 556441687 /nfs/dbraw/zinc/44/16/87/556441687.db2.gz XMXCPBOUBLNFFI-UHFFFAOYSA-N 0 0 426.473 5.253 50 0 IKAARN CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc2ccccc2nc1Cl ZINC000013029074 556441932 /nfs/dbraw/zinc/44/19/32/556441932.db2.gz NWMNJUMUNJOGTE-OAHLLOKOSA-N 0 0 449.904 6.146 50 0 IKAARN Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl ZINC000013037787 556443149 /nfs/dbraw/zinc/44/31/49/556443149.db2.gz LXUWDVYKYAYTOE-UHFFFAOYSA-N 0 0 434.377 5.382 50 0 IKAARN CCN(CC)[P@]1(=Nc2ccc(C)c(C)c2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C ZINC000032693734 556443171 /nfs/dbraw/zinc/44/31/71/556443171.db2.gz NXIZAKIOXIQVEU-ZJXHYCNCSA-N 0 0 449.583 6.878 50 0 IKAARN CCc1cccc2c(C(=O)[C@@H](Sc3nnc(-c4ccc[nH]4)o3)c3ccccc3)c[nH]c21 ZINC000028131170 556443995 /nfs/dbraw/zinc/44/39/95/556443995.db2.gz SLOBCHBRRKDCTJ-QFIPXVFZSA-N 0 0 428.517 5.825 50 0 IKAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000013039656 556445335 /nfs/dbraw/zinc/44/53/35/556445335.db2.gz WKMUUZGGWLPBFK-VWLOTQADSA-N 0 0 449.982 5.516 50 0 IKAARN CC(C)c1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000013040563 556446328 /nfs/dbraw/zinc/44/63/28/556446328.db2.gz GLEIROLEVKMROH-UHFFFAOYSA-N 0 0 441.531 5.263 50 0 IKAARN c1sc2nc(-c3ccccn3)nc(Sc3nc4ncccn4n3)c2c1-c1ccccc1 ZINC000032860089 556446452 /nfs/dbraw/zinc/44/64/52/556446452.db2.gz FDAIUYSFLAVIAN-UHFFFAOYSA-N 0 0 439.529 5.009 50 0 IKAARN Cc1cc(-c2csc(NC(=O)COc3cc(C)ccc3C)n2)c(C)n1C[C@@H]1CCCO1 ZINC000013041277 556447533 /nfs/dbraw/zinc/44/75/33/556447533.db2.gz SWSLDAHDGWNMMT-IBGZPJMESA-N 0 0 439.581 5.042 50 0 IKAARN Cc1cc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)c(C)n1C[C@H]1CCCO1 ZINC000013041276 556447564 /nfs/dbraw/zinc/44/75/64/556447564.db2.gz CRXBFUTZIRKBIV-GOSISDBHSA-N 0 0 445.972 5.078 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(C(C)C)cc2)cc1 ZINC000028287227 556447873 /nfs/dbraw/zinc/44/78/73/556447873.db2.gz CTSZAAGKNNGVNP-UHFFFAOYSA-N 0 0 442.515 5.998 50 0 IKAARN CCN(CC)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)c1ccccc1Cl ZINC000028288907 556448553 /nfs/dbraw/zinc/44/85/53/556448553.db2.gz PUIWUCSSINPMEQ-LJQANCHMSA-N 0 0 447.362 5.221 50 0 IKAARN CCc1ccc(OCC(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000028288765 556448565 /nfs/dbraw/zinc/44/85/65/556448565.db2.gz UDPMPWNGQZMEBA-MHZLTWQESA-N 0 0 428.532 5.366 50 0 IKAARN CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)c1ccccc1Cl ZINC000028288904 556448619 /nfs/dbraw/zinc/44/86/19/556448619.db2.gz PUIWUCSSINPMEQ-IBGZPJMESA-N 0 0 447.362 5.221 50 0 IKAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028288953 556448940 /nfs/dbraw/zinc/44/89/40/556448940.db2.gz JHAYAKJCBSUBBK-LJQANCHMSA-N 0 0 445.346 5.057 50 0 IKAARN Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2c1 ZINC000028289012 556448956 /nfs/dbraw/zinc/44/89/56/556448956.db2.gz GRNASWDDIHBRKY-NRFANRHFSA-N 0 0 438.955 5.020 50 0 IKAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028288956 556448973 /nfs/dbraw/zinc/44/89/73/556448973.db2.gz JHAYAKJCBSUBBK-IBGZPJMESA-N 0 0 445.346 5.057 50 0 IKAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4nc5c(s4)C[C@H](C)CC5)cc3)nc12 ZINC000014847110 556449867 /nfs/dbraw/zinc/44/98/67/556449867.db2.gz WTLBUTLIAPGEHC-OAHLLOKOSA-N 0 0 432.549 5.055 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028291780 556450040 /nfs/dbraw/zinc/45/00/40/556450040.db2.gz KWJBOIVOKJUODF-QHCPKHFHSA-N 0 0 434.580 5.150 50 0 IKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028291765 556450104 /nfs/dbraw/zinc/45/01/04/556450104.db2.gz STHFMKCTWJMSRM-QHCPKHFHSA-N 0 0 434.580 5.150 50 0 IKAARN CC(C)c1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCOCC2)cc1 ZINC000028291783 556450292 /nfs/dbraw/zinc/45/02/92/556450292.db2.gz UOVNFMFGHHEFMF-HXUWFJFHSA-N 0 0 443.012 5.481 50 0 IKAARN CC(C)c1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCOCC2)cc1 ZINC000028291786 556450302 /nfs/dbraw/zinc/45/03/02/556450302.db2.gz 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S=c1oc(-c2sc3ccccc3c2Cl)nn1CN1CCC[C@@H]1c1cccs1 ZINC000013070083 556453258 /nfs/dbraw/zinc/45/32/58/556453258.db2.gz FJBVEZGXQRRUMB-CYBMUJFWSA-N 0 0 434.011 6.597 50 0 IKAARN CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1=S ZINC000013071948 556453896 /nfs/dbraw/zinc/45/38/96/556453896.db2.gz FBIFKKWAHREGAA-HXUWFJFHSA-N 0 0 446.979 5.142 50 0 IKAARN CC(=O)Nc1s/c(=N\c2ccc(C)cc2)n(-c2ccc(C)cc2)c1-c1ccc(C)cc1 ZINC000028405626 556453966 /nfs/dbraw/zinc/45/39/66/556453966.db2.gz OFZJHQBCIWNLDH-SGEDCAFJSA-N 0 0 427.573 6.322 50 0 IKAARN CCOc1ccc(N2C(=O)[C@H](c3ccccc3)N(c3ccc(OCC)cc3)C2=S)cc1 ZINC000028405710 556453991 /nfs/dbraw/zinc/45/39/91/556453991.db2.gz QWDCLYMNTZSBIV-QHCPKHFHSA-N 0 0 432.545 5.363 50 0 IKAARN Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1 ZINC000014881917 556454055 /nfs/dbraw/zinc/45/40/55/556454055.db2.gz GSEORQAOEQXREG-LJQANCHMSA-N 0 0 439.481 5.799 50 0 IKAARN Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013073062 556454447 /nfs/dbraw/zinc/45/44/47/556454447.db2.gz RTCSFFBWFFQLKZ-UHFFFAOYSA-N 0 0 432.303 5.450 50 0 IKAARN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC(C)C ZINC000013074294 556454525 /nfs/dbraw/zinc/45/45/25/556454525.db2.gz ZKRLCYCEACAOQZ-OAHLLOKOSA-N 0 0 444.984 5.765 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000013095939 556456625 /nfs/dbraw/zinc/45/66/25/556456625.db2.gz QGLGAUHJIZDHLW-UHFFFAOYSA-N 0 0 436.533 5.878 50 0 IKAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013095856 556456654 /nfs/dbraw/zinc/45/66/54/556456654.db2.gz ADFXSGIGOHSBKJ-UHFFFAOYSA-N 0 0 436.393 5.367 50 0 IKAARN CC(C)[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc2c(c1)OCCCO2 ZINC000013095955 556456691 /nfs/dbraw/zinc/45/66/91/556456691.db2.gz WYHITTLVCCJWOZ-MHZLTWQESA-N 0 0 429.516 5.803 50 0 IKAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4-n4cncn4)cc3c2C1 ZINC000013096006 556456705 /nfs/dbraw/zinc/45/67/05/556456705.db2.gz JYITWLFGXYIJDH-CYBMUJFWSA-N 0 0 439.441 5.145 50 0 IKAARN COc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000028580889 556456742 /nfs/dbraw/zinc/45/67/42/556456742.db2.gz QKGSUDDSUDWAHB-GOSISDBHSA-N 0 0 436.335 5.037 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)OCc3cc4ccccc4nc3Cl)c12 ZINC000032869264 556457270 /nfs/dbraw/zinc/45/72/70/556457270.db2.gz YUKZNZAJZQVLMZ-UHFFFAOYSA-N 0 0 435.892 5.818 50 0 IKAARN CC(C)[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000013096602 556457326 /nfs/dbraw/zinc/45/73/26/556457326.db2.gz ZTAATQDLTIWCSD-NRFANRHFSA-N 0 0 440.392 5.760 50 0 IKAARN CN(C(=O)Oc1cccc2c(OC(=O)N(C)c3ccccc3)cccc12)c1ccccc1 ZINC000028629161 556457377 /nfs/dbraw/zinc/45/73/77/556457377.db2.gz IBGXIHLENGCGGQ-UHFFFAOYSA-N 0 0 426.472 6.110 50 0 IKAARN C[C@H](SC(=S)N1CCCC1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000013097343 556457900 /nfs/dbraw/zinc/45/79/00/556457900.db2.gz PWLWDECZBCNFHI-JTQLQIEISA-N 0 0 446.450 5.558 50 0 IKAARN COc1ccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2C(C)C)cc1 ZINC000013098052 556458777 /nfs/dbraw/zinc/45/87/77/556458777.db2.gz PDYJRSLDSNMDRL-UHFFFAOYSA-N 0 0 431.945 5.347 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)n2)c1 ZINC000013098720 556459220 /nfs/dbraw/zinc/45/92/20/556459220.db2.gz UNYRAZGDECZKOE-ZDUSSCGKSA-N 0 0 432.929 5.195 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(C)cc1 ZINC000013098904 556459384 /nfs/dbraw/zinc/45/93/84/556459384.db2.gz JTBPNGAUFDWWNZ-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000013098968 556459439 /nfs/dbraw/zinc/45/94/39/556459439.db2.gz VDZFCBYHPBGMQH-HHHXNRCGSA-N 0 0 447.582 5.878 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000028730225 556459784 /nfs/dbraw/zinc/45/97/84/556459784.db2.gz UYUGHIKDWLCEDL-UHFFFAOYSA-N 0 0 435.959 5.192 50 0 IKAARN CC(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000014948320 556459957 /nfs/dbraw/zinc/45/99/57/556459957.db2.gz RNSDNIGSVWNZGV-NRFANRHFSA-N 0 0 429.491 5.430 50 0 IKAARN CCCCCCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)cc1 ZINC000013100663 556460111 /nfs/dbraw/zinc/46/01/11/556460111.db2.gz JQEVRMRCOQXIMD-GOSISDBHSA-N 0 0 434.609 6.161 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NCc1ccc(F)cc1 ZINC000013101653 556460696 /nfs/dbraw/zinc/46/06/96/556460696.db2.gz FPTJODSILIJZNY-UHFFFAOYSA-N 0 0 442.535 5.137 50 0 IKAARN CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1OC ZINC000013102563 556461399 /nfs/dbraw/zinc/46/13/99/556461399.db2.gz LIMPHXRYEKELIJ-UHFFFAOYSA-N 0 0 444.959 5.452 50 0 IKAARN COCc1c(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)sc2cccc(F)c21 ZINC000013108094 556461697 /nfs/dbraw/zinc/46/16/97/556461697.db2.gz IYBQOMCZKHAVJO-UHFFFAOYSA-N 0 0 445.519 6.086 50 0 IKAARN COc1ccc(C[C@@H](NC(=O)Cc2c(Cl)cccc2Cl)c2ccc(OC)cc2)cc1 ZINC000013109440 556462939 /nfs/dbraw/zinc/46/29/39/556462939.db2.gz HDCYRZOHEPUHDZ-HSZRJFAPSA-N 0 0 444.358 5.653 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 ZINC000013109411 556462962 /nfs/dbraw/zinc/46/29/62/556462962.db2.gz LOKIQSBYRQELKJ-NIYFSFCBSA-N 0 0 442.559 5.887 50 0 IKAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C2CCCC2)c1C ZINC000013109898 556463617 /nfs/dbraw/zinc/46/36/17/556463617.db2.gz DWQSFHCUSZOUIO-CQSZACIVSA-N 0 0 427.492 5.633 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000013109975 556463969 /nfs/dbraw/zinc/46/39/69/556463969.db2.gz PYAIURFWKGNXEN-UHFFFAOYSA-N 0 0 435.281 5.074 50 0 IKAARN CCc1cccc(C)c1NC(=O)Cn1c2ccccc2nc1C(=O)c1ccc(Cl)cc1 ZINC000032959133 556464036 /nfs/dbraw/zinc/46/40/36/556464036.db2.gz FRZIEHWCFBMUMR-UHFFFAOYSA-N 0 0 431.923 5.430 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2csc(C(C)=O)c2)C1 ZINC000014961682 556464289 /nfs/dbraw/zinc/46/42/89/556464289.db2.gz IUPMNYKUWNJGIX-MRXNPFEDSA-N 0 0 434.989 5.244 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(OC)c1 ZINC000013112329 556464619 /nfs/dbraw/zinc/46/46/19/556464619.db2.gz XSWNMGNESICMLK-UHFFFAOYSA-N 0 0 427.526 5.036 50 0 IKAARN C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)N1CCc2ccccc21 ZINC000013112368 556464952 /nfs/dbraw/zinc/46/49/52/556464952.db2.gz CHDXNVBQMJIOIJ-LBPRGKRZSA-N 0 0 441.965 5.675 50 0 IKAARN O=C(Cc1coc(-c2ccccc2)n1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000029013543 556465617 /nfs/dbraw/zinc/46/56/17/556465617.db2.gz CZHDDMRPPYFJPU-UHFFFAOYSA-N 0 0 429.423 5.665 50 0 IKAARN CC[C@@H](Nc1ncnc2sc(C(=O)NCc3cccc(C)n3)c(C)c21)c1cccs1 ZINC000014968327 556465994 /nfs/dbraw/zinc/46/59/94/556465994.db2.gz YPDRZLASRASTFK-MRXNPFEDSA-N 0 0 437.594 5.258 50 0 IKAARN Clc1cc(CSc2nnc(-c3ccccc3Br)o2)cc2c1OCCO2 ZINC000013113059 556466102 /nfs/dbraw/zinc/46/61/02/556466102.db2.gz FLSHUEJNHHXSJQ-UHFFFAOYSA-N 0 0 439.718 5.216 50 0 IKAARN O=C(c1ccc(Cl)cc1OC1CCN(C/C=C/c2ccco2)CC1)N1CCCCC1 ZINC000014970339 556466668 /nfs/dbraw/zinc/46/66/68/556466668.db2.gz KTELRJBJDROJAT-GQCTYLIASA-N 0 0 428.960 5.116 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000013114418 556466776 /nfs/dbraw/zinc/46/67/76/556466776.db2.gz QKFUADXBBVRKFJ-UHFFFAOYSA-N 0 0 442.828 5.859 50 0 IKAARN O=C(CSc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013114513 556466989 /nfs/dbraw/zinc/46/69/89/556466989.db2.gz VTYWSGOZSFTPDQ-UHFFFAOYSA-N 0 0 428.439 5.170 50 0 IKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1cccc(Cl)c1 ZINC000013114818 556467239 /nfs/dbraw/zinc/46/72/39/556467239.db2.gz WULPDSBKBOLJNO-UHFFFAOYSA-N 0 0 432.983 5.778 50 0 IKAARN Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)n1Cc1ccco1 ZINC000013114809 556467266 /nfs/dbraw/zinc/46/72/66/556467266.db2.gz WVEBSIFPOASVIQ-UHFFFAOYSA-N 0 0 428.488 5.260 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013115595 556468253 /nfs/dbraw/zinc/46/82/53/556468253.db2.gz GPOKWRRPCOKZDU-UHFFFAOYSA-N 0 0 438.531 5.356 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 ZINC000013115914 556468286 /nfs/dbraw/zinc/46/82/86/556468286.db2.gz ORRRXXXJJBWJMT-MRXNPFEDSA-N 0 0 449.507 5.747 50 0 IKAARN Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cs1 ZINC000013115692 556468308 /nfs/dbraw/zinc/46/83/08/556468308.db2.gz CTKCIMKACWVBEO-AWEZNQCLSA-N 0 0 436.562 5.212 50 0 IKAARN Cc1ccc(-c2nnc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000013116010 556468535 /nfs/dbraw/zinc/46/85/35/556468535.db2.gz DQUGKLFRKJQTSG-SFHVURJKSA-N 0 0 441.940 5.012 50 0 IKAARN CSc1ccc(CN(C)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1 ZINC000029230241 556470230 /nfs/dbraw/zinc/47/02/30/556470230.db2.gz ABOBAPVJAOTJRS-UHFFFAOYSA-N 0 0 429.589 5.492 50 0 IKAARN C[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)c1ccc2c(c1)CCC2 ZINC000013117999 556471131 /nfs/dbraw/zinc/47/11/31/556471131.db2.gz QCPZQMSSLJTXMT-GFCCVEGCSA-N 0 0 428.355 5.086 50 0 IKAARN Cc1c(C(=O)N(C)[C@H](C)c2ccon2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014981851 556471278 /nfs/dbraw/zinc/47/12/78/556471278.db2.gz XIURVDNLAKNNBW-OAHLLOKOSA-N 0 0 425.558 5.123 50 0 IKAARN CN(C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@H]1CCCc2ccccc21 ZINC000029258964 556471293 /nfs/dbraw/zinc/47/12/93/556471293.db2.gz YUYQQPCGCDAPCI-HKUYNNGSSA-N 0 0 434.483 5.044 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000013118126 556471477 /nfs/dbraw/zinc/47/14/77/556471477.db2.gz IBVCISLXJVSYJT-UHFFFAOYSA-N 0 0 435.574 5.489 50 0 IKAARN COc1cccc(Nc2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)s2)c1 ZINC000029292661 556471629 /nfs/dbraw/zinc/47/16/29/556471629.db2.gz IKTRUFJUKJFQIL-UHFFFAOYSA-N 0 0 431.930 5.286 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000013120265 556472189 /nfs/dbraw/zinc/47/21/89/556472189.db2.gz AAATVJFGQAZXQO-INIZCTEOSA-N 0 0 434.517 5.493 50 0 IKAARN Clc1ccccc1OCc1nnc(SCc2nc(-c3ccsc3)no2)n1C1CC1 ZINC000013121069 556473587 /nfs/dbraw/zinc/47/35/87/556473587.db2.gz MJQVHYLOQRFLGZ-UHFFFAOYSA-N 0 0 445.957 5.249 50 0 IKAARN Clc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@H]2CCCO2)cc1 ZINC000013121042 556473590 /nfs/dbraw/zinc/47/35/90/556473590.db2.gz NWAMNOYFXSQECJ-QGZVFWFLSA-N 0 0 442.928 5.318 50 0 IKAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)NC1c2ccccc2-c2ccccc21 ZINC000029379913 556474009 /nfs/dbraw/zinc/47/40/09/556474009.db2.gz WNWNSSVLAUNVOM-UHFFFAOYSA-N 0 0 432.936 5.103 50 0 IKAARN Cc1ncc(Cc2ccccc2)c([C@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)n1 ZINC000014989017 556474075 /nfs/dbraw/zinc/47/40/75/556474075.db2.gz BUJYIPJEDGQXEU-QHCPKHFHSA-N 0 0 429.564 5.183 50 0 IKAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N[C@H](c1cccs1)c1ccccc1 ZINC000013121503 556474495 /nfs/dbraw/zinc/47/44/95/556474495.db2.gz KFIKBTHIIJOROU-QFIPXVFZSA-N 0 0 446.601 5.204 50 0 IKAARN CCc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c2cccs2)cc1 ZINC000029429429 556474989 /nfs/dbraw/zinc/47/49/89/556474989.db2.gz WDPQPEZKAOCENX-DENIHFKCSA-N 0 0 438.618 5.130 50 0 IKAARN CCc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c2cccs2)cc1 ZINC000029429431 556475056 /nfs/dbraw/zinc/47/50/56/556475056.db2.gz WDPQPEZKAOCENX-SIKLNZKXSA-N 0 0 438.618 5.130 50 0 IKAARN Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000014991462 556475080 /nfs/dbraw/zinc/47/50/80/556475080.db2.gz VXKMJPGYNYMESL-UHFFFAOYSA-N 0 0 440.572 5.595 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(C3(NC(=O)c4ccccc4)CCCCC3)n2)s1 ZINC000072284611 556475390 /nfs/dbraw/zinc/47/53/90/556475390.db2.gz ZBTNNRICMGAGCI-UHFFFAOYSA-N 0 0 439.606 5.097 50 0 IKAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)on2)cc1 ZINC000013126917 556475441 /nfs/dbraw/zinc/47/54/41/556475441.db2.gz GNHSBPBTTUMBKZ-UHFFFAOYSA-N 0 0 449.511 5.113 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)NCC(C)(c2ccccc2)c2ccccc2)no1 ZINC000013126941 556475529 /nfs/dbraw/zinc/47/55/29/556475529.db2.gz NPRVOISDJSZBHN-UHFFFAOYSA-N 0 0 443.572 5.406 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc(=O)n(C)n3)cc2F)cc1 ZINC000072285150 556475770 /nfs/dbraw/zinc/47/57/70/556475770.db2.gz BUMVWHVRXIIXED-MRXNPFEDSA-N 0 0 439.556 5.027 50 0 IKAARN COCCN(Cc1cc2ccc(F)cc2nc1-c1ccc(C)cc1)C(=O)Cc1ccsc1 ZINC000014993991 556476532 /nfs/dbraw/zinc/47/65/32/556476532.db2.gz NUOCECVQMMTWDH-UHFFFAOYSA-N 0 0 448.563 5.629 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cc2ccccc2o1 ZINC000013128132 556477093 /nfs/dbraw/zinc/47/70/93/556477093.db2.gz OHTOUUCXGFMBAY-CQSZACIVSA-N 0 0 436.512 5.135 50 0 IKAARN Cc1nc(-c2ccc(CN[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)s2)cs1 ZINC000013128042 556477194 /nfs/dbraw/zinc/47/71/94/556477194.db2.gz PVMGHMROWWABQH-QHCPKHFHSA-N 0 0 433.602 5.958 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c1 ZINC000013128143 556477481 /nfs/dbraw/zinc/47/74/81/556477481.db2.gz WUSKQRVBLGGRQD-HXUWFJFHSA-N 0 0 447.560 5.006 50 0 IKAARN Cc1ccc2c(COC(=O)c3oc4ccccc4c3COc3ccccc3)cc(=O)oc2c1 ZINC000013129555 556479202 /nfs/dbraw/zinc/47/92/02/556479202.db2.gz YBHBJEKJAJIOKK-UHFFFAOYSA-N 0 0 440.451 5.784 50 0 IKAARN COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000013129769 556479561 /nfs/dbraw/zinc/47/95/61/556479561.db2.gz NVWJFENRYWAVSZ-UHFFFAOYSA-N 0 0 437.495 5.611 50 0 IKAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1c(Cl)nc2sccn21 ZINC000011055620 556480843 /nfs/dbraw/zinc/48/08/43/556480843.db2.gz LMZFIQKNGHHHSQ-FQEVSTJZSA-N 0 0 444.871 5.153 50 0 IKAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc(-c2ccco2)no1 ZINC000029738687 556480895 /nfs/dbraw/zinc/48/08/95/556480895.db2.gz SUWAQNRVEDLLDA-AWEZNQCLSA-N 0 0 441.582 5.932 50 0 IKAARN Cc1sc2nc(S[C@H](C)c3nc(-c4ccco4)no3)n(C3CCCC3)c(=O)c2c1C ZINC000029739429 556481199 /nfs/dbraw/zinc/48/11/99/556481199.db2.gz CDSZSZBYTSYZOS-CYBMUJFWSA-N 0 0 442.566 5.686 50 0 IKAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nc(-c2ccco2)no1 ZINC000029740079 556481206 /nfs/dbraw/zinc/48/12/06/556481206.db2.gz GTDHMABJBFVDIS-CYBMUJFWSA-N 0 0 442.932 5.017 50 0 IKAARN O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1Sc1nc2ccccc2s1)c1ccccc1 ZINC000013133817 556481408 /nfs/dbraw/zinc/48/14/08/556481408.db2.gz VOKYGOZSFFERIH-TZIWHRDSSA-N 0 0 438.599 5.033 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc2ccc(SC)cc2nc1-c1cccc(OC)c1)C1CC1 ZINC000015005142 556481518 /nfs/dbraw/zinc/48/15/18/556481518.db2.gz RMOUKNBYRZLZLE-UHFFFAOYSA-N 0 0 448.632 6.560 50 0 IKAARN Cc1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1C1CCCCC1 ZINC000013134016 556481795 /nfs/dbraw/zinc/48/17/95/556481795.db2.gz NSOYEDPIHFGQQT-UHFFFAOYSA-N 0 0 434.609 5.413 50 0 IKAARN c1ccc2c(c1)OC[C@H](c1nnc3n1N=C(c1ccc(C4CCCCC4)cc1)CS3)O2 ZINC000013134302 556482424 /nfs/dbraw/zinc/48/24/24/556482424.db2.gz HPKRVBWFNSOSKY-JOCHJYFZSA-N 0 0 432.549 5.196 50 0 IKAARN CC(=O)Nc1ccc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000013134823 556482894 /nfs/dbraw/zinc/48/28/94/556482894.db2.gz APYYEUNWEAWPCJ-UHFFFAOYSA-N 0 0 442.544 5.229 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c12 ZINC000029797003 556482913 /nfs/dbraw/zinc/48/29/13/556482913.db2.gz ABIQMEORTOLHCE-GOSISDBHSA-N 0 0 447.516 5.008 50 0 IKAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Br)c1OC(C)C ZINC000015009356 556482984 /nfs/dbraw/zinc/48/29/84/556482984.db2.gz YLUAPRSSDVYBQL-UHFFFAOYSA-N 0 0 449.370 5.089 50 0 IKAARN Cc1cc2sc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)nc2c(C)c1 ZINC000013137202 556484123 /nfs/dbraw/zinc/48/41/23/556484123.db2.gz PWUHCXWBWRHMCA-UHFFFAOYSA-N 0 0 441.512 5.274 50 0 IKAARN CC(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000013137286 556484418 /nfs/dbraw/zinc/48/44/18/556484418.db2.gz CUUXFYSMRPCSDW-UHFFFAOYSA-N 0 0 427.401 5.374 50 0 IKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCc3ccccc3F)o2)cc1 ZINC000013138357 556485341 /nfs/dbraw/zinc/48/53/41/556485341.db2.gz PQEUHUIGOLFCDM-UHFFFAOYSA-N 0 0 439.533 5.914 50 0 IKAARN COc1cc(Cl)cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)c1O ZINC000015016160 556485549 /nfs/dbraw/zinc/48/55/49/556485549.db2.gz SGTNMWQAEBFUOU-UHFFFAOYSA-N 0 0 430.935 6.814 50 0 IKAARN CCOc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1O ZINC000015016216 556485559 /nfs/dbraw/zinc/48/55/59/556485559.db2.gz WFJJQGIPNNPAOO-VGSWGCGISA-N 0 0 426.925 5.748 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1-2 ZINC000015016235 556485572 /nfs/dbraw/zinc/48/55/72/556485572.db2.gz MWVMDAGVBGIUBL-IBGZPJMESA-N 0 0 442.928 5.316 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c(C)n1C ZINC000013139980 556485708 /nfs/dbraw/zinc/48/57/08/556485708.db2.gz IYIAFOKFRYQJTJ-UHFFFAOYSA-N 0 0 430.426 5.444 50 0 IKAARN COc1cc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc(OC)c1O ZINC000015016665 556485802 /nfs/dbraw/zinc/48/58/02/556485802.db2.gz GALJJOLXTLAHBR-UHFFFAOYSA-N 0 0 426.516 5.573 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cc(C)nc3ccccc32)c1 ZINC000032876204 556485868 /nfs/dbraw/zinc/48/58/68/556485868.db2.gz CRXJQQUEPGBXBC-FQEVSTJZSA-N 0 0 437.543 5.905 50 0 IKAARN Cc1nn(C)c2nc(C)cc(C(=O)N(c3cccc(N4CCCC4)c3)C3CCC(C)CC3)c12 ZINC000072290490 556485904 /nfs/dbraw/zinc/48/59/04/556485904.db2.gz FQZQTNWJSBNLMK-UHFFFAOYSA-N 0 0 445.611 5.411 50 0 IKAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc2c(c1)OCCO2 ZINC000013140995 556485986 /nfs/dbraw/zinc/48/59/86/556485986.db2.gz YOLLSJIOSBFXKJ-UHFFFAOYSA-N 0 0 444.921 5.351 50 0 IKAARN Clc1ccccc1-c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)o1 ZINC000015016862 556486177 /nfs/dbraw/zinc/48/61/77/556486177.db2.gz FYDFIXKGEYGTDK-DVECYGJZSA-N 0 0 432.932 6.904 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)N(C(C)=O)c1ccccc1-2 ZINC000015016827 556486256 /nfs/dbraw/zinc/48/62/56/556486256.db2.gz BJDDEHLVVCDZGN-BQXQKYNTSA-N 0 0 446.576 5.606 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@@H]3CCCC[C@H]3C)ccc21 ZINC000072290494 556486339 /nfs/dbraw/zinc/48/63/39/556486339.db2.gz CJPBPRIWHWWCBE-FQRUVTKNSA-N 0 0 445.607 5.421 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@@H]3CCCC[C@@H]3C)ccc21 ZINC000072290495 556486341 /nfs/dbraw/zinc/48/63/41/556486341.db2.gz CJPBPRIWHWWCBE-RXFWQSSRSA-N 0 0 445.607 5.421 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@H]3CCCC[C@@H]3C)ccc21 ZINC000072290493 556486348 /nfs/dbraw/zinc/48/63/48/556486348.db2.gz CJPBPRIWHWWCBE-FNZWTVRRSA-N 0 0 445.607 5.421 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 ZINC000013141059 556486368 /nfs/dbraw/zinc/48/63/68/556486368.db2.gz SIOXAHMCISMZLZ-QGZVFWFLSA-N 0 0 434.590 5.024 50 0 IKAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000013141463 556486597 /nfs/dbraw/zinc/48/65/97/556486597.db2.gz YJWQFIHUHDOXJX-UHFFFAOYSA-N 0 0 436.886 5.752 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc(F)ccc1F ZINC000013141246 556486624 /nfs/dbraw/zinc/48/66/24/556486624.db2.gz PVIXDGDRLCRQEO-UHFFFAOYSA-N 0 0 434.471 5.215 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000013141275 556486636 /nfs/dbraw/zinc/48/66/36/556486636.db2.gz CWTBQUWWEATIBR-UHFFFAOYSA-N 0 0 425.941 5.759 50 0 IKAARN CCOc1cc([C@@H]2Nc3ccc(CC)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000015018076 556486889 /nfs/dbraw/zinc/48/68/89/556486889.db2.gz XRDANDYPWAYYLW-JHVJFLLYSA-N 0 0 432.358 5.663 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2cc3ccccc3o2)cc1 ZINC000015018936 556487196 /nfs/dbraw/zinc/48/71/96/556487196.db2.gz JTWYNCFWSYPONL-UHFFFAOYSA-N 0 0 447.545 5.176 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc2ccccc2o1 ZINC000015018959 556487586 /nfs/dbraw/zinc/48/75/86/556487586.db2.gz DCIUASRUMOODDZ-UHFFFAOYSA-N 0 0 428.517 5.595 50 0 IKAARN COc1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(OC)c1Br ZINC000032876352 556488205 /nfs/dbraw/zinc/48/82/05/556488205.db2.gz CNWFINZPYWAVHH-UHFFFAOYSA-N 0 0 442.712 5.064 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)s1)c1ccco1 ZINC000030013342 556489272 /nfs/dbraw/zinc/48/92/72/556489272.db2.gz UKLIIXJNHGMGOR-UHFFFAOYSA-N 0 0 446.532 5.384 50 0 IKAARN CCOc1ccc(-n2c(CSc3nc4ccccc4o3)nc3ccccc3c2=O)cc1 ZINC000013147980 556489431 /nfs/dbraw/zinc/48/94/31/556489431.db2.gz YQODAVKLJJEJOJ-UHFFFAOYSA-N 0 0 429.501 5.218 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)sc2c1 ZINC000013148695 556490037 /nfs/dbraw/zinc/49/00/37/556490037.db2.gz QGKTXPGGLJIQRY-UHFFFAOYSA-N 0 0 448.573 5.715 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3-c3ccccc3)c2n1 ZINC000013148974 556490279 /nfs/dbraw/zinc/49/02/79/556490279.db2.gz VOQOMFXXTSSGJL-UHFFFAOYSA-N 0 0 437.326 6.535 50 0 IKAARN Cc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000013149359 556490938 /nfs/dbraw/zinc/49/09/38/556490938.db2.gz OAZHKWJLPDAGAG-UHFFFAOYSA-N 0 0 448.935 6.436 50 0 IKAARN CCOCc1ccccc1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000030180280 556491429 /nfs/dbraw/zinc/49/14/29/556491429.db2.gz JJXMHAHGPONGOD-UHFFFAOYSA-N 0 0 427.500 5.235 50 0 IKAARN O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000015064044 556491466 /nfs/dbraw/zinc/49/14/66/556491466.db2.gz RRNLBZIBKCXKFG-UHFFFAOYSA-N 0 0 429.948 5.453 50 0 IKAARN Cc1ccc(C)c(NC(=O)Cc2nc(CSc3nnc(-c4cccs4)o3)cs2)c1 ZINC000013150110 556492078 /nfs/dbraw/zinc/49/20/78/556492078.db2.gz UGLSDHPKBSJWCT-UHFFFAOYSA-N 0 0 442.591 5.345 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3F)cc2CN[C@H](C)c2nc(C)sc2C)cc1 ZINC000015064526 556492120 /nfs/dbraw/zinc/49/21/20/556492120.db2.gz XJOMGUYKZYSCRX-OAHLLOKOSA-N 0 0 436.556 5.611 50 0 IKAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013152804 556492675 /nfs/dbraw/zinc/49/26/75/556492675.db2.gz LAUOUSAZTZOGMR-UHFFFAOYSA-N 0 0 431.319 5.338 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)c(C)c1 ZINC000004555121 556493121 /nfs/dbraw/zinc/49/31/21/556493121.db2.gz SPAGEVNQWHVXAP-NDEPHWFRSA-N 0 0 427.544 5.052 50 0 IKAARN COc1cc(Cl)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC ZINC000011070217 556494727 /nfs/dbraw/zinc/49/47/27/556494727.db2.gz XBETWTRDNSRXCC-UHFFFAOYSA-N 0 0 440.887 5.195 50 0 IKAARN COc1ccc(CNc2nnc(SCC(=O)Nc3ccc4ccccc4c3)s2)cc1 ZINC000013163887 556495068 /nfs/dbraw/zinc/49/50/68/556495068.db2.gz PYIAHZLLAMMOTR-UHFFFAOYSA-N 0 0 436.562 5.043 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000030479029 556495170 /nfs/dbraw/zinc/49/51/70/556495170.db2.gz WSTJZHINBVJFQP-UHFFFAOYSA-N 0 0 438.449 5.861 50 0 IKAARN CC(=O)NCc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)s1 ZINC000013164119 556495800 /nfs/dbraw/zinc/49/58/00/556495800.db2.gz CGNNYHCNTSZWSB-UHFFFAOYSA-N 0 0 439.587 5.031 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(CN2CCCC2=O)c1 ZINC000013164296 556496020 /nfs/dbraw/zinc/49/60/20/556496020.db2.gz KPSVTGRLEPNCCM-UHFFFAOYSA-N 0 0 427.529 5.338 50 0 IKAARN Cc1sc2ncnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c2c1C ZINC000013164257 556496043 /nfs/dbraw/zinc/49/60/43/556496043.db2.gz DYDOLDRNIFSJCN-LBPRGKRZSA-N 0 0 428.608 5.230 50 0 IKAARN Cc1ccc(N(CCC(=O)Nc2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013164248 556496063 /nfs/dbraw/zinc/49/60/63/556496063.db2.gz MCTDUUNBOMQGPG-UHFFFAOYSA-N 0 0 448.588 5.016 50 0 IKAARN C[C@H]1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c2ccccc2S1 ZINC000013164301 556496082 /nfs/dbraw/zinc/49/60/82/556496082.db2.gz WGYLLOUUHYGHHI-AWEZNQCLSA-N 0 0 436.562 5.228 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(OCc4cscn4)cc3)ccc2OC)cc1 ZINC000013164474 556496483 /nfs/dbraw/zinc/49/64/83/556496483.db2.gz POXIPLHVYJFZIK-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN CCN(CC)C(=O)c1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 ZINC000030524302 556496677 /nfs/dbraw/zinc/49/66/77/556496677.db2.gz MUVKNMJNNTYRAA-UHFFFAOYSA-N 0 0 432.589 5.630 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 ZINC000013164865 556497253 /nfs/dbraw/zinc/49/72/53/556497253.db2.gz CHOQQDKXRNSWMO-XMMPIXPASA-N 0 0 442.588 5.495 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(SCc4ccc(C)cc4)s3)cc2)n1 ZINC000013165356 556498295 /nfs/dbraw/zinc/49/82/95/556498295.db2.gz XCPQYKBYIDPMJP-UHFFFAOYSA-N 0 0 435.578 5.194 50 0 IKAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)n1 ZINC000030575248 556498401 /nfs/dbraw/zinc/49/84/01/556498401.db2.gz SRYLQAVFYRBURP-UHFFFAOYSA-N 0 0 439.544 5.915 50 0 IKAARN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC ZINC000032707992 556500718 /nfs/dbraw/zinc/50/07/18/556500718.db2.gz CYCCHYDOSPAISW-MRXNPFEDSA-N 0 0 447.622 5.219 50 0 IKAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000015083545 556501861 /nfs/dbraw/zinc/50/18/61/556501861.db2.gz JVIHIBCNETYUFM-HSZRJFAPSA-N 0 0 449.000 6.909 50 0 IKAARN Cc1nc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)sc1-c1ccccn1 ZINC000030702045 556502298 /nfs/dbraw/zinc/50/22/98/556502298.db2.gz XNEWNVIKGCFIBC-UHFFFAOYSA-N 0 0 441.354 5.247 50 0 IKAARN O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(Nc3ccccc3)n[nH]c2N1 ZINC000015085101 556502344 /nfs/dbraw/zinc/50/23/44/556502344.db2.gz UZXXYCCIQCUYAP-NRFANRHFSA-N 0 0 428.467 5.346 50 0 IKAARN COc1cccc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)c1OC ZINC000013305948 556502421 /nfs/dbraw/zinc/50/24/21/556502421.db2.gz NUQHSPZVZCBSDR-QFIPXVFZSA-N 0 0 443.528 5.236 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4cc5ccccc5oc4=O)cs3)c(=N)oc2c1 ZINC000004419978 556502429 /nfs/dbraw/zinc/50/24/29/556502429.db2.gz VBCSKEYQYSTADW-UHFFFAOYSA-N 0 0 443.528 5.655 50 0 IKAARN O=C(NCc1ccco1)/C(=C/c1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1 ZINC000013370602 556503499 /nfs/dbraw/zinc/50/34/99/556503499.db2.gz ZIBZWWHXOOHWQM-JCMHNJIXSA-N 0 0 446.890 5.280 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)ccc1OC ZINC000004554739 556503738 /nfs/dbraw/zinc/50/37/38/556503738.db2.gz YTWHFQUXBVUVIA-BTYIYWSLSA-N 0 0 428.598 6.125 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1cccc(F)c1)CC(=O)N2 ZINC000015106715 556504149 /nfs/dbraw/zinc/50/41/49/556504149.db2.gz JPVAQWLGYXSPRI-INIZCTEOSA-N 0 0 448.441 5.941 50 0 IKAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc21 ZINC000030768955 556505735 /nfs/dbraw/zinc/50/57/35/556505735.db2.gz NVVDLGJZHMTZQZ-UHFFFAOYSA-N 0 0 441.527 5.791 50 0 IKAARN FC(F)(F)c1ccc(N2CCCN(C(=S)Nc3cc(Cl)cc(Cl)c3)CC2)nc1 ZINC000013463744 556506434 /nfs/dbraw/zinc/50/64/34/556506434.db2.gz ANXAWISTSGUYII-UHFFFAOYSA-N 0 0 449.329 5.316 50 0 IKAARN Cc1sc2nc(CN3CCCC3)nc(Oc3ccc4c5c(c(=O)oc4c3)CCC5)c2c1C ZINC000015163406 556507209 /nfs/dbraw/zinc/50/72/09/556507209.db2.gz MPONYCNOZZKCQS-UHFFFAOYSA-N 0 0 447.560 5.291 50 0 IKAARN FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2nc3ccccc3s2)cc1 ZINC000013465503 556507176 /nfs/dbraw/zinc/50/71/76/556507176.db2.gz CRHQIMCBVKBMLC-OAQYLSRUSA-N 0 0 446.519 6.404 50 0 IKAARN Cc1nc2ccccc2nc1Sc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000030831833 556507207 /nfs/dbraw/zinc/50/72/07/556507207.db2.gz ROVVMLSDBIBACL-UHFFFAOYSA-N 0 0 429.932 6.251 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC000013466064 556507253 /nfs/dbraw/zinc/50/72/53/556507253.db2.gz KJQBEJFPHAGBCV-MHZLTWQESA-N 0 0 427.284 5.393 50 0 IKAARN COc1ccc2nc(NC(=O)CSc3nc(-c4ccc(C)cc4)cs3)sc2c1 ZINC000013471288 556507458 /nfs/dbraw/zinc/50/74/58/556507458.db2.gz WCZADUVGTHESRP-UHFFFAOYSA-N 0 0 427.576 5.468 50 0 IKAARN CCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1OCC ZINC000013494720 556508785 /nfs/dbraw/zinc/50/87/85/556508785.db2.gz LORNRGLEMNBBNA-UHFFFAOYSA-N 0 0 449.429 5.124 50 0 IKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032883835 556509647 /nfs/dbraw/zinc/50/96/47/556509647.db2.gz CQBGIHVLLZPOAV-UHFFFAOYSA-N 0 0 443.528 5.721 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Br)c1)O2 ZINC000013511030 556510098 /nfs/dbraw/zinc/51/00/98/556510098.db2.gz ANQNCBIYXZXRGW-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN O=C(Cc1cccc2cccnc21)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032885605 556510158 /nfs/dbraw/zinc/51/01/58/556510158.db2.gz ZEBGZWDDFRQAQI-JOCHJYFZSA-N 0 0 439.946 5.860 50 0 IKAARN O=C(Cc1cccc2cccnc21)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032885606 556510182 /nfs/dbraw/zinc/51/01/82/556510182.db2.gz ZEBGZWDDFRQAQI-QFIPXVFZSA-N 0 0 439.946 5.860 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000013512342 556510532 /nfs/dbraw/zinc/51/05/32/556510532.db2.gz SDEAXBDLFYOJET-UGSOOPFHSA-N 0 0 448.589 5.029 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1OC ZINC000013512004 556510571 /nfs/dbraw/zinc/51/05/71/556510571.db2.gz IAQACKJFOKOWNI-NRFANRHFSA-N 0 0 437.337 5.822 50 0 IKAARN CCCSc1nc2sc3c(c2c(SCc2ccccc2)n1)C[C@](C)(CC)OC3 ZINC000013514070 556511170 /nfs/dbraw/zinc/51/11/70/556511170.db2.gz DDYORLISHPAKMG-QFIPXVFZSA-N 0 0 430.664 6.727 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1CC1CCCCC1 ZINC000013514388 556511416 /nfs/dbraw/zinc/51/14/16/556511416.db2.gz LDYBVYXZJZYONQ-UHFFFAOYSA-N 0 0 443.410 6.032 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 ZINC000013518473 556511769 /nfs/dbraw/zinc/51/17/69/556511769.db2.gz AJQMFQUXHQHCLJ-UHFFFAOYSA-N 0 0 437.373 6.038 50 0 IKAARN COc1ccc(OCCSc2nn(-c3ccc(Cl)c(Cl)c3)c(=S)s2)cc1 ZINC000013525622 556512342 /nfs/dbraw/zinc/51/23/42/556512342.db2.gz HGFRLRFPZWLJCW-UHFFFAOYSA-N 0 0 445.418 6.150 50 0 IKAARN COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000015227321 556512338 /nfs/dbraw/zinc/51/23/38/556512338.db2.gz CIHZVFFCLJEGFN-LBNVMWSVSA-N 0 0 434.495 5.601 50 0 IKAARN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)cc1Br ZINC000013532370 556512729 /nfs/dbraw/zinc/51/27/29/556512729.db2.gz LTDHKUBLEOEVAB-UHFFFAOYSA-N 0 0 427.704 6.966 50 0 IKAARN C[C@@H](NC(=O)CSc1nc2ccccc2n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013526782 556512764 /nfs/dbraw/zinc/51/27/64/556512764.db2.gz NEKMBZQNMLHGLG-FVFHPELPSA-N 0 0 445.632 5.839 50 0 IKAARN Clc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1Cl ZINC000013534161 556512955 /nfs/dbraw/zinc/51/29/55/556512955.db2.gz XHZSHEQHZFMPQK-UHFFFAOYSA-N 0 0 434.153 8.024 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000013536957 556513357 /nfs/dbraw/zinc/51/33/57/556513357.db2.gz YXHIZMKPEVXIID-ISKFKSNPSA-N 0 0 449.348 6.090 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 ZINC000015274825 556514024 /nfs/dbraw/zinc/51/40/24/556514024.db2.gz MPOCIQNFLQKQRH-UHFFFAOYSA-N 0 0 446.551 5.675 50 0 IKAARN COc1ccc2c(c1)c(-c1csc(NC(=O)c3ccc(Cl)nc3Cl)n1)c(C)n2C ZINC000013549311 556514574 /nfs/dbraw/zinc/51/45/74/556514574.db2.gz XFIYCDMNNMCOAR-UHFFFAOYSA-N 0 0 447.347 5.573 50 0 IKAARN CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000072294855 556514601 /nfs/dbraw/zinc/51/46/01/556514601.db2.gz MCJLBIKREMNEHK-JCURWCKSSA-N 0 0 425.413 5.037 50 0 IKAARN CC(C)[C@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000013550787 556514877 /nfs/dbraw/zinc/51/48/77/556514877.db2.gz SGTBFGONDLTQHI-VWLOTQADSA-N 0 0 434.580 5.527 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1nc2ccccc2n1C(F)F ZINC000032895243 556514865 /nfs/dbraw/zinc/51/48/65/556514865.db2.gz ZEKDWHVFYSIZCS-LLVKDONJSA-N 0 0 428.266 5.164 50 0 IKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032895254 556514946 /nfs/dbraw/zinc/51/49/46/556514946.db2.gz UHRCTZGVRVGCOC-QFIPXVFZSA-N 0 0 437.515 5.923 50 0 IKAARN COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013552079 556515280 /nfs/dbraw/zinc/51/52/80/556515280.db2.gz UBZJEEBWQDOGGA-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1Br ZINC000013552871 556515483 /nfs/dbraw/zinc/51/54/83/556515483.db2.gz ORNICGYJKXDCTN-UHFFFAOYSA-N 0 0 441.275 6.460 50 0 IKAARN COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccc(C)cc4)n2)COC(C)(C)C3)c1 ZINC000013556781 556516776 /nfs/dbraw/zinc/51/67/76/556516776.db2.gz AYIDXJRDSBZSBL-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)nc3c2COC(C)(C)C3)cc1 ZINC000013557377 556517180 /nfs/dbraw/zinc/51/71/80/556517180.db2.gz PIHIAZFCYCQFEE-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN O=C(CCSCc1cn2ccccc2n1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000030945592 556517237 /nfs/dbraw/zinc/51/72/37/556517237.db2.gz PJJYUQZKOVBWHV-IBGZPJMESA-N 0 0 436.606 5.321 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1Cl)C(C)(C)N2 ZINC000013562040 556517837 /nfs/dbraw/zinc/51/78/37/556517837.db2.gz DEQAFJGKCQZGOZ-NMWGTECJSA-N 0 0 437.417 7.075 50 0 IKAARN Clc1cccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)c1Cl ZINC000013563905 556518327 /nfs/dbraw/zinc/51/83/27/556518327.db2.gz JLQBCMZKPUKYSH-UHFFFAOYSA-N 0 0 441.361 8.385 50 0 IKAARN Fc1ccc(C(CCCSCc2cc(-c3ccco3)on2)c2ccc(F)cc2)cc1 ZINC000032891490 556519120 /nfs/dbraw/zinc/51/91/20/556519120.db2.gz QKKWOCRJYVARCU-UHFFFAOYSA-N 0 0 425.500 7.058 50 0 IKAARN COc1ccc(Br)cc1C1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 ZINC000003090083 556519245 /nfs/dbraw/zinc/51/92/45/556519245.db2.gz WQIBTGFWYXRKQE-UHFFFAOYSA-N 0 0 437.381 6.100 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cnc(SC)n3-c3ccc(F)cc3)n2)cc1 ZINC000015318760 556519643 /nfs/dbraw/zinc/51/96/43/556519643.db2.gz AEKWCODZUVDCEN-UHFFFAOYSA-N 0 0 440.525 5.118 50 0 IKAARN CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(Br)cc1 ZINC000015319074 556519853 /nfs/dbraw/zinc/51/98/53/556519853.db2.gz UNOUMYXBWDDTAL-RRPUWOKSSA-N 0 0 435.365 5.929 50 0 IKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C2CC2)c1 ZINC000072295964 556520518 /nfs/dbraw/zinc/52/05/18/556520518.db2.gz AMYXSWIICAPHBV-SFHVURJKSA-N 0 0 443.522 6.200 50 0 IKAARN COc1ccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C2CCCCC2)cc1OC ZINC000013567036 556520610 /nfs/dbraw/zinc/52/06/10/556520610.db2.gz YECBIEDGYGJSRG-UHFFFAOYSA-N 0 0 435.524 5.037 50 0 IKAARN COc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000003097400 556520824 /nfs/dbraw/zinc/52/08/24/556520824.db2.gz JQLXHCFIRVJOHS-UHFFFAOYSA-N 0 0 431.495 6.225 50 0 IKAARN CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000013569606 556521430 /nfs/dbraw/zinc/52/14/30/556521430.db2.gz JAWKEDAJZDMBHQ-UHFFFAOYSA-N 0 0 436.364 5.974 50 0 IKAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000032719083 556521540 /nfs/dbraw/zinc/52/15/40/556521540.db2.gz XYGYCHJGCGIWII-UHFFFAOYSA-N 0 0 444.944 5.740 50 0 IKAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2 ZINC000013569296 556521552 /nfs/dbraw/zinc/52/15/52/556521552.db2.gz MCMOIBJLUHTGBM-QFIPXVFZSA-N 0 0 439.519 5.290 50 0 IKAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2 ZINC000013569294 556521565 /nfs/dbraw/zinc/52/15/65/556521565.db2.gz MCMOIBJLUHTGBM-JOCHJYFZSA-N 0 0 439.519 5.290 50 0 IKAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(C)c4[C@@H]3c3ccc(C(C)C)cc3)c2c1 ZINC000013570311 556521883 /nfs/dbraw/zinc/52/18/83/556521883.db2.gz KIBFUKHRZRTHQG-VWLOTQADSA-N 0 0 428.536 5.119 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Br)cc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000013570534 556521966 /nfs/dbraw/zinc/52/19/66/556521966.db2.gz YUPOMHDZPFJSPL-UHFFFAOYSA-N 0 0 448.386 5.035 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(c3ccccc3F)C3CCCC3)c12 ZINC000072300864 556523550 /nfs/dbraw/zinc/52/35/50/556523550.db2.gz QVGRIRIQXISAIJ-UHFFFAOYSA-N 0 0 434.559 6.101 50 0 IKAARN CCCN(C(=O)c1ccc(Br)o1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000072300886 556523884 /nfs/dbraw/zinc/52/38/84/556523884.db2.gz KDEXPMPHUZIBTG-FQEVSTJZSA-N 0 0 431.305 5.526 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000013574238 556524650 /nfs/dbraw/zinc/52/46/50/556524650.db2.gz CHLRAUZNHLSBRI-JTQLQIEISA-N 0 0 428.867 5.145 50 0 IKAARN COc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412322 556524845 /nfs/dbraw/zinc/52/48/45/556524845.db2.gz VHRMWQGKGXFYDD-XMMPIXPASA-N 0 0 434.923 5.087 50 0 IKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000015412380 556525134 /nfs/dbraw/zinc/52/51/34/556525134.db2.gz LAUIHJGMLITEMF-IWCMWKPHSA-N 0 0 444.962 5.809 50 0 IKAARN O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000013575208 556525275 /nfs/dbraw/zinc/52/52/75/556525275.db2.gz ZWRVFBCLONJHIQ-GOSISDBHSA-N 0 0 438.858 5.471 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412619 556525427 /nfs/dbraw/zinc/52/54/27/556525427.db2.gz QAKOIFQKTYNHOE-HHHXNRCGSA-N 0 0 442.559 5.557 50 0 IKAARN Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccncc2)n1 ZINC000072301738 556525717 /nfs/dbraw/zinc/52/57/17/556525717.db2.gz LOIUVZPGYRMAEX-NRFANRHFSA-N 0 0 425.536 5.967 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2/C(C)=C/c2ccccc2)cc1 ZINC000015413189 556526100 /nfs/dbraw/zinc/52/61/00/556526100.db2.gz KMRGNISAKBRHEX-BHAFLUAZSA-N 0 0 440.543 5.164 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000013582452 556528323 /nfs/dbraw/zinc/52/83/23/556528323.db2.gz OHFZIHNKUSKIPS-XMMPIXPASA-N 0 0 426.903 6.592 50 0 IKAARN CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OC)c(Br)c1 ZINC000013586699 556528656 /nfs/dbraw/zinc/52/86/56/556528656.db2.gz BFNPMHRTUYWBIA-UHFFFAOYSA-N 0 0 438.115 5.760 50 0 IKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000032900339 556529194 /nfs/dbraw/zinc/52/91/94/556529194.db2.gz SERQZPKBALNTEU-QGZVFWFLSA-N 0 0 440.465 5.720 50 0 IKAARN CC(=O)c1cccc(NC(=O)C(=Cc2cccc3ccccc23)NC(=O)c2ccc(C)cc2)c1 ZINC000013591082 556529399 /nfs/dbraw/zinc/52/93/99/556529399.db2.gz CVKLLOIGZRLDOP-IMRQLAEWSA-N 0 0 448.522 5.760 50 0 IKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1nc(Cl)ccc1Cl ZINC000032900591 556529532 /nfs/dbraw/zinc/52/95/32/556529532.db2.gz WFKFZFKNURVCCB-CQSZACIVSA-N 0 0 428.319 5.474 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2cc(OC(=O)c3ccccc3)cc3c2N1C(=O)C3=O ZINC000013591539 556529679 /nfs/dbraw/zinc/52/96/79/556529679.db2.gz ORTNVRSTTVOHHI-UHFFFAOYSA-N 0 0 439.539 5.203 50 0 IKAARN COc1cccc(C(=O)Nc2c(-c3cccc4ccccc43)c(=O)c3ccccc3n2C)c1 ZINC000013591585 556529767 /nfs/dbraw/zinc/52/97/67/556529767.db2.gz YLCJJSUSIAJXSS-UHFFFAOYSA-N 0 0 434.495 5.620 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000013592115 556530011 /nfs/dbraw/zinc/53/00/11/556530011.db2.gz PVZCLABLYJNPSD-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN O=c1c2ccccc2nc(CSc2nc(-c3ccccc3)c[nH]2)n1-c1ccccc1Cl ZINC000032109849 556530318 /nfs/dbraw/zinc/53/03/18/556530318.db2.gz VYSANKLRGSBJEB-UHFFFAOYSA-N 0 0 444.947 5.722 50 0 IKAARN Cc1ccc(-c2csc3[nH]c(CS[C@H](C)C(=O)N(C(C)C)C(C)C)nc(=O)c23)s1 ZINC000015494974 556530959 /nfs/dbraw/zinc/53/09/59/556530959.db2.gz JJMZCSQZHYWTAV-CQSZACIVSA-N 0 0 449.667 5.289 50 0 IKAARN O=C(c1cccs1)[C@H]1C(c2ccc(Cl)cc2Cl)=NO[C@]12C(=O)Nc1ccccc12 ZINC000013593469 556531292 /nfs/dbraw/zinc/53/12/92/556531292.db2.gz RISIPFOKZDLDST-UTKZUKDTSA-N 0 0 443.311 5.136 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000013595758 556532003 /nfs/dbraw/zinc/53/20/03/556532003.db2.gz UCCDIGWNGSSVDF-DENIHFKCSA-N 0 0 445.332 5.417 50 0 IKAARN COc1ccc(Br)cc1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1 ZINC000013596152 556532019 /nfs/dbraw/zinc/53/20/19/556532019.db2.gz YZYGNOUVRAOUCX-UHFFFAOYSA-N 0 0 441.275 6.460 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000013596866 556532324 /nfs/dbraw/zinc/53/23/24/556532324.db2.gz DXEFUKFKUMSOOP-QRWLVFNGSA-N 0 0 433.371 5.339 50 0 IKAARN O=C(NC1CCCCC1)/C(=C/c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1 ZINC000013597512 556532383 /nfs/dbraw/zinc/53/23/83/556532383.db2.gz QPPPDUGJFUPPIR-QJOMJCCJSA-N 0 0 432.495 5.306 50 0 IKAARN COc1ccc(Cl)cc1CN(C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000015551216 556534369 /nfs/dbraw/zinc/53/43/69/556534369.db2.gz USOMFPIMMFSODA-UHFFFAOYSA-N 0 0 444.000 5.235 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000032901027 556535296 /nfs/dbraw/zinc/53/52/96/556535296.db2.gz ABNHTTONWHGSPX-GFCCVEGCSA-N 0 0 444.869 5.582 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1OC ZINC000013617392 556535854 /nfs/dbraw/zinc/53/58/54/556535854.db2.gz RJCVIQJLSMYNLJ-UHFFFAOYSA-N 0 0 425.315 6.735 50 0 IKAARN COc1cc(OC)c(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1Br ZINC000013617260 556535901 /nfs/dbraw/zinc/53/59/01/556535901.db2.gz JZWNLSWUEHBGJU-UHFFFAOYSA-N 0 0 447.379 6.313 50 0 IKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1C ZINC000013618623 556535935 /nfs/dbraw/zinc/53/59/35/556535935.db2.gz YWYPXCWPXISOJW-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000011088970 556537797 /nfs/dbraw/zinc/53/77/97/556537797.db2.gz CRIHSCDVXIYUAO-OAHLLOKOSA-N 0 0 442.346 5.750 50 0 IKAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000013629159 556538585 /nfs/dbraw/zinc/53/85/85/556538585.db2.gz RKJZIBPVYTWPOH-UHFFFAOYSA-N 0 0 437.874 6.002 50 0 IKAARN CCCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631158 556539191 /nfs/dbraw/zinc/53/91/91/556539191.db2.gz HZTTWTWZOWUHFR-UHFFFAOYSA-N 0 0 430.548 6.079 50 0 IKAARN Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cccc(Br)c1 ZINC000015636037 556539353 /nfs/dbraw/zinc/53/93/53/556539353.db2.gz VESFJQSCUIANLK-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(C(F)(F)F)c2)C12CCCCC2 ZINC000015636760 556539585 /nfs/dbraw/zinc/53/95/85/556539585.db2.gz ZWHLQZUKPUFHIR-UHFFFAOYSA-N 0 0 431.527 6.641 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 ZINC000015641657 556539921 /nfs/dbraw/zinc/53/99/21/556539921.db2.gz SKFNLCJHVYGCGS-UHFFFAOYSA-N 0 0 426.904 5.184 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000032540509 556540555 /nfs/dbraw/zinc/54/05/55/556540555.db2.gz XMOMOVMLWMHAOU-UHFFFAOYSA-N 0 0 431.495 6.022 50 0 IKAARN Cc1cccc(Oc2ncccc2NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1C ZINC000071184901 556540820 /nfs/dbraw/zinc/54/08/20/556540820.db2.gz DQHXOUNJCNDIFZ-UHFFFAOYSA-N 0 0 437.883 5.081 50 0 IKAARN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000015659064 556541233 /nfs/dbraw/zinc/54/12/33/556541233.db2.gz ZBDBJIKHVGTXCW-HFLSBTCFSA-N 0 0 442.515 5.734 50 0 IKAARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccco2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000015659069 556541352 /nfs/dbraw/zinc/54/13/52/556541352.db2.gz ZBDBJIKHVGTXCW-RTSKVUABSA-N 0 0 442.515 5.734 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641272 556542107 /nfs/dbraw/zinc/54/21/07/556542107.db2.gz IRXHSAARKAMZHX-UHFFFAOYSA-N 0 0 439.515 5.848 50 0 IKAARN C[C@@H](c1ccccc1)n1c2ccc(Cl)cc2nc1SCC(=O)c1ccc(F)cc1F ZINC000013640762 556542192 /nfs/dbraw/zinc/54/21/92/556542192.db2.gz SPRRJSDFKRJBBN-AWEZNQCLSA-N 0 0 442.918 6.552 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c32)c(C)c1 ZINC000013641576 556542507 /nfs/dbraw/zinc/54/25/07/556542507.db2.gz FIGIVEWJFZCWBO-MRXNPFEDSA-N 0 0 429.476 5.035 50 0 IKAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641503 556542635 /nfs/dbraw/zinc/54/26/35/556542635.db2.gz OHXCEGXHUHDNCP-UHFFFAOYSA-N 0 0 439.515 5.704 50 0 IKAARN COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)cc1OC ZINC000015685445 556543256 /nfs/dbraw/zinc/54/32/56/556543256.db2.gz KBGHXQDQZYQILZ-UHFFFAOYSA-N 0 0 436.511 6.590 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)c(OC)c1C ZINC000013645641 556543601 /nfs/dbraw/zinc/54/36/01/556543601.db2.gz QMXDUFYRUCRDPB-UHFFFAOYSA-N 0 0 439.342 7.043 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Nc4ccccc4)cc3)o2)cc1 ZINC000032904331 556543665 /nfs/dbraw/zinc/54/36/65/556543665.db2.gz XCPJICNDHAKVFD-UHFFFAOYSA-N 0 0 432.505 5.220 50 0 IKAARN O=C(NCc1cnn(-c2ccccc2)c1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032904586 556544289 /nfs/dbraw/zinc/54/42/89/556544289.db2.gz HFVOFVLNTNMIMO-UHFFFAOYSA-N 0 0 440.528 5.236 50 0 IKAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N[C@@H]1CCCc2ccccc21 ZINC000013654545 556545724 /nfs/dbraw/zinc/54/57/24/556545724.db2.gz NMXYXMXYUDQVBS-XMMPIXPASA-N 0 0 425.484 5.033 50 0 biogenic IKAARN CSc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)c1 ZINC000015724781 556545999 /nfs/dbraw/zinc/54/59/99/556545999.db2.gz NHPIATUAYNRCDN-VWLOTQADSA-N 0 0 427.573 6.378 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000015724610 556546076 /nfs/dbraw/zinc/54/60/76/556546076.db2.gz CMBJNHDSJNEXSM-OAQYLSRUSA-N 0 0 445.321 6.505 50 0 IKAARN Clc1ccc(OCc2nnc3sc(-c4ccc5ccccc5n4)nn23)c(Cl)c1 ZINC000013655239 556546100 /nfs/dbraw/zinc/54/61/00/556546100.db2.gz DFCHRQWVTSOBMM-UHFFFAOYSA-N 0 0 428.304 5.287 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000015725005 556546228 /nfs/dbraw/zinc/54/62/28/556546228.db2.gz KWMUTXTXSYDPJH-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000015724866 556546233 /nfs/dbraw/zinc/54/62/33/556546233.db2.gz PFCKJHDVQMZCBA-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015724854 556546340 /nfs/dbraw/zinc/54/63/40/556546340.db2.gz ZWBCDURYQOIAAN-OEGOZUNASA-N 0 0 443.566 5.933 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000015724868 556546364 /nfs/dbraw/zinc/54/63/64/556546364.db2.gz PFCKJHDVQMZCBA-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725144 556546548 /nfs/dbraw/zinc/54/65/48/556546548.db2.gz AFDOBDKDJNJLHE-QHCPKHFHSA-N 0 0 437.877 6.279 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725134 556546550 /nfs/dbraw/zinc/54/65/50/556546550.db2.gz BHNYLVPIWKCQMO-RUZDIDTESA-N 0 0 447.941 6.702 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000015725204 556546561 /nfs/dbraw/zinc/54/65/61/556546561.db2.gz UTKKRKKPALWTDR-SANMLTNESA-N 0 0 443.978 6.872 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000015725035 556546586 /nfs/dbraw/zinc/54/65/86/556546586.db2.gz JCOZGAPDQRRLDK-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000015725068 556546591 /nfs/dbraw/zinc/54/65/91/556546591.db2.gz GRACBZGLOTWMSQ-RUZDIDTESA-N 0 0 447.941 6.757 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000015725275 556546809 /nfs/dbraw/zinc/54/68/09/556546809.db2.gz WBSUFQOBHJNBMS-VWLOTQADSA-N 0 0 429.951 6.618 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000015725211 556546812 /nfs/dbraw/zinc/54/68/12/556546812.db2.gz CKINLVMSZZCAFB-AREMUKBSSA-N 0 0 443.978 6.926 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1C)[C@H]3c1ccc(F)cc1 ZINC000015725422 556546899 /nfs/dbraw/zinc/54/68/99/556546899.db2.gz WVOILFABTIPMGD-SANMLTNESA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1C)[C@@H]3c1ccc(C)cc1 ZINC000015725477 556547104 /nfs/dbraw/zinc/54/71/04/556547104.db2.gz CCJDHPOROHTSGF-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000015725443 556547140 /nfs/dbraw/zinc/54/71/40/556547140.db2.gz VBMTUBKNXJLLTO-HHHXNRCGSA-N 0 0 439.559 6.227 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(F)cc1F)[C@H]3c1ccc(C)cc1 ZINC000015725554 556547142 /nfs/dbraw/zinc/54/71/42/556547142.db2.gz ACCSFAKSLJUUKZ-VWLOTQADSA-N 0 0 447.485 5.943 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(F)ccc1F)[C@@H]3c1ccc(C)cc1 ZINC000015725530 556547150 /nfs/dbraw/zinc/54/71/50/556547150.db2.gz ZOVPMMYNJVUNEE-RUZDIDTESA-N 0 0 447.485 5.943 50 0 IKAARN COc1cc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC ZINC000032721997 556547352 /nfs/dbraw/zinc/54/73/52/556547352.db2.gz BFFCBBGQSLYNDL-HOTGVXAUSA-N 0 0 426.538 5.235 50 0 IKAARN COc1cc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC ZINC000032721996 556547380 /nfs/dbraw/zinc/54/73/80/556547380.db2.gz BFFCBBGQSLYNDL-CVEARBPZSA-N 0 0 426.538 5.235 50 0 IKAARN COc1cccc(CCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c1OC ZINC000032721815 556547408 /nfs/dbraw/zinc/54/74/08/556547408.db2.gz INRANNKFHJQYOH-BSWOLJSYSA-N 0 0 427.544 5.050 50 0 IKAARN Cc1cc(-c2csc(NC(=O)C3CCOCC3)n2)c(C)n1Cc1ccccc1Cl ZINC000032722112 556547782 /nfs/dbraw/zinc/54/77/82/556547782.db2.gz KXCOTNVDDZCEAT-UHFFFAOYSA-N 0 0 429.973 5.295 50 0 IKAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000032722712 556547981 /nfs/dbraw/zinc/54/79/81/556547981.db2.gz TXJNUYFEXRMNFO-UHFFFAOYSA-N 0 0 432.501 5.121 50 0 IKAARN COc1ccc2ccccc2c1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cc(Cl)ccc1C ZINC000015746505 556548222 /nfs/dbraw/zinc/54/82/22/556548222.db2.gz UKBFFYZSINLRMY-JOCHJYFZSA-N 0 0 435.911 5.077 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1-c1ccccc1)C1c3ccccc3C2c2ccccc21 ZINC000015746764 556548451 /nfs/dbraw/zinc/54/84/51/556548451.db2.gz OEPPHIJRYCFPFY-SALAOISXSA-N 0 0 427.503 5.750 50 0 IKAARN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCCC1 ZINC000032905429 556548534 /nfs/dbraw/zinc/54/85/34/556548534.db2.gz MVPMPCDAWHKSTD-UHFFFAOYSA-N 0 0 442.503 5.151 50 0 IKAARN O=C(NCCc1ccccc1)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778773 556550856 /nfs/dbraw/zinc/55/08/56/556550856.db2.gz BWHNUQKMOUTSLS-OAQYLSRUSA-N 0 0 432.911 5.021 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1Cl ZINC000032997020 556550824 /nfs/dbraw/zinc/55/08/24/556550824.db2.gz UGXOMGFUJNWCRE-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1C)N(C(=O)CC)c1ccccc1-2 ZINC000032997087 556550887 /nfs/dbraw/zinc/55/08/87/556550887.db2.gz PKSFBPAYYWKKRN-DEOSSOPVSA-N 0 0 448.592 5.882 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(CC)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997092 556550902 /nfs/dbraw/zinc/55/09/02/556550902.db2.gz BDFIUILPGVNVSC-XMMPIXPASA-N 0 0 448.592 5.827 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997017 556550909 /nfs/dbraw/zinc/55/09/09/556550909.db2.gz NVCLUWHPZJQBBD-UHFFFAOYSA-N 0 0 436.849 6.071 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997036 556550916 /nfs/dbraw/zinc/55/09/16/556550916.db2.gz HKTCQKNXMXRBMI-UHFFFAOYSA-N 0 0 428.923 5.513 50 0 IKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)nn2)cc1 ZINC000032997001 556550927 /nfs/dbraw/zinc/55/09/27/556550927.db2.gz PJUSGSVHYJMIDL-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997228 556551048 /nfs/dbraw/zinc/55/10/48/556551048.db2.gz BLRKHIDAJGOVBV-HSZRJFAPSA-N 0 0 434.565 5.608 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(C)c(C)c1 ZINC000032997406 556551403 /nfs/dbraw/zinc/55/14/03/556551403.db2.gz RFYMSEVVWDXECL-HSZRJFAPSA-N 0 0 434.565 5.348 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccccc1Cl ZINC000032997380 556551441 /nfs/dbraw/zinc/55/14/41/556551441.db2.gz UIWJLCZTYGJPQO-OAQYLSRUSA-N 0 0 440.956 5.384 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(C)c(C)c1 ZINC000032997323 556551471 /nfs/dbraw/zinc/55/14/71/556551471.db2.gz UPAFWOGSZFTKNJ-XMMPIXPASA-N 0 0 448.592 5.738 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997640 556551704 /nfs/dbraw/zinc/55/17/04/556551704.db2.gz DKTMEMACUQVYLC-XMMPIXPASA-N 0 0 448.592 5.800 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997662 556551728 /nfs/dbraw/zinc/55/17/28/556551728.db2.gz LQNRSHWWXARCQI-OAQYLSRUSA-N 0 0 440.956 5.365 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(F)cc1 ZINC000032997551 556551770 /nfs/dbraw/zinc/55/17/70/556551770.db2.gz JMDJDJOFDJYUOV-QFIPXVFZSA-N 0 0 438.528 5.178 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)c(C)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997682 556551775 /nfs/dbraw/zinc/55/17/75/556551775.db2.gz HJGWQSZSEOHDKL-HSZRJFAPSA-N 0 0 434.565 5.328 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@@H]1c1ccc(C)cc1 ZINC000032998035 556551905 /nfs/dbraw/zinc/55/19/05/556551905.db2.gz WFZGOICMCWGKSM-XMMPIXPASA-N 0 0 448.592 5.738 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@@H]1c1ccccc1C ZINC000032998027 556551980 /nfs/dbraw/zinc/55/19/80/556551980.db2.gz SGRNTBVFWFGKDQ-XMMPIXPASA-N 0 0 448.592 5.738 50 0 IKAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(CC)cc1 ZINC000032998123 556552241 /nfs/dbraw/zinc/55/22/41/556552241.db2.gz ZUBJBGNAGURXGC-OAQYLSRUSA-N 0 0 440.956 5.311 50 0 IKAARN CSc1ccc([C@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)cc1 ZINC000032998209 556552244 /nfs/dbraw/zinc/55/22/44/556552244.db2.gz XSUGVRNYGGMGFF-LJQANCHMSA-N 0 0 444.969 5.080 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@@H]1c1cccc(C)c1 ZINC000032998046 556552275 /nfs/dbraw/zinc/55/22/75/556552275.db2.gz UFVVLLDFJMZBPT-XMMPIXPASA-N 0 0 448.592 5.738 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cc(F)ccc1F)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998103 556552281 /nfs/dbraw/zinc/55/22/81/556552281.db2.gz MYKGLYPXXYLYET-LJQANCHMSA-N 0 0 448.882 5.026 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000015799813 556552406 /nfs/dbraw/zinc/55/24/06/556552406.db2.gz GYFBUEBFWJPEMW-RMKNXTFCSA-N 0 0 430.332 5.842 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000015799829 556552451 /nfs/dbraw/zinc/55/24/51/556552451.db2.gz OLWMUFBRWIAPFP-UHFFFAOYSA-N 0 0 430.504 6.248 50 0 IKAARN Cc1c(-c2cc(C(=O)N3CCCCCC3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998746 556552548 /nfs/dbraw/zinc/55/25/48/556552548.db2.gz GXQIZFSBTJXNDV-UHFFFAOYSA-N 0 0 438.575 6.029 50 0 IKAARN CCCCNC(=O)c1cc(-c2cnn(-c3ccc(C(C)C)cc3)c2C)nc2ccccc21 ZINC000032998683 556552563 /nfs/dbraw/zinc/55/25/63/556552563.db2.gz DVSZTFJIBHNIJL-UHFFFAOYSA-N 0 0 426.564 6.049 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)c(Cl)c1 ZINC000015799837 556552729 /nfs/dbraw/zinc/55/27/29/556552729.db2.gz VJDIBCIVGGHSPT-UHFFFAOYSA-N 0 0 432.159 6.984 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2cccc(C)c2C)n(C)c3=O)cc1 ZINC000033022355 556552984 /nfs/dbraw/zinc/55/29/84/556552984.db2.gz PVBMYKBCQRRBNA-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000032906515 556553080 /nfs/dbraw/zinc/55/30/80/556553080.db2.gz BOARIQCWMQKCQO-UHFFFAOYSA-N 0 0 436.515 5.028 50 0 IKAARN CCOc1cc(C=C2SC(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000015800509 556553094 /nfs/dbraw/zinc/55/30/94/556553094.db2.gz WKTSAJPYPNTISV-UNOMPAQXSA-N 0 0 447.940 5.137 50 0 IKAARN CC[C@H](C)c1ccc([C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 ZINC000032906596 556553426 /nfs/dbraw/zinc/55/34/26/556553426.db2.gz MNXVFMVXAVTYON-QLXKLKPCSA-N 0 0 448.588 5.431 50 0 IKAARN CCOc1ccc(S(=O)(=O)N[C@@H](CC)C23CC4CC(CC(C4)C2)C3)c2ccccc12 ZINC000004578106 556553576 /nfs/dbraw/zinc/55/35/76/556553576.db2.gz LFZCMAXZQHFDRZ-YWYXCBQBSA-N 0 0 427.610 5.512 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033048621 556553639 /nfs/dbraw/zinc/55/36/39/556553639.db2.gz ROLLFGBPPTVQLA-JOCHJYFZSA-N 0 0 429.495 5.693 50 0 IKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000033048662 556553661 /nfs/dbraw/zinc/55/36/61/556553661.db2.gz FZKKLECRIJHIGG-LJQANCHMSA-N 0 0 441.384 5.414 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 ZINC000015822923 556554285 /nfs/dbraw/zinc/55/42/85/556554285.db2.gz FLRSGPAVZOASSZ-UHFFFAOYSA-N 0 0 435.480 5.159 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832107 556554874 /nfs/dbraw/zinc/55/48/74/556554874.db2.gz RZTNUFWCVBPRJS-UHFFFAOYSA-N 0 0 439.309 5.665 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)c3sc4ccccc4c3Cl)cs2)cc1 ZINC000015832794 556554878 /nfs/dbraw/zinc/55/48/78/556554878.db2.gz ISXKTBURIJDROY-UHFFFAOYSA-N 0 0 428.966 5.659 50 0 IKAARN Cc1c2ccc(Br)cc2oc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832116 556554944 /nfs/dbraw/zinc/55/49/44/556554944.db2.gz JJNDHKXOMASEAS-UHFFFAOYSA-N 0 0 439.309 5.665 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C(C)C)cc3)no2)cc1F ZINC000015833980 556555240 /nfs/dbraw/zinc/55/52/40/556555240.db2.gz CKGFAJPWLDYNJL-UHFFFAOYSA-N 0 0 432.495 6.348 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000033115659 556555735 /nfs/dbraw/zinc/55/57/35/556555735.db2.gz POPXXFYOXORITF-SANMLTNESA-N 0 0 428.557 5.388 50 0 IKAARN O=C(Cc1cccs1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033115680 556555742 /nfs/dbraw/zinc/55/57/42/556555742.db2.gz LJCAYEGLTCDPCS-RUZDIDTESA-N 0 0 444.625 6.153 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccccc2C)cc1 ZINC000033115639 556555765 /nfs/dbraw/zinc/55/57/65/556555765.db2.gz KJUSXSLAYJGTDV-SANMLTNESA-N 0 0 428.557 5.388 50 0 IKAARN Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000015842292 556556976 /nfs/dbraw/zinc/55/69/76/556556976.db2.gz URLDCCROIZLGOD-UHFFFAOYSA-N 0 0 432.325 5.423 50 0 IKAARN Clc1ccc(-c2nnc(SC[C@@H]3CSc4nnc(-c5ccccc5)n43)o2)cc1 ZINC000032906000 556557350 /nfs/dbraw/zinc/55/73/50/556557350.db2.gz SFRNUGKCCHACSJ-HNNXBMFYSA-N 0 0 427.942 5.088 50 0 IKAARN CCc1ccc(-n2ncc(-c3cc(C(=O)NCc4cccnc4)c4ccccc4n3)c2C)cc1 ZINC000033258085 556557375 /nfs/dbraw/zinc/55/73/75/556557375.db2.gz DEUPXPGNMKCUQB-UHFFFAOYSA-N 0 0 447.542 5.283 50 0 IKAARN C[C@H](C(=O)NCc1noc(-c2ccccc2)n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000013682116 556557472 /nfs/dbraw/zinc/55/74/72/556557472.db2.gz UUBNEQLQBUIWAY-AWEZNQCLSA-N 0 0 430.895 5.444 50 0 IKAARN COc1cc(Cl)ccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266254 556557654 /nfs/dbraw/zinc/55/76/54/556557654.db2.gz AOCFHQSYHDKHRW-FQEVSTJZSA-N 0 0 437.858 5.057 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccco4)ccc3Cl)oc2c1 ZINC000015856565 556557615 /nfs/dbraw/zinc/55/76/15/556557615.db2.gz SSIORMWJTZUYQZ-RMKNXTFCSA-N 0 0 437.908 5.576 50 0 IKAARN CC(C)c1ccccc1OCC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266271 556557662 /nfs/dbraw/zinc/55/76/62/556557662.db2.gz YWWARSQELGFVBT-XMMPIXPASA-N 0 0 445.494 5.284 50 0 IKAARN O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)NCC1(c2ccccc2)CCOCC1 ZINC000013682963 556557885 /nfs/dbraw/zinc/55/78/85/556557885.db2.gz ZNHNSVVPVGPFFS-QHCPKHFHSA-N 0 0 449.978 5.432 50 0 IKAARN O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NCC1(c2ccccc2)CCOCC1 ZINC000013682968 556557919 /nfs/dbraw/zinc/55/79/19/556557919.db2.gz ZNHNSVVPVGPFFS-HSZRJFAPSA-N 0 0 449.978 5.432 50 0 IKAARN Cc1c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cnn1-c1ccccc1C ZINC000072306551 556558027 /nfs/dbraw/zinc/55/80/27/556558027.db2.gz PLTIAKKRTYMTRV-DEOSSOPVSA-N 0 0 427.552 5.397 50 0 IKAARN O=C(Nc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Sc1ccccc1 ZINC000015860669 556558746 /nfs/dbraw/zinc/55/87/46/556558746.db2.gz PLVHHXIJCLUFBY-UHFFFAOYSA-N 0 0 447.560 6.312 50 0 IKAARN CCS(=O)(=O)N1CCC(c2c(C)n(Cc3cccc(Cl)c3)c3ccccc32)CC1 ZINC000015863103 556558777 /nfs/dbraw/zinc/55/87/77/556558777.db2.gz PGMZCVDHTBWRRG-UHFFFAOYSA-N 0 0 431.001 5.181 50 0 IKAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc2ccccc2c1 ZINC000015867198 556559439 /nfs/dbraw/zinc/55/94/39/556559439.db2.gz NGNVLVGZPXMAER-UHFFFAOYSA-N 0 0 446.557 5.696 50 0 IKAARN COc1cc(NC(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc(OC)c1 ZINC000015869115 556559687 /nfs/dbraw/zinc/55/96/87/556559687.db2.gz ZQBPLGXBLACMDP-UHFFFAOYSA-N 0 0 429.476 5.978 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2Sc2nc(Cl)nn2CCc2ccccc2)cc1 ZINC000015869082 556559725 /nfs/dbraw/zinc/55/97/25/556559725.db2.gz VXRIXPQPWIGKBT-UHFFFAOYSA-N 0 0 448.979 5.886 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000015869144 556559913 /nfs/dbraw/zinc/55/99/13/556559913.db2.gz XIDCYYJWLGWGRE-UHFFFAOYSA-N 0 0 425.897 5.166 50 0 IKAARN CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)nc1-c1ccccc1 ZINC000072307386 556562322 /nfs/dbraw/zinc/56/23/22/556562322.db2.gz MZZQYPQJNHMXKD-OAQYLSRUSA-N 0 0 438.549 5.021 50 0 IKAARN COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1OC ZINC000015905993 556562636 /nfs/dbraw/zinc/56/26/36/556562636.db2.gz VOOADTMWIVUBID-UHFFFAOYSA-N 0 0 430.554 6.512 50 0 IKAARN Cc1cc(C)cc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 ZINC000015911082 556562878 /nfs/dbraw/zinc/56/28/78/556562878.db2.gz LHMJWAHUPJGTRV-UHFFFAOYSA-N 0 0 439.540 5.459 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000015911432 556563065 /nfs/dbraw/zinc/56/30/65/556563065.db2.gz BEHJFAPVQMRPCB-LJQANCHMSA-N 0 0 431.458 5.270 50 0 IKAARN O=C(COc1ccc(F)cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000015911398 556563084 /nfs/dbraw/zinc/56/30/84/556563084.db2.gz CEWOUJXBIICTQR-SFHVURJKSA-N 0 0 433.266 5.482 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000015911434 556563095 /nfs/dbraw/zinc/56/30/95/556563095.db2.gz BEHJFAPVQMRPCB-IBGZPJMESA-N 0 0 431.458 5.270 50 0 IKAARN COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1 ZINC000032908406 556564919 /nfs/dbraw/zinc/56/49/19/556564919.db2.gz 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CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(O)c(OC)c2)N3)C1 ZINC000015946217 556567061 /nfs/dbraw/zinc/56/70/61/556567061.db2.gz CNQLMTYELNUCMS-RNODOKPDSA-N 0 0 430.570 5.441 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(O)c(OC)c2)N3)C1 ZINC000015946213 556567074 /nfs/dbraw/zinc/56/70/74/556567074.db2.gz CNQLMTYELNUCMS-RBZFPXEDSA-N 0 0 430.570 5.441 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000015945748 556567081 /nfs/dbraw/zinc/56/70/81/556567081.db2.gz VORJTHCALATLOZ-WYRIXSBYSA-N 0 0 432.973 6.100 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc(Cl)c1O ZINC000015946256 556567316 /nfs/dbraw/zinc/56/73/16/556567316.db2.gz PGDJIJHLTGKWCX-ZUOKHONESA-N 0 0 449.016 6.476 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2ccccc2F)C1 ZINC000015946889 556567785 /nfs/dbraw/zinc/56/77/85/556567785.db2.gz GQTWJQYRXHQENH-INIZCTEOSA-N 0 0 443.588 5.079 50 0 IKAARN COc1cc(OC)c(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1Cl ZINC000032960451 556567817 /nfs/dbraw/zinc/56/78/17/556567817.db2.gz FCTKNYVVMJEMLL-UHFFFAOYSA-N 0 0 444.869 5.730 50 0 IKAARN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000015947390 556568072 /nfs/dbraw/zinc/56/80/72/556568072.db2.gz FZPAUWNOUMTNBQ-HXUWFJFHSA-N 0 0 444.387 6.042 50 0 IKAARN Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(NCc3cccc(Br)c3)c12 ZINC000032960478 556568192 /nfs/dbraw/zinc/56/81/92/556568192.db2.gz HTFBGOYCJQSPJN-UHFFFAOYSA-N 0 0 443.295 5.690 50 0 IKAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1OC(=O)c1ccco1 ZINC000015947507 556568380 /nfs/dbraw/zinc/56/83/80/556568380.db2.gz DSHDFUDUMXINMD-MPBGBICISA-N 0 0 438.505 5.123 50 0 IKAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1OCc1ccccc1 ZINC000015947669 556568638 /nfs/dbraw/zinc/56/86/38/556568638.db2.gz SUSJHEJVLLRLIP-IQMFZBJNSA-N 0 0 434.561 5.889 50 0 IKAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(Br)c1OC ZINC000015947680 556568695 /nfs/dbraw/zinc/56/86/95/556568695.db2.gz QPICGJYSQHRQCU-HUTHGQBESA-N 0 0 437.359 5.082 50 0 IKAARN COc1cc(OC)c(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1Cl ZINC000015948987 556568891 /nfs/dbraw/zinc/56/88/91/556568891.db2.gz UAHMATTVQWMAMY-UHFFFAOYSA-N 0 0 427.953 5.819 50 0 IKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1F ZINC000032960555 556569386 /nfs/dbraw/zinc/56/93/86/556569386.db2.gz QTMUPTNAODOPGA-UHFFFAOYSA-N 0 0 435.502 6.202 50 0 IKAARN COc1cc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(OC)cc1Cl ZINC000015970107 556569661 /nfs/dbraw/zinc/56/96/61/556569661.db2.gz JMQKMJIGIOHRLD-UHFFFAOYSA-N 0 0 449.890 5.691 50 0 IKAARN COc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)cc1Cl ZINC000015970614 556569740 /nfs/dbraw/zinc/56/97/40/556569740.db2.gz WKCQNGTWESZWGO-UHFFFAOYSA-N 0 0 427.728 5.647 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)c1 ZINC000015979712 556570622 /nfs/dbraw/zinc/57/06/22/556570622.db2.gz SJQMGTWWNVPJQM-UHFFFAOYSA-N 0 0 445.997 5.476 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)nc2ccccc21 ZINC000032960795 556571031 /nfs/dbraw/zinc/57/10/31/556571031.db2.gz DKKZIHJALISGSS-UHFFFAOYSA-N 0 0 442.950 6.228 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)nc2ccccc21 ZINC000032960785 556571114 /nfs/dbraw/zinc/57/11/14/556571114.db2.gz UYPWBEIEUMHTQR-UHFFFAOYSA-N 0 0 441.560 5.545 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000032961091 556571490 /nfs/dbraw/zinc/57/14/90/556571490.db2.gz KTOWXNLONASVMZ-UHFFFAOYSA-N 0 0 437.908 5.220 50 0 IKAARN CC(=O)N(c1nc(CN(C2CC2)[C@@H]2CCCOc3cc(C)c(C)cc32)cs1)C1CC1 ZINC000072309433 556571499 /nfs/dbraw/zinc/57/14/99/556571499.db2.gz JJONUXMINOHGGJ-JOCHJYFZSA-N 0 0 425.598 5.154 50 0 IKAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1 ZINC000015987402 556571498 /nfs/dbraw/zinc/57/14/98/556571498.db2.gz UMTMHTSTSIDAHK-XMUSRXTASA-N 0 0 437.565 5.684 50 0 IKAARN COc1cc2c(cc1OCc1ccccc1)ncnc2Oc1ccc2[nH]c(C)cc2c1F ZINC000034323887 556572147 /nfs/dbraw/zinc/57/21/47/556572147.db2.gz FAUIFGUQBUATLA-UHFFFAOYSA-N 0 0 429.451 5.939 50 0 IKAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 ZINC000015999284 556572407 /nfs/dbraw/zinc/57/24/07/556572407.db2.gz MIZXUVKJOMJXDA-CQSZACIVSA-N 0 0 429.995 5.334 50 0 IKAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1Oc1ccccc1 ZINC000016009010 556573274 /nfs/dbraw/zinc/57/32/74/556573274.db2.gz PYZNARFWNVEUHL-UHFFFAOYSA-N 0 0 426.266 5.265 50 0 IKAARN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCC(=O)c1ccc2ccccc2c1 ZINC000000816285 556573505 /nfs/dbraw/zinc/57/35/05/556573505.db2.gz PSWCMRUPQIMNNA-UHFFFAOYSA-N 0 0 447.494 5.670 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(Cl)c(Br)c1O ZINC000001130299 556573735 /nfs/dbraw/zinc/57/37/35/556573735.db2.gz FCVHDAUZRFDGAP-GFCCVEGCSA-N 0 0 432.701 5.444 50 0 IKAARN S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCCC1 ZINC000001163254 556574198 /nfs/dbraw/zinc/57/41/98/556574198.db2.gz MPSXFTAQJGENLM-UHFFFAOYSA-N 0 0 440.576 5.327 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2ccc(Br)s2)nc1-c1ccccc1 ZINC000001201272 556574421 /nfs/dbraw/zinc/57/44/21/556574421.db2.gz JOKRZAGUPZQNME-UHFFFAOYSA-N 0 0 437.340 5.063 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 ZINC000001208050 556574445 /nfs/dbraw/zinc/57/44/45/556574445.db2.gz GTPXNUQYMZDRIA-UHFFFAOYSA-N 0 0 439.309 5.271 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)cc1 ZINC000016019567 556574754 /nfs/dbraw/zinc/57/47/54/556574754.db2.gz LYMAABPLKPCYQR-UHFFFAOYSA-N 0 0 448.573 5.356 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000016033389 556576745 /nfs/dbraw/zinc/57/67/45/556576745.db2.gz OTNJZKCUWMEFEG-XHDPSFHLSA-N 0 0 446.400 6.281 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1coc(-c2ccccc2)n1)C(F)(F)F ZINC000072310742 556576753 /nfs/dbraw/zinc/57/67/53/556576753.db2.gz XKNOWOLUMVPHOX-FQEVSTJZSA-N 0 0 441.409 5.605 50 0 IKAARN COc1ccc(Oc2cc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)ccc2OC)cc1 ZINC000032909716 556576793 /nfs/dbraw/zinc/57/67/93/556576793.db2.gz JBYIXWQQHHRIPX-UHFFFAOYSA-N 0 0 448.475 5.247 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCCN(Cc2coc4ccc(Cl)cc4c2=O)[C@H]3CCC1 ZINC000022078073 556577800 /nfs/dbraw/zinc/57/78/00/556577800.db2.gz DESGKTCCECPWDI-QHCPKHFHSA-N 0 0 432.951 5.993 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1NC(C)=O ZINC000032909963 556578008 /nfs/dbraw/zinc/57/80/08/556578008.db2.gz ZIKFGQLTYSAAHR-UHFFFAOYSA-N 0 0 447.516 5.339 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000016039416 556578084 /nfs/dbraw/zinc/57/80/84/556578084.db2.gz JDQHBPWQKKQQIU-FZKQIMNGSA-N 0 0 448.589 5.029 50 0 IKAARN CCN(CC)c1nc(Nc2cccc(Br)c2)nc(Nc2cc(C)ccc2C)n1 ZINC000022339864 556578208 /nfs/dbraw/zinc/57/82/08/556578208.db2.gz JZAPLZLPESUNCL-UHFFFAOYSA-N 0 0 441.377 5.584 50 0 IKAARN O=c1nc(C(Cl)=Cc2ccc(Br)cc2)[nH]c2scc(-c3cccs3)c21 ZINC000016043701 556578296 /nfs/dbraw/zinc/57/82/96/556578296.db2.gz BLDRURCLUSZMEJ-JYRVWZFOSA-N 0 0 449.782 6.213 50 0 IKAARN CN(C)c1ccc(Sc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002977597 556578547 /nfs/dbraw/zinc/57/85/47/556578547.db2.gz UMDMZZZCJHLNGU-UHFFFAOYSA-N 0 0 440.381 5.706 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000003629459 556578996 /nfs/dbraw/zinc/57/89/96/556578996.db2.gz IOSZXYJIXOYYCQ-UHFFFAOYSA-N 0 0 438.409 5.178 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000016046134 556579895 /nfs/dbraw/zinc/57/98/95/556579895.db2.gz JFMIPYIQRPHMAN-SUMWQHHRSA-N 0 0 428.558 5.095 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000016046136 556579903 /nfs/dbraw/zinc/57/99/03/556579903.db2.gz JFMIPYIQRPHMAN-GUYCJALGSA-N 0 0 428.558 5.095 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1 ZINC000034713113 556581205 /nfs/dbraw/zinc/58/12/05/556581205.db2.gz CTUFHVGNOQZGDF-QGZVFWFLSA-N 0 0 446.931 5.090 50 0 IKAARN COc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1 ZINC000071327653 556581214 /nfs/dbraw/zinc/58/12/14/556581214.db2.gz YUOZFTIWRCCDLZ-UHFFFAOYSA-N 0 0 442.993 5.655 50 0 IKAARN CC(C)CNC(=O)c1csc(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)n1 ZINC000034712128 556581254 /nfs/dbraw/zinc/58/12/54/556581254.db2.gz KYXKBSPMQHOLTQ-UHFFFAOYSA-N 0 0 434.483 5.794 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3F)cc2Cl)n1 ZINC000034713068 556581273 /nfs/dbraw/zinc/58/12/73/556581273.db2.gz OMLWDKTXMLBROC-MRXNPFEDSA-N 0 0 446.931 5.090 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1 ZINC000034713110 556581274 /nfs/dbraw/zinc/58/12/74/556581274.db2.gz WXJFDVRETLZWNL-UHFFFAOYSA-N 0 0 442.899 5.705 50 0 IKAARN COc1cc(-c2nc(C(=O)N(C)C(C)C)cs2)ccc1OCc1ccc(F)c(F)c1 ZINC000034717324 556581489 /nfs/dbraw/zinc/58/14/89/556581489.db2.gz CDURHPLWLHBJEQ-UHFFFAOYSA-N 0 0 432.492 5.156 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1 ZINC000034713471 556581522 /nfs/dbraw/zinc/58/15/22/556581522.db2.gz HXZNIEUHUVUEOJ-KRWDZBQOSA-N 0 0 446.931 5.090 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1 ZINC000034713315 556581532 /nfs/dbraw/zinc/58/15/32/556581532.db2.gz BTXSGVFHJYPRAK-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN COc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1OC ZINC000016070067 556581674 /nfs/dbraw/zinc/58/16/74/556581674.db2.gz ULJOOWPICAMKPZ-LJQANCHMSA-N 0 0 434.923 5.400 50 0 IKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)N(C)c4ccccc4)cs3)c(F)c2)c1 ZINC000034722980 556581671 /nfs/dbraw/zinc/58/16/71/556581671.db2.gz DDEPTEBEDBTPDQ-UHFFFAOYSA-N 0 0 432.520 6.113 50 0 IKAARN C[C@@H](c1ccccc1)N1CCCN(c2ccccc2NC(=O)c2c(F)cccc2F)C1=O ZINC000034735143 556581729 /nfs/dbraw/zinc/58/17/29/556581729.db2.gz QSYFYBBXLIZJNM-KRWDZBQOSA-N 0 0 435.474 5.610 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4cccnc4Cl)c3)C2=O)c1 ZINC000034735592 556581747 /nfs/dbraw/zinc/58/17/47/556581747.db2.gz PVSWQLVYRFLGJR-UHFFFAOYSA-N 0 0 448.954 5.436 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c(NC(=O)Cc2cccs2)c1 ZINC000034736041 556582046 /nfs/dbraw/zinc/58/20/46/556582046.db2.gz NCLYUBXERBYGEF-UHFFFAOYSA-N 0 0 437.540 5.209 50 0 IKAARN CC[C@]1(C)C[C@@](CCNC(=O)c2ccc(OCC(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000016115927 556584203 /nfs/dbraw/zinc/58/42/03/556584203.db2.gz UXYBJIUSAKZAAD-SXOMAYOGSA-N 0 0 441.587 5.898 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000016138143 556585139 /nfs/dbraw/zinc/58/51/39/556585139.db2.gz UBAUOLYGCCVNGT-UHFFFAOYSA-N 0 0 444.900 5.152 50 0 IKAARN CCc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1cccs1 ZINC000016157429 556586119 /nfs/dbraw/zinc/58/61/19/556586119.db2.gz NBHJSNAAMRWEDK-UHFFFAOYSA-N 0 0 446.597 6.852 50 0 IKAARN CCCCN(CCCC)C(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1Cl ZINC000016157992 556586121 /nfs/dbraw/zinc/58/61/21/556586121.db2.gz OEPWISCDVHZZAH-PTGBLXJZSA-N 0 0 442.987 5.548 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 ZINC000016162120 556586538 /nfs/dbraw/zinc/58/65/38/556586538.db2.gz RTQPCUQBYNMXJI-UHFFFAOYSA-N 0 0 428.536 5.578 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)ccc21 ZINC000016162946 556586757 /nfs/dbraw/zinc/58/67/57/556586757.db2.gz XBASIGWYCIMUJI-UHFFFAOYSA-N 0 0 441.534 7.282 50 0 IKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000016183886 556587475 /nfs/dbraw/zinc/58/74/75/556587475.db2.gz GUMPAUCPVAKWRN-UHFFFAOYSA-N 0 0 438.361 5.252 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4cccc(C)c4)cc3n2)cc1 ZINC000016193186 556589056 /nfs/dbraw/zinc/58/90/56/556589056.db2.gz UFDPPMDBFAYJPF-UHFFFAOYSA-N 0 0 448.954 5.742 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3cnccn32)c(C)c1 ZINC000035615785 556589336 /nfs/dbraw/zinc/58/93/36/556589336.db2.gz VXJCIWXJZWEQBE-UHFFFAOYSA-N 0 0 442.607 7.057 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)COc2cc(C)ccc2C(C)C)[C@H]3CCC1 ZINC000016214267 556591374 /nfs/dbraw/zinc/59/13/74/556591374.db2.gz BYRLEBUQASPPDN-RLWLMLJZSA-N 0 0 432.608 5.514 50 0 IKAARN O=C(NCc1ccccc1)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000036083159 556592677 /nfs/dbraw/zinc/59/26/77/556592677.db2.gz SIISJTQGFXYQPA-UHFFFAOYSA-N 0 0 430.335 5.076 50 0 IKAARN C[C@@H]1CN(C(=O)/C=C/c2cccc(Cl)c2)[C@H](C)CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000016226096 556592716 /nfs/dbraw/zinc/59/27/16/556592716.db2.gz LJADBZZIRPZWRT-SBOPJIEZSA-N 0 0 443.374 5.168 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)Cc1ccccc1 ZINC000036115031 556593082 /nfs/dbraw/zinc/59/30/82/556593082.db2.gz OSKVQOSWOMZCRO-UHFFFAOYSA-N 0 0 444.600 6.103 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccc(C)c1 ZINC000036106010 556593111 /nfs/dbraw/zinc/59/31/11/556593111.db2.gz LQBYDQKXZXKDHO-FQEVSTJZSA-N 0 0 436.621 6.397 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246793 556595300 /nfs/dbraw/zinc/59/53/00/556595300.db2.gz OZAAPPLBNZSFAQ-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)Nc2cccc(C)c2C)c1C ZINC000032974491 556595830 /nfs/dbraw/zinc/59/58/30/556595830.db2.gz SGJJPERWCKCEMX-UHFFFAOYSA-N 0 0 447.579 5.968 50 0 IKAARN CCOc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000032974954 556596783 /nfs/dbraw/zinc/59/67/83/556596783.db2.gz KQBLICXXWXVKGY-UHFFFAOYSA-N 0 0 439.559 5.495 50 0 IKAARN Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1NC(=O)c1ccccc1 ZINC000016282675 556596793 /nfs/dbraw/zinc/59/67/93/556596793.db2.gz ANKXFEVMHWLFIK-UHFFFAOYSA-N 0 0 442.559 6.313 50 0 IKAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NC2CCCCCC2)c1 ZINC000032974974 556596822 /nfs/dbraw/zinc/59/68/22/556596822.db2.gz FGGLLGRZOGDYLQ-UHFFFAOYSA-N 0 0 447.579 5.328 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036352182 556597016 /nfs/dbraw/zinc/59/70/16/556597016.db2.gz WBNUNZYJBJRCDJ-GMAHTHKFSA-N 0 0 443.761 7.198 50 0 IKAARN COc1ccccc1Oc1cc(C(C)C)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036349780 556597059 /nfs/dbraw/zinc/59/70/59/556597059.db2.gz FGYFPBIRXQDIBP-UHFFFAOYSA-N 0 0 434.483 6.712 50 0 IKAARN CCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(CC)s1)c1ccccc1Br ZINC000016286050 556597425 /nfs/dbraw/zinc/59/74/25/556597425.db2.gz ZSGZNZFHMYOEQZ-UHFFFAOYSA-N 0 0 449.801 6.863 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc(Br)cc3)=NN1[C@H](c1ccccc1)O2 ZINC000036372521 556597523 /nfs/dbraw/zinc/59/75/23/556597523.db2.gz IMALJVZAXDXOPP-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@@H]3CCC[C@H]32)cc1 ZINC000036377923 556597569 /nfs/dbraw/zinc/59/75/69/556597569.db2.gz QZEOZXJABDDEGH-QCENPCRXSA-N 0 0 427.591 8.372 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000036372526 556597574 /nfs/dbraw/zinc/59/75/74/556597574.db2.gz BIBZJKGBOKQILM-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCc2cccc(C)c2)c1 ZINC000032975066 556597776 /nfs/dbraw/zinc/59/77/76/556597776.db2.gz VPNWOTQMQOPZRJ-UHFFFAOYSA-N 0 0 443.522 5.244 50 0 IKAARN CCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C)c1-c1ccc(OC)c(OC)c1 ZINC000016293158 556598424 /nfs/dbraw/zinc/59/84/24/556598424.db2.gz QYGQRNVDOHKGNT-UHFFFAOYSA-N 0 0 431.554 5.436 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000032975178 556598465 /nfs/dbraw/zinc/59/84/65/556598465.db2.gz CWQZIYRONBBFHH-UHFFFAOYSA-N 0 0 435.286 5.594 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000016293420 556598712 /nfs/dbraw/zinc/59/87/12/556598712.db2.gz SPARNKMLCWCYDL-OAQYLSRUSA-N 0 0 439.577 5.003 50 0 IKAARN CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1SC(C)C ZINC000036646026 556599667 /nfs/dbraw/zinc/59/96/67/556599667.db2.gz SVGUBODIDMPKOR-UHFFFAOYSA-N 0 0 426.563 5.035 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)cc1 ZINC000016310557 556599682 /nfs/dbraw/zinc/59/96/82/556599682.db2.gz XPCCAEIAXJJCNV-UHFFFAOYSA-N 0 0 442.540 5.715 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(N5CCCCCC5)cc4)no3)CC2=O)cc1C ZINC000032975352 556599780 /nfs/dbraw/zinc/59/97/80/556599780.db2.gz JIZHZFUIQBWJRK-OAQYLSRUSA-N 0 0 430.552 5.254 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 ZINC000016319557 556600084 /nfs/dbraw/zinc/60/00/84/556600084.db2.gz OFWQMMRXOGBWJN-QHCPKHFHSA-N 0 0 426.472 5.035 50 0 IKAARN Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3ccc(Br)cc3F)c12 ZINC000032975757 556600438 /nfs/dbraw/zinc/60/04/38/556600438.db2.gz GJBNVZYQFBBYIZ-UHFFFAOYSA-N 0 0 447.258 5.961 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccc(F)cc2)s1)C(=O)Nc1ccccc1C(F)(F)F ZINC000016326319 556600748 /nfs/dbraw/zinc/60/07/48/556600748.db2.gz MAADPJDZMCRWPC-SNVBAGLBSA-N 0 0 442.463 5.559 50 0 IKAARN Cc1ccc2c(CSc3nnc(NCc4ccc(F)cc4)s3)cc(=O)oc2c1C ZINC000016335368 556600786 /nfs/dbraw/zinc/60/07/86/556600786.db2.gz GLTIBEBOTVICBX-UHFFFAOYSA-N 0 0 427.526 5.305 50 0 IKAARN CC(C)(C)c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000016323323 556600824 /nfs/dbraw/zinc/60/08/24/556600824.db2.gz KOJGXMWOTUVHPI-UHFFFAOYSA-N 0 0 425.323 5.391 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccc(F)cc2)s1)C(=O)Nc1ccccc1C(F)(F)F ZINC000016326320 556600841 /nfs/dbraw/zinc/60/08/41/556600841.db2.gz MAADPJDZMCRWPC-JTQLQIEISA-N 0 0 442.463 5.559 50 0 IKAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000016346240 556601366 /nfs/dbraw/zinc/60/13/66/556601366.db2.gz VWRBOLSEYZVIQQ-UHFFFAOYSA-N 0 0 442.953 5.473 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016346526 556601434 /nfs/dbraw/zinc/60/14/34/556601434.db2.gz YPEKZROJRZEEHW-UHFFFAOYSA-N 0 0 435.955 5.288 50 0 IKAARN COc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037285162 556601476 /nfs/dbraw/zinc/60/14/76/556601476.db2.gz GDPAUWBYWRWWHV-UHFFFAOYSA-N 0 0 445.331 5.564 50 0 IKAARN COc1ccc(CCNC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1OC ZINC000016346610 556601534 /nfs/dbraw/zinc/60/15/34/556601534.db2.gz WRFQLAGKBKSAOM-UHFFFAOYSA-N 0 0 436.533 5.141 50 0 IKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1Br ZINC000016347589 556601823 /nfs/dbraw/zinc/60/18/23/556601823.db2.gz DFHUOOLHOILCQR-UHFFFAOYSA-N 0 0 436.309 5.562 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983471 556602048 /nfs/dbraw/zinc/60/20/48/556602048.db2.gz LDYGDFIQPQRFNG-NHDPSOOVSA-N 0 0 439.298 5.295 50 0 IKAARN C[C@@H]1CN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356904 556602118 /nfs/dbraw/zinc/60/21/18/556602118.db2.gz GLONABCHWFBQET-MRXNPFEDSA-N 0 0 446.954 5.069 50 0 IKAARN CC(C)CNC(=O)CCN(CC(C)C)c1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000037384556 556602279 /nfs/dbraw/zinc/60/22/79/556602279.db2.gz ZIRQCEDQCVIBGA-UHFFFAOYSA-N 0 0 439.003 5.575 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983811 556602665 /nfs/dbraw/zinc/60/26/65/556602665.db2.gz XPMNCXRGBSSFCE-MTJSOVHGSA-N 0 0 439.298 5.295 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983898 556602713 /nfs/dbraw/zinc/60/27/13/556602713.db2.gz WRBFUFBBIYWHRF-OEAKJJBVSA-N 0 0 448.906 5.041 50 0 IKAARN O=C(CCn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)NCc1ccncc1 ZINC000037397331 556602910 /nfs/dbraw/zinc/60/29/10/556602910.db2.gz BCICMPBAIAHMBB-UHFFFAOYSA-N 0 0 439.346 5.035 50 0 IKAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc2ccccc2c(=O)n1C(C)C ZINC000032984659 556603827 /nfs/dbraw/zinc/60/38/27/556603827.db2.gz WRSMPYCKWXGEHR-UHFFFAOYSA-N 0 0 449.576 6.020 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000032984670 556603843 /nfs/dbraw/zinc/60/38/43/556603843.db2.gz PHXNCZFGLRMFOK-UHFFFAOYSA-N 0 0 433.577 6.007 50 0 IKAARN CNC(=O)c1ccc(CN(c2nc(-c3ccc(F)cc3)cs2)c2ccc(OC)cc2)o1 ZINC000037439313 556603858 /nfs/dbraw/zinc/60/38/58/556603858.db2.gz VLLOHDKJHRQMGT-UHFFFAOYSA-N 0 0 437.496 5.249 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000032984681 556604083 /nfs/dbraw/zinc/60/40/83/556604083.db2.gz CYSGUGTVKGOWDK-UHFFFAOYSA-N 0 0 449.576 5.467 50 0 IKAARN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000016383949 556604231 /nfs/dbraw/zinc/60/42/31/556604231.db2.gz XEEZMLDPEFTTRY-UHFFFAOYSA-N 0 0 449.403 5.827 50 0 IKAARN COc1cccc(NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2N2CCCCC2)c1 ZINC000032985113 556604495 /nfs/dbraw/zinc/60/44/95/556604495.db2.gz GMBGZTWMAOKILF-UHFFFAOYSA-N 0 0 445.441 5.612 50 0 IKAARN COc1ccc(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)cc1OC ZINC000016392097 556604526 /nfs/dbraw/zinc/60/45/26/556604526.db2.gz XXCJXVNVKBTZPX-UHFFFAOYSA-N 0 0 442.559 5.474 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1c(-c2ccc(C(F)(F)F)cc2)noc1N1CCCCC1 ZINC000032985114 556604560 /nfs/dbraw/zinc/60/45/60/556604560.db2.gz DLAWGCZSQACZAP-UHFFFAOYSA-N 0 0 449.860 6.256 50 0 IKAARN CC(C)(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccccc2Cl)n1 ZINC000037509898 556604571 /nfs/dbraw/zinc/60/45/71/556604571.db2.gz KFTSQOJADTWFEA-UHFFFAOYSA-N 0 0 428.941 6.241 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000032984859 556604813 /nfs/dbraw/zinc/60/48/13/556604813.db2.gz NUZKBSAZDHAWKD-UHFFFAOYSA-N 0 0 431.561 6.076 50 0 IKAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000016393709 556604966 /nfs/dbraw/zinc/60/49/66/556604966.db2.gz UCQZQROFAKWIFY-UHFFFAOYSA-N 0 0 434.964 5.414 50 0 IKAARN CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016393872 556605052 /nfs/dbraw/zinc/60/50/52/556605052.db2.gz MWYZYDZFLLZTMO-UHFFFAOYSA-N 0 0 440.540 5.002 50 0 IKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)cc1 ZINC000032985625 556605100 /nfs/dbraw/zinc/60/51/00/556605100.db2.gz AGRLOAURYXORKN-UHFFFAOYSA-N 0 0 426.516 6.051 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(-c2cccc(F)c2)o1 ZINC000016399185 556605227 /nfs/dbraw/zinc/60/52/27/556605227.db2.gz NRKMRIHMBDRWIP-UHFFFAOYSA-N 0 0 433.826 6.195 50 0 IKAARN COc1cc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)cc(OC)c1 ZINC000032985802 556605247 /nfs/dbraw/zinc/60/52/47/556605247.db2.gz OPWQLCZDDDFRPH-UHFFFAOYSA-N 0 0 432.451 5.076 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21 ZINC000032986406 556605934 /nfs/dbraw/zinc/60/59/34/556605934.db2.gz OFKVKXCLHCAYRT-UHFFFAOYSA-N 0 0 426.472 5.324 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cc(C)ccc3C)cc21 ZINC000032986489 556605959 /nfs/dbraw/zinc/60/59/59/556605959.db2.gz SVGKGVFKAGEJNR-UHFFFAOYSA-N 0 0 426.516 6.178 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cccc(C)c3C)cc21 ZINC000032986495 556606104 /nfs/dbraw/zinc/60/61/04/556606104.db2.gz ZRPWOURGXBVWJT-UHFFFAOYSA-N 0 0 426.516 6.178 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cccc(CC)c3)cc21 ZINC000032986609 556606255 /nfs/dbraw/zinc/60/62/55/556606255.db2.gz JGODXGICDNOHKD-UHFFFAOYSA-N 0 0 430.935 6.769 50 0 IKAARN Cc1ccccc1N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 ZINC000032986530 556606297 /nfs/dbraw/zinc/60/62/97/556606297.db2.gz BFLUMJYBIPFADK-UHFFFAOYSA-N 0 0 443.572 5.391 50 0 IKAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1c(F)cccc1Cl ZINC000032986837 556606475 /nfs/dbraw/zinc/60/64/75/556606475.db2.gz NEAITCSYNQSIHX-FQEVSTJZSA-N 0 0 437.323 5.448 50 0 IKAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccc(F)cc1 ZINC000032986841 556606479 /nfs/dbraw/zinc/60/64/79/556606479.db2.gz PCLHGBAXPVEEOP-FQEVSTJZSA-N 0 0 436.430 5.160 50 0 IKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 ZINC000016426476 556606504 /nfs/dbraw/zinc/60/65/04/556606504.db2.gz JVBWELXNXOFFES-UHFFFAOYSA-N 0 0 448.947 5.527 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc21 ZINC000032986729 556606514 /nfs/dbraw/zinc/60/65/14/556606514.db2.gz OIJPFAJMSRSHNT-UHFFFAOYSA-N 0 0 442.515 5.878 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000016426292 556606519 /nfs/dbraw/zinc/60/65/19/556606519.db2.gz VIOYXONBNBHSAK-UHFFFAOYSA-N 0 0 430.558 5.761 50 0 IKAARN CCOc1cc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc(OCC)c1OCC ZINC000016426445 556606526 /nfs/dbraw/zinc/60/65/26/556606526.db2.gz FABWLPUHVFYVBC-INIZCTEOSA-N 0 0 444.597 5.523 50 0 IKAARN CCOc1cc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc(OCC)c1OCC ZINC000016426448 556606559 /nfs/dbraw/zinc/60/65/59/556606559.db2.gz FABWLPUHVFYVBC-MRXNPFEDSA-N 0 0 444.597 5.523 50 0 IKAARN CCc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986968 556606728 /nfs/dbraw/zinc/60/67/28/556606728.db2.gz BKNAYOXREYLBEC-QHCPKHFHSA-N 0 0 426.969 5.260 50 0 IKAARN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(Cl)cc1Cl ZINC000016429658 556607284 /nfs/dbraw/zinc/60/72/84/556607284.db2.gz BTERCMJDMHYFBC-UHFFFAOYSA-N 0 0 429.781 6.501 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc(OCC)c1OCC ZINC000016447829 556608056 /nfs/dbraw/zinc/60/80/56/556608056.db2.gz RQVBFKQSJMWEFY-UHFFFAOYSA-N 0 0 445.519 5.450 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1OC ZINC000016448141 556608478 /nfs/dbraw/zinc/60/84/78/556608478.db2.gz CAVQRKJJNSHLJH-UHFFFAOYSA-N 0 0 438.568 5.889 50 0 IKAARN CCc1cc2c(ncnc2N2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)s1 ZINC000071890505 556608571 /nfs/dbraw/zinc/60/85/71/556608571.db2.gz CDSMQEFJBQYZSL-GOSISDBHSA-N 0 0 435.528 5.217 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1 ZINC000016448627 556608745 /nfs/dbraw/zinc/60/87/45/556608745.db2.gz DQEQCGUXRDLFPD-UHFFFAOYSA-N 0 0 442.906 6.179 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000016474429 556609915 /nfs/dbraw/zinc/60/99/15/556609915.db2.gz YXUXTGVWZCXDOV-ZSEMMOBPSA-N 0 0 444.501 5.242 50 0 IKAARN O=C(Nc1ccc(I)cc1F)c1cccc2c(Cl)cccc12 ZINC000016474192 556609927 /nfs/dbraw/zinc/60/99/27/556609927.db2.gz PAWWTCYWKJYTJL-UHFFFAOYSA-N 0 0 425.628 5.489 50 0 IKAARN Cc1cc(Sc2ccccc2NC(=O)c2ccco2)n2nc(-c3ccccc3)nc2n1 ZINC000032995788 556610933 /nfs/dbraw/zinc/61/09/33/556610933.db2.gz WVOCCXKBBHMVGK-UHFFFAOYSA-N 0 0 427.489 5.096 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1 ZINC000032995647 556610994 /nfs/dbraw/zinc/61/09/94/556610994.db2.gz NIODBZRZYWQDFX-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000032995861 556611378 /nfs/dbraw/zinc/61/13/78/556611378.db2.gz UPDHPCOHCOOYFR-UHFFFAOYSA-N 0 0 437.956 5.442 50 0 IKAARN COc1ccc([C@@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546903 556613713 /nfs/dbraw/zinc/61/37/13/556613713.db2.gz LKAPQNXXNVYJFS-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN CCOc1ccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547009 556613928 /nfs/dbraw/zinc/61/39/28/556613928.db2.gz ZOTMIVMCPHRVEJ-JOCHJYFZSA-N 0 0 433.533 5.897 50 0 IKAARN Cc1ccnc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)c1 ZINC000038547400 556613966 /nfs/dbraw/zinc/61/39/66/556613966.db2.gz AVZSLVDLFRGVAX-HSZRJFAPSA-N 0 0 444.560 5.772 50 0 IKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546943 556614012 /nfs/dbraw/zinc/61/40/12/556614012.db2.gz KOJWJPUCXMKIRO-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546945 556614042 /nfs/dbraw/zinc/61/40/42/556614042.db2.gz URQBUHUDCRNFQU-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1cccnc1)CCCC2)c1ccco1 ZINC000038547406 556614308 /nfs/dbraw/zinc/61/43/08/556614308.db2.gz NYLQLSWELHECOL-JOCHJYFZSA-N 0 0 430.533 5.464 50 0 IKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551003 556614350 /nfs/dbraw/zinc/61/43/50/556614350.db2.gz JZJYCINPOPYBCD-QHCPKHFHSA-N 0 0 431.536 6.353 50 0 IKAARN Cc1ccnc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)c1 ZINC000038547407 556614365 /nfs/dbraw/zinc/61/43/65/556614365.db2.gz UVBHNBIOBAEYIH-QHCPKHFHSA-N 0 0 444.560 5.772 50 0 IKAARN COc1ccccc1[C@H](Nc1cccc(C)n1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000038550995 556614396 /nfs/dbraw/zinc/61/43/96/556614396.db2.gz QLRWMAYSUAZQJJ-DEOSSOPVSA-N 0 0 443.572 6.222 50 0 IKAARN COc1ccccc1[C@H](Nc1cc(C)ccn1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000038550991 556614405 /nfs/dbraw/zinc/61/44/05/556614405.db2.gz AVLFZSOEOVVAMD-DEOSSOPVSA-N 0 0 443.572 6.222 50 0 IKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551024 556614566 /nfs/dbraw/zinc/61/45/66/556614566.db2.gz MYBBHAMWIJSPSR-XMMPIXPASA-N 0 0 427.573 6.522 50 0 IKAARN Cc1ccnc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2)c1 ZINC000038551039 556614630 /nfs/dbraw/zinc/61/46/30/556614630.db2.gz MYAQVWMLHKGVST-DEOSSOPVSA-N 0 0 443.572 6.377 50 0 IKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551026 556614725 /nfs/dbraw/zinc/61/47/25/556614725.db2.gz WHGNAFAWCYSPPK-XMMPIXPASA-N 0 0 427.573 6.522 50 0 IKAARN CCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1 ZINC000038600791 556615104 /nfs/dbraw/zinc/61/51/04/556615104.db2.gz PYKKANJFGGQIGF-UHFFFAOYSA-N 0 0 429.472 5.049 50 0 aggregator IKAARN CC(Cl)(Cl)C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000033656040 556618686 /nfs/dbraw/zinc/61/86/86/556618686.db2.gz QCAPEQMYXLSBQU-MRDJVHMOSA-N 0 0 449.328 6.282 50 0 IKAARN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(Cc4ccco4)c(=N)c32)cc1 ZINC000100557523 556619705 /nfs/dbraw/zinc/61/97/05/556619705.db2.gz TVZKPSIKBLOQJQ-QHCPKHFHSA-N 0 0 435.483 5.452 50 0 aggregator IKAARN CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000016639221 556619797 /nfs/dbraw/zinc/61/97/97/556619797.db2.gz USCWFUDJBCXVJQ-UHFFFAOYSA-N 0 0 436.964 7.048 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2ccco2)C(C)(C)C)s1 ZINC000033664076 556619967 /nfs/dbraw/zinc/61/99/67/556619967.db2.gz GOXJWRGZQCYLBX-UHFFFAOYSA-N 0 0 442.556 5.258 50 0 IKAARN O=c1cnnc(NC2CCCCCCCCCCC2)n1C1CCCCCCCCCCC1 ZINC000005010965 556621118 /nfs/dbraw/zinc/62/11/18/556621118.db2.gz XXVBJZKJQVHTLI-UHFFFAOYSA-N 0 0 444.708 7.569 50 0 IKAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248382 556621758 /nfs/dbraw/zinc/62/17/58/556621758.db2.gz XZDCQFGLZVSKBO-UHFFFAOYSA-N 0 0 440.323 5.537 50 0 IKAARN CN(C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CCCCC1 ZINC000033696968 556622290 /nfs/dbraw/zinc/62/22/90/556622290.db2.gz ATHDKIRCOCZWJP-MSUUIHNZSA-N 0 0 425.532 6.090 50 0 IKAARN S=C1N=NC(CCn2c3ccccc3c3ccccc32)N1c1ccc(Br)cc1 ZINC000016675937 556622403 /nfs/dbraw/zinc/62/24/03/556622403.db2.gz UNHGKDYTLYZRDT-UHFFFAOYSA-N 0 0 449.377 5.669 50 0 IKAARN COc1ccc(Br)cc1CN1CCCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000016677759 556622859 /nfs/dbraw/zinc/62/28/59/556622859.db2.gz AZPFDHDHNHCSMK-QFIPXVFZSA-N 0 0 439.397 6.004 50 0 IKAARN COc1ccc(CN2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1Br ZINC000016677763 556622868 /nfs/dbraw/zinc/62/28/68/556622868.db2.gz PZQUANBPMREISY-QFIPXVFZSA-N 0 0 439.397 6.004 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)CC(C)(C)C ZINC000036314244 556623297 /nfs/dbraw/zinc/62/32/97/556623297.db2.gz IJPGOVSCJDKTSO-LJQANCHMSA-N 0 0 427.589 5.050 50 0 IKAARN CC(=O)NCc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)s1 ZINC000016684501 556625164 /nfs/dbraw/zinc/62/51/64/556625164.db2.gz KSVOBKNPYINQKW-UHFFFAOYSA-N 0 0 447.585 5.212 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1 ZINC000032999051 556626715 /nfs/dbraw/zinc/62/67/15/556626715.db2.gz YASSAHKCRDAWCA-UHFFFAOYSA-N 0 0 427.529 5.253 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1 ZINC000032999008 556627094 /nfs/dbraw/zinc/62/70/94/556627094.db2.gz RUFBUHQYIRXFPS-LJQANCHMSA-N 0 0 441.556 5.183 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1F ZINC000032999172 556627334 /nfs/dbraw/zinc/62/73/34/556627334.db2.gz FCTTXJROSCUOFQ-UHFFFAOYSA-N 0 0 449.461 5.419 50 0 IKAARN C[C@@H](C(=O)c1ccccc1)N1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016698270 556629155 /nfs/dbraw/zinc/62/91/55/556629155.db2.gz MFTMGXVFBCJAAM-QFIPXVFZSA-N 0 0 442.559 5.566 50 0 IKAARN O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000016699341 556629413 /nfs/dbraw/zinc/62/94/13/556629413.db2.gz KNAHKFFKWCNXMC-AWEZNQCLSA-N 0 0 431.970 5.016 50 0 IKAARN CCOc1ccc2c(c1)[C@H](SCC(=O)N1C[C@@H](C)C[C@H](C)C1)CC1(CCCCC1)O2 ZINC000005065966 556629779 /nfs/dbraw/zinc/62/97/79/556629779.db2.gz FHSMBDPSZGZCQW-SFYKDHMMSA-N 0 0 431.642 5.850 50 0 IKAARN Cc1ccccc1/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccccc1C ZINC000016711471 556630026 /nfs/dbraw/zinc/63/00/26/556630026.db2.gz ABZCQTWCNXGMMS-BZZOAKBMSA-N 0 0 435.390 6.818 50 0 IKAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)cc3Cl)c(=O)oc2c1 ZINC000016707677 556630097 /nfs/dbraw/zinc/63/00/97/556630097.db2.gz PSQBXQBLYRFKDP-UHFFFAOYSA-N 0 0 434.717 5.397 50 0 IKAARN CSc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000033769723 556633296 /nfs/dbraw/zinc/63/32/96/556633296.db2.gz ZZIPCTGMEGXLKT-PXNMLYILSA-N 0 0 425.362 5.821 50 0 IKAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016736115 556633343 /nfs/dbraw/zinc/63/33/43/556633343.db2.gz RHQAAJHLXJDKIB-QHCPKHFHSA-N 0 0 429.903 5.543 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)nc1 ZINC000016736364 556633383 /nfs/dbraw/zinc/63/33/83/556633383.db2.gz SFJTUGPDVJAAHX-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000037382883 556633610 /nfs/dbraw/zinc/63/36/10/556633610.db2.gz BJXIJKRKFCYFKV-GNFOSXPUSA-N 0 0 440.996 5.654 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016737333 556633990 /nfs/dbraw/zinc/63/39/90/556633990.db2.gz IOVGVXPIQFBBJN-QHCPKHFHSA-N 0 0 426.472 5.035 50 0 IKAARN Nc1c2c(nn1-c1cc(F)ccc1F)nc(NCc1ccccc1)nc2-c1cccc(F)c1 ZINC000037375661 556633984 /nfs/dbraw/zinc/63/39/84/556633984.db2.gz GQNNQNXVHIWSBP-UHFFFAOYSA-N 0 0 446.436 5.094 50 0 IKAARN CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000016739440 556634209 /nfs/dbraw/zinc/63/42/09/556634209.db2.gz NLHHBFZBCHICLP-RDGATRHJSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000016739441 556634258 /nfs/dbraw/zinc/63/42/58/556634258.db2.gz NLHHBFZBCHICLP-RCZVLFRGSA-N 0 0 434.923 5.990 50 0 IKAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3ccccc3Cl)C2)cc1 ZINC000097938707 556634937 /nfs/dbraw/zinc/63/49/37/556634937.db2.gz FJOOOKJWLDJCNA-KRWDZBQOSA-N 0 0 447.926 5.239 50 0 IKAARN COc1ccc(-c2cc(OC(=O)c3oc4ccccc4c3C)cc3sc(=O)oc32)cc1 ZINC000016742316 556636264 /nfs/dbraw/zinc/63/62/64/556636264.db2.gz ADTDXPJNDCHXPP-UHFFFAOYSA-N 0 0 432.453 5.804 50 0 IKAARN COc1ccccc1OCC(=O)Oc1cc2sc(=O)oc2c(-c2ccc(Cl)cc2)c1 ZINC000016742402 556636299 /nfs/dbraw/zinc/63/62/99/556636299.db2.gz UYWKAWJVXOPMSR-UHFFFAOYSA-N 0 0 442.876 5.168 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccccc1Cl ZINC000016749685 556636577 /nfs/dbraw/zinc/63/65/77/556636577.db2.gz QLCXOLZCYAEAKO-UHFFFAOYSA-N 0 0 434.860 5.807 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H]1c3cnn(-c4ccccc4)c3OC(C)(C)[C@H]1CS2 ZINC000033800532 556636585 /nfs/dbraw/zinc/63/65/85/556636585.db2.gz QSGYPIOMMSUDJY-RBBKRZOGSA-N 0 0 428.561 5.391 50 0 IKAARN COP(=O)(OC)c1nc(-c2cccc3ccccc32)oc1NCc1ccc(F)cc1 ZINC000016749691 556636848 /nfs/dbraw/zinc/63/68/48/556636848.db2.gz PWTZGNAFOVSSHB-UHFFFAOYSA-N 0 0 426.384 5.357 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016749728 556636863 /nfs/dbraw/zinc/63/68/63/556636863.db2.gz ODJQWGVWEAERDR-HSZRJFAPSA-N 0 0 427.525 5.303 50 0 IKAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000016750321 556637078 /nfs/dbraw/zinc/63/70/78/556637078.db2.gz QEOMNVHIQGILEL-XMMPIXPASA-N 0 0 449.547 5.332 50 0 IKAARN CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000016750379 556637120 /nfs/dbraw/zinc/63/71/20/556637120.db2.gz XTCWAGQQNFIFQF-VWLOTQADSA-N 0 0 439.511 5.152 50 0 IKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1OCC ZINC000016753268 556638500 /nfs/dbraw/zinc/63/85/00/556638500.db2.gz UIJLCYCMAIFAFD-UHFFFAOYSA-N 0 0 441.871 5.494 50 0 IKAARN COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCc1ccco1 ZINC000016753663 556638547 /nfs/dbraw/zinc/63/85/47/556638547.db2.gz VAOFSAGICGARMY-UHFFFAOYSA-N 0 0 438.420 5.171 50 0 IKAARN COc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)c(OC)c1 ZINC000409414547 556639752 /nfs/dbraw/zinc/63/97/52/556639752.db2.gz WYMXHIMALACUKG-QHCPKHFHSA-N 0 0 445.519 5.089 50 0 IKAARN COc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)c(OC)c1 ZINC000409414545 556639763 /nfs/dbraw/zinc/63/97/63/556639763.db2.gz WYMXHIMALACUKG-HSZRJFAPSA-N 0 0 445.519 5.089 50 0 IKAARN O=C1C[C@H](c2cccc(OC(F)F)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415532 556641953 /nfs/dbraw/zinc/64/19/53/556641953.db2.gz NVUIZLROASQATR-LJQANCHMSA-N 0 0 436.433 5.904 50 0 IKAARN CCOc1ccc2c(c1)S/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)N2 ZINC000033851555 556642792 /nfs/dbraw/zinc/64/27/92/556642792.db2.gz IXYJOPJCZQDUDJ-APSNUPSMSA-N 0 0 429.391 5.373 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3cc(C)cc(C)c3)c(C)c12 ZINC000005151993 556643274 /nfs/dbraw/zinc/64/32/74/556643274.db2.gz LNFJDFSDFJVSBA-UHFFFAOYSA-N 0 0 426.564 5.842 50 0 IKAARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(Cl)c2)CC(=O)N1Cc1cccc(Cl)c1 ZINC000037575808 556643467 /nfs/dbraw/zinc/64/34/67/556643467.db2.gz QIMYRNIBCBNABG-FQEVSTJZSA-N 0 0 446.374 6.125 50 0 IKAARN O=C1C[C@@H](c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)CN1c1cccc(Cl)c1 ZINC000040454671 556643774 /nfs/dbraw/zinc/64/37/74/556643774.db2.gz XIVKMFDVTKDPKF-MRXNPFEDSA-N 0 0 449.869 5.842 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)CC(=O)N1Cc1cc(F)cc(F)c1 ZINC000037576639 556643867 /nfs/dbraw/zinc/64/38/67/556643867.db2.gz HWCUMYRBUGNFEH-IBGZPJMESA-N 0 0 433.882 5.360 50 0 IKAARN CCOC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037576694 556643875 /nfs/dbraw/zinc/64/38/75/556643875.db2.gz RCINWXGHSWSADN-IBGZPJMESA-N 0 0 435.417 5.198 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3o2)c(CSc2nc3ccccc3o2)c1C ZINC000040545152 556644299 /nfs/dbraw/zinc/64/42/99/556644299.db2.gz ZQCOWEHLDHLBKH-UHFFFAOYSA-N 0 0 432.570 7.170 50 0 IKAARN CC(C)NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037555806 556644759 /nfs/dbraw/zinc/64/47/59/556644759.db2.gz KIBIUZQSDQJUQI-DTQAZKPQSA-N 0 0 430.523 5.139 50 0 IKAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCc2ccco2)cc1 ZINC000037556214 556644993 /nfs/dbraw/zinc/64/49/93/556644993.db2.gz ZEHGFIZPYIIQNU-UHFFFAOYSA-N 0 0 430.548 5.170 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1ccccc1Cl ZINC000016840611 556645569 /nfs/dbraw/zinc/64/55/69/556645569.db2.gz NFBVKOLJUFHLOI-UHFFFAOYSA-N 0 0 444.947 5.934 50 0 IKAARN O=C(NCc1cccc(F)c1)c1cc2sccc2n1Cc1ccc(Br)cc1 ZINC000037588196 556645814 /nfs/dbraw/zinc/64/58/14/556645814.db2.gz CGLJSGGNWBZLAK-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000016840658 556645836 /nfs/dbraw/zinc/64/58/36/556645836.db2.gz KNWCTKFPNWZNAN-UHFFFAOYSA-N 0 0 438.556 5.843 50 0 IKAARN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037580719 556645955 /nfs/dbraw/zinc/64/59/55/556645955.db2.gz POFCDYXOSKDTCJ-UHFFFAOYSA-N 0 0 434.530 5.893 50 0 IKAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4Cl)nccn3n2)cc1 ZINC000016841692 556646125 /nfs/dbraw/zinc/64/61/25/556646125.db2.gz XOHHSPPXHVVVNB-UHFFFAOYSA-N 0 0 436.968 5.651 50 0 IKAARN Cc1cccc(CNC(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CCCC3)c2)c1 ZINC000037600859 556646163 /nfs/dbraw/zinc/64/61/63/556646163.db2.gz JOJHZEHIBFQKGF-UHFFFAOYSA-N 0 0 440.587 5.577 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCC3CC3)c2)cc1 ZINC000037601090 556646211 /nfs/dbraw/zinc/64/62/11/556646211.db2.gz UTCGSZJTLFQAMD-UHFFFAOYSA-N 0 0 430.523 5.050 50 0 IKAARN COc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(C)cc3)C(=O)C3CC3)c2)cc1 ZINC000037601129 556646227 /nfs/dbraw/zinc/64/62/27/556646227.db2.gz FGXHMHXMRVPIOM-UHFFFAOYSA-N 0 0 428.532 5.128 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2CC)c1 ZINC000016845129 556646848 /nfs/dbraw/zinc/64/68/48/556646848.db2.gz MMEMFFUANKPTEC-UHFFFAOYSA-N 0 0 449.601 5.438 50 0 IKAARN CCn1c(SCC(=O)N(C)c2ccccc2)nc2c(-c3ccc(C)cc3)csc2c1=O ZINC000016846200 556647080 /nfs/dbraw/zinc/64/70/80/556647080.db2.gz HOPLYVYCBJFVBT-UHFFFAOYSA-N 0 0 449.601 5.208 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(-c3ccc(C)cc3)csc2c1=O ZINC000016846178 556647123 /nfs/dbraw/zinc/64/71/23/556647123.db2.gz MVGGYHFBUNQDTQ-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000016846579 556647350 /nfs/dbraw/zinc/64/73/50/556647350.db2.gz KDMSUDVTAZJYMW-UHFFFAOYSA-N 0 0 449.916 5.083 50 0 IKAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000016846657 556647485 /nfs/dbraw/zinc/64/74/85/556647485.db2.gz LEQWFEFZWQEVLS-UHFFFAOYSA-N 0 0 441.965 5.046 50 0 IKAARN O=C(OCc1cc(-c2cccs2)on1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016922572 556649321 /nfs/dbraw/zinc/64/93/21/556649321.db2.gz XZDDMBOHOIUVFC-UHFFFAOYSA-N 0 0 446.528 5.152 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc3S2)cc1 ZINC000016953542 556650173 /nfs/dbraw/zinc/65/01/73/556650173.db2.gz CKDZNGXIBWJLAY-QFIPXVFZSA-N 0 0 436.508 5.043 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N(CCc1c[nH]c2ccc(F)cc12)Cc1cccs1 ZINC000016957287 556650695 /nfs/dbraw/zinc/65/06/95/556650695.db2.gz NRPGHDXYVWHQAY-UHFFFAOYSA-N 0 0 448.972 5.456 50 0 IKAARN Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000016995682 556652353 /nfs/dbraw/zinc/65/23/53/556652353.db2.gz YYBMCJSRBMVWDQ-UHFFFAOYSA-N 0 0 431.355 5.679 50 0 IKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016995693 556652519 /nfs/dbraw/zinc/65/25/19/556652519.db2.gz UIVXJZOCCAWDMJ-QHCPKHFHSA-N 0 0 448.885 5.024 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc3S2)cc1 ZINC000017025803 556653410 /nfs/dbraw/zinc/65/34/10/556653410.db2.gz KEPUUWRZTJYOJU-DEOSSOPVSA-N 0 0 446.572 5.521 50 0 IKAARN Cc1cccc(OCc2nc(CC(=O)Nc3ccc(Br)cc3C)cs2)c1 ZINC000033000265 556653878 /nfs/dbraw/zinc/65/38/78/556653878.db2.gz DPWCRMKKUYNLCK-UHFFFAOYSA-N 0 0 431.355 5.283 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 ZINC000033000075 556653979 /nfs/dbraw/zinc/65/39/79/556653979.db2.gz YEKRXHQBAHZTTB-UHFFFAOYSA-N 0 0 438.940 5.783 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccc(Cl)cc1 ZINC000033000660 556653996 /nfs/dbraw/zinc/65/39/96/556653996.db2.gz TXNYEHQGTCBGKX-UHFFFAOYSA-N 0 0 443.937 5.526 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000017044955 556654110 /nfs/dbraw/zinc/65/41/10/556654110.db2.gz MKZITTNPQXCIHC-UHFFFAOYSA-N 0 0 429.716 5.721 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CC(C)C)cc3s2)cc1 ZINC000033000734 556654309 /nfs/dbraw/zinc/65/43/09/556654309.db2.gz HBOMIRIVBQTONI-UHFFFAOYSA-N 0 0 429.567 5.020 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc(C)c4)cc3s2)cc1 ZINC000033000490 556654328 /nfs/dbraw/zinc/65/43/28/556654328.db2.gz GKEAYJZGBZVFBJ-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3cc(Cl)ccc3OC)cs2)c1C ZINC000033004497 556654512 /nfs/dbraw/zinc/65/45/12/556654512.db2.gz PZXJUFTZKUNBBV-UHFFFAOYSA-N 0 0 432.977 5.131 50 0 IKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(Br)cc3)cs2)c1C ZINC000033004525 556654518 /nfs/dbraw/zinc/65/45/18/556654518.db2.gz VLILXFGBHIQKEE-UHFFFAOYSA-N 0 0 447.402 5.232 50 0 IKAARN COc1cc2c(cc1NC(=O)CSCC(=O)N(C)C1CCCCC1)oc1ccccc12 ZINC000033005205 556654744 /nfs/dbraw/zinc/65/47/44/556654744.db2.gz JBPPCVXDVKVVDA-UHFFFAOYSA-N 0 0 440.565 5.057 50 0 IKAARN COc1cc2c(cc1NC(=O)Cc1sc(C)nc1-c1cccs1)oc1ccccc12 ZINC000033005202 556654771 /nfs/dbraw/zinc/65/47/71/556654771.db2.gz ICBGXHBZNSHKET-UHFFFAOYSA-N 0 0 434.542 6.269 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 ZINC000033004209 556654829 /nfs/dbraw/zinc/65/48/29/556654829.db2.gz IOCTVOKLRKKKEB-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 ZINC000033004221 556654834 /nfs/dbraw/zinc/65/48/34/556654834.db2.gz QGLMEABNEQBUOT-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCC[C@H](NC(=O)c1ccc(Cn2c3ccccc3nc(C)c2=O)cc1)c1cccs1 ZINC000033005882 556654959 /nfs/dbraw/zinc/65/49/59/556654959.db2.gz UAZJNPHTHWSOQN-NRFANRHFSA-N 0 0 431.561 5.086 50 0 IKAARN C[C@H]1O[C@@H](n2c3ccccc3c3ccccc32)[C@H](C)O[C@@H]1n1c2ccccc2c2ccccc21 ZINC000248000786 556655011 /nfs/dbraw/zinc/65/50/11/556655011.db2.gz FPILFFLXHSKNOF-MNVPHMDFSA-N 0 0 446.550 7.424 50 0 IKAARN C[C@@H]1O[C@H](n2c3ccccc3c3ccccc32)[C@H](C)O[C@H]1n1c2ccccc2c2ccccc21 ZINC000248000782 556655045 /nfs/dbraw/zinc/65/50/45/556655045.db2.gz FPILFFLXHSKNOF-CPCKHHDFSA-N 0 0 446.550 7.424 50 0 IKAARN CC(C)(c1ccc(N(O)c2ccc(C(C)(C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000100709800 556655691 /nfs/dbraw/zinc/65/56/91/556655691.db2.gz QXLADOSXOHULGV-UHFFFAOYSA-N 0 0 432.672 8.886 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(F)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008648 556656224 /nfs/dbraw/zinc/65/62/24/556656224.db2.gz IKULZVMOJVMWKK-UHFFFAOYSA-N 0 0 436.468 5.340 50 0 IKAARN CC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C)s1 ZINC000033007768 556656433 /nfs/dbraw/zinc/65/64/33/556656433.db2.gz KCLQGJQLJNDYNV-UHFFFAOYSA-N 0 0 443.594 5.412 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1OC ZINC000033008217 556656911 /nfs/dbraw/zinc/65/69/11/556656911.db2.gz NQBSHJPEJOGBQU-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc(Cl)c1O ZINC000017085955 556657104 /nfs/dbraw/zinc/65/71/04/556657104.db2.gz KIGVNDDVIMLPAK-CWTRNNRKSA-N 0 0 434.989 5.511 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc(Cl)c1O ZINC000017085952 556657127 /nfs/dbraw/zinc/65/71/27/556657127.db2.gz KIGVNDDVIMLPAK-BUXKBTBVSA-N 0 0 434.989 5.511 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000017085942 556657172 /nfs/dbraw/zinc/65/71/72/556657172.db2.gz SFVPUTHNERPBEZ-SPLOXXLWSA-N 0 0 440.996 6.667 50 0 IKAARN COc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017094295 556657427 /nfs/dbraw/zinc/65/74/27/556657427.db2.gz KOYOSSQTWSXUDJ-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN COc1ccccc1-c1nn(-c2ccc(Cl)cc2)c(-c2ccccc2OC)c1Cl ZINC000017094287 556657452 /nfs/dbraw/zinc/65/74/52/556657452.db2.gz KISDPWIHAUHCDV-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(C)cc3)ccc2N2CCCC2)cc1 ZINC000033009313 556657466 /nfs/dbraw/zinc/65/74/66/556657466.db2.gz KQXZNEJVYCDXHT-UHFFFAOYSA-N 0 0 442.563 6.054 50 0 IKAARN Fc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(F)cc3)c2Br)cc1 ZINC000017094271 556657516 /nfs/dbraw/zinc/65/75/16/556657516.db2.gz UXAQMBOSMFBZAA-UHFFFAOYSA-N 0 0 425.276 6.306 50 0 IKAARN CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(F)cc1 ZINC000017094285 556657537 /nfs/dbraw/zinc/65/75/37/556657537.db2.gz WJETUCMUEDTRET-UHFFFAOYSA-N 0 0 425.316 5.142 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017094294 556657540 /nfs/dbraw/zinc/65/75/40/556657540.db2.gz LFQBWKRGIZZMQC-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000033009322 556657548 /nfs/dbraw/zinc/65/75/48/556657548.db2.gz ZLHRVEZVPUCPEN-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c(C)c1 ZINC000033009455 556657648 /nfs/dbraw/zinc/65/76/48/556657648.db2.gz VICJBUSHHFKSJV-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009425 556657696 /nfs/dbraw/zinc/65/76/96/556657696.db2.gz JOZBIBZIRIKWFL-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)ncn2)cc1 ZINC000033010571 556658344 /nfs/dbraw/zinc/65/83/44/556658344.db2.gz QKQXVZVOCQJROX-VWLOTQADSA-N 0 0 434.543 6.003 50 0 IKAARN CCCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1csc(C)c1 ZINC000017095096 556658371 /nfs/dbraw/zinc/65/83/71/556658371.db2.gz HRYNZCIMCJBVKZ-UHFFFAOYSA-N 0 0 426.636 6.449 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010538 556658386 /nfs/dbraw/zinc/65/83/86/556658386.db2.gz ZAUYTXINKVAIEK-IBGZPJMESA-N 0 0 440.522 5.777 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)ncn2)c1 ZINC000033010474 556658394 /nfs/dbraw/zinc/65/83/94/556658394.db2.gz MKAUNAGEKAGECM-RUZDIDTESA-N 0 0 434.543 6.003 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010519 556658419 /nfs/dbraw/zinc/65/84/19/556658419.db2.gz IDARHSSMAZQCEV-XMMPIXPASA-N 0 0 438.506 5.834 50 0 IKAARN COc1ccc(-c2nn(C3CCCC3)c(-c3ccc(OC)cc3)c2Br)cc1 ZINC000017095321 556658602 /nfs/dbraw/zinc/65/86/02/556658602.db2.gz UKQHXKQOKLVGCJ-UHFFFAOYSA-N 0 0 427.342 6.112 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)ncn2)c1 ZINC000033010667 556658644 /nfs/dbraw/zinc/65/86/44/556658644.db2.gz MDIVKACVQLITLB-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1 ZINC000033010581 556658665 /nfs/dbraw/zinc/65/86/65/556658665.db2.gz LDPJDLNXJYFGIC-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3)ncn2)c1 ZINC000033010683 556658688 /nfs/dbraw/zinc/65/86/88/556658688.db2.gz NFJFDIDPRIJFMG-VWLOTQADSA-N 0 0 434.543 6.003 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1Cl ZINC000033010874 556658797 /nfs/dbraw/zinc/65/87/97/556658797.db2.gz CJZZSHCOSVCRIC-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010757 556659267 /nfs/dbraw/zinc/65/92/67/556659267.db2.gz KQXLJXMDAWEKKZ-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN Cc1sc2nc(SCc3cccc(Cl)c3)n(Cc3ccccn3)c(=O)c2c1C ZINC000017095672 556659301 /nfs/dbraw/zinc/65/93/01/556659301.db2.gz RFIVEHSKHPYFHB-UHFFFAOYSA-N 0 0 427.982 5.464 50 0 IKAARN FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(-c3ccccc3)n2)cc1 ZINC000017095740 556659305 /nfs/dbraw/zinc/65/93/05/556659305.db2.gz JTJNAODUASVPBO-UHFFFAOYSA-N 0 0 428.385 6.409 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010765 556659366 /nfs/dbraw/zinc/65/93/66/556659366.db2.gz XNRUFHGWWVXWFH-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 ZINC000017095980 556659572 /nfs/dbraw/zinc/65/95/72/556659572.db2.gz JAUQEHXMTRHREI-UHFFFAOYSA-N 0 0 428.535 6.730 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000017096166 556659936 /nfs/dbraw/zinc/65/99/36/556659936.db2.gz LUXNHQHYERFUFX-UHFFFAOYSA-N 0 0 428.772 5.955 50 0 IKAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000017096142 556659969 /nfs/dbraw/zinc/65/99/69/556659969.db2.gz UCBQYMRLWNINSH-HXUWFJFHSA-N 0 0 428.642 5.004 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3nc4cc(C)c(C)cc4s3)cs2)cc1C ZINC000033011859 556660108 /nfs/dbraw/zinc/66/01/08/556660108.db2.gz WOEZILWFGSUMSZ-UHFFFAOYSA-N 0 0 437.590 5.747 50 0 IKAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(C)cc1 ZINC000004594072 556660753 /nfs/dbraw/zinc/66/07/53/556660753.db2.gz DOZVQZHLRRZJCT-HSZRJFAPSA-N 0 0 429.582 5.016 50 0 IKAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(C)cc1 ZINC000004594071 556660844 /nfs/dbraw/zinc/66/08/44/556660844.db2.gz DOZVQZHLRRZJCT-QHCPKHFHSA-N 0 0 429.582 5.016 50 0 IKAARN COc1ccc([C@H]2Oc3c(c(-c4cccc(Cl)c4)c(O)c4cc(C)c(C)cc34)S2)cc1 ZINC000011851809 556661425 /nfs/dbraw/zinc/66/14/25/556661425.db2.gz LFUKBPDQLWVGLG-SANMLTNESA-N 0 0 448.971 7.675 50 0 IKAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000033013156 556662626 /nfs/dbraw/zinc/66/26/26/556662626.db2.gz CGQBTOVVHMHKFP-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN CCOc1cc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cc(OCC)c1OCC ZINC000011852937 556662599 /nfs/dbraw/zinc/66/25/99/556662599.db2.gz IKALJZGDTWPGQG-UHFFFAOYSA-N 0 0 436.533 5.898 50 0 IKAARN COc1cccc2s/c(=N/C(=O)c3cc(-c4cccs4)nc4ccccc43)n(C)c21 ZINC000011853042 556662641 /nfs/dbraw/zinc/66/26/41/556662641.db2.gz MLMKBBYBLVNBDG-WJTDDFOZSA-N 0 0 431.542 5.266 50 0 IKAARN O=C(NCCCCCCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000017098179 556662732 /nfs/dbraw/zinc/66/27/32/556662732.db2.gz XKNUGCDRQZPWHO-POTDNYQPSA-N 0 0 432.608 5.167 50 0 IKAARN O=C(NCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000017098180 556662766 /nfs/dbraw/zinc/66/27/66/556662766.db2.gz XKNUGCDRQZPWHO-XDZVQPMWSA-N 0 0 432.608 5.167 50 0 IKAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccccc1 ZINC000033013275 556662873 /nfs/dbraw/zinc/66/28/73/556662873.db2.gz BHEKSKRZGLQEBZ-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(C)c(Cl)c2)c1-c1ccc(OC)cc1 ZINC000017098259 556663039 /nfs/dbraw/zinc/66/30/39/556663039.db2.gz LAWFLVKTVVOVTC-UHFFFAOYSA-N 0 0 432.951 6.748 50 0 IKAARN Cc1cccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccncc2)CCCC4)c1 ZINC000017098623 556663558 /nfs/dbraw/zinc/66/35/58/556663558.db2.gz FLLHSQDPRHPAPB-UHFFFAOYSA-N 0 0 433.602 5.381 50 0 IKAARN Cc1ccc(OCCOC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000033013848 556664019 /nfs/dbraw/zinc/66/40/19/556664019.db2.gz ZACWIFAKFZOHTB-UHFFFAOYSA-N 0 0 432.545 5.107 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1sc2cccc(F)c2c1Cl ZINC000017099305 556664482 /nfs/dbraw/zinc/66/44/82/556664482.db2.gz DUZVOLCJZUVTPK-UHFFFAOYSA-N 0 0 434.945 5.389 50 0 IKAARN COc1ccc(Cn2nc(-c3ccc(OC)cc3)c(Cl)c2-c2ccc(OC)cc2)cc1 ZINC000017099260 556664498 /nfs/dbraw/zinc/66/44/98/556664498.db2.gz XAARCDJNTMPIMV-UHFFFAOYSA-N 0 0 434.923 5.945 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3cc(Cl)ccc3n2)s1 ZINC000017099362 556664733 /nfs/dbraw/zinc/66/47/33/556664733.db2.gz CAHQDIIZZPANFM-UHFFFAOYSA-N 0 0 434.992 7.555 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000017099718 556664889 /nfs/dbraw/zinc/66/48/89/556664889.db2.gz GKONUOSSJLELCL-UHFFFAOYSA-N 0 0 435.858 6.320 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3cccc(C)c3n2)cc1C ZINC000017099665 556664927 /nfs/dbraw/zinc/66/49/27/556664927.db2.gz CWKKNNFJHGIPHI-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN COc1ccccc1N1C(=S)N=NC1c1ccc(COc2cc(C)ccc2C(C)C)o1 ZINC000017099639 556664930 /nfs/dbraw/zinc/66/49/30/556664930.db2.gz SVIJZLQMCRBIGC-UHFFFAOYSA-N 0 0 435.549 5.835 50 0 IKAARN CCCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 ZINC000017099887 556665144 /nfs/dbraw/zinc/66/51/44/556665144.db2.gz OXJAEBBLKZQPHZ-CYBMUJFWSA-N 0 0 435.973 5.419 50 0 IKAARN O=C(Nc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)c1ccc(Br)o1 ZINC000017099929 556665183 /nfs/dbraw/zinc/66/51/83/556665183.db2.gz LZBFDEXAZTVRGZ-AWNIVKPZSA-N 0 0 436.265 5.515 50 0 IKAARN NC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000017099952 556665225 /nfs/dbraw/zinc/66/52/25/556665225.db2.gz XRZOWIAJTIYBPJ-UHFFFAOYSA-N 0 0 436.298 5.560 50 0 IKAARN CCc1cc(-c2[nH]nc(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1Cl ZINC000011867300 556665239 /nfs/dbraw/zinc/66/52/39/556665239.db2.gz FRCXWHSNKYENFU-UHFFFAOYSA-N 0 0 440.956 5.591 50 0 IKAARN Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000011865502 556665299 /nfs/dbraw/zinc/66/52/99/556665299.db2.gz CZBCBGSEVWIDBC-UHFFFAOYSA-N 0 0 426.877 5.190 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000017100464 556665431 /nfs/dbraw/zinc/66/54/31/556665431.db2.gz SLVHISLTUVVRBE-UHFFFAOYSA-N 0 0 436.536 6.891 50 0 IKAARN COC(=O)c1ccc(NC(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)cc1 ZINC000033018514 556665440 /nfs/dbraw/zinc/66/54/40/556665440.db2.gz XRCQEAUACNJQLK-UHFFFAOYSA-N 0 0 449.557 6.019 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)c1 ZINC000033018502 556665476 /nfs/dbraw/zinc/66/54/76/556665476.db2.gz BYLHXZXIHCHMLE-UHFFFAOYSA-N 0 0 435.574 6.420 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc([C@H]3C[C@H]3c3ccc(C)cc3)n2CC)cc1 ZINC000017100670 556665657 /nfs/dbraw/zinc/66/56/57/556665657.db2.gz RHUGGTJYJPLZHO-SFTDATJTSA-N 0 0 436.581 5.007 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc([C@H]3C[C@@H]3c3ccc(C)cc3)n2CC)cc1 ZINC000017100666 556665715 /nfs/dbraw/zinc/66/57/15/556665715.db2.gz RHUGGTJYJPLZHO-RTWAWAEBSA-N 0 0 436.581 5.007 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4C)ccc3oc2=O)cc1OC ZINC000011866196 556665893 /nfs/dbraw/zinc/66/58/93/556665893.db2.gz ISZQHBZFXKCYOR-UHFFFAOYSA-N 0 0 430.456 5.313 50 0 IKAARN COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000017100886 556665950 /nfs/dbraw/zinc/66/59/50/556665950.db2.gz KWVOQRWSSHRYSL-UHFFFAOYSA-N 0 0 436.920 5.964 50 0 IKAARN COc1cccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3cccc(OC)c3)c2C)c1 ZINC000017100929 556665979 /nfs/dbraw/zinc/66/59/79/556665979.db2.gz OZIINLBLXATSBX-UHFFFAOYSA-N 0 0 436.943 5.515 50 0 IKAARN CCc1c(C)sc(NC(=O)c2sc3cccc(F)c3c2Cl)c1C(=O)NC1CC1 ZINC000017100936 556665981 /nfs/dbraw/zinc/66/59/81/556665981.db2.gz GWVRTFYZKZYFMX-UHFFFAOYSA-N 0 0 436.961 5.771 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3ncnc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1 ZINC000011866303 556666238 /nfs/dbraw/zinc/66/62/38/556666238.db2.gz WCZNWSGKWDTWAF-UHFFFAOYSA-N 0 0 448.444 6.757 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 ZINC000017101940 556666281 /nfs/dbraw/zinc/66/62/81/556666281.db2.gz MZSDPHJUGNZWPC-UHFFFAOYSA-N 0 0 438.336 5.359 50 0 IKAARN COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 ZINC000011866391 556666447 /nfs/dbraw/zinc/66/64/47/556666447.db2.gz QYIWMUSYWSJUPR-UHFFFAOYSA-N 0 0 425.204 5.306 50 0 IKAARN Cc1noc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)c1-c1ccccc1 ZINC000011866320 556666453 /nfs/dbraw/zinc/66/64/53/556666453.db2.gz UONDWQNUUWLSJC-UHFFFAOYSA-N 0 0 426.299 6.908 50 0 IKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC ZINC000011866344 556666473 /nfs/dbraw/zinc/66/64/73/556666473.db2.gz QQFLXLIUSMREAK-UHFFFAOYSA-N 0 0 431.488 5.927 50 0 IKAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)c1 ZINC000011866364 556666489 /nfs/dbraw/zinc/66/64/89/556666489.db2.gz XDTSAFUPGYPSTK-UHFFFAOYSA-N 0 0 449.894 5.465 50 0 IKAARN CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000011866336 556666534 /nfs/dbraw/zinc/66/65/34/556666534.db2.gz XNTVGOPHJNHTAG-UHFFFAOYSA-N 0 0 443.503 5.510 50 0 IKAARN CCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2c1CCCC2 ZINC000017102062 556666545 /nfs/dbraw/zinc/66/65/45/556666545.db2.gz WPVBHXIXIVNFIJ-UHFFFAOYSA-N 0 0 438.449 6.895 50 0 IKAARN Cc1cc(OCC(=O)c2ccc3ccccc3c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000011866610 556666703 /nfs/dbraw/zinc/66/67/03/556666703.db2.gz GRKLYGPDXQKKNX-UHFFFAOYSA-N 0 0 448.518 6.416 50 0 IKAARN Cc1ccc(/C=C/C(=O)NC[C@]2(C)C[C@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 ZINC000017102642 556666717 /nfs/dbraw/zinc/66/67/17/556666717.db2.gz FKJSNQKYYVGFEG-CSKQFMNRSA-N 0 0 438.568 5.033 50 0 IKAARN Cc1c2cc(Cl)c(OCc3ccc(F)cc3Cl)cc2oc(=O)c1Cc1ccccc1 ZINC000011866684 556666713 /nfs/dbraw/zinc/66/67/13/556666713.db2.gz XIPWATJKEYPZLA-UHFFFAOYSA-N 0 0 443.301 6.717 50 0 IKAARN COC(=O)[C@@H](Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)c1ccccc1 ZINC000011866676 556666763 /nfs/dbraw/zinc/66/67/63/556666763.db2.gz LXXVXZGBKFHYKV-VWLOTQADSA-N 0 0 428.484 5.294 50 0 IKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1 ZINC000011866465 556666804 /nfs/dbraw/zinc/66/68/04/556666804.db2.gz MGFSEDBGAXHWDG-UHFFFAOYSA-N 0 0 428.488 5.734 50 0 IKAARN CC(C)(C)P(c1ccccc1-n1nc(-c2ccccc2)cc1-c1ccccc1)C(C)(C)C ZINC000044583865 556667032 /nfs/dbraw/zinc/66/70/32/556667032.db2.gz JAIIBHBCNPAPPF-UHFFFAOYSA-N 0 0 440.571 7.911 50 0 IKAARN Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc2c1-c1ccccc1 ZINC000011867425 556667237 /nfs/dbraw/zinc/66/72/37/556667237.db2.gz OXVWSKNMMITNFU-UHFFFAOYSA-N 0 0 437.495 5.682 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccccc1Cl)occ3C(C)(C)C ZINC000011867432 556667284 /nfs/dbraw/zinc/66/72/84/556667284.db2.gz AMSOKVJJQAWUIM-UHFFFAOYSA-N 0 0 437.923 5.657 50 0 IKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCc4ccccc4Cl)c(=O)oc3c2C)c1C ZINC000011867556 556667629 /nfs/dbraw/zinc/66/76/29/556667629.db2.gz RJZKTBBTGPDSDQ-UHFFFAOYSA-N 0 0 437.923 5.675 50 0 IKAARN O=C(Nc1nnc(-c2ncc(C(F)(F)F)cc2Cl)s1)Nc1ccc(Cl)cc1 ZINC000261495011 556667641 /nfs/dbraw/zinc/66/76/41/556667641.db2.gz HGSDTYPFKAAAHP-UHFFFAOYSA-N 0 0 434.230 5.570 50 0 IKAARN COc1ccc(-c2csc(-c3ncc(-c4ccc(OC)c(OC)c4)s3)n2)cc1OC ZINC000044827473 556667739 /nfs/dbraw/zinc/66/77/39/556667739.db2.gz ZKASEYPOOXGKFL-UHFFFAOYSA-N 0 0 440.546 5.635 50 0 IKAARN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@H](O)[C@@H]2[C@H]1c1ccccc1OC ZINC000017124055 556668552 /nfs/dbraw/zinc/66/85/52/556668552.db2.gz ASEVQPKUGBNXIJ-HUROMRQRSA-N 0 0 448.607 6.233 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CCCCC(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000017130566 556669176 /nfs/dbraw/zinc/66/91/76/556669176.db2.gz VHHPKERAKAMXEA-HDICACEKSA-N 0 0 440.534 5.561 50 0 IKAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3)c1ccc(Cl)cc1 ZINC000017138989 556669393 /nfs/dbraw/zinc/66/93/93/556669393.db2.gz FWSMNCJYDNHJEA-UHFFFAOYSA-N 0 0 438.961 5.379 50 0 IKAARN C[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)[C@@H](C)CN1C(=O)/C=C/c1ccccc1Cl ZINC000017136156 556669445 /nfs/dbraw/zinc/66/94/45/556669445.db2.gz PNFOVWBPCOGLDD-UCKSJYCHSA-N 0 0 443.374 5.168 50 0 IKAARN COc1cccc(NC(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000017147662 556670232 /nfs/dbraw/zinc/67/02/32/556670232.db2.gz YPWLKAIPZZBITB-UHFFFAOYSA-N 0 0 441.365 5.790 50 0 IKAARN Cc1ccc(-n2cnc3cc(Nc4nnc(-c5ccccc5)c5ccccc54)ccc32)cc1 ZINC000017161307 556670793 /nfs/dbraw/zinc/67/07/93/556670793.db2.gz YWNMZWZNMICVDH-UHFFFAOYSA-N 0 0 427.511 6.688 50 0 IKAARN Cc1nc(SCc2c(Cl)ccc(Cl)c2Cl)[nH]c(=O)c1Cc1ccccc1 ZINC000011905603 556670937 /nfs/dbraw/zinc/67/09/37/556670937.db2.gz UZUGBIQTKTYJDY-UHFFFAOYSA-N 0 0 425.768 5.922 50 0 IKAARN CCCCOc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)cc1 ZINC000044422090 556672165 /nfs/dbraw/zinc/67/21/65/556672165.db2.gz ZIIRLUAHRUVIFR-HNNXBMFYSA-N 0 0 429.879 5.229 50 0 IKAARN COc1ccc([C@@H](NC(=O)/C=C(\C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 ZINC000017193740 556672683 /nfs/dbraw/zinc/67/26/83/556672683.db2.gz PGOVFNZQZSMXCW-YOWPFKENSA-N 0 0 433.551 6.671 50 0 IKAARN CCc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Br)cc1 ZINC000011916324 556673244 /nfs/dbraw/zinc/67/32/44/556673244.db2.gz LZGPURMRQYHKAH-UHFFFAOYSA-N 0 0 442.382 5.655 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Oc1cc2sc(=O)oc2c(-c2ccccc2)c1 ZINC000011915097 556674245 /nfs/dbraw/zinc/67/42/45/556674245.db2.gz XFWAIZTXTKWABA-UHFFFAOYSA-N 0 0 436.872 6.449 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000017265420 556674280 /nfs/dbraw/zinc/67/42/80/556674280.db2.gz PBRBUFIYYBBYBH-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN COc1cc(OC)c(C2=CCN(C(=O)c3ccccc3-c3ccccc3)CC2)c(OC)c1 ZINC000011918259 556674716 /nfs/dbraw/zinc/67/47/16/556674716.db2.gz SADYDMKBASHCSO-UHFFFAOYSA-N 0 0 429.516 5.309 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccccc2)cc1 ZINC000017299381 556674800 /nfs/dbraw/zinc/67/48/00/556674800.db2.gz XWDUQLWSEAZFRY-UHFFFAOYSA-N 0 0 426.585 7.335 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000017315979 556675406 /nfs/dbraw/zinc/67/54/06/556675406.db2.gz SVXNNZXIWGPVLD-UHFFFAOYSA-N 0 0 438.940 5.179 50 0 IKAARN CCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccccc2SC(F)F)cc1Cl ZINC000032932745 556675891 /nfs/dbraw/zinc/67/58/91/556675891.db2.gz JDYNTLZPDWWNNX-UHFFFAOYSA-N 0 0 441.931 5.187 50 0 IKAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000013522578 556676128 /nfs/dbraw/zinc/67/61/28/556676128.db2.gz YWZHGNCEADQRSG-RUZDIDTESA-N 0 0 439.603 6.653 50 0 IKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)c1C ZINC000033019379 556676171 /nfs/dbraw/zinc/67/61/71/556676171.db2.gz NIEOFJGFODIYTA-UHFFFAOYSA-N 0 0 431.005 5.821 50 0 IKAARN Cn1c2cc(Br)ccc2s/c1=N\C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000100810613 556676249 /nfs/dbraw/zinc/67/62/49/556676249.db2.gz WEIAWZHQNOXZPJ-LNVKXUELSA-N 0 0 439.334 5.536 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C)c3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033019444 556676332 /nfs/dbraw/zinc/67/63/32/556676332.db2.gz MDPPCPFDWQGZOR-UHFFFAOYSA-N 0 0 434.540 5.165 50 0 IKAARN Cc1cc([C@H]2CCCN2C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)on1 ZINC000032933125 556676354 /nfs/dbraw/zinc/67/63/54/556676354.db2.gz WLUNJBNLXIYGIC-QGZVFWFLSA-N 0 0 426.929 5.323 50 0 IKAARN Cc1cccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000033019461 556676505 /nfs/dbraw/zinc/67/65/05/556676505.db2.gz MCPPLAVJOAZISK-DEOSSOPVSA-N 0 0 436.964 5.466 50 0 IKAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc2ccccc2c1 ZINC000032931979 556676999 /nfs/dbraw/zinc/67/69/99/556676999.db2.gz XJYLBKAOIKNHKU-UHFFFAOYSA-N 0 0 438.911 6.507 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000100817204 556677045 /nfs/dbraw/zinc/67/70/45/556677045.db2.gz BFMIZRKVKNDFSX-OAQYLSRUSA-N 0 0 432.886 5.802 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000100817219 556677072 /nfs/dbraw/zinc/67/70/72/556677072.db2.gz PDCRVAJXJSCDSC-NRFANRHFSA-N 0 0 449.341 6.317 50 0 IKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935120 556677922 /nfs/dbraw/zinc/67/79/22/556677922.db2.gz ACGOQXJLRCGHNV-QFIPXVFZSA-N 0 0 427.907 5.509 50 0 IKAARN CCOC(=O)c1sc2ccsc2c1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000032935086 556677936 /nfs/dbraw/zinc/67/79/36/556677936.db2.gz YNLAPXKVLIBREL-UHFFFAOYSA-N 0 0 441.559 5.963 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000017783830 556679292 /nfs/dbraw/zinc/67/92/92/556679292.db2.gz XNNGEGFUCHDQSH-DDBVPJQNSA-N 0 0 427.931 5.393 50 0 IKAARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000000634431 556679833 /nfs/dbraw/zinc/67/98/33/556679833.db2.gz ZAFFGFCXFAGKTE-LFVJCYFKSA-N 0 0 432.564 5.408 50 0 IKAARN O=C(COc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000017987307 556680883 /nfs/dbraw/zinc/68/08/83/556680883.db2.gz YLBIQCZQQUYSMX-DQEYMECFSA-N 0 0 437.495 5.071 50 0 IKAARN Cc1ccc(COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000018093771 556683919 /nfs/dbraw/zinc/68/39/19/556683919.db2.gz CZQHOFMJVZACGI-DEOSSOPVSA-N 0 0 443.572 5.006 50 0 IKAARN Cc1cc(Sc2ccccc2NC(=O)Nc2ccc(F)c(Cl)c2)n2ncnc2n1 ZINC000033019920 556684862 /nfs/dbraw/zinc/68/48/62/556684862.db2.gz HMPKEKLIZUITLJ-UHFFFAOYSA-N 0 0 428.880 5.020 50 0 IKAARN O=c1c2ccccc2c(-c2cccs2)nn1CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000062581121 556685040 /nfs/dbraw/zinc/68/50/40/556685040.db2.gz XIZOYVKVDCZMFS-HSZRJFAPSA-N 0 0 427.573 5.625 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000033020204 556685030 /nfs/dbraw/zinc/68/50/30/556685030.db2.gz PXBQPWUDEQKCOB-UHFFFAOYSA-N 0 0 443.956 5.486 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000060323052 556685083 /nfs/dbraw/zinc/68/50/83/556685083.db2.gz VKHIETDNUDUQFE-UHFFFAOYSA-N 0 0 436.562 5.101 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OCC)c1OCC ZINC000033020672 556685587 /nfs/dbraw/zinc/68/55/87/556685587.db2.gz YTABYSAKNULCNR-UHFFFAOYSA-N 0 0 444.531 6.283 50 0 IKAARN CCc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 ZINC000002176976 556686708 /nfs/dbraw/zinc/68/67/08/556686708.db2.gz APVAUAKEHDSZPH-BLEOTABNSA-N 0 0 442.584 6.370 50 0 IKAARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000002185456 556686727 /nfs/dbraw/zinc/68/67/27/556686727.db2.gz KOGLHVPFBPXZPH-XIEYBQDHSA-N 0 0 440.543 5.009 50 0 IKAARN Fc1ccc(-c2ccc(SCc3nc(-c4ccccc4Br)no3)nn2)cc1 ZINC000033022053 556686808 /nfs/dbraw/zinc/68/68/08/556686808.db2.gz PCRJCJVBKQOEED-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN Fc1ccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)cc1 ZINC000033022057 556686846 /nfs/dbraw/zinc/68/68/46/556686846.db2.gz XLBZIYBBZFLOIO-UHFFFAOYSA-N 0 0 432.402 5.644 50 0 IKAARN CSc1ccc(-c2noc(CSc3ccc(-c4ccc(C(C)C)cc4)nn3)n2)cc1 ZINC000033022142 556686855 /nfs/dbraw/zinc/68/68/55/556686855.db2.gz LZGCMANGAFNNEO-UHFFFAOYSA-N 0 0 434.590 6.331 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4cccc(Br)c4)no3)nn2)cc1 ZINC000033021904 556686881 /nfs/dbraw/zinc/68/68/81/556686881.db2.gz QGSATBSUDIKAGH-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN Fc1ccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)cc1 ZINC000033022055 556686903 /nfs/dbraw/zinc/68/69/03/556686903.db2.gz ISIPWLAMVLGCIE-UHFFFAOYSA-N 0 0 432.402 5.644 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)cc1 ZINC000033021898 556686911 /nfs/dbraw/zinc/68/69/11/556686911.db2.gz FXHVDQZJUOKJCC-UHFFFAOYSA-N 0 0 428.439 5.813 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(Br)cc4)no3)nn2)cc1 ZINC000033021894 556686921 /nfs/dbraw/zinc/68/69/21/556686921.db2.gz MTVFHVSNOKWEKX-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccccc4Br)no3)nn2)cc1 ZINC000033021892 556686925 /nfs/dbraw/zinc/68/69/25/556686925.db2.gz NQGZRJXMASLILR-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN Brc1cccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)c1 ZINC000033021947 556687037 /nfs/dbraw/zinc/68/70/37/556687037.db2.gz YCIRLQBOVFPIEP-UHFFFAOYSA-N 0 0 431.340 5.310 50 0 IKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(CC)cc4)nn3)n2)cc1OC ZINC000033022006 556687123 /nfs/dbraw/zinc/68/71/23/556687123.db2.gz MZLJJCAJQGBFLM-UHFFFAOYSA-N 0 0 448.548 5.456 50 0 IKAARN COc1ccc2[nH]c(S[C@@H](C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)nc2c1 ZINC000018210235 556687149 /nfs/dbraw/zinc/68/71/49/556687149.db2.gz XGDCHCXXOCVUGL-JOCHJYFZSA-N 0 0 431.517 5.246 50 0 IKAARN CSc1nc2ccc(NC(=O)c3ccccc3OCc3ccccc3Cl)cc2s1 ZINC000013141496 556687981 /nfs/dbraw/zinc/68/79/81/556687981.db2.gz NZHYUXNYSPIGPF-UHFFFAOYSA-N 0 0 440.977 6.503 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1N[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000793769 556690001 /nfs/dbraw/zinc/69/00/01/556690001.db2.gz LXUMTRIQOPCDEA-RUZDIDTESA-N 0 0 442.471 5.786 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)NC1CCCCC1 ZINC000046006087 556690056 /nfs/dbraw/zinc/69/00/56/556690056.db2.gz LHQFCMKHQYRECZ-UHFFFAOYSA-N 0 0 434.584 5.126 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000046005998 556690064 /nfs/dbraw/zinc/69/00/64/556690064.db2.gz PAXJPIHQHOAENX-UHFFFAOYSA-N 0 0 428.536 5.316 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000046006173 556690067 /nfs/dbraw/zinc/69/00/67/556690067.db2.gz QTLPCTGIMLYGMY-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000046005927 556690093 /nfs/dbraw/zinc/69/00/93/556690093.db2.gz IWPVSRKDQWDQCQ-UHFFFAOYSA-N 0 0 432.499 5.146 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1cc(F)ccc1C ZINC000046006398 556690420 /nfs/dbraw/zinc/69/04/20/556690420.db2.gz ZPCDBXGBPPPDJV-UHFFFAOYSA-N 0 0 446.526 5.373 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000046006416 556690436 /nfs/dbraw/zinc/69/04/36/556690436.db2.gz NFKUEZCKBBLUNS-UHFFFAOYSA-N 0 0 442.563 5.543 50 0 IKAARN CCc1cccc(NC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3nc2OC)c1 ZINC000046006616 556690572 /nfs/dbraw/zinc/69/05/72/556690572.db2.gz PCJKCFOSEZHQKX-UHFFFAOYSA-N 0 0 428.536 5.180 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000046006654 556690613 /nfs/dbraw/zinc/69/06/13/556690613.db2.gz FUTMUKDXHVCOCR-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN CSc1cccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1 ZINC000046009454 556690939 /nfs/dbraw/zinc/69/09/39/556690939.db2.gz XZOZJXXSRHRQKQ-UHFFFAOYSA-N 0 0 434.521 5.035 50 0 IKAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000010648235 556691098 /nfs/dbraw/zinc/69/10/98/556691098.db2.gz RQVKSZOQHMDIDQ-UHFFFAOYSA-N 0 0 425.712 5.173 50 0 IKAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2ccccc2)cc1OC ZINC000010646792 556691108 /nfs/dbraw/zinc/69/11/08/556691108.db2.gz YBECLTNMYJHOBB-LJQANCHMSA-N 0 0 438.574 5.235 50 0 IKAARN CCc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2C)cc1 ZINC000046023878 556691105 /nfs/dbraw/zinc/69/11/05/556691105.db2.gz GPJOEASLSSIIQB-UHFFFAOYSA-N 0 0 441.579 5.449 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2ccccc2Oc2ccccc2)nc1-c1ccccc1 ZINC000033875608 556692221 /nfs/dbraw/zinc/69/22/21/556692221.db2.gz PJVGIOACNXNZAF-UHFFFAOYSA-N 0 0 444.512 6.031 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)sc1C ZINC000046141313 556692731 /nfs/dbraw/zinc/69/27/31/556692731.db2.gz PYLLNBVSVLQBKH-UHFFFAOYSA-N 0 0 439.990 5.238 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)sc1C ZINC000046141441 556692951 /nfs/dbraw/zinc/69/29/51/556692951.db2.gz IEJWDNXUKOQVGK-UHFFFAOYSA-N 0 0 439.990 5.238 50 0 IKAARN COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(-c4ccccc4F)s3)nc2c1 ZINC000071850536 556694855 /nfs/dbraw/zinc/69/48/55/556694855.db2.gz BIOXQQFTAWDQBB-WJDWOHSUSA-N 0 0 440.883 5.727 50 0 IKAARN Cc1csc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4-c2ccccc2)n1 ZINC000013552656 556697037 /nfs/dbraw/zinc/69/70/37/556697037.db2.gz DBXHMMSJCKNYOT-UHFFFAOYSA-N 0 0 430.485 5.461 50 0 biogenic IKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025171 556698407 /nfs/dbraw/zinc/69/84/07/556698407.db2.gz FYVQVRKSRAHREQ-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025178 556698451 /nfs/dbraw/zinc/69/84/51/556698451.db2.gz AUHKTEABNYFTEB-UHFFFAOYSA-N 0 0 436.849 6.071 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025200 556698492 /nfs/dbraw/zinc/69/84/92/556698492.db2.gz FZUZGGXWVXXPHL-IBGZPJMESA-N 0 0 440.522 5.777 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025344 556699409 /nfs/dbraw/zinc/69/94/09/556699409.db2.gz FTWPKTVFGQLXDW-UHFFFAOYSA-N 0 0 436.849 6.071 50 0 IKAARN Cn1c2ccccc2c2cc(/C=C(/NC(=O)c3ccccc3)C(=O)Nc3ccccc3)ccc21 ZINC000000823109 556699591 /nfs/dbraw/zinc/69/95/91/556699591.db2.gz OAVGFQUXZCKVQW-NCELDCMTSA-N 0 0 445.522 5.741 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1 ZINC000033025286 556699667 /nfs/dbraw/zinc/69/96/67/556699667.db2.gz SPMSVXBZMGHHNL-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1nn2c(nc(-c3cccnc3)c3c2CC[C@H](C(C)(C)C)C3)c1-c1ccc(Cl)cc1 ZINC000048512738 556699846 /nfs/dbraw/zinc/69/98/46/556699846.db2.gz TWSKRJCHFMKNQE-IBGZPJMESA-N 0 0 430.983 6.571 50 0 IKAARN O=c1c2ccccc2nc(SCc2coc(-c3ccccc3)n2)n1-c1ccc(F)cc1F ZINC000024282355 556700007 /nfs/dbraw/zinc/70/00/07/556700007.db2.gz HQKLOQFCGZVVBS-UHFFFAOYSA-N 0 0 447.466 5.611 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025411 556700793 /nfs/dbraw/zinc/70/07/93/556700793.db2.gz JZKZMBXDIHXIAG-UHFFFAOYSA-N 0 0 426.545 5.539 50 0 IKAARN O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(Br)cc1 ZINC000033025720 556701449 /nfs/dbraw/zinc/70/14/49/556701449.db2.gz CVMPHZCYDYHIOZ-UHFFFAOYSA-N 0 0 427.323 5.398 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1 ZINC000033026589 556702923 /nfs/dbraw/zinc/70/29/23/556702923.db2.gz VDJYXCIEPFZPAR-UHFFFAOYSA-N 0 0 430.533 5.248 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1 ZINC000033026634 556703257 /nfs/dbraw/zinc/70/32/57/556703257.db2.gz USDWQOGWTYWFLB-UHFFFAOYSA-N 0 0 446.532 5.030 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000033026366 556703267 /nfs/dbraw/zinc/70/32/67/556703267.db2.gz FJAKBPTUMLZEIG-UHFFFAOYSA-N 0 0 436.924 5.284 50 0 IKAARN Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3ccc(F)cc3)cc(=O)n2c1 ZINC000033026528 556703603 /nfs/dbraw/zinc/70/36/03/556703603.db2.gz OJXAQQZJVZLFEE-UHFFFAOYSA-N 0 0 434.496 5.078 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000033026465 556703616 /nfs/dbraw/zinc/70/36/16/556703616.db2.gz IUUKXVLIIMSQGR-UHFFFAOYSA-N 0 0 444.560 5.556 50 0 IKAARN CCCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026823 556703750 /nfs/dbraw/zinc/70/37/50/556703750.db2.gz CFMMFSKUNJBTIA-UHFFFAOYSA-N 0 0 441.466 5.419 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000049234961 556704046 /nfs/dbraw/zinc/70/40/46/556704046.db2.gz ITRCQMDAYSHARR-NRFANRHFSA-N 0 0 425.532 5.334 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000049234960 556704124 /nfs/dbraw/zinc/70/41/24/556704124.db2.gz ITRCQMDAYSHARR-OAQYLSRUSA-N 0 0 425.532 5.334 50 0 IKAARN CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccc(F)cc3)c2c1 ZINC000013623573 556704144 /nfs/dbraw/zinc/70/41/44/556704144.db2.gz UZFOERZHAYMMIV-UHFFFAOYSA-N 0 0 441.458 6.721 50 0 IKAARN CCCc1sc(N(C(=O)c2ccc(F)cc2)c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000019143758 556706867 /nfs/dbraw/zinc/70/68/67/556706867.db2.gz ABLGCDRMGUHWNS-UHFFFAOYSA-N 0 0 446.547 6.889 50 0 IKAARN O=C(NCc1cccs1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000033027795 556707796 /nfs/dbraw/zinc/70/77/96/556707796.db2.gz UADSHOWEFCHZCD-UHFFFAOYSA-N 0 0 439.968 5.164 50 0 IKAARN N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001217897 556707872 /nfs/dbraw/zinc/70/78/72/556707872.db2.gz RFFWFHNDMBOXLW-RAXLEYEMSA-N 0 0 427.338 5.419 50 0 IKAARN COc1cc(CCC(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)on1 ZINC000013693126 556712029 /nfs/dbraw/zinc/71/20/29/556712029.db2.gz CDTOFMPHXKSBRH-UHFFFAOYSA-N 0 0 438.867 5.194 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCCC4=CCCCC4)c3)C2)cc1 ZINC000033034884 556716620 /nfs/dbraw/zinc/71/66/20/556716620.db2.gz WJROBJRHEADZEZ-MHZLTWQESA-N 0 0 444.619 5.889 50 0 IKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)Cc1nc(-c2ccccc2)no1 ZINC000019227034 556717049 /nfs/dbraw/zinc/71/70/49/556717049.db2.gz SRGVSVUAIKCGRK-UHFFFAOYSA-N 0 0 428.414 5.351 50 0 IKAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000019228323 556717390 /nfs/dbraw/zinc/71/73/90/556717390.db2.gz HPDZQKRJXAZATR-UHFFFAOYSA-N 0 0 443.938 5.412 50 0 IKAARN Cc1ccccc1NC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035348 556717646 /nfs/dbraw/zinc/71/76/46/556717646.db2.gz KBMORFZJEUQDIZ-OAQYLSRUSA-N 0 0 447.966 6.312 50 0 IKAARN O=C(NCc1cccnc1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035262 556717777 /nfs/dbraw/zinc/71/77/77/556717777.db2.gz DEUQRNUWXIAPEQ-NRFANRHFSA-N 0 0 448.954 5.077 50 0 IKAARN CC(C)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035369 556717809 /nfs/dbraw/zinc/71/78/09/556717809.db2.gz WEAQGGINKQCMAC-FQEVSTJZSA-N 0 0 427.976 5.527 50 0 IKAARN Cc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1 ZINC000033035713 556718359 /nfs/dbraw/zinc/71/83/59/556718359.db2.gz XQQZXOUKZDTEMF-DEOSSOPVSA-N 0 0 427.548 5.337 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035672 556718422 /nfs/dbraw/zinc/71/84/22/556718422.db2.gz IKCLIZHUUAPOOA-JOCHJYFZSA-N 0 0 447.966 5.682 50 0 IKAARN Cc1cccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1 ZINC000033035711 556718428 /nfs/dbraw/zinc/71/84/28/556718428.db2.gz XQQZXOUKZDTEMF-XMMPIXPASA-N 0 0 427.548 5.337 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1)c1cccs1 ZINC000033036064 556718615 /nfs/dbraw/zinc/71/86/15/556718615.db2.gz NCMQZSAECTWZIN-UHFFFAOYSA-N 0 0 444.944 5.584 50 0 IKAARN CC(C)CC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1 ZINC000033036132 556718650 /nfs/dbraw/zinc/71/86/50/556718650.db2.gz UDOFOCRSRQQYJU-UHFFFAOYSA-N 0 0 445.386 5.225 50 0 IKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)c2cccs2)cc1 ZINC000033036203 556718979 /nfs/dbraw/zinc/71/89/79/556718979.db2.gz VYQZRSPURVCLNF-UHFFFAOYSA-N 0 0 440.981 5.753 50 0 IKAARN Cc1ccc(NC(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2cccs2)cc1 ZINC000000838936 556719442 /nfs/dbraw/zinc/71/94/42/556719442.db2.gz GUGQWUFTWKDRKX-AQTBWJFISA-N 0 0 441.350 5.229 50 0 IKAARN COc1ccc(-c2coc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)c2=O)cc1OC ZINC000013730377 556720459 /nfs/dbraw/zinc/72/04/59/556720459.db2.gz PPUAZMNIWYNNGW-QGZVFWFLSA-N 0 0 443.499 5.390 50 0 biogenic IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000033037039 556721274 /nfs/dbraw/zinc/72/12/74/556721274.db2.gz NYOZIRNDROTDKK-UHFFFAOYSA-N 0 0 436.515 5.009 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000033037097 556721513 /nfs/dbraw/zinc/72/15/13/556721513.db2.gz TVNPTFXHULYWSR-UHFFFAOYSA-N 0 0 442.494 5.506 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 ZINC000005180328 556721983 /nfs/dbraw/zinc/72/19/83/556721983.db2.gz LDQGJZOUJXXAOB-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000033037160 556722049 /nfs/dbraw/zinc/72/20/49/556722049.db2.gz YWZXLUUPTLRLPU-UHFFFAOYSA-N 0 0 442.494 5.506 50 0 IKAARN O=C(/C=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(C(F)(F)F)c1 ZINC000033900687 556723115 /nfs/dbraw/zinc/72/31/15/556723115.db2.gz HLYQAFSDNUPVMM-TWGQIWQCSA-N 0 0 426.221 6.924 50 0 IKAARN O=c1c2ccccc2nc(/C=C\c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000033908113 556723385 /nfs/dbraw/zinc/72/33/85/556723385.db2.gz AYOVIYVKKAIURU-RAXLEYEMSA-N 0 0 426.825 6.228 50 0 IKAARN COc1ncccc1C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000071919362 556724366 /nfs/dbraw/zinc/72/43/66/556724366.db2.gz NSKLOVFFVMRKQM-UHFFFAOYSA-N 0 0 442.244 5.052 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c(C)c1 ZINC000033038205 556724659 /nfs/dbraw/zinc/72/46/59/556724659.db2.gz VHYCEGXQXPYOBY-UHFFFAOYSA-N 0 0 426.520 5.337 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccccc32)CC1 ZINC000072328380 556725518 /nfs/dbraw/zinc/72/55/18/556725518.db2.gz ZGJFMXWRNSBGCM-UHFFFAOYSA-N 0 0 448.998 5.149 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1N1CC=C(c2ccccc2)CC1)N1CCCCC1 ZINC000072328385 556725582 /nfs/dbraw/zinc/72/55/82/556725582.db2.gz SOURIMCAXIBHFM-UHFFFAOYSA-N 0 0 431.967 5.808 50 0 IKAARN COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1OC ZINC000072328464 556725819 /nfs/dbraw/zinc/72/58/19/556725819.db2.gz PASNAYQOPYZOLZ-UHFFFAOYSA-N 0 0 439.943 5.144 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cc(=O)c(OCc4cccc(Cl)c4)c[nH]3)sc2c1 ZINC000061718927 556725845 /nfs/dbraw/zinc/72/58/45/556725845.db2.gz WYPXHDHMDHNKQQ-UHFFFAOYSA-N 0 0 425.897 5.190 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000072328477 556725921 /nfs/dbraw/zinc/72/59/21/556725921.db2.gz RXTJNLMEMQFUJD-UHFFFAOYSA-N 0 0 447.888 6.145 50 0 IKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cccc(C(F)(F)F)c1 ZINC000072328538 556726151 /nfs/dbraw/zinc/72/61/51/556726151.db2.gz WRLAORPKHSUZDW-UHFFFAOYSA-N 0 0 435.877 6.001 50 0 IKAARN CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C(C)(C)C)cc4)ccn3n2)cc1Cl ZINC000072329611 556727373 /nfs/dbraw/zinc/72/73/73/556727373.db2.gz PYMQDJUCEGNXIA-UHFFFAOYSA-N 0 0 435.955 5.561 50 0 IKAARN CC(C)(C)c1ccc(-n2c(COc3ccccc3)nn(CN3CCCCC3)c2=S)cc1 ZINC000072329970 556727708 /nfs/dbraw/zinc/72/77/08/556727708.db2.gz AJJPSJDCVNFASZ-UHFFFAOYSA-N 0 0 436.625 5.723 50 0 IKAARN COc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(SC)cc3)nc21 ZINC000011143907 556728674 /nfs/dbraw/zinc/72/86/74/556728674.db2.gz RYVNREJTXBLHLW-MRXNPFEDSA-N 0 0 428.579 5.161 50 0 IKAARN Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccccc3Br)nc21 ZINC000011142975 556728916 /nfs/dbraw/zinc/72/89/16/556728916.db2.gz MRVAGHPBKUPJKY-OAHLLOKOSA-N 0 0 445.382 5.501 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000013775035 556730758 /nfs/dbraw/zinc/73/07/58/556730758.db2.gz XYUDXRXUPNUPII-GBXCKJPGSA-N 0 0 444.015 6.471 50 0 IKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Br)cc3F)c2c1 ZINC000072331959 556730960 /nfs/dbraw/zinc/73/09/60/556730960.db2.gz QMZIFMYTZXEUQT-UHFFFAOYSA-N 0 0 445.317 5.052 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCCC1)O2 ZINC000015227262 556731307 /nfs/dbraw/zinc/73/13/07/556731307.db2.gz CCOYJWMHPDOPRE-QHCPKHFHSA-N 0 0 437.370 7.351 50 0 IKAARN Cc1nn2c(ncc(C(=O)NCc3ccc(F)cc3)c2C(F)(F)F)c1-c1cccc(C)c1 ZINC000033039926 556731700 /nfs/dbraw/zinc/73/17/00/556731700.db2.gz UAPQOYJNEVPAAN-UHFFFAOYSA-N 0 0 442.416 5.101 50 0 IKAARN COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)c1 ZINC000033040751 556732434 /nfs/dbraw/zinc/73/24/34/556732434.db2.gz XBPPWLXCDCPWAR-QHCPKHFHSA-N 0 0 435.593 5.449 50 0 IKAARN COc1ccc(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)c(OC)c1 ZINC000055074246 556733933 /nfs/dbraw/zinc/73/39/33/556733933.db2.gz VGWXZBOZHXPXOR-UHFFFAOYSA-N 0 0 425.550 5.144 50 0 IKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)cc(Cl)c1OC ZINC000019314588 556735689 /nfs/dbraw/zinc/73/56/89/556735689.db2.gz XOPVYAKZUFVSAS-GOSISDBHSA-N 0 0 438.351 6.009 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccs1)CCCC3 ZINC000033042737 556735758 /nfs/dbraw/zinc/73/57/58/556735758.db2.gz IOTYVOGBELSZGU-JOCHJYFZSA-N 0 0 437.634 6.036 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccs1)CCCC3 ZINC000033042739 556735764 /nfs/dbraw/zinc/73/57/64/556735764.db2.gz IOTYVOGBELSZGU-QFIPXVFZSA-N 0 0 437.634 6.036 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1F)CCCC3 ZINC000033042925 556735909 /nfs/dbraw/zinc/73/59/09/556735909.db2.gz ZTDQLPWYWRPKNE-LJQANCHMSA-N 0 0 427.520 6.195 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(SC)c1)CCCC3 ZINC000033042928 556735937 /nfs/dbraw/zinc/73/59/37/556735937.db2.gz NBMYWTCUVBJBDF-HXUWFJFHSA-N 0 0 437.634 6.638 50 0 IKAARN c1ccc(COc2ccccc2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 ZINC000019324042 556736142 /nfs/dbraw/zinc/73/61/42/556736142.db2.gz ONKOZENLOBFQMI-UHFFFAOYSA-N 0 0 434.583 6.282 50 0 IKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(C(C)C)cc2)cc1 ZINC000019330082 556736417 /nfs/dbraw/zinc/73/64/17/556736417.db2.gz ZCSBSFFQOXOJGZ-UHFFFAOYSA-N 0 0 444.619 6.234 50 0 IKAARN c1ccc(COc2ccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)cc2)cc1 ZINC000019330155 556736540 /nfs/dbraw/zinc/73/65/40/556736540.db2.gz OLJLIOBDYHUZTQ-UHFFFAOYSA-N 0 0 434.583 6.282 50 0 IKAARN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)C1=Cc2cc(Cl)ccc2OC1 ZINC000078993122 556736868 /nfs/dbraw/zinc/73/68/68/556736868.db2.gz QPFBGJBAKGYFKR-UHFFFAOYSA-N 0 0 445.968 5.002 50 0 IKAARN COc1cc(C)c(-c2nc(CN3CCN(c4nc5ccccc5s4)CC3)c(C)o2)cc1C ZINC000055183293 556737319 /nfs/dbraw/zinc/73/73/19/556737319.db2.gz MCQTZGSNKONBEE-UHFFFAOYSA-N 0 0 448.592 5.207 50 0 IKAARN COc1ccc2cc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c(Cl)nc2c1 ZINC000019333492 556737804 /nfs/dbraw/zinc/73/78/04/556737804.db2.gz QZFXJTVAZLLXQS-UHFFFAOYSA-N 0 0 443.978 5.913 50 0 IKAARN CN(Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)Cc1ccccc1 ZINC000055254001 556738878 /nfs/dbraw/zinc/73/88/78/556738878.db2.gz XXQGSPHLIWXHBB-UHFFFAOYSA-N 0 0 435.984 5.240 50 0 IKAARN Clc1ccc(CN2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)c(Cl)c1 ZINC000055250659 556738936 /nfs/dbraw/zinc/73/89/36/556738936.db2.gz VPHYSHCDPKMOCA-UHFFFAOYSA-N 0 0 433.408 5.199 50 0 IKAARN CC(C)c1ccc(CNC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000033048066 556743487 /nfs/dbraw/zinc/74/34/87/556743487.db2.gz GOIOQJJGBINIBB-UHFFFAOYSA-N 0 0 426.564 5.242 50 0 IKAARN O=c1[nH]c(C(Cl)=Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)nc2ccccc12 ZINC000084585313 556743444 /nfs/dbraw/zinc/74/34/44/556743444.db2.gz MVUZHZWMDXZUPW-VEMDQMBVSA-N 0 0 448.750 5.944 50 0 IKAARN COc1ccccc1/C=C/c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C ZINC000005235199 556746317 /nfs/dbraw/zinc/74/63/17/556746317.db2.gz NFAGDTDGOAKMEC-ISLYRVAYSA-N 0 0 425.532 5.657 50 0 IKAARN CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000005235885 556746652 /nfs/dbraw/zinc/74/66/52/556746652.db2.gz ACDHODYVZJSQEN-UHFFFAOYSA-N 0 0 427.976 5.254 50 0 IKAARN Cc1cccc(-c2nnc(NC(=O)c3cc4ccccc4o/c3=N\c3ccccc3)s2)c1 ZINC000057523736 556748066 /nfs/dbraw/zinc/74/80/66/556748066.db2.gz CAPAMMSHBGGOQD-RWEWTDSWSA-N 0 0 438.512 5.744 50 0 IKAARN CCC[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000060367802 556748452 /nfs/dbraw/zinc/74/84/52/556748452.db2.gz PZLRSWHQYZYOJJ-MRXNPFEDSA-N 0 0 448.894 5.002 50 0 IKAARN Cc1c(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1C ZINC000019371981 556748762 /nfs/dbraw/zinc/74/87/62/556748762.db2.gz RTMRSMKPNRDRKC-UHFFFAOYSA-N 0 0 437.587 5.077 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2ccc(Br)cc2)cc1 ZINC000072333667 556750100 /nfs/dbraw/zinc/75/01/00/556750100.db2.gz UJBQHSAHUNFKMK-VWNXMTODSA-N 0 0 433.349 6.174 50 0 IKAARN c1ccc(-c2ccc(C3=NN4[C@@H](C3)c3ccccc3O[C@@H]4c3ccc4c(c3)OCO4)cc2)cc1 ZINC000072333670 556750115 /nfs/dbraw/zinc/75/01/15/556750115.db2.gz MIPVESRQRJKQNG-ABYGYWHVSA-N 0 0 446.506 6.325 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000147169592 556750878 /nfs/dbraw/zinc/75/08/78/556750878.db2.gz DGHNSOORNPGMCA-HUMMLCHQSA-N 0 0 426.645 5.278 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000072332628 556750911 /nfs/dbraw/zinc/75/09/11/556750911.db2.gz PLPOQLSFCNESQK-URXFXBBRSA-N 0 0 447.332 5.510 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000072332623 556750971 /nfs/dbraw/zinc/75/09/71/556750971.db2.gz PXJJKLJKCJJZCP-WNCULLNHSA-N 0 0 436.536 6.168 50 0 IKAARN CCCCCC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000072332630 556750994 /nfs/dbraw/zinc/75/09/94/556750994.db2.gz ADHFDROAWBZRKA-GMAHTHKFSA-N 0 0 427.386 6.679 50 0 IKAARN COc1ccccc1-c1nn(CN(C)Cc2c(C)nn(-c3ccccc3C)c2C)c(=S)o1 ZINC000058003837 556752370 /nfs/dbraw/zinc/75/23/70/556752370.db2.gz FETDOOKMBBATEY-UHFFFAOYSA-N 0 0 449.580 5.082 50 0 IKAARN C[C@@H](NC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl ZINC000058031990 556755205 /nfs/dbraw/zinc/75/52/05/556755205.db2.gz CLIIADXZFLHZJQ-CQSZACIVSA-N 0 0 425.319 5.665 50 0 IKAARN CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)C(C)(C)C)cc2c1 ZINC000058133952 556760485 /nfs/dbraw/zinc/76/04/85/556760485.db2.gz CBRSFZFOUSUIDN-HSZRJFAPSA-N 0 0 449.982 6.319 50 0 IKAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000002322943 556760818 /nfs/dbraw/zinc/76/08/18/556760818.db2.gz MXOASUBCAMGIBF-HNNXBMFYSA-N 0 0 446.400 6.281 50 0 IKAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000002371002 556760984 /nfs/dbraw/zinc/76/09/84/556760984.db2.gz TVDPOCVINOIXSD-HRFSGMKKSA-N 0 0 430.312 5.717 50 0 IKAARN CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(Cl)ccc1Cl ZINC000058144484 556761368 /nfs/dbraw/zinc/76/13/68/556761368.db2.gz JTTVUCNJAYOSGE-UHFFFAOYSA-N 0 0 432.273 5.287 50 0 IKAARN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001011184 556761856 /nfs/dbraw/zinc/76/18/56/556761856.db2.gz XZZDRPIAPZCQQN-YBFXNURJSA-N 0 0 440.864 5.745 50 0 IKAARN CC(C)CCn1nc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c2ccccc2c1=O ZINC000058155433 556762442 /nfs/dbraw/zinc/76/24/42/556762442.db2.gz UFRNTDUABKEQKH-UHFFFAOYSA-N 0 0 441.934 5.040 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccccc2Cl)CO4)cc1 ZINC000061997680 556763779 /nfs/dbraw/zinc/76/37/79/556763779.db2.gz POAHFFGBUOONNO-UHFFFAOYSA-N 0 0 447.918 5.783 50 0 biogenic IKAARN COc1ccc(CN2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)c(OC)c1 ZINC000061997688 556764088 /nfs/dbraw/zinc/76/40/88/556764088.db2.gz ZAMDTQYULVCYAI-UHFFFAOYSA-N 0 0 443.499 5.138 50 0 biogenic IKAARN Fc1cccc(-c2noc([C@H]3CCCN(c4ncc(C(F)(F)F)cc4Cl)C3)n2)c1 ZINC000058159794 556764104 /nfs/dbraw/zinc/76/41/04/556764104.db2.gz WRAJREWLUBTJHX-LBPRGKRZSA-N 0 0 426.801 5.327 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160422 556764318 /nfs/dbraw/zinc/76/43/18/556764318.db2.gz WJJMKBPCVDAWRD-AREMUKBSSA-N 0 0 441.575 5.334 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000058160426 556764493 /nfs/dbraw/zinc/76/44/93/556764493.db2.gz ASIJORRVWBKIIA-RUZDIDTESA-N 0 0 427.548 5.026 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(Cl)cc2F)=Nc2ccccc2N1 ZINC000062006667 556764803 /nfs/dbraw/zinc/76/48/03/556764803.db2.gz PUYXEKKWDPNSBV-UHFFFAOYSA-N 0 0 447.919 5.144 50 0 IKAARN Cc1ccc(NC(=O)Cn2cc(-c3nnc(-c4ccco4)o3)c3ccccc32)cc1Cl ZINC000062007456 556765737 /nfs/dbraw/zinc/76/57/37/556765737.db2.gz WRMKFZOMMHJUQG-UHFFFAOYSA-N 0 0 432.867 5.552 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058164488 556766450 /nfs/dbraw/zinc/76/64/50/556766450.db2.gz KDHVDEPHRNYAJC-XMMPIXPASA-N 0 0 445.563 5.995 50 0 IKAARN COc1cc(C=O)ccc1OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000001178222 556767779 /nfs/dbraw/zinc/76/77/79/556767779.db2.gz FUMSQWRSTOZJQN-GXDHUFHOSA-N 0 0 442.446 5.118 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000058173638 556768870 /nfs/dbraw/zinc/76/88/70/556768870.db2.gz QVAHQQLDJIPAIJ-QFIPXVFZSA-N 0 0 444.522 5.012 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(COCc2ccc(F)cc2)CC1 ZINC000206599331 556770453 /nfs/dbraw/zinc/77/04/53/556770453.db2.gz SBXUDTVFGVEAAI-UHFFFAOYSA-N 0 0 431.551 5.803 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058208769 556771673 /nfs/dbraw/zinc/77/16/73/556771673.db2.gz AWJKEZLPJAPKJZ-LDCALFFHSA-N 0 0 430.592 5.239 50 0 IKAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058210146 556771925 /nfs/dbraw/zinc/77/19/25/556771925.db2.gz XDMLBWGHLDTGRD-GBXBDOIYSA-N 0 0 436.983 5.275 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)C[C@H]3CCCO3)cc12 ZINC000058227774 556774005 /nfs/dbraw/zinc/77/40/05/556774005.db2.gz YNGCGLUXSMGIQG-OAHLLOKOSA-N 0 0 438.380 5.012 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2nc(-c3ccccc3)cs2)s1 ZINC000058264228 556776000 /nfs/dbraw/zinc/77/60/00/556776000.db2.gz OOOVZFAAJNUZAC-GDNBJRDFSA-N 0 0 442.928 5.790 50 0 IKAARN Cc1sc2nc(SCc3nccn3CC(F)(F)F)n(C3CCCC3)c(=O)c2c1C ZINC000058297758 556778259 /nfs/dbraw/zinc/77/82/59/556778259.db2.gz GZIBUDFQPPRRTO-UHFFFAOYSA-N 0 0 442.532 5.241 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000058314853 556780456 /nfs/dbraw/zinc/78/04/56/556780456.db2.gz FMBQHVCLPMJFRG-VGSWGCGISA-N 0 0 427.504 5.094 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1)c1ccco1 ZINC000058327716 556780979 /nfs/dbraw/zinc/78/09/79/556780979.db2.gz IAJMEQRMEVGCSL-LJQANCHMSA-N 0 0 429.303 5.816 50 0 IKAARN Cc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cccc1C(=O)Nc1ccccc1 ZINC000058342125 556781835 /nfs/dbraw/zinc/78/18/35/556781835.db2.gz NZFRHSUXQNAAQW-UHFFFAOYSA-N 0 0 444.462 5.811 50 0 IKAARN CCCN(C(=O)CCSc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000058356899 556782745 /nfs/dbraw/zinc/78/27/45/556782745.db2.gz PGEQPQSKJGFZLU-UHFFFAOYSA-N 0 0 445.028 5.366 50 0 IKAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)c3ccc(F)c(F)c3)c12 ZINC000058378158 556784056 /nfs/dbraw/zinc/78/40/56/556784056.db2.gz YNOGFKHXQGLHHG-UHFFFAOYSA-N 0 0 447.363 5.772 50 0 IKAARN Nc1c(Cl)cc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1Cl ZINC000058377979 556784061 /nfs/dbraw/zinc/78/40/61/556784061.db2.gz AJHJWSGTKLLMDC-UHFFFAOYSA-N 0 0 429.394 5.462 50 0 IKAARN COc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c(Br)c1OC ZINC000058391340 556784846 /nfs/dbraw/zinc/78/48/46/556784846.db2.gz PONXJIBHMKRZRV-UHFFFAOYSA-N 0 0 446.326 5.290 50 0 IKAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000058405543 556785894 /nfs/dbraw/zinc/78/58/94/556785894.db2.gz JQVHTPOIVOXMLY-UHFFFAOYSA-N 0 0 441.375 5.620 50 0 IKAARN C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000058413236 556786619 /nfs/dbraw/zinc/78/66/19/556786619.db2.gz BMONDCWWAYVERR-HNNXBMFYSA-N 0 0 430.470 5.279 50 0 IKAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCCc4cc(OC(F)(F)F)ccc43)cc2)n1 ZINC000058413565 556786665 /nfs/dbraw/zinc/78/66/65/556786665.db2.gz RQQGLAVQRLLLRL-UHFFFAOYSA-N 0 0 429.442 5.040 50 0 IKAARN CC(C)(C)c1nc(-c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc2)no1 ZINC000058417113 556787001 /nfs/dbraw/zinc/78/70/01/556787001.db2.gz ISMWXFSVAMXBOK-UHFFFAOYSA-N 0 0 441.915 5.030 50 0 IKAARN CO[C@H]1CCN(c2ccc(NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)cc2)C1 ZINC000096381995 556790044 /nfs/dbraw/zinc/79/00/44/556790044.db2.gz ZBWLLLBFJVBIPL-QFIPXVFZSA-N 0 0 442.968 5.033 50 0 IKAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000058718711 556791402 /nfs/dbraw/zinc/79/14/02/556791402.db2.gz XCWBQXGTPZPALK-UHFFFAOYSA-N 0 0 427.835 5.488 50 0 IKAARN CC(C)c1c(C(=O)NC[C@@H](c2ccccc2)C(C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058774903 556791932 /nfs/dbraw/zinc/79/19/32/556791932.db2.gz NYSIXSWXRHCEDI-LJQANCHMSA-N 0 0 444.501 5.579 50 0 IKAARN CC(C)(C)C(=O)NCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)s1 ZINC000011181405 556791957 /nfs/dbraw/zinc/79/19/57/556791957.db2.gz BXVZBNLHCOKJHV-UHFFFAOYSA-N 0 0 439.606 5.549 50 0 IKAARN CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 ZINC000011181418 556792272 /nfs/dbraw/zinc/79/22/72/556792272.db2.gz SEGRHWICPDMIFA-MRXNPFEDSA-N 0 0 433.577 5.283 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1)c1ccco1 ZINC000011181943 556792332 /nfs/dbraw/zinc/79/23/32/556792332.db2.gz XANMJJXEDLPJNA-UHFFFAOYSA-N 0 0 431.473 5.098 50 0 IKAARN O=C(NCc1cc2ccccc2[nH]1)c1cccnc1Oc1ccc(F)cc1Br ZINC000058900586 556792735 /nfs/dbraw/zinc/79/27/35/556792735.db2.gz SWPASTOCBFBJAU-UHFFFAOYSA-N 0 0 440.272 5.187 50 0 IKAARN Cc1cccc(/C=C(\C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c2cccs2)c1 ZINC000043698911 556794011 /nfs/dbraw/zinc/79/40/11/556794011.db2.gz DYCMBXVGVLISJB-XLNRJJMWSA-N 0 0 446.620 5.168 50 0 IKAARN COc1cc([C@H](C)NC(=O)c2cc3c(cccc3F)s2)ccc1OCc1ccncc1 ZINC000059316069 556797720 /nfs/dbraw/zinc/79/77/20/556797720.db2.gz RJQXXUNBDBZQNK-HNNXBMFYSA-N 0 0 436.508 5.514 50 0 IKAARN Cc1cc2oc(=O)cc(CSc3nnc(COc4ccc(F)cc4)o3)c2cc1C(C)C ZINC000011195367 556798014 /nfs/dbraw/zinc/79/80/14/556798014.db2.gz SNCDVGCJUHHNMC-UHFFFAOYSA-N 0 0 440.496 5.618 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000002030615 556798380 /nfs/dbraw/zinc/79/83/80/556798380.db2.gz VLKYFXMNPPEDFY-UHFFFAOYSA-N 0 0 448.522 6.039 50 0 IKAARN CCOC(=O)c1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 ZINC000001840349 556798490 /nfs/dbraw/zinc/79/84/90/556798490.db2.gz IZRPBKAWHNRZID-UHFFFAOYSA-N 0 0 425.421 6.158 50 0 IKAARN CCCCCOc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 ZINC000001859196 556798707 /nfs/dbraw/zinc/79/87/07/556798707.db2.gz LURYJIPDMXXWSL-UHFFFAOYSA-N 0 0 439.492 7.550 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3cccc(OCc4cccc(F)c4)c3)C(=O)O2)cc1 ZINC000002084369 556798803 /nfs/dbraw/zinc/79/88/03/556798803.db2.gz ZBVHNWVIPQMRPR-LFVJCYFKSA-N 0 0 429.491 6.047 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)c1 ZINC000033050482 556798873 /nfs/dbraw/zinc/79/88/73/556798873.db2.gz RGAHRROSBXMTAY-UHFFFAOYSA-N 0 0 433.552 5.596 50 0 IKAARN CCCOc1c(Br)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OCC ZINC000002081247 556799134 /nfs/dbraw/zinc/79/91/34/556799134.db2.gz LLIDTGYUMZPQCT-BOPFTXTBSA-N 0 0 448.288 5.120 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2n1CCOc1ccc(F)cc1)c1ccccc1 ZINC000033050391 556799524 /nfs/dbraw/zinc/79/95/24/556799524.db2.gz NJVFEYJEDRQJRG-UHFFFAOYSA-N 0 0 435.524 5.010 50 0 IKAARN CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000072400996 556799731 /nfs/dbraw/zinc/79/97/31/556799731.db2.gz MDBSAYPYANEDRT-UHFFFAOYSA-N 0 0 443.528 5.063 50 0 IKAARN Cc1ccc(Cl)cc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000002592890 556800078 /nfs/dbraw/zinc/80/00/78/556800078.db2.gz KMKSRGFKFZZLJF-UHFFFAOYSA-N 0 0 442.666 7.633 50 0 IKAARN O=C1N=C(Nc2cccc(OC(F)(F)F)c2)C(=Cc2cc3ccccc3[nH]c2=O)S1 ZINC000072401151 556800066 /nfs/dbraw/zinc/80/00/66/556800066.db2.gz ZXLUROLQSIUPFH-SXGWCWSVSA-N 0 0 431.395 5.145 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000002619400 556800283 /nfs/dbraw/zinc/80/02/83/556800283.db2.gz HPOBTHBBVCMMJU-NRFANRHFSA-N 0 0 444.840 6.041 50 0 IKAARN CCc1nc2ccccc2c(C(=O)OCCCC(=O)c2ccc(Br)cc2)c1C ZINC000002617046 556800300 /nfs/dbraw/zinc/80/03/00/556800300.db2.gz NERWJFDZUTZRCZ-UHFFFAOYSA-N 0 0 440.337 5.688 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002617329 556800344 /nfs/dbraw/zinc/80/03/44/556800344.db2.gz UBFUAKSVGIPCOE-UHFFFAOYSA-N 0 0 444.918 5.600 50 0 IKAARN O=C(CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1)c1ccc[nH]1 ZINC000002622891 556800548 /nfs/dbraw/zinc/80/05/48/556800548.db2.gz WGADOMJGVPQULM-UHFFFAOYSA-N 0 0 443.553 5.417 50 0 IKAARN O=C1N=C(Nc2ccc(OC(F)(F)F)cc2)C(=Cc2cc3ccccc3[nH]c2=O)S1 ZINC000072401435 556800660 /nfs/dbraw/zinc/80/06/60/556800660.db2.gz JCXVKUKCOAWQPC-YBEGLDIGSA-N 0 0 431.395 5.145 50 0 IKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 ZINC000072400794 556801214 /nfs/dbraw/zinc/80/12/14/556801214.db2.gz AZFGEWGBZDEHLC-BEFAXECRSA-N 0 0 438.597 5.095 50 0 IKAARN O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000072401740 556801432 /nfs/dbraw/zinc/80/14/32/556801432.db2.gz KEBHEIXZETVTAJ-DEOSSOPVSA-N 0 0 427.548 5.601 50 0 IKAARN O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(Oc2ccccc2)cc1 ZINC000002644063 556801913 /nfs/dbraw/zinc/80/19/13/556801913.db2.gz QJQBVUSRGHIAQX-UHFFFAOYSA-N 0 0 432.501 5.013 50 0 IKAARN Cc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1C ZINC000002648557 556802256 /nfs/dbraw/zinc/80/22/56/556802256.db2.gz KYDGSCAWRDXKIU-UHFFFAOYSA-N 0 0 426.438 5.756 50 0 IKAARN Fc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)c1 ZINC000002651353 556802287 /nfs/dbraw/zinc/80/22/87/556802287.db2.gz GDHZGSGQKWNQED-UHFFFAOYSA-N 0 0 429.904 5.583 50 0 IKAARN CCOc1cc(C(=O)NCc2ccccc2Cl)ccc1OCCOc1ccccc1 ZINC000002652979 556802531 /nfs/dbraw/zinc/80/25/31/556802531.db2.gz RQQRAQWNRNHYJL-UHFFFAOYSA-N 0 0 425.912 5.127 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCCc2ccccc21 ZINC000002658500 556802743 /nfs/dbraw/zinc/80/27/43/556802743.db2.gz CYLJMTIHOGVOLE-JOCHJYFZSA-N 0 0 444.884 6.491 50 0 IKAARN Cc1ccc(-n2c(SCCCOc3ccc(F)cc3)nnc2-c2ccccc2)cc1C ZINC000002656153 556802831 /nfs/dbraw/zinc/80/28/31/556802831.db2.gz OSNDEXWMLKAKCY-UHFFFAOYSA-N 0 0 433.552 6.251 50 0 IKAARN CC(C)Cn1nc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c2ccccc2c1=O ZINC000002657346 556802928 /nfs/dbraw/zinc/80/29/28/556802928.db2.gz QBCKLHNDHOEJMJ-UHFFFAOYSA-N 0 0 438.940 5.082 50 0 IKAARN COc1cc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)ccc1OC(F)F ZINC000002662188 556803051 /nfs/dbraw/zinc/80/30/51/556803051.db2.gz KVSWWXMKHGUDOT-UHFFFAOYSA-N 0 0 437.493 5.001 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc12 ZINC000002664627 556803061 /nfs/dbraw/zinc/80/30/61/556803061.db2.gz HSVXYTXUIHORRM-UHFFFAOYSA-N 0 0 443.503 6.579 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)s1 ZINC000002665006 556803122 /nfs/dbraw/zinc/80/31/22/556803122.db2.gz OZZWGRURQZWJAC-HNNXBMFYSA-N 0 0 440.594 5.140 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 ZINC000002665264 556803142 /nfs/dbraw/zinc/80/31/42/556803142.db2.gz VKJMKBDCCDNZOM-UHFFFAOYSA-N 0 0 430.529 5.958 50 0 IKAARN CCCOc1ccc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c(C)c1 ZINC000059825842 556804537 /nfs/dbraw/zinc/80/45/37/556804537.db2.gz CEOSJHQJKWHEIA-UHFFFAOYSA-N 0 0 426.538 5.106 50 0 IKAARN Cc1ccc(C)c(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccc(Cl)c2)c1 ZINC000003247524 556804698 /nfs/dbraw/zinc/80/46/98/556804698.db2.gz ZSGHHGFOSFXNNT-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)c3nc(-c4ccccc4)no3)s2)c1 ZINC000059851453 556804871 /nfs/dbraw/zinc/80/48/71/556804871.db2.gz WLKPZQVLLCSVCI-LBPRGKRZSA-N 0 0 438.538 5.143 50 0 IKAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003247840 556804992 /nfs/dbraw/zinc/80/49/92/556804992.db2.gz GQJOSNWKSWWNKW-CQSZACIVSA-N 0 0 442.437 5.316 50 0 IKAARN CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000003250549 556805000 /nfs/dbraw/zinc/80/50/00/556805000.db2.gz HJIVDYUANIJMTI-HSZRJFAPSA-N 0 0 429.589 5.617 50 0 IKAARN Cc1ccc(-n2c(SCCCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2)cc1C ZINC000003252803 556805269 /nfs/dbraw/zinc/80/52/69/556805269.db2.gz DXQKXHFCVCFIEL-UHFFFAOYSA-N 0 0 445.563 6.445 50 0 IKAARN COc1ccc(-c2nc(NC(=O)CSc3nc4ccccc4s3)sc2C)cc1 ZINC000003218158 556805501 /nfs/dbraw/zinc/80/55/01/556805501.db2.gz PUHYJRPTCLGHTO-UHFFFAOYSA-N 0 0 427.576 5.468 50 0 IKAARN COc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003224644 556805717 /nfs/dbraw/zinc/80/57/17/556805717.db2.gz HHSHYBOHDPJBOM-UHFFFAOYSA-N 0 0 441.936 5.436 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003224795 556805724 /nfs/dbraw/zinc/80/57/24/556805724.db2.gz IKPXKNJXHNQJSJ-UHFFFAOYSA-N 0 0 439.682 5.406 50 0 IKAARN CCOc1ccccc1Nc1nnc(SCC(=O)N(c2ccccc2)C(C)C)s1 ZINC000003228773 556805791 /nfs/dbraw/zinc/80/57/91/556805791.db2.gz GDNFQWRUJLAFLL-UHFFFAOYSA-N 0 0 428.583 5.214 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCCc2ccccc21 ZINC000003235629 556806256 /nfs/dbraw/zinc/80/62/56/556806256.db2.gz VZIOZECBCDRVPC-UHFFFAOYSA-N 0 0 440.474 5.177 50 0 IKAARN Cc1oc2cc(OCc3cc(Cl)ccc3OC(F)F)ccc2c(=O)c1-c1ccccc1 ZINC000003235042 556806337 /nfs/dbraw/zinc/80/63/37/556806337.db2.gz BXLYSUHCHIOLBH-UHFFFAOYSA-N 0 0 442.845 6.602 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003239123 556806540 /nfs/dbraw/zinc/80/65/40/556806540.db2.gz RIVYYNKOUKFEFY-VIFPVBQESA-N 0 0 437.106 5.249 50 0 IKAARN O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003239011 556806611 /nfs/dbraw/zinc/80/66/11/556806611.db2.gz ZTBXHMYALOIPFX-UHFFFAOYSA-N 0 0 427.498 5.749 50 0 IKAARN C[C@@H](Nc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 ZINC000060100691 556806684 /nfs/dbraw/zinc/80/66/84/556806684.db2.gz NAFGYSUFEFKYJK-MJGOQNOKSA-N 0 0 435.959 5.158 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003291888 556806913 /nfs/dbraw/zinc/80/69/13/556806913.db2.gz WOCUCVHNALIGSY-UHFFFAOYSA-N 0 0 437.524 6.645 50 0 IKAARN Cc1cccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)c1C ZINC000003292700 556806965 /nfs/dbraw/zinc/80/69/65/556806965.db2.gz QLQLLMLHVAEAJO-UHFFFAOYSA-N 0 0 436.400 5.832 50 0 IKAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2Cl)n1 ZINC000060166531 556807108 /nfs/dbraw/zinc/80/71/08/556807108.db2.gz QYYLMYQYMSMHCC-ZDUSSCGKSA-N 0 0 449.313 5.398 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)ccc21 ZINC000003257404 556807149 /nfs/dbraw/zinc/80/71/49/556807149.db2.gz RDAVTXBYOZRFAG-UHFFFAOYSA-N 0 0 447.749 6.792 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2cccc(C)c2)cc1 ZINC000003293272 556807200 /nfs/dbraw/zinc/80/72/00/556807200.db2.gz PBFICRCPWILRMK-UHFFFAOYSA-N 0 0 442.588 5.002 50 0 IKAARN O=C(Nc1nc2c(cc(F)c(F)c2F)s1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003269640 556807511 /nfs/dbraw/zinc/80/75/11/556807511.db2.gz PJMWIPTXWJCLAR-UHFFFAOYSA-N 0 0 435.430 6.181 50 0 IKAARN COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000003266375 556807540 /nfs/dbraw/zinc/80/75/40/556807540.db2.gz SOYARNMLRAJMOE-UHFFFAOYSA-N 0 0 440.377 5.881 50 0 IKAARN Cc1ccc(C)c(NC(=O)COC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)c1 ZINC000003266824 556807560 /nfs/dbraw/zinc/80/75/60/556807560.db2.gz XJTSCQTUMMWQRG-IBGZPJMESA-N 0 0 444.575 5.798 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000003265524 556807568 /nfs/dbraw/zinc/80/75/68/556807568.db2.gz RUPITYXRRBCEJX-UHFFFAOYSA-N 0 0 443.908 5.269 50 0 IKAARN O=C(Nc1ccccc1F)C(=Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000003266754 556807653 /nfs/dbraw/zinc/80/76/53/556807653.db2.gz WBRMAOUNHBVBMX-UHFFFAOYSA-N 0 0 446.375 5.644 50 0 IKAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003276248 556808125 /nfs/dbraw/zinc/80/81/25/556808125.db2.gz QWEHDLTZJLQJDV-UHFFFAOYSA-N 0 0 425.937 5.736 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2CCc2ccccc2)cc1 ZINC000003283136 556808392 /nfs/dbraw/zinc/80/83/92/556808392.db2.gz ZRWHMRURKQJZSG-UHFFFAOYSA-N 0 0 435.980 6.142 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)s2)c1C ZINC000003284042 556808519 /nfs/dbraw/zinc/80/85/19/556808519.db2.gz ZCVXTHZECFPCQJ-UHFFFAOYSA-N 0 0 438.500 5.648 50 0 IKAARN Cc1ccc(Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)cc1 ZINC000003287038 556808639 /nfs/dbraw/zinc/80/86/39/556808639.db2.gz QOVDHZQGGNAMHX-UHFFFAOYSA-N 0 0 438.021 7.178 50 0 IKAARN COc1ccccc1Nc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000003287452 556808654 /nfs/dbraw/zinc/80/86/54/556808654.db2.gz LMXFDSKMBONPSQ-UHFFFAOYSA-N 0 0 427.298 5.219 50 0 IKAARN CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 ZINC000003303479 556808966 /nfs/dbraw/zinc/80/89/66/556808966.db2.gz UENDXRXIQROROF-UHFFFAOYSA-N 0 0 436.514 5.023 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2)c1 ZINC000003302737 556808997 /nfs/dbraw/zinc/80/89/97/556808997.db2.gz WSHULJBVTGYSER-LJAQVGFWSA-N 0 0 449.550 6.436 50 0 IKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000003328312 556809157 /nfs/dbraw/zinc/80/91/57/556809157.db2.gz JKAGIBCLBOOUBF-IBGZPJMESA-N 0 0 442.868 6.402 50 0 IKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000003328313 556809248 /nfs/dbraw/zinc/80/92/48/556809248.db2.gz JKAGIBCLBOOUBF-LJQANCHMSA-N 0 0 442.868 6.402 50 0 IKAARN CC[C@H](C)n1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000003308150 556809356 /nfs/dbraw/zinc/80/93/56/556809356.db2.gz XAMOAPJNSOAULI-AWEZNQCLSA-N 0 0 427.595 5.039 50 0 IKAARN Cc1ccc(C(=O)[C@H](Sc2ncc(C(F)(F)F)cc2Cl)c2ccc(C)cc2)cc1 ZINC000003308064 556809488 /nfs/dbraw/zinc/80/94/88/556809488.db2.gz TVSUBGKAJXMXII-HXUWFJFHSA-N 0 0 435.898 7.087 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)COC(=O)CSc3ccc(Cl)cc3)n2)cc1 ZINC000003316102 556809966 /nfs/dbraw/zinc/80/99/66/556809966.db2.gz PQQIVSHDCNLRIX-UHFFFAOYSA-N 0 0 432.954 5.046 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003326896 556810617 /nfs/dbraw/zinc/81/06/17/556810617.db2.gz NFUIHZGQIRBXLE-KRXBUXKQSA-N 0 0 434.197 5.087 50 0 IKAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000003327936 556810738 /nfs/dbraw/zinc/81/07/38/556810738.db2.gz MALZDSRBUGQHOG-UHFFFAOYSA-N 0 0 426.891 6.017 50 0 IKAARN Cc1nc2ccc(NC(=O)c3oc4ccccc4c3CSCc3ccccc3)cc2s1 ZINC000003297625 556811015 /nfs/dbraw/zinc/81/10/15/556811015.db2.gz FYSKOLKJKKZNHJ-UHFFFAOYSA-N 0 0 444.581 7.037 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1Br ZINC000003295543 556811046 /nfs/dbraw/zinc/81/10/46/556811046.db2.gz WVDOKIKOIXRTEN-UHFFFAOYSA-N 0 0 446.300 5.704 50 0 IKAARN COc1cc(-c2cc(C(=O)OCc3cccs3)c3ccccc3n2)cc(OC)c1OC ZINC000003299049 556811298 /nfs/dbraw/zinc/81/12/98/556811298.db2.gz GKSUFXRNORVWJM-UHFFFAOYSA-N 0 0 435.501 5.346 50 0 IKAARN CCCCc1nnc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 ZINC000011204723 556811756 /nfs/dbraw/zinc/81/17/56/556811756.db2.gz KSAAYKAMICPGDJ-UHFFFAOYSA-N 0 0 426.571 5.187 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000003369439 556812000 /nfs/dbraw/zinc/81/20/00/556812000.db2.gz UNUNWTNMDIZFFL-UHFFFAOYSA-N 0 0 427.859 5.045 50 0 IKAARN CCCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)CCCC3 ZINC000003365801 556812102 /nfs/dbraw/zinc/81/21/02/556812102.db2.gz JAINIIRDFUVYNA-UHFFFAOYSA-N 0 0 439.433 6.346 50 0 IKAARN C[C@H](NC(=O)/C=C\c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000034255767 556812297 /nfs/dbraw/zinc/81/22/97/556812297.db2.gz LAOSXDFJKGEUSY-SSCKCOOKSA-N 0 0 440.330 5.875 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(Cl)c1 ZINC000003371590 556812301 /nfs/dbraw/zinc/81/23/01/556812301.db2.gz GIECRMIMNUXLPQ-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(OC(F)F)cc4)c32)C1 ZINC000003371011 556812317 /nfs/dbraw/zinc/81/23/17/556812317.db2.gz ZYNKWXKHFHHGBB-NSHDSACASA-N 0 0 435.521 5.148 50 0 IKAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(F)cc1Cl ZINC000003330775 556812557 /nfs/dbraw/zinc/81/25/57/556812557.db2.gz AGELBFQUDMSRMJ-ZDUSSCGKSA-N 0 0 439.915 5.288 50 0 IKAARN CC(C)(C)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000003340273 556813067 /nfs/dbraw/zinc/81/30/67/556813067.db2.gz ITUYBDIYNLWUPK-UHFFFAOYSA-N 0 0 427.997 6.029 50 0 IKAARN O=C(/C=C/c1ccc(F)cc1)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003341952 556813104 /nfs/dbraw/zinc/81/31/04/556813104.db2.gz ZOPDPPDILCGTQC-MDWZMJQESA-N 0 0 425.843 5.467 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)c2cc(C)c(C)cc2C)n1Cc1ccco1 ZINC000003345718 556813298 /nfs/dbraw/zinc/81/32/98/556813298.db2.gz MTPCXCGCAHQNKH-UHFFFAOYSA-N 0 0 447.560 5.495 50 0 IKAARN O=C(Cc1ccc(Cl)cc1Cl)O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003343758 556813388 /nfs/dbraw/zinc/81/33/88/556813388.db2.gz DOQSWLOMFHBCBW-XMMPIXPASA-N 0 0 438.310 6.185 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000003383973 556814183 /nfs/dbraw/zinc/81/41/83/556814183.db2.gz IRKJGESZGLIHHE-OAHLLOKOSA-N 0 0 427.331 5.666 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1OC ZINC000003399656 556814404 /nfs/dbraw/zinc/81/44/04/556814404.db2.gz RIVWCCYBUWNCCN-UHFFFAOYSA-N 0 0 445.446 5.098 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1cccc(C)c1 ZINC000003398958 556814452 /nfs/dbraw/zinc/81/44/52/556814452.db2.gz NPAQRAHUQWBADF-UHFFFAOYSA-N 0 0 428.941 5.604 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C ZINC000003407476 556814650 /nfs/dbraw/zinc/81/46/50/556814650.db2.gz RFGQLGJDIDBCNE-SNVBAGLBSA-N 0 0 444.866 5.175 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000003414205 556814895 /nfs/dbraw/zinc/81/48/95/556814895.db2.gz PTFIKJCXKUDOLR-UHFFFAOYSA-N 0 0 429.383 6.051 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2-c2ccccc2)c1 ZINC000003420348 556814901 /nfs/dbraw/zinc/81/49/01/556814901.db2.gz DKOIBWLLEZGVOM-UHFFFAOYSA-N 0 0 440.572 5.462 50 0 IKAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000003418793 556815007 /nfs/dbraw/zinc/81/50/07/556815007.db2.gz JXBHHHDBQCZEGV-KRWDZBQOSA-N 0 0 442.821 5.152 50 0 IKAARN COc1cccc(-c2nc(C(=O)Nc3ccccc3Oc3ccccc3)cs2)c1OC ZINC000022990651 556815096 /nfs/dbraw/zinc/81/50/96/556815096.db2.gz YVWWQTMZESFAAN-UHFFFAOYSA-N 0 0 432.501 5.872 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)c2c(C)cc(C)cc2C)nc2ccccc2c1=O ZINC000003440777 556815454 /nfs/dbraw/zinc/81/54/54/556815454.db2.gz MHGRGBYZOBVPBZ-UHFFFAOYSA-N 0 0 444.556 5.295 50 0 IKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000021798035 556815623 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0 439.515 6.251 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000021809146 556816147 /nfs/dbraw/zinc/81/61/47/556816147.db2.gz ULGXDVLRYMSQIH-YMJPAYASSA-N 0 0 449.620 5.121 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000021809365 556816249 /nfs/dbraw/zinc/81/62/49/556816249.db2.gz RUUJVLVZKWBQPL-YMJPAYASSA-N 0 0 449.620 5.121 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000021809360 556816275 /nfs/dbraw/zinc/81/62/75/556816275.db2.gz RUUJVLVZKWBQPL-ZTEVPRNISA-N 0 0 449.620 5.121 50 0 IKAARN O=c1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c2cc3c(cc2o1)CCC3 ZINC000003516293 556817085 /nfs/dbraw/zinc/81/70/85/556817085.db2.gz BVSRXNUQEGQYNM-UHFFFAOYSA-N 0 0 441.512 5.415 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062251 556818028 /nfs/dbraw/zinc/81/80/28/556818028.db2.gz OWRTYYRMILUGEB-LJQANCHMSA-N 0 0 437.902 5.923 50 0 IKAARN CCc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000033062338 556818083 /nfs/dbraw/zinc/81/80/83/556818083.db2.gz NZTMBMRYUDUNMB-JOCHJYFZSA-N 0 0 443.547 5.701 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc12)[C@@H]1C[C@H]1c1ccccc1 ZINC000004011737 556818319 /nfs/dbraw/zinc/81/83/19/556818319.db2.gz PNVFCFVHVYRXRA-XDZVQPMWSA-N 0 0 446.550 6.324 50 0 IKAARN CC(C)(C)P(=NC(=S)N1CCCCC1)(N1CCCCCC1)N1CCCCCC1 ZINC000005496378 556818435 /nfs/dbraw/zinc/81/84/35/556818435.db2.gz WUEQOVWSMGIWRD-UHFFFAOYSA-N 0 0 426.655 6.339 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)N[C@@H](C(=O)OC)C(C)C)c(C(C)(C)CC)c1 ZINC000005501567 556818631 /nfs/dbraw/zinc/81/86/31/556818631.db2.gz HVFIMKXUPUDHMD-HSZRJFAPSA-N 0 0 433.633 5.535 50 0 IKAARN CCn1c(COc2cc(C)ccc2C)nnc1SCc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000033067690 556819268 /nfs/dbraw/zinc/81/92/68/556819268.db2.gz XVHZVXBIUCTDSD-UHFFFAOYSA-N 0 0 448.592 5.244 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000033067933 556820264 /nfs/dbraw/zinc/82/02/64/556820264.db2.gz FIIWBSPXHAGHIV-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000033067934 556820291 /nfs/dbraw/zinc/82/02/91/556820291.db2.gz OCXLNQXKRGNEIA-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(OC)c(OC)c3)[nH]c1C(C)(C)S2 ZINC000136569031 556820435 /nfs/dbraw/zinc/82/04/35/556820435.db2.gz LPUGIFCQAAMHGX-UHFFFAOYSA-N 0 0 428.579 5.959 50 0 IKAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4cc(Cl)ccc4C)cc3)cc(=O)n2c1 ZINC000033068188 556820845 /nfs/dbraw/zinc/82/08/45/556820845.db2.gz DYBBKPALOXYVJE-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)c3ccc(F)cc3F)CC1)=Nc1ccccc1O2 ZINC000096503424 556821976 /nfs/dbraw/zinc/82/19/76/556821976.db2.gz LGKMCWAJCDOTLQ-UHFFFAOYSA-N 0 0 447.485 5.305 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCCN(C(=O)c3cccs3)CC1)=N2 ZINC000096503579 556822153 /nfs/dbraw/zinc/82/21/53/556822153.db2.gz PEPZBEXFPKOFCE-UHFFFAOYSA-N 0 0 431.561 5.397 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1cccc(C)c1)oc(=O)cc2-c1ccccc1 ZINC000005554519 556823305 /nfs/dbraw/zinc/82/33/05/556823305.db2.gz XIHMHGXLSXQEFT-UHFFFAOYSA-N 0 0 426.556 7.470 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1)N1CCCC1 ZINC000064471995 556824368 /nfs/dbraw/zinc/82/43/68/556824368.db2.gz GGGREFDAUXBOOE-UHFFFAOYSA-N 0 0 430.733 5.630 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1Cl ZINC000064591728 556825456 /nfs/dbraw/zinc/82/54/56/556825456.db2.gz KXKIPDYAFFKOFC-UHFFFAOYSA-N 0 0 436.899 5.275 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000064661956 556825682 /nfs/dbraw/zinc/82/56/82/556825682.db2.gz QUQSIWHQSFCBKZ-AREMUKBSSA-N 0 0 443.572 5.001 50 0 IKAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1c1ccc(Cl)cc1 ZINC000064661932 556825756 /nfs/dbraw/zinc/82/57/56/556825756.db2.gz AOUYCMJRRXPSDB-XMMPIXPASA-N 0 0 449.963 5.092 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000064661992 556825992 /nfs/dbraw/zinc/82/59/92/556825992.db2.gz LHNALHIHPRUDOW-AREMUKBSSA-N 0 0 443.572 5.055 50 0 IKAARN CCc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000064662266 556826199 /nfs/dbraw/zinc/82/61/99/556826199.db2.gz RGEACJFYDVWODK-RUZDIDTESA-N 0 0 435.593 5.133 50 0 IKAARN CCc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000064662294 556826400 /nfs/dbraw/zinc/82/64/00/556826400.db2.gz OHRSZMFRSBDPMI-AREMUKBSSA-N 0 0 449.620 5.129 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)N1CCCC[C@@H]1C ZINC000064790116 556826794 /nfs/dbraw/zinc/82/67/94/556826794.db2.gz WUHXWBNRNBMBFW-AWEZNQCLSA-N 0 0 428.989 5.210 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccc(C)cc1C ZINC000064790244 556827055 /nfs/dbraw/zinc/82/70/55/556827055.db2.gz OSIGSKHNCGNBQK-UHFFFAOYSA-N 0 0 434.540 5.550 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1cccc(C)c1C ZINC000064790205 556827080 /nfs/dbraw/zinc/82/70/80/556827080.db2.gz WRCPHWSHQZXVIK-UHFFFAOYSA-N 0 0 430.577 5.719 50 0 IKAARN CCc1cccc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)c1 ZINC000064816977 556827722 /nfs/dbraw/zinc/82/77/22/556827722.db2.gz SWRJMLPSSLKWRP-UHFFFAOYSA-N 0 0 446.576 5.657 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)c(C)c1 ZINC000064816957 556827752 /nfs/dbraw/zinc/82/77/52/556827752.db2.gz FNNUECUZEUZYMD-UHFFFAOYSA-N 0 0 446.576 5.712 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000033068714 556829086 /nfs/dbraw/zinc/82/90/86/556829086.db2.gz SMMQEOWTYJMTGH-UHFFFAOYSA-N 0 0 427.573 5.877 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1ccccc1)c1cccc(C)c1 ZINC000033068747 556829146 /nfs/dbraw/zinc/82/91/46/556829146.db2.gz CRBUJYXAWSXAFJ-UHFFFAOYSA-N 0 0 427.573 5.674 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1 ZINC000033068715 556829153 /nfs/dbraw/zinc/82/91/53/556829153.db2.gz JNAVUVHZVKQEEK-UHFFFAOYSA-N 0 0 441.600 6.131 50 0 IKAARN CCc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064949871 556829326 /nfs/dbraw/zinc/82/93/26/556829326.db2.gz BDHNMCNSMCWRFJ-UHFFFAOYSA-N 0 0 428.879 5.319 50 0 IKAARN CCOc1ccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1 ZINC000064949814 556829471 /nfs/dbraw/zinc/82/94/71/556829471.db2.gz LYODWCOYYFHMOQ-UHFFFAOYSA-N 0 0 444.878 5.155 50 0 IKAARN Cc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc43)n2)cc1C ZINC000064949875 556829671 /nfs/dbraw/zinc/82/96/71/556829671.db2.gz BOVJAUJCQVBDBV-UHFFFAOYSA-N 0 0 428.879 5.373 50 0 IKAARN CSc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064949880 556829739 /nfs/dbraw/zinc/82/97/39/556829739.db2.gz IIELWRGYRQNFBD-UHFFFAOYSA-N 0 0 446.919 5.478 50 0 IKAARN Cc1ccccc1-n1nc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c2ccccc2c1=O ZINC000064950219 556829762 /nfs/dbraw/zinc/82/97/62/556829762.db2.gz KGGVWQLVBODFIA-UHFFFAOYSA-N 0 0 448.404 5.430 50 0 IKAARN CCOc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064950028 556829767 /nfs/dbraw/zinc/82/97/67/556829767.db2.gz NPXGDBXHRCGYKD-UHFFFAOYSA-N 0 0 438.487 5.118 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000033068773 556829913 /nfs/dbraw/zinc/82/99/13/556829913.db2.gz DCUMUKYANZMVBS-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(Cl)c1 ZINC000019625144 556831864 /nfs/dbraw/zinc/83/18/64/556831864.db2.gz NWDMPGMPBPEEPV-UHFFFAOYSA-N 0 0 429.954 5.095 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)no2)c(OC)c1 ZINC000065005260 556831883 /nfs/dbraw/zinc/83/18/83/556831883.db2.gz FZYGZWOCHPGFBV-UHFFFAOYSA-N 0 0 431.448 5.172 50 0 IKAARN Cc1cccc(Oc2ccc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc2)c1 ZINC000065005187 556831930 /nfs/dbraw/zinc/83/19/30/556831930.db2.gz MNPOGXRHFSJWHB-UHFFFAOYSA-N 0 0 437.455 6.350 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)no1 ZINC000065005125 556831992 /nfs/dbraw/zinc/83/19/92/556831992.db2.gz YCYPUITXOATTOD-FQEVSTJZSA-N 0 0 437.883 5.902 50 0 IKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(NC(C)=O)cc4)n3)cc2)cc1 ZINC000065005356 556832167 /nfs/dbraw/zinc/83/21/67/556832167.db2.gz YUQITGDVKKQJEG-UHFFFAOYSA-N 0 0 428.448 5.113 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)cc1 ZINC000033068798 556832471 /nfs/dbraw/zinc/83/24/71/556832471.db2.gz NWTKLDYJVJATEE-UHFFFAOYSA-N 0 0 447.991 6.167 50 0 IKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1Cl ZINC000019631348 556832582 /nfs/dbraw/zinc/83/25/82/556832582.db2.gz GYKCDVMBFOGVGQ-UHFFFAOYSA-N 0 0 440.374 5.568 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)N1CCCc2ccccc21 ZINC000033068822 556832673 /nfs/dbraw/zinc/83/26/73/556832673.db2.gz RCVUJDIJLKVUFC-UHFFFAOYSA-N 0 0 443.547 5.431 50 0 IKAARN O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)NC(=S)N1c1ccc(F)cc1 ZINC000019631744 556832739 /nfs/dbraw/zinc/83/27/39/556832739.db2.gz IXPICUHCBPMODE-PXLXIMEGSA-N 0 0 440.503 5.352 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(CC)cc3)c(NCc3cccc(C)c3)n2c1C ZINC000065315822 556833084 /nfs/dbraw/zinc/83/30/84/556833084.db2.gz PRWQRGQOQSVGKA-UHFFFAOYSA-N 0 0 433.577 6.031 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(C(C)C)cc3)c(NCc3cccc(C)c3)n2c1C ZINC000065315836 556833090 /nfs/dbraw/zinc/83/30/90/556833090.db2.gz FXJWDDGSDNKVKY-UHFFFAOYSA-N 0 0 447.604 6.592 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(C)c3)c(NCc3ccc(Cl)cc3)n2c1C ZINC000065315818 556833131 /nfs/dbraw/zinc/83/31/31/556833131.db2.gz BLANISVIQKBWEX-UHFFFAOYSA-N 0 0 439.968 6.122 50 0 IKAARN O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000019633055 556833328 /nfs/dbraw/zinc/83/33/28/556833328.db2.gz ASPBJFXWKZHSFW-UHFFFAOYSA-N 0 0 440.974 6.650 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccccc3OC)c(NC3CCCCCC3)n2c1C ZINC000065318742 556833372 /nfs/dbraw/zinc/83/33/72/556833372.db2.gz WOBVUAFGCDQABE-UHFFFAOYSA-N 0 0 427.570 5.691 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(O)c(OC)c3)c(NC3CCCCCC3)n2c1C ZINC000065315905 556833378 /nfs/dbraw/zinc/83/33/78/556833378.db2.gz IUVDAVICURPECJ-UHFFFAOYSA-N 0 0 443.569 5.397 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(Br)cc3)c(NC3CCCC3)n2c1C ZINC000065318768 556833611 /nfs/dbraw/zinc/83/36/11/556833611.db2.gz RWMKYULOHQYTJH-UHFFFAOYSA-N 0 0 448.386 5.665 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC)c(O)c3)c(NC3CCCCC3)n2c1C ZINC000065318756 556833621 /nfs/dbraw/zinc/83/36/21/556833621.db2.gz ZUGDQDFMRPCKRG-UHFFFAOYSA-N 0 0 429.542 5.007 50 0 IKAARN CC1(C)[C@H](C(=O)O[C@H](C(N)=O)c2cccc(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl ZINC000096558712 556833713 /nfs/dbraw/zinc/83/37/13/556833713.db2.gz APXUYVIALTYBMS-NEWSRXKRSA-N 0 0 434.319 5.140 50 0 IKAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000019633469 556833786 /nfs/dbraw/zinc/83/37/86/556833786.db2.gz ZVXFSTRDCNVEAH-INIZCTEOSA-N 0 0 441.424 5.013 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)C(C)(C)C)CC2 ZINC000005614093 556833784 /nfs/dbraw/zinc/83/37/84/556833784.db2.gz MYYFFIMVLPYJDZ-JOCHJYFZSA-N 0 0 425.569 5.378 50 0 IKAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000019633465 556833825 /nfs/dbraw/zinc/83/38/25/556833825.db2.gz ZVXFSTRDCNVEAH-MRXNPFEDSA-N 0 0 441.424 5.013 50 0 IKAARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(Cl)c2)c1 ZINC000096558445 556833861 /nfs/dbraw/zinc/83/38/61/556833861.db2.gz IENYZPWRUACFRY-JOCHJYFZSA-N 0 0 441.756 6.467 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 ZINC000019635121 556834623 /nfs/dbraw/zinc/83/46/23/556834623.db2.gz JPUWGDVMOSDBNB-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccccc3n2)cc1 ZINC000019635098 556834686 /nfs/dbraw/zinc/83/46/86/556834686.db2.gz ALDSXJSCBHVFFD-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN Cc1cccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000019635172 556834692 /nfs/dbraw/zinc/83/46/92/556834692.db2.gz BYAVLTOOHODNDO-UHFFFAOYSA-N 0 0 441.987 7.600 50 0 IKAARN CC[C@H](NC(=O)c1cc(-c2cnn(CC)c2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000019636997 556835738 /nfs/dbraw/zinc/83/57/38/556835738.db2.gz UHFFBTZUZCIZQP-RAXRNYJGSA-N 0 0 442.607 5.843 50 0 IKAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)c(C)c1C ZINC000019637093 556835766 /nfs/dbraw/zinc/83/57/66/556835766.db2.gz KTPGDSMVKKDBJS-UHFFFAOYSA-N 0 0 442.669 5.033 50 0 IKAARN COC(=O)c1c(NC(=S)N2CCC(Cc3ccccc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000019637087 556835792 /nfs/dbraw/zinc/83/57/92/556835792.db2.gz UXAUBANSCOJNNG-MRXNPFEDSA-N 0 0 442.650 5.311 50 0 IKAARN CCOc1ccc([C@@H]2Cc3nc4oc(-c5ccccc5Cl)cc4c(N)c3C(=O)C2)cc1 ZINC000334160873 556837032 /nfs/dbraw/zinc/83/70/32/556837032.db2.gz NYQYAPFALMDZAX-OAHLLOKOSA-N 0 0 432.907 6.042 50 0 IKAARN CC1(C)C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@](C)(CNC(=O)Nc2cccc(F)c2)C1 ZINC000019640922 556837330 /nfs/dbraw/zinc/83/73/30/556837330.db2.gz PJNGBGAJTFIEDC-YKSBVNFPSA-N 0 0 444.526 5.493 50 0 IKAARN COc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)cc1 ZINC000096602248 556837880 /nfs/dbraw/zinc/83/78/80/556837880.db2.gz KBRXIFVFPIVNDX-OAQYLSRUSA-N 0 0 434.750 7.082 50 0 IKAARN O=C1C[C@H](c2cccc(Br)c2)N([S@@](=O)Oc2ccccc2)c2ccccc21 ZINC000096602633 556838337 /nfs/dbraw/zinc/83/83/37/556838337.db2.gz GGALGJGMNVKEFI-NFQMXDRXSA-N 0 0 442.334 5.241 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3cc(C)ccc3n2)s1 ZINC000019643835 556838835 /nfs/dbraw/zinc/83/88/35/556838835.db2.gz LCXWMJGADDXAPG-UHFFFAOYSA-N 0 0 445.563 5.682 50 0 IKAARN Cc1sc2nc(SCc3c(F)cccc3Cl)n(Cc3ccccn3)c(=O)c2c1C ZINC000019644128 556839030 /nfs/dbraw/zinc/83/90/30/556839030.db2.gz NVLSNGHDDIWJLF-UHFFFAOYSA-N 0 0 445.972 5.603 50 0 IKAARN O=C(CCCc1ccccc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2 ZINC000019645232 556839851 /nfs/dbraw/zinc/83/98/51/556839851.db2.gz QTBOBWDNXYUDLW-UHFFFAOYSA-N 0 0 446.616 5.908 50 0 IKAARN O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CCN(c2ccccc2F)CC1 ZINC000019645408 556839870 /nfs/dbraw/zinc/83/98/70/556839870.db2.gz LYICBJXDYNWZSD-UHFFFAOYSA-N 0 0 446.913 5.052 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)C[C@@H](C)CC2 ZINC000019645308 556839878 /nfs/dbraw/zinc/83/98/78/556839878.db2.gz CUWPNYRCQJNUEN-LBPRGKRZSA-N 0 0 446.619 5.390 50 0 IKAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccc(F)cc2)n1 ZINC000019645455 556840076 /nfs/dbraw/zinc/84/00/76/556840076.db2.gz ALOLVUMJGIRDRB-UHFFFAOYSA-N 0 0 446.960 5.602 50 0 IKAARN CCOc1cc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)ccc1OCc1ccccc1 ZINC000006882104 556840185 /nfs/dbraw/zinc/84/01/85/556840185.db2.gz ZNXVAAYDNGMHRN-BMRADRMJSA-N 0 0 429.560 6.748 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)s1 ZINC000019646764 556840736 /nfs/dbraw/zinc/84/07/36/556840736.db2.gz JKRAGOYMLZBPRL-UHFFFAOYSA-N 0 0 447.991 5.888 50 0 IKAARN COc1ccc(OCc2cc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)ccc2OC)cc1 ZINC000019647601 556840870 /nfs/dbraw/zinc/84/08/70/556840870.db2.gz LHOSDRWGJRSYMT-UHFFFAOYSA-N 0 0 448.544 5.127 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000019648020 556841081 /nfs/dbraw/zinc/84/10/81/556841081.db2.gz OASXKEUJZIFLHO-UHFFFAOYSA-N 0 0 448.610 6.922 50 0 IKAARN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000019648433 556841304 /nfs/dbraw/zinc/84/13/04/556841304.db2.gz ZYIGPZSWMSUWFO-UHFFFAOYSA-N 0 0 449.190 6.300 50 0 IKAARN COc1ccc(-c2csc(-n3nc(/C=C/c4ccccc4O)cc3C(F)(F)F)n2)cc1 ZINC000096742828 556841956 /nfs/dbraw/zinc/84/19/56/556841956.db2.gz ZWDYUAGJHTVDPH-RMKNXTFCSA-N 0 0 443.450 5.899 50 0 IKAARN CCOC(=O)C1=C(C)N2C(=NC3=C(CCC/C3=C/c3ccccc3)[C@H]2c2ccccc2)S1 ZINC000067172427 556842023 /nfs/dbraw/zinc/84/20/23/556842023.db2.gz UFSZFJVOVRAILX-VKCJIPKCSA-N 0 0 442.584 6.462 50 0 IKAARN COc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2C)cc1 ZINC000067341666 556842591 /nfs/dbraw/zinc/84/25/91/556842591.db2.gz HJLYJSILEPHZJZ-UHFFFAOYSA-N 0 0 427.327 5.137 50 0 IKAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 ZINC000008708599 556843026 /nfs/dbraw/zinc/84/30/26/556843026.db2.gz YCHYMRAZMZKAAQ-LBPRGKRZSA-N 0 0 433.327 5.261 50 0 IKAARN CCc1cccc(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)c1 ZINC000011214769 556843069 /nfs/dbraw/zinc/84/30/69/556843069.db2.gz FFZANPUHTLBKJV-IBGZPJMESA-N 0 0 449.624 5.107 50 0 IKAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cc(Cl)cc(Cl)c1 ZINC000008686336 556844859 /nfs/dbraw/zinc/84/48/59/556844859.db2.gz YHDSJERFQPOFFM-UHFFFAOYSA-N 0 0 426.303 5.561 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)cs2)cc1 ZINC000008750838 556845280 /nfs/dbraw/zinc/84/52/80/556845280.db2.gz ZFXRLZROCCJQDM-VWLOTQADSA-N 0 0 427.529 5.239 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc5ccccc54)C3=O)cs2)cc1 ZINC000008750833 556845336 /nfs/dbraw/zinc/84/53/36/556845336.db2.gz ZFXRLZROCCJQDM-RUZDIDTESA-N 0 0 427.529 5.239 50 0 IKAARN CC1(C)O[C@@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 ZINC000067665208 556845761 /nfs/dbraw/zinc/84/57/61/556845761.db2.gz LOMMSDDMLICVMB-MGUPHCMFSA-N 0 0 439.986 7.998 50 0 in-vitro IKAARN CC(=O)N(c1nc(COC(=O)/C=C\c2ccsc2)cs1)c1c(C)cc(C)cc1C ZINC000096793904 556845773 /nfs/dbraw/zinc/84/57/73/556845773.db2.gz MBFGBVPKHZZSPB-WAYWQWQTSA-N 0 0 426.563 5.571 50 0 IKAARN CC(C)c1csc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)n1 ZINC000067840876 556847200 /nfs/dbraw/zinc/84/72/00/556847200.db2.gz BLJLQLSDZWAZSD-UHFFFAOYSA-N 0 0 444.004 5.206 50 0 IKAARN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1sc2cc(F)ccc2c1Cl ZINC000014704036 556847323 /nfs/dbraw/zinc/84/73/23/556847323.db2.gz KJSMDMDBNYEUTP-UHFFFAOYSA-N 0 0 428.872 5.469 50 0 IKAARN COCCC(=O)N1CCOc2c(O)cc(-c3ccc4sc5ccccc5c4c3)cc2C1 ZINC000067982480 556848050 /nfs/dbraw/zinc/84/80/50/556848050.db2.gz JVNKZNFXVFSTDO-UHFFFAOYSA-N 0 0 433.529 5.185 50 0 IKAARN COc1ccc(CCc2nc(C)ccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000068682460 556849243 /nfs/dbraw/zinc/84/92/43/556849243.db2.gz QWRSREBUXQTLOF-UHFFFAOYSA-N 0 0 435.564 5.314 50 0 IKAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1c2ccccc2Sc2ccccc21 ZINC000008825097 556849229 /nfs/dbraw/zinc/84/92/29/556849229.db2.gz VPHGGDPKVZOJTJ-UHFFFAOYSA-N 0 0 436.842 5.350 50 0 IKAARN O=C1COc2ccc(-c3cc(-c4ccco4)cc(-c4ccc(Br)cc4)n3)cc2N1 ZINC000068713469 556849467 /nfs/dbraw/zinc/84/94/67/556849467.db2.gz VLYHWWCADAZMAZ-UHFFFAOYSA-N 0 0 447.288 5.769 50 0 IKAARN CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OCc3nnc(C)o3)cc21 ZINC000068755370 556849704 /nfs/dbraw/zinc/84/97/04/556849704.db2.gz WMQYYJSLMVPMOA-UHFFFAOYSA-N 0 0 440.297 5.174 50 0 IKAARN O=C(Cc1csc(SCc2ccc(Br)cc2)n1)N1CCc2ccccc21 ZINC000008854570 556850238 /nfs/dbraw/zinc/85/02/38/556850238.db2.gz YEDMQGUSVHCVLS-UHFFFAOYSA-N 0 0 445.407 5.330 50 0 IKAARN O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NCc1cccs1 ZINC000008854558 556850241 /nfs/dbraw/zinc/85/02/41/556850241.db2.gz MFHRVAPSBFHESM-UHFFFAOYSA-N 0 0 439.425 5.118 50 0 IKAARN C[C@H](Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C)c1nc2ccccc2c(=O)[nH]1 ZINC000008888026 556851046 /nfs/dbraw/zinc/85/10/46/556851046.db2.gz PGBAWKOSYNMYFQ-TWOQFEAHSA-N 0 0 446.580 5.181 50 0 IKAARN C[C@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2NC1=O ZINC000008879094 556851984 /nfs/dbraw/zinc/85/19/84/556851984.db2.gz FFIIBVIUCILWQV-MRVPVSSYSA-N 0 0 434.361 5.409 50 0 IKAARN Cc1c(C(=O)N[C@@H]2CCCc3ccccc32)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078877 556853944 /nfs/dbraw/zinc/85/39/44/556853944.db2.gz SRFCIPWKRMGEPN-HXUWFJFHSA-N 0 0 434.609 5.576 50 0 IKAARN Cc1cccc(CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2CC(C)C)c1 ZINC000033077001 556854197 /nfs/dbraw/zinc/85/41/97/556854197.db2.gz WLUIIOXTSMDHMQ-UHFFFAOYSA-N 0 0 437.609 5.039 50 0 IKAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(C)ccc4C)CC3)c(C)o2)cc1 ZINC000033085219 556855336 /nfs/dbraw/zinc/85/53/36/556855336.db2.gz CAKBEZKUPSCSLP-UHFFFAOYSA-N 0 0 448.567 5.015 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)cc1 ZINC000004652733 556855384 /nfs/dbraw/zinc/85/53/84/556855384.db2.gz SBIPFOQZARKNJI-SANMLTNESA-N 0 0 429.560 5.082 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)c(Cl)c4)nc3n2)cc1 ZINC000033088416 556856376 /nfs/dbraw/zinc/85/63/76/556856376.db2.gz BOXVYAGUWOJPNR-UHFFFAOYSA-N 0 0 449.795 5.163 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NCc2ccccc2)c2c(n[nH]c2-c2ccccc2)n1 ZINC000033085601 556856384 /nfs/dbraw/zinc/85/63/84/556856384.db2.gz QCYFFPPLQFIJAD-UHFFFAOYSA-N 0 0 434.499 5.231 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088422 556856464 /nfs/dbraw/zinc/85/64/64/556856464.db2.gz BMBRYSZWLDBRFA-GFCCVEGCSA-N 0 0 429.402 5.169 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCc3ccccc3)c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000033085600 556856468 /nfs/dbraw/zinc/85/64/68/556856468.db2.gz JQAFMOIYQUHURE-UHFFFAOYSA-N 0 0 448.526 5.621 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000033085709 556856612 /nfs/dbraw/zinc/85/66/12/556856612.db2.gz QWUZBMWHQIQHCS-UHFFFAOYSA-N 0 0 448.954 5.874 50 0 IKAARN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccccc3)c21)c1ccccc1 ZINC000033085765 556856719 /nfs/dbraw/zinc/85/67/19/556856719.db2.gz VRRWPWFAVLGALW-KRWDZBQOSA-N 0 0 436.490 5.922 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085702 556856776 /nfs/dbraw/zinc/85/67/76/556856776.db2.gz ZTMCAFWTQPTGAR-UHFFFAOYSA-N 0 0 446.526 5.750 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3)c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1 ZINC000033085683 556856802 /nfs/dbraw/zinc/85/68/02/556856802.db2.gz JTJOKNLYGOAZGH-UHFFFAOYSA-N 0 0 436.490 5.669 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2nc1N1CCCCC1 ZINC000033086031 556856985 /nfs/dbraw/zinc/85/69/85/556856985.db2.gz FYLVWFDARRMMFD-UHFFFAOYSA-N 0 0 438.531 5.451 50 0 IKAARN O=C(CCc1nc(CSc2nc(-c3ccccc3)cs2)no1)Nc1ccc(F)cc1 ZINC000033087412 556857279 /nfs/dbraw/zinc/85/72/79/556857279.db2.gz ZNCQXPPSYZDGQN-UHFFFAOYSA-N 0 0 440.525 5.196 50 0 IKAARN Cc1ccccc1NC(=O)CCc1nc(CSc2nc(-c3ccccc3)cs2)no1 ZINC000033087422 556857608 /nfs/dbraw/zinc/85/76/08/556857608.db2.gz HXMROYULGAFHDO-UHFFFAOYSA-N 0 0 436.562 5.365 50 0 IKAARN Cc1cc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c(C)c1 ZINC000033089241 556857878 /nfs/dbraw/zinc/85/78/78/556857878.db2.gz POROARZTJUIXMX-AWEZNQCLSA-N 0 0 425.326 5.059 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1 ZINC000033106273 556858457 /nfs/dbraw/zinc/85/84/57/556858457.db2.gz ICCBQJHBYNLZCY-UHFFFAOYSA-N 0 0 439.515 5.189 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1 ZINC000033106276 556858543 /nfs/dbraw/zinc/85/85/43/556858543.db2.gz SSOYCWPFHLQOQE-UHFFFAOYSA-N 0 0 427.548 5.871 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)c3cc(C)ccc3n2)cc1 ZINC000033106333 556858819 /nfs/dbraw/zinc/85/88/19/556858819.db2.gz JPJKMGBHILBLDV-UHFFFAOYSA-N 0 0 431.442 5.699 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccc(F)c3)c3cc(C)ccc3n2)cc1 ZINC000033106411 556858966 /nfs/dbraw/zinc/85/89/66/556858966.db2.gz WYUWWOLZKDWHJR-UHFFFAOYSA-N 0 0 427.479 5.238 50 0 IKAARN Cc1cccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c1C ZINC000033106560 556859052 /nfs/dbraw/zinc/85/90/52/556859052.db2.gz HHGCPYRPXZKHMJ-UHFFFAOYSA-N 0 0 439.563 5.056 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1 ZINC000033113227 556859851 /nfs/dbraw/zinc/85/98/51/556859851.db2.gz NODSRJXRTVCTKY-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1C ZINC000033113221 556859945 /nfs/dbraw/zinc/85/99/45/556859945.db2.gz FWBIEGDTSWLWNE-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN CCOC(=O)c1c2ccc(C)c(OCc3c(F)cccc3Cl)c2sc1NC(C)=O ZINC000033113611 556860348 /nfs/dbraw/zinc/86/03/48/556860348.db2.gz BLFKBRGYAVBXLZ-UHFFFAOYSA-N 0 0 435.904 5.716 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc(N2CCc3ccccc3C2)nc2ccccc21 ZINC000033114733 556861481 /nfs/dbraw/zinc/86/14/81/556861481.db2.gz OZWRBUAYEPXFNG-UHFFFAOYSA-N 0 0 440.572 5.232 50 0 IKAARN CC(C)CCn1c(=O)c2c(nc1SCc1ccc(F)cc1)c(-c1ccccc1)cn2C ZINC000033114610 556861545 /nfs/dbraw/zinc/86/15/45/556861545.db2.gz CYJSBJHVYFKAIQ-UHFFFAOYSA-N 0 0 435.568 5.880 50 0 IKAARN Cc1cc(N2CCC(C(=O)Nc3ccccc3C)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033115832 556861804 /nfs/dbraw/zinc/86/18/04/556861804.db2.gz OOQJYHIFROWHOQ-UHFFFAOYSA-N 0 0 443.526 5.007 50 0 IKAARN CCn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1cc(F)ccc1C ZINC000033116526 556862490 /nfs/dbraw/zinc/86/24/90/556862490.db2.gz NCNLDWBIQKGLFC-UHFFFAOYSA-N 0 0 437.540 5.090 50 0 IKAARN CCn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033116540 556862522 /nfs/dbraw/zinc/86/25/22/556862522.db2.gz SPBMKJWLHOYXOT-UHFFFAOYSA-N 0 0 439.968 5.296 50 0 IKAARN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033116563 556862552 /nfs/dbraw/zinc/86/25/52/556862552.db2.gz PRQRXTZYNQZIIY-UHFFFAOYSA-N 0 0 425.941 5.111 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)n2ncnc2n1 ZINC000033122201 556863171 /nfs/dbraw/zinc/86/31/71/556863171.db2.gz PPRJOEGUIZRNKB-UHFFFAOYSA-N 0 0 432.553 5.489 50 0 IKAARN CCCOc1c2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)ccc2sc1C(=O)OC ZINC000033123491 556863887 /nfs/dbraw/zinc/86/38/87/556863887.db2.gz CSLHKPJOEDZEMG-UHFFFAOYSA-N 0 0 441.534 5.181 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1Cl ZINC000033123940 556864265 /nfs/dbraw/zinc/86/42/65/556864265.db2.gz BJFQRDFVBYUNNY-UHFFFAOYSA-N 0 0 439.874 6.289 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc(OC)c1 ZINC000033124166 556864277 /nfs/dbraw/zinc/86/42/77/556864277.db2.gz JQESLGMVPASBLP-UHFFFAOYSA-N 0 0 439.924 6.278 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1Cl ZINC000033124094 556864301 /nfs/dbraw/zinc/86/43/01/556864301.db2.gz CMPQADMZYUAEAT-UHFFFAOYSA-N 0 0 439.924 6.278 50 0 IKAARN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)cc1 ZINC000033124001 556864302 /nfs/dbraw/zinc/86/43/02/556864302.db2.gz HCXCKZZBNWUVBS-UHFFFAOYSA-N 0 0 445.363 5.527 50 0 IKAARN CC(C)c1ccc(-n2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1 ZINC000033128416 556865546 /nfs/dbraw/zinc/86/55/46/556865546.db2.gz DCQUWYDKGYBDTG-UHFFFAOYSA-N 0 0 447.482 5.106 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cccc(Br)c1 ZINC000033128732 556865673 /nfs/dbraw/zinc/86/56/73/556865673.db2.gz RHZZPOLYQZGJOR-UHFFFAOYSA-N 0 0 436.309 5.296 50 0 IKAARN O=C(NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)Nc1cc(F)ccc1F ZINC000033125789 556866755 /nfs/dbraw/zinc/86/67/55/556866755.db2.gz VSNYSWCECCJIAI-UHFFFAOYSA-N 0 0 436.890 5.074 50 0 IKAARN Cc1ccc(Cn2c3ccccc3n(C[C@@H](O)c3ccc(Cl)c(Cl)c3)c2=N)cc1 ZINC000019707462 556867158 /nfs/dbraw/zinc/86/71/58/556867158.db2.gz LQYDYWMFFKKSFD-JOCHJYFZSA-N 0 0 426.347 5.319 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3F)cc3c2CCCC3=O)cc1 ZINC000033126781 556867325 /nfs/dbraw/zinc/86/73/25/556867325.db2.gz KVJWXUPFQDFTBL-UHFFFAOYSA-N 0 0 436.458 5.010 50 0 IKAARN CCOc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1 ZINC000033126795 556867424 /nfs/dbraw/zinc/86/74/24/556867424.db2.gz PBYALGMVCZWSJD-UHFFFAOYSA-N 0 0 444.531 5.131 50 0 IKAARN O=C(CNC(=S)N(Cc1ccccc1F)C1CCCCC1)NC1CCCCCCC1 ZINC000004672584 556867743 /nfs/dbraw/zinc/86/77/43/556867743.db2.gz RLFMKZQSSXIMQD-UHFFFAOYSA-N 0 0 433.637 5.064 50 0 IKAARN O=C(CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)NC1CCCCCCC1 ZINC000004672578 556867804 /nfs/dbraw/zinc/86/78/04/556867804.db2.gz HSJVNUKOUUWABB-UHFFFAOYSA-N 0 0 433.637 5.064 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3CCN(C)C2)cc1 ZINC000019708175 556868285 /nfs/dbraw/zinc/86/82/85/556868285.db2.gz AKUKKJZGLRSYHL-UHFFFAOYSA-N 0 0 433.602 5.036 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(C)cc3)cc21 ZINC000033129218 556868433 /nfs/dbraw/zinc/86/84/33/556868433.db2.gz XNFPNQWHURRSCZ-UHFFFAOYSA-N 0 0 441.487 5.406 50 0 IKAARN COc1cc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc(OC)c1 ZINC000033129512 556868657 /nfs/dbraw/zinc/86/86/57/556868657.db2.gz QXHBLADXKDFOIV-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129948 556869607 /nfs/dbraw/zinc/86/96/07/556869607.db2.gz DZZSHHJJFLZMGL-UHFFFAOYSA-N 0 0 440.952 5.044 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000033130357 556870311 /nfs/dbraw/zinc/87/03/11/556870311.db2.gz RVXAVFJRACYHIY-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)n2)cc1 ZINC000033130365 556870425 /nfs/dbraw/zinc/87/04/25/556870425.db2.gz INZZZENCPMCTGQ-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)cc1 ZINC000033130489 556870606 /nfs/dbraw/zinc/87/06/06/556870606.db2.gz VHXRDVDLBRLUNL-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)N[C@@H](C)c4ccc(C)cc4)c3)n2)c1 ZINC000033130589 556870838 /nfs/dbraw/zinc/87/08/38/556870838.db2.gz VQZRBPKNWACNRH-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(C(C)C)cc2)n1 ZINC000033130660 556870927 /nfs/dbraw/zinc/87/09/27/556870927.db2.gz RYMGTHNLAMELHD-UHFFFAOYSA-N 0 0 428.536 6.081 50 0 IKAARN CCOC(=O)CC1(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)CCCCC1 ZINC000033130774 556871065 /nfs/dbraw/zinc/87/10/65/556871065.db2.gz WCAABVDSGHEWSZ-UHFFFAOYSA-N 0 0 438.503 5.147 50 0 IKAARN CCOC(=O)C[C@@H](NC(=O)Nc1c2ccccc2[nH]c1-c1cccnc1)c1ccccc1 ZINC000033130710 556871111 /nfs/dbraw/zinc/87/11/11/556871111.db2.gz JEOLLBNMYIMTMU-OAQYLSRUSA-N 0 0 428.492 5.046 50 0 IKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)N(C)Cc3ccccc3)c2)nn1 ZINC000033131042 556871254 /nfs/dbraw/zinc/87/12/54/556871254.db2.gz LVNWLSCMOFOVBF-UHFFFAOYSA-N 0 0 425.488 5.217 50 0 IKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)nn1 ZINC000033131029 556871259 /nfs/dbraw/zinc/87/12/59/556871259.db2.gz DJSSAGYAPVGRDU-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN COc1cccc(Oc2ccc(-c3cccc(C(=O)NCCC4=CCCCC4)c3)nn2)c1 ZINC000033131052 556871281 /nfs/dbraw/zinc/87/12/81/556871281.db2.gz OSHVVAXDOVUXRO-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)c(OC)c1 ZINC000033131088 556871609 /nfs/dbraw/zinc/87/16/09/556871609.db2.gz HEAOAACJWSGJOP-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccnc(-c3ccc(C)cc3)n2)c1 ZINC000033139187 556872993 /nfs/dbraw/zinc/87/29/93/556872993.db2.gz SMSSRKJKUKWJSK-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139130 556873038 /nfs/dbraw/zinc/87/30/38/556873038.db2.gz WIWSVUZCDQOMNR-SFHVURJKSA-N 0 0 427.479 5.874 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1OC ZINC000033139179 556873065 /nfs/dbraw/zinc/87/30/65/556873065.db2.gz JPXWMOYCCZAEFJ-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN Cc1cccc(-c2nccc(Oc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)c1 ZINC000033139093 556873108 /nfs/dbraw/zinc/87/31/08/556873108.db2.gz FOBJNRHPXONFTQ-UHFFFAOYSA-N 0 0 429.907 5.828 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1Cl ZINC000033139127 556873118 /nfs/dbraw/zinc/87/31/18/556873118.db2.gz BCQKCITXHAUFBY-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1 ZINC000033139199 556873134 /nfs/dbraw/zinc/87/31/34/556873134.db2.gz DLIRIIXEVNFFDZ-UHFFFAOYSA-N 0 0 429.907 5.828 50 0 IKAARN O=C(NCc1ccco1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139874 556874964 /nfs/dbraw/zinc/87/49/64/556874964.db2.gz SBKNGQSSIRRHMZ-UHFFFAOYSA-N 0 0 437.908 5.597 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139973 556875094 /nfs/dbraw/zinc/87/50/94/556875094.db2.gz NLMLGLOHLPRMTD-UHFFFAOYSA-N 0 0 427.529 6.289 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139968 556875114 /nfs/dbraw/zinc/87/51/14/556875114.db2.gz LWYRQJYGWCMNDB-UHFFFAOYSA-N 0 0 433.920 6.326 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(Oc3nccnc3Sc3ccccc3)cc2)c1 ZINC000033139988 556875120 /nfs/dbraw/zinc/87/51/20/556875120.db2.gz GGZXRPHMAFNCBL-UHFFFAOYSA-N 0 0 427.529 5.659 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(SC)cc1)CC2 ZINC000019732537 556876641 /nfs/dbraw/zinc/87/66/41/556876641.db2.gz RXUVELMVMATKMZ-VWLOTQADSA-N 0 0 440.008 6.227 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc3ccccc3c1)CC2 ZINC000019732657 556876653 /nfs/dbraw/zinc/87/66/53/556876653.db2.gz AZBZPIPASSJNGS-MUUNZHRXSA-N 0 0 443.974 6.658 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000033141797 556878248 /nfs/dbraw/zinc/87/82/48/556878248.db2.gz DWCDKBGUHLEDMM-UHFFFAOYSA-N 0 0 428.579 5.257 50 0 IKAARN CCOP(=O)(OCC)[C@H](Nc1cccc(CC)c1)c1cc(Cl)cc(Cl)c1OC ZINC000033155115 556878744 /nfs/dbraw/zinc/87/87/44/556878744.db2.gz DXURMGRZJQMJQQ-FQEVSTJZSA-N 0 0 446.311 6.941 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc(C)c(C)c4)cc3)sc2c1 ZINC000033169228 556880567 /nfs/dbraw/zinc/88/05/67/556880567.db2.gz FICQPBLGTJYPAX-UHFFFAOYSA-N 0 0 438.574 5.531 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3cccc(F)c3C)CC2)cc1 ZINC000033168618 556880624 /nfs/dbraw/zinc/88/06/24/556880624.db2.gz YKKBNESSEMGLKA-UHFFFAOYSA-N 0 0 436.556 5.239 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4C)cc3)sc2c1 ZINC000033169217 556880666 /nfs/dbraw/zinc/88/06/66/556880666.db2.gz WJMUGBXIVSRMIZ-UHFFFAOYSA-N 0 0 444.965 5.735 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 ZINC000033168707 556880961 /nfs/dbraw/zinc/88/09/61/556880961.db2.gz RCQJNDRPARCKPC-PZJWPPBQSA-N 0 0 432.593 5.030 50 0 IKAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169048 556881220 /nfs/dbraw/zinc/88/12/20/556881220.db2.gz IDXNUOGCEJOLCJ-UHFFFAOYSA-N 0 0 432.929 5.865 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)cc1 ZINC000033168882 556881230 /nfs/dbraw/zinc/88/12/30/556881230.db2.gz FPZCMGSEEJGFNV-HXUWFJFHSA-N 0 0 432.593 5.354 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000033169039 556881262 /nfs/dbraw/zinc/88/12/62/556881262.db2.gz RPCGWDYBFCDMMR-UHFFFAOYSA-N 0 0 428.966 6.034 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)sc2c1 ZINC000033169189 556881405 /nfs/dbraw/zinc/88/14/05/556881405.db2.gz QVNJRBNOPBAFBM-UHFFFAOYSA-N 0 0 430.938 5.426 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3Cl)sc2c1 ZINC000033169063 556881460 /nfs/dbraw/zinc/88/14/60/556881460.db2.gz HUSNVGOUQPQPFR-UHFFFAOYSA-N 0 0 442.993 6.343 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)Cc1c(F)cccc1Cl ZINC000033169135 556881546 /nfs/dbraw/zinc/88/15/46/556881546.db2.gz FAJHFDVCORXPCJ-UHFFFAOYSA-N 0 0 446.956 6.006 50 0 IKAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169249 556881873 /nfs/dbraw/zinc/88/18/73/556881873.db2.gz GWJGGGVGFOQLBZ-UHFFFAOYSA-N 0 0 442.949 5.620 50 0 IKAARN COc1ccc(NC(=O)CSc2nccc3c2ccn3Cc2ccc(C)cc2)cc1OC ZINC000033171539 556882679 /nfs/dbraw/zinc/88/26/79/556882679.db2.gz VRGBZVMQYAHVQP-UHFFFAOYSA-N 0 0 447.560 5.141 50 0 IKAARN CSc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c1 ZINC000033173427 556883214 /nfs/dbraw/zinc/88/32/14/556883214.db2.gz KHCWCGZIIIBEHF-UHFFFAOYSA-N 0 0 428.457 5.192 50 0 IKAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173347 556883274 /nfs/dbraw/zinc/88/32/74/556883274.db2.gz NXHHDGPTGOPKFT-UHFFFAOYSA-N 0 0 430.835 5.431 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC[C@H](C)c1ccccc1 ZINC000033173650 556883709 /nfs/dbraw/zinc/88/37/09/556883709.db2.gz WIADKCHDYNORHR-AWEZNQCLSA-N 0 0 438.471 5.005 50 0 IKAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000033173846 556884028 /nfs/dbraw/zinc/88/40/28/556884028.db2.gz BZDFVZIEYRXOCM-UHFFFAOYSA-N 0 0 429.489 5.191 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc(OC)c1OC ZINC000033169347 556884472 /nfs/dbraw/zinc/88/44/72/556884472.db2.gz XYQWXSJTFOJASF-UHFFFAOYSA-N 0 0 445.475 5.678 50 0 IKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)n2)c1 ZINC000033169408 556884573 /nfs/dbraw/zinc/88/45/73/556884573.db2.gz QLLUUOLBPQCVPD-UHFFFAOYSA-N 0 0 427.460 5.998 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)C)C(=O)c2ccccc2O3)c(OC)c1 ZINC000033170922 556886589 /nfs/dbraw/zinc/88/65/89/556886589.db2.gz CPBRWCJJZWFZTJ-UHFFFAOYSA-N 0 0 432.476 5.117 50 0 IKAARN CSc1ccc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5)oc4C)c3C)n2)cc1 ZINC000033170786 556886663 /nfs/dbraw/zinc/88/66/63/556886663.db2.gz AMUKABOQAPYBDT-UHFFFAOYSA-N 0 0 444.520 5.037 50 0 IKAARN COc1ccccc1OCC[C@@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 ZINC000071769346 556887821 /nfs/dbraw/zinc/88/78/21/556887821.db2.gz WQOXSHBIHNYKFU-XMMPIXPASA-N 0 0 429.560 5.317 50 0 IKAARN CC(C)(C)c1ccc(C(Cl)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000071782701 556888013 /nfs/dbraw/zinc/88/80/13/556888013.db2.gz GEHKTUJXAZRMFB-UHFFFAOYSA-N 0 0 447.106 9.110 50 0 IKAARN Cc1cccc(-c2cc(-c3cccc(C)c3)c(-c3cccc(C)c3)cc2-c2cccc(C)c2)c1 ZINC000071782707 556888068 /nfs/dbraw/zinc/88/80/68/556888068.db2.gz QVHKMRAQWAEBHN-UHFFFAOYSA-N 0 0 438.614 9.588 50 0 IKAARN CCN(CC)c1ccc([C@@]2(c3c(C)n(C)c4ccccc43)OC(=O)c3ccccc32)c(C)c1 ZINC000071791047 556888379 /nfs/dbraw/zinc/88/83/79/556888379.db2.gz LCGJEUAHECYSFW-GDLZYMKVSA-N 0 0 438.571 6.104 50 0 IKAARN CCCC(=O)n1nc(NCc2ccc(C(C)C)cc2)nc1NCc1ccc(C(C)C)cc1 ZINC000004703248 556888574 /nfs/dbraw/zinc/88/85/74/556888574.db2.gz DIJVMOOMEKHXRZ-UHFFFAOYSA-N 0 0 433.600 6.189 50 0 IKAARN O=C(c1ccc(-c2noc(C3CCCC3)n2)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033254351 556890288 /nfs/dbraw/zinc/89/02/88/556890288.db2.gz IELGFKNMJSNSPJ-UHFFFAOYSA-N 0 0 436.943 5.010 50 0 IKAARN CC[C@H](C(=O)Nc1cc(C)ccc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251096 556891700 /nfs/dbraw/zinc/89/17/00/556891700.db2.gz LJVLMYZGJYDSSK-GOSISDBHSA-N 0 0 431.458 5.239 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251152 556891892 /nfs/dbraw/zinc/89/18/92/556891892.db2.gz ZMEWOBIUNCPPRU-SFHVURJKSA-N 0 0 431.458 5.239 50 0 IKAARN CC[C@H](C(=O)N(CC)c1ccccc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251111 556891918 /nfs/dbraw/zinc/89/19/18/556891918.db2.gz RJJBVUCIWZEJNW-GOSISDBHSA-N 0 0 431.458 5.036 50 0 IKAARN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251100 556891921 /nfs/dbraw/zinc/89/19/21/556891921.db2.gz VJKCGRRMDWVMPJ-SFHVURJKSA-N 0 0 445.485 5.547 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251177 556892050 /nfs/dbraw/zinc/89/20/50/556892050.db2.gz VDZSOWNJSSCQKZ-MRXNPFEDSA-N 0 0 437.849 5.275 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C)cc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251191 556892108 /nfs/dbraw/zinc/89/21/08/556892108.db2.gz BWESHYPAVJHSOZ-GOSISDBHSA-N 0 0 431.458 5.239 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000033252404 556892945 /nfs/dbraw/zinc/89/29/45/556892945.db2.gz YHOOLPDLZVKHRK-UHFFFAOYSA-N 0 0 433.851 5.081 50 0 IKAARN CCn1cc(-c2nc(-c3ccc(F)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255947 556895312 /nfs/dbraw/zinc/89/53/12/556895312.db2.gz LBKGZLIYOGFPMO-UHFFFAOYSA-N 0 0 436.462 5.007 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)cc1OC ZINC000033257032 556895530 /nfs/dbraw/zinc/89/55/30/556895530.db2.gz AMXPPWSQNLQEAV-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN Cc1cc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)ccc1Br ZINC000033257316 556895734 /nfs/dbraw/zinc/89/57/34/556895734.db2.gz WPGRPLWPWVIJKU-UHFFFAOYSA-N 0 0 427.302 5.719 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000033258628 556896333 /nfs/dbraw/zinc/89/63/33/556896333.db2.gz OONULODGJHZIHW-UHFFFAOYSA-N 0 0 447.926 5.794 50 0 IKAARN Cc1cc(-c2ccc(I)c(C)c2)ccc1I ZINC000072099249 556896949 /nfs/dbraw/zinc/89/69/49/556896949.db2.gz ISWXEMYZGWXIIZ-UHFFFAOYSA-N 0 0 434.058 5.180 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)ncn2)c1 ZINC000033260928 556897673 /nfs/dbraw/zinc/89/76/73/556897673.db2.gz GJJKHYMICWUFFD-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260970 556897747 /nfs/dbraw/zinc/89/77/47/556897747.db2.gz IYMUCRMTUDYEBD-UHFFFAOYSA-N 0 0 428.423 5.007 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4cccc(F)c4C)cc3)nn2)c(C)c1C ZINC000072116046 556897805 /nfs/dbraw/zinc/89/78/05/556897805.db2.gz LCYBNXXDYOQRHU-UHFFFAOYSA-N 0 0 445.502 5.423 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c1 ZINC000072116119 556897844 /nfs/dbraw/zinc/89/78/44/556897844.db2.gz QJRDWASNYZHGRX-UHFFFAOYSA-N 0 0 431.525 5.080 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261294 556898839 /nfs/dbraw/zinc/89/88/39/556898839.db2.gz YTFKYYORSZDCHD-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1OC ZINC000033261302 556899103 /nfs/dbraw/zinc/89/91/03/556899103.db2.gz WNHIWNCMTHZVJE-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1ccccc1S(=O)(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000033261430 556900406 /nfs/dbraw/zinc/90/04/06/556900406.db2.gz WPXFWZHNFDWLIF-DEOSSOPVSA-N 0 0 436.964 5.466 50 0 IKAARN Cc1ccccc1S(=O)(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000033261431 556900499 /nfs/dbraw/zinc/90/04/99/556900499.db2.gz WPXFWZHNFDWLIF-XMMPIXPASA-N 0 0 436.964 5.466 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc(OC)c1 ZINC000033261349 556900530 /nfs/dbraw/zinc/90/05/30/556900530.db2.gz PAENGMCMVMAMNR-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN CCc1ccc(-c2ccc(SCc3nc(-c4ccc(OC)cc4OC)no3)nn2)cc1 ZINC000033262471 556900643 /nfs/dbraw/zinc/90/06/43/556900643.db2.gz HZWLZLFVEYNMIJ-UHFFFAOYSA-N 0 0 434.521 5.066 50 0 IKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(Cc1ccccc1)C3 ZINC000019758843 556902674 /nfs/dbraw/zinc/90/26/74/556902674.db2.gz XGZDCBGAMNLKSW-UHFFFAOYSA-N 0 0 433.602 5.118 50 0 IKAARN CC(C)(C)c1cc([C@H](c2cccc3ccccc32)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000019773221 556913497 /nfs/dbraw/zinc/91/34/97/556913497.db2.gz UHDCPMAUPDJITQ-AREMUKBSSA-N 0 0 431.620 6.562 50 0 IKAARN COc1cccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)c1OC ZINC000019773196 556913519 /nfs/dbraw/zinc/91/35/19/556913519.db2.gz LYGZCJMJAKLHKI-QHCPKHFHSA-N 0 0 441.612 5.426 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000019790157 556914982 /nfs/dbraw/zinc/91/49/82/556914982.db2.gz WAGKYPMXHWAPTP-UHFFFAOYSA-N 0 0 435.365 5.074 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1Cl)N1NC=NC1=N2 ZINC000019799277 556917024 /nfs/dbraw/zinc/91/70/24/556917024.db2.gz ZQUHRYQPJMGUNJ-DHIUTWEWSA-N 0 0 447.325 5.798 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000019799439 556917039 /nfs/dbraw/zinc/91/70/39/556917039.db2.gz TXTDZCLGSCYGQU-FXAWDEMLSA-N 0 0 445.769 6.406 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 ZINC000019810464 556918924 /nfs/dbraw/zinc/91/89/24/556918924.db2.gz SWXLDFCIPRVUCC-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2F)cc1 ZINC000019823121 556924676 /nfs/dbraw/zinc/92/46/76/556924676.db2.gz AFXOHJPEPRDDFZ-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000019823196 556924928 /nfs/dbraw/zinc/92/49/28/556924928.db2.gz IFYKTGBAXPCZHH-UHFFFAOYSA-N 0 0 443.576 5.358 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2F)cc1 ZINC000019823133 556924971 /nfs/dbraw/zinc/92/49/71/556924971.db2.gz CXZPRDVZTSEOQW-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2-c2cccnc2)cc1 ZINC000019823604 556925139 /nfs/dbraw/zinc/92/51/39/556925139.db2.gz QJARQBMWZLMSCH-UHFFFAOYSA-N 0 0 443.576 5.492 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 ZINC000019823669 556925177 /nfs/dbraw/zinc/92/51/77/556925177.db2.gz MFJGYSKXUMHAFZ-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1 ZINC000019823766 556925217 /nfs/dbraw/zinc/92/52/17/556925217.db2.gz VMSNULCBIQERLZ-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN COc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2cccnc2)cc1 ZINC000019823897 556925245 /nfs/dbraw/zinc/92/52/45/556925245.db2.gz LPCRUWMVAOLHTQ-UHFFFAOYSA-N 0 0 442.466 5.649 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000019824166 556925383 /nfs/dbraw/zinc/92/53/83/556925383.db2.gz WKRLLEMOZPQHQZ-UHFFFAOYSA-N 0 0 445.331 5.565 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2cccs2)cc1 ZINC000019824771 556925638 /nfs/dbraw/zinc/92/56/38/556925638.db2.gz LMBZFUKGGQHUBA-UHFFFAOYSA-N 0 0 448.617 6.158 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccco2)cc1 ZINC000019824621 556925679 /nfs/dbraw/zinc/92/56/79/556925679.db2.gz CTHIYMQGBALTLC-UHFFFAOYSA-N 0 0 448.548 5.274 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2cccs2)cc1 ZINC000019824755 556925712 /nfs/dbraw/zinc/92/57/12/556925712.db2.gz WRAVGVXSTJLXTN-UHFFFAOYSA-N 0 0 442.407 6.359 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)cc12 ZINC000019825413 556925850 /nfs/dbraw/zinc/92/58/50/556925850.db2.gz PRPSOPHYOFSDIO-GOSISDBHSA-N 0 0 430.577 5.055 50 0 IKAARN CCN(CC)c1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)cc1 ZINC000019827416 556925930 /nfs/dbraw/zinc/92/59/30/556925930.db2.gz CFYIYBKMHBEYNT-UHFFFAOYSA-N 0 0 449.971 5.410 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000019827912 556926260 /nfs/dbraw/zinc/92/62/60/556926260.db2.gz CJWLTJVGYWCHJK-UHFFFAOYSA-N 0 0 435.571 5.422 50 0 IKAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2cccc(Cl)c2)cc1 ZINC000019833509 556927391 /nfs/dbraw/zinc/92/73/91/556927391.db2.gz XWIXABUVZBXZOB-UHFFFAOYSA-N 0 0 449.963 5.495 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2cnc(-c3cccs3)cc12 ZINC000019833969 556927709 /nfs/dbraw/zinc/92/77/09/556927709.db2.gz JBBKMHAXWHGKKE-UHFFFAOYSA-N 0 0 444.434 5.489 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019835162 556928065 /nfs/dbraw/zinc/92/80/65/556928065.db2.gz GCECNMVHHYKTRO-UHFFFAOYSA-N 0 0 435.527 5.178 50 0 IKAARN CCN(CC)c1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842753 556929793 /nfs/dbraw/zinc/92/97/93/556929793.db2.gz WKJAXUPQDFYJGS-UHFFFAOYSA-N 0 0 443.660 5.616 50 0 IKAARN Cc1cccc(C(=O)NC(N2CCCC[C@@H]2c2cccnc2)(C(F)(F)F)C(F)(F)F)c1 ZINC000019847975 556930188 /nfs/dbraw/zinc/93/01/88/556930188.db2.gz XIHQRLMVQXWODZ-QGZVFWFLSA-N 0 0 445.407 5.168 50 0 biogenic IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc3n2)o1 ZINC000019850979 556930562 /nfs/dbraw/zinc/93/05/62/556930562.db2.gz SGRGFXFPAURHDC-JXMROGBWSA-N 0 0 437.543 5.274 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4ccc5c(c4)CCCC5)C[C@H]3c3ccccc3)n2)cc1 ZINC000019851170 556930659 /nfs/dbraw/zinc/93/06/59/556930659.db2.gz TYAVABCAWKJJEF-NDEPHWFRSA-N 0 0 449.623 7.353 50 0 IKAARN COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878859 556936067 /nfs/dbraw/zinc/93/60/67/556936067.db2.gz PMKFDJRFFOJJQT-XUZZJYLKSA-N 0 0 436.870 5.240 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(Cl)cc2)cc1OC ZINC000019879711 556936499 /nfs/dbraw/zinc/93/64/99/556936499.db2.gz WMPBXJROCGQPSD-NBGIEHNGSA-N 0 0 448.906 5.110 50 0 IKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000019879295 556936526 /nfs/dbraw/zinc/93/65/26/556936526.db2.gz LCPAFNONMKQDRC-LAUBAEHRSA-N 0 0 431.330 5.136 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1Br)O2 ZINC000019881006 556936967 /nfs/dbraw/zinc/93/69/67/556936967.db2.gz UDAWBTGUIFEASQ-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN COc1cccc(CN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 ZINC000019882388 556937277 /nfs/dbraw/zinc/93/72/77/556937277.db2.gz OZTXTSDCHPTTMG-UHFFFAOYSA-N 0 0 433.891 5.474 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000019881501 556937330 /nfs/dbraw/zinc/93/73/30/556937330.db2.gz MKJBRTFLQVQNBR-IBGZPJMESA-N 0 0 448.994 6.841 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000019881499 556937390 /nfs/dbraw/zinc/93/73/90/556937390.db2.gz MKJBRTFLQVQNBR-LJQANCHMSA-N 0 0 448.994 6.841 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000019893297 556939743 /nfs/dbraw/zinc/93/97/43/556939743.db2.gz GZYJBBTUDLJBBG-ZJSXRUAMSA-N 0 0 437.326 6.054 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000019892167 556939830 /nfs/dbraw/zinc/93/98/30/556939830.db2.gz IOTSMFPFDZENLI-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000019893695 556939980 /nfs/dbraw/zinc/93/99/80/556939980.db2.gz BIBZJKGBOKQILM-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000019893735 556940018 /nfs/dbraw/zinc/94/00/18/556940018.db2.gz JVBXJTQXWYXJBP-WMZHIEFXSA-N 0 0 449.304 5.420 50 0 IKAARN Clc1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000019893497 556940039 /nfs/dbraw/zinc/94/00/39/556940039.db2.gz XFNLXYCLRZTDIB-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1ccc(Cl)cc1)n2C ZINC000019894339 556940369 /nfs/dbraw/zinc/94/03/69/556940369.db2.gz RMRFVAPKLPCCLB-UHFFFAOYSA-N 0 0 437.370 6.645 50 0 IKAARN Cc1ccc(-c2nn(CC(=O)c3ccc(Br)cc3)c(=O)c3ccccc32)cc1 ZINC000019898037 556940901 /nfs/dbraw/zinc/94/09/01/556940901.db2.gz BVGFKOMDCUNGQK-UHFFFAOYSA-N 0 0 433.305 5.017 50 0 IKAARN N=c1n(CCCOc2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1 ZINC000019900342 556942099 /nfs/dbraw/zinc/94/20/99/556942099.db2.gz PSYVTLTTXOCILS-UHFFFAOYSA-N 0 0 436.353 5.202 50 0 IKAARN CN(C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@H](C(C)(C)C)C2 ZINC000019908561 556942682 /nfs/dbraw/zinc/94/26/82/556942682.db2.gz NMPDSIZNJLGZDF-AWEZNQCLSA-N 0 0 448.032 5.305 50 0 IKAARN CN(C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@@H](C(C)(C)C)C2 ZINC000019908564 556942697 /nfs/dbraw/zinc/94/26/97/556942697.db2.gz NMPDSIZNJLGZDF-CQSZACIVSA-N 0 0 448.032 5.305 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019908589 556942710 /nfs/dbraw/zinc/94/27/10/556942710.db2.gz ZLAHWROHXQEFNB-LITSAYRRSA-N 0 0 430.507 6.106 50 0 IKAARN O=c1ccccc2c(/C=C/c3cccc(C(F)(F)F)c3)nn(-c3cccc(Cl)c3)c21 ZINC000019909735 556943060 /nfs/dbraw/zinc/94/30/60/556943060.db2.gz MRJFDGJZPGCZKQ-VAWYXSNFSA-N 0 0 426.825 6.228 50 0 IKAARN O=c1ccccc2c(/C=C/c3ccc(C(F)(F)F)cc3)nn(-c3cccc(Cl)c3)c21 ZINC000019909738 556943073 /nfs/dbraw/zinc/94/30/73/556943073.db2.gz FQKBECKXQLDBFZ-JLHYYAGUSA-N 0 0 426.825 6.228 50 0 IKAARN FC(F)(F)c1cccc(-c2nnc3sc(-c4ccc(-c5ccc(Cl)cc5)o4)nn32)c1 ZINC000019910180 556943161 /nfs/dbraw/zinc/94/31/61/556943161.db2.gz OREMPWJGNVOXIR-UHFFFAOYSA-N 0 0 446.841 6.452 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000019912485 556943375 /nfs/dbraw/zinc/94/33/75/556943375.db2.gz NQPPCBDIQANLQL-HYBUGGRVSA-N 0 0 438.886 5.739 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000032940019 556943942 /nfs/dbraw/zinc/94/39/42/556943942.db2.gz ABFDUMVAIUXABN-UHFFFAOYSA-N 0 0 439.581 5.800 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019924584 556944579 /nfs/dbraw/zinc/94/45/79/556944579.db2.gz QXXFLKRMBGUMJP-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000019924563 556944627 /nfs/dbraw/zinc/94/46/27/556944627.db2.gz MHFZLGDXRSGUDL-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000019926642 556944907 /nfs/dbraw/zinc/94/49/07/556944907.db2.gz GIDZAFFYDVGKOJ-OAQYLSRUSA-N 0 0 431.517 5.212 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000019926639 556945011 /nfs/dbraw/zinc/94/50/11/556945011.db2.gz GIDZAFFYDVGKOJ-NRFANRHFSA-N 0 0 431.517 5.212 50 0 IKAARN N=c1n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000020010381 556960231 /nfs/dbraw/zinc/96/02/31/556960231.db2.gz UZCGMOAUXCGISB-UHFFFAOYSA-N 0 0 444.749 5.814 50 0 IKAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1c2ccccc2Oc2nc3ccccc3nc21 ZINC000020030724 556968902 /nfs/dbraw/zinc/96/89/02/556968902.db2.gz OOPOQWXHIHYHSO-UHFFFAOYSA-N 0 0 444.299 5.569 50 0 IKAARN CCc1ccccc1NC(=O)Nc1ccc(Nc2ccc(-n3nc(C)c(C)c3C)nn2)cc1 ZINC000072437609 556973134 /nfs/dbraw/zinc/97/31/34/556973134.db2.gz UUVKUZLUJSMJGJ-UHFFFAOYSA-N 0 0 441.539 5.538 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4cccc5ccccc54)cc3)nn2)c(C)c1C ZINC000072442535 556973345 /nfs/dbraw/zinc/97/33/45/556973345.db2.gz UMLTYYQKFDNUKT-UHFFFAOYSA-N 0 0 448.530 5.737 50 0 IKAARN Cc1nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc(N2CCCC2)n1 ZINC000072442321 556973417 /nfs/dbraw/zinc/97/34/17/556973417.db2.gz IZKHBMDHGLSHER-UHFFFAOYSA-N 0 0 425.895 5.174 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3[nH]2)cc1 ZINC000033264749 556974491 /nfs/dbraw/zinc/97/44/91/556974491.db2.gz MZSPFLHZGMITIE-SFHVURJKSA-N 0 0 440.547 5.188 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3[nH]2)cc1 ZINC000033264750 556974577 /nfs/dbraw/zinc/97/45/77/556974577.db2.gz MZSPFLHZGMITIE-GOSISDBHSA-N 0 0 440.547 5.188 50 0 IKAARN CC(=O)Nc1cccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)c1C ZINC000033264683 556974607 /nfs/dbraw/zinc/97/46/07/556974607.db2.gz ITZBSTVGMOLVTI-UHFFFAOYSA-N 0 0 429.505 5.379 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1 ZINC000033265113 556975057 /nfs/dbraw/zinc/97/50/57/556975057.db2.gz UVBNPKRCQNPZHL-UHFFFAOYSA-N 0 0 442.544 5.164 50 0 IKAARN O=C(c1ccc(COc2ccc3ccccc3c2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000020058360 556975390 /nfs/dbraw/zinc/97/53/90/556975390.db2.gz OLLYPMWIOCYCAJ-UHFFFAOYSA-N 0 0 435.567 6.514 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020058924 556975590 /nfs/dbraw/zinc/97/55/90/556975590.db2.gz NRPXUQNFIIKJER-BXKMTCNYSA-N 0 0 443.478 5.654 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C(C)C)CCCC3 ZINC000033265495 556976109 /nfs/dbraw/zinc/97/61/09/556976109.db2.gz DVYKVXOVMDMOGD-DEOSSOPVSA-N 0 0 449.620 6.561 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)cc1 ZINC000033265498 556976115 /nfs/dbraw/zinc/97/61/15/556976115.db2.gz SGZLSGFDLJSASU-XMMPIXPASA-N 0 0 449.620 6.561 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C(=O)OC)cc1)CCCC3 ZINC000033265536 556976153 /nfs/dbraw/zinc/97/61/53/556976153.db2.gz UJBXTQBDTAYNSF-HXUWFJFHSA-N 0 0 449.576 5.703 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCCC3 ZINC000033265513 556976179 /nfs/dbraw/zinc/97/61/79/556976179.db2.gz YUFYPECXMYWASW-IBGZPJMESA-N 0 0 425.985 6.570 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C(C)C)CCCC3 ZINC000033265496 556976194 /nfs/dbraw/zinc/97/61/94/556976194.db2.gz DVYKVXOVMDMOGD-XMMPIXPASA-N 0 0 449.620 6.561 50 0 IKAARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c(OC)c1 ZINC000033265581 556976343 /nfs/dbraw/zinc/97/63/43/556976343.db2.gz BLLUXFQGVIHKTK-HNNXBMFYSA-N 0 0 437.565 5.544 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000004728961 556976374 /nfs/dbraw/zinc/97/63/74/556976374.db2.gz GYHADYZNGBHRSR-HYFFOGBASA-N 0 0 428.548 5.110 50 0 IKAARN O=C1/C(=C\c2ccccc2F)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000072422424 556977493 /nfs/dbraw/zinc/97/74/93/556977493.db2.gz QSVUBIDKDCGRNB-PLRJNAJWSA-N 0 0 426.535 5.625 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nccn4nc(-c5cc(C)ccc5C)cc34)CC2)cc1 ZINC000033266589 556977501 /nfs/dbraw/zinc/97/75/01/556977501.db2.gz BOKYRNDVLZBANA-UHFFFAOYSA-N 0 0 439.563 5.177 50 0 IKAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NC(C)C)[C@@H](c1ccccc1)c1cccn1-2 ZINC000033266938 556978968 /nfs/dbraw/zinc/97/89/68/556978968.db2.gz OAWAAIUXJOCADC-VWLOTQADSA-N 0 0 439.563 5.248 50 0 IKAARN COc1ccc(C(=O)[C@@H](OC(=O)CCC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000020095142 556979232 /nfs/dbraw/zinc/97/92/32/556979232.db2.gz BOBUFMALGXBEHO-MHZLTWQESA-N 0 0 445.515 5.198 50 0 IKAARN CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 ZINC000020101565 556980253 /nfs/dbraw/zinc/98/02/53/556980253.db2.gz BESNBPVCNKDZIB-KRWDZBQOSA-N 0 0 447.535 5.030 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2ccc(C)c(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033267757 556982163 /nfs/dbraw/zinc/98/21/63/556982163.db2.gz AUKXKIPBIYOXJA-JOCHJYFZSA-N 0 0 443.547 5.756 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c3ccccc3n2)cc1OC ZINC000023042624 556985807 /nfs/dbraw/zinc/98/58/07/556985807.db2.gz SSBDUNDZECAIOL-QGZVFWFLSA-N 0 0 441.483 5.347 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000020137660 556988676 /nfs/dbraw/zinc/98/86/76/556988676.db2.gz ORNTZUTXYDEADE-UHFFFAOYSA-N 0 0 441.318 5.762 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCOCC4)cc3)cc(-c3ccccc3)c2c1 ZINC000023074583 556995364 /nfs/dbraw/zinc/99/53/64/556995364.db2.gz ALVWFVGCJVTZEZ-UHFFFAOYSA-N 0 0 437.543 5.148 50 0 IKAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020191280 556996182 /nfs/dbraw/zinc/99/61/82/556996182.db2.gz LFWFMJCXSRXPQR-UHFFFAOYSA-N 0 0 431.849 6.078 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000020192588 556996585 /nfs/dbraw/zinc/99/65/85/556996585.db2.gz NCCPNGZHQJVUIY-UHFFFAOYSA-N 0 0 430.533 6.235 50 0 IKAARN O=C(Cc1ccccc1Br)NC1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000077197546 556996795 /nfs/dbraw/zinc/99/67/95/556996795.db2.gz DAYASZHJSMMPCO-UHFFFAOYSA-N 0 0 446.370 5.079 50 0 IKAARN CCc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020213685 556999281 /nfs/dbraw/zinc/99/92/81/556999281.db2.gz UGZQWTZRXPDNHH-NRFANRHFSA-N 0 0 432.911 5.864 50 0 IKAARN CCn1cc([C@H]2Nc3c(sc4nc(C(F)(F)F)cc(-c5cccs5)c43)C(=O)N2)cn1 ZINC000020215369 556999355 /nfs/dbraw/zinc/99/93/55/556999355.db2.gz JGLOSXJPMTWLRE-INIZCTEOSA-N 0 0 449.483 5.114 50 0 IKAARN COc1ccc2ccccc2c1[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000020274027 557005018 /nfs/dbraw/zinc/00/50/18/557005018.db2.gz JADNWACXLZFKOL-HHHXNRCGSA-N 0 0 431.495 6.168 50 0 IKAARN COc1ccc2ccccc2c1[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000020274029 557005051 /nfs/dbraw/zinc/00/50/51/557005051.db2.gz JADNWACXLZFKOL-MHZLTWQESA-N 0 0 431.495 6.168 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 ZINC000020274546 557005056 /nfs/dbraw/zinc/00/50/56/557005056.db2.gz QHEUKDHYKYXSPG-UHFFFAOYSA-N 0 0 447.516 5.298 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(Cl)c1)CCN(Cc1ccccc1)C3 ZINC000020289837 557005645 /nfs/dbraw/zinc/00/56/45/557005645.db2.gz PKDJEGNHLXCHNX-UHFFFAOYSA-N 0 0 448.979 5.343 50 0 aggregator IKAARN COc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 ZINC000023118973 557006808 /nfs/dbraw/zinc/00/68/08/557006808.db2.gz LMURCSITMXXYHA-UHFFFAOYSA-N 0 0 425.510 5.263 50 0 IKAARN COc1ccccc1-c1nc(CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c(C)o1 ZINC000023126199 557007904 /nfs/dbraw/zinc/00/79/04/557007904.db2.gz CZFZLMBBAFRNHB-UHFFFAOYSA-N 0 0 433.533 5.346 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12 ZINC000020343617 557008412 /nfs/dbraw/zinc/00/84/12/557008412.db2.gz CHBQVSBFQRFEGM-UHFFFAOYSA-N 0 0 433.231 5.572 50 0 IKAARN CC(C)COc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020347256 557009061 /nfs/dbraw/zinc/00/90/61/557009061.db2.gz UZPLZYCBDDVFEJ-UHFFFAOYSA-N 0 0 428.576 5.269 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccccc3C)c3ccccc3S2)cc1 ZINC000020355827 557009748 /nfs/dbraw/zinc/00/97/48/557009748.db2.gz SOASLCGEDWLVEV-QHCPKHFHSA-N 0 0 432.545 5.212 50 0 IKAARN C[C@H]1CCCCN1c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020357905 557011360 /nfs/dbraw/zinc/01/13/60/557011360.db2.gz MARBSGDQHNVKPY-HNNXBMFYSA-N 0 0 437.613 5.070 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C ZINC000023127020 557011685 /nfs/dbraw/zinc/01/16/85/557011685.db2.gz MVTLHCVEJIIPBD-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(Cl)cc3)n2)c1 ZINC000023126897 557011694 /nfs/dbraw/zinc/01/16/94/557011694.db2.gz UHDJIGADSYQRRY-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN Cc1ccc(CNC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020367305 557011903 /nfs/dbraw/zinc/01/19/03/557011903.db2.gz VRFJOLCHYSXKPZ-OAQYLSRUSA-N 0 0 432.911 5.287 50 0 IKAARN Cc1ccc(-c2csc(N(C)CCCN3c4ccccc4CCc4ccccc43)n2)cc1 ZINC000020394031 557013127 /nfs/dbraw/zinc/01/31/27/557013127.db2.gz VYORCEKXEPIAJX-UHFFFAOYSA-N 0 0 439.628 6.882 50 0 IKAARN O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000032943022 557013738 /nfs/dbraw/zinc/01/37/38/557013738.db2.gz URHJASVCDQGNFR-UHFFFAOYSA-N 0 0 427.835 5.281 50 0 IKAARN Cc1c(C)c(=O)oc2c1cc(Cl)c1c2CN(CC(c2ccccc2)c2ccccc2)CO1 ZINC000020412567 557014096 /nfs/dbraw/zinc/01/40/96/557014096.db2.gz OQARARVJYKUWDL-UHFFFAOYSA-N 0 0 445.946 6.047 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3cccc(Br)c3)cc(C)c12 ZINC000045995140 557015162 /nfs/dbraw/zinc/01/51/62/557015162.db2.gz XDGRZETZYJPIKQ-UHFFFAOYSA-N 0 0 426.289 5.518 50 0 IKAARN COc1ccccc1-c1nc(COc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c(C)o1 ZINC000045995182 557015227 /nfs/dbraw/zinc/01/52/27/557015227.db2.gz SMLFMXWOUVVYRV-UHFFFAOYSA-N 0 0 440.503 5.495 50 0 IKAARN COc1ccc(-c2nc(COc3cc(-c4ccccc4)c4c(C)nn(C)c4n3)c(C)o2)cc1 ZINC000045995143 557015237 /nfs/dbraw/zinc/01/52/37/557015237.db2.gz DUZVAVJXPARIEZ-UHFFFAOYSA-N 0 0 440.503 5.495 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3cccc(Oc4ccccc4)c3)cc(C)c12 ZINC000045995510 557015489 /nfs/dbraw/zinc/01/54/89/557015489.db2.gz BGUREFAZGAKTAD-UHFFFAOYSA-N 0 0 435.527 6.717 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3ccccc3F)cc(C(F)(F)F)c12 ZINC000045995551 557015498 /nfs/dbraw/zinc/01/54/98/557015498.db2.gz MXGCNGKBRCTIGJ-UHFFFAOYSA-N 0 0 449.835 6.428 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3nc(-c4ccccc4C)oc3C)cc(C)c12 ZINC000045995453 557015504 /nfs/dbraw/zinc/01/55/04/557015504.db2.gz AANHLKLFIYAOGJ-UHFFFAOYSA-N 0 0 438.531 6.197 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)c3c(C)n(C)c4ccccc43)cc(C)c12 ZINC000045995506 557015512 /nfs/dbraw/zinc/01/55/12/557015512.db2.gz ZIIGFNLQXJONBA-UHFFFAOYSA-N 0 0 438.531 5.408 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3nc(-c4cccc(C)c4)oc3C)cc(C)c12 ZINC000045995455 557015522 /nfs/dbraw/zinc/01/55/22/557015522.db2.gz IFGZDIRIPSFCDI-UHFFFAOYSA-N 0 0 438.531 6.197 50 0 IKAARN Cc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)N4CCCCC4)cc(C)c23)c1 ZINC000045986572 557015781 /nfs/dbraw/zinc/01/57/81/557015781.db2.gz MFPCFACENREFHJ-UHFFFAOYSA-N 0 0 440.547 5.096 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)Nc3ccccc3F)cc(C)c12 ZINC000045990517 557016116 /nfs/dbraw/zinc/01/61/16/557016116.db2.gz CFLQJQJBYKHJOX-UHFFFAOYSA-N 0 0 438.890 5.156 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2cccc(C)c2C)cc3C)cc1 ZINC000045990641 557016381 /nfs/dbraw/zinc/01/63/81/557016381.db2.gz KQVJQDHSFPFQDL-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020432052 557016569 /nfs/dbraw/zinc/01/65/69/557016569.db2.gz ZHQMWHOTURVILU-UHFFFAOYSA-N 0 0 437.465 5.625 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3ccc(C(C)C)cc3)cc(C)c12 ZINC000045990870 557016767 /nfs/dbraw/zinc/01/67/67/557016767.db2.gz LFEWRKUFAISDCE-UHFFFAOYSA-N 0 0 428.536 5.487 50 0 IKAARN Fc1ccc(NC(=S)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000020438022 557016891 /nfs/dbraw/zinc/01/68/91/557016891.db2.gz QQBDMUPATHSDRI-HSZRJFAPSA-N 0 0 439.987 5.583 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)cc(C)c12 ZINC000045991787 557017426 /nfs/dbraw/zinc/01/74/26/557017426.db2.gz BLOGFMXCQOXJJG-FQEVSTJZSA-N 0 0 428.536 5.369 50 0 IKAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)cc(-c3ccccc3)c12 ZINC000045992106 557017540 /nfs/dbraw/zinc/01/75/40/557017540.db2.gz HERYHDVZSKGKBA-SFHVURJKSA-N 0 0 428.536 5.473 50 0 IKAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3cccc(Cl)c3C)cc(-c3ccccc3)c12 ZINC000045992023 557017620 /nfs/dbraw/zinc/01/76/20/557017620.db2.gz MBBKSTGGQCJMTA-MRXNPFEDSA-N 0 0 434.927 5.312 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(CC)c3n2)cc1 ZINC000045992308 557017953 /nfs/dbraw/zinc/01/79/53/557017953.db2.gz VZJXENPWTDVGNV-GOSISDBHSA-N 0 0 444.535 5.231 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000046012209 557018496 /nfs/dbraw/zinc/01/84/96/557018496.db2.gz HWPGCNYCWJAIBT-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000046012088 557018570 /nfs/dbraw/zinc/01/85/70/557018570.db2.gz UTFAAUSKMJVKMO-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000046012248 557018717 /nfs/dbraw/zinc/01/87/17/557018717.db2.gz BMXSZHFZQPPXKN-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc(=O)n2o1 ZINC000046012524 557018802 /nfs/dbraw/zinc/01/88/02/557018802.db2.gz GITWYQAYFPLBOX-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN O=C(Cc1csc(-c2cccs2)n1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010696025 557018735 /nfs/dbraw/zinc/01/87/35/557018735.db2.gz CFLZBUMAIJIMNE-HXUWFJFHSA-N 0 0 443.597 5.844 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010697468 557018803 /nfs/dbraw/zinc/01/88/03/557018803.db2.gz LMWUSDFSAOUUHE-DEOSSOPVSA-N 0 0 428.580 5.128 50 0 IKAARN O=C(Cc1csc(-c2cccs2)n1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010696030 557018874 /nfs/dbraw/zinc/01/88/74/557018874.db2.gz CFLZBUMAIJIMNE-FQEVSTJZSA-N 0 0 443.597 5.844 50 0 IKAARN O=C(NC1CC1)c1ccc(CSc2nc(-c3cccc(Br)c3)cs2)o1 ZINC000023136436 557018927 /nfs/dbraw/zinc/01/89/27/557018927.db2.gz XLFOLSORZGUDQG-UHFFFAOYSA-N 0 0 435.368 5.350 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccccc2Cl)cc1 ZINC000046012636 557019064 /nfs/dbraw/zinc/01/90/64/557019064.db2.gz SYYDWJDEIDHURA-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN CCc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)cc1 ZINC000010701101 557019647 /nfs/dbraw/zinc/01/96/47/557019647.db2.gz ZORHMDQJTRQLOQ-INIZCTEOSA-N 0 0 446.641 6.893 50 0 IKAARN CCc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)cc1 ZINC000010701094 557019752 /nfs/dbraw/zinc/01/97/52/557019752.db2.gz ZORHMDQJTRQLOQ-MRXNPFEDSA-N 0 0 446.641 6.893 50 0 IKAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000010714706 557020277 /nfs/dbraw/zinc/02/02/77/557020277.db2.gz RHSYSYQQRRVIGP-UHFFFAOYSA-N 0 0 430.810 5.884 50 0 IKAARN CCc1cc(OCC(=O)Nc2ccc(Cl)cc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017149 557020334 /nfs/dbraw/zinc/02/03/34/557020334.db2.gz VVJCPQQKTOWNBA-UHFFFAOYSA-N 0 0 434.927 5.271 50 0 IKAARN CC[C@@H](C(=O)N(Cc1nc2nc(C)cc(C)n2n1)c1ccc(Cl)cc1)c1ccccc1 ZINC000046020675 557021008 /nfs/dbraw/zinc/02/10/08/557021008.db2.gz ZLJPPCBGRJUKAS-OAQYLSRUSA-N 0 0 433.943 5.122 50 0 IKAARN c1sc(-c2ccccn2)nc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000010723643 557021358 /nfs/dbraw/zinc/02/13/58/557021358.db2.gz LIGNIOWRLRRSEL-UHFFFAOYSA-N 0 0 441.585 5.669 50 0 IKAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000010730273 557021729 /nfs/dbraw/zinc/02/17/29/557021729.db2.gz RUDBGMAXIUFSMF-INIZCTEOSA-N 0 0 449.967 5.410 50 0 IKAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccccc1C(F)(F)F ZINC000046022282 557021927 /nfs/dbraw/zinc/02/19/27/557021927.db2.gz WRIYBYQXCBNGLC-UHFFFAOYSA-N 0 0 437.512 5.610 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1ccccc1Cl ZINC000046022268 557021972 /nfs/dbraw/zinc/02/19/72/557021972.db2.gz ICXSGNSHZLWMEF-UHFFFAOYSA-N 0 0 432.014 6.025 50 0 IKAARN Cc1cc(C)c(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c(C)c1 ZINC000046022384 557022221 /nfs/dbraw/zinc/02/22/21/557022221.db2.gz HEOXKEMISUWOFC-UHFFFAOYSA-N 0 0 425.623 5.907 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022378 557022294 /nfs/dbraw/zinc/02/22/94/557022294.db2.gz JHHNVTAFNQCBCQ-UHFFFAOYSA-N 0 0 448.013 5.644 50 0 IKAARN COc1cc(OC)c(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)cc1Cl ZINC000046022751 557022585 /nfs/dbraw/zinc/02/25/85/557022585.db2.gz DRXGJMBXGPRKII-UHFFFAOYSA-N 0 0 435.915 5.084 50 0 IKAARN Cc1ccnc(N[C@@H](c2ccsc2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)c1 ZINC000043220773 557022636 /nfs/dbraw/zinc/02/26/36/557022636.db2.gz XBFCGBMCHAYRRM-QFIPXVFZSA-N 0 0 449.601 6.439 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1ccc2c(c1)OCO2 ZINC000046022504 557022641 /nfs/dbraw/zinc/02/26/41/557022641.db2.gz IUTFAIQMZRTSQG-UHFFFAOYSA-N 0 0 441.578 5.100 50 0 IKAARN Cc1cc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)ccc1Br ZINC000046022747 557022680 /nfs/dbraw/zinc/02/26/80/557022680.db2.gz ZSYGZFVRNMQHHD-UHFFFAOYSA-N 0 0 434.341 5.485 50 0 IKAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Br)cc1F ZINC000010741083 557023419 /nfs/dbraw/zinc/02/34/19/557023419.db2.gz YPJZRWKBIWOAHL-UHFFFAOYSA-N 0 0 430.302 5.146 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)c4ccc(Oc5ccccc5)cc4)n3)oc21 ZINC000010748374 557024016 /nfs/dbraw/zinc/02/40/16/557024016.db2.gz OEMDKICMRMOBLQ-UHFFFAOYSA-N 0 0 442.496 6.610 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3cc4cccc(OCC)c4o3)cs2)cc1 ZINC000010749500 557024077 /nfs/dbraw/zinc/02/40/77/557024077.db2.gz TUXKSSAFJBOPTL-UHFFFAOYSA-N 0 0 436.533 6.386 50 0 IKAARN O=S(=O)(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 ZINC000080053509 557024320 /nfs/dbraw/zinc/02/43/20/557024320.db2.gz TZESIAJXSJVDBJ-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000046044987 557025451 /nfs/dbraw/zinc/02/54/51/557025451.db2.gz QVFXLLKZRWDGGQ-IBGZPJMESA-N 0 0 440.465 5.278 50 0 IKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCc1ccc2c(c1)OCO2 ZINC000021798018 557026765 /nfs/dbraw/zinc/02/67/65/557026765.db2.gz JPRPZKTXRMYTOW-UHFFFAOYSA-N 0 0 434.499 5.737 50 0 IKAARN COc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000021797967 557026918 /nfs/dbraw/zinc/02/69/18/557026918.db2.gz FOSRCNDLMQNPHP-UHFFFAOYSA-N 0 0 434.543 6.059 50 0 IKAARN Cc1ccc(C)c(C(=O)c2cn(Cc3c(F)cccc3Cl)c3nc(C)ccc3c2=O)c1 ZINC000046053775 557027069 /nfs/dbraw/zinc/02/70/69/557027069.db2.gz HFOFWYVWXCHBHZ-UHFFFAOYSA-N 0 0 434.898 5.394 50 0 IKAARN CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc4c(cccc4F)s3)sc2C)s1 ZINC000023151153 557027978 /nfs/dbraw/zinc/02/79/78/557027978.db2.gz VQSPZBHSDJNXQD-UHFFFAOYSA-N 0 0 445.566 5.422 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153721 557028338 /nfs/dbraw/zinc/02/83/38/557028338.db2.gz SQRMTFLPTIRFJO-UHFFFAOYSA-N 0 0 448.588 5.352 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056533 557028430 /nfs/dbraw/zinc/02/84/30/557028430.db2.gz GEIYOOUWWGTOBX-IBGZPJMESA-N 0 0 429.907 5.604 50 0 IKAARN CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000060208325 557028581 /nfs/dbraw/zinc/02/85/81/557028581.db2.gz VIZJQINRZVWLNJ-QFIPXVFZSA-N 0 0 430.895 5.483 50 0 IKAARN Cc1nn(-c2cccc(C)c2C)c2c1C(=C(O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046057323 557029110 /nfs/dbraw/zinc/02/91/10/557029110.db2.gz HWGQMTPAAGSRMA-HSZRJFAPSA-N 0 0 441.575 6.154 50 0 IKAARN Cc1nc2sc([C@@H](c3ccc(C)cc3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023156865 557032047 /nfs/dbraw/zinc/03/20/47/557032047.db2.gz RRVLWINJGQOKEA-JOCHJYFZSA-N 0 0 432.593 5.157 50 0 IKAARN CCOc1ccc(OCc2nnc(S[C@H](C)C(C)=O)n2-c2ccc(C)c(Cl)c2)cc1 ZINC000072105719 557032457 /nfs/dbraw/zinc/03/24/57/557032457.db2.gz DCKDDGABGPKWEG-MRXNPFEDSA-N 0 0 445.972 5.276 50 0 IKAARN CCCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076158 557032475 /nfs/dbraw/zinc/03/24/75/557032475.db2.gz UHKMOFIAALLFOT-LJQANCHMSA-N 0 0 437.561 6.085 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)cc1 ZINC000046076331 557032488 /nfs/dbraw/zinc/03/24/88/557032488.db2.gz YGYNPYMURNBJGD-CQSZACIVSA-N 0 0 432.314 5.799 50 0 IKAARN COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c(-c3ccccc3F)csc21 ZINC000046076738 557032694 /nfs/dbraw/zinc/03/26/94/557032694.db2.gz QZEQEARFJUWJFR-AWEZNQCLSA-N 0 0 432.314 5.799 50 0 IKAARN COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21 ZINC000046076740 557032764 /nfs/dbraw/zinc/03/27/64/557032764.db2.gz QZEQEARFJUWJFR-CQSZACIVSA-N 0 0 432.314 5.799 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2ccccc2NC3=O)cc1C ZINC000046077516 557033219 /nfs/dbraw/zinc/03/32/19/557033219.db2.gz WBTSDBZFNZBLRT-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c(C)c1 ZINC000046077641 557033260 /nfs/dbraw/zinc/03/32/60/557033260.db2.gz HWPQTHXCFQQNOB-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000046078596 557033575 /nfs/dbraw/zinc/03/35/75/557033575.db2.gz SCHAKGIICZWORQ-UHFFFAOYSA-N 0 0 442.515 5.017 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000046078586 557033589 /nfs/dbraw/zinc/03/35/89/557033589.db2.gz PCLKBXUQDJFBIR-UHFFFAOYSA-N 0 0 434.923 5.502 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078797 557033824 /nfs/dbraw/zinc/03/38/24/557033824.db2.gz ZJYGIEABNRDQQB-UHFFFAOYSA-N 0 0 434.923 5.584 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000046078799 557033827 /nfs/dbraw/zinc/03/38/27/557033827.db2.gz XMSWGWULPGLVDG-UHFFFAOYSA-N 0 0 434.923 5.584 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078885 557033851 /nfs/dbraw/zinc/03/38/51/557033851.db2.gz RGALAUUFXXMJAS-UHFFFAOYSA-N 0 0 434.923 5.584 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000046078897 557033867 /nfs/dbraw/zinc/03/38/67/557033867.db2.gz WMMANHILAMBPHH-UHFFFAOYSA-N 0 0 432.907 5.388 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079099 557034048 /nfs/dbraw/zinc/03/40/48/557034048.db2.gz UDKNSVYSFAUZES-UHFFFAOYSA-N 0 0 438.886 5.333 50 0 IKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1=O ZINC000046079431 557034367 /nfs/dbraw/zinc/03/43/67/557034367.db2.gz BRWDDLABFSLNHP-UHFFFAOYSA-N 0 0 431.580 5.448 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000046079574 557034567 /nfs/dbraw/zinc/03/45/67/557034567.db2.gz RXGMMGPMVXKVGR-UHFFFAOYSA-N 0 0 435.543 5.278 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000046079594 557034575 /nfs/dbraw/zinc/03/45/75/557034575.db2.gz WTXNQPSBRZLDES-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc(N3CCCN(Cc4cccc(F)c4)C3=O)cc2)cc1 ZINC000046079525 557034677 /nfs/dbraw/zinc/03/46/77/557034677.db2.gz PVJLAWJSJHIBNC-UHFFFAOYSA-N 0 0 445.494 5.113 50 0 IKAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000046079645 557035076 /nfs/dbraw/zinc/03/50/76/557035076.db2.gz CMCLBONTWKWKCB-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080036 557035237 /nfs/dbraw/zinc/03/52/37/557035237.db2.gz GJBDUXRWSPKAGX-UHFFFAOYSA-N 0 0 433.939 5.102 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)no2)cc1OC ZINC000046087007 557036217 /nfs/dbraw/zinc/03/62/17/557036217.db2.gz MLZFRZDALLGQFH-UHFFFAOYSA-N 0 0 426.778 5.283 50 0 IKAARN CCCCn1nc(NC(=O)c2ccccc2Br)c2cc3ccc(C)cc3nc21 ZINC000017209158 557039108 /nfs/dbraw/zinc/03/91/08/557039108.db2.gz PYOAYFDUJNZRIT-UHFFFAOYSA-N 0 0 437.341 5.708 50 0 IKAARN Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)c(C)c1 ZINC000010851392 557039249 /nfs/dbraw/zinc/03/92/49/557039249.db2.gz QFYCNNNDWNDFQT-UHFFFAOYSA-N 0 0 436.939 5.066 50 0 IKAARN Clc1ccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200415 557040183 /nfs/dbraw/zinc/04/01/83/557040183.db2.gz PUROWDYKQACTEC-UHFFFAOYSA-N 0 0 432.959 6.347 50 0 IKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c12 ZINC000023182786 557044195 /nfs/dbraw/zinc/04/41/95/557044195.db2.gz VGPOFPWSXPEJBX-UHFFFAOYSA-N 0 0 440.503 5.077 50 0 IKAARN Cc1nc(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)n(C2CCCCC2)c1C ZINC000010869053 557044528 /nfs/dbraw/zinc/04/45/28/557044528.db2.gz UDJOYUZWIUCMEB-UHFFFAOYSA-N 0 0 449.580 6.311 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)cc1 ZINC000046146388 557044536 /nfs/dbraw/zinc/04/45/36/557044536.db2.gz XNQWZRZSJDPZER-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)NCCc4ccc(Cl)cc4)c3)nc2)cc1 ZINC000046146447 557044551 /nfs/dbraw/zinc/04/45/51/557044551.db2.gz QUYWAJDBNMZVCP-UHFFFAOYSA-N 0 0 442.950 5.822 50 0 IKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)nc2)c1 ZINC000046146372 557044571 /nfs/dbraw/zinc/04/45/71/557044571.db2.gz ZEZYBNCYKSFHJY-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1 ZINC000046146410 557044639 /nfs/dbraw/zinc/04/46/39/557044639.db2.gz ORJVJKYOJYUXPY-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000046146471 557045046 /nfs/dbraw/zinc/04/50/46/557045046.db2.gz GWYBJKLBYLXWQA-UHFFFAOYSA-N 0 0 446.913 5.652 50 0 IKAARN COc1cccc(-n2c3nc(SCc4cccc(Cl)c4)[nH]c(=O)c3sc2=S)c1 ZINC000032948251 557045936 /nfs/dbraw/zinc/04/59/36/557045936.db2.gz KQQGIWQNUFQLJF-UHFFFAOYSA-N 0 0 447.994 5.459 50 0 IKAARN Clc1ccc2c(c1)[C@@H](c1ccccc1)Nc1ccc(Cl)cc1[C@H](c1ccccc1)N2 ZINC000023190953 557046620 /nfs/dbraw/zinc/04/66/20/557046620.db2.gz VMAFQGYDGSQDGZ-WMPKNSHKSA-N 0 0 431.366 7.710 50 0 IKAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000017296804 557046788 /nfs/dbraw/zinc/04/67/88/557046788.db2.gz DMQFWNZFHTUUMJ-DEOSSOPVSA-N 0 0 446.572 5.117 50 0 IKAARN Clc1ccc2c(c1)[C@H](c1ccccc1)Nc1ccc(Cl)cc1[C@H](c1ccccc1)N2 ZINC000023190950 557046904 /nfs/dbraw/zinc/04/69/04/557046904.db2.gz VMAFQGYDGSQDGZ-UIOOFZCWSA-N 0 0 431.366 7.710 50 0 IKAARN Cc1cc2nc(SCc3noc(CCC(=O)Nc4ccccc4Cl)n3)[nH]c2cc1C ZINC000033271011 557048528 /nfs/dbraw/zinc/04/85/28/557048528.db2.gz DAFXQKTYXCJIIK-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN CCCCCCc1cc2cc(-c3csc(Nc4ccccc4F)n3)c(=O)oc2cc1O ZINC000017269930 557048587 /nfs/dbraw/zinc/04/85/87/557048587.db2.gz FJDJEGLRYBZORJ-UHFFFAOYSA-N 0 0 438.524 6.628 50 0 biogenic IKAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 ZINC000017270896 557048805 /nfs/dbraw/zinc/04/88/05/557048805.db2.gz PCXVCEKMZMQKEE-UHFFFAOYSA-N 0 0 434.561 5.772 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000017270787 557048969 /nfs/dbraw/zinc/04/89/69/557048969.db2.gz KBBPWTADIBAXBG-UHFFFAOYSA-N 0 0 445.567 5.560 50 0 IKAARN Cc1ccccc1-c1csc(SCc2noc(CCC(=O)Nc3ccccc3)n2)n1 ZINC000033271070 557048935 /nfs/dbraw/zinc/04/89/35/557048935.db2.gz JUXNQBKSLSNHEP-UHFFFAOYSA-N 0 0 436.562 5.365 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2CC)cc1 ZINC000017271248 557049090 /nfs/dbraw/zinc/04/90/90/557049090.db2.gz VZJGVJBDISHZJM-UHFFFAOYSA-N 0 0 433.581 5.520 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271488 557049144 /nfs/dbraw/zinc/04/91/44/557049144.db2.gz WYQLHXUIAPUWAW-SFHVURJKSA-N 0 0 432.549 5.362 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(C)ccc3C)sc2c1 ZINC000033271671 557049764 /nfs/dbraw/zinc/04/97/64/557049764.db2.gz OHICEXPZPMFCBH-SFHVURJKSA-N 0 0 432.549 5.280 50 0 IKAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OCC)cc3s2)cc1 ZINC000033271693 557049834 /nfs/dbraw/zinc/04/98/34/557049834.db2.gz ISUYDKDFOCFMDM-GOSISDBHSA-N 0 0 448.548 5.062 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)nc3n2)cc1 ZINC000033271821 557050025 /nfs/dbraw/zinc/05/00/25/557050025.db2.gz XELHBXRCXVFFJE-UHFFFAOYSA-N 0 0 445.832 5.333 50 0 IKAARN Cc1nc(C2(NC(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)CCCC2)no1 ZINC000048272583 557051168 /nfs/dbraw/zinc/05/11/68/557051168.db2.gz ZTPCDAOYNLIDRM-UHFFFAOYSA-N 0 0 436.459 5.028 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OCC ZINC000017315523 557053528 /nfs/dbraw/zinc/05/35/28/557053528.db2.gz MDAINUAJLITNRP-UHFFFAOYSA-N 0 0 444.531 5.329 50 0 IKAARN CCOc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308008 557054259 /nfs/dbraw/zinc/05/42/59/557054259.db2.gz YUAWNCZXXAEFDJ-SFHVURJKSA-N 0 0 428.540 5.194 50 0 IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000022969397 557055029 /nfs/dbraw/zinc/05/50/29/557055029.db2.gz LYKPALCABAAETF-UHFFFAOYSA-N 0 0 432.907 5.146 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(Sc3cc(CC)nc4nc(C)nn43)cc2)cc1 ZINC000033276005 557055159 /nfs/dbraw/zinc/05/51/59/557055159.db2.gz AUSRSPRFHBVVAO-UHFFFAOYSA-N 0 0 432.553 5.353 50 0 IKAARN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Br ZINC000017312609 557055916 /nfs/dbraw/zinc/05/59/16/557055916.db2.gz RTRYSOIFJKAPNF-OAHLLOKOSA-N 0 0 443.772 6.206 50 0 IKAARN Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000032948334 557055938 /nfs/dbraw/zinc/05/59/38/557055938.db2.gz ZJBJEOVTSRBRNJ-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000048276677 557056282 /nfs/dbraw/zinc/05/62/82/557056282.db2.gz IAYLCRBWTOTZCX-UHFFFAOYSA-N 0 0 439.309 5.238 50 0 IKAARN COc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3ccccc3n2)cc1OC ZINC000048276249 557056383 /nfs/dbraw/zinc/05/63/83/557056383.db2.gz YQYJAZRDSCNBPT-UHFFFAOYSA-N 0 0 441.531 5.365 50 0 IKAARN O=C(CSc1ccccc1F)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000022993417 557056402 /nfs/dbraw/zinc/05/64/02/557056402.db2.gz ROZGEXJGHHCDCG-UHFFFAOYSA-N 0 0 430.936 5.195 50 0 IKAARN Cc1cccc([C@@H](O)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C ZINC000082048770 557056545 /nfs/dbraw/zinc/05/65/45/557056545.db2.gz MRSWAVYGHKFFDV-SSEXGKCCSA-N 0 0 444.578 6.422 50 0 IKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000023012586 557057391 /nfs/dbraw/zinc/05/73/91/557057391.db2.gz DVJBUJTYRVEODS-UHFFFAOYSA-N 0 0 433.562 5.324 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(CC(F)(F)F)c3ccccn3)c3c(C)noc3n2)s1 ZINC000048279537 557057438 /nfs/dbraw/zinc/05/74/38/557057438.db2.gz QSLVFCWGTXKNFN-UHFFFAOYSA-N 0 0 432.427 5.172 50 0 IKAARN O=C(COC(=O)c1[nH]c2ccccc2c1Br)Nc1c(Cl)cccc1Cl ZINC000048285846 557058166 /nfs/dbraw/zinc/05/81/66/557058166.db2.gz IYBKPAVWCXSZHH-UHFFFAOYSA-N 0 0 442.096 5.033 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000023039557 557058810 /nfs/dbraw/zinc/05/88/10/557058810.db2.gz KHSVCJOGKJOEIC-UHFFFAOYSA-N 0 0 437.323 5.572 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccc3)s2)cc1 ZINC000033277377 557059044 /nfs/dbraw/zinc/05/90/44/557059044.db2.gz UEIAFENSVHDWFA-UHFFFAOYSA-N 0 0 448.569 5.146 50 0 IKAARN CCn1c(C(=O)NCCCOC(C)C)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277402 557059243 /nfs/dbraw/zinc/05/92/43/557059243.db2.gz JSRLUGOJAOXZCV-UHFFFAOYSA-N 0 0 436.581 5.120 50 0 IKAARN O=C(Nc1cccc2ccccc21)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000023053670 557060068 /nfs/dbraw/zinc/06/00/68/557060068.db2.gz DBLWCEASKQLELL-UHFFFAOYSA-N 0 0 434.590 5.375 50 0 IKAARN CCN(C(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1CC)c1ccccc1 ZINC000033278130 557060173 /nfs/dbraw/zinc/06/01/73/557060173.db2.gz VKFUNMSXDBTLRP-UHFFFAOYSA-N 0 0 449.601 5.290 50 0 IKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1Cl ZINC000048309756 557060206 /nfs/dbraw/zinc/06/02/06/557060206.db2.gz MDJKJGBQQKVAKZ-UHFFFAOYSA-N 0 0 431.945 5.910 50 0 IKAARN COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c(OC)c1 ZINC000048309760 557060257 /nfs/dbraw/zinc/06/02/57/557060257.db2.gz DQQBGDDJNVHFKK-UHFFFAOYSA-N 0 0 425.916 5.064 50 0 IKAARN COc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1cccs1 ZINC000023055052 557060374 /nfs/dbraw/zinc/06/03/74/557060374.db2.gz KTFBDDYGYRISHT-UHFFFAOYSA-N 0 0 440.546 5.116 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)c(OC)c1 ZINC000033278571 557060413 /nfs/dbraw/zinc/06/04/13/557060413.db2.gz WVKQBDZORIDBCR-UHFFFAOYSA-N 0 0 447.466 5.711 50 0 IKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000033278507 557060424 /nfs/dbraw/zinc/06/04/24/557060424.db2.gz KKUXERMEDPUFAF-UHFFFAOYSA-N 0 0 427.460 5.592 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(OC)c2c1 ZINC000033278651 557060447 /nfs/dbraw/zinc/06/04/47/557060447.db2.gz VZYMFZMKTOKVTI-UHFFFAOYSA-N 0 0 447.922 6.607 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4cccc(C)c4)cc(OC)c3c2)c(OC)c1 ZINC000033278727 557060664 /nfs/dbraw/zinc/06/06/64/557060664.db2.gz NMPHIACIVUYJGV-UHFFFAOYSA-N 0 0 443.503 5.880 50 0 IKAARN COC(=O)c1sccc1NC(=O)Nc1ccc2nc(-c3cccc(C)c3)cc(OC)c2c1 ZINC000033278732 557060766 /nfs/dbraw/zinc/06/07/66/557060766.db2.gz OLJSIDNWYVZCTB-UHFFFAOYSA-N 0 0 447.516 5.711 50 0 IKAARN O=C(COc1cc(Cl)ccc1Cl)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000023055215 557060825 /nfs/dbraw/zinc/06/08/25/557060825.db2.gz OHRVSKRCOJBXNZ-JOCHJYFZSA-N 0 0 426.303 5.154 50 0 IKAARN Cc1sc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000033278863 557060845 /nfs/dbraw/zinc/06/08/45/557060845.db2.gz YQZWZXMDIJDEDW-UHFFFAOYSA-N 0 0 447.409 5.180 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2NC1=O ZINC000023057832 557061102 /nfs/dbraw/zinc/06/11/02/557061102.db2.gz HTMCEMPZQJWWLE-CYBMUJFWSA-N 0 0 426.394 5.344 50 0 IKAARN COc1cccc(-c2nc(C(=O)Nc3ccc(Br)c(C)c3)cs2)c1OC ZINC000023074564 557061467 /nfs/dbraw/zinc/06/14/67/557061467.db2.gz LBSMLYIAVUBVDB-UHFFFAOYSA-N 0 0 433.327 5.151 50 0 IKAARN Clc1ccc2c(c1)nc(CSc1nnc(NC3CC3)s1)n2Cc1ccccc1 ZINC000023074646 557061797 /nfs/dbraw/zinc/06/17/97/557061797.db2.gz VENNXEJXTSARNN-UHFFFAOYSA-N 0 0 427.986 5.456 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3)nn2)c(C)c1C ZINC000082230609 557061859 /nfs/dbraw/zinc/06/18/59/557061859.db2.gz HGMUPVOTVDQWKL-UHFFFAOYSA-N 0 0 441.539 5.592 50 0 IKAARN COc1cc(C)ccc1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000048300353 557061973 /nfs/dbraw/zinc/06/19/73/557061973.db2.gz YROQUZZAJAQXQD-UHFFFAOYSA-N 0 0 440.341 5.083 50 0 IKAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N([C@H](C)C3CC3)C3CC3)c12 ZINC000048300761 557062405 /nfs/dbraw/zinc/06/24/05/557062405.db2.gz HAEHBKHOFIQIKE-CYBMUJFWSA-N 0 0 429.442 5.620 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)NC3CCCCC3)nc(N3CCCCC3)c12 ZINC000033279988 557062507 /nfs/dbraw/zinc/06/25/07/557062507.db2.gz CDEOWVUOGZTXLL-UHFFFAOYSA-N 0 0 431.584 5.090 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3F)nc(N3CCCC3)c12 ZINC000033279944 557062522 /nfs/dbraw/zinc/06/25/22/557062522.db2.gz QFHHCJVSXMUIQK-UHFFFAOYSA-N 0 0 447.489 5.168 50 0 IKAARN CCOC(=O)C[C@H](NC(=O)Nc1c2cc(F)ccc2[nH]c1-c1cccnc1)c1ccccc1 ZINC000033280000 557062865 /nfs/dbraw/zinc/06/28/65/557062865.db2.gz NUTXRRKQHVDJPU-NRFANRHFSA-N 0 0 446.482 5.185 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000048302280 557063262 /nfs/dbraw/zinc/06/32/62/557063262.db2.gz FHAJBVVUBFBHHZ-QGZVFWFLSA-N 0 0 446.359 5.360 50 0 IKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364482 557064656 /nfs/dbraw/zinc/06/46/56/557064656.db2.gz CBIQJSNQVNZDNM-QFIPXVFZSA-N 0 0 434.495 5.076 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000023125769 557065244 /nfs/dbraw/zinc/06/52/44/557065244.db2.gz MYVZAFQNIOOLLM-UHFFFAOYSA-N 0 0 448.997 5.350 50 0 IKAARN Cc1ccccc1Oc1nccnc1N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000033288242 557065622 /nfs/dbraw/zinc/06/56/22/557065622.db2.gz WDDUFBDGWAFCDJ-UHFFFAOYSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000033288446 557065725 /nfs/dbraw/zinc/06/57/25/557065725.db2.gz AJMATPCURCYJGI-HXUWFJFHSA-N 0 0 432.593 5.408 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)/C=C\c4ccc(Br)cc4)ccc3o2)cc1 ZINC000033288440 557065862 /nfs/dbraw/zinc/06/58/62/557065862.db2.gz MFTCSLFIZJKFQC-PQMHYQBVSA-N 0 0 449.304 5.918 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(C)c(C)c3)C2)c1 ZINC000033288785 557066177 /nfs/dbraw/zinc/06/61/77/557066177.db2.gz IVAQJWJVCJMHPN-JOCHJYFZSA-N 0 0 446.620 5.086 50 0 IKAARN O=C(CSc1nccnc1Sc1ccccc1)Nc1cccc(Br)c1 ZINC000033288901 557066478 /nfs/dbraw/zinc/06/64/78/557066478.db2.gz PNJDMMIFFLOJIW-UHFFFAOYSA-N 0 0 432.368 5.121 50 0 IKAARN O=C(CCc1nc(-c2ccco2)no1)N(CCc1ccccc1)c1nc2ccccc2s1 ZINC000048312504 557066920 /nfs/dbraw/zinc/06/69/20/557066920.db2.gz CFLPLCRLMMUKSW-UHFFFAOYSA-N 0 0 444.516 5.148 50 0 IKAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000048312323 557066933 /nfs/dbraw/zinc/06/69/33/557066933.db2.gz MNNXYMNNSDQEIB-UHFFFAOYSA-N 0 0 442.950 5.084 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(Oc2ccc(C(=O)N3CCCCC3)cc2)nc1)c1ccccc1 ZINC000033281373 557067130 /nfs/dbraw/zinc/06/71/30/557067130.db2.gz SGIKZFNKWVWRJR-XMMPIXPASA-N 0 0 443.547 5.632 50 0 IKAARN Cc1ccc(CC(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)cc1 ZINC000033281382 557067136 /nfs/dbraw/zinc/06/71/36/557067136.db2.gz XGHCUQNIEXOEKQ-UHFFFAOYSA-N 0 0 443.547 5.236 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(Oc2ccc(C(=O)N3CCCCC3)cc2)nc1)c1ccccc1 ZINC000033281374 557067143 /nfs/dbraw/zinc/06/71/43/557067143.db2.gz SGIKZFNKWVWRJR-DEOSSOPVSA-N 0 0 443.547 5.632 50 0 IKAARN CC1CCN(C(=O)c2ccc(Oc3ccc(NC(=O)CCc4ccccc4)cn3)cc2)CC1 ZINC000033281392 557067421 /nfs/dbraw/zinc/06/74/21/557067421.db2.gz XKHBQRNHJCJADC-UHFFFAOYSA-N 0 0 443.547 5.317 50 0 IKAARN Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC000017367605 557067939 /nfs/dbraw/zinc/06/79/39/557067939.db2.gz PLEIRMXGPDOEQY-UHFFFAOYSA-N 0 0 428.579 5.005 50 0 IKAARN CCc1cc(=O)oc2cc(OCc3csc(N(C(C)=O)c4cccc(C)c4)n3)ccc12 ZINC000010883294 557068000 /nfs/dbraw/zinc/06/80/00/557068000.db2.gz DOEXIAKDVBFATJ-UHFFFAOYSA-N 0 0 434.517 5.384 50 0 IKAARN O=C(c1cc(Cl)sc1Cl)N(C[C@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000010884011 557068269 /nfs/dbraw/zinc/06/82/69/557068269.db2.gz NVBJIQVQNDAQCB-SECBINFHSA-N 0 0 431.341 5.630 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2NC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000033291083 557069346 /nfs/dbraw/zinc/06/93/46/557069346.db2.gz USZWQJDYHCWDIV-ZAGBYUSBSA-N 0 0 442.515 5.316 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4C)c(C)c3)sc2c1 ZINC000033289298 557070932 /nfs/dbraw/zinc/07/09/32/557070932.db2.gz SJALFIPCCQBZCR-UHFFFAOYSA-N 0 0 438.574 5.698 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)sc2c1 ZINC000033289322 557071084 /nfs/dbraw/zinc/07/10/84/557071084.db2.gz VONBIPMRBYCYEL-UHFFFAOYSA-N 0 0 448.491 6.091 50 0 IKAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)C)cc4)C3)n2)c1 ZINC000033289853 557071559 /nfs/dbraw/zinc/07/15/59/557071559.db2.gz RJWYQRJXTJODEU-OAQYLSRUSA-N 0 0 446.551 5.228 50 0 IKAARN Cc1csc(-c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c(C)s2)n1 ZINC000033289984 557071841 /nfs/dbraw/zinc/07/18/41/557071841.db2.gz BKDLELRWYRHWKR-UHFFFAOYSA-N 0 0 432.636 5.132 50 0 IKAARN Cc1cccc(CN(Cn2nc([C@@H](C)N(C)C)n(-c3ccc(F)cc3)c2=S)C2CC2)c1 ZINC000048354143 557072269 /nfs/dbraw/zinc/07/22/69/557072269.db2.gz WXLLETMEJISFCN-GOSISDBHSA-N 0 0 439.604 5.096 50 0 IKAARN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cn(C(C)C)c3ccccc23)C1=O ZINC000033293912 557072270 /nfs/dbraw/zinc/07/22/70/557072270.db2.gz FANQGAIOBOLDDE-MTJSOVHGSA-N 0 0 433.533 5.206 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000023193557 557072594 /nfs/dbraw/zinc/07/25/94/557072594.db2.gz XSBPSLHXSBFPQO-CRICUBBOSA-N 0 0 448.950 5.392 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000023193554 557072666 /nfs/dbraw/zinc/07/26/66/557072666.db2.gz XSBPSLHXSBFPQO-GKVSMKOHSA-N 0 0 448.950 5.392 50 0 IKAARN COc1ccc([C@H](C)NS(=O)(=O)c2cc(-c3nc(CC(C)C)cs3)cs2)cc1 ZINC000033297755 557073271 /nfs/dbraw/zinc/07/32/71/557073271.db2.gz MDFVPVLPHHMVGV-AWEZNQCLSA-N 0 0 436.624 5.118 50 0 IKAARN CC(C)c1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297852 557073684 /nfs/dbraw/zinc/07/36/84/557073684.db2.gz AIJMIWRYQUDJHD-UHFFFAOYSA-N 0 0 434.652 5.771 50 0 IKAARN Fc1ccc(-n2nc(CSc3nncn3-c3cccc(Cl)c3)c3c2CCC3)cc1 ZINC000048355154 557073686 /nfs/dbraw/zinc/07/36/86/557073686.db2.gz ABRZSSLIGHIWQH-UHFFFAOYSA-N 0 0 425.920 5.027 50 0 IKAARN COc1ccc(O[C@@H](C)C(=O)N(c2nc3ccccc3s2)c2ccc(C)cc2C)cc1 ZINC000048355520 557073919 /nfs/dbraw/zinc/07/39/19/557073919.db2.gz DHUWJFRJWSFGLX-SFHVURJKSA-N 0 0 432.545 6.054 50 0 IKAARN COC(=O)[C@H]1C(C)=C(c2ccccc2)S[C@]1(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000043766893 557078227 /nfs/dbraw/zinc/07/82/27/557078227.db2.gz NUQHBZPRXOLJTQ-ATIYNZHBSA-N 0 0 426.541 5.774 50 0 IKAARN Cc1nc2ccccc2nc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023248953 557078346 /nfs/dbraw/zinc/07/83/46/557078346.db2.gz VMKGPXINKSUETK-UHFFFAOYSA-N 0 0 444.529 5.124 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000024632115 557078447 /nfs/dbraw/zinc/07/84/47/557078447.db2.gz MBXNBEGUJZSBPP-FQEVSTJZSA-N 0 0 449.576 5.953 50 0 IKAARN COc1cccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)c1 ZINC000049001855 557081146 /nfs/dbraw/zinc/08/11/46/557081146.db2.gz IUFRDZKQJMQOKW-UHFFFAOYSA-N 0 0 441.516 5.441 50 0 IKAARN O=C(CSc1ncnc2sccc21)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000011308116 557082122 /nfs/dbraw/zinc/08/21/22/557082122.db2.gz OFOOBJFZKNOLPD-QGZVFWFLSA-N 0 0 429.617 5.081 50 0 IKAARN CC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 ZINC000023299334 557083074 /nfs/dbraw/zinc/08/30/74/557083074.db2.gz QZSWARMYWKDKHG-UHFFFAOYSA-N 0 0 439.309 5.381 50 0 IKAARN Cc1cc(SCC(=O)Nc2c(C)cccc2C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000033301532 557083353 /nfs/dbraw/zinc/08/33/53/557083353.db2.gz LGOIGEXBTZJDHY-UHFFFAOYSA-N 0 0 431.483 5.818 50 0 IKAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000023311162 557083408 /nfs/dbraw/zinc/08/34/08/557083408.db2.gz VFIULNARUKFQMP-UHFFFAOYSA-N 0 0 436.527 5.138 50 0 IKAARN CCOc1ccccc1-c1nc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)o1 ZINC000048990125 557083676 /nfs/dbraw/zinc/08/36/76/557083676.db2.gz PLRKLIQLAJMVDL-UHFFFAOYSA-N 0 0 448.544 5.444 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)ccc1OC ZINC000049005010 557084034 /nfs/dbraw/zinc/08/40/34/557084034.db2.gz PKDYKCXNFSQNPO-KRWDZBQOSA-N 0 0 434.540 5.104 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000049005430 557084533 /nfs/dbraw/zinc/08/45/33/557084533.db2.gz KDAFHQNNVVUVIN-UHFFFAOYSA-N 0 0 428.458 5.573 50 0 IKAARN COc1ccc(Cc2noc(CN(C)Cc3sc4ccccc4c3Cl)n2)cc1OC ZINC000023338205 557085185 /nfs/dbraw/zinc/08/51/85/557085185.db2.gz NOIGNNCAYJOTOK-UHFFFAOYSA-N 0 0 443.956 5.178 50 0 IKAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3nccnc23)ccc1F ZINC000023339943 557086091 /nfs/dbraw/zinc/08/60/91/557086091.db2.gz FBOUNCXRBXMTDX-HHHXNRCGSA-N 0 0 438.506 5.407 50 0 IKAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000023342350 557086370 /nfs/dbraw/zinc/08/63/70/557086370.db2.gz HTDQZOBTBDWHCO-UHFFFAOYSA-N 0 0 427.382 5.032 50 0 IKAARN O=C(/C=C/c1cccs1)Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000033307423 557086746 /nfs/dbraw/zinc/08/67/46/557086746.db2.gz OOLQYQGSFQDUFO-ZHACJKMWSA-N 0 0 437.908 5.682 50 0 IKAARN O=C(Cc1cccs1)Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000033307403 557086883 /nfs/dbraw/zinc/08/68/83/557086883.db2.gz MRZUBTJJRMCBHJ-UHFFFAOYSA-N 0 0 425.897 5.212 50 0 IKAARN O=C(c1ccc(COc2cccc3ccccc32)o1)N1CCC(Cc2ccccc2)CC1 ZINC000023358691 557086991 /nfs/dbraw/zinc/08/69/91/557086991.db2.gz SKMGDLNWBJNMGG-UHFFFAOYSA-N 0 0 425.528 6.107 50 0 IKAARN COc1ccccc1-c1cc(C(F)(F)F)nc(N(C2CCCCC2)C2CCCCC2)n1 ZINC000004757736 557087239 /nfs/dbraw/zinc/08/72/39/557087239.db2.gz VNQBBKIYUONCCR-UHFFFAOYSA-N 0 0 433.518 6.643 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2ccc(-n3ccnc3)nc21 ZINC000049028061 557088281 /nfs/dbraw/zinc/08/82/81/557088281.db2.gz APIQGWUMWTUSBR-UHFFFAOYSA-N 0 0 429.867 5.290 50 0 IKAARN O=C(Nc1cccc(CN2CCOCC2)c1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000023379239 557088771 /nfs/dbraw/zinc/08/87/71/557088771.db2.gz PMSYEUPZEVPOSR-UHFFFAOYSA-N 0 0 436.939 5.004 50 0 IKAARN O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000049029695 557089072 /nfs/dbraw/zinc/08/90/72/557089072.db2.gz FDPJIONFLNDNCR-UHFFFAOYSA-N 0 0 428.823 5.015 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cc(-c2sc(-c3cccc(C)c3)nc2C)n[nH]1 ZINC000049002328 557090208 /nfs/dbraw/zinc/09/02/08/557090208.db2.gz IOQFGQQRPOOINB-UHFFFAOYSA-N 0 0 432.549 5.146 50 0 IKAARN CCOC(=O)c1ccc(NCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1 ZINC000004761696 557091975 /nfs/dbraw/zinc/09/19/75/557091975.db2.gz DLKPUINFGYKCPM-UHFFFAOYSA-N 0 0 449.938 5.558 50 0 IKAARN Cc1c2ccccc2oc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023454237 557092795 /nfs/dbraw/zinc/09/27/95/557092795.db2.gz XRGVKFAVGPXYPX-RUZDIDTESA-N 0 0 444.962 5.942 50 0 IKAARN COc1cc(Cl)c(C)cc1Nc1c(C(=O)N2CCCCCC2)cnc2nc(C)ccc21 ZINC000049004766 557092931 /nfs/dbraw/zinc/09/29/31/557092931.db2.gz YONJCJDPDXSBIB-UHFFFAOYSA-N 0 0 438.959 5.668 50 0 IKAARN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2S1 ZINC000017525465 557093066 /nfs/dbraw/zinc/09/30/66/557093066.db2.gz OUYYMYUADJOXNR-MRXNPFEDSA-N 0 0 428.985 5.110 50 0 IKAARN Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4cccc(C)c4)ccc3n2)cc1 ZINC000033310112 557093272 /nfs/dbraw/zinc/09/32/72/557093272.db2.gz OGKWWHSDGFCVTH-UHFFFAOYSA-N 0 0 437.543 5.608 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000008426660 557095149 /nfs/dbraw/zinc/09/51/49/557095149.db2.gz UMLPMZKGGPUJSG-RBBKRZOGSA-N 0 0 436.309 5.095 50 0 IKAARN COc1c(Br)cc(F)cc1NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000023513275 557095620 /nfs/dbraw/zinc/09/56/20/557095620.db2.gz HOEUBEYRRUKGKX-UHFFFAOYSA-N 0 0 432.245 5.312 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)cc1Cl ZINC000033312703 557096488 /nfs/dbraw/zinc/09/64/88/557096488.db2.gz RZNCMLMUYXMEEA-UHFFFAOYSA-N 0 0 440.862 5.455 50 0 IKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000033312269 557096503 /nfs/dbraw/zinc/09/65/03/557096503.db2.gz PBVBXPRAHBYAPG-UHFFFAOYSA-N 0 0 439.890 6.682 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccccc1Br ZINC000033312579 557097277 /nfs/dbraw/zinc/09/72/77/557097277.db2.gz MYRXHBSAYNTDSP-UHFFFAOYSA-N 0 0 431.359 5.005 50 0 IKAARN Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3ccc(Br)cc3)c12 ZINC000033313957 557098564 /nfs/dbraw/zinc/09/85/64/557098564.db2.gz JAZQBTNJEABKFP-UHFFFAOYSA-N 0 0 429.268 5.822 50 0 IKAARN COc1cccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)c1OC ZINC000004767890 557098581 /nfs/dbraw/zinc/09/85/81/557098581.db2.gz MCLNMBUNDSGBIH-QHCPKHFHSA-N 0 0 447.535 5.218 50 0 IKAARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nc3ccccc3n21 ZINC000004767941 557098603 /nfs/dbraw/zinc/09/86/03/557098603.db2.gz DUPSVERSWXSGOH-XMMPIXPASA-N 0 0 431.536 5.600 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2F)c(C)c1 ZINC000004768007 557098995 /nfs/dbraw/zinc/09/89/95/557098995.db2.gz GKDBFPVWCXHJGZ-XMMPIXPASA-N 0 0 426.495 5.720 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000010916881 557099011 /nfs/dbraw/zinc/09/90/11/557099011.db2.gz QWECOAVCSCOEAC-UHFFFAOYSA-N 0 0 431.359 5.016 50 0 IKAARN CCOc1ccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1 ZINC000033316505 557099050 /nfs/dbraw/zinc/09/90/50/557099050.db2.gz UTAHNUYMJQGRSP-UHFFFAOYSA-N 0 0 433.938 5.007 50 0 IKAARN Cc1cccc(Cl)c1NC(=O)CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000049403625 557099187 /nfs/dbraw/zinc/09/91/87/557099187.db2.gz SIPRWNRNLUWCGS-UHFFFAOYSA-N 0 0 445.350 5.170 50 0 IKAARN CC[C@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 ZINC000010918206 557099327 /nfs/dbraw/zinc/09/93/27/557099327.db2.gz AYDQSMDREHWACY-SFHVURJKSA-N 0 0 430.957 5.291 50 0 IKAARN Fc1cc(CSc2nnc(C3CCCCC3)o2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000023588212 557099837 /nfs/dbraw/zinc/09/98/37/557099837.db2.gz IFXMFKOASFENAN-JOCHJYFZSA-N 0 0 426.513 6.157 50 0 IKAARN Cc1nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(N2CCCCC2)n1 ZINC000033318578 557100196 /nfs/dbraw/zinc/10/01/96/557100196.db2.gz RALYUQCXAWQUDO-UHFFFAOYSA-N 0 0 436.947 5.816 50 0 IKAARN C[C@@H](C(=O)NCc1ccco1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407303 557101194 /nfs/dbraw/zinc/10/11/94/557101194.db2.gz SPLJQAYHSYNTQM-ZDUSSCGKSA-N 0 0 446.309 5.543 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC000085414322 557101520 /nfs/dbraw/zinc/10/15/20/557101520.db2.gz ZTSGQQIRBWBFEW-CQSZACIVSA-N 0 0 431.841 6.332 50 0 IKAARN COc1ccc(-c2nc(CSc3ncnc4sc(C)c(C)c43)cs2)cc1OC ZINC000023638290 557101765 /nfs/dbraw/zinc/10/17/65/557101765.db2.gz ZZZIUTJZYWZBHT-UHFFFAOYSA-N 0 0 429.592 5.741 50 0 IKAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C1CCCCC1 ZINC000033320673 557104176 /nfs/dbraw/zinc/10/41/76/557104176.db2.gz NEHSEGMQJHOFFW-UHFFFAOYSA-N 0 0 438.959 5.237 50 0 IKAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000033325050 557107172 /nfs/dbraw/zinc/10/71/72/557107172.db2.gz MLYDKRFAAIQLAB-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)cc1 ZINC000033325049 557107175 /nfs/dbraw/zinc/10/71/75/557107175.db2.gz DNTVNGNFHGIHOZ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1 ZINC000033325074 557107177 /nfs/dbraw/zinc/10/71/77/557107177.db2.gz QFYMETHKFZEDHT-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(NCc3ccccc3)c2c1 ZINC000049421529 557108160 /nfs/dbraw/zinc/10/81/60/557108160.db2.gz MGHJPBLBZNTYEZ-UHFFFAOYSA-N 0 0 432.545 5.251 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000033326697 557108664 /nfs/dbraw/zinc/10/86/64/557108664.db2.gz MAXRFSQPDAGRQC-UHFFFAOYSA-N 0 0 434.569 5.495 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033326747 557108729 /nfs/dbraw/zinc/10/87/29/557108729.db2.gz XBWVRLBSIVUQEH-UHFFFAOYSA-N 0 0 446.555 5.926 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1 ZINC000033326750 557108837 /nfs/dbraw/zinc/10/88/37/557108837.db2.gz FGOHNKULAAOJLP-UHFFFAOYSA-N 0 0 430.556 6.226 50 0 IKAARN CCc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)c1 ZINC000049422078 557108971 /nfs/dbraw/zinc/10/89/71/557108971.db2.gz DOTTVCPGUMIFGM-UHFFFAOYSA-N 0 0 444.579 5.655 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cn(Cc2ccc(NC(=O)C3CCCCC3)cc2)cn1 ZINC000049421858 557108986 /nfs/dbraw/zinc/10/89/86/557108986.db2.gz NGGBXOUDOBEFBD-UHFFFAOYSA-N 0 0 436.943 5.356 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cn(Cc2ccc(NC(=O)c3ccccc3F)cc2)cn1 ZINC000049422229 557109215 /nfs/dbraw/zinc/10/92/15/557109215.db2.gz ZXVWVHWMSYKXLU-UHFFFAOYSA-N 0 0 448.885 5.229 50 0 IKAARN COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)no1 ZINC000033327369 557109679 /nfs/dbraw/zinc/10/96/79/557109679.db2.gz VKJUGCLQRGHETF-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3nccnc3c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414676 557109896 /nfs/dbraw/zinc/10/98/96/557109896.db2.gz ZZAXFIVZIZMJCD-HSZRJFAPSA-N 0 0 437.503 5.015 50 0 IKAARN COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)c1 ZINC000033327384 557110013 /nfs/dbraw/zinc/11/00/13/557110013.db2.gz PUQYIVPOKQAKSQ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000409414367 557110091 /nfs/dbraw/zinc/11/00/91/557110091.db2.gz UNEHDYNVBCOTEX-QHCPKHFHSA-N 0 0 445.519 5.089 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)c(OC)c1 ZINC000409415635 557110351 /nfs/dbraw/zinc/11/03/51/557110351.db2.gz UWBLUBHBHNDNOH-HXUWFJFHSA-N 0 0 430.479 5.320 50 0 IKAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)no2)c1 ZINC000033327699 557110626 /nfs/dbraw/zinc/11/06/26/557110626.db2.gz WNKHSFAWXKEZOE-UHFFFAOYSA-N 0 0 445.350 5.203 50 0 IKAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCC[C@@H]1c1cccs1 ZINC000014707359 557111985 /nfs/dbraw/zinc/11/19/85/557111985.db2.gz WGTHSTGDHBDKJZ-LJQANCHMSA-N 0 0 446.981 5.180 50 0 IKAARN CCCCc1nc(-n2cccc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000049546974 557112179 /nfs/dbraw/zinc/11/21/79/557112179.db2.gz NXJVHZRNELRHNC-UHFFFAOYSA-N 0 0 444.000 5.054 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328777 557112357 /nfs/dbraw/zinc/11/23/57/557112357.db2.gz NMUKULMNYAYMSY-UHFFFAOYSA-N 0 0 439.500 5.793 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033328838 557112402 /nfs/dbraw/zinc/11/24/02/557112402.db2.gz GTBQVJOBCFGKDH-UHFFFAOYSA-N 0 0 443.532 5.392 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328899 557112646 /nfs/dbraw/zinc/11/26/46/557112646.db2.gz YMMARFFSNMTABC-UHFFFAOYSA-N 0 0 449.923 5.230 50 0 IKAARN CCOc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3C)ccc1OCc1ccccc1F ZINC000049550407 557113293 /nfs/dbraw/zinc/11/32/93/557113293.db2.gz MHQOABGVDFCYDT-JOCHJYFZSA-N 0 0 441.528 5.270 50 0 IKAARN COc1ccccc1-c1nnc(SC[C@H](O)c2ccccc2)n1CCc1ccccc1 ZINC000011366742 557114327 /nfs/dbraw/zinc/11/43/27/557114327.db2.gz PWCHBVYFPMECSM-QFIPXVFZSA-N 0 0 431.561 5.022 50 0 IKAARN COc1ccc([C@H](C)Nc2nc3c(C)cccc3cc2-c2noc(C(C)C)n2)cc1OC ZINC000033331570 557115256 /nfs/dbraw/zinc/11/52/56/557115256.db2.gz BLSXGTMEIXAOIV-INIZCTEOSA-N 0 0 432.524 5.907 50 0 IKAARN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629724 557115853 /nfs/dbraw/zinc/11/58/53/557115853.db2.gz GXQWYGAPVUILRW-MUUNZHRXSA-N 0 0 442.603 5.888 50 0 IKAARN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629701 557115889 /nfs/dbraw/zinc/11/58/89/557115889.db2.gz VRRGQMAVRWTYGJ-MHZLTWQESA-N 0 0 428.576 5.498 50 0 IKAARN CC(C)(C)c1ccc(Cn2cc(-c3cnn(Cc4ccc(C(C)(C)C)cc4)c3)cn2)cc1 ZINC000049581202 557116251 /nfs/dbraw/zinc/11/62/51/557116251.db2.gz INGKPNZKPQXOSP-UHFFFAOYSA-N 0 0 426.608 6.438 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000033331919 557116272 /nfs/dbraw/zinc/11/62/72/557116272.db2.gz AXFRDEKCIGMRQI-XPZJUZDRSA-N 0 0 447.579 5.472 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)o2)cc1 ZINC000049590318 557116980 /nfs/dbraw/zinc/11/69/80/557116980.db2.gz DEQXBSZPIMFRNR-DEOSSOPVSA-N 0 0 449.510 5.739 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 ZINC000049655127 557117281 /nfs/dbraw/zinc/11/72/81/557117281.db2.gz PZJSOJXSJGBDPL-XMMPIXPASA-N 0 0 431.561 5.425 50 0 IKAARN NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000033332358 557117632 /nfs/dbraw/zinc/11/76/32/557117632.db2.gz AMWHDMPMCGEUTH-QJOMJCCJSA-N 0 0 438.552 5.617 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)/C(=C\c3ccccc3)c3ccccc3)n2)c1 ZINC000033332384 557117646 /nfs/dbraw/zinc/11/76/46/557117646.db2.gz LMLFTXSMZIAGPC-QNGOZBTKSA-N 0 0 442.540 6.007 50 0 IKAARN CC(C)(C)Oc1ccc(C[C@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000001044434 557118311 /nfs/dbraw/zinc/11/83/11/557118311.db2.gz OCTLGTZNAJNVHZ-HXUWFJFHSA-N 0 0 445.559 5.306 50 0 IKAARN CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3cccc(F)c3)NC2=S)cc1 ZINC000033334321 557118616 /nfs/dbraw/zinc/11/86/16/557118616.db2.gz WVDCQALSHVWTCF-PXLXIMEGSA-N 0 0 448.519 5.066 50 0 IKAARN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)Nc4ccc(Br)cc43)o2)cc1 ZINC000033334344 557118647 /nfs/dbraw/zinc/11/86/47/557118647.db2.gz PQUAXBXFGYTWLZ-LDADJPATSA-N 0 0 438.277 5.379 50 0 IKAARN O=C(Nc1ccccc1I)c1ccc(OCc2ccccc2)cc1 ZINC000001146693 557119300 /nfs/dbraw/zinc/11/93/00/557119300.db2.gz MVGXYSIUHSLGBP-UHFFFAOYSA-N 0 0 429.257 5.123 50 0 IKAARN COc1ccc(-c2cn3c(CCC(=O)Nc4nc5ccccc5s4)csc3n2)cc1 ZINC000023234431 557119544 /nfs/dbraw/zinc/11/95/44/557119544.db2.gz SMQMUTQVPRAIER-UHFFFAOYSA-N 0 0 434.546 5.252 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000001163890 557119597 /nfs/dbraw/zinc/11/95/97/557119597.db2.gz UMGISNJCVZPSLJ-UHFFFAOYSA-N 0 0 449.388 6.421 50 0 aggregator IKAARN O=C(Nc1ccccc1I)c1cccc(OCc2ccccc2)c1 ZINC000001167686 557119732 /nfs/dbraw/zinc/11/97/32/557119732.db2.gz UUPLRGHKMWDEMO-UHFFFAOYSA-N 0 0 429.257 5.123 50 0 IKAARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004786718 557119996 /nfs/dbraw/zinc/11/99/96/557119996.db2.gz CNJFXVRRFAVQSB-HSZRJFAPSA-N 0 0 444.922 5.626 50 0 IKAARN COc1cccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004786713 557120029 /nfs/dbraw/zinc/12/00/29/557120029.db2.gz CNJFXVRRFAVQSB-QHCPKHFHSA-N 0 0 444.922 5.626 50 0 IKAARN Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2scc(-c3ccccn3)n21 ZINC000004789239 557120271 /nfs/dbraw/zinc/12/02/71/557120271.db2.gz DRNOYXXVSQOJJW-UHFFFAOYSA-N 0 0 425.561 6.243 50 0 IKAARN CCSc1nnc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)s1 ZINC000023235693 557120281 /nfs/dbraw/zinc/12/02/81/557120281.db2.gz NKZBAMRVRWWGQY-UHFFFAOYSA-N 0 0 445.517 5.050 50 0 IKAARN COc1c2cc(NC(=O)c3n[nH]c4ccccc43)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000085823360 557120411 /nfs/dbraw/zinc/12/04/11/557120411.db2.gz LBHMGISRIOMDIQ-UHFFFAOYSA-N 0 0 440.459 5.131 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000001206197 557120495 /nfs/dbraw/zinc/12/04/95/557120495.db2.gz DRELUPFLXXDYEO-UHFFFAOYSA-N 0 0 430.504 5.260 50 0 IKAARN CCOc1ccc2nc(NC(=O)Cc3csc(Nc4ccc(F)cc4)n3)sc2c1 ZINC000023236066 557120647 /nfs/dbraw/zinc/12/06/47/557120647.db2.gz UXOJMCVPZUNPJZ-UHFFFAOYSA-N 0 0 428.514 5.215 50 0 IKAARN Cc1cc(C)c(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000008687354 557120925 /nfs/dbraw/zinc/12/09/25/557120925.db2.gz GMUWTCFDEBOQKF-KRWDZBQOSA-N 0 0 444.815 5.025 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(OC)cc1Cl ZINC000001095244 557121101 /nfs/dbraw/zinc/12/11/01/557121101.db2.gz KGZGAUWUWFYVNC-UHFFFAOYSA-N 0 0 426.683 6.176 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1Cl ZINC000001118761 557121263 /nfs/dbraw/zinc/12/12/63/557121263.db2.gz KSEGVYSUMPASPK-UHFFFAOYSA-N 0 0 429.685 5.212 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn(CCCc3ccccc3)c(=O)c12 ZINC000008717615 557121281 /nfs/dbraw/zinc/12/12/81/557121281.db2.gz RQNOEOZCVNLVQV-UHFFFAOYSA-N 0 0 431.561 5.268 50 0 IKAARN CCn1c2ccccc2c2nnc(SCc3csc(-c4ccc(OC)cc4)n3)nc21 ZINC000023870562 557121491 /nfs/dbraw/zinc/12/14/91/557121491.db2.gz SGPSAZJRAYEVEB-UHFFFAOYSA-N 0 0 433.562 5.424 50 0 IKAARN CC(=O)Nc1ccc2nc(NC(=O)c3cccc4c(Br)cccc34)sc2c1 ZINC000001123390 557121622 /nfs/dbraw/zinc/12/16/22/557121622.db2.gz BZSXQHYCBVINLH-UHFFFAOYSA-N 0 0 440.322 5.423 50 0 IKAARN CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C1=O)CCC2 ZINC000098086358 557121865 /nfs/dbraw/zinc/12/18/65/557121865.db2.gz CAJVUXYDKKGZTH-RGVLZGJSSA-N 0 0 448.371 6.117 50 0 IKAARN O=C(Nc1cnn(C(F)F)c1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000095944916 557122784 /nfs/dbraw/zinc/12/27/84/557122784.db2.gz OVLUZXDAKRADPG-UHFFFAOYSA-N 0 0 425.222 5.090 50 0 IKAARN CC(C)c1ccc(/C=C2\SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 ZINC000033347543 557123017 /nfs/dbraw/zinc/12/30/17/557123017.db2.gz OITZUFCQFINJSE-ZDLGFXPLSA-N 0 0 431.355 5.678 50 0 IKAARN Cc1ccc(SCc2ccc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)cc2)cc1 ZINC000000645200 557124570 /nfs/dbraw/zinc/12/45/70/557124570.db2.gz CXRJARWHLJXYOW-UHFFFAOYSA-N 0 0 443.524 6.352 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000004790985 557124717 /nfs/dbraw/zinc/12/47/17/557124717.db2.gz LHGOYNUKJIOHSH-UHFFFAOYSA-N 0 0 437.902 5.898 50 0 IKAARN CCOc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc(OCC)c1OCC ZINC000004790878 557124854 /nfs/dbraw/zinc/12/48/54/557124854.db2.gz ZCAOSGRHAVVLMT-UHFFFAOYSA-N 0 0 445.519 5.450 50 0 IKAARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccc(OC)cc2)c1 ZINC000606422377 557125147 /nfs/dbraw/zinc/12/51/47/557125147.db2.gz SNBJZHQSMAGBSU-UHFFFAOYSA-N 0 0 441.531 5.267 50 0 IKAARN Cn1cc([C@@H]2[C@H](C(=O)NCCC3=CCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792499 557125776 /nfs/dbraw/zinc/12/57/76/557125776.db2.gz GEGIKXILYSZTES-CLJLJLNGSA-N 0 0 441.575 5.096 50 0 IKAARN Cn1cc([C@H]2[C@@H](C(=O)NCCC3=CCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792525 557125808 /nfs/dbraw/zinc/12/58/08/557125808.db2.gz GEGIKXILYSZTES-UIOOFZCWSA-N 0 0 441.575 5.096 50 0 IKAARN O=C(Nc1ccn(Cc2ccccc2F)n1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000000651014 557125927 /nfs/dbraw/zinc/12/59/27/557125927.db2.gz LVPUFSNKGVDWAQ-UHFFFAOYSA-N 0 0 435.886 5.555 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000006722875 557126272 /nfs/dbraw/zinc/12/62/72/557126272.db2.gz AYYAOUWDJVZMGP-INIZCTEOSA-N 0 0 427.976 5.195 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc3ccccc3n1)C[C@@H](C)CC2 ZINC000006159089 557126784 /nfs/dbraw/zinc/12/67/84/557126784.db2.gz VXKGDTCHBXUYQU-AWEZNQCLSA-N 0 0 440.590 5.329 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002052188 557127523 /nfs/dbraw/zinc/12/75/23/557127523.db2.gz FWRNUSSEMPYOMV-UHFFFAOYSA-N 0 0 448.897 6.004 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(OC)cc1Cl ZINC000002199271 557128265 /nfs/dbraw/zinc/12/82/65/557128265.db2.gz NNXJRVXCKCCKEQ-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN Brc1cccc(-c2noc(CN3CCC[C@H]3c3nc4ccccc4s3)n2)c1 ZINC000023968710 557128704 /nfs/dbraw/zinc/12/87/04/557128704.db2.gz MOXDAEAERKMGSV-INIZCTEOSA-N 0 0 441.354 5.446 50 0 IKAARN Cc1ccc(Nc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)s2)c(C)c1 ZINC000023968665 557128736 /nfs/dbraw/zinc/12/87/36/557128736.db2.gz YEOXZJGKSGLNQL-UHFFFAOYSA-N 0 0 429.958 5.894 50 0 IKAARN Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000017921202 557128960 /nfs/dbraw/zinc/12/89/60/557128960.db2.gz ODXMXNAZUSNTCA-UWJYYQICSA-N 0 0 429.586 5.533 50 0 IKAARN CCn1cc([C@@H](C)NC(=O)c2ccc(COc3ccccc3Br)cc2)c(C)n1 ZINC000000652886 557129329 /nfs/dbraw/zinc/12/93/29/557129329.db2.gz JKGTYDCEROUVBS-OAHLLOKOSA-N 0 0 442.357 5.044 50 0 IKAARN CN1CCc2nc3ccccc3c(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000023983714 557129681 /nfs/dbraw/zinc/12/96/81/557129681.db2.gz YNEOHEUAPCGKDK-HHHXNRCGSA-N 0 0 436.511 5.004 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 ZINC000102681687 557129794 /nfs/dbraw/zinc/12/97/94/557129794.db2.gz ZCLHYOSGLYGZBR-ADLFWFRXSA-N 0 0 444.457 5.157 50 0 IKAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000011379100 557129811 /nfs/dbraw/zinc/12/98/11/557129811.db2.gz YBMBEQGVMRIHAY-XMMPIXPASA-N 0 0 431.879 5.115 50 0 IKAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000103117597 557130095 /nfs/dbraw/zinc/13/00/95/557130095.db2.gz GWQANDHBBDBMJY-CGWFDZAZSA-N 0 0 433.507 5.012 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)ccc4OC)sc3n2)c1 ZINC000000661235 557130867 /nfs/dbraw/zinc/13/08/67/557130867.db2.gz FPWRLJJEECPTML-UHFFFAOYSA-N 0 0 439.924 5.468 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(F)(F)F)cc4)sc3n2)c1 ZINC000000661231 557130925 /nfs/dbraw/zinc/13/09/25/557130925.db2.gz YKCBEPSXCIDEAI-UHFFFAOYSA-N 0 0 443.450 5.825 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)c(C)c4)c(N)c3cc2C1 ZINC000000661752 557131102 /nfs/dbraw/zinc/13/11/02/557131102.db2.gz JBPZEZZFJSPMSI-LBPRGKRZSA-N 0 0 444.398 5.717 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C)cc4Br)c(N)c3cc2C1 ZINC000000661728 557131149 /nfs/dbraw/zinc/13/11/49/557131149.db2.gz TWSMYWXALBZPGU-LBPRGKRZSA-N 0 0 444.398 5.717 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc5c(c4)OCO5)sc3n2)o1 ZINC000000663831 557131463 /nfs/dbraw/zinc/13/14/63/557131463.db2.gz LZDURGGOVHJTGF-UHFFFAOYSA-N 0 0 446.406 5.425 50 0 IKAARN COCc1c2ccccc2oc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024729641 557131516 /nfs/dbraw/zinc/13/15/16/557131516.db2.gz SABBPWSSGFKVKU-QFIPXVFZSA-N 0 0 425.488 5.169 50 0 IKAARN O=C(c1cc(Br)ccc1F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000024002996 557131544 /nfs/dbraw/zinc/13/15/44/557131544.db2.gz QCXWPHUZAMJXSZ-ZDUSSCGKSA-N 0 0 435.318 5.024 50 0 IKAARN CCOC(=O)CC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)CC1 ZINC000024745550 557132901 /nfs/dbraw/zinc/13/29/01/557132901.db2.gz MHNSCHAJVLAEGC-UHFFFAOYSA-N 0 0 430.548 5.324 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 ZINC000000674376 557133247 /nfs/dbraw/zinc/13/32/47/557133247.db2.gz BTCGYLHYQQRGFT-SJORKVTESA-N 0 0 448.876 5.435 50 0 IKAARN CSc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000673908 557133370 /nfs/dbraw/zinc/13/33/70/557133370.db2.gz MEDGTNVTZGDPBK-MAUKXSAKSA-N 0 0 432.471 5.518 50 0 IKAARN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccccc1I ZINC000002860456 557133383 /nfs/dbraw/zinc/13/33/83/557133383.db2.gz SSKBPDBDESNPMK-UHFFFAOYSA-N 0 0 449.100 5.460 50 0 IKAARN CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000673913 557133476 /nfs/dbraw/zinc/13/34/76/557133476.db2.gz MEDGTNVTZGDPBK-YJBOKZPZSA-N 0 0 432.471 5.518 50 0 IKAARN O=C(NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000000674982 557133508 /nfs/dbraw/zinc/13/35/08/557133508.db2.gz VVYCOCZXWXVGDJ-SJLPKXTDSA-N 0 0 434.849 5.127 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000002861682 557133685 /nfs/dbraw/zinc/13/36/85/557133685.db2.gz LOWBCTBOTRLBKT-UHFFFAOYSA-N 0 0 429.166 6.840 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(Br)c1 ZINC000000675957 557133815 /nfs/dbraw/zinc/13/38/15/557133815.db2.gz NZPLKPACTANLJW-UHFFFAOYSA-N 0 0 449.146 5.017 50 0 IKAARN COc1cccc(OCc2ccc(C(=O)Nc3cc(OC)c(Cl)cc3OC)cc2)c1 ZINC000000676067 557133979 /nfs/dbraw/zinc/13/39/79/557133979.db2.gz RSROUTGBLRQURS-UHFFFAOYSA-N 0 0 427.884 5.197 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(I)cc1 ZINC000002959459 557134354 /nfs/dbraw/zinc/13/43/54/557134354.db2.gz LZPUOSFYYOVPAH-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN O=C(Oc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O)c1ccc(Cl)cc1Cl ZINC000002982027 557134376 /nfs/dbraw/zinc/13/43/76/557134376.db2.gz HKARMLNKJNMKRD-XDHOZWIPSA-N 0 0 438.266 5.557 50 0 IKAARN O=C(Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1Cl ZINC000002982958 557134709 /nfs/dbraw/zinc/13/47/09/557134709.db2.gz CMHMFSHOVPXSNV-UHFFFAOYSA-N 0 0 440.930 6.363 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)Oc3ccc4c(Br)cccc4c3)ccc2c1 ZINC000090548367 557134894 /nfs/dbraw/zinc/13/48/94/557134894.db2.gz IEVYZTREZUZVFL-HNNXBMFYSA-N 0 0 435.317 6.473 50 0 IKAARN COc1ccc2cc([C@@H](C)C(=O)Oc3ccc4c(Br)cccc4c3)ccc2c1 ZINC000090548368 557134920 /nfs/dbraw/zinc/13/49/20/557134920.db2.gz IEVYZTREZUZVFL-OAHLLOKOSA-N 0 0 435.317 6.473 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1I ZINC000002998121 557134874 /nfs/dbraw/zinc/13/48/74/557134874.db2.gz PVJSWJSYPNIGMB-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCC1CCCCC1 ZINC000024759729 557135242 /nfs/dbraw/zinc/13/52/42/557135242.db2.gz PWHYPMPQEICKBE-UHFFFAOYSA-N 0 0 434.989 5.748 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000004811567 557136552 /nfs/dbraw/zinc/13/65/52/557136552.db2.gz RJJBNZOLYQZPJQ-QDOUGYSPSA-N 0 0 429.541 5.825 50 0 IKAARN O=C(Nc1cccc2ccccc21)N1CCS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000000691634 557136745 /nfs/dbraw/zinc/13/67/45/557136745.db2.gz NMBNYCIPOYPVPX-RUZDIDTESA-N 0 0 426.541 6.912 50 0 IKAARN CC(C)COc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000000693299 557136828 /nfs/dbraw/zinc/13/68/28/557136828.db2.gz VEJJTDBXDHALAC-UHFFFAOYSA-N 0 0 446.473 5.582 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OCC(C)C)nc3-c3ccccc3F)cc2)cc1 ZINC000000693493 557137104 /nfs/dbraw/zinc/13/71/04/557137104.db2.gz DBRUYIYPHQSEQI-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(-n2nc(OC)nc2-c2ccc(C)cc2)cc1)c1ccccc1 ZINC000000693433 557137108 /nfs/dbraw/zinc/13/71/08/557137108.db2.gz KOVIEAGEFKRXHU-QHCPKHFHSA-N 0 0 426.520 5.384 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC3)n2-c2ccccc2Cl)cc1 ZINC000024774091 557137729 /nfs/dbraw/zinc/13/77/29/557137729.db2.gz CXEHAGNUBXKEMK-UHFFFAOYSA-N 0 0 441.000 5.210 50 0 IKAARN Cc1cc2oc(=O)cc(CSc3nnc4ccc(C(F)(F)F)cn43)c2cc1C(C)C ZINC000024142186 557138607 /nfs/dbraw/zinc/13/86/07/557138607.db2.gz XFNJZFWVBJJUJU-UHFFFAOYSA-N 0 0 433.455 5.579 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000006305279 557140685 /nfs/dbraw/zinc/14/06/85/557140685.db2.gz PXKKFQINLWEEIR-UHFFFAOYSA-N 0 0 428.960 5.137 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109781 557141305 /nfs/dbraw/zinc/14/13/05/557141305.db2.gz GBRMSGMKHDKXEE-UHFFFAOYSA-N 0 0 433.257 5.873 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c(Cl)c1 ZINC000009310987 557142848 /nfs/dbraw/zinc/14/28/48/557142848.db2.gz JPGWIEFVJMRKKX-AOYPEHQESA-N 0 0 445.349 7.389 50 0 IKAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2coc(-c3ccccc3)n2)c1 ZINC000024282638 557143399 /nfs/dbraw/zinc/14/33/99/557143399.db2.gz PXMWTTQPIIXBCN-UHFFFAOYSA-N 0 0 441.512 5.342 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(CNc3ccc(NC(C)=O)c(Cl)c3)nc(=O)c12 ZINC000010944461 557144807 /nfs/dbraw/zinc/14/48/07/557144807.db2.gz GQXUXCABJVEKHR-NSHDSACASA-N 0 0 432.977 5.106 50 0 IKAARN Cc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)ccc12 ZINC000011426266 557146213 /nfs/dbraw/zinc/14/62/13/557146213.db2.gz GXDYNLMGUCEQAA-UHFFFAOYSA-N 0 0 444.270 5.601 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000024395973 557146225 /nfs/dbraw/zinc/14/62/25/557146225.db2.gz OSEGLUWIQAMSML-UHFFFAOYSA-N 0 0 448.526 5.526 50 0 IKAARN CC[C@H](C)n1c(S[C@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 ZINC000011424519 557146262 /nfs/dbraw/zinc/14/62/62/557146262.db2.gz SBXNDTGFOCMKIO-LIRRHRJNSA-N 0 0 441.622 5.017 50 0 IKAARN CC(C)(C)NC(=O)CC1(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CCCC1 ZINC000024441309 557146949 /nfs/dbraw/zinc/14/69/49/557146949.db2.gz SDGBPLVTQRDYJI-QFIPXVFZSA-N 0 0 445.607 5.281 50 0 IKAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000024455717 557147315 /nfs/dbraw/zinc/14/73/15/557147315.db2.gz BIUMZULEJIRUPB-CYBMUJFWSA-N 0 0 437.754 6.454 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)[C@@H]1C ZINC000016247905 557147982 /nfs/dbraw/zinc/14/79/82/557147982.db2.gz BZRSUEVHRVRBST-WHSLLNHNSA-N 0 0 439.483 5.044 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)cc2)c1 ZINC000000716946 557147997 /nfs/dbraw/zinc/14/79/97/557147997.db2.gz DROWEFDSJWWLCA-OAHLLOKOSA-N 0 0 447.345 5.912 50 0 IKAARN O=C(Nc1ccccc1OC(F)(F)[C@H](F)C(F)(F)F)Nc1cccc2ccccc21 ZINC000000716907 557148075 /nfs/dbraw/zinc/14/80/75/557148075.db2.gz YZSBYYGLWUYEHG-QGZVFWFLSA-N 0 0 428.332 6.356 50 0 IKAARN CCCc1cc(=O)[nH]c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 ZINC000011443602 557148328 /nfs/dbraw/zinc/14/83/28/557148328.db2.gz XDSMJZZSDSPRHS-JTQLQIEISA-N 0 0 430.580 5.015 50 0 IKAARN C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1ccc(F)c(F)c1F ZINC000011443908 557148440 /nfs/dbraw/zinc/14/84/40/557148440.db2.gz YSLLYMXFSBBYCD-SSDOTTSWSA-N 0 0 431.794 5.295 50 0 IKAARN Nc1c(C(=O)NCCc2ccccc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000000717968 557148515 /nfs/dbraw/zinc/14/85/15/557148515.db2.gz DWVBMUSAKZVJMI-UHFFFAOYSA-N 0 0 441.478 5.537 50 0 IKAARN COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(F)c1 ZINC000000719073 557149182 /nfs/dbraw/zinc/14/91/82/557149182.db2.gz FSMWGIQATANHMQ-UHFFFAOYSA-N 0 0 430.273 5.428 50 0 IKAARN CCOC(=O)c1c(C)n(CCOc2c(C)cc(C)cc2C)c2c1cc(O)c1ccccc21 ZINC000000719874 557149545 /nfs/dbraw/zinc/14/95/45/557149545.db2.gz GZFRUJHDPZSBJG-UHFFFAOYSA-N 0 0 431.532 5.989 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000011455096 557150213 /nfs/dbraw/zinc/15/02/13/557150213.db2.gz XSBFOWUFNZKBFC-OAQYLSRUSA-N 0 0 430.976 5.258 50 0 IKAARN CCNC(=O)c1sc2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c2c1N ZINC000016393966 557151193 /nfs/dbraw/zinc/15/11/93/557151193.db2.gz SGFALCLUTDHTNW-UHFFFAOYSA-N 0 0 434.270 5.621 50 0 IKAARN CSCCNC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c1N ZINC000016425888 557151439 /nfs/dbraw/zinc/15/14/39/557151439.db2.gz MIOIKXVHFOTZOV-UHFFFAOYSA-N 0 0 445.919 5.311 50 0 IKAARN O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1SC(F)F ZINC000011461224 557151908 /nfs/dbraw/zinc/15/19/08/557151908.db2.gz QQQBKXJEMGIWNO-UHFFFAOYSA-N 0 0 429.444 5.169 50 0 IKAARN Cc1ccc([C@H](C)Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)o1 ZINC000024600937 557152507 /nfs/dbraw/zinc/15/25/07/557152507.db2.gz WCDMYJNBXRZYNN-HNNXBMFYSA-N 0 0 440.594 5.327 50 0 IKAARN COc1cc(OC)cc(C(=O)c2ccc(C(=O)Nc3cc(C(C)C)c(O)cc3C)cc2)c1 ZINC000000720474 557152740 /nfs/dbraw/zinc/15/27/40/557152740.db2.gz QWQFUQWGJUCFTC-UHFFFAOYSA-N 0 0 433.504 5.325 50 0 biogenic,in-vitro IKAARN CSc1ccccc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 ZINC000000720585 557152766 /nfs/dbraw/zinc/15/27/66/557152766.db2.gz UAWSRDSJVPKKIE-UHFFFAOYSA-N 0 0 434.855 5.252 50 0 IKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000095115698 557156423 /nfs/dbraw/zinc/15/64/23/557156423.db2.gz XJHIYPJJISFYQX-AVRWGWEMSA-N 0 0 432.951 5.916 50 0 IKAARN CCCCCN1c2ccccc2[C@]2(c3[nH]c4ccccc4c3C[C@H](C)N2C(=O)CC)C1=O ZINC000095115737 557156441 /nfs/dbraw/zinc/15/64/41/557156441.db2.gz RXMCCQKEPKHXNY-MYUZEXMDSA-N 0 0 429.564 5.132 50 0 IKAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000011513555 557156823 /nfs/dbraw/zinc/15/68/23/557156823.db2.gz BMNYBVPSBFJQKZ-UHFFFAOYSA-N 0 0 442.953 5.754 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)Cn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1 ZINC000011518793 557156827 /nfs/dbraw/zinc/15/68/27/557156827.db2.gz PYSQFTCEZQZFFD-UHFFFAOYSA-N 0 0 446.532 5.356 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1OC ZINC000000728061 557157069 /nfs/dbraw/zinc/15/70/69/557157069.db2.gz HRIHVLMRGDVVAR-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 biogenic IKAARN C[C@@H]1CCN(C(=O)CNc2ccccc2NC(=O)c2ccccc2)c2ccccc2S1 ZINC000024661625 557157997 /nfs/dbraw/zinc/15/79/97/557157997.db2.gz PVCRZGVBSIKESI-GOSISDBHSA-N 0 0 431.561 5.268 50 0 IKAARN O[C@]1(C(F)(F)F)CC(c2cccc3ccccc32)=NN1c1nc(-c2ccccc2)cs1 ZINC000016949295 557158333 /nfs/dbraw/zinc/15/83/33/557158333.db2.gz NSQHJCIXNPTTLI-QFIPXVFZSA-N 0 0 439.462 5.829 50 0 IKAARN Brc1nc2ccccc2n1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095535306 557158371 /nfs/dbraw/zinc/15/83/71/557158371.db2.gz YWAHLGPMWPKIOY-UHFFFAOYSA-N 0 0 439.356 6.639 50 0 IKAARN CCOC(=O)c1csc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000016956884 557158379 /nfs/dbraw/zinc/15/83/79/557158379.db2.gz HALKNDOFYAVTDV-LJQANCHMSA-N 0 0 446.359 5.982 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024683195 557158694 /nfs/dbraw/zinc/15/86/94/557158694.db2.gz PZNUGFUIHBTDHC-LBPRGKRZSA-N 0 0 444.862 5.068 50 0 IKAARN O[C@]1(C(F)(F)F)[C@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957566 557158841 /nfs/dbraw/zinc/15/88/41/557158841.db2.gz JEOQAKYOQCNWOA-KXBFYZLASA-N 0 0 435.858 5.111 50 0 IKAARN O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000024697618 557159001 /nfs/dbraw/zinc/15/90/01/557159001.db2.gz NGBDQFYTRSFTCB-UHFFFAOYSA-N 0 0 440.528 5.092 50 0 IKAARN Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@@H]4[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957573 557159184 /nfs/dbraw/zinc/15/91/84/557159184.db2.gz SNXRDYREUBKUGY-UWJYYQICSA-N 0 0 429.467 5.156 50 0 IKAARN CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H](CC[C@@]3(C)[C@@H]2CC[C@H]2Cc4c5ccccc5[nH]c4[C@@]23C)O1 ZINC000095630874 557159643 /nfs/dbraw/zinc/15/96/43/557159643.db2.gz SVYIMXYKHRBHSG-DGZZXUABSA-N 0 0 437.624 5.104 50 0 IKAARN Cc1ccccc1Nc1nnc(SCc2cc(=O)n3c4ccccc4sc3n2)s1 ZINC000024715723 557160441 /nfs/dbraw/zinc/16/04/41/557160441.db2.gz YLQAJOUZHKAVRR-UHFFFAOYSA-N 0 0 437.575 5.105 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3[C@H](C(=O)NCCC(C)C)[C@H]2c2ccsc2)cc1 ZINC000095929200 557161661 /nfs/dbraw/zinc/16/16/61/557161661.db2.gz VVOIPIOEQBNGNG-BJKOFHAPSA-N 0 0 448.588 5.404 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2CSc2nc(C)cs2)cc1OC(F)F ZINC000024748755 557161961 /nfs/dbraw/zinc/16/19/61/557161961.db2.gz UMUXRLDGOQAVKS-UHFFFAOYSA-N 0 0 436.505 5.606 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)c(Cl)c2)c2ccccc2)c1 ZINC000024749403 557162031 /nfs/dbraw/zinc/16/20/31/557162031.db2.gz MJPTWBWXTJAPOU-RUZDIDTESA-N 0 0 447.966 5.876 50 0 IKAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1cccc(Cl)c1Cl ZINC000024752049 557162623 /nfs/dbraw/zinc/16/26/23/557162623.db2.gz RTRKMDKCBMVUOA-UHFFFAOYSA-N 0 0 448.375 5.249 50 0 IKAARN CCOc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)ccc1OCc1ccccn1 ZINC000024751313 557162677 /nfs/dbraw/zinc/16/26/77/557162677.db2.gz WQSYCAZRPIMDFU-DEOSSOPVSA-N 0 0 438.955 5.840 50 0 IKAARN O=C(NCCc1cn2c(n1)CCCC2)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000024751633 557162681 /nfs/dbraw/zinc/16/26/81/557162681.db2.gz CVZXJQFANNSQNW-UHFFFAOYSA-N 0 0 448.617 5.094 50 0 IKAARN C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000072295515 557162734 /nfs/dbraw/zinc/16/27/34/557162734.db2.gz BGEAKLWCPWMSNI-SFHVURJKSA-N 0 0 441.556 5.896 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)C[C@@H](C)CC(C)(C)C)CC2 ZINC000023304462 557162989 /nfs/dbraw/zinc/16/29/89/557162989.db2.gz HSFQXAOTZDCGBN-CRICUBBOSA-N 0 0 444.015 6.294 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Br)cc2F)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024753632 557162984 /nfs/dbraw/zinc/16/29/84/557162984.db2.gz IVSKWDDKMOQMSN-UHFFFAOYSA-N 0 0 442.210 5.353 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)C[C@H](C)CC(C)(C)C)CC2 ZINC000023304464 557163023 /nfs/dbraw/zinc/16/30/23/557163023.db2.gz HSFQXAOTZDCGBN-SSOJOUAXSA-N 0 0 444.015 6.294 50 0 IKAARN Cc1cccc(Cc2cnc(NC(=O)CCc3nnc(-c4ccsc4)o3)s2)c1Cl ZINC000024759511 557163973 /nfs/dbraw/zinc/16/39/73/557163973.db2.gz PPJCURYYGWWECK-UHFFFAOYSA-N 0 0 444.969 5.379 50 0 IKAARN COc1ccc2oc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)c2c1 ZINC000024764361 557164953 /nfs/dbraw/zinc/16/49/53/557164953.db2.gz FOXGQIGYVLXEEV-UHFFFAOYSA-N 0 0 440.543 5.297 50 0 IKAARN O=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000732301 557165770 /nfs/dbraw/zinc/16/57/70/557165770.db2.gz WBRZTAVIJBQQNV-UHFFFAOYSA-N 0 0 429.335 5.163 50 0 IKAARN CCn1c(COc2cccc3cccnc32)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000000730203 557165786 /nfs/dbraw/zinc/16/57/86/557165786.db2.gz FKFVXSZGBWKKIF-UHFFFAOYSA-N 0 0 438.940 5.054 50 0 IKAARN Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)o2)cc1 ZINC000024831959 557165981 /nfs/dbraw/zinc/16/59/81/557165981.db2.gz QJVUUQNAGFLZTQ-UHFFFAOYSA-N 0 0 442.519 5.404 50 0 IKAARN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)Nc2ccccc2C)c(C)c1 ZINC000000739105 557166083 /nfs/dbraw/zinc/16/60/83/557166083.db2.gz NJVNYJNMKRXWEG-UHFFFAOYSA-N 0 0 447.583 5.197 50 0 IKAARN CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003154722 557166747 /nfs/dbraw/zinc/16/67/47/557166747.db2.gz WBIROPODPDTISW-HSZRJFAPSA-N 0 0 447.556 7.364 50 0 biogenic IKAARN CCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1OCc1ccccn1 ZINC000024775119 557166702 /nfs/dbraw/zinc/16/67/02/557166702.db2.gz SAJSRJPLOVVDRX-UHFFFAOYSA-N 0 0 447.535 5.296 50 0 IKAARN CC(C)c1ccc(-c2nc(C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC000024777512 557167078 /nfs/dbraw/zinc/16/70/78/557167078.db2.gz WPGAHAPEZQARLR-INIZCTEOSA-N 0 0 442.606 5.170 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S ZINC000024778811 557167381 /nfs/dbraw/zinc/16/73/81/557167381.db2.gz RLGOJUQRUJHSNJ-UHFFFAOYSA-N 0 0 446.580 5.056 50 0 IKAARN O=C(CN(CC1CC1)C(=O)Nc1ccccc1)N(Cc1cccs1)Cc1ccccc1 ZINC000000742816 557167653 /nfs/dbraw/zinc/16/76/53/557167653.db2.gz UJWGJGYECQGRNG-UHFFFAOYSA-N 0 0 433.577 5.221 50 0 IKAARN CC1(C)Cc2oc3c(cc(NS(=O)(=O)c4ccccc4)cc3Br)c2C(=O)C1 ZINC000000752701 557168232 /nfs/dbraw/zinc/16/82/32/557168232.db2.gz IFWIOPLERUOKRU-UHFFFAOYSA-N 0 0 448.338 5.151 50 0 IKAARN O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Br)cc1 ZINC000000754194 557168612 /nfs/dbraw/zinc/16/86/12/557168612.db2.gz HCJBFHKOSFEJOL-UHFFFAOYSA-N 0 0 433.309 5.013 50 0 IKAARN O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)c1ccc(-c2cccs2)cc1 ZINC000206985899 557168839 /nfs/dbraw/zinc/16/88/39/557168839.db2.gz ABSJHQFDMSTATD-UHFFFAOYSA-N 0 0 446.601 5.332 50 0 IKAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3c(C)cccc3C(C)C)[nH]c(=O)c2c1C ZINC000014739234 557169178 /nfs/dbraw/zinc/16/91/78/557169178.db2.gz XUQUGKRULVGEPL-OAHLLOKOSA-N 0 0 429.611 5.294 50 0 IKAARN Cc1cccc(Oc2ccccc2N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000024829067 557169710 /nfs/dbraw/zinc/16/97/10/557169710.db2.gz IRAFOLKUMMJQPR-HXUWFJFHSA-N 0 0 431.536 5.063 50 0 IKAARN CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Br)cc3)c1-2 ZINC000018011226 557169893 /nfs/dbraw/zinc/16/98/93/557169893.db2.gz HLNOHYPKLPEAPV-QOCHGBHMSA-N 0 0 447.423 6.531 50 0 IKAARN COc1ccc(-c2nc(COC(=O)Cc3c(Cl)cccc3Cl)cs2)c(OC)c1 ZINC000024829962 557170029 /nfs/dbraw/zinc/17/00/29/557170029.db2.gz ROPPIWWGIYVZRH-UHFFFAOYSA-N 0 0 438.332 5.420 50 0 IKAARN Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000000756894 557170269 /nfs/dbraw/zinc/17/02/69/557170269.db2.gz KKISOWQVDFQKKG-UHFFFAOYSA-N 0 0 437.366 5.443 50 0 IKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3nc3c2CCCC3)o1 ZINC000000756797 557170325 /nfs/dbraw/zinc/17/03/25/557170325.db2.gz NSZBKZMWYYNXFX-UHFFFAOYSA-N 0 0 437.952 6.231 50 0 IKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4cc(C)ccc4C)sc3nc3c2CCCC3)o1 ZINC000000756801 557170421 /nfs/dbraw/zinc/17/04/21/557170421.db2.gz XGSSJTLFEDWWSI-UHFFFAOYSA-N 0 0 431.561 6.195 50 0 IKAARN Clc1ccc2c(c1)nc(CSc1nnc(-c3ccccc3)o1)n2Cc1ccccc1 ZINC000024831364 557170566 /nfs/dbraw/zinc/17/05/66/557170566.db2.gz VYFSHVAFBSFCHW-UHFFFAOYSA-N 0 0 432.936 6.080 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 ZINC000024831874 557170578 /nfs/dbraw/zinc/17/05/78/557170578.db2.gz OSFNWICCEFKZLS-MRXNPFEDSA-N 0 0 434.569 5.642 50 0 IKAARN O=C(N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1)C1(c2cccs2)CCCC1 ZINC000207016071 557170670 /nfs/dbraw/zinc/17/06/70/557170670.db2.gz JLGWUQOJCUTZGE-MRXNPFEDSA-N 0 0 427.595 5.153 50 0 IKAARN C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(F)cc1F ZINC000024831532 557170697 /nfs/dbraw/zinc/17/06/97/557170697.db2.gz XVJLARYHOWOKBJ-LLVKDONJSA-N 0 0 431.895 5.434 50 0 IKAARN O=C(N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1)C1(c2cccs2)CCCC1 ZINC000207016114 557170756 /nfs/dbraw/zinc/17/07/56/557170756.db2.gz JLGWUQOJCUTZGE-INIZCTEOSA-N 0 0 427.595 5.153 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000024832003 557170891 /nfs/dbraw/zinc/17/08/91/557170891.db2.gz UBLCTZDSIRGNGL-UHFFFAOYSA-N 0 0 445.544 5.343 50 0 IKAARN Clc1ccc(-c2nnc(SCc3nc(-c4ccco4)no3)n2-c2ccccc2)cc1 ZINC000024833757 557171589 /nfs/dbraw/zinc/17/15/89/557171589.db2.gz IRIBIXYRSHXGKM-UHFFFAOYSA-N 0 0 435.896 5.523 50 0 IKAARN CCSc1ccccc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024836067 557172317 /nfs/dbraw/zinc/17/23/17/557172317.db2.gz XYAZBVXHZIGAPR-UHFFFAOYSA-N 0 0 441.597 5.019 50 0 IKAARN CCCN(C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1)C1=CCCCC1 ZINC000024842845 557173661 /nfs/dbraw/zinc/17/36/61/557173661.db2.gz SRWWQXNDKVIDDH-UHFFFAOYSA-N 0 0 447.608 5.177 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H](C)Oc1ccc(C)cc1)CC2 ZINC000024924039 557179435 /nfs/dbraw/zinc/17/94/35/557179435.db2.gz FRHRICKQKHAGBQ-BXKMTCNYSA-N 0 0 437.561 5.015 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000008986463 557179977 /nfs/dbraw/zinc/17/99/77/557179977.db2.gz MDJFMKYQDBAESM-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN COc1ccc2nc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2c1 ZINC000008969580 557180158 /nfs/dbraw/zinc/18/01/58/557180158.db2.gz NJMQLJAKUBZAGA-UHFFFAOYSA-N 0 0 428.469 5.331 50 0 IKAARN CC1=C[C@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000000783602 557180358 /nfs/dbraw/zinc/18/03/58/557180358.db2.gz WJBCXGNDJCUFGU-VQTJNVASSA-N 0 0 434.621 5.713 50 0 IKAARN O=C(CCOc1cccc2ccccc21)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024934730 557181133 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CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(C)cc1 ZINC000009262594 557184631 /nfs/dbraw/zinc/18/46/31/557184631.db2.gz WDLGQDYFJJWPNW-UHFFFAOYSA-N 0 0 435.380 5.136 50 0 IKAARN Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000024980286 557185224 /nfs/dbraw/zinc/18/52/24/557185224.db2.gz RVKZYFRPOQYKCY-UHFFFAOYSA-N 0 0 449.359 5.284 50 0 IKAARN CCn1c(SCc2ccccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000009306131 557186430 /nfs/dbraw/zinc/18/64/30/557186430.db2.gz OORXVTSEGYSPBH-LJQANCHMSA-N 0 0 428.989 5.371 50 0 IKAARN CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(Cl)cc1Cl ZINC000009328701 557187232 /nfs/dbraw/zinc/18/72/32/557187232.db2.gz DZLULRWHRQNRCA-UHFFFAOYSA-N 0 0 442.397 5.076 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cccc4ccccc43)n2)cc1Br ZINC000009345684 557187600 /nfs/dbraw/zinc/18/76/00/557187600.db2.gz UJORFXHECOSHKL-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN Cc1cc(C)n(-c2nc(OCC(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)n1 ZINC000000788033 557188205 /nfs/dbraw/zinc/18/82/05/557188205.db2.gz HKKILBMEDCWEFP-UHFFFAOYSA-N 0 0 440.429 5.085 50 0 IKAARN COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2ccccn2)cc1Cl ZINC000098001003 557188931 /nfs/dbraw/zinc/18/89/31/557188931.db2.gz ASSDDQKBOCBEIM-PDGQHHTCSA-N 0 0 441.965 5.482 50 0 IKAARN COc1ccc(-n2c(SCc3nc(C(C)C)no3)nnc2-c2ccccc2)cc1Cl ZINC000025044344 557190433 /nfs/dbraw/zinc/19/04/33/557190433.db2.gz CEGQSZCAMYYVLP-UHFFFAOYSA-N 0 0 441.944 5.395 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000025048336 557191014 /nfs/dbraw/zinc/19/10/14/557191014.db2.gz GJJMEUBJSKOGJO-UHFFFAOYSA-N 0 0 448.910 5.087 50 0 IKAARN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2sc(C)nc2-c2cc(C)sc2C)c1 ZINC000025050201 557191326 /nfs/dbraw/zinc/19/13/26/557191326.db2.gz UTVZRKLQVYCPBD-CYBMUJFWSA-N 0 0 430.595 5.234 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000025052914 557191717 /nfs/dbraw/zinc/19/17/17/557191717.db2.gz BXHYJWUWQCAHMD-MSOLQXFVSA-N 0 0 430.495 6.024 50 0 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/nfs/dbraw/zinc/19/45/11/557194511.db2.gz RCMNHBCOOZTGET-UHFFFAOYSA-N 0 0 425.532 5.026 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000072232604 557194808 /nfs/dbraw/zinc/19/48/08/557194808.db2.gz XJAUPAVSHOPCHG-CWVNLOTRSA-N 0 0 429.351 6.407 50 0 IKAARN CCN(CC)C(=O)COc1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)cc1Cl ZINC000025123822 557195877 /nfs/dbraw/zinc/19/58/77/557195877.db2.gz VBWXCXHKNPWWKK-UHFFFAOYSA-N 0 0 439.943 5.005 50 0 IKAARN CCOCCn1c2ccc(C)cc2sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000100873281 557196214 /nfs/dbraw/zinc/19/62/14/557196214.db2.gz BHNHDRCAJWJWPU-RQZHXJHFSA-N 0 0 430.573 5.307 50 0 IKAARN COc1ccc(-c2ccc(C(=O)N(C)Cc3cccc4ccccc43)s2)c(OC)c1OC ZINC000025146113 557196436 /nfs/dbraw/zinc/19/64/36/557196436.db2.gz XTJOMDSRDIECPE-UHFFFAOYSA-N 0 0 447.556 5.866 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1n[nH]c2ccccc21 ZINC000025139518 557196502 /nfs/dbraw/zinc/19/65/02/557196502.db2.gz MBUVPWVCJIEARO-UHFFFAOYSA-N 0 0 441.922 5.341 50 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/nfs/dbraw/zinc/20/06/47/557200647.db2.gz NKZMMSHXGCVYMW-UHFFFAOYSA-N 0 0 437.834 5.086 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Nc2cccc(Oc3ccccc3)c2)c2ccccc2)cc1Cl ZINC000072235953 557200901 /nfs/dbraw/zinc/20/09/01/557200901.db2.gz ZWLVBIWPAJOYRK-AREMUKBSSA-N 0 0 442.946 7.233 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 ZINC000025277571 557202435 /nfs/dbraw/zinc/20/24/35/557202435.db2.gz JLUSZDKZAFYOPF-UHFFFAOYSA-N 0 0 449.532 5.218 50 0 IKAARN O=C1C[C@@H](Sc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100933536 557202721 /nfs/dbraw/zinc/20/27/21/557202721.db2.gz OSFYLSHUWZASFG-CQSZACIVSA-N 0 0 431.138 5.180 50 0 IKAARN Cc1cc(Cl)ccc1Oc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000025286627 557202769 /nfs/dbraw/zinc/20/27/69/557202769.db2.gz GNMJEFDZGDXZRL-AWEZNQCLSA-N 0 0 444.000 5.402 50 0 IKAARN CC(C)c1nnc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)s1 ZINC000025323183 557203795 /nfs/dbraw/zinc/20/37/95/557203795.db2.gz VRLUMKGVCSVEAV-UHFFFAOYSA-N 0 0 443.576 5.020 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccc(C(=O)NC2CC2)c1 ZINC000025324176 557203804 /nfs/dbraw/zinc/20/38/04/557203804.db2.gz IHNZXTQZQGIQFU-UHFFFAOYSA-N 0 0 429.545 5.210 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C(C)C)s3)[C@@H]2c2cccs2)cc1 ZINC000025323892 557203923 /nfs/dbraw/zinc/20/39/23/557203923.db2.gz ZTZRDJVYJOUDGD-VQIMIIECSA-N 0 0 440.594 5.154 50 0 IKAARN CCCCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccccc32)cc1 ZINC000096837284 557205514 /nfs/dbraw/zinc/20/55/14/557205514.db2.gz OUYKHQJCBMOASG-UHFFFAOYSA-N 0 0 425.576 6.597 50 0 IKAARN CCn1c(C)cc(C(=O)COC(=O)c2ccccc2SCc2csc(C)n2)c1C ZINC000011596672 557206823 /nfs/dbraw/zinc/20/68/23/557206823.db2.gz HTEUHAOLYONVNB-UHFFFAOYSA-N 0 0 428.579 5.222 50 0 IKAARN COc1cc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)cc(OC)c1OC ZINC000011596845 557206844 /nfs/dbraw/zinc/20/68/44/557206844.db2.gz RMWORJOEGOOOAN-UHFFFAOYSA-N 0 0 448.494 5.571 50 0 IKAARN Cc1ccc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)cc1Cl ZINC000025391378 557207444 /nfs/dbraw/zinc/20/74/44/557207444.db2.gz OMLOQECUEXERBM-UHFFFAOYSA-N 0 0 441.962 6.007 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccccc1Cl ZINC000025392463 557207730 /nfs/dbraw/zinc/20/77/30/557207730.db2.gz DBSBIYKDYSNCJI-UHFFFAOYSA-N 0 0 445.346 6.183 50 0 IKAARN COc1ccc2c(c1)nc(SC(c1ccccc1)c1ccccc1)cc2-c1ccccc1 ZINC000025398276 557208074 /nfs/dbraw/zinc/20/80/74/557208074.db2.gz KSPBKSFJBYXCLI-UHFFFAOYSA-N 0 0 433.576 7.792 50 0 IKAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 ZINC000025397904 557208080 /nfs/dbraw/zinc/20/80/80/557208080.db2.gz ODIQJXAXQJSIBQ-UHFFFAOYSA-N 0 0 446.572 5.205 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000011614378 557208307 /nfs/dbraw/zinc/20/83/07/557208307.db2.gz GWRQYFZMQZNDOR-QHCPKHFHSA-N 0 0 444.487 5.245 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@@H]2[C@@H]1c1cccs1 ZINC000169620063 557208530 /nfs/dbraw/zinc/20/85/30/557208530.db2.gz VEDPLASXZAZMKR-VYSAHACMSA-N 0 0 439.631 6.257 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Nc1cccc(CO)c1)c1ccccc1 ZINC000025427104 557209301 /nfs/dbraw/zinc/20/93/01/557209301.db2.gz LHDKXCPWHQWNKG-HXUWFJFHSA-N 0 0 434.845 5.643 50 0 IKAARN O=C(CCc1nc2ccccc2s1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000025424933 557209378 /nfs/dbraw/zinc/20/93/78/557209378.db2.gz REZALJOKSKPCMB-UHFFFAOYSA-N 0 0 444.379 5.754 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000025432010 557209606 /nfs/dbraw/zinc/20/96/06/557209606.db2.gz UOOZHVSRYHYEMM-UHFFFAOYSA-N 0 0 449.458 5.279 50 0 IKAARN CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000011614566 557209591 /nfs/dbraw/zinc/20/95/91/557209591.db2.gz AUXOQMGCKYPVMW-JOCHJYFZSA-N 0 0 446.890 5.298 50 0 IKAARN CCCCCOC(=O)C1=C(C)NC2=CC(=O)CC(C)(C)C2[C@@H]1c1ccc(OC)cc1OC ZINC000100984707 557209808 /nfs/dbraw/zinc/20/98/08/557209808.db2.gz UURGOMRJROIRRR-HSZRJFAPSA-N 0 0 441.568 5.041 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000011614358 557210710 /nfs/dbraw/zinc/21/07/10/557210710.db2.gz PSUZDJJUKJINBF-NRFANRHFSA-N 0 0 432.451 5.276 50 0 IKAARN CN1c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766217 557211737 /nfs/dbraw/zinc/21/17/37/557211737.db2.gz NGGJUJARFYYOGK-RUZDIDTESA-N 0 0 441.531 5.523 50 0 IKAARN CCCCCOC(=O)C1=C(C)NC2=CC(=O)CC(C)(C)C2[C@@H]1c1ccc(OCC)cc1 ZINC000100992858 557211764 /nfs/dbraw/zinc/21/17/64/557211764.db2.gz KRXSBUDLHNLPOG-HSZRJFAPSA-N 0 0 425.569 5.423 50 0 IKAARN Cc1ccccc1-n1c(S[C@@H]2CCCCNC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000010990164 557211813 /nfs/dbraw/zinc/21/18/13/557211813.db2.gz AZRMGMMVNBUFDG-GOSISDBHSA-N 0 0 447.391 5.310 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1c(F)cccc1Cl ZINC000023312666 557212635 /nfs/dbraw/zinc/21/26/35/557212635.db2.gz MEMQYFCKJFHLDB-UPCLLVRISA-N 0 0 447.978 6.187 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc2ccccc2c1 ZINC000011617206 557212670 /nfs/dbraw/zinc/21/26/70/557212670.db2.gz UTLIIYFNBUCQPZ-UHFFFAOYSA-N 0 0 434.520 6.447 50 0 IKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cccc(Oc2ccccc2)c1 ZINC000011617249 557213022 /nfs/dbraw/zinc/21/30/22/557213022.db2.gz YXMFWQRURCYSQA-UHFFFAOYSA-N 0 0 441.339 7.162 50 0 IKAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 ZINC000060213911 557213055 /nfs/dbraw/zinc/21/30/55/557213055.db2.gz JTZDFBUWGSHBFX-UHFFFAOYSA-N 0 0 448.910 5.086 50 0 IKAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21 ZINC000060213894 557213084 /nfs/dbraw/zinc/21/30/84/557213084.db2.gz MHBRQHFICUHUJL-UHFFFAOYSA-N 0 0 440.912 5.432 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025558760 557214403 /nfs/dbraw/zinc/21/44/03/557214403.db2.gz ISSZIJHQYGATBM-UPVQGACJSA-N 0 0 449.348 6.090 50 0 IKAARN COc1ccc(-c2nc(CN3CCN(c4ccc(Cl)cn4)CC3)c(C)o2)c2ccccc12 ZINC000097272576 557214931 /nfs/dbraw/zinc/21/49/31/557214931.db2.gz DOLZOXSQCTZWMP-UHFFFAOYSA-N 0 0 448.954 5.182 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000025572840 557215320 /nfs/dbraw/zinc/21/53/20/557215320.db2.gz JTIQCFQQNRVMPY-FXAWDEMLSA-N 0 0 429.314 5.892 50 0 IKAARN Cc1ccc(NC(=O)OC[C@H](COc2ccccc2C)OC(=O)Nc2ccc(C)cc2)cc1 ZINC000025575078 557215327 /nfs/dbraw/zinc/21/53/27/557215327.db2.gz JXVVANZVQFXXMP-QHCPKHFHSA-N 0 0 448.519 5.857 50 0 IKAARN Clc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000025575456 557215341 /nfs/dbraw/zinc/21/53/41/557215341.db2.gz LJSOACZAHXWTPC-DHIUTWEWSA-N 0 0 447.325 5.798 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000025581525 557216342 /nfs/dbraw/zinc/21/63/42/557216342.db2.gz SPGXZPLSFHAKBE-ZJSXRUAMSA-N 0 0 448.906 5.378 50 0 IKAARN CCCC(=O)c1ccc(-c2ccc(OC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000025580715 557216425 /nfs/dbraw/zinc/21/64/25/557216425.db2.gz WBCQXWFNFFPJDA-UHFFFAOYSA-N 0 0 427.422 6.966 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000025581967 557216713 /nfs/dbraw/zinc/21/67/13/557216713.db2.gz GHKXUFSXILJKKG-ISKFKSNPSA-N 0 0 449.348 6.008 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1OC ZINC000025582558 557216912 /nfs/dbraw/zinc/21/69/12/557216912.db2.gz PXEZZSDQPQEYKI-GBXCKJPGSA-N 0 0 438.886 5.739 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000025582863 557216930 /nfs/dbraw/zinc/21/69/30/557216930.db2.gz WPDKSIHFDSWLRC-IFMALSPDSA-N 0 0 441.275 5.970 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1OC ZINC000025583057 557217009 /nfs/dbraw/zinc/21/70/09/557217009.db2.gz XTMUTWCHFWTFPY-FQRUVTKNSA-N 0 0 444.487 5.065 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc(OC)c1OC ZINC000025583273 557217359 /nfs/dbraw/zinc/21/73/59/557217359.db2.gz HWZPWUIKELGLAI-NBGIEHNGSA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025583354 557217402 /nfs/dbraw/zinc/21/74/02/557217402.db2.gz FQEXLYZAJNXJBL-NZQKXSOJSA-N 0 0 435.321 5.700 50 0 IKAARN Cc1nc(C)c(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)s1 ZINC000025587997 557217568 /nfs/dbraw/zinc/21/75/68/557217568.db2.gz JWOWJPRHWZOTAS-UHFFFAOYSA-N 0 0 434.631 5.396 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)CSC(c2ccccc2)c2ccccc2)cc1OC ZINC000025613786 557219535 /nfs/dbraw/zinc/21/95/35/557219535.db2.gz OZSITUPIGKHHJB-HSZRJFAPSA-N 0 0 447.600 5.890 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000247802075 557219754 /nfs/dbraw/zinc/21/97/54/557219754.db2.gz GLLIFOOPPYVDSS-PJSAGSTRSA-N 0 0 436.861 5.169 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000025668960 557221020 /nfs/dbraw/zinc/22/10/20/557221020.db2.gz WGUZYNJIEXVNSX-HXUWFJFHSA-N 0 0 448.548 5.026 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000010587027 557223399 /nfs/dbraw/zinc/22/33/99/557223399.db2.gz JRCKSCYHDROZOC-CQSZACIVSA-N 0 0 444.581 7.148 50 0 IKAARN O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000025733175 557223874 /nfs/dbraw/zinc/22/38/74/557223874.db2.gz FYYZQFDOFGSCIA-UHFFFAOYSA-N 0 0 431.542 5.041 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025748447 557224226 /nfs/dbraw/zinc/22/42/26/557224226.db2.gz PYDHVUMPFVBVEX-OAQYLSRUSA-N 0 0 429.608 5.738 50 0 IKAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Nc4ccc(F)c(Cl)c4)c23)C1 ZINC000025764423 557224774 /nfs/dbraw/zinc/22/47/74/557224774.db2.gz VCTGSGFPDZJRFC-CYBMUJFWSA-N 0 0 446.979 5.184 50 0 IKAARN Cc1c(C)c(C)c(CS(=O)(=O)CCC(=O)c2ccc(Br)cc2)c(C)c1C ZINC000025761673 557224846 /nfs/dbraw/zinc/22/48/46/557224846.db2.gz WUWZBQZSYABOLU-UHFFFAOYSA-N 0 0 437.399 5.179 50 0 IKAARN Brc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000101071678 557225201 /nfs/dbraw/zinc/22/52/01/557225201.db2.gz BHRLTXVQLNPKJL-QFIPXVFZSA-N 0 0 429.321 5.764 50 0 IKAARN COc1cccc(-c2nc(C(=O)N[C@@H](c3cccs3)c3ccccc3)cs2)c1OC ZINC000025775719 557225433 /nfs/dbraw/zinc/22/54/33/557225433.db2.gz XFTWIHOLXGIXGR-HXUWFJFHSA-N 0 0 436.558 5.408 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000025782592 557225731 /nfs/dbraw/zinc/22/57/31/557225731.db2.gz BTQABEHTWQHGQV-RBBKRZOGSA-N 0 0 431.269 6.514 50 0 IKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782881 557225807 /nfs/dbraw/zinc/22/58/07/557225807.db2.gz WWUJVYCIVPUKRG-DENIHFKCSA-N 0 0 447.724 7.028 50 0 IKAARN Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000025783753 557226157 /nfs/dbraw/zinc/22/61/57/557226157.db2.gz FQYHPBCXTOWINF-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)c1 ZINC000025783901 557226481 /nfs/dbraw/zinc/22/64/81/557226481.db2.gz DULQRBLQAKSTLV-LEWJYISDSA-N 0 0 436.899 5.345 50 0 IKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783929 557226504 /nfs/dbraw/zinc/22/65/04/557226504.db2.gz MTHWFNCRTHBAJG-XZOQPEGZSA-N 0 0 448.860 5.422 50 0 IKAARN COc1cccc(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)c1 ZINC000025784584 557226827 /nfs/dbraw/zinc/22/68/27/557226827.db2.gz ATVPPIFCUPCRNN-UHFFFAOYSA-N 0 0 438.578 5.004 50 0 IKAARN COc1ccccc1OCCn1c2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000000805569 557227891 /nfs/dbraw/zinc/22/78/91/557227891.db2.gz FUUZEPIQBUBFEK-UHFFFAOYSA-N 0 0 430.533 5.293 50 0 IKAARN C[C@@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000018026276 557228858 /nfs/dbraw/zinc/22/88/58/557228858.db2.gz MBVYBQLAAPEQAA-GFCCVEGCSA-N 0 0 436.867 5.010 50 0 IKAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 ZINC000018023916 557228874 /nfs/dbraw/zinc/22/88/74/557228874.db2.gz SEPGHCCRPAHPBO-ZLNRFVROSA-N 0 0 432.907 5.008 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000025869011 557229143 /nfs/dbraw/zinc/22/91/43/557229143.db2.gz TUUJJXLBOOVUJA-RBBKRZOGSA-N 0 0 445.788 6.552 50 0 IKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025899643 557229703 /nfs/dbraw/zinc/22/97/03/557229703.db2.gz ZJELGTUFRPLFTO-QHCPKHFHSA-N 0 0 436.964 5.316 50 0 IKAARN O=C(N[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccc(Cl)c(Cl)c1 ZINC000023318789 557231351 /nfs/dbraw/zinc/23/13/51/557231351.db2.gz RDQJQENHOVTAAN-LBPRGKRZSA-N 0 0 438.152 5.525 50 0 IKAARN COCCCn1c(=O)c2ccccc2nc1SCc1coc(-c2cccc(Cl)c2)n1 ZINC000026014396 557232175 /nfs/dbraw/zinc/23/21/75/557232175.db2.gz ZFGOWJOYVBEZCL-UHFFFAOYSA-N 0 0 441.940 5.034 50 0 IKAARN O=C(c1c(F)c(F)cc(F)c1F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023321109 557232202 /nfs/dbraw/zinc/23/22/02/557232202.db2.gz AYAKSSJGMYSHRD-UHFFFAOYSA-N 0 0 427.441 6.005 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCCC3=CCCCC3)cc2)cc1 ZINC000023321291 557232607 /nfs/dbraw/zinc/23/26/07/557232607.db2.gz MNECTTCWUPHMCG-UHFFFAOYSA-N 0 0 427.592 6.502 50 0 IKAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072848 557232997 /nfs/dbraw/zinc/23/29/97/557232997.db2.gz QRZCDLQVESZWJZ-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072868 557233181 /nfs/dbraw/zinc/23/31/81/557233181.db2.gz NFLFBGJLIDDPJE-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072860 557233280 /nfs/dbraw/zinc/23/32/80/557233280.db2.gz JDZVHGBBPXSKJF-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026089600 557233963 /nfs/dbraw/zinc/23/39/63/557233963.db2.gz KQNPSVRANPETFH-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN CC(C)Cc1nc2cccnc2n1C1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000032950252 557234950 /nfs/dbraw/zinc/23/49/50/557234950.db2.gz HKUPNVPLAURLPJ-UHFFFAOYSA-N 0 0 446.382 5.806 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1 ZINC000032950116 557235735 /nfs/dbraw/zinc/23/57/35/557235735.db2.gz ZSEBIPDDULQQEU-UHFFFAOYSA-N 0 0 449.917 5.760 50 0 IKAARN COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SCc3ccco3)CC2)cc1 ZINC000026131368 557236148 /nfs/dbraw/zinc/23/61/48/557236148.db2.gz MZJLZKHEKROCPP-UHFFFAOYSA-N 0 0 435.545 5.316 50 0 IKAARN CC(=O)Nc1ccc(CNc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1 ZINC000026144200 557236475 /nfs/dbraw/zinc/23/64/75/557236475.db2.gz HUTLMIHPYKFHSG-UHFFFAOYSA-N 0 0 429.549 5.203 50 0 IKAARN CC(=O)N(c1nnc(Sc2nc(C)nc3scc(-c4cccs4)c32)s1)C1CC1 ZINC000026142331 557236513 /nfs/dbraw/zinc/23/65/13/557236513.db2.gz JJMJWPXTGNTMLE-UHFFFAOYSA-N 0 0 445.620 5.246 50 0 IKAARN c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1 ZINC000100032518 557237842 /nfs/dbraw/zinc/23/78/42/557237842.db2.gz XCMOVMXDGNQLRP-UHFFFAOYSA-N 0 0 445.585 8.114 50 0 IKAARN Fc1ccccc1[C@@H]1CC(c2ccc(Br)s2)=Nc2nc3ccccc3n21 ZINC000101089837 557237889 /nfs/dbraw/zinc/23/78/89/557237889.db2.gz FUCZJCQBCAYIOO-KRWDZBQOSA-N 0 0 426.314 6.055 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc(Br)cc2)cc1 ZINC000032950898 557238064 /nfs/dbraw/zinc/23/80/64/557238064.db2.gz AKEVPWFKSYFLIN-UHFFFAOYSA-N 0 0 449.352 5.596 50 0 IKAARN Cc1noc(C)c1CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000018119605 557238297 /nfs/dbraw/zinc/23/82/97/557238297.db2.gz QKZABXRZYLLIBU-UHFFFAOYSA-N 0 0 435.940 5.966 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccccc1Cl)(N(C)C)C(C)(C)C ZINC000005677842 557238367 /nfs/dbraw/zinc/23/83/67/557238367.db2.gz DYMHEAIAVZXHFX-LJAQVGFWSA-N 0 0 428.948 6.576 50 0 IKAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000032950753 557238610 /nfs/dbraw/zinc/23/86/10/557238610.db2.gz MWZVKOQNCWRIEW-UHFFFAOYSA-N 0 0 442.416 5.683 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)cs2)cc1 ZINC000026436332 557241077 /nfs/dbraw/zinc/24/10/77/557241077.db2.gz QLRTUFPFVXIJSE-QGZVFWFLSA-N 0 0 427.482 5.137 50 0 IKAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000018125055 557241672 /nfs/dbraw/zinc/24/16/72/557241672.db2.gz YUGKFMIYXGYIOD-HNNXBMFYSA-N 0 0 446.931 5.113 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCc3ccccc3Cl)[C@H]2C2=C1CCC2 ZINC000026464426 557241937 /nfs/dbraw/zinc/24/19/37/557241937.db2.gz SHQASUGBCQYCKT-KNQAVFIVSA-N 0 0 442.053 7.063 50 0 IKAARN O=c1/c(=C/c2c(OCc3ccccc3)ccc3ccccc32)sc2nc3ccccc3n12 ZINC000026464974 557242134 /nfs/dbraw/zinc/24/21/34/557242134.db2.gz WFMMWNQBRHRAMK-XYGWBWBKSA-N 0 0 434.520 5.189 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nccc(C(F)(F)F)n2)c2ccccc2)c1 ZINC000026477095 557242329 /nfs/dbraw/zinc/24/23/29/557242329.db2.gz OFCAIMWNICPTBU-SFHVURJKSA-N 0 0 431.439 5.170 50 0 IKAARN Cc1nnc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1C1CCCCC1 ZINC000026482271 557242576 /nfs/dbraw/zinc/24/25/76/557242576.db2.gz TYASXUDWAHOAIX-CQSZACIVSA-N 0 0 429.615 5.013 50 0 IKAARN Clc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(Cl)cc1C(c1ccccc1)=N2 ZINC000018143775 557242728 /nfs/dbraw/zinc/24/27/28/557242728.db2.gz MQGFJTPZIBDFDR-UHFFFAOYSA-N 0 0 427.334 7.645 50 0 in-vitro IKAARN Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)nn2)cc1 ZINC000032951487 557244456 /nfs/dbraw/zinc/24/44/56/557244456.db2.gz WLPYIFDNXAIJOK-HXUWFJFHSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)nn2)cc1 ZINC000032951512 557244489 /nfs/dbraw/zinc/24/44/89/557244489.db2.gz QEGXCFJPRHIORC-HXUWFJFHSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000032951471 557244492 /nfs/dbraw/zinc/24/44/92/557244492.db2.gz GORLJDDTWHYMHB-UHFFFAOYSA-N 0 0 432.955 5.605 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)nn2)cc1 ZINC000032951490 557244555 /nfs/dbraw/zinc/24/45/55/557244555.db2.gz WLPYIFDNXAIJOK-FQEVSTJZSA-N 0 0 432.593 5.408 50 0 IKAARN NC(=O)c1ccc(Cl)cc1OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000062696337 557245222 /nfs/dbraw/zinc/24/52/22/557245222.db2.gz YPFTYRJRFBRPJV-UHFFFAOYSA-N 0 0 442.513 5.070 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4C)C3)nn2)cc1 ZINC000032951509 557245252 /nfs/dbraw/zinc/24/52/52/557245252.db2.gz DWLPPXADJIFWBC-SFHVURJKSA-N 0 0 436.556 5.239 50 0 IKAARN O=C(NCCn1c2ccccc2nc1-c1ccccc1)Nc1ccc(Br)cc1 ZINC000032951365 557245581 /nfs/dbraw/zinc/24/55/81/557245581.db2.gz ALYPRICPJVRTLY-UHFFFAOYSA-N 0 0 435.325 5.288 50 0 IKAARN O=C(Nc1ccccc1F)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992108 557245794 /nfs/dbraw/zinc/24/57/94/557245794.db2.gz VUYOXEHQYJAFFO-UHFFFAOYSA-N 0 0 431.517 6.478 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(Br)cc3)o2)cc1C ZINC000026623598 557245898 /nfs/dbraw/zinc/24/58/98/557245898.db2.gz MVMXVRKHWXSNBP-INIZCTEOSA-N 0 0 427.342 5.531 50 0 IKAARN CCCOc1ccc2c(oc(C(F)(F)F)c(-c3cc(C(=O)OC)oc3C)c2=S)c1C ZINC000026687891 557246783 /nfs/dbraw/zinc/24/67/83/557246783.db2.gz LJWZXZDCKDGZKN-UHFFFAOYSA-N 0 0 440.439 6.633 50 0 IKAARN O=C(Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1Cl)c1ccc(Cl)cc1Cl ZINC000018194892 557247263 /nfs/dbraw/zinc/24/72/63/557247263.db2.gz OSRLTIMBRVXDOQ-OKILXGFUSA-N 0 0 449.721 5.355 50 0 IKAARN CC1=C(C(=O)OC(C)C)C(c2cccc(Oc3ccccc3)c2)C(C(=O)OC(C)C)=C(C)N1 ZINC000026770707 557247712 /nfs/dbraw/zinc/24/77/12/557247712.db2.gz LALATEVLSOSIDN-UHFFFAOYSA-N 0 0 449.547 5.617 50 0 IKAARN CCCCCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000100208374 557247718 /nfs/dbraw/zinc/24/77/18/557247718.db2.gz QNXQIEXQGLIJBX-HKBOAZHASA-N 0 0 447.362 5.642 50 0 IKAARN O=C(Nc1s/c(=N\c2ccccc2)n(Cc2ccco2)c1-c1ccccc1)c1ccco1 ZINC000026770183 557247723 /nfs/dbraw/zinc/24/77/23/557247723.db2.gz HMSRSVYABBHPSU-QPLCGJKRSA-N 0 0 441.512 5.936 50 0 IKAARN O=C(c1csc(-c2cccs2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000026768758 557247730 /nfs/dbraw/zinc/24/77/30/557247730.db2.gz XFQSBAXQUOILIT-ZDUSSCGKSA-N 0 0 427.576 5.307 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000026770207 557247830 /nfs/dbraw/zinc/24/78/30/557247830.db2.gz HHTXVBWNSHPVRJ-UHFFFAOYSA-N 0 0 433.602 6.533 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1 ZINC000100218640 557248343 /nfs/dbraw/zinc/24/83/43/557248343.db2.gz KJQBEJFPHAGBCV-HHHXNRCGSA-N 0 0 427.284 5.393 50 0 IKAARN CC(C)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4Cl)nn3c2=O)cc1 ZINC000026779608 557248555 /nfs/dbraw/zinc/24/85/55/557248555.db2.gz ABYRHQKCUKPNRQ-OVYHWSPPSA-N 0 0 442.371 5.299 50 0 IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCC[C@@H]1C1CCCCC1 ZINC000069982741 557249686 /nfs/dbraw/zinc/24/96/86/557249686.db2.gz PEWRCCLHVQVEFF-SJLPKXTDSA-N 0 0 426.504 5.080 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCC[C@@H]1C1CCCCC1 ZINC000069982734 557249767 /nfs/dbraw/zinc/24/97/67/557249767.db2.gz PEWRCCLHVQVEFF-AEFFLSMTSA-N 0 0 426.504 5.080 50 0 IKAARN CC(C)(C)Sc1cc(SC(C)(C)C)c(SC(C)(C)C)cc1SC(C)(C)C ZINC000026897745 557250499 /nfs/dbraw/zinc/25/04/99/557250499.db2.gz LOCUYYPERSWXJI-UHFFFAOYSA-N 0 0 430.814 9.249 50 0 IKAARN COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(-c4ccc(Cl)cc4)o1)N(C)CC3)OCO2 ZINC000026921250 557251245 /nfs/dbraw/zinc/25/12/45/557251245.db2.gz AAIORRSUGSIROQ-QGZVFWFLSA-N 0 0 439.895 5.139 50 0 IKAARN Cc1ccccc1-n1c2nc(SCc3ccc(Cl)cc3)n(C)c(=O)c2sc1=S ZINC000032952733 557252172 /nfs/dbraw/zinc/25/21/72/557252172.db2.gz BMKPWMLZOLOWTE-UHFFFAOYSA-N 0 0 446.022 5.769 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3ccsc32)cs1 ZINC000026959828 557252176 /nfs/dbraw/zinc/25/21/76/557252176.db2.gz AWTGGIVLEGEXCA-UHFFFAOYSA-N 0 0 426.592 5.687 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCc3ccc(F)cc3)[C@@H]2C2=C1CCC2 ZINC000026960010 557252506 /nfs/dbraw/zinc/25/25/06/557252506.db2.gz NXDVBQMZXBFQBS-UGKGYDQZSA-N 0 0 425.598 6.549 50 0 IKAARN CCOP(=O)(OCC)[C@H](NC(=O)/C=C/c1ccccc1Cl)C(Cl)(Cl)Cl ZINC000026962920 557252527 /nfs/dbraw/zinc/25/25/27/557252527.db2.gz PYBVVWZAECKYBM-HBWSCVEGSA-N 0 0 449.098 5.432 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCc3ccc(F)cc3)[C@H]2C2=C1CCC2 ZINC000026960017 557252554 /nfs/dbraw/zinc/25/25/54/557252554.db2.gz NXDVBQMZXBFQBS-DENIHFKCSA-N 0 0 425.598 6.549 50 0 IKAARN CN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2s1 ZINC000026965741 557252836 /nfs/dbraw/zinc/25/28/36/557252836.db2.gz RWPHMNIIWVNNFP-UHFFFAOYSA-N 0 0 436.846 5.431 50 0 IKAARN CCOc1cc2c(cc1NC(=O)C1C[C@H]3CCC[C@@H](C1)C31SCCS1)O[C@H](C)C2 ZINC000018238573 557253738 /nfs/dbraw/zinc/25/37/38/557253738.db2.gz FBOZOGKQJUWOAD-CCNLRDMRSA-N 0 0 433.639 5.350 50 0 IKAARN Cc1ccc(OCC(=O)Oc2ccc3oc(=O)sc3c2-c2ccc(Cl)cc2)cc1 ZINC000027017143 557253852 /nfs/dbraw/zinc/25/38/52/557253852.db2.gz LHPMFYNSFUSMIL-UHFFFAOYSA-N 0 0 426.877 5.468 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccco1 ZINC000027020349 557254974 /nfs/dbraw/zinc/25/49/74/557254974.db2.gz YUYAYPUTKSXRDM-UHFFFAOYSA-N 0 0 430.570 5.188 50 0 IKAARN CCc1ccc([C@@H]2C(c3nc4ccccc4s3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000027021760 557255206 /nfs/dbraw/zinc/25/52/06/557255206.db2.gz XKTGQHXMMAPHND-GOSISDBHSA-N 0 0 434.546 5.076 50 0 IKAARN N=c1c2c(ncn1CCCn1ccnc1)Oc1c3ccccc3ccc1[C@@H]2c1ccccc1 ZINC000101116828 557256868 /nfs/dbraw/zinc/25/68/68/557256868.db2.gz LVYZNNTWFBQIKS-QHCPKHFHSA-N 0 0 433.515 5.088 50 0 IKAARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccco4)c(=N)c32)cc1 ZINC000101117206 557256912 /nfs/dbraw/zinc/25/69/12/557256912.db2.gz UBWIISPDOZQKPF-QHCPKHFHSA-N 0 0 435.483 5.452 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(F)cc1F ZINC000000812654 557257220 /nfs/dbraw/zinc/25/72/20/557257220.db2.gz HCXQCEZBDJOYSG-UHFFFAOYSA-N 0 0 434.471 5.215 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Br ZINC000000817485 557258041 /nfs/dbraw/zinc/25/80/41/557258041.db2.gz IISQZZJTYJCIET-UHFFFAOYSA-N 0 0 438.281 5.303 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1Br ZINC000000817524 557258189 /nfs/dbraw/zinc/25/81/89/557258189.db2.gz DTINGPKYLRIBCY-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1OC ZINC000101166644 557258388 /nfs/dbraw/zinc/25/83/88/557258388.db2.gz HQYDOCULSQZABA-HSZRJFAPSA-N 0 0 441.531 5.475 50 0 IKAARN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 ZINC000101175745 557260651 /nfs/dbraw/zinc/26/06/51/557260651.db2.gz UZTNRHVAANRKFQ-VWLOTQADSA-N 0 0 445.522 5.859 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100426171 557260710 /nfs/dbraw/zinc/26/07/10/557260710.db2.gz JLKBRYAXGXRAFH-DWXRJYCRSA-N 0 0 430.935 6.978 50 0 IKAARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000100426892 557260723 /nfs/dbraw/zinc/26/07/23/557260723.db2.gz GEBFSSNLCIRKTA-QYBDOPJKSA-N 0 0 430.935 6.978 50 0 IKAARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000100426889 557260755 /nfs/dbraw/zinc/26/07/55/557260755.db2.gz GEBFSSNLCIRKTA-HFJWLAOPSA-N 0 0 430.935 6.978 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100426945 557260820 /nfs/dbraw/zinc/26/08/20/557260820.db2.gz DQHZFFNZBCXZDN-CRICUBBOSA-N 0 0 432.907 6.503 50 0 IKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)Nc3cccc(Br)c3)cc12 ZINC000032953767 557261320 /nfs/dbraw/zinc/26/13/20/557261320.db2.gz BSKJAAQIOMNRCV-UHFFFAOYSA-N 0 0 439.357 5.940 50 0 IKAARN CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000027439654 557262041 /nfs/dbraw/zinc/26/20/41/557262041.db2.gz RWYIWRXZUUNTMT-QFIPXVFZSA-N 0 0 445.047 7.094 50 0 IKAARN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)C(c1ccccc1)c1ccccc1 ZINC000012843242 557262328 /nfs/dbraw/zinc/26/23/28/557262328.db2.gz YBQICCVGNKWXIG-UHFFFAOYSA-N 0 0 437.322 7.129 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3cccc(OC)c3)c2c1 ZINC000101149322 557262393 /nfs/dbraw/zinc/26/23/93/557262393.db2.gz ITGTVXFBOXULDQ-UHFFFAOYSA-N 0 0 448.544 5.527 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1 ZINC000101148057 557262462 /nfs/dbraw/zinc/26/24/62/557262462.db2.gz IWMCRNGUZIYAIB-UHFFFAOYSA-N 0 0 438.936 5.863 50 0 IKAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1)c1cccc2ccccc21 ZINC000012843162 557262466 /nfs/dbraw/zinc/26/24/66/557262466.db2.gz DSUKMZNKKNRQEE-UHFFFAOYSA-N 0 0 439.534 5.553 50 0 IKAARN CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCc2ccccc21 ZINC000027447789 557262549 /nfs/dbraw/zinc/26/25/49/557262549.db2.gz KEASUJKSJQJCJI-OAQYLSRUSA-N 0 0 426.969 5.454 50 0 IKAARN C[C@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100580494 557265312 /nfs/dbraw/zinc/26/53/12/557265312.db2.gz LDALHFVGDABISL-VHKYSDTDSA-N 0 0 443.341 5.032 50 0 IKAARN CNC(=O)C(NC(=O)c1ccccc1)=C(Sc1ccc(C)cc1)Sc1ccc(C)cc1 ZINC000027562147 557265571 /nfs/dbraw/zinc/26/55/71/557265571.db2.gz BKBALWJMWTXUOB-UHFFFAOYSA-N 0 0 448.613 5.533 50 0 IKAARN NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc2ccccc2c1 ZINC000027564093 557265822 /nfs/dbraw/zinc/26/58/22/557265822.db2.gz ASHAGPCLJNISKM-HHHXNRCGSA-N 0 0 431.495 5.019 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)c4ccco4)nn32)cc1 ZINC000100616490 557265946 /nfs/dbraw/zinc/26/59/46/557265946.db2.gz RQDUQUXASQRDAD-LJQANCHMSA-N 0 0 431.883 5.141 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)c4ccco4)nn32)cc1 ZINC000100616487 557265966 /nfs/dbraw/zinc/26/59/66/557265966.db2.gz RQDUQUXASQRDAD-IBGZPJMESA-N 0 0 431.883 5.141 50 0 IKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc(Cl)c(Cl)c2)c1-c1ccccc1 ZINC000027585065 557266830 /nfs/dbraw/zinc/26/68/30/557266830.db2.gz ILSVEJJAMFNUDM-UHFFFAOYSA-N 0 0 445.353 7.422 50 0 IKAARN c1nn2c(nc(-c3ccccc3)cc2N2CCN(c3ccccc3)CC2)c1-c1ccccc1 ZINC000027585998 557266928 /nfs/dbraw/zinc/26/69/28/557266928.db2.gz MMINUQJBALYOCR-UHFFFAOYSA-N 0 0 431.543 5.390 50 0 IKAARN CCOc1ccc(N(C(=O)CCC2CCCC2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000072271960 557267249 /nfs/dbraw/zinc/26/72/49/557267249.db2.gz RMEHIVJTCBRSQI-UHFFFAOYSA-N 0 0 426.523 5.415 50 0 IKAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000027649775 557268624 /nfs/dbraw/zinc/26/86/24/557268624.db2.gz MIIBCYJHRCXOOK-UHFFFAOYSA-N 0 0 437.471 5.261 50 0 IKAARN Cc1c2ccc(Br)cc2oc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 ZINC000027662837 557269166 /nfs/dbraw/zinc/26/91/66/557269166.db2.gz BEGGOADFSUTXMU-UHFFFAOYSA-N 0 0 435.321 6.054 50 0 IKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000027663804 557270000 /nfs/dbraw/zinc/27/00/00/557270000.db2.gz DZRCCZDMMPTFLR-UHFFFAOYSA-N 0 0 438.767 6.290 50 0 IKAARN COc1ccc(-c2nonc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1C ZINC000027664351 557270261 /nfs/dbraw/zinc/27/02/61/557270261.db2.gz BBYKKYRPECTESS-UHFFFAOYSA-N 0 0 442.269 5.123 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000027664483 557270278 /nfs/dbraw/zinc/27/02/78/557270278.db2.gz LSHGEAOTFUNZRJ-KRWDZBQOSA-N 0 0 444.487 5.408 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000100700379 557270549 /nfs/dbraw/zinc/27/05/49/557270549.db2.gz VKTHWCUSUZHQKJ-GMAHTHKFSA-N 0 0 437.312 6.139 50 0 IKAARN COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1OC ZINC000027664553 557270558 /nfs/dbraw/zinc/27/05/58/557270558.db2.gz VBGFVKOHXHMGCZ-KRWDZBQOSA-N 0 0 440.927 5.061 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccc(Br)cc1)O2 ZINC000100708075 557270772 /nfs/dbraw/zinc/27/07/72/557270772.db2.gz ZNTXVVJENFSVJT-PXNSSMCTSA-N 0 0 445.769 6.406 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C(=O)c2ccccc2)cc1 ZINC000100708163 557270785 /nfs/dbraw/zinc/27/07/85/557270785.db2.gz VXNCYQATTAKWLC-QPPBQGQZSA-N 0 0 447.332 5.510 50 0 IKAARN CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c21)c1cccc(Br)c1 ZINC000027679626 557271274 /nfs/dbraw/zinc/27/12/74/557271274.db2.gz RAEIWROHXSKASL-UHFFFAOYSA-N 0 0 436.309 5.627 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000000828236 557271608 /nfs/dbraw/zinc/27/16/08/557271608.db2.gz SVFIZSBPBYZEPJ-UHFFFAOYSA-N 0 0 434.673 5.106 50 0 IKAARN O[C@H](Cn1c2ccccc2nc1Cc1ccc(Cl)cc1)CN1CCCc2ccccc21 ZINC000027694587 557271700 /nfs/dbraw/zinc/27/17/00/557271700.db2.gz PDTQVBZYLJVPQG-QFIPXVFZSA-N 0 0 431.967 5.094 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)c(C)c3)c2c1 ZINC000101309238 557271869 /nfs/dbraw/zinc/27/18/69/557271869.db2.gz BVRIWTMCBLHVIA-UHFFFAOYSA-N 0 0 432.545 5.745 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 ZINC000027741256 557271846 /nfs/dbraw/zinc/27/18/46/557271846.db2.gz SKXISBUUFVSVDS-CQSZACIVSA-N 0 0 444.919 5.789 50 0 IKAARN COc1ccccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000027742244 557271926 /nfs/dbraw/zinc/27/19/26/557271926.db2.gz RPUJAKAWFOOSPM-HXUWFJFHSA-N 0 0 449.348 5.501 50 0 IKAARN Brc1ccc(-c2nnc(CSc3nnc(C4CCCCC4)o3)o2)s1 ZINC000027719458 557271974 /nfs/dbraw/zinc/27/19/74/557271974.db2.gz FTQIMKCZVBOZEM-UHFFFAOYSA-N 0 0 427.349 5.284 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccccc1Br ZINC000000829418 557272393 /nfs/dbraw/zinc/27/23/93/557272393.db2.gz MZSPHRDHKHULFE-UHFFFAOYSA-N 0 0 443.153 5.451 50 0 IKAARN CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2scc(-c3ccccn3)n21 ZINC000101316999 557272826 /nfs/dbraw/zinc/27/28/26/557272826.db2.gz JGGPSMCAINYJHV-UHFFFAOYSA-N 0 0 426.545 6.445 50 0 IKAARN O=C(COc1ccc(Br)cc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027746870 557272810 /nfs/dbraw/zinc/27/28/10/557272810.db2.gz LNCQEYGNIXXQHF-OAQYLSRUSA-N 0 0 449.348 5.258 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)c2c[nH]c3ccccc32)cc1 ZINC000027746275 557272946 /nfs/dbraw/zinc/27/29/46/557272946.db2.gz UQEKMKISJMFFJA-HSZRJFAPSA-N 0 0 428.532 5.120 50 0 IKAARN Cc1cccc(C)c1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccncc1 ZINC000027753224 557273421 /nfs/dbraw/zinc/27/34/21/557273421.db2.gz BHEXWDOKSALVOE-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 ZINC000027789051 557273771 /nfs/dbraw/zinc/27/37/71/557273771.db2.gz MWMCVVCZTIECAQ-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(OC)cc2)cc1 ZINC000101329297 557273994 /nfs/dbraw/zinc/27/39/94/557273994.db2.gz UDCRKUKOUNQICQ-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000027792674 557274120 /nfs/dbraw/zinc/27/41/20/557274120.db2.gz VMJALWQWFSYSIR-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)cc1 ZINC000027792786 557274171 /nfs/dbraw/zinc/27/41/71/557274171.db2.gz LRDNXNYHYKVNAY-NRFANRHFSA-N 0 0 425.532 5.176 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000027792677 557274196 /nfs/dbraw/zinc/27/41/96/557274196.db2.gz VMJALWQWFSYSIR-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 ZINC000027792702 557274205 /nfs/dbraw/zinc/27/42/05/557274205.db2.gz MILGHNDTLASZQU-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCCn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs/c1=N/c1ccccc1 ZINC000101336844 557274330 /nfs/dbraw/zinc/27/43/30/557274330.db2.gz GEEKHQRQBFPINT-WCWDXBQESA-N 0 0 441.622 5.034 50 0 IKAARN Fc1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccc(Br)s2)C1 ZINC000101353695 557275097 /nfs/dbraw/zinc/27/50/97/557275097.db2.gz WDQOFZAOYCMYPW-QGZVFWFLSA-N 0 0 426.314 6.055 50 0 IKAARN COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(Cl)c2)cc1OC ZINC000101347027 557279782 /nfs/dbraw/zinc/27/97/82/557279782.db2.gz KSGGDNQKMSCDQT-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN CC(C)Cn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)c1=N ZINC000100968952 557279998 /nfs/dbraw/zinc/27/99/98/557279998.db2.gz HALJHHGFDNXWDC-UHFFFAOYSA-N 0 0 432.571 6.356 50 0 IKAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)Nc3ccc(C)cc3)=CSC2=N1 ZINC000101403385 557280322 /nfs/dbraw/zinc/28/03/22/557280322.db2.gz UPBTXHBAJNHNLI-QHCPKHFHSA-N 0 0 447.560 5.162 50 0 IKAARN Clc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/C3CCCCC3)c2c1 ZINC000101379456 557281402 /nfs/dbraw/zinc/28/14/02/557281402.db2.gz UWCPGLDGFVSNBE-AZPGRJICSA-N 0 0 436.024 6.827 50 0 IKAARN Cc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3Cl)c2c1 ZINC000101379481 557281687 /nfs/dbraw/zinc/28/16/87/557281687.db2.gz RUAMKGRCFXHVCR-PBBVDAKRSA-N 0 0 444.003 7.135 50 0 IKAARN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccc(F)c2)c2c[nH]c3ccccc32)cc1 ZINC000013096160 557282160 /nfs/dbraw/zinc/28/21/60/557282160.db2.gz IXBXYMZCCGWCHC-RLMNYEENSA-N 0 0 427.523 5.335 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000101094175 557282710 /nfs/dbraw/zinc/28/27/10/557282710.db2.gz XWSHCIQBSUMIHI-UHFFFAOYSA-N 0 0 426.516 5.955 50 0 IKAARN O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1ccccc1Cl ZINC000011665513 557284159 /nfs/dbraw/zinc/28/41/59/557284159.db2.gz AHNBZVCQYAXWEL-UHFFFAOYSA-N 0 0 431.908 5.426 50 0 IKAARN C[C@H](Oc1ccccc1)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023323153 557284643 /nfs/dbraw/zinc/28/46/43/557284643.db2.gz YSUBPGDJDZCFON-CPJSRVTESA-N 0 0 434.967 5.041 50 0 IKAARN CC1=C(CC(=O)Nc2nccs2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101450055 557285651 /nfs/dbraw/zinc/28/56/51/557285651.db2.gz OWZZPDJNIRNDDL-YKKSQVCZSA-N 0 0 438.549 5.376 50 0 IKAARN CC(=O)Nc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000101500593 557289518 /nfs/dbraw/zinc/28/95/18/557289518.db2.gz LVUAMUMQPLNJMS-GAJHUEQPSA-N 0 0 429.476 5.255 50 0 IKAARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000101472950 557290436 /nfs/dbraw/zinc/29/04/36/557290436.db2.gz XEVKWAVTQJYFCZ-PIIWDFAUSA-N 0 0 440.562 7.752 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000101472944 557290544 /nfs/dbraw/zinc/29/05/44/557290544.db2.gz XEVKWAVTQJYFCZ-MMTVBGGISA-N 0 0 440.562 7.752 50 0 IKAARN CN1CCc2c3ccccc3[nH]c2[C@@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358603 557291630 /nfs/dbraw/zinc/29/16/30/557291630.db2.gz KZSQEBJGYVKTAF-QCDSWUKFSA-N 0 0 430.551 6.576 50 0 IKAARN CN1CCc2c3ccccc3[nH]c2[C@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358608 557291796 /nfs/dbraw/zinc/29/17/96/557291796.db2.gz KZSQEBJGYVKTAF-SETSBSEESA-N 0 0 430.551 6.576 50 0 IKAARN CCCCOc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4c3cccc4C)CC2)cc1 ZINC000023323579 557294124 /nfs/dbraw/zinc/29/41/24/557294124.db2.gz KLSWJNWTEFOLFC-UHFFFAOYSA-N 0 0 426.582 5.224 50 0 IKAARN O=C(Nc1nc2ccc(I)cc2s1)c1ccc(Cl)cc1Cl ZINC000033380048 557294126 /nfs/dbraw/zinc/29/41/26/557294126.db2.gz BQPUHJHSBYDTRF-UHFFFAOYSA-N 0 0 449.100 5.460 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@@H]2C1 ZINC000101700133 557295018 /nfs/dbraw/zinc/29/50/18/557295018.db2.gz VWOOMHRDUWLVNY-DAXOMENPSA-N 0 0 431.319 5.171 50 0 IKAARN O=C(NCc1ccccc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023323891 557295036 /nfs/dbraw/zinc/29/50/36/557295036.db2.gz PNOAZIPONCHSRX-DEOSSOPVSA-N 0 0 437.946 5.096 50 0 IKAARN FC(F)(F)c1ccc(Cl)c(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000033387631 557296382 /nfs/dbraw/zinc/29/63/82/557296382.db2.gz BWXBGYOYBJHZGE-VZNHHXIYSA-N 0 0 426.869 7.380 50 0 IKAARN CC(=O)N1c2ccccc2C(c2ccccc2)(c2ccccc2)O[C@H]1/C=C\c1ccccc1 ZINC000033387425 557296446 /nfs/dbraw/zinc/29/64/46/557296446.db2.gz DUXSABVZZZUSPH-GGVPUECXSA-N 0 0 431.535 6.401 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccc(Cl)cc1 ZINC000101797448 557298799 /nfs/dbraw/zinc/29/87/99/557298799.db2.gz PBSBEZISDRRSSI-OAQYLSRUSA-N 0 0 445.885 5.379 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ncc(C(F)(F)F)cc3Cl)ccc21 ZINC000014076296 557299339 /nfs/dbraw/zinc/29/93/39/557299339.db2.gz MCOOUBZEWBJNEN-JTQLQIEISA-N 0 0 428.863 5.026 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3sc(-c4cccc(Cl)c4)nc3C)n2)cc1 ZINC000014076857 557299439 /nfs/dbraw/zinc/29/94/39/557299439.db2.gz JNNLUTZSQNVASS-UHFFFAOYSA-N 0 0 441.965 6.156 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023324402 557300507 /nfs/dbraw/zinc/30/05/07/557300507.db2.gz KWOYBIMORBCSMF-HSZRJFAPSA-N 0 0 425.359 5.541 50 0 IKAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc(Br)cc4)ccc3C(=O)O2)cc1 ZINC000011666564 557300552 /nfs/dbraw/zinc/30/05/52/557300552.db2.gz NCBHPPGUEBQHFC-NRFANRHFSA-N 0 0 436.305 5.464 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)C1CCCCC1 ZINC000101835280 557301605 /nfs/dbraw/zinc/30/16/05/557301605.db2.gz HSXANWVMEBDMCQ-OAQYLSRUSA-N 0 0 433.943 5.506 50 0 IKAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(c2ccc(Cl)cc2)=N3)c1 ZINC000101835232 557301633 /nfs/dbraw/zinc/30/16/33/557301633.db2.gz DAHZVWODEWBLDY-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(Cl)cc4)nn32)cc1 ZINC000101835555 557301931 /nfs/dbraw/zinc/30/19/31/557301931.db2.gz WTOFSOPLOFMXQT-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)c4ccccc4)nn32)cc1 ZINC000101835710 557302215 /nfs/dbraw/zinc/30/22/15/557302215.db2.gz ILUDSHMFHZDWBV-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(C)cc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101835893 557302477 /nfs/dbraw/zinc/30/24/77/557302477.db2.gz LBVSQBOMJMWSDA-DEOSSOPVSA-N 0 0 435.531 5.512 50 0 IKAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)c1 ZINC000101836013 557302491 /nfs/dbraw/zinc/30/24/91/557302491.db2.gz DGNJMNQGNWDKJM-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(F)cc4)nn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101835907 557302509 /nfs/dbraw/zinc/30/25/09/557302509.db2.gz IPUFRQJMSBNNCR-QHCPKHFHSA-N 0 0 439.494 5.342 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101836064 557302667 /nfs/dbraw/zinc/30/26/67/557302667.db2.gz UTWFSGRAEIPDDW-LJQANCHMSA-N 0 0 442.350 5.626 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101836056 557302671 /nfs/dbraw/zinc/30/26/71/557302671.db2.gz UTWFSGRAEIPDDW-IBGZPJMESA-N 0 0 442.350 5.626 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccco4)nn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101836217 557302700 /nfs/dbraw/zinc/30/27/00/557302700.db2.gz LJOQCOUZWGAVDH-IBGZPJMESA-N 0 0 431.883 5.141 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101836284 557302761 /nfs/dbraw/zinc/30/27/61/557302761.db2.gz PNQCJZLDHRQYLW-LJQANCHMSA-N 0 0 425.895 5.111 50 0 IKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(F)cc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101836350 557302798 /nfs/dbraw/zinc/30/27/98/557302798.db2.gz VVGHATGNWYNVLP-HSZRJFAPSA-N 0 0 439.494 5.342 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000102475959 557302813 /nfs/dbraw/zinc/30/28/13/557302813.db2.gz ZFZYIBJMDUUYFX-WGDIFIGCSA-N 0 0 430.935 6.978 50 0 IKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000101836575 557302979 /nfs/dbraw/zinc/30/29/79/557302979.db2.gz QESLEKPOPVFZJX-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(C(=O)c2ccccc2)c1 ZINC000011666992 557303073 /nfs/dbraw/zinc/30/30/73/557303073.db2.gz WASMYICUFNSYFJ-UHFFFAOYSA-N 0 0 442.518 6.694 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101837124 557303213 /nfs/dbraw/zinc/30/32/13/557303213.db2.gz GRRFMOZMCXDEAY-FQEVSTJZSA-N 0 0 445.885 5.379 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccco4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000101837028 557303275 /nfs/dbraw/zinc/30/32/75/557303275.db2.gz DWZOZOSIIHBYCP-IBGZPJMESA-N 0 0 431.883 5.141 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)nn32)cc1O ZINC000101915760 557303422 /nfs/dbraw/zinc/30/34/22/557303422.db2.gz ODGWEHHGTJGDDI-FQEVSTJZSA-N 0 0 430.895 5.369 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccco4)nn3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837530 557303429 /nfs/dbraw/zinc/30/34/29/557303429.db2.gz JIFXWBHPDLTWLZ-GOSISDBHSA-N 0 0 449.873 5.280 50 0 IKAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101837285 557303443 /nfs/dbraw/zinc/30/34/43/557303443.db2.gz JCJMNPUZYVZXMZ-QGZVFWFLSA-N 0 0 446.313 5.519 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837548 557303475 /nfs/dbraw/zinc/30/34/75/557303475.db2.gz AQWWJZPISBGTDL-IBGZPJMESA-N 0 0 439.922 5.420 50 0 IKAARN O=C(COc1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000102531836 557303541 /nfs/dbraw/zinc/30/35/41/557303541.db2.gz YLBIQCZQQUYSMX-PLQXJYEYSA-N 0 0 437.495 5.071 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccco1 ZINC000013163849 557303506 /nfs/dbraw/zinc/30/35/06/557303506.db2.gz TUDBEUQHYWBVNW-UHFFFAOYSA-N 0 0 426.472 5.672 50 0 IKAARN CCOc1cc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)ccc1O ZINC000102576129 557304077 /nfs/dbraw/zinc/30/40/77/557304077.db2.gz CCHJXOIHTGYFCU-QFIPXVFZSA-N 0 0 448.548 5.346 50 0 IKAARN O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000102641584 557304326 /nfs/dbraw/zinc/30/43/26/557304326.db2.gz CMWQHGOOGSLUPK-FOVJLYNBSA-N 0 0 431.532 5.249 50 0 IKAARN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000102643722 557304589 /nfs/dbraw/zinc/30/45/89/557304589.db2.gz PZAQEQGFNKOLDD-JWQCQUIFSA-N 0 0 439.511 5.176 50 0 IKAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)C2)cc1C ZINC000101880488 557304624 /nfs/dbraw/zinc/30/46/24/557304624.db2.gz KDWLVHOADMUFIV-UHFFFAOYSA-N 0 0 446.938 5.156 50 0 IKAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(C(C)C)c3)C(=O)C2)cc1C ZINC000101880374 557304660 /nfs/dbraw/zinc/30/46/60/557304660.db2.gz HTFZPJKELUMTJW-UHFFFAOYSA-N 0 0 440.547 5.318 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000101881135 557305196 /nfs/dbraw/zinc/30/51/96/557305196.db2.gz VAPHVFMDESQLBV-UHFFFAOYSA-N 0 0 446.938 5.355 50 0 IKAARN O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014122018 557306256 /nfs/dbraw/zinc/30/62/56/557306256.db2.gz XINHHLPODYOEIT-HNNXBMFYSA-N 0 0 439.968 5.096 50 0 IKAARN COc1ccc(-c2cc(NC(=O)[C@H](NC(=O)Nc3ccccc3)C(C)C)ccc2OC)cc1 ZINC000014125954 557306495 /nfs/dbraw/zinc/30/64/95/557306495.db2.gz RCLFAUQZDHAVOH-XMMPIXPASA-N 0 0 447.535 5.156 50 0 IKAARN Cc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101968734 557306664 /nfs/dbraw/zinc/30/66/64/557306664.db2.gz YBCRJLWGVSLVSL-DEOSSOPVSA-N 0 0 440.934 6.153 50 0 IKAARN COc1ccccc1CN(C)C(=O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000014117952 557307579 /nfs/dbraw/zinc/30/75/79/557307579.db2.gz ZFKHQNZBVZLGMA-UHFFFAOYSA-N 0 0 429.545 5.056 50 0 IKAARN O=C([C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1)N1CCCC1 ZINC000014128975 557307871 /nfs/dbraw/zinc/30/78/71/557307871.db2.gz DAVOYRMRLLSDFB-DEOSSOPVSA-N 0 0 443.547 5.892 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946105 557308104 /nfs/dbraw/zinc/30/81/04/557308104.db2.gz WECMECWKFLKTJY-HSZRJFAPSA-N 0 0 443.591 5.004 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCC1=N2 ZINC000101946315 557308157 /nfs/dbraw/zinc/30/81/57/557308157.db2.gz RVBHWXQDPAVQSH-KRWDZBQOSA-N 0 0 429.442 5.180 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946312 557308193 /nfs/dbraw/zinc/30/81/93/557308193.db2.gz RVBHWXQDPAVQSH-QGZVFWFLSA-N 0 0 429.442 5.180 50 0 IKAARN Cc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1C ZINC000101947698 557308357 /nfs/dbraw/zinc/30/83/57/557308357.db2.gz ZSRFEJNVRALORV-UHFFFAOYSA-N 0 0 431.561 5.478 50 0 IKAARN CC(=O)c1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101948005 557308650 /nfs/dbraw/zinc/30/86/50/557308650.db2.gz CEOLSGNOLHBTGV-UHFFFAOYSA-N 0 0 445.544 5.064 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)cc1F)C(=O)CC(c1cccs1)=N2 ZINC000101948090 557308655 /nfs/dbraw/zinc/30/86/55/557308655.db2.gz CBILUCIFOVDMHS-UHFFFAOYSA-N 0 0 439.487 5.139 50 0 IKAARN COc1ccc(C)cc1NC(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O ZINC000101948034 557308664 /nfs/dbraw/zinc/30/86/64/557308664.db2.gz KUIUOVQOXIZPKL-UHFFFAOYSA-N 0 0 447.560 5.178 50 0 IKAARN Cc1ccc(CN2c3ccccc3N=C(c3ccc(Br)s3)CC2=O)c(C)c1 ZINC000101948176 557308869 /nfs/dbraw/zinc/30/88/69/557308869.db2.gz GREHNIYKCDUWDX-UHFFFAOYSA-N 0 0 439.378 6.185 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014128576 557309286 /nfs/dbraw/zinc/30/92/86/557309286.db2.gz DKVMMIIGXOHLNA-NRFANRHFSA-N 0 0 429.900 5.494 50 0 IKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000101998994 557311372 /nfs/dbraw/zinc/31/13/72/557311372.db2.gz ZYKQWNZRABBVDS-AREMUKBSSA-N 0 0 446.547 6.254 50 0 IKAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023326325 557311539 /nfs/dbraw/zinc/31/15/39/557311539.db2.gz AORVIHZMLGSJKC-JIMJEQGWSA-N 0 0 445.994 5.313 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1 ZINC000103087732 557312636 /nfs/dbraw/zinc/31/26/36/557312636.db2.gz HIFMEZWRVWHWBI-PNHOKKKMSA-N 0 0 444.457 5.157 50 0 IKAARN CN(c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000102159965 557312882 /nfs/dbraw/zinc/31/28/82/557312882.db2.gz HWJCIWCLDIZRDL-RPBOFIJWSA-N 0 0 448.975 5.704 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023327402 557313368 /nfs/dbraw/zinc/31/33/68/557313368.db2.gz LQMXIFKAPDPEAR-QHCPKHFHSA-N 0 0 440.374 5.933 50 0 IKAARN CCc1ccc(C2=Nc3c(C(=O)Nc4cccc(C)c4)cnn3[C@H](c3ccccc3)C2)cc1 ZINC000102133337 557313415 /nfs/dbraw/zinc/31/34/15/557313415.db2.gz DQRFULYKCXWKSG-SANMLTNESA-N 0 0 434.543 6.062 50 0 IKAARN COc1ccc(/C=C2\c3ccccc3Cn3c4sc5c(c4c(=O)nc32)CCCC5)cc1 ZINC000032669831 557313686 /nfs/dbraw/zinc/31/36/86/557313686.db2.gz OMQRGRSCFAXEII-KGENOOAVSA-N 0 0 426.541 5.296 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(Cl)cc1 ZINC000023327772 557313982 /nfs/dbraw/zinc/31/39/82/557313982.db2.gz JBXYGTDSSMNSQY-UHFFFAOYSA-N 0 0 432.973 5.585 50 0 IKAARN Cc1sc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)n(C(C)C)c(=O)c2c1C ZINC000014183581 557314209 /nfs/dbraw/zinc/31/42/09/557314209.db2.gz RINJNFGSCBLYRJ-LBPRGKRZSA-N 0 0 432.596 5.621 50 0 IKAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000014186078 557314642 /nfs/dbraw/zinc/31/46/42/557314642.db2.gz MXOMDUQPIMUZLH-UHFFFAOYSA-N 0 0 436.817 5.330 50 0 IKAARN O=C([C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)c1ccccc1)N1CCCC1 ZINC000032741664 557314715 /nfs/dbraw/zinc/31/47/15/557314715.db2.gz JZHVDQCESPXVLU-DEOSSOPVSA-N 0 0 425.557 5.753 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000102201157 557314887 /nfs/dbraw/zinc/31/48/87/557314887.db2.gz WSRCUKZDFWAUDD-UHFFFAOYSA-N 0 0 429.879 5.974 50 0 IKAARN FC(F)(F)c1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)CC(c1ccc(Cl)cc1)=N2 ZINC000102235872 557315153 /nfs/dbraw/zinc/31/51/53/557315153.db2.gz NFVCQOUPKKJLKW-HNNXBMFYSA-N 0 0 445.659 6.313 50 0 IKAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC000102208751 557315524 /nfs/dbraw/zinc/31/55/24/557315524.db2.gz YVMJNAXKVMSTOK-NHCICSSKSA-N 0 0 436.621 6.430 50 0 IKAARN CN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000011667181 557315681 /nfs/dbraw/zinc/31/56/81/557315681.db2.gz CIPMSGAVSCUNNO-UHFFFAOYSA-N 0 0 429.589 5.950 50 0 IKAARN COc1cc(/C=C/C(=O)N([C@@H](C)c2cccc3ccccc32)C2CC2)cc(OC)c1OC ZINC000032832524 557316777 /nfs/dbraw/zinc/31/67/77/557316777.db2.gz VZFBWSHSDTXTHM-XOVFHRFOSA-N 0 0 431.532 5.631 50 0 IKAARN O=c1[nH]c(SCCOc2ccccc2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948318 557317687 /nfs/dbraw/zinc/31/76/87/557317687.db2.gz LYUQWYXIGJGAAX-UHFFFAOYSA-N 0 0 447.994 5.329 50 0 IKAARN Cc1cc(OCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)ccc1Cl ZINC000011667403 557318569 /nfs/dbraw/zinc/31/85/69/557318569.db2.gz GNOVDFRBFSBOPD-KRWDZBQOSA-N 0 0 437.927 5.551 50 0 IKAARN Cc1ccc(OCCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)cc1C ZINC000011667346 557318574 /nfs/dbraw/zinc/31/85/74/557318574.db2.gz GVYBZOPFVMTFEF-FQEVSTJZSA-N 0 0 431.536 5.596 50 0 IKAARN Cc1cccc(C)c1N1C(=O)CN=C1c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000032935030 557318833 /nfs/dbraw/zinc/31/88/33/557318833.db2.gz BFNPHXFPZLEXCQ-UHFFFAOYSA-N 0 0 447.332 5.090 50 0 IKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1F ZINC000032955119 557318903 /nfs/dbraw/zinc/31/89/03/557318903.db2.gz BQDORZNHKHBCNL-UHFFFAOYSA-N 0 0 447.354 6.511 50 0 IKAARN COc1cc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc(OC)c1OC ZINC000032960486 557319530 /nfs/dbraw/zinc/31/95/30/557319530.db2.gz YSSZVXWMVCGMSE-UHFFFAOYSA-N 0 0 440.450 5.085 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000032972121 557319826 /nfs/dbraw/zinc/31/98/26/557319826.db2.gz YAISQYOSUCMSQL-UHFFFAOYSA-N 0 0 425.703 5.143 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000032986608 557320302 /nfs/dbraw/zinc/32/03/02/557320302.db2.gz BIRRGXJOWXAUQH-UHFFFAOYSA-N 0 0 446.890 5.935 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000033009185 557320622 /nfs/dbraw/zinc/32/06/22/557320622.db2.gz YRUYUSCLBRFCMK-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000033009316 557320697 /nfs/dbraw/zinc/32/06/97/557320697.db2.gz SWINDYKIPVRFKW-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010877 557321017 /nfs/dbraw/zinc/32/10/17/557321017.db2.gz DKCPKMYGMNJHQB-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000033037183 557322473 /nfs/dbraw/zinc/32/24/73/557322473.db2.gz BBHLVEPIBJENCD-UHFFFAOYSA-N 0 0 438.531 5.675 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(F)cc1)CCCC3 ZINC000033042845 557322847 /nfs/dbraw/zinc/32/28/47/557322847.db2.gz BMHHQPHWRFHQMY-QHCPKHFHSA-N 0 0 437.584 5.979 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067927 557323323 /nfs/dbraw/zinc/32/33/23/557323323.db2.gz UQIPYDIYYHIUPT-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000033068734 557323359 /nfs/dbraw/zinc/32/33/59/557323359.db2.gz KHFHPFRMKBRKLP-UHFFFAOYSA-N 0 0 447.991 6.222 50 0 IKAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Oc3ccc4sc(=O)oc4c3)sc21 ZINC000033069259 557323725 /nfs/dbraw/zinc/32/37/25/557323725.db2.gz JKMOBORKENPIPO-UHFFFAOYSA-N 0 0 442.905 5.342 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Oc4cccc(OC)c4)nn3)cc2)cc1 ZINC000033130913 557325200 /nfs/dbraw/zinc/32/52/00/557325200.db2.gz PJVFSGDOXOSAIC-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Oc4ccc(F)cc4)nn3)cc2)cc1OC ZINC000033130941 557325234 /nfs/dbraw/zinc/32/52/34/557325234.db2.gz VKOCRHKGRYPFQO-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)nc2)cc1 ZINC000033139334 557325511 /nfs/dbraw/zinc/32/55/11/557325511.db2.gz ACHAXMGFPAEBHX-UHFFFAOYSA-N 0 0 443.934 5.870 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)C)cc2)sc2c1C1CCN2CC1 ZINC000102445856 557325802 /nfs/dbraw/zinc/32/58/02/557325802.db2.gz YBELFHKWTRUYBW-UHFFFAOYSA-N 0 0 426.582 5.317 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3F)c3cc(C)ccc3n2)cc1 ZINC000033106403 557326028 /nfs/dbraw/zinc/32/60/28/557326028.db2.gz QYWFEZXGXADBEH-UHFFFAOYSA-N 0 0 427.479 5.238 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(F)c(C)c3)CC2)cc1 ZINC000033168617 557326406 /nfs/dbraw/zinc/32/64/06/557326406.db2.gz BNJINLYEIBKLDW-UHFFFAOYSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)s1 ZINC000033171959 557326625 /nfs/dbraw/zinc/32/66/25/557326625.db2.gz ISNUJPOMWMDPFF-UHFFFAOYSA-N 0 0 448.361 5.361 50 0 IKAARN O=C(CSc1nc2cc(Br)ccc2[nH]1)c1ccc(Br)cc1 ZINC000000834017 557326928 /nfs/dbraw/zinc/32/69/28/557326928.db2.gz BGMYDIKCGCLXMV-UHFFFAOYSA-N 0 0 426.133 5.063 50 0 IKAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)Nc3cc(Cl)ccc3C)c2cc1C ZINC000033251118 557327289 /nfs/dbraw/zinc/32/72/89/557327289.db2.gz SEYRQERMVNEZEE-CYBMUJFWSA-N 0 0 437.849 5.194 50 0 IKAARN CCc1ccccc1NC(=O)[C@H](CC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251083 557327302 /nfs/dbraw/zinc/32/73/02/557327302.db2.gz RWEJLBPRJQIYGL-SFHVURJKSA-N 0 0 431.458 5.184 50 0 IKAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000024468912 557327365 /nfs/dbraw/zinc/32/73/65/557327365.db2.gz RFEHRJIBILDLMQ-UHFFFAOYSA-N 0 0 434.561 5.855 50 0 IKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)c2ccccc2Br)CC3)cc1 ZINC000033255848 557329390 /nfs/dbraw/zinc/32/93/90/557329390.db2.gz RFROXZPJAHHRAD-UHFFFAOYSA-N 0 0 443.366 5.170 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)NCCC1=CCCCC1 ZINC000033258621 557329410 /nfs/dbraw/zinc/32/94/10/557329410.db2.gz UGXBFXSPSBMJAP-UHFFFAOYSA-N 0 0 445.567 5.509 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000014245734 557329451 /nfs/dbraw/zinc/32/94/51/557329451.db2.gz YVBUCBDCDGNBPQ-UHFFFAOYSA-N 0 0 431.319 5.581 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccccc3C)no2)c1C ZINC000033296903 557330455 /nfs/dbraw/zinc/33/04/55/557330455.db2.gz RMWWVEMUWPYZHB-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014261453 557331738 /nfs/dbraw/zinc/33/17/38/557331738.db2.gz OPQLNAMYIXGVFR-UHFFFAOYSA-N 0 0 432.268 5.044 50 0 IKAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 ZINC000033288277 557332048 /nfs/dbraw/zinc/33/20/48/557332048.db2.gz LNYRYSDUMDLEPW-UHFFFAOYSA-N 0 0 430.552 5.556 50 0 IKAARN CCc1ccccc1NC(=O)[C@H]1CCCN(c2nccnc2Sc2ccc(C)cc2)C1 ZINC000033288425 557332303 /nfs/dbraw/zinc/33/23/03/557332303.db2.gz RQJPZMIMCRSMPC-FQEVSTJZSA-N 0 0 432.593 5.354 50 0 IKAARN CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 ZINC000033289496 557332324 /nfs/dbraw/zinc/33/23/24/557332324.db2.gz MTNOFHGNWBXUKA-HXUWFJFHSA-N 0 0 446.551 5.012 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1Cl ZINC000033289341 557332353 /nfs/dbraw/zinc/33/23/53/557332353.db2.gz DPSFQJACYMNJBZ-UHFFFAOYSA-N 0 0 449.384 6.379 50 0 IKAARN COc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)/C=C\c3ccc(OC)cc3)c2)cc1 ZINC000033335413 557333412 /nfs/dbraw/zinc/33/34/12/557333412.db2.gz PMESDYPFGBSGFE-APGQMXJTSA-N 0 0 428.488 5.008 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(F)ccc3F)[C@H]2c2cccs2)cc1 ZINC000015005139 557333947 /nfs/dbraw/zinc/33/39/47/557333947.db2.gz VNCQDFQTGCTRIF-VGSWGCGISA-N 0 0 426.488 5.458 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3cccc(Cl)c3)c2C(N)=O)C1 ZINC000033400501 557333957 /nfs/dbraw/zinc/33/39/57/557333957.db2.gz VXICAUNYBHPMGG-MEODZPNASA-N 0 0 431.001 5.693 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(F)ccc3F)[C@@H]2c2cccs2)cc1 ZINC000015005134 557333977 /nfs/dbraw/zinc/33/39/77/557333977.db2.gz VNCQDFQTGCTRIF-HTAPYJJXSA-N 0 0 426.488 5.458 50 0 IKAARN CCCCc1ccc(NCN2C(=O)S/C(=C/c3ccc(OC)cc3OC)C2=O)cc1 ZINC000033349450 557334129 /nfs/dbraw/zinc/33/41/29/557334129.db2.gz VBVLSWRNPRGIMH-FYJGNVAPSA-N 0 0 426.538 5.152 50 0 IKAARN COc1ccc(NC(=O)CCC2CCCC2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000014356546 557335422 /nfs/dbraw/zinc/33/54/22/557335422.db2.gz FRFBAEKEEWIBBE-UHFFFAOYSA-N 0 0 436.961 5.058 50 0 IKAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccc(OC(F)F)cc3)c2C1 ZINC000014360822 557336318 /nfs/dbraw/zinc/33/63/18/557336318.db2.gz STTRLXTZBAXEDO-AWEZNQCLSA-N 0 0 425.431 5.001 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@@H]2c1ccc(F)cc1 ZINC000102499987 557337186 /nfs/dbraw/zinc/33/71/86/557337186.db2.gz FBSKFGPMNLYLJW-AREMUKBSSA-N 0 0 440.518 6.928 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NC(C)(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000263621500 557337782 /nfs/dbraw/zinc/33/77/82/557337782.db2.gz BMFRSUUPDIARMS-XXDOOQNXSA-N 0 0 429.626 7.437 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CC)n(-c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 ZINC000023328382 557338023 /nfs/dbraw/zinc/33/80/23/557338023.db2.gz MAJSJDYVYCQBDA-PMACEKPBSA-N 0 0 447.579 5.314 50 0 IKAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023328550 557338050 /nfs/dbraw/zinc/33/80/50/557338050.db2.gz XNTOLMZACOVYNX-SANMLTNESA-N 0 0 430.592 5.741 50 0 IKAARN CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 ZINC000023328390 557338105 /nfs/dbraw/zinc/33/81/05/557338105.db2.gz MAJSJDYVYCQBDA-WOJBJXKFSA-N 0 0 447.579 5.314 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023328950 557338283 /nfs/dbraw/zinc/33/82/83/557338283.db2.gz POXCGLSVTSLZPL-UHFFFAOYSA-N 0 0 426.894 5.166 50 0 IKAARN Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@@H](c2ccccc2)C(=O)[C@H]1c1ccccc1 ZINC000072170937 557338697 /nfs/dbraw/zinc/33/86/97/557338697.db2.gz GLGDFPUNSJTPGO-RLQUZOAZSA-N 0 0 431.579 6.826 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000033409271 557338737 /nfs/dbraw/zinc/33/87/37/557338737.db2.gz FKIFIQMUUXHKKI-RUZDIDTESA-N 0 0 444.550 5.422 50 0 IKAARN C[C@H]1CCCN(c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)C1 ZINC000023328991 557338761 /nfs/dbraw/zinc/33/87/61/557338761.db2.gz DIUBNEZPEZEKEU-NRFANRHFSA-N 0 0 427.592 5.566 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCc2cccnc2)cc1 ZINC000033570495 557339477 /nfs/dbraw/zinc/33/94/77/557339477.db2.gz QBEITEFZKFEWQH-UHFFFAOYSA-N 0 0 439.924 5.143 50 0 IKAARN CN(C(=O)c1ccccc1Cl)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000263639781 557340199 /nfs/dbraw/zinc/34/01/99/557340199.db2.gz INDXTAHCBQTNMQ-UHFFFAOYSA-N 0 0 432.273 5.148 50 0 IKAARN CN(C(=O)c1ccc(Cl)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000263639748 557340304 /nfs/dbraw/zinc/34/03/04/557340304.db2.gz HEGZVVHAJJUGQA-UHFFFAOYSA-N 0 0 432.273 5.148 50 0 IKAARN O=C(c1ccc(F)cc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023330254 557340919 /nfs/dbraw/zinc/34/09/19/557340919.db2.gz DKGNDLZZYXMDLI-QHCPKHFHSA-N 0 0 426.894 5.166 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O ZINC000102529850 557340991 /nfs/dbraw/zinc/34/09/91/557340991.db2.gz LXJAPGSZALSYCO-UHFFFAOYSA-N 0 0 435.886 5.284 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3Cl)C(=O)C2)cc1C ZINC000102530028 557341274 /nfs/dbraw/zinc/34/12/74/557341274.db2.gz ZAKRKVACTARZIX-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)cc1C ZINC000102530033 557341301 /nfs/dbraw/zinc/34/13/01/557341301.db2.gz PZSKICKAXMZDRM-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)cc1 ZINC000102530498 557342636 /nfs/dbraw/zinc/34/26/36/557342636.db2.gz ASOVBRWEGRERLF-UHFFFAOYSA-N 0 0 441.531 5.117 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)C2)cc1 ZINC000102530862 557342796 /nfs/dbraw/zinc/34/27/96/557342796.db2.gz VGLSVOXSFSLMCJ-UHFFFAOYSA-N 0 0 445.950 5.707 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(C)ccc3C)C(=O)C2)cc1 ZINC000102530689 557342866 /nfs/dbraw/zinc/34/28/66/557342866.db2.gz FMQHHLGLMWCTAX-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2C3C(=O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1 ZINC000102531061 557343120 /nfs/dbraw/zinc/34/31/20/557343120.db2.gz BPRNTYSLLNTUKX-RUZDIDTESA-N 0 0 429.541 5.916 50 0 IKAARN CCOc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)cc2C)CC1=O ZINC000102531090 557343158 /nfs/dbraw/zinc/34/31/58/557343158.db2.gz ZQLSTKFFGJNVKN-UHFFFAOYSA-N 0 0 441.531 5.198 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)c(C)c1 ZINC000102531016 557343167 /nfs/dbraw/zinc/34/31/67/557343167.db2.gz BXGSSKUXIGNHEL-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN CCCCC[C@H](C)NC(=O)c1cncn1-c1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000023332373 557344258 /nfs/dbraw/zinc/34/42/58/557344258.db2.gz UXUANDHNKXRMSR-KRWDZBQOSA-N 0 0 425.960 5.900 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccc(C)cc3C)s2)c(C)c1Cc1ccccc1 ZINC000014608877 557344769 /nfs/dbraw/zinc/34/47/69/557344769.db2.gz ZHWWDOPTLTXNDC-UHFFFAOYSA-N 0 0 430.577 5.714 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609338 557345132 /nfs/dbraw/zinc/34/51/32/557345132.db2.gz GDWXBFYXMNDVED-UHFFFAOYSA-N 0 0 444.604 5.643 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)c(C)c1Cc1ccccc1 ZINC000014609278 557345211 /nfs/dbraw/zinc/34/52/11/557345211.db2.gz HOAGUGOEHZNZJJ-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccc3ccccc32)cc1 ZINC000014611146 557345411 /nfs/dbraw/zinc/34/54/11/557345411.db2.gz VEJNOOOXOCFTBC-UHFFFAOYSA-N 0 0 436.515 6.115 50 0 IKAARN O=C(c1cccc2ccccc21)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000014611209 557345458 /nfs/dbraw/zinc/34/54/58/557345458.db2.gz FHCXZOZWLQFVOR-UHFFFAOYSA-N 0 0 428.879 5.645 50 0 IKAARN O=C(C1CCCCC1)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014611001 557345465 /nfs/dbraw/zinc/34/54/65/557345465.db2.gz FXDVSACKSGUGTI-UHFFFAOYSA-N 0 0 429.318 5.133 50 0 IKAARN Cc1ccc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023332768 557346405 /nfs/dbraw/zinc/34/64/05/557346405.db2.gz HFVKJZMBMULPSU-UHFFFAOYSA-N 0 0 439.386 5.849 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(Br)cc2)cc1 ZINC000023332992 557346668 /nfs/dbraw/zinc/34/66/68/557346668.db2.gz YCUBVJXYEUKFPS-UHFFFAOYSA-N 0 0 442.357 5.583 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1 ZINC000023333227 557347103 /nfs/dbraw/zinc/34/71/03/557347103.db2.gz VESXKSBGMBVWDL-DEOSSOPVSA-N 0 0 439.481 5.351 50 0 IKAARN CCCn1cc(C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)c2ccccc21 ZINC000023333379 557347374 /nfs/dbraw/zinc/34/73/74/557347374.db2.gz PFNHCUQTIYPWDE-UHFFFAOYSA-N 0 0 431.001 5.581 50 0 IKAARN O=C(NCc1cc(Cl)cc(Cl)c1)c1cc(N2CCSCC2)nc2ccccc21 ZINC000023333463 557347376 /nfs/dbraw/zinc/34/73/76/557347376.db2.gz ABMNBWQZCUYJFK-UHFFFAOYSA-N 0 0 432.376 5.025 50 0 IKAARN COc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000023333780 557347653 /nfs/dbraw/zinc/34/76/53/557347653.db2.gz HLVRVWQXIQGYNA-VWLOTQADSA-N 0 0 449.982 5.596 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1c(F)cccc1F ZINC000023333570 557347713 /nfs/dbraw/zinc/34/77/13/557347713.db2.gz MLHYOMYLRHJJKZ-UHFFFAOYSA-N 0 0 434.508 5.210 50 0 IKAARN CCCCCn1cc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000023333826 557347945 /nfs/dbraw/zinc/34/79/45/557347945.db2.gz XACNNCXBVRZQCV-UHFFFAOYSA-N 0 0 445.028 6.053 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)NCCC2=CCCCC2)cc1 ZINC000023333927 557348001 /nfs/dbraw/zinc/34/80/01/557348001.db2.gz XDRBXOHCTHVRQF-UHFFFAOYSA-N 0 0 431.536 5.177 50 0 IKAARN CCCCC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023335610 557348273 /nfs/dbraw/zinc/34/82/73/557348273.db2.gz NGDJMEUUTWMGSL-QGZVFWFLSA-N 0 0 445.485 6.137 50 0 IKAARN COc1ccc(-c2onc3c2CCc2ccccc2-3)cc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000023336073 557348547 /nfs/dbraw/zinc/34/85/47/557348547.db2.gz BQDFMTXFBPBKKC-KRWDZBQOSA-N 0 0 432.564 6.517 50 0 IKAARN C[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc(Br)cc1 ZINC000023336385 557348763 /nfs/dbraw/zinc/34/87/63/557348763.db2.gz OHYROUGCGMKVRF-CYBMUJFWSA-N 0 0 444.350 5.440 50 0 IKAARN COc1ccc(-c2onc3c2CCC3)cc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000023336233 557348799 /nfs/dbraw/zinc/34/87/99/557348799.db2.gz FXRZIBYRLMXTHK-UHFFFAOYSA-N 0 0 434.439 5.703 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(C)c(F)c1F ZINC000023336335 557348805 /nfs/dbraw/zinc/34/88/05/557348805.db2.gz HQKCHBIDYSBBTB-UHFFFAOYSA-N 0 0 448.535 5.519 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1)n2C(C)C ZINC000023336849 557349208 /nfs/dbraw/zinc/34/92/08/557349208.db2.gz VIBPLNVVOOAKNK-UHFFFAOYSA-N 0 0 431.627 5.248 50 0 IKAARN CCCCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(CC)cc2)cc1 ZINC000023336857 557349222 /nfs/dbraw/zinc/34/92/22/557349222.db2.gz XQHIONFEWUTULM-UHFFFAOYSA-N 0 0 433.552 5.151 50 0 IKAARN CCCSc1ncccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl ZINC000023336766 557349236 /nfs/dbraw/zinc/34/92/36/557349236.db2.gz SIDVCOHZMYZMGW-UHFFFAOYSA-N 0 0 428.989 5.973 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023334602 557349373 /nfs/dbraw/zinc/34/93/73/557349373.db2.gz LRPYPEQAUBZXDR-HSZRJFAPSA-N 0 0 443.349 5.680 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cc(Cl)cnc3Cl)CC2)cc1 ZINC000023334888 557349744 /nfs/dbraw/zinc/34/97/44/557349744.db2.gz RPGPQXHUKATFRC-QFIPXVFZSA-N 0 0 440.374 5.244 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cc(Cl)cnc3Cl)CC2)cc1 ZINC000023334889 557349765 /nfs/dbraw/zinc/34/97/65/557349765.db2.gz RPGPQXHUKATFRC-JOCHJYFZSA-N 0 0 440.374 5.244 50 0 IKAARN Cc1ccc(C(C)(C)C)cc1SCc1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000023335028 557349896 /nfs/dbraw/zinc/34/98/96/557349896.db2.gz ZOFKVGLZANQRGR-UHFFFAOYSA-N 0 0 436.473 7.939 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000023335301 557350263 /nfs/dbraw/zinc/35/02/63/557350263.db2.gz SBKBAFWYXIPRFY-XMMPIXPASA-N 0 0 438.493 5.561 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023335328 557350310 /nfs/dbraw/zinc/35/03/10/557350310.db2.gz CDYZSCPKLVMTTD-APWZRJJASA-N 0 0 435.572 5.299 50 0 IKAARN O=C(c1c(Cl)cccc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023335341 557350320 /nfs/dbraw/zinc/35/03/20/557350320.db2.gz QLVDIFATVLALAE-QHCPKHFHSA-N 0 0 443.349 5.680 50 0 IKAARN O=C(c1c(Cl)cccc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023335342 557350352 /nfs/dbraw/zinc/35/03/52/557350352.db2.gz QLVDIFATVLALAE-HSZRJFAPSA-N 0 0 443.349 5.680 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023424539 557353049 /nfs/dbraw/zinc/35/30/49/557353049.db2.gz ADQNESSDVARKBU-UHFFFAOYSA-N 0 0 439.481 6.178 50 0 IKAARN CCOc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3cccs3)C2)cc1 ZINC000013562820 557353209 /nfs/dbraw/zinc/35/32/09/557353209.db2.gz CSCWVZRQWOZYAT-HXUWFJFHSA-N 0 0 427.367 6.265 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023425123 557353431 /nfs/dbraw/zinc/35/34/31/557353431.db2.gz CSKWGXZPBVQZEC-HXUWFJFHSA-N 0 0 433.573 5.769 50 0 IKAARN Fc1cc(F)c(F)c(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)c1F ZINC000023425352 557353474 /nfs/dbraw/zinc/35/34/74/557353474.db2.gz LNKBXIVCWXSYAO-UHFFFAOYSA-N 0 0 438.298 6.889 50 0 IKAARN CCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000023425841 557353508 /nfs/dbraw/zinc/35/35/08/557353508.db2.gz WWAGLQHEWHESOV-UHFFFAOYSA-N 0 0 432.351 6.128 50 0 IKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1N(CC)Cc1ccccc1 ZINC000023426937 557353716 /nfs/dbraw/zinc/35/37/16/557353716.db2.gz UGLFXKSEQGONNL-UHFFFAOYSA-N 0 0 429.442 5.366 50 0 IKAARN CCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000023427661 557353904 /nfs/dbraw/zinc/35/39/04/557353904.db2.gz JCKJURMGFNKTQJ-QHCPKHFHSA-N 0 0 430.470 5.860 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)cc1 ZINC000023428089 557353910 /nfs/dbraw/zinc/35/39/10/557353910.db2.gz HFSZLUQUAFLMNJ-QHCPKHFHSA-N 0 0 434.923 5.696 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)CC)c(-c2ccc(OC)cc2)cn1Cc1ccccc1 ZINC000023428107 557353942 /nfs/dbraw/zinc/35/39/42/557353942.db2.gz NUONEZYSYBUAMA-SFHVURJKSA-N 0 0 434.536 5.373 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023435092 557354006 /nfs/dbraw/zinc/35/40/06/557354006.db2.gz MZCUFVVAJIPLJU-HSZRJFAPSA-N 0 0 434.923 5.696 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 ZINC000023436696 557354209 /nfs/dbraw/zinc/35/42/09/557354209.db2.gz XYFJRAKENLKYTD-IBGZPJMESA-N 0 0 445.563 5.293 50 0 IKAARN O=C(C=Cc1ccccc1Cl)NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000023438145 557354628 /nfs/dbraw/zinc/35/46/28/557354628.db2.gz GCPPWOSKYIWGBK-SDNWHVSQSA-N 0 0 431.898 5.866 50 0 IKAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)cc1OC ZINC000023428262 557354832 /nfs/dbraw/zinc/35/48/32/557354832.db2.gz XMCGOZDQKCKZKW-WIYYLYMNSA-N 0 0 447.579 5.501 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)/C=C/c1ccccc1)CC2 ZINC000023428723 557354907 /nfs/dbraw/zinc/35/49/07/557354907.db2.gz IRAMJCRAOXWAEE-GIPLCNRYSA-N 0 0 433.935 5.545 50 0 IKAARN C/C=C(\C)C(=O)Nc1c(-c2ccc(OC)cc2)cn(Cc2ccccc2)c1C(=O)OCC ZINC000023429806 557355209 /nfs/dbraw/zinc/35/52/09/557355209.db2.gz GNAZQXIUYJRCSH-BLLMUTORSA-N 0 0 432.520 5.293 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n(-c2ccccc2Cl)n1 ZINC000023430904 557355380 /nfs/dbraw/zinc/35/53/80/557355380.db2.gz KNXGRVQVMWPKTA-UHFFFAOYSA-N 0 0 439.840 6.233 50 0 IKAARN CCCNC(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000023431058 557355477 /nfs/dbraw/zinc/35/54/77/557355477.db2.gz LMTQIFOXVYZXEE-UHFFFAOYSA-N 0 0 441.375 5.717 50 0 IKAARN CCCCC[C@@H](C)NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023432345 557355742 /nfs/dbraw/zinc/35/57/42/557355742.db2.gz ZFADHDYOIHXOEO-QGZVFWFLSA-N 0 0 436.552 5.626 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCC[C@H]5CCCC[C@@H]54)c3)n2)o1 ZINC000023434336 557355980 /nfs/dbraw/zinc/35/59/80/557355980.db2.gz NQOUECJARBGBCE-DVECYGJZSA-N 0 0 447.583 5.224 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N[C@@H](C)C(C)(C)C)cc2)n1 ZINC000023434716 557356022 /nfs/dbraw/zinc/35/60/22/557356022.db2.gz DIKMAGRWQSZVKO-IBGZPJMESA-N 0 0 447.579 5.497 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023448699 557356241 /nfs/dbraw/zinc/35/62/41/557356241.db2.gz FEOGNPRZYMYVAQ-UHFFFAOYSA-N 0 0 449.476 6.125 50 0 IKAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1)c1cccc(Cl)c1Cl ZINC000023448522 557356306 /nfs/dbraw/zinc/35/63/06/557356306.db2.gz BMRMOIOJYXYCJS-UHFFFAOYSA-N 0 0 440.305 6.120 50 0 IKAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023448837 557356353 /nfs/dbraw/zinc/35/63/53/557356353.db2.gz CWRDYQZHJVUSHR-NRFANRHFSA-N 0 0 439.559 5.258 50 0 IKAARN COc1ccc(CC(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023450046 557356514 /nfs/dbraw/zinc/35/65/14/557356514.db2.gz JRAMUWMRDFTEMB-UHFFFAOYSA-N 0 0 439.559 5.042 50 0 IKAARN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1)c1ccccc1 ZINC000023450159 557356533 /nfs/dbraw/zinc/35/65/33/557356533.db2.gz BAORDOTYIXUSQS-OAHLLOKOSA-N 0 0 436.342 6.542 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1ccc(F)cc1)CC2 ZINC000023449655 557356608 /nfs/dbraw/zinc/35/66/08/557356608.db2.gz IPRAWUHNCVRPSX-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1c(F)cccc1F)CC2 ZINC000023450483 557356794 /nfs/dbraw/zinc/35/67/94/557356794.db2.gz AYNWBLMTODSPFK-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023450631 557356905 /nfs/dbraw/zinc/35/69/05/557356905.db2.gz INGWLFDSRJNINN-UHFFFAOYSA-N 0 0 436.342 6.323 50 0 IKAARN Cc1ccc(C)c(CC(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1 ZINC000023450861 557356913 /nfs/dbraw/zinc/35/69/13/557356913.db2.gz KKUCOGYCWYPUPW-UHFFFAOYSA-N 0 0 437.587 5.650 50 0 IKAARN COc1cccc(CC(=O)N(Cc2nc3cc(Cl)ccc3o2)Cc2ccc(F)cc2)c1 ZINC000023451705 557357116 /nfs/dbraw/zinc/35/71/16/557357116.db2.gz NJLHJORHPGMXOJ-UHFFFAOYSA-N 0 0 438.886 5.400 50 0 IKAARN C[C@H](NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1)c1ccccc1 ZINC000023451314 557357179 /nfs/dbraw/zinc/35/71/79/557357179.db2.gz OUWWRNOWHSTHTI-INIZCTEOSA-N 0 0 435.449 6.254 50 0 IKAARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000102597354 557357559 /nfs/dbraw/zinc/35/75/59/557357559.db2.gz JABXHXFHQCVADO-GOSISDBHSA-N 0 0 425.410 5.811 50 0 IKAARN COc1ccc(CCn2c(=O)c3ccc(Cl)cc3nc2-c2cc(C)c(OC)cc2C)cc1 ZINC000023440745 557357735 /nfs/dbraw/zinc/35/77/35/557357735.db2.gz UDBFHNMNCQYTSB-UHFFFAOYSA-N 0 0 448.950 5.594 50 0 IKAARN Cc1cccc(CSc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C(C)C)c1F ZINC000023440179 557357752 /nfs/dbraw/zinc/35/77/52/557357752.db2.gz GVDZMSHUNMVJJK-UHFFFAOYSA-N 0 0 447.601 5.142 50 0 IKAARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1 ZINC000102602384 557357795 /nfs/dbraw/zinc/35/77/95/557357795.db2.gz YRJQLCBYFLJOIC-MRDQGFSESA-N 0 0 428.488 5.761 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C3CCCCC3)c2)n(-c2ccccc2OC)n1 ZINC000023441878 557357936 /nfs/dbraw/zinc/35/79/36/557357936.db2.gz YELZGQRRHJMGPP-UHFFFAOYSA-N 0 0 447.535 5.243 50 0 IKAARN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)c1 ZINC000023441133 557357964 /nfs/dbraw/zinc/35/79/64/557357964.db2.gz BLFHJOHQPXHARJ-UHFFFAOYSA-N 0 0 431.923 5.378 50 0 biogenic IKAARN COc1cc(-c2cc(C(=O)N[C@@H](C)C3CCCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000023442376 557358363 /nfs/dbraw/zinc/35/83/63/557358363.db2.gz JEBIQYZJGJOXQP-KRWDZBQOSA-N 0 0 448.563 5.626 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000023444578 557358455 /nfs/dbraw/zinc/35/84/55/557358455.db2.gz IRPUVWOAAVIAAX-HSZRJFAPSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000023444575 557358511 /nfs/dbraw/zinc/35/85/11/557358511.db2.gz IRPUVWOAAVIAAX-QHCPKHFHSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)cc(OC)c1OC ZINC000023444555 557358526 /nfs/dbraw/zinc/35/85/26/557358526.db2.gz YHXGASIMWBBFGM-QHCPKHFHSA-N 0 0 437.923 5.154 50 0 IKAARN COc1cccc(-c2c[nH]c(-c3ccc(CNC(=O)C=Cc4ccccc4Cl)cc3)n2)c1 ZINC000023445012 557358586 /nfs/dbraw/zinc/35/85/86/557358586.db2.gz PHKSAMVNEQWJBT-BUHFOSPRSA-N 0 0 443.934 5.735 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023446435 557358864 /nfs/dbraw/zinc/35/88/64/557358864.db2.gz QUPSCEINLLPBGG-FQEVSTJZSA-N 0 0 427.569 6.959 50 0 IKAARN Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000023446773 557359061 /nfs/dbraw/zinc/35/90/61/557359061.db2.gz SVGOBKCZFBTCDD-IBGZPJMESA-N 0 0 426.564 5.579 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023447433 557359087 /nfs/dbraw/zinc/35/90/87/557359087.db2.gz YGRGCXNJQSPLSU-IBGZPJMESA-N 0 0 429.951 5.944 50 0 IKAARN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023447371 557359149 /nfs/dbraw/zinc/35/91/49/557359149.db2.gz XYNGSXIZLHYYDR-UHFFFAOYSA-N 0 0 436.559 5.664 50 0 IKAARN Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000023458632 557359742 /nfs/dbraw/zinc/35/97/42/557359742.db2.gz CEEJMVFPRPALHQ-UHFFFAOYSA-N 0 0 440.499 5.331 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1ccc(C)cc1 ZINC000023458783 557359802 /nfs/dbraw/zinc/35/98/02/557359802.db2.gz KURRCTSCNBJOQF-UHFFFAOYSA-N 0 0 426.560 6.814 50 0 IKAARN CCCc1ccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023458247 557359838 /nfs/dbraw/zinc/35/98/38/557359838.db2.gz QXRBJHOAYDNCDX-UHFFFAOYSA-N 0 0 441.550 6.272 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(Cl)ccc1F)n2Cc1ccco1 ZINC000023459655 557360071 /nfs/dbraw/zinc/36/00/71/557360071.db2.gz SAFWKDXHWMVDEU-UHFFFAOYSA-N 0 0 444.915 5.939 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2)c1-c1cc(C)cc(C)c1 ZINC000023459492 557360152 /nfs/dbraw/zinc/36/01/52/557360152.db2.gz VSGVVPGVYRIJTO-UHFFFAOYSA-N 0 0 426.560 6.814 50 0 IKAARN Cc1ccc(F)cc1C(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023459215 557360166 /nfs/dbraw/zinc/36/01/66/557360166.db2.gz LUPIMMPXZOTFNK-UHFFFAOYSA-N 0 0 439.534 6.142 50 0 IKAARN COc1ccc(Cl)cc1-c1cccc(-n2cncc2C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000023460255 557360246 /nfs/dbraw/zinc/36/02/46/557360246.db2.gz KJCOVFMLLYYBBJ-FYYLOGMGSA-N 0 0 443.934 5.487 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n2Cc1cccc(F)c1 ZINC000023460455 557360302 /nfs/dbraw/zinc/36/03/02/557360302.db2.gz KWLASJAYFJQQMW-UHFFFAOYSA-N 0 0 438.499 5.832 50 0 IKAARN Cc1ccc2c(c1)c(C1CCN(S(=O)(=O)c3cccc(-c4ccccc4)c3)CC1)cn2C ZINC000023460300 557360398 /nfs/dbraw/zinc/36/03/98/557360398.db2.gz SCOXDFXJFLYLNG-UHFFFAOYSA-N 0 0 444.600 5.722 50 0 IKAARN O=C(c1cccc(F)c1F)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023460762 557360609 /nfs/dbraw/zinc/36/06/09/557360609.db2.gz KGUXXEDRVQYQOQ-UHFFFAOYSA-N 0 0 443.497 5.973 50 0 IKAARN COc1cc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)ccc1C ZINC000023460965 557360690 /nfs/dbraw/zinc/36/06/90/557360690.db2.gz IWMAXVHIYREOTP-UHFFFAOYSA-N 0 0 443.522 5.637 50 0 IKAARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000102648167 557360910 /nfs/dbraw/zinc/36/09/10/557360910.db2.gz ACWAEVCSYLUJHP-KPURRNSFSA-N 0 0 436.599 7.922 50 0 IKAARN O=C(c1csc2ccccc12)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023461085 557360971 /nfs/dbraw/zinc/36/09/71/557360971.db2.gz FSVVFNILACDEHM-VWLOTQADSA-N 0 0 447.003 6.102 50 0 IKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000102648489 557360982 /nfs/dbraw/zinc/36/09/82/557360982.db2.gz HGEXYNKJYDCORC-QFIPXVFZSA-N 0 0 429.347 6.806 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2ccccc2F)n1 ZINC000023462426 557361183 /nfs/dbraw/zinc/36/11/83/557361183.db2.gz NMDBSYFMYQLINM-UHFFFAOYSA-N 0 0 429.451 5.107 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1F)n2Cc1ccccn1 ZINC000023462173 557361218 /nfs/dbraw/zinc/36/12/18/557361218.db2.gz OYIXDSYQINQFMS-UHFFFAOYSA-N 0 0 439.487 5.227 50 0 IKAARN COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000102649816 557361338 /nfs/dbraw/zinc/36/13/38/557361338.db2.gz SFMNJJGEYIVAIA-XMMPIXPASA-N 0 0 446.547 5.922 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)n(-c3ccc(C)cc3)n2)cc1 ZINC000023462530 557361468 /nfs/dbraw/zinc/36/14/68/557361468.db2.gz FBCXYSUUKBEEFN-UHFFFAOYSA-N 0 0 435.886 5.901 50 0 IKAARN CC[C@H](C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccccc1Cl)c1ccccc1 ZINC000023453020 557361567 /nfs/dbraw/zinc/36/15/67/557361567.db2.gz JLTCFLGUSVHBNV-NRFANRHFSA-N 0 0 432.951 6.512 50 0 IKAARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3cccc(O)c3)C12 ZINC000102656987 557361680 /nfs/dbraw/zinc/36/16/80/557361680.db2.gz OCDOTKKQCJEZIH-HXUWFJFHSA-N 0 0 438.940 5.601 50 0 IKAARN COc1cccc(-c2c[nH]c(-c3cccc(CNC(=O)c4ccc(F)c(F)c4F)c3)n2)c1 ZINC000023454146 557361778 /nfs/dbraw/zinc/36/17/78/557361778.db2.gz DCYXDWQABZCSSF-UHFFFAOYSA-N 0 0 437.421 5.100 50 0 IKAARN O=C(Cc1cccs1)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023454306 557361787 /nfs/dbraw/zinc/36/17/87/557361787.db2.gz NFDVUAUHBPNSON-UHFFFAOYSA-N 0 0 427.573 5.685 50 0 IKAARN O=C(NCC(F)(F)F)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000023454206 557361795 /nfs/dbraw/zinc/36/17/95/557361795.db2.gz IBISAHPQQSTGSB-UHFFFAOYSA-N 0 0 437.421 5.624 50 0 IKAARN CSc1ccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023453599 557361883 /nfs/dbraw/zinc/36/18/83/557361883.db2.gz FNXGDXMIPBXYQP-UHFFFAOYSA-N 0 0 441.600 5.826 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000102659285 557362106 /nfs/dbraw/zinc/36/21/06/557362106.db2.gz DYFYPNDWLNTWQW-RCDICMHDSA-N 0 0 436.899 5.014 50 0 IKAARN O=C(c1cccc(F)c1F)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023455074 557362152 /nfs/dbraw/zinc/36/21/52/557362152.db2.gz HRPBECSSBHZTCS-UHFFFAOYSA-N 0 0 430.813 5.741 50 0 IKAARN O=C(Cc1cccc(F)c1)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023454771 557362160 /nfs/dbraw/zinc/36/21/60/557362160.db2.gz PBWYIJHNLKPFPG-UHFFFAOYSA-N 0 0 439.534 5.762 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C(C)C)cc3)C2)c(OC)c1 ZINC000102665279 557362351 /nfs/dbraw/zinc/36/23/51/557362351.db2.gz QPJUJBIYVDBKKG-AVRWGWEMSA-N 0 0 444.535 5.484 50 0 IKAARN COc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc(F)c(Cl)c4)cc3)n2)c1 ZINC000023455290 557362378 /nfs/dbraw/zinc/36/23/78/557362378.db2.gz ITGAADYMGAIXHV-UHFFFAOYSA-N 0 0 432.882 6.469 50 0 IKAARN COc1cccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1C ZINC000023455299 557362447 /nfs/dbraw/zinc/36/24/47/557362447.db2.gz XXSPUIHOCNKXJB-UHFFFAOYSA-N 0 0 439.559 5.421 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1cc(N2CCc3ccccc3C2)nc2ccccc21 ZINC000023455844 557362455 /nfs/dbraw/zinc/36/24/55/557362455.db2.gz UECYSOSFPNJEID-UHFFFAOYSA-N 0 0 427.935 5.381 50 0 IKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(OC)c(F)c2)cc1 ZINC000023455611 557362457 /nfs/dbraw/zinc/36/24/57/557362457.db2.gz XZRMLPQSXUJHFF-UHFFFAOYSA-N 0 0 434.467 5.135 50 0 IKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000023456017 557362466 /nfs/dbraw/zinc/36/24/66/557362466.db2.gz WFFVBWVNJTZSPD-UHFFFAOYSA-N 0 0 439.342 6.594 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102665814 557362547 /nfs/dbraw/zinc/36/25/47/557362547.db2.gz WOUXPYKSHMSUPC-RCDICMHDSA-N 0 0 436.899 5.014 50 0 IKAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023456938 557362667 /nfs/dbraw/zinc/36/26/67/557362667.db2.gz OMDOJROIGZYLNJ-JOCHJYFZSA-N 0 0 448.353 6.468 50 0 IKAARN CCc1ccccc1C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023456414 557362674 /nfs/dbraw/zinc/36/26/74/557362674.db2.gz IJXGYWADEVTFDC-UHFFFAOYSA-N 0 0 427.523 5.882 50 0 IKAARN C[C@H]1CCCN(C(=O)c2cncn2-c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)C1 ZINC000023456889 557362725 /nfs/dbraw/zinc/36/27/25/557362725.db2.gz IGVJGKALKYPDNW-NRFANRHFSA-N 0 0 437.543 6.204 50 0 IKAARN Cc1cc(C)cc(CC(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023457044 557362730 /nfs/dbraw/zinc/36/27/30/557362730.db2.gz GOILSVFGBHXBMK-UHFFFAOYSA-N 0 0 441.550 5.865 50 0 IKAARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)c1ccc(F)cc1 ZINC000023456453 557362733 /nfs/dbraw/zinc/36/27/33/557362733.db2.gz NKBCHUABJZCPCW-UHFFFAOYSA-N 0 0 426.447 5.578 50 0 IKAARN Cc1ccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c(C)c1 ZINC000023456433 557362749 /nfs/dbraw/zinc/36/27/49/557362749.db2.gz NBJIVVYRUJYMSW-UHFFFAOYSA-N 0 0 427.523 5.937 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1)c1ccccc1 ZINC000023457157 557362870 /nfs/dbraw/zinc/36/28/70/557362870.db2.gz GAZICTJHQJMYHX-XMMPIXPASA-N 0 0 425.532 5.989 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2Cc1ccccc1 ZINC000023457079 557362884 /nfs/dbraw/zinc/36/28/84/557362884.db2.gz NMTBPCWPODNWOL-UHFFFAOYSA-N 0 0 436.964 6.207 50 0 IKAARN O=C(c1csc2ccccc12)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023457362 557362940 /nfs/dbraw/zinc/36/29/40/557362940.db2.gz UMIOVUOGLZVIFL-RUZDIDTESA-N 0 0 430.548 5.588 50 0 IKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)c(Cl)c4)c3)n2)cc1 ZINC000023457671 557363298 /nfs/dbraw/zinc/36/32/98/557363298.db2.gz ABECTYHDQYQVCR-UHFFFAOYSA-N 0 0 432.882 6.469 50 0 IKAARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000102689719 557363893 /nfs/dbraw/zinc/36/38/93/557363893.db2.gz WMTVKRCQBJIXBW-SZNDQCEHSA-N 0 0 449.436 5.843 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@H]21 ZINC000102691139 557364312 /nfs/dbraw/zinc/36/43/12/557364312.db2.gz OVLGPJFWFLOUQN-HOYKHHGWSA-N 0 0 444.478 5.125 50 0 IKAARN COCCN(C)C1=Nc2ccccc2Oc2ccc(NC(=O)c3cccc(Cl)c3)cc21 ZINC000102696526 557364975 /nfs/dbraw/zinc/36/49/75/557364975.db2.gz BRPKMEMGHVYLJH-UHFFFAOYSA-N 0 0 435.911 5.355 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@]32CCOC(C)(C)C2)cc1 ZINC000102696224 557365020 /nfs/dbraw/zinc/36/50/20/557365020.db2.gz GELAIDRTICEJSY-OFNKIYASSA-N 0 0 441.369 5.586 50 0 IKAARN CCc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000102707445 557367335 /nfs/dbraw/zinc/36/73/35/557367335.db2.gz SDKLWRWAVXGWGH-GMQQYTKMSA-N 0 0 448.522 5.453 50 0 IKAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cccc(C(F)(F)F)c2)c1 ZINC000033795683 557367668 /nfs/dbraw/zinc/36/76/68/557367668.db2.gz QYFQTHKESPMIMB-UHFFFAOYSA-N 0 0 442.462 5.705 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)o1 ZINC000023601879 557368095 /nfs/dbraw/zinc/36/80/95/557368095.db2.gz AUTUACFKPYEEFJ-JTQLQIEISA-N 0 0 442.547 5.518 50 0 IKAARN CSc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C ZINC000011689935 557368142 /nfs/dbraw/zinc/36/81/42/557368142.db2.gz NYRTXEMTBBOGIU-UHFFFAOYSA-N 0 0 441.516 5.358 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3Cl)C2)cc1OC ZINC000102677900 557368195 /nfs/dbraw/zinc/36/81/95/557368195.db2.gz BLNRWUQIUHBDEJ-JLCFBVMHSA-N 0 0 436.899 5.014 50 0 IKAARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1ccco1 ZINC000102680533 557368226 /nfs/dbraw/zinc/36/82/26/557368226.db2.gz AHAKRYMTYTYSOB-CPJLOUKISA-N 0 0 428.488 6.004 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3Cl)C2)cc1OC ZINC000102677898 557368280 /nfs/dbraw/zinc/36/82/80/557368280.db2.gz BLNRWUQIUHBDEJ-RCDICMHDSA-N 0 0 436.899 5.014 50 0 IKAARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1ccco1 ZINC000102680537 557368287 /nfs/dbraw/zinc/36/82/87/557368287.db2.gz AHAKRYMTYTYSOB-PUAOIOHZSA-N 0 0 428.488 6.004 50 0 IKAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@H]4CCCc5c6ccccc6[nH]c54)c(C)c3cc12 ZINC000524729649 557368563 /nfs/dbraw/zinc/36/85/63/557368563.db2.gz BYXLYSBHLIPJKU-QFIPXVFZSA-N 0 0 440.499 5.374 50 0 biogenic IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000102683287 557368562 /nfs/dbraw/zinc/36/85/62/557368562.db2.gz QCMNZZNVOOTKIY-VPUSJEBWSA-N 0 0 444.531 5.733 50 0 IKAARN CC1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)Cc4cccs4)cc32)CC1 ZINC000102683770 557368584 /nfs/dbraw/zinc/36/85/84/557368584.db2.gz ANKYBDAQUWVAJR-UHFFFAOYSA-N 0 0 431.561 5.845 50 0 IKAARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 ZINC000102681941 557368592 /nfs/dbraw/zinc/36/85/92/557368592.db2.gz INWHOOFGASWYAH-VWLOTQADSA-N 0 0 426.516 6.694 50 0 IKAARN CC1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccccc4F)cc32)CC1 ZINC000102683780 557368609 /nfs/dbraw/zinc/36/86/09/557368609.db2.gz WCYBZGMTMCOLSP-UHFFFAOYSA-N 0 0 429.495 5.994 50 0 IKAARN Cc1occc1-c1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)[C@H](C)S2 ZINC000011690122 557369153 /nfs/dbraw/zinc/36/91/53/557369153.db2.gz OBAYWOGITOTKKC-NSHDSACASA-N 0 0 445.331 6.160 50 0 IKAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1OC ZINC000102723028 557369233 /nfs/dbraw/zinc/36/92/33/557369233.db2.gz UJNMUVXRJCPGME-ZHRRBRCNSA-N 0 0 446.503 5.617 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731164 557369402 /nfs/dbraw/zinc/36/94/02/557369402.db2.gz MFMWXCCZAQNBAA-QFIPXVFZSA-N 0 0 433.939 5.151 50 0 biogenic IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731163 557369434 /nfs/dbraw/zinc/36/94/34/557369434.db2.gz MFMWXCCZAQNBAA-JOCHJYFZSA-N 0 0 433.939 5.151 50 0 biogenic IKAARN COc1ccc(-c2csc(C3=C(N)N([C@@H](C)CCc4ccco4)CC3=O)n2)cc1OC ZINC000102724369 557369608 /nfs/dbraw/zinc/36/96/08/557369608.db2.gz VAPAQSUREMNFPB-AWEZNQCLSA-N 0 0 439.537 5.004 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Br)c1)O2 ZINC000102726996 557369951 /nfs/dbraw/zinc/36/99/51/557369951.db2.gz ANQNCBIYXZXRGW-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)c1OC ZINC000102725782 557369990 /nfs/dbraw/zinc/36/99/90/557369990.db2.gz UXSDIDRCXAHRPZ-OYHNWAKOSA-N 0 0 432.476 5.314 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)s1 ZINC000102727636 557370284 /nfs/dbraw/zinc/37/02/84/557370284.db2.gz UETCPJUTMOAIOM-XLIONFOSSA-N 0 0 426.339 5.456 50 0 IKAARN CC(C)C[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1)c1nnc2ccccn21 ZINC000524734279 557370853 /nfs/dbraw/zinc/37/08/53/557370853.db2.gz PFYNIMIZKNOSHR-SFTDATJTSA-N 0 0 435.959 5.067 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc(Br)cc4)CC3=O)n2)cc1 ZINC000102729316 557370866 /nfs/dbraw/zinc/37/08/66/557370866.db2.gz DIMXAXMBZABEOR-UHFFFAOYSA-N 0 0 442.338 5.348 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1cccc(F)c1)[C@H](C(C)C)O[C@@H](C(C)C)C2 ZINC000524733566 557371185 /nfs/dbraw/zinc/37/11/85/557371185.db2.gz VSIMABRCJHYORA-NQIIRXRSSA-N 0 0 447.572 5.540 50 0 IKAARN Cc1cccc(C)c1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102730252 557371198 /nfs/dbraw/zinc/37/11/98/557371198.db2.gz DNRSHPPENRRNNQ-AKIFATBCSA-N 0 0 432.907 5.008 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1cccc(F)c1)[C@H](C(C)C)O[C@H](C(C)C)C2 ZINC000524733567 557371203 /nfs/dbraw/zinc/37/12/03/557371203.db2.gz VSIMABRCJHYORA-RXVVDRJESA-N 0 0 447.572 5.540 50 0 IKAARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000102731202 557371425 /nfs/dbraw/zinc/37/14/25/557371425.db2.gz PFSVTUWTNIYLCO-VGSWGCGISA-N 0 0 430.460 5.083 50 0 IKAARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000102731194 557371519 /nfs/dbraw/zinc/37/15/19/557371519.db2.gz PFSVTUWTNIYLCO-VGOFRKELSA-N 0 0 430.460 5.083 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000023708786 557372016 /nfs/dbraw/zinc/37/20/16/557372016.db2.gz LOGPSDPNJFNEEN-UHFFFAOYSA-N 0 0 435.332 5.071 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102732996 557372119 /nfs/dbraw/zinc/37/21/19/557372119.db2.gz IUTLYTNICBKNHE-UBFVSLLYSA-N 0 0 440.543 5.031 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1ccc(Cl)cc1Cl ZINC000102734488 557372418 /nfs/dbraw/zinc/37/24/18/557372418.db2.gz JQLOWURVFKBEQO-UHFFFAOYSA-N 0 0 430.360 5.922 50 0 IKAARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000102734306 557372443 /nfs/dbraw/zinc/37/24/43/557372443.db2.gz VACQXHYEZVDZLT-WZONZLPQSA-N 0 0 444.487 5.386 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000102717375 557375133 /nfs/dbraw/zinc/37/51/33/557375133.db2.gz LIEWMCGEEMYSGL-DNVJHFABSA-N 0 0 432.907 5.008 50 0 IKAARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc(OC)c1O ZINC000102720018 557375619 /nfs/dbraw/zinc/37/56/19/557375619.db2.gz ZWMDKRHPXHNYDG-FPTDNZKUSA-N 0 0 448.475 5.019 50 0 IKAARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc(OC)c1O ZINC000102720015 557375763 /nfs/dbraw/zinc/37/57/63/557375763.db2.gz ZWMDKRHPXHNYDG-JLCFBVMHSA-N 0 0 448.475 5.019 50 0 IKAARN COc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000033926852 557378862 /nfs/dbraw/zinc/37/88/62/557378862.db2.gz MBAMYBUNNFFWAD-XFXZXTDPSA-N 0 0 439.627 6.818 50 0 IKAARN COCCCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1Cl ZINC000023905350 557378966 /nfs/dbraw/zinc/37/89/66/557378966.db2.gz BINPFNOIAHKKLZ-ZDUSSCGKSA-N 0 0 435.981 5.169 50 0 IKAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O ZINC000102749025 557379184 /nfs/dbraw/zinc/37/91/84/557379184.db2.gz LNTRJTHXPKASLK-ISJGIBHGSA-N 0 0 440.543 5.344 50 0 IKAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O ZINC000102749028 557379241 /nfs/dbraw/zinc/37/92/41/557379241.db2.gz LNTRJTHXPKASLK-UBFVSLLYSA-N 0 0 440.543 5.344 50 0 IKAARN FC(F)Oc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1OC(F)F ZINC000102763414 557380927 /nfs/dbraw/zinc/38/09/27/557380927.db2.gz LPYRUXFMXCHTQB-CQSZACIVSA-N 0 0 440.784 5.190 50 0 IKAARN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102763389 557380967 /nfs/dbraw/zinc/38/09/67/557380967.db2.gz IRKTWDNRKMSRGK-TWJOJJKGSA-N 0 0 434.495 5.199 50 0 IKAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000102775241 557382345 /nfs/dbraw/zinc/38/23/45/557382345.db2.gz SIEROZRAJQYOLF-QYBDOPJKSA-N 0 0 428.488 5.858 50 0 IKAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000102775243 557382349 /nfs/dbraw/zinc/38/23/49/557382349.db2.gz SIEROZRAJQYOLF-DWXRJYCRSA-N 0 0 428.488 5.858 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1cccs1 ZINC000011692012 557385136 /nfs/dbraw/zinc/38/51/36/557385136.db2.gz GWYKSCXNHCCPMB-UHFFFAOYSA-N 0 0 442.359 6.005 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccccc2)cc1 ZINC000102790312 557388391 /nfs/dbraw/zinc/38/83/91/557388391.db2.gz PVZCLABLYJNPSD-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN CCCCc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000011692205 557388417 /nfs/dbraw/zinc/38/84/17/557388417.db2.gz ASAZKRXVRXIQNF-UHFFFAOYSA-N 0 0 448.574 6.954 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000102795065 557388792 /nfs/dbraw/zinc/38/87/92/557388792.db2.gz OBJQEFCPQKPOSN-JOCHJYFZSA-N 0 0 432.321 5.863 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(F)c(Br)c3)C2)cc1 ZINC000102798497 557389132 /nfs/dbraw/zinc/38/91/32/557389132.db2.gz BTDIEAFOKVERSA-QFIPXVFZSA-N 0 0 434.312 6.302 50 0 IKAARN O=C(Nc1nccs1)c1ccc2c(c1)CC(c1ccccc1)(c1ccccc1)OC2=O ZINC000011692953 557389682 /nfs/dbraw/zinc/38/96/82/557389682.db2.gz JLTQXBBGHJALMF-UHFFFAOYSA-N 0 0 426.497 5.052 50 0 IKAARN N=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ncc(Cc2cccc3ccccc32)s1 ZINC000011692941 557389780 /nfs/dbraw/zinc/38/97/80/557389780.db2.gz QLTNIGLDLZVWSU-NRFANRHFSA-N 0 0 429.570 5.513 50 0 IKAARN COC(=O)[C@@H]1C(C)=C(c2ccccc2)S[C@@]1(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000050538986 557390384 /nfs/dbraw/zinc/39/03/84/557390384.db2.gz NUQHBZPRXOLJTQ-NVQXNPDNSA-N 0 0 426.541 5.774 50 0 IKAARN COc1ccc(C(=O)CSc2nc(CC(=O)Nc3cccc(SC)c3)cs2)cc1 ZINC000011695025 557392976 /nfs/dbraw/zinc/39/29/76/557392976.db2.gz BVGRZBUVWYOVTL-UHFFFAOYSA-N 0 0 444.603 5.030 50 0 IKAARN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc2ccccc21 ZINC000013892805 557393069 /nfs/dbraw/zinc/39/30/69/557393069.db2.gz UECOSOLTIMAGLM-UHFFFAOYSA-N 0 0 439.565 6.243 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000102830455 557394030 /nfs/dbraw/zinc/39/40/30/557394030.db2.gz MIEJPGXSMSNVDK-CZBGHURDSA-N 0 0 440.341 5.416 50 0 IKAARN CCN1c2ccccc2S/C1=C/c1c(/C=C2/Sc3ccccc3N2CC)c(=O)c1=O ZINC000102846986 557394463 /nfs/dbraw/zinc/39/44/63/557394463.db2.gz GCSGCKQJUNHUGG-VOKWCDJLSA-N 0 0 432.570 5.144 50 0 IKAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccccc1)CC(=O)O3 ZINC000072404467 557395943 /nfs/dbraw/zinc/39/59/43/557395943.db2.gz OUITXBPQJQRTKX-GOIQZJDBSA-N 0 0 448.515 5.315 50 0 IKAARN Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCCCCC3)c(Cl)nc2c1 ZINC000033435692 557397901 /nfs/dbraw/zinc/39/79/01/557397901.db2.gz ZIBMFSWINWOURJ-QJOMJCCJSA-N 0 0 447.966 5.370 50 0 IKAARN CCCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102859549 557399436 /nfs/dbraw/zinc/39/94/36/557399436.db2.gz SWKZQCSMBQILNV-HHHXNRCGSA-N 0 0 432.608 7.744 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)CC(C)(C)C)C(C)C)s1 ZINC000004875996 557400150 /nfs/dbraw/zinc/40/01/50/557400150.db2.gz JUDKDBXIFVGZKR-UHFFFAOYSA-N 0 0 432.605 5.398 50 0 IKAARN COc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1Br ZINC000033473240 557401064 /nfs/dbraw/zinc/40/10/64/557401064.db2.gz GKFMRMPCKSKSNT-UVTDQMKNSA-N 0 0 447.332 5.636 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000033477943 557401218 /nfs/dbraw/zinc/40/12/18/557401218.db2.gz VTRQQXHTIJCSOL-HSZRJFAPSA-N 0 0 427.491 6.112 50 0 IKAARN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000033496977 557402081 /nfs/dbraw/zinc/40/20/81/557402081.db2.gz QYYUBBCGNWCLSQ-SREVYHEPSA-N 0 0 442.894 5.932 50 0 IKAARN Cc1ccc(NC(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000033502932 557402531 /nfs/dbraw/zinc/40/25/31/557402531.db2.gz GAIYMTSLOFJPDQ-PXLXIMEGSA-N 0 0 445.519 5.250 50 0 IKAARN Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000004903299 557402657 /nfs/dbraw/zinc/40/26/57/557402657.db2.gz VNCZCJCLOVDFEB-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000100429580 557402664 /nfs/dbraw/zinc/40/26/64/557402664.db2.gz QPJOZWQOFMZQPP-DNOBIOAJSA-N 0 0 442.515 6.248 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100429666 557402745 /nfs/dbraw/zinc/40/27/45/557402745.db2.gz DYWAUUYYCXLNMX-MRDQGFSESA-N 0 0 446.934 6.893 50 0 IKAARN Cc1cccc(Cn2cccc2CN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](C)C(C)C)c1 ZINC000033507219 557403016 /nfs/dbraw/zinc/40/30/16/557403016.db2.gz WZIVNKKXTUGANE-HXUWFJFHSA-N 0 0 442.525 6.551 50 0 IKAARN Cc1cccc(Cn2cccc2CN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C(C)C)c1 ZINC000033507221 557403070 /nfs/dbraw/zinc/40/30/70/557403070.db2.gz WZIVNKKXTUGANE-FQEVSTJZSA-N 0 0 442.525 6.551 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1C ZINC000004903359 557403073 /nfs/dbraw/zinc/40/30/73/557403073.db2.gz RPCGJJVGQBZWLJ-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000004910635 557403720 /nfs/dbraw/zinc/40/37/20/557403720.db2.gz AOYHPNLPVXSUMB-UHFFFAOYSA-N 0 0 425.532 5.658 50 0 IKAARN CC(C)(C)c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000102864607 557404045 /nfs/dbraw/zinc/40/40/45/557404045.db2.gz JWIFDSHQTVANIX-VWLOTQADSA-N 0 0 446.635 7.859 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1cn(C)c2ccccc12)C1CCCCC1 ZINC000004912483 557404242 /nfs/dbraw/zinc/40/42/42/557404242.db2.gz HTCSBDKZYJNYBF-UHFFFAOYSA-N 0 0 426.029 6.672 50 0 IKAARN CC[C@H](C(=O)NC1CCCCC1)n1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000004914337 557404265 /nfs/dbraw/zinc/40/42/65/557404265.db2.gz BQFVDBOGHQBDCY-HXUWFJFHSA-N 0 0 426.561 5.263 50 0 aggregator IKAARN CC[C@@H](C(=O)NC1CCCCC1)n1c2cnccc2nc1SCc1cccc(F)c1 ZINC000004914166 557404331 /nfs/dbraw/zinc/40/43/31/557404331.db2.gz FZXYTJNNNPRAHE-FQEVSTJZSA-N 0 0 426.561 5.263 50 0 aggregator IKAARN CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000102877359 557406655 /nfs/dbraw/zinc/40/66/55/557406655.db2.gz HZYPSYKSPBDQBY-AREMUKBSSA-N 0 0 448.563 6.296 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000102878255 557407035 /nfs/dbraw/zinc/40/70/35/557407035.db2.gz TVTRBAXBXFBBBM-RUZDIDTESA-N 0 0 434.536 5.906 50 0 IKAARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 ZINC000102883123 557408745 /nfs/dbraw/zinc/40/87/45/557408745.db2.gz LESDLZRFYNUMDI-RUZDIDTESA-N 0 0 448.563 6.152 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000102925161 557409650 /nfs/dbraw/zinc/40/96/50/557409650.db2.gz ITDRVXPRQKGHKR-IBGZPJMESA-N 0 0 445.544 6.113 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)NCCCc3ccccc3)c2C)c1-c1ccccc1 ZINC000004935762 557411084 /nfs/dbraw/zinc/41/10/84/557411084.db2.gz FYHZNMWOGHDMIZ-UHFFFAOYSA-N 0 0 426.564 5.003 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)C(N(CC)CC)=Nc1ccccc1O2)c1ccccc1 ZINC000102903465 557411684 /nfs/dbraw/zinc/41/16/84/557411684.db2.gz SRNDWRMTPVYWMP-NRFANRHFSA-N 0 0 427.548 6.345 50 0 IKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000102933300 557413126 /nfs/dbraw/zinc/41/31/26/557413126.db2.gz HGTCXHGGZFYUJS-QFIPXVFZSA-N 0 0 429.347 6.806 50 0 IKAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000408525631 557414200 /nfs/dbraw/zinc/41/42/00/557414200.db2.gz LXHATTFCJWHYEC-NRFANRHFSA-N 0 0 445.371 5.842 50 0 IKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000102969892 557414270 /nfs/dbraw/zinc/41/42/70/557414270.db2.gz CNYUPWKSMXDAJH-MHZLTWQESA-N 0 0 446.591 7.068 50 0 IKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000102969909 557414320 /nfs/dbraw/zinc/41/43/20/557414320.db2.gz ZTSRWDCYWYGWBV-SANMLTNESA-N 0 0 446.547 6.398 50 0 IKAARN Cc1cccc(OCC(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1 ZINC000003162581 557414324 /nfs/dbraw/zinc/41/43/24/557414324.db2.gz OBHDROYMKKQWGR-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000004951522 557414822 /nfs/dbraw/zinc/41/48/22/557414822.db2.gz IIZNEQLGZAAGFS-NBGIEHNGSA-N 0 0 427.610 6.065 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(F)cc1 ZINC000036105496 557416223 /nfs/dbraw/zinc/41/62/23/557416223.db2.gz AURUZLXWDFKLKR-HNNXBMFYSA-N 0 0 432.948 5.956 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=N[C@H](C)C2=O)cc1 ZINC000004972155 557421356 /nfs/dbraw/zinc/42/13/56/557421356.db2.gz MCBOTZVDNGCTOF-LJQANCHMSA-N 0 0 425.532 5.021 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000526052160 557422468 /nfs/dbraw/zinc/42/24/68/557422468.db2.gz ALVKWLWWKKAKJH-UHFFFAOYSA-N 0 0 449.732 5.246 50 0 IKAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000526052250 557422485 /nfs/dbraw/zinc/42/24/85/557422485.db2.gz KCYRFNSTCXJERK-RUZDIDTESA-N 0 0 448.526 6.079 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(C3C(=O)N(c4ccc(C)cc4)N=C3C(C)C)cc2)cc1 ZINC000103155618 557424503 /nfs/dbraw/zinc/42/45/03/557424503.db2.gz NVHVTBDRVFTFJS-UHFFFAOYSA-N 0 0 425.532 6.237 50 0 IKAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000033627702 557425123 /nfs/dbraw/zinc/42/51/23/557425123.db2.gz JMORLFANZVTEEF-UHFFFAOYSA-N 0 0 440.490 6.064 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(SC)cc2)c1 ZINC000103177088 557425671 /nfs/dbraw/zinc/42/56/71/557425671.db2.gz WOAILKNGXYOOAL-DHLKQENFSA-N 0 0 432.545 5.668 50 0 IKAARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 ZINC000103450751 557437406 /nfs/dbraw/zinc/43/74/06/557437406.db2.gz RENLHQBTYTUIPA-UZTOHYMASA-N 0 0 427.548 6.755 50 0 IKAARN Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2c(Cl)cccc2Cl)c1 ZINC000103623892 557439210 /nfs/dbraw/zinc/43/92/10/557439210.db2.gz GYMWRBBLYVPHJF-RUZDIDTESA-N 0 0 443.393 6.848 50 0 IKAARN Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@H]1c1cccc(Cl)c1 ZINC000103623936 557439238 /nfs/dbraw/zinc/43/92/38/557439238.db2.gz FVJGOKWGIRQZJU-XMMPIXPASA-N 0 0 429.366 6.539 50 0 IKAARN Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@H](c2ccccc2)C(=O)[C@H]1c1ccccc1 ZINC000103586347 557439881 /nfs/dbraw/zinc/43/98/81/557439881.db2.gz GLGDFPUNSJTPGO-GCXHJFECSA-N 0 0 431.579 6.826 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)[C@H]1C ZINC000103670466 557440051 /nfs/dbraw/zinc/44/00/51/557440051.db2.gz LMGHQHYNGFHAHX-RVKKMQEKSA-N 0 0 440.588 5.141 50 0 IKAARN Cn1c2ccc(Br)cc2s/c1=N/C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000103667295 557440106 /nfs/dbraw/zinc/44/01/06/557440106.db2.gz UEGJGULBBQQIKX-XTQSDGFTSA-N 0 0 439.334 5.536 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)[C@H]1C ZINC000103750169 557441504 /nfs/dbraw/zinc/44/15/04/557441504.db2.gz BTOISCSJPQZRNJ-JTDSTZFVSA-N 0 0 441.959 5.209 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1Cl ZINC000103893233 557442342 /nfs/dbraw/zinc/44/23/42/557442342.db2.gz WNGZIEJXKZXDST-DEOSSOPVSA-N 0 0 447.356 6.597 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000103887275 557442632 /nfs/dbraw/zinc/44/26/32/557442632.db2.gz QHYXKGQSEWGZKF-QEEYODRMSA-N 0 0 431.001 6.004 50 0 IKAARN Cc1cccn2c(NC(=O)CCc3ncc(-c4ccccc4F)o3)c(-c3ccccc3)nc12 ZINC000014780162 557449398 /nfs/dbraw/zinc/44/93/98/557449398.db2.gz TVZHTARRGKEHTH-UHFFFAOYSA-N 0 0 440.478 5.675 50 0 IKAARN CSCC[C@@H](NC(=O)c1nc(C)sc1Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000223235296 557449477 /nfs/dbraw/zinc/44/94/77/557449477.db2.gz ZWEXAFZOKZXAJO-LJQANCHMSA-N 0 0 436.606 5.143 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccccc1 ZINC000104171813 557452243 /nfs/dbraw/zinc/45/22/43/557452243.db2.gz TWLBOFDAPGQBON-UZTOHYMASA-N 0 0 426.491 6.396 50 0 IKAARN C/C(=C/c1ccccc1)[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000104240504 557453862 /nfs/dbraw/zinc/45/38/62/557453862.db2.gz BAQVUCVADXCJET-DPSOFRBRSA-N 0 0 434.543 6.123 50 0 IKAARN CCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)c1 ZINC000104328269 557454189 /nfs/dbraw/zinc/45/41/89/557454189.db2.gz FZCCBIFAKAVJIQ-UHFFFAOYSA-N 0 0 447.966 5.553 50 0 IKAARN Cc1nc(CSC2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cs1 ZINC000104367825 557454878 /nfs/dbraw/zinc/45/48/78/557454878.db2.gz NVSNFPGIDVAUPZ-DJKKODMXSA-N 0 0 449.557 5.166 50 0 IKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Nc2ccc(C)c(C)c2)cc1 ZINC000100895196 557454914 /nfs/dbraw/zinc/45/49/14/557454914.db2.gz ASSHQIKRUKGRAH-UHFFFAOYSA-N 0 0 436.508 5.576 50 0 IKAARN C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)C[C@H]1C ZINC000104755603 557460726 /nfs/dbraw/zinc/46/07/26/557460726.db2.gz QBAUIECIDKYOAY-ZDYLULOYSA-N 0 0 444.641 5.698 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000015906118 557466295 /nfs/dbraw/zinc/46/62/95/557466295.db2.gz URCYLZKABXHHDE-FMIVXFBMSA-N 0 0 447.343 5.446 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@H](C)c2ccccc2)n1 ZINC000104966338 557469822 /nfs/dbraw/zinc/46/98/22/557469822.db2.gz CWTKERSXQYGZCC-DLBZAZTESA-N 0 0 427.495 5.245 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000016193319 557470466 /nfs/dbraw/zinc/47/04/66/557470466.db2.gz QYIVLHQNRWQVCZ-MOSHPQCFSA-N 0 0 447.874 5.221 50 0 IKAARN C[C@@H]1CCCN(c2cc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)c3ccccc3n2)C1 ZINC000105076993 557475629 /nfs/dbraw/zinc/47/56/29/557475629.db2.gz VZEOOXZMDNJXFR-SKCUWOTOSA-N 0 0 449.598 6.185 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000017095615 557486464 /nfs/dbraw/zinc/48/64/64/557486464.db2.gz CRFVLSBQDFDHQK-UHFFFAOYSA-N 0 0 427.751 5.018 50 0 IKAARN CC(C)(C)c1ccc(OCCn2c3ccccc3n3c2nnc(-c2cccs2)c3=O)cc1 ZINC000051325916 557497050 /nfs/dbraw/zinc/49/70/50/557497050.db2.gz FFSKGRYXAORXRZ-UHFFFAOYSA-N 0 0 444.560 5.149 50 0 IKAARN O=C1CSC2=N[C@@H]3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@@H](c3ccc(Cl)cc3)N12 ZINC000051329851 557497319 /nfs/dbraw/zinc/49/73/19/557497319.db2.gz MLJGGZQKISBLGP-XRDOFBCLSA-N 0 0 443.399 6.232 50 0 IKAARN COc1ccc(COc2cccc(Nc3ccnc4cc(Br)sc43)c2)cc1 ZINC000149516942 557497498 /nfs/dbraw/zinc/49/74/98/557497498.db2.gz XKVMMXOPGCYSIB-UHFFFAOYSA-N 0 0 441.350 6.390 50 0 IKAARN COc1ccccc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019898913 557498646 /nfs/dbraw/zinc/49/86/46/557498646.db2.gz LKDWIBJAODAFFN-OFNKIYASSA-N 0 0 425.315 6.244 50 0 IKAARN CC(=O)c1sc(N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)nc1C ZINC000051330464 557507235 /nfs/dbraw/zinc/50/72/35/557507235.db2.gz LWCCFKSLVJUWCE-CBPOSLDBSA-N 0 0 427.573 6.455 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000046891401 557512953 /nfs/dbraw/zinc/51/29/53/557512953.db2.gz YALJPFVRCGQXAJ-NEPJUHHUSA-N 0 0 425.278 5.149 50 0 IKAARN Fc1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 ZINC000036611537 557516891 /nfs/dbraw/zinc/51/68/91/557516891.db2.gz HQVXARQZFQIUCW-UHFFFAOYSA-N 0 0 431.725 7.365 50 0 IKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccc(-c2ccno2)cc1 ZINC000036616928 557517490 /nfs/dbraw/zinc/51/74/90/557517490.db2.gz FYUFEPHZGBHEDD-UHFFFAOYSA-N 0 0 437.503 5.642 50 0 IKAARN CN(C1CCCCC1)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000003164351 557523256 /nfs/dbraw/zinc/52/32/56/557523256.db2.gz SCCMOPAFALVGBK-JUKYZOBSSA-N 0 0 434.347 8.004 50 0 IKAARN O=C(Oc1c(/C=C2/N=C3CCCCCN3C2=O)ccc2ccccc21)c1ccccc1Cl ZINC000003172600 557523290 /nfs/dbraw/zinc/52/32/90/557523290.db2.gz AAAUZFJKYALZHZ-CJLVFECKSA-N 0 0 444.918 5.868 50 0 IKAARN CCCN(CCC)C(=O)/C(=C/c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1 ZINC000003211351 557523513 /nfs/dbraw/zinc/52/35/13/557523513.db2.gz LEGBAZQWQJRAQX-LKUDQCMESA-N 0 0 449.541 7.144 50 0 IKAARN CC(C)(C)c1cc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)cc(C(C)(C)C)c1 ZINC000003198975 557523533 /nfs/dbraw/zinc/52/35/33/557523533.db2.gz QSBVYHMCRVYXSQ-MDZDMXLPSA-N 0 0 443.513 6.508 50 0 IKAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003283185 557523676 /nfs/dbraw/zinc/52/36/76/557523676.db2.gz VEWRKHRFVPQJNO-FPYGCLRLSA-N 0 0 449.759 5.155 50 0 IKAARN Cc1oc2cc(OCC(=O)c3ccc(Cl)s3)ccc2c(=O)c1-c1ccccc1Cl ZINC000003306049 557524477 /nfs/dbraw/zinc/52/44/77/557524477.db2.gz QELBGQSBWLNPOV-UHFFFAOYSA-N 0 0 445.323 6.398 50 0 IKAARN O=C(c1nn(-c2ccccc2)cc1/C=C1\C(=O)Nc2ccc(Cl)cc21)c1ccccc1 ZINC000003328996 557525171 /nfs/dbraw/zinc/52/51/71/557525171.db2.gz PVBNHMFCWYZWCC-BKUYFWCQSA-N 0 0 425.875 5.249 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(SC)cc3)C2)c2ccccc12 ZINC000012039849 557525188 /nfs/dbraw/zinc/52/51/88/557525188.db2.gz XIOSLFFWDWFRFP-QGZVFWFLSA-N 0 0 434.561 5.061 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000012062692 557525815 /nfs/dbraw/zinc/52/58/15/557525815.db2.gz ARJBSKWFKGMPLL-DEOSSOPVSA-N 0 0 438.527 5.852 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000012062693 557525864 /nfs/dbraw/zinc/52/58/64/557525864.db2.gz ARJBSKWFKGMPLL-XMMPIXPASA-N 0 0 438.527 5.852 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 ZINC000012062108 557526373 /nfs/dbraw/zinc/52/63/73/557526373.db2.gz IIADXAILRDKHTB-OAQYLSRUSA-N 0 0 425.532 5.198 50 0 IKAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)cc1 ZINC000012062330 557526426 /nfs/dbraw/zinc/52/64/26/557526426.db2.gz UPQVSBKHPVWVKE-UHFFFAOYSA-N 0 0 425.598 5.161 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)cc3C)C2)cc1 ZINC000106389774 557528474 /nfs/dbraw/zinc/52/84/74/557528474.db2.gz QXGOSPCQILIKKQ-FGZHOGPDSA-N 0 0 444.579 5.288 50 0 IKAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000106420269 557529260 /nfs/dbraw/zinc/52/92/60/557529260.db2.gz GGDLDPVVVMGQCW-AVBTWRTFSA-N 0 0 448.592 5.068 50 0 IKAARN Cn1cc([C@@H](CC(=O)NC[C@@]2(C)CCCO2)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000106798167 557532710 /nfs/dbraw/zinc/53/27/10/557532710.db2.gz USWWPCPQXBBLEU-MHECFPHRSA-N 0 0 445.390 5.692 50 0 IKAARN COc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000106937237 557533884 /nfs/dbraw/zinc/53/38/84/557533884.db2.gz BMTFTLPUQWJZKN-NFBKMPQASA-N 0 0 425.315 6.244 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(F)ccc2Cl)cc1 ZINC000106937286 557533899 /nfs/dbraw/zinc/53/38/99/557533899.db2.gz WHKFWYWQPHNMPH-UNMCSNQZSA-N 0 0 431.269 6.514 50 0 IKAARN COc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000106937236 557533906 /nfs/dbraw/zinc/53/39/06/557533906.db2.gz BMTFTLPUQWJZKN-OFNKIYASSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000106937318 557533996 /nfs/dbraw/zinc/53/39/96/557533996.db2.gz PLPOQLSFCNESQK-QPPBQGQZSA-N 0 0 447.332 5.510 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000106937308 557534006 /nfs/dbraw/zinc/53/40/06/557534006.db2.gz PXJJKLJKCJJZCP-KCWPFWIISA-N 0 0 436.536 6.168 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(F)ccc2Cl)cc1 ZINC000106937288 557534040 /nfs/dbraw/zinc/53/40/40/557534040.db2.gz WHKFWYWQPHNMPH-IRLDBZIGSA-N 0 0 431.269 6.514 50 0 IKAARN CCOc1cc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)cc(OCC)c1OCC ZINC000211141066 557534317 /nfs/dbraw/zinc/53/43/17/557534317.db2.gz DNGGTYMFRJMFAN-JOCHJYFZSA-N 0 0 429.582 5.203 50 0 IKAARN Cc1ccccc1CSc1nc2n(n1)[C@H](CC(C)C)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 ZINC000107173590 557535107 /nfs/dbraw/zinc/53/51/07/557535107.db2.gz ZCKMQPYCNDOJTK-STZQEDGTSA-N 0 0 449.624 5.535 50 0 IKAARN Cc1ccccc1CSc1nc2n(n1)[C@@H](CC(C)C)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 ZINC000107173588 557535116 /nfs/dbraw/zinc/53/51/16/557535116.db2.gz ZCKMQPYCNDOJTK-COPCDDAFSA-N 0 0 449.624 5.535 50 0 IKAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc21)[C@@H]1C[C@H]1C ZINC000107508378 557536165 /nfs/dbraw/zinc/53/61/65/557536165.db2.gz GTPJOUCVMBDGOE-MSZSIXEZSA-N 0 0 446.616 5.593 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(CC)cc2)cc1 ZINC000085808450 557536729 /nfs/dbraw/zinc/53/67/29/557536729.db2.gz NZBRMLNAEVWRJL-UHFFFAOYSA-N 0 0 427.504 6.218 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@@H](/C=C\c2ccccc2)C1 ZINC000107767677 557536802 /nfs/dbraw/zinc/53/68/02/557536802.db2.gz JECFLWYVNMSGND-ZQGDAAQZSA-N 0 0 425.919 5.628 50 0 IKAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000044803731 557537409 /nfs/dbraw/zinc/53/74/09/557537409.db2.gz KATSPWMDYAOCDT-HNNXBMFYSA-N 0 0 442.922 5.066 50 0 IKAARN CCCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)sc1N[C@@H]1OC(=O)c2ccccc21 ZINC000044827163 557537425 /nfs/dbraw/zinc/53/74/25/557537425.db2.gz SITVYJRNYNQYDU-GOSISDBHSA-N 0 0 445.537 5.250 50 0 IKAARN O=C(NCc1ccccc1)c1cc2cc(NC(=O)C3CC3)ccc2n1Cc1cccc(F)c1 ZINC000044854644 557537721 /nfs/dbraw/zinc/53/77/21/557537721.db2.gz HAFUTSDEYOHBFO-UHFFFAOYSA-N 0 0 441.506 5.107 50 0 IKAARN CC(C)C(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000044854851 557537754 /nfs/dbraw/zinc/53/77/54/557537754.db2.gz SSEDKFFHBVSQKS-MRXNPFEDSA-N 0 0 439.770 5.825 50 0 IKAARN O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)NCCc1c[nH]c2ccccc12 ZINC000044900760 557540070 /nfs/dbraw/zinc/54/00/70/557540070.db2.gz CTMVMVAJAQUAMZ-UHFFFAOYSA-N 0 0 437.543 5.451 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000044918650 557540735 /nfs/dbraw/zinc/54/07/35/557540735.db2.gz MWCDKRKPXPAYSC-XMMPIXPASA-N 0 0 445.563 5.079 50 0 IKAARN Cn1c(CCc2ccc(NC(=O)c3n[nH]c4c3CCc3ccccc3-4)cc2)nc2ccccc21 ZINC000045901811 557546796 /nfs/dbraw/zinc/54/67/96/557546796.db2.gz DZRMXFRUWFJUDS-UHFFFAOYSA-N 0 0 447.542 5.100 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000045900526 557547009 /nfs/dbraw/zinc/54/70/09/557547009.db2.gz QLHQHIOVNDZLFT-UHFFFAOYSA-N 0 0 443.290 5.203 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000045921398 557547381 /nfs/dbraw/zinc/54/73/81/557547381.db2.gz BZDSLVXGSQUEBG-HXUWFJFHSA-N 0 0 446.620 5.073 50 0 IKAARN COc1ccc(NC(=O)c2sc3c(cnc4ccccc34)c2-c2ccc(C)c(C)c2)cc1 ZINC000045922321 557547830 /nfs/dbraw/zinc/54/78/30/557547830.db2.gz LYSJXAYDDIALJA-UHFFFAOYSA-N 0 0 438.552 6.994 50 0 IKAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000045922657 557547874 /nfs/dbraw/zinc/54/78/74/557547874.db2.gz HSSSXAJRORAVCF-UHFFFAOYSA-N 0 0 430.810 5.884 50 0 IKAARN CCc1ccc(Cn2c(SCc3ccccc3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045923918 557548203 /nfs/dbraw/zinc/54/82/03/557548203.db2.gz QWIRNMUYEGUGIO-UHFFFAOYSA-N 0 0 443.597 5.909 50 0 IKAARN CCCCSc1nc2c3cccnc3sc2c(=O)n1Cc1ccccc1OCC ZINC000045924046 557548211 /nfs/dbraw/zinc/54/82/11/557548211.db2.gz MIZQSHNHRKCKHC-UHFFFAOYSA-N 0 0 425.579 5.345 50 0 IKAARN Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2)n1 ZINC000045939286 557548413 /nfs/dbraw/zinc/54/84/13/557548413.db2.gz QAVGNQJNEBEUMB-UHFFFAOYSA-N 0 0 446.557 5.157 50 0 IKAARN CCCCSc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)n(C)c(=O)n2C ZINC000045940843 557549303 /nfs/dbraw/zinc/54/93/03/557549303.db2.gz NQGXJEMTJOZOBC-UHFFFAOYSA-N 0 0 425.598 5.319 50 0 IKAARN CCn1c2cc(NC(=O)c3cccc(C)c3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940822 557549344 /nfs/dbraw/zinc/54/93/44/557549344.db2.gz FDTOACVOGVSGTO-UHFFFAOYSA-N 0 0 431.561 5.555 50 0 IKAARN Cc1ccc(C)c(CSc2nnc3n2c2ccsc2c(=O)n3Cc2cccs2)c1 ZINC000045924503 557549467 /nfs/dbraw/zinc/54/94/67/557549467.db2.gz HHGIPLWJFHASHZ-UHFFFAOYSA-N 0 0 438.603 5.125 50 0 IKAARN CCc1ccc(Cn2c3nnc(SCc4ccccc4C)n3c3ccsc3c2=O)cc1 ZINC000045924574 557549511 /nfs/dbraw/zinc/54/95/11/557549511.db2.gz MVRAXQJKINUEAP-UHFFFAOYSA-N 0 0 446.601 5.317 50 0 IKAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccccc4OC)oc3C)n2)c1 ZINC000045924793 557549890 /nfs/dbraw/zinc/54/98/90/557549890.db2.gz WPYQBZLXTKOULP-UHFFFAOYSA-N 0 0 435.505 5.122 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@@H]2c2ccc(F)c(Cl)c2)cc1 ZINC000045928527 557550591 /nfs/dbraw/zinc/55/05/91/557550591.db2.gz JPBBZGHSTWLSCA-QFIPXVFZSA-N 0 0 441.861 5.680 50 0 IKAARN CCc1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941528 557551099 /nfs/dbraw/zinc/55/10/99/557551099.db2.gz RQOGXESTLDCSMV-VWLOTQADSA-N 0 0 429.516 5.319 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941501 557551138 /nfs/dbraw/zinc/55/11/38/557551138.db2.gz FOARJCBKELRYME-SANMLTNESA-N 0 0 427.544 6.180 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941723 557551333 /nfs/dbraw/zinc/55/13/33/557551333.db2.gz XXICDTAHQNUIPW-VWLOTQADSA-N 0 0 431.507 6.011 50 0 IKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccccc2Br)C1c1ccccc1 ZINC000045941727 557551362 /nfs/dbraw/zinc/55/13/62/557551362.db2.gz WQWVXMXTPXYOJW-NRFANRHFSA-N 0 0 438.296 5.641 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942187 557551746 /nfs/dbraw/zinc/55/17/46/557551746.db2.gz JIKRJXNPDICRJA-HSZRJFAPSA-N 0 0 435.520 5.609 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)c(OC)c1 ZINC000045942139 557551789 /nfs/dbraw/zinc/55/17/89/557551789.db2.gz AALPHYFINLBOPO-SANMLTNESA-N 0 0 443.543 5.880 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2Br)cc1 ZINC000045942470 557551888 /nfs/dbraw/zinc/55/18/88/557551888.db2.gz VEZLVTVVFOKTAE-QFIPXVFZSA-N 0 0 434.333 6.123 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045942330 557551930 /nfs/dbraw/zinc/55/19/30/557551930.db2.gz HGQWXSAZURVYTN-QHCPKHFHSA-N 0 0 433.891 5.430 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000045942466 557551946 /nfs/dbraw/zinc/55/19/46/557551946.db2.gz CUVYJKFHPAMDFW-QFIPXVFZSA-N 0 0 434.333 6.123 50 0 IKAARN COc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000045942543 557551952 /nfs/dbraw/zinc/55/19/52/557551952.db2.gz SZBIAEOFPXAZPR-NRFANRHFSA-N 0 0 436.305 5.515 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942273 557551971 /nfs/dbraw/zinc/55/19/71/557551971.db2.gz QUOQMUGKQMKEHH-RUZDIDTESA-N 0 0 431.963 6.825 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000045943196 557552165 /nfs/dbraw/zinc/55/21/65/557552165.db2.gz IKFRSFDALWCSKG-UHFFFAOYSA-N 0 0 426.969 5.568 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000045943239 557552342 /nfs/dbraw/zinc/55/23/42/557552342.db2.gz YXGVUEDLDDYTCF-UHFFFAOYSA-N 0 0 437.746 5.797 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000045943359 557552348 /nfs/dbraw/zinc/55/23/48/557552348.db2.gz SXRYJCCFDDEQJF-UHFFFAOYSA-N 0 0 431.355 5.958 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000045943376 557552369 /nfs/dbraw/zinc/55/23/69/557552369.db2.gz YVOBUUMJCKEZKB-UHFFFAOYSA-N 0 0 431.355 5.760 50 0 IKAARN C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccc(F)cc1 ZINC000045943404 557552384 /nfs/dbraw/zinc/55/23/84/557552384.db2.gz GZZHVCYKIZCODI-LBPRGKRZSA-N 0 0 435.318 5.040 50 0 IKAARN C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccc(F)cc1 ZINC000045943405 557552627 /nfs/dbraw/zinc/55/26/27/557552627.db2.gz GZZHVCYKIZCODI-GFCCVEGCSA-N 0 0 435.318 5.040 50 0 IKAARN O=C(NCCCc1ccccc1)c1sc2c(cnc3ccc(F)cc23)c1-c1ccccc1 ZINC000045943923 557552641 /nfs/dbraw/zinc/55/26/41/557552641.db2.gz COBXFZXOYDKMKW-UHFFFAOYSA-N 0 0 440.543 6.618 50 0 IKAARN CCOc1ccc2ncc3c(sc(C(=O)NCCCOC)c3-c3ccc(C)cc3)c2c1 ZINC000045943837 557552646 /nfs/dbraw/zinc/55/26/46/557552646.db2.gz CNYOOJVVIUYZNV-UHFFFAOYSA-N 0 0 434.561 5.590 50 0 IKAARN CCOc1ccc2ncc3c(sc(C(=O)NC[C@@H]4CCCO4)c3-c3ccc(C)cc3)c2c1 ZINC000045943833 557552656 /nfs/dbraw/zinc/55/26/56/557552656.db2.gz OQZSJCRGZTXDCR-IBGZPJMESA-N 0 0 446.572 5.732 50 0 IKAARN Cc1ccc2ncc3c(sc(C(=O)NCCCc4ccco4)c3-c3ccccc3)c2c1 ZINC000045943901 557552658 /nfs/dbraw/zinc/55/26/58/557552658.db2.gz QZNUGOAYNAZABM-UHFFFAOYSA-N 0 0 426.541 6.381 50 0 IKAARN O=C(NCCCc1ccco1)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943946 557552844 /nfs/dbraw/zinc/55/28/44/557552844.db2.gz UBVCPZYXNUVMPX-UHFFFAOYSA-N 0 0 446.959 6.726 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000045961881 557554610 /nfs/dbraw/zinc/55/46/10/557554610.db2.gz ZIIBQYLYYFFPSD-UHFFFAOYSA-N 0 0 440.565 5.246 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000045962001 557556958 /nfs/dbraw/zinc/55/69/58/557556958.db2.gz ZOBCSZGCCKDCDV-UHFFFAOYSA-N 0 0 446.956 5.300 50 0 IKAARN Cc1cc(C)cc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)c1 ZINC000045962047 557556961 /nfs/dbraw/zinc/55/69/61/557556961.db2.gz YELNTKVRQSLLBR-UHFFFAOYSA-N 0 0 440.565 5.203 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3nc4cc(C)c(C)cc4nc3OC(C)C)sc2c1 ZINC000045967470 557557204 /nfs/dbraw/zinc/55/72/04/557557204.db2.gz XDIKMGRTVIEQRW-UHFFFAOYSA-N 0 0 436.537 5.295 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cc1 ZINC000000840452 557589394 /nfs/dbraw/zinc/58/93/94/557589394.db2.gz CGLLLBBDBBPICX-VIFPVBQESA-N 0 0 436.076 5.004 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cc1 ZINC000000840454 557589933 /nfs/dbraw/zinc/58/99/33/557589933.db2.gz CGLLLBBDBBPICX-SECBINFHSA-N 0 0 436.076 5.004 50 0 IKAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000040043256 557677585 /nfs/dbraw/zinc/67/75/85/557677585.db2.gz IBJZFGOMBJXOBT-SFHVURJKSA-N 0 0 448.032 5.261 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1 ZINC000000841466 557682163 /nfs/dbraw/zinc/68/21/63/557682163.db2.gz KMWYFFFTYAUCII-UHFFFAOYSA-N 0 0 441.716 5.397 50 0 IKAARN COc1ccccc1[C@H](C)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000040069868 557683980 /nfs/dbraw/zinc/68/39/80/557683980.db2.gz AUVHXDGLEOMMAN-AWEZNQCLSA-N 0 0 433.335 5.809 50 0 IKAARN Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(C)s1 ZINC000040074252 557692385 /nfs/dbraw/zinc/69/23/85/557692385.db2.gz UABATSUXJTVQQW-SGTLLEGYSA-N 0 0 427.397 5.304 50 0 IKAARN CC(=O)c1cc2c(N)c(C(=O)Nc3ccccc3Sc3ccccc3)sc2nc1C ZINC000040154907 557705847 /nfs/dbraw/zinc/70/58/47/557705847.db2.gz NNMWWEABMLDLQS-UHFFFAOYSA-N 0 0 433.558 5.793 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225508229 557732002 /nfs/dbraw/zinc/73/20/02/557732002.db2.gz VBEIXGFHOQHODD-HSZRJFAPSA-N 0 0 443.963 5.831 50 0 IKAARN COc1ccccc1C(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000225514883 557733276 /nfs/dbraw/zinc/73/32/76/557733276.db2.gz JSGZWELFGHJMHD-SFHVURJKSA-N 0 0 425.282 5.042 50 0 IKAARN COc1ccccc1C(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000225514847 557733322 /nfs/dbraw/zinc/73/33/22/557733322.db2.gz JSGZWELFGHJMHD-GOSISDBHSA-N 0 0 425.282 5.042 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1CC(c2ccsc2)=NN1C(C)=O ZINC000225515854 557733552 /nfs/dbraw/zinc/73/35/52/557733552.db2.gz KHXYLUHXSXDTIT-HSZRJFAPSA-N 0 0 442.544 5.307 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 ZINC000225516514 557733983 /nfs/dbraw/zinc/73/39/83/557733983.db2.gz HGZQFDFGKCMTFE-SFHVURJKSA-N 0 0 429.701 5.687 50 0 IKAARN S=C(NCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 ZINC000225518029 557734362 /nfs/dbraw/zinc/73/43/62/557734362.db2.gz ZBOMHTIZXGUWHN-IBGZPJMESA-N 0 0 440.366 5.268 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000040451028 557734909 /nfs/dbraw/zinc/73/49/09/557734909.db2.gz ACQVBTTVENEMNG-HNNXBMFYSA-N 0 0 427.932 5.061 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000225522982 557735307 /nfs/dbraw/zinc/73/53/07/557735307.db2.gz ZEPIMFNGCHTTFI-UHFFFAOYSA-N 0 0 429.318 5.253 50 0 IKAARN CCc1nc(-c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2)cs1 ZINC000040454970 557737573 /nfs/dbraw/zinc/73/75/73/557737573.db2.gz XGHWRQVJWFOFAS-GOSISDBHSA-N 0 0 430.533 5.251 50 0 IKAARN Cc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c2cnn(C(C)C)c2n1 ZINC000225578416 557746123 /nfs/dbraw/zinc/74/61/23/557746123.db2.gz QDMIVKSGFOKVLS-QFIPXVFZSA-N 0 0 428.540 5.078 50 0 IKAARN CC(C)c1noc(Cc2ccc(NC(=O)c3cccc(Br)c3Cl)cc2)n1 ZINC000225617033 557752893 /nfs/dbraw/zinc/75/28/93/557752893.db2.gz VZJBAPYNMPWCDR-UHFFFAOYSA-N 0 0 434.721 5.452 50 0 IKAARN COc1cccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)Cc2ccccc2)c1 ZINC000225635006 557755064 /nfs/dbraw/zinc/75/50/64/557755064.db2.gz XEGQKZLNGIWYCR-HSZRJFAPSA-N 0 0 449.348 5.378 50 0 IKAARN Cc1ccc([C@H]2CC(c3cccc(N(C)C)c3)=NN2C(=S)NCc2ccccc2)cc1 ZINC000225848543 557784937 /nfs/dbraw/zinc/78/49/37/557784937.db2.gz LJEDBKXYXMKNGU-RUZDIDTESA-N 0 0 428.605 5.287 50 0 IKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 ZINC000000843895 557810925 /nfs/dbraw/zinc/81/09/25/557810925.db2.gz CSWOQINTUWSVGN-QFIPXVFZSA-N 0 0 437.396 5.984 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 ZINC000000843742 557811009 /nfs/dbraw/zinc/81/10/09/557811009.db2.gz XCOZNINUYMLPRZ-UHFFFAOYSA-N 0 0 441.325 5.844 50 0 IKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000000843892 557811045 /nfs/dbraw/zinc/81/10/45/557811045.db2.gz KECDZVAZPVJZQR-HSZRJFAPSA-N 0 0 449.432 5.854 50 0 IKAARN Cc1sc(NC(=O)c2cc3cc(Br)ccc3oc2=O)nc1-c1ccccc1 ZINC000000845464 557828650 /nfs/dbraw/zinc/82/86/50/557828650.db2.gz GAFFDOFYNFLXEA-UHFFFAOYSA-N 0 0 441.306 5.240 50 0 IKAARN Cc1ccc([C@H](CC(=O)c2ccc(Br)cc2)Sc2ccc(Cl)cc2)cc1 ZINC000002582791 557828719 /nfs/dbraw/zinc/82/87/19/557828719.db2.gz ORDGOWSUQMHQGB-QFIPXVFZSA-N 0 0 445.809 7.517 50 0 IKAARN S=C(Nc1ccccc1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000846756 557829040 /nfs/dbraw/zinc/82/90/40/557829040.db2.gz BOPWUPRJDPCGLA-RUZDIDTESA-N 0 0 429.633 6.779 50 0 biogenic IKAARN CC[C@@H](C)NC(=O)c1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1Cl ZINC000000848593 557829524 /nfs/dbraw/zinc/82/95/24/557829524.db2.gz NMZKVSFMRMCHHS-SECBINFHSA-N 0 0 431.245 5.250 50 0 IKAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000000848381 557829543 /nfs/dbraw/zinc/82/95/43/557829543.db2.gz AEMGYILRNIECEY-UHFFFAOYSA-N 0 0 426.847 5.424 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4Cl)c3n2)cc1 ZINC000000848658 557829804 /nfs/dbraw/zinc/82/98/04/557829804.db2.gz PEWGYEDHRYSKRQ-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1cccs1 ZINC000000850260 557830651 /nfs/dbraw/zinc/83/06/51/557830651.db2.gz HNNNBSQVAKIAOC-UHFFFAOYSA-N 0 0 448.569 6.298 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2cccc3ccccc32)c1)c1ccc(Br)cc1 ZINC000000855736 557831239 /nfs/dbraw/zinc/83/12/39/557831239.db2.gz HCZGTKBWFOTDEV-UHFFFAOYSA-N 0 0 445.316 6.107 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000000855735 557831271 /nfs/dbraw/zinc/83/12/71/557831271.db2.gz QKVFCPKKXNBSFR-UHFFFAOYSA-N 0 0 445.316 6.107 50 0 IKAARN O=C1[C@H](Oc2ccccc2)[C@@]2(c3ccccc3)C[C@H](c3ccccc3)Sc3ccccc3N12 ZINC000229940642 557834193 /nfs/dbraw/zinc/83/41/93/557834193.db2.gz QRYJUSMKRBSNCZ-XQFUHLNNSA-N 0 0 449.575 6.613 50 0 IKAARN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1C ZINC000229953302 557834208 /nfs/dbraw/zinc/83/42/08/557834208.db2.gz DJOYRLBCLJOQFF-OYUWMTPXSA-N 0 0 448.522 5.508 50 0 IKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@H]21 ZINC000013563055 557836237 /nfs/dbraw/zinc/83/62/37/557836237.db2.gz OVLGPJFWFLOUQN-KOSHJBKYSA-N 0 0 444.478 5.125 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1Cl)O2 ZINC000013769222 557836560 /nfs/dbraw/zinc/83/65/60/557836560.db2.gz DGMWSJJKDLUBRZ-XXBNENTESA-N 0 0 439.298 5.964 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000865609 557839240 /nfs/dbraw/zinc/83/92/40/557839240.db2.gz PNCVTURHDQMKFE-AEFFLSMTSA-N 0 0 434.849 5.758 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000000867616 557839993 /nfs/dbraw/zinc/83/99/93/557839993.db2.gz LHHKLYSJJMKOHL-UHFFFAOYSA-N 0 0 426.501 5.411 50 0 IKAARN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCCC1 ZINC000000867009 557840002 /nfs/dbraw/zinc/84/00/02/557840002.db2.gz PBXZJTCEKAJLNC-LSDHHAIUSA-N 0 0 444.860 5.352 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000869009 557840107 /nfs/dbraw/zinc/84/01/07/557840107.db2.gz CCVBJEGEIUJLEJ-HSZRJFAPSA-N 0 0 440.952 5.197 50 0 IKAARN O=C(c1cc2cc(Br)ccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000868233 557840245 /nfs/dbraw/zinc/84/02/45/557840245.db2.gz ZAHZKJYBHUONEJ-UHFFFAOYSA-N 0 0 448.316 5.398 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1Cl ZINC000000871698 557845536 /nfs/dbraw/zinc/84/55/36/557845536.db2.gz WTXNHOHCHMBQIA-QHCPKHFHSA-N 0 0 447.922 5.468 50 0 IKAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 ZINC000000876616 557848185 /nfs/dbraw/zinc/84/81/85/557848185.db2.gz KZVMWQDKCVTJHG-UHFFFAOYSA-N 0 0 448.523 5.025 50 0 IKAARN Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)c1 ZINC000000877646 557848421 /nfs/dbraw/zinc/84/84/21/557848421.db2.gz BTQHAKARHAZQDM-IBGZPJMESA-N 0 0 443.576 5.307 50 0 IKAARN Cc1cc2c3nnc(SCC(=O)Nc4ccccc4-c4ccccc4)nc3[nH]c2c(C)c1 ZINC000000877614 557848427 /nfs/dbraw/zinc/84/84/27/557848427.db2.gz HSSTXPCAMLBZPA-UHFFFAOYSA-N 0 0 439.544 5.521 50 0 IKAARN C[C@H]1CC[C@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)C1 ZINC000000885399 557855313 /nfs/dbraw/zinc/85/53/13/557855313.db2.gz NFBZLNYJLUCADR-KBPBESRZSA-N 0 0 435.515 5.000 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000000886545 557855600 /nfs/dbraw/zinc/85/56/00/557855600.db2.gz OCNAMYQZZWYRMZ-GOSISDBHSA-N 0 0 429.549 5.065 50 0 IKAARN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(O)cc1 ZINC000000886694 557855790 /nfs/dbraw/zinc/85/57/90/557855790.db2.gz NGRWSHWHFJRVSM-UHFFFAOYSA-N 0 0 430.533 5.128 50 0 IKAARN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc(Cl)c2C)n1 ZINC000000888753 557856878 /nfs/dbraw/zinc/85/68/78/557856878.db2.gz HOXPUMMPFKTRPC-UHFFFAOYSA-N 0 0 440.981 6.533 50 0 IKAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(=O)c1cccs1 ZINC000025053162 557857036 /nfs/dbraw/zinc/85/70/36/557857036.db2.gz BDVMPGFBYSPOIW-UHFFFAOYSA-N 0 0 442.544 5.216 50 0 IKAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1 ZINC000018779861 557858694 /nfs/dbraw/zinc/85/86/94/557858694.db2.gz AOJLNIBWTLVNLJ-UHFFFAOYSA-N 0 0 446.551 5.255 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2CCc2ccccc2)cc1 ZINC000000890267 557859109 /nfs/dbraw/zinc/85/91/09/557859109.db2.gz IJPOVEABHMIJFB-IBGZPJMESA-N 0 0 443.576 5.011 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2CCc2ccccc2)cc1 ZINC000000890265 557859139 /nfs/dbraw/zinc/85/91/39/557859139.db2.gz IJPOVEABHMIJFB-LJQANCHMSA-N 0 0 443.576 5.011 50 0 IKAARN O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000000892351 557860500 /nfs/dbraw/zinc/86/05/00/557860500.db2.gz USUCSHZNWIHEIB-UHFFFAOYSA-N 0 0 446.315 5.633 50 0 IKAARN CCN(CC)C(=O)c1ccc(Nc2nc(CN3CCCC3)nc3sc(C)c(C)c32)cc1 ZINC000018899841 557862734 /nfs/dbraw/zinc/86/27/34/557862734.db2.gz OQKFDFFFOGKTKO-UHFFFAOYSA-N 0 0 437.613 5.130 50 0 IKAARN c1ccc(Oc2cccc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)c2)cc1 ZINC000001687816 560183851 /nfs/dbraw/zinc/18/38/51/560183851.db2.gz KOKDSALTQSQPDH-UHFFFAOYSA-N 0 0 446.502 8.856 50 0 in-vitro IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000004295458 562943031 /nfs/dbraw/zinc/94/30/31/562943031.db2.gz JHFZUBRZBBYWKQ-AWEZNQCLSA-N 0 0 430.357 5.741 50 0 IKAARN CN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000001402976 562921707 /nfs/dbraw/zinc/92/17/07/562921707.db2.gz ALSLDYJTFGXFLD-UHFFFAOYSA-N 0 0 442.755 5.003 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Cl)cc2Cl)CC1 ZINC000001403797 562921728 /nfs/dbraw/zinc/92/17/28/562921728.db2.gz HJKNTECFBOMCNX-UHFFFAOYSA-N 0 0 430.784 5.406 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCCC3 ZINC000000688546 562918975 /nfs/dbraw/zinc/91/89/75/562918975.db2.gz IMUMOSZQRGHLJR-UHFFFAOYSA-N 0 0 439.890 6.072 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccc3c(c2)OCO3)c2ccccc2OC)C(C)=O)cc1 ZINC000000915661 562919601 /nfs/dbraw/zinc/91/96/01/562919601.db2.gz WBPFARVYPLNFMT-QHCPKHFHSA-N 0 0 447.531 5.003 50 0 biogenic IKAARN NC(=O)c1cc(-c2csc([C@@H]3COc4ccccc4O3)n2)ccc1OCc1ccccc1 ZINC000000910049 562919610 /nfs/dbraw/zinc/91/96/10/562919610.db2.gz YNHSRUGJLDWTIA-QHCPKHFHSA-N 0 0 444.512 5.001 50 0 IKAARN COC(=O)c1cc2ccccc2c(-c2c3ccccc3cc(C(=O)OC)c2OC)c1OC ZINC000000973049 562919798 /nfs/dbraw/zinc/91/97/98/562919798.db2.gz NWULKMYMWPIZAX-UHFFFAOYSA-N 0 0 430.456 5.250 50 0 IKAARN COc1ccc(NC(=O)c2cc3nc(-c4ccc(C)c(C)c4)cc(C(F)(F)F)n3n2)cc1 ZINC000001009226 562920038 /nfs/dbraw/zinc/92/00/38/562920038.db2.gz TUCOXXNSVQMXES-UHFFFAOYSA-N 0 0 440.425 5.293 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1C ZINC000001057905 562920162 /nfs/dbraw/zinc/92/01/62/562920162.db2.gz PXVVFJKQJLSRKM-DEOSSOPVSA-N 0 0 427.504 5.123 50 0 biogenic IKAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CCCC[C@@H]1c1cccnc1 ZINC000001073270 562920256 /nfs/dbraw/zinc/92/02/56/562920256.db2.gz JFGHHLMKYGRKPG-HXUWFJFHSA-N 0 0 433.462 5.096 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CC[C@H](C)C2 ZINC000001102454 562920484 /nfs/dbraw/zinc/92/04/84/562920484.db2.gz UTERMYOHYAIFSG-LBPRGKRZSA-N 0 0 441.471 5.086 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000001183272 562920763 /nfs/dbraw/zinc/92/07/63/562920763.db2.gz UPUROXXFYNDNMU-HAHDFKILSA-N 0 0 431.513 5.511 50 0 IKAARN Cc1ccc(Sc2c(C(=O)Nc3ccc(F)cc3F)c(C(F)(F)F)nn2C)cc1 ZINC000001385352 562921580 /nfs/dbraw/zinc/92/15/80/562921580.db2.gz AJLLAFQOGPLUOZ-UHFFFAOYSA-N 0 0 427.398 5.429 50 0 IKAARN O=C(CSc1ccc(Cl)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001392867 562921630 /nfs/dbraw/zinc/92/16/30/562921630.db2.gz YEMNHTMAEPPCQS-UHFFFAOYSA-N 0 0 437.417 6.101 50 0 IKAARN Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccccc2Cl)n1 ZINC000001392270 562921635 /nfs/dbraw/zinc/92/16/35/562921635.db2.gz AQZQJKUDEDUSAT-UHFFFAOYSA-N 0 0 425.362 5.217 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)[C@H](c2ccco2)c2c(=O)oc3ccccc3c2O1 ZINC000001641962 562923574 /nfs/dbraw/zinc/92/35/74/562923574.db2.gz AYMVFKCJJBANOF-LJQANCHMSA-N 0 0 440.480 5.361 50 0 IKAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cc(Cl)cc32)cc1 ZINC000001772983 562924590 /nfs/dbraw/zinc/92/45/90/562924590.db2.gz QUVFPQDRYNGCIP-UHFFFAOYSA-N 0 0 426.900 5.684 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000001796392 562924663 /nfs/dbraw/zinc/92/46/63/562924663.db2.gz SCGVTJINARBNCS-UHFFFAOYSA-N 0 0 442.743 5.866 50 0 IKAARN CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001818655 562924764 /nfs/dbraw/zinc/92/47/64/562924764.db2.gz WSPFGJQGVIPFSL-UHFFFAOYSA-N 0 0 444.644 6.412 50 0 biogenic IKAARN CCOC(=O)c1c2cc(OCc3ccc(F)cc3F)ccc2oc1-c1ccc(OC)cc1 ZINC000001828985 562924791 /nfs/dbraw/zinc/92/47/91/562924791.db2.gz FLLJDNLEOSHXIV-UHFFFAOYSA-N 0 0 438.426 6.142 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001909319 562925373 /nfs/dbraw/zinc/92/53/73/562925373.db2.gz FHJNANZYTLDRKG-UHFFFAOYSA-N 0 0 444.712 5.351 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001944568 562925495 /nfs/dbraw/zinc/92/54/95/562925495.db2.gz LWCUMUFYWBKLSB-CYBMUJFWSA-N 0 0 435.973 5.357 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000002156689 562926089 /nfs/dbraw/zinc/92/60/89/562926089.db2.gz ROZBJNHXNLWGEI-UHFFFAOYSA-N 0 0 444.483 5.703 50 0 biogenic IKAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1ccc(Br)cc1)CCC2 ZINC000002286413 562926767 /nfs/dbraw/zinc/92/67/67/562926767.db2.gz LCVWNZNEHZWCDJ-UHFFFAOYSA-N 0 0 441.350 5.504 50 0 IKAARN COc1ccc(N[C@@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000002300339 562926842 /nfs/dbraw/zinc/92/68/42/562926842.db2.gz RDBHDOJRMHZTDB-AREMUKBSSA-N 0 0 445.455 7.157 50 0 IKAARN C[C@@H]1CCCc2sc3nc(SCC(=O)c4ccc(Br)cc4)nc(N)c3c21 ZINC000002304869 562926854 /nfs/dbraw/zinc/92/68/54/562926854.db2.gz BIKXNMJYYGYMPY-SNVBAGLBSA-N 0 0 448.411 5.451 50 0 IKAARN C[C@H]1CCCc2sc3nc(SCC(=O)c4ccc(Br)cc4)nc(N)c3c21 ZINC000002304868 562926868 /nfs/dbraw/zinc/92/68/68/562926868.db2.gz BIKXNMJYYGYMPY-JTQLQIEISA-N 0 0 448.411 5.451 50 0 IKAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000002415424 562927445 /nfs/dbraw/zinc/92/74/45/562927445.db2.gz KCJYQLGUHSFDIF-DCFHFQCYSA-N 0 0 430.312 5.717 50 0 IKAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000002415426 562927544 /nfs/dbraw/zinc/92/75/44/562927544.db2.gz KCJYQLGUHSFDIF-HRFSGMKKSA-N 0 0 430.312 5.717 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000002616825 562928361 /nfs/dbraw/zinc/92/83/61/562928361.db2.gz IIWNGLGBKYAGTD-MRXNPFEDSA-N 0 0 449.359 5.927 50 0 aggregator IKAARN Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000002628110 562928786 /nfs/dbraw/zinc/92/87/86/562928786.db2.gz FXMKXPISCBMQLL-UHFFFAOYSA-N 0 0 432.549 5.655 50 0 IKAARN C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002654962 562929475 /nfs/dbraw/zinc/92/94/75/562929475.db2.gz BGUAHOVYTOIYAQ-GFCCVEGCSA-N 0 0 443.286 5.401 50 0 IKAARN COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)cc(C(=O)c1ccc(C)c(C)c1)c2=O ZINC000002691633 562929835 /nfs/dbraw/zinc/92/98/35/562929835.db2.gz RYGAVWZRGXQDSW-UHFFFAOYSA-N 0 0 445.490 5.054 50 0 IKAARN COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3F)c2cc1OC ZINC000002691319 562929844 /nfs/dbraw/zinc/92/98/44/562929844.db2.gz GKDBLPGGDLAZNS-UHFFFAOYSA-N 0 0 431.442 5.547 50 0 IKAARN COc1cccc(C(=O)Oc2c(Sc3ccc(C)cc3)c(C)nn2C(C)(C)C)c1OC ZINC000002718649 562929906 /nfs/dbraw/zinc/92/99/06/562929906.db2.gz WKJZJQSSVBATGK-UHFFFAOYSA-N 0 0 440.565 5.643 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccccc2Cl)cc1 ZINC000002721835 562929920 /nfs/dbraw/zinc/92/99/20/562929920.db2.gz ZTFZUOOCKUHSRB-UHFFFAOYSA-N 0 0 445.949 6.022 50 0 aggregator IKAARN COc1ccc(C(=O)Oc2c(Sc3ccc(C)cc3)c(C)nn2C(C)(C)C)cc1OC ZINC000002718650 562929928 /nfs/dbraw/zinc/92/99/28/562929928.db2.gz PCPGYEXOMDXQIR-UHFFFAOYSA-N 0 0 440.565 5.643 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2S[C@H](C)c2ccccc2)cc1 ZINC000002721739 562929932 /nfs/dbraw/zinc/92/99/32/562929932.db2.gz KVSFYHPIHNXQJP-MRXNPFEDSA-N 0 0 441.599 6.398 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002724772 562930010 /nfs/dbraw/zinc/93/00/10/562930010.db2.gz GMUSNVKSUKMPJD-OAQYLSRUSA-N 0 0 447.268 5.456 50 0 IKAARN CCCCC1CCC(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)CC1 ZINC000002724698 562930022 /nfs/dbraw/zinc/93/00/22/562930022.db2.gz NAEPYRHHQRJPOV-HGEUABKPSA-N 0 0 440.534 5.832 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(OC)c(Cl)c2)c1C ZINC000002928951 562930713 /nfs/dbraw/zinc/93/07/13/562930713.db2.gz IGYJAGZDTNKUFR-UHFFFAOYSA-N 0 0 440.927 5.331 50 0 IKAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2nc3ccc(C)cc3s2)c1C ZINC000002929848 562930728 /nfs/dbraw/zinc/93/07/28/562930728.db2.gz XJVREXJKCHEROR-UHFFFAOYSA-N 0 0 435.524 5.752 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12 ZINC000002938149 562930870 /nfs/dbraw/zinc/93/08/70/562930870.db2.gz USPUTIOMFBMOOY-UHFFFAOYSA-N 0 0 440.499 5.037 50 0 aggregator IKAARN COc1ccc(CCNc2nc(SCc3cccc(F)c3)nc3ccccc32)cc1OC ZINC000002948758 562931017 /nfs/dbraw/zinc/93/10/17/562931017.db2.gz HPSQOQOFXJGHMM-UHFFFAOYSA-N 0 0 449.551 5.733 50 0 IKAARN O=C(CSc1nc2ccccc2c(Nc2ccc(F)c(F)c2)n1)c1ccc(Cl)cc1 ZINC000002949045 562931050 /nfs/dbraw/zinc/93/10/50/562931050.db2.gz LCSPNRJJXAPGNJ-UHFFFAOYSA-N 0 0 441.890 6.280 50 0 IKAARN O=C(NCc1ccccc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002950952 562931098 /nfs/dbraw/zinc/93/10/98/562931098.db2.gz IJYKINDTCHVWHF-UHFFFAOYSA-N 0 0 427.554 6.017 50 0 IKAARN CCCCNC(=O)[C@@H](CC)Sc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1 ZINC000002950868 562931107 /nfs/dbraw/zinc/93/11/07/562931107.db2.gz YBGPKTILPITESL-LJQANCHMSA-N 0 0 442.535 5.271 50 0 IKAARN CCCCNC(=O)[C@H](CC)Sc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1 ZINC000002950870 562931129 /nfs/dbraw/zinc/93/11/29/562931129.db2.gz YBGPKTILPITESL-IBGZPJMESA-N 0 0 442.535 5.271 50 0 IKAARN Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2C)cc1C ZINC000002953941 562931196 /nfs/dbraw/zinc/93/11/96/562931196.db2.gz RCLIGAVIOYDCKR-SGEDCAFJSA-N 0 0 427.504 5.038 50 0 IKAARN O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N12 ZINC000002964400 562931267 /nfs/dbraw/zinc/93/12/67/562931267.db2.gz BYMBSINDRCYAFP-NRFANRHFSA-N 0 0 431.948 5.475 50 0 IKAARN COP(=O)(CN(Cc1ccccc1Cl)C(=S)Nc1ccccc1Cl)OC ZINC000003039607 562932063 /nfs/dbraw/zinc/93/20/63/562932063.db2.gz ANFQQVUCIREGSD-UHFFFAOYSA-N 0 0 433.297 5.636 50 0 IKAARN O=C(NC1CCCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003040795 562932120 /nfs/dbraw/zinc/93/21/20/562932120.db2.gz YABRYXYSOBXBAF-UHFFFAOYSA-N 0 0 442.584 6.061 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000003044940 562932155 /nfs/dbraw/zinc/93/21/55/562932155.db2.gz CXZYCQMTQJXBDO-UHFFFAOYSA-N 0 0 430.935 5.926 50 0 IKAARN CCOc1ccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000003063491 562932394 /nfs/dbraw/zinc/93/23/94/562932394.db2.gz DLQKOSZJCZKWSD-UHFFFAOYSA-N 0 0 430.957 5.252 50 0 IKAARN CCOc1ccc(-c2nc(CSCC(=O)N[C@H]3CCCc4ccccc43)c(C)o2)cc1 ZINC000003063459 562932406 /nfs/dbraw/zinc/93/24/06/562932406.db2.gz QSQPGPRHGGCJFI-QFIPXVFZSA-N 0 0 436.577 5.476 50 0 IKAARN CCOc1ccc(-c2nc(CSCC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000003063493 562932443 /nfs/dbraw/zinc/93/24/43/562932443.db2.gz JXCDRWUAEITCAI-UHFFFAOYSA-N 0 0 444.984 5.294 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(-c2ccc(OC(C)=O)cc2)c1 ZINC000003216573 562932892 /nfs/dbraw/zinc/93/28/92/562932892.db2.gz PAWXOHAQTWSCPX-UHFFFAOYSA-N 0 0 445.515 5.199 50 0 aggregator IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000003224400 562932970 /nfs/dbraw/zinc/93/29/70/562932970.db2.gz FGUHXNTYWILLSA-SFHVURJKSA-N 0 0 438.858 5.464 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 ZINC000003247177 562933274 /nfs/dbraw/zinc/93/32/74/562933274.db2.gz IFBNEYMZMDBHGO-CBTVAOKPSA-N 0 0 428.532 5.403 50 0 IKAARN COC(=O)CCc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(OC)cc1 ZINC000003315141 562934138 /nfs/dbraw/zinc/93/41/38/562934138.db2.gz CWFJUPQLRJEEGA-UHFFFAOYSA-N 0 0 447.354 5.430 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000003327702 562934299 /nfs/dbraw/zinc/93/42/99/562934299.db2.gz UPPFGGUTIJEBEW-UHFFFAOYSA-N 0 0 426.831 5.272 50 0 IKAARN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cc(C)n(Cc4ccccc4)c3C)cs2)cc1 ZINC000003346604 562934585 /nfs/dbraw/zinc/93/45/85/562934585.db2.gz PIITVCCJJWAOHX-UHFFFAOYSA-N 0 0 444.560 5.487 50 0 aggregator IKAARN Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1 ZINC000003355114 562934673 /nfs/dbraw/zinc/93/46/73/562934673.db2.gz YZWXHVYNBCDIJR-FQEVSTJZSA-N 0 0 447.840 6.204 50 0 IKAARN O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000003398760 562935172 /nfs/dbraw/zinc/93/51/72/562935172.db2.gz DOCQSXZLQYAMIG-UHFFFAOYSA-N 0 0 435.936 5.375 50 0 aggregator IKAARN COc1ccc(-c2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2C)cc1 ZINC000003428390 562935726 /nfs/dbraw/zinc/93/57/26/562935726.db2.gz ZAALKEVYFJJSSL-UHFFFAOYSA-N 0 0 448.548 5.123 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 ZINC000003430613 562935777 /nfs/dbraw/zinc/93/57/77/562935777.db2.gz DVCVKMGQHWFVSC-UHFFFAOYSA-N 0 0 441.556 5.925 50 0 IKAARN Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C[C@H]2CCCO2)cc1 ZINC000003444983 562935946 /nfs/dbraw/zinc/93/59/46/562935946.db2.gz FAVHZOBQADFOEC-LJQANCHMSA-N 0 0 436.512 5.211 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCc2ccccc21 ZINC000003534142 562936408 /nfs/dbraw/zinc/93/64/08/562936408.db2.gz GLCZABYFEMMPFG-GOSISDBHSA-N 0 0 438.556 5.276 50 0 aggregator IKAARN COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)Cc2cccs2)cc1 ZINC000003615591 562936782 /nfs/dbraw/zinc/93/67/82/562936782.db2.gz BKBWNZKCBLFZRW-XMMPIXPASA-N 0 0 436.577 5.261 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@@H](C)C(=O)OC)cc1 ZINC000003658785 562937502 /nfs/dbraw/zinc/93/75/02/562937502.db2.gz GYXWYSAECWSSDC-INIZCTEOSA-N 0 0 433.533 5.140 50 0 IKAARN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658752 562937511 /nfs/dbraw/zinc/93/75/11/562937511.db2.gz VEXMCQRNBYPIOQ-OAQYLSRUSA-N 0 0 447.560 5.530 50 0 IKAARN CCOC(=O)c1c(Nc2ccc(OCC)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000003953673 562939877 /nfs/dbraw/zinc/93/98/77/562939877.db2.gz JSEKOJVYOFLPNZ-UHFFFAOYSA-N 0 0 439.515 6.130 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004004886 562940703 /nfs/dbraw/zinc/94/07/03/562940703.db2.gz YCPHKZWSXWBFHG-UHFFFAOYSA-N 0 0 429.867 5.265 50 0 IKAARN CC(C)Cc1ccc([C@H](C)C(=O)NCCNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000004027209 562940853 /nfs/dbraw/zinc/94/08/53/562940853.db2.gz ADXAZTWBWFPYRO-VXKWHMMOSA-N 0 0 436.640 5.223 50 0 biogenic IKAARN 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 ZINC000004546796 562943389 /nfs/dbraw/zinc/94/33/89/562943389.db2.gz DOMWKUIIPQCAJU-UQSTXUIISA-N 0 0 428.613 5.970 50 0 IKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000005440978 562943900 /nfs/dbraw/zinc/94/39/00/562943900.db2.gz MBZYKEVPFYHDOH-NFIHCTFXSA-N 0 0 428.745 8.559 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000006134471 562946218 /nfs/dbraw/zinc/94/62/18/562946218.db2.gz MYKYUPZYUSCLKH-FQEVSTJZSA-N 0 0 441.531 5.035 50 0 IKAARN O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(Br)cc3)sc2n1 ZINC000006143841 562946281 /nfs/dbraw/zinc/94/62/81/562946281.db2.gz RQQRXUZARZUAQE-UHFFFAOYSA-N 0 0 437.318 5.523 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)N[C@@H](C)CCc3ccco3)c2C)c1-c1ccc(F)cc1 ZINC000006577384 562947624 /nfs/dbraw/zinc/94/76/24/562947624.db2.gz UTURPAUEBUIDJO-INIZCTEOSA-N 0 0 448.542 5.124 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc12 ZINC000006913291 562948533 /nfs/dbraw/zinc/94/85/33/562948533.db2.gz WEKRWBOSVSJEHM-UHFFFAOYSA-N 0 0 426.560 6.024 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2n2ccnc2)cc1 ZINC000008411896 562949334 /nfs/dbraw/zinc/94/93/34/562949334.db2.gz ZIOIBHAAUMBAQT-RPWUZVMVSA-N 0 0 433.342 6.397 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(Cl)c2)cc1 ZINC000008573367 562949583 /nfs/dbraw/zinc/94/95/83/562949583.db2.gz LFNLPMCUJBKUGU-COOPMVRXSA-N 0 0 433.895 5.075 50 0 IKAARN O=S(=O)(c1cccc(Cl)c1)n1c(/C=C/c2ccccc2Cl)nc2ccccc21 ZINC000008583158 562949691 /nfs/dbraw/zinc/94/96/91/562949691.db2.gz FQMQFNDENOLSBA-OUKQBFOZSA-N 0 0 429.328 5.751 50 0 IKAARN COc1ccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)cc1Cl ZINC000008583151 562949693 /nfs/dbraw/zinc/94/96/93/562949693.db2.gz KSWGQJDMCOXJFK-DTQAZKPQSA-N 0 0 438.914 6.371 50 0 aggregator IKAARN O=S(=O)(c1cccc(C(F)(F)F)c1)n1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000008583149 562949694 /nfs/dbraw/zinc/94/96/94/562949694.db2.gz JFFOVFJBVBHJBF-BUHFOSPRSA-N 0 0 428.435 5.463 50 0 aggregator IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)Nc2cccc(Cl)c2C)c1C ZINC000008583650 562949792 /nfs/dbraw/zinc/94/97/92/562949792.db2.gz JVYKKCTULUTJKS-UHFFFAOYSA-N 0 0 438.955 6.021 50 0 IKAARN Cc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2n1-c1ccc(Br)cc1 ZINC000008583634 562949816 /nfs/dbraw/zinc/94/98/16/562949816.db2.gz CWFBGIZPPACLGM-UHFFFAOYSA-N 0 0 438.369 5.717 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(C)c(C)c2)CC1=O ZINC000008587091 562950239 /nfs/dbraw/zinc/95/02/39/562950239.db2.gz FBYDDUYFJDMVBK-QFIPXVFZSA-N 0 0 433.596 5.628 50 0 IKAARN C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1c2c(sc1-n1cccc1)CCCC2 ZINC000008587622 562950352 /nfs/dbraw/zinc/95/03/52/562950352.db2.gz BRGYHPWHWJOEMC-ZDUSSCGKSA-N 0 0 434.392 6.607 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1cccc(OC)c1OC)c2Sc1ccccc1 ZINC000008587653 562950371 /nfs/dbraw/zinc/95/03/71/562950371.db2.gz KEKZGNROXIXMLU-UHFFFAOYSA-N 0 0 448.544 5.275 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1ccc(OC(C)C)cc1)c2Sc1ccccc1 ZINC000008587655 562950374 /nfs/dbraw/zinc/95/03/74/562950374.db2.gz BSSNSMPSFWZTFZ-UHFFFAOYSA-N 0 0 446.572 6.045 50 0 IKAARN Cc1nn([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2c3ccccc3sc21 ZINC000008587720 562950413 /nfs/dbraw/zinc/95/04/13/562950413.db2.gz QYSAQAROZIUWOD-GFCCVEGCSA-N 0 0 431.439 5.138 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1OCC ZINC000008587880 562950522 /nfs/dbraw/zinc/95/05/22/562950522.db2.gz QLKVNPNWJPRMHA-UHFFFAOYSA-N 0 0 433.533 5.716 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000008588517 562950751 /nfs/dbraw/zinc/95/07/51/562950751.db2.gz TZJORJGZPLUPHJ-UHFFFAOYSA-N 0 0 433.458 5.437 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)NCCCc5ccccc5)cc4sc3n2)c(C)c1 ZINC000008588656 562950757 /nfs/dbraw/zinc/95/07/57/562950757.db2.gz BWRMBFYYMHINLT-UHFFFAOYSA-N 0 0 439.584 6.195 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)Nc5ccc(C)cc5C)cc4sc3n2)cc1 ZINC000008588689 562950788 /nfs/dbraw/zinc/95/07/88/562950788.db2.gz WVAVJKPKXMMCOW-UHFFFAOYSA-N 0 0 427.529 6.094 50 0 IKAARN COc1cccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4cccc(OC)c4)cn32)c1 ZINC000008588744 562950892 /nfs/dbraw/zinc/95/08/92/562950892.db2.gz YVKXYQHCKRDQHK-UHFFFAOYSA-N 0 0 443.528 5.163 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccccc3Cl)c2C(=O)[O-])cc1 ZINC000008588896 562950919 /nfs/dbraw/zinc/95/09/19/562950919.db2.gz YQBORUZLJSIQLM-UHFFFAOYSA-N 0 0 432.951 5.948 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccc(OC)cc2n(Cc2ccccc2)c1C(=O)[O-] ZINC000008588880 562950927 /nfs/dbraw/zinc/95/09/27/562950927.db2.gz WSVDQFVOVLEBPO-UHFFFAOYSA-N 0 0 444.531 5.085 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NCc2ccc(C)cc2)nn1 ZINC000008589354 562951223 /nfs/dbraw/zinc/95/12/23/562951223.db2.gz ZCMMIEHPIAWUIF-UHFFFAOYSA-N 0 0 446.601 5.292 50 0 IKAARN O=C(Cn1cc(SCc2ccc(Br)cc2)c2ccccc21)N1CCCCC1 ZINC000008589643 562951271 /nfs/dbraw/zinc/95/12/71/562951271.db2.gz WYGAPHMFIWPBKN-UHFFFAOYSA-N 0 0 443.410 5.709 50 0 aggregator IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000008589782 562951344 /nfs/dbraw/zinc/95/13/44/562951344.db2.gz YBCUEHRLCXRUEW-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN O=C(Cn1cc(SCc2c(F)cccc2Cl)c2ccccc21)N1CCCCCC1 ZINC000008589768 562951349 /nfs/dbraw/zinc/95/13/49/562951349.db2.gz DDNDFMNOXCNTTB-UHFFFAOYSA-N 0 0 430.976 6.129 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2CCCCCC2)cc1 ZINC000008590062 562951422 /nfs/dbraw/zinc/95/14/22/562951422.db2.gz GQJCIQLIGAPPLO-UHFFFAOYSA-N 0 0 430.957 5.517 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000008590371 562951622 /nfs/dbraw/zinc/95/16/22/562951622.db2.gz SXNHQIPFQGQCDN-OAQYLSRUSA-N 0 0 432.476 5.107 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl ZINC000008590488 562951688 /nfs/dbraw/zinc/95/16/88/562951688.db2.gz UNLKUONVUHHQMJ-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 aggregator IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 ZINC000008590511 562951694 /nfs/dbraw/zinc/95/16/94/562951694.db2.gz CZLGWMFZPALFAO-UHFFFAOYSA-N 0 0 429.932 6.660 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)c1 ZINC000008590752 562951848 /nfs/dbraw/zinc/95/18/48/562951848.db2.gz FQLYMLNDOPGYNV-UHFFFAOYSA-N 0 0 431.923 6.266 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)cc1 ZINC000008590761 562951873 /nfs/dbraw/zinc/95/18/73/562951873.db2.gz PKVGLNWJACFVIJ-UHFFFAOYSA-N 0 0 431.923 6.130 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1c(F)cccc1Cl ZINC000008592123 562952211 /nfs/dbraw/zinc/95/22/11/562952211.db2.gz DKNDBTHIMCGQRS-UHFFFAOYSA-N 0 0 449.334 5.325 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1 ZINC000008592319 562952269 /nfs/dbraw/zinc/95/22/69/562952269.db2.gz VKRVEWBXVUNKAA-UHFFFAOYSA-N 0 0 428.488 5.798 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)c1 ZINC000008592311 562952290 /nfs/dbraw/zinc/95/22/90/562952290.db2.gz QUTHCBLIINQDJF-UHFFFAOYSA-N 0 0 428.488 5.798 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000008592803 562952397 /nfs/dbraw/zinc/95/23/97/562952397.db2.gz LCZGYPJRUQOMSS-JGCGQSQUSA-N 0 0 444.556 5.196 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCc1ccccc1-2 ZINC000008592931 562952498 /nfs/dbraw/zinc/95/24/98/562952498.db2.gz GVNAWTHQTJYHCM-UHFFFAOYSA-N 0 0 439.302 5.244 50 0 IKAARN COc1ccc(C)cc1Nc1nc2cc(Cl)c(Cl)cc2nc1-n1nc(C)cc1C ZINC000008594419 562953008 /nfs/dbraw/zinc/95/30/08/562953008.db2.gz OOAMNEMNPARBEQ-UHFFFAOYSA-N 0 0 428.323 5.800 50 0 IKAARN Cc1cc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)ccc1Br ZINC000008594512 562953028 /nfs/dbraw/zinc/95/30/28/562953028.db2.gz NEWCCLJHUOWNOG-FQEVSTJZSA-N 0 0 438.300 6.148 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000008594669 562953031 /nfs/dbraw/zinc/95/30/31/562953031.db2.gz LEFNNUCWVLCOLQ-UHFFFAOYSA-N 0 0 429.501 5.203 50 0 IKAARN O=C(CSc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000008594687 562953078 /nfs/dbraw/zinc/95/30/78/562953078.db2.gz RLKHLJOQEKRCCU-UHFFFAOYSA-N 0 0 447.491 5.342 50 0 aggregator IKAARN CCN(CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1cccc(C)c1 ZINC000008594953 562953143 /nfs/dbraw/zinc/95/31/43/562953143.db2.gz JWTCHYBOPKPBAM-UHFFFAOYSA-N 0 0 433.577 5.413 50 0 IKAARN COc1ccc2nc3sc(C(=O)Nc4cc(Cl)c(OC)cc4OC)cc3cc2c1 ZINC000008594934 562953160 /nfs/dbraw/zinc/95/31/60/562953160.db2.gz YBEKASRGCHTNIQ-UHFFFAOYSA-N 0 0 428.897 5.381 50 0 IKAARN CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1 ZINC000008595102 562953199 /nfs/dbraw/zinc/95/31/99/562953199.db2.gz LUFXJOBTIJZCLJ-UHFFFAOYSA-N 0 0 445.881 6.210 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)c(OC)c1 ZINC000008595309 562953329 /nfs/dbraw/zinc/95/33/29/562953329.db2.gz BVEYEUKTNGSKKF-UHFFFAOYSA-N 0 0 441.531 5.277 50 0 biogenic IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccs2)cc1 ZINC000008595642 562953657 /nfs/dbraw/zinc/95/36/57/562953657.db2.gz JAXXKTOAKSWYNZ-JOCHJYFZSA-N 0 0 429.501 5.065 50 0 IKAARN CCc1ccccc1NC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C ZINC000008595878 562953681 /nfs/dbraw/zinc/95/36/81/562953681.db2.gz NWAHRGJUKBNROD-UHFFFAOYSA-N 0 0 436.515 5.001 50 0 IKAARN COC(=O)c1ccccc1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000008596708 562953838 /nfs/dbraw/zinc/95/38/38/562953838.db2.gz NEDRSTUHKIWSCK-UHFFFAOYSA-N 0 0 440.952 5.284 50 0 IKAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccccc1Br ZINC000008596918 562953895 /nfs/dbraw/zinc/95/38/95/562953895.db2.gz BBBZCHYVTSPENJ-UHFFFAOYSA-N 0 0 425.351 5.449 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(C)c(F)c3)c2C)c1-c1ccc(F)cc1 ZINC000008598365 562954233 /nfs/dbraw/zinc/95/42/33/562954233.db2.gz LIFJWHDFELNJTD-UHFFFAOYSA-N 0 0 434.490 5.479 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3cccc(Cl)c3)c2C)c1-c1ccccc1 ZINC000008598737 562954428 /nfs/dbraw/zinc/95/44/28/562954428.db2.gz WTANHRWYJSZPFY-UHFFFAOYSA-N 0 0 432.955 5.224 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2cccs2)cc1 ZINC000008599317 562954654 /nfs/dbraw/zinc/95/46/54/562954654.db2.gz JLBBZQQOMOARKO-GOSISDBHSA-N 0 0 433.620 5.052 50 0 IKAARN COc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(SC)cc2)c1 ZINC000008599969 562954896 /nfs/dbraw/zinc/95/48/96/562954896.db2.gz NIRBBYNBZCGFJQ-RUZDIDTESA-N 0 0 428.557 5.686 50 0 IKAARN CCCSCCCNC(=O)c1ccc(C)c(NC(=O)c2nsc3ccccc32)c1 ZINC000008599979 562954902 /nfs/dbraw/zinc/95/49/02/562954902.db2.gz PUOOWQBXRJZKMD-UHFFFAOYSA-N 0 0 427.595 5.120 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)c1 ZINC000008600049 562954917 /nfs/dbraw/zinc/95/49/17/562954917.db2.gz LDZVXFYNARFXGB-HHHXNRCGSA-N 0 0 442.584 5.833 50 0 aggregator IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)c1 ZINC000008600051 562954924 /nfs/dbraw/zinc/95/49/24/562954924.db2.gz LDZVXFYNARFXGB-MHZLTWQESA-N 0 0 442.584 5.833 50 0 aggregator IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSCc2ccc(F)cc2)cc1 ZINC000008599936 562954926 /nfs/dbraw/zinc/95/49/26/562954926.db2.gz FTEJBKCWQOTSRK-HHHXNRCGSA-N 0 0 444.575 6.023 50 0 aggregator IKAARN CSc1ccc(CNC(=O)c2ccccc2NC(=O)c2nsc3ccccc32)cc1 ZINC000008600160 562954990 /nfs/dbraw/zinc/95/49/90/562954990.db2.gz DOFJOQBCJRTGSR-UHFFFAOYSA-N 0 0 433.558 5.201 50 0 IKAARN CCCOc1ccc(OC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000008600258 562954995 /nfs/dbraw/zinc/95/49/95/562954995.db2.gz GOHIDROROZOGMN-UHFFFAOYSA-N 0 0 429.472 5.007 50 0 IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(F)cc2)c1 ZINC000008601082 562955205 /nfs/dbraw/zinc/95/52/05/562955205.db2.gz YGZIHDIAAWKCTD-UHFFFAOYSA-N 0 0 431.492 5.307 50 0 IKAARN COc1cc2ccccc2cc1C(=O)N1CCN(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000008601660 562955533 /nfs/dbraw/zinc/95/55/33/562955533.db2.gz UBQNIGPZYNTFTP-UHFFFAOYSA-N 0 0 431.561 5.037 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000008602185 562955798 /nfs/dbraw/zinc/95/57/98/562955798.db2.gz DUAVBJZULFCXPE-UHFFFAOYSA-N 0 0 448.526 5.273 50 0 biogenic IKAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1OC ZINC000008602964 562955893 /nfs/dbraw/zinc/95/58/93/562955893.db2.gz CWSNHLDKFLPQQE-UHFFFAOYSA-N 0 0 442.559 5.644 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000008603153 562955935 /nfs/dbraw/zinc/95/59/35/562955935.db2.gz GEQGIOPPVBTJOJ-UHFFFAOYSA-N 0 0 429.520 5.000 50 0 IKAARN COc1ccccc1CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1 ZINC000008603066 562955938 /nfs/dbraw/zinc/95/59/38/562955938.db2.gz RGGBKQWLICIXHZ-UHFFFAOYSA-N 0 0 446.978 5.941 50 0 IKAARN CCc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000008603113 562955940 /nfs/dbraw/zinc/95/59/40/562955940.db2.gz TYICNWZIHUKHRU-QFIPXVFZSA-N 0 0 427.504 5.762 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000008603116 562955947 /nfs/dbraw/zinc/95/59/47/562955947.db2.gz QJYFQQJVPKGCFH-JOCHJYFZSA-N 0 0 441.487 5.402 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1nc2cccnc2n1Cc1cccs1 ZINC000008603437 562955991 /nfs/dbraw/zinc/95/59/91/562955991.db2.gz SAXFFBNHYRMREU-UHFFFAOYSA-N 0 0 440.956 5.083 50 0 IKAARN CC(C)c1ccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000008603400 562956014 /nfs/dbraw/zinc/95/60/14/562956014.db2.gz TVXZQKFPDMSAPH-UHFFFAOYSA-N 0 0 441.575 6.366 50 0 IKAARN CCOc1ccc(CCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)cc1OCC ZINC000008603589 562956016 /nfs/dbraw/zinc/95/60/16/562956016.db2.gz ZRTDVOQYRQCHTP-UHFFFAOYSA-N 0 0 438.915 5.390 50 0 IKAARN CCOc1ccccc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603557 562956026 /nfs/dbraw/zinc/95/60/26/562956026.db2.gz FZLSXNMVTMKGOC-UHFFFAOYSA-N 0 0 429.520 5.174 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)cc1 ZINC000008603845 562956112 /nfs/dbraw/zinc/95/61/12/562956112.db2.gz TXXGGZCUZVFYBE-UHFFFAOYSA-N 0 0 426.428 5.692 50 0 aggregator IKAARN CC(C)Oc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000008603886 562956186 /nfs/dbraw/zinc/95/61/86/562956186.db2.gz RYHTWWHVYMORFH-UHFFFAOYSA-N 0 0 432.451 5.864 50 0 IKAARN Cc1ccc(C)c(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(F)cc3)c2=O)c1 ZINC000008604009 562956237 /nfs/dbraw/zinc/95/62/37/562956237.db2.gz RMCLHKPTRGPHLO-UHFFFAOYSA-N 0 0 430.504 5.171 50 0 IKAARN Cc1ccc2c(c1)Cc1c(nc(-c3ccc(F)cc3)nc1SCC(=O)N1CCCCC1)O2 ZINC000008603987 562956241 /nfs/dbraw/zinc/95/62/41/562956241.db2.gz PDADVODXXPVRIC-UHFFFAOYSA-N 0 0 449.551 5.392 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)cc1 ZINC000008603933 562956259 /nfs/dbraw/zinc/95/62/59/562956259.db2.gz UHBQLDLTMFTYCL-UHFFFAOYSA-N 0 0 440.455 6.082 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008603949 562956266 /nfs/dbraw/zinc/95/62/66/562956266.db2.gz VWZPSGZHGJIZDQ-UHFFFAOYSA-N 0 0 428.532 6.148 50 0 aggregator IKAARN CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000008605099 562956553 /nfs/dbraw/zinc/95/65/53/562956553.db2.gz JAIVQACONHQPTP-UHFFFAOYSA-N 0 0 445.540 5.178 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4cccc(Cl)c4C)C3)sc2c1 ZINC000008605111 562956556 /nfs/dbraw/zinc/95/65/56/562956556.db2.gz AYOIDZCEHXSFSB-HNNXBMFYSA-N 0 0 429.973 5.512 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4C)C3)sc2c1 ZINC000008605112 562956624 /nfs/dbraw/zinc/95/66/24/562956624.db2.gz AYOIDZCEHXSFSB-OAHLLOKOSA-N 0 0 429.973 5.512 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000008605842 562956862 /nfs/dbraw/zinc/95/68/62/562956862.db2.gz YFQSILGEVCPFFD-UHFFFAOYSA-N 0 0 436.515 5.516 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1Cl ZINC000008606273 562956906 /nfs/dbraw/zinc/95/69/06/562956906.db2.gz CKRLDEIVTFPAER-UHFFFAOYSA-N 0 0 426.303 6.106 50 0 IKAARN CCc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCCC4)c3c2c1 ZINC000008605942 562956913 /nfs/dbraw/zinc/95/69/13/562956913.db2.gz KPIIPOIVBAWEIS-UHFFFAOYSA-N 0 0 430.527 5.402 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1Cn1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008606394 562956987 /nfs/dbraw/zinc/95/69/87/562956987.db2.gz OHJSBYJLNYYCGM-UHFFFAOYSA-N 0 0 440.572 6.352 50 0 IKAARN Cc1cc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)ccc1Cl ZINC000008606454 562957000 /nfs/dbraw/zinc/95/70/00/562957000.db2.gz WRNNDIBOYHZRFW-UHFFFAOYSA-N 0 0 439.987 5.316 50 0 aggregator IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC000008606588 562957107 /nfs/dbraw/zinc/95/71/07/562957107.db2.gz AGHUMTRLJJPBLP-LJQANCHMSA-N 0 0 445.950 5.657 50 0 IKAARN COc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2cc(OC)c(OC)cc32)cc1 ZINC000008607151 562957207 /nfs/dbraw/zinc/95/72/07/562957207.db2.gz MKLLIGMRKGWMGL-UHFFFAOYSA-N 0 0 429.451 5.406 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1OC)[C@@H]2c1ccc(F)cc1 ZINC000008609160 562957697 /nfs/dbraw/zinc/95/76/97/562957697.db2.gz BLUBHABYDUDVJE-HSZRJFAPSA-N 0 0 438.568 6.255 50 0 aggregator IKAARN Cc1ccc2nc(NC(=O)CSc3nccn3Cc3ccc(Cl)cc3)sc2c1 ZINC000008609579 562957848 /nfs/dbraw/zinc/95/78/48/562957848.db2.gz PIEKUYSLHYMTGK-UHFFFAOYSA-N 0 0 428.970 5.234 50 0 IKAARN COC(=O)c1ccc(Cl)cc1NC(=O)N[C@H](C)c1c(C)c(C)sc1-n1cccc1 ZINC000008609958 562957993 /nfs/dbraw/zinc/95/79/93/562957993.db2.gz JLVVGESCSCWCBT-CYBMUJFWSA-N 0 0 431.945 5.478 50 0 aggregator IKAARN Cc1cccc(CNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 ZINC000008609934 562958012 /nfs/dbraw/zinc/95/80/12/562958012.db2.gz VOHAEUTVRIBBQY-UHFFFAOYSA-N 0 0 429.523 6.202 50 0 IKAARN Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000008610881 562958290 /nfs/dbraw/zinc/95/82/90/562958290.db2.gz PZFNOKROBKULJM-MRXNPFEDSA-N 0 0 442.962 5.755 50 0 IKAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)cc1 ZINC000008611404 562958540 /nfs/dbraw/zinc/95/85/40/562958540.db2.gz LUDQZAUOJMBLDI-UHFFFAOYSA-N 0 0 440.547 5.428 50 0 IKAARN CC(=O)c1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)c1 ZINC000008611391 562958575 /nfs/dbraw/zinc/95/85/75/562958575.db2.gz QHUMAHSQCJRMCT-UHFFFAOYSA-N 0 0 426.520 5.120 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)cc1 ZINC000008611528 562958645 /nfs/dbraw/zinc/95/86/45/562958645.db2.gz ORPYVXMJEBECIP-UHFFFAOYSA-N 0 0 445.519 5.955 50 0 IKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000008612320 562959193 /nfs/dbraw/zinc/95/91/93/562959193.db2.gz NEQHAUSIUVKQFV-UHFFFAOYSA-N 0 0 449.935 5.053 50 0 IKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1OCC ZINC000008612510 562959234 /nfs/dbraw/zinc/95/92/34/562959234.db2.gz QDBNYDMFFPRCDQ-UHFFFAOYSA-N 0 0 435.480 5.458 50 0 IKAARN Cc1ccc2c(=O)cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)oc2c1C ZINC000008612419 562959239 /nfs/dbraw/zinc/95/92/39/562959239.db2.gz SDCBJBLFQSYYDM-UHFFFAOYSA-N 0 0 437.451 5.639 50 0 IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3)c2)cc1OC ZINC000008612817 562959322 /nfs/dbraw/zinc/95/93/22/562959322.db2.gz JSDCIHBEAZGADB-UHFFFAOYSA-N 0 0 430.456 5.313 50 0 biogenic IKAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000008613893 562959458 /nfs/dbraw/zinc/95/94/58/562959458.db2.gz BXVAKVXMNKXBLF-HNNXBMFYSA-N 0 0 441.453 5.008 50 0 IKAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000008613894 562959464 /nfs/dbraw/zinc/95/94/64/562959464.db2.gz BXVAKVXMNKXBLF-OAHLLOKOSA-N 0 0 441.453 5.008 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000008614129 562959502 /nfs/dbraw/zinc/95/95/02/562959502.db2.gz GXIOYDPRYKWDSP-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000008614154 562959611 /nfs/dbraw/zinc/95/96/11/562959611.db2.gz AKEADVBGXCJSLS-UHFFFAOYSA-N 0 0 447.604 5.915 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2nc(-c3cccs3)no2)c1 ZINC000008614309 562959681 /nfs/dbraw/zinc/95/96/81/562959681.db2.gz MGABSNCRTQUOBE-UHFFFAOYSA-N 0 0 445.573 5.570 50 0 IKAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000008654171 562960232 /nfs/dbraw/zinc/96/02/32/562960232.db2.gz KVGKKAKGVURXRD-UHFFFAOYSA-N 0 0 447.461 5.601 50 0 IKAARN Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(NCc2ccc(Cl)cc2Cl)n1 ZINC000008670734 562960735 /nfs/dbraw/zinc/96/07/35/562960735.db2.gz AGAYXIREIJZWSY-MHZLTWQESA-N 0 0 440.783 5.665 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000008672352 562961075 /nfs/dbraw/zinc/96/10/75/562961075.db2.gz DIWXLDADNWFYOC-HNNXBMFYSA-N 0 0 440.771 5.316 50 0 IKAARN CCc1ccccc1NC(=O)c1sc(-n2nc(C)c(Cc3ccccc3)c2C)nc1C ZINC000008673568 562961211 /nfs/dbraw/zinc/96/12/11/562961211.db2.gz VRNYQBNHGVAZHY-UHFFFAOYSA-N 0 0 430.577 5.660 50 0 IKAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OC(=O)c1ccccc1F ZINC000008673528 562961226 /nfs/dbraw/zinc/96/12/26/562961226.db2.gz YTGAPMIYVZWPLS-UHFFFAOYSA-N 0 0 448.446 5.452 50 0 IKAARN Cc1nc(-n2nc(C)c(Cc3ccc(Cl)cc3)c2C)sc1C(=O)N1CCC(C)CC1 ZINC000008673583 562961228 /nfs/dbraw/zinc/96/12/28/562961228.db2.gz OJTSXQITEXKJKW-UHFFFAOYSA-N 0 0 443.016 5.370 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)cc1 ZINC000008673561 562961250 /nfs/dbraw/zinc/96/12/50/562961250.db2.gz LIHMIIBIZNRLKE-UHFFFAOYSA-N 0 0 444.560 5.300 50 0 IKAARN CCOc1cc(-c2ccc(OC(=O)c3ccccc3F)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000008673555 562961251 /nfs/dbraw/zinc/96/12/51/562961251.db2.gz YNNSCAXRTKKBPC-UHFFFAOYSA-N 0 0 432.447 5.834 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 ZINC000008673680 562961297 /nfs/dbraw/zinc/96/12/97/562961297.db2.gz HTJJBWFVJABACL-UHFFFAOYSA-N 0 0 439.606 5.352 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000008683342 562961929 /nfs/dbraw/zinc/96/19/29/562961929.db2.gz XXUHWZPUSQIHCR-LJQANCHMSA-N 0 0 441.984 5.093 50 0 IKAARN C[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000008683421 562962028 /nfs/dbraw/zinc/96/20/28/562962028.db2.gz LAOSXDFJKGEUSY-AYJWMTRPSA-N 0 0 440.330 5.875 50 0 IKAARN O=C(NCCn1cc(SCc2ccc(F)cc2)c2ccccc21)c1c(F)cccc1F ZINC000008683908 562962081 /nfs/dbraw/zinc/96/20/81/562962081.db2.gz QMWGWDOPRWPLBD-UHFFFAOYSA-N 0 0 440.490 5.781 50 0 IKAARN COc1ccccc1NC(=O)Nc1cc(NC(=O)Nc2ccccc2OC)c(C)nc1C ZINC000008684509 562962175 /nfs/dbraw/zinc/96/21/75/562962175.db2.gz VTJGMANDVDAQHG-UHFFFAOYSA-N 0 0 435.484 5.004 50 0 IKAARN COc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc31)oc1ccccc12 ZINC000008684846 562962232 /nfs/dbraw/zinc/96/22/32/562962232.db2.gz LDKAMSSVHFWIMX-UHFFFAOYSA-N 0 0 445.478 6.457 50 0 aggregator IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nc3ccccc3n1C)oc1ccccc12 ZINC000008684869 562962283 /nfs/dbraw/zinc/96/22/83/562962283.db2.gz ZBXPOEZBBLPVLJ-CQSZACIVSA-N 0 0 431.517 5.601 50 0 IKAARN COc1cc2c(cc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)oc1ccccc12 ZINC000008685186 562962396 /nfs/dbraw/zinc/96/23/96/562962396.db2.gz FUBUELHMJDMBQJ-UHFFFAOYSA-N 0 0 431.488 5.688 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000008685423 562962469 /nfs/dbraw/zinc/96/24/69/562962469.db2.gz FXSYYMGBMPXVBO-FJYWNGDUSA-N 0 0 444.531 5.166 50 0 IKAARN C[C@@]1(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1(Br)Br ZINC000008685907 562962650 /nfs/dbraw/zinc/96/26/50/562962650.db2.gz VKYLIJKMBHFFAO-SFHVURJKSA-N 0 0 437.175 5.112 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)nc1C ZINC000008686056 562962707 /nfs/dbraw/zinc/96/27/07/562962707.db2.gz FCHAMQYISDHWJM-JJLQIIEPSA-N 0 0 442.588 5.612 50 0 IKAARN Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1 ZINC000008686284 562962711 /nfs/dbraw/zinc/96/27/11/562962711.db2.gz QFBNCPDZJWRRDI-UHFFFAOYSA-N 0 0 431.952 5.944 50 0 IKAARN CC[C@H](C)c1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1 ZINC000008686311 562962809 /nfs/dbraw/zinc/96/28/09/562962809.db2.gz WLMAUYANGCNLEK-INIZCTEOSA-N 0 0 443.503 5.507 50 0 aggregator IKAARN CCc1ccc(NC(=O)[C@H](C)Oc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 ZINC000008686979 562962950 /nfs/dbraw/zinc/96/29/50/562962950.db2.gz VLGXWFQMNVOYIC-AWEZNQCLSA-N 0 0 436.562 5.297 50 0 IKAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3c(s1)-c1c(C)cccc1OC3)CC2 ZINC000008690995 562963316 /nfs/dbraw/zinc/96/33/16/562963316.db2.gz BYBZEJVMDIQQLG-HNNXBMFYSA-N 0 0 435.545 5.393 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc3c(s1)c1cc(C)ccc1oc3=O)CC2 ZINC000008690982 562963326 /nfs/dbraw/zinc/96/33/26/562963326.db2.gz QBSSNIZJAVVWPO-CQSZACIVSA-N 0 0 449.528 5.093 50 0 IKAARN O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000008801939 562964283 /nfs/dbraw/zinc/96/42/83/562964283.db2.gz BOQYONHSZZJKQN-UHFFFAOYSA-N 0 0 444.666 5.533 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000008830475 562964860 /nfs/dbraw/zinc/96/48/60/562964860.db2.gz NFCWSCJCICLRQJ-GOSISDBHSA-N 0 0 437.521 5.498 50 0 aggregator IKAARN CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000008830805 562964875 /nfs/dbraw/zinc/96/48/75/562964875.db2.gz KLBYSJFHEWRATP-UHFFFAOYSA-N 0 0 443.330 6.287 50 0 aggregator IKAARN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCCC(C)C)c4)cc3n2)cc1 ZINC000008830820 562964879 /nfs/dbraw/zinc/96/48/79/562964879.db2.gz YZQMLMCSZLYKKQ-UHFFFAOYSA-N 0 0 430.508 5.106 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)NCc2ccc(F)cc2)cc1 ZINC000008860288 562965338 /nfs/dbraw/zinc/96/53/38/562965338.db2.gz WCVIYEIVYAYKTG-UHFFFAOYSA-N 0 0 431.536 5.077 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 ZINC000008997578 562966589 /nfs/dbraw/zinc/96/65/89/562966589.db2.gz UECYFSURCKYFNT-UHFFFAOYSA-N 0 0 437.565 6.267 50 0 IKAARN CC(=O)Nc1ccc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)cc1 ZINC000009090317 562966908 /nfs/dbraw/zinc/96/69/08/562966908.db2.gz FYTIIWIERRXYRQ-QHCPKHFHSA-N 0 0 440.528 5.177 50 0 IKAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](Nc2ccccc2)c2cccnc2)cc1 ZINC000009193014 562968134 /nfs/dbraw/zinc/96/81/34/562968134.db2.gz CHXUUZWXXVSHNQ-DICHSLLOSA-N 0 0 449.535 6.211 50 0 IKAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](Nc2ccccc2)c2cccnc2)cc1 ZINC000009193015 562968144 /nfs/dbraw/zinc/96/81/44/562968144.db2.gz CHXUUZWXXVSHNQ-HVIPQOSHSA-N 0 0 449.535 6.211 50 0 IKAARN CCN1c2cc(NC(=O)NCc3ccccc3Cl)ccc2Sc2ccccc2C1=O ZINC000009251525 562968432 /nfs/dbraw/zinc/96/84/32/562968432.db2.gz SYNOSDFMKXGRHL-UHFFFAOYSA-N 0 0 437.952 5.793 50 0 IKAARN c1c(-c2ccccc2)n[nH]c1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 ZINC000009291830 562968993 /nfs/dbraw/zinc/96/89/93/562968993.db2.gz TZFAMUNSQMIJJV-UHFFFAOYSA-N 0 0 434.528 5.360 50 0 IKAARN O=C(C=Cc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000009332356 562969314 /nfs/dbraw/zinc/96/93/14/562969314.db2.gz IQDBDUNKWBFWHB-UUFSLDAJSA-N 0 0 437.478 5.125 50 0 IKAARN c1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 ZINC000009357879 562969518 /nfs/dbraw/zinc/96/95/18/562969518.db2.gz GYFFWCFUVULZGK-QHCPKHFHSA-N 0 0 426.479 6.230 50 0 IKAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)cc1 ZINC000009419948 562970387 /nfs/dbraw/zinc/97/03/87/562970387.db2.gz NIDLJCMHUTXGSS-QHCPKHFHSA-N 0 0 442.544 5.307 50 0 IKAARN CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009427328 562970447 /nfs/dbraw/zinc/97/04/47/562970447.db2.gz FBULPKPHMSLOMY-NRFANRHFSA-N 0 0 440.385 5.193 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009433289 562970918 /nfs/dbraw/zinc/97/09/18/562970918.db2.gz IIZICNJFHVCTGE-BJKOFHAPSA-N 0 0 446.572 5.526 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000009433288 562970920 /nfs/dbraw/zinc/97/09/20/562970920.db2.gz IIZICNJFHVCTGE-RPWUZVMVSA-N 0 0 446.572 5.526 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433259 562970933 /nfs/dbraw/zinc/97/09/33/562970933.db2.gz LGNTZQIHXXXLLH-DHIUTWEWSA-N 0 0 434.561 5.332 50 0 IKAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000009433581 562970984 /nfs/dbraw/zinc/97/09/84/562970984.db2.gz PBJQSQNEXIIZNA-LOSJGSFVSA-N 0 0 444.600 6.173 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 ZINC000009540261 562973130 /nfs/dbraw/zinc/97/31/30/562973130.db2.gz NZLZEIUZVZUUDV-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(Cl)c(OC)cc1OC ZINC000009775679 562976721 /nfs/dbraw/zinc/97/67/21/562976721.db2.gz GHBJDYCGWVAGAT-UHFFFAOYSA-N 0 0 430.888 5.224 50 0 IKAARN COc1cccc(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1OC ZINC000009764540 562976725 /nfs/dbraw/zinc/97/67/25/562976725.db2.gz ZBOAAICMUAAWKF-UHFFFAOYSA-N 0 0 425.912 5.208 50 0 IKAARN Cc1ccc(C)c(CSc2cn(CCNC(=O)c3ccccc3F)c3ccccc23)c1 ZINC000009775808 562976793 /nfs/dbraw/zinc/97/67/93/562976793.db2.gz LCPCJIAMADHAIS-UHFFFAOYSA-N 0 0 432.564 6.120 50 0 IKAARN CC(=O)Nc1ccc([C@@H]2NC(=O)N=C3Nc4ccccc4SC(c4ccccc4)=C32)cc1 ZINC000012379611 562981844 /nfs/dbraw/zinc/98/18/44/562981844.db2.gz PBWPPXSSJRMERN-QFIPXVFZSA-N 0 0 440.528 5.246 50 0 IKAARN O=C(c1cc(Cl)nc2ccccc21)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000012950794 562983639 /nfs/dbraw/zinc/98/36/39/562983639.db2.gz RJJVBTRFPJRRQR-UHFFFAOYSA-N 0 0 439.302 5.396 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c3ccccc3n2)cc1OC ZINC000013004214 562983910 /nfs/dbraw/zinc/98/39/10/562983910.db2.gz ZGXYQIGRCUWYMZ-INIZCTEOSA-N 0 0 444.453 5.334 50 0 IKAARN COc1ccc(-c2cc(C(=O)N(C)Cc3ccc(F)cc3)c3ccccc3n2)cc1OC ZINC000013008533 562984025 /nfs/dbraw/zinc/98/40/25/562984025.db2.gz PODLJCCCRYNUTA-UHFFFAOYSA-N 0 0 430.479 5.330 50 0 IKAARN CC[C@@H]1CCCC[N@@H+]1C[C@H](C(C)=O)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000016958108 563021174 /nfs/dbraw/zinc/02/11/74/563021174.db2.gz NMNHSZRPCOBOLX-BKULYWANSA-N 0 0 433.548 5.100 50 0 IKAARN Cc1ccc2nc(NC(=N)NC(=O)N3c4ccccc4Sc4ccccc43)nc(C)c2c1 ZINC000017249694 563021818 /nfs/dbraw/zinc/02/18/18/563021818.db2.gz HWWYFDPOCUXWPV-UHFFFAOYSA-N 0 0 440.532 5.606 50 0 aggregator IKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCc1ccc(OC)c(OC)c1 ZINC000019792096 563022956 /nfs/dbraw/zinc/02/29/56/563022956.db2.gz UUJMUEZTDVHYSB-UHFFFAOYSA-N 0 0 428.916 5.045 50 0 IKAARN Brc1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1 ZINC000020405835 563024697 /nfs/dbraw/zinc/02/46/97/563024697.db2.gz PLHQKCXFAHOHFS-UHFFFAOYSA-N 0 0 430.371 5.020 50 0 IKAARN O=C1NC(=S)SC1=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000028703284 563061665 /nfs/dbraw/zinc/06/16/65/563061665.db2.gz YVKUMFSZMLLNJL-HYARGMPZSA-N 0 0 433.554 6.174 50 0 IKAARN CC(C)(O)[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4Cc5c6ccccc6[nH]c5[C@]4(C)[C@@]3(C)CC[C@@H]2O1 ZINC000028965667 563070952 /nfs/dbraw/zinc/07/09/52/563070952.db2.gz SVYIMXYKHRBHSG-KYYKPQATSA-N 0 0 437.624 5.104 50 0 in-vitro IKAARN O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000038204417 563096975 /nfs/dbraw/zinc/09/69/75/563096975.db2.gz JBRNEVFTJPFTDM-BOSJPIGCSA-N 0 0 428.482 6.402 50 0 IKAARN CCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC ZINC000040866792 563108885 /nfs/dbraw/zinc/10/88/85/563108885.db2.gz PGDAEUTURQTTPZ-QGZVFWFLSA-N 0 0 430.961 5.636 50 0 IKAARN Clc1ccc(CN2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1Cl ZINC000054074882 563142227 /nfs/dbraw/zinc/14/22/27/563142227.db2.gz JVRAJKKUBGAXMB-UHFFFAOYSA-N 0 0 433.408 5.199 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000082053853 563172927 /nfs/dbraw/zinc/17/29/27/563172927.db2.gz QQODLKZGRKWIFG-XFQXTVEOSA-N 0 0 434.294 6.317 50 0 in-man IKAARN CC(=O)O[C@@H](C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 ZINC000023313318 568617733 /nfs/dbraw/zinc/61/77/33/568617733.db2.gz FJUGQJFQYMNPAH-HHHXNRCGSA-N 0 0 427.544 5.439 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CN(c1ccc(Cl)nc1)CC2 ZINC000023314645 568618147 /nfs/dbraw/zinc/61/81/47/568618147.db2.gz JZTMWBHISZMUTP-UHFFFAOYSA-N 0 0 447.988 5.055 50 0 IKAARN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 ZINC000106171060 568625017 /nfs/dbraw/zinc/62/50/17/568625017.db2.gz QOXBPKJTVZKVHV-YRNRMSPPSA-N 0 0 438.959 5.187 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1C)C(=O)N(c1ccccc1)c1ccccc1 ZINC000000899376 568635354 /nfs/dbraw/zinc/63/53/54/568635354.db2.gz QURSVOFZYVSHOS-QGZVFWFLSA-N 0 0 430.533 5.033 50 0 IKAARN COc1cccc(OCCn2cc(/C=C3\N=C(c4ccccc4)OC3=O)c3ccccc32)c1 ZINC000210962723 568635373 /nfs/dbraw/zinc/63/53/73/568635373.db2.gz HYLABUKGCJSZNI-JLPGSUDCSA-N 0 0 438.483 5.073 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000900899 568635965 /nfs/dbraw/zinc/63/59/65/568635965.db2.gz XTYIBOBFVYBSTO-ZDUSSCGKSA-N 0 0 433.455 5.290 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000000900256 568636000 /nfs/dbraw/zinc/63/60/00/568636000.db2.gz JLAHMPDXOLESRQ-IBGZPJMESA-N 0 0 443.576 5.125 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919288 568637128 /nfs/dbraw/zinc/63/71/28/568637128.db2.gz RZPAXJUQVLFKQV-CRAIPNDOSA-N 0 0 432.446 5.686 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000000919453 568637135 /nfs/dbraw/zinc/63/71/35/568637135.db2.gz YKEWWKPTTWZMRI-NRXGSXMXSA-N 0 0 432.446 5.902 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N(C)c3ccccc3)n2)cc1 ZINC000000920482 568637366 /nfs/dbraw/zinc/63/73/66/568637366.db2.gz ZUJSZUUWNNYFBU-UHFFFAOYSA-N 0 0 447.482 5.316 50 0 IKAARN COc1ccc(NCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 ZINC000000925132 568637892 /nfs/dbraw/zinc/63/78/92/568637892.db2.gz 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CCOc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)cc1 ZINC000025141996 568639522 /nfs/dbraw/zinc/63/95/22/568639522.db2.gz UBUNHYHTINEPRO-NRFANRHFSA-N 0 0 438.575 5.719 50 0 IKAARN Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000025142461 568639879 /nfs/dbraw/zinc/63/98/79/568639879.db2.gz UQKYIFDJDNUEJI-HHHXNRCGSA-N 0 0 440.518 5.814 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(OC)c(C)c1)n2Cc1ccccn1 ZINC000025142156 568639905 /nfs/dbraw/zinc/63/99/05/568639905.db2.gz DPGPAUDREFYWGH-UHFFFAOYSA-N 0 0 447.560 5.266 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C)c3)c2)n(-c2ccccc2C)n1 ZINC000025143776 568639918 /nfs/dbraw/zinc/63/99/18/568639918.db2.gz LNWYFZOFGVBNOX-UHFFFAOYSA-N 0 0 439.515 5.585 50 0 IKAARN COc1cc(OC)cc(C(=O)N(C)c2ccc(-c3onc4c3CCc3ccccc3-4)cc2)c1 ZINC000025142427 568639920 /nfs/dbraw/zinc/63/99/20/568639920.db2.gz WCFLINYBTROKHL-UHFFFAOYSA-N 0 0 440.499 5.401 50 0 IKAARN COc1ccc2sc(C(=O)N[C@H](Cc3ccc(C)cc3)c3ccccc3)c(Cl)c2c1 ZINC000025142365 568639928 /nfs/dbraw/zinc/63/99/28/568639928.db2.gz HNXOKNLUFRAJIN-OAQYLSRUSA-N 0 0 435.976 6.586 50 0 IKAARN O=c1c2cc(Br)ccc2nc(-c2cccc3ccccc32)n1Cc1ccccc1 ZINC000025143744 568640024 /nfs/dbraw/zinc/64/00/24/568640024.db2.gz YVCULPJGWZVJIG-UHFFFAOYSA-N 0 0 441.328 6.028 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)c(C)c1)n2Cc1cccc(F)c1 ZINC000025142318 568640028 /nfs/dbraw/zinc/64/00/28/568640028.db2.gz HVOGTRQSFJFQIF-UHFFFAOYSA-N 0 0 448.563 6.310 50 0 IKAARN CCCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1 ZINC000025142593 568640128 /nfs/dbraw/zinc/64/01/28/568640128.db2.gz WFIGTCDSAMXOPC-UHFFFAOYSA-N 0 0 441.531 5.351 50 0 IKAARN O=C(Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1)c1ccc(Cl)nc1 ZINC000025142745 568640234 /nfs/dbraw/zinc/64/02/34/568640234.db2.gz QQCXBRGZDPDRCA-UHFFFAOYSA-N 0 0 443.890 5.488 50 0 IKAARN Cc1ccc(-c2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)n(-c3ccccc3)n2)cc1 ZINC000025142880 568640251 /nfs/dbraw/zinc/64/02/51/568640251.db2.gz NDWCFELJTIGLGI-UHFFFAOYSA-N 0 0 439.412 6.258 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3F)c2)n(-c2ccccc2C)n1 ZINC000025145495 568640453 /nfs/dbraw/zinc/64/04/53/568640453.db2.gz RCTYUTXEAUNZRU-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000000939172 568640489 /nfs/dbraw/zinc/64/04/89/568640489.db2.gz NZSDUOWCDCIVBG-UHFFFAOYSA-N 0 0 432.090 5.091 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2cc3ccccc3s2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000025145552 568640496 /nfs/dbraw/zinc/64/04/96/568640496.db2.gz ITFSDVRMIGXIPE-UHFFFAOYSA-N 0 0 444.387 6.944 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3C)c2)n(-c2ccc(F)cc2)n1 ZINC000025144488 568640654 /nfs/dbraw/zinc/64/06/54/568640654.db2.gz XBJLDVPJPPLRSR-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN COc1ccc(-c2cnc3ncnn3c2NCc2c(C)cc(Cl)cc2Cl)cc1OC ZINC000025144377 568640657 /nfs/dbraw/zinc/64/06/57/568640657.db2.gz DIUUCBFTBVJWOB-UHFFFAOYSA-N 0 0 444.322 5.036 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000025145040 568640872 /nfs/dbraw/zinc/64/08/72/568640872.db2.gz ZYAOPCUPLIPKSO-UHFFFAOYSA-N 0 0 444.268 6.377 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3F)c2)n(-c2cccc(C)c2)n1 ZINC000025144858 568640967 /nfs/dbraw/zinc/64/09/67/568640967.db2.gz HDAKHPSFTZOGKT-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN COc1cc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc(OC)c1OC ZINC000025145893 568641102 /nfs/dbraw/zinc/64/11/02/568641102.db2.gz QQJPZJONKCSHLK-QGZVFWFLSA-N 0 0 442.515 5.419 50 0 IKAARN COc1ccc(-c2ccc3nc(-c4c(F)c(F)cc(F)c4F)oc3c2)c(OC)c1OC ZINC000025146443 568641139 /nfs/dbraw/zinc/64/11/39/568641139.db2.gz UJANWMCDVXQHOR-UHFFFAOYSA-N 0 0 433.357 5.744 50 0 IKAARN O=C(NCCCCc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025145805 568641152 /nfs/dbraw/zinc/64/11/52/568641152.db2.gz NDYXTFRFNHGIGU-UHFFFAOYSA-N 0 0 445.566 6.650 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000025146680 568641202 /nfs/dbraw/zinc/64/12/02/568641202.db2.gz HNKJWWAQMOTLRC-RUZDIDTESA-N 0 0 428.919 6.091 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccs3)c2)n(-c2ccccc2F)n1 ZINC000025145855 568641204 /nfs/dbraw/zinc/64/12/04/568641204.db2.gz ASWLGUYJJFJTST-UHFFFAOYSA-N 0 0 435.480 5.169 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cccc5ccccc54)cc3)n[nH]2)c1 ZINC000025147626 568641326 /nfs/dbraw/zinc/64/13/26/568641326.db2.gz KEVYQMUQWRJVDV-UHFFFAOYSA-N 0 0 433.511 5.836 50 0 IKAARN CCOC(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)c(NC(=O)c2ccc(F)cc2F)c1 ZINC000025147606 568641353 /nfs/dbraw/zinc/64/13/53/568641353.db2.gz LHXKKIRHPNALEX-UHFFFAOYSA-N 0 0 449.457 5.350 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccs3)c2)n(-c2ccc(OC)cc2)n1 ZINC000025147738 568641366 /nfs/dbraw/zinc/64/13/66/568641366.db2.gz MXQMKMMSTXBGLR-UHFFFAOYSA-N 0 0 447.516 5.038 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000025148011 568641474 /nfs/dbraw/zinc/64/14/74/568641474.db2.gz GOOCFQWHGZWLEA-UHFFFAOYSA-N 0 0 446.528 5.731 50 0 IKAARN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000941485 568641684 /nfs/dbraw/zinc/64/16/84/568641684.db2.gz WNLVQXSHJMGGTM-DHZHZOJOSA-N 0 0 429.339 5.623 50 0 IKAARN O=C(CCSc1ncnc2sc3c(c21)CCCC3)Nc1cccc(C(F)(F)F)c1 ZINC000000942216 568641750 /nfs/dbraw/zinc/64/17/50/568641750.db2.gz QFGYSBZJPBNLMC-UHFFFAOYSA-N 0 0 437.512 5.710 50 0 IKAARN CCOc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000000942466 568641880 /nfs/dbraw/zinc/64/18/80/568641880.db2.gz LSNOGBJIRIHKAE-VIZOYTHASA-N 0 0 437.923 5.978 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(OC)cc3OC)ccc2oc1-c1ccccc1 ZINC000000942054 568641949 /nfs/dbraw/zinc/64/19/49/568641949.db2.gz CRFYDFOYVZQUNZ-UHFFFAOYSA-N 0 0 446.455 5.513 50 0 IKAARN O=C(Nc1ccc(C(=O)Oc2ccccc2)c(O)c1)c1ccccc1C(=O)c1ccccc1 ZINC000000942394 568641966 /nfs/dbraw/zinc/64/19/66/568641966.db2.gz WTQNDVODKQDDEC-UHFFFAOYSA-N 0 0 437.451 5.095 50 0 IKAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025148441 568642146 /nfs/dbraw/zinc/64/21/46/568642146.db2.gz 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CCN(C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)C1CCCCC1 ZINC000025150254 568643148 /nfs/dbraw/zinc/64/31/48/568643148.db2.gz KELSSGZTNALHCC-UHFFFAOYSA-N 0 0 444.604 6.003 50 0 IKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2ccc(-c3ccccc3)cc2)cc1 ZINC000025150770 568643357 /nfs/dbraw/zinc/64/33/57/568643357.db2.gz XGJWSRZXINHGHM-UHFFFAOYSA-N 0 0 443.550 6.445 50 0 IKAARN COc1ccccc1-c1cccc(-c2cccc(NC(=O)c3oc4ccccc4c3C)c2)n1 ZINC000025154786 568643515 /nfs/dbraw/zinc/64/35/15/568643515.db2.gz ZNHCWKBGAZCWGW-UHFFFAOYSA-N 0 0 434.495 6.731 50 0 IKAARN CCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000000947036 568643614 /nfs/dbraw/zinc/64/36/14/568643614.db2.gz JDYQPRQMWZFACJ-UHFFFAOYSA-N 0 0 426.774 5.074 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc3cccnc31)n2Cc1ccco1 ZINC000025156767 568643807 /nfs/dbraw/zinc/64/38/07/568643807.db2.gz YZHFONFEYGOAAZ-UHFFFAOYSA-N 0 0 443.528 5.695 50 0 IKAARN O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000000948015 568643818 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443.572 6.695 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000000953993 568647010 /nfs/dbraw/zinc/64/70/10/568647010.db2.gz MNRAWNPTBHOGSJ-DEOSSOPVSA-N 0 0 446.963 5.362 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1Cl ZINC000000970483 568647567 /nfs/dbraw/zinc/64/75/67/568647567.db2.gz FNUNQDXNHHPNOH-UHFFFAOYSA-N 0 0 438.734 5.192 50 0 IKAARN COc1ccc(C(=O)N(C)[C@@H](C(=O)Nc2c(C)cccc2C)c2ccccc2Cl)cc1 ZINC000000973593 568647831 /nfs/dbraw/zinc/64/78/31/568647831.db2.gz PTKGOFGCYRLKJP-HSZRJFAPSA-N 0 0 436.939 5.417 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 ZINC000000973462 568647833 /nfs/dbraw/zinc/64/78/33/568647833.db2.gz CXFPJVZGEIOXAC-ZEQRLZLVSA-N 0 0 432.520 5.279 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1 ZINC000000977035 568648338 /nfs/dbraw/zinc/64/83/38/568648338.db2.gz CEVRXKLJCVSDNA-UHFFFAOYSA-N 0 0 444.560 5.047 50 0 IKAARN COCCOc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)ccc1OC ZINC000025224848 568648512 /nfs/dbraw/zinc/64/85/12/568648512.db2.gz LFQYTLWIOZHKQV-UHFFFAOYSA-N 0 0 444.487 5.295 50 0 IKAARN CC[C@H](C)N1C(=O)S/C(=C\c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O ZINC000000980904 568648788 /nfs/dbraw/zinc/64/87/88/568648788.db2.gz UDIXAHMHOUVQON-RIWZNOJBSA-N 0 0 447.560 5.423 50 0 IKAARN CC(=O)n1c2ccccc2c(NC(=O)c2ccccc2)c1SCC(=O)Nc1ccccc1 ZINC000000983685 568648870 /nfs/dbraw/zinc/64/88/70/568648870.db2.gz JIABBEUWKMQBCD-UHFFFAOYSA-N 0 0 443.528 5.285 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)c1ccc(Br)o1 ZINC000000993541 568649004 /nfs/dbraw/zinc/64/90/04/568649004.db2.gz NQEPLHRMPSRGNA-UHFFFAOYSA-N 0 0 449.688 5.209 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000000990096 568649056 /nfs/dbraw/zinc/64/90/56/568649056.db2.gz VJAXNEIEEZAGNW-MHZLTWQESA-N 0 0 447.962 5.645 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cccc4c(Br)cccc34)sc2c1 ZINC000000995230 568649398 /nfs/dbraw/zinc/64/93/98/568649398.db2.gz QHNMUOPXFAPMEV-UHFFFAOYSA-N 0 0 427.323 5.863 50 0 IKAARN CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc2ccccc2c1 ZINC000000998167 568649575 /nfs/dbraw/zinc/64/95/75/568649575.db2.gz VNYQFBORJCQSIA-VWLOTQADSA-N 0 0 437.499 5.150 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c3ccccc3n2)c1 ZINC000000999838 568649772 /nfs/dbraw/zinc/64/97/72/568649772.db2.gz QNTYBPFOCCOVDI-UHFFFAOYSA-N 0 0 439.515 5.536 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3nc(C(C)(C)C)cs3)c3ccccc3n2)c1 ZINC000000999730 568649788 /nfs/dbraw/zinc/64/97/88/568649788.db2.gz ZERGEISKYBOQOY-UHFFFAOYSA-N 0 0 431.561 6.307 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)Nc3nc4ccc(C)cc4s3)o2)c(C)c1Br ZINC000000999792 568649798 /nfs/dbraw/zinc/64/97/98/568649798.db2.gz BOFKLWMHCZDPLH-UHFFFAOYSA-N 0 0 445.342 5.074 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000000999925 568649803 /nfs/dbraw/zinc/64/98/03/568649803.db2.gz KBPCPCRFQSRDEQ-UHFFFAOYSA-N 0 0 431.517 5.593 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)o2)c(C)c1Br ZINC000001000832 568650077 /nfs/dbraw/zinc/65/00/77/568650077.db2.gz AYDVNOZUGOXDKJ-UHFFFAOYSA-N 0 0 442.235 5.175 50 0 IKAARN CN(C(=O)c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001006249 568650482 /nfs/dbraw/zinc/65/04/82/568650482.db2.gz PKDQEYNHSLQCCX-UHFFFAOYSA-N 0 0 429.303 5.288 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2csc(C)c2)sc2c1CCCC2 ZINC000001009298 568651173 /nfs/dbraw/zinc/65/11/73/568651173.db2.gz KLNKHDVZGURPRS-UHFFFAOYSA-N 0 0 426.563 5.510 50 0 IKAARN CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)Nc3ccc(Cl)cc3Cl)cc2N1 ZINC000001009262 568651201 /nfs/dbraw/zinc/65/12/01/568651201.db2.gz XWUIZJGZCOWEFQ-KBPBESRZSA-N 0 0 435.277 5.776 50 0 IKAARN O=C1OC(C2CCCCC2)=N/C1=C\c1ccc(/C=C2\N=C(C3CCCCC3)OC2=O)cc1 ZINC000211052510 568651461 /nfs/dbraw/zinc/65/14/61/568651461.db2.gz BTYFGDOUWLHOIA-BMJUYKDLSA-N 0 0 432.520 5.440 50 0 IKAARN CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000001020574 568652853 /nfs/dbraw/zinc/65/28/53/568652853.db2.gz KEHBHRNPIGCMOS-UHFFFAOYSA-N 0 0 445.466 6.089 50 0 IKAARN O=C(NCc1ccco1)Nc1ccc(-c2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000001020872 568652921 /nfs/dbraw/zinc/65/29/21/568652921.db2.gz RSALCXDTGKDEAU-UHFFFAOYSA-N 0 0 430.464 5.183 50 0 IKAARN CC1=C[C@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C ZINC000001028673 568653550 /nfs/dbraw/zinc/65/35/50/568653550.db2.gz OLBNGLBVDWDALE-RQCNGFAASA-N 0 0 441.568 5.380 50 0 biogenic IKAARN Cc1cc(C)c(NC(=O)Nc2ccc(NC(=O)Nc3c(C)cc(C)cc3C)cc2)c(C)c1 ZINC000001057015 568653887 /nfs/dbraw/zinc/65/38/87/568653887.db2.gz DSCNVGTXRIMYDE-UHFFFAOYSA-N 0 0 430.552 6.825 50 0 IKAARN OC(COc1ccc(Nc2ccccc2)cc1)COc1ccc(Nc2ccccc2)cc1 ZINC000001049724 568654333 /nfs/dbraw/zinc/65/43/33/568654333.db2.gz ZZMOXLMMPVFJHG-UHFFFAOYSA-N 0 0 426.516 5.993 50 0 IKAARN Nc1c(C(=O)NCc2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000001051418 568654899 /nfs/dbraw/zinc/65/48/99/568654899.db2.gz KQLWBBDIECKOGD-UHFFFAOYSA-N 0 0 433.480 5.556 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NC4CCCCC4)sc3c2)cc1 ZINC000001059437 568655243 /nfs/dbraw/zinc/65/52/43/568655243.db2.gz GTQDHYFTNGVMLP-UHFFFAOYSA-N 0 0 439.606 5.398 50 0 IKAARN Cc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccs5)cc4)c23)cc1 ZINC000001061261 568655766 /nfs/dbraw/zinc/65/57/66/568655766.db2.gz KEADIWOYAUZOIX-UHFFFAOYSA-N 0 0 443.553 6.773 50 0 IKAARN FC(F)(F)c1cccc(NCn2nc(-c3ccccc3Br)oc2=S)c1 ZINC000001064268 568656008 /nfs/dbraw/zinc/65/60/08/568656008.db2.gz UOAWRTJWQZXYTI-UHFFFAOYSA-N 0 0 430.249 5.723 50 0 IKAARN O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001064746 568656074 /nfs/dbraw/zinc/65/60/74/568656074.db2.gz XVHKLEXJOAPXKI-GOEBONIOSA-N 0 0 428.888 5.107 50 0 IKAARN O=C(CSc1ccccc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000025389809 568656277 /nfs/dbraw/zinc/65/62/77/568656277.db2.gz QINQJACZNJRMQL-UHFFFAOYSA-N 0 0 430.451 5.689 50 0 IKAARN CCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCC)c1c2-c1ccc(Cl)cc1 ZINC000001067859 568656303 /nfs/dbraw/zinc/65/63/03/568656303.db2.gz ZIEXYWMHBUHJMQ-UHFFFAOYSA-N 0 0 442.855 5.017 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)c1ccc(C)cc1 ZINC000001074300 568656502 /nfs/dbraw/zinc/65/65/02/568656502.db2.gz XZJZTKOQMVTUAU-JOCHJYFZSA-N 0 0 437.495 5.850 50 0 IKAARN O=C(Cn1c(Br)nc(-c2ccccc2)c1-c1ccccc1)c1ccc(F)cc1 ZINC000001080425 568657134 /nfs/dbraw/zinc/65/71/34/568657134.db2.gz HAJSTDVVFPFRAL-UHFFFAOYSA-N 0 0 435.296 6.002 50 0 IKAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)cc1 ZINC000001081016 568657293 /nfs/dbraw/zinc/65/72/93/568657293.db2.gz WLMBMQKYNAKKBI-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(OC)cc2)cc1 ZINC000001086306 568657502 /nfs/dbraw/zinc/65/75/02/568657502.db2.gz NODPRCRQUHLAAS-AREMUKBSSA-N 0 0 426.516 5.363 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCCC3)cc1 ZINC000001081668 568657507 /nfs/dbraw/zinc/65/75/07/568657507.db2.gz KIDFMVUYHFFJKE-UHFFFAOYSA-N 0 0 434.561 5.459 50 0 IKAARN Cc1ccc2c(Br)cc(Br)c(OC(=O)N3CCCCC3)c2n1 ZINC000001073549 568657705 /nfs/dbraw/zinc/65/77/05/568657705.db2.gz XAKKCQQLPSAUEE-UHFFFAOYSA-N 0 0 428.124 5.053 50 0 IKAARN O=S1(=O)c2ccccc2N[C@H](c2ccc3c4c(cccc42)CC3)N1Cc1ccccc1 ZINC000001101085 568657902 /nfs/dbraw/zinc/65/79/02/568657902.db2.gz SGYPOSQDNJCKRG-SANMLTNESA-N 0 0 426.541 5.254 50 0 IKAARN CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000001098126 568658883 /nfs/dbraw/zinc/65/88/83/568658883.db2.gz KMROETHMNLXCMM-NRFANRHFSA-N 0 0 442.606 5.354 50 0 IKAARN CCOc1ccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC ZINC000025469087 568659345 /nfs/dbraw/zinc/65/93/45/568659345.db2.gz XWBQGENIMXSFES-SFHVURJKSA-N 0 0 432.520 5.179 50 0 IKAARN Cc1oc2c(C)c(OC(=O)c3cccs3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000001160043 568663975 /nfs/dbraw/zinc/66/39/75/568663975.db2.gz KUFBZAUICXCGFB-UHFFFAOYSA-N 0 0 433.510 5.967 50 0 IKAARN O=C1N/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000001164041 568664531 /nfs/dbraw/zinc/66/45/31/568664531.db2.gz CSWYOWVRJXKMKG-XKZIYDEJSA-N 0 0 436.870 5.151 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2ccccc2OCc2cccc(Cl)c2)n1 ZINC000034714124 568732612 /nfs/dbraw/zinc/73/26/12/568732612.db2.gz QMCOKOXZOSBGGY-UHFFFAOYSA-N 0 0 434.948 5.973 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711713 568732631 /nfs/dbraw/zinc/73/26/31/568732631.db2.gz HIVUOWORWXFKOH-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1ccc(-c2noc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)n2)cc1 ZINC000015223674 568732795 /nfs/dbraw/zinc/73/27/95/568732795.db2.gz YKMPITWKZVZSJF-UHFFFAOYSA-N 0 0 440.532 5.288 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)Nc4cc(C)ccc4F)cs3)cc2)c1 ZINC000034717215 568732981 /nfs/dbraw/zinc/73/29/81/568732981.db2.gz VFHBOIBKZCHKAD-UHFFFAOYSA-N 0 0 448.519 6.098 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1 ZINC000001174325 568735508 /nfs/dbraw/zinc/73/55/08/568735508.db2.gz KEXNNLACFROEOK-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br ZINC000001173460 568735600 /nfs/dbraw/zinc/73/56/00/568735600.db2.gz YEUNRJQWHROTLX-SXGWCWSVSA-N 0 0 438.730 5.348 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000001204667 568737078 /nfs/dbraw/zinc/73/70/78/568737078.db2.gz FUKIFEYKMIKKNG-XMMPIXPASA-N 0 0 436.964 5.675 50 0 IKAARN O=C(CCc1nc2ccccc2s1)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000005838444 568737959 /nfs/dbraw/zinc/73/79/59/568737959.db2.gz PQESESOSAZVMKI-UHFFFAOYSA-N 0 0 428.598 5.266 50 0 IKAARN COc1ccc(C2=CN(CC(=O)c3ccc(Br)cc3)C3=CCCCCN23)cc1 ZINC000137065426 568738251 /nfs/dbraw/zinc/73/82/51/568738251.db2.gz FMPBVUCNIMKHJQ-UHFFFAOYSA-N 0 0 439.353 5.282 50 0 IKAARN COc1ccc(-c2nc(C(=O)NCCC3=CCCCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000005908210 568738434 /nfs/dbraw/zinc/73/84/34/568738434.db2.gz KBDBFWVTKCXJJO-UHFFFAOYSA-N 0 0 425.532 6.012 50 0 biogenic IKAARN CCOC(=O)c1c(NC(=S)N2c3ccccc3C[C@@H]2C)sc2c1CCCCCC2 ZINC000005948024 568739119 /nfs/dbraw/zinc/73/91/19/568739119.db2.gz FTZYIKMDTMHIJD-HNNXBMFYSA-N 0 0 428.623 5.732 50 0 IKAARN CCOC(=O)c1c(NC(=S)N2CCCc3cc(C)ccc32)sc2c1CCCCC2 ZINC000005948011 568739177 /nfs/dbraw/zinc/73/91/77/568739177.db2.gz NFTZOJBDVKTLSS-UHFFFAOYSA-N 0 0 428.623 5.652 50 0 IKAARN CCOC(=O)c1c(NC(=S)N2CCCc3ccccc32)sc2c1CCCCCC2 ZINC000005948016 568739227 /nfs/dbraw/zinc/73/92/27/568739227.db2.gz VCFSRPTUVYFUGB-UHFFFAOYSA-N 0 0 428.623 5.733 50 0 IKAARN O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1)c1ccccc1 ZINC000001770967 568739320 /nfs/dbraw/zinc/73/93/20/568739320.db2.gz UTUOULXTXRZHCR-UHFFFAOYSA-N 0 0 444.792 6.351 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)c1cccc(Cl)c1 ZINC000001772401 568739494 /nfs/dbraw/zinc/73/94/94/568739494.db2.gz AWNHNWDIYCNVFY-UHFFFAOYSA-N 0 0 442.854 6.611 50 0 IKAARN Cc1ccc(Oc2coc3cc(OCc4cccc(Br)c4)ccc3c2=O)cc1 ZINC000001781895 568739823 /nfs/dbraw/zinc/73/98/23/568739823.db2.gz ZGOHPGGHPGEELI-UHFFFAOYSA-N 0 0 437.289 6.235 50 0 IKAARN CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(Cl)cc(Cl)cc32)cc1 ZINC000001778644 568739879 /nfs/dbraw/zinc/73/98/79/568739879.db2.gz KVWDLVMNVRJXJE-UHFFFAOYSA-N 0 0 433.291 5.639 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000006023354 568740212 /nfs/dbraw/zinc/74/02/12/568740212.db2.gz NPEUXSMVPWBZJU-SFHVURJKSA-N 0 0 439.621 6.682 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)s2)cc1 ZINC000006016644 568740234 /nfs/dbraw/zinc/74/02/34/568740234.db2.gz WZNADYROUVFJJN-UHFFFAOYSA-N 0 0 426.501 5.614 50 0 IKAARN COc1ccc([C@H](Sc2ccc(Cl)cc2)[C@@H]2CCc3ccccc3C2=O)cc1OC ZINC000001798842 568740407 /nfs/dbraw/zinc/74/04/07/568740407.db2.gz OSDNTUDUPKOALG-BWKNWUBXSA-N 0 0 438.976 6.636 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)Cc1cccc2ccccc21 ZINC000001811753 568741172 /nfs/dbraw/zinc/74/11/72/568741172.db2.gz AARFRCDKHZTGBW-UHFFFAOYSA-N 0 0 433.504 6.065 50 0 IKAARN Nn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl ZINC000031645332 568741177 /nfs/dbraw/zinc/74/11/77/568741177.db2.gz AANBOJAPSVQPNA-UHFFFAOYSA-N 0 0 448.404 5.305 50 0 IKAARN Cc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000001813000 568741196 /nfs/dbraw/zinc/74/11/96/568741196.db2.gz RVXCXYRTTXRPSD-UHFFFAOYSA-N 0 0 428.623 5.745 50 0 IKAARN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 ZINC000031652901 568741444 /nfs/dbraw/zinc/74/14/44/568741444.db2.gz USCUONZVCDWGTM-UHFFFAOYSA-N 0 0 435.593 5.310 50 0 IKAARN CC(C)(C)c1ccccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001835444 568741833 /nfs/dbraw/zinc/74/18/33/568741833.db2.gz CQXQAXVXOIVPCL-UHFFFAOYSA-N 0 0 446.978 6.484 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@](=O)(OC[C@H]3CCCO3)C2=C(N2CCCCC2)C1 ZINC000012491029 568742086 /nfs/dbraw/zinc/74/20/86/568742086.db2.gz FPHJHUUUCKCBSR-PLTNMMHCSA-N 0 0 443.528 5.769 50 0 IKAARN CCN(CC)[P@]1(=Nc2ccc(C)cc2C)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012492307 568742088 /nfs/dbraw/zinc/74/20/88/568742088.db2.gz BTKXFDILNHZZEZ-ZEGXAZIMSA-N 0 0 449.583 6.878 50 0 IKAARN Cc1cc(OCc2cccc(C(F)(F)F)c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000001902785 568742234 /nfs/dbraw/zinc/74/22/34/568742234.db2.gz PRTSGQORGJIKTB-UHFFFAOYSA-N 0 0 438.445 6.598 50 0 IKAARN CCN(CC)[P@]1(=Nc2ccccc2C)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012524680 568742394 /nfs/dbraw/zinc/74/23/94/568742394.db2.gz DOQOWYAHYCBBEV-DHFLNJHPSA-N 0 0 435.556 6.570 50 0 IKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2c[nH]c3ccccc32)cc1 ZINC000001994037 568742400 /nfs/dbraw/zinc/74/24/00/568742400.db2.gz DXUZSARVZBTYNL-UHFFFAOYSA-N 0 0 425.440 5.212 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000002073501 568742536 /nfs/dbraw/zinc/74/25/36/568742536.db2.gz ZPGFMDKPODMHQH-UHFFFAOYSA-N 0 0 434.539 5.777 50 0 IKAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000012526633 568742577 /nfs/dbraw/zinc/74/25/77/568742577.db2.gz XIGSCANVXVSELP-UHFFFAOYSA-N 0 0 428.605 6.536 50 0 IKAARN COc1ccc(C(=O)COc2ccc3c(c2)oc(C)c(Oc2ccccc2OC)c3=O)cc1 ZINC000002101690 568742722 /nfs/dbraw/zinc/74/27/22/568742722.db2.gz VFNHHYFGVAAPQM-UHFFFAOYSA-N 0 0 446.455 5.173 50 0 biogenic IKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 ZINC000002108355 568742728 /nfs/dbraw/zinc/74/27/28/568742728.db2.gz LQOALXBNDYAYRO-FQEVSTJZSA-N 0 0 438.571 6.600 50 0 IKAARN COC(=O)c1cccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)c1 ZINC000002105630 568742824 /nfs/dbraw/zinc/74/28/24/568742824.db2.gz XDWZWRSEJFTTSB-UHFFFAOYSA-N 0 0 430.891 5.903 50 0 IKAARN CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000003202705 568742980 /nfs/dbraw/zinc/74/29/80/568742980.db2.gz TWBJPYZUBKVQNU-IEBWSBKVSA-N 0 0 439.364 5.595 50 0 IKAARN Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)n1 ZINC000003218144 568743127 /nfs/dbraw/zinc/74/31/27/568743127.db2.gz FHCRTVZGDSNQLS-UHFFFAOYSA-N 0 0 438.622 5.995 50 0 IKAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000003215257 568743133 /nfs/dbraw/zinc/74/31/33/568743133.db2.gz CIDSLCGJWUVAAY-UHFFFAOYSA-N 0 0 435.523 5.340 50 0 IKAARN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 ZINC000003226296 568743180 /nfs/dbraw/zinc/74/31/80/568743180.db2.gz MKOLGWPOQJLOHF-UHFFFAOYSA-N 0 0 429.712 5.584 50 0 IKAARN O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003235532 568743301 /nfs/dbraw/zinc/74/33/01/568743301.db2.gz HZBMESUPFREHSN-UHFFFAOYSA-N 0 0 427.498 5.749 50 0 IKAARN C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003233155 568743324 /nfs/dbraw/zinc/74/33/24/568743324.db2.gz XJQXHLRMHUTPEJ-ZCFIWIBFSA-N 0 0 441.492 5.186 50 0 IKAARN O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003238935 568743468 /nfs/dbraw/zinc/74/34/68/568743468.db2.gz JDBYONXNGPOIIG-UHFFFAOYSA-N 0 0 429.033 5.374 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)s2)cc1 ZINC000003247828 568743496 /nfs/dbraw/zinc/74/34/96/568743496.db2.gz XFJUNTOARFMNTO-UHFFFAOYSA-N 0 0 432.574 5.988 50 0 IKAARN Cc1cc(C)c(NC(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000003236994 568743524 /nfs/dbraw/zinc/74/35/24/568743524.db2.gz ASPFWKZFSLMGRL-UHFFFAOYSA-N 0 0 433.348 5.445 50 0 IKAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000003249321 568743667 /nfs/dbraw/zinc/74/36/67/568743667.db2.gz LOSIFGYBCYKHCO-UHFFFAOYSA-N 0 0 428.391 5.701 50 0 IKAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 ZINC000012541756 568744052 /nfs/dbraw/zinc/74/40/52/568744052.db2.gz QQTCXZULJRAQLG-UHFFFAOYSA-N 0 0 448.466 5.375 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1C ZINC000003261225 568744199 /nfs/dbraw/zinc/74/41/99/568744199.db2.gz QADCPUMDMBHZCT-UHFFFAOYSA-N 0 0 444.318 5.544 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003271434 568744625 /nfs/dbraw/zinc/74/46/25/568744625.db2.gz OYOVOMKJZONQIO-UHFFFAOYSA-N 0 0 448.828 5.068 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000003275020 568744829 /nfs/dbraw/zinc/74/48/29/568744829.db2.gz RFBSNGLLAFJUNZ-UHFFFAOYSA-N 0 0 425.897 5.072 50 0 IKAARN O=S(=O)(c1ccc(Br)c(Cl)c1)c1ccc(Br)c(Cl)c1 ZINC000003272349 568744835 /nfs/dbraw/zinc/74/48/35/568744835.db2.gz NRCLGXXRHZAIDE-UHFFFAOYSA-N 0 0 444.959 5.351 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)c1 ZINC000003274959 568744842 /nfs/dbraw/zinc/74/48/42/568744842.db2.gz ZDHQTYCJGZVSPV-QHCPKHFHSA-N 0 0 442.342 6.076 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c1 ZINC000003286809 568744987 /nfs/dbraw/zinc/74/49/87/568744987.db2.gz MOGUGLMMQYDJCJ-UHFFFAOYSA-N 0 0 428.560 5.870 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)N1CCc2ccccc21 ZINC000003288984 568745173 /nfs/dbraw/zinc/74/51/73/568745173.db2.gz XKMSUAVCOHVCSP-UHFFFAOYSA-N 0 0 436.556 5.271 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)O[C@H]3CCCCC3=O)c12 ZINC000003292259 568745369 /nfs/dbraw/zinc/74/53/69/568745369.db2.gz MWJGNZWJJYXTMF-FQEVSTJZSA-N 0 0 431.517 5.126 50 0 IKAARN C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 ZINC000003303372 568745674 /nfs/dbraw/zinc/74/56/74/568745674.db2.gz GOWKIXZZVZDUNT-KUHUBIRLSA-N 0 0 428.508 5.345 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C ZINC000003308981 568745695 /nfs/dbraw/zinc/74/56/95/568745695.db2.gz ODBCAQNHLRFPEL-UHFFFAOYSA-N 0 0 448.523 5.196 50 0 IKAARN C[C@@H](OC(=O)CSC(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000003333101 568746444 /nfs/dbraw/zinc/74/64/44/568746444.db2.gz NNVKXEAGBDSWBB-QGZVFWFLSA-N 0 0 430.529 5.050 50 0 IKAARN Cc1ccc(-c2nnc(SCCOc3ccccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000003337279 568746485 /nfs/dbraw/zinc/74/64/85/568746485.db2.gz QZFHFTMPNIRWGW-UHFFFAOYSA-N 0 0 427.573 6.302 50 0 IKAARN Cc1sc2ncnc(S[C@@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)c2c1C ZINC000003332729 568746507 /nfs/dbraw/zinc/74/65/07/568746507.db2.gz JCMSPTXXALLZIJ-JOCHJYFZSA-N 0 0 429.570 6.506 50 0 IKAARN Clc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 ZINC000003339734 568746510 /nfs/dbraw/zinc/74/65/10/568746510.db2.gz CKMRCJVJPWVNMB-NRFANRHFSA-N 0 0 435.936 5.726 50 0 IKAARN Cc1cccc(Oc2ccccc2NC(=O)CSC(c2ccccc2)c2ccccc2)c1 ZINC000003340531 568746534 /nfs/dbraw/zinc/74/65/34/568746534.db2.gz HRRQXGKNTFMPRK-UHFFFAOYSA-N 0 0 439.580 7.249 50 0 IKAARN Cc1ccc(N[C@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c2ccccc2)cc1 ZINC000003346350 568746709 /nfs/dbraw/zinc/74/67/09/568746709.db2.gz NMQQOXAORYZKNG-QHCPKHFHSA-N 0 0 447.991 6.488 50 0 IKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)NC1CCCCC1 ZINC000003349342 568746777 /nfs/dbraw/zinc/74/67/77/568746777.db2.gz RVLFPQXZIXSELD-UHFFFAOYSA-N 0 0 429.636 5.525 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NCc1cccs1 ZINC000003350464 568746838 /nfs/dbraw/zinc/74/68/38/568746838.db2.gz QSEXXQZXIHGTHL-UHFFFAOYSA-N 0 0 430.574 5.059 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[P@](=O)(Nc1ccccc1C)N(C)C(c1ccccc1)=N2 ZINC000012559710 568747165 /nfs/dbraw/zinc/74/71/65/568747165.db2.gz SSXKIVUNMDWCGZ-YTTGMZPUSA-N 0 0 441.475 5.443 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)c[nH]c1S[C@H](C)C(=O)NCc1ccccc1 ZINC000003358655 568747180 /nfs/dbraw/zinc/74/71/80/568747180.db2.gz YVBWIZVSKCXVBX-OAHLLOKOSA-N 0 0 442.968 5.309 50 0 IKAARN CCn1c(SCc2ccc(Br)cc2F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003355579 568747205 /nfs/dbraw/zinc/74/72/05/568747205.db2.gz YLEHVWFLVHDILP-UHFFFAOYSA-N 0 0 448.405 6.456 50 0 IKAARN CCN(CC)[P@](/C=C1/N(C)c2ccccc2C1(C)C)(=Nc1ccccc1)c1ccccc1 ZINC000012559342 568747213 /nfs/dbraw/zinc/74/72/13/568747213.db2.gz YYMRIGWQLKKTNY-YQFVEQLSSA-N 0 0 443.575 7.371 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003356033 568747215 /nfs/dbraw/zinc/74/72/15/568747215.db2.gz SSYMVOCJMKOWQB-KRWDZBQOSA-N 0 0 432.524 5.217 50 0 IKAARN CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(C)cc1 ZINC000044085570 568747325 /nfs/dbraw/zinc/74/73/25/568747325.db2.gz KIANNUDRXMATBW-UHFFFAOYSA-N 0 0 431.355 5.265 50 0 IKAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1C(C)(C)C ZINC000003364909 568747408 /nfs/dbraw/zinc/74/74/08/568747408.db2.gz FKAWIYKDVRKMKS-LJQANCHMSA-N 0 0 426.910 6.732 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000044086246 568747535 /nfs/dbraw/zinc/74/75/35/568747535.db2.gz WQHYURNQJHNRQT-UHFFFAOYSA-N 0 0 425.985 6.440 50 0 IKAARN Clc1cccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCc2ccccc2)c1 ZINC000044087413 568747580 /nfs/dbraw/zinc/74/75/80/568747580.db2.gz MPBJMCOBTDLREA-UHFFFAOYSA-N 0 0 445.802 7.792 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CCCSc3ccc(Cl)cc3)n2)cc1OC ZINC000003361699 568747622 /nfs/dbraw/zinc/74/76/22/568747622.db2.gz DXSBPXIJYWIWHI-UHFFFAOYSA-N 0 0 448.997 5.992 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087800 568747795 /nfs/dbraw/zinc/74/77/95/568747795.db2.gz JZSDVBPTWVFBQH-UHFFFAOYSA-N 0 0 433.499 5.483 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087752 568747811 /nfs/dbraw/zinc/74/78/11/568747811.db2.gz PLTGSYGKMJLAII-UHFFFAOYSA-N 0 0 449.498 5.183 50 0 IKAARN CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088077 568747821 /nfs/dbraw/zinc/74/78/21/568747821.db2.gz JAXYCPQGACOXJC-UHFFFAOYSA-N 0 0 429.261 5.922 50 0 IKAARN Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087804 568747823 /nfs/dbraw/zinc/74/78/23/568747823.db2.gz LMLBOPGRLVSSPU-UHFFFAOYSA-N 0 0 442.481 7.298 50 0 IKAARN Cc1nnc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)s1 ZINC000044086526 568747863 /nfs/dbraw/zinc/74/78/63/568747863.db2.gz ZSVPDNRKLPXNTC-UHFFFAOYSA-N 0 0 435.578 5.047 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccccc2C)cc1 ZINC000044086745 568747895 /nfs/dbraw/zinc/74/78/95/568747895.db2.gz MQOFXNUKEWACRI-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2C)cc1 ZINC000044086739 568747977 /nfs/dbraw/zinc/74/79/77/568747977.db2.gz ZQOHUNAVJAANRP-UHFFFAOYSA-N 0 0 429.545 5.587 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccccc1 ZINC000003396245 568748537 /nfs/dbraw/zinc/74/85/37/568748537.db2.gz MUOYFIKBFFXFBU-UHFFFAOYSA-N 0 0 429.954 5.750 50 0 IKAARN O=S(=O)(N[C@H](CNc1ccc2c(c1)CCC2)c1ccccc1)c1ccc(Cl)s1 ZINC000003412631 568748717 /nfs/dbraw/zinc/74/87/17/568748717.db2.gz WZMJAIPFZIJGMG-LJQANCHMSA-N 0 0 432.998 5.022 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1Cc1ccccc1 ZINC000003423554 568748824 /nfs/dbraw/zinc/74/88/24/568748824.db2.gz DFKIVZAEEJKHRK-UHFFFAOYSA-N 0 0 446.554 6.522 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000003427904 568748945 /nfs/dbraw/zinc/74/89/45/568748945.db2.gz YOEAXJKNRNEFLY-CYBMUJFWSA-N 0 0 448.038 5.554 50 0 IKAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc(F)c(Cl)c1 ZINC000044164237 568748946 /nfs/dbraw/zinc/74/89/46/568748946.db2.gz SCVJBCJIRRNERT-UHFFFAOYSA-N 0 0 439.299 5.414 50 0 IKAARN CCOc1ccc(-c2csc3c2ncn(Cc2cc(C)ccc2C)c3=O)cc1OCC ZINC000044167043 568749267 /nfs/dbraw/zinc/74/92/67/568749267.db2.gz IELBHFXMESLXEW-UHFFFAOYSA-N 0 0 434.561 5.588 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000003447477 568749556 /nfs/dbraw/zinc/74/95/56/568749556.db2.gz KJAIPDVYMWRCBI-UHFFFAOYSA-N 0 0 430.529 5.279 50 0 IKAARN O=c1c2ccc(Cl)cc2nc(SCc2cccc(C(F)(F)F)c2)n1C1CCCC1 ZINC000003449300 568749648 /nfs/dbraw/zinc/74/96/48/568749648.db2.gz FYUSBGVZNHWIEA-UHFFFAOYSA-N 0 0 438.902 6.476 50 0 IKAARN Cc1ccc(Cn2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 ZINC000003441487 568749693 /nfs/dbraw/zinc/74/96/93/568749693.db2.gz XZSYCLUEXJVLIE-UHFFFAOYSA-N 0 0 449.963 5.137 50 0 IKAARN COc1cc(NC(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc(OC)c1OC ZINC000044224866 568749972 /nfs/dbraw/zinc/74/99/72/568749972.db2.gz AYENZOZSRBLLJL-UHFFFAOYSA-N 0 0 433.489 5.614 50 0 IKAARN O=C(Nc1ccccc1Cl)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000044225015 568750029 /nfs/dbraw/zinc/75/00/29/568750029.db2.gz PWLRNANCPWEOSO-UHFFFAOYSA-N 0 0 433.817 6.255 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000003515759 568750345 /nfs/dbraw/zinc/75/03/45/568750345.db2.gz FPGHJQQIYQUFOK-UHFFFAOYSA-N 0 0 428.724 5.965 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1cn(CC)c3ccccc13)CCCC2 ZINC000003581913 568751077 /nfs/dbraw/zinc/75/10/77/568751077.db2.gz YOIPNZZVXORBEM-UHFFFAOYSA-N 0 0 442.606 5.509 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1cccc(C)c1Cl)(N(C)C)C(C)(C)C ZINC000012579219 568751096 /nfs/dbraw/zinc/75/10/96/568751096.db2.gz JYBQKLOMAYSFML-PMERELPUSA-N 0 0 442.975 6.884 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(C)c1 ZINC000003619721 568751458 /nfs/dbraw/zinc/75/14/58/568751458.db2.gz KGYBSUVZVPGLFR-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(I)cc2)C1=O ZINC000003622468 568751466 /nfs/dbraw/zinc/75/14/66/568751466.db2.gz GENVCRXISUNFSZ-VFPJAPOESA-N 0 0 443.394 5.692 50 0 IKAARN FC(F)(F)Oc1ccc(Nc2nc(Cl)c(C(F)(F)F)c(Cl)c2Cl)cc1 ZINC000003618925 568751550 /nfs/dbraw/zinc/75/15/50/568751550.db2.gz HWXHDYOTOWBDRE-UHFFFAOYSA-N 0 0 425.543 6.703 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2F)oc1N1CCCCCC1)c1ccc(Cl)cc1 ZINC000003642042 568752364 /nfs/dbraw/zinc/75/23/64/568752364.db2.gz CJNZFAXXCCFCGD-UHFFFAOYSA-N 0 0 434.920 5.347 50 0 IKAARN O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000003644815 568752651 /nfs/dbraw/zinc/75/26/51/568752651.db2.gz XTQDHVYLINVPRI-UHFFFAOYSA-N 0 0 445.371 5.156 50 0 IKAARN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000003659070 568752769 /nfs/dbraw/zinc/75/27/69/568752769.db2.gz PKFPJGIGHNEYQD-CIAFOILYSA-N 0 0 448.906 5.333 50 0 IKAARN O=C1NC(=Cc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000003652783 568752936 /nfs/dbraw/zinc/75/29/36/568752936.db2.gz XYFJFHAMNQSPHX-UNOMPAQXSA-N 0 0 441.339 6.242 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)cc2)cc1 ZINC000003655439 568752942 /nfs/dbraw/zinc/75/29/42/568752942.db2.gz MLCMNNPKUCHXNM-UHFFFAOYSA-N 0 0 443.499 6.104 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc1 ZINC000003655438 568753034 /nfs/dbraw/zinc/75/30/34/568753034.db2.gz QYRCPIUVTITVGQ-UHFFFAOYSA-N 0 0 427.500 6.403 50 0 IKAARN Cc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Br)cc2)c1 ZINC000003655354 568753046 /nfs/dbraw/zinc/75/30/46/568753046.db2.gz JODFLCNCQCCHAQ-UHFFFAOYSA-N 0 0 434.289 5.987 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000003655625 568753117 /nfs/dbraw/zinc/75/31/17/568753117.db2.gz WSZFYQQFMBCSIH-IBGZPJMESA-N 0 0 441.527 6.502 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)c1 ZINC000003655563 568753133 /nfs/dbraw/zinc/75/31/33/568753133.db2.gz OXZUBZHEDZZYIX-UHFFFAOYSA-N 0 0 427.500 6.403 50 0 IKAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c1 ZINC000003655497 568753191 /nfs/dbraw/zinc/75/31/91/568753191.db2.gz AAOYVHBEOXSFGX-QGZVFWFLSA-N 0 0 447.918 6.340 50 0 IKAARN O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)c1ccccc1 ZINC000003658672 568753330 /nfs/dbraw/zinc/75/33/30/568753330.db2.gz BXPJJZMIAAMPMI-UHFFFAOYSA-N 0 0 439.515 6.202 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2S[C@H](C)c1ccccc1 ZINC000003658719 568753337 /nfs/dbraw/zinc/75/33/37/568753337.db2.gz PWPSLSFRSVEKFT-LJQANCHMSA-N 0 0 437.568 6.949 50 0 IKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655635 568753349 /nfs/dbraw/zinc/75/33/49/568753349.db2.gz KCYMPBGAFGGJGC-UHFFFAOYSA-N 0 0 441.458 6.727 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccc(F)cc2)cc1 ZINC000003658742 568753597 /nfs/dbraw/zinc/75/35/97/568753597.db2.gz NJJJDEOCIGIJMH-UHFFFAOYSA-N 0 0 441.531 6.528 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(Cl)c2)cc1 ZINC000003665318 568753612 /nfs/dbraw/zinc/75/36/12/568753612.db2.gz ZUPQFFTYFBLXEB-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000003658779 568753633 /nfs/dbraw/zinc/75/36/33/568753633.db2.gz DHIYWUAYRPAEIV-UHFFFAOYSA-N 0 0 433.533 5.141 50 0 IKAARN OCCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000003668255 568753890 /nfs/dbraw/zinc/75/38/90/568753890.db2.gz DKKIXEVOEIKGFI-NFFVHWSESA-N 0 0 446.538 6.508 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1ccccc1O ZINC000003671010 568754096 /nfs/dbraw/zinc/75/40/96/568754096.db2.gz IVTOVMABBYGDCU-UHFFFAOYSA-N 0 0 449.428 7.123 50 0 IKAARN O=C(NCCCc1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1Cl ZINC000003765542 568754441 /nfs/dbraw/zinc/75/44/41/568754441.db2.gz KZYJDKMTWZBMPF-UHFFFAOYSA-N 0 0 437.370 6.359 50 0 IKAARN CCCCOc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000003765119 568754447 /nfs/dbraw/zinc/75/44/47/568754447.db2.gz SRRPVVFWUBZNCB-ZJPLNPDKSA-N 0 0 440.543 5.831 50 0 IKAARN O=C(c1cccc(F)c1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 ZINC000003766642 568754449 /nfs/dbraw/zinc/75/44/49/568754449.db2.gz CIIMRFHKWCSFPS-UHFFFAOYSA-N 0 0 441.293 6.505 50 0 IKAARN CCSc1nnc2c3c(nc(SCc4ccccc4)n12)-c1ccccc1CC3(C)C ZINC000003766988 568754460 /nfs/dbraw/zinc/75/44/60/568754460.db2.gz CVZOXHLWTAITMT-UHFFFAOYSA-N 0 0 432.618 6.029 50 0 IKAARN CN(C)c1cccc2c(-c3ccc(N(C)C)c4c3cccc4N(C)C)ccc(N(C)C)c21 ZINC000003764921 568754469 /nfs/dbraw/zinc/75/44/69/568754469.db2.gz MGEFNEUTVRVZPD-UHFFFAOYSA-N 0 0 426.608 5.924 50 0 IKAARN Cn1c2ccccc2nc1Sc1c(=O)n(C)c2ccc(Cl)cc2c1-c1ccccc1 ZINC000003770963 568754602 /nfs/dbraw/zinc/75/46/02/568754602.db2.gz MQPFWMNCLTVDKJ-UHFFFAOYSA-N 0 0 431.948 5.897 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000003865108 568754867 /nfs/dbraw/zinc/75/48/67/568754867.db2.gz SMNNPRYAEDCRGM-RJWJPKLOSA-N 0 0 447.531 5.964 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000003865100 568754888 /nfs/dbraw/zinc/75/48/88/568754888.db2.gz KVALJVQIKPOBBW-SRTYKXDFSA-N 0 0 447.531 5.964 50 0 IKAARN O=C1C[C@H](c2cccc(Oc3ncccn3)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263584831 568758535 /nfs/dbraw/zinc/75/85/35/568758535.db2.gz BIQHLEJILTYTTK-JOCHJYFZSA-N 0 0 446.510 5.746 50 0 biogenic IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004025729 568758671 /nfs/dbraw/zinc/75/86/71/568758671.db2.gz WAVPHEOFLPWMCI-JDCVRFKPSA-N 0 0 432.604 6.534 50 0 biogenic IKAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004025835 568758714 /nfs/dbraw/zinc/75/87/14/568758714.db2.gz NZDFRHCQINXFLI-SEWQFTPFSA-N 0 0 428.613 5.800 50 0 biogenic IKAARN CC(C)COc1ccc(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCCC2)cc1 ZINC000004031220 568759078 /nfs/dbraw/zinc/75/90/78/568759078.db2.gz REQHZTFHVGNBMX-UHFFFAOYSA-N 0 0 441.615 6.482 50 0 IKAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc1 ZINC000015354999 568759348 /nfs/dbraw/zinc/75/93/48/568759348.db2.gz AEJIZIHMDKKSJA-UHFFFAOYSA-N 0 0 445.515 5.352 50 0 IKAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1OC ZINC000263586310 568759509 /nfs/dbraw/zinc/75/95/09/568759509.db2.gz SMVKPZNJLNZDGY-SFHVURJKSA-N 0 0 442.515 5.190 50 0 biogenic IKAARN Cc1c(C(=O)N2CC[C@H](C)Sc3ccccc32)nnn1-c1cccc(C(F)(F)F)c1 ZINC000031895200 568759520 /nfs/dbraw/zinc/75/95/20/568759520.db2.gz KNCVYVAVQRBVHR-ZDUSSCGKSA-N 0 0 432.471 5.126 50 0 IKAARN CC(C)[C@@]1(CCN(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)CCOC(C)(C)C1 ZINC000004047289 568759931 /nfs/dbraw/zinc/75/99/31/568759931.db2.gz QCSPUPYGJQOHOW-VWLOTQADSA-N 0 0 427.541 5.272 50 0 biogenic IKAARN c1ccc(Cc2nc3cc(Oc4ccc5[nH]c(Cc6ccccc6)nc5c4)ccc3[nH]2)cc1 ZINC000004059920 568759936 /nfs/dbraw/zinc/75/99/36/568759936.db2.gz YWQHBIBQCWZZIM-UHFFFAOYSA-N 0 0 430.511 6.413 50 0 IKAARN O=C1C[C@H](c2cccnc2N2CCCCC2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587276 568760379 /nfs/dbraw/zinc/76/03/79/568760379.db2.gz FDIVCANOMISGKZ-JOCHJYFZSA-N 0 0 436.559 5.549 50 0 IKAARN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000004073273 568760475 /nfs/dbraw/zinc/76/04/75/568760475.db2.gz WAIQWYALYSCYLA-RHWATKQMSA-N 0 0 426.729 8.455 50 0 biogenic IKAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2c(ccn2CCC(C)C)c1 ZINC000263587473 568760582 /nfs/dbraw/zinc/76/05/82/568760582.db2.gz HIEBUYNRQJNQRR-UHFFFAOYSA-N 0 0 433.552 5.306 50 0 IKAARN CCn1c2ccccc2c2cc([P@](=Nc3ccccc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012639687 568760984 /nfs/dbraw/zinc/76/09/84/568760984.db2.gz STUOLAWXUNLGIB-YTTGMZPUSA-N 0 0 443.575 7.782 50 0 IKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000015379757 568761268 /nfs/dbraw/zinc/76/12/68/568761268.db2.gz PJMDUVRXYYINNF-VAWYXSNFSA-N 0 0 426.442 5.342 50 0 IKAARN CC(C)c1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015391065 568761453 /nfs/dbraw/zinc/76/14/53/568761453.db2.gz MDDPAALPJWWNAD-FQEVSTJZSA-N 0 0 434.989 5.035 50 0 IKAARN COc1cc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000001236020 568762279 /nfs/dbraw/zinc/76/22/79/568762279.db2.gz LRWSGTAEMDTYPP-RZTXVSJASA-N 0 0 443.971 5.467 50 0 IKAARN COc1ccc2c(c1)c(Cc1nc3ccccc3s1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012651057 568774052 /nfs/dbraw/zinc/77/40/52/568774052.db2.gz PDDVGNHPXMFZCH-UHFFFAOYSA-N 0 0 446.959 6.501 50 0 IKAARN COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(OC)c(OC)c2)cc1 ZINC000001238026 568774404 /nfs/dbraw/zinc/77/44/04/568774404.db2.gz NFKRYZPUXMNIRV-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 ZINC000001239331 568774472 /nfs/dbraw/zinc/77/44/72/568774472.db2.gz VRLSYFZWMYQEAB-UHFFFAOYSA-N 0 0 439.993 6.310 50 0 IKAARN CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 ZINC000001239761 568774513 /nfs/dbraw/zinc/77/45/13/568774513.db2.gz LTYDETQUHYVIFB-UHFFFAOYSA-N 0 0 431.561 6.222 50 0 IKAARN CCOC(=O)c1c2cc(OCC(=O)c3ccc(F)cc3)ccc2oc1-c1ccc(OC)cc1 ZINC000001240569 568774527 /nfs/dbraw/zinc/77/45/27/568774527.db2.gz GGQOESWPXDLEIA-UHFFFAOYSA-N 0 0 448.446 5.686 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(F)cc3)ccc2oc1-c1ccc(OC)cc1 ZINC000001244575 568774706 /nfs/dbraw/zinc/77/47/06/568774706.db2.gz UOHGVKLOTPCCHK-UHFFFAOYSA-N 0 0 434.419 5.643 50 0 IKAARN CCc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 ZINC000001247205 568774891 /nfs/dbraw/zinc/77/48/91/568774891.db2.gz RGMLEOQALMPMTC-UHFFFAOYSA-N 0 0 433.602 6.301 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000001251785 568775001 /nfs/dbraw/zinc/77/50/01/568775001.db2.gz YIEMXTVUEZVCND-IBGZPJMESA-N 0 0 439.309 5.351 50 0 IKAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000001254971 568775179 /nfs/dbraw/zinc/77/51/79/568775179.db2.gz IIQUPFUDMGJWFL-HXUWFJFHSA-N 0 0 428.319 5.638 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc2ccccc2o1 ZINC000001265058 568775349 /nfs/dbraw/zinc/77/53/49/568775349.db2.gz COFIPTLENOPRDQ-UHFFFAOYSA-N 0 0 433.455 5.179 50 0 IKAARN O=C1N(Cc2ccccc2)c2ccccc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000001265002 568775425 /nfs/dbraw/zinc/77/54/25/568775425.db2.gz DQEZCGWQXTUPQG-RBJSKKJNSA-N 0 0 447.494 5.223 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Br)o1 ZINC000001284922 568776458 /nfs/dbraw/zinc/77/64/58/568776458.db2.gz OEAXTSSMHCTMDU-UHFFFAOYSA-N 0 0 428.105 5.180 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(Br)o1 ZINC000001284950 568776489 /nfs/dbraw/zinc/77/64/89/568776489.db2.gz KEGQHYKCUXWDOS-UHFFFAOYSA-N 0 0 448.338 5.816 50 0 IKAARN Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)cc3CO2)cc1 ZINC000263616560 568776715 /nfs/dbraw/zinc/77/67/15/568776715.db2.gz JKWMLVCHBVTSGI-SFHVURJKSA-N 0 0 430.361 5.030 50 0 IKAARN Cc1sc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(F)cc3)nc(=O)c2c1-c1ccccc1 ZINC000001290441 568778419 /nfs/dbraw/zinc/77/84/19/568778419.db2.gz IDOIALWBDAEZNE-ZDUSSCGKSA-N 0 0 439.537 5.218 50 0 IKAARN CCCN1C(=O)c2ccccc2N(C(=O)Nc2ccccc2)[C@@H]1c1cccc(OC)c1OC ZINC000001293527 568778566 /nfs/dbraw/zinc/77/85/66/568778566.db2.gz CTEXEUHERDPVHI-XMMPIXPASA-N 0 0 445.519 5.307 50 0 biogenic IKAARN CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298726 568778585 /nfs/dbraw/zinc/77/85/85/568778585.db2.gz YOQZFWFHSBYJER-JOCHJYFZSA-N 0 0 440.996 5.638 50 0 IKAARN CCc1cc([C@H](c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298779 568778631 /nfs/dbraw/zinc/77/86/31/568778631.db2.gz WVNOLNHHUSNHJT-QFIPXVFZSA-N 0 0 440.996 5.638 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c1C ZINC000001298140 568778840 /nfs/dbraw/zinc/77/88/40/568778840.db2.gz ABYJHUBDCZKCBT-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN CCN(CC)C(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000001306173 568779264 /nfs/dbraw/zinc/77/92/64/568779264.db2.gz MDOFCRMXKLDEHI-UHFFFAOYSA-N 0 0 428.627 5.202 50 0 IKAARN OC(c1ccccc1)(c1ccccc1)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000004552045 568779678 /nfs/dbraw/zinc/77/96/78/568779678.db2.gz KZTBUDZYXNLPIK-UHFFFAOYSA-N 0 0 442.558 6.255 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000001320613 568779862 /nfs/dbraw/zinc/77/98/62/568779862.db2.gz HNEHHBXWWZVGQZ-XMMPIXPASA-N 0 0 440.326 5.309 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3cc4ccccc4o3)ccc2oc1-c1ccccc1 ZINC000001321332 568779975 /nfs/dbraw/zinc/77/99/75/568779975.db2.gz KTGKVRIGEOSZQS-UHFFFAOYSA-N 0 0 426.424 6.242 50 0 biogenic IKAARN COc1cccc(COc2ccc3c(c2)oc(C)c(-c2ccc(OC)c(OC)c2)c3=O)c1 ZINC000001321683 568779994 /nfs/dbraw/zinc/77/99/94/568779994.db2.gz ZRRQFSMXBMTEIK-UHFFFAOYSA-N 0 0 432.472 5.373 50 0 biogenic IKAARN O=C(Nc1cc(-c2ccc(Br)cc2)no1)C1=C(c2ccccc2)SCCO1 ZINC000032106120 568781235 /nfs/dbraw/zinc/78/12/35/568781235.db2.gz OKLHYZKURDUXHW-UHFFFAOYSA-N 0 0 443.322 5.175 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000032107181 568781239 /nfs/dbraw/zinc/78/12/39/568781239.db2.gz DNTWKGMDVBSGNC-AREMUKBSSA-N 0 0 446.572 5.154 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2cc(Cl)ccc2C)cc1 ZINC000004144779 568781914 /nfs/dbraw/zinc/78/19/14/568781914.db2.gz OQGUZDRLANSCCG-UHFFFAOYSA-N 0 0 439.924 5.473 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000004144769 568781933 /nfs/dbraw/zinc/78/19/33/568781933.db2.gz ORQLJLIGHXORKO-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN Fc1ccc(F)c(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000004144566 568781942 /nfs/dbraw/zinc/78/19/42/568781942.db2.gz DOMJHWONMQYOHC-UHFFFAOYSA-N 0 0 448.420 5.919 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)c(F)c1 ZINC000004144671 568781947 /nfs/dbraw/zinc/78/19/47/568781947.db2.gz LADVHTUWAVQWIZ-UHFFFAOYSA-N 0 0 431.870 6.297 50 0 IKAARN COc1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000004145351 568781958 /nfs/dbraw/zinc/78/19/58/568781958.db2.gz APMGBFHEXWONBL-UHFFFAOYSA-N 0 0 442.466 5.649 50 0 IKAARN COc1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000004145347 568781961 /nfs/dbraw/zinc/78/19/61/568781961.db2.gz IUZICVBWFGTAKN-UHFFFAOYSA-N 0 0 442.466 5.649 50 0 IKAARN CC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1OCCOCCOCCO2 ZINC000004524843 568783436 /nfs/dbraw/zinc/78/34/36/568783436.db2.gz YORJPJYXKOOJQA-UHFFFAOYSA-N 0 0 428.569 5.878 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045942173 568783605 /nfs/dbraw/zinc/78/36/05/568783605.db2.gz CRLXMCRSCCPLDJ-HSZRJFAPSA-N 0 0 435.976 6.423 50 0 IKAARN CC(C)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000045942501 568783607 /nfs/dbraw/zinc/78/36/07/568783607.db2.gz GEKCXHMAHSAWLF-HSZRJFAPSA-N 0 0 448.360 6.630 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 ZINC000045942481 568783622 /nfs/dbraw/zinc/78/36/22/568783622.db2.gz PORNNMRCAQUTBU-NRFANRHFSA-N 0 0 436.305 5.515 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000045942438 568783641 /nfs/dbraw/zinc/78/36/41/568783641.db2.gz DRSPGKLBFNEDRW-NRFANRHFSA-N 0 0 438.296 5.954 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942357 568783651 /nfs/dbraw/zinc/78/36/51/568783651.db2.gz BFQJRHDHJQXDBI-SANMLTNESA-N 0 0 441.527 5.900 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000001383238 568784161 /nfs/dbraw/zinc/78/41/61/568784161.db2.gz VBPUWSOQKBHDAT-INIZCTEOSA-N 0 0 426.756 5.078 50 0 IKAARN CC(C)(C)c1ccc(CON2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001383947 568784323 /nfs/dbraw/zinc/78/43/23/568784323.db2.gz BHUKKPQREMVXPO-CVQXOBEKSA-N 0 0 437.539 5.308 50 0 IKAARN COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2Sc2ccccc2Cl)cc1 ZINC000001385369 568784378 /nfs/dbraw/zinc/78/43/78/568784378.db2.gz NVYUREZYBMBFSN-UHFFFAOYSA-N 0 0 441.862 5.504 50 0 IKAARN Cc1cccc(NC(=O)COc2cc(C)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)c1 ZINC000046016484 568784983 /nfs/dbraw/zinc/78/49/83/568784983.db2.gz XOWLIYMWMIOZDC-UHFFFAOYSA-N 0 0 448.526 5.722 50 0 IKAARN Cc1ccc(S(=O)(=O)c2cc(C(F)(F)F)cnc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000001392184 568785128 /nfs/dbraw/zinc/78/51/28/568785128.db2.gz DKLARJVYTKFUMI-UHFFFAOYSA-N 0 0 439.842 5.126 50 0 IKAARN Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2ccc(Cl)cc2Cl)n1 ZINC000001392272 568785278 /nfs/dbraw/zinc/78/52/78/568785278.db2.gz RXTSBOZDAKSFBM-UHFFFAOYSA-N 0 0 443.739 5.511 50 0 IKAARN COC(=O)c1sccc1-c1ccc(COC(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000001393395 568785292 /nfs/dbraw/zinc/78/52/92/568785292.db2.gz SUYZKFSCYTUWFX-UHFFFAOYSA-N 0 0 425.384 5.562 50 0 IKAARN CC(=O)Nc1ccc(Sc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 ZINC000001392510 568785309 /nfs/dbraw/zinc/78/53/09/568785309.db2.gz CJJXMRWVVWIDHO-UHFFFAOYSA-N 0 0 447.438 5.342 50 0 IKAARN CCOC(=O)COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000001392318 568785311 /nfs/dbraw/zinc/78/53/11/568785311.db2.gz RZFPUHHILPYXTK-UHFFFAOYSA-N 0 0 436.213 5.206 50 0 IKAARN COc1ccc(-c2nnnn2-c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001392329 568785324 /nfs/dbraw/zinc/78/53/24/568785324.db2.gz HDVNGMKATKVEEX-UHFFFAOYSA-N 0 0 427.291 5.224 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000001393224 568785330 /nfs/dbraw/zinc/78/53/30/568785330.db2.gz DYORKKSUTIVLKN-UHFFFAOYSA-N 0 0 444.336 5.420 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000001393414 568785365 /nfs/dbraw/zinc/78/53/65/568785365.db2.gz BHBQGKPFHQDINV-UHFFFAOYSA-N 0 0 443.812 5.310 50 0 IKAARN CC(C)(C)c1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000001399060 568785653 /nfs/dbraw/zinc/78/56/53/568785653.db2.gz QBGYXGKEUOWRRU-UHFFFAOYSA-N 0 0 428.454 5.492 50 0 IKAARN O=S(=O)(NCc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001397509 568785671 /nfs/dbraw/zinc/78/56/71/568785671.db2.gz SYOZNUUSZUBVHI-UHFFFAOYSA-N 0 0 442.846 5.025 50 0 IKAARN CCOC(=O)c1c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2n2ccccc12 ZINC000001398647 568785765 /nfs/dbraw/zinc/78/57/65/568785765.db2.gz UNTVTPRKHBRMHS-UHFFFAOYSA-N 0 0 434.801 6.129 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(F)cc3)cc2)c(Cl)c1 ZINC000001396781 568786052 /nfs/dbraw/zinc/78/60/52/568786052.db2.gz HECHSIBIADATLP-UHFFFAOYSA-N 0 0 435.929 5.286 50 0 IKAARN O=C(CSc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1)c1ccc(Cl)cc1 ZINC000001396887 568786057 /nfs/dbraw/zinc/78/60/57/568786057.db2.gz FBTYCDGQJVAJDV-UHFFFAOYSA-N 0 0 444.265 5.839 50 0 IKAARN CN(C)C=C(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001400401 568786121 /nfs/dbraw/zinc/78/61/21/568786121.db2.gz QNFXSUOPZDPUFX-UHFFFAOYSA-N 0 0 447.149 5.323 50 0 IKAARN c1ccc(-c2nn(-c3ccccc3)c3c2[C@@H]2c4c(ccc5ccccc54)OC[C@@H]2CO3)cc1 ZINC000001401546 568786413 /nfs/dbraw/zinc/78/64/13/568786413.db2.gz NWSNXJLXBDTGHR-BWKNWUBXSA-N 0 0 430.507 6.225 50 0 IKAARN Cc1ccc(NS(=O)(=O)/C=C/c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001402024 568786609 /nfs/dbraw/zinc/78/66/09/568786609.db2.gz PIRWSSAFOAUIRW-CSKARUKUSA-N 0 0 441.862 5.266 50 0 IKAARN COc1ccc(COc2ccc(/C=C/S(=O)(=O)Nc3ccc(C)cc3)cc2OC)cc1 ZINC000001402019 568786679 /nfs/dbraw/zinc/78/66/79/568786679.db2.gz MXLIYSMWQVQVNG-CCEZHUSRSA-N 0 0 439.533 5.004 50 0 IKAARN COc1ccc(-n2ccc(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)n2)cc1 ZINC000083952410 568786688 /nfs/dbraw/zinc/78/66/88/568786688.db2.gz IMOARSUGPOGTNR-CQSZACIVSA-N 0 0 448.375 5.419 50 0 IKAARN O=C(CSc1ccc(Br)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001403822 568786707 /nfs/dbraw/zinc/78/67/07/568786707.db2.gz STZQNPQHRGPQBX-UHFFFAOYSA-N 0 0 447.423 5.557 50 0 IKAARN COc1ccc(-n2ccc(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)n2)cc1 ZINC000083952409 568786713 /nfs/dbraw/zinc/78/67/13/568786713.db2.gz IMOARSUGPOGTNR-AWEZNQCLSA-N 0 0 448.375 5.419 50 0 IKAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)c1 ZINC000083973737 568787527 /nfs/dbraw/zinc/78/75/27/568787527.db2.gz MOOGGLNLGMTSCW-FPOVZHCZSA-N 0 0 443.469 5.485 50 0 IKAARN Cc1ccccc1CN(C(=O)Cc1ccccc1)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000001410264 568787855 /nfs/dbraw/zinc/78/78/55/568787855.db2.gz IGAGZBNFPXLRQS-UHFFFAOYSA-N 0 0 443.591 5.050 50 0 IKAARN C[S@@](=O)C[C@@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc21)c1ccccc1 ZINC000083990095 568788677 /nfs/dbraw/zinc/78/86/77/568788677.db2.gz SYQUHSZXRHZGGI-WRHNGFHOSA-N 0 0 427.982 5.543 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(CNc3ccccc3)cc2)c2ccccc2)cc1 ZINC000002751331 568789059 /nfs/dbraw/zinc/78/90/59/568789059.db2.gz ZOWSSBAJDUSGBF-MUUNZHRXSA-N 0 0 435.523 6.388 50 0 IKAARN Cc1c(Br)c(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nn1C ZINC000002761971 568789192 /nfs/dbraw/zinc/78/91/92/568789192.db2.gz YGHOMOALKSHMKF-UHFFFAOYSA-N 0 0 436.762 5.548 50 0 IKAARN CCCCOc1ccc([C@@H](CC(=O)c2ccc(OC)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000003100907 568790077 /nfs/dbraw/zinc/79/00/77/568790077.db2.gz FLGCDOAHROWSES-RUZDIDTESA-N 0 0 437.967 6.954 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001414901 568790643 /nfs/dbraw/zinc/79/06/43/568790643.db2.gz KAWGHKFFXVELQQ-UHFFFAOYSA-N 0 0 432.838 6.800 50 0 IKAARN Cc1c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)[nH]c2c1C(=O)CCC2 ZINC000084066590 568790771 /nfs/dbraw/zinc/79/07/71/568790771.db2.gz HFOUJTYLVXXBGT-UHFFFAOYSA-N 0 0 442.346 5.387 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025900081 568790794 /nfs/dbraw/zinc/79/07/94/568790794.db2.gz BFXYSUVVUGHRGQ-BVAGGSTKSA-N 0 0 428.557 5.186 50 0 IKAARN CC(=O)c1c(C)cc(C)c(C[S@@](=O)Cc2csc(-c3ccccc3Cl)n2)c1C ZINC000084076889 568791607 /nfs/dbraw/zinc/79/16/07/568791607.db2.gz OULSGILVPKUYNR-MUUNZHRXSA-N 0 0 432.010 6.040 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)SCCCC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000015491960 568792122 /nfs/dbraw/zinc/79/21/22/568792122.db2.gz CXPJODPSBJFLNN-INIZCTEOSA-N 0 0 434.989 5.445 50 0 IKAARN CCOc1ccc(CCNC(=S)N[C@@H](CC)c2ccc(C(C)C)cc2)cc1OCC ZINC000006554942 568792140 /nfs/dbraw/zinc/79/21/40/568792140.db2.gz BQOWKUBQCLNEBP-QFIPXVFZSA-N 0 0 428.642 5.765 50 0 IKAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCn1c(C)nc(=O)c(-c2ccccc2)c1C ZINC000001421879 568793207 /nfs/dbraw/zinc/79/32/07/568793207.db2.gz FCQYTPZKBNCGTE-UHFFFAOYSA-N 0 0 441.453 5.458 50 0 IKAARN Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000001425508 568793747 /nfs/dbraw/zinc/79/37/47/568793747.db2.gz KJDNGNLEHHOMAA-UHFFFAOYSA-N 0 0 428.336 5.862 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1cccc(C(F)(F)F)c1 ZINC000001424694 568793776 /nfs/dbraw/zinc/79/37/76/568793776.db2.gz GWGSPMHEJJYNKD-LJQANCHMSA-N 0 0 449.476 5.818 50 0 IKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccccc1Br ZINC000012752806 568795625 /nfs/dbraw/zinc/79/56/25/568795625.db2.gz UDKQHYOBRQRNHD-GFCCVEGCSA-N 0 0 444.354 5.200 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(Cl)c2)cc1 ZINC000001434530 568795756 /nfs/dbraw/zinc/79/57/56/568795756.db2.gz QAKOFCDOXFUDPD-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(Cl)s1 ZINC000084224950 568796273 /nfs/dbraw/zinc/79/62/73/568796273.db2.gz YQXUADNSEKHWPS-UHFFFAOYSA-N 0 0 427.932 6.699 50 0 IKAARN Cc1ccccc1-c1noc(C[S@](=O)Cc2csc(-c3ccccc3Cl)n2)n1 ZINC000084247710 568796425 /nfs/dbraw/zinc/79/64/25/568796425.db2.gz DGNAJLUIQCQOCI-NDEPHWFRSA-N 0 0 429.954 5.271 50 0 IKAARN Cc1ccccc1CN(Cc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000084243866 568796458 /nfs/dbraw/zinc/79/64/58/568796458.db2.gz VFNBOFFAYPPPOA-UHFFFAOYSA-N 0 0 441.604 5.779 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000004212803 568796955 /nfs/dbraw/zinc/79/69/55/568796955.db2.gz RZSITBFHGDBZCL-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 ZINC000084363752 568797259 /nfs/dbraw/zinc/79/72/59/568797259.db2.gz RHXIOUPFWSUEBZ-GXTWGEPZSA-N 0 0 443.263 5.487 50 0 IKAARN O=C(c1csc(-c2ncccn2)n1)N(c1cccc(Br)c1)C1CCCCC1 ZINC000084363643 568797307 /nfs/dbraw/zinc/79/73/07/568797307.db2.gz FKFBDFNDXSKERD-UHFFFAOYSA-N 0 0 443.370 5.342 50 0 IKAARN O=C(Nc1cccc(N2CCCCC2)c1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000084374319 568797520 /nfs/dbraw/zinc/79/75/20/568797520.db2.gz IBLXTZOSRUCUJP-UHFFFAOYSA-N 0 0 432.749 5.826 50 0 IKAARN O=C1CSC2=NC3=C(CCC/C3=C/c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000084383730 568797680 /nfs/dbraw/zinc/79/76/80/568797680.db2.gz ANVCILZLLNXAGY-MCZSENPKSA-N 0 0 441.383 6.501 50 0 IKAARN O=C(Nc1nnc(C(F)F)s1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000084419153 568797738 /nfs/dbraw/zinc/79/77/38/568797738.db2.gz GOJNGBCMNXLWAI-UHFFFAOYSA-N 0 0 444.232 5.422 50 0 IKAARN O=C1CSC2=NC3=C(CCC/C3=C/c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N12 ZINC000084383731 568797824 /nfs/dbraw/zinc/79/78/24/568797824.db2.gz ANVCILZLLNXAGY-FPIZWNAKSA-N 0 0 441.383 6.501 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)cn1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000084452362 568798241 /nfs/dbraw/zinc/79/82/41/568798241.db2.gz YUDOZUOXEHNJGG-UHFFFAOYSA-N 0 0 425.863 5.821 50 0 IKAARN Brc1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1 ZINC000084598165 568799228 /nfs/dbraw/zinc/79/92/28/568799228.db2.gz NPFGBOHOVBKXKM-UHFFFAOYSA-N 0 0 436.309 5.144 50 0 IKAARN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000084622489 568799290 /nfs/dbraw/zinc/79/92/90/568799290.db2.gz YJZCDLFRKGAUTL-UHFFFAOYSA-N 0 0 444.560 5.240 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccco3)cc1)oc1ccccc12 ZINC000015600596 568799433 /nfs/dbraw/zinc/79/94/33/568799433.db2.gz ODJQUYQWHFNOOV-UHFFFAOYSA-N 0 0 426.428 5.692 50 0 IKAARN C[C@@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)c1c(F)cccc1F ZINC000084647353 568799595 /nfs/dbraw/zinc/79/95/95/568799595.db2.gz GWTMAORNGZWVCK-SECBINFHSA-N 0 0 431.295 5.009 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000084691738 568799969 /nfs/dbraw/zinc/79/99/69/568799969.db2.gz VLTGEFMKVGXGSH-TXEJJXNPSA-N 0 0 440.758 5.697 50 0 IKAARN Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1C ZINC000001436715 568800497 /nfs/dbraw/zinc/80/04/97/568800497.db2.gz RJBBHEWRCSTEBU-RUZDIDTESA-N 0 0 441.531 5.261 50 0 IKAARN Cc1cccc2sc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c(Cl)c21 ZINC000012780394 568800660 /nfs/dbraw/zinc/80/06/60/568800660.db2.gz AWUYMCIMPLCBFW-UHFFFAOYSA-N 0 0 436.967 5.129 50 0 IKAARN CCC[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000084740448 568800801 /nfs/dbraw/zinc/80/08/01/568800801.db2.gz OABLOLDPOPYWNI-OAHLLOKOSA-N 0 0 448.363 5.042 50 0 IKAARN CCC[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000084740447 568800911 /nfs/dbraw/zinc/80/09/11/568800911.db2.gz OABLOLDPOPYWNI-HNNXBMFYSA-N 0 0 448.363 5.042 50 0 IKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000032425815 568801684 /nfs/dbraw/zinc/80/16/84/568801684.db2.gz XLALKWGZNQMFIU-MRXNPFEDSA-N 0 0 427.595 5.133 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nc(C)n2)cc1 ZINC000015671220 568802284 /nfs/dbraw/zinc/80/22/84/568802284.db2.gz NAECZVMJLHAEEH-UHFFFAOYSA-N 0 0 437.547 6.450 50 0 IKAARN CCN1c2cc(NC(=O)Nc3cc(OC)cc(OC)c3)ccc2Sc2ccccc2C1=O ZINC000015671877 568802807 /nfs/dbraw/zinc/80/28/07/568802807.db2.gz ABQNYQRQADKZGL-UHFFFAOYSA-N 0 0 449.532 5.479 50 0 IKAARN CCN1c2cc(NC(=O)NCc3ccc(Cl)cc3)ccc2Sc2ccccc2C1=O ZINC000015671870 568803056 /nfs/dbraw/zinc/80/30/56/568803056.db2.gz MLNVNKHPBXGUKK-UHFFFAOYSA-N 0 0 437.952 5.793 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000015672631 568803123 /nfs/dbraw/zinc/80/31/23/568803123.db2.gz CTNCNQBZFNHOCS-ZZTRNUCDSA-N 0 0 449.620 5.379 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000015672680 568803180 /nfs/dbraw/zinc/80/31/80/568803180.db2.gz NPKPHNUKIBBUBN-ZTEVPRNISA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000015672670 568803219 /nfs/dbraw/zinc/80/32/19/568803219.db2.gz JENPQQMMAJIZKH-BNJIMDBKSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000015672958 568803415 /nfs/dbraw/zinc/80/34/15/568803415.db2.gz OJYKVBFTSNZBJD-AREMUKBSSA-N 0 0 449.620 5.578 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015675453 568803688 /nfs/dbraw/zinc/80/36/88/568803688.db2.gz NNBGBICIWPEMLA-HHHXNRCGSA-N 0 0 447.579 5.445 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015675452 568803790 /nfs/dbraw/zinc/80/37/90/568803790.db2.gz NNBGBICIWPEMLA-MHZLTWQESA-N 0 0 447.579 5.445 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1c1cccc(F)c1 ZINC000015675455 568803793 /nfs/dbraw/zinc/80/37/93/568803793.db2.gz CXGJHLIRNWGLPF-RUZDIDTESA-N 0 0 437.515 5.022 50 0 IKAARN Cc1c(C(=O)N(Cc2cccs2)C2CCCCC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000015675309 568803815 /nfs/dbraw/zinc/80/38/15/568803815.db2.gz FAPREKQPPOGOOX-UHFFFAOYSA-N 0 0 441.622 5.139 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4oc(C)cc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015675887 568803931 /nfs/dbraw/zinc/80/39/31/568803931.db2.gz DOWROBYJDVJBHZ-MHZLTWQESA-N 0 0 447.579 5.363 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCC1 ZINC000015675631 568804236 /nfs/dbraw/zinc/80/42/36/568804236.db2.gz QZYIHIUOIVSWPV-RUZDIDTESA-N 0 0 425.573 5.011 50 0 IKAARN CCCN1C(=O)c2cc3occc3n2C[C@]1(C(=O)NC1CCCCCCC1)c1ccccc1 ZINC000015677127 568804303 /nfs/dbraw/zinc/80/43/03/568804303.db2.gz REPRNFAFRHGAAF-HHHXNRCGSA-N 0 0 447.579 5.225 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000015676975 568804356 /nfs/dbraw/zinc/80/43/56/568804356.db2.gz CGDVJYMVFPLWBL-SANMLTNESA-N 0 0 449.982 5.553 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676982 568804417 /nfs/dbraw/zinc/80/44/17/568804417.db2.gz UMGODCOSVHAGKJ-MUUNZHRXSA-N 0 0 443.591 5.462 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000015678382 568804735 /nfs/dbraw/zinc/80/47/35/568804735.db2.gz LVDYLGLHVXAQIM-UHFFFAOYSA-N 0 0 444.550 5.865 50 0 IKAARN CCc1ccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 ZINC000015679446 568805197 /nfs/dbraw/zinc/80/51/97/568805197.db2.gz IJZXBEUGJRVQCC-UHFFFAOYSA-N 0 0 449.555 5.014 50 0 IKAARN CCOc1ccc(CNC(=O)CCc2cn(Cc3cc(C)ccc3C)c3ccccc23)cc1 ZINC000015678456 568805235 /nfs/dbraw/zinc/80/52/35/568805235.db2.gz QDOBZGDZQMSSAV-UHFFFAOYSA-N 0 0 440.587 5.954 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000015679605 568805642 /nfs/dbraw/zinc/80/56/42/568805642.db2.gz DPXDXNPQJOGLAO-HHHXNRCGSA-N 0 0 435.612 5.255 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682123 568806854 /nfs/dbraw/zinc/80/68/54/568806854.db2.gz OQTOPOAPLAEKAJ-UHFFFAOYSA-N 0 0 426.516 5.510 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCCc3ccccc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682110 568806925 /nfs/dbraw/zinc/80/69/25/568806925.db2.gz FYTCNAQWUXOCML-UHFFFAOYSA-N 0 0 440.543 5.900 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nc1COc1ccc(C)cc1 ZINC000015682147 568807014 /nfs/dbraw/zinc/80/70/14/568807014.db2.gz UEGDYQGBQGYBED-UHFFFAOYSA-N 0 0 430.479 5.607 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccccc3C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682169 568807028 /nfs/dbraw/zinc/80/70/28/568807028.db2.gz DTJLNZXLUNZXRY-UHFFFAOYSA-N 0 0 428.557 6.811 50 0 IKAARN CCCSCCCNC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000015682260 568807048 /nfs/dbraw/zinc/80/70/48/568807048.db2.gz HOXICLCAACDXOV-UHFFFAOYSA-N 0 0 440.634 6.205 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nc1CSc1ccccc1 ZINC000015682253 568807065 /nfs/dbraw/zinc/80/70/65/568807065.db2.gz VUQAEBSLKHCCJM-UHFFFAOYSA-N 0 0 432.520 6.011 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1CSc1ccccc1 ZINC000015682216 568807074 /nfs/dbraw/zinc/80/70/74/568807074.db2.gz SCYFBIOYCFGREZ-UHFFFAOYSA-N 0 0 428.557 6.811 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682168 568807079 /nfs/dbraw/zinc/80/70/79/568807079.db2.gz AOIOXEJTOBTMHL-UHFFFAOYSA-N 0 0 442.584 6.489 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682189 568807147 /nfs/dbraw/zinc/80/71/47/568807147.db2.gz YRZCUHXOXHWATG-UHFFFAOYSA-N 0 0 428.557 6.811 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CN1c2cccc3cccc(c23)C1=O ZINC000032533332 568812717 /nfs/dbraw/zinc/81/27/17/568812717.db2.gz HDKDATKCGUIFJV-UHFFFAOYSA-N 0 0 444.966 5.405 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3c2C)cc1 ZINC000015729400 568813413 /nfs/dbraw/zinc/81/34/13/568813413.db2.gz FSKBFEJKSZJOFG-UHFFFAOYSA-N 0 0 441.527 6.531 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3o2)cc1 ZINC000015729327 568813432 /nfs/dbraw/zinc/81/34/32/568813432.db2.gz JZDHXVOVPDNMRQ-UHFFFAOYSA-N 0 0 431.919 6.663 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cc(OC)ccc4OC)oc3c2)cc1 ZINC000015729401 568813447 /nfs/dbraw/zinc/81/34/47/568813447.db2.gz QVGRDPWTPIOVSZ-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)c(OC)c4)oc3c2)c1 ZINC000015729406 568813469 /nfs/dbraw/zinc/81/34/69/568813469.db2.gz JXIOGMSGTVVZCR-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)c1 ZINC000015729394 568813495 /nfs/dbraw/zinc/81/34/95/568813495.db2.gz XIFFYXGRPKZNFN-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN Cc1c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729502 568813524 /nfs/dbraw/zinc/81/35/24/568813524.db2.gz FUPZADCNBIOSLD-UHFFFAOYSA-N 0 0 425.528 6.830 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2)c1 ZINC000015729507 568813525 /nfs/dbraw/zinc/81/35/25/568813525.db2.gz QTKVKDFVZJLJCI-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000015730208 568813843 /nfs/dbraw/zinc/81/38/43/568813843.db2.gz MANUENIRQAJTHK-UHFFFAOYSA-N 0 0 445.475 5.253 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000015732140 568814980 /nfs/dbraw/zinc/81/49/80/568814980.db2.gz QTWQNJJCVSFBBU-LJAQVGFWSA-N 0 0 449.598 7.355 50 0 IKAARN CCCCC(=O)Nc1ccccc1SCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000015732004 568815311 /nfs/dbraw/zinc/81/53/11/568815311.db2.gz NKZWJXNZHPRDSK-UHFFFAOYSA-N 0 0 427.595 5.056 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733395 568815685 /nfs/dbraw/zinc/81/56/85/568815685.db2.gz VVNOJAXKVQSVOD-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733534 568815804 /nfs/dbraw/zinc/81/58/04/568815804.db2.gz XNBWOENAUHVYQN-MRXNPFEDSA-N 0 0 433.895 5.771 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)c(C)c1 ZINC000015733530 568815807 /nfs/dbraw/zinc/81/58/07/568815807.db2.gz BLELFXXVGWLGSN-LJQANCHMSA-N 0 0 427.504 5.735 50 0 IKAARN Cc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733460 568815908 /nfs/dbraw/zinc/81/59/08/568815908.db2.gz AOKQQGMFQUDEKG-UHFFFAOYSA-N 0 0 443.890 6.599 50 0 IKAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)N(C1CCCCC1)C1CCCCC1 ZINC000006049277 568816516 /nfs/dbraw/zinc/81/65/16/568816516.db2.gz OXAAUGRYLALXIV-UHFFFAOYSA-N 0 0 429.576 5.675 50 0 IKAARN Cc1noc(NCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000085391839 568816655 /nfs/dbraw/zinc/81/66/55/568816655.db2.gz VELZLKBTVQTBRW-UHFFFAOYSA-N 0 0 443.459 5.368 50 0 IKAARN Cc1noc(NCc2ccc(Cl)c(Cl)c2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000085391931 568816697 /nfs/dbraw/zinc/81/66/97/568816697.db2.gz LCUQTWMMDXZCOH-UHFFFAOYSA-N 0 0 444.240 6.173 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)N2C[C@H](c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1 ZINC000085388839 568816701 /nfs/dbraw/zinc/81/67/01/568816701.db2.gz HOMMNISWVQZSRX-HOYKHHGWSA-N 0 0 431.967 6.889 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cc(F)cc(F)c1)CCCC3 ZINC000015735447 568816733 /nfs/dbraw/zinc/81/67/33/568816733.db2.gz LFFVOLIDRUIYDI-JOCHJYFZSA-N 0 0 441.547 5.719 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)c(C)c1 ZINC000015735625 568816799 /nfs/dbraw/zinc/81/67/99/568816799.db2.gz JFSPHFDBGALSJH-DEOSSOPVSA-N 0 0 433.621 6.779 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(Cl)c1)CCCC3 ZINC000015735590 568817023 /nfs/dbraw/zinc/81/70/23/568817023.db2.gz IHAAEVOYXLCMCX-QFIPXVFZSA-N 0 0 440.012 6.816 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)c1 ZINC000015735609 568817085 /nfs/dbraw/zinc/81/70/85/568817085.db2.gz PSDWSXXJLLXOPN-DEOSSOPVSA-N 0 0 433.621 6.779 50 0 IKAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1 ZINC000001448094 568817504 /nfs/dbraw/zinc/81/75/04/568817504.db2.gz ZLAPWQVWGXEWRZ-UHFFFAOYSA-N 0 0 448.402 5.039 50 0 IKAARN CCC[C@H](C(=O)NC1CC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405319 568817670 /nfs/dbraw/zinc/81/76/70/568817670.db2.gz WYDCRJBFSWRXCZ-LJQANCHMSA-N 0 0 434.342 5.693 50 0 IKAARN O=C(CCn1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21)NCc1ccco1 ZINC000085405869 568817691 /nfs/dbraw/zinc/81/76/91/568817691.db2.gz CLHIGWMUOLXIOW-UHFFFAOYSA-N 0 0 428.319 5.233 50 0 IKAARN COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1)OC ZINC000001447678 568817692 /nfs/dbraw/zinc/81/76/92/568817692.db2.gz PPQFCISJZPTJCF-UHFFFAOYSA-N 0 0 442.441 5.137 50 0 IKAARN CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 ZINC000001447589 568817695 /nfs/dbraw/zinc/81/76/95/568817695.db2.gz ABBDVSDGBJEORX-UHFFFAOYSA-N 0 0 433.515 6.098 50 0 IKAARN COc1cccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)NC(C)C)c1 ZINC000085409403 568817815 /nfs/dbraw/zinc/81/78/15/568817815.db2.gz JGOFADFPOMADBR-UHFFFAOYSA-N 0 0 427.548 5.443 50 0 IKAARN CC[C@@H](C)NC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3cc(C)ccc3C)cn21 ZINC000085410324 568817866 /nfs/dbraw/zinc/81/78/66/568817866.db2.gz VDSIMKDADCGTJH-OAQYLSRUSA-N 0 0 425.576 6.132 50 0 IKAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1OC(C)C ZINC000085411783 568817978 /nfs/dbraw/zinc/81/79/78/568817978.db2.gz QNMCPILMAIXJHZ-OAQYLSRUSA-N 0 0 429.586 5.754 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2C)c1 ZINC000085412062 568818016 /nfs/dbraw/zinc/81/80/16/568818016.db2.gz NSIOTMIQXHGTFB-UHFFFAOYSA-N 0 0 429.545 5.245 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2ccccc2Cl)S1 ZINC000085411778 568818066 /nfs/dbraw/zinc/81/80/66/568818066.db2.gz GJTHFZUCXBAZTR-HXUWFJFHSA-N 0 0 427.957 5.876 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000085411758 568818110 /nfs/dbraw/zinc/81/81/10/568818110.db2.gz YCMTYKUDCAJKOE-HXUWFJFHSA-N 0 0 427.957 5.876 50 0 IKAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccccc1F ZINC000085412300 568818407 /nfs/dbraw/zinc/81/84/07/568818407.db2.gz QQDWTAXNHYFUJY-OAQYLSRUSA-N 0 0 441.528 5.370 50 0 IKAARN O=C1O[C@@H]2C=CC=C[C@@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 ZINC000001452984 568818801 /nfs/dbraw/zinc/81/88/01/568818801.db2.gz VPISIZKQRYTQNU-AUUYWEPGSA-N 0 0 428.435 5.056 50 0 IKAARN O=C1O[C@H]2C=CC=C[C@@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 ZINC000001452985 568818825 /nfs/dbraw/zinc/81/88/25/568818825.db2.gz VPISIZKQRYTQNU-KUHUBIRLSA-N 0 0 428.435 5.056 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000085414335 568819018 /nfs/dbraw/zinc/81/90/18/568819018.db2.gz ZOIPYCRKUWCZAR-UHFFFAOYSA-N 0 0 428.919 6.235 50 0 IKAARN COc1ccc(C(=O)Nc2ncc(Cc3ccc(SC(F)F)cc3)s2)cc1OC ZINC000001453221 568819045 /nfs/dbraw/zinc/81/90/45/568819045.db2.gz AFOZJQSAKACQAJ-UHFFFAOYSA-N 0 0 436.505 5.318 50 0 IKAARN Cc1ccc(Cc2cnc(NC(=O)CSc3nc4ccccc4s3)s2)cc1Cl ZINC000001454042 568819208 /nfs/dbraw/zinc/81/92/08/568819208.db2.gz PDXXOEWOMFAFII-UHFFFAOYSA-N 0 0 446.022 6.036 50 0 IKAARN COc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccs2)cc1 ZINC000001454326 568819246 /nfs/dbraw/zinc/81/92/46/568819246.db2.gz KNNUWUGIIOQYBK-UHFFFAOYSA-N 0 0 436.587 5.906 50 0 IKAARN CCOC(=O)c1c2cc(OCC(=O)OC(C)(C)C)ccc2oc1-c1ccc(OC)cc1 ZINC000001463681 568820015 /nfs/dbraw/zinc/82/00/15/568820015.db2.gz DVLDNZGOMRPCQG-UHFFFAOYSA-N 0 0 426.465 5.006 50 0 biogenic IKAARN CCOC(=O)[C@H](Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)c1ccccc1 ZINC000001464038 568820063 /nfs/dbraw/zinc/82/00/63/568820063.db2.gz ATVJIBXSJDXVAH-RUZDIDTESA-N 0 0 430.456 5.152 50 0 biogenic IKAARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1CCc1ccccc1 ZINC000001465360 568820163 /nfs/dbraw/zinc/82/01/63/568820163.db2.gz ZINSCQCLCNEOKM-UHFFFAOYSA-N 0 0 435.618 5.944 50 0 IKAARN C[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2Cl)CC1)c1ccccc1Cl ZINC000015766261 568821134 /nfs/dbraw/zinc/82/11/34/568821134.db2.gz UMBUAVTUMBZSKT-VYMRPNJYSA-N 0 0 447.406 5.854 50 0 IKAARN Cc1cc(N(C(=O)c2cc3c(s2)CCCC3)C(=O)c2cc3c(s2)CCCC3)no1 ZINC000001471327 568821767 /nfs/dbraw/zinc/82/17/67/568821767.db2.gz FYXCADAJWOTPHB-UHFFFAOYSA-N 0 0 426.563 5.351 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)C2)cc1 ZINC000015770916 568822323 /nfs/dbraw/zinc/82/23/23/568822323.db2.gz JIHIBZLPAYYRGH-UHFFFAOYSA-N 0 0 425.532 5.615 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)C2)cc1 ZINC000015770918 568822345 /nfs/dbraw/zinc/82/23/45/568822345.db2.gz WWJWKUAADJPYDI-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)C2)cc1 ZINC000015770920 568822366 /nfs/dbraw/zinc/82/23/66/568822366.db2.gz QHDUNJJFBWCDGA-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000015774876 568823252 /nfs/dbraw/zinc/82/32/52/568823252.db2.gz SBIZCCSYMOIOSR-UHFFFAOYSA-N 0 0 444.457 5.019 50 0 IKAARN Cc1c(C[NH2+]CCCN(C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777064 568823793 /nfs/dbraw/zinc/82/37/93/568823793.db2.gz SMGFJMJDPDNUOU-UHFFFAOYSA-N 0 0 439.987 5.121 50 0 IKAARN Cc1cccc(C(=O)N[C@H](Oc2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000001480448 568824291 /nfs/dbraw/zinc/82/42/91/568824291.db2.gz OQWGWNQIUZTRCK-OAHLLOKOSA-N 0 0 437.548 5.263 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1c(C)cccc1C ZINC000015783557 568826996 /nfs/dbraw/zinc/82/69/96/568826996.db2.gz NVZYMHOVEGQMBP-WOJBJXKFSA-N 0 0 448.592 5.068 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1cc(C)ccc1C ZINC000015783549 568827084 /nfs/dbraw/zinc/82/70/84/568827084.db2.gz PGUCBDDJASATCJ-NHCUHLMSSA-N 0 0 448.592 5.068 50 0 IKAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC ZINC000012821268 568828319 /nfs/dbraw/zinc/82/83/19/568828319.db2.gz KJXIIWWBEBUFEH-UHFFFAOYSA-N 0 0 446.313 5.814 50 0 IKAARN O=C(CSC(=O)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000035190753 568828663 /nfs/dbraw/zinc/82/86/63/568828663.db2.gz QUAPMLPNDMXOCV-UHFFFAOYSA-N 0 0 438.548 6.095 50 0 IKAARN CSc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccccc3)n2)cc1 ZINC000085644559 568829476 /nfs/dbraw/zinc/82/94/76/568829476.db2.gz LKKWKWGUGGWXDI-UHFFFAOYSA-N 0 0 443.575 5.012 50 0 IKAARN Cc1cccc(-c2nccc(N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)n2)c1 ZINC000085649145 568830715 /nfs/dbraw/zinc/83/07/15/568830715.db2.gz VTVWLEYCUOJUBQ-UHFFFAOYSA-N 0 0 428.580 5.108 50 0 IKAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000085650189 568830739 /nfs/dbraw/zinc/83/07/39/568830739.db2.gz RQHGTTNGOUFDAJ-UHFFFAOYSA-N 0 0 448.504 5.390 50 0 IKAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000085650190 568830743 /nfs/dbraw/zinc/83/07/43/568830743.db2.gz VJDSJHWCHMZFMC-UHFFFAOYSA-N 0 0 434.477 5.082 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc(OC)c1 ZINC000085649483 568830800 /nfs/dbraw/zinc/83/08/00/568830800.db2.gz HGUJOOANGOINNE-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649543 568831050 /nfs/dbraw/zinc/83/10/50/568831050.db2.gz MNIOFJQGBMRKNR-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c(OC)c1 ZINC000085649504 568831053 /nfs/dbraw/zinc/83/10/53/568831053.db2.gz JWNFVBWVFPIUGK-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000085649761 568831059 /nfs/dbraw/zinc/83/10/59/568831059.db2.gz JNYWAZFJTDWQDO-KRWDZBQOSA-N 0 0 442.494 5.526 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1Cl ZINC000085649769 568831064 /nfs/dbraw/zinc/83/10/64/568831064.db2.gz MBODODCIFINFTN-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000085649490 568831123 /nfs/dbraw/zinc/83/11/23/568831123.db2.gz RZDXHKJGCWYXRM-KRWDZBQOSA-N 0 0 442.494 5.526 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649885 568831249 /nfs/dbraw/zinc/83/12/49/568831249.db2.gz DLQPYRUGCKWNIH-UHFFFAOYSA-N 0 0 430.895 5.802 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649798 568831269 /nfs/dbraw/zinc/83/12/69/568831269.db2.gz JLEZROFAPWTTRZ-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN CC(=O)N1N=C(c2c(F)cccc2Cl)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000015785733 568832441 /nfs/dbraw/zinc/83/24/41/568832441.db2.gz NKWPZTOKYGWFMS-RUZDIDTESA-N 0 0 445.881 5.933 50 0 IKAARN CC(C)C(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccccc4)ccc3[nH]2)cc1 ZINC000085653847 568832584 /nfs/dbraw/zinc/83/25/84/568832584.db2.gz IXIHARBFDMHBDR-UHFFFAOYSA-N 0 0 426.520 5.195 50 0 IKAARN Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccccc4)cc2)C3=O)c1 ZINC000001506045 568834187 /nfs/dbraw/zinc/83/41/87/568834187.db2.gz MPHMLJVOSZYZLD-UHFFFAOYSA-N 0 0 449.466 5.114 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c(OC)c1 ZINC000001508073 568834663 /nfs/dbraw/zinc/83/46/63/568834663.db2.gz BOAXWVFVGCJCFL-UHFFFAOYSA-N 0 0 430.287 5.494 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)COc2ccc(Cl)cc2)C2CCCCC2)c1C ZINC000085711373 568835009 /nfs/dbraw/zinc/83/50/09/568835009.db2.gz XQXGFYBGXPVKQB-UHFFFAOYSA-N 0 0 446.975 5.202 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cccc(C)c2C)C2CCCCC2)c1C ZINC000085712266 568835343 /nfs/dbraw/zinc/83/53/43/568835343.db2.gz CIWNJFLMFUSAMQ-UHFFFAOYSA-N 0 0 425.573 5.792 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2)c1C ZINC000085711986 568835386 /nfs/dbraw/zinc/83/53/86/568835386.db2.gz VGQDGOVVFIAYJQ-UHFFFAOYSA-N 0 0 435.524 5.051 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2cccc(Cl)c2C)c1C ZINC000085712178 568835395 /nfs/dbraw/zinc/83/53/95/568835395.db2.gz WLMPQKIEZKLCQD-UHFFFAOYSA-N 0 0 443.931 5.597 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)NCCc2ccccc2)c1C ZINC000085711948 568835412 /nfs/dbraw/zinc/83/54/12/568835412.db2.gz YNTZGWMOISAXED-UHFFFAOYSA-N 0 0 447.579 5.071 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cc(C)ccc2C)C2CCCCC2)c1C ZINC000085712275 568835441 /nfs/dbraw/zinc/83/54/41/568835441.db2.gz NJRMRHNITIGOMV-UHFFFAOYSA-N 0 0 425.573 5.792 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccc(C)c(F)c2)C2CCCCC2)c1C ZINC000085712333 568835559 /nfs/dbraw/zinc/83/55/59/568835559.db2.gz KTKKISSRTJUGOE-UHFFFAOYSA-N 0 0 429.536 5.623 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)c2ccc(Cl)cc2)c1C ZINC000085711550 568835715 /nfs/dbraw/zinc/83/57/15/568835715.db2.gz RWOJEPQPYIBWGA-UHFFFAOYSA-N 0 0 438.955 5.347 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)C(=O)c2cccc(F)c2)c1C ZINC000085711673 568835740 /nfs/dbraw/zinc/83/57/40/568835740.db2.gz PWSWAKADCDSIHE-UHFFFAOYSA-N 0 0 442.918 5.443 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)C(=O)c2ccccc2F)c1C ZINC000085711688 568836000 /nfs/dbraw/zinc/83/60/00/568836000.db2.gz ZZAALSWLCYPEEY-UHFFFAOYSA-N 0 0 442.918 5.443 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2cccc(OC)c2)c1C ZINC000085711821 568836128 /nfs/dbraw/zinc/83/61/28/568836128.db2.gz GURXZVGOEDGYNU-UHFFFAOYSA-N 0 0 449.551 5.360 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2cccc(C)c2)c1C ZINC000085711894 568836164 /nfs/dbraw/zinc/83/61/64/568836164.db2.gz DNDAVYUIYBHQHJ-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccccc1C(F)(F)F ZINC000001784639 568836624 /nfs/dbraw/zinc/83/66/24/568836624.db2.gz XNPWWIUMCFLXFO-UHFFFAOYSA-N 0 0 441.525 5.580 50 0 IKAARN Clc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccncc2)cc1 ZINC000002261065 568836798 /nfs/dbraw/zinc/83/67/98/568836798.db2.gz WJWPEXDTIHTKOQ-UHFFFAOYSA-N 0 0 447.778 6.582 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1 ZINC000002438138 568836887 /nfs/dbraw/zinc/83/68/87/568836887.db2.gz KOPIBFZHHKAGRM-UHFFFAOYSA-N 0 0 436.562 5.550 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Br)cc1)CCCC3 ZINC000002358439 568836922 /nfs/dbraw/zinc/83/69/22/568836922.db2.gz SASNIDMHXDZVDT-UHFFFAOYSA-N 0 0 435.412 5.412 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000002669795 568836925 /nfs/dbraw/zinc/83/69/25/568836925.db2.gz WZFJHENEJIXVFP-UHFFFAOYSA-N 0 0 437.746 5.167 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1Cn1ncc2onc(-c3ccccc3Cl)c2c1=O ZINC000085824774 568837772 /nfs/dbraw/zinc/83/77/72/568837772.db2.gz LZJKGICKSJSIPZ-UHFFFAOYSA-N 0 0 432.867 5.025 50 0 IKAARN O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000001512499 568837968 /nfs/dbraw/zinc/83/79/68/568837968.db2.gz DBNLRJORVQJJCP-OAQYLSRUSA-N 0 0 445.320 5.317 50 0 IKAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccc(OC)c(OC)c3)c3ccccc3)c21 ZINC000085877201 568838569 /nfs/dbraw/zinc/83/85/69/568838569.db2.gz UYXGSZNEGFIYKD-HXUWFJFHSA-N 0 0 444.531 5.032 50 0 biogenic IKAARN CCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001514535 568839342 /nfs/dbraw/zinc/83/93/42/568839342.db2.gz HAZCROFMYAJNGW-QGZVFWFLSA-N 0 0 437.327 5.283 50 0 IKAARN Cc1ccc(C(=O)Nc2cc(-c3cccc(Br)c3)nn2-c2ccccc2)cc1 ZINC000015821118 568839777 /nfs/dbraw/zinc/83/97/77/568839777.db2.gz SBFFHNKDIXXOCV-UHFFFAOYSA-N 0 0 432.321 5.863 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1 ZINC000015822626 568840013 /nfs/dbraw/zinc/84/00/13/568840013.db2.gz IHYDZULOTQPUIQ-SANMLTNESA-N 0 0 444.625 6.156 50 0 IKAARN COc1cccc(NC(=O)COc2cc(CSc3ccc(Cl)cc3)ncc2OC)c1 ZINC000015824652 568840523 /nfs/dbraw/zinc/84/05/23/568840523.db2.gz OCJQZXHQDPNVOG-UHFFFAOYSA-N 0 0 444.940 5.062 50 0 IKAARN COc1cnc(CSc2ccccc2)cc1OCC(=O)Nc1cccc2ccccc21 ZINC000015824533 568840544 /nfs/dbraw/zinc/84/05/44/568840544.db2.gz CEVVCPXRUNRQCS-UHFFFAOYSA-N 0 0 430.529 5.553 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1Sc1ccc(F)cc1 ZINC000015828742 568841312 /nfs/dbraw/zinc/84/13/12/568841312.db2.gz DOYWMWLYDVLUDO-UHFFFAOYSA-N 0 0 447.915 6.150 50 0 IKAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3cccc(Br)c3)C2)cc1 ZINC000015830306 568841379 /nfs/dbraw/zinc/84/13/79/568841379.db2.gz BRKALXQEDYKGLO-IBGZPJMESA-N 0 0 428.355 5.578 50 0 IKAARN O=C(N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003137202 568841766 /nfs/dbraw/zinc/84/17/66/568841766.db2.gz HWGXGXSAUNWMHS-CQSZACIVSA-N 0 0 442.557 6.028 50 0 IKAARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(Br)cc1Cl ZINC000004542955 568841883 /nfs/dbraw/zinc/84/18/83/568841883.db2.gz VTWGIPONAKJZIY-JXMROGBWSA-N 0 0 437.120 6.668 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)Oc1ccc(Cl)cc1Cc1ccccc1 ZINC000001752635 568841973 /nfs/dbraw/zinc/84/19/73/568841973.db2.gz VTXWYRXCDLWJLA-UHFFFAOYSA-N 0 0 440.248 7.214 50 0 IKAARN O=C(Oc1ccccc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O ZINC000002163980 568842105 /nfs/dbraw/zinc/84/21/05/568842105.db2.gz NHDAZUXSEJSRFH-UHFFFAOYSA-N 0 0 438.888 5.251 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003086225 568842112 /nfs/dbraw/zinc/84/21/12/568842112.db2.gz DAXGTFWGRQACNB-UHFFFAOYSA-N 0 0 425.337 5.077 50 0 IKAARN Brc1cc(Br)c(I)c(-c2ccccc2)c1 ZINC000002172943 568842239 /nfs/dbraw/zinc/84/22/39/568842239.db2.gz SMKVFXSAGSVHMX-UHFFFAOYSA-N 0 0 437.900 5.483 50 0 IKAARN Cc1ccc(C(C)C)c(OCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1 ZINC000015833680 568842365 /nfs/dbraw/zinc/84/23/65/568842365.db2.gz MKIJLJGJMYLAGA-FQEVSTJZSA-N 0 0 445.563 6.021 50 0 IKAARN O=C(CSC(=S)N1CCCCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000033814635 568842372 /nfs/dbraw/zinc/84/23/72/568842372.db2.gz MNSCDGRDUHDQRO-SFHVURJKSA-N 0 0 447.626 5.069 50 0 IKAARN c1ccc(N2[C@H]3c4ccccc4CCN3N(c3ccccc3)[C@H]3c4ccccc4CCN32)cc1 ZINC000025694455 568842752 /nfs/dbraw/zinc/84/27/52/568842752.db2.gz APMRCQAMZADPEL-KYJUHHDHSA-N 0 0 444.582 5.957 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2)c(O)c1 ZINC000039959726 568842928 /nfs/dbraw/zinc/84/29/28/568842928.db2.gz RTCCKAYEADDTTF-OAQYLSRUSA-N 0 0 447.585 6.250 50 0 IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCCOc1ccc(-c2ccc(F)cc2F)cc1 ZINC000045068615 568843140 /nfs/dbraw/zinc/84/31/40/568843140.db2.gz MEWKUIMCBBWVJS-UHFFFAOYSA-N 0 0 444.477 6.464 50 0 IKAARN C(=C(/c1ccccc1)c1cccc(/C(=C\c2ccccc2)c2ccccc2)c1)\c1ccccc1 ZINC000071782901 568843273 /nfs/dbraw/zinc/84/32/73/568843273.db2.gz AZNLZXJCYWEKOV-LYROKIPLSA-N 0 0 434.582 8.864 50 0 IKAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccc(Cl)cc1Cl ZINC000006130567 568844861 /nfs/dbraw/zinc/84/48/61/568844861.db2.gz CJMOCHSUVJXAKY-UHFFFAOYSA-N 0 0 444.409 5.083 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000006134478 568845027 /nfs/dbraw/zinc/84/50/27/568845027.db2.gz PTIGEORDGJDLIH-IBGZPJMESA-N 0 0 429.495 5.143 50 0 IKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)c1 ZINC000006143805 568845855 /nfs/dbraw/zinc/84/58/55/568845855.db2.gz XXEFBXWTDBSDAS-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN CCOC(=O)c1c(Nc2cccc(C(C)=O)c2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000006144184 568846015 /nfs/dbraw/zinc/84/60/15/568846015.db2.gz NLBOHVORESJINV-UHFFFAOYSA-N 0 0 437.499 5.934 50 0 IKAARN CCOC(=O)c1c(Nc2cccc(OC)c2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000006144182 568846060 /nfs/dbraw/zinc/84/60/60/568846060.db2.gz ONWIBEXGJYXBKE-UHFFFAOYSA-N 0 0 425.488 5.740 50 0 IKAARN Cc1cc(SCC(=O)Nc2nsc(-c3ccc(Cl)cc3)n2)nc2ccccc12 ZINC000006148043 568846600 /nfs/dbraw/zinc/84/66/00/568846600.db2.gz QIEZQEJZIFYLQE-UHFFFAOYSA-N 0 0 426.954 5.446 50 0 IKAARN COc1ccc(C[C@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@H]23)CCCC5)cc1 ZINC000006148323 568846762 /nfs/dbraw/zinc/84/67/62/568846762.db2.gz XCUAPPLVYNFZIA-URXFXBBRSA-N 0 0 430.573 5.052 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccco1 ZINC000015859321 568847144 /nfs/dbraw/zinc/84/71/44/568847144.db2.gz HUWJQOWPJUWWJG-JOCHJYFZSA-N 0 0 436.895 5.353 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 ZINC000015859498 568847338 /nfs/dbraw/zinc/84/73/38/568847338.db2.gz BSWZKSCGDBFABO-DEOSSOPVSA-N 0 0 446.934 5.760 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 ZINC000015859518 568847491 /nfs/dbraw/zinc/84/74/91/568847491.db2.gz QUZQFYUSAOCOQE-DEOSSOPVSA-N 0 0 430.479 5.246 50 0 IKAARN COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1cccs1)N1CCOCC1 ZINC000015859381 568847557 /nfs/dbraw/zinc/84/75/57/568847557.db2.gz HHFNAYCGACVCHX-HSZRJFAPSA-N 0 0 448.544 5.177 50 0 IKAARN COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1cccs1)N1CCOCC1 ZINC000015859382 568847564 /nfs/dbraw/zinc/84/75/64/568847564.db2.gz HHFNAYCGACVCHX-QHCPKHFHSA-N 0 0 448.544 5.177 50 0 IKAARN Cc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000015859533 568847756 /nfs/dbraw/zinc/84/77/56/568847756.db2.gz QOMQNVJWFQYLFI-RUZDIDTESA-N 0 0 426.516 5.415 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000015860995 568848036 /nfs/dbraw/zinc/84/80/36/568848036.db2.gz DDZRIUOQGNFBKL-XMMPIXPASA-N 0 0 440.934 6.153 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2ccccc2nc1C(=O)c1ccc(Cl)cc1 ZINC000015861633 568848383 /nfs/dbraw/zinc/84/83/83/568848383.db2.gz FVGWELPVYQKOBA-UHFFFAOYSA-N 0 0 427.891 5.932 50 0 IKAARN Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)C4CCCCC4)cc3C)s2)cc1 ZINC000015862035 568848390 /nfs/dbraw/zinc/84/83/90/568848390.db2.gz NJRZVYZRFKXLMZ-UHFFFAOYSA-N 0 0 443.594 5.233 50 0 IKAARN CCOc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1 ZINC000006161547 568848909 /nfs/dbraw/zinc/84/89/09/568848909.db2.gz MYZCVYUXYSISBV-UHFFFAOYSA-N 0 0 436.364 5.490 50 0 IKAARN CCOc1cccc(CC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1OCC ZINC000015862716 568849110 /nfs/dbraw/zinc/84/91/10/568849110.db2.gz AVRFCVJEMFWBGT-UHFFFAOYSA-N 0 0 446.503 5.482 50 0 IKAARN COc1ccc(-c2c/c(=N\c3ccc(OCc4ccccc4)cc3)c3cc(O)ccc3o2)cc1 ZINC000006162673 568849131 /nfs/dbraw/zinc/84/91/31/568849131.db2.gz XAPVXPAKWXNFSO-KDJFERLWSA-N 0 0 449.506 6.625 50 0 IKAARN Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000015863606 568849264 /nfs/dbraw/zinc/84/92/64/568849264.db2.gz HDDUUNJUGQUOJZ-UHFFFAOYSA-N 0 0 434.337 5.671 50 0 IKAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1n[nH]c2c1CCc1ccccc1-2 ZINC000015863645 568849304 /nfs/dbraw/zinc/84/93/04/568849304.db2.gz MHAGEWPTPAWORF-UHFFFAOYSA-N 0 0 433.515 5.089 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c(OC)c1 ZINC000015863772 568849516 /nfs/dbraw/zinc/84/95/16/568849516.db2.gz PNBMKNQCYPVNGY-UHFFFAOYSA-N 0 0 439.537 5.085 50 0 IKAARN Cc1cc(Nc2c(C)c(C)nc3nc(Cc4cccc(F)c4)nn32)ccc1Br ZINC000015865149 568849888 /nfs/dbraw/zinc/84/98/88/568849888.db2.gz KHZQHOBOVQBMEX-UHFFFAOYSA-N 0 0 440.320 5.286 50 0 IKAARN Cc1cccc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C[C@H]2C)c1 ZINC000015864915 568850274 /nfs/dbraw/zinc/85/02/74/568850274.db2.gz VUQFHBFHRLBVQR-QGZVFWFLSA-N 0 0 434.996 6.035 50 0 IKAARN Cc1ccc(C)c(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)c1 ZINC000015864919 568850368 /nfs/dbraw/zinc/85/03/68/568850368.db2.gz NFARLYFZHIFZGO-UHFFFAOYSA-N 0 0 434.996 5.955 50 0 IKAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc(C)c(Cl)c3)nc2c1 ZINC000015865442 568850498 /nfs/dbraw/zinc/85/04/98/568850498.db2.gz WADSKCBFWUQFIF-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4c(C)cc(C)cc4C)nc3n2)cc1 ZINC000015868185 568851041 /nfs/dbraw/zinc/85/10/41/568851041.db2.gz MBULHVIIZYCDRZ-UHFFFAOYSA-N 0 0 439.441 5.296 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(C(C)(C)C)s1)CC(=O)N2 ZINC000015868347 568851181 /nfs/dbraw/zinc/85/11/81/568851181.db2.gz BAGQFLVINATDTD-CQSZACIVSA-N 0 0 436.606 5.932 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000015868304 568851283 /nfs/dbraw/zinc/85/12/83/568851283.db2.gz KBFXXFXJTGPWIS-GFCCVEGCSA-N 0 0 429.332 5.571 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000015868295 568851295 /nfs/dbraw/zinc/85/12/95/568851295.db2.gz QKKNHRFPCKTBRF-LBPRGKRZSA-N 0 0 443.359 5.880 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000015867955 568851400 /nfs/dbraw/zinc/85/14/00/568851400.db2.gz AMODBWFQEQVGOD-CYBMUJFWSA-N 0 0 428.439 5.283 50 0 IKAARN CCn1c(CCc2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)nc2ccccc21 ZINC000015870477 568851567 /nfs/dbraw/zinc/85/15/67/568851567.db2.gz XKOKAHDROURWGV-UHFFFAOYSA-N 0 0 447.604 5.766 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870544 568851962 /nfs/dbraw/zinc/85/19/62/568851962.db2.gz GZKLKHQOJIXXMX-UHFFFAOYSA-N 0 0 433.577 5.283 50 0 IKAARN CCn1c(CCc2cccc(NS(=O)(=O)c3cc(C)c(C)cc3C)c2)nc2ccccc21 ZINC000015870497 568851981 /nfs/dbraw/zinc/85/19/81/568851981.db2.gz SEWYYIMGADAAHC-UHFFFAOYSA-N 0 0 447.604 5.567 50 0 IKAARN CCn1c(CCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc2ccccc21 ZINC000015870613 568851990 /nfs/dbraw/zinc/85/19/90/568851990.db2.gz PPJKOLMMYUZBJP-UHFFFAOYSA-N 0 0 447.604 5.567 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1C ZINC000015870565 568852002 /nfs/dbraw/zinc/85/20/02/568852002.db2.gz HIHXZMDLSUZGHP-UHFFFAOYSA-N 0 0 433.577 5.085 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3CC)c2)cc1 ZINC000015870491 568852025 /nfs/dbraw/zinc/85/20/25/568852025.db2.gz KGXOMXPHAFWHKV-UHFFFAOYSA-N 0 0 449.576 5.041 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc2ccccc21 ZINC000015870759 568852184 /nfs/dbraw/zinc/85/21/84/568852184.db2.gz MDUNDQYJKHHUAD-UHFFFAOYSA-N 0 0 447.604 5.649 50 0 IKAARN CC1(C)Cc2c(c(=NCc3ccccc3)nc(-c3ccccc3)n2CCc2ccccc2)CO1 ZINC000334157065 568852499 /nfs/dbraw/zinc/85/24/99/568852499.db2.gz WQVOVWAYUPHPHT-UHFFFAOYSA-N 0 0 449.598 5.745 50 0 IKAARN CCCCCOc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000015880221 568854204 /nfs/dbraw/zinc/85/42/04/568854204.db2.gz ZRYCIYPSZAABCI-UHFFFAOYSA-N 0 0 435.593 5.523 50 0 IKAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000015881451 568855060 /nfs/dbraw/zinc/85/50/60/568855060.db2.gz GGJPOOKWQUPBRU-UHFFFAOYSA-N 0 0 428.414 5.301 50 0 IKAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000015881847 568855667 /nfs/dbraw/zinc/85/56/67/568855667.db2.gz UMCHIKYBFDECEE-UHFFFAOYSA-N 0 0 442.949 5.029 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000015881806 568856066 /nfs/dbraw/zinc/85/60/66/568856066.db2.gz SMTWJHHGOCMMGL-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3Cl)s2)cc1OC ZINC000015881802 568856154 /nfs/dbraw/zinc/85/61/54/568856154.db2.gz RRSOYSFXGOXQMS-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(ccc(C)c3C)s2)c1OC ZINC000015881823 568856172 /nfs/dbraw/zinc/85/61/72/568856172.db2.gz LXGKLMZEGKTKGS-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN Cc1c(CCNC(=O)c2ccccc2Cl)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015882110 568856513 /nfs/dbraw/zinc/85/65/13/568856513.db2.gz PRAXQRZHRGLJJX-UHFFFAOYSA-N 0 0 431.348 5.046 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000015882878 568857382 /nfs/dbraw/zinc/85/73/82/568857382.db2.gz RNVKYWVNEQRSDA-UHFFFAOYSA-N 0 0 439.353 5.254 50 0 IKAARN O=C(NC1CCCCCCCCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883296 568857431 /nfs/dbraw/zinc/85/74/31/568857431.db2.gz YYOANKOEUOWYSN-UHFFFAOYSA-N 0 0 445.607 5.848 50 0 IKAARN CCCCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000015883349 568857584 /nfs/dbraw/zinc/85/75/84/568857584.db2.gz WELBNXLVFAIVMJ-UHFFFAOYSA-N 0 0 429.495 5.179 50 0 IKAARN O=C1c2ccccc2C(=CNc2cccc(F)c2)C(=O)N1c1ccccc1C(F)(F)F ZINC000015906008 568858460 /nfs/dbraw/zinc/85/84/60/568858460.db2.gz HQLWOUPTQLWIEE-AQTBWJFISA-N 0 0 426.369 5.485 50 0 IKAARN CCCCCOc1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(OCCCCC)cc2)cc1 ZINC000015905884 568858498 /nfs/dbraw/zinc/85/84/98/568858498.db2.gz HPKSGVLDXMGMEW-WMPKNSHKSA-N 0 0 444.568 5.981 50 0 IKAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000015912111 568858640 /nfs/dbraw/zinc/85/86/40/568858640.db2.gz UHMIZFLHVWHARZ-UHFFFAOYSA-N 0 0 443.304 5.793 50 0 IKAARN CCCCOc1ccc(C(=O)O[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)cc1 ZINC000015978161 568861703 /nfs/dbraw/zinc/86/17/03/568861703.db2.gz AITWSBYFRIMUQY-VWLOTQADSA-N 0 0 447.531 5.801 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000016005128 568862247 /nfs/dbraw/zinc/86/22/47/568862247.db2.gz GOLUJRCUQOBMSD-UHFFFAOYSA-N 0 0 440.277 5.709 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cc2)n1 ZINC000016011283 568862698 /nfs/dbraw/zinc/86/26/98/568862698.db2.gz MHCWGWMBPOKNOO-UHFFFAOYSA-N 0 0 449.942 5.243 50 0 IKAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1C ZINC000012937486 568867370 /nfs/dbraw/zinc/86/73/70/568867370.db2.gz RLCVNHGALWHVGX-UHFFFAOYSA-N 0 0 431.319 5.581 50 0 IKAARN COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccccc2Cl)n1 ZINC000575442855 568867895 /nfs/dbraw/zinc/86/78/95/568867895.db2.gz GRQUKQLIPQFFHT-UHFFFAOYSA-N 0 0 448.910 5.729 50 0 IKAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc4oc5ccccc5c4c3)cc2)CC1 ZINC000016044423 568868566 /nfs/dbraw/zinc/86/85/66/568868566.db2.gz ARRYCIPTJLBPLJ-UHFFFAOYSA-N 0 0 449.528 5.226 50 0 IKAARN CCCCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016044040 568868572 /nfs/dbraw/zinc/86/85/72/568868572.db2.gz RIYZGVZKORHVKM-LSDHHAIUSA-N 0 0 438.351 5.595 50 0 IKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=S)N1 ZINC000016043833 568868579 /nfs/dbraw/zinc/86/85/79/568868579.db2.gz YEIWVOZNQDZOHB-HXUWFJFHSA-N 0 0 441.915 5.171 50 0 IKAARN O=C(c1cccc(F)c1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl ZINC000575443081 568868869 /nfs/dbraw/zinc/86/88/69/568868869.db2.gz OJEURWALFCMTJA-UHFFFAOYSA-N 0 0 441.293 6.505 50 0 IKAARN COC(=O)c1ccc2c(c1)nc(CN[C@H](c1ccc(C3CCCCC3)cc1)C(C)C)[nH]c2=O ZINC000016046621 568868880 /nfs/dbraw/zinc/86/88/80/568868880.db2.gz CUZLZOIMKUUONN-VWLOTQADSA-N 0 0 447.579 5.657 50 0 IKAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1nc2ccccc2s1 ZINC000016047497 568868918 /nfs/dbraw/zinc/86/89/18/568868918.db2.gz QEIKRHXNTVADSF-UHFFFAOYSA-N 0 0 443.941 5.231 50 0 IKAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc2ccccc21 ZINC000016047490 568868922 /nfs/dbraw/zinc/86/89/22/568868922.db2.gz WJLFZPSHOPBIKT-UHFFFAOYSA-N 0 0 436.924 5.775 50 0 IKAARN COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccc(Cl)cc2)n1 ZINC000575443198 568868993 /nfs/dbraw/zinc/86/89/93/568868993.db2.gz QKBMYBOWYCBSMC-UHFFFAOYSA-N 0 0 448.910 5.729 50 0 IKAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000016047594 568869210 /nfs/dbraw/zinc/86/92/10/568869210.db2.gz CWOXXMQBVFDDRV-UHFFFAOYSA-N 0 0 438.270 5.527 50 0 IKAARN CCCc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)ccc12 ZINC000012944281 568870434 /nfs/dbraw/zinc/87/04/34/568870434.db2.gz KGOVGHPTDLBURZ-UHFFFAOYSA-N 0 0 437.879 5.592 50 0 IKAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1Oc1ccccc1Cl ZINC000012946274 568871065 /nfs/dbraw/zinc/87/10/65/568871065.db2.gz KOBAVGZYODCWKU-UHFFFAOYSA-N 0 0 438.911 6.576 50 0 IKAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)(C)C)n2)cc1 ZINC000585152305 568872926 /nfs/dbraw/zinc/87/29/26/568872926.db2.gz NBFKWNKXNPHVFE-KRWDZBQOSA-N 0 0 434.323 5.569 50 0 IKAARN O=c1/c(=C/c2ccc(Oc3ccc(Cl)cc3)cc2Cl)sc2nc3ccccc3n12 ZINC000585152303 568872993 /nfs/dbraw/zinc/87/29/93/568872993.db2.gz MVXMFISAFQEFOL-JAIQZWGSSA-N 0 0 439.323 5.556 50 0 IKAARN Cc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3Cl)n1)[C@@H](C)CC(C)(C)N2 ZINC000575473207 568873229 /nfs/dbraw/zinc/87/32/29/568873229.db2.gz NPGWTKWXBVPPQX-AWEZNQCLSA-N 0 0 427.379 7.200 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000016227246 568873476 /nfs/dbraw/zinc/87/34/76/568873476.db2.gz NXRPBKZUOWHWDZ-OAQYLSRUSA-N 0 0 438.886 5.488 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1 ZINC000016262351 568875104 /nfs/dbraw/zinc/87/51/04/568875104.db2.gz XTBBYXXLJYGVQV-GOSISDBHSA-N 0 0 429.998 5.072 50 0 IKAARN CCCCOc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016262194 568875208 /nfs/dbraw/zinc/87/52/08/568875208.db2.gz ISPNURWRHOHFRQ-QFIPXVFZSA-N 0 0 441.959 5.171 50 0 IKAARN O=C(/C=C/c1nc2ccccc2s1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000008878594 568877806 /nfs/dbraw/zinc/87/78/06/568877806.db2.gz AWIUVZVPAVWLOR-VAWYXSNFSA-N 0 0 436.924 5.204 50 0 IKAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)o1 ZINC000002460381 568878077 /nfs/dbraw/zinc/87/80/77/568878077.db2.gz PLBNSXNOBAGHMK-UHFFFAOYSA-N 0 0 427.323 5.557 50 0 IKAARN CC(C)[C@@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000000633050 568880048 /nfs/dbraw/zinc/88/00/48/568880048.db2.gz RTKCWUIPMWSULP-FTJBHMTQSA-N 0 0 443.543 6.115 50 0 IKAARN CC(C)[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000000633045 568880145 /nfs/dbraw/zinc/88/01/45/568880145.db2.gz RTKCWUIPMWSULP-CLJLJLNGSA-N 0 0 443.543 6.115 50 0 IKAARN 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 ZINC000035361116 568880464 /nfs/dbraw/zinc/88/04/64/568880464.db2.gz XDVHIXRJLWUKRR-KCVJTSCTSA-N 0 0 440.624 6.136 50 0 biogenic IKAARN CCOc1ccccc1C1=N/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(=O)O1 ZINC000006270975 568881438 /nfs/dbraw/zinc/88/14/38/568881438.db2.gz DZQFDPMQIJXULE-QNGOZBTKSA-N 0 0 429.472 5.017 50 0 IKAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575616900 568881745 /nfs/dbraw/zinc/88/17/45/568881745.db2.gz LCABCRYUBQSLSG-OAQYLSRUSA-N 0 0 445.993 5.071 50 0 IKAARN Cc1cc2nc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc43)sc2cc1C ZINC000009545388 568883647 /nfs/dbraw/zinc/88/36/47/568883647.db2.gz NNYJIGWTCCAQPM-UHFFFAOYSA-N 0 0 437.568 6.237 50 0 IKAARN Cc1cc(=O)c(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1ccccc1Cl ZINC000009861727 568884234 /nfs/dbraw/zinc/88/42/34/568884234.db2.gz BTFUPKLLFIUXEY-UHFFFAOYSA-N 0 0 429.907 5.037 50 0 IKAARN CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(Cl)s3)sc2c1 ZINC000010832981 568884576 /nfs/dbraw/zinc/88/45/76/568884576.db2.gz OHJZPSMBRDTITH-LLVKDONJSA-N 0 0 425.000 5.559 50 0 IKAARN CSc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)s3)sc2c1 ZINC000010832971 568884612 /nfs/dbraw/zinc/88/46/12/568884612.db2.gz OHJZPSMBRDTITH-NSHDSACASA-N 0 0 425.000 5.559 50 0 IKAARN CC(=O)[C@@H]1C[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@@H]12 ZINC000226873552 568885483 /nfs/dbraw/zinc/88/54/83/568885483.db2.gz VGHIIJSHMNDPAA-TWRBBEJXSA-N 0 0 444.534 5.824 50 0 IKAARN CC(=O)[C@@H]1C[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@@H]12 ZINC000226873538 568885618 /nfs/dbraw/zinc/88/56/18/568885618.db2.gz VGHIIJSHMNDPAA-WTWMYVDVSA-N 0 0 444.534 5.824 50 0 IKAARN Cc1cc(N[C@H](NC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 ZINC000227086128 568885622 /nfs/dbraw/zinc/88/56/22/568885622.db2.gz YUUIRIHCCSBENU-XTWPYSKKSA-N 0 0 426.772 5.278 50 0 IKAARN COc1ccc(OC)c([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 ZINC000102675557 568887887 /nfs/dbraw/zinc/88/78/87/568887887.db2.gz JSGXHINLAZTFER-QFIPXVFZSA-N 0 0 448.548 5.259 50 0 IKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000102673521 568887908 /nfs/dbraw/zinc/88/79/08/568887908.db2.gz YCTKTUKPUOEWDH-XDHUDOTRSA-N 0 0 426.907 6.150 50 0 IKAARN COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000020352921 568889718 /nfs/dbraw/zinc/88/97/18/568889718.db2.gz FPVFEIBTNZKHAV-CBSVSYFXSA-N 0 0 433.592 5.727 50 0 biogenic IKAARN O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012977452 568891225 /nfs/dbraw/zinc/89/12/25/568891225.db2.gz ZZEPXDQQGKUUDT-GFCCVEGCSA-N 0 0 435.774 5.732 50 0 IKAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cc(Br)ccc1Cl ZINC000090613660 568892507 /nfs/dbraw/zinc/89/25/07/568892507.db2.gz QHBFVLWBBHHRLG-MRXNPFEDSA-N 0 0 442.787 5.237 50 0 IKAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccc(Cl)c(Cl)c1 ZINC000006346352 568893183 /nfs/dbraw/zinc/89/31/83/568893183.db2.gz DAZYKSUOYGYXKT-UHFFFAOYSA-N 0 0 444.409 5.083 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012980771 568893688 /nfs/dbraw/zinc/89/36/88/568893688.db2.gz OZNAXPSWDFVRPC-SJCJKPOMSA-N 0 0 442.928 5.052 50 0 IKAARN COc1cccc(C=C(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c2ccccc2)c1 ZINC000015980224 568894099 /nfs/dbraw/zinc/89/40/99/568894099.db2.gz TZTZTHWBJKLBGJ-PXLXIMEGSA-N 0 0 438.426 5.263 50 0 IKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000006402943 568894199 /nfs/dbraw/zinc/89/41/99/568894199.db2.gz RYYOZEZJEQLLOR-RUZDIDTESA-N 0 0 427.525 7.689 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)Nc1ccc2c(c1)CCC2 ZINC000016044144 568894295 /nfs/dbraw/zinc/89/42/95/568894295.db2.gz NSXCDXSZKNMWIK-VAWYXSNFSA-N 0 0 440.374 5.996 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012982733 568894746 /nfs/dbraw/zinc/89/47/46/568894746.db2.gz RTIVFDYKXOADLH-UHFFFAOYSA-N 0 0 442.625 5.254 50 0 IKAARN O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000012987139 568895147 /nfs/dbraw/zinc/89/51/47/568895147.db2.gz FFEKYNTWYYOIDK-UHFFFAOYSA-N 0 0 435.833 5.143 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012984301 568895397 /nfs/dbraw/zinc/89/53/97/568895397.db2.gz ZCNHMOUDCRNCLD-UHFFFAOYSA-N 0 0 438.314 5.983 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5c(c4)CC(=O)N5)c23)cc1 ZINC000012984010 568895527 /nfs/dbraw/zinc/89/55/27/568895527.db2.gz OBBXVPFRYISSRH-UHFFFAOYSA-N 0 0 431.542 5.136 50 0 IKAARN COc1cc(/C=C/c2ccc3ccccc3n2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000025424621 568895752 /nfs/dbraw/zinc/89/57/52/568895752.db2.gz AKJCMMPMHOOELS-FMIVXFBMSA-N 0 0 435.445 7.012 50 0 IKAARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000033695247 568896180 /nfs/dbraw/zinc/89/61/80/568896180.db2.gz LFNXSJPMIIXDRK-UHFFFAOYSA-N 0 0 445.522 6.445 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000012991472 568896327 /nfs/dbraw/zinc/89/63/27/568896327.db2.gz CLUTULRLKJVCCZ-CYBMUJFWSA-N 0 0 435.380 5.490 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2noc(-c3ccco3)n2)n1Cc1ccccc1 ZINC000012996804 568896913 /nfs/dbraw/zinc/89/69/13/568896913.db2.gz GMMHAJXWIWTHDD-UHFFFAOYSA-N 0 0 433.468 5.068 50 0 IKAARN O=C(c1ccc(OC(F)F)cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000012997729 568897065 /nfs/dbraw/zinc/89/70/65/568897065.db2.gz OQISPVIIHMGRAV-UHFFFAOYSA-N 0 0 447.869 5.576 50 0 IKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000035671491 568897173 /nfs/dbraw/zinc/89/71/73/568897173.db2.gz OLLVSURQLZYXHU-UHFFFAOYSA-N 0 0 440.430 6.019 50 0 IKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000035671360 568897207 /nfs/dbraw/zinc/89/72/07/568897207.db2.gz RBLMMJDLTSBMJH-UHFFFAOYSA-N 0 0 426.498 5.185 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000035671329 568897260 /nfs/dbraw/zinc/89/72/60/568897260.db2.gz GLXLNEBNIBZSKU-NTEUORMPSA-N 0 0 445.544 6.051 50 0 IKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 ZINC000035671493 568897266 /nfs/dbraw/zinc/89/72/66/568897266.db2.gz BBRBQLPDSZCHQV-DHZHZOJOSA-N 0 0 434.546 5.559 50 0 IKAARN COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCc2ccccc2)cc1 ZINC000096398712 568899095 /nfs/dbraw/zinc/89/90/95/568899095.db2.gz UBADEIZVROSUEQ-PYCFMQQDSA-N 0 0 435.523 6.477 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000103004984 568900615 /nfs/dbraw/zinc/90/06/15/568900615.db2.gz KDUGNIIOJSFLIJ-KGENOOAVSA-N 0 0 436.433 5.962 50 0 IKAARN Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)c2ccccc2N(CCc2ccccc2)C1=O ZINC000006438852 568901382 /nfs/dbraw/zinc/90/13/82/568901382.db2.gz LTPZVZDYSSCAPK-NDEPHWFRSA-N 0 0 427.544 5.168 50 0 IKAARN C[C@@H]1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc2S1 ZINC000013015234 568901491 /nfs/dbraw/zinc/90/14/91/568901491.db2.gz YUSPRFUQBRIYJF-GOSISDBHSA-N 0 0 432.545 5.235 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(Sc2nc3ccccc3c(-c3ccccc3)n2)o1 ZINC000013014195 568901858 /nfs/dbraw/zinc/90/18/58/568901858.db2.gz WJHAEVVESFZXJE-HNNXBMFYSA-N 0 0 444.491 6.110 50 0 IKAARN COC(=O)c1ccc(CN(C)Cn2nc(Nc3cccc(Cl)c3C)sc2=S)cc1 ZINC000013017885 568901868 /nfs/dbraw/zinc/90/18/68/568901868.db2.gz FPMHHPDORWREMV-UHFFFAOYSA-N 0 0 449.001 5.256 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)N(C(C)C)C1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013018870 568901997 /nfs/dbraw/zinc/90/19/97/568901997.db2.gz MQSHTSYGQQPFPA-UHFFFAOYSA-N 0 0 438.955 5.242 50 0 IKAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 ZINC000001746548 568904119 /nfs/dbraw/zinc/90/41/19/568904119.db2.gz GJVYYXKVQZLKGA-UHFFFAOYSA-N 0 0 447.563 7.473 50 0 IKAARN COc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1OC ZINC000001746688 568904217 /nfs/dbraw/zinc/90/42/17/568904217.db2.gz ZQLIRKHOPMIJPK-YADHBBJMSA-N 0 0 426.310 5.697 50 0 IKAARN O=C(/C=C/c1cccc(Cl)c1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000001751017 568904600 /nfs/dbraw/zinc/90/46/00/568904600.db2.gz SSYDKTPPKSSROK-RMKNXTFCSA-N 0 0 433.758 5.802 50 0 IKAARN Cc1oc2c(C)c(OC(=O)CCC3CCCC3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000001750624 568904618 /nfs/dbraw/zinc/90/46/18/568904618.db2.gz TVMJBHNYQMJCOH-UHFFFAOYSA-N 0 0 447.556 6.562 50 0 IKAARN O=C(OC[C@H]1[C@H](COC(=O)c2ccccc2Cl)C1(Cl)Cl)c1ccccc1Cl ZINC000001751532 568904629 /nfs/dbraw/zinc/90/46/29/568904629.db2.gz ZXIGIRHSXSWKBO-KBPBESRZSA-N 0 0 448.129 5.427 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000036352122 568905711 /nfs/dbraw/zinc/90/57/11/568905711.db2.gz POSPTOJRPFMJEK-GGAORHGYSA-N 0 0 443.761 7.198 50 0 IKAARN Cc1cc(OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)c(C(C)C)cc1Cl ZINC000001763237 568905765 /nfs/dbraw/zinc/90/57/65/568905765.db2.gz JYQPXZFJKHFCAY-UHFFFAOYSA-N 0 0 441.000 6.272 50 0 IKAARN CCCCC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001769117 568905864 /nfs/dbraw/zinc/90/58/64/568905864.db2.gz LIIUZNQKFKPXGM-UHFFFAOYSA-N 0 0 434.410 6.317 50 0 IKAARN Cc1ccc(Cc2cnc(NC(=O)CCCOc3ccc(Br)cc3)s2)cc1 ZINC000001769918 568905905 /nfs/dbraw/zinc/90/59/05/568905905.db2.gz JCOCBJSHVOCNHD-UHFFFAOYSA-N 0 0 445.382 5.603 50 0 IKAARN Cc1cccc(Oc2coc3cc(OCc4ccc(Br)cc4)ccc3c2=O)c1 ZINC000001769968 568905908 /nfs/dbraw/zinc/90/59/08/568905908.db2.gz FMOFZMAYGCHTBY-UHFFFAOYSA-N 0 0 437.289 6.235 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O)c1ccccc1 ZINC000001771720 568906116 /nfs/dbraw/zinc/90/61/16/568906116.db2.gz UPEJYRYJXZBKDW-UHFFFAOYSA-N 0 0 434.447 6.472 50 0 IKAARN COc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 ZINC000001772086 568906177 /nfs/dbraw/zinc/90/61/77/568906177.db2.gz SEVPIOCKTQHZAU-UHFFFAOYSA-N 0 0 443.282 6.480 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001772391 568906386 /nfs/dbraw/zinc/90/63/86/568906386.db2.gz XDRDUIQQYNCLSL-XNTDXEJSSA-N 0 0 434.447 6.357 50 0 IKAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(I)cc1 ZINC000001774742 568906401 /nfs/dbraw/zinc/90/64/01/568906401.db2.gz AICXFFVLCPVDLP-UHFFFAOYSA-N 0 0 446.288 5.377 50 0 IKAARN O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3cccc(Cl)c3)ccc21 ZINC000001772375 568906403 /nfs/dbraw/zinc/90/64/03/568906403.db2.gz BEWIXESLQDPVOM-UHFFFAOYSA-N 0 0 428.871 6.971 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(Nc3ccc(I)cc3)n2)cc1 ZINC000001775383 568906464 /nfs/dbraw/zinc/90/64/64/568906464.db2.gz SIXKIWYAXJIONI-UHFFFAOYSA-N 0 0 437.284 5.953 50 0 IKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000001775419 568906569 /nfs/dbraw/zinc/90/65/69/568906569.db2.gz RUJHPKVRCPCNTC-UHFFFAOYSA-N 0 0 446.934 6.696 50 0 IKAARN O=C(CCc1ccccc1)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1Cl)c2=O ZINC000001777124 568906593 /nfs/dbraw/zinc/90/65/93/568906593.db2.gz ALPBQSGJNLYSAO-UHFFFAOYSA-N 0 0 439.294 6.305 50 0 IKAARN COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)c1 ZINC000001777117 568906594 /nfs/dbraw/zinc/90/65/94/568906594.db2.gz ZHIZTHJWTVROAY-UHFFFAOYSA-N 0 0 436.847 5.350 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)CC(C)(C)C)cc2oc1C(F)(F)F ZINC000001777115 568906595 /nfs/dbraw/zinc/90/65/95/568906595.db2.gz NVBSRGWFBFOVOW-UHFFFAOYSA-N 0 0 434.410 5.829 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCCOc2cc(C)ccc2C)sc2c1CC[C@@H](C)C2 ZINC000001779153 568906700 /nfs/dbraw/zinc/90/67/00/568906700.db2.gz CHERNXLFNBHCIP-MRXNPFEDSA-N 0 0 429.582 5.464 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000001777668 568906747 /nfs/dbraw/zinc/90/67/47/568906747.db2.gz DOPVLJPPEDOXDD-UHFFFAOYSA-N 0 0 429.925 5.571 50 0 IKAARN COc1ccccc1-c1coc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2c1=O ZINC000001780165 568906767 /nfs/dbraw/zinc/90/67/67/568906767.db2.gz RGVKWYFYGDFHIE-UHFFFAOYSA-N 0 0 428.484 5.985 50 0 IKAARN CN(C)c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)NC1CCCCC1 ZINC000035706166 568907106 /nfs/dbraw/zinc/90/71/06/568907106.db2.gz ZADHGUWWQHHESJ-UHFFFAOYSA-N 0 0 449.382 5.766 50 0 IKAARN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000001782379 568907142 /nfs/dbraw/zinc/90/71/42/568907142.db2.gz KECXMVSSQMLFHM-DHZHZOJOSA-N 0 0 443.366 5.932 50 0 IKAARN CC[C@H](C)NC(=O)c1cc(NC(=O)Nc2cccc3ccccc32)ccc1N1CCCC1 ZINC000035709584 568907581 /nfs/dbraw/zinc/90/75/81/568907581.db2.gz XABJTIJILZOYAU-SFHVURJKSA-N 0 0 430.552 5.612 50 0 IKAARN CCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001787080 568907676 /nfs/dbraw/zinc/90/76/76/568907676.db2.gz VLPDDRIVWSQPPX-CQSZACIVSA-N 0 0 430.601 5.644 50 0 IKAARN O=C1C(Cl)=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001786211 568907692 /nfs/dbraw/zinc/90/76/92/568907692.db2.gz QEGXCVCGOBUMKJ-UHFFFAOYSA-N 0 0 439.298 5.564 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000035723059 568908191 /nfs/dbraw/zinc/90/81/91/568908191.db2.gz QXJZMIAEXQYJFM-UHFFFAOYSA-N 0 0 448.611 5.747 50 0 IKAARN Cc1oc2cc(Br)c(OC/C=C/c3ccccc3)cc2c1C(=O)OC(C)C ZINC000001799034 568908297 /nfs/dbraw/zinc/90/82/97/568908297.db2.gz KVQPQQKXWHUYNN-JXMROGBWSA-N 0 0 429.310 6.161 50 0 IKAARN CCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3cccc4ccccc43)n2)cc1 ZINC000001800131 568908548 /nfs/dbraw/zinc/90/85/48/568908548.db2.gz MCSNZEZSLJVEHL-UHFFFAOYSA-N 0 0 449.550 7.062 50 0 biogenic IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCCOc1ccccc1F ZINC000001801722 568908563 /nfs/dbraw/zinc/90/85/63/568908563.db2.gz ZQDCCKLNSMENSN-UHFFFAOYSA-N 0 0 436.914 6.105 50 0 IKAARN CCc1ccc(N2C(=O)C(Nc3ccc(C)cc3C)=C(Sc3ccc(C)cc3)C2=O)cc1 ZINC000001806523 568908660 /nfs/dbraw/zinc/90/86/60/568908660.db2.gz GCKZUFAAJVMUPB-UHFFFAOYSA-N 0 0 442.584 6.163 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000013063463 568908736 /nfs/dbraw/zinc/90/87/36/568908736.db2.gz YSJVJSKDNOCIGM-RMKNXTFCSA-N 0 0 439.430 5.172 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576680 568909589 /nfs/dbraw/zinc/90/95/89/568909589.db2.gz RPOQKDRVSTUDGM-IGKIAQTJSA-N 0 0 438.914 6.246 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576691 568909701 /nfs/dbraw/zinc/90/97/01/568909701.db2.gz RPOQKDRVSTUDGM-SQHAQQRYSA-N 0 0 438.914 6.246 50 0 IKAARN COc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)cc1OC ZINC000013071160 568909905 /nfs/dbraw/zinc/90/99/05/568909905.db2.gz PITIGHCKTMTLKJ-UHFFFAOYSA-N 0 0 439.368 5.021 50 0 IKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCCC1)O2 ZINC000025577507 568909908 /nfs/dbraw/zinc/90/99/08/568909908.db2.gz KGVFHFPUOPVGQI-HSZRJFAPSA-N 0 0 447.376 6.806 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccccc1 ZINC000001816596 568915270 /nfs/dbraw/zinc/91/52/70/568915270.db2.gz JRAPHHUAABOYRW-SANMLTNESA-N 0 0 445.603 6.443 50 0 biogenic IKAARN Cc1cccc(-n2c(=O)c3c(nc2SCCc2ccccc2)sc2c3CCCC2)c1 ZINC000001821466 568915663 /nfs/dbraw/zinc/91/56/63/568915663.db2.gz NUJQIJNOQJQPRJ-UHFFFAOYSA-N 0 0 432.614 5.969 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001824210 568915677 /nfs/dbraw/zinc/91/56/77/568915677.db2.gz GSYJOFBDYNCAAP-LJQANCHMSA-N 0 0 442.650 6.135 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001824211 568915701 /nfs/dbraw/zinc/91/57/01/568915701.db2.gz GSYJOFBDYNCAAP-IBGZPJMESA-N 0 0 442.650 6.135 50 0 IKAARN Cc1cccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)c1 ZINC000001826641 568915881 /nfs/dbraw/zinc/91/58/81/568915881.db2.gz ABEJQYXLEFPUBW-LJQANCHMSA-N 0 0 442.650 5.991 50 0 IKAARN CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)CCC3 ZINC000001832756 568916013 /nfs/dbraw/zinc/91/60/13/568916013.db2.gz AOQQTKQYNSWOIL-UHFFFAOYSA-N 0 0 438.622 5.564 50 0 IKAARN Cc1ccc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1C ZINC000001830423 568916024 /nfs/dbraw/zinc/91/60/24/568916024.db2.gz OWAOTWGDPNNFHH-UHFFFAOYSA-N 0 0 448.950 5.429 50 0 IKAARN CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001833002 568916043 /nfs/dbraw/zinc/91/60/43/568916043.db2.gz OFPJCMFEHHSASL-UHFFFAOYSA-N 0 0 432.589 5.778 50 0 biogenic IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCCCCCCC2)c1ccccc1 ZINC000001834473 568916189 /nfs/dbraw/zinc/91/61/89/568916189.db2.gz WGMNSRXQYLPVSV-UHFFFAOYSA-N 0 0 429.560 6.494 50 0 biogenic IKAARN Cc1cccc(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1C ZINC000001834763 568916193 /nfs/dbraw/zinc/91/61/93/568916193.db2.gz QEOOYWKDHZAREE-UHFFFAOYSA-N 0 0 446.978 6.583 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000001839339 568916415 /nfs/dbraw/zinc/91/64/15/568916415.db2.gz XHYFVPGTYANHLJ-UHFFFAOYSA-N 0 0 447.585 5.721 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)c(C)c1 ZINC000001851680 568916664 /nfs/dbraw/zinc/91/66/64/568916664.db2.gz OBFQNJWGAIOPFI-UHFFFAOYSA-N 0 0 431.586 6.015 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000001857092 568916919 /nfs/dbraw/zinc/91/69/19/568916919.db2.gz CXBPTCKLOJZLKG-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000001903595 568919328 /nfs/dbraw/zinc/91/93/28/568919328.db2.gz GSVYVSJXHPDNPK-NDEPHWFRSA-N 0 0 444.644 6.465 50 0 IKAARN O=C(CSc1nc2ccccc2nc1SCC(=O)c1ccccc1)c1ccccc1 ZINC000001908965 568919659 /nfs/dbraw/zinc/91/96/59/568919659.db2.gz WHSACRNLHUBLSN-UHFFFAOYSA-N 0 0 430.554 5.580 50 0 IKAARN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006472296 568919843 /nfs/dbraw/zinc/91/98/43/568919843.db2.gz ZQDZBEBYUVKNMY-OAQYLSRUSA-N 0 0 438.877 5.682 50 0 IKAARN CCCCCC1CCC(C2CCC(COc3ccc(OC(F)(F)Cl)cc3)CC2)CC1 ZINC000006471837 568919860 /nfs/dbraw/zinc/91/98/60/568919860.db2.gz NPHJMZBJAHMXNE-UHFFFAOYSA-N 0 0 443.018 8.426 50 0 IKAARN CCCCc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000001909330 568919866 /nfs/dbraw/zinc/91/98/66/568919866.db2.gz DQAGBSXDQNVUTC-UHFFFAOYSA-N 0 0 441.163 5.572 50 0 IKAARN CCOC(=O)[C@@H](CC)Sc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000001911893 568922313 /nfs/dbraw/zinc/92/23/13/568922313.db2.gz HYGVRHOMOMTKDO-CQSZACIVSA-N 0 0 437.384 5.555 50 0 IKAARN CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252431005 568922854 /nfs/dbraw/zinc/92/28/54/568922854.db2.gz XRPYRCCVSZYAQT-GIJGWQTJSA-N 0 0 428.657 6.893 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC ZINC000001918463 568922855 /nfs/dbraw/zinc/92/28/55/568922855.db2.gz LLGIGECQCPPVOQ-XBXARRHUSA-N 0 0 435.332 5.786 50 0 IKAARN Cc1ccccc1C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252452827 568922951 /nfs/dbraw/zinc/92/29/51/568922951.db2.gz HABSHAZJQFPFKG-UHFFFAOYSA-N 0 0 440.421 5.238 50 0 IKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000035793741 568923041 /nfs/dbraw/zinc/92/30/41/568923041.db2.gz SDJCLBHNJAIOEK-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN COCCNC(=O)c1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000089414691 568923080 /nfs/dbraw/zinc/92/30/80/568923080.db2.gz SCAFDXBDPHTSDC-UHFFFAOYSA-N 0 0 432.911 5.070 50 0 IKAARN CCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C[C@H](C)CC ZINC000035795110 568923197 /nfs/dbraw/zinc/92/31/97/568923197.db2.gz BFBKJFKQPNJMEL-JOCHJYFZSA-N 0 0 442.669 6.122 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1ccc(Cl)cc1 ZINC000001927621 568923510 /nfs/dbraw/zinc/92/35/10/568923510.db2.gz SAYDNGYQPJGPSL-UHFFFAOYSA-N 0 0 431.966 5.976 50 0 IKAARN COc1ccc(Oc2coc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 ZINC000001940964 568923685 /nfs/dbraw/zinc/92/36/85/568923685.db2.gz GZWZEOZHUVWYQP-UHFFFAOYSA-N 0 0 443.282 6.480 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 ZINC000026893459 568923848 /nfs/dbraw/zinc/92/38/48/568923848.db2.gz DYJCSFFJMHHPGV-UHFFFAOYSA-N 0 0 428.713 5.894 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000001986272 568924145 /nfs/dbraw/zinc/92/41/45/568924145.db2.gz GIUZZSWHUWBJFR-PKNBQFBNSA-N 0 0 446.355 6.551 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1-c1ccc(Cl)cc1 ZINC000001974000 568924221 /nfs/dbraw/zinc/92/42/21/568924221.db2.gz TZMWDVPLLGGTLP-UHFFFAOYSA-N 0 0 429.925 5.815 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(Cl)cc1C ZINC000001986317 568924264 /nfs/dbraw/zinc/92/42/64/568924264.db2.gz PNJWQSJWMLUYHU-UHFFFAOYSA-N 0 0 429.925 5.571 50 0 IKAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000016591640 568924382 /nfs/dbraw/zinc/92/43/82/568924382.db2.gz KGFLCLNPMXKFRV-BEFAXECRSA-N 0 0 426.866 5.303 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856812 568924616 /nfs/dbraw/zinc/92/46/16/568924616.db2.gz JZJXLQRTVTVFDE-BVAGGSTKSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN CCOc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@H](C(Cl)(Cl)Cl)O2)cc1 ZINC000000838863 568924638 /nfs/dbraw/zinc/92/46/38/568924638.db2.gz FCBORSFOJOYKLE-LJQANCHMSA-N 0 0 429.727 6.042 50 0 biogenic IKAARN CCOc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@@H](C(Cl)(Cl)Cl)O2)cc1 ZINC000000838860 568924662 /nfs/dbraw/zinc/92/46/62/568924662.db2.gz FCBORSFOJOYKLE-IBGZPJMESA-N 0 0 429.727 6.042 50 0 biogenic IKAARN CC(C)Oc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2)C(=O)c2ccco2)cc1 ZINC000001137035 568924802 /nfs/dbraw/zinc/92/48/02/568924802.db2.gz QUVNBOQYZIQOSS-VWLOTQADSA-N 0 0 443.543 6.524 50 0 biogenic IKAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccc(Cl)cc1 ZINC000001797461 568924971 /nfs/dbraw/zinc/92/49/71/568924971.db2.gz YGKGIZUKTGWINR-UHFFFAOYSA-N 0 0 425.267 6.029 50 0 biogenic IKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000016601999 568925255 /nfs/dbraw/zinc/92/52/55/568925255.db2.gz RWRBITAEELRFCU-UHFFFAOYSA-N 0 0 436.726 5.717 50 0 IKAARN CCCCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(Cl)c1Cl ZINC000016614118 568925949 /nfs/dbraw/zinc/92/59/49/568925949.db2.gz QOYPIBANXRREAN-UHFFFAOYSA-N 0 0 427.332 5.343 50 0 IKAARN COC(=O)c1c2ccccc2oc(=O)c1[C@@H](CC(C)=NNc1ccccc1)c1ccccc1 ZINC000252640580 568926531 /nfs/dbraw/zinc/92/65/31/568926531.db2.gz YUVSMQAOPXBIMJ-QFIPXVFZSA-N 0 0 440.499 5.590 50 0 IKAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)c1 ZINC000089469816 568926579 /nfs/dbraw/zinc/92/65/79/568926579.db2.gz ASXHNJORRXBMER-HNNXBMFYSA-N 0 0 431.311 5.104 50 0 IKAARN Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(Br)cc2)c2cnccc12 ZINC000035844653 568929261 /nfs/dbraw/zinc/92/92/61/568929261.db2.gz ZQEVYQFNTGXZIT-UHFFFAOYSA-N 0 0 446.348 6.294 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C)C2)cc1 ZINC000064452325 568929292 /nfs/dbraw/zinc/92/92/92/568929292.db2.gz DRGLJHBXYQTDAJ-SFHVURJKSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1Cl ZINC000064452517 568929375 /nfs/dbraw/zinc/92/93/75/568929375.db2.gz TUAMYYUFBSIYSA-SFHVURJKSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(Br)cc1 ZINC000064459691 568929433 /nfs/dbraw/zinc/92/94/33/568929433.db2.gz VMCHZWNELAKHCF-LBPRGKRZSA-N 0 0 445.386 5.251 50 0 IKAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)Nc4ccccc4)CC2)n1)CC[C@@H](C)C3 ZINC000035867497 568929838 /nfs/dbraw/zinc/92/98/38/568929838.db2.gz DKZFYTNWIWANSR-QGZVFWFLSA-N 0 0 449.624 5.123 50 0 IKAARN Cc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c(Br)c1 ZINC000064471916 568929886 /nfs/dbraw/zinc/92/98/86/568929886.db2.gz GGCLTJFCWKUCMJ-UHFFFAOYSA-N 0 0 442.332 5.815 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(OCc2ccccc2)cc1)N1CCCC1 ZINC000064471970 568929971 /nfs/dbraw/zinc/92/99/71/568929971.db2.gz SENXRQVHEWUPQV-UHFFFAOYSA-N 0 0 441.506 5.933 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472437 568930030 /nfs/dbraw/zinc/93/00/30/568930030.db2.gz USQQIRSEZITUJN-UHFFFAOYSA-N 0 0 436.536 7.250 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)cc4C)cc3)cn2)c1 ZINC000064474153 568930250 /nfs/dbraw/zinc/93/02/50/568930250.db2.gz OFMUAHCIQZGSGU-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(OC)c(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)c1 ZINC000064474164 568930270 /nfs/dbraw/zinc/93/02/70/568930270.db2.gz WKRKYEQVIUZVEW-UHFFFAOYSA-N 0 0 435.911 5.243 50 0 IKAARN Cc1cccc(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1C ZINC000064473341 568930320 /nfs/dbraw/zinc/93/03/20/568930320.db2.gz KEFADYNBVDOGAR-UHFFFAOYSA-N 0 0 433.943 5.112 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064473303 568930428 /nfs/dbraw/zinc/93/04/28/568930428.db2.gz FTSXEASGPYEWPL-UHFFFAOYSA-N 0 0 437.906 5.024 50 0 IKAARN Nc1ccc(Sc2ccc(Sc3ccc(Sc4ccc(N)cc4)cc3)cc2)cc1 ZINC000002023155 568930687 /nfs/dbraw/zinc/93/06/87/568930687.db2.gz MLMASTURUPRQRF-UHFFFAOYSA-N 0 0 432.639 7.305 50 0 IKAARN CC[C@@H](C)OC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O[C@@H](C)CC)cc3)cc2)cc1 ZINC000002023004 568930694 /nfs/dbraw/zinc/93/06/94/568930694.db2.gz ZHDLGBRRNPINJX-BGYRXZFFSA-N 0 0 430.544 6.931 50 0 IKAARN c1ccc(CSc2ccc(Sc3ccc(SCc4ccccc4)cc3)cc2)cc1 ZINC000002023299 568930766 /nfs/dbraw/zinc/93/07/66/568930766.db2.gz ZWVJPKUWWDTYKA-UHFFFAOYSA-N 0 0 430.663 8.422 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccccc3Cl)CO2)cc1 ZINC000054278155 568931000 /nfs/dbraw/zinc/93/10/00/568931000.db2.gz DYPWRXIISCMQPM-UHFFFAOYSA-N 0 0 433.891 5.474 50 0 biogenic IKAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000035890629 568931018 /nfs/dbraw/zinc/93/10/18/568931018.db2.gz PBCQAKGYCNTXKL-UHFFFAOYSA-N 0 0 443.595 5.294 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1)c1ccccc1 ZINC000035910311 568931349 /nfs/dbraw/zinc/93/13/49/568931349.db2.gz COGMERKBIQVTEV-OZXSUGGESA-N 0 0 430.573 5.906 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1C(F)(F)F ZINC000013100391 568931360 /nfs/dbraw/zinc/93/13/60/568931360.db2.gz VVMVVHHEUBYZSD-UHFFFAOYSA-N 0 0 425.410 5.591 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(CC)CC)[C@@H](C)c2ccccc2)c1 ZINC000035944387 568932345 /nfs/dbraw/zinc/93/23/45/568932345.db2.gz PYJDDULSERJOKW-IBGZPJMESA-N 0 0 438.616 5.420 50 0 IKAARN COc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccc(C)cc32)cc1Cl ZINC000064568460 568933658 /nfs/dbraw/zinc/93/36/58/568933658.db2.gz INMPGOWGBJPHBP-UHFFFAOYSA-N 0 0 427.957 5.138 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 ZINC000064567891 568933704 /nfs/dbraw/zinc/93/37/04/568933704.db2.gz IPTHJIUSRAOIGD-UHFFFAOYSA-N 0 0 439.924 5.478 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)cc1 ZINC000064568559 568933710 /nfs/dbraw/zinc/93/37/10/568933710.db2.gz SBCKDRQWBRCISJ-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)c1 ZINC000064568546 568933763 /nfs/dbraw/zinc/93/37/63/568933763.db2.gz SCYAZFPMFCQUAK-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2cc(-c3cccc(C(=O)NCc4ccccc4C)c3)ncn2)c1 ZINC000064578487 568933927 /nfs/dbraw/zinc/93/39/27/568933927.db2.gz OABIUDWCKMQCGC-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4cccc(OC)c4)c3)ncn2)cc1 ZINC000064578362 568934080 /nfs/dbraw/zinc/93/40/80/568934080.db2.gz NXGFRMKKYSYBJB-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578623 568934122 /nfs/dbraw/zinc/93/41/22/568934122.db2.gz GICOIBUCBYLSJC-UHFFFAOYSA-N 0 0 429.451 5.726 50 0 IKAARN COc1ccc(Br)cc1C1N(c2cccc(C)c2)CCN1c1cccc(C)c1 ZINC000002027274 568934745 /nfs/dbraw/zinc/93/47/45/568934745.db2.gz JFVMVAHMXJKFLV-UHFFFAOYSA-N 0 0 437.381 6.100 50 0 IKAARN COc1cc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)cc(OC)c1OC(F)F ZINC000089556302 568937370 /nfs/dbraw/zinc/93/73/70/568937370.db2.gz XJPMSSNIGGZPSX-UHFFFAOYSA-N 0 0 429.467 5.289 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1Cc1ccccc1Cl ZINC000089577940 568937867 /nfs/dbraw/zinc/93/78/67/568937867.db2.gz PKKDZGWNZDDQRX-UHFFFAOYSA-N 0 0 427.913 5.425 50 0 IKAARN Cc1cc(-c2nnc(CSc3nnc(-c4ccoc4C)n3Cc3ccccc3)o2)c(C)o1 ZINC000089582236 568938357 /nfs/dbraw/zinc/93/83/57/568938357.db2.gz OPGMKPZKMFLLJR-UHFFFAOYSA-N 0 0 447.520 5.447 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1Cl ZINC000064605985 568939803 /nfs/dbraw/zinc/93/98/03/568939803.db2.gz PEEWDLZOPRMDJS-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1 ZINC000064606059 568939819 /nfs/dbraw/zinc/93/98/19/568939819.db2.gz UOQHNSFNIUTCTG-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606067 568939832 /nfs/dbraw/zinc/93/98/32/568939832.db2.gz QGWUGRFQVUPYTN-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1 ZINC000064605891 568939844 /nfs/dbraw/zinc/93/98/44/568939844.db2.gz ZCKGWIHGZOQRQH-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1OC ZINC000064606045 568939847 /nfs/dbraw/zinc/93/98/47/568939847.db2.gz GBSOGPPGLUWIHR-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000013110051 568939881 /nfs/dbraw/zinc/93/98/81/568939881.db2.gz WVYFYHZDEWXHSM-LJQANCHMSA-N 0 0 446.498 5.495 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606033 568939897 /nfs/dbraw/zinc/93/98/97/568939897.db2.gz QUGFLLCWHWDRAE-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)Nc1ccc(Br)cc1F ZINC000064611150 568940013 /nfs/dbraw/zinc/94/00/13/568940013.db2.gz ZSDDRCHSZULNQD-UHFFFAOYSA-N 0 0 425.261 5.547 50 0 IKAARN Cc1oc2c(ccc3c2CN(CCCOC(C)C)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000054333081 568940233 /nfs/dbraw/zinc/94/02/33/568940233.db2.gz MUISIFXHDMBXLS-UHFFFAOYSA-N 0 0 427.928 5.389 50 0 IKAARN O=C1OC(c2ccccc2)=NC1(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000002048920 568940398 /nfs/dbraw/zinc/94/03/98/568940398.db2.gz XVUPUYKXEZKRRG-UHFFFAOYSA-N 0 0 441.530 6.521 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000002058391 568940950 /nfs/dbraw/zinc/94/09/50/568940950.db2.gz ADRHDECJZLDSNU-KGENOOAVSA-N 0 0 433.385 6.463 50 0 IKAARN Cc1ccc(NC[C@@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002059373 568941143 /nfs/dbraw/zinc/94/11/43/568941143.db2.gz QCVMWQPDOJNKIV-HHHXNRCGSA-N 0 0 446.594 7.065 50 0 IKAARN O=c1oc2ccccc2c2c1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c1-2 ZINC000002060637 568941368 /nfs/dbraw/zinc/94/13/68/568941368.db2.gz NEAOPFRUFFXGOI-RUZDIDTESA-N 0 0 444.317 7.435 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 ZINC000064656217 568941987 /nfs/dbraw/zinc/94/19/87/568941987.db2.gz NRBJQRVJWQYDOS-UHFFFAOYSA-N 0 0 430.533 5.325 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064656734 568942172 /nfs/dbraw/zinc/94/21/72/568942172.db2.gz OAULGZHNEWHWMR-IBGZPJMESA-N 0 0 441.574 5.152 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1 ZINC000064656780 568942188 /nfs/dbraw/zinc/94/21/88/568942188.db2.gz AKUBVSYBOJKFRH-ZDUSSCGKSA-N 0 0 435.929 5.156 50 0 IKAARN CC(C)COc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064656673 568942201 /nfs/dbraw/zinc/94/22/01/568942201.db2.gz TYOKTUGBSDGEGV-GOSISDBHSA-N 0 0 441.574 5.090 50 0 IKAARN CC(C)COc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064656670 568942219 /nfs/dbraw/zinc/94/22/19/568942219.db2.gz TYOKTUGBSDGEGV-SFHVURJKSA-N 0 0 441.574 5.090 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(OC(C)C)c2)cc1 ZINC000064656804 568942226 /nfs/dbraw/zinc/94/22/26/568942226.db2.gz YVZDIOQNFKMROX-IBGZPJMESA-N 0 0 441.574 5.151 50 0 IKAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000064656949 568942316 /nfs/dbraw/zinc/94/23/16/568942316.db2.gz XNLUADLGMILAMU-LJQANCHMSA-N 0 0 441.574 5.187 50 0 IKAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000064656944 568942347 /nfs/dbraw/zinc/94/23/47/568942347.db2.gz XNLUADLGMILAMU-IBGZPJMESA-N 0 0 441.574 5.187 50 0 IKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1 ZINC000064656857 568942389 /nfs/dbraw/zinc/94/23/89/568942389.db2.gz RMAGUGKJSGYQCT-QGZVFWFLSA-N 0 0 447.965 5.107 50 0 IKAARN COc1cccc(OC)c1OC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000064666314 568942671 /nfs/dbraw/zinc/94/26/71/568942671.db2.gz LEWFDJYAEWTTBC-UHFFFAOYSA-N 0 0 428.897 5.192 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@@H]2CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000064665028 568942713 /nfs/dbraw/zinc/94/27/13/568942713.db2.gz BDIXDSIZWLURBG-QFIPXVFZSA-N 0 0 438.930 5.262 50 0 IKAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000064665693 568942761 /nfs/dbraw/zinc/94/27/61/568942761.db2.gz ARNWHMAUJFWUTQ-UHFFFAOYSA-N 0 0 429.545 5.299 50 0 IKAARN CCN1c2ccc(-c3noc(COc4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064666799 568942852 /nfs/dbraw/zinc/94/28/52/568942852.db2.gz IIKYPZAREVIBKZ-UHFFFAOYSA-N 0 0 429.501 5.447 50 0 IKAARN CCCN1c2ccc(NC(=O)COc3ccc(F)cc3)cc2Sc2ccccc2C1=O ZINC000064666689 568942881 /nfs/dbraw/zinc/94/28/81/568942881.db2.gz JAABLCINGNIARQ-UHFFFAOYSA-N 0 0 436.508 5.365 50 0 IKAARN Cc1c(S(=O)(=O)N2CCCc3ccccc32)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668067 568943021 /nfs/dbraw/zinc/94/30/21/568943021.db2.gz SNMVJVLXKJZQOY-UHFFFAOYSA-N 0 0 449.601 5.266 50 0 IKAARN Cc1c(S(=O)(=O)Nc2cc(F)ccc2F)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668051 568943044 /nfs/dbraw/zinc/94/30/44/568943044.db2.gz GUHHXIMXYCPXBI-UHFFFAOYSA-N 0 0 445.516 5.203 50 0 IKAARN Cc1c(S(=O)(=O)Nc2ccc(F)cc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668059 568943065 /nfs/dbraw/zinc/94/30/65/568943065.db2.gz DUPNPKJBMGKIAM-UHFFFAOYSA-N 0 0 427.526 5.064 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1 ZINC000064669358 568943219 /nfs/dbraw/zinc/94/32/19/568943219.db2.gz PEOZMOGNFLONKU-UHFFFAOYSA-N 0 0 445.494 6.325 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1 ZINC000064669451 568943283 /nfs/dbraw/zinc/94/32/83/568943283.db2.gz AMTPPKYFTXUVJY-UHFFFAOYSA-N 0 0 429.495 6.625 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669379 568943334 /nfs/dbraw/zinc/94/33/34/568943334.db2.gz TYLDRRFBSGXDAF-UHFFFAOYSA-N 0 0 443.522 6.933 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669437 568943346 /nfs/dbraw/zinc/94/33/46/568943346.db2.gz RQLNMPWVHZJTPX-UHFFFAOYSA-N 0 0 447.554 6.685 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669530 568943381 /nfs/dbraw/zinc/94/33/81/568943381.db2.gz NLNNYHCSSJWXLH-UHFFFAOYSA-N 0 0 443.522 7.015 50 0 IKAARN COc1cc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc(OC)c1 ZINC000064669947 568943395 /nfs/dbraw/zinc/94/33/95/568943395.db2.gz HMDICXSDZDYDOG-UHFFFAOYSA-N 0 0 432.567 5.060 50 0 IKAARN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c1 ZINC000064669950 568943420 /nfs/dbraw/zinc/94/34/20/568943420.db2.gz PGARBGFOKBBPHP-UHFFFAOYSA-N 0 0 444.578 5.219 50 0 IKAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1 ZINC000064669995 568943703 /nfs/dbraw/zinc/94/37/03/568943703.db2.gz JRVGTTIQJAXIOT-UHFFFAOYSA-N 0 0 429.567 5.001 50 0 IKAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)NCc1ccc(F)cc1Cl ZINC000064675598 568943728 /nfs/dbraw/zinc/94/37/28/568943728.db2.gz CXCJOUMNOKVSSC-UHFFFAOYSA-N 0 0 425.866 5.182 50 0 IKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000064675639 568943747 /nfs/dbraw/zinc/94/37/47/568943747.db2.gz DHKUGCLIFKTBRD-UHFFFAOYSA-N 0 0 448.364 5.952 50 0 IKAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)Nc1ccccc1F ZINC000064675760 568943769 /nfs/dbraw/zinc/94/37/69/568943769.db2.gz AVHZNAIMCCOIQA-UHFFFAOYSA-N 0 0 438.300 5.474 50 0 IKAARN CSc1ccc(CNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1 ZINC000064675740 568943870 /nfs/dbraw/zinc/94/38/70/568943870.db2.gz WONBGOJIMYZBLY-UHFFFAOYSA-N 0 0 435.980 5.626 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-c3csc(C4CC4)n3)cc2)CC1 ZINC000064677565 568944023 /nfs/dbraw/zinc/94/40/23/568944023.db2.gz XAFMZBAJZGYGOA-UHFFFAOYSA-N 0 0 437.996 5.612 50 0 IKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O ZINC000064687755 568944180 /nfs/dbraw/zinc/94/41/80/568944180.db2.gz YHRWZAAPYLIJBH-UHFFFAOYSA-N 0 0 447.966 5.411 50 0 IKAARN O=C(NC1CCCCC1)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000064687903 568944182 /nfs/dbraw/zinc/94/41/82/568944182.db2.gz SYBXMLKAQFTZRV-UHFFFAOYSA-N 0 0 425.960 5.235 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)NCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000064687803 568944191 /nfs/dbraw/zinc/94/41/91/568944191.db2.gz ZLNNEWNDJIOVAO-UHFFFAOYSA-N 0 0 447.966 5.411 50 0 IKAARN CC(C)CCn1c(SCC(=O)c2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000064700320 568944373 /nfs/dbraw/zinc/94/43/73/568944373.db2.gz NNNOHPLZOGGGIY-UHFFFAOYSA-N 0 0 441.553 5.166 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)NC(C)C)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036065494 568945334 /nfs/dbraw/zinc/94/53/34/568945334.db2.gz YNOBGMPKILJDRN-UHFFFAOYSA-N 0 0 445.485 5.342 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(F)c2)n1 ZINC000036065691 568945340 /nfs/dbraw/zinc/94/53/40/568945340.db2.gz FUTIMFHAJHGQRG-GOSISDBHSA-N 0 0 448.542 5.068 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065624 568945348 /nfs/dbraw/zinc/94/53/48/568945348.db2.gz YWWNIAIRIWKJDM-HXUWFJFHSA-N 0 0 437.559 5.407 50 0 IKAARN O=C(NCc1ccccc1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1 ZINC000036068657 568945351 /nfs/dbraw/zinc/94/53/51/568945351.db2.gz YONWHGDFMYJSAJ-UHFFFAOYSA-N 0 0 447.485 5.085 50 0 IKAARN CC(C)(C)c1ccc(CN(Cc2nc(C(=O)N3CCCC3)co2)Cc2ccccc2)cc1 ZINC000036073091 568945703 /nfs/dbraw/zinc/94/57/03/568945703.db2.gz CXHJJNPEWDHBTO-UHFFFAOYSA-N 0 0 431.580 5.411 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@@H](C)c2ccccc2)n1 ZINC000036073457 568945841 /nfs/dbraw/zinc/94/58/41/568945841.db2.gz CWTKERSXQYGZCC-IRXDYDNUSA-N 0 0 427.495 5.245 50 0 IKAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(Cl)cc2Cl)[C@H](C)c2ccccc2)n1 ZINC000036073405 568945907 /nfs/dbraw/zinc/94/59/07/568945907.db2.gz VZJHVFLDVHSVDV-MRXNPFEDSA-N 0 0 446.378 5.837 50 0 IKAARN CC(C)CNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072228 568946081 /nfs/dbraw/zinc/94/60/81/568946081.db2.gz USAWAOGQKOWVDL-UHFFFAOYSA-N 0 0 445.485 5.282 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)Cc2ccccc2)cc1 ZINC000036072219 568946090 /nfs/dbraw/zinc/94/60/90/568946090.db2.gz OLKSBRMEVMSBGE-UHFFFAOYSA-N 0 0 443.522 5.255 50 0 IKAARN CC(C)c1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccccc2)cc1 ZINC000036073695 568946318 /nfs/dbraw/zinc/94/63/18/568946318.db2.gz QLGRBUZQBQCOAE-UHFFFAOYSA-N 0 0 443.547 5.523 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2N(C)C1=O ZINC000036076882 568946620 /nfs/dbraw/zinc/94/66/20/568946620.db2.gz DXQMFMPRBFSSHT-SNWYJJICSA-N 0 0 434.605 5.659 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NC2CC2)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000036083095 568947003 /nfs/dbraw/zinc/94/70/03/568947003.db2.gz GGLACTWHTOLVMN-HNNXBMFYSA-N 0 0 444.362 5.637 50 0 IKAARN C[C@H](NC(=O)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1)c1ccccc1 ZINC000036083160 568947050 /nfs/dbraw/zinc/94/70/50/568947050.db2.gz ZMUIRHMYQNTRDF-HNNXBMFYSA-N 0 0 444.362 5.637 50 0 IKAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083680 568947450 /nfs/dbraw/zinc/94/74/50/568947450.db2.gz MYTOWZMKHGCFHC-QFIPXVFZSA-N 0 0 442.943 5.056 50 0 IKAARN O=C(Nc1cccc(Br)c1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747714 568950120 /nfs/dbraw/zinc/95/01/20/568950120.db2.gz WDNVSHQPCHCUCG-MRXNPFEDSA-N 0 0 449.255 5.146 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747706 568950122 /nfs/dbraw/zinc/95/01/22/568950122.db2.gz ALARHXDCCBHBAV-MRXNPFEDSA-N 0 0 449.255 5.146 50 0 IKAARN COc1c2cc(NC(=O)c3cccc(Cl)c3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755712 568951201 /nfs/dbraw/zinc/95/12/01/568951201.db2.gz WILQSGXFGXQFNE-UHFFFAOYSA-N 0 0 438.842 5.739 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(OC)cc3C)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755766 568951349 /nfs/dbraw/zinc/95/13/49/568951349.db2.gz INZGOYAZUOLDMO-UHFFFAOYSA-N 0 0 448.450 5.402 50 0 IKAARN COc1c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755717 568951388 /nfs/dbraw/zinc/95/13/88/568951388.db2.gz RRVCZYDSOQQCTH-UHFFFAOYSA-N 0 0 432.451 5.702 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(C)c(C)c3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755738 568951403 /nfs/dbraw/zinc/95/14/03/568951403.db2.gz VPYFLGDFEGBXFG-UHFFFAOYSA-N 0 0 432.451 5.702 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755755 568951418 /nfs/dbraw/zinc/95/14/18/568951418.db2.gz UTRJHJJBZIGOMR-UHFFFAOYSA-N 0 0 438.842 5.739 50 0 IKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000064758113 568952329 /nfs/dbraw/zinc/95/23/29/568952329.db2.gz VKCCWAUYHQTKEB-UHFFFAOYSA-N 0 0 440.469 5.083 50 0 IKAARN CC(C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006695465 568952451 /nfs/dbraw/zinc/95/24/51/568952451.db2.gz XLRWWUDPWKCEJK-UHFFFAOYSA-N 0 0 425.548 5.071 50 0 IKAARN CCN(CC)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000006695695 568952472 /nfs/dbraw/zinc/95/24/72/568952472.db2.gz VVWDQTICEKESQJ-UHFFFAOYSA-N 0 0 428.646 5.298 50 0 IKAARN CCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000006696178 568952738 /nfs/dbraw/zinc/95/27/38/568952738.db2.gz YBDDLUNTIMFHJU-XMMPIXPASA-N 0 0 437.628 5.670 50 0 IKAARN COCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccs1 ZINC000036104938 568953106 /nfs/dbraw/zinc/95/31/06/568953106.db2.gz IKXHOAAWNLYIKY-UHFFFAOYSA-N 0 0 430.595 5.196 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccs1 ZINC000036104992 568953114 /nfs/dbraw/zinc/95/31/14/568953114.db2.gz GEPVMHXJWVOIGE-KRWDZBQOSA-N 0 0 428.623 6.348 50 0 IKAARN CC(C)CN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)Cc1ccccc1 ZINC000036104920 568953165 /nfs/dbraw/zinc/95/31/65/568953165.db2.gz ZCVOPDJIFBGTML-UHFFFAOYSA-N 0 0 436.621 6.073 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1csc(COc2ccccc2C(C)C)n1)CC(C)C ZINC000036104925 568953199 /nfs/dbraw/zinc/95/31/99/568953199.db2.gz XYURGUCTUHMAAY-UHFFFAOYSA-N 0 0 436.621 6.452 50 0 IKAARN Cc1ccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)CC(C)C)cc1 ZINC000036104909 568953258 /nfs/dbraw/zinc/95/32/58/568953258.db2.gz NYRGYUVUSBRCEC-UHFFFAOYSA-N 0 0 436.621 6.452 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(C)c1 ZINC000036105557 568953317 /nfs/dbraw/zinc/95/33/17/568953317.db2.gz OJGBSQAXGCZYRY-KRWDZBQOSA-N 0 0 428.985 6.125 50 0 IKAARN CC(C)c1csc(-c2ccc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)s2)n1 ZINC000064769480 568953364 /nfs/dbraw/zinc/95/33/64/568953364.db2.gz YDPMBPSMBVYXKM-UHFFFAOYSA-N 0 0 446.541 5.492 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1C ZINC000036105550 568953387 /nfs/dbraw/zinc/95/33/87/568953387.db2.gz DWLUXAVDBXGMSV-KRWDZBQOSA-N 0 0 428.985 6.125 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036105512 568953458 /nfs/dbraw/zinc/95/34/58/568953458.db2.gz DEYJOGJTJVJZIO-MRXNPFEDSA-N 0 0 444.984 5.825 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1F ZINC000036105973 568953478 /nfs/dbraw/zinc/95/34/78/568953478.db2.gz WNDATUNQCHGEED-SFHVURJKSA-N 0 0 440.584 6.227 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(OC)cc1 ZINC000036105750 568953491 /nfs/dbraw/zinc/95/34/91/568953491.db2.gz PFNAOCHYSSVFNC-QGZVFWFLSA-N 0 0 440.565 5.180 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1cccc(OC)c1 ZINC000036105792 568953531 /nfs/dbraw/zinc/95/35/31/568953531.db2.gz GDFUTJPDVBPTDL-QGZVFWFLSA-N 0 0 440.565 5.180 50 0 IKAARN Cc1cc(C)c(C)c(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)cs2)c1 ZINC000036106053 568953538 /nfs/dbraw/zinc/95/35/38/568953538.db2.gz QHBAINAFDIWNQW-UHFFFAOYSA-N 0 0 440.996 6.106 50 0 IKAARN Cc1cc(C)c(C)c(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)cs2)c1 ZINC000036105922 568953598 /nfs/dbraw/zinc/95/35/98/568953598.db2.gz BVHAWNZWRYWCFZ-UHFFFAOYSA-N 0 0 443.012 6.352 50 0 IKAARN COc1ccccc1C(=O)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C1CC1 ZINC000036106065 568953607 /nfs/dbraw/zinc/95/36/07/568953607.db2.gz VTOIGYDHKQRHCL-UHFFFAOYSA-N 0 0 436.577 5.461 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(C)c1 ZINC000036105609 568953615 /nfs/dbraw/zinc/95/36/15/568953615.db2.gz JZLMLTALFKELFU-UHFFFAOYSA-N 0 0 444.984 5.363 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C(C)C)cc1 ZINC000036105908 568953626 /nfs/dbraw/zinc/95/36/26/568953626.db2.gz CNMTYYAEMCERDG-UHFFFAOYSA-N 0 0 438.593 5.707 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc32)cc1 ZINC000036108605 568953751 /nfs/dbraw/zinc/95/37/51/568953751.db2.gz YIZLBRLMQGPHGJ-LVCYWYKZSA-N 0 0 437.609 5.580 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)Cc1ccccc1 ZINC000036106657 568953767 /nfs/dbraw/zinc/95/37/67/568953767.db2.gz PZSOOJUISNIOLC-UHFFFAOYSA-N 0 0 428.985 5.603 50 0 IKAARN CC(C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106679 568953797 /nfs/dbraw/zinc/95/37/97/568953797.db2.gz TUMHQOBDKGWJNX-UHFFFAOYSA-N 0 0 435.376 6.080 50 0 IKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)cc1C ZINC000036106874 568953894 /nfs/dbraw/zinc/95/38/94/568953894.db2.gz XVNURSNBGDRAMR-UHFFFAOYSA-N 0 0 426.557 5.776 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1F ZINC000036106962 568954021 /nfs/dbraw/zinc/95/40/21/568954021.db2.gz JMGJLYDCRMPNBK-SFHVURJKSA-N 0 0 426.557 5.919 50 0 IKAARN O=C(Oc1cccc(C(F)(F)F)c1)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000064774940 568954332 /nfs/dbraw/zinc/95/43/32/568954332.db2.gz BHUQBBWHLIGMFH-UHFFFAOYSA-N 0 0 443.808 5.882 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1C ZINC000064774967 568954386 /nfs/dbraw/zinc/95/43/86/568954386.db2.gz KQBHXRKFATWQEP-UHFFFAOYSA-N 0 0 442.306 5.157 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1Cl ZINC000064775092 568954398 /nfs/dbraw/zinc/95/43/98/568954398.db2.gz IZJFVKJDCCVUCG-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN CCCCc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)cc1 ZINC000064775391 568954501 /nfs/dbraw/zinc/95/45/01/568954501.db2.gz NATKXKFYQFYTSN-UHFFFAOYSA-N 0 0 447.629 7.017 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccs2)C1)Nc1ccc2c(c1)OCCO2 ZINC000064775405 568954513 /nfs/dbraw/zinc/95/45/13/568954513.db2.gz PDODWPIQDYQQRO-UHFFFAOYSA-N 0 0 449.557 5.446 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccs2)C1)Nc1ccc2c(c1)OCO2 ZINC000064775399 568954536 /nfs/dbraw/zinc/95/45/36/568954536.db2.gz XZDKWALTTIINPN-UHFFFAOYSA-N 0 0 435.530 5.403 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccn2)C1)Nc1ccc(Cl)cc1F ZINC000064775457 568954682 /nfs/dbraw/zinc/95/46/82/568954682.db2.gz LRKYHXOUXLNTFW-UHFFFAOYSA-N 0 0 438.915 5.801 50 0 IKAARN Cc1cccc(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)cs2)c1C ZINC000036114142 568955125 /nfs/dbraw/zinc/95/51/25/568955125.db2.gz HKYBATIFOLALMA-UHFFFAOYSA-N 0 0 428.985 6.043 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3ccccc3C)n2)CC(C)C)cc1 ZINC000036115385 568955257 /nfs/dbraw/zinc/95/52/57/568955257.db2.gz ZEVFRBJMVLIBTN-UHFFFAOYSA-N 0 0 444.622 5.186 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115234 568955278 /nfs/dbraw/zinc/95/52/78/568955278.db2.gz VRMWTVAAVPDMFM-UHFFFAOYSA-N 0 0 439.581 5.410 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)C1CCCC1 ZINC000036114959 568955393 /nfs/dbraw/zinc/95/53/93/568955393.db2.gz PTJXSZXRCZKFQC-INIZCTEOSA-N 0 0 432.586 5.057 50 0 IKAARN Cc1cccc(C(=O)N(Cc2csc(COc3cccc4ccccc43)n2)CC(C)C)c1 ZINC000036115033 568955400 /nfs/dbraw/zinc/95/54/00/568955400.db2.gz MUXJVPIKMRHKSH-UHFFFAOYSA-N 0 0 444.600 6.482 50 0 IKAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)Cc1ccccc1 ZINC000036115047 568955438 /nfs/dbraw/zinc/95/54/38/568955438.db2.gz GUORMWKTFAOMMH-UHFFFAOYSA-N 0 0 446.572 5.093 50 0 IKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cccc4ccccc43)n2)C2CC2)cc1 ZINC000036115063 568955444 /nfs/dbraw/zinc/95/54/44/568955444.db2.gz QFJZYQWJCBNENV-UHFFFAOYSA-N 0 0 428.557 5.989 50 0 IKAARN Cc1ccc(NC(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)CC(C)C)cc1 ZINC000036115096 568955448 /nfs/dbraw/zinc/95/54/48/568955448.db2.gz LXUPIFFSMPGFJE-UHFFFAOYSA-N 0 0 444.000 6.374 50 0 IKAARN Cc1ccc(NC(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)C2CC2)cc1 ZINC000036115112 568955450 /nfs/dbraw/zinc/95/54/50/568955450.db2.gz UAHIXQUAJJYESL-UHFFFAOYSA-N 0 0 427.957 5.880 50 0 IKAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116754 568955778 /nfs/dbraw/zinc/95/57/78/568955778.db2.gz AVGTXRLRVXJWED-JPYJTQIMSA-N 0 0 442.625 5.023 50 0 IKAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116757 568955791 /nfs/dbraw/zinc/95/57/91/568955791.db2.gz AVGTXRLRVXJWED-FDDCHVKYSA-N 0 0 442.625 5.023 50 0 IKAARN COc1cccc(-c2csc3ncc(C(=O)Nc4c(C)cccc4C(C)C)c(=O)n23)c1 ZINC000064787966 568956487 /nfs/dbraw/zinc/95/64/87/568956487.db2.gz WWHMEADUAUWBDI-UHFFFAOYSA-N 0 0 433.533 5.116 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3cccc(OC)c3)c[nH]c21 ZINC000006704758 568956957 /nfs/dbraw/zinc/95/69/57/568956957.db2.gz TYFBZPAOOJDPGB-DEOSSOPVSA-N 0 0 427.548 5.015 50 0 IKAARN CCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000006704911 568957113 /nfs/dbraw/zinc/95/71/13/568957113.db2.gz COYJENFHYRBRAA-RUZDIDTESA-N 0 0 426.560 6.185 50 0 IKAARN Cc1cccc(N[C@@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)n1 ZINC000064790096 568957311 /nfs/dbraw/zinc/95/73/11/568957311.db2.gz OBUAFTKVUWQOPI-QFIPXVFZSA-N 0 0 449.601 6.439 50 0 IKAARN Cc1cc(Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791482 568958833 /nfs/dbraw/zinc/95/88/33/568958833.db2.gz WXWYDJIGPGFJGI-UHFFFAOYSA-N 0 0 449.518 5.107 50 0 IKAARN CCCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)c2ccco2)cc1 ZINC000036124587 568958875 /nfs/dbraw/zinc/95/88/75/568958875.db2.gz BLMYJRDBYBSCCJ-UHFFFAOYSA-N 0 0 443.503 5.571 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000036124538 568958886 /nfs/dbraw/zinc/95/88/86/568958886.db2.gz PLEPZJHUGALSGE-UHFFFAOYSA-N 0 0 428.385 5.501 50 0 IKAARN CC(C)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)c1ccco1 ZINC000036124504 568958901 /nfs/dbraw/zinc/95/89/01/568958901.db2.gz RCJVBJUTTSLMDN-UHFFFAOYSA-N 0 0 425.337 5.673 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)CC(C)(C)C)c1 ZINC000006707906 568958928 /nfs/dbraw/zinc/95/89/28/568958928.db2.gz IUOUCKJGMVXXPT-UHFFFAOYSA-N 0 0 437.628 5.702 50 0 IKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cc(Cl)ccc3Cl)n2)C(C)C)cc1 ZINC000036124522 568958936 /nfs/dbraw/zinc/95/89/36/568958936.db2.gz CSVSYBCPDYGYKP-UHFFFAOYSA-N 0 0 449.403 6.388 50 0 IKAARN COc1ccc(CSc2nnc(-c3sc4ncccc4c3N)n2Cc2ccco2)cc1 ZINC000064794465 568959868 /nfs/dbraw/zinc/95/98/68/568959868.db2.gz HRZCWLXEXSSOLZ-UHFFFAOYSA-N 0 0 449.561 5.079 50 0 IKAARN COc1cccc(CSc2nnc(-c3sc4ncccc4c3N)n2Cc2ccco2)c1 ZINC000064794457 568959942 /nfs/dbraw/zinc/95/99/42/568959942.db2.gz TYKSAEWBJBBKNO-UHFFFAOYSA-N 0 0 449.561 5.079 50 0 IKAARN Cc1ccc(CSc2nnc(-c3sc4ncccc4c3N)n2Cc2ccco2)cc1 ZINC000064794455 568959952 /nfs/dbraw/zinc/95/99/52/568959952.db2.gz HHVOKWVUNKQJFA-UHFFFAOYSA-N 0 0 433.562 5.379 50 0 IKAARN CCc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1 ZINC000064798781 568960618 /nfs/dbraw/zinc/96/06/18/568960618.db2.gz PQMCYRULHNVERV-KRWDZBQOSA-N 0 0 431.966 5.271 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)cc1 ZINC000064801387 568960926 /nfs/dbraw/zinc/96/09/26/568960926.db2.gz LYJDODQFMLTJHU-UHFFFAOYSA-N 0 0 430.556 6.226 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)nc(N2CCCC2)n1 ZINC000064801275 568960968 /nfs/dbraw/zinc/96/09/68/568960968.db2.gz NWGMCPPRERIVNB-UHFFFAOYSA-N 0 0 436.947 5.735 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)cc1 ZINC000064801368 568960992 /nfs/dbraw/zinc/96/09/92/568960992.db2.gz XDVSFAVGCVHTAY-UHFFFAOYSA-N 0 0 438.535 6.533 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)n2)cc1 ZINC000064801159 568961018 /nfs/dbraw/zinc/96/10/18/568961018.db2.gz HYYLZBCXDBAAJJ-UHFFFAOYSA-N 0 0 445.473 6.111 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(NC2CCCCC2)n1 ZINC000064801688 568961548 /nfs/dbraw/zinc/96/15/48/568961548.db2.gz FLAYQEMRNXWDAT-UHFFFAOYSA-N 0 0 434.519 6.056 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064801501 568961576 /nfs/dbraw/zinc/96/15/76/568961576.db2.gz LZVIMGAJWPMYMT-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN CCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)c2ccco2)cc1 ZINC000036145397 568961683 /nfs/dbraw/zinc/96/16/83/568961683.db2.gz LOKIQILNHFGTHT-UHFFFAOYSA-N 0 0 429.476 5.181 50 0 IKAARN OC(c1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036145500 568961729 /nfs/dbraw/zinc/96/17/29/568961729.db2.gz VVFBWLQRRFJIOT-RUZDIDTESA-N 0 0 443.543 5.338 50 0 IKAARN COc1ccccc1C(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC(C)C ZINC000036149295 568962746 /nfs/dbraw/zinc/96/27/46/568962746.db2.gz PLNVCOLXDBFJON-UHFFFAOYSA-N 0 0 433.552 5.249 50 0 IKAARN CCC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C ZINC000006722329 568962961 /nfs/dbraw/zinc/96/29/61/568962961.db2.gz LTXZJHANZDLXFH-UHFFFAOYSA-N 0 0 427.564 5.205 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000006722263 568963040 /nfs/dbraw/zinc/96/30/40/568963040.db2.gz CGFFKRBKGRPZFC-HXUWFJFHSA-N 0 0 437.628 5.873 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)CC(C)C)ccc2N(C)C)[C@H](C)C(C)C)c1 ZINC000006722409 568963051 /nfs/dbraw/zinc/96/30/51/568963051.db2.gz QMMFZNXJFPCRCU-OAQYLSRUSA-N 0 0 437.628 5.733 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722180 568963069 /nfs/dbraw/zinc/96/30/69/568963069.db2.gz QJJKTDMFGOZZGV-QGZVFWFLSA-N 0 0 425.548 5.071 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006722075 568963084 /nfs/dbraw/zinc/96/30/84/568963084.db2.gz UTYCCHQKFZQGFH-QGZVFWFLSA-N 0 0 427.564 5.317 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006722760 568963123 /nfs/dbraw/zinc/96/31/23/568963123.db2.gz PFRHSJAQPSSYQB-GOSISDBHSA-N 0 0 430.637 5.236 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006722560 568963131 /nfs/dbraw/zinc/96/31/31/568963131.db2.gz YVFKZVRITQGUAA-GOSISDBHSA-N 0 0 427.564 5.317 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006722424 568963194 /nfs/dbraw/zinc/96/31/94/568963194.db2.gz ZICRRLRPOUOOGN-GOSISDBHSA-N 0 0 427.589 5.407 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)Nc2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000006722707 568963217 /nfs/dbraw/zinc/96/32/17/568963217.db2.gz HOCCLAHJLLKXLV-QGZVFWFLSA-N 0 0 428.552 5.319 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)C1CC1 ZINC000006722476 568963223 /nfs/dbraw/zinc/96/32/23/568963223.db2.gz CINFAERHACWQNJ-LJQANCHMSA-N 0 0 435.612 5.627 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(C)C)c1ccccc1 ZINC000006723046 568963271 /nfs/dbraw/zinc/96/32/71/568963271.db2.gz GMOIRNQBIHQLLB-XMMPIXPASA-N 0 0 437.628 5.668 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C(=O)CC(C)(C)C)C1CCCCC1 ZINC000006723043 568963344 /nfs/dbraw/zinc/96/33/44/568963344.db2.gz DHHZWRKZJDTUER-UHFFFAOYSA-N 0 0 427.633 5.589 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1cccc(C)c1)C(=O)N2Cc1ccccc1 ZINC000036151661 568963363 /nfs/dbraw/zinc/96/33/63/568963363.db2.gz HXBDGDFZAYYEBJ-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722997 568963379 /nfs/dbraw/zinc/96/33/79/568963379.db2.gz RQKPSIKYDNNOMU-KRWDZBQOSA-N 0 0 427.614 5.384 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723088 568963397 /nfs/dbraw/zinc/96/33/97/568963397.db2.gz IRXUPUQASQSWJJ-IBGZPJMESA-N 0 0 429.649 5.691 50 0 IKAARN CC1(C)CN(C(=O)c2cccc(F)c2)[C@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152987 568963748 /nfs/dbraw/zinc/96/37/48/568963748.db2.gz CILCCGIVOKRHIV-SANMLTNESA-N 0 0 446.547 5.193 50 0 IKAARN CCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000006723227 568963823 /nfs/dbraw/zinc/96/38/23/568963823.db2.gz JFZUVUBSLDFTJD-UHFFFAOYSA-N 0 0 429.992 5.443 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723274 568963834 /nfs/dbraw/zinc/96/38/34/568963834.db2.gz RFEXUZGUDSEBGE-SFHVURJKSA-N 0 0 427.589 5.407 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000036151309 568964007 /nfs/dbraw/zinc/96/40/07/568964007.db2.gz HMMPMPZXKAZWSY-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN CCc1ccc(NC(=O)N(CCOC)Cc2c3ccccc3n(C)c2-c2cccs2)cc1 ZINC000064816646 568964214 /nfs/dbraw/zinc/96/42/14/568964214.db2.gz ZSLPWOYROSDOOF-UHFFFAOYSA-N 0 0 447.604 6.150 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2ccc(F)c(Cl)c2)c1-c1cccs1 ZINC000064816664 568964217 /nfs/dbraw/zinc/96/42/17/568964217.db2.gz UYZOOBHKHYRUTQ-UHFFFAOYSA-N 0 0 427.932 6.504 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)c1 ZINC000036151477 568964235 /nfs/dbraw/zinc/96/42/35/568964235.db2.gz ZZRJNIJNOPWHGB-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN CCOc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)cc1OC ZINC000064816511 568964248 /nfs/dbraw/zinc/96/42/48/568964248.db2.gz OYXNPHOQDSSTSO-UHFFFAOYSA-N 0 0 438.524 5.233 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036151473 568964252 /nfs/dbraw/zinc/96/42/52/568964252.db2.gz FXRATAIVCKJWJQ-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000006725032 568964387 /nfs/dbraw/zinc/96/43/87/568964387.db2.gz NDVQGUAEHYXLEZ-SANMLTNESA-N 0 0 425.532 5.330 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c(C)c1 ZINC000064819085 568965823 /nfs/dbraw/zinc/96/58/23/568965823.db2.gz ZJUWYJGQVLZWPU-INIZCTEOSA-N 0 0 428.458 5.121 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819072 568965865 /nfs/dbraw/zinc/96/58/65/568965865.db2.gz BHEYGZKZAIHDKZ-MRXNPFEDSA-N 0 0 428.458 5.066 50 0 IKAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c1C ZINC000064819066 568965866 /nfs/dbraw/zinc/96/58/66/568965866.db2.gz KIEFUZLRJYMDGR-MRXNPFEDSA-N 0 0 428.458 5.121 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819069 568965872 /nfs/dbraw/zinc/96/58/72/568965872.db2.gz YJCKWLYDAUTYCP-INIZCTEOSA-N 0 0 428.458 5.121 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c(C)c1 ZINC000064819088 568966078 /nfs/dbraw/zinc/96/60/78/568966078.db2.gz JITKAEYNEQCKEC-QGZVFWFLSA-N 0 0 442.485 5.429 50 0 IKAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@@]2(SC(C)(C)CN2C(=O)C2CC2)C1=O ZINC000036155688 568966382 /nfs/dbraw/zinc/96/63/82/568966382.db2.gz XOWCRRHVLDXCAF-XMMPIXPASA-N 0 0 440.996 5.112 50 0 IKAARN CC1(C)CN(C(=O)C2CCC2)[C@]2(S1)c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000036155587 568966417 /nfs/dbraw/zinc/96/64/17/568966417.db2.gz RBYFGVZZDZMYCD-DEOSSOPVSA-N 0 0 440.996 5.194 50 0 IKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCc1ccc(Cl)cc1 ZINC000064820082 568966875 /nfs/dbraw/zinc/96/68/75/568966875.db2.gz NPLFVNAHRQYPLG-UHFFFAOYSA-N 0 0 425.735 5.100 50 0 IKAARN Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000064820318 568967054 /nfs/dbraw/zinc/96/70/54/568967054.db2.gz WRUZUJYZCLRDHD-UHFFFAOYSA-N 0 0 449.595 5.038 50 0 IKAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)CC(C)(C)C ZINC000036161272 568967498 /nfs/dbraw/zinc/96/74/98/568967498.db2.gz KPQURODRZHHMSK-UHFFFAOYSA-N 0 0 441.616 5.379 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000036161867 568967757 /nfs/dbraw/zinc/96/77/57/568967757.db2.gz RHZHLRPFYQYITH-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000036161740 568967790 /nfs/dbraw/zinc/96/77/90/568967790.db2.gz SVUSCKMFEAWLEC-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036161799 568967841 /nfs/dbraw/zinc/96/78/41/568967841.db2.gz TXRRIMBJIBOKTK-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)Nc3cccc(C)c3)C2=O)c1 ZINC000036161805 568967865 /nfs/dbraw/zinc/96/78/65/568967865.db2.gz IHZCORSTXLWKEP-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)Nc3cccc(F)c3)C2=O)c1 ZINC000036161811 568967892 /nfs/dbraw/zinc/96/78/92/568967892.db2.gz SRRSCXSBUGQBFM-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000036164485 568968082 /nfs/dbraw/zinc/96/80/82/568968082.db2.gz ALNPKFLDJANRLK-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1ccccc1Cl ZINC000036165060 568968130 /nfs/dbraw/zinc/96/81/30/568968130.db2.gz DOVXNMFNXWVXQF-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@@]3(SCCN3C(=O)c3ccccc3F)C2=O)cc1 ZINC000036164815 568968184 /nfs/dbraw/zinc/96/81/84/568968184.db2.gz REFOUUWTKFKVCX-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccc(F)c1)C(=O)N2Cc1cccc(C)c1 ZINC000036164898 568968239 /nfs/dbraw/zinc/96/82/39/568968239.db2.gz TYBSHDGOGJAUKG-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3[C@@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000036165244 568968250 /nfs/dbraw/zinc/96/82/50/568968250.db2.gz ZVBYQBCDUAOZPM-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN Cc1cccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)C3CCCC3)C2=O)c1 ZINC000036165698 568968358 /nfs/dbraw/zinc/96/83/58/568968358.db2.gz MCZTXRFGLAAPMM-DEOSSOPVSA-N 0 0 440.996 5.114 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000036165630 568968379 /nfs/dbraw/zinc/96/83/79/568968379.db2.gz HFEVUQJTNHYQFF-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000006735374 568968746 /nfs/dbraw/zinc/96/87/46/568968746.db2.gz FKFLJEGTCKEPRA-DEOSSOPVSA-N 0 0 426.557 5.822 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006735681 568968803 /nfs/dbraw/zinc/96/88/03/568968803.db2.gz HWJJRQCPRDPXSO-RUZDIDTESA-N 0 0 426.560 5.620 50 0 IKAARN COc1ccc(Br)cc1CNc1nc(C)nc2c(-c3ccc(C)cc3)noc21 ZINC000064835228 568969457 /nfs/dbraw/zinc/96/94/57/568969457.db2.gz SDFTTWOJZCYFNH-UHFFFAOYSA-N 0 0 439.313 5.285 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1OC ZINC000169617126 568969556 /nfs/dbraw/zinc/96/95/56/568969556.db2.gz SJNMKJOWLUSYHQ-HEHOPBIWSA-N 0 0 428.532 5.696 50 0 IKAARN Cc1cc(C)cc(OCc2nc(CCN(C)C(=O)Nc3cc(Cl)ccc3Cl)no2)c1 ZINC000064840361 568969717 /nfs/dbraw/zinc/96/97/17/568969717.db2.gz IDIQXXJFDLNQFE-UHFFFAOYSA-N 0 0 449.338 5.279 50 0 IKAARN CN(CCc1noc(C2CCCCC2)n1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000064841167 568970054 /nfs/dbraw/zinc/97/00/54/568970054.db2.gz CQJZQPIOPHFEMX-UHFFFAOYSA-N 0 0 431.602 5.028 50 0 IKAARN CCn1c(C(=O)Nc2ccc(Br)cc2C)cc2c1c1ccccc1oc2=O ZINC000064839025 568970256 /nfs/dbraw/zinc/97/02/56/568970256.db2.gz CNZLUGKMCAMFMA-UHFFFAOYSA-N 0 0 425.282 5.091 50 0 IKAARN COc1cccc([C@@H](CNC(=O)CCc2ccccc2)c2c[nH]c3ccccc32)c1OC ZINC000036185263 568970373 /nfs/dbraw/zinc/97/03/73/568970373.db2.gz MSASIEDVXKODBD-HSZRJFAPSA-N 0 0 428.532 5.066 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847818 568971282 /nfs/dbraw/zinc/97/12/82/568971282.db2.gz POGTYMGVNCBGBD-MRXNPFEDSA-N 0 0 429.948 5.176 50 0 IKAARN COc1ccc(CCC(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064848310 568971478 /nfs/dbraw/zinc/97/14/78/568971478.db2.gz XSZWIKWRQQMINU-UHFFFAOYSA-N 0 0 435.955 5.015 50 0 biogenic IKAARN CCN(CC)c1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c(C)c1 ZINC000064845888 568971966 /nfs/dbraw/zinc/97/19/66/568971966.db2.gz DIHKVPYXEWDNDL-UHFFFAOYSA-N 0 0 447.626 5.592 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858509 568972164 /nfs/dbraw/zinc/97/21/64/568972164.db2.gz XMIDICLPRMGQIC-UHFFFAOYSA-N 0 0 445.872 5.707 50 0 biogenic IKAARN OC(c1ccc(CN(Cc2ccccc2F)C2CC2)o1)(c1ccccc1)c1ccccc1 ZINC000036202192 568972437 /nfs/dbraw/zinc/97/24/37/568972437.db2.gz DDSXTQOEUIEJSF-UHFFFAOYSA-N 0 0 427.519 5.868 50 0 IKAARN CCC[C@@H](NC(=O)c1ccc2c(c1)nc(C)c(=O)n2Cc1ccccc1)c1cccs1 ZINC000064859370 568972447 /nfs/dbraw/zinc/97/24/47/568972447.db2.gz OABKEYIWSHIPHV-HXUWFJFHSA-N 0 0 431.561 5.086 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CC(C)C)C(=O)c1ccc(OC)cc1 ZINC000036208112 568973161 /nfs/dbraw/zinc/97/31/61/568973161.db2.gz MCWSHEMKMYQJEK-UHFFFAOYSA-N 0 0 435.568 5.495 50 0 IKAARN Cc1ccc(C)c(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 ZINC000006752559 568973943 /nfs/dbraw/zinc/97/39/43/568973943.db2.gz NAGDMPRLWKTYOO-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 IKAARN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862266 568974136 /nfs/dbraw/zinc/97/41/36/568974136.db2.gz VDJGWYPBTIKMIK-UHFFFAOYSA-N 0 0 441.597 5.016 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 ZINC000006753182 568975381 /nfs/dbraw/zinc/97/53/81/568975381.db2.gz CENNUUAGZAROPQ-NRFANRHFSA-N 0 0 425.532 5.312 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)cc1 ZINC000006753177 568975407 /nfs/dbraw/zinc/97/54/07/568975407.db2.gz AVWMXUJDFQVROP-TZIWHRDSSA-N 0 0 425.532 5.565 50 0 IKAARN COC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)=Nc2ccccc2N1 ZINC000064869655 568976308 /nfs/dbraw/zinc/97/63/08/568976308.db2.gz YVVXFNIMXGGSDK-ZDUSSCGKSA-N 0 0 429.929 5.003 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1cc(C)ccc1C ZINC000064869583 568976353 /nfs/dbraw/zinc/97/63/53/568976353.db2.gz AMDXCOBLVHNLGL-OAQYLSRUSA-N 0 0 437.565 5.356 50 0 IKAARN COC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869632 568976389 /nfs/dbraw/zinc/97/63/89/568976389.db2.gz ZIHFZGHISXREMC-CYBMUJFWSA-N 0 0 429.929 5.003 50 0 IKAARN CCOC(=O)CC1=CC(S[C@@H](CC)C(=O)Nc2ccc(F)cc2)=Nc2ccccc2N1 ZINC000064869827 568976468 /nfs/dbraw/zinc/97/64/68/568976468.db2.gz XLTCESCXHIOPPE-FQEVSTJZSA-N 0 0 441.528 5.269 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)N(CC)c2cccc(C)c2)=Nc2ccccc2N1 ZINC000064869786 568976492 /nfs/dbraw/zinc/97/64/92/568976492.db2.gz LSKRBBWHNWOLST-UHFFFAOYSA-N 0 0 437.565 5.074 50 0 IKAARN COC(=O)CC1=CC(SCC(=O)Nc2ccccc2Cl)=Nc2cc(C)c(C)cc2N1 ZINC000064869950 568976496 /nfs/dbraw/zinc/97/64/96/568976496.db2.gz JFJSIKGWGAHUHI-UHFFFAOYSA-N 0 0 443.956 5.231 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(C)cc2Cl)=Nc2ccccc2N1 ZINC000064869746 568976546 /nfs/dbraw/zinc/97/65/46/568976546.db2.gz BWTRRPRHGLNZGS-UHFFFAOYSA-N 0 0 443.956 5.313 50 0 IKAARN CCOC(=O)CC1=CC(S[C@H](CC)C(=O)Nc2ccc(F)cc2)=Nc2ccccc2N1 ZINC000064869829 568976571 /nfs/dbraw/zinc/97/65/71/568976571.db2.gz XLTCESCXHIOPPE-HXUWFJFHSA-N 0 0 441.528 5.269 50 0 IKAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)Nc2cccc(C)c2C)=Nc2ccccc2N1 ZINC000064869909 568976574 /nfs/dbraw/zinc/97/65/74/568976574.db2.gz WSLALEVWQKMNCF-QGZVFWFLSA-N 0 0 437.565 5.356 50 0 IKAARN CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)c1 ZINC000064872071 568977770 /nfs/dbraw/zinc/97/77/70/568977770.db2.gz KPCPJRHAXZKZOK-UHFFFAOYSA-N 0 0 434.970 5.041 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000064871869 568977916 /nfs/dbraw/zinc/97/79/16/568977916.db2.gz JVGPRRYAGZYWJX-UHFFFAOYSA-N 0 0 441.361 5.132 50 0 IKAARN O=C(Nc1cccc2ccccc21)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064872996 568978108 /nfs/dbraw/zinc/97/81/08/568978108.db2.gz XZBOHYAUTYSPKD-UHFFFAOYSA-N 0 0 426.495 5.291 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064872247 568978460 /nfs/dbraw/zinc/97/84/60/568978460.db2.gz FKIYQALIGHBPKV-UHFFFAOYSA-N 0 0 446.881 7.130 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872343 568978466 /nfs/dbraw/zinc/97/84/66/568978466.db2.gz KYSBRIFOQFYWRY-UHFFFAOYSA-N 0 0 430.426 6.616 50 0 IKAARN Cc1cccc(-c2csc(C(=O)Nc3cccc(Br)c3)c2-n2cccc2)c1 ZINC000064872278 568978480 /nfs/dbraw/zinc/97/84/80/568978480.db2.gz YPGRLLCFGXQEHN-UHFFFAOYSA-N 0 0 437.362 6.529 50 0 IKAARN COc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CCCC3)cc1OC ZINC000006768689 568979845 /nfs/dbraw/zinc/97/98/45/568979845.db2.gz QPMSOZLRNNWAIK-HNNXBMFYSA-N 0 0 425.554 5.318 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)c1ccccc1C ZINC000036245852 568981456 /nfs/dbraw/zinc/98/14/56/568981456.db2.gz DATWMADBEPRHDQ-JOCHJYFZSA-N 0 0 447.579 5.318 50 0 IKAARN CCOc1ccc(N(CCCN2CCOCC2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000036242260 568981514 /nfs/dbraw/zinc/98/15/14/568981514.db2.gz PZHBHMXHEDSFKK-UHFFFAOYSA-N 0 0 441.572 5.208 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)CC(C)(C)C ZINC000036245842 568981527 /nfs/dbraw/zinc/98/15/27/568981527.db2.gz AFKHLPYROXEDGA-HXUWFJFHSA-N 0 0 427.589 5.132 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000036246367 568981637 /nfs/dbraw/zinc/98/16/37/568981637.db2.gz FQEMZLVFYHXIKA-UHFFFAOYSA-N 0 0 426.752 6.042 50 0 IKAARN COc1cc(OC)cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246377 568981751 /nfs/dbraw/zinc/98/17/51/568981751.db2.gz FRFFKWGARAHADA-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1cccc(OC)c1 ZINC000036245935 568981755 /nfs/dbraw/zinc/98/17/55/568981755.db2.gz YZVUSLHNVLXDFC-IBGZPJMESA-N 0 0 435.568 5.636 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246834 568981903 /nfs/dbraw/zinc/98/19/03/568981903.db2.gz AZXKGWOWJZZDHN-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246418 568981910 /nfs/dbraw/zinc/98/19/10/568981910.db2.gz BYJZWKLBTQESKX-UHFFFAOYSA-N 0 0 446.366 5.162 50 0 IKAARN COc1ccc(N([C@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246774 568981976 /nfs/dbraw/zinc/98/19/76/568981976.db2.gz UEPVYCDYZDQCIR-QGZVFWFLSA-N 0 0 429.513 5.108 50 0 IKAARN O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000036246385 568981995 /nfs/dbraw/zinc/98/19/95/568981995.db2.gz UNUHETJKJLTAGE-UHFFFAOYSA-N 0 0 436.758 5.498 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246856 568982063 /nfs/dbraw/zinc/98/20/63/568982063.db2.gz XSDNFZNTFJNWRO-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN Cc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2Cl)cc1F ZINC000036247286 568982263 /nfs/dbraw/zinc/98/22/63/568982263.db2.gz SVMUDQRHLARAEP-UHFFFAOYSA-N 0 0 425.859 5.461 50 0 IKAARN COc1cc(CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2Cl)cc(OC)c1 ZINC000036247393 568982299 /nfs/dbraw/zinc/98/22/99/568982299.db2.gz LEJRUITVTUDUKI-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN Cc1cc(F)ccc1S(=O)(=O)N(Cc1ccccc1)c1ccc(Br)cc1 ZINC000036248115 568982558 /nfs/dbraw/zinc/98/25/58/568982558.db2.gz JVKCGZTUERNQJD-UHFFFAOYSA-N 0 0 434.330 5.292 50 0 IKAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2C)cc1OC ZINC000036248495 568982754 /nfs/dbraw/zinc/98/27/54/568982754.db2.gz NGDSBFFFJOXZSQ-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COCCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1C ZINC000036249027 568983070 /nfs/dbraw/zinc/98/30/70/568983070.db2.gz LKDWLMXMGIKAKY-UHFFFAOYSA-N 0 0 435.568 5.174 50 0 IKAARN COc1cccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C(C)C)c1 ZINC000036249429 568983216 /nfs/dbraw/zinc/98/32/16/568983216.db2.gz TXMMXUVLFPVPEA-UHFFFAOYSA-N 0 0 433.552 5.391 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2cccc(F)c2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248666 568983398 /nfs/dbraw/zinc/98/33/98/568983398.db2.gz YNNYCOWCESCQAZ-MRXNPFEDSA-N 0 0 447.503 5.247 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)ccc1Br ZINC000064896653 568983598 /nfs/dbraw/zinc/98/35/98/568983598.db2.gz VFMHWWCPDSDSBI-UHFFFAOYSA-N 0 0 433.309 5.258 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C(=O)C1CCCC1 ZINC000036249533 568983877 /nfs/dbraw/zinc/98/38/77/568983877.db2.gz HDSLJRKJXOGSHM-UHFFFAOYSA-N 0 0 439.600 5.276 50 0 IKAARN O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000064919388 568985259 /nfs/dbraw/zinc/98/52/59/568985259.db2.gz RGDGSNKIKRGGGD-UHFFFAOYSA-N 0 0 440.522 5.168 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 ZINC000064930160 568987916 /nfs/dbraw/zinc/98/79/16/568987916.db2.gz VEXXQJVCOWJUAP-MRXNPFEDSA-N 0 0 447.347 5.075 50 0 IKAARN Cc1cc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)ccc1Br ZINC000064929375 568988169 /nfs/dbraw/zinc/98/81/69/568988169.db2.gz FXUKBSUICYQBDN-UHFFFAOYSA-N 0 0 437.341 5.211 50 0 IKAARN Cc1ccc(CN2CCN(C(=O)Nc3ccccc3C(F)(F)F)c3cccnc32)cc1 ZINC000064929610 568988342 /nfs/dbraw/zinc/98/83/42/568988342.db2.gz RPPIGVRCLUXDPD-UHFFFAOYSA-N 0 0 426.442 5.468 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930710 568989024 /nfs/dbraw/zinc/98/90/24/568989024.db2.gz HBCYEZBRMLHTLS-QGZVFWFLSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000064930565 568989034 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5.121 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCCc3ccccc3)c2C(=O)[O-])cc1 ZINC000006795533 568990007 /nfs/dbraw/zinc/99/00/07/568990007.db2.gz RJGQVAZZJQKUAU-UHFFFAOYSA-N 0 0 426.560 5.727 50 0 IKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(OCc5ccccc5)cc4)c3N)n2)cc1 ZINC000064948709 568994570 /nfs/dbraw/zinc/99/45/70/568994570.db2.gz LLXBNVGTPLXOAC-UHFFFAOYSA-N 0 0 439.544 5.527 50 0 IKAARN CCCCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccccc4)no3)c(C)c2c1 ZINC000064948601 568994585 /nfs/dbraw/zinc/99/45/85/568994585.db2.gz AWJDKCQSVRPXCD-UHFFFAOYSA-N 0 0 439.537 5.269 50 0 IKAARN Cc1ccccc1-c1csc(-c2nnn(-c3ccc(Oc4ccccc4)cc3)c2N)n1 ZINC000064948785 568994587 /nfs/dbraw/zinc/99/45/87/568994587.db2.gz BXVKASQJAWQYLA-UHFFFAOYSA-N 0 0 425.517 5.741 50 0 IKAARN CC[C@H](O)CN(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000036304710 568994742 /nfs/dbraw/zinc/99/47/42/568994742.db2.gz RTGUELRQILHSAN-QHCPKHFHSA-N 0 0 445.563 5.648 50 0 IKAARN CCOc1ccc(-c2noc(-c3nn(-c4ccc(CC)cc4)c(=O)c4ccccc43)n2)cc1 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CC(C)Oc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955705 568998708 /nfs/dbraw/zinc/99/87/08/568998708.db2.gz AXBJNXIDZCVSIM-UHFFFAOYSA-N 0 0 433.939 5.455 50 0 IKAARN CC[C@H](NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccc(OC)cc1 ZINC000064955671 568998736 /nfs/dbraw/zinc/99/87/36/568998736.db2.gz MVCDXXFMCFGHDV-QHCPKHFHSA-N 0 0 433.939 5.628 50 0 IKAARN O=C(c1cccc(Br)c1)N1CCC[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314438 568998761 /nfs/dbraw/zinc/99/87/61/568998761.db2.gz NXDXBIYRRCUPRZ-SFHVURJKSA-N 0 0 442.275 5.289 50 0 IKAARN CC[C@H](NC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)c1ccc(OC)cc1 ZINC000064956071 568998771 /nfs/dbraw/zinc/99/87/71/568998771.db2.gz FEHCQKQXULVGIL-QHCPKHFHSA-N 0 0 433.939 5.628 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](OCc2ccc(Br)cc2)C1 ZINC000036314967 568999444 /nfs/dbraw/zinc/99/94/44/568999444.db2.gz ZVAPEEXGRFAEBI-INIZCTEOSA-N 0 0 443.168 5.577 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315421 568999664 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5.614 50 0 IKAARN CCCn1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(=O)c2cc(C)ccc21 ZINC000064963706 569000663 /nfs/dbraw/zinc/00/06/63/569000663.db2.gz VMTNCPIFMWITMJ-UHFFFAOYSA-N 0 0 429.398 5.336 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(C)cc3)C2)c1 ZINC000064967223 569001679 /nfs/dbraw/zinc/00/16/79/569001679.db2.gz GXMBJHWNRXJQLQ-UHFFFAOYSA-N 0 0 441.556 6.124 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccccc3C)C2)cc1 ZINC000064967260 569001724 /nfs/dbraw/zinc/00/17/24/569001724.db2.gz GUTUGMNCKMZLAH-UHFFFAOYSA-N 0 0 429.545 5.930 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCCc3ccccc3)C2)cc1 ZINC000064967248 569001760 /nfs/dbraw/zinc/00/17/60/569001760.db2.gz BSGVNSJJOMERIV-UHFFFAOYSA-N 0 0 427.573 5.642 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(C)c3)C2)cc1 ZINC000064967262 569001770 /nfs/dbraw/zinc/00/17/70/569001770.db2.gz ORTSXLPZMBFYFJ-UHFFFAOYSA-N 0 0 429.545 5.930 50 0 IKAARN CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(C)cc2)C1 ZINC000064967232 569001776 /nfs/dbraw/zinc/00/17/76/569001776.db2.gz PWVIVANTNCMYNU-UHFFFAOYSA-N 0 0 443.572 6.320 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000064967180 569001787 /nfs/dbraw/zinc/00/17/87/569001787.db2.gz SOFYANJTDIAECX-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3C)C2)cc1 ZINC000064967349 569001859 /nfs/dbraw/zinc/00/18/59/569001859.db2.gz WEXHSOXGMJTMDV-UHFFFAOYSA-N 0 0 447.535 6.069 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000064967333 569001875 /nfs/dbraw/zinc/00/18/75/569001875.db2.gz VYKNJVWTYCJOIR-UHFFFAOYSA-N 0 0 443.572 5.608 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1)Nc1ccccc1F ZINC000064967365 569001888 /nfs/dbraw/zinc/00/18/88/569001888.db2.gz JBIQUZZPBZKPOJ-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000064967292 569001920 /nfs/dbraw/zinc/00/19/20/569001920.db2.gz RKEWTDSUGIHKER-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 ZINC000064967356 569001948 /nfs/dbraw/zinc/00/19/48/569001948.db2.gz FQTOFRHFZBCNTE-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1)Nc1cccc(F)c1 ZINC000064967366 569001954 /nfs/dbraw/zinc/00/19/54/569001954.db2.gz CYQMDXRRYGHAGL-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)cc1 ZINC000064968500 569001979 /nfs/dbraw/zinc/00/19/79/569001979.db2.gz URCGWXWDKRBPTH-UHFFFAOYSA-N 0 0 434.923 5.789 50 0 IKAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(OC(C)C)cc4)cc3o2)cc1 ZINC000064968459 569076132 /nfs/dbraw/zinc/07/61/32/569076132.db2.gz IXYYKJKGRLDNOP-UHFFFAOYSA-N 0 0 430.504 5.144 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1 ZINC000064972527 569076946 /nfs/dbraw/zinc/07/69/46/569076946.db2.gz VFJNGNSIVKCSII-KRWDZBQOSA-N 0 0 429.545 5.300 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC000064972551 569077048 /nfs/dbraw/zinc/07/70/48/569077048.db2.gz AEADCVSLIDZJQA-QGZVFWFLSA-N 0 0 429.545 5.300 50 0 IKAARN COc1cc2c(C(=O)Oc3cccc(Cl)c3)cn(-c3ccc(C)cc3)c(=O)c2cc1OC ZINC000064977175 569077522 /nfs/dbraw/zinc/07/75/22/569077522.db2.gz MGXZSVZRFOZZOO-UHFFFAOYSA-N 0 0 449.890 5.189 50 0 IKAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)c4ccccc4C(F)(F)F)ccc32)c1 ZINC000064978346 569077856 /nfs/dbraw/zinc/07/78/56/569077856.db2.gz KKGJSPAHKWJHLU-UHFFFAOYSA-N 0 0 438.449 5.147 50 0 IKAARN O=C(COc1ccccc1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CCCC1 ZINC000064979836 569078271 /nfs/dbraw/zinc/07/82/71/569078271.db2.gz OXPODINHGZJYII-UHFFFAOYSA-N 0 0 444.556 5.758 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4cccc(F)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980233 569078347 /nfs/dbraw/zinc/07/83/47/569078347.db2.gz PGJHDIGDHYFQSC-UHFFFAOYSA-N 0 0 431.492 6.064 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980208 569078372 /nfs/dbraw/zinc/07/83/72/569078372.db2.gz RLDUFROHXUSSEN-UHFFFAOYSA-N 0 0 431.492 6.064 50 0 IKAARN CCCN1c2ccc(-c3noc(Cc4ccc(C)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980232 569078380 /nfs/dbraw/zinc/07/83/80/569078380.db2.gz MHEFTJKKTXQVMU-UHFFFAOYSA-N 0 0 441.556 6.157 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccc(OC)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980206 569078384 /nfs/dbraw/zinc/07/83/84/569078384.db2.gz NQAIBDTXQSRCPU-UHFFFAOYSA-N 0 0 443.528 5.934 50 0 IKAARN CCN1c2ccc(-c3noc(/C=C/c4ccc(C)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980150 569078405 /nfs/dbraw/zinc/07/84/05/569078405.db2.gz MDHSCYFSNSADAV-NTCAYCPXSA-N 0 0 439.540 6.347 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4cc(C)cc(C)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980194 569078415 /nfs/dbraw/zinc/07/84/15/569078415.db2.gz RAEJVCSYBSUMMX-UHFFFAOYSA-N 0 0 441.556 6.542 50 0 IKAARN CCN1c2ccc(-c3noc(-c4ccc(C)cc4C)n3)cc2Sc2ccccc2C1=O ZINC000064980156 569078419 /nfs/dbraw/zinc/07/84/19/569078419.db2.gz ZBRWVAHOHRVLTP-UHFFFAOYSA-N 0 0 427.529 6.152 50 0 IKAARN CCCN1c2ccc(-c3noc(Cc4cccc(F)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980219 569078428 /nfs/dbraw/zinc/07/84/28/569078428.db2.gz BKZHNADOMHBHFQ-UHFFFAOYSA-N 0 0 445.519 5.988 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccccc4)n3)ccc2N1C1CCCC1 ZINC000064980314 569078492 /nfs/dbraw/zinc/07/84/92/569078492.db2.gz YZDGNEZFCFIWRU-UHFFFAOYSA-N 0 0 439.540 6.458 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4cccc(Cl)c4)n3)ccc2N1C1CC1 ZINC000064980244 569078503 /nfs/dbraw/zinc/07/85/03/569078503.db2.gz PRBCMLJFYIVXEO-UHFFFAOYSA-N 0 0 445.931 6.331 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccccc4Cl)n3)ccc2N1C1CC1 ZINC000064980272 569078529 /nfs/dbraw/zinc/07/85/29/569078529.db2.gz KQVCQASYIVTUKO-UHFFFAOYSA-N 0 0 445.931 6.331 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4cccs4)n3)ccc2N1C1CCCC1 ZINC000064980289 569078533 /nfs/dbraw/zinc/07/85/33/569078533.db2.gz GJEFHENZRPPZTC-UHFFFAOYSA-N 0 0 445.569 6.519 50 0 IKAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036340960 569079138 /nfs/dbraw/zinc/07/91/38/569079138.db2.gz RMEUIOVDWIYDHT-DEOSSOPVSA-N 0 0 435.930 5.289 50 0 IKAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341152 569079141 /nfs/dbraw/zinc/07/91/41/569079141.db2.gz SPEUIBQAPKGHSK-VWLOTQADSA-N 0 0 447.966 5.158 50 0 IKAARN COc1ccccc1C1=NN(C(=O)CN(C)Cc2ccccc2)[C@@H](c2ccccc2Cl)C1 ZINC000036343941 569079880 /nfs/dbraw/zinc/07/98/80/569079880.db2.gz OVGAFIXEHSNZBW-XMMPIXPASA-N 0 0 447.966 5.158 50 0 IKAARN Cc1cccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343797 569079918 /nfs/dbraw/zinc/07/99/18/569079918.db2.gz HXTBNNBKRHUZOQ-AREMUKBSSA-N 0 0 443.978 5.384 50 0 IKAARN Cc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343815 569079926 /nfs/dbraw/zinc/07/99/26/569079926.db2.gz MOBPMCMDZLCTPU-RUZDIDTESA-N 0 0 431.967 5.458 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344993 569080466 /nfs/dbraw/zinc/08/04/66/569080466.db2.gz JDFKBVDUCHLALL-MHZLTWQESA-N 0 0 425.576 5.422 50 0 IKAARN Cc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCc2ccccc2C1 ZINC000036344893 569080488 /nfs/dbraw/zinc/08/04/88/569080488.db2.gz KJJTWKIUXUJKMQ-SANMLTNESA-N 0 0 443.978 5.384 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(C)cc2C)=NN1C(=O)CN(C)Cc1ccccc1 ZINC000036345344 569080695 /nfs/dbraw/zinc/08/06/95/569080695.db2.gz UUVLNDQEGMBCQK-AREMUKBSSA-N 0 0 441.575 5.122 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)Cc2ccccc2)c(C)c1 ZINC000036345743 569080863 /nfs/dbraw/zinc/08/08/63/569080863.db2.gz YTYFOMBPHYXQLU-SANMLTNESA-N 0 0 429.539 5.252 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COC(C)C)C1CC1 ZINC000036345881 569080877 /nfs/dbraw/zinc/08/08/77/569080877.db2.gz GJPIWIZRVLGGMV-DEOSSOPVSA-N 0 0 449.595 5.032 50 0 IKAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345771 569080896 /nfs/dbraw/zinc/08/08/96/569080896.db2.gz QCBFJZWRPBJDRL-MHZLTWQESA-N 0 0 441.575 5.122 50 0 IKAARN FC(F)(F)c1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347370 569081478 /nfs/dbraw/zinc/08/14/78/569081478.db2.gz QYDBYGXEKLRPLS-NRFANRHFSA-N 0 0 438.415 6.521 50 0 IKAARN FC(F)(F)c1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347493 569081542 /nfs/dbraw/zinc/08/15/42/569081542.db2.gz KREAUFDUBKJXMS-OAQYLSRUSA-N 0 0 439.308 6.809 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c(OC)c1OC ZINC000036347544 569081676 /nfs/dbraw/zinc/08/16/76/569081676.db2.gz CJXWATRXLHKOFU-QFIPXVFZSA-N 0 0 426.944 5.163 50 0 IKAARN Fc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000036347904 569081689 /nfs/dbraw/zinc/08/16/89/569081689.db2.gz UWBBJYGAWQQPKN-MHZLTWQESA-N 0 0 446.953 7.068 50 0 IKAARN CC(C)c1cc(Oc2ccc(F)cc2F)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349482 569081724 /nfs/dbraw/zinc/08/17/24/569081724.db2.gz MVTAWLNCGGSGRW-UHFFFAOYSA-N 0 0 440.437 6.982 50 0 IKAARN CC(C)c1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349481 569081754 /nfs/dbraw/zinc/08/17/54/569081754.db2.gz DMIQEMVALANVRJ-UHFFFAOYSA-N 0 0 438.902 7.357 50 0 IKAARN Fc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000036347903 569081768 /nfs/dbraw/zinc/08/17/68/569081768.db2.gz UWBBJYGAWQQPKN-HHHXNRCGSA-N 0 0 446.953 7.068 50 0 IKAARN Clc1cccc(CN2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347877 569081782 /nfs/dbraw/zinc/08/17/82/569081782.db2.gz UMQIIRGGOJFWIZ-HHHXNRCGSA-N 0 0 428.963 6.929 50 0 IKAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2)c1cccc(Cl)c1 ZINC000064989645 569083042 /nfs/dbraw/zinc/08/30/42/569083042.db2.gz CRLPPZQWWHKRKZ-UHFFFAOYSA-N 0 0 425.315 5.126 50 0 IKAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2)c1ccccc1Cl ZINC000064989683 569083052 /nfs/dbraw/zinc/08/30/52/569083052.db2.gz CYKMJXVLFCUFKP-UHFFFAOYSA-N 0 0 425.315 5.126 50 0 IKAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cc(Cl)ccc1Cl ZINC000064990481 569083304 /nfs/dbraw/zinc/08/33/04/569083304.db2.gz OJCHAWWHBYSXJX-UHFFFAOYSA-N 0 0 440.330 5.518 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990568 569083310 /nfs/dbraw/zinc/08/33/10/569083310.db2.gz KNEWSGWHTXEWAP-INIZCTEOSA-N 0 0 433.939 5.562 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064990526 569083342 /nfs/dbraw/zinc/08/33/42/569083342.db2.gz RDRTXJBHBRGNKA-MRXNPFEDSA-N 0 0 449.938 5.262 50 0 IKAARN CSc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000064990376 569083372 /nfs/dbraw/zinc/08/33/72/569083372.db2.gz SHLZXFOPNLFYKS-UHFFFAOYSA-N 0 0 431.561 5.242 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036352165 569083760 /nfs/dbraw/zinc/08/37/60/569083760.db2.gz IXLFEJRZOYVRRZ-RSXGOPAZSA-N 0 0 432.951 6.761 50 0 IKAARN COc1ccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000036349781 569083803 /nfs/dbraw/zinc/08/38/03/569083803.db2.gz LBUOKBPBMBXQHI-UHFFFAOYSA-N 0 0 434.483 6.712 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000036352227 569083927 /nfs/dbraw/zinc/08/39/27/569083927.db2.gz OPMFUKIIEZRFFM-OZXSUGGESA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000036352228 569083957 /nfs/dbraw/zinc/08/39/57/569083957.db2.gz BYDOMPHLXADNNG-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000036352236 569084098 /nfs/dbraw/zinc/08/40/98/569084098.db2.gz YJZAGXVKNCQZCB-BVAGGSTKSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000036352251 569084100 /nfs/dbraw/zinc/08/41/00/569084100.db2.gz VLHRXUDAKOMLIY-BVAGGSTKSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000036352234 569084104 /nfs/dbraw/zinc/08/41/04/569084104.db2.gz OMRRETJWKNWXNK-VWNXMTODSA-N 0 0 440.877 6.259 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000036352229 569084115 /nfs/dbraw/zinc/08/41/15/569084115.db2.gz LDMWKTXETIJEGU-GGAORHGYSA-N 0 0 426.850 5.869 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)ccc2F)c1 ZINC000006833905 569084312 /nfs/dbraw/zinc/08/43/12/569084312.db2.gz ARUJWFAUGVXPGK-OSPHWJPCSA-N 0 0 428.573 6.068 50 0 IKAARN CC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Nc4c3c(C)nn4-c3ccc(Cl)nn3)o2)cc1 ZINC000036357232 569084488 /nfs/dbraw/zinc/08/44/88/569084488.db2.gz XSEWQRQHYRINAC-MRXNPFEDSA-N 0 0 447.882 5.210 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006836366 569084819 /nfs/dbraw/zinc/08/48/19/569084819.db2.gz ICZKWZVDZODJTM-DFBJGRDBSA-N 0 0 426.560 6.138 50 0 IKAARN Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036358020 569084827 /nfs/dbraw/zinc/08/48/27/569084827.db2.gz VZEYXXIRHMESLQ-HSZRJFAPSA-N 0 0 443.522 5.615 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC ZINC000006838155 569084959 /nfs/dbraw/zinc/08/49/59/569084959.db2.gz FEXZACRANGTKGV-OSPHWJPCSA-N 0 0 426.582 5.629 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(F)cc3)c2C)sc1C(=O)NCc1ccc(C(C)C)cc1 ZINC000064998545 569085234 /nfs/dbraw/zinc/08/52/34/569085234.db2.gz XOLIFPXXWHYFOP-UHFFFAOYSA-N 0 0 449.555 5.200 50 0 IKAARN Cc1ccc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)cc1C ZINC000065000246 569085869 /nfs/dbraw/zinc/08/58/69/569085869.db2.gz RCFMKYFXTOXAIB-UHFFFAOYSA-N 0 0 432.495 5.001 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccccc4Cl)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000457 569085905 /nfs/dbraw/zinc/08/59/05/569085905.db2.gz ZDVQRTSERGAKDP-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN CCc1cccc(NC(=O)c2c(=O)n(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)c1 ZINC000065000927 569086164 /nfs/dbraw/zinc/08/61/64/569086164.db2.gz UUUPSDBDQQVLHE-UHFFFAOYSA-N 0 0 448.950 5.461 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000064999773 569086286 /nfs/dbraw/zinc/08/62/86/569086286.db2.gz MKYDYASRKVRGAA-UHFFFAOYSA-N 0 0 446.981 5.105 50 0 IKAARN COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036360479 569086463 /nfs/dbraw/zinc/08/64/63/569086463.db2.gz LVSHWVYGYMXKCQ-RUZDIDTESA-N 0 0 440.543 5.068 50 0 IKAARN O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036365222 569086808 /nfs/dbraw/zinc/08/68/08/569086808.db2.gz RNBVAGVCFPQNJJ-XMMPIXPASA-N 0 0 444.506 5.617 50 0 IKAARN CCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006115 569087284 /nfs/dbraw/zinc/08/72/84/569087284.db2.gz BGGKLPUHCXQGDX-IBGZPJMESA-N 0 0 447.579 5.208 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2c1OCC(C)C ZINC000065023074 569089086 /nfs/dbraw/zinc/08/90/86/569089086.db2.gz YZIPAWOORHMXGE-UHFFFAOYSA-N 0 0 434.464 5.645 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3sc(C(=O)OC)c(OCC(C)C)c3c2)cc1 ZINC000065023063 569089093 /nfs/dbraw/zinc/08/90/93/569089093.db2.gz VMQZISSVNUQPEM-UHFFFAOYSA-N 0 0 442.537 5.765 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc2sc(C(=O)OC)c(OCC(C)C)c2c1 ZINC000065023062 569089132 /nfs/dbraw/zinc/08/91/32/569089132.db2.gz GERNSYDYWJZBCZ-UHFFFAOYSA-N 0 0 442.537 5.765 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(F)cc1)CC(SCC(=O)NCc1ccco1)=N2 ZINC000065026533 569089829 /nfs/dbraw/zinc/08/98/29/569089829.db2.gz XTRCPLZMPXAODV-UHFFFAOYSA-N 0 0 435.524 5.640 50 0 IKAARN COc1cccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)NC3CCCC3)C2)c1 ZINC000065026610 569089877 /nfs/dbraw/zinc/08/98/77/569089877.db2.gz ZOOUXMGURQWDCQ-UHFFFAOYSA-N 0 0 435.593 5.659 50 0 IKAARN CCCOc1c2cc(NC(=O)Nc3ccc(OCC)cc3)ccc2sc1C(=O)OC ZINC000065022974 569089879 /nfs/dbraw/zinc/08/98/79/569089879.db2.gz KTFDBEYGIRNUDN-UHFFFAOYSA-N 0 0 428.510 5.519 50 0 IKAARN CC[C@@H](C)NC(=O)CSC1=Nc2cc(C)c(C)cc2N=C(c2ccc(Cl)cc2)C1 ZINC000065026567 569089898 /nfs/dbraw/zinc/08/98/98/569089898.db2.gz LMZXYVJAVTUNLK-MRXNPFEDSA-N 0 0 428.001 6.159 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCC4CCCCC4)no3)cc2)cc1 ZINC000065027057 569090125 /nfs/dbraw/zinc/09/01/25/569090125.db2.gz OHQOFHFOKHVNJX-UHFFFAOYSA-N 0 0 447.535 5.124 50 0 IKAARN CCCSCCCNC(=O)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025092 569090358 /nfs/dbraw/zinc/09/03/58/569090358.db2.gz XASFWUNDOXLGHJ-UHFFFAOYSA-N 0 0 426.586 5.020 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025049 569090398 /nfs/dbraw/zinc/09/03/98/569090398.db2.gz YLISYVUEVDWUKR-UHFFFAOYSA-N 0 0 434.927 5.340 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025624 569090725 /nfs/dbraw/zinc/09/07/25/569090725.db2.gz ZEYYQHOGWWSFTA-AREMUKBSSA-N 0 0 434.543 5.563 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)c1 ZINC000065025789 569090803 /nfs/dbraw/zinc/09/08/03/569090803.db2.gz MHHWAHHGWPKYGF-GOSISDBHSA-N 0 0 430.552 5.388 50 0 IKAARN Cc1cc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)ccc1Br ZINC000065029712 569090939 /nfs/dbraw/zinc/09/09/39/569090939.db2.gz GYQCTYQOFZZWHQ-UHFFFAOYSA-N 0 0 443.320 5.689 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000065029743 569090941 /nfs/dbraw/zinc/09/09/41/569090941.db2.gz SQZFHIYKPJTRCK-UHFFFAOYSA-N 0 0 428.895 5.670 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)Nc1cccc(Cl)c1)=N2 ZINC000065026371 569090953 /nfs/dbraw/zinc/09/09/53/569090953.db2.gz ZMMUJMNVZPPHQN-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN COc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)NC3CCCC3)C2)cc1 ZINC000065026489 569090957 /nfs/dbraw/zinc/09/09/57/569090957.db2.gz PIGGUIBNYRYMLW-UHFFFAOYSA-N 0 0 435.593 5.659 50 0 IKAARN Cc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)Nc3ccccc3F)C2)cc1 ZINC000065026428 569090973 /nfs/dbraw/zinc/09/09/73/569090973.db2.gz VVAVNGZBVFBPCI-UHFFFAOYSA-N 0 0 445.563 6.677 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)Nc1ccc(F)cc1)=N2 ZINC000065026401 569090995 /nfs/dbraw/zinc/09/09/95/569090995.db2.gz VWFPCUSWYHMGQO-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN CCc1cccc(NC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)c1 ZINC000065026406 569091012 /nfs/dbraw/zinc/09/10/12/569091012.db2.gz ITQOKGCQFBXHTP-UHFFFAOYSA-N 0 0 441.600 6.792 50 0 IKAARN Cc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)Nc3cccc(C)c3)C2)cc1 ZINC000065026454 569091018 /nfs/dbraw/zinc/09/10/18/569091018.db2.gz QOMJHQGPXAENAK-UHFFFAOYSA-N 0 0 441.600 6.847 50 0 IKAARN O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)N[C@@H]1CCCc2ccccc21 ZINC000006858217 569091126 /nfs/dbraw/zinc/09/11/26/569091126.db2.gz OBPXMYOOJVBCGL-AREMUKBSSA-N 0 0 426.535 5.955 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)cc1OC ZINC000065034188 569091808 /nfs/dbraw/zinc/09/18/08/569091808.db2.gz NFOJCJGXWZHUDP-UHFFFAOYSA-N 0 0 446.478 5.248 50 0 IKAARN COc1ccc(-c2cc(OC)c3cc(NC(=O)c4ccc(OC)cc4OC)ccc3n2)cc1 ZINC000065033873 569091986 /nfs/dbraw/zinc/09/19/86/569091986.db2.gz KLFQLAQBNGZQAG-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc(OC)cc3OC)cc21 ZINC000065033817 569092015 /nfs/dbraw/zinc/09/20/15/569092015.db2.gz QQVRSGNOPCUUQG-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN COc1ccc(Oc2cc(-c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)ncn2)cc1 ZINC000065036634 569092588 /nfs/dbraw/zinc/09/25/88/569092588.db2.gz BROYGSIBVIDWFN-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)ncn1 ZINC000065036669 569092670 /nfs/dbraw/zinc/09/26/70/569092670.db2.gz SFVSMUBFWYIURA-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4ccc(C)cc4C)cc3)ncn2)c1 ZINC000065036693 569092736 /nfs/dbraw/zinc/09/27/36/569092736.db2.gz ACFBAQREPSAZLZ-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)ncn1 ZINC000065036758 569092791 /nfs/dbraw/zinc/09/27/91/569092791.db2.gz OLYUUMXHYYBVKQ-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 ZINC000169759771 569094685 /nfs/dbraw/zinc/09/46/85/569094685.db2.gz FVPCCJYOUBAPBF-XMMPIXPASA-N 0 0 445.906 5.853 50 0 IKAARN COc1cccc(CN(C[C@H]2CC(c3ccccc3Cl)=NO2)C(=O)CC(C)(C)C)c1 ZINC000006871717 569094714 /nfs/dbraw/zinc/09/47/14/569094714.db2.gz QCMZJFBHFJYPQX-LJQANCHMSA-N 0 0 428.960 5.307 50 0 IKAARN O=C(NCc1cccnc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055026 569094812 /nfs/dbraw/zinc/09/48/12/569094812.db2.gz AESMPESSYDYKKP-UHFFFAOYSA-N 0 0 444.510 5.779 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)cn2)cc1 ZINC000065057657 569095216 /nfs/dbraw/zinc/09/52/16/569095216.db2.gz DJFOSIPGAFKPCZ-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)cn2)cc1 ZINC000065057666 569095223 /nfs/dbraw/zinc/09/52/23/569095223.db2.gz VSCBITYQWJVWJK-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)cn2)c1 ZINC000065057798 569095310 /nfs/dbraw/zinc/09/53/10/569095310.db2.gz HHKJZHZLZNLMGY-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1 ZINC000065057849 569095328 /nfs/dbraw/zinc/09/53/28/569095328.db2.gz KGSQCAMYWVPZJB-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN CCc1ccc(NC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)cc1 ZINC000065057747 569095332 /nfs/dbraw/zinc/09/53/32/569095332.db2.gz UCVRHFZXFPHXEP-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)cn2)c1 ZINC000065057961 569095377 /nfs/dbraw/zinc/09/53/77/569095377.db2.gz LXAYNEVXLKRCKJ-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)cn2)c1 ZINC000065057797 569095381 /nfs/dbraw/zinc/09/53/81/569095381.db2.gz HDMHSZITQVMRGM-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 biogenic IKAARN CSc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1 ZINC000065057834 569095389 /nfs/dbraw/zinc/09/53/89/569095389.db2.gz APKIAGRPKOXAPF-UHFFFAOYSA-N 0 0 445.519 5.727 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1Cl ZINC000065058029 569095423 /nfs/dbraw/zinc/09/54/23/569095423.db2.gz VAYMNEYIBQZIFW-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)c1 ZINC000065057986 569095430 /nfs/dbraw/zinc/09/54/30/569095430.db2.gz JYZLVIIJCCOFPF-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN CSc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058035 569095441 /nfs/dbraw/zinc/09/54/41/569095441.db2.gz IQLHVEVYKRNZKV-UHFFFAOYSA-N 0 0 445.519 5.727 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)c(OC)c1 ZINC000065058103 569095445 /nfs/dbraw/zinc/09/54/45/569095445.db2.gz FIFZCEFGBBCHFC-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)cn2)c1 ZINC000065057973 569095456 /nfs/dbraw/zinc/09/54/56/569095456.db2.gz TUQJQMDICYRZFB-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058036 569095464 /nfs/dbraw/zinc/09/54/64/569095464.db2.gz ITWPTLXIUQRUCJ-UHFFFAOYSA-N 0 0 447.897 5.701 50 0 IKAARN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000006878253 569096316 /nfs/dbraw/zinc/09/63/16/569096316.db2.gz JYAGASXYLQOJBJ-UHFFFAOYSA-N 0 0 448.979 6.075 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC000065061092 569096327 /nfs/dbraw/zinc/09/63/27/569096327.db2.gz WTJGYPKNPGMXFS-UHFFFAOYSA-N 0 0 447.510 5.509 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1 ZINC000065061154 569096339 /nfs/dbraw/zinc/09/63/39/569096339.db2.gz XHUBNHKAPGVZHF-UHFFFAOYSA-N 0 0 447.922 5.403 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1 ZINC000065061187 569096415 /nfs/dbraw/zinc/09/64/15/569096415.db2.gz RQBABNFYADZIIK-UHFFFAOYSA-N 0 0 447.966 5.691 50 0 IKAARN CCOc1ccc(CNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1 ZINC000065061183 569096443 /nfs/dbraw/zinc/09/64/43/569096443.db2.gz HWEPAWGDDQGPAN-UHFFFAOYSA-N 0 0 433.939 5.302 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1OC ZINC000065063210 569097679 /nfs/dbraw/zinc/09/76/79/569097679.db2.gz VOENEIYVJVOGQW-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3)n2)c1 ZINC000065063175 569097707 /nfs/dbraw/zinc/09/77/07/569097707.db2.gz MMZUEVXIBHBAIF-VWLOTQADSA-N 0 0 435.527 6.052 50 0 IKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)n2)c1 ZINC000065063174 569097716 /nfs/dbraw/zinc/09/77/16/569097716.db2.gz MMZUEVXIBHBAIF-RUZDIDTESA-N 0 0 435.527 6.052 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(-c4noc(-c5ccccc5)n4)s3)CC2)c1 ZINC000065062999 569097726 /nfs/dbraw/zinc/09/77/26/569097726.db2.gz QNGVYCAXLNOOLY-UHFFFAOYSA-N 0 0 444.560 5.044 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc(-c4noc(-c5ccccc5)n4)s3)C[C@H]2C)c1 ZINC000065063002 569097762 /nfs/dbraw/zinc/09/77/62/569097762.db2.gz ZYYKEKGDKJOREN-GOSISDBHSA-N 0 0 444.560 5.124 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc1 ZINC000065062980 569097766 /nfs/dbraw/zinc/09/77/66/569097766.db2.gz LGNLCRIOWUSDMV-UHFFFAOYSA-N 0 0 447.560 5.882 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)c1 ZINC000065063190 569097768 /nfs/dbraw/zinc/09/77/68/569097768.db2.gz FOFOHZJGVYLJQK-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)cc1 ZINC000065063191 569097790 /nfs/dbraw/zinc/09/77/90/569097790.db2.gz VILSTGJZURTRBF-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Oc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000065063277 569097841 /nfs/dbraw/zinc/09/78/41/569097841.db2.gz XFJQBRTVGZLQCU-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000065063305 569097867 /nfs/dbraw/zinc/09/78/67/569097867.db2.gz FPIJCFPSTDJJBR-UHFFFAOYSA-N 0 0 445.519 5.727 50 0 IKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000065063258 569097874 /nfs/dbraw/zinc/09/78/74/569097874.db2.gz OTJYXQDQXRWHSY-UHFFFAOYSA-N 0 0 429.907 5.828 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063299 569097891 /nfs/dbraw/zinc/09/78/91/569097891.db2.gz LFBMYLBBMFUQIW-XMMPIXPASA-N 0 0 439.490 5.882 50 0 IKAARN COc1cc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)cc(OC)c1 ZINC000065063247 569097901 /nfs/dbraw/zinc/09/79/01/569097901.db2.gz TWOBESLQDRLYHN-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000065063313 569097910 /nfs/dbraw/zinc/09/79/10/569097910.db2.gz BIPMEMYJWAYVFF-UHFFFAOYSA-N 0 0 445.519 5.727 50 0 IKAARN O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000036395200 569098689 /nfs/dbraw/zinc/09/86/89/569098689.db2.gz DDQJMKUZEJHRQX-UHFFFAOYSA-N 0 0 448.881 5.085 50 0 IKAARN Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1cccc(C(C)C)c1 ZINC000065075041 569099388 /nfs/dbraw/zinc/09/93/88/569099388.db2.gz QJEKGNRUYVZDOK-MUUNZHRXSA-N 0 0 426.560 5.396 50 0 IKAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(C(C)C)c2)cc1 ZINC000065074976 569099413 /nfs/dbraw/zinc/09/94/13/569099413.db2.gz ZGKMQIWHWDRIJI-NDEPHWFRSA-N 0 0 442.559 5.097 50 0 IKAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cccc(C(C)C)c2)cc1 ZINC000065074977 569099440 /nfs/dbraw/zinc/09/94/40/569099440.db2.gz ZGKMQIWHWDRIJI-MUUNZHRXSA-N 0 0 442.559 5.097 50 0 IKAARN C[C@@H](Sc1ncnc2c1cnn2C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000036397054 569100122 /nfs/dbraw/zinc/10/01/22/569100122.db2.gz QHCBNYLFJVWPFW-CQSZACIVSA-N 0 0 434.956 5.268 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4cc(Cl)ccc4C)csc3n2)cc1OC ZINC000065079416 569100931 /nfs/dbraw/zinc/10/09/31/569100931.db2.gz NGCKOVNTDKBFFA-UHFFFAOYSA-N 0 0 441.940 5.223 50 0 IKAARN c1sc2nc(CN3CCCCC3)nc(Sc3nnc(C4CC4)o3)c2c1-c1ccccc1 ZINC000036397872 569101018 /nfs/dbraw/zinc/10/10/18/569101018.db2.gz BFYPASWHIGDMBD-UHFFFAOYSA-N 0 0 449.605 5.756 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)sc12 ZINC000065081098 569101178 /nfs/dbraw/zinc/10/11/78/569101178.db2.gz JJZXFJZOKFWKPE-QGZVFWFLSA-N 0 0 449.555 5.093 50 0 IKAARN CCc1ccccc1NC(=O)c1ncoc1-c1ccccc1C(=O)Nc1cccc(F)c1 ZINC000065080205 569101219 /nfs/dbraw/zinc/10/12/19/569101219.db2.gz ZIIWMPPRHUPGRC-UHFFFAOYSA-N 0 0 429.451 5.548 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)c1 ZINC000065080220 569101246 /nfs/dbraw/zinc/10/12/46/569101246.db2.gz BKGAZYWJIGVRRX-UHFFFAOYSA-N 0 0 429.451 5.602 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)c1 ZINC000065080232 569101355 /nfs/dbraw/zinc/10/13/55/569101355.db2.gz PSNSHGLQOVUWBO-UHFFFAOYSA-N 0 0 429.451 5.602 50 0 IKAARN O=C(NCCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772718 569101721 /nfs/dbraw/zinc/10/17/21/569101721.db2.gz LNZMBMZWQSFFEF-VWLOTQADSA-N 0 0 445.607 5.016 50 0 IKAARN CC1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)cc2)CC1 ZINC000065085188 569102725 /nfs/dbraw/zinc/10/27/25/569102725.db2.gz UFNMGGKJCMPMSG-UHFFFAOYSA-N 0 0 440.590 5.070 50 0 IKAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N(Cc1ccco1)C1CCCCC1 ZINC000065085180 569102771 /nfs/dbraw/zinc/10/27/71/569102771.db2.gz PYQLVKJNILTXQJ-UHFFFAOYSA-N 0 0 429.563 5.149 50 0 IKAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000065085199 569102810 /nfs/dbraw/zinc/10/28/10/569102810.db2.gz KLOXLKWHCIHNOB-UHFFFAOYSA-N 0 0 425.453 5.160 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085405 569102914 /nfs/dbraw/zinc/10/29/14/569102914.db2.gz KYPXCEMSANHFGX-UHFFFAOYSA-N 0 0 445.871 5.505 50 0 IKAARN Cc1nnc2c(Oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc3ccccc3n12 ZINC000065096367 569103497 /nfs/dbraw/zinc/10/34/97/569103497.db2.gz ZSGUWGWGNVTIAI-UHFFFAOYSA-N 0 0 429.867 5.284 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccccc2Oc2nc3ccccc3n3cnnc23)cc1 ZINC000065096529 569103545 /nfs/dbraw/zinc/10/35/45/569103545.db2.gz HCVLSKSOKJPURC-UHFFFAOYSA-N 0 0 439.475 5.111 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(N4CCN(c5cc(C)ccc5C)CC4)nc3)n2)cc1 ZINC000065097800 569103933 /nfs/dbraw/zinc/10/39/33/569103933.db2.gz KMXZGNAOEQJLCP-UHFFFAOYSA-N 0 0 425.536 5.050 50 0 IKAARN CCOc1ccc(CCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)cc1OCC ZINC000065097927 569104017 /nfs/dbraw/zinc/10/40/17/569104017.db2.gz NQULQUVZMWGGKM-UHFFFAOYSA-N 0 0 448.498 5.390 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)n2)cc1 ZINC000065097784 569104018 /nfs/dbraw/zinc/10/40/18/569104018.db2.gz HCEZMAZMNHLZBP-UHFFFAOYSA-N 0 0 431.927 5.087 50 0 IKAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097969 569104345 /nfs/dbraw/zinc/10/43/45/569104345.db2.gz RFDXJFLGNHIQOI-MRXNPFEDSA-N 0 0 437.974 5.072 50 0 IKAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098078 569104458 /nfs/dbraw/zinc/10/44/58/569104458.db2.gz DCOFMBDBUDHASI-UHFFFAOYSA-N 0 0 443.525 5.128 50 0 IKAARN Cc1nc(-c2cccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)c2)cs1 ZINC000065098154 569104563 /nfs/dbraw/zinc/10/45/63/569104563.db2.gz YZYGGRRFXYCGQE-IBGZPJMESA-N 0 0 430.533 5.306 50 0 IKAARN O=C1C[C@@H](c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)CN1c1ccccc1 ZINC000065098251 569104696 /nfs/dbraw/zinc/10/46/96/569104696.db2.gz ZOWHSXGXXVJPJK-GOSISDBHSA-N 0 0 428.517 5.258 50 0 IKAARN CSc1cccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)c1 ZINC000065102391 569106037 /nfs/dbraw/zinc/10/60/37/569106037.db2.gz RSEUFMVQBXPQAF-UHFFFAOYSA-N 0 0 434.565 5.154 50 0 IKAARN O=C(Nc1ccc(Cl)cc1F)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102658 569106103 /nfs/dbraw/zinc/10/61/03/569106103.db2.gz QXVNESAKZGRXMN-UHFFFAOYSA-N 0 0 442.947 5.275 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000065102432 569106132 /nfs/dbraw/zinc/10/61/32/569106132.db2.gz BGFKTWJHCLAZPC-UHFFFAOYSA-N 0 0 440.519 5.070 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(Oc3nccnc3Oc3ccc(C)cc3)cc2)cc1 ZINC000065102732 569106186 /nfs/dbraw/zinc/10/61/86/569106186.db2.gz PYOCEDQAMBTHPL-UHFFFAOYSA-N 0 0 441.487 5.308 50 0 biogenic IKAARN Cc1ccc(-c2noc(-c3nn(CC(=O)Nc4cccc(Cl)c4)c4ccccc43)n2)cc1 ZINC000065111259 569106346 /nfs/dbraw/zinc/10/63/46/569106346.db2.gz ZAPGEJKNPFUIRW-UHFFFAOYSA-N 0 0 443.894 5.354 50 0 IKAARN Cc1ccccc1Oc1nccnc1SCC(=O)NCc1ccccc1C(F)(F)F ZINC000065111189 569106349 /nfs/dbraw/zinc/10/63/49/569106349.db2.gz CTOJSRPDLANRSR-UHFFFAOYSA-N 0 0 433.455 5.005 50 0 IKAARN Cc1ccccc1Oc1nccnc1SCC(=O)Nc1ccc(Br)c(F)c1 ZINC000065111194 569106370 /nfs/dbraw/zinc/10/63/70/569106370.db2.gz KPZCDUNBBSNIFC-UHFFFAOYSA-N 0 0 448.317 5.210 50 0 IKAARN Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4cccc(Cl)c4)c4ccccc43)n2)c1 ZINC000065111315 569106415 /nfs/dbraw/zinc/10/64/15/569106415.db2.gz KJIOITHBUZATNS-UHFFFAOYSA-N 0 0 443.894 5.354 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(NC(C)=O)c1 ZINC000065114506 569106522 /nfs/dbraw/zinc/10/65/22/569106522.db2.gz OWDQYORYZQYGIS-FQEVSTJZSA-N 0 0 431.540 5.045 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000065114406 569106614 /nfs/dbraw/zinc/10/66/14/569106614.db2.gz FAIPLEWNTWGGFZ-UHFFFAOYSA-N 0 0 430.430 5.207 50 0 IKAARN CCOc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccccc1 ZINC000065115515 569106880 /nfs/dbraw/zinc/10/68/80/569106880.db2.gz FBYVDBOTOHXNLQ-UHFFFAOYSA-N 0 0 448.544 5.444 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)N(CC)C(=O)c2ccccc2O3)c(C)c1 ZINC000065115712 569106919 /nfs/dbraw/zinc/10/69/19/569106919.db2.gz CYOUMDMYXDZCHS-UHFFFAOYSA-N 0 0 443.547 5.866 50 0 IKAARN COc1ccc(N(Cc2nc(-c3ccc(C)cc3)oc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000065115523 569106920 /nfs/dbraw/zinc/10/69/20/569106920.db2.gz IKCATJSLFIRFFT-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN Cc1ccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c(C)c1 ZINC000006916074 569108665 /nfs/dbraw/zinc/10/86/65/569108665.db2.gz LQXPHBXHAUDEFU-UHFFFAOYSA-N 0 0 427.548 5.859 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000006924737 569110152 /nfs/dbraw/zinc/11/01/52/569110152.db2.gz HXERKKNQAPBTKP-YIXHJXPBSA-N 0 0 449.304 5.918 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3C(F)(F)F)C2)cc1 ZINC000065136244 569110259 /nfs/dbraw/zinc/11/02/59/569110259.db2.gz PPJFRPYFQPOFMP-SFHVURJKSA-N 0 0 447.501 5.354 50 0 IKAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1cccc(C(F)(F)F)c1 ZINC000065136850 569110385 /nfs/dbraw/zinc/11/03/85/569110385.db2.gz WGCGVUFWALADGH-KRWDZBQOSA-N 0 0 433.474 5.046 50 0 IKAARN COc1ccccc1-c1nc([C@@H]2CCCN(C(=O)c3cc(SC)ccc3Cl)C2)no1 ZINC000065149475 569110941 /nfs/dbraw/zinc/11/09/41/569110941.db2.gz KQGOBWQZTLNDSY-CQSZACIVSA-N 0 0 443.956 5.140 50 0 IKAARN CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Cc1cccc(Cl)c1Cl ZINC000036447059 569111233 /nfs/dbraw/zinc/11/12/33/569111233.db2.gz WXJOTDDSLUHGOZ-UHFFFAOYSA-N 0 0 430.360 5.590 50 0 IKAARN O=C(NCc1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153691 569112111 /nfs/dbraw/zinc/11/21/11/569112111.db2.gz SXFXADDPEXNPAD-UHFFFAOYSA-N 0 0 434.421 5.154 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(N3CCCCC3)nc2)n1 ZINC000065165381 569112967 /nfs/dbraw/zinc/11/29/67/569112967.db2.gz CEMWUTOVGJVDJX-UHFFFAOYSA-N 0 0 428.945 5.110 50 0 IKAARN CCCn1c(-c2cccc(C(=O)NCc3ccc(Br)cc3)c2)nc2cccnc21 ZINC000065172849 569113254 /nfs/dbraw/zinc/11/32/54/569113254.db2.gz LWHOVHONUZBPOK-UHFFFAOYSA-N 0 0 449.352 5.201 50 0 IKAARN Cc1cccc(Oc2cc(N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)ncn2)c1C ZINC000065183128 569113718 /nfs/dbraw/zinc/11/37/18/569113718.db2.gz DXOWBPSAGDXZFW-UHFFFAOYSA-N 0 0 438.478 5.019 50 0 IKAARN Cc1cccc(Oc2cc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)ncn2)c1C ZINC000065183129 569113742 /nfs/dbraw/zinc/11/37/42/569113742.db2.gz SJRJAXYIQJRLNR-UHFFFAOYSA-N 0 0 436.943 5.394 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219009 569117343 /nfs/dbraw/zinc/11/73/43/569117343.db2.gz LRLQVEKAZSWIJI-CYBMUJFWSA-N 0 0 439.468 5.019 50 0 IKAARN O=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1ccc(Br)o1 ZINC000065219022 569117396 /nfs/dbraw/zinc/11/73/96/569117396.db2.gz RYJPYICJMXJBQR-UHFFFAOYSA-N 0 0 434.246 5.212 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)cc1 ZINC000007003017 569117540 /nfs/dbraw/zinc/11/75/40/569117540.db2.gz XVOMRMATOFZMBB-UHFFFAOYSA-N 0 0 426.630 5.174 50 0 IKAARN COc1ccc(NC(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)c(OC)c1 ZINC000065240957 569120898 /nfs/dbraw/zinc/12/08/98/569120898.db2.gz XOUKNHHZIYGMPA-UHFFFAOYSA-N 0 0 436.537 5.319 50 0 IKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccn(Cc2cccc(C)c2)n1 ZINC000036615796 569122590 /nfs/dbraw/zinc/12/25/90/569122590.db2.gz GEHNNNZZBRRDDU-UHFFFAOYSA-N 0 0 442.567 5.223 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000036615966 569122658 /nfs/dbraw/zinc/12/26/58/569122658.db2.gz NFNDFAPWQDTKAY-UHFFFAOYSA-N 0 0 443.532 5.216 50 0 IKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000036616847 569122892 /nfs/dbraw/zinc/12/28/92/569122892.db2.gz UAYNEEGHLOMCAJ-UHFFFAOYSA-N 0 0 448.901 5.924 50 0 IKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)c1C ZINC000036616998 569123032 /nfs/dbraw/zinc/12/30/32/569123032.db2.gz CKVROIKFTHOPIF-UHFFFAOYSA-N 0 0 431.437 5.894 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)n1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000036617871 569123074 /nfs/dbraw/zinc/12/30/74/569123074.db2.gz XNJJKNZTHFJFFZ-FQEVSTJZSA-N 0 0 445.350 5.649 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)n1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000036617872 569123199 /nfs/dbraw/zinc/12/31/99/569123199.db2.gz XNJJKNZTHFJFFZ-HXUWFJFHSA-N 0 0 445.350 5.649 50 0 IKAARN Cc1nc(SCC(=O)N[C@H](c2cccs2)c2ccccc2)n(C2CCCC2)c1C ZINC000007030990 569123499 /nfs/dbraw/zinc/12/34/99/569123499.db2.gz SWGRPOOQACLXJJ-QFIPXVFZSA-N 0 0 425.623 5.674 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC(c5ccc(F)cc5)=NO4)cc3)sc2c1 ZINC000036611877 569123626 /nfs/dbraw/zinc/12/36/26/569123626.db2.gz OXUCCEUBUZOZPA-OAQYLSRUSA-N 0 0 431.492 5.543 50 0 IKAARN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000036613776 569123975 /nfs/dbraw/zinc/12/39/75/569123975.db2.gz PLFLNBDZKBCJGW-SFHVURJKSA-N 0 0 426.626 5.693 50 0 IKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)cc3)c12 ZINC000036613836 569123978 /nfs/dbraw/zinc/12/39/78/569123978.db2.gz SUHJYAXDOMAJBF-UHFFFAOYSA-N 0 0 426.245 5.352 50 0 IKAARN COc1ccc(-c2noc(C3(NC(=O)c4ccc(C(C)(C)C)cc4)CCCCC3)n2)cc1 ZINC000065257865 569124157 /nfs/dbraw/zinc/12/41/57/569124157.db2.gz XURHPKFRCMYCKC-UHFFFAOYSA-N 0 0 433.552 5.632 50 0 IKAARN CCN1c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2Sc2ncccc2C1=O ZINC000065258483 569124466 /nfs/dbraw/zinc/12/44/66/569124466.db2.gz QJDXPLUEKFWYOS-UHFFFAOYSA-N 0 0 427.888 5.258 50 0 IKAARN CN1c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Sc2ncccc2C1=O ZINC000065258373 569124490 /nfs/dbraw/zinc/12/44/90/569124490.db2.gz LLLGVEANMWVTFT-UHFFFAOYSA-N 0 0 429.423 5.094 50 0 IKAARN CC(C)N1c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2Sc2ncccc2C1=O ZINC000065258567 569124571 /nfs/dbraw/zinc/12/45/71/569124571.db2.gz YFBTZCRTVZBNDM-UHFFFAOYSA-N 0 0 425.460 5.132 50 0 IKAARN COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccc(OC(F)F)cc4C)c32)cc1 ZINC000036619236 569124688 /nfs/dbraw/zinc/12/46/88/569124688.db2.gz YMQQFVMZNNCXSA-UHFFFAOYSA-N 0 0 439.418 5.369 50 0 IKAARN c1csc(Cc2nnc(SCc3ncc(-c4ccccc4)o3)n2C2CCCCC2)c1 ZINC000013117034 569125121 /nfs/dbraw/zinc/12/51/21/569125121.db2.gz DEJCKFCWPITBSL-UHFFFAOYSA-N 0 0 436.606 6.383 50 0 IKAARN Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccccc3)Cc3ccccc3)c(Cl)cc12 ZINC000013128976 569125257 /nfs/dbraw/zinc/12/52/57/569125257.db2.gz UGPWGLXOEPDXOY-UHFFFAOYSA-N 0 0 447.918 5.363 50 0 IKAARN C[C@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1nc2ccccc2c(=O)[nH]1 ZINC000013128710 569125284 /nfs/dbraw/zinc/12/52/84/569125284.db2.gz DIWOUGLOSQAURD-INIZCTEOSA-N 0 0 431.565 5.405 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 ZINC000013129875 569125425 /nfs/dbraw/zinc/12/54/25/569125425.db2.gz VYXGROTVUWOMFY-UHFFFAOYSA-N 0 0 445.544 5.317 50 0 IKAARN O=C(COc1ncnc2sc3c(c21)CCCC3)N(Cc1ccccc1)Cc1ccccc1 ZINC000013131977 569125426 /nfs/dbraw/zinc/12/54/26/569125426.db2.gz LTJCUXYCGHXWJS-UHFFFAOYSA-N 0 0 443.572 5.178 50 0 IKAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)cc1OC ZINC000013134020 569125537 /nfs/dbraw/zinc/12/55/37/569125537.db2.gz ICBOLYYWROHHST-HSZRJFAPSA-N 0 0 438.527 5.726 50 0 IKAARN CCOC(=O)c1sc2[nH]c([C@H](C)Sc3cc(C)c4ccccc4n3)nc(=O)c2c1C ZINC000013141534 569125659 /nfs/dbraw/zinc/12/56/59/569125659.db2.gz QNNNUFLIOLAZEB-ZDUSSCGKSA-N 0 0 439.562 5.180 50 0 IKAARN Cc1cc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)ccc1Br ZINC000013138204 569125670 /nfs/dbraw/zinc/12/56/70/569125670.db2.gz XPHHOAXBRXXLLB-UHFFFAOYSA-N 0 0 438.321 5.071 50 0 IKAARN CCc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621666 569126418 /nfs/dbraw/zinc/12/64/18/569126418.db2.gz QSMJNANLBAWFSC-INIZCTEOSA-N 0 0 428.511 5.490 50 0 IKAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000065297658 569131847 /nfs/dbraw/zinc/13/18/47/569131847.db2.gz FADMJDDAFAXZQJ-UHFFFAOYSA-N 0 0 435.471 5.543 50 0 IKAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)Nc4cccc(C)c4C)CC3)c12 ZINC000065301559 569132813 /nfs/dbraw/zinc/13/28/13/569132813.db2.gz OGVFBHVKCGMXOV-UHFFFAOYSA-N 0 0 434.609 5.739 50 0 IKAARN O=C(COC(=O)c1ccc(SCc2cscn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000036694449 569133818 /nfs/dbraw/zinc/13/38/18/569133818.db2.gz QRWVCKBMPZJMAG-UHFFFAOYSA-N 0 0 437.464 5.494 50 0 IKAARN CSc1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)c1 ZINC000065315346 569133990 /nfs/dbraw/zinc/13/39/90/569133990.db2.gz JDTOFTGVSSEAQT-GOSISDBHSA-N 0 0 434.565 5.154 50 0 IKAARN COc1ccc(-c2nc3sc4cc(C)ccc4n3c2NCCCOC(C)C)cc1O ZINC000065319308 569134757 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438.936 5.782 50 0 IKAARN Cc1sc2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000009910632 569150505 /nfs/dbraw/zinc/15/05/05/569150505.db2.gz PEBHBEBEHINJLA-ZBFHGGJFSA-N 0 0 429.611 5.014 50 0 IKAARN O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000009910973 569150551 /nfs/dbraw/zinc/15/05/51/569150551.db2.gz CHHBWXSASBWMBI-UHFFFAOYSA-N 0 0 427.957 5.780 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCCC3)c1 ZINC000071284744 569150769 /nfs/dbraw/zinc/15/07/69/569150769.db2.gz CWTCFINBUZGNPC-XMMPIXPASA-N 0 0 447.579 5.182 50 0 IKAARN COc1cc(C=C2SC(=O)N=C2Nc2ccccc2)ccc1OCc1c(C)noc1C ZINC000071287943 569150875 /nfs/dbraw/zinc/15/08/75/569150875.db2.gz HHQASCKLUFUAOE-MTJSOVHGSA-N 0 0 435.505 5.597 50 0 IKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 ZINC000071288425 569151027 /nfs/dbraw/zinc/15/10/27/569151027.db2.gz CYHSNYICSNZZRB-MHECFPHRSA-N 0 0 447.579 5.325 50 0 IKAARN COc1cc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)ccc1O ZINC000010000538 569151424 /nfs/dbraw/zinc/15/14/24/569151424.db2.gz BYMWCJSHGYYIDW-NHFJDJAPSA-N 0 0 440.524 6.478 50 0 IKAARN CC(=O)c1ccccc1OCCSc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009996161 569151435 /nfs/dbraw/zinc/15/14/35/569151435.db2.gz SSLQOKISOYRFSP-UHFFFAOYSA-N 0 0 428.560 5.087 50 0 IKAARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000010025357 569151580 /nfs/dbraw/zinc/15/15/80/569151580.db2.gz GWQWWCUYBUNNON-AWEZNQCLSA-N 0 0 428.941 5.131 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1C ZINC000010026883 569151702 /nfs/dbraw/zinc/15/17/02/569151702.db2.gz HOWPUDZSXJYTLP-QGZVFWFLSA-N 0 0 429.545 5.808 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1nnc2ccccn21)c1ccccc1 ZINC000010028523 569151785 /nfs/dbraw/zinc/15/17/85/569151785.db2.gz ZCVFSTGFEMWXLH-SFHVURJKSA-N 0 0 429.332 5.508 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000010059091 569152036 /nfs/dbraw/zinc/15/20/36/569152036.db2.gz MDKCWVKTUXYGNO-AREMUKBSSA-N 0 0 433.935 5.471 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)s1 ZINC000010059179 569152077 /nfs/dbraw/zinc/15/20/77/569152077.db2.gz OUNFAZUNNPFPQD-NRFANRHFSA-N 0 0 432.328 5.062 50 0 IKAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000010059096 569152079 /nfs/dbraw/zinc/15/20/79/569152079.db2.gz JOBPUNVYISLZDU-HHHXNRCGSA-N 0 0 447.962 5.779 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000010059090 569152086 /nfs/dbraw/zinc/15/20/86/569152086.db2.gz MDKCWVKTUXYGNO-SANMLTNESA-N 0 0 433.935 5.471 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1C ZINC000010059201 569152137 /nfs/dbraw/zinc/15/21/37/569152137.db2.gz XVRXNTRPRUJKJN-MHZLTWQESA-N 0 0 447.962 5.315 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000010059360 569152142 /nfs/dbraw/zinc/15/21/42/569152142.db2.gz RNBKZGDEDFSTIK-ASSNKEHSSA-N 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ZINC000010218501 569153481 /nfs/dbraw/zinc/15/34/81/569153481.db2.gz PJUCLVLBVYZGOW-UHFFFAOYSA-N 0 0 440.999 5.026 50 0 IKAARN CCOc1cccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)nc21 ZINC000010254386 569154176 /nfs/dbraw/zinc/15/41/76/569154176.db2.gz KUEIZKAEDJCGBI-UHFFFAOYSA-N 0 0 449.601 5.588 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000013320403 569154940 /nfs/dbraw/zinc/15/49/40/569154940.db2.gz ZACDAFNUYOVNSR-UHFFFAOYSA-N 0 0 432.273 5.362 50 0 IKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000013330378 569155114 /nfs/dbraw/zinc/15/51/14/569155114.db2.gz WZDBSDRXHLXFCD-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000013330366 569155159 /nfs/dbraw/zinc/15/51/59/569155159.db2.gz NXQMUOBAQOMWKP-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN Cc1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)nn1Cc1ccc(Cl)cc1 ZINC000013330356 569155131 /nfs/dbraw/zinc/15/51/31/569155131.db2.gz MSJOYYUPFNFNMI-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 ZINC000013330384 569155133 /nfs/dbraw/zinc/15/51/33/569155133.db2.gz MLQCOKWRKGPWQA-UHFFFAOYSA-N 0 0 428.842 5.259 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324960 569155148 /nfs/dbraw/zinc/15/51/48/569155148.db2.gz VVWWOEADOKRMDE-UHFFFAOYSA-N 0 0 438.302 5.423 50 0 IKAARN Cc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C[C@@H]2CCCO2)cs1 ZINC000013330631 569155165 /nfs/dbraw/zinc/15/51/65/569155165.db2.gz LVRCICKJUBAQHF-KRWDZBQOSA-N 0 0 439.528 5.805 50 0 IKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000013330380 569155184 /nfs/dbraw/zinc/15/51/84/569155184.db2.gz UKMXSPMUFBCXQU-UHFFFAOYSA-N 0 0 446.832 5.398 50 0 IKAARN Cc1ccc(Cl)cc1NC(=S)Nc1nn(Cc2ccccc2Cl)cc1Cl ZINC000013330842 569155194 /nfs/dbraw/zinc/15/51/94/569155194.db2.gz WNKUTAQDKWAGHA-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccc(Br)cc1 ZINC000013331510 569155215 /nfs/dbraw/zinc/15/52/15/569155215.db2.gz HGEKJNZHHRHIGG-UHFFFAOYSA-N 0 0 433.737 5.608 50 0 IKAARN C[C@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013579167 569156136 /nfs/dbraw/zinc/15/61/36/569156136.db2.gz IIOAHCKQGJYWKY-MSOLQXFVSA-N 0 0 447.629 5.954 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013745402 569156901 /nfs/dbraw/zinc/15/69/01/569156901.db2.gz DQTVZMGQDRITGC-UHFFFAOYSA-N 0 0 443.172 5.106 50 0 IKAARN CCCCc1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1 ZINC000013746017 569156905 /nfs/dbraw/zinc/15/69/05/569156905.db2.gz MEOQSEFTQHVZNU-UHFFFAOYSA-N 0 0 430.371 6.559 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccccc1 ZINC000014055487 569157721 /nfs/dbraw/zinc/15/77/21/569157721.db2.gz ANZXEMWLGHRIQO-HXUWFJFHSA-N 0 0 439.544 5.652 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(-c3nnco3)cc1)oc1ccccc12 ZINC000014354363 569158603 /nfs/dbraw/zinc/15/86/03/569158603.db2.gz QHSOGLYEOGTXNE-CQSZACIVSA-N 0 0 429.432 5.051 50 0 IKAARN O=C(CCCc1nc2ccccc2s1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000014419677 569158963 /nfs/dbraw/zinc/15/89/63/569158963.db2.gz NSDSAXRTPZWVCO-UHFFFAOYSA-N 0 0 448.588 5.244 50 0 IKAARN CC(=O)c1ccc(OC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 ZINC000014463893 569159106 /nfs/dbraw/zinc/15/91/06/569159106.db2.gz AMDZXCBRMGUAOU-QPPBQGQZSA-N 0 0 433.529 5.349 50 0 IKAARN O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2cccs2)c(-c2cccs2)s1 ZINC000014625038 569159545 /nfs/dbraw/zinc/15/95/45/569159545.db2.gz PGISRMMQHAIDDO-UHFFFAOYSA-N 0 0 439.543 5.147 50 0 IKAARN Cc1ccc(NC(=O)CS[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000089634996 569160062 /nfs/dbraw/zinc/16/00/62/569160062.db2.gz PGVFCEJVJLPVPI-HNNXBMFYSA-N 0 0 435.574 5.393 50 0 IKAARN Cc1ccc(NC(=O)CS[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000089635000 569160123 /nfs/dbraw/zinc/16/01/23/569160123.db2.gz PGVFCEJVJLPVPI-OAHLLOKOSA-N 0 0 435.574 5.393 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1C ZINC000089643250 569160373 /nfs/dbraw/zinc/16/03/73/569160373.db2.gz VXPHVWYAVPJBGS-UHFFFAOYSA-N 0 0 429.925 5.001 50 0 IKAARN CC(=O)c1sc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)nc1-c1ccccc1 ZINC000014658344 569160816 /nfs/dbraw/zinc/16/08/16/569160816.db2.gz YPDLDYJWSUIPKN-UHFFFAOYSA-N 0 0 426.712 5.620 50 0 IKAARN O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(F)cc1F ZINC000016841064 569163271 /nfs/dbraw/zinc/16/32/71/569163271.db2.gz VWYCDLYEDSVYGA-UHFFFAOYSA-N 0 0 425.254 5.113 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662160 569160944 /nfs/dbraw/zinc/16/09/44/569160944.db2.gz NYMNHIOZXYHXJA-RTBURBONSA-N 0 0 446.979 5.144 50 0 IKAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000089669313 569160950 /nfs/dbraw/zinc/16/09/50/569160950.db2.gz KNKVAJXABOLFAT-QHCPKHFHSA-N 0 0 426.545 5.607 50 0 IKAARN COc1cccc(C2=NN(C(=O)C(C)(C)C)[C@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000089689012 569161364 /nfs/dbraw/zinc/16/13/64/569161364.db2.gz ZXCBNPXJYJMPGS-NRFANRHFSA-N 0 0 435.955 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/nfs/dbraw/zinc/16/32/58/569163258.db2.gz GKBBCUAYJGSSQS-UHFFFAOYSA-N 0 0 429.973 5.880 50 0 IKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccccc3)no2)cc1 ZINC000016842957 569163458 /nfs/dbraw/zinc/16/34/58/569163458.db2.gz SFNRUOHBHHKAHT-UHFFFAOYSA-N 0 0 432.530 5.098 50 0 IKAARN COc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 ZINC000016842579 569163497 /nfs/dbraw/zinc/16/34/97/569163497.db2.gz RLFWECQDPAKMMI-UHFFFAOYSA-N 0 0 426.339 5.460 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000016842449 569163503 /nfs/dbraw/zinc/16/35/03/569163503.db2.gz SDPSTDNNXLCLAR-UHFFFAOYSA-N 0 0 443.290 5.203 50 0 IKAARN COc1cccc(CSc2nc3c4cccnc4sc3c(=O)n2Cc2ccccc2)c1 ZINC000016844454 569163824 /nfs/dbraw/zinc/16/38/24/569163824.db2.gz CZJXSPCOKHLIGM-UHFFFAOYSA-N 0 0 445.569 5.355 50 0 IKAARN Cc1ccc2nc(NC(=O)CCc3csc(NC(=O)Nc4ccccc4)n3)sc2c1 ZINC000016849060 569164525 /nfs/dbraw/zinc/16/45/25/569164525.db2.gz RWAVYQGMEKZXKQ-UHFFFAOYSA-N 0 0 437.550 5.277 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)N(Cc1ccccc1)Cc1ccccc1 ZINC000089832624 569165291 /nfs/dbraw/zinc/16/52/91/569165291.db2.gz TZCDCTWXILOVQC-UHFFFAOYSA-N 0 0 444.585 5.265 50 0 IKAARN CN1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2-c2nc3ccccc3s2)C1 ZINC000016916150 569166166 /nfs/dbraw/zinc/16/61/66/569166166.db2.gz QAGAXSDPXGZNAE-UHFFFAOYSA-N 0 0 446.022 5.980 50 0 IKAARN C[C@@H](NC(=O)CCC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1 ZINC000089905511 569167157 /nfs/dbraw/zinc/16/71/57/569167157.db2.gz XOQIBEZUWPDJNL-WIYYLYMNSA-N 0 0 447.604 5.036 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)NCCc1ccccc1 ZINC000016977326 569168815 /nfs/dbraw/zinc/16/88/15/569168815.db2.gz KTYDNZIOCAEKGG-UHFFFAOYSA-N 0 0 435.568 5.370 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(Cl)cc1 ZINC000016977337 569168956 /nfs/dbraw/zinc/16/89/56/569168956.db2.gz BXBICJHTZJKCDQ-UHFFFAOYSA-N 0 0 441.959 6.304 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)N2CCCCCC2)nn1 ZINC000016992291 569169497 /nfs/dbraw/zinc/16/94/97/569169497.db2.gz GZVHQFNRCAMVFI-UHFFFAOYSA-N 0 0 430.624 5.132 50 0 IKAARN COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C3CCCC3)c(C)o2)cc1 ZINC000016991582 569169532 /nfs/dbraw/zinc/16/95/32/569169532.db2.gz BVLLEVRCNAXAPE-UHFFFAOYSA-N 0 0 447.560 5.776 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 ZINC000016992252 569169566 /nfs/dbraw/zinc/16/95/66/569169566.db2.gz UVZYAOMVQZTMKR-UHFFFAOYSA-N 0 0 428.542 6.043 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2ccc(F)cc2)nn1 ZINC000016992356 569169578 /nfs/dbraw/zinc/16/95/78/569169578.db2.gz BTGRLXITJNCBQW-UHFFFAOYSA-N 0 0 442.566 5.507 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000016994275 569169854 /nfs/dbraw/zinc/16/98/54/569169854.db2.gz ASPYRRXOWUHOGT-UHFFFAOYSA-N 0 0 435.014 5.218 50 0 IKAARN Cc1cc(C)cc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2Cl)c1 ZINC000017011017 569170299 /nfs/dbraw/zinc/17/02/99/569170299.db2.gz ADLKKILNULRJIO-UHFFFAOYSA-N 0 0 445.975 6.430 50 0 IKAARN Cc1cc(C)cc(-n2c(S[C@H](C)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)c1 ZINC000017010965 569170335 /nfs/dbraw/zinc/17/03/35/569170335.db2.gz DSFXIJXNUHLWSM-GOSISDBHSA-N 0 0 425.557 6.337 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cc(C)cc(C)c1 ZINC000017010777 569170349 /nfs/dbraw/zinc/17/03/49/569170349.db2.gz YYNFUCAHERZHPJ-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN CCCC(=O)Nc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c(C(C)=O)c1 ZINC000014734979 569170497 /nfs/dbraw/zinc/17/04/97/569170497.db2.gz ZOWKYZHNYXOJRH-QGZVFWFLSA-N 0 0 432.520 5.037 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1 ZINC000017013371 569170804 /nfs/dbraw/zinc/17/08/04/569170804.db2.gz WZDNTNATZGRMCV-UHFFFAOYSA-N 0 0 425.492 5.533 50 0 IKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000017013380 569170863 /nfs/dbraw/zinc/17/08/63/569170863.db2.gz USAVFUPKQLBRSI-UHFFFAOYSA-N 0 0 449.558 6.048 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000017025789 569171000 /nfs/dbraw/zinc/17/10/00/569171000.db2.gz ZIVBGRGBONFQJH-IBGZPJMESA-N 0 0 439.972 5.198 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccccn1)C(=S)Nc1cc(C)ccc1C ZINC000017026436 569171091 /nfs/dbraw/zinc/17/10/91/569171091.db2.gz KTHLQBIYBKOWMU-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017041003 569171485 /nfs/dbraw/zinc/17/14/85/569171485.db2.gz CGGGLIQWTCWPQH-UHFFFAOYSA-N 0 0 447.585 5.490 50 0 IKAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3cc(C)ccc3C)c3ccccc23)cc1 ZINC000017041703 569171505 /nfs/dbraw/zinc/17/15/05/569171505.db2.gz XPELNAQFZGUIDJ-UHFFFAOYSA-N 0 0 446.572 5.179 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)n2)cc1 ZINC000017042766 569171605 /nfs/dbraw/zinc/17/16/05/569171605.db2.gz WAFOUPDQQLCPOH-UHFFFAOYSA-N 0 0 438.535 6.533 50 0 IKAARN CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000017057690 569172193 /nfs/dbraw/zinc/17/21/93/569172193.db2.gz VNWWMZKAASJVJP-MLECPPIISA-N 0 0 425.569 5.264 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)C[C@@H]1C ZINC000037356664 569172393 /nfs/dbraw/zinc/17/23/93/569172393.db2.gz ORRJXXYATJMFCS-IRXDYDNUSA-N 0 0 448.970 5.315 50 0 IKAARN O=C(CSc1ccc(NC(=O)c2ccco2)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000017099625 569173909 /nfs/dbraw/zinc/17/39/09/569173909.db2.gz ITOJIXVMIONVKP-UHFFFAOYSA-N 0 0 435.530 5.386 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)nc2c1 ZINC000017099268 569173915 /nfs/dbraw/zinc/17/39/15/569173915.db2.gz ZIQUVLKXPDSSJB-OAHLLOKOSA-N 0 0 434.923 6.923 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@@H]1C ZINC000037357349 569173922 /nfs/dbraw/zinc/17/39/22/569173922.db2.gz AZNCSIBMUABXKD-INIZCTEOSA-N 0 0 434.943 5.069 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000017112894 569174160 /nfs/dbraw/zinc/17/41/60/569174160.db2.gz KLTHKIQPZGROKV-UHFFFAOYSA-N 0 0 448.588 5.378 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2ccco2)c1 ZINC000017121947 569174244 /nfs/dbraw/zinc/17/42/44/569174244.db2.gz KGOHMFMUXNJTRY-UHFFFAOYSA-N 0 0 433.577 5.828 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)Nc1cc(C)cc(C)c1 ZINC000017121933 569174257 /nfs/dbraw/zinc/17/42/57/569174257.db2.gz KRUCIWHLETVBAQ-UHFFFAOYSA-N 0 0 431.605 6.436 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)Nc1cc(C)ccc1C ZINC000017121938 569174268 /nfs/dbraw/zinc/17/42/68/569174268.db2.gz LHLGPERJIJDPME-UHFFFAOYSA-N 0 0 431.605 6.436 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2ccccc2C)nn1 ZINC000017135953 569174499 /nfs/dbraw/zinc/17/44/99/569174499.db2.gz LGPMNFHUKCTBCK-UHFFFAOYSA-N 0 0 438.603 5.676 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc2ccccc21 ZINC000017143659 569174626 /nfs/dbraw/zinc/17/46/26/569174626.db2.gz QCSSKOHFOIFFKZ-UHFFFAOYSA-N 0 0 437.971 5.250 50 0 IKAARN O=C(NC1CCCCCCCCCCC1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000017170412 569175552 /nfs/dbraw/zinc/17/55/52/569175552.db2.gz GHTQYSKXIKDOMM-NRFANRHFSA-N 0 0 448.913 6.300 50 0 IKAARN CC(C)CNc1nc2nn(-c3ccc(Cl)cc3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037358441 569176148 /nfs/dbraw/zinc/17/61/48/569176148.db2.gz VBXKJDGHXCYKSP-UHFFFAOYSA-N 0 0 427.339 5.439 50 0 IKAARN Cc1cc2c(nc(SCC(=O)c3cc4ccccc4o3)n(Cc3ccco3)c2=O)s1 ZINC000001061519 569176548 /nfs/dbraw/zinc/17/65/48/569176548.db2.gz GBDLRKKRQVTPQZ-UHFFFAOYSA-N 0 0 436.514 5.129 50 0 IKAARN COc1ccccc1-c1nc(NC2CCCC2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037358685 569176550 /nfs/dbraw/zinc/17/65/50/569176550.db2.gz XUSOQYMMJOUYTF-UHFFFAOYSA-N 0 0 434.931 5.081 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1Br ZINC000001059938 569176595 /nfs/dbraw/zinc/17/65/95/569176595.db2.gz VZURPSJVYUPLGE-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN CC(=O)Nc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1C ZINC000001115249 569176728 /nfs/dbraw/zinc/17/67/28/569176728.db2.gz ODRMQFPXDZAFKJ-UHFFFAOYSA-N 0 0 432.090 5.368 50 0 IKAARN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000001077969 569176737 /nfs/dbraw/zinc/17/67/37/569176737.db2.gz UCHOLSDORJJECI-UHFFFAOYSA-N 0 0 443.528 5.261 50 0 IKAARN Cc1ccc(C(=O)[C@]2(C)[C@H]3c4c(ccc5ccccc54)OC(=O)[C@]32C(=O)c2ccccc2)cc1 ZINC000001132520 569176807 /nfs/dbraw/zinc/17/68/07/569176807.db2.gz PSNWSURSFLGIJU-TZFWCWEWSA-N 0 0 446.502 5.923 50 0 IKAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCc1ccccc1)nc2-c1cccc(Cl)c1 ZINC000037358955 569176868 /nfs/dbraw/zinc/17/68/68/569176868.db2.gz ZOBPMNYSLHAZKN-UHFFFAOYSA-N 0 0 444.901 5.469 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c(C)c1 ZINC000002074069 569177004 /nfs/dbraw/zinc/17/70/04/569177004.db2.gz KUSXQKBHWWAOFO-UHFFFAOYSA-N 0 0 447.991 6.606 50 0 IKAARN Cc1c(C(=O)OCc2ccccc2)sc2ncn(Cc3ccc(C(C)C)cc3)c(=O)c12 ZINC000001789834 569177127 /nfs/dbraw/zinc/17/71/27/569177127.db2.gz BXZJOPXSWWLIER-UHFFFAOYSA-N 0 0 432.545 5.295 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@H](C)C2 ZINC000002825552 569177494 /nfs/dbraw/zinc/17/74/94/569177494.db2.gz XULLGTFBEMDDPN-AWEZNQCLSA-N 0 0 436.552 6.133 50 0 IKAARN O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1I ZINC000002875868 569177588 /nfs/dbraw/zinc/17/75/88/569177588.db2.gz LQCMFSPVKAYORJ-UHFFFAOYSA-N 0 0 431.298 5.695 50 0 IKAARN C[C@@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000002872186 569177594 /nfs/dbraw/zinc/17/75/94/569177594.db2.gz VPPJQZWQPCRZHL-MRXNPFEDSA-N 0 0 442.437 5.041 50 0 IKAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1ccccc1)nc2-c1cccc(Cl)c1 ZINC000037359581 569177731 /nfs/dbraw/zinc/17/77/31/569177731.db2.gz FQAJVIWETCGNFV-UHFFFAOYSA-N 0 0 440.938 5.389 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 ZINC000006195959 569178302 /nfs/dbraw/zinc/17/83/02/569178302.db2.gz MFIOYKDSEVRTRB-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000002085477 569178432 /nfs/dbraw/zinc/17/84/32/569178432.db2.gz QFNYEOQLUGYYSF-IBGZPJMESA-N 0 0 444.944 5.302 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000006924989 569178525 /nfs/dbraw/zinc/17/85/25/569178525.db2.gz MSPMMWWNSXFDOF-JTHBVZDNSA-N 0 0 435.321 5.700 50 0 IKAARN Cc1nc(-c2c[nH]c(C(=O)N(C)CC3(c4ccc(Br)cc4)CC3)c2)cs1 ZINC000170638083 569178586 /nfs/dbraw/zinc/17/85/86/569178586.db2.gz JFACWABMGIEYKB-UHFFFAOYSA-N 0 0 430.371 5.013 50 0 IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc4ccccc4c3)c(C)c2oc1=O ZINC000002092888 569178961 /nfs/dbraw/zinc/17/89/61/569178961.db2.gz FAZKTIVHABASAV-UHFFFAOYSA-N 0 0 430.500 5.638 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2oc1=O ZINC000002093149 569178967 /nfs/dbraw/zinc/17/89/67/569178967.db2.gz HRFWQFDOSOJGQW-UHFFFAOYSA-N 0 0 434.410 5.195 50 0 biogenic IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000002095645 569179101 /nfs/dbraw/zinc/17/91/01/569179101.db2.gz PUBTUVADUXWPES-UHFFFAOYSA-N 0 0 440.282 5.784 50 0 biogenic IKAARN COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c(OC)c1 ZINC000002095676 569179322 /nfs/dbraw/zinc/17/93/22/569179322.db2.gz XPWHZBPZAHGMIH-UHFFFAOYSA-N 0 0 435.476 5.053 50 0 biogenic IKAARN Cc1ccccc1[C@@H]1CN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CCO1 ZINC000170639083 569179542 /nfs/dbraw/zinc/17/95/42/569179542.db2.gz GESSGUVGOYOHPM-IBGZPJMESA-N 0 0 432.467 5.351 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1OC ZINC000002101382 569179884 /nfs/dbraw/zinc/17/98/84/569179884.db2.gz JZTSCFGXWALULC-QHCPKHFHSA-N 0 0 447.531 5.003 50 0 biogenic IKAARN FC(F)(F)c1cnc(Sc2nnc(-c3ccccc3Br)o2)c(Cl)c1 ZINC000015143606 569180143 /nfs/dbraw/zinc/18/01/43/569180143.db2.gz MWTRJZHBZWJQDX-UHFFFAOYSA-N 0 0 436.640 5.718 50 0 IKAARN Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000001251094 569180128 /nfs/dbraw/zinc/18/01/28/569180128.db2.gz OMCUVOYDYOZPKY-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ncoc2-c2ccccc2Cl)n1 ZINC000170640105 569180147 /nfs/dbraw/zinc/18/01/47/569180147.db2.gz IZAUMTSEQJVVDS-UHFFFAOYSA-N 0 0 425.897 5.688 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(C)cc3)c2)cc1 ZINC000002104103 569180260 /nfs/dbraw/zinc/18/02/60/569180260.db2.gz BTEZTFVSIIFQHJ-UHFFFAOYSA-N 0 0 428.484 6.003 50 0 biogenic IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000000901309 569180453 /nfs/dbraw/zinc/18/04/53/569180453.db2.gz LKOROUZPJCWFPJ-CABCVRRESA-N 0 0 443.494 5.621 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 ZINC000001088248 569180470 /nfs/dbraw/zinc/18/04/70/569180470.db2.gz SFLBPANIEHQUDB-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000001476589 569180536 /nfs/dbraw/zinc/18/05/36/569180536.db2.gz ZUTITJRGMPRTDS-UHFFFAOYSA-N 0 0 449.963 5.332 50 0 IKAARN Fc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c1 ZINC000001246853 569180542 /nfs/dbraw/zinc/18/05/42/569180542.db2.gz CQEZNYUKMMJGEF-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001829145 569180545 /nfs/dbraw/zinc/18/05/45/569180545.db2.gz WOEMBDRKHDQLQF-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)c3cccc(C)c3n2)cc1 ZINC000002079350 569180552 /nfs/dbraw/zinc/18/05/52/569180552.db2.gz ILEGMPFJEPEIOD-IBGZPJMESA-N 0 0 439.511 5.955 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001809926 569180556 /nfs/dbraw/zinc/18/05/56/569180556.db2.gz QKYSAYJUDYZDPR-UHFFFAOYSA-N 0 0 443.355 5.993 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 ZINC000001474813 569180589 /nfs/dbraw/zinc/18/05/89/569180589.db2.gz MUSKGUMBPVFHMS-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000002261447 569180665 /nfs/dbraw/zinc/18/06/65/569180665.db2.gz IUBWZUQUDHGFHG-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN CC[C@H](OC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc21)C(=O)c1ccccc1 ZINC000002079448 569180669 /nfs/dbraw/zinc/18/06/69/569180669.db2.gz PHWCBSZDDSGQES-MHZLTWQESA-N 0 0 437.539 6.844 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(Cl)cc32)cc1 ZINC000002079499 569180687 /nfs/dbraw/zinc/18/06/87/569180687.db2.gz RATOSXHVTJSBNT-UHFFFAOYSA-N 0 0 443.930 6.520 50 0 IKAARN Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c1 ZINC000002261015 569180693 /nfs/dbraw/zinc/18/06/93/569180693.db2.gz BJJFNKFRTAUIPQ-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c3cccc(C)c3n2)cc1 ZINC000002079424 569180694 /nfs/dbraw/zinc/18/06/94/569180694.db2.gz DHPZTEYMJVIPOR-SFHVURJKSA-N 0 0 425.484 5.647 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Br)cc2)cc1 ZINC000002259778 569180703 /nfs/dbraw/zinc/18/07/03/569180703.db2.gz DZMVIKWKHPEJJE-UHFFFAOYSA-N 0 0 437.362 5.749 50 0 IKAARN CCOc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000002506959 569180868 /nfs/dbraw/zinc/18/08/68/569180868.db2.gz MEYOLJDCDPWWSX-UHFFFAOYSA-N 0 0 430.529 5.068 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)CCCC3 ZINC000002522433 569180872 /nfs/dbraw/zinc/18/08/72/569180872.db2.gz CSQMXDPUFJXXFU-UHFFFAOYSA-N 0 0 425.406 5.956 50 0 IKAARN CCOC(=O)c1c(C2=C(Cl)C=CCC2)csc1NC(=O)c1csc2c1CCCC2 ZINC000002107839 569181325 /nfs/dbraw/zinc/18/13/25/569181325.db2.gz VQMQBKYLSFGZDE-UHFFFAOYSA-N 0 0 448.009 6.417 50 0 IKAARN Cc1cccc(-n2nc3nc(NCCc4cccs4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037360586 569181438 /nfs/dbraw/zinc/18/14/38/569181438.db2.gz BSLSEQKXLOEDSU-UHFFFAOYSA-N 0 0 444.539 5.228 50 0 IKAARN Cc1cccc(-n2nc3nc(NCCc4ccccc4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037361203 569181559 /nfs/dbraw/zinc/18/15/59/569181559.db2.gz RXABOHWJGMMHAB-UHFFFAOYSA-N 0 0 438.510 5.167 50 0 IKAARN CC(C)c1ccc(-c2nc(N3CCCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1 ZINC000037360845 569181585 /nfs/dbraw/zinc/18/15/85/569181585.db2.gz NJGAEPYTGKZOSZ-UHFFFAOYSA-N 0 0 430.531 5.318 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000135732379 569181881 /nfs/dbraw/zinc/18/18/81/569181881.db2.gz JSOJSWOILFOYBD-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN CCc1ccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)cc1 ZINC000002112481 569182084 /nfs/dbraw/zinc/18/20/84/569182084.db2.gz CHAQRPPYMSXXDZ-UHFFFAOYSA-N 0 0 425.528 5.920 50 0 biogenic IKAARN O=c1oc2c(ccc3c2CN(c2ccc(Oc4ccccc4)cc2)CO3)c2c1CCCC2 ZINC000002112550 569182093 /nfs/dbraw/zinc/18/20/93/569182093.db2.gz HMLRLBAPUJGWSN-UHFFFAOYSA-N 0 0 425.484 5.821 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc(F)cc3Cl)cc2o1 ZINC000002113760 569182204 /nfs/dbraw/zinc/18/22/04/569182204.db2.gz GDPQBGMDCZWSEC-UHFFFAOYSA-N 0 0 448.833 5.938 50 0 biogenic IKAARN CCCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1 ZINC000002112780 569182210 /nfs/dbraw/zinc/18/22/10/569182210.db2.gz WBZZOWIBLHLGLM-UHFFFAOYSA-N 0 0 447.531 5.294 50 0 biogenic IKAARN CCOc1ccccc1-c1nc(C(=O)NCCCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000002113081 569182225 /nfs/dbraw/zinc/18/22/25/569182225.db2.gz ZZVJPSMFOFTWNH-UHFFFAOYSA-N 0 0 449.554 6.144 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(CCc3ccccc3)n2)cc1 ZINC000002114304 569182301 /nfs/dbraw/zinc/18/23/01/569182301.db2.gz RPYZRMYHULZMPC-UHFFFAOYSA-N 0 0 435.527 5.440 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(Cl)c2)CO4)cc1 ZINC000002116937 569182565 /nfs/dbraw/zinc/18/25/65/569182565.db2.gz ULLICGTVAUKDTH-UHFFFAOYSA-N 0 0 433.891 5.787 50 0 biogenic IKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Oc2ccccc2)cc1)CO3 ZINC000002117649 569182585 /nfs/dbraw/zinc/18/25/85/569182585.db2.gz ZLMFPRCDWPPBEI-UHFFFAOYSA-N 0 0 447.490 6.609 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000002118656 569182657 /nfs/dbraw/zinc/18/26/57/569182657.db2.gz QRNUBGNGCMKPQO-UHFFFAOYSA-N 0 0 449.554 6.445 50 0 biogenic IKAARN Cc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3cccc(Cl)c3)n2)cc1 ZINC000002117992 569182667 /nfs/dbraw/zinc/18/26/67/569182667.db2.gz UAPIOSQPPWMCCG-UHFFFAOYSA-N 0 0 425.919 6.275 50 0 biogenic IKAARN O=C(NCc1cccc(Cl)c1)c1cc2c3ccccc3[nH]c2c(CCc2ccccc2)n1 ZINC000002119552 569182808 /nfs/dbraw/zinc/18/28/08/569182808.db2.gz WKHWMGRVAHLXEJ-UHFFFAOYSA-N 0 0 439.946 6.085 50 0 biogenic IKAARN COc1ccccc1CNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2OC)n1 ZINC000002119477 569182816 /nfs/dbraw/zinc/18/28/16/569182816.db2.gz HLKMKJCAKKDNRF-UHFFFAOYSA-N 0 0 437.499 5.330 50 0 biogenic IKAARN O=C(NC[C@H](O)c1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000002121175 569183440 /nfs/dbraw/zinc/18/34/40/569183440.db2.gz FOESLKQBDXHNDH-QHCPKHFHSA-N 0 0 441.918 5.500 50 0 biogenic IKAARN CCc1cccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c1 ZINC000002122850 569183553 /nfs/dbraw/zinc/18/35/53/569183553.db2.gz LWFXPFHTNHWVGT-UHFFFAOYSA-N 0 0 425.528 5.920 50 0 biogenic IKAARN CCn1c2ccccc2c2cc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 ZINC000002124077 569183668 /nfs/dbraw/zinc/18/36/68/569183668.db2.gz FNSAGXWCIIDFMA-NUKVQWKISA-N 0 0 435.571 5.842 50 0 biogenic IKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccc(Br)c1)CO3 ZINC000002122395 569183673 /nfs/dbraw/zinc/18/36/73/569183673.db2.gz RDOPWZJFTRAWJJ-UHFFFAOYSA-N 0 0 434.289 5.579 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3c(F)cccc3F)cc2o1 ZINC000002123559 569183677 /nfs/dbraw/zinc/18/36/77/569183677.db2.gz RMQDTMJAMNEVGD-UHFFFAOYSA-N 0 0 432.378 5.424 50 0 biogenic IKAARN Cn1c(CSc2nc3ccccc3s2)nn(CN2CC[C@H]3CCCC[C@H]3C2)c1=S ZINC000252445383 569183935 /nfs/dbraw/zinc/18/39/35/569183935.db2.gz KEKJUJKNCITDAD-CVEARBPZSA-N 0 0 445.683 5.323 50 0 IKAARN Cc1c(OCc2ccc(F)cc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002125781 569184035 /nfs/dbraw/zinc/18/40/35/569184035.db2.gz YMVKYVGNIQCYLO-UHFFFAOYSA-N 0 0 428.415 5.593 50 0 biogenic IKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(c1ccc(Oc3ccccc3)cc1)CO2 ZINC000002125993 569184042 /nfs/dbraw/zinc/18/40/42/569184042.db2.gz STXMOWXMQQDKOA-UHFFFAOYSA-N 0 0 439.511 6.129 50 0 biogenic IKAARN COc1ccc2nc(Cl)c(CN=Nc3nc4ccccc4c(-c4ccccc4)n3)cc2c1 ZINC000252453038 569184187 /nfs/dbraw/zinc/18/41/87/569184187.db2.gz XXPCRSOPELLTJH-UHFFFAOYSA-N 0 0 439.906 5.953 50 0 IKAARN CCN(CC)c1ccc(CN=Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)cc1 ZINC000252458378 569184481 /nfs/dbraw/zinc/18/44/81/569184481.db2.gz DKGTVWRGOBECOD-UHFFFAOYSA-N 0 0 429.955 6.242 50 0 IKAARN CCOc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000017315933 569184526 /nfs/dbraw/zinc/18/45/26/569184526.db2.gz MQWIREYJVUVSLO-UHFFFAOYSA-N 0 0 439.947 5.295 50 0 IKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000208005480 569184624 /nfs/dbraw/zinc/18/46/24/569184624.db2.gz VERWCIGEWZMUQM-UHFFFAOYSA-N 0 0 441.438 5.615 50 0 IKAARN COc1cccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1OC ZINC000208010620 569184700 /nfs/dbraw/zinc/18/47/00/569184700.db2.gz OBUKQSUZUGOIJT-UHFFFAOYSA-N 0 0 434.492 5.886 50 0 IKAARN Cc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000002130599 569184929 /nfs/dbraw/zinc/18/49/29/569184929.db2.gz DQLURHZPBVNZPI-UHFFFAOYSA-N 0 0 435.483 5.350 50 0 biogenic IKAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(F)cc3)N2C(=S)N1C1CCCCC1 ZINC000002132904 569185063 /nfs/dbraw/zinc/18/50/63/569185063.db2.gz BMOWXGLDTLRSMW-JTHBVZDNSA-N 0 0 433.552 5.083 50 0 biogenic IKAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3cccc(Br)c3)cc12 ZINC000000637428 569185288 /nfs/dbraw/zinc/18/52/88/569185288.db2.gz IVVXJVZQSYPWQN-UHFFFAOYSA-N 0 0 449.304 5.172 50 0 IKAARN Cc1ccc(-c2nc(C(=O)NCCc3c[nH]c4ccccc34)cc3c4ccccc4[nH]c32)cc1 ZINC000002135418 569185323 /nfs/dbraw/zinc/18/53/23/569185323.db2.gz AOCGKTOXQXHXSD-UHFFFAOYSA-N 0 0 444.538 6.145 50 0 biogenic IKAARN O=C(NCCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002138708 569185356 /nfs/dbraw/zinc/18/53/56/569185356.db2.gz XXZFNTWBJOZUJW-UHFFFAOYSA-N 0 0 449.510 5.474 50 0 biogenic IKAARN CCc1nc([C@H](C)NC(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000252477145 569185739 /nfs/dbraw/zinc/18/57/39/569185739.db2.gz IYDKMQODXPBXBZ-GHTZIAJQSA-N 0 0 444.645 5.368 50 0 IKAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000002529403 569185749 /nfs/dbraw/zinc/18/57/49/569185749.db2.gz XJIAQMQJLRJYRN-UHFFFAOYSA-N 0 0 440.286 5.134 50 0 IKAARN O=C(NCCC[C@]1(c2ccccc2)C(=O)Nc2ccc(Cl)cc21)OCc1ccccc1 ZINC000002172312 569185793 /nfs/dbraw/zinc/18/57/93/569185793.db2.gz NRTVOMXXRWHCAR-RUZDIDTESA-N 0 0 434.923 5.285 50 0 IKAARN Cc1cccc(-n2c(CNc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000002544663 569185828 /nfs/dbraw/zinc/18/58/28/569185828.db2.gz XNIDYHVROLMDPM-UHFFFAOYSA-N 0 0 448.979 5.816 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000002544558 569185847 /nfs/dbraw/zinc/18/58/47/569185847.db2.gz GMGMNLCMONDRHO-UHFFFAOYSA-N 0 0 446.551 5.290 50 0 IKAARN COc1ccc(C(=O)CCNc2ccc(SCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000002544814 569185858 /nfs/dbraw/zinc/18/58/58/569185858.db2.gz GBGQGEWGGNORNL-UHFFFAOYSA-N 0 0 446.399 6.979 50 0 IKAARN CCOC(=O)c1c(C(=O)OCC)c2c3ccccc3ccn2c1C(=O)c1ccccc1Cl ZINC000002544917 569185861 /nfs/dbraw/zinc/18/58/61/569185861.db2.gz BNKPZQSNQNFRCX-UHFFFAOYSA-N 0 0 449.890 5.330 50 0 IKAARN COc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)c2ccc(SC)cc2)cc1 ZINC000002582780 569185914 /nfs/dbraw/zinc/18/59/14/569185914.db2.gz WLWZENOWLUMONR-QHCPKHFHSA-N 0 0 429.006 7.177 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cnn(-c2ccccc2)n1 ZINC000208010905 569186164 /nfs/dbraw/zinc/18/61/64/569186164.db2.gz PYAYFMVALCJCNA-UHFFFAOYSA-N 0 0 441.491 5.449 50 0 IKAARN COc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccc(SC)cc2)cc1 ZINC000004118594 569186355 /nfs/dbraw/zinc/18/63/55/569186355.db2.gz WLWZENOWLUMONR-HSZRJFAPSA-N 0 0 429.006 7.177 50 0 IKAARN O=C(CC1(n2cccc2)CCSCC1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252489824 569186852 /nfs/dbraw/zinc/18/68/52/569186852.db2.gz KBQNWNZOILHASK-HSZRJFAPSA-N 0 0 444.604 5.077 50 0 IKAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)c12 ZINC000002149228 569187113 /nfs/dbraw/zinc/18/71/13/569187113.db2.gz JVQAIJFRGZYKCM-UHFFFAOYSA-N 0 0 433.504 5.124 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3c(C)c(C)c(C)c(C)c3C)cc2oc1=O ZINC000002148147 569187115 /nfs/dbraw/zinc/18/71/15/569187115.db2.gz NACJNDHSZFUHBD-UHFFFAOYSA-N 0 0 436.548 5.718 50 0 biogenic IKAARN COc1ccc2c(COc3ccc4c(c3)occ(-c3ccccc3)c4=O)cc(=O)oc2c1 ZINC000002150773 569187299 /nfs/dbraw/zinc/18/72/99/569187299.db2.gz SDKHZRSSQSVVOV-UHFFFAOYSA-N 0 0 426.424 5.154 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 ZINC000002151834 569187319 /nfs/dbraw/zinc/18/73/19/569187319.db2.gz PSWOYKKYSOAVFZ-IBGZPJMESA-N 0 0 445.556 5.289 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(Br)c1)CO3 ZINC000002158341 569187675 /nfs/dbraw/zinc/18/76/75/569187675.db2.gz AHLRUDIIODXQAE-UHFFFAOYSA-N 0 0 428.326 5.563 50 0 biogenic IKAARN Fc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000008407163 569187689 /nfs/dbraw/zinc/18/76/89/569187689.db2.gz IKQKQVBVJPUXQY-FQEVSTJZSA-N 0 0 439.968 7.020 50 0 IKAARN Cc1c(OCc2cccc(Cl)c2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002159223 569187866 /nfs/dbraw/zinc/18/78/66/569187866.db2.gz CHHIZMGVPQVFJV-UHFFFAOYSA-N 0 0 444.870 6.107 50 0 biogenic IKAARN Cc1cc(Br)cc(NCc2cnn3ccccc23)c1NC(=O)OC(C)(C)C ZINC000252493138 569187870 /nfs/dbraw/zinc/18/78/70/569187870.db2.gz MZYHLUFOZFOENQ-UHFFFAOYSA-N 0 0 431.334 5.364 50 0 IKAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000252509098 569188498 /nfs/dbraw/zinc/18/84/98/569188498.db2.gz YCKJLPIMCVBLMS-UHFFFAOYSA-N 0 0 446.576 5.266 50 0 IKAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524735616 569188713 /nfs/dbraw/zinc/18/87/13/569188713.db2.gz NTTLGTSHRSMWBN-BJKOFHAPSA-N 0 0 446.620 5.899 50 0 IKAARN COc1ccc2c(ccn2CCCN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 ZINC000252523090 569189623 /nfs/dbraw/zinc/18/96/23/569189623.db2.gz BWLSIZSBCGSOTF-UHFFFAOYSA-N 0 0 444.560 5.426 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccc(-c2nccs2)cc1 ZINC000252528048 569189736 /nfs/dbraw/zinc/18/97/36/569189736.db2.gz DYYFEZDAMKINPO-UHFFFAOYSA-N 0 0 430.558 5.696 50 0 IKAARN COc1ccc(C2(C(=O)N[C@@H](c3nc4ccccc4n3C(C)C)C(C)C)CCOCC2)cc1 ZINC000252536119 569189914 /nfs/dbraw/zinc/18/99/14/569189914.db2.gz HPWPFZXTXGQZAQ-XMMPIXPASA-N 0 0 449.595 5.188 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCCc1nc(-c2ccccc2)no1 ZINC000252536360 569189919 /nfs/dbraw/zinc/18/99/19/569189919.db2.gz IGKQZFHQWJJXBU-UHFFFAOYSA-N 0 0 443.532 5.055 50 0 IKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2Cl)n1-c1ccccc1 ZINC000252538986 569190123 /nfs/dbraw/zinc/19/01/23/569190123.db2.gz NPIBIVCXURBOQA-UHFFFAOYSA-N 0 0 443.959 6.327 50 0 IKAARN CC(C)[C@H](c1nc2ccccc2[nH]1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000252540361 569190257 /nfs/dbraw/zinc/19/02/57/569190257.db2.gz PERTUKVDQKYVKM-OAQYLSRUSA-N 0 0 429.549 5.646 50 0 IKAARN O=c1oc(-c2cccc(-c3nc4cc(Cl)ccc4c(=O)o3)c2)nc2cc(Cl)ccc21 ZINC000002190337 569190532 /nfs/dbraw/zinc/19/05/32/569190532.db2.gz HBCPCIUWIWTPOK-UHFFFAOYSA-N 0 0 437.238 5.330 50 0 IKAARN CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1ccc(OC(F)(F)F)cc1 ZINC000002191499 569190540 /nfs/dbraw/zinc/19/05/40/569190540.db2.gz MBNCEJWAHICNHT-UHFFFAOYSA-N 0 0 429.609 5.861 50 0 IKAARN O=C(Nc1ccccc1O)c1ccccc1Oc1ccccc1C(=O)Nc1ccccc1O ZINC000002194590 569191070 /nfs/dbraw/zinc/19/10/70/569191070.db2.gz ZKFALGHUNSXSPK-UHFFFAOYSA-N 0 0 440.455 5.395 50 0 IKAARN O=c1c(Cl)c(N2CCCC[C@@H]2c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000252569073 569191086 /nfs/dbraw/zinc/19/10/86/569191086.db2.gz VWXSIACNOQOXEB-MRXNPFEDSA-N 0 0 434.849 5.031 50 0 IKAARN COc1ccc(OC)c(-c2csc(=NC(=O)c3ccccc3)n2Cc2ccccc2)c1 ZINC000252581671 569191189 /nfs/dbraw/zinc/19/11/89/569191189.db2.gz KRTOFQXUFZSFKG-UHFFFAOYSA-N 0 0 430.529 5.023 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(C(C)C)c2)cc1 ZINC000002196168 569191324 /nfs/dbraw/zinc/19/13/24/569191324.db2.gz LTXMFUIJINSQNM-UHFFFAOYSA-N 0 0 428.532 5.665 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 ZINC000002195238 569191335 /nfs/dbraw/zinc/19/13/35/569191335.db2.gz KKEQTBLOKISXQH-UHFFFAOYSA-N 0 0 436.943 5.461 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C(C)C)ccc2C)cc1 ZINC000002195245 569191373 /nfs/dbraw/zinc/19/13/73/569191373.db2.gz VSMOMRDZDUIEJO-UHFFFAOYSA-N 0 0 428.532 5.583 50 0 IKAARN O=C(COc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)c1ccc(Cl)cc1 ZINC000002199174 569191457 /nfs/dbraw/zinc/19/14/57/569191457.db2.gz QLDBCSILRWVSHU-UHFFFAOYSA-N 0 0 448.858 5.146 50 0 IKAARN COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 ZINC000002196910 569191526 /nfs/dbraw/zinc/19/15/26/569191526.db2.gz MJUZHWOLBBOTDE-UHFFFAOYSA-N 0 0 447.922 5.648 50 0 IKAARN CC(C)CN(CCC(=O)NCc1ccccc1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037383608 569191981 /nfs/dbraw/zinc/19/19/81/569191981.db2.gz BCZKZPXDWJXVMS-UHFFFAOYSA-N 0 0 444.604 5.527 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCN(c3nc(-c4ccco4)nc4ccccc43)CC2)cc1 ZINC000037383274 569191997 /nfs/dbraw/zinc/19/19/97/569191997.db2.gz VNEAHMDGEIYUDI-UHFFFAOYSA-N 0 0 441.535 5.367 50 0 IKAARN CC(C)CN(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383580 569191999 /nfs/dbraw/zinc/19/19/99/569191999.db2.gz HLOGFSBUXBPZFF-FQEVSTJZSA-N 0 0 442.563 5.620 50 0 IKAARN CCN(C(=O)/C=C1/Sc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1=O)C(C)C ZINC000037383753 569192032 /nfs/dbraw/zinc/19/20/32/569192032.db2.gz ASQYVEJOPWFLQV-DEDYPNTBSA-N 0 0 448.510 5.485 50 0 IKAARN CC(C)Oc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037384617 569192148 /nfs/dbraw/zinc/19/21/48/569192148.db2.gz ZIFXZEQBXLNUBS-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CCCN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000037384557 569192157 /nfs/dbraw/zinc/19/21/57/569192157.db2.gz KAFKLPYBXCFFQC-UHFFFAOYSA-N 0 0 448.954 5.466 50 0 IKAARN CCCN(CCC(=O)Nc1ccc(OC)cc1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384528 569192160 /nfs/dbraw/zinc/19/21/60/569192160.db2.gz ZARQXFFQAUQITB-UHFFFAOYSA-N 0 0 446.576 5.612 50 0 IKAARN Cc1ccccc1-c1nc(OC(C)C)nn1-c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000037384945 569192219 /nfs/dbraw/zinc/19/22/19/569192219.db2.gz HWLPDVLYXACJQG-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN Cc1ccccc1NC(=O)Nc1cccc(-n2nc(OC(C)C)nc2-c2cccs2)c1 ZINC000037384770 569192283 /nfs/dbraw/zinc/19/22/83/569192283.db2.gz NNGQEYMSLJQCGD-UHFFFAOYSA-N 0 0 433.537 5.735 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C(C)C)ccc2C)cc1 ZINC000002200296 569192357 /nfs/dbraw/zinc/19/23/57/569192357.db2.gz UZFRSQNXYAQSLS-UHFFFAOYSA-N 0 0 442.559 5.973 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037385156 569192361 /nfs/dbraw/zinc/19/23/61/569192361.db2.gz RYJJDUUJURWSNG-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 ZINC000002202131 569192471 /nfs/dbraw/zinc/19/24/71/569192471.db2.gz ADGYYUPCWDRUPE-UHFFFAOYSA-N 0 0 433.895 5.339 50 0 IKAARN COc1ccccc1-c1cc(-c2ccccc2)nc2sc(C(=O)NC(C)(C)C)c(N)c21 ZINC000002202972 569192725 /nfs/dbraw/zinc/19/27/25/569192725.db2.gz XJIBQOJZWNAORT-UHFFFAOYSA-N 0 0 431.561 5.749 50 0 IKAARN CC[C@H](C)c1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002203683 569192769 /nfs/dbraw/zinc/19/27/69/569192769.db2.gz AJJKJLAORYJBQY-FQEVSTJZSA-N 0 0 442.559 6.055 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2nc4ccccc4s2)c3=O)cc1 ZINC000002203865 569192810 /nfs/dbraw/zinc/19/28/10/569192810.db2.gz AQDSGOUOGNODIB-UHFFFAOYSA-N 0 0 429.453 5.298 50 0 IKAARN O=C(CCn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)NCc1cccnc1 ZINC000037396975 569192907 /nfs/dbraw/zinc/19/29/07/569192907.db2.gz VOCLLIPUDHQZJC-UHFFFAOYSA-N 0 0 439.346 5.035 50 0 IKAARN O=C(CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NCc1ccccn1 ZINC000037396955 569192912 /nfs/dbraw/zinc/19/29/12/569192912.db2.gz YXPGASJXFUVYGH-UHFFFAOYSA-N 0 0 439.346 5.035 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C(=O)NC3CC3)c3ccccc3)c2cc1C ZINC000037396693 569193025 /nfs/dbraw/zinc/19/30/25/569193025.db2.gz ZBDZFVNHLHVUGO-AREMUKBSSA-N 0 0 427.523 5.251 50 0 IKAARN COc1ccc(NC(=O)Cn2c(Cc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000037397021 569193067 /nfs/dbraw/zinc/19/30/67/569193067.db2.gz LCDZWUMRKRHDQJ-UHFFFAOYSA-N 0 0 440.330 5.581 50 0 IKAARN Cc1cc2nc(Cc3ccccc3Cl)n(CCC(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037397050 569193079 /nfs/dbraw/zinc/19/30/79/569193079.db2.gz VGWGKGMZXKHHST-UHFFFAOYSA-N 0 0 449.957 5.743 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C(=O)NC(C)C)c3ccccc3)c2cc1C ZINC000037397179 569193162 /nfs/dbraw/zinc/19/31/62/569193162.db2.gz LPSKMNWKSXZFLF-SANMLTNESA-N 0 0 429.539 5.497 50 0 IKAARN CCC[C@H](C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397192 569193202 /nfs/dbraw/zinc/19/32/02/569193202.db2.gz SHJGDVNGPVDCLO-OAQYLSRUSA-N 0 0 446.378 5.134 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C(=O)NC(C)(C)C)c3ccccc3)c2cc1C ZINC000037397182 569193203 /nfs/dbraw/zinc/19/32/03/569193203.db2.gz FPFVAWUQTVPMRQ-AREMUKBSSA-N 0 0 443.566 5.887 50 0 IKAARN O=C(CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000037397316 569193251 /nfs/dbraw/zinc/19/32/51/569193251.db2.gz CNZZXLYURDVXMW-UHFFFAOYSA-N 0 0 442.321 6.102 50 0 IKAARN CCC[C@@H](C(=O)NCC(C)C)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397346 569193291 /nfs/dbraw/zinc/19/32/91/569193291.db2.gz NTLUEOFEFBDFBL-NRFANRHFSA-N 0 0 432.395 6.047 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cn1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397382 569193323 /nfs/dbraw/zinc/19/33/23/569193323.db2.gz CTKJCUSBGHSYSH-UHFFFAOYSA-N 0 0 438.358 5.593 50 0 IKAARN CCC[C@H](C(=O)N(C)CCC)n1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037397538 569193390 /nfs/dbraw/zinc/19/33/90/569193390.db2.gz NZTQNVADTISZEU-OAQYLSRUSA-N 0 0 432.395 6.144 50 0 IKAARN CCC[C@@H](C(=O)NCc1ccc(F)cc1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037397504 569193505 /nfs/dbraw/zinc/19/35/05/569193505.db2.gz WFFCKOXFXOMYDW-DEOSSOPVSA-N 0 0 433.502 5.563 50 0 IKAARN CC(C)N(C)C(=O)[C@@H](c1ccccc1)n1c2ccccc2nc1Cc1cccc(Cl)c1 ZINC000037398187 569193620 /nfs/dbraw/zinc/19/36/20/569193620.db2.gz RRZDFPKKEBZHMT-RUZDIDTESA-N 0 0 431.967 5.737 50 0 IKAARN CC(C)N(C)C(=O)[C@H](c1ccccc1)n1c2ccccc2nc1Cc1cccc(Cl)c1 ZINC000037398188 569193665 /nfs/dbraw/zinc/19/36/65/569193665.db2.gz RRZDFPKKEBZHMT-VWLOTQADSA-N 0 0 431.967 5.737 50 0 IKAARN Cc1cc2nc(Cc3ccccc3Cl)n(CC(=O)N(C)Cc3ccccc3)c2cc1C ZINC000037397745 569193739 /nfs/dbraw/zinc/19/37/39/569193739.db2.gz CBLLIONDFXFHCK-UHFFFAOYSA-N 0 0 431.967 5.556 50 0 IKAARN Cc1cc2nc(Cc3ccccc3F)n([C@H](C)C(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037397832 569193776 /nfs/dbraw/zinc/19/37/76/569193776.db2.gz PFEBUKLNNIKJTO-GOSISDBHSA-N 0 0 433.502 5.400 50 0 IKAARN CC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398294 569193785 /nfs/dbraw/zinc/19/37/85/569193785.db2.gz RMAPGEUQKLCASY-JOCHJYFZSA-N 0 0 435.955 5.758 50 0 IKAARN O=C(NCCc1ccccn1)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000037398492 569193929 /nfs/dbraw/zinc/19/39/29/569193929.db2.gz AZIPDHOQVALEIF-UHFFFAOYSA-N 0 0 446.554 5.043 50 0 IKAARN CC[C@H](C(=O)NCc1ccncc1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398587 569193979 /nfs/dbraw/zinc/19/39/79/569193979.db2.gz QVHYIFXLKLYUJJ-HSZRJFAPSA-N 0 0 446.982 5.560 50 0 IKAARN CCC[C@H](C(=O)NCCOC)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398026 569193982 /nfs/dbraw/zinc/19/39/82/569193982.db2.gz ZRSIPCGKUNWFDZ-OAQYLSRUSA-N 0 0 427.976 5.001 50 0 IKAARN CCC[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 ZINC000002209639 569194081 /nfs/dbraw/zinc/19/40/81/569194081.db2.gz LTWSMYURLCHZBI-GFCCVEGCSA-N 0 0 440.421 6.114 50 0 IKAARN O=C1C[C@@H](c2cccc(Br)c2)N([S@](=O)Oc2ccccc2)c2ccccc21 ZINC000252605125 569194295 /nfs/dbraw/zinc/19/42/95/569194295.db2.gz GGALGJGMNVKEFI-CCLHPLFOSA-N 0 0 442.334 5.241 50 0 IKAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)CC(C)(C)C ZINC000037400512 569194891 /nfs/dbraw/zinc/19/48/91/569194891.db2.gz RHBZPTPZHSVKGL-GOSISDBHSA-N 0 0 447.597 5.026 50 0 IKAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)c1cccs1 ZINC000037403138 569195273 /nfs/dbraw/zinc/19/52/73/569195273.db2.gz BWEXEQWGAXBJCO-INIZCTEOSA-N 0 0 447.553 5.096 50 0 IKAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)C(C)C ZINC000037422969 569195550 /nfs/dbraw/zinc/19/55/50/569195550.db2.gz WPQIOSBRQDWWOT-OAHLLOKOSA-N 0 0 441.952 5.030 50 0 IKAARN O=C(C1CC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439723 569196464 /nfs/dbraw/zinc/19/64/64/569196464.db2.gz QZKKQKMXCIKMPT-KRWDZBQOSA-N 0 0 436.861 5.291 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440115 569196491 /nfs/dbraw/zinc/19/64/91/569196491.db2.gz KZOIESHUTQNRKA-GOSISDBHSA-N 0 0 433.379 5.951 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000037439574 569196495 /nfs/dbraw/zinc/19/64/95/569196495.db2.gz JLENKNFMEPFPKM-OAQYLSRUSA-N 0 0 446.513 5.972 50 0 IKAARN O=C(c1ccco1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440241 569196569 /nfs/dbraw/zinc/19/65/69/569196569.db2.gz RBKUAHLPHSBGAW-LJQANCHMSA-N 0 0 446.400 5.273 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440490 569196584 /nfs/dbraw/zinc/19/65/84/569196584.db2.gz RECMSXILKXHQFU-LJQANCHMSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440498 569196586 /nfs/dbraw/zinc/19/65/86/569196586.db2.gz ZSIXUWLBHNGWHY-FQEVSTJZSA-N 0 0 431.363 5.705 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440540 569196597 /nfs/dbraw/zinc/19/65/97/569196597.db2.gz PPYZKKKGAHDEPZ-QGZVFWFLSA-N 0 0 433.379 5.951 50 0 IKAARN O=C(c1cccs1)N(Cc1ccccc1F)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440528 569196606 /nfs/dbraw/zinc/19/66/06/569196606.db2.gz DCHSXLVHJZZIOW-MRXNPFEDSA-N 0 0 428.916 5.376 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440537 569196622 /nfs/dbraw/zinc/19/66/22/569196622.db2.gz PPYZKKKGAHDEPZ-KRWDZBQOSA-N 0 0 433.379 5.951 50 0 IKAARN CC[C@@H](C(=O)NC1CC1)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037440309 569196627 /nfs/dbraw/zinc/19/66/27/569196627.db2.gz WIHKNOSVJZJEMD-NRFANRHFSA-N 0 0 425.529 5.153 50 0 IKAARN CC[C@H](C(=O)NCc1ccccn1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037440338 569196635 /nfs/dbraw/zinc/19/66/35/569196635.db2.gz HZTTXHPWLWLLHJ-HXUWFJFHSA-N 0 0 438.597 5.077 50 0 IKAARN O=C(c1cccs1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440205 569196639 /nfs/dbraw/zinc/19/66/39/569196639.db2.gz TZAFJFSYCRWUOF-IBGZPJMESA-N 0 0 428.916 5.376 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)(C)C)C1 ZINC000037441259 569196691 /nfs/dbraw/zinc/19/66/91/569196691.db2.gz LRCBZUKJDYEWGT-IBGZPJMESA-N 0 0 447.501 5.517 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037441217 569196755 /nfs/dbraw/zinc/19/67/55/569196755.db2.gz IFJROSKITTWDHF-LJQANCHMSA-N 0 0 442.943 5.027 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440771 569196757 /nfs/dbraw/zinc/19/67/57/569196757.db2.gz ZMGSUHRQFOGYBN-NRFANRHFSA-N 0 0 440.877 5.454 50 0 IKAARN COc1cccc(CN(C[C@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)C(=O)C(C)C)c1 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O=C(c1ccccc1F)N(Cc1ccccc1Cl)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441921 569196981 /nfs/dbraw/zinc/19/69/81/569196981.db2.gz YASPVYDEPMHWDP-IBGZPJMESA-N 0 0 440.877 5.454 50 0 IKAARN CCNC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037442285 569197035 /nfs/dbraw/zinc/19/70/35/569197035.db2.gz WYKVKUHSWGYKGY-OAHLLOKOSA-N 0 0 440.758 5.372 50 0 IKAARN CC(C)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000037442194 569197059 /nfs/dbraw/zinc/19/70/59/569197059.db2.gz PEWBLCLHEJXWGV-UHFFFAOYSA-N 0 0 439.556 5.256 50 0 IKAARN CCC(=O)N(Cc1ccccc1)Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C ZINC000037442219 569197083 /nfs/dbraw/zinc/19/70/83/569197083.db2.gz SXNBARJFWMZBMC-UHFFFAOYSA-N 0 0 449.982 5.597 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000037443510 569197183 /nfs/dbraw/zinc/19/71/83/569197183.db2.gz GDTOKSUCJFPUAV-UWLXAEEESA-N 0 0 447.579 5.157 50 0 IKAARN CC(=O)c1ccc(Oc2cc(C(C)(C)C)nc(SCc3cccc(Cl)c3)n2)cc1 ZINC000037509588 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CCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000037541573 569199339 /nfs/dbraw/zinc/19/93/39/569199339.db2.gz ZEWMRRWWKXKXJE-UHFFFAOYSA-N 0 0 433.415 5.951 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037543161 569199395 /nfs/dbraw/zinc/19/93/95/569199395.db2.gz OVKDEXXSYNUDSS-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(NC(=O)OCc4ccccc4)c3)C2=O)c1 ZINC000037543392 569199514 /nfs/dbraw/zinc/19/95/14/569199514.db2.gz UCFVXJJTXSRCEL-UHFFFAOYSA-N 0 0 429.520 5.576 50 0 IKAARN O=C(Cc1cccs1)Nc1cccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c1 ZINC000037543404 569199518 /nfs/dbraw/zinc/19/95/18/569199518.db2.gz VLWGNYCPIXBPLH-UHFFFAOYSA-N 0 0 439.968 5.415 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccccc4Cl)c3)C2=O)cc1 ZINC000037543843 569199524 /nfs/dbraw/zinc/19/95/24/569199524.db2.gz KKMNZFVLFICKKV-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1ccccc1Cn1c(C(=O)Nc2ccccc2)cc2scc(Br)c21 ZINC000037543408 569199557 /nfs/dbraw/zinc/19/95/57/569199557.db2.gz 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569200017 /nfs/dbraw/zinc/20/00/17/569200017.db2.gz QFABTHVHJFNPJU-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1cccc(C)c1 ZINC000037547164 569200018 /nfs/dbraw/zinc/20/00/18/569200018.db2.gz QMFAVCOMQILUTE-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1 ZINC000037547223 569200025 /nfs/dbraw/zinc/20/00/25/569200025.db2.gz KVLWNGFABCRPPW-UHFFFAOYSA-N 0 0 437.446 5.093 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NCc1ccccc1 ZINC000037547359 569200047 /nfs/dbraw/zinc/20/00/47/569200047.db2.gz OSAFDUKCFUTWEP-UHFFFAOYSA-N 0 0 443.522 5.670 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2F)c1CCC(=O)N(C)C(C)C ZINC000037547242 569200056 /nfs/dbraw/zinc/20/00/56/569200056.db2.gz MNTZHEIKXXBSAL-UHFFFAOYSA-N 0 0 427.495 5.359 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)Nc1ccccc1 ZINC000037547319 569200067 /nfs/dbraw/zinc/20/00/67/569200067.db2.gz KTFBQJVSJYXMRQ-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccccc1 ZINC000037547248 569200086 /nfs/dbraw/zinc/20/00/86/569200086.db2.gz PAIVOWCVSJZVFZ-UHFFFAOYSA-N 0 0 429.495 5.361 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccccc1 ZINC000037547385 569200121 /nfs/dbraw/zinc/20/01/21/569200121.db2.gz UGCQYTYTLXWPJF-UHFFFAOYSA-N 0 0 429.495 5.361 50 0 IKAARN C[C@H](NC(=O)[C@H]1CC[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1)c1ccccc1 ZINC000037546621 569200190 /nfs/dbraw/zinc/20/01/90/569200190.db2.gz OYYHRMLMOQQSLS-OUIFVKKZSA-N 0 0 441.575 5.227 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccccc3)c2Oc2ccccc2C)cc1 ZINC000037546872 569200253 /nfs/dbraw/zinc/20/02/53/569200253.db2.gz WKMXAQMGBXSPAV-UHFFFAOYSA-N 0 0 441.531 5.861 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)Nc1cccc(C)c1 ZINC000037546898 569200286 /nfs/dbraw/zinc/20/02/86/569200286.db2.gz IFSOJFMEVKJDHQ-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccco1 ZINC000037546894 569200297 /nfs/dbraw/zinc/20/02/97/569200297.db2.gz IYUSCJBTCIHJPT-UHFFFAOYSA-N 0 0 437.446 5.093 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccc(C)cc4)c(OC)c3)no2)cc1OC ZINC000037553334 569200338 /nfs/dbraw/zinc/20/03/38/569200338.db2.gz QBIKKLWMMPOBCR-UHFFFAOYSA-N 0 0 432.476 5.317 50 0 IKAARN COc1cccc(-c2nnc3c4ccccc4nc(N4CCC(Cc5ccccc5)CC4)n23)c1 ZINC000037554392 569200371 /nfs/dbraw/zinc/20/03/71/569200371.db2.gz HNYCZSANBWUYLD-UHFFFAOYSA-N 0 0 449.558 5.412 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1)NCc1ccco1 ZINC000037555132 569200421 /nfs/dbraw/zinc/20/04/21/569200421.db2.gz RAPJGOHOJLJSOE-UHFFFAOYSA-N 0 0 442.490 5.125 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1)Nc1ccccc1 ZINC000037554911 569200428 /nfs/dbraw/zinc/20/04/28/569200428.db2.gz KTVFZUGFKIMFJI-UHFFFAOYSA-N 0 0 438.502 5.854 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCCc1ccccc1 ZINC000037555454 569200589 /nfs/dbraw/zinc/20/05/89/569200589.db2.gz ZEQDSBQDRJLSFW-UHFFFAOYSA-N 0 0 440.587 5.311 50 0 IKAARN COc1ccc(-c2nnc3c4ccccc4nc(N4CCC(Cc5ccccc5)CC4)n23)cc1 ZINC000037554572 569200594 /nfs/dbraw/zinc/20/05/94/569200594.db2.gz DCIKBDYMZMLVLN-UHFFFAOYSA-N 0 0 449.558 5.412 50 0 IKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037555715 569200597 /nfs/dbraw/zinc/20/05/97/569200597.db2.gz YPNIERUUWVUOQV-UHFFFAOYSA-N 0 0 428.576 5.433 50 0 IKAARN CC1CCN(C(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)cc2)CC1 ZINC000037556643 569200665 /nfs/dbraw/zinc/20/06/65/569200665.db2.gz PSIFOIOJWZDNJF-UHFFFAOYSA-N 0 0 444.550 5.474 50 0 IKAARN CCCN(C)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2C)cc1 ZINC000037557111 569200711 /nfs/dbraw/zinc/20/07/11/569200711.db2.gz MLNCFWCKBOTBRP-UHFFFAOYSA-N 0 0 432.539 5.392 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N2CCCC2)cc1 ZINC000037556598 569200721 /nfs/dbraw/zinc/20/07/21/569200721.db2.gz WQSDAVBVUWPFEY-UHFFFAOYSA-N 0 0 430.523 5.146 50 0 IKAARN CC[C@H](C)NC(=O)Cc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)C)cc1 ZINC000037558710 569200782 /nfs/dbraw/zinc/20/07/82/569200782.db2.gz HONGGFRYOUIFFP-KRWDZBQOSA-N 0 0 449.517 5.287 50 0 IKAARN CC[C@@H](C)NC(=O)Cc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)C)cc1 ZINC000037558708 569200808 /nfs/dbraw/zinc/20/08/08/569200808.db2.gz HONGGFRYOUIFFP-QGZVFWFLSA-N 0 0 449.517 5.287 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000002210465 569200913 /nfs/dbraw/zinc/20/09/13/569200913.db2.gz IJUDZERPRPWWLS-JOCHJYFZSA-N 0 0 444.556 6.048 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000002210957 569201221 /nfs/dbraw/zinc/20/12/21/569201221.db2.gz OLZIWIMZXFZRMQ-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN Cc1ccc(C)c([C@@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C(C)=C2C(=O)OC(C)C)c1 ZINC000037576202 569201299 /nfs/dbraw/zinc/20/12/99/569201299.db2.gz YMLXPXIPMVQELK-QFIPXVFZSA-N 0 0 427.491 5.323 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)CC(=O)N1Cc1cccc(Cl)c1 ZINC000037576340 569201345 /nfs/dbraw/zinc/20/13/45/569201345.db2.gz 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O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000037580703 569202084 /nfs/dbraw/zinc/20/20/84/569202084.db2.gz WVMNGKYUHJORRZ-UHFFFAOYSA-N 0 0 442.456 5.554 50 0 IKAARN Cc1ccc(CN(C(=O)C2CC2)c2cccc(CC(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000037601130 569202246 /nfs/dbraw/zinc/20/22/46/569202246.db2.gz ZKKXDDQPIKAXBL-NRFANRHFSA-N 0 0 426.560 5.358 50 0 IKAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccs2)c1)NCc1ccco1 ZINC000037601066 569202252 /nfs/dbraw/zinc/20/22/52/569202252.db2.gz RGRSJXPDGUUGDA-UHFFFAOYSA-N 0 0 448.519 5.186 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC2CC2)c1 ZINC000037600934 569202253 /nfs/dbraw/zinc/20/22/53/569202253.db2.gz IGXDOUZBXZETKX-UHFFFAOYSA-N 0 0 430.523 5.050 50 0 IKAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)NCc1ccc(F)cc1 ZINC000037601041 569202265 /nfs/dbraw/zinc/20/22/65/569202265.db2.gz GPKCVUCKDKDZCM-UHFFFAOYSA-N 0 0 444.550 5.408 50 0 IKAARN CC(C)CC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccccc2)c1 ZINC000037600896 569202290 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6.257 50 0 IKAARN COc1ccc(CSc2ncnc3c4c5c(c(CC(C)C)nc4sc32)CCC5)cc1 ZINC000002218073 569204077 /nfs/dbraw/zinc/20/40/77/569204077.db2.gz QXPTZEUMIFYUDS-UHFFFAOYSA-N 0 0 435.618 6.228 50 0 IKAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002220187 569204306 /nfs/dbraw/zinc/20/43/06/569204306.db2.gz GKVWBWRTQACDKR-CYBMUJFWSA-N 0 0 442.441 5.378 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3SCc3ccccc3Cl)c2c2c1CCC2 ZINC000002220120 569204336 /nfs/dbraw/zinc/20/43/36/569204336.db2.gz NTLKYFXRXPTTOT-UHFFFAOYSA-N 0 0 440.037 6.872 50 0 IKAARN COc1ccc(CCC(=O)N(Cc2ccccc2)c2ccncc2)cc1Br ZINC000195662939 569204411 /nfs/dbraw/zinc/20/44/11/569204411.db2.gz SJNGICFVEFHVEL-UHFFFAOYSA-N 0 0 425.326 5.019 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)cc1 ZINC000002221375 569204554 /nfs/dbraw/zinc/20/45/54/569204554.db2.gz FKZKXDHTPKLBJO-UHFFFAOYSA-N 0 0 436.899 5.042 50 0 IKAARN CCC[C@H]1Cc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000002221631 569204596 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ZINC000002256714 569217020 /nfs/dbraw/zinc/21/70/20/569217020.db2.gz APOLUTSYWVMFMI-FQEVSTJZSA-N 0 0 432.501 5.015 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 ZINC000002270619 569217172 /nfs/dbraw/zinc/21/71/72/569217172.db2.gz KWTCVVNMQUHIDY-HYARGMPZSA-N 0 0 448.316 5.681 50 0 IKAARN CCCCc1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002274117 569217715 /nfs/dbraw/zinc/21/77/15/569217715.db2.gz YFGOPJRDODXQCY-UHFFFAOYSA-N 0 0 446.620 6.088 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002272436 569217770 /nfs/dbraw/zinc/21/77/70/569217770.db2.gz KGDFTGTZTHPTDS-KRWDZBQOSA-N 0 0 426.651 6.159 50 0 IKAARN CCCCCCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CC(C)(C)OC3 ZINC000002272619 569217807 /nfs/dbraw/zinc/21/78/07/569217807.db2.gz GTOQCKYRDNVGAR-UHFFFAOYSA-N 0 0 426.630 6.426 50 0 IKAARN CCOC(=O)c1c(N)n(-c2ccc3c(c2)c2ccccc2n3CC)c2nc3ccccc3nc21 ZINC000002277013 569217892 /nfs/dbraw/zinc/21/78/92/569217892.db2.gz DMJCBHWYVKYYPX-UHFFFAOYSA-N 0 0 449.514 5.460 50 0 IKAARN O=S(=O)(N=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002279846 569218032 /nfs/dbraw/zinc/21/80/32/569218032.db2.gz OLZRPSWBOUWLSR-UHFFFAOYSA-N 0 0 444.792 6.256 50 0 IKAARN COc1cccc2cc(-c3nc(-c4ccc(Sc5ccccc5)cc4)cs3)c(=O)oc21 ZINC000027520365 569218045 /nfs/dbraw/zinc/21/80/45/569218045.db2.gz BADAFGSZPWPHCR-UHFFFAOYSA-N 0 0 443.549 6.743 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000027519659 569218075 /nfs/dbraw/zinc/21/80/75/569218075.db2.gz ZUMFRMMIBKVPRA-UHFFFAOYSA-N 0 0 441.358 6.796 50 0 IKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000027520476 569218089 /nfs/dbraw/zinc/21/80/89/569218089.db2.gz CJFNTPYPVZCFMB-JAIQZWGSSA-N 0 0 445.733 6.056 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000027521720 569218229 /nfs/dbraw/zinc/21/82/29/569218229.db2.gz CZFWLJVXMZAVLF-UHFFFAOYSA-N 0 0 428.713 5.515 50 0 IKAARN C/C(C=NNC(=O)c1cc(-c2ccccc2)nc2ccccc21)=C/c1ccc(C(C)C)cc1 ZINC000027520128 569218233 /nfs/dbraw/zinc/21/82/33/569218233.db2.gz GNBUENYQPVZKBH-SKRWZPTJSA-N 0 0 433.555 6.844 50 0 IKAARN COc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000027521187 569218256 /nfs/dbraw/zinc/21/82/56/569218256.db2.gz YOGYBUJGGJOQKU-XKZIYDEJSA-N 0 0 438.886 5.206 50 0 IKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2cccc(C)c2)cc1 ZINC000027521189 569218288 /nfs/dbraw/zinc/21/82/88/569218288.db2.gz MGCOUIBSSGKMGW-BWAHOGKJSA-N 0 0 430.523 5.886 50 0 IKAARN Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000027520970 569218329 /nfs/dbraw/zinc/21/83/29/569218329.db2.gz RCTGQOFWWZQHQO-BZZOAKBMSA-N 0 0 430.305 6.279 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000027521225 569218379 /nfs/dbraw/zinc/21/83/79/569218379.db2.gz PYOQCNKQFIKZLQ-UHFFFAOYSA-N 0 0 432.520 5.506 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1OC ZINC000027521218 569218450 /nfs/dbraw/zinc/21/84/50/569218450.db2.gz CKCVQOSFIOYPTA-UHFFFAOYSA-N 0 0 436.895 6.035 50 0 IKAARN COc1cc(OC)c2nc(C)c3c(c2c1)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C3 ZINC000001034646 569256446 /nfs/dbraw/zinc/25/64/46/569256446.db2.gz MJSXKYPETJHYCF-UHFFFAOYSA-N 0 0 431.414 5.127 50 0 IKAARN Cc1c2cc(Cl)ccc2sc1C(=O)CSc1nnc(SCC2CC2)s1 ZINC000002150432 569256512 /nfs/dbraw/zinc/25/65/12/569256512.db2.gz KACUDUPWUCIJOA-UHFFFAOYSA-N 0 0 427.041 6.192 50 0 IKAARN CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000014984307 569256772 /nfs/dbraw/zinc/25/67/72/569256772.db2.gz VKHAHZOOUSRJNA-MKFFEXNQSA-N 0 0 429.604 5.407 50 0 in-man IKAARN CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000015321161 569256785 /nfs/dbraw/zinc/25/67/85/569256785.db2.gz XRPYRCCVSZYAQT-UVNNMRLGSA-N 0 0 428.657 6.893 50 0 IKAARN O=C(N[C@H](Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000019798549 569256959 /nfs/dbraw/zinc/25/69/59/569256959.db2.gz GJANEYGSFOHLAT-FQEVSTJZSA-N 0 0 443.728 5.153 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@H]21 ZINC000019863217 569256987 /nfs/dbraw/zinc/25/69/87/569256987.db2.gz BDEMTNWIPSQHBK-NSYGIPOTSA-N 0 0 447.462 6.048 50 0 IKAARN CN1C(=O)COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(Cl)cc4)n3)cc21 ZINC000019862790 569257009 /nfs/dbraw/zinc/25/70/09/569257009.db2.gz BEZCGZMZSYMBEP-UHFFFAOYSA-N 0 0 426.903 6.091 50 0 IKAARN CN1C(=O)COc2ccc(-c3cc(-c4ccc(Cl)cc4)cc(-c4ccc(F)cc4)n3)cc21 ZINC000019862866 569257025 /nfs/dbraw/zinc/25/70/25/569257025.db2.gz VNNDXRUMEUSLED-UHFFFAOYSA-N 0 0 444.893 6.230 50 0 IKAARN Cc1ccc2occ([C@H]3Sc4ccccc4N=C4c5cc(C)ccc5OC[C@@H]43)c(=O)c2c1 ZINC000019863177 569257069 /nfs/dbraw/zinc/25/70/69/569257069.db2.gz HELOETTVEIIPCN-PPHZAIPVSA-N 0 0 439.536 6.386 50 0 IKAARN O=c1c2ccccc2occ1[C@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@H]21 ZINC000019908418 569257126 /nfs/dbraw/zinc/25/71/26/569257126.db2.gz MLLLQSLKMPVAOG-NSYGIPOTSA-N 0 0 429.472 5.909 50 0 IKAARN Cc1ccc2c(c1)-c1ncc(-c3c4ccccc4oc3C(=O)c3ccc(F)cc3)cc1CO2 ZINC000019898062 569257143 /nfs/dbraw/zinc/25/71/43/569257143.db2.gz ODEUUFDAXRPRTD-UHFFFAOYSA-N 0 0 435.454 6.733 50 0 IKAARN CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)[C@H](c1ccccc1)[C@H](C(C)(C)C)C2=O ZINC000019908372 569257182 /nfs/dbraw/zinc/25/71/82/569257182.db2.gz WAQKSWSPRIKOEP-DIIXFEDBSA-N 0 0 426.600 6.862 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)s4)=NN32)cc1 ZINC000019928237 569257238 /nfs/dbraw/zinc/25/72/38/569257238.db2.gz ZPZLWFQICUNQGT-JXFKEZNVSA-N 0 0 445.769 6.406 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)s4)=NN32)cc1 ZINC000019928239 569257244 /nfs/dbraw/zinc/25/72/44/569257244.db2.gz ZPZLWFQICUNQGT-OXJNMPFZSA-N 0 0 445.769 6.406 50 0 IKAARN Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)s4)=NN32)c1 ZINC000019928222 569257253 /nfs/dbraw/zinc/25/72/53/569257253.db2.gz ZQBFTPOMQDEVCR-UZLBHIALSA-N 0 0 429.314 5.892 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1OC ZINC000019928203 569257307 /nfs/dbraw/zinc/25/73/07/569257307.db2.gz MZHIGKRTMUGOIC-PXDATVDWSA-N 0 0 434.923 5.908 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000019928307 569257339 /nfs/dbraw/zinc/25/73/39/569257339.db2.gz LZQDMRJLASWJJJ-ZEQRLZLVSA-N 0 0 444.897 5.939 50 0 IKAARN CC(C)[C@@H]1CC[C@]2(C)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 ZINC000025549658 569257432 /nfs/dbraw/zinc/25/74/32/569257432.db2.gz HEYPZYMGRBQTOH-JRMSDDHXSA-N 0 0 426.729 8.313 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000019928305 569257434 /nfs/dbraw/zinc/25/74/34/569257434.db2.gz LZQDMRJLASWJJJ-RPWUZVMVSA-N 0 0 444.897 5.939 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3C2CCCCC2)cc1 ZINC000025576581 569257440 /nfs/dbraw/zinc/25/74/40/569257440.db2.gz UHFYHZVFSDUZRR-GMAHTHKFSA-N 0 0 431.363 6.452 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000026772050 569257554 /nfs/dbraw/zinc/25/75/54/569257554.db2.gz AVKOXLQFEXCUQS-YLHZAKKZSA-N 0 0 447.575 5.447 50 0 biogenic IKAARN CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2nc(C)cc(C)n21 ZINC000035615745 569257634 /nfs/dbraw/zinc/25/76/34/569257634.db2.gz MNMNRVCCXKXTGN-UHFFFAOYSA-N 0 0 432.524 5.350 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H]([C@H](C)C(=O)CCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000036371709 569257731 /nfs/dbraw/zinc/25/77/31/569257731.db2.gz UOYOJYKLYHOIHZ-YKRGQXQQSA-N 0 0 442.684 7.139 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036352125 569257755 /nfs/dbraw/zinc/25/77/55/569257755.db2.gz NAYSTQYIMRWPFE-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN CC(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 ZINC000036371278 569257756 /nfs/dbraw/zinc/25/77/56/569257756.db2.gz UBLNLUPLUKPSPP-IKEKUZPUSA-N 0 0 428.745 8.105 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C(C)(C)C(=O)C(C)(C)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043758319 569257821 /nfs/dbraw/zinc/25/78/21/569257821.db2.gz FJMOGZOGGOQQDM-MXXYQZSJSA-N 0 0 440.756 8.869 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000039942566 569257849 /nfs/dbraw/zinc/25/78/49/569257849.db2.gz LALAQRGFSWBMHR-OVDWBVIVSA-N 0 0 442.728 8.350 50 0 IKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043758801 569257894 /nfs/dbraw/zinc/25/78/94/569257894.db2.gz FDKJNVMJOZNFQP-BNKOHPLYSA-N 0 0 430.629 6.086 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100740525 569258672 /nfs/dbraw/zinc/25/86/72/569258672.db2.gz YJHUQNHKBJRDNA-IRLDBZIGSA-N 0 0 447.724 7.028 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2F)cc1 ZINC000100739818 569258692 /nfs/dbraw/zinc/25/86/92/569258692.db2.gz GYYYAKLPCFPAHB-IRLDBZIGSA-N 0 0 441.275 5.970 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H]1[C@H]([Si](C)(C)C)C1(c1ccccc1)c1ccccc1 ZINC000169828969 569258899 /nfs/dbraw/zinc/25/88/99/569258899.db2.gz UYFKPUBFKFZHOF-ZXTWZYEISA-N 0 0 448.723 7.315 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)C)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000256547576 569262955 /nfs/dbraw/zinc/26/29/55/569262955.db2.gz CZSGREWSSMQULY-WJUGFPRFSA-N 0 0 428.745 8.821 50 0 IKAARN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000257347288 569263065 /nfs/dbraw/zinc/26/30/65/569263065.db2.gz CMEBYDLSQUFGEM-HGWIXHRWSA-N 0 0 440.668 7.059 50 0 IKAARN CCCCOc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)cc1 ZINC000027527474 569263183 /nfs/dbraw/zinc/26/31/83/569263183.db2.gz HHGHQIKYKMJXSI-UHFFFAOYSA-N 0 0 447.922 5.280 50 0 IKAARN COc1ccc(-c2c3cc4c(cc3oc2-c2ccccc2)oc(=O)c2c4CCCC2)cc1F ZINC000002282132 569263344 /nfs/dbraw/zinc/26/33/44/569263344.db2.gz YSBUXCGYAZJGKY-UHFFFAOYSA-N 0 0 440.470 6.900 50 0 IKAARN Cc1ccc2nc(-c3ccc(N[C@]4(c5ccccc5)OC(=O)c5ccccc54)cc3)sc2c1 ZINC000002281557 569263362 /nfs/dbraw/zinc/26/33/62/569263362.db2.gz QPHKJBRWOBGBEA-MUUNZHRXSA-N 0 0 448.547 6.755 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCC4)c(Cl)c3N2)cc1 ZINC000027527854 569263455 /nfs/dbraw/zinc/26/34/55/569263455.db2.gz MLMZIBXVGVSKPU-GJZGRUSLSA-N 0 0 426.870 5.178 50 0 IKAARN CCOC(=O)c1c2c(sc1N1C(=O)Nc3cc(Cl)c(Cl)cc3N1O)CCCC2 ZINC000027527866 569263471 /nfs/dbraw/zinc/26/34/71/569263471.db2.gz ZCNSRPUWEKLTAE-UHFFFAOYSA-N 0 0 442.324 5.273 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC4CCCC4)c(Cl)c3N2)cc1 ZINC000027527857 569263480 /nfs/dbraw/zinc/26/34/80/569263480.db2.gz MLMZIBXVGVSKPU-HUUCEWRRSA-N 0 0 426.870 5.178 50 0 IKAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[C@@H](C(C)(C)C)C3 ZINC000002282398 569263499 /nfs/dbraw/zinc/26/34/99/569263499.db2.gz FECTWPOMXTUNFG-CQSZACIVSA-N 0 0 448.654 5.379 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)c1 ZINC000027528337 569263589 /nfs/dbraw/zinc/26/35/89/569263589.db2.gz AURLFFQHEMCTGE-UHFFFAOYSA-N 0 0 430.508 5.087 50 0 IKAARN CCCCCc1ccc(CC(=O)Nn2c(=O)c3ccccc3nc2-c2ccccc2F)cc1 ZINC000027528418 569263629 /nfs/dbraw/zinc/26/36/29/569263629.db2.gz BBTSSUTWSANMFP-UHFFFAOYSA-N 0 0 443.522 5.248 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002283442 569263730 /nfs/dbraw/zinc/26/37/30/569263730.db2.gz JEUARMZCGOGJAK-OAHLLOKOSA-N 0 0 430.639 6.193 50 0 IKAARN Cc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(Cl)c1 ZINC000002284170 569263738 /nfs/dbraw/zinc/26/37/38/569263738.db2.gz DTANTXJFJZKTHA-UHFFFAOYSA-N 0 0 439.342 6.148 50 0 IKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000257356821 569263844 /nfs/dbraw/zinc/26/38/44/569263844.db2.gz KNHGHMDIHVHLKX-VOLNYXFTSA-N 0 0 446.628 5.345 50 0 IKAARN O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)c1ccccc1 ZINC000002287186 569263975 /nfs/dbraw/zinc/26/39/75/569263975.db2.gz OOKPOCAJIJLIDC-UHFFFAOYSA-N 0 0 446.597 5.164 50 0 IKAARN COc1ccc([C@@H](Nc2ccc(Cl)c(Cl)c2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000002286154 569264027 /nfs/dbraw/zinc/26/40/27/569264027.db2.gz AGKHSPAWJHWEEK-FQEVSTJZSA-N 0 0 446.311 7.156 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc2cc(OC)ccc2c1 ZINC000002288703 569264142 /nfs/dbraw/zinc/26/41/42/569264142.db2.gz VGVHWVJYNLCEDB-UHFFFAOYSA-N 0 0 445.540 6.314 50 0 IKAARN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000253375747 569264189 /nfs/dbraw/zinc/26/41/89/569264189.db2.gz QUZJKKHHGAZCKG-ILBGXUMGSA-N 0 0 449.595 5.033 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1cccnc1 ZINC000002289504 569264409 /nfs/dbraw/zinc/26/44/09/569264409.db2.gz URVVKFIRRPFLES-UHFFFAOYSA-N 0 0 444.288 6.058 50 0 IKAARN Cc1cc(Cl)cc(C)c1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000002289492 569264412 /nfs/dbraw/zinc/26/44/12/569264412.db2.gz CESPWAALXDPXGE-UHFFFAOYSA-N 0 0 439.342 6.066 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccnc(OC5CCOCC5)c4)cc3)sc2c1 ZINC000253403356 569265074 /nfs/dbraw/zinc/26/50/74/569265074.db2.gz PSOKRWKMQOXTJM-UHFFFAOYSA-N 0 0 445.544 5.477 50 0 IKAARN Fc1ccc(OCc2nc(CN3CCC[C@H]3c3ccc(Br)cn3)cs2)cc1 ZINC000253411873 569265834 /nfs/dbraw/zinc/26/58/34/569265834.db2.gz VLAGJFQKXYYXGE-IBGZPJMESA-N 0 0 448.361 5.356 50 0 IKAARN CCCCc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccccc2OCC)cc1 ZINC000027532289 569266597 /nfs/dbraw/zinc/26/65/97/569266597.db2.gz FIIHBFJAECJKBG-UHFFFAOYSA-N 0 0 427.548 5.549 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccc2ccccc21 ZINC000027533436 569266971 /nfs/dbraw/zinc/26/69/71/569266971.db2.gz IVWFUBDZIRMDEV-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000027534507 569267773 /nfs/dbraw/zinc/26/77/73/569267773.db2.gz ZQOWJNDAQAKVIR-UHFFFAOYSA-N 0 0 428.250 5.084 50 0 IKAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002291179 569267896 /nfs/dbraw/zinc/26/78/96/569267896.db2.gz UTOPXYZRMRTIEG-UHFFFAOYSA-N 0 0 429.499 5.449 50 0 IKAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002290696 569267904 /nfs/dbraw/zinc/26/79/04/569267904.db2.gz DVSZEDKMNXJXLW-UHFFFAOYSA-N 0 0 445.954 5.430 50 0 IKAARN O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=NC1=Cc1ccsc1 ZINC000002290570 569267934 /nfs/dbraw/zinc/26/79/34/569267934.db2.gz OMTLBYPCWOHZOL-GIJQJNRQSA-N 0 0 443.753 6.644 50 0 IKAARN C[C@H]1CCCc2sc3nc(SCCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 ZINC000002293644 569268129 /nfs/dbraw/zinc/26/81/29/569268129.db2.gz HKVONZJQCHGVRA-KRWDZBQOSA-N 0 0 432.614 6.222 50 0 IKAARN CCn1c2nnc(SCCC(C)C)n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002294033 569268136 /nfs/dbraw/zinc/26/81/36/569268136.db2.gz HGQYSWLLAFOCOC-UHFFFAOYSA-N 0 0 436.625 5.474 50 0 biogenic IKAARN CCCc1nc2sc3c(ncnc3SCC(=O)c3ccccc3)c2c2c1CCCC2 ZINC000002294522 569268176 /nfs/dbraw/zinc/26/81/76/569268176.db2.gz OBABJXOCEYVLPK-UHFFFAOYSA-N 0 0 433.602 6.046 50 0 IKAARN Cn1c2nnc(SCc3ccccc3)n2c2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002292431 569268281 /nfs/dbraw/zinc/26/82/81/569268281.db2.gz HKBSCKUBGZACEN-OAHLLOKOSA-N 0 0 438.622 5.086 50 0 IKAARN Cc1c(OCC(=O)c2ccc3ccccc3c2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002297448 569268370 /nfs/dbraw/zinc/26/83/70/569268370.db2.gz WGWUMPUQPPGNFB-UHFFFAOYSA-N 0 0 448.518 6.416 50 0 IKAARN CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002299085 569268383 /nfs/dbraw/zinc/26/83/83/569268383.db2.gz QJLJZGFASRXWSK-UHFFFAOYSA-N 0 0 432.589 5.778 50 0 biogenic IKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@@H](C)CCC3 ZINC000002297643 569268389 /nfs/dbraw/zinc/26/83/89/569268389.db2.gz SDFNZMNSGGTSST-HNNXBMFYSA-N 0 0 438.622 5.673 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002299228 569268398 /nfs/dbraw/zinc/26/83/98/569268398.db2.gz ISNQCVNBUHBWEB-UHFFFAOYSA-N 0 0 449.645 6.549 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NC1CCCCC1 ZINC000002298641 569268399 /nfs/dbraw/zinc/26/83/99/569268399.db2.gz AZXDDNNQVQMPOG-UHFFFAOYSA-N 0 0 434.565 6.095 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002298699 569268406 /nfs/dbraw/zinc/26/84/06/569268406.db2.gz UMWOGTVLCQERFL-UHFFFAOYSA-N 0 0 425.536 5.085 50 0 IKAARN COc1ccccc1-n1c(=O)c2c(nc1SC(C)C)-c1ccccc1CC21CCCCC1 ZINC000002298482 569268426 /nfs/dbraw/zinc/26/84/26/569268426.db2.gz WWTRXHLKCPYDRZ-UHFFFAOYSA-N 0 0 446.616 6.167 50 0 biogenic IKAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000238950622 569268631 /nfs/dbraw/zinc/26/86/31/569268631.db2.gz ZBEVBUQYJMPPLL-UHFFFAOYSA-N 0 0 438.281 5.227 50 0 IKAARN CCOc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 ZINC000239121288 569268681 /nfs/dbraw/zinc/26/86/81/569268681.db2.gz JQJMUQPBYFANTJ-ZRBLBEILSA-N 0 0 429.318 6.448 50 0 IKAARN CCOc1ccc([C@]23Oc4ccccc4[C@H](c4ccccc4C)[C@H]2C3(Cl)Cl)cc1 ZINC000239248166 569268728 /nfs/dbraw/zinc/26/87/28/569268728.db2.gz YFTAIBWAZMMXLG-VXNXHJTFSA-N 0 0 425.355 6.617 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@]32CCOC(C)(C)C2)s1 ZINC000239296733 569268756 /nfs/dbraw/zinc/26/87/56/569268756.db2.gz DDWSVIYYHIDQKF-UWJYYQICSA-N 0 0 447.398 5.648 50 0 IKAARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccc(Br)c3)C2)c1 ZINC000240407403 569268979 /nfs/dbraw/zinc/26/89/79/569268979.db2.gz FLZDVLPQVWLPMK-IBGZPJMESA-N 0 0 441.350 5.511 50 0 IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000239761233 569269027 /nfs/dbraw/zinc/26/90/27/569269027.db2.gz CJFLULRJZIXYBT-KRWDZBQOSA-N 0 0 427.504 5.305 50 0 IKAARN COc1ccc(-c2nnc(SCc3csnn3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000239782565 569269031 /nfs/dbraw/zinc/26/90/31/569269031.db2.gz CPFXYSFBTAJUQO-UHFFFAOYSA-N 0 0 449.483 5.106 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2cncnc2)Cc2cccc(Cl)c2F)CC1 ZINC000241157290 569269042 /nfs/dbraw/zinc/26/90/42/569269042.db2.gz JWLYWFQKQHWPAP-LJQANCHMSA-N 0 0 448.970 5.061 50 0 IKAARN O=C(Nc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1 ZINC000242191260 569269140 /nfs/dbraw/zinc/26/91/40/569269140.db2.gz XECYHYMVLDBPFA-UHFFFAOYSA-N 0 0 434.926 7.475 50 0 IKAARN COc1cccc(C2=NN(C(=O)c3cccc(Br)c3)[C@H](c3ccccc3)C2)c1 ZINC000242304971 569269174 /nfs/dbraw/zinc/26/91/74/569269174.db2.gz YTRQDGMNKQIRJQ-QFIPXVFZSA-N 0 0 435.321 5.449 50 0 IKAARN Cc1ccccc1[C@@H]1CC(c2cccc(N(C)C)c2)=NN1C(=S)NCc1ccccc1 ZINC000241707064 569269180 /nfs/dbraw/zinc/26/91/80/569269180.db2.gz QMIALGYQZVIOMQ-VWLOTQADSA-N 0 0 428.605 5.287 50 0 IKAARN Cc1ccc(N2[C@@H]3CC(C)(C)CC(=O)[C@@H]3[C@@H](c3cnn(C)c3)[C@@H]3C(=O)CC(C)(C)C[C@@H]32)cc1 ZINC000244601753 569269332 /nfs/dbraw/zinc/26/93/32/569269332.db2.gz DRHWKDJCLCOTQJ-JKSFOSRISA-N 0 0 447.623 5.080 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)C2CCCC2)c1 ZINC000245226062 569269392 /nfs/dbraw/zinc/26/93/92/569269392.db2.gz GXAPBFIBEHYHFO-SWYRRKHMSA-N 0 0 435.564 5.978 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)c2ccco2)c1 ZINC000245226389 569269458 /nfs/dbraw/zinc/26/94/58/569269458.db2.gz UOWXKHBODKGGSD-WYEJZRMESA-N 0 0 433.504 5.695 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)C2CCCC2)c1 ZINC000245226063 569269459 /nfs/dbraw/zinc/26/94/59/569269459.db2.gz GXAPBFIBEHYHFO-YPCDYVTLSA-N 0 0 435.564 5.978 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000245238420 569269575 /nfs/dbraw/zinc/26/95/75/569269575.db2.gz NQPPCBDIQANLQL-YKSBVNFPSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000245242002 569269707 /nfs/dbraw/zinc/26/97/07/569269707.db2.gz WCRYHSNIGWWFMM-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN NC1=C(c2ccccc2)[S@](=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3)c21 ZINC000245256368 569269714 /nfs/dbraw/zinc/26/97/14/569269714.db2.gz PSCMSNVGCKPEJP-WJOKGBTCSA-N 0 0 425.509 6.177 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000245241635 569269717 /nfs/dbraw/zinc/26/97/17/569269717.db2.gz LWTDUWPNTJNGAZ-CPJSRVTESA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(F)c2)cc1OC ZINC000245257063 569269842 /nfs/dbraw/zinc/26/98/42/569269842.db2.gz WCOMJRICIWCVNA-YKSBVNFPSA-N 0 0 438.886 5.739 50 0 IKAARN CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000245380172 569269937 /nfs/dbraw/zinc/26/99/37/569269937.db2.gz SLBKHXVFFDZUIS-IQOKHDRSSA-N 0 0 434.536 5.015 50 0 IKAARN O[C@@H]1c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000247747762 569270024 /nfs/dbraw/zinc/27/00/24/569270024.db2.gz QWYCALYVYWPWLT-ZBCYHBTNSA-N 0 0 434.535 5.006 50 0 IKAARN CCc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000248111441 569270342 /nfs/dbraw/zinc/27/03/42/569270342.db2.gz SHHLEVRNEZZXGT-NOZRDPDXSA-N 0 0 447.376 6.562 50 0 IKAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CC[C@H](Cc3ccccc3)C[C@H]12 ZINC000248053088 569270345 /nfs/dbraw/zinc/27/03/45/569270345.db2.gz XSQHHQMZTNHFGM-FNHKZSGOSA-N 0 0 435.571 5.480 50 0 IKAARN O=C1c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000248069064 569270374 /nfs/dbraw/zinc/27/03/74/569270374.db2.gz XIHNGQBYDVKORK-XCJPRDNLSA-N 0 0 432.519 5.156 50 0 IKAARN c1ccc(C[C@]23N=N[C@](Cc4ccccc4)([C@H]4c5ccccc5[C@H]42)[C@@H]2c4ccccc4[C@H]23)cc1 ZINC000248076351 569270375 /nfs/dbraw/zinc/27/03/75/569270375.db2.gz IQRJNKFXXMODER-IPEBRSQISA-N 0 0 438.574 7.191 50 0 IKAARN O=C1c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000248069057 569270387 /nfs/dbraw/zinc/27/03/87/569270387.db2.gz XIHNGQBYDVKORK-BTLFQFMLSA-N 0 0 432.519 5.156 50 0 IKAARN c1ccc(C[C@]23N=N[C@](Cc4ccccc4)([C@H]4c5ccccc5[C@H]42)[C@@H]2c4ccccc4[C@@H]23)cc1 ZINC000248077358 569270426 /nfs/dbraw/zinc/27/04/26/569270426.db2.gz IQRJNKFXXMODER-YZDYSIASSA-N 0 0 438.574 7.191 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(Cl)cc2)cc1OC ZINC000248146127 569270457 /nfs/dbraw/zinc/27/04/57/569270457.db2.gz WMPBXJROCGQPSD-CPJSRVTESA-N 0 0 448.906 5.110 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000248183456 569270706 /nfs/dbraw/zinc/27/07/06/569270706.db2.gz FYVSKJMOXGOXNM-GMAHTHKFSA-N 0 0 443.305 6.383 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)c1 ZINC000248256866 569270766 /nfs/dbraw/zinc/27/07/66/569270766.db2.gz SUCUEGGCGSMLNP-GMAHTHKFSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2c(F)cccc2Cl)cc1 ZINC000248265031 569270790 /nfs/dbraw/zinc/27/07/90/569270790.db2.gz YONHAASWKKKLHS-OFNKIYASSA-N 0 0 443.305 6.383 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(F)ccc2Cl)cc1 ZINC000248249810 569270792 /nfs/dbraw/zinc/27/07/92/569270792.db2.gz OOEJEUARCWJDAD-GMAHTHKFSA-N 0 0 443.305 6.383 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)c1 ZINC000248260075 569270811 /nfs/dbraw/zinc/27/08/11/569270811.db2.gz VNDXCIRJPYCTHW-NQIIRXRSSA-N 0 0 441.350 5.762 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)c1 ZINC000248263153 569270833 /nfs/dbraw/zinc/27/08/33/569270833.db2.gz XRHXGICKFIGAPT-GGAORHGYSA-N 0 0 441.369 5.908 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2cccc(F)c2)cc1 ZINC000248380948 569270929 /nfs/dbraw/zinc/27/09/29/569270929.db2.gz RQZYOSJDZGDWNG-OZXSUGGESA-N 0 0 432.495 5.865 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2OC)cc1 ZINC000248381735 569270973 /nfs/dbraw/zinc/27/09/73/569270973.db2.gz UWWQCXXZHASYQG-GJZUVCINSA-N 0 0 430.504 5.345 50 0 IKAARN O=C1c2cc3c(cc2[C@@H]2C[C@@H](OCc4ccccc4)C=C[C@H]2N1Cc1ccccc1)OCO3 ZINC000252494181 569271340 /nfs/dbraw/zinc/27/13/40/569271340.db2.gz NNEHPIVKHTYVNA-UMXIMWEHSA-N 0 0 439.511 5.069 50 0 IKAARN O=C(COC(=O)c1cc(Cl)nc2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000002303703 569271497 /nfs/dbraw/zinc/27/14/97/569271497.db2.gz IYLSLSHIKVVTEM-UHFFFAOYSA-N 0 0 431.875 5.507 50 0 IKAARN CC1=C(OC(=O)c2ccc(Br)cc2)C(C)(C)[C@@H](c2ccc(Cl)cc2)OC1=O ZINC000002304045 569271556 /nfs/dbraw/zinc/27/15/56/569271556.db2.gz 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50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2c(C)cc(Cl)cc2C)cc1 ZINC000002348008 569281100 /nfs/dbraw/zinc/28/11/00/569281100.db2.gz JDNUXPSLIKALEE-UHFFFAOYSA-N 0 0 448.950 5.811 50 0 IKAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2ccc(OCc3ccccc3F)cc2oc1=O ZINC000002346975 569281106 /nfs/dbraw/zinc/28/11/06/569281106.db2.gz SYPZAJRWSFBANN-UHFFFAOYSA-N 0 0 444.414 5.293 50 0 IKAARN CC(C)(C)c1cc(C(C)(C)C)c(O)c(-c2c(O)c(C(C)(C)C)cc(C(C)(C)C)c2O)c1O ZINC000261507700 569282310 /nfs/dbraw/zinc/28/23/10/569282310.db2.gz LHZNRPXICKUFLX-UHFFFAOYSA-N 0 0 442.640 7.366 50 0 IKAARN O=C(Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1)c1ccc(F)cc1 ZINC000263639806 569282457 /nfs/dbraw/zinc/28/24/57/569282457.db2.gz JPESKCNYWKEWHC-UHFFFAOYSA-N 0 0 433.792 6.065 50 0 IKAARN O=c1cc(-c2ccccc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1 ZINC000002350873 569282686 /nfs/dbraw/zinc/28/26/86/569282686.db2.gz LGYLCMNQOPQAFS-UHFFFAOYSA-N 0 0 434.491 6.618 50 0 biogenic IKAARN COc1cccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccccc2C)c1 ZINC000002350285 569282706 /nfs/dbraw/zinc/28/27/06/569282706.db2.gz ADPJHIYQHJPOBC-UHFFFAOYSA-N 0 0 439.515 5.086 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253498486 569283150 /nfs/dbraw/zinc/28/31/50/569283150.db2.gz AHQGBTJUQBJWCN-KMKVHQATSA-N 0 0 436.592 6.107 50 0 IKAARN CO[C@@H]1C=C2CC[C@@H]3[C@H]4CC[C@@](O)(CSc5nccn5C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253499636 569283402 /nfs/dbraw/zinc/28/34/02/569283402.db2.gz BNOQCYMVNKKTQV-FFBGOSLXSA-N 0 0 430.658 5.221 50 0 IKAARN CO[C@H]1C=C2CC[C@@H]3[C@H]4CC[C@@](O)(CSc5nccn5C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253499640 569283438 /nfs/dbraw/zinc/28/34/38/569283438.db2.gz BNOQCYMVNKKTQV-HXMBAQKSSA-N 0 0 430.658 5.221 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1Cl)N(c1ccc(C)cc1)[C@H](O)C2 ZINC000299804389 569283646 /nfs/dbraw/zinc/28/36/46/569283646.db2.gz ZVLSZTMWFVUJKU-ISKFKSNPSA-N 0 0 444.358 5.790 50 0 IKAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4C[C@@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000299804229 569283665 /nfs/dbraw/zinc/28/36/65/569283665.db2.gz KEOLCBLQBIWDBI-SYXDAPIKSA-N 0 0 446.672 5.155 50 0 IKAARN Cc1ccccc1-c1cs/c(=N/CC(=O)N(c2ccccc2)C(C)C)n1-c1ccccc1 ZINC000299804269 569283709 /nfs/dbraw/zinc/28/37/09/569283709.db2.gz NKQWPDPWXWAQMF-BYYHNAKLSA-N 0 0 441.600 5.857 50 0 IKAARN CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000002352644 569284303 /nfs/dbraw/zinc/28/43/03/569284303.db2.gz SOJKJWFQCFBEPQ-DFXYEROKSA-N 0 0 441.336 6.133 50 0 IKAARN CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002352643 569284341 /nfs/dbraw/zinc/28/43/41/569284341.db2.gz SOJKJWFQCFBEPQ-URAOTHONSA-N 0 0 441.336 6.133 50 0 IKAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000253623813 569284592 /nfs/dbraw/zinc/28/45/92/569284592.db2.gz MYEZOFKRGIJBLD-LJQANCHMSA-N 0 0 449.462 5.463 50 0 biogenic IKAARN Cn1c(=N)n(CC(=O)c2ccc(-c3ccccc3)cc2)cc1-c1cccc(Br)c1 ZINC000334157492 569285708 /nfs/dbraw/zinc/28/57/08/569285708.db2.gz BRGIZQKORDVOPQ-UHFFFAOYSA-N 0 0 446.348 5.285 50 0 IKAARN COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2Cc2ccccc2)c1 ZINC000334163436 569285836 /nfs/dbraw/zinc/28/58/36/569285836.db2.gz SBMOJEOJJMYOLT-QHCPKHFHSA-N 0 0 426.516 5.716 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002354504 569285847 /nfs/dbraw/zinc/28/58/47/569285847.db2.gz NSLYFKLCKKAWIO-GOSISDBHSA-N 0 0 435.531 5.264 50 0 IKAARN O=C1CC[C@H](c2c3ccccc3[nH]c2-c2ccc(Br)cc2)N1Cc1ccccc1 ZINC000334163566 569285875 /nfs/dbraw/zinc/28/58/75/569285875.db2.gz XHCTVCBPWABNCI-JOCHJYFZSA-N 0 0 445.360 6.461 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000002355045 569285885 /nfs/dbraw/zinc/28/58/85/569285885.db2.gz KVTSNKMUWUWIHQ-UHFFFAOYSA-N 0 0 445.906 5.122 50 0 IKAARN CC(C)CCSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000002356009 569285921 /nfs/dbraw/zinc/28/59/21/569285921.db2.gz HZCTZFJREBCTBB-UHFFFAOYSA-N 0 0 435.412 6.449 50 0 IKAARN Cc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(I)c2oc1=O ZINC000002358310 569285957 /nfs/dbraw/zinc/28/59/57/569285957.db2.gz QJWFKFUCWRHTGC-UHFFFAOYSA-N 0 0 440.664 5.247 50 0 IKAARN COc1ccc(CCNc2ncnc3c4c5c(c(CC(C)C)nc4oc32)CCC5)cc1OC ZINC000002358368 569285992 /nfs/dbraw/zinc/28/59/92/569285992.db2.gz VLIAWLKNJJZQCZ-UHFFFAOYSA-N 0 0 446.551 5.130 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccco2)cc1C ZINC000002358881 569286092 /nfs/dbraw/zinc/28/60/92/569286092.db2.gz BHGCVSPDLZEJIY-UHFFFAOYSA-N 0 0 433.895 5.323 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2cccc(C)c2C)cc1 ZINC000002359177 569286095 /nfs/dbraw/zinc/28/60/95/569286095.db2.gz FXDGAYOIGMCYCL-UHFFFAOYSA-N 0 0 442.559 5.938 50 0 IKAARN COC(=O)COc1ccc(-c2nnc(Nc3cccc4ccccc43)c3ccccc32)cc1 ZINC000002360394 569286870 /nfs/dbraw/zinc/28/68/70/569286870.db2.gz VUDCJFWWTLHSRF-UHFFFAOYSA-N 0 0 435.483 5.745 50 0 IKAARN Cc1ccc([C@H](Nc2ccccc2)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1 ZINC000002361798 569287628 /nfs/dbraw/zinc/28/76/28/569287628.db2.gz FKURNLGZJPIJHL-AREMUKBSSA-N 0 0 441.552 7.997 50 0 IKAARN CCOc1ccc(-c2nnc(Nc3ccc(C(=O)N(CC)CC)cc3)c3ccccc32)cc1 ZINC000002363594 569287821 /nfs/dbraw/zinc/28/78/21/569287821.db2.gz PQLYYNJBEWKVRH-UHFFFAOYSA-N 0 0 440.547 5.921 50 0 IKAARN O=C(CC1(n2cccc2)CCSCC1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252489825 569288076 /nfs/dbraw/zinc/28/80/76/569288076.db2.gz KBQNWNZOILHASK-QHCPKHFHSA-N 0 0 444.604 5.077 50 0 IKAARN Cc1ccc(COc2ccc(-c3nc(N)nc(C)c3-c3ccc(Cl)cc3)c(O)c2)cc1 ZINC000002365752 569288341 /nfs/dbraw/zinc/28/83/41/569288341.db2.gz AEHZCKCAZYZDRQ-UHFFFAOYSA-N 0 0 431.923 5.948 50 0 IKAARN O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000253402068 569288961 /nfs/dbraw/zinc/28/89/61/569288961.db2.gz FZYHCSHDXOHXNY-JOCHJYFZSA-N 0 0 443.374 5.285 50 0 IKAARN O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000253402069 569289007 /nfs/dbraw/zinc/28/90/07/569289007.db2.gz FZYHCSHDXOHXNY-QFIPXVFZSA-N 0 0 443.374 5.285 50 0 IKAARN CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000002371302 569289018 /nfs/dbraw/zinc/28/90/18/569289018.db2.gz MWFOKAYITOYHQX-HLADLETHSA-N 0 0 442.927 6.547 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1OCc1ccc(Cl)cc1 ZINC000002372274 569289240 /nfs/dbraw/zinc/28/92/40/569289240.db2.gz NFGFLZSEWKGWJU-UHFFFAOYSA-N 0 0 443.355 5.624 50 0 IKAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)o1 ZINC000002374901 569289361 /nfs/dbraw/zinc/28/93/61/569289361.db2.gz ZYZYKNZCQQJEIX-SFHVURJKSA-N 0 0 429.517 5.310 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cccc(C)c2C)cc1 ZINC000002375667 569289372 /nfs/dbraw/zinc/28/93/72/569289372.db2.gz FFDLACMVRUKURE-UHFFFAOYSA-N 0 0 428.532 5.548 50 0 IKAARN COc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000002376987 569289387 /nfs/dbraw/zinc/28/93/87/569289387.db2.gz ZUYBAFBQZTUBHN-QHCPKHFHSA-N 0 0 445.588 5.317 50 0 IKAARN COc1ccc(C(=O)N[C@H](CCSC)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000002376989 569289443 /nfs/dbraw/zinc/28/94/43/569289443.db2.gz ZUYBAFBQZTUBHN-HSZRJFAPSA-N 0 0 445.588 5.317 50 0 IKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4nccs4)sc3nc3c2CCCCC3)cc1 ZINC000002378059 569289556 /nfs/dbraw/zinc/28/95/56/569289556.db2.gz YTRRMTGUTAMHDU-UHFFFAOYSA-N 0 0 434.590 5.832 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1nncs1)C3=O ZINC000002377804 569289610 /nfs/dbraw/zinc/28/96/10/569289610.db2.gz VRWAZTHOSRSSMK-MRXNPFEDSA-N 0 0 444.299 5.010 50 0 IKAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000002378138 569289725 /nfs/dbraw/zinc/28/97/25/569289725.db2.gz RJIZKIVEFVWZOO-HNNXBMFYSA-N 0 0 446.400 6.281 50 0 IKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)c1ccccc1Cl ZINC000585655886 569289954 /nfs/dbraw/zinc/28/99/54/569289954.db2.gz ZWUZPDVSVHHIHD-UHFFFAOYSA-N 0 0 444.800 6.823 50 0 IKAARN FC(F)(F)c1nn(-c2ccccc2)c(-c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000008855264 569291161 /nfs/dbraw/zinc/29/11/61/569291161.db2.gz RXRJFUGXOVCCKW-UHFFFAOYSA-N 0 0 428.841 6.791 50 0 IKAARN Cc1ccc(CSc2nnc(C[S@@](=O)Cc3c(Cl)cccc3Cl)n2C)cc1 ZINC000008855292 569291189 /nfs/dbraw/zinc/29/11/89/569291189.db2.gz QQGYKTAYQFQZMB-HHHXNRCGSA-N 0 0 440.421 5.172 50 0 IKAARN O=C(c1oc2ccccc2c1C[S@](=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008857020 569291300 /nfs/dbraw/zinc/29/13/00/569291300.db2.gz NOUGAEKQDCROGD-MUUNZHRXSA-N 0 0 429.324 6.278 50 0 IKAARN CN(C(=S)Nc1cccc(C(F)(F)F)c1)[C@H]1c2c(ccc3ccccc32)OC[C@H]1CO ZINC000008855486 569291359 /nfs/dbraw/zinc/29/13/59/569291359.db2.gz VKQHJJIKSPAOQL-QVKFZJNVSA-N 0 0 446.494 5.229 50 0 IKAARN Cc1ccccc1Oc1nc(-c2ccccc2)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008855500 569291379 /nfs/dbraw/zinc/29/13/79/569291379.db2.gz YSEPORGMKAOKIW-UHFFFAOYSA-N 0 0 449.959 6.644 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)c2ccccc2n1-c1ncc(C(F)(F)F)cc1Cl ZINC000008857094 569291415 /nfs/dbraw/zinc/29/14/15/569291415.db2.gz BNDGBGFDGOOHAU-UHFFFAOYSA-N 0 0 444.840 6.541 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)OCc1cccnc1Sc1ccccc1Cl ZINC000008857076 569291417 /nfs/dbraw/zinc/29/14/17/569291417.db2.gz LTMLGHVZVQCOHT-UHFFFAOYSA-N 0 0 438.858 6.654 50 0 IKAARN Fc1cccc(Cl)c1COc1cccc(-c2ccn(Cc3cccc(Cl)c3)n2)c1 ZINC000008857170 569291467 /nfs/dbraw/zinc/29/14/67/569291467.db2.gz RDSKLWHPSHBESJ-UHFFFAOYSA-N 0 0 427.306 6.623 50 0 IKAARN Clc1cc(Cl)c(-n2ccnc2SCc2ccccc2)cc1OCc1ccccc1 ZINC000008857280 569291489 /nfs/dbraw/zinc/29/14/89/569291489.db2.gz WQXAHPKAMYUNJQ-UHFFFAOYSA-N 0 0 441.383 7.050 50 0 IKAARN Cc1cccc(NC(=O)c2c(-c3ccccc3)c3c4n2cc(-c2ccccc2)n4CCCC3)c1 ZINC000002380243 569291508 /nfs/dbraw/zinc/29/15/08/569291508.db2.gz TZZMFCBHLHSKGE-UHFFFAOYSA-N 0 0 445.566 6.972 50 0 IKAARN Cn1c2ccccc2c(C(=O)Nc2ccc(Cl)cc2)c1Sc1cccc(Cl)c1 ZINC000008857352 569291573 /nfs/dbraw/zinc/29/15/73/569291573.db2.gz BLNDHLGODLLQQB-UHFFFAOYSA-N 0 0 427.356 6.889 50 0 IKAARN Cc1ccc(Sc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008873427 569291656 /nfs/dbraw/zinc/29/16/56/569291656.db2.gz AXSVOVWVUFSSNV-UHFFFAOYSA-N 0 0 432.570 5.744 50 0 IKAARN Clc1ccc(CSc2nc3c(c(Sc4ccc(Cl)cc4)n2)CCCC3)cc1 ZINC000008873078 569291670 /nfs/dbraw/zinc/29/16/70/569291670.db2.gz DEDLWPYTKUIZST-UHFFFAOYSA-N 0 0 433.429 7.106 50 0 IKAARN COc1cccc(Sc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccccc2)c1 ZINC000008873429 569291719 /nfs/dbraw/zinc/29/17/19/569291719.db2.gz WGYOJBONGZTQET-UHFFFAOYSA-N 0 0 434.542 5.136 50 0 IKAARN O=C(Nc1c(Cl)cccc1Cl)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000008887846 569291989 /nfs/dbraw/zinc/29/19/89/569291989.db2.gz VNUWGUDJGHUNBB-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN O=C(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1Cl ZINC000008888297 569292101 /nfs/dbraw/zinc/29/21/01/569292101.db2.gz INFAOCQGZBDZCY-KPKJPENVSA-N 0 0 425.340 7.026 50 0 IKAARN Cc1sc(NC(=O)COc2ccc(C)cc2Br)nc1-c1ccc(C)cc1 ZINC000027698673 569292353 /nfs/dbraw/zinc/29/23/53/569292353.db2.gz QURBSZGSECGBMA-UHFFFAOYSA-N 0 0 431.355 5.515 50 0 IKAARN Cc1ccc(C)c([S@@](=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000008925801 569292448 /nfs/dbraw/zinc/29/24/48/569292448.db2.gz IIEMZTDDLUIKAO-HHHXNRCGSA-N 0 0 439.389 5.480 50 0 IKAARN Cc1ccc(CSc2nc3c(sc4nc(C)cc(C)c43)c(Oc3ccccc3)n2)cc1 ZINC000008925866 569292488 /nfs/dbraw/zinc/29/24/88/569292488.db2.gz JUTUUHXPLXFSFQ-UHFFFAOYSA-N 0 0 443.597 7.249 50 0 IKAARN COCCOc1cc(-n2nc(C)c(-c3ccc(Cl)cc3)c2N)c(Cl)cc1Cl ZINC000008925809 569292489 /nfs/dbraw/zinc/29/24/89/569292489.db2.gz DMAKRGJIVIWGEE-UHFFFAOYSA-N 0 0 426.731 5.415 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc12 ZINC000002382980 569293639 /nfs/dbraw/zinc/29/36/39/569293639.db2.gz XKQBPRHPYNRBAN-KRWDZBQOSA-N 0 0 444.579 6.262 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 ZINC000002382977 569293654 /nfs/dbraw/zinc/29/36/54/569293654.db2.gz XKQBPRHPYNRBAN-QGZVFWFLSA-N 0 0 444.579 6.262 50 0 IKAARN CC(C)=CCSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 ZINC000002384368 569294238 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Cc1cccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000013108932 569310226 /nfs/dbraw/zinc/31/02/26/569310226.db2.gz NGVUJMXYSKJBHG-UHFFFAOYSA-N 0 0 441.478 6.084 50 0 IKAARN CC(C)Cc1nnc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)s1 ZINC000013109500 569310241 /nfs/dbraw/zinc/31/02/41/569310241.db2.gz SEEHIRHIYAQBLY-UHFFFAOYSA-N 0 0 437.590 6.169 50 0 IKAARN COc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(Cl)c1OC(C)C ZINC000013109660 569310331 /nfs/dbraw/zinc/31/03/31/569310331.db2.gz YBTKGVZRIRVRFT-UHFFFAOYSA-N 0 0 444.984 5.765 50 0 IKAARN Cc1ccc(-n2nnnc2SCc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)cc1 ZINC000013109735 569310394 /nfs/dbraw/zinc/31/03/94/569310394.db2.gz DQHMDFLJJOEKEC-FQEVSTJZSA-N 0 0 440.525 5.071 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NCCc1cccs1 ZINC000013112892 569310499 /nfs/dbraw/zinc/31/04/99/569310499.db2.gz GFPUHVJCSOFHQO-UHFFFAOYSA-N 0 0 447.029 5.226 50 0 IKAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013113052 569310570 /nfs/dbraw/zinc/31/05/70/569310570.db2.gz ZMXULJXAAZBIEN-KRWDZBQOSA-N 0 0 430.533 5.170 50 0 IKAARN Fc1ccccc1N1CCN(c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)CC1 ZINC000013114421 569310653 /nfs/dbraw/zinc/31/06/53/569310653.db2.gz VNRZAJNDJGJKRR-UHFFFAOYSA-N 0 0 433.918 5.053 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013113155 569310655 /nfs/dbraw/zinc/31/06/55/569310655.db2.gz PEWZJQRWZHEXDI-INIZCTEOSA-N 0 0 449.507 5.574 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1 ZINC000013113073 569310673 /nfs/dbraw/zinc/31/06/73/569310673.db2.gz JRYOGFZPJRKEDU-KBPBESRZSA-N 0 0 425.485 5.502 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000013114560 569310773 /nfs/dbraw/zinc/31/07/73/569310773.db2.gz HRXVWKLPTPTRAB-UHFFFAOYSA-N 0 0 449.528 5.288 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C1CC1 ZINC000013117071 569310840 /nfs/dbraw/zinc/31/08/40/569310840.db2.gz LSJBHBOMQOZQPY-UHFFFAOYSA-N 0 0 427.892 5.415 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000013116024 569310913 /nfs/dbraw/zinc/31/09/13/569310913.db2.gz HXVPZCXDQUAHHH-UHFFFAOYSA-N 0 0 429.549 5.356 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000013120405 569311018 /nfs/dbraw/zinc/31/10/18/569311018.db2.gz ZBTDLRARAOMNSE-QFIPXVFZSA-N 0 0 436.874 5.333 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000013117933 569311044 /nfs/dbraw/zinc/31/10/44/569311044.db2.gz VPFYLLBIDKHFQV-HXUWFJFHSA-N 0 0 444.556 5.554 50 0 IKAARN O=Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000013139393 569311639 /nfs/dbraw/zinc/31/16/39/569311639.db2.gz NBOBGBQOWWSZBX-SANMLTNESA-N 0 0 434.495 5.409 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n[nH]2)cc1 ZINC000013141874 569311794 /nfs/dbraw/zinc/31/17/94/569311794.db2.gz UOSAHQMXULNHSU-UHFFFAOYSA-N 0 0 426.851 5.183 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000013141051 569311825 /nfs/dbraw/zinc/31/18/25/569311825.db2.gz ZCOPKQBJZXBXBV-UHFFFAOYSA-N 0 0 440.878 5.287 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000013146457 569311942 /nfs/dbraw/zinc/31/19/42/569311942.db2.gz WUOMJPJABZSELU-UHFFFAOYSA-N 0 0 427.529 5.539 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(CC)cc3)nc3ccccc3c2=O)cc1 ZINC000013148415 569312073 /nfs/dbraw/zinc/31/20/73/569312073.db2.gz ZWOYRSUGZHMQRZ-UHFFFAOYSA-N 0 0 444.556 5.322 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(Br)cc3)c2n1 ZINC000013148882 569312155 /nfs/dbraw/zinc/31/21/55/569312155.db2.gz JDAAVIUKHZQZMH-UHFFFAOYSA-N 0 0 440.124 5.630 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C3CCCCC3)C3CCCCC3)c2n1 ZINC000013148912 569312180 /nfs/dbraw/zinc/31/21/80/569312180.db2.gz IFHCCIGCOPDWTI-UHFFFAOYSA-N 0 0 449.422 6.723 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccco3)nc2-c2ccc(C)cc2)cc1 ZINC000013164390 569312312 /nfs/dbraw/zinc/31/23/12/569312312.db2.gz HKWYJEDMQUSMGY-UHFFFAOYSA-N 0 0 444.560 5.166 50 0 IKAARN O=C(C1CCCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456319 569312601 /nfs/dbraw/zinc/31/26/01/569312601.db2.gz ZERIXBCOBPAKFX-NRFANRHFSA-N 0 0 445.332 5.039 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccccc1C ZINC000013283351 569312602 /nfs/dbraw/zinc/31/26/02/569312602.db2.gz AANDLIYJWBLFGE-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)NCCc1ccccc1 ZINC000013283350 569312608 /nfs/dbraw/zinc/31/26/08/569312608.db2.gz FQOKSPCMGBNPBG-UHFFFAOYSA-N 0 0 442.632 5.342 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc32)Cc2cccnc2)cc1 ZINC000013283363 569312623 /nfs/dbraw/zinc/31/26/23/569312623.db2.gz HYAJJYHVAFPHBX-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1cccnc1 ZINC000013283361 569312628 /nfs/dbraw/zinc/31/26/28/569312628.db2.gz IDFJUPAYJRAGTR-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2ccncc2)c1 ZINC000013283335 569312629 /nfs/dbraw/zinc/31/26/29/569312629.db2.gz BUYGIHZZGLFHDN-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2cccnc2)c1 ZINC000013283325 569312631 /nfs/dbraw/zinc/31/26/31/569312631.db2.gz DPTUCPFSRFKXLZ-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)c2c1 ZINC000013283401 569312723 /nfs/dbraw/zinc/31/27/23/569312723.db2.gz LAZYPECNSHBBRX-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)Nc3cccc(F)c3)c2c1 ZINC000013283414 569312729 /nfs/dbraw/zinc/31/27/29/569312729.db2.gz HWVWMGDLNDNIGZ-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccccc1 ZINC000013283388 569312732 /nfs/dbraw/zinc/31/27/32/569312732.db2.gz MHQPNLZLZLXVSN-UHFFFAOYSA-N 0 0 434.996 5.966 50 0 IKAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000013284041 569312738 /nfs/dbraw/zinc/31/27/38/569312738.db2.gz UTQJEEDHMGXPAX-UHFFFAOYSA-N 0 0 427.835 5.155 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc32)Cc2ccncc2)c1 ZINC000013283370 569312750 /nfs/dbraw/zinc/31/27/50/569312750.db2.gz QEDVFNWZHXNGOB-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN Cc1ccc(N[P@@]2(=O)C3=C(N4CCCCC4)CC(C)(C)CC3=NN2c2ccccc2)cc1 ZINC000013303004 569312785 /nfs/dbraw/zinc/31/27/85/569312785.db2.gz UAOKUYBEMUCFFA-YTTGMZPUSA-N 0 0 448.551 6.994 50 0 IKAARN Cc1ccccc1NP(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000013305182 569312924 /nfs/dbraw/zinc/31/29/24/569312924.db2.gz ZXCSHVYQIKZAQV-QLBLWQCWSA-N 0 0 428.299 8.160 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002456613 569312957 /nfs/dbraw/zinc/31/29/57/569312957.db2.gz IBVQXZQYLQVJPQ-OAQYLSRUSA-N 0 0 444.840 5.543 50 0 IKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(F)cc1 ZINC000013304813 569312961 /nfs/dbraw/zinc/31/29/61/569312961.db2.gz KYKVVIFMXYJRNE-BMJUYKDLSA-N 0 0 432.262 7.991 50 0 IKAARN Cn1c(CCc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nc2ccccc21 ZINC000013348464 569312996 /nfs/dbraw/zinc/31/29/96/569312996.db2.gz BRWQXLUAUYTPST-UHFFFAOYSA-N 0 0 438.453 6.021 50 0 IKAARN CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000013347390 569313004 /nfs/dbraw/zinc/31/30/04/569313004.db2.gz PPQPRUGTANPRMN-UHFFFAOYSA-N 0 0 428.580 5.534 50 0 IKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1ccccc1Br ZINC000013348096 569313010 /nfs/dbraw/zinc/31/30/10/569313010.db2.gz XCDXHCQGACXNOB-UHFFFAOYSA-N 0 0 435.325 5.755 50 0 IKAARN CCOC(=O)CC1(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)CCCCC1 ZINC000013348190 569313043 /nfs/dbraw/zinc/31/30/43/569313043.db2.gz FPXWKIXJWJWDEZ-UHFFFAOYSA-N 0 0 448.567 5.126 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1OC ZINC000013348412 569313068 /nfs/dbraw/zinc/31/30/68/569313068.db2.gz AUVQPGQYUXNFGS-UHFFFAOYSA-N 0 0 430.508 5.020 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000013348113 569313091 /nfs/dbraw/zinc/31/30/91/569313091.db2.gz ISXHAQXTOBSWTN-UHFFFAOYSA-N 0 0 442.519 5.098 50 0 IKAARN Cc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000013348607 569313168 /nfs/dbraw/zinc/31/31/68/569313168.db2.gz UFCILDJSPOFOGB-UHFFFAOYSA-N 0 0 446.554 6.763 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc(OC)c1 ZINC000013348485 569313231 /nfs/dbraw/zinc/31/32/31/569313231.db2.gz MZRGJZWOUZGECP-UHFFFAOYSA-N 0 0 430.508 5.020 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1C ZINC000013350097 569313242 /nfs/dbraw/zinc/31/32/42/569313242.db2.gz XLVNEOLCEYMVQA-UHFFFAOYSA-N 0 0 430.533 6.290 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000013353742 569313307 /nfs/dbraw/zinc/31/33/07/569313307.db2.gz KUYPYJSOUKKJSN-UHFFFAOYSA-N 0 0 447.922 6.238 50 0 IKAARN COc1cccc(CNC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000013353953 569313457 /nfs/dbraw/zinc/31/34/57/569313457.db2.gz BOUYUSQNYKWTQV-UHFFFAOYSA-N 0 0 438.553 5.145 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000013355094 569313515 /nfs/dbraw/zinc/31/35/15/569313515.db2.gz NEOPSEQSVPOBSR-UHFFFAOYSA-N 0 0 434.561 5.007 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc32)cc1 ZINC000013355870 569313526 /nfs/dbraw/zinc/31/35/26/569313526.db2.gz MEPXZIPOKJRBHF-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c(C)c1 ZINC000013355206 569313557 /nfs/dbraw/zinc/31/35/57/569313557.db2.gz VAIVLGZCYHFDHF-UHFFFAOYSA-N 0 0 434.561 5.007 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c(Cl)c1 ZINC000013356005 569313616 /nfs/dbraw/zinc/31/36/16/569313616.db2.gz CGVIITPOVBCECN-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)c(C)c1 ZINC000013358147 569313729 /nfs/dbraw/zinc/31/37/29/569313729.db2.gz CAXCTZJFHTYWBB-UHFFFAOYSA-N 0 0 429.611 5.382 50 0 IKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3Br)c2)cs1 ZINC000013358005 569313754 /nfs/dbraw/zinc/31/37/54/569313754.db2.gz DVFXBZQTCSKZKO-UHFFFAOYSA-N 0 0 437.384 5.299 50 0 IKAARN Cc1ccc(-c2coc(-c3cccc(NS(=O)(=O)c4ccc(CC(C)C)cc4)c3)n2)cc1 ZINC000013359170 569313825 /nfs/dbraw/zinc/31/38/25/569313825.db2.gz LEMKSECSHIJYPO-UHFFFAOYSA-N 0 0 446.572 6.316 50 0 IKAARN Cc1ccc(-c2coc(-c3cccc(NS(=O)(=O)c4ccc(C(C)C)cc4)c3)n2)cc1 ZINC000013359182 569313856 /nfs/dbraw/zinc/31/38/56/569313856.db2.gz RMKLQOOWWJJJGU-UHFFFAOYSA-N 0 0 432.545 6.241 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000013360259 569313957 /nfs/dbraw/zinc/31/39/57/569313957.db2.gz LHDWDYYRDPSJIB-UHFFFAOYSA-N 0 0 433.861 5.353 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(SCc3nc4cc(C)c(C)cc4[nH]c3=O)cc2)cc1 ZINC000013360891 569314026 /nfs/dbraw/zinc/31/40/26/569314026.db2.gz SYRZZKJVZATUEZ-UHFFFAOYSA-N 0 0 429.545 5.393 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)cc3)n2)c(C)c1 ZINC000013360691 569314047 /nfs/dbraw/zinc/31/40/47/569314047.db2.gz VEBFQZMITAEPIZ-UHFFFAOYSA-N 0 0 432.545 6.043 50 0 IKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(=O)NCc3ccccc3)cc2)n1 ZINC000013364278 569314158 /nfs/dbraw/zinc/31/41/58/569314158.db2.gz HBEJJMPZWUEPNX-UHFFFAOYSA-N 0 0 448.530 5.106 50 0 IKAARN O=C(CSc1ccccc1NC(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000013365620 569314268 /nfs/dbraw/zinc/31/42/68/569314268.db2.gz NDJSQDMBBVNACY-UHFFFAOYSA-N 0 0 445.569 5.793 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1Cl ZINC000013367092 569314327 /nfs/dbraw/zinc/31/43/27/569314327.db2.gz IPHMYPCIYLNJQK-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN Cc1ccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)cc1F ZINC000013366291 569314357 /nfs/dbraw/zinc/31/43/57/569314357.db2.gz DJMJRHXAWLPRQY-QHCPKHFHSA-N 0 0 434.536 5.031 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000013367075 569314363 /nfs/dbraw/zinc/31/43/63/569314363.db2.gz OYZYLIMKJHIALM-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1ccc(OC)c(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013369190 569314686 /nfs/dbraw/zinc/31/46/86/569314686.db2.gz OHLINVMORSSHQD-OAHLLOKOSA-N 0 0 435.911 5.574 50 0 IKAARN C[C@H](NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccc2c(c1)OCCO2 ZINC000013369106 569314712 /nfs/dbraw/zinc/31/47/12/569314712.db2.gz SEFYFRZTERVSLY-INIZCTEOSA-N 0 0 447.922 5.005 50 0 IKAARN COc1cc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc(OC)c1 ZINC000013369164 569314746 /nfs/dbraw/zinc/31/47/46/569314746.db2.gz KYHXSFNHSALDNF-HNNXBMFYSA-N 0 0 435.911 5.574 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(OC)cc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369356 569314839 /nfs/dbraw/zinc/31/48/39/569314839.db2.gz FYHSUXFAMWQZQO-QFIPXVFZSA-N 0 0 433.939 5.633 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369226 569314840 /nfs/dbraw/zinc/31/48/40/569314840.db2.gz PGQLHFSXXHVBJF-MOPGFXCFSA-N 0 0 431.967 6.055 50 0 IKAARN O=C(c1ccc(F)cc1)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369841 569314843 /nfs/dbraw/zinc/31/48/43/569314843.db2.gz UHAOPPMWBYKYBS-PKTZIBPZSA-N 0 0 444.554 5.963 50 0 biogenic IKAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCCc1ccccc1 ZINC000013369456 569314854 /nfs/dbraw/zinc/31/48/54/569314854.db2.gz NLLYAHRLOABHFC-UHFFFAOYSA-N 0 0 431.967 5.886 50 0 IKAARN O=C(c1cccs1)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370114 569314907 /nfs/dbraw/zinc/31/49/07/569314907.db2.gz MGUJWZKTWPBVFT-UXHICEINSA-N 0 0 438.641 6.266 50 0 biogenic IKAARN O=C(Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013370388 569314990 /nfs/dbraw/zinc/31/49/90/569314990.db2.gz VESYRDARDNRWIX-UHFFFAOYSA-N 0 0 431.967 6.348 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 ZINC000078623870 569316690 /nfs/dbraw/zinc/31/66/90/569316690.db2.gz VMKSKKAWBKSMDJ-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)c1nnc(-c2cccs2)o1 ZINC000019297531 569316724 /nfs/dbraw/zinc/31/67/24/569316724.db2.gz RSJSWMRIZGLTOW-NSHDSACASA-N 0 0 440.550 6.462 50 0 IKAARN C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)c1nnc(-c2cccs2)o1 ZINC000019297530 569316729 /nfs/dbraw/zinc/31/67/29/569316729.db2.gz RSJSWMRIZGLTOW-LLVKDONJSA-N 0 0 440.550 6.462 50 0 IKAARN CC(=O)N(c1nc(CN2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)cs1)C1CC1 ZINC000328595551 569317739 /nfs/dbraw/zinc/31/77/39/569317739.db2.gz XYTGFUCMZUPUTA-GFCCVEGCSA-N 0 0 441.544 5.568 50 0 IKAARN C[C@@H]1CN(CC2(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596144 569317857 /nfs/dbraw/zinc/31/78/57/569317857.db2.gz VBNMDIBAJVSUIU-IYRWYFENSA-N 0 0 446.682 5.204 50 0 IKAARN Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)[C@@H]2c2c(Cl)cccc2Cl)cc1 ZINC000019321469 569318272 /nfs/dbraw/zinc/31/82/72/569318272.db2.gz XMOWHKYDNAIDIO-QHCPKHFHSA-N 0 0 449.784 6.803 50 0 IKAARN CSc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019321550 569318294 /nfs/dbraw/zinc/31/82/94/569318294.db2.gz RHZOQQKRAKCHHX-RUZDIDTESA-N 0 0 441.015 6.526 50 0 IKAARN CCCCOc1ccc([C@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019330523 569318480 /nfs/dbraw/zinc/31/84/80/569318480.db2.gz LIFOUOHTFPIZBM-LJAQVGFWSA-N 0 0 446.610 6.720 50 0 IKAARN Cc1ccccc1CN1CCCN(Cc2ccc(F)cc2Cl)[C@@H]1c1ccccc1Cl ZINC000019330614 569318554 /nfs/dbraw/zinc/31/85/54/569318554.db2.gz XTJPCRUPVGTNGT-RUZDIDTESA-N 0 0 443.393 6.848 50 0 IKAARN Cc1ccccc1CN1CCCN(Cc2ccc(F)cc2Cl)[C@@H]1c1ccccc1F ZINC000019330597 569318555 /nfs/dbraw/zinc/31/85/55/569318555.db2.gz IZDZGQBQBQHPAQ-RUZDIDTESA-N 0 0 426.938 6.333 50 0 IKAARN COc1ccccc1[C@@H]1N(Cc2ccccc2C)CCCN1Cc1ccc(F)cc1Cl ZINC000019330600 569318562 /nfs/dbraw/zinc/31/85/62/569318562.db2.gz GKABKBCYJDITIL-AREMUKBSSA-N 0 0 438.974 6.203 50 0 IKAARN Fc1ccc(CN2CCCN(Cc3ccccc3Cl)[C@H]2c2ccccc2Cl)cc1 ZINC000019330572 569318595 /nfs/dbraw/zinc/31/85/95/569318595.db2.gz BOJUTETVCMODMZ-DEOSSOPVSA-N 0 0 429.366 6.539 50 0 IKAARN Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@@H]1c1ccccc1Cl ZINC000019330561 569318608 /nfs/dbraw/zinc/31/86/08/569318608.db2.gz BKPMHJQAFBRMNV-DEOSSOPVSA-N 0 0 429.366 6.539 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)c1 ZINC000078718338 569318613 /nfs/dbraw/zinc/31/86/13/569318613.db2.gz LAJXWCQLQBVGQQ-PMACEKPBSA-N 0 0 425.410 5.095 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000019358169 569319065 /nfs/dbraw/zinc/31/90/65/569319065.db2.gz NMDJACJOLQJRPP-INIZCTEOSA-N 0 0 441.603 5.236 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1C ZINC000078820676 569319295 /nfs/dbraw/zinc/31/92/95/569319295.db2.gz PONBULMXDJVGQE-SFHVURJKSA-N 0 0 444.457 5.220 50 0 IKAARN COCc1cccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000078875485 569319724 /nfs/dbraw/zinc/31/97/24/569319724.db2.gz HCCJZTCJLLMESU-UHFFFAOYSA-N 0 0 442.531 5.018 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(N(C(=O)CSc2ccccc2)c2ccccc2F)CC1 ZINC000078875487 569319751 /nfs/dbraw/zinc/31/97/51/569319751.db2.gz REKHJLBQKWBSNJ-UHFFFAOYSA-N 0 0 444.572 5.351 50 0 IKAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc(-c2ccccc2)ns1 ZINC000078899745 569320134 /nfs/dbraw/zinc/32/01/34/569320134.db2.gz YBCIJIGVRBMHCY-UHFFFAOYSA-N 0 0 448.375 5.608 50 0 IKAARN Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@H](c3nccs3)C3CC3)c2c1C ZINC000078903348 569320211 /nfs/dbraw/zinc/32/02/11/569320211.db2.gz UVHBJHWATQVZOX-IBGZPJMESA-N 0 0 427.643 5.560 50 0 IKAARN COc1ccc2c(c1)[C@@H](N(Cc1nnc(-c3cccc(F)c3)o1)Cc1ccccc1)CCO2 ZINC000078947620 569320511 /nfs/dbraw/zinc/32/05/11/569320511.db2.gz XJZMQLYMLMNEND-QHCPKHFHSA-N 0 0 445.494 5.410 50 0 IKAARN O=c1nc(CN(Cc2ccco2)Cc2cccs2)[nH]c2sc(-c3ccccc3)cc21 ZINC000019534172 569320827 /nfs/dbraw/zinc/32/08/27/569320827.db2.gz AUTPISGOICCUNW-UHFFFAOYSA-N 0 0 433.558 5.509 50 0 IKAARN O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000078993861 569321641 /nfs/dbraw/zinc/32/16/41/569321641.db2.gz SOFJTISREZMVMA-UHFFFAOYSA-N 0 0 440.392 5.422 50 0 IKAARN Cc1cc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)c(F)cc1F ZINC000079013964 569321868 /nfs/dbraw/zinc/32/18/68/569321868.db2.gz OPDCAEKRJUDEFH-UHFFFAOYSA-N 0 0 427.480 5.283 50 0 IKAARN CC(C)(C)c1nc(CC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cs1 ZINC000079045889 569323052 /nfs/dbraw/zinc/32/30/52/569323052.db2.gz BLBODZPUUVYEAO-LJQANCHMSA-N 0 0 426.561 5.266 50 0 IKAARN CC(C)(C)c1nc(CC(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cs1 ZINC000079045896 569323137 /nfs/dbraw/zinc/32/31/37/569323137.db2.gz BLBODZPUUVYEAO-IBGZPJMESA-N 0 0 426.561 5.266 50 0 IKAARN O[C@@H](CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1)c1ccco1 ZINC000079053382 569323565 /nfs/dbraw/zinc/32/35/65/569323565.db2.gz WZFZVNKSABYYQY-IBGZPJMESA-N 0 0 443.425 5.084 50 0 IKAARN COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000079052644 569323580 /nfs/dbraw/zinc/32/35/80/569323580.db2.gz QDUUOQUVWXIZGW-UGKGYDQZSA-N 0 0 446.975 5.265 50 0 IKAARN COc1cc2nc(C(Cl)=Cc3cnc(C4CCCCC4)s3)[nH]c(=O)c2cc1OC ZINC000079055646 569323619 /nfs/dbraw/zinc/32/36/19/569323619.db2.gz CFOQCDFCMANUNR-NVNXTCNLSA-N 0 0 431.945 5.594 50 0 IKAARN Brc1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1 ZINC000079068564 569324379 /nfs/dbraw/zinc/32/43/79/569324379.db2.gz ZHTBCUNYVCJFJV-UHFFFAOYSA-N 0 0 439.150 7.094 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019634977 569324459 /nfs/dbraw/zinc/32/44/59/569324459.db2.gz VZVDYMXXSQDJAP-UHFFFAOYSA-N 0 0 441.909 5.557 50 0 IKAARN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000079097989 569325342 /nfs/dbraw/zinc/32/53/42/569325342.db2.gz MMZGOMGPHDZXSM-LLVKDONJSA-N 0 0 439.730 5.328 50 0 IKAARN Cc1nn(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3NCc3ccccc3)cc12 ZINC000079096652 569325377 /nfs/dbraw/zinc/32/53/77/569325377.db2.gz HULIOPXDLOMDLC-UHFFFAOYSA-N 0 0 439.441 5.160 50 0 IKAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)COc1ccc(Br)cc1 ZINC000079104913 569325755 /nfs/dbraw/zinc/32/57/55/569325755.db2.gz ZBANFGAXLGSXFI-UHFFFAOYSA-N 0 0 435.318 5.122 50 0 IKAARN COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(C)c(Cl)c3)s1)C=CO2 ZINC000019809989 569329921 /nfs/dbraw/zinc/32/99/21/569329921.db2.gz IXEAMSQZWGIEIT-UHFFFAOYSA-N 0 0 438.936 5.633 50 0 IKAARN Cc1ccc(Cn2c3ccccc3n(CC(=O)c3ccc(-c4ccccc4)cc3)c2=N)cc1 ZINC000019855203 569330472 /nfs/dbraw/zinc/33/04/72/569330472.db2.gz AJVAERVQTSDOQT-UHFFFAOYSA-N 0 0 431.539 5.829 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CCOCC2)c1C ZINC000019880268 569331628 /nfs/dbraw/zinc/33/16/28/569331628.db2.gz KICZSTPUBXANLG-JOCHJYFZSA-N 0 0 440.996 5.692 50 0 IKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1ccc(Cl)cc1)CO2 ZINC000019890917 569331779 /nfs/dbraw/zinc/33/17/79/569331779.db2.gz OLKXYKBQMRVCJS-UHFFFAOYSA-N 0 0 431.919 5.816 50 0 biogenic IKAARN CCc1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000020033117 569332611 /nfs/dbraw/zinc/33/26/11/569332611.db2.gz UJGNOFMEZYAOGZ-UHFFFAOYSA-N 0 0 428.532 5.116 50 0 IKAARN CCc1ccccc1NC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O ZINC000020033122 569332668 /nfs/dbraw/zinc/33/26/68/569332668.db2.gz OMJWXIPJGQUZDG-UHFFFAOYSA-N 0 0 428.532 5.116 50 0 IKAARN O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CN1CCCCC1 ZINC000020036469 569332761 /nfs/dbraw/zinc/33/27/61/569332761.db2.gz LCSYSFBFQJRYFP-HAHDFKILSA-N 0 0 431.561 5.169 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)OCCCc1ccccc1 ZINC000020058318 569332843 /nfs/dbraw/zinc/33/28/43/569332843.db2.gz JCXHTCAKQVYGFT-UHFFFAOYSA-N 0 0 438.496 5.492 50 0 IKAARN COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000020059950 569333006 /nfs/dbraw/zinc/33/30/06/569333006.db2.gz ZPSJOIBSJDGJJQ-UHFFFAOYSA-N 0 0 432.911 5.102 50 0 IKAARN COc1ccc(C(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccc(F)cc2)cc1 ZINC000020059964 569333027 /nfs/dbraw/zinc/33/30/27/569333027.db2.gz TXAFFAQGPYEUTE-UHFFFAOYSA-N 0 0 436.874 5.047 50 0 IKAARN Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)Nc1c(C)cc(C)cc1-2 ZINC000020060245 569333029 /nfs/dbraw/zinc/33/30/29/569333029.db2.gz OJOPKSKNRVVNFN-LJAQVGFWSA-N 0 0 445.570 6.609 50 0 IKAARN CCOC(=O)C1=C(N)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@H]1c1ccccc1 ZINC000020065169 569333182 /nfs/dbraw/zinc/33/31/82/569333182.db2.gz NKPVUUAYPKTESU-NOZRDPDXSA-N 0 0 441.531 5.183 50 0 IKAARN Cc1ccc(Cl)c(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)c1 ZINC000020070073 569333354 /nfs/dbraw/zinc/33/33/54/569333354.db2.gz UQISQRDHFTVBHR-QHCPKHFHSA-N 0 0 446.963 5.918 50 0 IKAARN Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000020107721 569334243 /nfs/dbraw/zinc/33/42/43/569334243.db2.gz ZFZQXMWMTTZHLF-UHFFFAOYSA-N 0 0 439.584 6.582 50 0 IKAARN COc1ccc(Cl)cc1NC(=S)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000020107780 569334310 /nfs/dbraw/zinc/33/43/10/569334310.db2.gz XKBCAAJVHZXVCR-UHFFFAOYSA-N 0 0 432.376 5.796 50 0 IKAARN CCOC(=O)CN(Cc1ccccc1)[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000020108155 569334313 /nfs/dbraw/zinc/33/43/13/569334313.db2.gz XPEMHVPIUIUPME-MHZLTWQESA-N 0 0 444.575 5.555 50 0 IKAARN CCc1ccccc1NC(=S)N(CCc1ccc(OC)c(OC)c1)Cc1ccccn1 ZINC000020107851 569334399 /nfs/dbraw/zinc/33/43/99/569334399.db2.gz JCCBXUUXHQQPMU-UHFFFAOYSA-N 0 0 435.593 5.103 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1Cl ZINC000020130925 569335332 /nfs/dbraw/zinc/33/53/32/569335332.db2.gz WIUMOJHGPUZSIJ-UHFFFAOYSA-N 0 0 431.344 5.186 50 0 IKAARN Cc1ccc(C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3nc(C)ccc3c2=O)cc1 ZINC000020132732 569335416 /nfs/dbraw/zinc/33/54/16/569335416.db2.gz ZKMDHEFQKPXKMH-UHFFFAOYSA-N 0 0 436.433 5.311 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C)cc3C)nn2[C@@H]1c1ccc(C)cc1 ZINC000020133738 569335550 /nfs/dbraw/zinc/33/55/50/569335550.db2.gz MRFBSFQOURKUOY-JOCHJYFZSA-N 0 0 448.592 5.348 50 0 IKAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc(C(F)(F)F)nn32)cc1 ZINC000020134496 569335777 /nfs/dbraw/zinc/33/57/77/569335777.db2.gz XXBMRRGKDKBQFR-LJQANCHMSA-N 0 0 441.457 5.150 50 0 IKAARN Cl/C(=C\c1ccccc1)c1nc2ccc(Br)cn2c1NC1CCCCC1 ZINC000020138835 569336088 /nfs/dbraw/zinc/33/60/88/569336088.db2.gz PXTACGOJBJFIGH-AQTBWJFISA-N 0 0 430.777 6.578 50 0 IKAARN CCCSC1=N/C(=C/c2cccc(OC)c2OC)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152045 569336543 /nfs/dbraw/zinc/33/65/43/569336543.db2.gz UUOAPBLBGAYFQF-GZTJUZNOSA-N 0 0 434.920 5.383 50 0 IKAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCCC2 ZINC000020152241 569336625 /nfs/dbraw/zinc/33/66/25/569336625.db2.gz NIDOOWIJUHWGNK-UHFFFAOYSA-N 0 0 435.351 6.065 50 0 IKAARN CC1CCC2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=S)N2C(=O)c1ccc(F)cc1 ZINC000020152231 569336627 /nfs/dbraw/zinc/33/66/27/569336627.db2.gz XCIFGYVYMGJENV-UHFFFAOYSA-N 0 0 449.378 6.311 50 0 IKAARN CCCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(OCC)cc1 ZINC000020152078 569336635 /nfs/dbraw/zinc/33/66/35/569336635.db2.gz GLVSHGHYVJLQFT-HKWRFOASSA-N 0 0 440.565 5.380 50 0 IKAARN CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=S)N2C(=O)c1ccccc1 ZINC000020152260 569336642 /nfs/dbraw/zinc/33/66/42/569336642.db2.gz NERWZMNARJVUNI-UHFFFAOYSA-N 0 0 431.388 6.172 50 0 IKAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCCC2 ZINC000020152221 569336646 /nfs/dbraw/zinc/33/66/46/569336646.db2.gz JRVAWBJUVPJELV-UHFFFAOYSA-N 0 0 445.357 5.521 50 0 IKAARN Clc1cccc([C@H](Nc2ccc(Br)cc2)c2nnc(-c3ccccc3)o2)c1 ZINC000020178231 569354613 /nfs/dbraw/zinc/35/46/13/569354613.db2.gz FGIXZDZMCMIRNZ-IBGZPJMESA-N 0 0 440.728 6.354 50 0 IKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)c(Cl)c1 ZINC000020178253 569354713 /nfs/dbraw/zinc/35/47/13/569354713.db2.gz JUWZKYJFPBDRQQ-FQEVSTJZSA-N 0 0 428.294 6.692 50 0 IKAARN CCC1=Nc2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Sc2ccc(Cl)cc21 ZINC000020179007 569354773 /nfs/dbraw/zinc/35/47/73/569354773.db2.gz CBHHXPWTZIUISO-JOCHJYFZSA-N 0 0 447.003 7.143 50 0 IKAARN Cc1ccccc1CN1C(=O)/C(=C/C(=O)NCc2ccccc2Cl)Sc2ccccc21 ZINC000020179164 569354804 /nfs/dbraw/zinc/35/48/04/569354804.db2.gz LIDUGKZXHXXLHT-UCQKPKSFSA-N 0 0 448.975 5.488 50 0 IKAARN C[C@@H](NC(=O)/C=C1\Sc2ccccc2N(Cc2ccccc2F)C1=O)c1ccccc1 ZINC000020179158 569354813 /nfs/dbraw/zinc/35/48/13/569354813.db2.gz KZOIEAJQGPJZDI-XMSCMFJESA-N 0 0 432.520 5.226 50 0 IKAARN O=C(c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)N1CCCC1 ZINC000020179299 569354831 /nfs/dbraw/zinc/35/48/31/569354831.db2.gz SCQWTPMMTDGROB-UQQQWYQISA-N 0 0 442.490 5.028 50 0 IKAARN CCCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179287 569354843 /nfs/dbraw/zinc/35/48/43/569354843.db2.gz ZHIBLGXXLLAPPF-UQQQWYQISA-N 0 0 444.506 5.322 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000020179776 569354960 /nfs/dbraw/zinc/35/49/60/569354960.db2.gz ZELJAUNNBRJQMY-UCQKPKSFSA-N 0 0 448.975 5.722 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)[C@@H]1C ZINC000020179962 569354969 /nfs/dbraw/zinc/35/49/69/569354969.db2.gz KMHVMSBBZCFWKU-ABXWSEBYSA-N 0 0 438.568 5.490 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCc3ccccc3Cl)cc2N(C)C1=O ZINC000020180097 569355002 /nfs/dbraw/zinc/35/50/02/569355002.db2.gz DVGOXYGBCHPVCS-UCQKPKSFSA-N 0 0 448.975 5.688 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)C1 ZINC000020180295 569355005 /nfs/dbraw/zinc/35/50/05/569355005.db2.gz NOXYMXJOZFJGJR-BSAISZTBSA-N 0 0 440.996 5.568 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2C)S3)cc1 ZINC000020180107 569355019 /nfs/dbraw/zinc/35/50/19/569355019.db2.gz VVGCOUUNQAWVMV-IWIPYMOSSA-N 0 0 444.556 5.043 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2 ZINC000020180348 569355043 /nfs/dbraw/zinc/35/50/43/569355043.db2.gz STQNKDKNQILOHA-RBTZDRMISA-N 0 0 440.996 5.758 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCc3ccc(F)cc3)cc2N(C)C1=O ZINC000020180121 569355051 /nfs/dbraw/zinc/35/50/51/569355051.db2.gz KQXACWOCRBCPPD-UCQKPKSFSA-N 0 0 432.520 5.174 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2N(C)C1=O ZINC000020180099 569355058 /nfs/dbraw/zinc/35/50/58/569355058.db2.gz FFKXUHCMCKLJNU-UCQKPKSFSA-N 0 0 448.975 5.688 50 0 IKAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)NCc1cccs1 ZINC000020181048 569355226 /nfs/dbraw/zinc/35/52/26/569355226.db2.gz BHKCPFGTQQHDIU-UDWIEESQSA-N 0 0 440.977 5.198 50 0 IKAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@H](C)c3ccccc3)C2=O)cc1 ZINC000020180924 569355228 /nfs/dbraw/zinc/35/52/28/569355228.db2.gz HAVZAGZNHKWXGX-GJQHCVRFSA-N 0 0 444.556 5.052 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181037 569355248 /nfs/dbraw/zinc/35/52/48/569355248.db2.gz HFNVOTMVWFZCSF-ISXIEHEGSA-N 0 0 440.996 5.515 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181351 569355290 /nfs/dbraw/zinc/35/52/90/569355290.db2.gz KKUKXZWLFJEHQZ-OWLYXAJMSA-N 0 0 440.996 5.515 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181357 569355302 /nfs/dbraw/zinc/35/53/02/569355302.db2.gz KKUKXZWLFJEHQZ-INJKSQGZSA-N 0 0 440.996 5.515 50 0 IKAARN Cc1ccc(CCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3C)C2=O)cc1 ZINC000020181421 569355306 /nfs/dbraw/zinc/35/53/06/569355306.db2.gz DOVBOORQNSZFJR-UQQQWYQISA-N 0 0 442.584 5.142 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@H](C)c3ccccc3)C2=O)cc1 ZINC000020181256 569355309 /nfs/dbraw/zinc/35/53/09/569355309.db2.gz WZWYUOXMMFGIOX-GXDFBKAQSA-N 0 0 428.557 5.352 50 0 IKAARN C[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)c1ccccc1 ZINC000020181336 569355319 /nfs/dbraw/zinc/35/53/19/569355319.db2.gz FAUMEDRWWOZSOP-HAFIMRKLSA-N 0 0 448.975 5.697 50 0 IKAARN O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)NC1CCCCC1 ZINC000020181373 569355328 /nfs/dbraw/zinc/35/53/28/569355328.db2.gz AQWRYSFUVMBRGI-KGENOOAVSA-N 0 0 426.969 5.269 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccccc2N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O ZINC000020181423 569355338 /nfs/dbraw/zinc/35/53/38/569355338.db2.gz PFZFIOBKSKHQJJ-FWNKXUPRSA-N 0 0 434.605 5.416 50 0 IKAARN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)NCc1cccs1 ZINC000020181455 569355370 /nfs/dbraw/zinc/35/53/70/569355370.db2.gz XCESTNKEXQVYOS-UDWIEESQSA-N 0 0 440.977 5.198 50 0 IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCc3cccs3)C2=O)cc1 ZINC000020181638 569355381 /nfs/dbraw/zinc/35/53/81/569355381.db2.gz PMIKHLAYUWTGKE-HYARGMPZSA-N 0 0 434.586 5.107 50 0 IKAARN CCCCNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181540 569355412 /nfs/dbraw/zinc/35/54/12/569355412.db2.gz DJOUKCPGAGOWOT-CPNJWEJPSA-N 0 0 434.483 5.102 50 0 IKAARN CC1CCC(NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Sc3ccccc32)CC1 ZINC000020181453 569355420 /nfs/dbraw/zinc/35/54/20/569355420.db2.gz OLQXLAGBWXNDRP-HYARGMPZSA-N 0 0 440.996 5.515 50 0 IKAARN CCn1cc(CN(C(=S)Nc2ccc(Cl)cc2)C2CCCCCC2)c2ccccc21 ZINC000020212695 569356301 /nfs/dbraw/zinc/35/63/01/569356301.db2.gz BFLTWWTZALXVFW-UHFFFAOYSA-N 0 0 440.056 7.236 50 0 IKAARN Cn1cc(CN(C(=S)Nc2cccc(C(F)(F)F)c2)C2CCCC2)c2ccccc21 ZINC000020212640 569356317 /nfs/dbraw/zinc/35/63/17/569356317.db2.gz ITHSDQKXMHZLPW-UHFFFAOYSA-N 0 0 431.527 6.339 50 0 IKAARN COc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCC2)cc1Cl ZINC000020212636 569356337 /nfs/dbraw/zinc/35/63/37/569356337.db2.gz JWVKDOOOXXXWPE-UHFFFAOYSA-N 0 0 428.001 5.982 50 0 IKAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Nc3cccc(SC)c3)nc3ccccc32)C1 ZINC000020212446 569356341 /nfs/dbraw/zinc/35/63/41/569356341.db2.gz KUJJKEAAYCSBGB-KRWDZBQOSA-N 0 0 449.576 5.116 50 0 IKAARN CSc1cccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCCCC2)c1 ZINC000020212653 569356348 /nfs/dbraw/zinc/35/63/48/569356348.db2.gz SXMQYWIRXCRPLO-UHFFFAOYSA-N 0 0 437.678 6.822 50 0 IKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000020212664 569356371 /nfs/dbraw/zinc/35/63/71/569356371.db2.gz LIJWDLGRKHBPIQ-HNNXBMFYSA-N 0 0 434.436 6.966 50 0 IKAARN COc1ccc(-c2nn(C)c3sc(C(=O)N[C@H](C)CCc4ccccc4)cc23)cc1OC ZINC000020233755 569357289 /nfs/dbraw/zinc/35/72/89/569357289.db2.gz BBGAITMIJHUIOG-MRXNPFEDSA-N 0 0 449.576 5.070 50 0 IKAARN COc1ccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)cc1Cl ZINC000020239126 569357575 /nfs/dbraw/zinc/35/75/75/569357575.db2.gz HULZOUCZJNMEMI-UHFFFAOYSA-N 0 0 432.332 5.870 50 0 IKAARN O=c1c2ccccc2nc(N(CCc2ccccc2)Cc2ccccc2)n1Cc1ccccc1 ZINC000020239311 569357591 /nfs/dbraw/zinc/35/75/91/569357591.db2.gz DQLDYLGQCKCAHS-UHFFFAOYSA-N 0 0 445.566 5.694 50 0 IKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NCCc1ccc(Cl)cc1 ZINC000020241186 569357864 /nfs/dbraw/zinc/35/78/64/569357864.db2.gz BYDXOEHJTSBTRV-UHFFFAOYSA-N 0 0 435.376 5.549 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4ccnc4C)cc3)c12 ZINC000095101207 569358215 /nfs/dbraw/zinc/35/82/15/569358215.db2.gz RFASUBIFRVJMLA-UHFFFAOYSA-N 0 0 448.530 5.353 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000020282541 569358777 /nfs/dbraw/zinc/35/87/77/569358777.db2.gz OHCPKXWAIDTPPN-UHFFFAOYSA-N 0 0 446.982 5.348 50 0 IKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020285610 569359035 /nfs/dbraw/zinc/35/90/35/569359035.db2.gz APHARBDAVXZSDM-BZZOAKBMSA-N 0 0 439.920 5.468 50 0 IKAARN COc1ccc(/N=c2\oc3cc(OC)ccc3cc2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000020285682 569359058 /nfs/dbraw/zinc/35/90/58/569359058.db2.gz IOQQSDHVMBYBOQ-QPLCGJKRSA-N 0 0 449.528 5.132 50 0 IKAARN Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000020285524 569359091 /nfs/dbraw/zinc/35/90/91/569359091.db2.gz RPOLCTDEYDNTSC-QYQHSDTDSA-N 0 0 443.446 5.825 50 0 IKAARN O=C(c1cc2c(s1)c1ccccc1nc2Cl)N1CCN(c2ccccc2F)CC1 ZINC000020286085 569359106 /nfs/dbraw/zinc/35/91/06/569359106.db2.gz SDVKCCLCWVWJJR-UHFFFAOYSA-N 0 0 425.916 5.204 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c(Br)c1 ZINC000020286777 569359135 /nfs/dbraw/zinc/35/91/35/569359135.db2.gz ATKZONJDJHEUFW-UHFFFAOYSA-N 0 0 429.745 6.090 50 0 IKAARN CCn1c(=O)c2cc(C(=O)N(C)c3cc(Cl)ccc3OC)sc2c2ccccc21 ZINC000020286330 569359164 /nfs/dbraw/zinc/35/91/64/569359164.db2.gz LORXBLMZGYVYFJ-UHFFFAOYSA-N 0 0 426.925 5.175 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1cc(Cl)ccc1OC ZINC000020286142 569359176 /nfs/dbraw/zinc/35/91/76/569359176.db2.gz NWWDVZBRGOGQPT-UHFFFAOYSA-N 0 0 431.344 6.432 50 0 IKAARN CCn1c2ccccc2c2sc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1=O ZINC000020286302 569359189 /nfs/dbraw/zinc/35/91/89/569359189.db2.gz YVMZIWPOSDGOSO-UHFFFAOYSA-N 0 0 430.573 5.331 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1cc(OC)ccc1OC ZINC000020286149 569359202 /nfs/dbraw/zinc/35/92/02/569359202.db2.gz LJZRJZAEMSEYAB-UHFFFAOYSA-N 0 0 426.925 5.787 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)c(C)c2)cc1 ZINC000020319195 569360094 /nfs/dbraw/zinc/36/00/94/569360094.db2.gz AWFDVHNWHUHKFG-OAQYLSRUSA-N 0 0 438.325 5.322 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl)c1ccc(OCC)cc1 ZINC000020321452 569360210 /nfs/dbraw/zinc/36/02/10/569360210.db2.gz JOYLSNUCRUJRGS-UHFFFAOYSA-N 0 0 438.980 6.867 50 0 IKAARN COc1ccc(N(C)C(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)c(OC)c1 ZINC000020321342 569360216 /nfs/dbraw/zinc/36/02/16/569360216.db2.gz TVLVHGHYPWCVOX-UHFFFAOYSA-N 0 0 426.925 5.705 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)c(OC)c1 ZINC000020321623 569360232 /nfs/dbraw/zinc/36/02/32/569360232.db2.gz WFZMLYXLBVLUMZ-UHFFFAOYSA-N 0 0 440.952 5.401 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)cc1OC ZINC000020321257 569360250 /nfs/dbraw/zinc/36/02/50/569360250.db2.gz QMVWZVZLOHBAGO-UHFFFAOYSA-N 0 0 440.952 5.401 50 0 IKAARN COc1cccc(CNc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)c1 ZINC000020332412 569360998 /nfs/dbraw/zinc/36/09/98/569360998.db2.gz XJYORBUJPIYYNR-UHFFFAOYSA-N 0 0 449.436 5.584 50 0 IKAARN COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000020354885 569361051 /nfs/dbraw/zinc/36/10/51/569361051.db2.gz BYBMNYMBGCPJBC-UHFFFAOYSA-N 0 0 442.540 5.041 50 0 IKAARN CCCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(C)c1)S2 ZINC000020355305 569361286 /nfs/dbraw/zinc/36/12/86/569361286.db2.gz ILPBDKOIBNJRBV-PXLXIMEGSA-N 0 0 440.634 5.734 50 0 IKAARN CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000020355356 569361384 /nfs/dbraw/zinc/36/13/84/569361384.db2.gz UNEDIDFUPVVFRD-NJRDNMGOSA-N 0 0 442.584 5.831 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000095357434 569362243 /nfs/dbraw/zinc/36/22/43/569362243.db2.gz FOVYAIOYDGIAEN-UHFFFAOYSA-N 0 0 449.982 5.557 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(C)cc3)c2c1 ZINC000020382406 569362678 /nfs/dbraw/zinc/36/26/78/569362678.db2.gz SBEUIKREBLQGIW-UHFFFAOYSA-N 0 0 432.545 5.387 50 0 IKAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(CC)cc32)cc1 ZINC000020382604 569362712 /nfs/dbraw/zinc/36/27/12/569362712.db2.gz QEHAXUKQTCLWPI-UHFFFAOYSA-N 0 0 445.540 5.260 50 0 IKAARN COc1ccc(CNc2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020382538 569362766 /nfs/dbraw/zinc/36/27/66/569362766.db2.gz QPJGATGUYTXWFW-UHFFFAOYSA-N 0 0 448.544 5.005 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)cc1 ZINC000020385608 569362981 /nfs/dbraw/zinc/36/29/81/569362981.db2.gz FJMGFIJDZBYCMO-UHFFFAOYSA-N 0 0 431.561 5.840 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCCC4=CCCCC4)cc32)cc1 ZINC000020385735 569362994 /nfs/dbraw/zinc/36/29/94/569362994.db2.gz DPYAAOBJTZOWAY-UHFFFAOYSA-N 0 0 435.593 5.646 50 0 IKAARN O=C(NCCCSC1CCCCC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000020385217 569363011 /nfs/dbraw/zinc/36/30/11/569363011.db2.gz CTIYDNAMSQPFDA-UHFFFAOYSA-N 0 0 426.607 5.589 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000020387198 569363137 /nfs/dbraw/zinc/36/31/37/569363137.db2.gz JGTQPNHMBFKXTK-SANMLTNESA-N 0 0 438.999 5.526 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@H](C)CCc4ccco4)cc32)cc1 ZINC000020385974 569363145 /nfs/dbraw/zinc/36/31/45/569363145.db2.gz FDPGILNOVGXRKQ-GOSISDBHSA-N 0 0 449.576 5.370 50 0 IKAARN CC1CCC(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2CCc2ccc(Cl)cc2)CC1 ZINC000020387578 569363228 /nfs/dbraw/zinc/36/32/28/569363228.db2.gz NHIMBWOFXXLZDO-WHJRKYDLSA-N 0 0 438.999 5.035 50 0 IKAARN COc1ccc(CSc2nc3ccncc3n2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000020388947 569363301 /nfs/dbraw/zinc/36/33/01/569363301.db2.gz CFTSTHUSKUZFDX-UHFFFAOYSA-N 0 0 429.467 5.799 50 0 IKAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000095396859 569363545 /nfs/dbraw/zinc/36/35/45/569363545.db2.gz IOSBCYWILPYXRY-UHFFFAOYSA-N 0 0 425.579 5.701 50 0 IKAARN Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000020413336 569364175 /nfs/dbraw/zinc/36/41/75/569364175.db2.gz NYDKPZQCSSZGKA-RXVVDRJESA-N 0 0 447.575 6.011 50 0 biogenic IKAARN C[C@@H](NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)c1ccccc1 ZINC000020415069 569364319 /nfs/dbraw/zinc/36/43/19/569364319.db2.gz UGCKQSMJUZNFAO-OAHLLOKOSA-N 0 0 434.540 5.077 50 0 IKAARN Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000020415534 569364434 /nfs/dbraw/zinc/36/44/34/569364434.db2.gz BEYAWYMBXOZMIW-UHFFFAOYSA-N 0 0 442.588 5.316 50 0 IKAARN CC[C@@H](C)NC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417959 569365184 /nfs/dbraw/zinc/36/51/84/569365184.db2.gz MAUJDWRYQPULAU-YEBMWUKDSA-N 0 0 425.912 5.804 50 0 IKAARN Cc1c(C(=O)N2CCCCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417948 569365217 /nfs/dbraw/zinc/36/52/17/569365217.db2.gz STFKYBZYOVXWCJ-RUZDIDTESA-N 0 0 437.923 5.901 50 0 IKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4cc(Cl)ccc4OC)oc3ccc2O1 ZINC000020418261 569365225 /nfs/dbraw/zinc/36/52/25/569365225.db2.gz FXSHHGPWHSVTND-QHCPKHFHSA-N 0 0 427.884 5.789 50 0 IKAARN CCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000020436317 569365384 /nfs/dbraw/zinc/36/53/84/569365384.db2.gz YDKPDBXNCWNBJN-UHFFFAOYSA-N 0 0 449.981 5.391 50 0 IKAARN COc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)c1 ZINC000020436797 569365484 /nfs/dbraw/zinc/36/54/84/569365484.db2.gz LVPDJGZUAYGRQV-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N(CC(C)C)CC(C)C)c2ccccc21 ZINC000020438772 569365507 /nfs/dbraw/zinc/36/55/07/569365507.db2.gz PTPVSTURGIHMJH-XYGWBWBKSA-N 0 0 445.607 5.573 50 0 IKAARN CCOc1ccc(NC(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)cc1 ZINC000020437587 569365510 /nfs/dbraw/zinc/36/55/10/569365510.db2.gz HTNKGRUQCSOCRN-UHFFFAOYSA-N 0 0 444.535 5.151 50 0 IKAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@H]1c1ccccc1OC ZINC000095436499 569366642 /nfs/dbraw/zinc/36/66/42/569366642.db2.gz KISBGDCWVGIFRI-XUZZJYLKSA-N 0 0 447.535 5.069 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000095454857 569368350 /nfs/dbraw/zinc/36/83/50/569368350.db2.gz FNMDAQXRISRNJK-LJQANCHMSA-N 0 0 431.540 5.208 50 0 IKAARN O=C(COc1cc(Cl)cnc1Br)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000095460181 569369666 /nfs/dbraw/zinc/36/96/66/569369666.db2.gz LVQMEWVUIOJTAP-UHFFFAOYSA-N 0 0 445.700 5.012 50 0 IKAARN C[C@H](c1nnc(SCCSc2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000095469636 569371524 /nfs/dbraw/zinc/37/15/24/569371524.db2.gz NZVMJIXHLKSFIV-CQSZACIVSA-N 0 0 437.009 5.567 50 0 IKAARN Cc1ncc(CNCc2ccco2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095478804 569373537 /nfs/dbraw/zinc/37/35/37/569373537.db2.gz JAKQPOGKTZCNBS-UHFFFAOYSA-N 0 0 425.282 5.013 50 0 IKAARN CCOc1ccc(Nc2cc(-n3nc(C(F)(F)F)cc3-c3ccccc3)ncn2)cc1 ZINC000095481752 569374051 /nfs/dbraw/zinc/37/40/51/569374051.db2.gz ZOHUMQISQCVFPF-UHFFFAOYSA-N 0 0 425.414 5.490 50 0 IKAARN c1ccc(C(c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn32)c2ccccc2)cc1 ZINC000095481704 569374062 /nfs/dbraw/zinc/37/40/62/569374062.db2.gz RYEZDIRGQRNPFX-UHFFFAOYSA-N 0 0 426.589 5.834 50 0 IKAARN Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000095482472 569374304 /nfs/dbraw/zinc/37/43/04/569374304.db2.gz FLIBLVVPIFKRHU-UHFFFAOYSA-N 0 0 436.364 5.244 50 0 IKAARN O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc2ccccc2c1 ZINC000095483630 569374407 /nfs/dbraw/zinc/37/44/07/569374407.db2.gz AQMRFRIABRCJBE-VWLOTQADSA-N 0 0 430.507 5.890 50 0 IKAARN Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2n1-c1ccc(Br)cc1 ZINC000020664956 569374978 /nfs/dbraw/zinc/37/49/78/569374978.db2.gz KHLMXLDPTMYOCK-BXTJHSDWSA-N 0 0 440.385 5.651 50 0 IKAARN O=C([O-])CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000116208728 569374981 /nfs/dbraw/zinc/37/49/81/569374981.db2.gz SONIYNNDYGIJDZ-UHFFFAOYSA-O 0 0 447.579 6.576 50 0 IKAARN CCc1cccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000095945253 569375790 /nfs/dbraw/zinc/37/57/90/569375790.db2.gz OVAJHDYHNTVKJX-HHHXNRCGSA-N 0 0 434.543 5.799 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1NCCc1ccc(Cl)cc1 ZINC000095944708 569375802 /nfs/dbraw/zinc/37/58/02/569375802.db2.gz UQRAMRCSUOQYMM-UHFFFAOYSA-N 0 0 446.934 5.824 50 0 IKAARN COc1cccc(SCC(=O)Nc2c(Br)cc(F)cc2Br)c1 ZINC000095948012 569376379 /nfs/dbraw/zinc/37/63/79/569376379.db2.gz VKISOWIHCSZUQU-UHFFFAOYSA-N 0 0 449.139 5.090 50 0 IKAARN CCc1ccc(-n2c(=O)c3ccccc3nc2S[C@@H](C)c2nnc(C(F)(F)F)o2)cc1 ZINC000095972808 569377488 /nfs/dbraw/zinc/37/74/88/569377488.db2.gz LGUAGMWIMFVMNU-LBPRGKRZSA-N 0 0 446.454 5.203 50 0 IKAARN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1csc(-c2ccccn2)n1 ZINC000095996766 569378948 /nfs/dbraw/zinc/37/89/48/569378948.db2.gz BVNKCZYRSWWVDM-UHFFFAOYSA-N 0 0 425.473 5.193 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000096012662 569380164 /nfs/dbraw/zinc/38/01/64/569380164.db2.gz JGEFPMUIBHSIMO-CQSZACIVSA-N 0 0 430.217 5.041 50 0 IKAARN Cc1cc(-c2ccccc2)nc(SCc2nnc(-c3ccccc3Br)o2)n1 ZINC000028031030 569380330 /nfs/dbraw/zinc/38/03/30/569380330.db2.gz BCLRYVHDHLKDLK-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000096035472 569381045 /nfs/dbraw/zinc/38/10/45/569381045.db2.gz YCZUWCLURPMJHI-MSUUIHNZSA-N 0 0 438.571 5.167 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000096096058 569381127 /nfs/dbraw/zinc/38/11/27/569381127.db2.gz MZQWVVUVBVNXIB-HAHDFKILSA-N 0 0 442.540 5.162 50 0 IKAARN CCCCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1 ZINC000096102988 569381863 /nfs/dbraw/zinc/38/18/63/569381863.db2.gz OTIQSZGEACVAMR-UHFFFAOYSA-N 0 0 443.507 5.545 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096102978 569381878 /nfs/dbraw/zinc/38/18/78/569381878.db2.gz LVWQKMFCLHXFHW-UHFFFAOYSA-N 0 0 440.290 5.673 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)N(Cc1cnc2ccccn12)c1ccccc1 ZINC000096103004 569381909 /nfs/dbraw/zinc/38/19/09/569381909.db2.gz WMVRRVXZQLRYDK-UHFFFAOYSA-N 0 0 432.527 5.840 50 0 IKAARN CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000096103624 569381979 /nfs/dbraw/zinc/38/19/79/569381979.db2.gz OOPLGMDHDGPODU-IZZDOVSWSA-N 0 0 434.586 5.320 50 0 IKAARN CN1C(=O)/C(=C\c2ccc(OCc3cscn3)cc2)c2cc(Br)ccc21 ZINC000096157888 569385818 /nfs/dbraw/zinc/38/58/18/569385818.db2.gz OALVHMDBSSYVEA-LSCVHKIXSA-N 0 0 427.323 5.002 50 0 IKAARN O=c1c2ccccc2nc(/C=C\c2ccc(OCc3cscn3)cc2)n1-c1ccccc1 ZINC000096157889 569385883 /nfs/dbraw/zinc/38/58/83/569385883.db2.gz PSBHQFDEHJADCM-QINSGFPZSA-N 0 0 437.524 5.592 50 0 IKAARN O=C(Nc1nc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1)c1ccccc1 ZINC000096191221 569386203 /nfs/dbraw/zinc/38/62/03/569386203.db2.gz AWTGBBZVJOOCAX-UHFFFAOYSA-N 0 0 431.561 5.704 50 0 IKAARN COc1ccc(-c2nc(CC(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)cs2)cc1OC ZINC000096223479 569387308 /nfs/dbraw/zinc/38/73/08/569387308.db2.gz MQRABQZGSFDYEE-FQEVSTJZSA-N 0 0 447.560 5.045 50 0 IKAARN COc1ccc(C2(C(=O)N[C@@H]3CCCc4c5cc(Cl)ccc5[nH]c43)CCOCC2)cc1 ZINC000096231588 569387618 /nfs/dbraw/zinc/38/76/18/569387618.db2.gz VCJRPCHCNZWORW-JOCHJYFZSA-N 0 0 438.955 5.072 50 0 IKAARN O=C(C[C@@H](CCc1ccccc1)c1c[nH]c2ccc(Cl)cc21)NCCc1ccccn1 ZINC000096275248 569388307 /nfs/dbraw/zinc/38/83/07/569388307.db2.gz RIEIXFCWWBRCKY-HXUWFJFHSA-N 0 0 431.967 5.682 50 0 IKAARN CC(C)C(=O)Nc1ccc2c(cc(C(=O)N3CCCC3)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096275199 569388315 /nfs/dbraw/zinc/38/83/15/569388315.db2.gz FXNVQQMEYGAUPQ-UHFFFAOYSA-N 0 0 445.607 5.818 50 0 IKAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000096275442 569388331 /nfs/dbraw/zinc/38/83/31/569388331.db2.gz CTHOGTJNECSIJH-UHFFFAOYSA-N 0 0 425.532 5.163 50 0 IKAARN CCOc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275757 569388388 /nfs/dbraw/zinc/38/83/88/569388388.db2.gz WTEHLOLCWJZNIP-RUZDIDTESA-N 0 0 441.575 5.405 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000096275799 569388399 /nfs/dbraw/zinc/38/83/99/569388399.db2.gz ZCZPVLOPKIQIHR-UHFFFAOYSA-N 0 0 447.922 5.040 50 0 IKAARN Cn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000096275726 569388424 /nfs/dbraw/zinc/38/84/24/569388424.db2.gz MXZRTLWFMRURFL-UHFFFAOYSA-N 0 0 439.559 5.658 50 0 IKAARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CC1 ZINC000096276157 569388532 /nfs/dbraw/zinc/38/85/32/569388532.db2.gz ICIMWFNJQOBRGE-LJQANCHMSA-N 0 0 430.379 5.161 50 0 IKAARN CCCCn1c(C(=O)NCC(C)C)cc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000096276979 569388668 /nfs/dbraw/zinc/38/86/68/569388668.db2.gz DRMVVRDQPDLNIM-UHFFFAOYSA-N 0 0 425.960 5.733 50 0 IKAARN CC(C)(C)c1ccc(Cn2c(C(N)=O)cc3cc(NC(=O)c4cccs4)ccc32)cc1 ZINC000096277160 569388740 /nfs/dbraw/zinc/38/87/40/569388740.db2.gz KSYJCHPPZHSXCG-UHFFFAOYSA-N 0 0 431.561 5.400 50 0 IKAARN CC(C)CC(=O)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1 ZINC000096277849 569388883 /nfs/dbraw/zinc/38/88/83/569388883.db2.gz JAOGIDYFGWFXLS-UHFFFAOYSA-N 0 0 434.378 5.249 50 0 IKAARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(OC)cc32)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096278142 569388990 /nfs/dbraw/zinc/38/89/90/569388990.db2.gz YLFIJDNTYXAWEX-HSZRJFAPSA-N 0 0 447.623 5.160 50 0 IKAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000096278438 569389065 /nfs/dbraw/zinc/38/90/65/569389065.db2.gz QOTFCYRQDWNTNW-UHFFFAOYSA-N 0 0 430.483 5.341 50 0 IKAARN CCCCN(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096278666 569389091 /nfs/dbraw/zinc/38/90/91/569389091.db2.gz OLMLSRRNASIUJA-UHFFFAOYSA-N 0 0 431.458 5.549 50 0 IKAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCc3ccco3)C(C)(C)C)c3ccccc32)cc1 ZINC000096278271 569389119 /nfs/dbraw/zinc/38/91/19/569389119.db2.gz DZARAHRFQCFENZ-RUZDIDTESA-N 0 0 444.575 6.127 50 0 IKAARN Cc1ccc2nc(-c3ccccc3OS(=O)(=O)c3cccc(Cl)c3Cl)oc2c1 ZINC000096279080 569389179 /nfs/dbraw/zinc/38/91/79/569389179.db2.gz DZTGXZRMTKBJBM-UHFFFAOYSA-N 0 0 434.300 5.878 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c3)nc2c1 ZINC000096278956 569389192 /nfs/dbraw/zinc/38/91/92/569389192.db2.gz SPGOBFAQUIWVQY-UHFFFAOYSA-N 0 0 444.840 7.036 50 0 IKAARN Cc1cccc(-c2nc3ccccc3o2)c1OS(=O)(=O)c1cccc(Cl)c1Cl ZINC000096279060 569389195 /nfs/dbraw/zinc/38/91/95/569389195.db2.gz HKFCIMJJLARMSO-UHFFFAOYSA-N 0 0 434.300 5.878 50 0 IKAARN Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)c3cccc(F)c3)n2)cc1Cl ZINC000096278780 569389205 /nfs/dbraw/zinc/38/92/05/569389205.db2.gz ABSFRGFXDYDCDJ-UHFFFAOYSA-N 0 0 439.874 5.316 50 0 IKAARN Cc1cccc(-c2nc3ncccc3o2)c1OS(=O)(=O)c1cccc(Cl)c1Cl ZINC000096279069 569389210 /nfs/dbraw/zinc/38/92/10/569389210.db2.gz JMBWYZIAFPCTOU-UHFFFAOYSA-N 0 0 435.288 5.273 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(N(C)C)c4)nc3c2)cc1C(F)(F)F ZINC000096279536 569389423 /nfs/dbraw/zinc/38/94/23/569389423.db2.gz CDFXJWICABRRIZ-UHFFFAOYSA-N 0 0 439.437 6.140 50 0 IKAARN CC(C)CNC(=O)c1cc2scc(Br)c2n1Cc1cccc(Cl)c1 ZINC000096280411 569389552 /nfs/dbraw/zinc/38/95/52/569389552.db2.gz PUNZZQJLWOVMPD-UHFFFAOYSA-N 0 0 425.779 5.553 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(F)cc2F)s1)c1cccc(Br)c1 ZINC000096280161 569389556 /nfs/dbraw/zinc/38/95/56/569389556.db2.gz YQWQFFSUSZHMGQ-UHFFFAOYSA-N 0 0 442.310 5.123 50 0 IKAARN O=C(NCc1ccco1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1 ZINC000096280396 569389566 /nfs/dbraw/zinc/38/95/66/569389566.db2.gz DKBJHAHTCNNUAE-UHFFFAOYSA-N 0 0 433.302 5.176 50 0 IKAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000096280150 569389590 /nfs/dbraw/zinc/38/95/90/569389590.db2.gz ZXPYWGXHGHSHNP-UHFFFAOYSA-N 0 0 437.559 5.406 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccccc3)c2Oc2ccccc2F)cc1 ZINC000096280573 569389666 /nfs/dbraw/zinc/38/96/66/569389666.db2.gz QVZOGNXXIJPOSV-UHFFFAOYSA-N 0 0 445.494 5.692 50 0 IKAARN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000096281651 569390031 /nfs/dbraw/zinc/39/00/31/569390031.db2.gz AVPQQJIZZCEYAB-UHFFFAOYSA-N 0 0 442.563 5.040 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000096281611 569390041 /nfs/dbraw/zinc/39/00/41/569390041.db2.gz KPYXHRDSVBOVHY-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN Cc1ccc(F)c(NC(=O)c2csc(-c3cccc(OCc4cccc(F)c4)c3)n2)c1 ZINC000096281624 569390064 /nfs/dbraw/zinc/39/00/64/569390064.db2.gz QCALTIHQUZBPLM-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000096281991 569390173 /nfs/dbraw/zinc/39/01/73/569390173.db2.gz KJZUABKQQYVLLW-UHFFFAOYSA-N 0 0 441.318 6.269 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cc(C)ccc1F ZINC000096287524 569390301 /nfs/dbraw/zinc/39/03/01/569390301.db2.gz VSCMLJPZJGYCSQ-HSZRJFAPSA-N 0 0 444.550 5.422 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096287506 569390349 /nfs/dbraw/zinc/39/03/49/569390349.db2.gz VZUIRFMOXYAQIP-QHCPKHFHSA-N 0 0 448.513 5.252 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3cccc(OC)c3)n2-c2ccc(C)cc2)c1 ZINC000096287014 569390358 /nfs/dbraw/zinc/39/03/58/569390358.db2.gz UFEHKIDVXBXDAN-UHFFFAOYSA-N 0 0 445.544 5.330 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096288230 569390413 /nfs/dbraw/zinc/39/04/13/569390413.db2.gz YVRDOUQHYJLZLJ-YJYMSZOUSA-N 0 0 435.421 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O=C(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccccc1Br ZINC000096320563 569394086 /nfs/dbraw/zinc/39/40/86/569394086.db2.gz HVXQBHYIOHWEDS-UHFFFAOYSA-N 0 0 448.364 5.014 50 0 IKAARN O=C(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccc(Br)cc1 ZINC000096320568 569394090 /nfs/dbraw/zinc/39/40/90/569394090.db2.gz GCEKUHPUWDERGD-UHFFFAOYSA-N 0 0 448.364 5.014 50 0 IKAARN Cc1ccccc1CS(=O)(=O)Cc1ccc(-c2nc(-c3ccccc3Cl)no2)o1 ZINC000096322751 569394870 /nfs/dbraw/zinc/39/48/70/569394870.db2.gz RZUBJWZDOHAJPT-UHFFFAOYSA-N 0 0 428.897 5.073 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)N3CCN(c4ccccc4)CC3)cc3occc32)cc1Cl ZINC000096323703 569395352 /nfs/dbraw/zinc/39/53/52/569395352.db2.gz VFSRHHMRAWKTSP-UHFFFAOYSA-N 0 0 446.938 5.496 50 0 IKAARN O=C(c1cc2occc2c(Nc2ccc(Cl)cc2)n1)N1CCN(c2ccccc2)CC1 ZINC000096323640 569395368 /nfs/dbraw/zinc/39/53/68/569395368.db2.gz WRKXUCHEHYLAMO-UHFFFAOYSA-N 0 0 432.911 5.187 50 0 IKAARN Cc1cc(Nc2nc(C(=O)N3CCC(C)CC3)cc3occc32)ccc1Br ZINC000096323730 569395494 /nfs/dbraw/zinc/39/54/94/569395494.db2.gz 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569397050 /nfs/dbraw/zinc/39/70/50/569397050.db2.gz ZCXRFEZGTYIYAD-VWLOTQADSA-N 0 0 430.592 5.230 50 0 IKAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096349878 569397365 /nfs/dbraw/zinc/39/73/65/569397365.db2.gz OUSNQQQLRICNOA-UHFFFAOYSA-N 0 0 448.832 5.205 50 0 IKAARN O=C(Nc1cccc(Br)c1)Nc1cccc(-c2nccnc2N2CCCC2)c1 ZINC000096386548 569398680 /nfs/dbraw/zinc/39/86/80/569398680.db2.gz YRWRKHULXRPGNH-UHFFFAOYSA-N 0 0 438.329 5.150 50 0 IKAARN CCCn1cc(C2=CCN(C(=O)Nc3ccc(Br)cc3)CC2)c2cccnc21 ZINC000096386476 569398686 /nfs/dbraw/zinc/39/86/86/569398686.db2.gz HIFUAHRNXBKBKY-UHFFFAOYSA-N 0 0 439.357 5.530 50 0 IKAARN O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc1cccc(Cl)c1F ZINC000096386643 569398687 /nfs/dbraw/zinc/39/86/87/569398687.db2.gz FFFLXPOZRTWSTC-UHFFFAOYSA-N 0 0 443.935 5.133 50 0 IKAARN Cc1nn(Cc2nc(-c3ccc(NC(=O)c4cc(F)ccc4F)cc3)oc2C)c(C)c1C ZINC000096397355 569399575 /nfs/dbraw/zinc/39/95/75/569399575.db2.gz REVQYSRRYMUJIB-UHFFFAOYSA-N 0 0 436.462 5.351 50 0 IKAARN CCn1c(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)n[nH]2)cc2c1cccc2OC ZINC000096398642 569399697 /nfs/dbraw/zinc/39/96/97/569399697.db2.gz IFZOJQZELZEZGA-UHFFFAOYSA-N 0 0 444.413 5.211 50 0 IKAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)Nc1ccccc1C ZINC000096399024 569399808 /nfs/dbraw/zinc/39/98/08/569399808.db2.gz YVZYRODWVWZOMQ-UHFFFAOYSA-N 0 0 433.577 5.896 50 0 IKAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)Nc1ccc(C)c(C)c1 ZINC000096399019 569399838 /nfs/dbraw/zinc/39/98/38/569399838.db2.gz PWINIUBSXGTFLX-UHFFFAOYSA-N 0 0 447.604 6.204 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)NCc1c2ccccc2n(C)c1-c1cccs1 ZINC000096399088 569399863 /nfs/dbraw/zinc/39/98/63/569399863.db2.gz LQYHLYIVJGQKHU-UHFFFAOYSA-N 0 0 433.533 5.405 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2cc(OC)ccc2OC)c1-c1cccs1 ZINC000096399129 569399870 /nfs/dbraw/zinc/39/98/70/569399870.db2.gz PVLXHXHFQAAVNM-UHFFFAOYSA-N 0 0 435.549 5.729 50 0 IKAARN Cn1c2ccccc2c(CNC(=O)Nc2ccccc2Br)c1-c1cccs1 ZINC000096399095 569399872 /nfs/dbraw/zinc/39/98/72/569399872.db2.gz HYRPKPVRVCMNIY-UHFFFAOYSA-N 0 0 440.366 5.991 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)NCc2c3ccccc3n(C)c2-c2cccs2)cc1 ZINC000096399104 569399880 /nfs/dbraw/zinc/39/98/80/569399880.db2.gz XSWVTJHTGZONDF-UHFFFAOYSA-N 0 0 447.560 5.334 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccc(C)cc1 ZINC000096399251 569399897 /nfs/dbraw/zinc/39/98/97/569399897.db2.gz WZWWPSYZWDNOCD-UHFFFAOYSA-N 0 0 441.000 5.627 50 0 IKAARN Cn1c2ccccc2c(CNC(=O)Nc2cccc(Br)c2)c1-c1cccs1 ZINC000096399097 569399924 /nfs/dbraw/zinc/39/99/24/569399924.db2.gz JNYFWFVNWVQEJS-UHFFFAOYSA-N 0 0 440.366 5.991 50 0 IKAARN CCn1c(-c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)cc2c1cccc2OC ZINC000096400314 569400357 /nfs/dbraw/zinc/40/03/57/569400357.db2.gz YKSGAGLBTCDLEG-UHFFFAOYSA-N 0 0 428.414 5.331 50 0 IKAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096405073 569400632 /nfs/dbraw/zinc/40/06/32/569400632.db2.gz NMLIRZHZVVFJPM-POUWIMNSSA-N 0 0 447.538 5.752 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000021811632 569400914 /nfs/dbraw/zinc/40/09/14/569400914.db2.gz GMEZBUWFUAWPSM-CIVIXNTOSA-N 0 0 447.579 5.211 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C ZINC000021811597 569400939 /nfs/dbraw/zinc/40/09/39/569400939.db2.gz LBGCOKFBMJJJMU-MAYHFWMASA-N 0 0 447.579 5.211 50 0 IKAARN CC1(C)SC(=S)N(Nc2ccccc2)[C@H]1N(O)C(=O)Nc1cccc2ccccc21 ZINC000096564693 569401262 /nfs/dbraw/zinc/40/12/62/569401262.db2.gz JCXUXWREPDYIBJ-IBGZPJMESA-N 0 0 438.578 5.528 50 0 IKAARN COc1ccc(/C(C)=C/[C@](C)(CC(C)(C)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000096576535 569401421 /nfs/dbraw/zinc/40/14/21/569401421.db2.gz PUBDJFKTFGQVMO-LPIQFSCHSA-N 0 0 444.615 7.442 50 0 IKAARN CC(=O)c1c(C)nc2sc(C(=O)Nc3ccc(C)cc3)c(N)c2c1-c1ccc(Cl)cc1 ZINC000096572592 569401435 /nfs/dbraw/zinc/40/14/35/569401435.db2.gz HRJDGHMABBSADM-UHFFFAOYSA-N 0 0 449.963 6.271 50 0 IKAARN COc1ccc2ccccc2c1C(=O)Oc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC000096568827 569401450 /nfs/dbraw/zinc/40/14/50/569401450.db2.gz JZOWBXJFTWSRPU-UHFFFAOYSA-N 0 0 428.875 6.264 50 0 IKAARN COc1ccc([C@]23C[C@H](c4ccccc4)Nc4ccccc4N2C(c2ccccc2)=NO3)cc1 ZINC000096568839 569401454 /nfs/dbraw/zinc/40/14/54/569401454.db2.gz NUGRAODPJRJXDI-GGXMVOPNSA-N 0 0 447.538 6.304 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c(Cl)c1 ZINC000096581013 569401715 /nfs/dbraw/zinc/40/17/15/569401715.db2.gz SNZZTJCWFJGBRL-VWLOTQADSA-N 0 0 433.334 7.393 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000096581957 569401764 /nfs/dbraw/zinc/40/17/64/569401764.db2.gz UPUYLUUVHLZVHO-UHFFFAOYSA-N 0 0 430.891 5.763 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc32)N1c1cccc(OC)c1 ZINC000096582337 569401780 /nfs/dbraw/zinc/40/17/80/569401780.db2.gz KKTAGFBBBWJQPV-VWLOTQADSA-N 0 0 440.503 5.079 50 0 IKAARN CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000096592376 569401851 /nfs/dbraw/zinc/40/18/51/569401851.db2.gz JLAXNZYKTBJPDU-USZFVNFHSA-N 0 0 433.573 5.467 50 0 IKAARN CCCCCCOc1ccc(OC(=O)c2ccc(C34CCC(CCC)(CC3)CC4)cc2)cc1 ZINC000096592280 569401897 /nfs/dbraw/zinc/40/18/97/569401897.db2.gz WHPOSSXKOSQPJS-UHFFFAOYSA-N 0 0 448.647 8.257 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H]1c3c(C)nn(-c4ccccc4)c3SC[C@@H]1C(C)(C)O2 ZINC000096593863 569401966 /nfs/dbraw/zinc/40/19/66/569401966.db2.gz KSHYNOCOVGSEDW-REWPJTCUSA-N 0 0 442.588 5.700 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000096593622 569401978 /nfs/dbraw/zinc/40/19/78/569401978.db2.gz ZVACHOGGXGSWIK-LPDYGMJQSA-N 0 0 446.012 6.381 50 0 IKAARN N#CN1[C@H](c2ccccc2)CC2(c3ccccc3-c3ccccc32)N1c1ccc(Cl)cc1 ZINC000096593757 569401981 /nfs/dbraw/zinc/40/19/81/569401981.db2.gz XOJUJIYJMXUJNG-MHZLTWQESA-N 0 0 433.942 6.914 50 0 IKAARN Brc1ccc(COc2ccc(-c3csc4nc5ccccc5n34)cc2)cc1 ZINC000096593966 569401989 /nfs/dbraw/zinc/40/19/89/569401989.db2.gz WPYFLWULAFGTHM-UHFFFAOYSA-N 0 0 435.346 6.558 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C\c2cccc(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000096594326 569402094 /nfs/dbraw/zinc/40/20/94/569402094.db2.gz PDZJYSPRKNTLAF-CKDIWJPDSA-N 0 0 446.012 6.381 50 0 IKAARN O=C1S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1CN1CCCCC1 ZINC000334163162 569402170 /nfs/dbraw/zinc/40/21/70/569402170.db2.gz NCQXQLVBCUXYNH-STZFKDTASA-N 0 0 442.968 5.399 50 0 IKAARN CC(C)(C)c1cc(C(=O)CN2c3ccccc3N3CCCCN=C23)cc(C(C)(C)C)c1O ZINC000334163492 569402249 /nfs/dbraw/zinc/40/22/49/569402249.db2.gz UYRQJSLZUFWSDH-UHFFFAOYSA-N 0 0 433.596 5.646 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000096791825 569402339 /nfs/dbraw/zinc/40/23/39/569402339.db2.gz JFUUSLWVEXRTFH-UHFFFAOYSA-N 0 0 448.533 5.108 50 0 IKAARN Cc1nc(COc2ccccc2/C=C\C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cs1 ZINC000096936719 569402653 /nfs/dbraw/zinc/40/26/53/569402653.db2.gz KSNKFYJYNQLBAN-DVESRUBUSA-N 0 0 444.560 5.107 50 0 IKAARN COc1ccc(OC)c(NC(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)c1 ZINC000096943450 569402659 /nfs/dbraw/zinc/40/26/59/569402659.db2.gz AGQYYEYGVJFPIL-ZHZULCJRSA-N 0 0 425.431 5.485 50 0 IKAARN COc1ccc(C2=NN(C(=O)C3C4CC5CC(C4)CC3C5)[C@H](c3cccc(OC)c3)C2)cc1 ZINC000097165260 569403337 /nfs/dbraw/zinc/40/33/37/569403337.db2.gz QPZFTRJIBJABMA-TVRNDTQASA-N 0 0 444.575 5.454 50 0 IKAARN COc1ccc(C2=NN(C(=O)C3C4CC5CC(C4)CC3C5)[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000097165261 569403423 /nfs/dbraw/zinc/40/34/23/569403423.db2.gz QPZFTRJIBJABMA-ZGRHOKOCSA-N 0 0 444.575 5.454 50 0 IKAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000225539478 569403754 /nfs/dbraw/zinc/40/37/54/569403754.db2.gz SFMYVSQOBPZXJN-MRXNPFEDSA-N 0 0 448.473 5.105 50 0 IKAARN Cc1cccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCc2ccc(F)cc2)c1 ZINC000225541925 569404080 /nfs/dbraw/zinc/40/40/80/569404080.db2.gz CPMBMNAODRAVGH-UHFFFAOYSA-N 0 0 441.531 6.121 50 0 IKAARN CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(OC)cc1)C2 ZINC000055393772 569404315 /nfs/dbraw/zinc/40/43/15/569404315.db2.gz FMRUCFIUYZBGKT-UHFFFAOYSA-N 0 0 427.500 5.383 50 0 biogenic IKAARN COc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 ZINC000002478165 569404640 /nfs/dbraw/zinc/40/46/40/569404640.db2.gz MQVFGYISOQFZAJ-UHFFFAOYSA-N 0 0 442.231 5.236 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(=O)CCSC2=N1 ZINC000002486107 569405103 /nfs/dbraw/zinc/40/51/03/569405103.db2.gz UBBLXTZPYAAYHQ-JOCHJYFZSA-N 0 0 436.533 5.081 50 0 IKAARN O=C(CCc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000002493174 569405466 /nfs/dbraw/zinc/40/54/66/569405466.db2.gz KDAJQSCZYUNEPA-QHCPKHFHSA-N 0 0 439.494 5.045 50 0 IKAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(-c2ccsc2)cc1 ZINC000225620092 569405815 /nfs/dbraw/zinc/40/58/15/569405815.db2.gz JNMHWRIVPZJFAD-OAQYLSRUSA-N 0 0 432.545 5.445 50 0 IKAARN CCCOc1ccc(C(=O)Nc2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000028049137 569406717 /nfs/dbraw/zinc/40/67/17/569406717.db2.gz IMUZGAXISMQKEW-UHFFFAOYSA-N 0 0 447.560 5.069 50 0 IKAARN O=C(CSCCSCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000002534585 569408168 /nfs/dbraw/zinc/40/81/68/569408168.db2.gz RQIDJKJFDYUEOZ-UHFFFAOYSA-N 0 0 429.394 5.037 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2cccc(F)c2)c1C ZINC000002546540 569408872 /nfs/dbraw/zinc/40/88/72/569408872.db2.gz YZSISXMDWSTCCL-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cc1 ZINC000028224977 569409216 /nfs/dbraw/zinc/40/92/16/569409216.db2.gz JAWVDCZYVADRIR-UHFFFAOYSA-N 0 0 445.361 5.002 50 0 IKAARN CCOC(=O)[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1 ZINC000002552321 569409227 /nfs/dbraw/zinc/40/92/27/569409227.db2.gz CJPAHMUGIZQTJL-HSZRJFAPSA-N 0 0 434.875 5.797 50 0 IKAARN CCOc1ccccc1C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C ZINC000028229035 569409254 /nfs/dbraw/zinc/40/92/54/569409254.db2.gz YYLKXFRJOHLILB-UHFFFAOYSA-N 0 0 434.323 5.494 50 0 IKAARN COc1ccc([C@@H]2SCCN2C(=O)Nc2cccc(Cl)c2)cc1Br ZINC000028232287 569409322 /nfs/dbraw/zinc/40/93/22/569409322.db2.gz PJJOBWXASZZBOX-INIZCTEOSA-N 0 0 427.751 5.391 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000028293820 569409562 /nfs/dbraw/zinc/40/95/62/569409562.db2.gz WTOQBBMGVCPZDF-GOSISDBHSA-N 0 0 438.593 5.377 50 0 IKAARN O=C(Sc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000028294782 569409626 /nfs/dbraw/zinc/40/96/26/569409626.db2.gz PBBYIDAYVWQCIC-UHFFFAOYSA-N 0 0 427.312 5.964 50 0 IKAARN Cc1nc2cc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)ccc2n1-c1ccccc1 ZINC000028294774 569409631 /nfs/dbraw/zinc/40/96/31/569409631.db2.gz FTCLDJUSEXPFQO-UHFFFAOYSA-N 0 0 431.495 5.817 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000028294022 569409692 /nfs/dbraw/zinc/40/96/92/569409692.db2.gz MGUBUHKGXVOFKC-FSNWXROXSA-N 0 0 438.569 5.931 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)cc1 ZINC000002578044 569409898 /nfs/dbraw/zinc/40/98/98/569409898.db2.gz WXIYMNZARLGQBC-UHFFFAOYSA-N 0 0 436.540 6.168 50 0 IKAARN Cc1ccc(-n2c(SC(c3ccccc3)c3ccccc3)nnc2-c2ccccc2)cc1C ZINC000002616040 569410134 /nfs/dbraw/zinc/41/01/34/569410134.db2.gz HYYQOABLAIDCCT-UHFFFAOYSA-N 0 0 447.607 7.433 50 0 IKAARN CN1C(=S)N(C)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1c1ccccc1 ZINC000002616108 569410175 /nfs/dbraw/zinc/41/01/75/569410175.db2.gz HDDZDLSQJOMDTH-QHCPKHFHSA-N 0 0 447.991 5.593 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 ZINC000002617117 569410229 /nfs/dbraw/zinc/41/02/29/569410229.db2.gz ZIMBMXNAOZHFMO-IBGZPJMESA-N 0 0 429.516 5.535 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)c(OC)c1 ZINC000002617730 569410378 /nfs/dbraw/zinc/41/03/78/569410378.db2.gz POYFGYXEBDGIRW-SFHVURJKSA-N 0 0 430.854 5.451 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1ccc(Br)cc1F ZINC000002617367 569410417 /nfs/dbraw/zinc/41/04/17/569410417.db2.gz YRUAZILEUUWUJE-UHFFFAOYSA-N 0 0 437.696 5.152 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2-c2ccccc2)cc1 ZINC000002618612 569410485 /nfs/dbraw/zinc/41/04/85/569410485.db2.gz NPVRQQHDNOOQSX-UHFFFAOYSA-N 0 0 437.471 5.196 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000002618421 569410516 /nfs/dbraw/zinc/41/05/16/569410516.db2.gz FZFKGSWAVHRMRC-SECBINFHSA-N 0 0 443.356 5.847 50 0 IKAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2C1 ZINC000002621017 569411059 /nfs/dbraw/zinc/41/10/59/569411059.db2.gz MNKWNWFVPVORAI-CQSZACIVSA-N 0 0 433.895 5.420 50 0 IKAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)Nc1cccc2ccccc21 ZINC000002621511 569411123 /nfs/dbraw/zinc/41/11/23/569411123.db2.gz MVRZCRVJZRVZPV-UHFFFAOYSA-N 0 0 439.338 5.118 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)c(C)n1C ZINC000002620520 569411127 /nfs/dbraw/zinc/41/11/27/569411127.db2.gz AFJULZZRWRXIDH-UHFFFAOYSA-N 0 0 445.592 5.383 50 0 IKAARN O=C(CCCSc1nnc(-c2cccnc2)n1-c1ccccc1F)c1ccc(F)cc1 ZINC000002622477 569411198 /nfs/dbraw/zinc/41/11/98/569411198.db2.gz IYUUWWAVYDYQBQ-UHFFFAOYSA-N 0 0 436.487 5.363 50 0 IKAARN COc1ccccc1-c1ccc2c(N)c(C(=O)Nc3cccc4ncccc43)sc2n1 ZINC000215676220 569411259 /nfs/dbraw/zinc/41/12/59/569411259.db2.gz WWVUXGDRWLSPBV-UHFFFAOYSA-N 0 0 426.501 5.355 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4cccc5ncccc54)c(N)c3cc2C1 ZINC000215674303 569411301 /nfs/dbraw/zinc/41/13/01/569411301.db2.gz OKLHJXLNDNNSBL-MRXNPFEDSA-N 0 0 444.604 6.220 50 0 IKAARN O=C(CSC(=S)N1CCC(Cc2ccccc2)CC1)Nc1cccc2ncccc21 ZINC000215672468 569411344 /nfs/dbraw/zinc/41/13/44/569411344.db2.gz XNQCSFJOGCDFHD-UHFFFAOYSA-N 0 0 435.618 5.146 50 0 IKAARN COc1ccc2oc(C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c2c1 ZINC000002627497 569411851 /nfs/dbraw/zinc/41/18/51/569411851.db2.gz LXWVVRRRZAJGRW-UHFFFAOYSA-N 0 0 441.789 5.218 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc(Br)s1 ZINC000002629542 569412059 /nfs/dbraw/zinc/41/20/59/569412059.db2.gz XHYPRWDXMAOXGF-UHFFFAOYSA-N 0 0 442.290 5.359 50 0 IKAARN C[C@H]1CCCC[C@@H]1n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 ZINC000002629919 569412095 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Cn1c2ccccc2c(C(=O)CSc2n[nH]c(-c3cccs3)n2)c1-c1ccccc1 ZINC000002643926 569413909 /nfs/dbraw/zinc/41/39/09/569413909.db2.gz BZXJPIVQNURQHJ-UHFFFAOYSA-N 0 0 430.558 5.667 50 0 IKAARN Cc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c(C)c1 ZINC000002643184 569413924 /nfs/dbraw/zinc/41/39/24/569413924.db2.gz FGYDRBIICLAPDS-UHFFFAOYSA-N 0 0 444.556 5.439 50 0 IKAARN C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002643147 569413964 /nfs/dbraw/zinc/41/39/64/569413964.db2.gz VUZOIAMLBAQQAD-SFHVURJKSA-N 0 0 441.449 5.480 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2)s1)NC(c1ccccc1)c1ccccc1 ZINC000002644203 569414018 /nfs/dbraw/zinc/41/40/18/569414018.db2.gz CXTJRZFITQOSAV-UHFFFAOYSA-N 0 0 432.574 5.280 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000002644698 569414030 /nfs/dbraw/zinc/41/40/30/569414030.db2.gz OIXCJSWGTDLTJP-CYBMUJFWSA-N 0 0 428.355 5.271 50 0 IKAARN CCCc1nc2ccccc2c(C(=O)OCc2nc(=O)c3c(C)c(C)sc3[nH]2)c1CC ZINC000002644114 569414062 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CC1=C(c2ccc(Cl)cc2)N=C2N=C(C(F)(F)F)NN2[C@H]1c1ccc(Cl)cc1 ZINC000002647871 569414434 /nfs/dbraw/zinc/41/44/34/569414434.db2.gz BXHRQAGOXQFHKI-MRXNPFEDSA-N 0 0 425.241 5.616 50 0 IKAARN O=C(CCCSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 ZINC000002649528 569414511 /nfs/dbraw/zinc/41/45/11/569414511.db2.gz ASIOSBXLKPXYJK-UHFFFAOYSA-N 0 0 425.623 6.191 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(OC(F)(F)F)cc1)CCCCCC3 ZINC000215735599 569414640 /nfs/dbraw/zinc/41/46/40/569414640.db2.gz TWQQTKMVECPDPA-UHFFFAOYSA-N 0 0 435.471 5.688 50 0 IKAARN COc1ccc(Cl)c(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 ZINC000215739802 569414646 /nfs/dbraw/zinc/41/46/46/569414646.db2.gz MHYUMCUWHRDDCK-SFQUDFHCSA-N 0 0 442.302 5.058 50 0 IKAARN Cc1cc(OCC(=O)Nc2cccc(I)c2)c(C(C)C)cc1Cl ZINC000002652450 569414956 /nfs/dbraw/zinc/41/49/56/569414956.db2.gz RFCZFVPISAODDN-UHFFFAOYSA-N 0 0 443.712 5.394 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 ZINC000002652099 569414977 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Cc1cc(C(=O)CSc2cc(Cl)ccc2Cl)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000002660149 569415957 /nfs/dbraw/zinc/41/59/57/569415957.db2.gz DUPKDFBPTFOZIQ-UHFFFAOYSA-N 0 0 448.371 6.164 50 0 IKAARN Cc1noc(C)c1CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000002661648 569416187 /nfs/dbraw/zinc/41/61/87/569416187.db2.gz VKFXZHSDNAFIND-VCHYOVAHSA-N 0 0 445.447 5.163 50 0 IKAARN COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)c1ccc(C(C)C)cc1C(C)C ZINC000002662371 569416230 /nfs/dbraw/zinc/41/62/30/569416230.db2.gz YHTZYTCIQUBBIM-KRWDZBQOSA-N 0 0 438.597 5.590 50 0 IKAARN COc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1OCC(C)C ZINC000002663232 569416298 /nfs/dbraw/zinc/41/62/98/569416298.db2.gz AKVZKCBZHXKKFB-UHFFFAOYSA-N 0 0 429.567 5.126 50 0 IKAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000002663689 569416403 /nfs/dbraw/zinc/41/64/03/569416403.db2.gz AANDXKCPSIULLW-DEOSSOPVSA-N 0 0 438.596 6.522 50 0 IKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)c2c1C ZINC000002663909 569416410 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Cc1ccc(C23C[C@H]4C[C@H](CC(c5csc(NC(=O)c6ccc(F)cc6)n5)(C4)C2)C3)cc1 ZINC000002683860 569416745 /nfs/dbraw/zinc/41/67/45/569416745.db2.gz MNTAAHKIAAZLRN-WANOEJIPSA-N 0 0 446.591 6.633 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002687093 569416829 /nfs/dbraw/zinc/41/68/29/569416829.db2.gz UEGWACPFTJUWQP-UHFFFAOYSA-N 0 0 433.508 5.622 50 0 IKAARN CCSc1nc(-c2ccc(OC)cc2)nc2c1Cc1cc(Br)ccc1O2 ZINC000002688069 569416861 /nfs/dbraw/zinc/41/68/61/569416861.db2.gz GAIWBRPROVXGCN-UHFFFAOYSA-N 0 0 429.339 5.723 50 0 IKAARN Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1 ZINC000002690584 569416967 /nfs/dbraw/zinc/41/69/67/569416967.db2.gz GVVAHQCGYGOVRH-UHFFFAOYSA-N 0 0 429.426 5.301 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)c1 ZINC000002690637 569417035 /nfs/dbraw/zinc/41/70/35/569417035.db2.gz RMLVKGYFLOLLKY-UHFFFAOYSA-N 0 0 443.890 5.642 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)c1 ZINC000002691382 569417206 /nfs/dbraw/zinc/41/72/06/569417206.db2.gz OKPFQQDPIQBUNX-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)CC(C)C)c1Sc1c(F)c(F)c(F)c(F)c1F ZINC000002718658 569418049 /nfs/dbraw/zinc/41/80/49/569418049.db2.gz BOUOLQDKTPMMNH-UHFFFAOYSA-N 0 0 436.446 5.745 50 0 IKAARN COc1cccc([C@]2(C)CC[C@]3(c4ccccc4)Nc4ccc(C(C)(C)C)cc4[C@@]3(C)C2)c1 ZINC000230023811 569417752 /nfs/dbraw/zinc/41/77/52/569417752.db2.gz QCWNAUHWKCFSRM-JFHPUIQFSA-N 0 0 439.643 7.713 50 0 IKAARN Brc1ccccc1-c1nnc(-c2cc(-c3ccccc3)nc3ccccc32)o1 ZINC000002711793 569417804 /nfs/dbraw/zinc/41/78/04/569417804.db2.gz ROESEFLNIDJRKS-UHFFFAOYSA-N 0 0 428.289 6.381 50 0 IKAARN C[C@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714789 569417905 /nfs/dbraw/zinc/41/79/05/569417905.db2.gz OOYFYQMWQFXQDH-GHTZIAJQSA-N 0 0 428.555 6.853 50 0 IKAARN O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000002717819 569417913 /nfs/dbraw/zinc/41/79/13/569417913.db2.gz OZIMPJIDWFRBFH-UHFFFAOYSA-N 0 0 436.846 5.486 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cc(C)ccc2OC)cc1 ZINC000002715174 569417918 /nfs/dbraw/zinc/41/79/18/569417918.db2.gz CODUQDWHAUAHTJ-UHFFFAOYSA-N 0 0 436.515 6.157 50 0 IKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002715012 569417936 /nfs/dbraw/zinc/41/79/36/569417936.db2.gz QNYQTACKFVKPOQ-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN O=c1[nH]c(SCc2ccc(C(F)(F)F)cc2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000002717874 569417949 /nfs/dbraw/zinc/41/79/49/569417949.db2.gz ZBGVUFNRCWXPSB-UHFFFAOYSA-N 0 0 436.846 5.073 50 0 IKAARN CCCCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccccc1 ZINC000028701358 569418010 /nfs/dbraw/zinc/41/80/10/569418010.db2.gz FSQHKRUSOCLJOJ-UHFFFAOYSA-N 0 0 432.907 5.588 50 0 IKAARN COc1cccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2-c2ccccc2)c1OC ZINC000002718490 569418063 /nfs/dbraw/zinc/41/80/63/569418063.db2.gz LLQMGNCTALISLC-UHFFFAOYSA-N 0 0 446.528 5.568 50 0 IKAARN CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721801 569418155 /nfs/dbraw/zinc/41/81/55/569418155.db2.gz BRCBHUBTSDAELR-UHFFFAOYSA-N 0 0 444.397 5.501 50 0 IKAARN Cc1ccc(C(=O)[C@]2(C)[C@H]3c4c(ccc5ccccc54)OC(=O)[C@]32C(=O)c2ccco2)cc1 ZINC000230032033 569418210 /nfs/dbraw/zinc/41/82/10/569418210.db2.gz IZLCZMCKMFJVOT-KEKPKEOLSA-N 0 0 436.463 5.516 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1SCc1ccccc1F)c1ccc(F)cc1 ZINC000002721849 569418240 /nfs/dbraw/zinc/41/82/40/569418240.db2.gz JDTGYWJQANTDLE-UHFFFAOYSA-N 0 0 433.457 5.338 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2cccs2)cc1 ZINC000002722374 569418356 /nfs/dbraw/zinc/41/83/56/569418356.db2.gz KCDZMEWVRYWAPF-UHFFFAOYSA-N 0 0 435.618 5.988 50 0 IKAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)sc3nc12 ZINC000002722911 569418376 /nfs/dbraw/zinc/41/83/76/569418376.db2.gz NOODFJDRVCLSFI-UHFFFAOYSA-N 0 0 427.485 5.262 50 0 IKAARN CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1 ZINC000002724626 569418469 /nfs/dbraw/zinc/41/84/69/569418469.db2.gz NHEWNVZLAZOTAJ-DEOSSOPVSA-N 0 0 434.923 5.311 50 0 IKAARN CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cc1 ZINC000002724764 569418489 /nfs/dbraw/zinc/41/84/89/569418489.db2.gz OHYHAVXDJPCVLX-VWLOTQADSA-N 0 0 432.495 5.189 50 0 IKAARN CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1cccs1 ZINC000002725840 569418591 /nfs/dbraw/zinc/41/85/91/569418591.db2.gz YDBGRBPWSAWHOD-IBGZPJMESA-N 0 0 438.553 5.638 50 0 IKAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccccc1Cc1ccccc1 ZINC000002726221 569418629 /nfs/dbraw/zinc/41/86/29/569418629.db2.gz XLVJLJNBMPOMPS-UHFFFAOYSA-N 0 0 443.359 5.358 50 0 IKAARN CSc1nsc(SC)c1C(=O)Nc1cc(C)n(Cc2c(F)cccc2Cl)n1 ZINC000002728452 569418704 /nfs/dbraw/zinc/41/87/04/569418704.db2.gz DEXNOLWRDMGNLO-UHFFFAOYSA-N 0 0 442.994 5.185 50 0 IKAARN C[C@@H](CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000002731157 569419359 /nfs/dbraw/zinc/41/93/59/569419359.db2.gz HURYXKUDWLUZLB-HNNXBMFYSA-N 0 0 442.441 5.101 50 0 IKAARN Cc1cccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3cccc(C)c3)c2Cl)c1 ZINC000002733275 569419501 /nfs/dbraw/zinc/41/95/01/569419501.db2.gz NDVPYKYTSPCBEM-UHFFFAOYSA-N 0 0 427.762 7.783 50 0 IKAARN CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(OC)cc1 ZINC000230059255 569419670 /nfs/dbraw/zinc/41/96/70/569419670.db2.gz PTFGXILOMBJUPR-WDNCENIBSA-N 0 0 434.580 5.223 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cccc(COc2cccc(Br)c2)c1 ZINC000002753934 569420421 /nfs/dbraw/zinc/42/04/21/569420421.db2.gz MMXVTYNQVWSIKM-UHFFFAOYSA-N 0 0 440.337 5.357 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002757647 569420574 /nfs/dbraw/zinc/42/05/74/569420574.db2.gz RVYLQTOFYCUVNF-MOPGFXCFSA-N 0 0 425.594 5.843 50 0 IKAARN CC[C@@H](NC(=O)c1cnn2c1nc(-c1ccc(OC)cc1)cc2C(F)F)c1ccccc1 ZINC000002770458 569420993 /nfs/dbraw/zinc/42/09/93/569420993.db2.gz ZBGKJQUKDBWPOI-LJQANCHMSA-N 0 0 436.462 5.224 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002785763 569421272 /nfs/dbraw/zinc/42/12/72/569421272.db2.gz QYULMJCXTJWLTD-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN Cc1cccc2sc(NC(=O)c3ccn(COc4cccc(Cl)c4Cl)n3)nc21 ZINC000002787667 569421473 /nfs/dbraw/zinc/42/14/73/569421473.db2.gz OEQJPECGUYJMHQ-UHFFFAOYSA-N 0 0 433.320 5.397 50 0 IKAARN Cc1cc(C)n(Cc2ccc(-c3nc4c5c(ncn4n3)sc(C)c5-c3ccccc3)o2)n1 ZINC000002792103 569421905 /nfs/dbraw/zinc/42/19/05/569421905.db2.gz POFRNZRVTOKKJZ-UHFFFAOYSA-N 0 0 440.532 5.436 50 0 IKAARN C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)c1ccc(C(C)(C)C)cc1 ZINC000002792211 569421945 /nfs/dbraw/zinc/42/19/45/569421945.db2.gz JBYGHBNAKJYHNY-GFCCVEGCSA-N 0 0 426.301 5.839 50 0 IKAARN C[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)c1ccc(C(C)(C)C)cc1 ZINC000002792210 569421948 /nfs/dbraw/zinc/42/19/48/569421948.db2.gz JBYGHBNAKJYHNY-LBPRGKRZSA-N 0 0 426.301 5.839 50 0 IKAARN COc1cc(NC(=O)c2ccccc2Cl)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002793585 569422050 /nfs/dbraw/zinc/42/20/50/569422050.db2.gz XQULNVRZMWEAQH-UHFFFAOYSA-N 0 0 436.316 5.087 50 0 IKAARN O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccc(COCC(F)(F)F)c1 ZINC000002796266 569422160 /nfs/dbraw/zinc/42/21/60/569422160.db2.gz YSKFTLNKUVVSKZ-UHFFFAOYSA-N 0 0 441.812 5.055 50 0 IKAARN Cc1ccc(NC(=O)c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)c(C)c1 ZINC000002797704 569422220 /nfs/dbraw/zinc/42/22/20/569422220.db2.gz QDXXKEDJIQMDMH-HNNXBMFYSA-N 0 0 433.581 5.359 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)n2)cc1 ZINC000002803261 569422550 /nfs/dbraw/zinc/42/25/50/569422550.db2.gz WHQSKJPYAMSKQO-UHFFFAOYSA-N 0 0 438.331 5.935 50 0 IKAARN O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002806297 569422768 /nfs/dbraw/zinc/42/27/68/569422768.db2.gz UIHIANPURKJEBA-UHFFFAOYSA-N 0 0 439.846 5.426 50 0 IKAARN Cc1cccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3OC(=O)c3ccccc3)nc21 ZINC000002825717 569423087 /nfs/dbraw/zinc/42/30/87/569423087.db2.gz UNTRHMOAQJQIJA-UHFFFAOYSA-N 0 0 448.478 6.275 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OCCCOc1ccccc1 ZINC000002821826 569423126 /nfs/dbraw/zinc/42/31/26/569423126.db2.gz UBYIRRGOTDPNGH-HAVVHWLPSA-N 0 0 443.499 5.196 50 0 IKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cc(Cl)ccc1OCCOc1ccccc1 ZINC000002823895 569423172 /nfs/dbraw/zinc/42/31/72/569423172.db2.gz YRJFVATXLKVKMA-RCCKNPSSSA-N 0 0 437.854 5.281 50 0 IKAARN Cc1cccc(NCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)c1 ZINC000002887743 569424148 /nfs/dbraw/zinc/42/41/48/569424148.db2.gz VVXXEVWOVZGGPW-UHFFFAOYSA-N 0 0 439.890 5.765 50 0 IKAARN CCOc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1 ZINC000002887672 569424194 /nfs/dbraw/zinc/42/41/94/569424194.db2.gz CYGUGFOMYGHVKJ-UHFFFAOYSA-N 0 0 436.364 5.490 50 0 IKAARN O=C(CNc1cccc2ccccc21)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000002887737 569424203 /nfs/dbraw/zinc/42/42/03/569424203.db2.gz LXZGXYQLEUHZOZ-UHFFFAOYSA-N 0 0 441.478 5.957 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(OCc4c(Cl)cccc4Cl)ccc3o2)cc1 ZINC000002886915 569424206 /nfs/dbraw/zinc/42/42/06/569424206.db2.gz CWKIJXAVUVFWKW-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 IKAARN CCCOc1ccc(-c2csc(NC(=O)COc3ccccc3)c2C(=O)OC)cc1 ZINC000002889746 569424302 /nfs/dbraw/zinc/42/43/02/569424302.db2.gz HYJRPQWNDZCXPM-UHFFFAOYSA-N 0 0 425.506 5.008 50 0 IKAARN CCOc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3C)c2C(=O)OC)cc1 ZINC000002889790 569424304 /nfs/dbraw/zinc/42/43/04/569424304.db2.gz FAUMDIFTDFYNKK-UHFFFAOYSA-N 0 0 439.533 5.235 50 0 IKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002889704 569424345 /nfs/dbraw/zinc/42/43/45/569424345.db2.gz JWPZOWZKPJKNNV-UHFFFAOYSA-N 0 0 440.735 6.414 50 0 IKAARN CCOC(=O)c1c(=O)n(Cc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000002890004 569424370 /nfs/dbraw/zinc/42/43/70/569424370.db2.gz VXHINZXORTZVLA-UHFFFAOYSA-N 0 0 444.918 5.456 50 0 IKAARN CCC(C)(C)c1ccc(OCCCCN2C(=O)c3ccccc3C2=O)c(C(C)(C)CC)c1 ZINC000002902520 569424625 /nfs/dbraw/zinc/42/46/25/569424625.db2.gz SZVXYBSILNFQGK-UHFFFAOYSA-N 0 0 435.608 6.517 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000002908521 569424627 /nfs/dbraw/zinc/42/46/27/569424627.db2.gz VXPWAHVCVJAGRX-UHFFFAOYSA-N 0 0 437.923 5.993 50 0 biogenic IKAARN O=C(N[C@@H](Sc1ccccn1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000002905415 569424636 /nfs/dbraw/zinc/42/46/36/569424636.db2.gz BYDDIUOHSLUSGO-ZDUSSCGKSA-N 0 0 430.571 5.607 50 0 IKAARN O=C(NC1CCCCCCC1)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl ZINC000002912731 569424925 /nfs/dbraw/zinc/42/49/25/569424925.db2.gz CASFXAOWAVNOJL-JOCHJYFZSA-N 0 0 428.935 5.405 50 0 IKAARN COc1ccc(Br)cc1[C@H]1CC(c2cccs2)=Nc2nc3ccccc3n21 ZINC000002916025 569425083 /nfs/dbraw/zinc/42/50/83/569425083.db2.gz JMNBQHMPQFWZLM-GOSISDBHSA-N 0 0 438.350 5.925 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cc(Cl)ccc3OC(F)F)C2)cc1 ZINC000002918807 569425234 /nfs/dbraw/zinc/42/52/34/569425234.db2.gz ZJYMVTYEDVDYOQ-OAQYLSRUSA-N 0 0 437.877 6.656 50 0 IKAARN COc1cccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc4ccccc4n32)c1OC(F)F ZINC000002918578 569425238 /nfs/dbraw/zinc/42/52/38/569425238.db2.gz SRHTVVDWVLQCFN-HXUWFJFHSA-N 0 0 437.421 5.841 50 0 IKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cc(Cl)ccc3OC(F)F)C2)cc1 ZINC000002918798 569425253 /nfs/dbraw/zinc/42/52/53/569425253.db2.gz ISUFKRTUVJCTBQ-HXUWFJFHSA-N 0 0 441.840 6.486 50 0 IKAARN COc1ccc(OC)c(Nc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)c1 ZINC000002921818 569425388 /nfs/dbraw/zinc/42/53/88/569425388.db2.gz OYRXHRULZYTYGF-UHFFFAOYSA-N 0 0 431.561 5.922 50 0 IKAARN O=C(NCCc1ccccc1)c1cccnc1SCc1cccc(Br)c1 ZINC000002922076 569425397 /nfs/dbraw/zinc/42/53/97/569425397.db2.gz ICSUITPMUKVYIP-UHFFFAOYSA-N 0 0 427.367 5.109 50 0 IKAARN COc1ccccc1CNC(=O)c1cccnc1SCc1cccc(Br)c1 ZINC000002922085 569425407 /nfs/dbraw/zinc/42/54/07/569425407.db2.gz VMODSOYCQHBLFN-UHFFFAOYSA-N 0 0 443.366 5.075 50 0 IKAARN O=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000002923654 569425510 /nfs/dbraw/zinc/42/55/10/569425510.db2.gz FIJVDFVBLZYGNV-CQSZACIVSA-N 0 0 439.589 5.668 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)CCn4c5ccccc5oc4=S)ccc3O)nc2c1 ZINC000002923407 569425519 /nfs/dbraw/zinc/42/55/19/569425519.db2.gz LQXICYMNYNBIBH-UHFFFAOYSA-N 0 0 445.500 5.815 50 0 biogenic IKAARN Cc1cc(-n2c(=O)c3sccc3nc2SCc2ccccc2Cl)ccc1Cl ZINC000002925041 569425521 /nfs/dbraw/zinc/42/55/21/569425521.db2.gz BKYYHYIWNCIXDW-UHFFFAOYSA-N 0 0 433.385 6.355 50 0 IKAARN CCN(CC)c1nc(C)nc2sc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)c21 ZINC000002925963 569425649 /nfs/dbraw/zinc/42/56/49/569425649.db2.gz VPUXVYUHGSZLRL-UHFFFAOYSA-N 0 0 436.625 5.249 50 0 IKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2ccc(C(C)(C)C)cc2)cc1C ZINC000002925212 569425651 /nfs/dbraw/zinc/42/56/51/569425651.db2.gz OOJFKYGKHDASFE-UHFFFAOYSA-N 0 0 434.630 6.654 50 0 IKAARN COc1ccc(NC(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)cc1Cl ZINC000002926835 569425749 /nfs/dbraw/zinc/42/57/49/569425749.db2.gz HJJZEERQELEHJB-UHFFFAOYSA-N 0 0 438.940 5.682 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C ZINC000002926904 569425759 /nfs/dbraw/zinc/42/57/59/569425759.db2.gz JUBJBRUFVKFLEH-UHFFFAOYSA-N 0 0 446.532 5.197 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2cc(C)ccc2C)c1C ZINC000002928630 569425985 /nfs/dbraw/zinc/42/59/85/569425985.db2.gz FDPCHWKZWYENLZ-UHFFFAOYSA-N 0 0 434.536 5.294 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000002928934 569426038 /nfs/dbraw/zinc/42/60/38/569426038.db2.gz CPZJSOQMSVGJRW-DEOSSOPVSA-N 0 0 430.548 5.224 50 0 IKAARN COc1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1Cl ZINC000002937880 569426346 /nfs/dbraw/zinc/42/63/46/569426346.db2.gz UMFKBNKZTYDQRQ-UHFFFAOYSA-N 0 0 439.298 5.558 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12 ZINC000002938055 569426410 /nfs/dbraw/zinc/42/64/10/569426410.db2.gz SJVSRFOBAKMTSC-UHFFFAOYSA-N 0 0 432.907 5.522 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000002940022 569426478 /nfs/dbraw/zinc/42/64/78/569426478.db2.gz MOBLZQGXQAXDME-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)c1 ZINC000002939940 569426480 /nfs/dbraw/zinc/42/64/80/569426480.db2.gz ZWGLOANHKRMBPK-UHFFFAOYSA-N 0 0 443.499 5.818 50 0 IKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000002939910 569426519 /nfs/dbraw/zinc/42/65/19/569426519.db2.gz HWAZRXLRESXEEX-UHFFFAOYSA-N 0 0 448.316 6.092 50 0 IKAARN CCc1ccc(Sc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000002941435 569426635 /nfs/dbraw/zinc/42/66/35/569426635.db2.gz QJXXUPNPDMLTBG-UHFFFAOYSA-N 0 0 426.585 6.229 50 0 IKAARN O=C(CSc1nc2ccccc2c(NCCc2ccccc2)n1)Nc1ccccc1Cl ZINC000002941520 569426681 /nfs/dbraw/zinc/42/66/81/569426681.db2.gz XJZGOFAFMURLHG-UHFFFAOYSA-N 0 0 448.979 5.669 50 0 IKAARN CC(=O)n1c(/C=C2/N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)cc2ccccc21 ZINC000002945903 569426884 /nfs/dbraw/zinc/42/68/84/569426884.db2.gz GMKPZXHLEIQXFI-DBJUCQNNSA-N 0 0 425.271 5.618 50 0 IKAARN O=C1CS[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002947507 569427040 /nfs/dbraw/zinc/42/70/40/569427040.db2.gz NGVMKBALMRRSKS-HHHXNRCGSA-N 0 0 439.536 7.050 50 0 IKAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002947440 569427069 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AOIOHQKUCPPERG-UHFFFAOYSA-N 0 0 449.498 5.192 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c1 ZINC000057472777 569435619 /nfs/dbraw/zinc/43/56/19/569435619.db2.gz YPIXCCCYXMBZNQ-UHFFFAOYSA-N 0 0 449.963 5.137 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)cc1C ZINC000057473525 569435723 /nfs/dbraw/zinc/43/57/23/569435723.db2.gz FYXGRKUHHHBHPV-UHFFFAOYSA-N 0 0 449.601 5.048 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 ZINC000057478605 569435856 /nfs/dbraw/zinc/43/58/56/569435856.db2.gz LMMFUVWUTGQWNZ-UHFFFAOYSA-N 0 0 443.638 5.578 50 0 IKAARN Cc1ccc(CNC(=O)c2cccnc2SCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000003021098 569435920 /nfs/dbraw/zinc/43/59/20/569435920.db2.gz YIPANLPDLNPSMX-UHFFFAOYSA-N 0 0 433.577 5.174 50 0 IKAARN CCCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F ZINC000003021941 569436003 /nfs/dbraw/zinc/43/60/03/569436003.db2.gz HZMHISSWGQBUPL-UHFFFAOYSA-N 0 0 447.359 5.196 50 0 IKAARN CCCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000003024208 569436176 /nfs/dbraw/zinc/43/61/76/569436176.db2.gz IEDAGVNJCMEEGY-UHFFFAOYSA-N 0 0 447.359 5.196 50 0 IKAARN Cc1nn2c(nc(CN(Cc3c(F)cccc3Cl)[C@@H]3CCC[C@@H](C)[C@H]3C)cc2=O)s1 ZINC000230094562 569436198 /nfs/dbraw/zinc/43/61/98/569436198.db2.gz NBVDQWMITURYPV-ARGWCVDVSA-N 0 0 448.995 5.079 50 0 IKAARN CCOc1ccccc1-n1c2[nH]c(=S)n(-c3ccccc3F)c(=O)c2sc1=S ZINC000003026967 569436306 /nfs/dbraw/zinc/43/63/06/569436306.db2.gz CRYSWLKBLYKONQ-UHFFFAOYSA-N 0 0 431.539 5.168 50 0 IKAARN COc1ccccc1-n1c(SC)nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c1=O ZINC000003027101 569436323 /nfs/dbraw/zinc/43/63/23/569436323.db2.gz GWGLSVFBSBIRLO-UHFFFAOYSA-N 0 0 441.603 5.315 50 0 IKAARN CCc1ccc(-n2c3nc(SC)n(-c4ccc(F)cc4)c(=O)c3sc2=S)cc1 ZINC000003027096 569436330 /nfs/dbraw/zinc/43/63/30/569436330.db2.gz VPWQGWHXAQDLTQ-UHFFFAOYSA-N 0 0 429.567 5.391 50 0 IKAARN CCCCSCCCNC(=O)c1cc(Sc2nnc(C)s2)nc2ccccc21 ZINC000003027438 569436342 /nfs/dbraw/zinc/43/63/42/569436342.db2.gz RSQKTDQDZCGBLI-UHFFFAOYSA-N 0 0 432.640 5.199 50 0 IKAARN CCOc1ccc(-n2c(SC)nc3c(sc(=S)n3-c3ccccc3C)c2=O)cc1 ZINC000003027108 569436344 /nfs/dbraw/zinc/43/63/44/569436344.db2.gz SNAXKDFMRYHJIA-UHFFFAOYSA-N 0 0 441.603 5.396 50 0 IKAARN COc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1OC ZINC000057486340 569436432 /nfs/dbraw/zinc/43/64/32/569436432.db2.gz XPKHDKICBJQJQM-UHFFFAOYSA-N 0 0 448.588 6.184 50 0 IKAARN CCOc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 ZINC000057486339 569436453 /nfs/dbraw/zinc/43/64/53/569436453.db2.gz XRBQCDCNQYLYCU-UHFFFAOYSA-N 0 0 432.589 6.565 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c(C)c1 ZINC000057486347 569436458 /nfs/dbraw/zinc/43/64/58/569436458.db2.gz UXJKGDQFHFQKLW-UHFFFAOYSA-N 0 0 430.617 7.092 50 0 IKAARN CCOC(=O)CCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000003028719 569436523 /nfs/dbraw/zinc/43/65/23/569436523.db2.gz FFFDXGQMTJOUHP-UHFFFAOYSA-N 0 0 449.588 5.048 50 0 IKAARN CCc1ccccc1NC(=S)N(Cc1cn(CC)c2ccccc12)Cc1ccccc1 ZINC000003029309 569436539 /nfs/dbraw/zinc/43/65/39/569436539.db2.gz DOZDSAROCUJSQQ-UHFFFAOYSA-N 0 0 427.617 6.623 50 0 IKAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1Cl ZINC000057487269 569436703 /nfs/dbraw/zinc/43/67/03/569436703.db2.gz VUMASBVRVDTFTM-UHFFFAOYSA-N 0 0 431.254 5.290 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3ccsc3c2=O)c1 ZINC000057487411 569436747 /nfs/dbraw/zinc/43/67/47/569436747.db2.gz XVNICVXDCVHXFE-UHFFFAOYSA-N 0 0 449.601 5.610 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3ccsc3c2=O)c1 ZINC000057487421 569436761 /nfs/dbraw/zinc/43/67/61/569436761.db2.gz PIYPCGKDAGIXHT-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1)c1cccc(C)c1 ZINC000057487388 569436767 /nfs/dbraw/zinc/43/67/67/569436767.db2.gz AXBVJLXLKMFXFV-UHFFFAOYSA-N 0 0 449.601 5.209 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)cc1 ZINC000057487748 569436820 /nfs/dbraw/zinc/43/68/20/569436820.db2.gz QTDNEURQHWWCQF-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1 ZINC000057487686 569436827 /nfs/dbraw/zinc/43/68/27/569436827.db2.gz BGSKKQVFZWWPIO-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 ZINC000057487714 569436835 /nfs/dbraw/zinc/43/68/35/569436835.db2.gz JEHOMPRVQGQPCN-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)c(C)c1 ZINC000057488257 569436927 /nfs/dbraw/zinc/43/69/27/569436927.db2.gz DVNPNFMKVOXCMW-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c(C)c1 ZINC000057488578 569436934 /nfs/dbraw/zinc/43/69/34/569436934.db2.gz VXLQJIXKNJLCRY-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccsc3c2=O)c(C)c1 ZINC000057488662 569436991 /nfs/dbraw/zinc/43/69/91/569436991.db2.gz LFFIHLDPGVZHSG-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CC(C)CCNC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000003033193 569437815 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IKAARN Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NCCc4ccc(Cl)cc4)cnn3c2C)c1 ZINC000003035059 569437960 /nfs/dbraw/zinc/43/79/60/569437960.db2.gz ZTXJLUDPGUANIC-UHFFFAOYSA-N 0 0 446.982 5.180 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000003039933 569438015 /nfs/dbraw/zinc/43/80/15/569438015.db2.gz OCFHOXQFLDBKMJ-UHFFFAOYSA-N 0 0 439.367 6.623 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccccc2F)N1Cc1ccccc1Cl ZINC000003038983 569438049 /nfs/dbraw/zinc/43/80/49/569438049.db2.gz WAXIXOICWXVNIP-QHCPKHFHSA-N 0 0 428.935 5.114 50 0 IKAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1Cl ZINC000003040070 569438082 /nfs/dbraw/zinc/43/80/82/569438082.db2.gz NHEIFIBGZWRMLH-JOCHJYFZSA-N 0 0 431.363 5.238 50 0 IKAARN Cc1cccc(CN2c3cc(C(=O)NC4CCCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000003040754 569438414 /nfs/dbraw/zinc/43/84/14/569438414.db2.gz FVZDELVQJKXAGD-UHFFFAOYSA-N 0 0 442.584 5.979 50 0 IKAARN O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1C(F)(F)F ZINC000003041631 569438476 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CC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1Sc1ccc(F)cc1 ZINC000003048839 569438849 /nfs/dbraw/zinc/43/88/49/569438849.db2.gz WGYJNHSQLZKMJR-UHFFFAOYSA-N 0 0 442.943 5.561 50 0 IKAARN CC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2)ccc1Sc1ccc(Cl)cc1 ZINC000003048888 569438906 /nfs/dbraw/zinc/43/89/06/569438906.db2.gz PSUGDYAWSRLRAT-UHFFFAOYSA-N 0 0 428.916 5.519 50 0 IKAARN CCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003050077 569438969 /nfs/dbraw/zinc/43/89/69/569438969.db2.gz FBZIHQFUCLKKLG-UHFFFAOYSA-N 0 0 434.536 5.667 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Sc1ccc(C)cc1 ZINC000003049184 569438970 /nfs/dbraw/zinc/43/89/70/569438970.db2.gz FPVYJPIHYGUWSC-QHCPKHFHSA-N 0 0 430.573 5.912 50 0 IKAARN Cc1ccccc1-n1c(CSc2cccc(Cl)c2)nc2ccc(Cl)cc2c1=O ZINC000003050390 569439167 /nfs/dbraw/zinc/43/91/67/569439167.db2.gz DBTONJYOTXVQLR-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)C(Cl)(Cl)Cl ZINC000003051013 569439187 /nfs/dbraw/zinc/43/91/87/569439187.db2.gz 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O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000003227406 569442210 /nfs/dbraw/zinc/44/22/10/569442210.db2.gz STYWXAGVKYOCNA-SFHVURJKSA-N 0 0 448.375 5.406 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000003229084 569442226 /nfs/dbraw/zinc/44/22/26/569442226.db2.gz XWFIGLWQMZTMQG-GFCCVEGCSA-N 0 0 441.965 5.675 50 0 IKAARN Cc1cc(SCC(=O)OCC(=O)c2ccc(Cl)s2)c(C)cc1Br ZINC000003228821 569442255 /nfs/dbraw/zinc/44/22/55/569442255.db2.gz SWXCYDBIQNSXCJ-UHFFFAOYSA-N 0 0 433.776 5.299 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000003229083 569442273 /nfs/dbraw/zinc/44/22/73/569442273.db2.gz XWFIGLWQMZTMQG-LBPRGKRZSA-N 0 0 441.965 5.675 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C)cc12 ZINC000003231935 569442288 /nfs/dbraw/zinc/44/22/88/569442288.db2.gz DADKTBRLQFNEMN-UHFFFAOYSA-N 0 0 439.924 5.153 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000003230839 569442306 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Cc1cc(C)c(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C)c1 ZINC000003239179 569442519 /nfs/dbraw/zinc/44/25/19/569442519.db2.gz ASGRUGIOIQZBDD-UHFFFAOYSA-N 0 0 430.715 5.133 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1c(Cl)cccc1Cl ZINC000003237749 569442532 /nfs/dbraw/zinc/44/25/32/569442532.db2.gz WWUKQKISELTZQO-UHFFFAOYSA-N 0 0 429.329 5.458 50 0 IKAARN Cc1cc(SCC(=O)OCC(=O)c2ccccc2Cl)c(C)cc1Br ZINC000003240433 569442558 /nfs/dbraw/zinc/44/25/58/569442558.db2.gz GNUVRERAHRQBEP-UHFFFAOYSA-N 0 0 427.747 5.238 50 0 IKAARN O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003242528 569442610 /nfs/dbraw/zinc/44/26/10/569442610.db2.gz DDLFEHQXCUYSBK-UHFFFAOYSA-N 0 0 447.391 5.709 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000003243177 569442628 /nfs/dbraw/zinc/44/26/28/569442628.db2.gz KUYFMVVUNPBNMO-UHFFFAOYSA-N 0 0 448.975 6.138 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1(c2ccc(F)cc2)CCCC1 ZINC000003242437 569442633 /nfs/dbraw/zinc/44/26/33/569442633.db2.gz UMWPCCRMCSCCQU-UHFFFAOYSA-N 0 0 442.559 7.067 50 0 IKAARN O=c1c2c(-c3ccc(Cc4ccccc4)cc3)csc2[nH]c(=S)n1-c1ccccc1 ZINC000003243088 569442643 /nfs/dbraw/zinc/44/26/43/569442643.db2.gz XEPKDFOLAUZJNY-UHFFFAOYSA-N 0 0 426.566 6.368 50 0 IKAARN O=C(CSc1ncnc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003245871 569442719 /nfs/dbraw/zinc/44/27/19/569442719.db2.gz UEWVIOYNEFQMOG-UHFFFAOYSA-N 0 0 431.361 5.398 50 0 IKAARN CCc1nc2ccccc2c(C(=O)OCC(=O)N(CC)c2cccc3ccccc32)c1C ZINC000003246822 569442751 /nfs/dbraw/zinc/44/27/51/569442751.db2.gz YSXLJGGNXICHPC-UHFFFAOYSA-N 0 0 426.516 5.469 50 0 IKAARN O=C(Nc1nnc(C2CC2)s1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000003246585 569442762 /nfs/dbraw/zinc/44/27/62/569442762.db2.gz QLGZYENSTPXJEQ-UHFFFAOYSA-N 0 0 433.320 5.227 50 0 IKAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000003247437 569442798 /nfs/dbraw/zinc/44/27/98/569442798.db2.gz BUDUBFQRUFSWJD-UHFFFAOYSA-N 0 0 442.418 5.176 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030479524 569442816 /nfs/dbraw/zinc/44/28/16/569442816.db2.gz RJGMQTAQOQXVLH-UHFFFAOYSA-N 0 0 437.499 5.497 50 0 IKAARN C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003252473 569442964 /nfs/dbraw/zinc/44/29/64/569442964.db2.gz MIJYCUKEMITICC-QGZVFWFLSA-N 0 0 427.456 5.522 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000003253640 569443039 /nfs/dbraw/zinc/44/30/39/569443039.db2.gz GXWOLPUBDDXKDY-RUZDIDTESA-N 0 0 449.478 5.029 50 0 IKAARN S=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000003257355 569443120 /nfs/dbraw/zinc/44/31/20/569443120.db2.gz FBKAUKILGNTSCG-UHFFFAOYSA-N 0 0 440.208 5.488 50 0 IKAARN CC[C@@H](C)n1c(SCC(=O)N(C)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000003257796 569443136 /nfs/dbraw/zinc/44/31/36/569443136.db2.gz XTSSHKGRCYHRMS-OAHLLOKOSA-N 0 0 447.670 5.191 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)CSc2ncnc3ccccc32)cc1 ZINC000003259975 569443182 /nfs/dbraw/zinc/44/31/82/569443182.db2.gz KCXSYSPBXFUZSQ-UHFFFAOYSA-N 0 0 428.561 5.907 50 0 IKAARN C[C@@H]1CCCC[C@@H]1n1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCCC2)c1=S ZINC000003259378 569443188 /nfs/dbraw/zinc/44/31/88/569443188.db2.gz COXAQTAYYXUWOZ-KNQAVFIVSA-N 0 0 426.674 6.573 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000030525543 569443211 /nfs/dbraw/zinc/44/32/11/569443211.db2.gz YKAAYVHNRNJWPU-UHFFFAOYSA-N 0 0 433.122 5.184 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1sc2cc(F)ccc2c1Cl ZINC000003260353 569443234 /nfs/dbraw/zinc/44/32/34/569443234.db2.gz WHKTZAMRFRVZFS-UHFFFAOYSA-N 0 0 442.968 6.948 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)NCc1ccc(Cl)cc1Cl ZINC000003261942 569443235 /nfs/dbraw/zinc/44/32/35/569443235.db2.gz WQEMLXTUJNVWLG-UHFFFAOYSA-N 0 0 429.372 6.303 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)cc1C ZINC000003260772 569443260 /nfs/dbraw/zinc/44/32/60/569443260.db2.gz GLEZCEHBZHRIAP-UHFFFAOYSA-N 0 0 440.381 5.331 50 0 IKAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1)OCc1ccccc1 ZINC000003262634 569443299 /nfs/dbraw/zinc/44/32/99/569443299.db2.gz CDIRDAOIDXAJHT-HSZRJFAPSA-N 0 0 447.922 5.298 50 0 IKAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1OC ZINC000003262554 569443300 /nfs/dbraw/zinc/44/33/00/569443300.db2.gz XJKPEVUWVSMYSX-UHFFFAOYSA-N 0 0 427.913 5.318 50 0 IKAARN O=c1c2ccccc2nc(SCc2cc(OC(F)F)ccc2Cl)n1-c1ccccc1 ZINC000003264467 569443375 /nfs/dbraw/zinc/44/33/75/569443375.db2.gz QMPDYLVDSHWGJB-UHFFFAOYSA-N 0 0 444.890 5.933 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000003263712 569443378 /nfs/dbraw/zinc/44/33/78/569443378.db2.gz YTGYNUHKFUYZCF-UHFFFAOYSA-N 0 0 437.927 5.264 50 0 IKAARN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000003265935 569443395 /nfs/dbraw/zinc/44/33/95/569443395.db2.gz WCMJCOYMMYRCPN-UHFFFAOYSA-N 0 0 431.495 6.128 50 0 IKAARN CC(C)(C)c1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000003265799 569443433 /nfs/dbraw/zinc/44/34/33/569443433.db2.gz KTDBRWYRFDQJQO-UHFFFAOYSA-N 0 0 426.560 5.000 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(Nc3c(C)cccc3C)s2)c1 ZINC000003266835 569443435 /nfs/dbraw/zinc/44/34/35/569443435.db2.gz RYAZTSAFRCFFEN-OAHLLOKOSA-N 0 0 426.567 5.220 50 0 IKAARN CCCCCOC(=O)c1c2nc3ccccc3nc2n(-c2ccc(C)cc2)c1NC(=O)CC ZINC000003267750 569443461 /nfs/dbraw/zinc/44/34/61/569443461.db2.gz RXYHJBSUXNMEEZ-UHFFFAOYSA-N 0 0 444.535 5.578 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1)OCc1ccccc1 ZINC000003268793 569443468 /nfs/dbraw/zinc/44/34/68/569443468.db2.gz VVEFHNXOTYCFSB-NRFANRHFSA-N 0 0 443.330 5.470 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3ccc(C)c(C)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000003267357 569443495 /nfs/dbraw/zinc/44/34/95/569443495.db2.gz RNMPBMWMYBHZGM-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN COc1cc2c(cc1NC(=O)COC(=O)CCSc1ccccc1)oc1ccccc12 ZINC000003269465 569443500 /nfs/dbraw/zinc/44/35/00/569443500.db2.gz QHURLJUYKMBMEV-UHFFFAOYSA-N 0 0 435.501 5.259 50 0 IKAARN Cc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 ZINC000003269305 569443518 /nfs/dbraw/zinc/44/35/18/569443518.db2.gz UZNNJZYGNAWUPT-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1OC(F)F ZINC000003271505 569443596 /nfs/dbraw/zinc/44/35/96/569443596.db2.gz OUVGOYKLXZGDBJ-UHFFFAOYSA-N 0 0 429.803 5.091 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003274937 569443675 /nfs/dbraw/zinc/44/36/75/569443675.db2.gz RISMVFFYCNKYBO-DEOSSOPVSA-N 0 0 427.935 6.000 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003274939 569443681 /nfs/dbraw/zinc/44/36/81/569443681.db2.gz RISMVFFYCNKYBO-XMMPIXPASA-N 0 0 427.935 6.000 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)N(C1CCCCC1)C1CCCCC1 ZINC000003274923 569443693 /nfs/dbraw/zinc/44/36/93/569443693.db2.gz SGBUJVMZHXTYKI-UHFFFAOYSA-N 0 0 448.607 5.764 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)c1 ZINC000003274957 569443706 /nfs/dbraw/zinc/44/37/06/569443706.db2.gz ZDHQTYCJGZVSPV-HSZRJFAPSA-N 0 0 442.342 6.076 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1C ZINC000003276534 569443721 /nfs/dbraw/zinc/44/37/21/569443721.db2.gz RZCQTYOVDIIWJG-UHFFFAOYSA-N 0 0 449.494 5.726 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003276488 569443723 /nfs/dbraw/zinc/44/37/23/569443723.db2.gz XJYSDHNHRNMNNU-CQSZACIVSA-N 0 0 434.542 5.159 50 0 IKAARN C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003278565 569443759 /nfs/dbraw/zinc/44/37/59/569443759.db2.gz QWAZMVZSRJQFFQ-JTQLQIEISA-N 0 0 438.694 5.690 50 0 IKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000003276511 569443760 /nfs/dbraw/zinc/44/37/60/569443760.db2.gz VLMRSZABFRXJBF-UHFFFAOYSA-N 0 0 426.463 6.005 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)C1CCCCCC1 ZINC000003279284 569443808 /nfs/dbraw/zinc/44/38/08/569443808.db2.gz QYTHFXHEPKSOAJ-UHFFFAOYSA-N 0 0 435.612 5.522 50 0 IKAARN Cc1sc2ncnc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)c2c1C ZINC000003279382 569443813 /nfs/dbraw/zinc/44/38/13/569443813.db2.gz NWDZWGGMBUXCII-UHFFFAOYSA-N 0 0 432.880 5.106 50 0 IKAARN O=C(CCc1nc2ccccc2s1)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000003281807 569443894 /nfs/dbraw/zinc/44/38/94/569443894.db2.gz XJRPQYPZUYJYPA-UHFFFAOYSA-N 0 0 447.010 5.665 50 0 IKAARN O=C(Nc1ccccc1)c1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003282467 569443973 /nfs/dbraw/zinc/44/39/73/569443973.db2.gz MRXILRIANMJFKW-UHFFFAOYSA-N 0 0 449.535 6.468 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003283166 569443985 /nfs/dbraw/zinc/44/39/85/569443985.db2.gz DDXMKNOPFYDXSY-RUZDIDTESA-N 0 0 425.484 5.694 50 0 IKAARN Cc1ccc(C(C)C)cc1OCC(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000003287808 569444154 /nfs/dbraw/zinc/44/41/54/569444154.db2.gz GSIQUYCYIGRZQJ-UHFFFAOYSA-N 0 0 449.391 6.096 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(C)cc1)N1c3ccccc3C=CC1=N2 ZINC000003290237 569444234 /nfs/dbraw/zinc/44/42/34/569444234.db2.gz CIWBTEWASSYBSP-SANMLTNESA-N 0 0 436.946 6.809 50 0 IKAARN Fc1ccc(-c2csc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c23)cc1 ZINC000003290078 569444241 /nfs/dbraw/zinc/44/42/41/569444241.db2.gz PZRWGVWMOQOQHJ-UHFFFAOYSA-N 0 0 427.504 6.820 50 0 IKAARN CC(C)(C)c1cnc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)o1 ZINC000057992438 569444287 /nfs/dbraw/zinc/44/42/87/569444287.db2.gz UWZDMZAXNRYELA-UHFFFAOYSA-N 0 0 428.945 5.818 50 0 IKAARN COc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003290580 569444335 /nfs/dbraw/zinc/44/43/35/569444335.db2.gz WSMYTJATEZBSPB-UHFFFAOYSA-N 0 0 429.394 5.177 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1C ZINC000003290699 569444396 /nfs/dbraw/zinc/44/43/96/569444396.db2.gz UMYJSFKLNPOXDY-UHFFFAOYSA-N 0 0 438.500 5.648 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003291139 569444398 /nfs/dbraw/zinc/44/43/98/569444398.db2.gz YYEFMJBPRFDPPV-UHFFFAOYSA-N 0 0 428.488 5.415 50 0 IKAARN Cc1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000003292951 569444452 /nfs/dbraw/zinc/44/44/52/569444452.db2.gz IPHVYMFXHBKDKK-VWLOTQADSA-N 0 0 427.573 5.968 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1ccc(F)cc1 ZINC000003293019 569444455 /nfs/dbraw/zinc/44/44/55/569444455.db2.gz NWHNBZTWOCABOQ-UHFFFAOYSA-N 0 0 425.868 5.796 50 0 IKAARN CCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCCCC1 ZINC000058002241 569444459 /nfs/dbraw/zinc/44/44/59/569444459.db2.gz DYXCUYFLLIJQRH-JOCHJYFZSA-N 0 0 439.577 6.738 50 0 biogenic IKAARN CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000003293915 569444527 /nfs/dbraw/zinc/44/45/27/569444527.db2.gz JVWRHLIDDMAKHG-UHFFFAOYSA-N 0 0 434.576 6.421 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Br)ccc1Cl ZINC000003294463 569444575 /nfs/dbraw/zinc/44/45/75/569444575.db2.gz CDKQZYLUSIUBBK-UHFFFAOYSA-N 0 0 438.749 5.087 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3ccccc3C)n2C)c2ccccc2)c1 ZINC000003294924 569444620 /nfs/dbraw/zinc/44/46/20/569444620.db2.gz XWDBWFQHKLJNFH-QHCPKHFHSA-N 0 0 442.588 5.879 50 0 IKAARN COc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)cc1 ZINC000003295134 569444643 /nfs/dbraw/zinc/44/46/43/569444643.db2.gz OJXRFKFBFCHZFL-UHFFFAOYSA-N 0 0 442.385 5.089 50 0 IKAARN Clc1ccccc1OCCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000003299083 569444890 /nfs/dbraw/zinc/44/48/90/569444890.db2.gz PNZVEJZKSKKALD-UHFFFAOYSA-N 0 0 434.392 6.538 50 0 IKAARN COc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)oc1ccccc12 ZINC000003299137 569444911 /nfs/dbraw/zinc/44/49/11/569444911.db2.gz PCSRWFIWGZVOOW-UHFFFAOYSA-N 0 0 443.908 5.051 50 0 IKAARN Clc1ccc(SCc2nc3sc4c(c3c(Sc3ccccc3)n2)CCC4)cc1 ZINC000003299793 569444940 /nfs/dbraw/zinc/44/49/40/569444940.db2.gz QJHTZYZYCOMGGT-UHFFFAOYSA-N 0 0 441.046 7.277 50 0 IKAARN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000058014283 569444950 /nfs/dbraw/zinc/44/49/50/569444950.db2.gz AQGYQZSVWYQBQA-UHFFFAOYSA-N 0 0 449.514 5.136 50 0 IKAARN Cc1ccc(CNC(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003300716 569445030 /nfs/dbraw/zinc/44/50/30/569445030.db2.gz DAGJRVLQBIBVLE-UHFFFAOYSA-N 0 0 442.437 5.231 50 0 IKAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 ZINC000003303367 569445120 /nfs/dbraw/zinc/44/51/20/569445120.db2.gz GOWKIXZZVZDUNT-AUUYWEPGSA-N 0 0 428.508 5.345 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CN(c1nc2ccccc2s1)c1cccc(OC)c1 ZINC000003303440 569445147 /nfs/dbraw/zinc/44/51/47/569445147.db2.gz YHTLXZLXTQGLCT-UHFFFAOYSA-N 0 0 445.588 6.207 50 0 IKAARN Cc1cccc(Nc2nnc(SCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)s2)c1 ZINC000003304114 569445191 /nfs/dbraw/zinc/44/51/91/569445191.db2.gz WDTMNWQOFHQAJL-UHFFFAOYSA-N 0 0 441.607 5.059 50 0 IKAARN CSc1nc2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2s1 ZINC000003306330 569445243 /nfs/dbraw/zinc/44/52/43/569445243.db2.gz ZNNAIHZYQXSYRI-UHFFFAOYSA-N 0 0 443.557 5.518 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccccc1)Nc1ccccc1 ZINC000003307733 569445293 /nfs/dbraw/zinc/44/52/93/569445293.db2.gz NAFUKEHVXHBYKU-UHFFFAOYSA-N 0 0 425.517 5.146 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc(F)cc1Cl ZINC000003308053 569445301 /nfs/dbraw/zinc/44/53/01/569445301.db2.gz SGUIRAQLDFHGOC-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](OC(=O)c1ccccc1O)c1ccccc1 ZINC000003309991 569445412 /nfs/dbraw/zinc/44/54/12/569445412.db2.gz REPRDXSXKMIWRR-IBGZPJMESA-N 0 0 449.812 5.601 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003309970 569445431 /nfs/dbraw/zinc/44/54/31/569445431.db2.gz VAMVUYNJFAFPBU-UHFFFAOYSA-N 0 0 447.840 5.673 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003312011 569445534 /nfs/dbraw/zinc/44/55/34/569445534.db2.gz KWQDYPYTRANPCT-HSZRJFAPSA-N 0 0 449.428 6.395 50 0 IKAARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccc(Cl)s3)c2C1 ZINC000003312145 569445559 /nfs/dbraw/zinc/44/55/59/569445559.db2.gz FHWQRCQBMUWQPQ-CQSZACIVSA-N 0 0 441.980 6.140 50 0 IKAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c2C1 ZINC000003312638 569445568 /nfs/dbraw/zinc/44/55/68/569445568.db2.gz OWHNDSXGHUCCTM-CQSZACIVSA-N 0 0 442.437 5.174 50 0 IKAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003313255 569445596 /nfs/dbraw/zinc/44/55/96/569445596.db2.gz KNCRBALIRRQHEN-UHFFFAOYSA-N 0 0 449.816 5.293 50 0 IKAARN CCOc1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000003314271 569445626 /nfs/dbraw/zinc/44/56/26/569445626.db2.gz RKIYBHHJDYTIHI-UHFFFAOYSA-N 0 0 439.895 5.113 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c1 ZINC000003314190 569445664 /nfs/dbraw/zinc/44/56/64/569445664.db2.gz JQFUFXHJLFLBHK-MUUNZHRXSA-N 0 0 449.550 6.359 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000003315513 569445686 /nfs/dbraw/zinc/44/56/86/569445686.db2.gz KMCRAXZXQQSIBW-CQSZACIVSA-N 0 0 425.575 6.030 50 0 IKAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000003316567 569445742 /nfs/dbraw/zinc/44/57/42/569445742.db2.gz SLGOLWUOMFNIIW-UHFFFAOYSA-N 0 0 425.484 5.778 50 0 IKAARN Cc1cc(C(=O)COC(=O)COc2ccc3ccccc3c2)c(C)n1Cc1cccs1 ZINC000003317974 569445835 /nfs/dbraw/zinc/44/58/35/569445835.db2.gz QUUYICVBVMSACZ-UHFFFAOYSA-N 0 0 433.529 5.173 50 0 IKAARN O=C(Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)c1cnc(Cl)c(Cl)c1 ZINC000003319771 569445862 /nfs/dbraw/zinc/44/58/62/569445862.db2.gz IDKXGNJPTRUDSN-UHFFFAOYSA-N 0 0 446.217 5.645 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 ZINC000003320029 569445918 /nfs/dbraw/zinc/44/59/18/569445918.db2.gz JNFUKCRLKSYKNO-UHFFFAOYSA-N 0 0 428.326 6.774 50 0 IKAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc21 ZINC000003321394 569445957 /nfs/dbraw/zinc/44/59/57/569445957.db2.gz PWPMWNROSITRAB-UHFFFAOYSA-N 0 0 439.393 5.365 50 0 IKAARN COc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)c(C)c2c1 ZINC000003323055 569446073 /nfs/dbraw/zinc/44/60/73/569446073.db2.gz MDYNNZDWNMLKFE-UHFFFAOYSA-N 0 0 447.512 5.697 50 0 IKAARN Cc1ccc(-n2c(SC[C@@H](O)COc3ccccc3)nnc2-c2ccccc2)cc1C ZINC000003323946 569446085 /nfs/dbraw/zinc/44/60/85/569446085.db2.gz NBOFMQHIGSVOMN-QFIPXVFZSA-N 0 0 431.561 5.083 50 0 IKAARN CSc1nc2ccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)cc2s1 ZINC000003323464 569446094 /nfs/dbraw/zinc/44/60/94/569446094.db2.gz YSRYZYPBOQVDMX-UHFFFAOYSA-N 0 0 428.970 5.477 50 0 IKAARN O=C(CSCc1ccc(Cl)c(Cl)c1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000003324349 569446116 /nfs/dbraw/zinc/44/61/16/569446116.db2.gz UTACEWQNMZKRJS-UHFFFAOYSA-N 0 0 449.330 6.202 50 0 IKAARN Cc1cc2oc(=O)cc(C[C@H](C(=O)Nc3ccccc3)C(=O)c3ccccc3)c2cc1C ZINC000003324679 569446119 /nfs/dbraw/zinc/44/61/19/569446119.db2.gz LFMVCDSXAFJQKQ-QHCPKHFHSA-N 0 0 425.484 5.090 50 0 IKAARN CC(C)c1ccc(-c2ncc(CSc3nnc(CN4CCCCCC4=O)o3)s2)cc1 ZINC000003324517 569446171 /nfs/dbraw/zinc/44/61/71/569446171.db2.gz VVEHWXVQXFQRNP-UHFFFAOYSA-N 0 0 442.610 5.511 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000003324207 569446172 /nfs/dbraw/zinc/44/61/72/569446172.db2.gz CNBYSYJODWNUME-IRXDYDNUSA-N 0 0 432.659 5.317 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c(C)c1 ZINC000003325352 569446200 /nfs/dbraw/zinc/44/62/00/569446200.db2.gz DBSOPUYZJVXKIF-UHFFFAOYSA-N 0 0 446.547 5.484 50 0 IKAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000003327679 569446265 /nfs/dbraw/zinc/44/62/65/569446265.db2.gz PRZIHORURBNXRZ-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl ZINC000003326780 569446278 /nfs/dbraw/zinc/44/62/78/569446278.db2.gz HHNXQMBDTBWZSK-SFHVURJKSA-N 0 0 427.759 5.738 50 0 IKAARN O=C(O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc(Br)cc1 ZINC000003329520 569446347 /nfs/dbraw/zinc/44/63/47/569446347.db2.gz WXDGNKXTEZASJN-JOCHJYFZSA-N 0 0 434.289 5.711 50 0 IKAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 ZINC000003330170 569446359 /nfs/dbraw/zinc/44/63/59/569446359.db2.gz IMNBHSIIRPOEOJ-UHFFFAOYSA-N 0 0 431.561 5.428 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(NC[C@H](c4c[nH]c5ccccc54)c4ccccc4)c32)C1 ZINC000003329918 569446362 /nfs/dbraw/zinc/44/63/62/569446362.db2.gz LHVTXOSEZWWMDZ-UWJYYQICSA-N 0 0 438.600 6.541 50 0 IKAARN COc1ccccc1NC(=O)C(=Cc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1OC ZINC000003329496 569446388 /nfs/dbraw/zinc/44/63/88/569446388.db2.gz DJGCMSIKABNSRW-UHFFFAOYSA-N 0 0 444.531 5.488 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(NC[C@H](c4c[nH]c5ccccc54)c4ccccc4)c32)C1 ZINC000003329920 569446397 /nfs/dbraw/zinc/44/63/97/569446397.db2.gz LHVTXOSEZWWMDZ-UTKZUKDTSA-N 0 0 438.600 6.541 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000003332175 569446484 /nfs/dbraw/zinc/44/64/84/569446484.db2.gz HPQHNXFUJHWTBS-UHFFFAOYSA-N 0 0 426.545 5.543 50 0 IKAARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 ZINC000003331739 569446485 /nfs/dbraw/zinc/44/64/85/569446485.db2.gz MAWAJVRPNKNKJH-JOCHJYFZSA-N 0 0 440.553 6.142 50 0 IKAARN Clc1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c1 ZINC000003333479 569446552 /nfs/dbraw/zinc/44/65/52/569446552.db2.gz KJOJAPGKRFZAJN-UHFFFAOYSA-N 0 0 435.936 5.668 50 0 IKAARN C[C@H](OC(=O)CSC(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000003333099 569446557 /nfs/dbraw/zinc/44/65/57/569446557.db2.gz NNVKXEAGBDSWBB-KRWDZBQOSA-N 0 0 430.529 5.050 50 0 IKAARN Cc1cc2nnc(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)n2c2ccccc12 ZINC000003334172 569446611 /nfs/dbraw/zinc/44/66/11/569446611.db2.gz XMHKOOZOKWYFJQ-LLVKDONJSA-N 0 0 432.336 5.012 50 0 IKAARN O=C(CN(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1)N1CCc2ccccc21 ZINC000003334943 569446585 /nfs/dbraw/zinc/44/65/85/569446585.db2.gz TYGOOUZKTZICFO-UHFFFAOYSA-N 0 0 429.520 5.677 50 0 IKAARN Cn1c2ccccc2c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1-c1ccccc1 ZINC000003334830 569446597 /nfs/dbraw/zinc/44/65/97/569446597.db2.gz CHYQMYKQELRICE-UHFFFAOYSA-N 0 0 435.479 5.744 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000003334036 569446601 /nfs/dbraw/zinc/44/66/01/569446601.db2.gz PJHVHDYTIXSNQQ-UHFFFAOYSA-N 0 0 441.459 5.163 50 0 IKAARN COc1ccc(-c2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C)cc1 ZINC000003336758 569446647 /nfs/dbraw/zinc/44/66/47/569446647.db2.gz AXGWIUFOQHJEHD-UHFFFAOYSA-N 0 0 428.557 6.288 50 0 IKAARN C[C@@H](Cc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1N)c1ccccc1 ZINC000003335995 569446654 /nfs/dbraw/zinc/44/66/54/569446654.db2.gz JKKRETNLFBFQSV-SFHVURJKSA-N 0 0 434.609 5.361 50 0 IKAARN O=C(CSc1ccc2c3c(cccc31)CC2)Nc1ccc(OCc2ccccc2)cc1 ZINC000003335627 569446677 /nfs/dbraw/zinc/44/66/77/569446677.db2.gz CWSRWARYVHSUEB-UHFFFAOYSA-N 0 0 425.553 6.248 50 0 IKAARN CCCN(CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc32)oc1=S ZINC000003338173 569446683 /nfs/dbraw/zinc/44/66/83/569446683.db2.gz RARYGNSWANEAEX-UHFFFAOYSA-N 0 0 431.565 5.562 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000003337104 569446708 /nfs/dbraw/zinc/44/67/08/569446708.db2.gz JDPKOGRMCKPHLQ-VWLOTQADSA-N 0 0 448.994 5.433 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 ZINC000003337794 569446730 /nfs/dbraw/zinc/44/67/30/569446730.db2.gz BAHBDEZPUNHUBE-AWEZNQCLSA-N 0 0 431.945 5.546 50 0 IKAARN CC(C)Cc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003337419 569446735 /nfs/dbraw/zinc/44/67/35/569446735.db2.gz GDQKZQNRHJTRDZ-SFHVURJKSA-N 0 0 425.494 7.062 50 0 IKAARN CCc1ccc(NC(=O)COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1 ZINC000003339903 569446826 /nfs/dbraw/zinc/44/68/26/569446826.db2.gz GOWDIYLEMDPOGN-UHFFFAOYSA-N 0 0 437.546 5.459 50 0 IKAARN Cc1sc2nc(S[C@@H](C)C(=O)N(C)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000003340895 569446853 /nfs/dbraw/zinc/44/68/53/569446853.db2.gz DZBKIJXQSWLQAE-KRWDZBQOSA-N 0 0 449.601 5.208 50 0 IKAARN Cc1nc2sc3c(c2c(Oc2ccc4cc(Br)ccc4c2)n1)CC[C@@H](C)C3 ZINC000003340701 569446889 /nfs/dbraw/zinc/44/68/89/569446889.db2.gz HZGWMHOAHJTQGP-GFCCVEGCSA-N 0 0 439.378 6.833 50 0 IKAARN C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003342231 569446918 /nfs/dbraw/zinc/44/69/18/569446918.db2.gz QVPFTTWPWDLXCP-CYBMUJFWSA-N 0 0 430.287 5.550 50 0 IKAARN CC[C@@H](C)c1ccc(-c2cc(C(=O)Nc3ccccc3OC(F)F)c3ccccc3n2)cc1 ZINC000003342358 569446944 /nfs/dbraw/zinc/44/69/44/569446944.db2.gz LXTSILAWWZVMLP-QGZVFWFLSA-N 0 0 446.497 7.269 50 0 IKAARN CSc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2s1 ZINC000003342660 569447001 /nfs/dbraw/zinc/44/70/01/569447001.db2.gz CWITVYODTCJNLX-OAHLLOKOSA-N 0 0 435.574 6.250 50 0 IKAARN COc1ccc(NC(=O)Cc2sc(Nc3ccccc3)nc2-c2ccccc2)cc1Cl ZINC000003344681 569447053 /nfs/dbraw/zinc/44/70/53/569447053.db2.gz KQROKNSKPTXBCG-UHFFFAOYSA-N 0 0 449.963 6.397 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)cc1 ZINC000003345561 569447112 /nfs/dbraw/zinc/44/71/12/569447112.db2.gz ZBUMGOZVDDXWBQ-UHFFFAOYSA-N 0 0 444.560 5.194 50 0 IKAARN O=C(NCc1ccccc1)c1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000003346868 569447173 /nfs/dbraw/zinc/44/71/73/569447173.db2.gz GDXXJXJGIVLLKN-UHFFFAOYSA-N 0 0 443.544 5.740 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000003347221 569447182 /nfs/dbraw/zinc/44/71/82/569447182.db2.gz VTUQUYRILRKYLR-FQEVSTJZSA-N 0 0 430.548 5.999 50 0 IKAARN CCOc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000003347367 569447213 /nfs/dbraw/zinc/44/72/13/569447213.db2.gz AEDZEILYSCWEAV-UHFFFAOYSA-N 0 0 432.501 5.158 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 ZINC000003347458 569447216 /nfs/dbraw/zinc/44/72/16/569447216.db2.gz QPKJNQVKAZCMIE-UHFFFAOYSA-N 0 0 433.489 5.225 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2ccccc2)n1C)c1ccccc1 ZINC000003347395 569447231 /nfs/dbraw/zinc/44/72/31/569447231.db2.gz BKJCFKWABYMSFF-JOCHJYFZSA-N 0 0 444.560 5.271 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 ZINC000003348083 569447258 /nfs/dbraw/zinc/44/72/58/569447258.db2.gz DWAFSKKPTCYQIN-UHFFFAOYSA-N 0 0 443.576 5.239 50 0 IKAARN COc1ccc([C@@H](CNC(=S)c2ccc(NC(C)=O)cc2)c2c[nH]c3ccccc32)cc1 ZINC000003348907 569447281 /nfs/dbraw/zinc/44/72/81/569447281.db2.gz PJKOEARYDFJYRM-HSZRJFAPSA-N 0 0 443.572 5.232 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Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000003354666 569447580 /nfs/dbraw/zinc/44/75/80/569447580.db2.gz DNHNPGYMWAKBEP-UHFFFAOYSA-N 0 0 440.499 5.036 50 0 IKAARN COc1ccc(-c2nnc(SCc3nc4ccccc4nc3C)n2C2CCCCC2)cc1 ZINC000003356749 569447615 /nfs/dbraw/zinc/44/76/15/569447615.db2.gz SQAYXLSYELCMHH-UHFFFAOYSA-N 0 0 445.592 6.003 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 ZINC000003358962 569447776 /nfs/dbraw/zinc/44/77/76/569447776.db2.gz RFQWWDOMKDMOMT-HXUWFJFHSA-N 0 0 449.463 5.077 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000003359344 569447831 /nfs/dbraw/zinc/44/78/31/569447831.db2.gz MZMJAIHMXPJSHI-CQSZACIVSA-N 0 0 426.347 6.560 50 0 IKAARN O=C(O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)C1(c2cccc(F)c2)CCCC1 ZINC000003360643 569447853 /nfs/dbraw/zinc/44/78/53/569447853.db2.gz SIWJQHNCCWHAQY-AREMUKBSSA-N 0 0 441.502 6.286 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3cc(C)c(C)cc3C)nnc2-c2cccs2)cc1 ZINC000003364608 569448112 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IKAARN Cc1cccc(Nc2ccccc2C(=O)NCCC(c2ccccc2)c2ccccc2)c1C ZINC000003439912 569451134 /nfs/dbraw/zinc/45/11/34/569451134.db2.gz JJEFWTJFKOXFMG-UHFFFAOYSA-N 0 0 434.583 6.999 50 0 IKAARN CCc1cccc2c(C(=O)COC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)c[nH]c21 ZINC000003445274 569451330 /nfs/dbraw/zinc/45/13/30/569451330.db2.gz WJGYEVZTILNVGE-UHFFFAOYSA-N 0 0 439.874 5.057 50 0 IKAARN O=C(NCc1ccccc1)c1cc2ccccc2cc1OCc1nnc(-c2cccs2)o1 ZINC000003444504 569451368 /nfs/dbraw/zinc/45/13/68/569451368.db2.gz OWTFWJBRWFSQJD-UHFFFAOYSA-N 0 0 441.512 5.460 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 ZINC000003448891 569451533 /nfs/dbraw/zinc/45/15/33/569451533.db2.gz KJDGJTQKPZTHDY-UHFFFAOYSA-N 0 0 447.560 5.792 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccccc1-c1ccccc1 ZINC000003449065 569451570 /nfs/dbraw/zinc/45/15/70/569451570.db2.gz ADNIDRLVVDGLNJ-UHFFFAOYSA-N 0 0 426.501 5.616 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](C)c2cccc(O)c2)cc1NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000058245995 569451631 /nfs/dbraw/zinc/45/16/31/569451631.db2.gz MTLFBEVNYQYLJF-SJORKVTESA-N 0 0 448.523 5.172 50 0 IKAARN Clc1cc(Cl)c(OCc2nnc(-c3ccccc3Br)o2)cc1Cl ZINC000003450804 569451639 /nfs/dbraw/zinc/45/16/39/569451639.db2.gz GUQCCDROELBEAU-UHFFFAOYSA-N 0 0 434.504 6.038 50 0 IKAARN C[C@@H](OC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003455340 569451796 /nfs/dbraw/zinc/45/17/96/569451796.db2.gz IPJBZGWOOUYDMQ-UONOGXRCSA-N 0 0 426.563 5.180 50 0 IKAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1-c1ccccc1 ZINC000003457512 569451818 /nfs/dbraw/zinc/45/18/18/569451818.db2.gz AVKYBTUPZPZHQT-UHFFFAOYSA-N 0 0 426.545 5.543 50 0 IKAARN C[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000003458170 569451829 /nfs/dbraw/zinc/45/18/29/569451829.db2.gz ZIEKYJDGMOGCGQ-IBGZPJMESA-N 0 0 440.543 5.051 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)cc1 ZINC000003469777 569452042 /nfs/dbraw/zinc/45/20/42/569452042.db2.gz SHYAYERUJQXJQX-UHFFFAOYSA-N 0 0 426.611 5.510 50 0 IKAARN COc1ccc2c(c1)CCc1cc(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)sc1-2 ZINC000003477369 569452229 /nfs/dbraw/zinc/45/22/29/569452229.db2.gz XIOLLFAZJKMUSH-CYBMUJFWSA-N 0 0 426.921 5.604 50 0 IKAARN Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000003477767 569452232 /nfs/dbraw/zinc/45/22/32/569452232.db2.gz BOFGHVOFHNWQFH-AOMKIAJQSA-N 0 0 430.581 5.635 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)cc1Cl ZINC000003476918 569452238 /nfs/dbraw/zinc/45/22/38/569452238.db2.gz XDVXSYJZGGRYPV-UHFFFAOYSA-N 0 0 425.366 5.188 50 0 IKAARN COc1cccc(CN[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 ZINC000003476720 569452240 /nfs/dbraw/zinc/45/22/40/569452240.db2.gz AREIIBMOMBLEJN-OAQYLSRUSA-N 0 0 448.872 5.837 50 0 IKAARN C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003483109 569452412 /nfs/dbraw/zinc/45/24/12/569452412.db2.gz NHRFRXKVCKLEJD-GFCCVEGCSA-N 0 0 447.274 5.023 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 ZINC000003491102 569452564 /nfs/dbraw/zinc/45/25/64/569452564.db2.gz HACRXGSYGKJJLE-SFHVURJKSA-N 0 0 429.549 5.065 50 0 IKAARN Cc1ccc(CNC(=O)c2ccccc2NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003503965 569452835 /nfs/dbraw/zinc/45/28/35/569452835.db2.gz RPTZRQNDULEVOK-UHFFFAOYSA-N 0 0 427.932 5.526 50 0 IKAARN CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003504316 569452890 /nfs/dbraw/zinc/45/28/90/569452890.db2.gz JYHIRYLYPQXVAK-UHFFFAOYSA-N 0 0 432.574 5.018 50 0 IKAARN CCCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1OC ZINC000058312184 569453008 /nfs/dbraw/zinc/45/30/08/569453008.db2.gz KURUWOQDVYBZOA-RUDMXATFSA-N 0 0 444.959 5.380 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nnc(-c4cccnc4)s3)c3ccccc3n2)cc1 ZINC000003515955 569453104 /nfs/dbraw/zinc/45/31/04/569453104.db2.gz AGMQUFPGCKOGKN-UHFFFAOYSA-N 0 0 439.500 5.076 50 0 IKAARN Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c2cccnc12 ZINC000031094037 569453433 /nfs/dbraw/zinc/45/34/33/569453433.db2.gz OJKYGQGDJBNFPN-UHFFFAOYSA-N 0 0 426.133 5.382 50 0 IKAARN Cc1nnc(NC(=O)CSc2cn(Cc3ccc(Cl)cc3)c3ccccc23)s1 ZINC000003581866 569454352 /nfs/dbraw/zinc/45/43/52/569454352.db2.gz UIJDGJFRTXANCA-UHFFFAOYSA-N 0 0 428.970 5.234 50 0 IKAARN Cc1ccc(C)n1C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000058440261 569454815 /nfs/dbraw/zinc/45/48/15/569454815.db2.gz VSUYZZVLAQJPQE-UHFFFAOYSA-N 0 0 430.474 5.095 50 0 IKAARN COc1ccc(N(CC(=O)c2ccc(C3CCCCC3)cc2)C2=NCCCCC2)c(OC)c1 ZINC000003618657 569455057 /nfs/dbraw/zinc/45/50/57/569455057.db2.gz KHTTZDASURPRQT-UHFFFAOYSA-N 0 0 448.607 6.413 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3n2)cc1 ZINC000003629470 569455177 /nfs/dbraw/zinc/45/51/77/569455177.db2.gz PUCOJQGQWGGGKR-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3n2)cc1 ZINC000003629591 569455183 /nfs/dbraw/zinc/45/51/83/569455183.db2.gz RDKLRYQLCRZDHE-UHFFFAOYSA-N 0 0 440.425 5.293 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000031267311 569455325 /nfs/dbraw/zinc/45/53/25/569455325.db2.gz AKBRJNHADYSRLI-MRXNPFEDSA-N 0 0 430.863 5.253 50 0 IKAARN Cc1cccc(S(=O)(=O)N2CCS[C@H]2c2cccc(OCc3ccccc3)c2)c1 ZINC000003635137 569455434 /nfs/dbraw/zinc/45/54/34/569455434.db2.gz YYONWCZWSRRHSV-QHCPKHFHSA-N 0 0 425.575 5.010 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)[C@@H](Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000003651235 569455716 /nfs/dbraw/zinc/45/57/16/569455716.db2.gz GRRSDGZDLSHUJI-SFHVURJKSA-N 0 0 433.335 5.815 50 0 IKAARN COc1ccc(CNC(=O)c2cc(Sc3ccccc3Cl)nc3ccccc32)cc1 ZINC000003655136 569455729 /nfs/dbraw/zinc/45/57/29/569455729.db2.gz FQRUVILOWMKPII-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000003655138 569455733 /nfs/dbraw/zinc/45/57/33/569455733.db2.gz KPSVAUKIWDENQO-UHFFFAOYSA-N 0 0 448.931 5.698 50 0 IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000003657617 569455825 /nfs/dbraw/zinc/45/58/25/569455825.db2.gz IMPHJMWQTCDAFO-NHCUHLMSSA-N 0 0 426.850 5.167 50 0 IKAARN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000003655944 569455827 /nfs/dbraw/zinc/45/58/27/569455827.db2.gz RLHRMIWFIWGBNA-UHFFFAOYSA-N 0 0 428.454 6.062 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000003659181 569455842 /nfs/dbraw/zinc/45/58/42/569455842.db2.gz GBPGWIJXESEUOO-HSZRJFAPSA-N 0 0 425.575 5.010 50 0 IKAARN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000003658721 569455844 /nfs/dbraw/zinc/45/58/44/569455844.db2.gz OJXUXUKHOMNICI-MRXNPFEDSA-N 0 0 433.533 5.140 50 0 IKAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000003658975 569455869 /nfs/dbraw/zinc/45/58/69/569455869.db2.gz BNGOTYNCJYOMMP-GZTJUZNOSA-N 0 0 428.669 5.707 50 0 IKAARN COc1ccc([C@H]2[C@@H](C(=O)N(C)c3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003661015 569455908 /nfs/dbraw/zinc/45/59/08/569455908.db2.gz HBBWJLHBJYUNGP-UIOOFZCWSA-N 0 0 442.559 5.392 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003669470 569456029 /nfs/dbraw/zinc/45/60/29/569456029.db2.gz YIHYIVGSPYSJCC-UHFFFAOYSA-N 0 0 433.188 6.367 50 0 IKAARN CC1(C)C=C(/C=C/c2ccccc2Cl)n2c(=O)/c(=C/c3ccccc3Cl)sc2=N1 ZINC000003671704 569456130 /nfs/dbraw/zinc/45/61/30/569456130.db2.gz WPJIGIKWFWUPLE-MUUKASMTSA-N 0 0 441.383 5.012 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031393013 569456234 /nfs/dbraw/zinc/45/62/34/569456234.db2.gz ZETJFTZKNARMNJ-GOSISDBHSA-N 0 0 437.952 5.901 50 0 IKAARN C[C@@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccc(Cl)cc1Cl ZINC000031420699 569456345 /nfs/dbraw/zinc/45/63/45/569456345.db2.gz DWDIZUVSTPVRSF-LLVKDONJSA-N 0 0 427.378 5.821 50 0 IKAARN Fc1cc2cccnc2c(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c1 ZINC000031611823 569456886 /nfs/dbraw/zinc/45/68/86/569456886.db2.gz DGBMFZHLUGFCDN-UHFFFAOYSA-N 0 0 433.556 5.233 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000058867784 569457316 /nfs/dbraw/zinc/45/73/16/569457316.db2.gz YBPLQMMWUHVMFO-UKRRQHHQSA-N 0 0 438.837 5.062 50 0 IKAARN Clc1cc(I)c(OCc2nc3ccccc3o2)c2ncccc12 ZINC000031790188 569457431 /nfs/dbraw/zinc/45/74/31/569457431.db2.gz KWOBBTVDHSHRJB-UHFFFAOYSA-N 0 0 436.636 5.213 50 0 IKAARN CC(C)c1c(C(=O)NCCc2cccc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031815012 569457908 /nfs/dbraw/zinc/45/79/08/569457908.db2.gz JWVOETDLECEOJQ-UHFFFAOYSA-N 0 0 436.865 5.035 50 0 IKAARN Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1-c1nc(-c2cccs2)no1 ZINC000031814540 569457911 /nfs/dbraw/zinc/45/79/11/569457911.db2.gz USRCMAGGHZTKQS-UHFFFAOYSA-N 0 0 435.490 5.137 50 0 IKAARN Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nc(-c2ccccc2)no1 ZINC000031813778 569457928 /nfs/dbraw/zinc/45/79/28/569457928.db2.gz LWYAONAQCYVRNR-UHFFFAOYSA-N 0 0 431.304 5.728 50 0 IKAARN Cc1nc(NC(=O)c2ccc(Br)cc2)sc1-c1nc(-c2cccs2)no1 ZINC000031817122 569457964 /nfs/dbraw/zinc/45/79/64/569457964.db2.gz VXWMUNMKMGNJRJ-UHFFFAOYSA-N 0 0 447.339 5.245 50 0 IKAARN CC(C)Cc1csc2c1c1nc(-c3ccncc3)nn1c(=O)n2Cc1ccc(Cl)cc1 ZINC000031818423 569458065 /nfs/dbraw/zinc/45/80/65/569458065.db2.gz DAOBSPIBFRFOEM-UHFFFAOYSA-N 0 0 449.967 5.068 50 0 IKAARN C/C(=N/NC(=O)c1ccncc1)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004015056 569458124 /nfs/dbraw/zinc/45/81/24/569458124.db2.gz HIMZXVKKQBAUQS-JRNAIJDHSA-N 0 0 435.612 5.127 50 0 IKAARN Fc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1Cl ZINC000004012749 569458139 /nfs/dbraw/zinc/45/81/39/569458139.db2.gz JBCYLPHPRQTOSO-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1Cc1ccccc1 ZINC000004033513 569458296 /nfs/dbraw/zinc/45/82/96/569458296.db2.gz AMCZVKKROKBONS-JOCHJYFZSA-N 0 0 425.532 5.022 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1Cc1ccccc1 ZINC000004033514 569458302 /nfs/dbraw/zinc/45/83/02/569458302.db2.gz AMCZVKKROKBONS-QFIPXVFZSA-N 0 0 425.532 5.022 50 0 IKAARN COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C(C)(C)C)CC2)cc1 ZINC000004043052 569458362 /nfs/dbraw/zinc/45/83/62/569458362.db2.gz MGMUYMDAHCEEQN-UHFFFAOYSA-N 0 0 433.600 5.831 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1sc2nc(C(C)(C)C)cc(-c3ccccc3)c2c1N ZINC000004046141 569458478 /nfs/dbraw/zinc/45/84/78/569458478.db2.gz ZKBJNVHICANCKT-UHFFFAOYSA-N 0 0 429.589 6.712 50 0 IKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000031967768 569458583 /nfs/dbraw/zinc/45/85/83/569458583.db2.gz JROVPGXXTFUEGA-UHFFFAOYSA-N 0 0 438.603 5.920 50 0 IKAARN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C)C(C)C ZINC000004074062 569458646 /nfs/dbraw/zinc/45/86/46/569458646.db2.gz BYLDLYWTMFKRNR-UKBAOTMZSA-N 0 0 430.717 6.997 50 0 biogenic IKAARN CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1ccc(C45CC6CC(CC(C6)C4)C5)cc1)(C2)C3 ZINC000004075803 569458661 /nfs/dbraw/zinc/45/86/61/569458661.db2.gz TUBYNFYSUVGWSO-UHFFFAOYSA-N 0 0 431.664 7.480 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004082373 569458716 /nfs/dbraw/zinc/45/87/16/569458716.db2.gz QAFFJZQOECVHSB-UHFFFAOYSA-N 0 0 447.947 5.713 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000004089851 569458832 /nfs/dbraw/zinc/45/88/32/569458832.db2.gz ZAFOIHOOQDAQKO-UHFFFAOYSA-N 0 0 446.532 5.196 50 0 IKAARN O=C1c2ccccc2C(=O)N1CCCCP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000004105472 569459085 /nfs/dbraw/zinc/45/90/85/569459085.db2.gz YELAXOXOGPOOFH-UHFFFAOYSA-N 0 0 435.416 5.414 50 0 IKAARN COc1ccc(Cl)c(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 ZINC000032071999 569459244 /nfs/dbraw/zinc/45/92/44/569459244.db2.gz XSRUKBQQYMFTGN-QGZVFWFLSA-N 0 0 445.306 5.345 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000032072541 569459270 /nfs/dbraw/zinc/45/92/70/569459270.db2.gz YBZVMXVYYSMZIS-MRXNPFEDSA-N 0 0 448.832 5.702 50 0 IKAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032088801 569459503 /nfs/dbraw/zinc/45/95/03/569459503.db2.gz SSVKZACZPFRISY-UHFFFAOYSA-N 0 0 444.962 5.467 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1sc2ccccc2c1Cl ZINC000032089525 569459566 /nfs/dbraw/zinc/45/95/66/569459566.db2.gz NLBDCEINMXEWTH-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1Cl ZINC000032092106 569459652 /nfs/dbraw/zinc/45/96/52/569459652.db2.gz PODLDCDZXYDZOU-MRXNPFEDSA-N 0 0 433.270 5.476 50 0 IKAARN Cc1sc2c(c1C)c1nc(Cc3ccccc3)nn1c(=O)n2Cc1ccccc1Cl ZINC000032096324 569459919 /nfs/dbraw/zinc/45/99/19/569459919.db2.gz PLPYEXRZCKWVDW-UHFFFAOYSA-N 0 0 434.952 5.015 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3O)nc2c1 ZINC000004122960 569460002 /nfs/dbraw/zinc/46/00/02/569460002.db2.gz RRSRUXCUTRBYHY-UHFFFAOYSA-N 0 0 431.517 5.252 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000004122963 569460006 /nfs/dbraw/zinc/46/00/06/569460006.db2.gz PWKNPSACUJAQHH-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1C ZINC000004122540 569460031 /nfs/dbraw/zinc/46/00/31/569460031.db2.gz XIFIPUCUWKCWTR-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN COc1ccc(-c2nc(-c3cc4ccc(OCC(=O)C(C)(C)C)cc4oc3=O)cs2)cc1 ZINC000032104814 569460176 /nfs/dbraw/zinc/46/01/76/569460176.db2.gz SZFCGAVHLGNKLY-UHFFFAOYSA-N 0 0 449.528 5.586 50 0 IKAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1Cl ZINC000032102866 569460194 /nfs/dbraw/zinc/46/01/94/569460194.db2.gz IFXKDHLGOOATTI-MRXNPFEDSA-N 0 0 445.306 5.345 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 ZINC000004145693 569460423 /nfs/dbraw/zinc/46/04/23/569460423.db2.gz VIAKONHMEQRWGY-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN CCC[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1C)C(=O)OCC ZINC000004146100 569460487 /nfs/dbraw/zinc/46/04/87/569460487.db2.gz XNCMWWMYFSKKIH-IBGZPJMESA-N 0 0 429.973 5.720 50 0 IKAARN COc1ccc(OC)c(-c2nc3ccc(Br)cn3c2NC2CCCCC2)c1 ZINC000004155303 569460537 /nfs/dbraw/zinc/46/05/37/569460537.db2.gz STFKWXMSMCYBEC-UHFFFAOYSA-N 0 0 430.346 5.526 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1 ZINC000004150509 569460572 /nfs/dbraw/zinc/46/05/72/569460572.db2.gz IKFFSIMTUJNABL-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN COc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1OC ZINC000004155301 569460588 /nfs/dbraw/zinc/46/05/88/569460588.db2.gz KNVPQEQMYNQSPZ-UHFFFAOYSA-N 0 0 430.346 5.526 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 ZINC000004177327 569460677 /nfs/dbraw/zinc/46/06/77/569460677.db2.gz CLQSTNBXINTVCK-OQGGWEOTSA-N 0 0 428.642 5.543 50 0 IKAARN Cc1ccccc1-c1nnc(SCc2ccccc2C(F)(F)F)n1-c1ccccc1 ZINC000004184146 569460722 /nfs/dbraw/zinc/46/07/22/569460722.db2.gz XPRVNPTXXUYBTC-UHFFFAOYSA-N 0 0 425.479 6.554 50 0 IKAARN COc1ccc(-n2c(SCc3ccccc3)nnc2-c2cc(OC)cc(OC)c2)cc1 ZINC000004184100 569460723 /nfs/dbraw/zinc/46/07/23/569460723.db2.gz IDQBONFZYWYWBN-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)o1 ZINC000004186102 569460775 /nfs/dbraw/zinc/46/07/75/569460775.db2.gz RDOGLROGZWFFKQ-UHFFFAOYSA-N 0 0 449.410 5.218 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(F)c(F)c3)nnc2-c2ccccc2Cl)cc1 ZINC000004187514 569460776 /nfs/dbraw/zinc/46/07/76/569460776.db2.gz BZJNMAUDLWMJTP-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN COc1ccccc1-n1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl ZINC000004187504 569460783 /nfs/dbraw/zinc/46/07/83/569460783.db2.gz NGKZWXZYHKWWDF-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000004186205 569460785 /nfs/dbraw/zinc/46/07/85/569460785.db2.gz GLNSWGVLFDHVMZ-UHFFFAOYSA-N 0 0 430.316 5.809 50 0 IKAARN CCC[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1OC)C(=O)OCC ZINC000004186499 569460823 /nfs/dbraw/zinc/46/08/23/569460823.db2.gz SHTIAQCFJWETBP-LJQANCHMSA-N 0 0 445.972 5.420 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccc(C)cc2)c1 ZINC000004211358 569460967 /nfs/dbraw/zinc/46/09/67/569460967.db2.gz WPOXHRLVBDITGF-UHFFFAOYSA-N 0 0 435.524 5.691 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccc(F)cc2)cc1 ZINC000004209096 569460980 /nfs/dbraw/zinc/46/09/80/569460980.db2.gz DKNRLWGYYVEWJA-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2-c2ccccc2F)cc1 ZINC000004211393 569460981 /nfs/dbraw/zinc/46/09/81/569460981.db2.gz JEKSUBRKGSDNMX-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(C)cc2)c1 ZINC000004211971 569461035 /nfs/dbraw/zinc/46/10/35/569461035.db2.gz GTRJCMIZPZEWBU-UHFFFAOYSA-N 0 0 433.508 5.461 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nnc1-c1ccc(F)cc1 ZINC000004212089 569461045 /nfs/dbraw/zinc/46/10/45/569461045.db2.gz PAPJOXWUEJPWRY-UHFFFAOYSA-N 0 0 433.508 5.217 50 0 IKAARN CCCCc1ccc(NCN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000059377403 569461130 /nfs/dbraw/zinc/46/11/30/569461130.db2.gz KLTBXUZQWPIAFO-UNOMPAQXSA-N 0 0 435.376 6.442 50 0 IKAARN CCN(CC)C(=O)N1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)CC1 ZINC000004254785 569461437 /nfs/dbraw/zinc/46/14/37/569461437.db2.gz UOROAZQAXXIJEN-UHFFFAOYSA-N 0 0 437.975 5.216 50 0 IKAARN CCCCOc1ccc(NC(=O)CSc2nc3ccc(NC(C)=O)cc3s2)cc1 ZINC000059462491 569461499 /nfs/dbraw/zinc/46/14/99/569461499.db2.gz WIJLSVGATSGTDU-UHFFFAOYSA-N 0 0 429.567 5.164 50 0 IKAARN COc1cc2cc(C(=O)Nc3ccc(C)c(C)c3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000004263329 569461566 /nfs/dbraw/zinc/46/15/66/569461566.db2.gz HPCFABQMFORSFK-UHFFFAOYSA-N 0 0 425.528 6.702 50 0 IKAARN CC(=O)N1CCc2cc(NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)ccc21 ZINC000032410788 569461608 /nfs/dbraw/zinc/46/16/08/569461608.db2.gz NBDCHFFJQOKMKQ-UHFFFAOYSA-N 0 0 430.291 5.118 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)C1c2ccccc2-c2ccccc21 ZINC000059476768 569461610 /nfs/dbraw/zinc/46/16/10/569461610.db2.gz YUGZMEFITOPEMS-UHFFFAOYSA-N 0 0 434.520 6.420 50 0 IKAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)c2cccc(Br)c2)cc1OCC ZINC000066407669 569462125 /nfs/dbraw/zinc/46/21/25/569462125.db2.gz OEJZZMGEAVZSKV-UHFFFAOYSA-N 0 0 444.329 5.197 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2cccnc2)cc1 ZINC000066400604 569462139 /nfs/dbraw/zinc/46/21/39/569462139.db2.gz WDMZHSDICTXXCQ-UHFFFAOYSA-N 0 0 448.910 5.633 50 0 IKAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)c2ccc(Br)cc2)cc1OCC ZINC000066407673 569462149 /nfs/dbraw/zinc/46/21/49/569462149.db2.gz YJTFAACRNRLDOH-UHFFFAOYSA-N 0 0 444.329 5.197 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008231992 569462468 /nfs/dbraw/zinc/46/24/68/569462468.db2.gz GANQUGODZYJLAQ-RUZDIDTESA-N 0 0 427.548 5.031 50 0 IKAARN CCc1cc(CC)c(-c2cc(-c3ccccc3)on2)c(CC)c1-c1cc(-c2ccccc2)on1 ZINC000008386485 569462700 /nfs/dbraw/zinc/46/27/00/569462700.db2.gz CLAICWJWEDBNCA-UHFFFAOYSA-N 0 0 448.566 8.018 50 0 IKAARN Brc1ccccc1Cn1nnc2c1c(-c1ccccc1)nnc2-c1ccccc1 ZINC000008387112 569462759 /nfs/dbraw/zinc/46/27/59/569462759.db2.gz WJBOYQQFDFCPQZ-UHFFFAOYSA-N 0 0 442.320 5.366 50 0 IKAARN COc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1OC ZINC000038486828 569462778 /nfs/dbraw/zinc/46/27/78/569462778.db2.gz DAQRRMIZPNSJAY-UHFFFAOYSA-N 0 0 432.545 5.461 50 0 IKAARN Cc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1Cl ZINC000038486701 569462813 /nfs/dbraw/zinc/46/28/13/569462813.db2.gz YBAZVUJTBXNLPV-UHFFFAOYSA-N 0 0 446.761 5.364 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 ZINC000038487352 569462890 /nfs/dbraw/zinc/46/28/90/569462890.db2.gz PRHYMJRAJBFOBP-UHFFFAOYSA-N 0 0 436.339 5.613 50 0 IKAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1nc(-c2ccco2)cs1 ZINC000038488072 569462937 /nfs/dbraw/zinc/46/29/37/569462937.db2.gz NGLJTYZTFJDQAT-UHFFFAOYSA-N 0 0 441.559 5.016 50 0 IKAARN Cc1ccc(CSc2nc(CC(=O)Nc3nc(-c4cccnc4)cs3)cs2)cc1 ZINC000038488573 569463104 /nfs/dbraw/zinc/46/31/04/569463104.db2.gz ZMFLDWPPROHNCT-UHFFFAOYSA-N 0 0 438.603 5.444 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)n2)c(O)c1 ZINC000038513251 569463155 /nfs/dbraw/zinc/46/31/55/569463155.db2.gz ZEWXYVYQILWDOV-HSZRJFAPSA-N 0 0 427.529 5.880 50 0 IKAARN O=C(c1cccs1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000038534022 569463178 /nfs/dbraw/zinc/46/31/78/569463178.db2.gz MCPUQCACHBZAIK-UHFFFAOYSA-N 0 0 431.561 5.229 50 0 IKAARN O=C(c1cc2ccccc2[nH]1)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038534236 569463214 /nfs/dbraw/zinc/46/32/14/569463214.db2.gz WEUZKZUBPBDFLE-UHFFFAOYSA-N 0 0 426.442 5.089 50 0 IKAARN CCCCC(=O)N1c2ccc(NC(=O)C(F)(F)F)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000008398684 569463266 /nfs/dbraw/zinc/46/32/66/569463266.db2.gz BCMRIVBTIBTSFL-DEOSSOPVSA-N 0 0 446.513 6.199 50 0 IKAARN Fc1ccccc1C1=NN(c2ccccc2Br)[C@H](c2ccc(Cl)cc2)C1 ZINC000008398017 569463267 /nfs/dbraw/zinc/46/32/67/569463267.db2.gz MYXANITVNABXTP-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN CCCCC(=O)N1c2ccc(NC(=O)C(F)(F)F)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000008398683 569463273 /nfs/dbraw/zinc/46/32/73/569463273.db2.gz BCMRIVBTIBTSFL-XMMPIXPASA-N 0 0 446.513 6.199 50 0 IKAARN CCc1cc([C@H](c2ccc(Cl)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545922 569463305 /nfs/dbraw/zinc/46/33/05/569463305.db2.gz QXSAZXPMSRJTAR-NRFANRHFSA-N 0 0 428.985 6.385 50 0 IKAARN CCc1cc([C@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545924 569463317 /nfs/dbraw/zinc/46/33/17/569463317.db2.gz HQUVOQKUUHKZPC-NRFANRHFSA-N 0 0 428.985 6.385 50 0 IKAARN O=C(c1ccsc1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000038542701 569463320 /nfs/dbraw/zinc/46/33/20/569463320.db2.gz RHDCRRTZOXITOT-UHFFFAOYSA-N 0 0 431.561 5.229 50 0 IKAARN COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1OC ZINC000038545905 569463357 /nfs/dbraw/zinc/46/33/57/569463357.db2.gz ALAAMVDEQPAGEA-OAQYLSRUSA-N 0 0 440.565 5.494 50 0 IKAARN CC1=C[C@@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C ZINC000038545665 569463362 /nfs/dbraw/zinc/46/33/62/569463362.db2.gz OLBNGLBVDWDALE-GVNBAPTHSA-N 0 0 441.568 5.380 50 0 biogenic IKAARN CCc1cc([C@H](c2ccccc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546043 569463380 /nfs/dbraw/zinc/46/33/80/569463380.db2.gz SMXPEFCJCWKCGV-FQEVSTJZSA-N 0 0 430.957 5.231 50 0 IKAARN CCc1cc([C@@H](c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546040 569463381 /nfs/dbraw/zinc/46/33/81/569463381.db2.gz QRMLQJSCFHGUGJ-HXUWFJFHSA-N 0 0 430.957 5.231 50 0 IKAARN CCc1cc([C@H](c2ccc(SC)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546055 569463413 /nfs/dbraw/zinc/46/34/13/569463413.db2.gz QRYXYXXOERGDFC-NRFANRHFSA-N 0 0 442.606 5.299 50 0 IKAARN CSc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000038546151 569463422 /nfs/dbraw/zinc/46/34/22/569463422.db2.gz HUAHBMHMTUYYPG-HXUWFJFHSA-N 0 0 428.579 5.045 50 0 IKAARN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1cccs1)N1CCOCC1 ZINC000038546072 569463438 /nfs/dbraw/zinc/46/34/38/569463438.db2.gz OANBLECMUODEGD-OAQYLSRUSA-N 0 0 442.606 5.109 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](c1ccccc1F)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546194 569463462 /nfs/dbraw/zinc/46/34/62/569463462.db2.gz WEAARWGDANQNBQ-JOCHJYFZSA-N 0 0 440.540 5.033 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](c1cccc(F)c1)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546191 569463503 /nfs/dbraw/zinc/46/35/03/569463503.db2.gz KOTPPPXUVPLNIS-QFIPXVFZSA-N 0 0 440.540 5.033 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(C)cc2)N2CCN(C)CC2)c1C ZINC000038546749 569463643 /nfs/dbraw/zinc/46/36/43/569463643.db2.gz MPXDDFUCOKNUOZ-QFIPXVFZSA-N 0 0 439.650 5.324 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)N2CCN(C)CC2)c1C ZINC000038546763 569463646 /nfs/dbraw/zinc/46/36/46/569463646.db2.gz OYFCXMFVTHIJBR-LJQANCHMSA-N 0 0 431.652 5.077 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)N2CCN(C)CC2)c1C ZINC000038546722 569463724 /nfs/dbraw/zinc/46/37/24/569463724.db2.gz DGHJGFJQLIJLNI-OAQYLSRUSA-N 0 0 425.623 5.016 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)n2)c2ccc(F)cc2)c1C ZINC000038547040 569463761 /nfs/dbraw/zinc/46/37/61/569463761.db2.gz MLFBBFWUPNVHOI-DEOSSOPVSA-N 0 0 445.563 6.661 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1cccs1)CCCC2)c1ccccc1 ZINC000038547493 569463779 /nfs/dbraw/zinc/46/37/79/569463779.db2.gz NNGQJWXLLPCCHL-HSZRJFAPSA-N 0 0 445.613 6.537 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038547087 569463787 /nfs/dbraw/zinc/46/37/87/569463787.db2.gz TYLTVBGCDMVHQK-JOCHJYFZSA-N 0 0 433.602 6.529 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000038547054 569463789 /nfs/dbraw/zinc/46/37/89/569463789.db2.gz UYRZXIKOUXPNGZ-QHCPKHFHSA-N 0 0 428.561 5.863 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)ccn2)c2cccs2)c1C ZINC000038547538 569463791 /nfs/dbraw/zinc/46/37/91/569463791.db2.gz HZUMYJQCVUWHLG-JOCHJYFZSA-N 0 0 433.602 6.584 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1cccs1)CCCC2)c1ccccc1 ZINC000038547495 569463825 /nfs/dbraw/zinc/46/38/25/569463825.db2.gz NNGQJWXLLPCCHL-QHCPKHFHSA-N 0 0 445.613 6.537 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547844 569463861 /nfs/dbraw/zinc/46/38/61/569463861.db2.gz WHEDCWMQZGLCLC-HSZRJFAPSA-N 0 0 431.561 6.369 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)ccn2)c2ccccc2F)c1C ZINC000038547592 569463879 /nfs/dbraw/zinc/46/38/79/569463879.db2.gz WCBUPSRQNPHYEZ-QFIPXVFZSA-N 0 0 435.524 6.254 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547846 569463913 /nfs/dbraw/zinc/46/39/13/569463913.db2.gz WHEDCWMQZGLCLC-QHCPKHFHSA-N 0 0 431.561 6.369 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccccc2)c1C ZINC000038548114 569463942 /nfs/dbraw/zinc/46/39/42/569463942.db2.gz HJZQDIXIHFIZAZ-NRFANRHFSA-N 0 0 432.549 5.819 50 0 IKAARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(Br)cc3)s2)cc1 ZINC000038548599 569463943 /nfs/dbraw/zinc/46/39/43/569463943.db2.gz BRIUFTNQCMLHBX-UHFFFAOYSA-N 0 0 431.355 5.608 50 0 IKAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000038548500 569463949 /nfs/dbraw/zinc/46/39/49/569463949.db2.gz RRSPKFLFTFPPBY-UHFFFAOYSA-N 0 0 430.957 6.032 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2nc(C)cc(C)n2)c2cccs2)c1C ZINC000038548174 569463956 /nfs/dbraw/zinc/46/39/56/569463956.db2.gz WHVVIQCRSBXKDP-IBGZPJMESA-N 0 0 438.578 5.880 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccc(C(C)C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547888 569463968 /nfs/dbraw/zinc/46/39/68/569463968.db2.gz NIPLJJWXVVKQCS-XMMPIXPASA-N 0 0 445.588 6.876 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038548001 569463970 /nfs/dbraw/zinc/46/39/70/569463970.db2.gz GBEPHWVCFXTKTD-NRFANRHFSA-N 0 0 432.549 5.819 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038548003 569463971 /nfs/dbraw/zinc/46/39/71/569463971.db2.gz GBEPHWVCFXTKTD-OAQYLSRUSA-N 0 0 432.549 5.819 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccncc2)c1C ZINC000038548135 569463987 /nfs/dbraw/zinc/46/39/87/569463987.db2.gz OCWLPMWPQAWGNS-FQEVSTJZSA-N 0 0 433.537 5.214 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccsc1)CCCC2)c1ccco1 ZINC000038550678 569464001 /nfs/dbraw/zinc/46/40/01/569464001.db2.gz IFSDXZFUMQSAMP-OAQYLSRUSA-N 0 0 435.574 6.130 50 0 IKAARN COc1ccc(C(=O)C[C@H](Nc2cccc(Br)c2)c2ccc(OC)cc2)cc1 ZINC000008427042 569464117 /nfs/dbraw/zinc/46/41/17/569464117.db2.gz SMRMNPPTGIWZNB-QFIPXVFZSA-N 0 0 440.337 5.893 50 0 IKAARN COc1ccc(-n2c(N)c(C(=O)Nc3c(Cl)cccc3Cl)sc2=S)cc1 ZINC000008846030 569479017 /nfs/dbraw/zinc/47/90/17/569479017.db2.gz NBMSUGHGYPNBRI-UHFFFAOYSA-N 0 0 426.350 5.418 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2NN=Cc2ccc(Cl)cc2)CCCC4)cc1 ZINC000008432323 569464247 /nfs/dbraw/zinc/46/42/47/569464247.db2.gz XDMNSWDLCWHEDU-UHFFFAOYSA-N 0 0 448.979 5.734 50 0 IKAARN O=C(Nc1nnc(CSCc2ccc(Cl)cc2Cl)s1)Nc1ccccc1 ZINC000008856588 569479771 /nfs/dbraw/zinc/47/97/71/569479771.db2.gz SJHMUEMCTQDRQM-UHFFFAOYSA-N 0 0 425.366 5.922 50 0 IKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CN1CCCCC1 ZINC000008433003 569464276 /nfs/dbraw/zinc/46/42/76/569464276.db2.gz KJBDBBKLFJGEOX-UHFFFAOYSA-N 0 0 448.588 5.683 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)N3c4ccccc4CCc4ccccc43)nc2c1 ZINC000067192350 569464372 /nfs/dbraw/zinc/46/43/72/569464372.db2.gz BZLHTGYPCJZFDY-UHFFFAOYSA-N 0 0 429.545 5.517 50 0 IKAARN O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc2ccccc2c1 ZINC000008441593 569464505 /nfs/dbraw/zinc/46/45/05/569464505.db2.gz QLFDDEOKKPFZMU-UHFFFAOYSA-N 0 0 442.565 6.431 50 0 IKAARN CCOc1ccc(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1 ZINC000067206928 569464651 /nfs/dbraw/zinc/46/46/51/569464651.db2.gz WZTRFZIMKWDRKI-UHFFFAOYSA-N 0 0 429.339 5.280 50 0 IKAARN O=C(c1cccc(COc2ccc3ccccc3c2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000008444195 569464785 /nfs/dbraw/zinc/46/47/85/569464785.db2.gz AXOASOZJZZVXTF-UHFFFAOYSA-N 0 0 435.567 6.514 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O ZINC000067209117 569464815 /nfs/dbraw/zinc/46/48/15/569464815.db2.gz ZFOQBKISJYHRBC-UHFFFAOYSA-N 0 0 449.601 5.610 50 0 IKAARN COc1ccc(-c2c3c(nc4sc5c(ncn(-c6ccc(C)cc6)c5=O)c42)CCC3)cc1 ZINC000008450770 569464856 /nfs/dbraw/zinc/46/48/56/569464856.db2.gz IUBCAXCKJHTKPS-UHFFFAOYSA-N 0 0 439.540 5.468 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 ZINC000008451057 569465046 /nfs/dbraw/zinc/46/50/46/569465046.db2.gz IGTYJHNHTZSASS-HJUUAYDMSA-N 0 0 437.653 5.728 50 0 IKAARN Cc1cc(C(F)F)nc2sc3c(ncn(-c4cc(C(F)(F)F)ccc4Cl)c3=O)c21 ZINC000008450899 569465053 /nfs/dbraw/zinc/46/50/53/569465053.db2.gz ZPJGJFHCJWXWHC-UHFFFAOYSA-N 0 0 445.800 5.914 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 ZINC000008451060 569465057 /nfs/dbraw/zinc/46/50/57/569465057.db2.gz IGTYJHNHTZSASS-AUPVXBESSA-N 0 0 437.653 5.728 50 0 IKAARN COc1ccc([C@H]2c3cccc(Cl)c3[C@@H](c3cccs3)c3cccc(Cl)c32)cc1 ZINC000008453477 569465090 /nfs/dbraw/zinc/46/50/90/569465090.db2.gz JIXMFTAUBAUKBR-WIOPSUGQSA-N 0 0 437.391 7.737 50 0 IKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008454509 569465179 /nfs/dbraw/zinc/46/51/79/569465179.db2.gz VVQYBLNKOCTFEQ-UHFFFAOYSA-N 0 0 432.395 6.010 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 ZINC000067236887 569465425 /nfs/dbraw/zinc/46/54/25/569465425.db2.gz AVJZXHFUFQYADZ-UHFFFAOYSA-N 0 0 446.576 5.096 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 ZINC000067238222 569465561 /nfs/dbraw/zinc/46/55/61/569465561.db2.gz JUXTXZCPZGYSGC-UHFFFAOYSA-N 0 0 440.613 5.153 50 0 IKAARN C[C@@H]1C[C@H](C)CN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)C1 ZINC000067240741 569465700 /nfs/dbraw/zinc/46/57/00/569465700.db2.gz JDSLGNHGUMMOML-GASCZTMLSA-N 0 0 425.458 5.446 50 0 IKAARN COc1ccc(CNC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1OC ZINC000038653845 569465806 /nfs/dbraw/zinc/46/58/06/569465806.db2.gz YLFSJOWWHDTMPH-UHFFFAOYSA-N 0 0 436.508 5.292 50 0 IKAARN COc1ccc(CCNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1OC ZINC000038653833 569465808 /nfs/dbraw/zinc/46/58/08/569465808.db2.gz WBGUNVIYBCYKBA-UHFFFAOYSA-N 0 0 432.545 5.196 50 0 biogenic IKAARN Cc1ccc(-n2cc(-c3nc(-c4ccc(Cl)c(F)c4)no3)c3ccccc3c2=O)cc1C ZINC000067245318 569465873 /nfs/dbraw/zinc/46/58/73/569465873.db2.gz QFGBGDZGZBTCGP-UHFFFAOYSA-N 0 0 445.881 6.117 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1-c1ccc(Cl)cc1 ZINC000067245390 569465876 /nfs/dbraw/zinc/46/58/76/569465876.db2.gz UGAUFGORKKPRRG-UHFFFAOYSA-N 0 0 443.846 5.090 50 0 IKAARN CCOc1ccc(-c2noc(-c3cn(-c4ccc(CC)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245326 569465879 /nfs/dbraw/zinc/46/58/79/569465879.db2.gz GSOLHZVTHKLEKA-UHFFFAOYSA-N 0 0 437.499 5.669 50 0 IKAARN Cc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1C ZINC000067245411 569465891 /nfs/dbraw/zinc/46/58/91/569465891.db2.gz SDGOSJQIHHMRMI-UHFFFAOYSA-N 0 0 427.891 5.978 50 0 IKAARN CSc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245311 569465910 /nfs/dbraw/zinc/46/59/10/569465910.db2.gz VTNLENVYKZNMPR-UHFFFAOYSA-N 0 0 439.540 6.046 50 0 IKAARN CC(C)Oc1ccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245427 569465913 /nfs/dbraw/zinc/46/59/13/569465913.db2.gz OXGLDOUMZCRNCC-UHFFFAOYSA-N 0 0 441.462 5.634 50 0 IKAARN CCOc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245391 569465919 /nfs/dbraw/zinc/46/59/19/569465919.db2.gz CLHIMCGGCAJCML-UHFFFAOYSA-N 0 0 443.890 5.760 50 0 IKAARN Cc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1C ZINC000067245458 569465920 /nfs/dbraw/zinc/46/59/20/569465920.db2.gz DEXHOZQEKBPAEN-UHFFFAOYSA-N 0 0 427.891 5.978 50 0 IKAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000067257735 569466105 /nfs/dbraw/zinc/46/61/05/569466105.db2.gz NRNPKIPAQUXFLO-UHFFFAOYSA-N 0 0 433.455 5.210 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2Cl)c(OC)c1 ZINC000067258909 569466179 /nfs/dbraw/zinc/46/61/79/569466179.db2.gz MKNLGCTUWLOLHF-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1CCc1ccccc1 ZINC000067259318 569466200 /nfs/dbraw/zinc/46/62/00/569466200.db2.gz CNTCCXHYXNXCIA-UHFFFAOYSA-N 0 0 440.490 5.950 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1-c1ccc(F)cc1 ZINC000067259217 569466209 /nfs/dbraw/zinc/46/62/09/569466209.db2.gz VWELYBCVEJBPEB-UHFFFAOYSA-N 0 0 430.426 5.836 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000067258869 569466222 /nfs/dbraw/zinc/46/62/22/569466222.db2.gz IOXFXLGBNHXALH-UHFFFAOYSA-N 0 0 426.900 5.479 50 0 IKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(F)cc1Cl ZINC000067259554 569466235 /nfs/dbraw/zinc/46/62/35/569466235.db2.gz LQLASXNQKKBMMG-UHFFFAOYSA-N 0 0 426.900 5.479 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccc(Cl)cc1 ZINC000067259591 569466245 /nfs/dbraw/zinc/46/62/45/569466245.db2.gz WUTHWKRPWPKDIQ-UHFFFAOYSA-N 0 0 445.346 6.183 50 0 IKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccccc1C(F)(F)F ZINC000067259558 569466255 /nfs/dbraw/zinc/46/62/55/569466255.db2.gz XSMWFEWPFJDBNW-UHFFFAOYSA-N 0 0 442.462 5.705 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccc(Cl)cc1 ZINC000067259600 569466261 /nfs/dbraw/zinc/46/62/61/569466261.db2.gz MIBSYHBNBYLNRP-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1c(F)cccc1Cl ZINC000067259553 569466266 /nfs/dbraw/zinc/46/62/66/569466266.db2.gz QVERLDVJBYTRLX-UHFFFAOYSA-N 0 0 426.900 5.479 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3cc(C)ccc3C)c(=O)c12 ZINC000067260275 569466322 /nfs/dbraw/zinc/46/63/22/569466322.db2.gz SNXKIAMWVZIHTE-UHFFFAOYSA-N 0 0 442.544 5.457 50 0 IKAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(Cc3ccccc3C)c(=O)c12 ZINC000067260322 569466346 /nfs/dbraw/zinc/46/63/46/569466346.db2.gz OAYFPJACAHZWNM-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(Cc3ccccc3C)c(=O)c12 ZINC000067260419 569466375 /nfs/dbraw/zinc/46/63/75/569466375.db2.gz CJHOVVPDSCVMIJ-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(C)ccc2C)cc1OC ZINC000067260467 569466377 /nfs/dbraw/zinc/46/63/77/569466377.db2.gz YPWSTLFNOKLINC-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN COc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1F ZINC000067260652 569466412 /nfs/dbraw/zinc/46/64/12/569466412.db2.gz XQYQOMVNIYGDTL-UHFFFAOYSA-N 0 0 433.512 5.101 50 0 IKAARN COc1ccc([C@@H](C)Nc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 ZINC000067261528 569466498 /nfs/dbraw/zinc/46/64/98/569466498.db2.gz NZLYRKNJRYVRSF-OAHLLOKOSA-N 0 0 429.911 5.780 50 0 IKAARN Fc1ccc(-c2nnn3c2nc(NCc2cccc(Br)c2)c2ccccc23)cc1 ZINC000067261399 569466501 /nfs/dbraw/zinc/46/65/01/569466501.db2.gz DPXXFYPFEOEPBE-UHFFFAOYSA-N 0 0 448.299 5.458 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000038678488 569466649 /nfs/dbraw/zinc/46/66/49/569466649.db2.gz WMJQFFAAEYSVMI-UHFFFAOYSA-N 0 0 442.968 5.057 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2C1=O ZINC000038677956 569466652 /nfs/dbraw/zinc/46/66/52/569466652.db2.gz IUOASJSKTSXUCX-UHFFFAOYSA-N 0 0 425.444 5.366 50 0 IKAARN COc1ccc2c(c1)CCc1c(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)nc1-2 ZINC000008496074 569466678 /nfs/dbraw/zinc/46/66/78/569466678.db2.gz YATXKXFJEHQJHO-UHFFFAOYSA-N 0 0 433.338 6.892 50 0 IKAARN O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000038694275 569466745 /nfs/dbraw/zinc/46/67/45/569466745.db2.gz GWEKWJKVOQYTGG-UHFFFAOYSA-N 0 0 426.538 5.211 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)NCc4ccc(Cl)cc4)nccn3n2)cc1C ZINC000067289918 569467509 /nfs/dbraw/zinc/46/75/09/569467509.db2.gz MUYPZODGUYDCRG-UHFFFAOYSA-N 0 0 436.968 5.075 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1C ZINC000067289882 569467514 /nfs/dbraw/zinc/46/75/14/569467514.db2.gz JBQQAVDZYYYIBP-UHFFFAOYSA-N 0 0 436.968 5.706 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 ZINC000067289863 569467528 /nfs/dbraw/zinc/46/75/28/569467528.db2.gz LCFKGRMOEQNLMV-UHFFFAOYSA-N 0 0 430.577 5.615 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1 ZINC000067290369 569467578 /nfs/dbraw/zinc/46/75/78/569467578.db2.gz PEEBCEAVTOLPPF-UHFFFAOYSA-N 0 0 438.940 5.179 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 ZINC000067290349 569467591 /nfs/dbraw/zinc/46/75/91/569467591.db2.gz IJQKJEOGERCYIM-UHFFFAOYSA-N 0 0 446.576 5.649 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067292974 569467716 /nfs/dbraw/zinc/46/77/16/569467716.db2.gz IJUOCEFZLZYOPO-IAIVQWBNSA-N 0 0 435.282 5.020 50 0 IKAARN CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294495 569467893 /nfs/dbraw/zinc/46/78/93/569467893.db2.gz NCYJEKGCFBDTKL-COOPMVRXSA-N 0 0 446.890 5.748 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c(C)c1 ZINC000067295008 569467901 /nfs/dbraw/zinc/46/79/01/569467901.db2.gz UQUUYWNUGSXJIQ-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1nccs1 ZINC000067294911 569467916 /nfs/dbraw/zinc/46/79/16/569467916.db2.gz QUBIKRIAWOYATO-GFMRDNFCSA-N 0 0 425.897 5.426 50 0 IKAARN Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1C ZINC000067295006 569467917 /nfs/dbraw/zinc/46/79/17/569467917.db2.gz DUFCHQOSQLJJBM-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1Cl ZINC000067294965 569467921 /nfs/dbraw/zinc/46/79/21/569467921.db2.gz UVIOZDYXBLICFB-MOHJPFBDSA-N 0 0 434.279 5.820 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067294558 569467927 /nfs/dbraw/zinc/46/79/27/569467927.db2.gz ZPKPPQLJESOBLA-IADYIPOJSA-N 0 0 442.824 6.590 50 0 IKAARN CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1cccc(C)n1 ZINC000067294877 569467938 /nfs/dbraw/zinc/46/79/38/569467938.db2.gz UVHUWDBHBOOYFL-PNHLSOANSA-N 0 0 433.895 5.673 50 0 IKAARN CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067295215 569467945 /nfs/dbraw/zinc/46/79/45/569467945.db2.gz NKNBDYVPRQBYTJ-PNHLSOANSA-N 0 0 433.895 5.673 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(SC)c3)oc21 ZINC000067295661 569467947 /nfs/dbraw/zinc/46/79/47/569467947.db2.gz IAWPNOYCUKHACQ-LCUIJRPUSA-N 0 0 431.517 5.351 50 0 IKAARN CCOc1ccccc1/N=c1\oc2c(cccc2OC)cc1C(=O)Nc1cccc(C)n1 ZINC000067295652 569467979 /nfs/dbraw/zinc/46/79/79/569467979.db2.gz OQRGAFYNYDDPLI-RFBIWTDZSA-N 0 0 429.476 5.028 50 0 IKAARN Cc1ccc(C)c(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 ZINC000067295011 569467989 /nfs/dbraw/zinc/46/79/89/569467989.db2.gz HHFJOIWTOHGZDY-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067296349 569467995 /nfs/dbraw/zinc/46/79/95/569467995.db2.gz SSKCKCZQKJGRDT-MEFGMAGPSA-N 0 0 425.366 5.211 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000067297252 569468000 /nfs/dbraw/zinc/46/80/00/569468000.db2.gz MXHRUWBULNQDDL-OLFWJLLRSA-N 0 0 436.433 6.553 50 0 IKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067296122 569468009 /nfs/dbraw/zinc/46/80/09/569468009.db2.gz VDCWYVNVBQOKHT-BWAHOGKJSA-N 0 0 431.395 5.273 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(Cl)c3C)oc21 ZINC000067295950 569468011 /nfs/dbraw/zinc/46/80/11/569468011.db2.gz FFELAKUTWUFGRA-GFMRDNFCSA-N 0 0 425.897 5.344 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)cc3C)oc21 ZINC000067295953 569468024 /nfs/dbraw/zinc/46/80/24/569468024.db2.gz UQJDHCPJKQMXPI-GFMRDNFCSA-N 0 0 425.897 5.344 50 0 IKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(F)(F)F)cc2)n1 ZINC000067297970 569468090 /nfs/dbraw/zinc/46/80/90/569468090.db2.gz DQDZHXXWWKBUDM-SLMZUGIISA-N 0 0 439.393 5.345 50 0 IKAARN Cn1c(-c2nnc(-c3ccc(Cl)cc3)o2)ccc1-c1cc(C(F)(F)F)ccc1Cl ZINC000067299935 569468137 /nfs/dbraw/zinc/46/81/37/569468137.db2.gz OSTRYBWEJYDNDX-UHFFFAOYSA-N 0 0 438.236 6.735 50 0 IKAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c(-c2ccccc2)c1CC(=O)c1ccccc1 ZINC000067340088 569468981 /nfs/dbraw/zinc/46/89/81/569468981.db2.gz HJINVOXZIQDQGF-UHFFFAOYSA-N 0 0 437.539 6.114 50 0 IKAARN CC(C)OC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 ZINC000067339375 569468985 /nfs/dbraw/zinc/46/89/85/569468985.db2.gz LESKCVGVLIUGPJ-VQHVLOKHSA-N 0 0 428.282 5.412 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 ZINC000008589861 569469199 /nfs/dbraw/zinc/46/91/99/569469199.db2.gz YBTCQFISFDEIHE-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1ccc(F)cc1Cl ZINC000008591908 569469299 /nfs/dbraw/zinc/46/92/99/569469299.db2.gz BYKPTSHVLMNWGL-UHFFFAOYSA-N 0 0 442.943 5.288 50 0 IKAARN CCCCN(CC)c1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000008625584 569469501 /nfs/dbraw/zinc/46/95/01/569469501.db2.gz XTHDNGVDWUDXEL-UHFFFAOYSA-N 0 0 428.671 6.275 50 0 IKAARN CC(C)(C)C(=O)N1CCc2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc21 ZINC000038943723 569469617 /nfs/dbraw/zinc/46/96/17/569469617.db2.gz AIFDWFKPPPRAEJ-UHFFFAOYSA-N 0 0 426.516 5.498 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 ZINC000008656867 569469657 /nfs/dbraw/zinc/46/96/57/569469657.db2.gz SJWRWGBEMKQUEW-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc(OC)c([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000008694895 569470152 /nfs/dbraw/zinc/47/01/52/569470152.db2.gz MAXBKRXEBSSSCY-XMMPIXPASA-N 0 0 445.906 5.497 50 0 IKAARN Cc1nc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C(N)=O)c(C)c1C ZINC000008704923 569470364 /nfs/dbraw/zinc/47/03/64/569470364.db2.gz AXAGZAAJODMGCV-HSZRJFAPSA-N 0 0 429.545 5.303 50 0 IKAARN Cc1nc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)[nH]c1Cc1ccccc1 ZINC000008706435 569470469 /nfs/dbraw/zinc/47/04/69/569470469.db2.gz HOFJGBNOXAKTHQ-FQEVSTJZSA-N 0 0 448.617 5.374 50 0 IKAARN COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)cc1 ZINC000008706837 569470555 /nfs/dbraw/zinc/47/05/55/569470555.db2.gz BHJMLRXGZGUPLC-CQSZACIVSA-N 0 0 445.346 6.117 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000008709968 569470883 /nfs/dbraw/zinc/47/08/83/569470883.db2.gz DAKVAMIPCBWUOM-ZDUSSCGKSA-N 0 0 444.354 5.161 50 0 IKAARN CC(C)c1ccc(Nc2nnc(S[C@H](C)c3nnc(-c4cccs4)o3)s2)cc1 ZINC000008710623 569470908 /nfs/dbraw/zinc/47/09/08/569470908.db2.gz JQVXMVRYJRMYAS-GFCCVEGCSA-N 0 0 429.596 6.370 50 0 IKAARN Oc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@](O)(C(F)(F)F)C2)c1 ZINC000008711548 569470973 /nfs/dbraw/zinc/47/09/73/569470973.db2.gz QWWKCFNIWWKIDG-GOSISDBHSA-N 0 0 439.846 5.034 50 0 IKAARN Oc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@](O)(C(F)(F)F)C2)c1 ZINC000008711551 569470986 /nfs/dbraw/zinc/47/09/86/569470986.db2.gz QWWKCFNIWWKIDG-SFHVURJKSA-N 0 0 439.846 5.034 50 0 IKAARN O[C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccccc2)cs1 ZINC000008711376 569471028 /nfs/dbraw/zinc/47/10/28/569471028.db2.gz LQHAPRNSAWPMSM-JOCHJYFZSA-N 0 0 439.462 5.829 50 0 IKAARN COc1cc(Br)cc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@@H]21 ZINC000008717639 569471127 /nfs/dbraw/zinc/47/11/27/569471127.db2.gz SEBAKERYNNEOBM-IBBFCSCYSA-N 0 0 431.330 5.501 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(F)c2)o1 ZINC000008717620 569471144 /nfs/dbraw/zinc/47/11/44/569471144.db2.gz MIHQNVGYNIPBET-WIYYLYMNSA-N 0 0 427.273 5.732 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000008717832 569471197 /nfs/dbraw/zinc/47/11/97/569471197.db2.gz XIIOGCSGRHHHRZ-HNNXBMFYSA-N 0 0 449.551 5.643 50 0 IKAARN O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000008718869 569471299 /nfs/dbraw/zinc/47/12/99/569471299.db2.gz FHLIDALJARBMGH-VWLOTQADSA-N 0 0 438.426 5.279 50 0 IKAARN CC(=O)Nc1cc(C)c(C)cc1-c1csc(NC(=O)Cc2cccc3ccccc32)n1 ZINC000008719608 569471426 /nfs/dbraw/zinc/47/14/26/569471426.db2.gz MIQPNXFFBQCGJY-UHFFFAOYSA-N 0 0 429.545 5.720 50 0 IKAARN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C(F)(F)F)c1 ZINC000008720271 569471616 /nfs/dbraw/zinc/47/16/16/569471616.db2.gz HENCWONAEYMTIM-UHFFFAOYSA-N 0 0 428.476 5.007 50 0 IKAARN Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)cc1)N2 ZINC000008721969 569471734 /nfs/dbraw/zinc/47/17/34/569471734.db2.gz XPVMPESCSYSZRU-SFHVURJKSA-N 0 0 447.343 5.745 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 ZINC000008722387 569471802 /nfs/dbraw/zinc/47/18/02/569471802.db2.gz RQAOAQLTXBGWLD-GIGQVBGESA-N 0 0 433.360 6.294 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1 ZINC000008722434 569471805 /nfs/dbraw/zinc/47/18/05/569471805.db2.gz JTZXKWVNJLGZBB-UHFFFAOYSA-N 0 0 446.550 7.389 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000008722476 569471835 /nfs/dbraw/zinc/47/18/35/569471835.db2.gz FTFLVPUCMORWNX-ZZXKWVIFSA-N 0 0 435.203 6.363 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008722375 569471846 /nfs/dbraw/zinc/47/18/46/569471846.db2.gz GMDGXPSKSJFLLN-NSPYISDASA-N 0 0 443.366 5.750 50 0 IKAARN O=C(Nc1ccccc1SCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008723574 569471888 /nfs/dbraw/zinc/47/18/88/569471888.db2.gz KEZLZZVUJJOSMV-NRFANRHFSA-N 0 0 445.588 5.862 50 0 IKAARN C[C@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(Cl)cc1)N(C)C ZINC000008723976 569471928 /nfs/dbraw/zinc/47/19/28/569471928.db2.gz JSBLFFAIGAQLLE-OAHLLOKOSA-N 0 0 439.972 5.491 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000008723985 569471971 /nfs/dbraw/zinc/47/19/71/569471971.db2.gz ZMOKVSFYFGLLGA-CQSZACIVSA-N 0 0 448.573 5.436 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 ZINC000008724678 569472016 /nfs/dbraw/zinc/47/20/16/569472016.db2.gz VAMQVVBTPBHGLO-UHFFFAOYSA-N 0 0 433.515 5.411 50 0 IKAARN Cc1nc(SCc2nnc(-c3ccccc3Br)o2)n(C2CCCC2)c1C ZINC000008724995 569472053 /nfs/dbraw/zinc/47/20/53/569472053.db2.gz DUGMKSXULMIRTN-UHFFFAOYSA-N 0 0 433.375 5.720 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)c2nnc(-c3ccccc3)o2)s1 ZINC000008728400 569472409 /nfs/dbraw/zinc/47/24/09/569472409.db2.gz PWAGPRIPRLOPMF-ZDUSSCGKSA-N 0 0 425.539 5.584 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000008733502 569472477 /nfs/dbraw/zinc/47/24/77/569472477.db2.gz RPSOCBZAVRISNP-UHFFFAOYSA-N 0 0 432.829 6.013 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1)c1ccco1 ZINC000008733802 569472511 /nfs/dbraw/zinc/47/25/11/569472511.db2.gz LOJGXEUGQOVRRM-NRFANRHFSA-N 0 0 434.542 5.443 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1)c1ccco1 ZINC000008733801 569472543 /nfs/dbraw/zinc/47/25/43/569472543.db2.gz LOJGXEUGQOVRRM-OAQYLSRUSA-N 0 0 434.542 5.443 50 0 IKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccc(Cl)cc3Cl)nc2n1 ZINC000008733714 569472549 /nfs/dbraw/zinc/47/25/49/569472549.db2.gz UOIXBJOKKTXZMN-UHFFFAOYSA-N 0 0 427.131 6.767 50 0 IKAARN CN(C)c1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000008733608 569472550 /nfs/dbraw/zinc/47/25/50/569472550.db2.gz FSOSNXVLWFBMCK-UHFFFAOYSA-N 0 0 436.433 6.434 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000008735796 569472679 /nfs/dbraw/zinc/47/26/79/569472679.db2.gz BJONYCZSVGITIN-UHFFFAOYSA-N 0 0 438.358 5.754 50 0 IKAARN COc1ccc(CN(CC[C@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)C(C)=O)cc1 ZINC000008738751 569472754 /nfs/dbraw/zinc/47/27/54/569472754.db2.gz WWCBCYJNXBONTI-SVBPBHIXSA-N 0 0 439.596 5.215 50 0 biogenic IKAARN Cc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1ccnn1C(C)C ZINC000008747613 569473069 /nfs/dbraw/zinc/47/30/69/569473069.db2.gz RRBJJWNTWAOPOC-DEOSSOPVSA-N 0 0 429.524 5.231 50 0 IKAARN c1csc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2C[C@@H]2CCCO2)c1 ZINC000008748186 569473160 /nfs/dbraw/zinc/47/31/60/569473160.db2.gz STSPHGCAWUTPAA-KRWDZBQOSA-N 0 0 440.619 5.601 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)C(C)C ZINC000008750420 569473332 /nfs/dbraw/zinc/47/33/32/569473332.db2.gz PYIAWYYUOIUELK-UHFFFAOYSA-N 0 0 446.979 5.464 50 0 IKAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 ZINC000008750425 569473336 /nfs/dbraw/zinc/47/33/36/569473336.db2.gz AEJWPFSHIYUHLX-UHFFFAOYSA-N 0 0 427.526 5.036 50 0 IKAARN Clc1cc(CSc2nnc(-c3cccc(Br)c3)o2)cc2c1OCCO2 ZINC000008750298 569473339 /nfs/dbraw/zinc/47/33/39/569473339.db2.gz RXEBADZIQHCAPR-UHFFFAOYSA-N 0 0 439.718 5.216 50 0 IKAARN C[C@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000008749844 569473360 /nfs/dbraw/zinc/47/33/60/569473360.db2.gz PHMCJPPPGLNKGP-KBXCAEBGSA-N 0 0 444.398 5.073 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000008750139 569473379 /nfs/dbraw/zinc/47/33/79/569473379.db2.gz OCLYSLYQUUXRES-UHFFFAOYSA-N 0 0 449.963 5.137 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@](O)(C(F)(F)C(F)F)C2)cc1 ZINC000008750709 569473395 /nfs/dbraw/zinc/47/33/95/569473395.db2.gz CRBLQGYZIIJMAW-FQEVSTJZSA-N 0 0 435.446 5.322 50 0 IKAARN COc1ccccc1CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C ZINC000008751961 569473449 /nfs/dbraw/zinc/47/34/49/569473449.db2.gz QKONWDRMWNLGKJ-UHFFFAOYSA-N 0 0 433.504 5.013 50 0 IKAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)cc1 ZINC000008751968 569473468 /nfs/dbraw/zinc/47/34/68/569473468.db2.gz FOKHSMVUVCSTTK-UHFFFAOYSA-N 0 0 433.504 5.013 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3c(C)c(C)cc(C)c3C)CC2=O)c1 ZINC000008752397 569473501 /nfs/dbraw/zinc/47/35/01/569473501.db2.gz NZHSENJLTVGDGX-HSZRJFAPSA-N 0 0 437.587 6.147 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 ZINC000008752727 569473570 /nfs/dbraw/zinc/47/35/70/569473570.db2.gz DIZGOWSWFLZVSL-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 ZINC000008752507 569473605 /nfs/dbraw/zinc/47/36/05/569473605.db2.gz ACNYPHBPSPDGNO-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN CSc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008753111 569473639 /nfs/dbraw/zinc/47/36/39/569473639.db2.gz GBRXORVSARAYTI-GOSISDBHSA-N 0 0 431.536 5.466 50 0 IKAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008752882 569473654 /nfs/dbraw/zinc/47/36/54/569473654.db2.gz CGIPRDFXZVBGCA-HKUYNNGSSA-N 0 0 449.476 6.185 50 0 IKAARN C[C@H](c1ccccc1)n1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008752883 569473655 /nfs/dbraw/zinc/47/36/55/569473655.db2.gz CGIPRDFXZVBGCA-MJGOQNOKSA-N 0 0 449.476 6.185 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000008752802 569473660 /nfs/dbraw/zinc/47/36/60/569473660.db2.gz GNSWCLLIYCMDJE-FQEVSTJZSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008753313 569473663 /nfs/dbraw/zinc/47/36/63/569473663.db2.gz VJMXICPCJMERFH-HSZRJFAPSA-N 0 0 439.559 5.330 50 0 IKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000008753403 569473674 /nfs/dbraw/zinc/47/36/74/569473674.db2.gz JXAOVSYESIPEFJ-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008753177 569473687 /nfs/dbraw/zinc/47/36/87/569473687.db2.gz SEEUMVOZCGARPC-IBGZPJMESA-N 0 0 429.495 5.083 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000008753307 569473688 /nfs/dbraw/zinc/47/36/88/569473688.db2.gz LIIJEFLHZSOYDQ-QHCPKHFHSA-N 0 0 439.559 5.330 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000008753760 569473742 /nfs/dbraw/zinc/47/37/42/569473742.db2.gz MIEDMVMVGZQODU-UHFFFAOYSA-N 0 0 429.476 5.934 50 0 IKAARN Cc1ccc(Cc2cnc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)s2)cc1 ZINC000008753773 569473756 /nfs/dbraw/zinc/47/37/56/569473756.db2.gz QNXACMFPYVLKNF-UHFFFAOYSA-N 0 0 425.513 6.103 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000008754709 569473857 /nfs/dbraw/zinc/47/38/57/569473857.db2.gz CCQWPQBLIKHMPH-QHCPKHFHSA-N 0 0 439.559 5.194 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1cccc(Cl)c1 ZINC000008755079 569473889 /nfs/dbraw/zinc/47/38/89/569473889.db2.gz AFYCZCKMLMGINQ-LJQANCHMSA-N 0 0 445.950 5.679 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000008754872 569473901 /nfs/dbraw/zinc/47/39/01/569473901.db2.gz AWSBKEVDYMJHOG-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000008755030 569473905 /nfs/dbraw/zinc/47/39/05/569473905.db2.gz ISULESJUMJIDKI-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O ZINC000008755299 569473934 /nfs/dbraw/zinc/47/39/34/569473934.db2.gz SEDCEESSNFKADP-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000008755549 569473945 /nfs/dbraw/zinc/47/39/45/569473945.db2.gz UIHMFCPTXSAILW-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CSc3ncnc4sccc43)ccc2OC)cc1 ZINC000008755220 569473954 /nfs/dbraw/zinc/47/39/54/569473954.db2.gz GHVBJOSGPCQBTL-UHFFFAOYSA-N 0 0 437.546 5.106 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O ZINC000008755245 569473955 /nfs/dbraw/zinc/47/39/55/569473955.db2.gz FVPSYZYUGNWPDO-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O ZINC000008755565 569473964 /nfs/dbraw/zinc/47/39/64/569473964.db2.gz UEIFTMNHCNFUSX-KRWDZBQOSA-N 0 0 433.914 5.706 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000008755678 569474004 /nfs/dbraw/zinc/47/40/04/569474004.db2.gz FMLULCNDCWYSDT-LJQANCHMSA-N 0 0 445.950 5.576 50 0 IKAARN CC(C)n1c(SCC(=O)NCC2CCCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000008756034 569474012 /nfs/dbraw/zinc/47/40/12/569474012.db2.gz GTQYQMGTCMXRFZ-UHFFFAOYSA-N 0 0 441.428 5.621 50 0 IKAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 ZINC000008755656 569474019 /nfs/dbraw/zinc/47/40/19/569474019.db2.gz ALJIALGARQGPJP-ICSRJNTNSA-N 0 0 441.531 5.183 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccc(F)cc1 ZINC000008756266 569474062 /nfs/dbraw/zinc/47/40/62/569474062.db2.gz IVBKTUNGDDTUGI-OAHLLOKOSA-N 0 0 437.877 5.537 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756235 569474081 /nfs/dbraw/zinc/47/40/81/569474081.db2.gz ZYYDXVNKFJZRAW-HXUWFJFHSA-N 0 0 443.522 5.473 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1Cl ZINC000008756973 569474106 /nfs/dbraw/zinc/47/41/06/569474106.db2.gz KCCIPOWDYVGVEX-UHFFFAOYSA-N 0 0 428.001 6.243 50 0 IKAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccc(F)cc2)sc1Nc1ccc(CC)cc1 ZINC000008756728 569474126 /nfs/dbraw/zinc/47/41/26/569474126.db2.gz CKTYEXXOAOZWEJ-UHFFFAOYSA-N 0 0 446.569 5.190 50 0 IKAARN CCc1cccc(C)c1Nc1sc(C(=O)c2ccc(F)cc2)c(N)c1S(=O)(=O)CC ZINC000008756710 569474143 /nfs/dbraw/zinc/47/41/43/569474143.db2.gz LADYFUQIUFNUNN-UHFFFAOYSA-N 0 0 446.569 5.108 50 0 IKAARN Cc1cc(C)c(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 ZINC000008758641 569474236 /nfs/dbraw/zinc/47/42/36/569474236.db2.gz VGLSUAXIPZWOBC-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CSc1cc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000008762407 569474280 /nfs/dbraw/zinc/47/42/80/569474280.db2.gz CEXRXVCXEMBSCK-UHFFFAOYSA-N 0 0 428.793 7.350 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc3c(c2)OCO3)c2c(C)oc(C)c21 ZINC000008761970 569474308 /nfs/dbraw/zinc/47/43/08/569474308.db2.gz IWDMAOYMPVSLOW-XAYXJRQQSA-N 0 0 443.499 6.085 50 0 biogenic IKAARN FC(F)(F)c1cnc(Oc2ccc(-c3nccc(-c4cccs4)n3)cc2)c(Cl)c1 ZINC000008762976 569474327 /nfs/dbraw/zinc/47/43/27/569474327.db2.gz XPGPMEMMNRFOSQ-UHFFFAOYSA-N 0 0 433.842 6.732 50 0 IKAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1C ZINC000008762516 569474364 /nfs/dbraw/zinc/47/43/64/569474364.db2.gz MKYQIWGSMXQQEW-SFHVURJKSA-N 0 0 429.545 6.140 50 0 IKAARN CCOC(=O)CN(c1nc(-c2ccc(OC)cc2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000008763309 569474409 /nfs/dbraw/zinc/47/44/09/569474409.db2.gz VHGDAVZJJSZNDD-UHFFFAOYSA-N 0 0 436.455 5.539 50 0 IKAARN COc1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)o2)cc1 ZINC000008763014 569474424 /nfs/dbraw/zinc/47/44/24/569474424.db2.gz LALVKRVHNBNRBH-UHFFFAOYSA-N 0 0 429.505 5.014 50 0 IKAARN Cc1nccc(Sc2ccc(Cl)cc2)c1Oc1ncc(C(F)(F)F)cc1Cl ZINC000008763261 569474429 /nfs/dbraw/zinc/47/44/29/569474429.db2.gz OQQDOXQQGQICQJ-UHFFFAOYSA-N 0 0 431.266 7.054 50 0 IKAARN CC(C)CCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 ZINC000008766555 569474765 /nfs/dbraw/zinc/47/47/65/569474765.db2.gz HFFJJUMFXHGGQK-UHFFFAOYSA-N 0 0 438.575 6.251 50 0 IKAARN c1csc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)c1 ZINC000008766730 569474888 /nfs/dbraw/zinc/47/48/88/569474888.db2.gz GKCBHARQLWOOME-OAQYLSRUSA-N 0 0 432.508 6.292 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)C2=C(CCCC2)N1)c1ccc(Br)cc1 ZINC000008767637 569474909 /nfs/dbraw/zinc/47/49/09/569474909.db2.gz FUPZCHFYXLJHDO-UHFFFAOYSA-N 0 0 433.415 5.855 50 0 IKAARN Cc1ccc(CSc2nc(-c3ccccc3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 ZINC000008767768 569474923 /nfs/dbraw/zinc/47/49/23/569474923.db2.gz HVCRTEYQGCJOOT-UHFFFAOYSA-N 0 0 441.556 5.637 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(Cl)c2)o1 ZINC000008767962 569474927 /nfs/dbraw/zinc/47/49/27/569474927.db2.gz VQTOZUFFNGWSIU-GHTZIAJQSA-N 0 0 443.728 6.246 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000008768701 569475012 /nfs/dbraw/zinc/47/50/12/569475012.db2.gz QZEMYFYFMORNAW-UHFFFAOYSA-N 0 0 447.526 6.300 50 0 IKAARN Cc1ccc(C)c(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc32)c1 ZINC000008769507 569475086 /nfs/dbraw/zinc/47/50/86/569475086.db2.gz ZMJTYFPQUQHDEI-UHFFFAOYSA-N 0 0 436.599 6.890 50 0 IKAARN CCn1cc(/C=C2\N=C(c3ccco3)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 ZINC000008771510 569475207 /nfs/dbraw/zinc/47/52/07/569475207.db2.gz WSEBVESBZWYSGG-JLPGSUDCSA-N 0 0 448.526 5.608 50 0 IKAARN Cc1nc(NC(=O)Nc2ccc(C)cc2)sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000008771631 569475244 /nfs/dbraw/zinc/47/52/44/569475244.db2.gz WEQFEJBWZPWJPE-UHFFFAOYSA-N 0 0 428.945 5.030 50 0 IKAARN O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 ZINC000008772552 569475267 /nfs/dbraw/zinc/47/52/67/569475267.db2.gz PKLKSGICBOZHAF-HSZRJFAPSA-N 0 0 440.568 6.290 50 0 IKAARN O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](c3ccccc3)C[C@H]12 ZINC000008773745 569475292 /nfs/dbraw/zinc/47/52/92/569475292.db2.gz RRYJEBVHIBXFON-UTKZUKDTSA-N 0 0 427.466 5.323 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008776078 569475318 /nfs/dbraw/zinc/47/53/18/569475318.db2.gz XVADSWGAWXLQRM-HXUWFJFHSA-N 0 0 444.604 5.438 50 0 IKAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008774338 569475365 /nfs/dbraw/zinc/47/53/65/569475365.db2.gz XWBHWMFDGBGDPR-UHFFFAOYSA-N 0 0 437.499 5.065 50 0 IKAARN O=C(CCCc1nc2ccccc2s1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008777540 569475419 /nfs/dbraw/zinc/47/54/19/569475419.db2.gz WIDQUHIZIVUHTB-UHFFFAOYSA-N 0 0 431.565 5.243 50 0 IKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CC[C@H](C)C3)c1 ZINC000008781325 569475642 /nfs/dbraw/zinc/47/56/42/569475642.db2.gz IITWULYVMMLBGY-HNNXBMFYSA-N 0 0 438.980 6.339 50 0 IKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CC[C@@H](C)C3)c1 ZINC000008781324 569475655 /nfs/dbraw/zinc/47/56/55/569475655.db2.gz IITWULYVMMLBGY-OAHLLOKOSA-N 0 0 438.980 6.339 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1Br ZINC000008781009 569475670 /nfs/dbraw/zinc/47/56/70/569475670.db2.gz FFQOEJOZENDSJC-GYHWCHFESA-N 0 0 437.362 6.209 50 0 IKAARN COc1ccc(N(Cc2ccccc2)C(=O)CSc2cccc(Cl)c2Cl)cc1 ZINC000008781555 569475671 /nfs/dbraw/zinc/47/56/71/569475671.db2.gz RVGPOEYNHQMZSN-UHFFFAOYSA-N 0 0 432.372 6.328 50 0 IKAARN COc1ccc(OC)c(C(c2c(O)ccc3ccccc32)c2c(O)ccc3ccccc32)c1 ZINC000008781117 569475673 /nfs/dbraw/zinc/47/56/73/569475673.db2.gz YDOBGHMAWONCOZ-UHFFFAOYSA-N 0 0 436.507 6.602 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1 ZINC000008781083 569475674 /nfs/dbraw/zinc/47/56/74/569475674.db2.gz UKJUBZQCODYRBG-UHFFFAOYSA-N 0 0 442.559 7.224 50 0 IKAARN CCn1c(SCc2ccc(OC)cc2)nnc1-c1cc2c(s1)-c1ccccc1CC2 ZINC000008781771 569475689 /nfs/dbraw/zinc/47/56/89/569475689.db2.gz XGIVDEVBUGMMRN-UHFFFAOYSA-N 0 0 433.602 6.093 50 0 IKAARN Clc1cc(-c2ccnc(SCc3ccc(Br)cc3)n2)c(Cl)s1 ZINC000008782050 569475736 /nfs/dbraw/zinc/47/57/36/569475736.db2.gz OJPTWPZTPPHAQX-UHFFFAOYSA-N 0 0 432.195 6.567 50 0 IKAARN COC(=O)c1ccc(Sc2ccccc2NC(=O)c2cccc(Cl)c2Cl)nc1 ZINC000008782064 569475765 /nfs/dbraw/zinc/47/57/65/569475765.db2.gz HZBCUSOQUPXEGQ-UHFFFAOYSA-N 0 0 433.316 5.579 50 0 IKAARN Cc1ccc(C(=O)n2ccc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 ZINC000008782075 569475780 /nfs/dbraw/zinc/47/57/80/569475780.db2.gz WTSMGXVHJOVANI-UHFFFAOYSA-N 0 0 437.326 6.433 50 0 IKAARN O=C(CCNc1cccc(Cl)c1)c1ccc(C(=O)CCNc2cccc(Cl)c2)cc1 ZINC000008782987 569475846 /nfs/dbraw/zinc/47/58/46/569475846.db2.gz SWDWYBVSFBAVGJ-UHFFFAOYSA-N 0 0 441.358 6.363 50 0 IKAARN CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)C1 ZINC000008783315 569475862 /nfs/dbraw/zinc/47/58/62/569475862.db2.gz ATZFDDWHFVQWFV-ATJNGWRESA-N 0 0 441.571 5.606 50 0 IKAARN CCc1ccc(NCCC(=O)c2ccc(C(=O)CCNc3ccc(CC)cc3)cc2)cc1 ZINC000008783577 569475889 /nfs/dbraw/zinc/47/58/89/569475889.db2.gz NZJOBWPNIITBNT-UHFFFAOYSA-N 0 0 428.576 6.181 50 0 IKAARN COc1ccc(OC)c(-c2nc(C(=O)NC3CCC(C)CC3)cc3c4ccccc4[nH]c32)c1 ZINC000008788788 569475898 /nfs/dbraw/zinc/47/58/98/569475898.db2.gz OPBBAQRHZIKWMC-UHFFFAOYSA-N 0 0 443.547 5.709 50 0 biogenic IKAARN CCc1ccc([C@@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@H]3c3[nH]c4ccccc4c32)cc1 ZINC000008790897 569476108 /nfs/dbraw/zinc/47/61/08/569476108.db2.gz KNHKMDWJHCJIQX-FNZWTVRRSA-N 0 0 438.527 5.438 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NC[C@@H]4CCCO4)c(C)c3cc2c1-c1ccccc1 ZINC000008791718 569476245 /nfs/dbraw/zinc/47/62/45/569476245.db2.gz QWJUOUBWSUOISF-IBGZPJMESA-N 0 0 445.515 5.051 50 0 biogenic IKAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCc3ccccn3)c(=O)oc12 ZINC000008791619 569476247 /nfs/dbraw/zinc/47/62/47/569476247.db2.gz WMPSDUKGTQSLJR-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc12 ZINC000008791732 569476269 /nfs/dbraw/zinc/47/62/69/569476269.db2.gz HYFHMIWUFOLGDV-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(C)C)C2 ZINC000008793045 569476294 /nfs/dbraw/zinc/47/62/94/569476294.db2.gz LYIXHEBZSLJKOJ-UHFFFAOYSA-N 0 0 447.409 5.312 50 0 IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cccnc4)c(C)c3cc2c1-c1ccccc1 ZINC000008792529 569476350 /nfs/dbraw/zinc/47/63/50/569476350.db2.gz FVVNLAFIXJCREV-UHFFFAOYSA-N 0 0 438.483 5.789 50 0 biogenic IKAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)c1 ZINC000008793706 569476372 /nfs/dbraw/zinc/47/63/72/569476372.db2.gz MAXQHEGQNSHWLF-UHFFFAOYSA-N 0 0 429.545 5.407 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(Br)cc2)cc1 ZINC000008809420 569476530 /nfs/dbraw/zinc/47/65/30/569476530.db2.gz ZSHJBMJNDPORCZ-XUZZJYLKSA-N 0 0 447.332 5.510 50 0 IKAARN Cc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000008813409 569476634 /nfs/dbraw/zinc/47/66/34/569476634.db2.gz CIMXQQRIPHSAQT-JLHYYAGUSA-N 0 0 443.355 6.059 50 0 IKAARN O=S(=O)(c1cc(Cl)ccc1Cl)n1c(/C=C/c2ccc(F)cc2)nc2ccccc21 ZINC000008813385 569476688 /nfs/dbraw/zinc/47/66/88/569476688.db2.gz LCAWELFIIRAMFI-KPKJPENVSA-N 0 0 447.318 5.890 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008817110 569476820 /nfs/dbraw/zinc/47/68/20/569476820.db2.gz QQSCPTWWKANGPZ-ZCYQVOJMSA-N 0 0 437.370 7.359 50 0 IKAARN Fc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008817185 569476851 /nfs/dbraw/zinc/47/68/51/569476851.db2.gz VJFMKVICVXBPSM-RBBKRZOGSA-N 0 0 447.724 7.028 50 0 IKAARN CCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000008818299 569477013 /nfs/dbraw/zinc/47/70/13/569477013.db2.gz GKLRSWANIAOLBO-UHFFFAOYSA-N 0 0 443.682 6.962 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccccc4)o3)[C@@H](c3ccco3)C2)cc1 ZINC000008824653 569477247 /nfs/dbraw/zinc/47/72/47/569477247.db2.gz QYSWVOJIMRABFU-HXUWFJFHSA-N 0 0 444.516 5.108 50 0 IKAARN Cc1ccccc1COc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F ZINC000008825476 569477393 /nfs/dbraw/zinc/47/73/93/569477393.db2.gz YLYAMAHDTOYCFN-UHFFFAOYSA-N 0 0 443.421 5.388 50 0 IKAARN Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)n1 ZINC000008825661 569477424 /nfs/dbraw/zinc/47/74/24/569477424.db2.gz SAXJMJLHWDALNY-AWEZNQCLSA-N 0 0 430.526 5.067 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000008825843 569477459 /nfs/dbraw/zinc/47/74/59/569477459.db2.gz XAUMGDNUJFGXHX-RBZFPXEDSA-N 0 0 433.335 5.371 50 0 IKAARN Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2F)n1 ZINC000008825662 569477476 /nfs/dbraw/zinc/47/74/76/569477476.db2.gz SAXJMJLHWDALNY-CQSZACIVSA-N 0 0 430.526 5.067 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008825960 569477533 /nfs/dbraw/zinc/47/75/33/569477533.db2.gz APLGFNKPUNAJBF-UHFFFAOYSA-N 0 0 438.698 5.181 50 0 IKAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008827498 569477688 /nfs/dbraw/zinc/47/76/88/569477688.db2.gz WTXBRTPNIFOQRG-JOCHJYFZSA-N 0 0 438.508 5.769 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2C)cc1Cl ZINC000008828007 569477708 /nfs/dbraw/zinc/47/77/08/569477708.db2.gz OJPGCDFKJKSNJM-UHFFFAOYSA-N 0 0 449.890 5.652 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 ZINC000008828179 569477792 /nfs/dbraw/zinc/47/77/92/569477792.db2.gz RIEJBLMRAIQBMU-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)cc1 ZINC000008828183 569477795 /nfs/dbraw/zinc/47/77/95/569477795.db2.gz UIPSSZYRCFHWQF-JOCHJYFZSA-N 0 0 447.538 5.767 50 0 IKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O ZINC000008828217 569477800 /nfs/dbraw/zinc/47/78/00/569477800.db2.gz JIWBVOQUBNCVRZ-QFIPXVFZSA-N 0 0 439.559 5.724 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000008831847 569477809 /nfs/dbraw/zinc/47/78/09/569477809.db2.gz ZXHXCKQLQFEUKV-UHFFFAOYSA-N 0 0 443.355 6.596 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000008828277 569477828 /nfs/dbraw/zinc/47/78/28/569477828.db2.gz UZEIDXGFGJBQJE-LJQANCHMSA-N 0 0 449.476 5.932 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1Cc1ccccc1 ZINC000008828306 569477844 /nfs/dbraw/zinc/47/78/44/569477844.db2.gz PQSJLPVWRALWBT-FQEVSTJZSA-N 0 0 445.950 5.285 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008828260 569477857 /nfs/dbraw/zinc/47/78/57/569477857.db2.gz YAHVRNFULCABCG-IBGZPJMESA-N 0 0 449.476 5.932 50 0 IKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3noc(-c4ccccc4)c3c2)cc1 ZINC000008834428 569477860 /nfs/dbraw/zinc/47/78/60/569477860.db2.gz JPBCLNCLFGEBPW-LITSAYRRSA-N 0 0 443.506 6.737 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 ZINC000008832179 569477882 /nfs/dbraw/zinc/47/78/82/569477882.db2.gz NGSIADGLFDDDFE-UHFFFAOYSA-N 0 0 444.535 5.341 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000008833424 569477911 /nfs/dbraw/zinc/47/79/11/569477911.db2.gz KYXQKFLVIWKAPI-UHFFFAOYSA-N 0 0 428.879 6.099 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3cccc(C)c3)oc3c4ccccc4sc3c2=O)cc1 ZINC000008836306 569478031 /nfs/dbraw/zinc/47/80/31/569478031.db2.gz AMNPBLDVRBIXJY-UHFFFAOYSA-N 0 0 441.508 6.244 50 0 IKAARN COc1cc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc(OC)c1OC ZINC000008836481 569478077 /nfs/dbraw/zinc/47/80/77/569478077.db2.gz BZILCHRMLJAUJX-UHFFFAOYSA-N 0 0 444.535 5.563 50 0 IKAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 ZINC000008836585 569478085 /nfs/dbraw/zinc/47/80/85/569478085.db2.gz RDMWQXJOZIPZHK-UHFFFAOYSA-N 0 0 446.869 5.305 50 0 IKAARN Cc1ccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)cc1 ZINC000008837230 569478158 /nfs/dbraw/zinc/47/81/58/569478158.db2.gz RIVBDPLSRXLBHV-UHFFFAOYSA-N 0 0 432.545 5.297 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c1 ZINC000008837654 569478257 /nfs/dbraw/zinc/47/82/57/569478257.db2.gz FXSYKZIRKOHJLA-FXAWDEMLSA-N 0 0 429.701 5.938 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Br)cc2)o1 ZINC000008844262 569478572 /nfs/dbraw/zinc/47/85/72/569478572.db2.gz HXVZJFQXSGFRAY-AWEZNQCLSA-N 0 0 440.363 5.196 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000008844270 569478592 /nfs/dbraw/zinc/47/85/92/569478592.db2.gz HCHZRBONHCQDRQ-AWEZNQCLSA-N 0 0 430.357 5.741 50 0 IKAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)N(Cc2ccco2)C3=O)c1 ZINC000008845257 569478729 /nfs/dbraw/zinc/47/87/29/569478729.db2.gz DELIXPQEJZCUSI-VWLOTQADSA-N 0 0 427.504 5.553 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845300 569478784 /nfs/dbraw/zinc/47/87/84/569478784.db2.gz FOJNJWPQEHICKP-RUZDIDTESA-N 0 0 443.503 5.300 50 0 IKAARN Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(Cc2ccco2)C3=O)c(O)c1 ZINC000008845466 569478832 /nfs/dbraw/zinc/47/88/32/569478832.db2.gz GFWQOLASQQOIQP-HSZRJFAPSA-N 0 0 433.895 5.391 50 0 IKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008845311 569478843 /nfs/dbraw/zinc/47/88/43/569478843.db2.gz QQQIMHIELZDMHA-VWLOTQADSA-N 0 0 449.551 5.171 50 0 IKAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846252 569479105 /nfs/dbraw/zinc/47/91/05/569479105.db2.gz NZOKTCPPEGXKAW-XMMPIXPASA-N 0 0 440.499 5.031 50 0 IKAARN COc1cc([C@H]2c3cc(C)c(C)cc3Nc3c4ccccc4oc(=O)c32)cc(OC)c1OC ZINC000008846840 569479123 /nfs/dbraw/zinc/47/91/23/569479123.db2.gz MAJSNNSKEWKTCC-QHCPKHFHSA-N 0 0 443.499 5.673 50 0 IKAARN Nc1c(C(=O)NCCc2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008846727 569479149 /nfs/dbraw/zinc/47/91/49/569479149.db2.gz RUHZWVLXFYMGAI-UHFFFAOYSA-N 0 0 447.507 5.598 50 0 IKAARN Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCCCc1ccccc1 ZINC000008847818 569479154 /nfs/dbraw/zinc/47/91/54/569479154.db2.gz NNQUYEKCVLTZPS-UHFFFAOYSA-N 0 0 428.945 5.112 50 0 IKAARN CCOc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1OC ZINC000008846724 569479168 /nfs/dbraw/zinc/47/91/68/569479168.db2.gz MFPPOWAYQGVVNC-NDEPHWFRSA-N 0 0 437.539 6.527 50 0 IKAARN COc1ccc(C2=NN(C(=O)CSc3ccc(F)c(F)c3)[C@@H](c3ccco3)C2)cc1 ZINC000008849213 569479211 /nfs/dbraw/zinc/47/92/11/569479211.db2.gz MPXWHJVPSUKGQQ-HXUWFJFHSA-N 0 0 428.460 5.036 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1Br ZINC000008850944 569479370 /nfs/dbraw/zinc/47/93/70/569479370.db2.gz RWLZMOJAJRPYCU-CQSZACIVSA-N 0 0 431.355 5.087 50 0 IKAARN Cc1cccc2sc(NC(=O)Cc3csc(SCc4ccc(Cl)cc4)n3)nc21 ZINC000008854468 569479619 /nfs/dbraw/zinc/47/96/19/569479619.db2.gz APSCKHBRZWKAGM-UHFFFAOYSA-N 0 0 446.022 6.188 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(OC)cc1OC)C(C)(C)N2 ZINC000008855075 569479677 /nfs/dbraw/zinc/47/96/77/569479677.db2.gz FUCFNSFPSQAKIB-LNVKXUELSA-N 0 0 428.579 5.786 50 0 IKAARN Cc1cccc(-n2c(=O)c3c(nc2SCCC(C)C)sc2c3CCc3ccccc3-2)c1 ZINC000008856444 569479816 /nfs/dbraw/zinc/47/98/16/569479816.db2.gz GEKCVAYUAZVDTB-UHFFFAOYSA-N 0 0 446.641 6.659 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc(Oc2ccccc2)c1 ZINC000008856916 569479829 /nfs/dbraw/zinc/47/98/29/569479829.db2.gz QBICVRZPTWZZAM-UHFFFAOYSA-N 0 0 448.547 7.522 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1C ZINC000008857549 569479864 /nfs/dbraw/zinc/47/98/64/569479864.db2.gz JAONASINMYZOSW-HNNXBMFYSA-N 0 0 433.573 6.437 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)c3cccc(NC(=O)c4cccs4)c3)ccc2c1 ZINC000008860940 569479917 /nfs/dbraw/zinc/47/99/17/569479917.db2.gz TYUUIQOXFWDASR-UHFFFAOYSA-N 0 0 430.529 5.434 50 0 IKAARN Cc1c(-c2ccccc2)sc(NC(=O)C(F)(F)F)c1C(=O)Nc1ccc(C)cc1C ZINC000008861173 569479987 /nfs/dbraw/zinc/47/99/87/569479987.db2.gz KZUZKGPJDSMKHJ-UHFFFAOYSA-N 0 0 432.467 6.093 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)c(C)c1 ZINC000008861863 569480036 /nfs/dbraw/zinc/48/00/36/569480036.db2.gz GAUQVRVZVDFZEA-UHFFFAOYSA-N 0 0 439.610 5.270 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)c3c(C)nn(Cc4ccc(C)cc4)c3C)s2)cs1 ZINC000008862227 569480135 /nfs/dbraw/zinc/48/01/35/569480135.db2.gz OULWYVTZTJQERB-UHFFFAOYSA-N 0 0 436.606 5.280 50 0 IKAARN C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008862523 569480211 /nfs/dbraw/zinc/48/02/11/569480211.db2.gz QJSCACXXVMASKN-NSHDSACASA-N 0 0 441.862 5.452 50 0 IKAARN C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008862524 569480226 /nfs/dbraw/zinc/48/02/26/569480226.db2.gz QJSCACXXVMASKN-LLVKDONJSA-N 0 0 441.862 5.452 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1coc2cc(C)ccc12 ZINC000008868154 569480327 /nfs/dbraw/zinc/48/03/27/569480327.db2.gz IACBKGQSZMXTOE-UHFFFAOYSA-N 0 0 433.529 6.136 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000008868725 569480351 /nfs/dbraw/zinc/48/03/51/569480351.db2.gz BVIIFFXUYORJFK-QHCPKHFHSA-N 0 0 429.472 5.229 50 0 IKAARN O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000008869938 569480472 /nfs/dbraw/zinc/48/04/72/569480472.db2.gz PUJIEUPROGCANC-KRWDZBQOSA-N 0 0 443.168 5.577 50 0 IKAARN CCCCC1CCC(C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000008869744 569480481 /nfs/dbraw/zinc/48/04/81/569480481.db2.gz WEIOYTUCELBDMY-JVPYDEADSA-N 0 0 441.637 5.352 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000008870330 569480537 /nfs/dbraw/zinc/48/05/37/569480537.db2.gz IHFCRBWHMHHWHV-UHFFFAOYSA-N 0 0 449.956 5.851 50 0 IKAARN CC(C)CCC[C@H](C)NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000008871079 569480693 /nfs/dbraw/zinc/48/06/93/569480693.db2.gz OTOFQXHBCSFACT-INIZCTEOSA-N 0 0 449.986 5.754 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c3nc4ccccc4nc32)cc1C ZINC000008871080 569480709 /nfs/dbraw/zinc/48/07/09/569480709.db2.gz KWYLJQDOWQMAHD-IBGZPJMESA-N 0 0 443.595 5.717 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1Cl ZINC000008871259 569480762 /nfs/dbraw/zinc/48/07/62/569480762.db2.gz SJOKQTHOJKOQMB-LJQANCHMSA-N 0 0 445.950 5.679 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000008871359 569480783 /nfs/dbraw/zinc/48/07/83/569480783.db2.gz KYOPYFOOPNSSGD-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 ZINC000008871517 569480819 /nfs/dbraw/zinc/48/08/19/569480819.db2.gz CWSSYZKPILTIQK-JOCHJYFZSA-N 0 0 439.559 5.621 50 0 IKAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)cc1 ZINC000008871516 569480830 /nfs/dbraw/zinc/48/08/30/569480830.db2.gz MQKONFLDFDAWHL-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)cc1 ZINC000008871454 569480832 /nfs/dbraw/zinc/48/08/32/569480832.db2.gz CSHYXBQEGHMQPF-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 ZINC000008871521 569480836 /nfs/dbraw/zinc/48/08/36/569480836.db2.gz WQDMPCPXCUPVQP-LJQANCHMSA-N 0 0 445.950 5.657 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 ZINC000008871870 569480874 /nfs/dbraw/zinc/48/08/74/569480874.db2.gz LNHVGCLCTVXGPH-KRWDZBQOSA-N 0 0 441.593 6.092 50 0 IKAARN CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000008871940 569480896 /nfs/dbraw/zinc/48/08/96/569480896.db2.gz WUKVJNDZNLVVGU-UHFFFAOYSA-N 0 0 429.538 5.424 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000008872443 569480945 /nfs/dbraw/zinc/48/09/45/569480945.db2.gz CWOHJFBYCARWDV-UHFFFAOYSA-N 0 0 431.517 6.645 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1ccsc1)occ3-c1ccccc1 ZINC000008876981 569481130 /nfs/dbraw/zinc/48/11/30/569481130.db2.gz WSVFHTYUNNJUMW-UHFFFAOYSA-N 0 0 443.524 5.478 50 0 biogenic IKAARN CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)cc1 ZINC000008878709 569481295 /nfs/dbraw/zinc/48/12/95/569481295.db2.gz SGCWFGRNOYYELJ-UHFFFAOYSA-N 0 0 429.472 5.110 50 0 biogenic IKAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(C)c21 ZINC000008879913 569481434 /nfs/dbraw/zinc/48/14/34/569481434.db2.gz MQYLIHOPRQVRBS-MRXNPFEDSA-N 0 0 442.515 5.236 50 0 biogenic IKAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccnc1Oc1ccccc1 ZINC000008880591 569481525 /nfs/dbraw/zinc/48/15/25/569481525.db2.gz FYDQJENAFZPSNG-UHFFFAOYSA-N 0 0 449.308 5.134 50 0 IKAARN O=C(/C=C/c1c(Cl)nc2sccn12)OCc1csc(-c2ccccc2Cl)n1 ZINC000039608547 569481848 /nfs/dbraw/zinc/48/18/48/569481848.db2.gz LXGRVIPSOPRFQO-AATRIKPKSA-N 0 0 436.345 5.583 50 0 IKAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCc1ccco1)c1ccc(Cl)cc1 ZINC000039844011 569481852 /nfs/dbraw/zinc/48/18/52/569481852.db2.gz QHFBPWVIYRGMKM-UHFFFAOYSA-N 0 0 432.860 5.172 50 0 IKAARN CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccco2)C2(C(=O)Nc3ccccc3)CCCCC2)C1(C)C ZINC000039931736 569482086 /nfs/dbraw/zinc/48/20/86/569482086.db2.gz ZHWREXPFMJFWSP-BJKOFHAPSA-N 0 0 448.607 6.188 50 0 IKAARN CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccco2)C2(C(=O)Nc3ccccc3)CCCCC2)C1(C)C ZINC000039931737 569482103 /nfs/dbraw/zinc/48/21/03/569482103.db2.gz ZHWREXPFMJFWSP-RPWUZVMVSA-N 0 0 448.607 6.188 50 0 IKAARN C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1nc2ccccc2n1C(F)F ZINC000039983229 569482263 /nfs/dbraw/zinc/48/22/63/569482263.db2.gz QEJGMEQMOGEMML-HUUCEWRRSA-N 0 0 432.492 5.621 50 0 IKAARN CC(C)[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc2c(c1)OCCCO2 ZINC000039984353 569482315 /nfs/dbraw/zinc/48/23/15/569482315.db2.gz NUSWDHITESHHGL-OAQYLSRUSA-N 0 0 428.579 5.089 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1SCc1ccccc1 ZINC000039995571 569482399 /nfs/dbraw/zinc/48/23/99/569482399.db2.gz INXPGIZPVYPZSI-DEOSSOPVSA-N 0 0 428.557 5.882 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000040023335 569482712 /nfs/dbraw/zinc/48/27/12/569482712.db2.gz IYXPUNHTCYDYAK-DEOSSOPVSA-N 0 0 429.545 5.277 50 0 IKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c12 ZINC000040024974 569482799 /nfs/dbraw/zinc/48/27/99/569482799.db2.gz QIJFGSZIMJBQSN-HXUWFJFHSA-N 0 0 440.528 5.785 50 0 IKAARN CCSc1nnc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000008880901 569482909 /nfs/dbraw/zinc/48/29/09/569482909.db2.gz QXQAMGBGVVRCKZ-ZETCQYMHSA-N 0 0 427.926 5.442 50 0 IKAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(-c2ccncc2)n1C1CC1 ZINC000008882818 569482984 /nfs/dbraw/zinc/48/29/84/569482984.db2.gz NDZGQENLJWLIJE-UHFFFAOYSA-N 0 0 437.528 5.335 50 0 IKAARN CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccccc1 ZINC000008883403 569483021 /nfs/dbraw/zinc/48/30/21/569483021.db2.gz ZSJOJAJNARCKDT-UHFFFAOYSA-N 0 0 449.605 5.203 50 0 IKAARN CC(=O)N[C@H](CC(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1cccs1 ZINC000040033654 569483182 /nfs/dbraw/zinc/48/31/82/569483182.db2.gz DYLYDZLEIUOJMP-HYBUGGRVSA-N 0 0 438.618 5.162 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000040040407 569483430 /nfs/dbraw/zinc/48/34/30/569483430.db2.gz SJCLXJMEGLCGLC-MRXNPFEDSA-N 0 0 448.466 5.049 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000008892696 569483451 /nfs/dbraw/zinc/48/34/51/569483451.db2.gz UFHHJUYDSWAKDC-JXFKEZNVSA-N 0 0 445.415 6.868 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000040040325 569483468 /nfs/dbraw/zinc/48/34/68/569483468.db2.gz HFZKEQWOIGPSBO-HXUWFJFHSA-N 0 0 449.284 5.251 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1SCc1cscn1 ZINC000040042989 569483555 /nfs/dbraw/zinc/48/35/55/569483555.db2.gz JXIZLLVKZGRDSU-UHFFFAOYSA-N 0 0 428.888 6.360 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008893156 569483582 /nfs/dbraw/zinc/48/35/82/569483582.db2.gz YQTIGOLFDKSZJK-QGZVFWFLSA-N 0 0 441.560 5.461 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)cc1 ZINC000008895841 569483784 /nfs/dbraw/zinc/48/37/84/569483784.db2.gz FTZKGEBJZSMNGZ-OAQYLSRUSA-N 0 0 434.590 5.248 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2ccccc2c1 ZINC000008895639 569483820 /nfs/dbraw/zinc/48/38/20/569483820.db2.gz NXJNLXALUWZMSE-INIZCTEOSA-N 0 0 446.551 5.542 50 0 IKAARN COc1ccc(C2=NN(C(=O)CSc3ccc4ccccc4n3)[C@H](c3ccco3)C2)cc1 ZINC000008898626 569483995 /nfs/dbraw/zinc/48/39/95/569483995.db2.gz GAMIPXFTBMWODR-QFIPXVFZSA-N 0 0 443.528 5.306 50 0 IKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1SC[C@@H]1CCCO1 ZINC000008897965 569484004 /nfs/dbraw/zinc/48/40/04/569484004.db2.gz CNXZKENEHZZRKV-FQEVSTJZSA-N 0 0 448.592 5.195 50 0 IKAARN CCOc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(OCC)c1OCC ZINC000008898817 569484061 /nfs/dbraw/zinc/48/40/61/569484061.db2.gz CLQGSZJPFLBBOK-OAHLLOKOSA-N 0 0 428.554 5.326 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1F ZINC000040050585 569484220 /nfs/dbraw/zinc/48/42/20/569484220.db2.gz AQIUJDLGCMCNOC-CQSZACIVSA-N 0 0 430.526 5.067 50 0 IKAARN CN(Cc1ccccc1N1CCOCC1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000040051027 569484311 /nfs/dbraw/zinc/48/43/11/569484311.db2.gz OEOSILKGUCDTNK-UHFFFAOYSA-N 0 0 426.988 5.037 50 0 IKAARN Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)ccc1Br ZINC000008901885 569484407 /nfs/dbraw/zinc/48/44/07/569484407.db2.gz AFFBTTSIQPMAHL-UHFFFAOYSA-N 0 0 449.399 5.143 50 0 IKAARN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)Nc2c(C)nn(C)c2C)s1 ZINC000040058920 569484700 /nfs/dbraw/zinc/48/47/00/569484700.db2.gz VOIKYQYWRTVBRK-UHFFFAOYSA-N 0 0 447.564 5.094 50 0 IKAARN Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(-c3ccccc3)cc1)CSC2 ZINC000008909782 569484738 /nfs/dbraw/zinc/48/47/38/569484738.db2.gz YGBUUKAASXSFIV-UHFFFAOYSA-N 0 0 425.557 5.776 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000008909471 569484768 /nfs/dbraw/zinc/48/47/68/569484768.db2.gz NEEOBLPWGXTYLV-UHFFFAOYSA-N 0 0 425.557 5.780 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(-c4ccccc4)cc2)CSC3)c(C)c1 ZINC000008910011 569484769 /nfs/dbraw/zinc/48/47/69/569484769.db2.gz ONTMACOVSRUVIR-UHFFFAOYSA-N 0 0 439.584 6.084 50 0 IKAARN O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1)N1CCCC1 ZINC000008911842 569484909 /nfs/dbraw/zinc/48/49/09/569484909.db2.gz FSQBZRKJBXOZLO-UHFFFAOYSA-N 0 0 446.551 5.147 50 0 IKAARN Cc1ccccc1Cn1c2cnccc2nc1SCc1ccc(C(=O)NC(C)C)cc1 ZINC000008911848 569484916 /nfs/dbraw/zinc/48/49/16/569484916.db2.gz KWYOOAXXICFCHT-UHFFFAOYSA-N 0 0 430.577 5.219 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000008911657 569484919 /nfs/dbraw/zinc/48/49/19/569484919.db2.gz MNQPPNPZCIHPPI-UHFFFAOYSA-N 0 0 425.916 5.382 50 0 IKAARN Cc1cc2sc(N3CCC(C(=O)NCc4ccc(OC(C)C)cc4)CC3)nc2c(C)c1 ZINC000008911724 569484924 /nfs/dbraw/zinc/48/49/24/569484924.db2.gz FKJRUAIVLAVPCA-UHFFFAOYSA-N 0 0 437.609 5.233 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000008911583 569484933 /nfs/dbraw/zinc/48/49/33/569484933.db2.gz LHWAIUHQGBUSAH-UHFFFAOYSA-N 0 0 437.370 6.876 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000008912003 569484940 /nfs/dbraw/zinc/48/49/40/569484940.db2.gz WCNRHVUCGPDQJR-UHFFFAOYSA-N 0 0 443.550 6.326 50 0 IKAARN CCc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)[C@@H](O)CC2(CCCCC2)O4)cc1 ZINC000008912101 569484963 /nfs/dbraw/zinc/48/49/63/569484963.db2.gz GJISLGYIWBPOGU-FQEVSTJZSA-N 0 0 433.548 5.752 50 0 biogenic IKAARN CCOc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2SC3)cc1OCC ZINC000008912529 569485020 /nfs/dbraw/zinc/48/50/20/569485020.db2.gz NMSJXLHYPCQDHX-UHFFFAOYSA-N 0 0 439.602 5.791 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008912997 569485127 /nfs/dbraw/zinc/48/51/27/569485127.db2.gz FVJFECXUJPTESY-UHFFFAOYSA-N 0 0 440.572 6.352 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1cccc(F)c1 ZINC000008913067 569485156 /nfs/dbraw/zinc/48/51/56/569485156.db2.gz MTQQFBJCHQQOMX-HXUWFJFHSA-N 0 0 438.503 5.592 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913023 569485157 /nfs/dbraw/zinc/48/51/57/569485157.db2.gz IGVZIDRRHOZPIA-UHFFFAOYSA-N 0 0 440.572 6.352 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1Cn1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000008913070 569485173 /nfs/dbraw/zinc/48/51/73/569485173.db2.gz JJXDLZGIAPHPIG-UHFFFAOYSA-N 0 0 448.498 6.014 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1Cn1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913021 569485174 /nfs/dbraw/zinc/48/51/74/569485174.db2.gz AQSMGNJUYSUCNI-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000008913072 569485178 /nfs/dbraw/zinc/48/51/78/569485178.db2.gz RJJXVDQSLGJFKX-UHFFFAOYSA-N 0 0 430.508 5.874 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000008913073 569485186 /nfs/dbraw/zinc/48/51/86/569485186.db2.gz QYWNQJKCVZDLLR-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN CCN(C(=O)Cn1c2cnccc2nc1SCc1ccc(OC)cc1)c1cccc(C)c1 ZINC000008913159 569485220 /nfs/dbraw/zinc/48/52/20/569485220.db2.gz YAHJQDFUQUROSP-UHFFFAOYSA-N 0 0 446.576 5.094 50 0 IKAARN Cc1ccccc1CSc1nc2ccncc2n1CC(=O)Nc1cccc(Cl)c1C ZINC000008913198 569485222 /nfs/dbraw/zinc/48/52/22/569485222.db2.gz LJGSXZIRPANDGN-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1cc(C)ccc1C ZINC000008913101 569485228 /nfs/dbraw/zinc/48/52/28/569485228.db2.gz MAMROVCFCAYMJW-UHFFFAOYSA-N 0 0 440.572 6.352 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1c2cnccc2nc1SCc1ccccc1C ZINC000008913212 569485262 /nfs/dbraw/zinc/48/52/62/569485262.db2.gz QAVCKYGALINKLQ-NRFANRHFSA-N 0 0 446.576 5.630 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)Cn1c2cnccc2nc1SCc1cccc(Cl)c1 ZINC000008913216 569485281 /nfs/dbraw/zinc/48/52/81/569485281.db2.gz YSKQGMKFQMJDIS-GOSISDBHSA-N 0 0 428.989 5.168 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008913378 569485318 /nfs/dbraw/zinc/48/53/18/569485318.db2.gz LJXWPNRWOIBHKP-UHFFFAOYSA-N 0 0 434.540 5.051 50 0 IKAARN O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1)N1CCCCC1 ZINC000008913444 569485339 /nfs/dbraw/zinc/48/53/39/569485339.db2.gz ZYLZUTGZRFQBKI-UHFFFAOYSA-N 0 0 442.588 5.398 50 0 IKAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Br)c(Br)s1 ZINC000040069848 569485422 /nfs/dbraw/zinc/48/54/22/569485422.db2.gz NRYGVPJOKGDGFB-SECBINFHSA-N 0 0 433.165 5.115 50 0 IKAARN Cc1nnc(SCC(=O)N(C)Cc2cccc(Cl)c2Cl)n1-c1cc(C)ccc1C ZINC000068979964 569485443 /nfs/dbraw/zinc/48/54/43/569485443.db2.gz MZCGYLFDTWGGSH-UHFFFAOYSA-N 0 0 449.407 5.250 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000008914266 569485457 /nfs/dbraw/zinc/48/54/57/569485457.db2.gz CGHBFWDEHJRTAV-GHTZIAJQSA-N 0 0 443.286 5.615 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)c5ccc(C)cc5o4)cc3)sc2c1 ZINC000008915370 569485532 /nfs/dbraw/zinc/48/55/32/569485532.db2.gz XKKXQUZUDOVSIY-UHFFFAOYSA-N 0 0 426.497 5.939 50 0 IKAARN O=C(COc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000008915451 569485551 /nfs/dbraw/zinc/48/55/51/569485551.db2.gz AVIZHFHUSDWPGB-SFHVURJKSA-N 0 0 428.743 5.233 50 0 IKAARN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)ccc1Cl ZINC000008915464 569485588 /nfs/dbraw/zinc/48/55/88/569485588.db2.gz FJHCZTNMJDCXST-GOSISDBHSA-N 0 0 442.770 5.542 50 0 IKAARN COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000008915813 569485640 /nfs/dbraw/zinc/48/56/40/569485640.db2.gz MZZMUKFKLALWSD-KRWDZBQOSA-N 0 0 449.913 5.406 50 0 IKAARN C[C@@H]1C[C@@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 ZINC000040070971 569485647 /nfs/dbraw/zinc/48/56/47/569485647.db2.gz KKLFOGLZDYVXNE-VGOFRKELSA-N 0 0 431.020 5.398 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000008916092 569485681 /nfs/dbraw/zinc/48/56/81/569485681.db2.gz BTOSIVZSVRHZKJ-UHFFFAOYSA-N 0 0 432.838 6.800 50 0 IKAARN COP(=O)(OC)c1nc(Cc2cccc3ccccc32)oc1NCc1ccc(F)cc1 ZINC000008917187 569485997 /nfs/dbraw/zinc/48/59/97/569485997.db2.gz VHCHKFWSZSSPLE-UHFFFAOYSA-N 0 0 440.411 5.281 50 0 IKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)c1 ZINC000008917361 569486003 /nfs/dbraw/zinc/48/60/03/569486003.db2.gz ZDIFDMIEULHVRZ-UHFFFAOYSA-N 0 0 435.883 5.584 50 0 IKAARN CCOP(=O)(OCC)C(NC(=O)C(c1ccccc1)c1ccccc1)=C(Cl)Cl ZINC000008917324 569486006 /nfs/dbraw/zinc/48/60/06/569486006.db2.gz CTZIUJBVGBSMRG-UHFFFAOYSA-N 0 0 442.279 5.805 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 ZINC000008917483 569486014 /nfs/dbraw/zinc/48/60/14/569486014.db2.gz KSNWNDWJMDODAG-UHFFFAOYSA-N 0 0 441.940 5.160 50 0 IKAARN COc1ccc(CN(C(=O)CC[C@@]2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000008917830 569486073 /nfs/dbraw/zinc/48/60/73/569486073.db2.gz HFCXICIWIFMKPP-AREMUKBSSA-N 0 0 441.568 5.469 50 0 biogenic IKAARN Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(C)s1 ZINC000040074251 569486215 /nfs/dbraw/zinc/48/62/15/569486215.db2.gz UABATSUXJTVQQW-XIKOKIGWSA-N 0 0 427.397 5.304 50 0 IKAARN O=C1C[C@H](c2cccc3ccccc32)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000008920146 569486463 /nfs/dbraw/zinc/48/64/63/569486463.db2.gz RRSJFYKUOYFWPY-XMMPIXPASA-N 0 0 432.548 7.248 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1cccc2ccccc21 ZINC000008920108 569486469 /nfs/dbraw/zinc/48/64/69/569486469.db2.gz AQVBTIHPSHBNML-UHFFFAOYSA-N 0 0 426.903 5.949 50 0 IKAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 ZINC000008920537 569486545 /nfs/dbraw/zinc/48/65/45/569486545.db2.gz QBQGHHXGEGNZBQ-UHFFFAOYSA-N 0 0 444.531 6.668 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 ZINC000008920831 569486552 /nfs/dbraw/zinc/48/65/52/569486552.db2.gz ZFTYTBXTSCPOKI-BUXKBTBVSA-N 0 0 434.989 6.086 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000008920697 569486560 /nfs/dbraw/zinc/48/65/60/569486560.db2.gz MPHRAQCEROSAFF-UHFFFAOYSA-N 0 0 434.927 5.677 50 0 IKAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040086078 569486644 /nfs/dbraw/zinc/48/66/44/569486644.db2.gz UNTCFCUJSAMAJD-JXFKEZNVSA-N 0 0 431.552 5.016 50 0 IKAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040086079 569486692 /nfs/dbraw/zinc/48/66/92/569486692.db2.gz UNTCFCUJSAMAJD-OXJNMPFZSA-N 0 0 431.552 5.016 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2ccccc2c1 ZINC000008921941 569486854 /nfs/dbraw/zinc/48/68/54/569486854.db2.gz LWPOXOMQBXVZKZ-MHZLTWQESA-N 0 0 441.914 5.501 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1C ZINC000008921978 569486875 /nfs/dbraw/zinc/48/68/75/569486875.db2.gz FXESILDVOBIQGX-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)c(C)c1 ZINC000008922018 569486886 /nfs/dbraw/zinc/48/68/86/569486886.db2.gz CAEJKNUQJRIMKO-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1C ZINC000008921981 569486898 /nfs/dbraw/zinc/48/68/98/569486898.db2.gz FXESILDVOBIQGX-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN Cc1cc(C)c(C)c(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)c1C ZINC000008922081 569486947 /nfs/dbraw/zinc/48/69/47/569486947.db2.gz CRCUDJUAFFNHAX-MHZLTWQESA-N 0 0 447.962 5.581 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000008922948 569486959 /nfs/dbraw/zinc/48/69/59/569486959.db2.gz XUUDNFXLZNZJTA-AWEZNQCLSA-N 0 0 437.956 5.761 50 0 IKAARN Cc1[nH]c2ccccc2c1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 ZINC000008922831 569486966 /nfs/dbraw/zinc/48/69/66/569486966.db2.gz OZVHPABLVUZCED-JOCHJYFZSA-N 0 0 445.613 6.316 50 0 IKAARN C[C@H](C(=O)c1ccccc1)[C@]1(O)c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000008922922 569487016 /nfs/dbraw/zinc/48/70/16/569487016.db2.gz PKJSCMUCXVTILM-MYYSRTQBSA-N 0 0 440.326 5.247 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccs1 ZINC000008923583 569487071 /nfs/dbraw/zinc/48/70/71/569487071.db2.gz XZBMQZXYDJFIBZ-NRFANRHFSA-N 0 0 432.328 5.062 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 ZINC000008923697 569487093 /nfs/dbraw/zinc/48/70/93/569487093.db2.gz HOCPKNVNCJGALB-JOCHJYFZSA-N 0 0 446.355 5.371 50 0 IKAARN CCCCCN1C(=O)N(c2ccc(C)cc2)[C@@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000008926013 569487156 /nfs/dbraw/zinc/48/71/56/569487156.db2.gz VIJRBCGJYRUDPI-QFIPXVFZSA-N 0 0 438.572 5.764 50 0 IKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccc(Br)cc1)C1CCCC1 ZINC000008924272 569487181 /nfs/dbraw/zinc/48/71/81/569487181.db2.gz WIBKOFNQRLQDQR-UHFFFAOYSA-N 0 0 443.410 5.996 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000008924536 569487194 /nfs/dbraw/zinc/48/71/94/569487194.db2.gz QAEIDRSQWZEQBG-GFCCVEGCSA-N 0 0 443.985 5.822 50 0 IKAARN COc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000008925994 569487200 /nfs/dbraw/zinc/48/72/00/569487200.db2.gz UUKTXSKHUSFFPV-DWOOMVRVSA-N 0 0 444.531 5.742 50 0 IKAARN O=C(c1ccccc1)N1[C@@H](c2ccccc2)Oc2c(ccc3cccnc32)[C@@H]1c1ccccc1 ZINC000008926429 569487308 /nfs/dbraw/zinc/48/73/08/569487308.db2.gz MQVOWBJKXKHVER-BHBYDHKZSA-N 0 0 442.518 6.558 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3c(C)c(C)c(C)c(C)c3C)C2=O)cc1 ZINC000008927669 569487318 /nfs/dbraw/zinc/48/73/18/569487318.db2.gz PAOGQPRRKFXITB-LJAQVGFWSA-N 0 0 441.571 5.545 50 0 IKAARN O=c1c2sccc2n2c(=S)sc(-c3ccccc3)c2n1Cc1cccc(Cl)c1 ZINC000008932011 569487614 /nfs/dbraw/zinc/48/76/14/569487614.db2.gz RWFDADNPKZPCEG-UHFFFAOYSA-N 0 0 441.002 6.475 50 0 IKAARN Cc1ccc(C)c(Cn2c3c(-c4ccccc4)sc(=S)n3c3ccsc3c2=O)c1 ZINC000008932006 569487626 /nfs/dbraw/zinc/48/76/26/569487626.db2.gz VWJKUMUHFVFAKL-UHFFFAOYSA-N 0 0 434.611 6.439 50 0 IKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932836 569487662 /nfs/dbraw/zinc/48/76/62/569487662.db2.gz QJJMKKCKGPLFEO-UHFFFAOYSA-N 0 0 440.971 5.582 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])cc1 ZINC000008932825 569487695 /nfs/dbraw/zinc/48/76/95/569487695.db2.gz SZZRHVAZLCRMRA-UHFFFAOYSA-N 0 0 428.985 5.517 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])cc1 ZINC000008932640 569487706 /nfs/dbraw/zinc/48/77/06/569487706.db2.gz GAWAMVQGILURFG-UHFFFAOYSA-N 0 0 443.012 5.559 50 0 IKAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]CCc3ccc(SC)cc3)c(C(=O)[O-])c2C)cc1 ZINC000008932908 569487741 /nfs/dbraw/zinc/48/77/41/569487741.db2.gz DOJUNIJUJQYQAM-UHFFFAOYSA-N 0 0 434.605 5.549 50 0 IKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(Br)cc1F ZINC000008933606 569487798 /nfs/dbraw/zinc/48/77/98/569487798.db2.gz YGQOXKNKHWOCAL-UHFFFAOYSA-N 0 0 439.288 5.125 50 0 IKAARN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)c1ccccc1)CSC(C)(C)C3 ZINC000008934378 569487912 /nfs/dbraw/zinc/48/79/12/569487912.db2.gz YMMDODNJDPYXIY-UHFFFAOYSA-N 0 0 426.563 5.293 50 0 IKAARN CC(C)(C)[C@H]1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3c(-c3cccs3)c2C1 ZINC000008934620 569487946 /nfs/dbraw/zinc/48/79/46/569487946.db2.gz NBXPQBJKZFLUAW-INIZCTEOSA-N 0 0 446.641 6.989 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1cccs1)Cc1cccs1 ZINC000008936346 569488058 /nfs/dbraw/zinc/48/80/58/569488058.db2.gz PLMRPFYLIYIVKH-UHFFFAOYSA-N 0 0 436.606 5.253 50 0 IKAARN Cc1cc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)c(C)n1Cc1ccco1 ZINC000008937006 569488091 /nfs/dbraw/zinc/48/80/91/569488091.db2.gz VVMSOCYEIPZTKC-UHFFFAOYSA-N 0 0 428.488 5.260 50 0 IKAARN C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000008938530 569488207 /nfs/dbraw/zinc/48/82/07/569488207.db2.gz BWIHTGCPHWOMQD-MRVPVSSYSA-N 0 0 429.712 5.441 50 0 IKAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)Nc1ccnn1C1CCCC1 ZINC000008942603 569488715 /nfs/dbraw/zinc/48/87/15/569488715.db2.gz QOKAJPLZUHNQOE-UHFFFAOYSA-N 0 0 435.578 5.401 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000008943414 569488816 /nfs/dbraw/zinc/48/88/16/569488816.db2.gz BFTHXTYAKONWHP-UHFFFAOYSA-N 0 0 438.575 5.150 50 0 IKAARN CCOc1ccc(-c2nnc(SCc3csc(-c4cccc(OC)c4)n3)o2)cc1 ZINC000008943291 569488823 /nfs/dbraw/zinc/48/88/23/569488823.db2.gz XKLXURLDIPZSCA-UHFFFAOYSA-N 0 0 425.535 5.560 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000040119055 569489350 /nfs/dbraw/zinc/48/93/50/569489350.db2.gz OFMQBUOPIWTJOF-QGZVFWFLSA-N 0 0 426.925 5.216 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 ZINC000040119378 569489379 /nfs/dbraw/zinc/48/93/79/569489379.db2.gz YWQNFECAKVFZMO-DEOSSOPVSA-N 0 0 441.487 5.200 50 0 IKAARN O=C(COc1ccc2oc3ccccc3c2c1)Nc1ccccc1NC(=O)N1CCCC1 ZINC000040119377 569489385 /nfs/dbraw/zinc/48/93/85/569489385.db2.gz OEUSWZLGTVRSEQ-UHFFFAOYSA-N 0 0 429.476 5.231 50 0 IKAARN Cc1sc(=O)n(CC(=O)OC2c3ccccc3-c3ccccc32)c1-c1ccc(F)cc1 ZINC000040129197 569489788 /nfs/dbraw/zinc/48/97/88/569489788.db2.gz SZTOYERJTBTSAD-UHFFFAOYSA-N 0 0 431.488 5.338 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c32)C1 ZINC000008951303 569489872 /nfs/dbraw/zinc/48/98/72/569489872.db2.gz DEMPSQHHCGMRJY-CYBMUJFWSA-N 0 0 446.041 6.053 50 0 IKAARN C[C@@H]1CCc2c(sc3nc(-c4ccc(OCc5ccc(Cl)cc5)cc4)[nH]c(=O)c23)C1 ZINC000008952035 569489923 /nfs/dbraw/zinc/48/99/23/569489923.db2.gz KNGRNGMYTNAHKD-CQSZACIVSA-N 0 0 436.964 6.009 50 0 IKAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000008951835 569489931 /nfs/dbraw/zinc/48/99/31/569489931.db2.gz VCYUUMSBNMKEEC-SRZZPIQSSA-N 0 0 425.818 5.542 50 0 IKAARN CC(C)CN1c2ccc(NC(=O)c3ccc(Br)cc3)cc2OCC(C)(C)C1=O ZINC000008959078 569490282 /nfs/dbraw/zinc/49/02/82/569490282.db2.gz LQKPPGUARHBKCY-UHFFFAOYSA-N 0 0 445.357 5.109 50 0 IKAARN CC(C)CN1c2ccc(NC(=O)c3ccccc3Br)cc2OCC(C)(C)C1=O ZINC000008959090 569490305 /nfs/dbraw/zinc/49/03/05/569490305.db2.gz FQLVKGANUAWTJO-UHFFFAOYSA-N 0 0 445.357 5.109 50 0 IKAARN CC(C)CN1c2cc(NC(=O)c3ccc(Br)cc3)ccc2OCC(C)(C)C1=O ZINC000008959787 569490332 /nfs/dbraw/zinc/49/03/32/569490332.db2.gz MQDVEPGNBWVZJI-UHFFFAOYSA-N 0 0 445.357 5.109 50 0 IKAARN CC(C)CCN1c2cc(NC(=O)c3ccc(Br)o3)ccc2OCC(C)(C)C1=O ZINC000008959969 569490335 /nfs/dbraw/zinc/49/03/35/569490335.db2.gz ZCAMDAFBSHMTRJ-UHFFFAOYSA-N 0 0 449.345 5.092 50 0 IKAARN CC(C)CN1c2cc(NC(=O)c3ccccc3Br)ccc2OCC(C)(C)C1=O ZINC000008959797 569490370 /nfs/dbraw/zinc/49/03/70/569490370.db2.gz KGCQNIUOQJGRME-UHFFFAOYSA-N 0 0 445.357 5.109 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(Oc4cnccn4)c3)c12 ZINC000040133593 569490434 /nfs/dbraw/zinc/49/04/34/569490434.db2.gz FDHKOPSETJBILI-UHFFFAOYSA-N 0 0 442.523 5.207 50 0 IKAARN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(COc2ccccc2F)o1 ZINC000040133880 569490451 /nfs/dbraw/zinc/49/04/51/569490451.db2.gz NIOPVNPAWMFEKX-UHFFFAOYSA-N 0 0 428.847 5.030 50 0 IKAARN Cc1cc(Br)cc(Cl)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000040134648 569490572 /nfs/dbraw/zinc/49/05/72/569490572.db2.gz MTZZWGIYQOZTOL-UHFFFAOYSA-N 0 0 438.680 5.974 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)cc1F ZINC000040135349 569490680 /nfs/dbraw/zinc/49/06/80/569490680.db2.gz TZRWOOHDYMWNHF-ZIAGYGMSSA-N 0 0 435.902 5.072 50 0 IKAARN CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000040139325 569490822 /nfs/dbraw/zinc/49/08/22/569490822.db2.gz IEXZYJMPPPXKKR-WIYYLYMNSA-N 0 0 442.987 5.116 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc2C1=O ZINC000008961159 569491013 /nfs/dbraw/zinc/49/10/13/569491013.db2.gz RFEFBICKYDBZLV-UHFFFAOYSA-N 0 0 442.924 5.222 50 0 IKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc1O2 ZINC000008961497 569491103 /nfs/dbraw/zinc/49/11/03/569491103.db2.gz YVAVCJQIISSZRN-UHFFFAOYSA-N 0 0 436.533 5.302 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965282 569491380 /nfs/dbraw/zinc/49/13/80/569491380.db2.gz XUBKKXHRGPSTPP-HSZRJFAPSA-N 0 0 428.536 5.011 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965283 569491407 /nfs/dbraw/zinc/49/14/07/569491407.db2.gz CKUWFHMPEJPIPW-QHCPKHFHSA-N 0 0 428.536 5.011 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)nc1 ZINC000008965432 569491414 /nfs/dbraw/zinc/49/14/14/569491414.db2.gz CHOLVZJHQSFUDN-UHFFFAOYSA-N 0 0 434.468 5.582 50 0 IKAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC(Cc2ccccc2)CC1 ZINC000008965592 569491497 /nfs/dbraw/zinc/49/14/97/569491497.db2.gz KIHASBHEQHVPIS-UHFFFAOYSA-N 0 0 436.559 5.088 50 0 IKAARN Cc1ccccc1-c1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000008965861 569491533 /nfs/dbraw/zinc/49/15/33/569491533.db2.gz WBTVJWDNTWZFLQ-SFHVURJKSA-N 0 0 441.940 5.012 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008965880 569491562 /nfs/dbraw/zinc/49/15/62/569491562.db2.gz DSXQFSJBKWQPTM-UHFFFAOYSA-N 0 0 429.951 5.721 50 0 IKAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ccccc3c2)c1 ZINC000008966103 569491682 /nfs/dbraw/zinc/49/16/82/569491682.db2.gz DPPBDWQBQSKWQG-UHFFFAOYSA-N 0 0 442.540 5.832 50 0 IKAARN Cc1ccc(Nc2nc(CSc3nnc(COc4ccc(Cl)cc4)o3)cs2)cc1 ZINC000008966228 569491701 /nfs/dbraw/zinc/49/17/01/569491701.db2.gz PIMFJVUCKUGNAK-UHFFFAOYSA-N 0 0 444.969 6.103 50 0 IKAARN COc1ccccc1-c1nc(CSc2nnc(-c3cccs3)n2C2CC2)cs1 ZINC000008966279 569491704 /nfs/dbraw/zinc/49/17/04/569491704.db2.gz ZDBZIJPUJMEWLG-UHFFFAOYSA-N 0 0 426.592 5.766 50 0 IKAARN C[C@H](Oc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1)c1ccccc1 ZINC000040143315 569491906 /nfs/dbraw/zinc/49/19/06/569491906.db2.gz HBNGNEQSSKYACU-SFHVURJKSA-N 0 0 427.504 5.383 50 0 IKAARN Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5ncccc5C)CC4)c23)cc1 ZINC000040149377 569492478 /nfs/dbraw/zinc/49/24/78/569492478.db2.gz UNZIYPBVZZYLKK-UHFFFAOYSA-N 0 0 443.576 5.225 50 0 IKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)cc1 ZINC000008973457 569492798 /nfs/dbraw/zinc/49/27/98/569492798.db2.gz ZLFMFJYWFCOBGM-UHFFFAOYSA-N 0 0 441.314 6.344 50 0 IKAARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)c2ccccc2C)c1-c1nc2ccccc2[nH]1 ZINC000008973183 569492830 /nfs/dbraw/zinc/49/28/30/569492830.db2.gz VIRVWGRWVAGDNA-IBGZPJMESA-N 0 0 428.536 5.388 50 0 IKAARN Cc1cc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)ccc1Cl ZINC000008974158 569492887 /nfs/dbraw/zinc/49/28/87/569492887.db2.gz BVYOFFLDFIIEIV-UHFFFAOYSA-N 0 0 439.920 5.868 50 0 IKAARN COCc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc2c1OCOC2 ZINC000040151748 569493348 /nfs/dbraw/zinc/49/33/48/569493348.db2.gz HUEDPEQLDSUNSE-UHFFFAOYSA-N 0 0 430.913 5.037 50 0 IKAARN O=C(Nc1cccc(-c2nc(C3CC3)no2)c1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000040153015 569493582 /nfs/dbraw/zinc/49/35/82/569493582.db2.gz JQBZXRDDOSLZJM-UHFFFAOYSA-N 0 0 430.508 5.385 50 0 IKAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1nc2ccccc2nc1Cl ZINC000040155125 569493889 /nfs/dbraw/zinc/49/38/89/569493889.db2.gz LPCSLZRNYIFINF-UHFFFAOYSA-N 0 0 448.857 5.607 50 0 IKAARN COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc3sc(N(C)C)nc3s2)cn1 ZINC000040155170 569493917 /nfs/dbraw/zinc/49/39/17/569493917.db2.gz KWQDVNNZPDQHPQ-UHFFFAOYSA-N 0 0 440.550 5.180 50 0 IKAARN Cn1c(COc2ccccc2Cl)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S ZINC000040155476 569493938 /nfs/dbraw/zinc/49/39/38/569493938.db2.gz IBYOHLIBKLQKDG-HXUWFJFHSA-N 0 0 441.000 5.293 50 0 IKAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000040157330 569494303 /nfs/dbraw/zinc/49/43/03/569494303.db2.gz QWGABZCEQCAYRX-OAQYLSRUSA-N 0 0 448.371 5.111 50 0 IKAARN COc1ccc(-c2noc(CCCC(=O)N(c3ccccc3)[C@@H](C)c3ccccc3)n2)cc1 ZINC000040157896 569494367 /nfs/dbraw/zinc/49/43/67/569494367.db2.gz QWPKXKRVGIQKCN-FQEVSTJZSA-N 0 0 441.531 5.862 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000040159388 569494699 /nfs/dbraw/zinc/49/46/99/569494699.db2.gz ZARHNPVQMHBSDB-UHFFFAOYSA-N 0 0 426.545 5.309 50 0 IKAARN Cc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(SC(F)F)cc4s3)CC2=O)c1C ZINC000040159432 569494710 /nfs/dbraw/zinc/49/47/10/569494710.db2.gz DYUTWPTZSGSFBD-CYBMUJFWSA-N 0 0 447.532 5.219 50 0 IKAARN COc1ccc(-c2csc3nc(C)nc(Oc4ccc(NC(C)=O)cc4)c23)cc1OC ZINC000008985410 569494747 /nfs/dbraw/zinc/49/47/47/569494747.db2.gz DIVKXYRLNONOMG-UHFFFAOYSA-N 0 0 435.505 5.435 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccc(OCc2ccccc2)cc1 ZINC000008984365 569494775 /nfs/dbraw/zinc/49/47/75/569494775.db2.gz BKNWBZBEQTWBCM-RBTNQOKQSA-N 0 0 434.539 6.593 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccc(OCc2ccccc2)cc1 ZINC000008986060 569494799 /nfs/dbraw/zinc/49/47/99/569494799.db2.gz BKNWBZBEQTWBCM-KMRXNPHXSA-N 0 0 434.539 6.593 50 0 IKAARN CSc1cccc(N2C[C@H](C(=O)Nc3nc4c(ccc5ccccc45)s3)CC2=O)c1 ZINC000040160001 569495054 /nfs/dbraw/zinc/49/50/54/569495054.db2.gz RBLJQWDLOCCKPO-OAHLLOKOSA-N 0 0 433.558 5.163 50 0 IKAARN Cc1noc(C)c1C(=O)NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000040160259 569495095 /nfs/dbraw/zinc/49/50/95/569495095.db2.gz NWMCLTPPTKQCHR-HSZRJFAPSA-N 0 0 435.527 6.002 50 0 IKAARN CC1=C(CC(=O)Nc2cc(C)ccn2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000008990911 569495182 /nfs/dbraw/zinc/49/51/82/569495182.db2.gz LYEMRIALSVIZSG-XSLJVDACSA-N 0 0 446.547 5.623 50 0 IKAARN Cc1oc2cc(OCC(=O)NCc3cccs3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000008991523 569495315 /nfs/dbraw/zinc/49/53/15/569495315.db2.gz KOTFLMOTICGPLN-UHFFFAOYSA-N 0 0 439.920 5.179 50 0 IKAARN CC1=C(CC(=O)Nc2cccc(C)n2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000008993186 569495438 /nfs/dbraw/zinc/49/54/38/569495438.db2.gz IXYXYDLZMWZSMC-WNGLBVNJSA-N 0 0 446.547 5.623 50 0 IKAARN CCCCCCc1cc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc2cc1O ZINC000008994031 569495507 /nfs/dbraw/zinc/49/55/07/569495507.db2.gz DMCVYGRRQVUFJJ-UHFFFAOYSA-N 0 0 435.549 6.192 50 0 biogenic IKAARN O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3cccc(O)c3)nc2-c2ccccc2)cc1 ZINC000008997012 569495838 /nfs/dbraw/zinc/49/58/38/569495838.db2.gz XCRQMDDNFLRJGP-UHFFFAOYSA-N 0 0 434.470 6.486 50 0 IKAARN CCCCCOC(=O)CSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000009008835 569496322 /nfs/dbraw/zinc/49/63/22/569496322.db2.gz VGMDLLRVCLMZOU-UHFFFAOYSA-N 0 0 443.638 5.896 50 0 IKAARN COc1ccc(-c2nn3c(nc(C)cc3N3CCN(c4ccc(Cl)cc4)CC3)c2C)cc1 ZINC000040216863 569496516 /nfs/dbraw/zinc/49/65/16/569496516.db2.gz KGTQGLRTWWBTCB-UHFFFAOYSA-N 0 0 447.970 5.002 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000009012845 569496556 /nfs/dbraw/zinc/49/65/56/569496556.db2.gz WZFMQTNJAZPLHO-UHFFFAOYSA-N 0 0 443.959 6.715 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000009019214 569496872 /nfs/dbraw/zinc/49/68/72/569496872.db2.gz QIJPIGVTXWBMSY-UHFFFAOYSA-N 0 0 432.907 5.427 50 0 IKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009027636 569497036 /nfs/dbraw/zinc/49/70/36/569497036.db2.gz CJWXHOGEJVVBBI-UHFFFAOYSA-N 0 0 430.415 6.317 50 0 IKAARN O=C(c1ccc(Br)o1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000009031575 569497077 /nfs/dbraw/zinc/49/70/77/569497077.db2.gz PIEHSBZWIZKMAE-UHFFFAOYSA-N 0 0 430.302 5.067 50 0 IKAARN O=C(c1ccc2c(c1)OCO2)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000009031577 569497121 /nfs/dbraw/zinc/49/71/21/569497121.db2.gz VTUFWRQVHPDBCJ-UHFFFAOYSA-N 0 0 439.899 5.094 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=S)c(C)c1 ZINC000009033797 569497168 /nfs/dbraw/zinc/49/71/68/569497168.db2.gz NEPOQNDEHSXVGG-ZCYQVOJMSA-N 0 0 437.568 5.433 50 0 biogenic IKAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000009037005 569497325 /nfs/dbraw/zinc/49/73/25/569497325.db2.gz MLVQGZQMJONCCR-UHFFFAOYSA-N 0 0 430.451 5.218 50 0 IKAARN Cc1ccc(SCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)cc1 ZINC000009041068 569497602 /nfs/dbraw/zinc/49/76/02/569497602.db2.gz VNTXTFJDFDVVRJ-UHFFFAOYSA-N 0 0 448.613 6.010 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000009041141 569497612 /nfs/dbraw/zinc/49/76/12/569497612.db2.gz AEMVLFYCLXAYJK-IGKIAQTJSA-N 0 0 442.559 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000009041136 569497629 /nfs/dbraw/zinc/49/76/29/569497629.db2.gz AEMVLFYCLXAYJK-RPLLCQBOSA-N 0 0 442.559 6.244 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000009042901 569497800 /nfs/dbraw/zinc/49/78/00/569497800.db2.gz IXLFEJRZOYVRRZ-AOYPEHQESA-N 0 0 432.951 6.761 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1cc2sc(=O)oc2c(-c2cccc(C(F)(F)F)c2)c1 ZINC000009043280 569497812 /nfs/dbraw/zinc/49/78/12/569497812.db2.gz WIIXLHIDJQYCGQ-MDZDMXLPSA-N 0 0 442.414 6.159 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)CCC3CCCC3)ccc2oc1-c1ccc(OC)cc1 ZINC000009044042 569498009 /nfs/dbraw/zinc/49/80/09/569498009.db2.gz BLOHRKDKRBBCNI-UHFFFAOYSA-N 0 0 436.504 6.161 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3F)C2)cc1OC ZINC000009044709 569498022 /nfs/dbraw/zinc/49/80/22/569498022.db2.gz WCAQBBZZXCBAQZ-OAQYLSRUSA-N 0 0 438.886 5.488 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000009044510 569498025 /nfs/dbraw/zinc/49/80/25/569498025.db2.gz LTTSOKCDENKPEV-GOSISDBHSA-N 0 0 444.354 5.187 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000009045670 569498108 /nfs/dbraw/zinc/49/81/08/569498108.db2.gz WKXNRLSTYJVJPW-UHFFFAOYSA-N 0 0 432.593 5.869 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)n1c2ccccc2nc1SCc1ccc(F)cc1 ZINC000009046688 569498384 /nfs/dbraw/zinc/49/83/84/569498384.db2.gz HBWKGXZPMGOLME-DNVCBOLYSA-N 0 0 449.378 6.699 50 0 IKAARN CC(C)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040309852 569498684 /nfs/dbraw/zinc/49/86/84/569498684.db2.gz ZLYQIMSFKCNNRR-QUKDRKDGSA-N 0 0 447.704 5.166 50 0 biogenic IKAARN COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000009051439 569498715 /nfs/dbraw/zinc/49/87/15/569498715.db2.gz DXEHGBAVTOZIIN-UHFFFAOYSA-N 0 0 436.581 5.114 50 0 IKAARN CCc1ccc(-c2nc(S[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)n[nH]2)cc1 ZINC000009053323 569498776 /nfs/dbraw/zinc/49/87/76/569498776.db2.gz APQGXFOWTKEUNJ-QFIPXVFZSA-N 0 0 444.560 5.515 50 0 IKAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000009056232 569498986 /nfs/dbraw/zinc/49/89/86/569498986.db2.gz PACIZCCLIJTIEQ-UHFFFAOYSA-N 0 0 435.907 5.237 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(C)s1 ZINC000009056315 569499014 /nfs/dbraw/zinc/49/90/14/569499014.db2.gz VRWFHDLMBQGSKT-UHFFFAOYSA-N 0 0 433.986 5.499 50 0 IKAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C ZINC000009056361 569499058 /nfs/dbraw/zinc/49/90/58/569499058.db2.gz OYNSRXLWKZWCDD-FDDCHVKYSA-N 0 0 448.636 5.191 50 0 IKAARN c1ccc(CCNc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)cc1 ZINC000009057589 569499131 /nfs/dbraw/zinc/49/91/31/569499131.db2.gz AVSCFGDNSRLKCA-UHFFFAOYSA-N 0 0 436.584 6.440 50 0 IKAARN COc1ccc(Oc2cncnc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 ZINC000009058967 569499256 /nfs/dbraw/zinc/49/92/56/569499256.db2.gz CQHKEUBTASIISR-UHFFFAOYSA-N 0 0 434.879 5.883 50 0 IKAARN OCCCCn1c(-c2ccc(Cl)cc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000009059594 569499366 /nfs/dbraw/zinc/49/93/66/569499366.db2.gz BGQNSTIUSJIVKA-UHFFFAOYSA-N 0 0 441.962 6.563 50 0 IKAARN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000009060094 569499407 /nfs/dbraw/zinc/49/94/07/569499407.db2.gz YLRIKWXKMMQVGQ-UHFFFAOYSA-N 0 0 442.950 5.121 50 0 IKAARN COc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)CC(C)C)cc1 ZINC000009060320 569499408 /nfs/dbraw/zinc/49/94/08/569499408.db2.gz RGDSOZVRUWENBB-UHFFFAOYSA-N 0 0 430.552 5.690 50 0 IKAARN CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(C)cc1 ZINC000009060432 569499411 /nfs/dbraw/zinc/49/94/11/569499411.db2.gz PWHNJMDADBDKSJ-UHFFFAOYSA-N 0 0 430.552 5.636 50 0 IKAARN Cc1c(C)n(CCCOC(C)C)c(NC(=O)c2ccccc2F)c1-c1nc2ccccc2[nH]1 ZINC000009060420 569499413 /nfs/dbraw/zinc/49/94/13/569499413.db2.gz NFGFWIZTBOCNEE-UHFFFAOYSA-N 0 0 448.542 5.855 50 0 IKAARN O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000009065636 569499691 /nfs/dbraw/zinc/49/96/91/569499691.db2.gz ZALSZJVTNHTGEC-UHFFFAOYSA-N 0 0 445.784 6.435 50 0 IKAARN Cc1cc(Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000009065120 569499701 /nfs/dbraw/zinc/49/97/01/569499701.db2.gz SNDGOFMNEDRNJA-UHFFFAOYSA-N 0 0 426.911 6.265 50 0 IKAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000009066027 569499840 /nfs/dbraw/zinc/49/98/40/569499840.db2.gz ZTXVXQYFQRBAAP-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN c1ccc(CCSc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)cc1 ZINC000009069887 569500059 /nfs/dbraw/zinc/50/00/59/569500059.db2.gz SBWDLGPGODPUQU-UHFFFAOYSA-N 0 0 439.609 6.730 50 0 IKAARN C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000069303637 569500187 /nfs/dbraw/zinc/50/01/87/569500187.db2.gz IJFYZAMCEYQWHH-SNVBAGLBSA-N 0 0 437.892 5.094 50 0 IKAARN CCOC(=O)c1ccc(Nc2nc3nccnc3c(Nc3ccc(Cl)cc3C)n2)cc1 ZINC000009075091 569500190 /nfs/dbraw/zinc/50/01/90/569500190.db2.gz SOGZGXNHOIRJBK-UHFFFAOYSA-N 0 0 434.887 5.046 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3cc(C)ccc3C)cc2c1 ZINC000009075983 569500228 /nfs/dbraw/zinc/50/02/28/569500228.db2.gz HCJAYTWSQYVSRY-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)c1 ZINC000009075968 569500236 /nfs/dbraw/zinc/50/02/36/569500236.db2.gz NONUFRCSVJBAFF-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1C ZINC000009075812 569500257 /nfs/dbraw/zinc/50/02/57/569500257.db2.gz LHFNZEMWJCFGND-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000009076147 569500281 /nfs/dbraw/zinc/50/02/81/569500281.db2.gz CFMVIHQNNKGHAW-HSZRJFAPSA-N 0 0 449.576 5.448 50 0 IKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000009076504 569500296 /nfs/dbraw/zinc/50/02/96/569500296.db2.gz AIABABASIDSBTJ-JOCHJYFZSA-N 0 0 430.305 5.589 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000009076207 569500300 /nfs/dbraw/zinc/50/03/00/569500300.db2.gz QDIIWHWKYDTZPI-REWPJTCUSA-N 0 0 437.337 6.408 50 0 IKAARN Cc1ccccc1-n1c(=O)c2cc(Br)ccc2nc1/C=C/c1ccc(O)cc1 ZINC000009076045 569500328 /nfs/dbraw/zinc/50/03/28/569500328.db2.gz FNYGSUFMVJKDKM-MDWZMJQESA-N 0 0 433.305 5.333 50 0 IKAARN O=c1c(-c2ccccc2)c(-c2ccccc2)oc(=NC2CCCCC2)n1C1CCCCC1 ZINC000245240281 569500644 /nfs/dbraw/zinc/50/06/44/569500644.db2.gz PNKSGAGUBYDKSH-UHFFFAOYSA-N 0 0 428.576 6.514 50 0 IKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@H](c2ccc(OC(F)F)cc2)N1 ZINC000009086969 569500751 /nfs/dbraw/zinc/50/07/51/569500751.db2.gz CZHNDEWIBYVIKE-NRFANRHFSA-N 0 0 432.430 5.087 50 0 IKAARN O=C(Oc1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000009088296 569500858 /nfs/dbraw/zinc/50/08/58/569500858.db2.gz NUWDULQYONLGGF-SANMLTNESA-N 0 0 446.506 5.897 50 0 IKAARN COc1cccc2c1OC1(CCC(c3ccccc3)CC1)N1N=C(c3cccs3)C[C@@H]21 ZINC000009087874 569500866 /nfs/dbraw/zinc/50/08/66/569500866.db2.gz IONMOTAOZJFGJH-YVLJNVBMSA-N 0 0 430.573 6.354 50 0 IKAARN Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000009090119 569500964 /nfs/dbraw/zinc/50/09/64/569500964.db2.gz VVUQSDDRAHSYKZ-UHFFFAOYSA-N 0 0 439.515 6.604 50 0 IKAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000009095282 569501357 /nfs/dbraw/zinc/50/13/57/569501357.db2.gz FHNJVCKRPZEGQN-UHFFFAOYSA-N 0 0 433.895 5.241 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009100690 569501537 /nfs/dbraw/zinc/50/15/37/569501537.db2.gz WXSOCMRGMRNZLC-UHFFFAOYSA-N 0 0 447.922 5.425 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)[C@H]1C ZINC000245257856 569501576 /nfs/dbraw/zinc/50/15/76/569501576.db2.gz DXQXKCUFSHUQGB-KGVIQGDOSA-N 0 0 433.596 5.553 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)N[C@H]4CCCc5ccccc54)C3)sc2c1 ZINC000245257887 569501609 /nfs/dbraw/zinc/50/16/09/569501609.db2.gz GLMLFHQCUCNPOC-NQIIRXRSSA-N 0 0 435.593 5.105 50 0 IKAARN CCCCn1c2ccccc2n2c(C(=O)C(Cl)(Cl)Cl)c(-c3ccccc3)nc12 ZINC000009109555 569501987 /nfs/dbraw/zinc/50/19/87/569501987.db2.gz ZYUVMQBRNKBYSD-UHFFFAOYSA-N 0 0 434.754 6.309 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@H]1C ZINC000245281430 569502136 /nfs/dbraw/zinc/50/21/36/569502136.db2.gz ZESGQIKKBMNRQL-MOPGFXCFSA-N 0 0 445.007 5.484 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc5cccnc5[nH]4)cc3)sc2c1 ZINC000009110279 569502147 /nfs/dbraw/zinc/50/21/47/569502147.db2.gz XNDODDJKCBISPY-UHFFFAOYSA-N 0 0 431.546 5.274 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009111822 569502346 /nfs/dbraw/zinc/50/23/46/569502346.db2.gz HIHIPDZUSHOVBI-OAHLLOKOSA-N 0 0 447.589 5.388 50 0 IKAARN CC1=C(c2ccccc2)[C@@H]2N3N(CC2(C)C)[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@]13C ZINC000245297663 569502447 /nfs/dbraw/zinc/50/24/47/569502447.db2.gz WGANOYMMECCSOW-SMXDRTIVSA-N 0 0 448.610 6.268 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)CC(C)C)sc2c1CC[C@H](C(C)(C)CC)C2 ZINC000009113069 569502485 /nfs/dbraw/zinc/50/24/85/569502485.db2.gz UTDJRPYAIZCFPS-AWEZNQCLSA-N 0 0 438.659 5.325 50 0 IKAARN Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C)n1-c1cccc(C)c1 ZINC000009113470 569502513 /nfs/dbraw/zinc/50/25/13/569502513.db2.gz RNDUPBNMQQAOFV-UHFFFAOYSA-N 0 0 427.573 6.195 50 0 IKAARN O=C(Nc1ccccc1Br)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000009115643 569502800 /nfs/dbraw/zinc/50/28/00/569502800.db2.gz HQOKMMUGPBNIJI-RUZDIDTESA-N 0 0 438.730 5.256 50 0 IKAARN COc1cccc(CNC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 ZINC000009116020 569502855 /nfs/dbraw/zinc/50/28/55/569502855.db2.gz VLAGMKXQBOQIEC-UHFFFAOYSA-N 0 0 432.951 5.601 50 0 IKAARN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)N[C@@H]1CCCc2ccccc21 ZINC000009116038 569502878 /nfs/dbraw/zinc/50/28/78/569502878.db2.gz WKQGVNQHPMLFFM-AREMUKBSSA-N 0 0 442.990 6.469 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)cc1Cl ZINC000009117169 569503066 /nfs/dbraw/zinc/50/30/66/569503066.db2.gz XFBKKTDUCKLVHJ-UHFFFAOYSA-N 0 0 443.906 5.339 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccc(C)c(C)c5)CC4)sc3n2)cc1 ZINC000009117300 569503090 /nfs/dbraw/zinc/50/30/90/569503090.db2.gz GEHAKBLTWZFUBA-UHFFFAOYSA-N 0 0 445.592 5.238 50 0 IKAARN CCc1ccccc1NC(=O)C1CCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)CC1 ZINC000009117285 569503127 /nfs/dbraw/zinc/50/31/27/569503127.db2.gz GBSKYYFLDQVBTN-UHFFFAOYSA-N 0 0 445.592 5.184 50 0 IKAARN O=C(Cn1cc(SCc2ccc(Br)cc2)c2ccccc21)N1CCCC1 ZINC000009118308 569503284 /nfs/dbraw/zinc/50/32/84/569503284.db2.gz UDHVIZJAXHJAKA-UHFFFAOYSA-N 0 0 429.383 5.319 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 ZINC000009118281 569503272 /nfs/dbraw/zinc/50/32/72/569503272.db2.gz BAYFPYYLUONGPT-UHFFFAOYSA-N 0 0 449.620 5.337 50 0 IKAARN C[C@@H](CC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@H]1C)CC(C)(C)C ZINC000245325553 569503557 /nfs/dbraw/zinc/50/35/57/569503557.db2.gz ATIXIYQZRSLFKZ-DLBZAZTESA-N 0 0 446.542 5.047 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)N(C)C3CCCCC3)n2)cc1 ZINC000009119815 569503637 /nfs/dbraw/zinc/50/36/37/569503637.db2.gz GMFKZRHGWOQBHX-UHFFFAOYSA-N 0 0 449.576 5.476 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000009120348 569503810 /nfs/dbraw/zinc/50/38/10/569503810.db2.gz QSNSILSFFHLKLG-QGZVFWFLSA-N 0 0 432.524 5.043 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c(C)n1C[C@H]1CCCO1 ZINC000009120370 569503841 /nfs/dbraw/zinc/50/38/41/569503841.db2.gz DBCDBHFSLISFBO-GOSISDBHSA-N 0 0 442.610 5.162 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c(C)n1C[C@@H]1CCCO1 ZINC000009120369 569503866 /nfs/dbraw/zinc/50/38/66/569503866.db2.gz DBCDBHFSLISFBO-SFHVURJKSA-N 0 0 442.610 5.162 50 0 IKAARN CSc1cccc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)c1 ZINC000009120546 569503904 /nfs/dbraw/zinc/50/39/04/569503904.db2.gz RAKKGFAJCKJLJY-UHFFFAOYSA-N 0 0 440.783 6.174 50 0 IKAARN CCCCCCC(=O)Nc1ccc(N2CCCC[C@H]2C)c(S(=O)(=O)N[C@H](C)CC)c1 ZINC000245329234 569504023 /nfs/dbraw/zinc/50/40/23/569504023.db2.gz RTFJOLISWVDGQD-RTBURBONSA-N 0 0 437.650 5.051 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245343054 569504330 /nfs/dbraw/zinc/50/43/30/569504330.db2.gz CZRYRMISVAOEBW-KHCICDEESA-N 0 0 434.580 5.619 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000245343018 569504375 /nfs/dbraw/zinc/50/43/75/569504375.db2.gz BVXGXFUNTVZWCJ-DHLKQENFSA-N 0 0 432.545 5.668 50 0 IKAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(Cc2cccnc2)C3=O)c1 ZINC000009124718 569504434 /nfs/dbraw/zinc/50/44/34/569504434.db2.gz LCRPGYWIIZSDOE-HSZRJFAPSA-N 0 0 444.922 5.193 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C ZINC000245343153 569504448 /nfs/dbraw/zinc/50/44/48/569504448.db2.gz GYHADYZNGBHRSR-DRSNIGMVSA-N 0 0 428.548 5.110 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C ZINC000245343154 569504451 /nfs/dbraw/zinc/50/44/51/569504451.db2.gz GYHADYZNGBHRSR-GSHUGGBRSA-N 0 0 428.548 5.110 50 0 IKAARN Fc1c(F)c(F)c(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(F)c1F ZINC000009124924 569504472 /nfs/dbraw/zinc/50/44/72/569504472.db2.gz ASDHBAJJTOLHKR-QMMMGPOBSA-N 0 0 433.427 5.032 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)c1 ZINC000009125892 569504759 /nfs/dbraw/zinc/50/47/59/569504759.db2.gz CZOLQTCRRNJBLK-QFIPXVFZSA-N 0 0 448.617 5.556 50 0 IKAARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1ccc(Cl)cc1Cl 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O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CC=C(c2ccccc2)CC1 ZINC000009152967 569507907 /nfs/dbraw/zinc/50/79/07/569507907.db2.gz DBGMEHJGVYBWGX-UHFFFAOYSA-N 0 0 431.967 5.859 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 ZINC000009152935 569507934 /nfs/dbraw/zinc/50/79/34/569507934.db2.gz XEZXFFITFDAWHX-UHFFFAOYSA-N 0 0 437.927 5.359 50 0 IKAARN CCCN(C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccc(F)cc1 ZINC000009153038 569507990 /nfs/dbraw/zinc/50/79/90/569507990.db2.gz FEBUJMMZBXOICA-UHFFFAOYSA-N 0 0 425.935 6.126 50 0 IKAARN COc1ccc(N(C)C(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c(OC)c1 ZINC000009153037 569508020 /nfs/dbraw/zinc/50/80/20/569508020.db2.gz GWHDNIDLFCPCIQ-UHFFFAOYSA-N 0 0 439.943 5.224 50 0 IKAARN CCOc1ccccc1N(CC)C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152968 569508026 /nfs/dbraw/zinc/50/80/26/569508026.db2.gz VHSIVBAXVXGDQH-UHFFFAOYSA-N 0 0 437.971 5.995 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnc(-c2cccs2)o1 ZINC000009154269 569508169 /nfs/dbraw/zinc/50/81/69/569508169.db2.gz VTSZEXUTAQXJAR-UHFFFAOYSA-N 0 0 437.933 6.111 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C ZINC000009154390 569508198 /nfs/dbraw/zinc/50/81/98/569508198.db2.gz WTERGUJZEOUSIB-CYBMUJFWSA-N 0 0 430.913 5.039 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009158370 569508448 /nfs/dbraw/zinc/50/84/48/569508448.db2.gz DDFFIXYMEKCZKS-OAQYLSRUSA-N 0 0 446.470 5.164 50 0 IKAARN Cc1cn(Cc2ccc(Cl)cc2Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1=O ZINC000009158415 569508506 /nfs/dbraw/zinc/50/85/06/569508506.db2.gz IAVZDINKWHEDKV-UHFFFAOYSA-N 0 0 444.145 5.029 50 0 IKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1OC ZINC000009158561 569508522 /nfs/dbraw/zinc/50/85/22/569508522.db2.gz NXEWVZSLLCXLNQ-UHFFFAOYSA-N 0 0 436.895 5.699 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009158371 569508535 /nfs/dbraw/zinc/50/85/35/569508535.db2.gz DDFFIXYMEKCZKS-NRFANRHFSA-N 0 0 446.470 5.164 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1Br ZINC000009158904 569508543 /nfs/dbraw/zinc/50/85/43/569508543.db2.gz FVAQXQHMGOSKMN-LAUBAEHRSA-N 0 0 441.350 5.762 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1Cl ZINC000009158443 569508549 /nfs/dbraw/zinc/50/85/49/569508549.db2.gz YHLOHODZHWFWOD-CVDCTZTESA-N 0 0 439.298 5.964 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000009159310 569508569 /nfs/dbraw/zinc/50/85/69/569508569.db2.gz QAIRBFFTJUHUND-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009159461 569508599 /nfs/dbraw/zinc/50/85/99/569508599.db2.gz QMZHDPXNJNNBLS-DEOSSOPVSA-N 0 0 443.474 5.037 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Br)c2)c1 ZINC000009159536 569508604 /nfs/dbraw/zinc/50/86/04/569508604.db2.gz KVZUUEYMXDWVHI-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000009159853 569508652 /nfs/dbraw/zinc/50/86/52/569508652.db2.gz ULWKOTUAEAWQNZ-RUZDIDTESA-N 0 0 438.527 5.986 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3NCc3ccccn3)c2c2c1CCC2 ZINC000009161348 569508708 /nfs/dbraw/zinc/50/87/08/569508708.db2.gz UQWXWPXPPZBQRF-UHFFFAOYSA-N 0 0 435.622 5.800 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)c1 ZINC000009161437 569508730 /nfs/dbraw/zinc/50/87/30/569508730.db2.gz XTQWSXCIWVOMRG-FQEVSTJZSA-N 0 0 437.282 5.553 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3NCc3cccnc3)c2c2c1CCC2 ZINC000009161037 569508738 /nfs/dbraw/zinc/50/87/38/569508738.db2.gz IOEIQHOZLAGGHC-UHFFFAOYSA-N 0 0 435.622 5.800 50 0 IKAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@@H](C)CC3 ZINC000009165160 569508817 /nfs/dbraw/zinc/50/88/17/569508817.db2.gz WWCGVLXDYYIAGW-LBPRGKRZSA-N 0 0 445.013 5.375 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Sc1nc(C)nc2ccccc21)c1ccccc1 ZINC000009165968 569508823 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/nfs/dbraw/zinc/51/19/35/569511935.db2.gz YHPGZCNUKUYYLH-UHFFFAOYSA-N 0 0 432.520 6.642 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)o1 ZINC000009211963 569511938 /nfs/dbraw/zinc/51/19/38/569511938.db2.gz BNPOQIYLOPXOSG-UHFFFAOYSA-N 0 0 432.545 6.082 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)nc1CSc1ccccc1 ZINC000009211975 569511951 /nfs/dbraw/zinc/51/19/51/569511951.db2.gz IGXYBVVKSPEUDT-UHFFFAOYSA-N 0 0 448.975 7.156 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2)nc1CSc1ccccc1 ZINC000009211979 569511954 /nfs/dbraw/zinc/51/19/54/569511954.db2.gz VPOSNKMKYUHLMM-UHFFFAOYSA-N 0 0 448.975 7.156 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211899 569511955 /nfs/dbraw/zinc/51/19/55/569511955.db2.gz OHSYOBMOEFYBCA-UHFFFAOYSA-N 0 0 448.975 7.156 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000009211996 569511960 /nfs/dbraw/zinc/51/19/60/569511960.db2.gz HAGNLBZAXNFKIV-UHFFFAOYSA-N 0 0 444.556 6.512 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)nc1CSc1ccc(C)cc1 ZINC000009211906 569511961 /nfs/dbraw/zinc/51/19/61/569511961.db2.gz ATMKJKRRKBJTLX-UHFFFAOYSA-N 0 0 442.584 7.120 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)nc1CSc1ccccc1 ZINC000009211969 569511962 /nfs/dbraw/zinc/51/19/62/569511962.db2.gz QSZPJOXRXFHNPV-UHFFFAOYSA-N 0 0 448.975 7.156 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O ZINC000009215574 569511975 /nfs/dbraw/zinc/51/19/75/569511975.db2.gz PXFLGXXWXAKJPJ-QFIPXVFZSA-N 0 0 439.939 5.424 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000009212033 569511982 /nfs/dbraw/zinc/51/19/82/569511982.db2.gz OHYIDVXMFAACDD-ZUQCGGBESA-N 0 0 444.556 5.449 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000009212035 569512002 /nfs/dbraw/zinc/51/20/02/569512002.db2.gz RVDFUFJERPZRAR-JGCGQSQUSA-N 0 0 444.556 5.196 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(C[C@H]1CCCO1)C3=O ZINC000009215662 569512008 /nfs/dbraw/zinc/51/20/08/569512008.db2.gz BXSSWESYNWFMBY-JLTOFOAXSA-N 0 0 444.314 5.132 50 0 IKAARN COc1cc2[nH]c(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c(OC)c1OC ZINC000009215863 569512042 /nfs/dbraw/zinc/51/20/42/569512042.db2.gz NJZMWBAILJLACX-UHFFFAOYSA-N 0 0 430.504 5.036 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2ccccc2F)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000009215979 569512071 /nfs/dbraw/zinc/51/20/71/569512071.db2.gz MPCRQFNTUNMTST-UHFFFAOYSA-N 0 0 428.507 5.894 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000009216103 569512082 /nfs/dbraw/zinc/51/20/82/569512082.db2.gz KVVZAZNLGCCLMD-UHFFFAOYSA-N 0 0 431.460 6.261 50 0 IKAARN COc1ccc([C@@H](NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2)cc1 ZINC000009216621 569512128 /nfs/dbraw/zinc/51/21/28/569512128.db2.gz HOWCJOXRGAOWTP-DEOSSOPVSA-N 0 0 426.472 5.060 50 0 IKAARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1cccs1 ZINC000009216215 569512146 /nfs/dbraw/zinc/51/21/46/569512146.db2.gz GILFHRNVGRTJFT-UHFFFAOYSA-N 0 0 426.291 5.536 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1OC ZINC000009216446 569512155 /nfs/dbraw/zinc/51/21/55/569512155.db2.gz HTAPSKIIIZCKDT-VGOFRKELSA-N 0 0 426.925 5.661 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)c3cccc(OCc4c(C)noc4C)c3)ccc2c1 ZINC000009216901 569512228 /nfs/dbraw/zinc/51/22/28/569512228.db2.gz YAOSDRNCBFGMMF-UHFFFAOYSA-N 0 0 430.504 5.304 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NCc1ccco1 ZINC000009217955 569512337 /nfs/dbraw/zinc/51/23/37/569512337.db2.gz QGFDOJBTPSDHML-CQSZACIVSA-N 0 0 430.961 5.104 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3cc(C)ccc3C)s2)cc1 ZINC000009218996 569512445 /nfs/dbraw/zinc/51/24/45/569512445.db2.gz MJIBJIPZGXQPJF-UHFFFAOYSA-N 0 0 431.608 5.187 50 0 IKAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000009220471 569512535 /nfs/dbraw/zinc/51/25/35/569512535.db2.gz DDBYLYMQHVQVAK-UHFFFAOYSA-N 0 0 432.527 5.798 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CSc1ccccc1C)CC2 ZINC000009223418 569512955 /nfs/dbraw/zinc/51/29/55/569512955.db2.gz QRJCDGVYYCVIOU-XMMPIXPASA-N 0 0 439.602 5.340 50 0 IKAARN CCC(=O)c1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000009223424 569512956 /nfs/dbraw/zinc/51/29/56/569512956.db2.gz IPWQBAAOVDYDFT-HSZRJFAPSA-N 0 0 426.516 5.088 50 0 IKAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009223817 569513016 /nfs/dbraw/zinc/51/30/16/569513016.db2.gz TYDKXJCLCHHFPJ-UHFFFAOYSA-N 0 0 432.570 5.609 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](OC(=O)c1ccccn1)c1ccccc1 ZINC000009223885 569513044 /nfs/dbraw/zinc/51/30/44/569513044.db2.gz UIOMUJSLWDMPMS-SFHVURJKSA-N 0 0 434.801 5.291 50 0 IKAARN CCCCn1nc(C)c(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1Cl ZINC000009223950 569513057 /nfs/dbraw/zinc/51/30/57/569513057.db2.gz LPAPCQTXEGMPRK-HXUWFJFHSA-N 0 0 435.959 5.235 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](OC(=O)c1ccccn1)c1ccccc1 ZINC000009223886 569513084 /nfs/dbraw/zinc/51/30/84/569513084.db2.gz UIOMUJSLWDMPMS-GOSISDBHSA-N 0 0 434.801 5.291 50 0 IKAARN Fc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(Cl)cc2)cc1 ZINC000009224277 569513198 /nfs/dbraw/zinc/51/31/98/569513198.db2.gz BUUIBDSODJKVBS-UHFFFAOYSA-N 0 0 425.890 8.154 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 ZINC000009226439 569513301 /nfs/dbraw/zinc/51/33/01/569513301.db2.gz VMPXHFPWWKHLFN-UHFFFAOYSA-N 0 0 435.357 6.593 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2C(C)=C(C)C(=O)N2CCCOC(C)C)c1 ZINC000009226978 569513351 /nfs/dbraw/zinc/51/33/51/569513351.db2.gz RCOXOOLLFBBAMQ-SANMLTNESA-N 0 0 432.564 5.878 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)N(C)C)cc1 ZINC000009226986 569513361 /nfs/dbraw/zinc/51/33/61/569513361.db2.gz BBKNYEXTCNLTBG-MHZLTWQESA-N 0 0 437.543 5.167 50 0 IKAARN Cc1cccc(-c2noc(CN(C(=O)COc3cc(C)c(Cl)c(C)c3)C(C)C)n2)c1 ZINC000009227092 569513374 /nfs/dbraw/zinc/51/33/74/569513374.db2.gz VQKOEFCKCUJJDU-UHFFFAOYSA-N 0 0 427.932 5.131 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)N(Cc1ccc(F)cc1)Cc1cccnc1)C1CC1 ZINC000009228374 569513604 /nfs/dbraw/zinc/51/36/04/569513604.db2.gz JACTYSZUSLBCTM-UHFFFAOYSA-N 0 0 443.478 5.158 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccc(C)cc3)c21 ZINC000009228186 569513607 /nfs/dbraw/zinc/51/36/07/569513607.db2.gz MRQQKSIRFYIHLS-UHFFFAOYSA-N 0 0 442.563 5.919 50 0 IKAARN COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)NC3CCCCC3)s1)C2 ZINC000009229156 569513686 /nfs/dbraw/zinc/51/36/86/569513686.db2.gz WUAOQRQTNXEEOU-UHFFFAOYSA-N 0 0 435.549 5.658 50 0 IKAARN CCN(CCCNC(=O)c1ccc(-n2c(C)cc3ccccc32)s1)c1cccc(C)c1 ZINC000009229196 569513701 /nfs/dbraw/zinc/51/37/01/569513701.db2.gz ASPLEGDMIDMAPS-UHFFFAOYSA-N 0 0 431.605 5.955 50 0 IKAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCc3ccc(C)cc3)cc12 ZINC000009229110 569513721 /nfs/dbraw/zinc/51/37/21/569513721.db2.gz NBVDQKKNTLZPDQ-UHFFFAOYSA-N 0 0 430.979 6.241 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000009234304 569513989 /nfs/dbraw/zinc/51/39/89/569513989.db2.gz SBRQDQDNRULXRR-OEAKJJBVSA-N 0 0 449.503 5.650 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000009242292 569514673 /nfs/dbraw/zinc/51/46/73/569514673.db2.gz ITIJSJKWCNVEKS-UHFFFAOYSA-N 0 0 445.544 5.565 50 0 IKAARN Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009242806 569514688 /nfs/dbraw/zinc/51/46/88/569514688.db2.gz OWQLACCSFFJTCY-JOCHJYFZSA-N 0 0 430.891 5.204 50 0 IKAARN CSc1ccc2cc(COC(=O)c3ccc(CN4CCCC4=O)cc3)c(Cl)nc2c1 ZINC000009244656 569515097 /nfs/dbraw/zinc/51/50/97/569515097.db2.gz PXLMGZGQNXCZIZ-UHFFFAOYSA-N 0 0 440.952 5.090 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N1CCC[C@H]1c1cccs1 ZINC000009245082 569515210 /nfs/dbraw/zinc/51/52/10/569515210.db2.gz NCAWKFUDVYIDFW-KRWDZBQOSA-N 0 0 437.615 5.876 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1Cl ZINC000009245237 569515254 /nfs/dbraw/zinc/51/52/54/569515254.db2.gz URXYKJKASOEPSB-FQEVSTJZSA-N 0 0 437.879 5.064 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000009245462 569515349 /nfs/dbraw/zinc/51/53/49/569515349.db2.gz PNWNZSZAACOSFZ-UHFFFAOYSA-N 0 0 434.883 5.158 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccccc1C ZINC000009250209 569515691 /nfs/dbraw/zinc/51/56/91/569515691.db2.gz QZYOXLUQFWLGEX-UHFFFAOYSA-N 0 0 449.576 5.389 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2)c(SCC(=O)Nc2ccccc2)n1 ZINC000009250220 569515701 /nfs/dbraw/zinc/51/57/01/569515701.db2.gz IQCBSIHUBKBGNH-UHFFFAOYSA-N 0 0 425.941 5.335 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009250188 569515703 /nfs/dbraw/zinc/51/57/03/569515703.db2.gz ASILZPHSWMOOTD-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN C[C@@H](NC(=O)Nc1ccccc1Br)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251101 569515760 /nfs/dbraw/zinc/51/57/60/569515760.db2.gz GBILIFZLOYFICE-CQSZACIVSA-N 0 0 444.398 6.063 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1=O ZINC000009251091 569515761 /nfs/dbraw/zinc/51/57/61/569515761.db2.gz BMUWKKLJRONWEO-UHFFFAOYSA-N 0 0 447.947 5.749 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CCCC3)cc1 ZINC000009251102 569515792 /nfs/dbraw/zinc/51/57/92/569515792.db2.gz BMXNVVGBPPBFIM-INIZCTEOSA-N 0 0 437.565 5.477 50 0 IKAARN Cc1cc(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)ccc1Br ZINC000009251138 569515793 /nfs/dbraw/zinc/51/57/93/569515793.db2.gz WXLMDNQYDUZJSE-UHFFFAOYSA-N 0 0 444.398 5.810 50 0 IKAARN Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251338 569515796 /nfs/dbraw/zinc/51/57/96/569515796.db2.gz MVKPGMAZBUODNY-UHFFFAOYSA-N 0 0 447.487 5.068 50 0 biogenic IKAARN Cc1ccc(C)c(NC(=O)N2CC(=O)Nc3sc4c(c3[C@H]2c2ccccc2)CCCC4)c1 ZINC000009251174 569515803 /nfs/dbraw/zinc/51/58/03/569515803.db2.gz AZCBREDVGCRKQI-XMMPIXPASA-N 0 0 445.588 5.819 50 0 IKAARN Cc1cc(NC(=O)Nc2nnc(N(CC(C)C)CC(C)C)s2)ccc1Br ZINC000009251169 569515824 /nfs/dbraw/zinc/51/58/24/569515824.db2.gz VVBUVPRAAAZDDL-UHFFFAOYSA-N 0 0 440.411 5.371 50 0 IKAARN COc1ccccc1CNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 ZINC000009251347 569515825 /nfs/dbraw/zinc/51/58/25/569515825.db2.gz KYWIYCYMEFPASV-UHFFFAOYSA-N 0 0 433.504 5.348 50 0 biogenic IKAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251378 569515850 /nfs/dbraw/zinc/51/58/50/569515850.db2.gz MFDKUDRWFTUCCD-UHFFFAOYSA-N 0 0 437.923 5.645 50 0 biogenic IKAARN COc1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)cc1OC ZINC000009251376 569515852 /nfs/dbraw/zinc/51/58/52/569515852.db2.gz UPARJZHNGFAJBB-UHFFFAOYSA-N 0 0 435.476 5.289 50 0 biogenic IKAARN Cc1c(C(=O)Nc2c(C)cccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251411 569515872 /nfs/dbraw/zinc/51/58/72/569515872.db2.gz LRIFDYWUEUSPLX-UHFFFAOYSA-N 0 0 431.532 6.669 50 0 biogenic IKAARN COC(=O)c1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 ZINC000009251380 569515876 /nfs/dbraw/zinc/51/58/76/569515876.db2.gz YTUYRHGDGCFTSP-UHFFFAOYSA-N 0 0 433.460 5.058 50 0 biogenic IKAARN CCCSCCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000009251433 569515890 /nfs/dbraw/zinc/51/58/90/569515890.db2.gz SVFLAQUAOXKZBJ-UHFFFAOYSA-N 0 0 443.609 6.063 50 0 biogenic IKAARN COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCCC2)O4)c1 ZINC000009251428 569515891 /nfs/dbraw/zinc/51/58/91/569515891.db2.gz HQLGSZGQFFRYBQ-UHFFFAOYSA-N 0 0 447.531 5.738 50 0 biogenic IKAARN COc1ccc(OC)c(Nc2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)c1 ZINC000009252049 569515967 /nfs/dbraw/zinc/51/59/67/569515967.db2.gz VHLFDPSGQIGERP-UHFFFAOYSA-N 0 0 445.906 6.117 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1NC(=O)c1ccco1 ZINC000009252863 569516071 /nfs/dbraw/zinc/51/60/71/569516071.db2.gz ULBQSCHMNVKLSQ-UHFFFAOYSA-N 0 0 434.511 5.955 50 0 IKAARN Cc1ccc(Cn2cc(C(=O)Nc3nnc(C4CC4)s3)c(-c3ccc(C)cc3)n2)cc1 ZINC000009253772 569516264 /nfs/dbraw/zinc/51/62/64/569516264.db2.gz MTIGMTYIELAVOZ-UHFFFAOYSA-N 0 0 429.549 5.196 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000009254782 569516398 /nfs/dbraw/zinc/51/63/98/569516398.db2.gz PRKIVNNDWCGKSE-UHFFFAOYSA-N 0 0 429.951 6.045 50 0 IKAARN CSc1nc2ccc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)cc2s1 ZINC000009255394 569516617 /nfs/dbraw/zinc/51/66/17/569516617.db2.gz WWXVZVLNTYNIKI-UHFFFAOYSA-N 0 0 432.933 5.557 50 0 IKAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2Br)o1)c1ccccc1 ZINC000009257764 569516905 /nfs/dbraw/zinc/51/69/05/569516905.db2.gz RILPZRQGQOMYIQ-KRWDZBQOSA-N 0 0 446.370 5.201 50 0 IKAARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009260677 569516955 /nfs/dbraw/zinc/51/69/55/569516955.db2.gz LBYVOXXUBNXSEX-IBGZPJMESA-N 0 0 432.574 5.750 50 0 IKAARN Cc1ccc(NC(=O)c2cnn3c2N=C(c2ccc(C)cc2)C[C@@H]3c2ccccc2F)cc1 ZINC000009264968 569517293 /nfs/dbraw/zinc/51/72/93/569517293.db2.gz FCVOFBONVKWYBP-RUZDIDTESA-N 0 0 438.506 5.947 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000009266305 569517344 /nfs/dbraw/zinc/51/73/44/569517344.db2.gz UHWXZXQZBAZPHK-UHFFFAOYSA-N 0 0 448.954 5.328 50 0 IKAARN CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000009266851 569517450 /nfs/dbraw/zinc/51/74/50/569517450.db2.gz PSLPKWNSAAEBBE-UHFFFAOYSA-N 0 0 444.966 6.383 50 0 IKAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)c(OC)c1 ZINC000009266709 569517478 /nfs/dbraw/zinc/51/74/78/569517478.db2.gz JOHBJMUKCQJEPT-UHFFFAOYSA-N 0 0 442.519 5.184 50 0 IKAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N(Cc3cccs3)C3CCCCC3)c2)on1 ZINC000009268742 569517557 /nfs/dbraw/zinc/51/75/57/569517557.db2.gz IVVQNMQXRJIGCA-UHFFFAOYSA-N 0 0 430.595 5.544 50 0 IKAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N(Cc3ccco3)[C@@H](C)c3ccccc3)c2)on1 ZINC000009268703 569517562 /nfs/dbraw/zinc/51/75/62/569517562.db2.gz AYWPRQHZEAUZGL-IBGZPJMESA-N 0 0 436.533 5.504 50 0 IKAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc2[C@@H](NC(=O)c2ccccc2)C(C)C)c1 ZINC000009272748 569518045 /nfs/dbraw/zinc/51/80/45/569518045.db2.gz GTDZNVZZFRKPLU-VWLOTQADSA-N 0 0 440.547 5.111 50 0 IKAARN CCCCCOc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000009272991 569518059 /nfs/dbraw/zinc/51/80/59/569518059.db2.gz FVFGABJRLGWKFB-OAQYLSRUSA-N 0 0 441.575 6.145 50 0 IKAARN CCCCCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000009272990 569518065 /nfs/dbraw/zinc/51/80/65/569518065.db2.gz FVFGABJRLGWKFB-NRFANRHFSA-N 0 0 441.575 6.145 50 0 IKAARN Cc1ccc2c(C[NH2+]Cc3cccc(Cl)c3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000009274818 569518224 /nfs/dbraw/zinc/51/82/24/569518224.db2.gz SBDIQEGKRBIYNV-UHFFFAOYSA-N 0 0 432.951 5.948 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])c1 ZINC000009274909 569518257 /nfs/dbraw/zinc/51/82/57/569518257.db2.gz NVURFWROGTXVAH-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN CCOc1cc(-c2nnc(NC(=O)c3cccc4ccccc43)o2)cc(OCC)c1OCC ZINC000009274830 569518263 /nfs/dbraw/zinc/51/82/63/569518263.db2.gz VMAMVZMAWGJNEA-UHFFFAOYSA-N 0 0 447.491 5.338 50 0 IKAARN Cc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009274869 569518264 /nfs/dbraw/zinc/51/82/64/569518264.db2.gz NIXJFUZYZQHJAG-LJQANCHMSA-N 0 0 430.523 5.729 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009274837 569518271 /nfs/dbraw/zinc/51/82/71/569518271.db2.gz HPZSQUILDWIATM-UHFFFAOYSA-N 0 0 444.600 6.016 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000009274948 569518305 /nfs/dbraw/zinc/51/83/05/569518305.db2.gz WNXSCFCWCMUUCW-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(OC)cc3)c2C(=O)[O-])cc1 ZINC000009274947 569518316 /nfs/dbraw/zinc/51/83/16/569518316.db2.gz UKYRKWSKBMPCEA-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN Cc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000009274904 569518339 /nfs/dbraw/zinc/51/83/39/569518339.db2.gz HWZUGLQJZFDDHK-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009274985 569518346 /nfs/dbraw/zinc/51/83/46/569518346.db2.gz ZQLAFVWSOBLDLE-UHFFFAOYSA-N 0 0 442.559 5.346 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(OC)cc3)c2C(=O)[O-])cc1 ZINC000009274997 569518381 /nfs/dbraw/zinc/51/83/81/569518381.db2.gz MKPGQGCMBZYFOA-UHFFFAOYSA-N 0 0 440.543 5.638 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C[C@H](C)c3ccccc3)c2C(=O)[O-])cc1 ZINC000009275006 569518390 /nfs/dbraw/zinc/51/83/90/569518390.db2.gz LZAFPKRXSQGYST-NRFANRHFSA-N 0 0 438.571 6.233 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3cccs3)c2C(=O)[O-])cc1 ZINC000009275024 569518402 /nfs/dbraw/zinc/51/84/02/569518402.db2.gz BWUJTPPFLCBPDV-UHFFFAOYSA-N 0 0 430.573 5.733 50 0 IKAARN Cc1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)cccc1-c1nc2cccnc2s1 ZINC000009278874 569518495 /nfs/dbraw/zinc/51/84/95/569518495.db2.gz ZQJVFKDVOOYURD-UHFFFAOYSA-N 0 0 435.552 6.515 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccc(C)c1 ZINC000009277440 569518499 /nfs/dbraw/zinc/51/84/99/569518499.db2.gz UQLTXVICFHMPMF-UHFFFAOYSA-N 0 0 425.941 5.357 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000009280905 569518568 /nfs/dbraw/zinc/51/85/68/569518568.db2.gz VVWSNHNUGBQQRK-QHCPKHFHSA-N 0 0 426.472 5.035 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2)c1 ZINC000009281102 569518585 /nfs/dbraw/zinc/51/85/85/569518585.db2.gz GKGUONZXUZEUJG-FQEVSTJZSA-N 0 0 447.288 5.009 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000009281901 569518589 /nfs/dbraw/zinc/51/85/89/569518589.db2.gz GJMCKONYJBLBDT-SQJMNOBHSA-N 0 0 432.545 5.668 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000009282672 569518642 /nfs/dbraw/zinc/51/86/42/569518642.db2.gz HKUVVHOJTYAKOL-VWLOTQADSA-N 0 0 438.527 5.986 50 0 IKAARN CCCCN(CCCC)c1nc(SC)nc2c1sc1nc(CCC)c3c(c12)CCC3 ZINC000009282597 569518650 /nfs/dbraw/zinc/51/86/50/569518650.db2.gz VNHCJAPCHJLQCX-UHFFFAOYSA-N 0 0 442.698 6.809 50 0 IKAARN c1ccc([C@@H]2c3c4nc(-c5cccnc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000009282114 569518665 /nfs/dbraw/zinc/51/86/65/569518665.db2.gz IIVCNWHGZWASCQ-QFIPXVFZSA-N 0 0 427.467 5.625 50 0 IKAARN Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccccc1 ZINC000009281919 569518690 /nfs/dbraw/zinc/51/86/90/569518690.db2.gz PUFNMLBADQQUSE-XMMPIXPASA-N 0 0 440.506 6.539 50 0 IKAARN CCCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000009282723 569518703 /nfs/dbraw/zinc/51/87/03/569518703.db2.gz POHDLAWDZFPBBN-UHFFFAOYSA-N 0 0 433.646 7.458 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccc(Cl)c1Cl ZINC000009283337 569518856 /nfs/dbraw/zinc/51/88/56/569518856.db2.gz YSIOXPZRJNJUSG-UHFFFAOYSA-N 0 0 425.366 5.188 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4C)o3)ccc21 ZINC000009283514 569518895 /nfs/dbraw/zinc/51/88/95/569518895.db2.gz IZUOIBOOZUGZCD-UHFFFAOYSA-N 0 0 442.544 5.904 50 0 IKAARN CCOc1ccccc1N(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000009284245 569518998 /nfs/dbraw/zinc/51/89/98/569518998.db2.gz JAUVKYMLDVBDNC-NRFANRHFSA-N 0 0 432.501 5.200 50 0 IKAARN Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cc(Cl)ccc1Cl ZINC000009284697 569519119 /nfs/dbraw/zinc/51/91/19/569519119.db2.gz SVPQEVDPSDAQKQ-UHFFFAOYSA-N 0 0 434.377 5.382 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nnc(-c2cccs2)o1 ZINC000009285888 569519240 /nfs/dbraw/zinc/51/92/40/569519240.db2.gz RXIPTFIZZKVCPW-AWEZNQCLSA-N 0 0 449.536 6.038 50 0 IKAARN CC(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(Br)c1 ZINC000009288314 569519355 /nfs/dbraw/zinc/51/93/55/569519355.db2.gz JWOHWPIPWFPXES-UHFFFAOYSA-N 0 0 440.337 6.382 50 0 IKAARN CCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1 ZINC000009288411 569519358 /nfs/dbraw/zinc/51/93/58/569519358.db2.gz XYDMLXVTROKIED-UHFFFAOYSA-N 0 0 432.545 5.656 50 0 IKAARN O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009288350 569519375 /nfs/dbraw/zinc/51/93/75/569519375.db2.gz NIHVEUUBRVODGU-UHFFFAOYSA-N 0 0 431.798 5.279 50 0 IKAARN Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C ZINC000009288199 569519376 /nfs/dbraw/zinc/51/93/76/569519376.db2.gz LGNAWNXUMQTZJE-RUZDIDTESA-N 0 0 443.934 5.324 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)NC[C@H](C)c1ccccc1)c2Sc1ccc(Cl)cc1 ZINC000009288256 569519381 /nfs/dbraw/zinc/51/93/81/569519381.db2.gz XZYSFXIRDNPMAL-KRWDZBQOSA-N 0 0 434.992 6.814 50 0 IKAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)Cc2cccc3ccccc32)cc1 ZINC000009288848 569519409 /nfs/dbraw/zinc/51/94/09/569519409.db2.gz UQPIMDGGTNVKCV-UHFFFAOYSA-N 0 0 433.515 5.297 50 0 IKAARN O=C(c1cccc2ccccc21)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 ZINC000009288817 569519412 /nfs/dbraw/zinc/51/94/12/569519412.db2.gz SFFWAQGLBXVCSY-UHFFFAOYSA-N 0 0 439.906 5.447 50 0 IKAARN Cc1nnc2sc(-c3ccccc3NC(=O)c3sc4ccccc4c3Cl)nn12 ZINC000009289061 569519485 /nfs/dbraw/zinc/51/94/85/569519485.db2.gz KJNPYUUHYFVHOH-UHFFFAOYSA-N 0 0 425.926 5.282 50 0 IKAARN CC(C)CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000009288874 569519498 /nfs/dbraw/zinc/51/94/98/569519498.db2.gz QGKPZOFWTLNEAU-UHFFFAOYSA-N 0 0 441.535 5.218 50 0 IKAARN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289169 569519517 /nfs/dbraw/zinc/51/95/17/569519517.db2.gz WZNKSYFXICJZEV-QGZVFWFLSA-N 0 0 425.941 5.471 50 0 IKAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 ZINC000009289261 569519546 /nfs/dbraw/zinc/51/95/46/569519546.db2.gz JTENPBUEUSQQGE-SANMLTNESA-N 0 0 436.559 6.396 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O ZINC000009289643 569519616 /nfs/dbraw/zinc/51/96/16/569519616.db2.gz WMPLOFUPAWAFGM-UHFFFAOYSA-N 0 0 441.940 5.001 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)c(Cl)c1 ZINC000009290932 569519796 /nfs/dbraw/zinc/51/97/96/569519796.db2.gz VIAJQASPXKGQNU-FCHUYYIVSA-N 0 0 448.313 5.193 50 0 IKAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009291395 569519873 /nfs/dbraw/zinc/51/98/73/569519873.db2.gz QBQHUJAQWDHEPP-UNMCSNQZSA-N 0 0 434.337 5.954 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)c1 ZINC000009291531 569519886 /nfs/dbraw/zinc/51/98/86/569519886.db2.gz CZBDGCAQGMLOPG-FCHUYYIVSA-N 0 0 448.313 5.193 50 0 IKAARN CCOc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 ZINC000009292270 569519984 /nfs/dbraw/zinc/51/99/84/569519984.db2.gz OLTVZUDKSIEUPR-IFMALSPDSA-N 0 0 438.358 6.888 50 0 IKAARN Clc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009292374 569519992 /nfs/dbraw/zinc/51/99/92/569519992.db2.gz XJGHNJDNTSCSLR-CTNGQTDRSA-N 0 0 438.756 6.599 50 0 IKAARN Cc1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n2ncc(-c3ccccc3)c2n1 ZINC000009292221 569520009 /nfs/dbraw/zinc/52/00/09/569520009.db2.gz RNQZLBYDOGDZGH-UHFFFAOYSA-N 0 0 442.466 5.454 50 0 IKAARN Clc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009292554 569520029 /nfs/dbraw/zinc/52/00/29/569520029.db2.gz XJGHNJDNTSCSLR-FPOVZHCZSA-N 0 0 438.756 6.599 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(C)c(C)cc(C)c3C)CC2=O)cc1 ZINC000009292945 569520048 /nfs/dbraw/zinc/52/00/48/569520048.db2.gz PVVLJVYVIHZEQJ-QHCPKHFHSA-N 0 0 437.587 6.147 50 0 IKAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009292837 569520051 /nfs/dbraw/zinc/52/00/51/569520051.db2.gz XLFGJRLYWRFFKK-JTHBVZDNSA-N 0 0 448.364 6.344 50 0 IKAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292784 569520055 /nfs/dbraw/zinc/52/00/55/569520055.db2.gz IVLNMHNMAUUHHO-GMAHTHKFSA-N 0 0 438.358 6.888 50 0 IKAARN CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292690 569520082 /nfs/dbraw/zinc/52/00/82/569520082.db2.gz PKHQQOBSUHZADT-LADGPHEKSA-N 0 0 436.386 7.613 50 0 IKAARN Clc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3c4ccccc4nc3N2)cc1 ZINC000009292695 569520115 /nfs/dbraw/zinc/52/01/15/569520115.db2.gz BJYTZTREKYKEEF-PZJWPPBQSA-N 0 0 438.756 6.599 50 0 IKAARN CCOc1ccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000009293641 569520272 /nfs/dbraw/zinc/52/02/72/569520272.db2.gz KKZLKVSLRFDGFH-UHFFFAOYSA-N 0 0 448.570 6.746 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000009295681 569520358 /nfs/dbraw/zinc/52/03/58/569520358.db2.gz ZXUKZAZYNIICIV-UCQKPKSFSA-N 0 0 449.959 6.464 50 0 IKAARN CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000009295921 569520396 /nfs/dbraw/zinc/52/03/96/569520396.db2.gz ARWHWZRVVDNSRF-YVLHZVERSA-N 0 0 436.302 5.223 50 0 IKAARN Cc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1C ZINC000009296419 569520486 /nfs/dbraw/zinc/52/04/86/569520486.db2.gz BDKQWRNQNVZSEL-UHFFFAOYSA-N 0 0 446.561 5.350 50 0 IKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000009299692 569520566 /nfs/dbraw/zinc/52/05/66/569520566.db2.gz ZLNSWBZIVLEYQP-GFCCVEGCSA-N 0 0 434.841 6.177 50 0 IKAARN Brc1ccc([C@@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 ZINC000009300955 569520712 /nfs/dbraw/zinc/52/07/12/569520712.db2.gz RZJCTHGSILXXSP-MNZJMPCCSA-N 0 0 433.349 6.843 50 0 IKAARN CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000009301379 569520713 /nfs/dbraw/zinc/52/07/13/569520713.db2.gz VKSWGTSPUWNCAR-ZZIIXHQDSA-N 0 0 445.584 7.078 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)sc1C ZINC000009304809 569521173 /nfs/dbraw/zinc/52/11/73/569521173.db2.gz HLQGQBVVSRRRCE-GOSISDBHSA-N 0 0 440.883 5.409 50 0 IKAARN Cc1c([C@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000009307081 569521403 /nfs/dbraw/zinc/52/14/03/569521403.db2.gz OCNHOKFBEGVRGQ-LBNVMWSVSA-N 0 0 436.599 6.558 50 0 IKAARN COc1ccc(CN(CC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)C(C)=O)cc1 ZINC000009308154 569521431 /nfs/dbraw/zinc/52/14/31/569521431.db2.gz MZEBJUFDFQQLNJ-AREMUKBSSA-N 0 0 444.015 5.905 50 0 IKAARN O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000009308007 569521441 /nfs/dbraw/zinc/52/14/41/569521441.db2.gz IXXVOBDQVAYGAH-RUZDIDTESA-N 0 0 437.543 5.112 50 0 IKAARN CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308804 569521505 /nfs/dbraw/zinc/52/15/05/569521505.db2.gz XYWBWHPBOCBHCB-UPVQGACJSA-N 0 0 446.392 7.069 50 0 IKAARN CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009308852 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569522198 /nfs/dbraw/zinc/52/21/98/569522198.db2.gz ILBDHWXMOPTAGH-UHFFFAOYSA-N 0 0 447.516 5.235 50 0 IKAARN C[C@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009316443 569522223 /nfs/dbraw/zinc/52/22/23/569522223.db2.gz NYDPTPDSUCASRF-ZDUSSCGKSA-N 0 0 435.530 5.206 50 0 IKAARN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1C ZINC000009318346 569522393 /nfs/dbraw/zinc/52/23/93/569522393.db2.gz NPJAEILQHAOUBH-UHFFFAOYSA-N 0 0 428.941 5.034 50 0 IKAARN COc1ccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc32)cc1 ZINC000009319427 569522456 /nfs/dbraw/zinc/52/24/56/569522456.db2.gz XIGDXIWSYLIOJE-UHFFFAOYSA-N 0 0 433.874 5.358 50 0 IKAARN CCCCc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC000069878163 569522590 /nfs/dbraw/zinc/52/25/90/569522590.db2.gz IIMDWKMCAYIFPP-QFIPXVFZSA-N 0 0 439.604 5.101 50 0 IKAARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000009327661 569522723 /nfs/dbraw/zinc/52/27/23/569522723.db2.gz OGPJLYPJKYTPSL-UHFFFAOYSA-N 0 0 438.252 5.614 50 0 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O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(N2CCCCCC2)cc1 ZINC000009338607 569523720 /nfs/dbraw/zinc/52/37/20/569523720.db2.gz RNPKFIDQVAAYKJ-UHFFFAOYSA-N 0 0 442.972 5.501 50 0 IKAARN CCc1cc2c(cc1OCc1cccc3ccccc31)occ(-c1nc(C)cs1)c2=O ZINC000009339702 569523782 /nfs/dbraw/zinc/52/37/82/569523782.db2.gz DXOKNVULFZOIQH-UHFFFAOYSA-N 0 0 427.525 6.520 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2SCC(=O)c2ccc(C)cc2)c1-c1ccccc1 ZINC000009345243 569524056 /nfs/dbraw/zinc/52/40/56/569524056.db2.gz MLDGHBBVNZIODP-UHFFFAOYSA-N 0 0 429.589 6.286 50 0 IKAARN Brc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)cc1 ZINC000009345171 569524085 /nfs/dbraw/zinc/52/40/85/569524085.db2.gz MQMUVKKABOHRHE-OAQYLSRUSA-N 0 0 430.309 5.755 50 0 IKAARN CCCCc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)cc1 ZINC000009345508 569524168 /nfs/dbraw/zinc/52/41/68/569524168.db2.gz WAXPWDWWMMSCAW-RUZDIDTESA-N 0 0 444.600 6.238 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000009346129 569524173 /nfs/dbraw/zinc/52/41/73/569524173.db2.gz ZJHYWCDBMLSWBM-LRDDRELGSA-N 0 0 439.965 5.310 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccn3)nc2c(C)c1 ZINC000009347817 569524326 /nfs/dbraw/zinc/52/43/26/569524326.db2.gz GIZZDNCPAWHBHM-NRFANRHFSA-N 0 0 439.496 5.164 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)oc3ccc(Cl)cc3c2=O)cc1OC ZINC000009348532 569524507 /nfs/dbraw/zinc/52/45/07/569524507.db2.gz ALCAKFBWUMZXKU-UHFFFAOYSA-N 0 0 449.890 5.691 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)n1 ZINC000009349311 569524722 /nfs/dbraw/zinc/52/47/22/569524722.db2.gz QPKWMDRTTWVNFN-JOCHJYFZSA-N 0 0 445.592 5.389 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)o1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000009349361 569524733 /nfs/dbraw/zinc/52/47/33/569524733.db2.gz QTXVWELSEQXJSL-OAQYLSRUSA-N 0 0 433.508 5.068 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)CSCc2nc(-c3ccccc3OC(F)F)no2)cc1 ZINC000009349553 569524755 /nfs/dbraw/zinc/52/47/55/569524755.db2.gz BXLQBWPIXCNOSU-UHFFFAOYSA-N 0 0 447.507 5.507 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Br)cc1F ZINC000009354737 569525112 /nfs/dbraw/zinc/52/51/12/569525112.db2.gz SJTOVEYXPIPVSG-UHFFFAOYSA-N 0 0 446.128 6.271 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccc(Cl)c1 ZINC000009355036 569525180 /nfs/dbraw/zinc/52/51/80/569525180.db2.gz CPECPBYKIRLAJZ-UHFFFAOYSA-N 0 0 443.315 5.323 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009355413 569525213 /nfs/dbraw/zinc/52/52/13/569525213.db2.gz VCYKYQXSFNQKGG-WRONEBCDSA-N 0 0 428.535 7.141 50 0 IKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2CCc2ccccc2)c1-c1ccccc1 ZINC000009355483 569525247 /nfs/dbraw/zinc/52/52/47/569525247.db2.gz XPRBGFCGWKWPSL-SSEXGKCCSA-N 0 0 442.562 6.633 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1)c1ccco1 ZINC000069949976 569525261 /nfs/dbraw/zinc/52/52/61/569525261.db2.gz CFHQTFVCOATJHC-UHFFFAOYSA-N 0 0 446.507 5.192 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)/C=C/c3ccccc3)C3CCCCC3)n2)cc1OC ZINC000009355739 569525279 /nfs/dbraw/zinc/52/52/79/569525279.db2.gz YAIUTVMYQBJNDL-DTQAZKPQSA-N 0 0 447.535 5.129 50 0 IKAARN O=C(Nc1ncc(-c2ccc(Br)cc2)s1)c1sc2ccccc2c1Cl ZINC000009363708 569525962 /nfs/dbraw/zinc/52/59/62/569525962.db2.gz PTPIDFLIBZWUKM-UHFFFAOYSA-N 0 0 449.782 6.693 50 0 IKAARN O=C(NCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cc2ccccc2[nH]1 ZINC000009355917 569525312 /nfs/dbraw/zinc/52/53/12/569525312.db2.gz POVRSKDNOGUOMF-UHFFFAOYSA-N 0 0 446.359 5.239 50 0 IKAARN Brc1ccc([C@@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 ZINC000009356957 569525485 /nfs/dbraw/zinc/52/54/85/569525485.db2.gz RZJCTHGSILXXSP-BMXIYFGQSA-N 0 0 433.349 6.843 50 0 IKAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4Cl)nc3c1[C@@H]2c1ccccc1 ZINC000009359131 569525704 /nfs/dbraw/zinc/52/57/04/569525704.db2.gz JNLDXIXXJLEURE-HXUWFJFHSA-N 0 0 426.863 5.436 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccccc1Br ZINC000009363781 569525970 /nfs/dbraw/zinc/52/59/70/569525970.db2.gz KDGXAAAOPPXNOP-UHFFFAOYSA-N 0 0 434.746 5.287 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000009364612 569526050 /nfs/dbraw/zinc/52/60/50/569526050.db2.gz LLJAQHMOVDPCLF-UHFFFAOYSA-N 0 0 441.556 5.294 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc43)s2)c(C)c1 ZINC000009365298 569526094 /nfs/dbraw/zinc/52/60/94/569526094.db2.gz HZVUVKBQPYXSOA-UHFFFAOYSA-N 0 0 448.573 5.291 50 0 IKAARN COc1cccc(NCc2nnc(SCc3ccc(F)cc3)n2C2CCCCC2)c1 ZINC000009365090 569526115 /nfs/dbraw/zinc/52/61/15/569526115.db2.gz UZBDEILLALSETG-UHFFFAOYSA-N 0 0 426.561 5.835 50 0 IKAARN Cc1oc2cc(O[C@@H](C)C(=O)N3CCc4ccccc43)ccc2c(=O)c1-c1ccccc1 ZINC000009366032 569526235 /nfs/dbraw/zinc/52/62/35/569526235.db2.gz BRMPIOGPJVPCJF-SFHVURJKSA-N 0 0 425.484 5.125 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1cccc(Cl)c1 ZINC000009366803 569526262 /nfs/dbraw/zinc/52/62/62/569526262.db2.gz DCFQRFLHINQBLH-UHFFFAOYSA-N 0 0 440.775 5.499 50 0 IKAARN COc1cccc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)c1 ZINC000009366767 569526267 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Cc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000009369614 569526716 /nfs/dbraw/zinc/52/67/16/569526716.db2.gz CEHHIJXBWACYMT-OMHSXHNCSA-N 0 0 445.360 6.149 50 0 IKAARN COc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)c3ccccc3)c(Cl)nc2c1 ZINC000009369880 569526867 /nfs/dbraw/zinc/52/68/67/569526867.db2.gz NLJOGGDLDQOWLM-DEOSSOPVSA-N 0 0 441.918 5.888 50 0 IKAARN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000009374280 569527116 /nfs/dbraw/zinc/52/71/16/569527116.db2.gz KYPYZIUXAPIWOD-VWLOTQADSA-N 0 0 427.479 5.673 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 ZINC000009375590 569527193 /nfs/dbraw/zinc/52/71/93/569527193.db2.gz XWMKJAJCWZNSLD-UHFFFAOYSA-N 0 0 437.927 6.079 50 0 IKAARN O=C(Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1)c1ccccc1Cl ZINC000009375670 569527275 /nfs/dbraw/zinc/52/72/75/569527275.db2.gz ZEBATEISRRKSGW-UHFFFAOYSA-N 0 0 427.843 5.881 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)o1 ZINC000009376565 569527312 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569530438 /nfs/dbraw/zinc/53/04/38/569530438.db2.gz RGTVCAWEHZNOMA-UHFFFAOYSA-N 0 0 440.591 5.336 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c(C)c12 ZINC000009407996 569530441 /nfs/dbraw/zinc/53/04/41/569530441.db2.gz BDTHYWPQLRUQMN-UHFFFAOYSA-N 0 0 446.982 6.187 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3cccc(Cl)c3C)c(C)c12 ZINC000009407995 569530453 /nfs/dbraw/zinc/53/04/53/569530453.db2.gz PSDKERQAWBOEOI-UHFFFAOYSA-N 0 0 446.982 6.187 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCc3ccc(C)cc3)c(C)c12 ZINC000009408500 569530607 /nfs/dbraw/zinc/53/06/07/569530607.db2.gz IUWMIQVBYJAMMD-UHFFFAOYSA-N 0 0 440.591 5.520 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C ZINC000009408545 569530648 /nfs/dbraw/zinc/53/06/48/569530648.db2.gz BEVVYDIPGAPPIS-UHFFFAOYSA-N 0 0 442.991 5.653 50 0 IKAARN Cc1ccc(-c2cc(OC(=O)COc3ccc(Cl)cc3)cc3sc(=O)oc32)cc1 ZINC000009408845 569530698 /nfs/dbraw/zinc/53/06/98/569530698.db2.gz CPERXROXNVCFID-UHFFFAOYSA-N 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ZINC000009409519 569531090 /nfs/dbraw/zinc/53/10/90/569531090.db2.gz TWERNQQZSANCJG-UHFFFAOYSA-N 0 0 435.545 5.079 50 0 IKAARN COc1cc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc32)cc(OC)c1OC ZINC000009410004 569531207 /nfs/dbraw/zinc/53/12/07/569531207.db2.gz URKJWUAETUBDTB-UHFFFAOYSA-N 0 0 443.455 5.976 50 0 IKAARN COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1 ZINC000009410016 569531222 /nfs/dbraw/zinc/53/12/22/569531222.db2.gz ZMOCMMGUPTYADS-UHFFFAOYSA-N 0 0 440.858 5.955 50 0 IKAARN COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)c1 ZINC000009409986 569531227 /nfs/dbraw/zinc/53/12/27/569531227.db2.gz BYERSKMHLPMTTO-UHFFFAOYSA-N 0 0 440.858 5.955 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2Cc2ccco2)cc1 ZINC000009410397 569531355 /nfs/dbraw/zinc/53/13/55/569531355.db2.gz NDPBEGVCXLIQRC-UHFFFAOYSA-N 0 0 440.503 5.550 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000009410645 569531409 /nfs/dbraw/zinc/53/14/09/569531409.db2.gz QCYLLYBAEQAECD-UHFFFAOYSA-N 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5.432 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000009414160 569531947 /nfs/dbraw/zinc/53/19/47/569531947.db2.gz CPGJZMZRABGEDV-UHFFFAOYSA-N 0 0 430.847 6.337 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCc2ccccc2)cc1 ZINC000009414093 569531949 /nfs/dbraw/zinc/53/19/49/569531949.db2.gz BBNJOSBIWZEARO-UHFFFAOYSA-N 0 0 442.515 6.045 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Cl)cc1 ZINC000009414035 569531957 /nfs/dbraw/zinc/53/19/57/569531957.db2.gz PYCILWNLZRCMGT-UHFFFAOYSA-N 0 0 434.879 5.990 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1ccc(Br)o1 ZINC000009414021 569531980 /nfs/dbraw/zinc/53/19/80/569531980.db2.gz TZGFOLPTUYBGFK-UHFFFAOYSA-N 0 0 443.228 5.432 50 0 IKAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1ccccc1C(F)(F)F ZINC000009414607 569531992 /nfs/dbraw/zinc/53/19/92/569531992.db2.gz YSTCXSKXGZICPL-LJQANCHMSA-N 0 0 446.450 5.507 50 0 IKAARN CCCCc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1 ZINC000009414592 569532006 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IKAARN COc1ccc([C@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000009419304 569532547 /nfs/dbraw/zinc/53/25/47/569532547.db2.gz FUZIPQILYVZHJI-LJQANCHMSA-N 0 0 428.355 5.909 50 0 IKAARN COc1ccc([C@@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000009419303 569532554 /nfs/dbraw/zinc/53/25/54/569532554.db2.gz FUZIPQILYVZHJI-IBGZPJMESA-N 0 0 428.355 5.909 50 0 IKAARN CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009420801 569532721 /nfs/dbraw/zinc/53/27/21/569532721.db2.gz ZMCXFDTYDZDCFP-QFIPXVFZSA-N 0 0 428.517 5.004 50 0 IKAARN Cc1c(C)n(CCCOC(C)C)c(NC(=O)c2ccc(F)cc2)c1-c1nc2ccccc2[nH]1 ZINC000009421133 569532753 /nfs/dbraw/zinc/53/27/53/569532753.db2.gz WBIWRDQTNXOPJY-UHFFFAOYSA-N 0 0 448.542 5.855 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1cccnc1)occ3-c1ccc(Cl)cc1 ZINC000009422839 569532899 /nfs/dbraw/zinc/53/28/99/569532899.db2.gz WWHRHADSYVCHEU-UHFFFAOYSA-N 0 0 444.874 5.744 50 0 IKAARN COc1ccc(CCC(=O)Nc2nc(-c3c(C)n(C)c4ccc(OC)cc43)cs2)cc1 ZINC000009423298 569532931 /nfs/dbraw/zinc/53/29/31/569532931.db2.gz DKAQBPLBICPEOF-UHFFFAOYSA-N 0 0 435.549 5.199 50 0 IKAARN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1ccc(C)cc1 ZINC000009424284 569533110 /nfs/dbraw/zinc/53/31/10/569533110.db2.gz GZGBBPIPDIGMFG-MYYYXRDXSA-N 0 0 435.552 5.077 50 0 IKAARN O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCc2ccccc2)cc1 ZINC000009425517 569533182 /nfs/dbraw/zinc/53/31/82/569533182.db2.gz AKJGNQIAYVBXPK-UHFFFAOYSA-N 0 0 432.564 5.069 50 0 IKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000009425611 569533191 /nfs/dbraw/zinc/53/31/91/569533191.db2.gz LRISMGHJJDIWSI-UHFFFAOYSA-N 0 0 442.849 6.468 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccc(Cl)cc1Cl ZINC000009426298 569533238 /nfs/dbraw/zinc/53/32/38/569533238.db2.gz ZTKPNWSSNFFBND-VWLOTQADSA-N 0 0 449.381 7.107 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1cc(OC)ccc1OC ZINC000009426287 569533272 /nfs/dbraw/zinc/53/32/72/569533272.db2.gz LTVOIRNNGOCVCF-AREMUKBSSA-N 0 0 426.516 5.807 50 0 IKAARN O=C(c1csc(-c2ccccc2)n1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826359 569533511 /nfs/dbraw/zinc/53/35/11/569533511.db2.gz JADWRMJNIFQIMX-UHFFFAOYSA-N 0 0 443.576 5.154 50 0 IKAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000009428024 569533514 /nfs/dbraw/zinc/53/35/14/569533514.db2.gz AWHOBWRTCZBIFZ-UHFFFAOYSA-N 0 0 446.934 5.736 50 0 IKAARN c1c(-c2ccccc2)n(Cc2ccccn2)c2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000009428666 569533559 /nfs/dbraw/zinc/53/35/59/569533559.db2.gz WUFFASFLUGZKCW-UHFFFAOYSA-N 0 0 426.523 6.580 50 0 IKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000009428661 569533583 /nfs/dbraw/zinc/53/35/83/569533583.db2.gz FXVOXLAGCBUJEU-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCc3ccncc3)c(=O)oc12 ZINC000009429191 569533675 /nfs/dbraw/zinc/53/36/75/569533675.db2.gz HLDJPPFKPYOTNX-UHFFFAOYSA-N 0 0 432.520 5.098 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Oc1cc2sc(=O)oc2c(-c2ccc(F)cc2)c1 ZINC000009430725 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50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000009471023 569538923 /nfs/dbraw/zinc/53/89/23/569538923.db2.gz UIXHTJUTUXFZPX-SFHVURJKSA-N 0 0 426.339 5.590 50 0 IKAARN CC(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000009471550 569538944 /nfs/dbraw/zinc/53/89/44/569538944.db2.gz HAIRFBIJWLTXRF-UHFFFAOYSA-N 0 0 432.593 6.216 50 0 IKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000009476793 569539106 /nfs/dbraw/zinc/53/91/06/569539106.db2.gz ASSIMMOBQPRIRJ-LBPRGKRZSA-N 0 0 439.491 5.159 50 0 IKAARN CC[C@H](C)n1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000009477230 569539169 /nfs/dbraw/zinc/53/91/69/569539169.db2.gz FIJVWICNZOICOT-ZDUSSCGKSA-N 0 0 426.929 5.363 50 0 IKAARN CCN(CC)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000009477595 569539216 /nfs/dbraw/zinc/53/92/16/569539216.db2.gz LPCFKBYRERRWEW-SANMLTNESA-N 0 0 441.575 5.047 50 0 IKAARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(OCc4c(C)noc4C)cc3)cc2)cs1 ZINC000009477931 569539253 /nfs/dbraw/zinc/53/92/53/569539253.db2.gz VAFPWRSARGGNFL-UHFFFAOYSA-N 0 0 447.560 5.275 50 0 IKAARN COc1cccc(CSc2nnc(-c3cc4occc4n3C)n2-c2ccccc2C)c1 ZINC000009477780 569539281 /nfs/dbraw/zinc/53/92/81/569539281.db2.gz BXVJVHWQFAETCT-UHFFFAOYSA-N 0 0 430.533 5.628 50 0 IKAARN Cc1sc2[nH]c([C@@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)nc(=O)c2c1C ZINC000009478234 569539306 /nfs/dbraw/zinc/53/93/06/569539306.db2.gz IROHRPCGKUDQLV-GFCCVEGCSA-N 0 0 443.623 5.033 50 0 IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc(Br)cc2)n1 ZINC000009479424 569539417 /nfs/dbraw/zinc/53/94/17/569539417.db2.gz HDLSPGNKFXVRKS-UHFFFAOYSA-N 0 0 442.338 5.432 50 0 IKAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000009479492 569539431 /nfs/dbraw/zinc/53/94/31/569539431.db2.gz MOEOGRDISJTPPM-UHFFFAOYSA-N 0 0 437.528 5.213 50 0 IKAARN COc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@H]2CCCO2)cc1 ZINC000009481272 569539472 /nfs/dbraw/zinc/53/94/72/569539472.db2.gz IMDCUCCEYCMKIM-QGZVFWFLSA-N 0 0 438.578 5.035 50 0 IKAARN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc(F)cc2)cc1OC ZINC000009484153 569539537 /nfs/dbraw/zinc/53/95/37/569539537.db2.gz PNVRKQCJSCNREB-HSZRJFAPSA-N 0 0 431.467 5.193 50 0 IKAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccccc1OCc1ccccc1)CC(=O)N2 ZINC000009485851 569539577 /nfs/dbraw/zinc/53/95/77/569539577.db2.gz DCOOVNKFTGZMCV-NRFANRHFSA-N 0 0 439.519 5.290 50 0 IKAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000009487631 569539750 /nfs/dbraw/zinc/53/97/50/569539750.db2.gz RXGNZIADTFVLHM-UHFFFAOYSA-N 0 0 432.940 5.148 50 0 IKAARN COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(C)cc2)cc1OC ZINC000009487664 569539802 /nfs/dbraw/zinc/53/98/02/569539802.db2.gz OQSHKOZTSRYGNO-UHFFFAOYSA-N 0 0 431.513 5.506 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000009489406 569540002 /nfs/dbraw/zinc/54/00/02/569540002.db2.gz HKFMMXUUWLELPP-PKTZIBPZSA-N 0 0 428.517 5.298 50 0 IKAARN CCOc1ccc(-n2c(/C=C/c3ccccc3F)nc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000009489854 569540006 /nfs/dbraw/zinc/54/00/06/569540006.db2.gz WPDOYYGSOURSRN-NTEUORMPSA-N 0 0 446.478 5.111 50 0 IKAARN Cc1ccc(-n2c(/C=C/c3coc4ccc(Cl)cc4c3=O)nc3ccccc3c2=O)cc1 ZINC000009489850 569540009 /nfs/dbraw/zinc/54/00/09/569540009.db2.gz PWKQULFZCSOTTR-MDWZMJQESA-N 0 0 440.886 5.624 50 0 biogenic IKAARN COc1ccc(-n2c(/C=C/c3ccc(SC)cc3)nc3ccccc3c2=O)cc1Cl ZINC000009489852 569540016 /nfs/dbraw/zinc/54/00/16/569540016.db2.gz IKYFKTMGQYLCAZ-NTEUORMPSA-N 0 0 434.948 5.940 50 0 IKAARN Cn1cc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000009489805 569540023 /nfs/dbraw/zinc/54/00/23/569540023.db2.gz HHCHRZUFAKLVSL-OAQYLSRUSA-N 0 0 449.576 5.849 50 0 IKAARN O=C(Nc1ccc(-n2nncc2-c2ccc(Br)cc2)cc1)c1cccs1 ZINC000009489834 569540027 /nfs/dbraw/zinc/54/00/27/569540027.db2.gz NGKQXGLEDGIJCA-UHFFFAOYSA-N 0 0 425.311 5.011 50 0 IKAARN Cc1sc2ncn(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)c(=O)c2c1C ZINC000009490111 569540046 /nfs/dbraw/zinc/54/00/46/569540046.db2.gz JMZNYBPUIJDCIB-UHFFFAOYSA-N 0 0 439.924 5.159 50 0 IKAARN COc1ccc(-n2c(/C=C/c3cccc(OC)c3OC)nc3ccccc3c2=O)cc1Cl ZINC000009489905 569540054 /nfs/dbraw/zinc/54/00/54/569540054.db2.gz XNEUEXFTAYQWNU-SDNWHVSQSA-N 0 0 448.906 5.235 50 0 IKAARN COc1ccc(C(=O)N(c2nc3ccc(Cl)cc3s2)c2ccc(Cl)cc2)cc1 ZINC000009490127 569540060 /nfs/dbraw/zinc/54/00/60/569540060.db2.gz AWUOJJWLLGLVAC-UHFFFAOYSA-N 0 0 429.328 6.590 50 0 IKAARN CCOC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000009490425 569540157 /nfs/dbraw/zinc/54/01/57/569540157.db2.gz ZCVOZIVFJWOCMC-UHFFFAOYSA-N 0 0 443.952 5.221 50 0 IKAARN Cc1nc2cc(C(=O)NCc3ccc(C)cc3)ccc2n1-c1ccc(Br)cc1 ZINC000009490401 569540194 /nfs/dbraw/zinc/54/01/94/569540194.db2.gz VGPBTJYUEDWOQQ-UHFFFAOYSA-N 0 0 434.337 5.335 50 0 IKAARN Cc1nc2cc(C(=O)NCCc3ccccc3)ccc2n1-c1ccc(Br)cc1 ZINC000009490399 569540208 /nfs/dbraw/zinc/54/02/08/569540208.db2.gz SNLCCLJMWFIYDP-UHFFFAOYSA-N 0 0 434.337 5.069 50 0 IKAARN Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)ccc2n1-c1ccc(Br)cc1 ZINC000009490766 569540234 /nfs/dbraw/zinc/54/02/34/569540234.db2.gz KHLMXLDPTMYOCK-AUSJPIAWSA-N 0 0 440.385 5.651 50 0 IKAARN COc1ccc(-c2nnc(SCCCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000009491406 569540308 /nfs/dbraw/zinc/54/03/08/569540308.db2.gz IFAZIULRHGCHGQ-UHFFFAOYSA-N 0 0 433.327 5.263 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009491456 569540399 /nfs/dbraw/zinc/54/03/99/569540399.db2.gz SXPMZNQIJMSYNF-LAUBAEHRSA-N 0 0 444.560 5.202 50 0 IKAARN Cc1ccccc1-c1nnc(SCCCC(=O)c2ccc(Br)cc2)n1C ZINC000009491964 569540431 /nfs/dbraw/zinc/54/04/31/569540431.db2.gz SGYIICNAFOLCHO-UHFFFAOYSA-N 0 0 430.371 5.308 50 0 IKAARN Cn1ccnc1C(=O)c1cc(SCc2csc(-c3ccccc3)n2)nc2ccccc21 ZINC000009491928 569540462 /nfs/dbraw/zinc/54/04/62/569540462.db2.gz CCXIUBVIHYIKJT-UHFFFAOYSA-N 0 0 442.569 5.615 50 0 IKAARN Cn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009493238 569540680 /nfs/dbraw/zinc/54/06/80/569540680.db2.gz UCZZVORUFAWSBY-NRFANRHFSA-N 0 0 434.609 5.066 50 0 IKAARN Cn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009493237 569540710 /nfs/dbraw/zinc/54/07/10/569540710.db2.gz UCZZVORUFAWSBY-OAQYLSRUSA-N 0 0 434.609 5.066 50 0 IKAARN COc1ccc(CNC(=O)[C@@H](C)Sc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000009493431 569540739 /nfs/dbraw/zinc/54/07/39/569540739.db2.gz NSLICBPZQDCFHI-OAHLLOKOSA-N 0 0 435.574 5.164 50 0 IKAARN CCN(CC)C(=O)[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 ZINC000009494034 569540892 /nfs/dbraw/zinc/54/08/92/569540892.db2.gz QFVVEYSJLJWPQN-HNNXBMFYSA-N 0 0 442.894 5.103 50 0 IKAARN O=c1nc(SCc2nnc(-c3cccs3)o2)[nH]c2scc(-c3cccs3)c21 ZINC000009494859 569540907 /nfs/dbraw/zinc/54/09/07/569540907.db2.gz SERCPXAIFJHRQC-UHFFFAOYSA-N 0 0 430.561 5.117 50 0 IKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009494583 569540933 /nfs/dbraw/zinc/54/09/33/569540933.db2.gz XBGFRBUVXOHGPH-UHFFFAOYSA-N 0 0 436.515 5.155 50 0 IKAARN O=C(c1cccc2ccccc21)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000009495366 569541100 /nfs/dbraw/zinc/54/11/00/569541100.db2.gz DVTKBSKYZRYWCJ-RUZDIDTESA-N 0 0 428.438 5.302 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000009496695 569541193 /nfs/dbraw/zinc/54/11/93/569541193.db2.gz WAERNMHOLFRCIF-OAHLLOKOSA-N 0 0 438.940 5.359 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1Cl ZINC000009496487 569541200 /nfs/dbraw/zinc/54/12/00/569541200.db2.gz FZLMFGSVZPXMLY-QFIPXVFZSA-N 0 0 449.963 6.094 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CSc3ncnc4ccccc43)[C@@H](c3ccco3)C2)cc1 ZINC000009496552 569541230 /nfs/dbraw/zinc/54/12/30/569541230.db2.gz LUMSQAVXSSZILA-OAQYLSRUSA-N 0 0 428.517 5.001 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCc3nc(-c4ccsc4)no3)ccc2OC)cc1 ZINC000009498058 569541303 /nfs/dbraw/zinc/54/13/03/569541303.db2.gz OAYWWKGIAWRAIU-UHFFFAOYSA-N 0 0 435.505 5.054 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cc2)cs1 ZINC000009498252 569541344 /nfs/dbraw/zinc/54/13/44/569541344.db2.gz CTURXWMMLGLVOV-HXUWFJFHSA-N 0 0 447.585 5.160 50 0 IKAARN Clc1cccc(-c2noc(CSc3nnc(-c4ccco4)n3C3CCCCC3)n2)c1 ZINC000009498719 569541373 /nfs/dbraw/zinc/54/13/73/569541373.db2.gz AWLHCFXGMMGFNV-UHFFFAOYSA-N 0 0 441.944 6.039 50 0 IKAARN Cc1sc2nc(CSc3ccccc3)nc(NCc3c(C)cc(C)[nH]c3=O)c2c1C ZINC000009499907 569541517 /nfs/dbraw/zinc/54/15/17/569541517.db2.gz FTAMFXYNRBOVOG-UHFFFAOYSA-N 0 0 436.606 5.518 50 0 IKAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 ZINC000009500512 569541535 /nfs/dbraw/zinc/54/15/35/569541535.db2.gz QMQJHVVUCGGWPF-CQSZACIVSA-N 0 0 443.956 5.218 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1SCc1ccsc1 ZINC000009502121 569541685 /nfs/dbraw/zinc/54/16/85/569541685.db2.gz DKVNNPORMLAYOQ-UHFFFAOYSA-N 0 0 447.629 5.832 50 0 IKAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)OCCCO5)o3)cc2C1 ZINC000009503310 569541812 /nfs/dbraw/zinc/54/18/12/569541812.db2.gz SVEPGZJKNZBTDZ-CYBMUJFWSA-N 0 0 442.562 5.059 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC ZINC000009506740 569541830 /nfs/dbraw/zinc/54/18/30/569541830.db2.gz GJBDSFMJOLYIQI-CJNGLKHVSA-N 0 0 443.638 5.728 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N2CCCC2)n1C1CCCCC1 ZINC000009504009 569541852 /nfs/dbraw/zinc/54/18/52/569541852.db2.gz CHXOIRFLOQJZTJ-UHFFFAOYSA-N 0 0 449.020 5.039 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)Nc1cc(F)ccc1F ZINC000009507276 569542005 /nfs/dbraw/zinc/54/20/05/569542005.db2.gz ZNKOQPUOZJTBCA-UHFFFAOYSA-N 0 0 425.435 5.445 50 0 IKAARN COc1ccc2c(CC(=O)Nc3ccc(Br)cc3Br)coc2c1 ZINC000009507469 569542078 /nfs/dbraw/zinc/54/20/78/569542078.db2.gz FIOVRMDPQTWJCT-UHFFFAOYSA-N 0 0 439.103 5.148 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccnc2)c(C)c1 ZINC000009507757 569542149 /nfs/dbraw/zinc/54/21/49/569542149.db2.gz XNYYWKLEVJKESD-UHFFFAOYSA-N 0 0 434.952 5.575 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 ZINC000009507771 569542154 /nfs/dbraw/zinc/54/21/54/569542154.db2.gz JWWHFQUBTOWWSG-QHCPKHFHSA-N 0 0 444.560 5.447 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NCC1CCCCC1 ZINC000009508158 569542228 /nfs/dbraw/zinc/54/22/28/569542228.db2.gz BWWOTJJJXJTFLL-UHFFFAOYSA-N 0 0 444.988 5.028 50 0 IKAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)N1CCc2ccccc21 ZINC000009508185 569542243 /nfs/dbraw/zinc/54/22/43/569542243.db2.gz IYYUXPKPUPQWAV-UHFFFAOYSA-N 0 0 427.938 5.286 50 0 IKAARN CCc1ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cc(=O)oc2c1 ZINC000009508390 569542324 /nfs/dbraw/zinc/54/23/24/569542324.db2.gz OGANMNABYQSRSH-UHFFFAOYSA-N 0 0 430.432 5.299 50 0 IKAARN COc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCCC2)c1 ZINC000009509410 569542503 /nfs/dbraw/zinc/54/25/03/569542503.db2.gz PSQMDOKWUIOTFJ-MRXNPFEDSA-N 0 0 437.565 5.030 50 0 IKAARN Cc1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1-c1ccccc1C ZINC000009509351 569542531 /nfs/dbraw/zinc/54/25/31/569542531.db2.gz SPCPMLPYRGOGFB-KGLIPLIRSA-N 0 0 449.407 5.549 50 0 IKAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000009509297 569542536 /nfs/dbraw/zinc/54/25/36/569542536.db2.gz WNWHWEIWCYSSCK-HNNXBMFYSA-N 0 0 425.529 5.160 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)C(=O)N1CCCC1 ZINC000009509454 569542576 /nfs/dbraw/zinc/54/25/76/569542576.db2.gz FIFKJISUFRTIOQ-LJQANCHMSA-N 0 0 448.636 5.630 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000009509900 569542612 /nfs/dbraw/zinc/54/26/12/569542612.db2.gz SFXIWNYYMGUFTB-UHFFFAOYSA-N 0 0 449.967 5.081 50 0 IKAARN COc1ccc(Br)cc1CN(C)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000009512149 569542933 /nfs/dbraw/zinc/54/29/33/569542933.db2.gz QMWVSDWSIFQFAY-UHFFFAOYSA-N 0 0 443.341 5.012 50 0 IKAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)c1 ZINC000009512397 569542988 /nfs/dbraw/zinc/54/29/88/569542988.db2.gz HVGZKCYEEYWCPF-QHCPKHFHSA-N 0 0 444.560 5.116 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009513048 569543023 /nfs/dbraw/zinc/54/30/23/569543023.db2.gz XBRDXEHMORTGQB-QGZVFWFLSA-N 0 0 428.561 5.482 50 0 IKAARN O=C(CCCc1ccc(Br)s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009513424 569543075 /nfs/dbraw/zinc/54/30/75/569543075.db2.gz YRKXUTGFNZZKSL-HNNXBMFYSA-N 0 0 435.412 5.807 50 0 IKAARN Cc1ccc(-c2nnc(CCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)o2)cc1 ZINC000009513209 569543100 /nfs/dbraw/zinc/54/31/00/569543100.db2.gz UGTPLQNNFOTTQK-JOCHJYFZSA-N 0 0 435.574 5.275 50 0 IKAARN CC(C)[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 ZINC000009513460 569543114 /nfs/dbraw/zinc/54/31/14/569543114.db2.gz UXMXAWFPNRXGCK-OAQYLSRUSA-N 0 0 428.579 5.063 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(Br)cc2Cl)o1 ZINC000009514494 569543181 /nfs/dbraw/zinc/54/31/81/569543181.db2.gz WSUXAWSFPUIXDZ-UHFFFAOYSA-N 0 0 446.688 5.695 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3n[nH]c(-c4ccc(C)cc4)n3)cs2)cc1 ZINC000009514789 569543244 /nfs/dbraw/zinc/54/32/44/569543244.db2.gz UUQMULKQBIBDMJ-UHFFFAOYSA-N 0 0 435.578 5.019 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009516822 569543495 /nfs/dbraw/zinc/54/34/95/569543495.db2.gz PIVTVJYJGDLDEM-DEOSSOPVSA-N 0 0 449.620 5.759 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000009517988 569543863 /nfs/dbraw/zinc/54/38/63/569543863.db2.gz LUHJPBCOAZEUAC-UHFFFAOYSA-N 0 0 431.920 5.208 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 ZINC000009518376 569544015 /nfs/dbraw/zinc/54/40/15/569544015.db2.gz VYOFNNJQRKHXQY-UHFFFAOYSA-N 0 0 444.796 6.008 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OC ZINC000009518332 569544026 /nfs/dbraw/zinc/54/40/26/569544026.db2.gz WTEZVSRKALTSTB-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)c(C)c2)c1OC ZINC000009518401 569544058 /nfs/dbraw/zinc/54/40/58/569544058.db2.gz FLKFPWLKETUYIU-UHFFFAOYSA-N 0 0 444.487 5.571 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc3ccccc32)cc1C ZINC000009518410 569544073 /nfs/dbraw/zinc/54/40/73/569544073.db2.gz XNEJGGLIMMJUME-UHFFFAOYSA-N 0 0 448.522 6.636 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1OC ZINC000009518439 569544085 /nfs/dbraw/zinc/54/40/85/569544085.db2.gz GPEOIFGUBWPLIS-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1NC(=O)c1ccccc1Cl ZINC000009518468 569544086 /nfs/dbraw/zinc/54/40/86/569544086.db2.gz YKDZBFFFKZHYNR-UHFFFAOYSA-N 0 0 434.835 5.320 50 0 IKAARN O=C(CCCc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009518496 569544112 /nfs/dbraw/zinc/54/41/12/569544112.db2.gz YOWROLWCODAFCG-UHFFFAOYSA-N 0 0 442.471 5.375 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009518525 569544162 /nfs/dbraw/zinc/54/41/62/569544162.db2.gz JNFSXMYDXWBFMG-JLHYYAGUSA-N 0 0 440.455 5.108 50 0 IKAARN O=C1C2=C(CCCC2)[C@@H](Nc2ccc(OCc3ccccc3)cc2)N1Cc1ccc(F)cc1 ZINC000009520015 569544335 /nfs/dbraw/zinc/54/43/35/569544335.db2.gz QZKGCLOEOZFLFE-MHZLTWQESA-N 0 0 442.534 6.056 50 0 IKAARN COc1ccc([C@@H]2Nc3c(sc4nc(C5CC5)cc(-c5ccccc5)c43)C(=O)N2)cc1 ZINC000009524261 569544413 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CCOc1ccc(CCNc2nc(-c3ccc(OC)cc3)nc3ccccc32)cc1OCC ZINC000009527034 569544665 /nfs/dbraw/zinc/54/46/65/569544665.db2.gz RNAOCKXDSOQPOQ-UHFFFAOYSA-N 0 0 443.547 5.757 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCCC2)cc1 ZINC000009527929 569544733 /nfs/dbraw/zinc/54/47/33/569544733.db2.gz KCGNHOYJJRQTCK-UHFFFAOYSA-N 0 0 446.526 5.308 50 0 IKAARN CCOc1ccc(-c2cn(-c3ccc(C)cc3)c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000009529411 569544813 /nfs/dbraw/zinc/54/48/13/569544813.db2.gz ZSQYSTUEFGYKIR-UHFFFAOYSA-N 0 0 443.572 5.977 50 0 IKAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000009529378 569544820 /nfs/dbraw/zinc/54/48/20/569544820.db2.gz KAQZFKAFYSGRTN-UHFFFAOYSA-N 0 0 447.991 6.540 50 0 IKAARN Cc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(F)cc2)cc1 ZINC000009529357 569544821 /nfs/dbraw/zinc/54/48/21/569544821.db2.gz OMAHGLMQKIUCSE-UHFFFAOYSA-N 0 0 436.939 6.615 50 0 IKAARN Cc1ccc(-c2cn(-c3ccc(F)cc3)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000009529355 569544822 /nfs/dbraw/zinc/54/48/22/569544822.db2.gz OSDIFSJETNGYIZ-UHFFFAOYSA-N 0 0 435.499 5.857 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000009529450 569544828 /nfs/dbraw/zinc/54/48/28/569544828.db2.gz MDDWGBFAAOVKNZ-UHFFFAOYSA-N 0 0 443.572 5.977 50 0 IKAARN Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009529433 569544845 /nfs/dbraw/zinc/54/48/45/569544845.db2.gz ZQWQMAVIUUUUMG-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)cn2-c2ccccc2)c1 ZINC000009529453 569544853 /nfs/dbraw/zinc/54/48/53/569544853.db2.gz STFXTTGUQAEAJA-UHFFFAOYSA-N 0 0 443.528 5.307 50 0 IKAARN O=C(CSc1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1ccccc1F ZINC000009529455 569544854 /nfs/dbraw/zinc/54/48/54/569544854.db2.gz FZXGTVGTWCYITN-UHFFFAOYSA-N 0 0 447.491 5.138 50 0 IKAARN Cc1cccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009529367 569544860 /nfs/dbraw/zinc/54/48/60/569544860.db2.gz VBAAUBXVAAKRIO-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1Cc1cccnc1 ZINC000009530381 569545004 /nfs/dbraw/zinc/54/50/04/569545004.db2.gz JIRVTWAQGAHNKK-UHFFFAOYSA-N 0 0 429.570 5.655 50 0 IKAARN CSCC[C@H](Nc1ncnc2sc(-c3ccccc3)cc21)c1nnc2ccccn21 ZINC000009530648 569545009 /nfs/dbraw/zinc/54/50/09/569545009.db2.gz IOVZYJIHAQZKOP-KRWDZBQOSA-N 0 0 432.578 5.307 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1nc(-c2ccccc2)cs1 ZINC000009531450 569545115 /nfs/dbraw/zinc/54/51/15/569545115.db2.gz QQTAYWOOLFOHTB-UHFFFAOYSA-N 0 0 439.591 5.196 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(OC)cc3)c2C(=O)[O-])cc1 ZINC000009531523 569545147 /nfs/dbraw/zinc/54/51/47/569545147.db2.gz QFIRIUUNVAZBGE-UHFFFAOYSA-N 0 0 428.532 5.249 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000009531297 569545156 /nfs/dbraw/zinc/54/51/56/569545156.db2.gz MUCKECRIZRAIKH-TZIWHRDSSA-N 0 0 440.591 6.723 50 0 IKAARN CC(C)Oc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009531292 569545164 /nfs/dbraw/zinc/54/51/64/569545164.db2.gz AXTSWBHJDPSSQE-UHFFFAOYSA-N 0 0 446.522 5.604 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009532007 569545236 /nfs/dbraw/zinc/54/52/36/569545236.db2.gz HIECZOCDEIMPPP-YGKZAACZSA-N 0 0 438.543 5.450 50 0 IKAARN COc1ccc2c(C[NH2+]CCCc3ccccc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532491 569545292 /nfs/dbraw/zinc/54/52/92/569545292.db2.gz BXEZVJATWDWPJU-UHFFFAOYSA-N 0 0 446.522 5.258 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+]Cc1cccc(OC)c1 ZINC000009532389 569545329 /nfs/dbraw/zinc/54/53/29/569545329.db2.gz AFCOFZSRLVKPBX-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009532618 569545335 /nfs/dbraw/zinc/54/53/35/569545335.db2.gz IBTPMRMCNOYCSW-UHFFFAOYSA-N 0 0 428.532 5.249 50 0 IKAARN COc1ccc2c(C[NH2+]CCC3=CCCCC3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532538 569545347 /nfs/dbraw/zinc/54/53/47/569545347.db2.gz FABNFQSGHZCJQE-UHFFFAOYSA-N 0 0 436.527 5.516 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccccc1)c(C(=O)[O-])c2C[NH2+]CCc1ccccc1C ZINC000009532624 569545352 /nfs/dbraw/zinc/54/53/52/569545352.db2.gz TVHDPTGIXODQQD-UHFFFAOYSA-N 0 0 428.532 5.037 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009532620 569545369 /nfs/dbraw/zinc/54/53/69/569545369.db2.gz RDGXFHUALAMPMK-UHFFFAOYSA-N 0 0 444.531 5.085 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccccc2)c1C(=O)[O-] ZINC000009532926 569545401 /nfs/dbraw/zinc/54/54/01/569545401.db2.gz OKGBKGRPJNEDNZ-UHFFFAOYSA-N 0 0 428.532 5.385 50 0 IKAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000009533776 569545426 /nfs/dbraw/zinc/54/54/26/569545426.db2.gz IVXPOKCNCMWZAR-UHFFFAOYSA-N 0 0 443.572 5.180 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009532943 569545432 /nfs/dbraw/zinc/54/54/32/569545432.db2.gz KDPRYIKKTVNYSQ-UHFFFAOYSA-N 0 0 428.532 5.385 50 0 IKAARN Cc1ccc(C)c(-c2nn([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)c(=O)c3ccccc32)c1 ZINC000009535136 569545522 /nfs/dbraw/zinc/54/55/22/569545522.db2.gz RNDVDWSQZYBRSK-WOJBJXKFSA-N 0 0 437.543 5.219 50 0 IKAARN Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)c(=O)c3ccccc32)c1 ZINC000009535132 569545564 /nfs/dbraw/zinc/54/55/64/569545564.db2.gz RNDVDWSQZYBRSK-UXHICEINSA-N 0 0 437.543 5.219 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4N4CCCC4=O)cc3)o2)cc1 ZINC000009536435 569545612 /nfs/dbraw/zinc/54/56/12/569545612.db2.gz JOOCECQQTSRYAS-UHFFFAOYSA-N 0 0 438.487 5.091 50 0 IKAARN Cc1[nH]c2ccccc2c1-c1csc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC000009536828 569545623 /nfs/dbraw/zinc/54/56/23/569545623.db2.gz BPLYJGVWNYDBHQ-UHFFFAOYSA-N 0 0 432.593 5.596 50 0 IKAARN CCc1ccc2nc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)sc2c1 ZINC000009540747 569545828 /nfs/dbraw/zinc/54/58/28/569545828.db2.gz ZCYAHWROOVOJJJ-UHFFFAOYSA-N 0 0 441.600 5.339 50 0 IKAARN CCc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc21 ZINC000009542570 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O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1c(F)cccc1F ZINC000009545871 569546198 /nfs/dbraw/zinc/54/61/98/569546198.db2.gz CLLPRWITGLTISJ-UHFFFAOYSA-N 0 0 434.471 5.215 50 0 IKAARN CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1 ZINC000009545894 569546224 /nfs/dbraw/zinc/54/62/24/569546224.db2.gz XJAKXXZMADIQPZ-JOCHJYFZSA-N 0 0 444.560 5.446 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc21 ZINC000009546659 569546304 /nfs/dbraw/zinc/54/63/04/569546304.db2.gz SUFDSFSFXRWWCA-HNNXBMFYSA-N 0 0 434.590 5.464 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc21 ZINC000009546660 569546312 /nfs/dbraw/zinc/54/63/12/569546312.db2.gz SUFDSFSFXRWWCA-OAHLLOKOSA-N 0 0 434.590 5.464 50 0 IKAARN COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)o2)cc1 ZINC000009546819 569546319 /nfs/dbraw/zinc/54/63/19/569546319.db2.gz SIJUHWUZNCOCAL-UHFFFAOYSA-N 0 0 437.565 5.127 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(Cc4ccccc4)o3)cs2)cc1OC ZINC000009546935 569546363 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/nfs/dbraw/zinc/55/40/72/569554072.db2.gz RZXVTLYMYCZNMP-UHFFFAOYSA-N 0 0 429.420 5.120 50 0 IKAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccccc1C(F)(F)F ZINC000009632988 569554144 /nfs/dbraw/zinc/55/41/44/569554144.db2.gz GIOGQXMMPUROJM-UHFFFAOYSA-N 0 0 425.834 5.353 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000009633051 569554161 /nfs/dbraw/zinc/55/41/61/569554161.db2.gz JCKAOPNYZSUTIO-UHFFFAOYSA-N 0 0 426.545 5.553 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000009633040 569554170 /nfs/dbraw/zinc/55/41/70/569554170.db2.gz ZUYHLYWBIYSEHL-UHFFFAOYSA-N 0 0 428.489 5.005 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000009633055 569554173 /nfs/dbraw/zinc/55/41/73/569554173.db2.gz IDEXNYXVVBOJMY-UHFFFAOYSA-N 0 0 425.513 5.150 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009633036 569554199 /nfs/dbraw/zinc/55/41/99/569554199.db2.gz FFNJGCQFVHWUJG-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1C ZINC000009633252 569554234 /nfs/dbraw/zinc/55/42/34/569554234.db2.gz YFMBAUKOPHVGRR-UHFFFAOYSA-N 0 0 440.883 5.075 50 0 IKAARN Cc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2ccncc2)cc1C ZINC000009633603 569554295 /nfs/dbraw/zinc/55/42/95/569554295.db2.gz LLICQDORLFJJHA-UHFFFAOYSA-N 0 0 429.574 5.848 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C ZINC000009633994 569554408 /nfs/dbraw/zinc/55/44/08/569554408.db2.gz LPPBVHYHLYLERZ-UHFFFAOYSA-N 0 0 445.953 5.727 50 0 IKAARN O=C(COc1ccc(Cl)c2cccnc12)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000009634379 569554453 /nfs/dbraw/zinc/55/44/53/569554453.db2.gz FWKKDOLATGSASI-QGZVFWFLSA-N 0 0 437.908 5.299 50 0 IKAARN COc1cccc(CNC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 ZINC000009635093 569554544 /nfs/dbraw/zinc/55/45/44/569554544.db2.gz GFYCVIUBLKJKSD-UHFFFAOYSA-N 0 0 441.603 5.284 50 0 IKAARN COc1cccc(CN(C)C(=O)c2ccccc2SCc2ccccc2F)c1OC ZINC000009635053 569554566 /nfs/dbraw/zinc/55/45/66/569554566.db2.gz JBEFDGYUQMREJY-UHFFFAOYSA-N 0 0 425.525 5.407 50 0 IKAARN COc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)n2-c2cccc(C)c2)c1 ZINC000009635800 569554657 /nfs/dbraw/zinc/55/46/57/569554657.db2.gz RMEMXSOLBAKKEW-UHFFFAOYSA-N 0 0 443.572 5.896 50 0 IKAARN Cc1cc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccccc12 ZINC000009635449 569554675 /nfs/dbraw/zinc/55/46/75/569554675.db2.gz JANOJGCKNNDEPP-NRFANRHFSA-N 0 0 434.561 5.160 50 0 IKAARN COc1cc(OC)c(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1Cl ZINC000009638273 569554970 /nfs/dbraw/zinc/55/49/70/569554970.db2.gz UIWOBUCHBIHHSX-FQEVSTJZSA-N 0 0 430.291 5.177 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000009639191 569555136 /nfs/dbraw/zinc/55/51/36/569555136.db2.gz NYEHPOVRHVCRFT-MRXNPFEDSA-N 0 0 430.533 5.103 50 0 IKAARN COC(=O)c1c(SCc2ccc(C)cc2)nc2ccccc2c1OCc1ccc(C)cc1 ZINC000009640107 569555347 /nfs/dbraw/zinc/55/53/47/569555347.db2.gz GIXRXMBUMXNOTN-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN COC(=O)c1c(SCc2ccc(F)cc2)nc2ccccc2c1OCc1cccc(C)c1 ZINC000009640308 569555428 /nfs/dbraw/zinc/55/54/28/569555428.db2.gz DEPFDGUFBWZUPD-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN CCc1ccccc1OCCSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n21 ZINC000009641377 569555613 /nfs/dbraw/zinc/55/56/13/569555613.db2.gz UQNSJLHHLDYEJJ-UHFFFAOYSA-N 0 0 448.592 5.116 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000009642707 569555846 /nfs/dbraw/zinc/55/58/46/569555846.db2.gz ZLSZFIBGBJGORI-UHFFFAOYSA-N 0 0 445.588 5.713 50 0 IKAARN Cn1ccnc1S[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000009642457 569555874 /nfs/dbraw/zinc/55/58/74/569555874.db2.gz KKKDAFALEXSFMR-INIZCTEOSA-N 0 0 425.863 5.564 50 0 IKAARN Cc1ccc(C(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccc(C)cc2)cc1 ZINC000009644269 569555993 /nfs/dbraw/zinc/55/59/93/569555993.db2.gz LMHJUELXOQXHBR-QHCPKHFHSA-N 0 0 433.602 5.801 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccco3)nc2-c2ccc(C)cc2)cc1 ZINC000009646079 569556203 /nfs/dbraw/zinc/55/62/03/569556203.db2.gz IUTNJSKSVCBZTG-SFHVURJKSA-N 0 0 444.560 5.385 50 0 IKAARN COc1ccc(Br)cc1-c1nc(CSc2ccc(NC(C)=O)cc2)cs1 ZINC000009647085 569556395 /nfs/dbraw/zinc/55/63/95/569556395.db2.gz XNCRGGOCJGBBLF-UHFFFAOYSA-N 0 0 449.395 5.832 50 0 IKAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 ZINC000009646922 569556403 /nfs/dbraw/zinc/55/64/03/569556403.db2.gz FHEPPNOQTRGRQR-UHFFFAOYSA-N 0 0 441.380 5.037 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3o2)cc1 ZINC000009660250 569556758 /nfs/dbraw/zinc/55/67/58/569556758.db2.gz DUUAAJKZPIOTKF-UHFFFAOYSA-N 0 0 445.471 5.128 50 0 biogenic IKAARN C[C@@H]1Sc2nnc(Cc3cccc4ccccc43)n2N=C1c1ccc(OC(F)F)cc1 ZINC000009662414 569557124 /nfs/dbraw/zinc/55/71/24/569557124.db2.gz SMPNZSGRXWMGBF-AWEZNQCLSA-N 0 0 436.487 5.370 50 0 IKAARN O=C1N(Cc2ccccc2Cl)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1 ZINC000009663977 569557334 /nfs/dbraw/zinc/55/73/34/569557334.db2.gz BDIBQVODHSGHFM-UHFFFAOYSA-N 0 0 433.316 5.329 50 0 IKAARN CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009664603 569557437 /nfs/dbraw/zinc/55/74/37/569557437.db2.gz UGUCVWJYMJZEJK-NRFANRHFSA-N 0 0 432.524 5.576 50 0 IKAARN CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(C)n1 ZINC000009664638 569557474 /nfs/dbraw/zinc/55/74/74/569557474.db2.gz CXUQEDCUSYJYSZ-HXUWFJFHSA-N 0 0 429.636 5.045 50 0 IKAARN Cc1cc(NC(=O)CSc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)no1 ZINC000009666180 569557686 /nfs/dbraw/zinc/55/76/86/569557686.db2.gz HIFIJIZLURLYCG-UHFFFAOYSA-N 0 0 439.522 5.101 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000009667350 569557828 /nfs/dbraw/zinc/55/78/28/569557828.db2.gz QRZPGJASZKCOJW-MHZLTWQESA-N 0 0 434.495 6.182 50 0 IKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c3ccccc3n(C)c2-c2ccccc2)o1 ZINC000009668381 569557901 /nfs/dbraw/zinc/55/79/01/569557901.db2.gz XXRMBWRHOPERQT-MUUNZHRXSA-N 0 0 432.523 6.492 50 0 IKAARN CCN(CC)C(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 ZINC000009668564 569557968 /nfs/dbraw/zinc/55/79/68/569557968.db2.gz CCEJNJSGPHPNSV-LYBHJNIJSA-N 0 0 428.532 5.357 50 0 IKAARN CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009669441 569558023 /nfs/dbraw/zinc/55/80/23/569558023.db2.gz LGXUQDKAVDDYDM-SFHVURJKSA-N 0 0 447.391 5.384 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 ZINC000009669496 569558027 /nfs/dbraw/zinc/55/80/27/569558027.db2.gz QQBBXTLAYYJSKK-QHCPKHFHSA-N 0 0 444.560 5.053 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000009669420 569558044 /nfs/dbraw/zinc/55/80/44/569558044.db2.gz KCUIOQAOFITILK-HSZRJFAPSA-N 0 0 444.560 5.365 50 0 IKAARN Clc1ccccc1-c1noc(CSc2nnc(-c3ccco3)n2C2CCCCC2)n1 ZINC000009669357 569558070 /nfs/dbraw/zinc/55/80/70/569558070.db2.gz IYIHQUWHNHAKGK-UHFFFAOYSA-N 0 0 441.944 6.039 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 ZINC000009669584 569558082 /nfs/dbraw/zinc/55/80/82/569558082.db2.gz GQYQKUFDPQLZDL-QHCPKHFHSA-N 0 0 432.520 5.606 50 0 IKAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009669692 569558120 /nfs/dbraw/zinc/55/81/20/569558120.db2.gz GDLVVNKURMAOJZ-QFIPXVFZSA-N 0 0 442.540 5.270 50 0 IKAARN O=C(CCC(=O)c1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009669962 569558191 /nfs/dbraw/zinc/55/81/91/569558191.db2.gz ZCUSKXPHUGQLNX-UHFFFAOYSA-N 0 0 446.450 5.621 50 0 IKAARN Cc1c(-c2ccccc2)sc(NC(=O)COc2ccccc2)c1C(=O)N1CCCCC1 ZINC000009670198 569558302 /nfs/dbraw/zinc/55/83/02/569558302.db2.gz ZQUWOBSCRUFUKU-UHFFFAOYSA-N 0 0 434.561 5.367 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000009671065 569558506 /nfs/dbraw/zinc/55/85/06/569558506.db2.gz CNEHUZYMIFOLQS-UHFFFAOYSA-N 0 0 445.953 5.734 50 0 IKAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1nc(-c2ccccc2)cs1 ZINC000009671751 569558619 /nfs/dbraw/zinc/55/86/19/569558619.db2.gz GCHHIJFKSMRUOQ-UHFFFAOYSA-N 0 0 427.938 5.047 50 0 IKAARN COc1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)ccc2c1 ZINC000009672298 569558790 /nfs/dbraw/zinc/55/87/90/569558790.db2.gz BQWKCMZQBXEWHQ-UHFFFAOYSA-N 0 0 446.528 5.210 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000009672272 569558821 /nfs/dbraw/zinc/55/88/21/569558821.db2.gz BGGMBNPZOCTFMO-IBGZPJMESA-N 0 0 431.458 5.208 50 0 IKAARN COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)s2)cc1 ZINC000009672655 569558845 /nfs/dbraw/zinc/55/88/45/569558845.db2.gz UVNGRQOXLUHPEH-UHFFFAOYSA-N 0 0 428.583 5.319 50 0 IKAARN COc1cc(CSc2nnc(C3CC3)n2-c2ccccc2)c(OC)cc1Br ZINC000009672672 569558867 /nfs/dbraw/zinc/55/88/67/569558867.db2.gz KVRGWRXANSXOLQ-UHFFFAOYSA-N 0 0 446.370 5.217 50 0 IKAARN COc1ccc(CC(=O)NCCSc2c3ccccc3[nH]c2-c2ccccc2)cc1OC ZINC000009673300 569558929 /nfs/dbraw/zinc/55/89/29/569558929.db2.gz LTXFQTKIFDWESV-UHFFFAOYSA-N 0 0 446.572 5.303 50 0 IKAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)NCc1ccc(F)cc1 ZINC000009674050 569559045 /nfs/dbraw/zinc/55/90/45/569559045.db2.gz JCPTWZDFSSSLQV-UHFFFAOYSA-N 0 0 431.511 5.068 50 0 IKAARN CCOc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 ZINC000009674137 569559067 /nfs/dbraw/zinc/55/90/67/569559067.db2.gz ZGOPWHWTXAWJFJ-UHFFFAOYSA-N 0 0 436.562 5.330 50 0 IKAARN CCc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000009674117 569559074 /nfs/dbraw/zinc/55/90/74/569559074.db2.gz NHOMIHUBBNLIEG-UHFFFAOYSA-N 0 0 435.524 5.447 50 0 IKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000009676010 569559356 /nfs/dbraw/zinc/55/93/56/569559356.db2.gz PQAOHKAAAKXWJC-UHFFFAOYSA-N 0 0 442.708 7.340 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000009676041 569559362 /nfs/dbraw/zinc/55/93/62/569559362.db2.gz HCZIADPLDHUMSY-UHFFFAOYSA-N 0 0 429.451 5.406 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(C)cc4c32)cc1 ZINC000009676092 569559366 /nfs/dbraw/zinc/55/93/66/569559366.db2.gz MZOBQDUJFKMMDW-UHFFFAOYSA-N 0 0 428.333 6.620 50 0 IKAARN CCc1ccccc1-n1nc(-c2ccccc2)c2cnc3ccc(Br)cc3c21 ZINC000009675966 569559369 /nfs/dbraw/zinc/55/93/69/569559369.db2.gz BWULBBISFPKRHA-UHFFFAOYSA-N 0 0 428.333 6.566 50 0 IKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000009675978 569559375 /nfs/dbraw/zinc/55/93/75/569559375.db2.gz BXNBZJGAUVGKPE-UHFFFAOYSA-N 0 0 431.854 5.804 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 ZINC000009675982 569559385 /nfs/dbraw/zinc/55/93/85/569559385.db2.gz VKQMPURJRZHJEA-UHFFFAOYSA-N 0 0 435.571 7.245 50 0 IKAARN Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cc(Cl)ccc4Cl)c3c2c1 ZINC000009676076 569559391 /nfs/dbraw/zinc/55/93/91/569559391.db2.gz JWVNNMKYUHQKSK-UHFFFAOYSA-N 0 0 438.745 7.509 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc32)cc1OC ZINC000009676048 569559392 /nfs/dbraw/zinc/55/93/92/569559392.db2.gz RRZLDQSXDQIVHW-UHFFFAOYSA-N 0 0 427.479 6.014 50 0 IKAARN CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000009675937 569559393 /nfs/dbraw/zinc/55/93/93/569559393.db2.gz YDFFIRGLQOSZJV-UHFFFAOYSA-N 0 0 441.918 6.379 50 0 IKAARN CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(CC)cc32)cc1 ZINC000009676132 569559418 /nfs/dbraw/zinc/55/94/18/569559418.db2.gz HZPHNLNOBQRXEA-UHFFFAOYSA-N 0 0 427.935 6.855 50 0 IKAARN CCc1ccc2ncc3c(-c4cccc(Br)c4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000009676137 569559420 /nfs/dbraw/zinc/55/94/20/569559420.db2.gz QNYIUNYDNASPAQ-UHFFFAOYSA-N 0 0 442.360 6.874 50 0 IKAARN Fc1ccc(CSC[C@H]2COC(c3cccn3Cc3ccc(F)cc3Cl)=N2)cc1 ZINC000009676199 569559444 /nfs/dbraw/zinc/55/94/44/569559444.db2.gz VSFJADVFLFABFP-LJQANCHMSA-N 0 0 432.923 5.547 50 0 IKAARN CSc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000009678955 569559623 /nfs/dbraw/zinc/55/96/23/569559623.db2.gz CTFGZMUMPZIDDY-SDNWHVSQSA-N 0 0 448.613 6.091 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679225 569559702 /nfs/dbraw/zinc/55/97/02/569559702.db2.gz IVUFUJMCXXTDNG-XMMPIXPASA-N 0 0 441.462 5.142 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679224 569559706 /nfs/dbraw/zinc/55/97/06/569559706.db2.gz IUGRTPYXTHQKBI-DEOSSOPVSA-N 0 0 441.462 5.142 50 0 IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679135 569559725 /nfs/dbraw/zinc/55/97/25/569559725.db2.gz MRWGWXFLRPJZGN-HSZRJFAPSA-N 0 0 434.326 6.442 50 0 IKAARN COc1cccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000009679133 569559729 /nfs/dbraw/zinc/55/97/29/569559729.db2.gz KCJCWNAADMSRTI-XMMPIXPASA-N 0 0 429.907 5.797 50 0 IKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679127 569559752 /nfs/dbraw/zinc/55/97/52/569559752.db2.gz FHNLYKWOWYHPGB-XMMPIXPASA-N 0 0 429.907 5.797 50 0 IKAARN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000009678998 569559769 /nfs/dbraw/zinc/55/97/69/569559769.db2.gz IBAJMGGJOCFEFC-DEOSSOPVSA-N 0 0 429.907 5.797 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679574 569559890 /nfs/dbraw/zinc/55/98/90/569559890.db2.gz BWKNJTTYDQAHRI-JOCHJYFZSA-N 0 0 447.491 5.204 50 0 IKAARN COc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1OC ZINC000009680534 569560052 /nfs/dbraw/zinc/56/00/52/569560052.db2.gz RAERCKKJRQVVEU-CBGDNZLLSA-N 0 0 433.552 5.550 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)c(OC)c1 ZINC000009680601 569560056 /nfs/dbraw/zinc/56/00/56/569560056.db2.gz FYZXYZSZEVBLQW-UHFFFAOYSA-N 0 0 447.922 5.579 50 0 IKAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Nc3cc(C)cc(C)c3)nc3ccccc32)C1 ZINC000009680833 569560159 /nfs/dbraw/zinc/56/01/59/569560159.db2.gz XZMWVHREFVUTSZ-IBGZPJMESA-N 0 0 431.536 5.011 50 0 IKAARN COc1ccc(OC)c(Nc2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)c1 ZINC000009680797 569560193 /nfs/dbraw/zinc/56/01/93/569560193.db2.gz FUZKLXUNSIMFGL-KRWDZBQOSA-N 0 0 427.504 5.487 50 0 IKAARN CC(C)c1ccc(Nc2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000009680858 569560196 /nfs/dbraw/zinc/56/01/96/569560196.db2.gz PKUQIKYBNDSVJC-UHFFFAOYSA-N 0 0 429.951 6.685 50 0 IKAARN CCn1cc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCCC2)c2ccccc21 ZINC000009680983 569560237 /nfs/dbraw/zinc/56/02/37/569560237.db2.gz VAEYAOXQILSCFM-UHFFFAOYSA-N 0 0 444.406 7.335 50 0 IKAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1Br ZINC000009681104 569560246 /nfs/dbraw/zinc/56/02/46/569560246.db2.gz VNBHLFAVAYUDAC-OAQYLSRUSA-N 0 0 441.756 6.178 50 0 IKAARN O=C1c2ccccc2[C@H](Nc2ccccc2Br)N1Cc1ccccc1Cl ZINC000009681065 569560257 /nfs/dbraw/zinc/56/02/57/569560257.db2.gz JWQILDPXPNUKKW-HXUWFJFHSA-N 0 0 427.729 5.869 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc4c(s3)c3ccccc3[nH]c4=O)ccc21 ZINC000009681681 569560261 /nfs/dbraw/zinc/56/02/61/569560261.db2.gz ZLYOWWYSHZPGNP-UHFFFAOYSA-N 0 0 437.524 6.123 50 0 IKAARN CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009684664 569560584 /nfs/dbraw/zinc/56/05/84/569560584.db2.gz LVBQCQVMJHDCAD-QGZVFWFLSA-N 0 0 435.380 5.193 50 0 IKAARN CCc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@H]1C)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685818 569560689 /nfs/dbraw/zinc/56/06/89/569560689.db2.gz IVXZHSUBVLNSNR-OAHLLOKOSA-N 0 0 436.577 5.025 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CCCN1c2ccccc2Sc2ncccc2C1=O ZINC000009687729 569560810 /nfs/dbraw/zinc/56/08/10/569560810.db2.gz PYZWLEQEDGCYSS-UHFFFAOYSA-N 0 0 437.952 5.574 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CCCN1c2ccccc2Sc2ncccc2C1=O ZINC000009687731 569560860 /nfs/dbraw/zinc/56/08/60/569560860.db2.gz XQCFVYKMCXAWIN-UHFFFAOYSA-N 0 0 437.952 5.574 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000009693079 569561112 /nfs/dbraw/zinc/56/11/12/569561112.db2.gz TUBKZSZXNAWIDF-UHFFFAOYSA-N 0 0 429.904 5.664 50 0 IKAARN CCOc1ccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)cc1 ZINC000009693733 569561129 /nfs/dbraw/zinc/56/11/29/569561129.db2.gz LBWWGSQGPRFDID-UHFFFAOYSA-N 0 0 426.969 5.897 50 0 IKAARN O=C(CSc1c2c(nc3ccccc31)CCC2)Nc1ccc(Oc2ccccc2)cc1 ZINC000009693721 569561132 /nfs/dbraw/zinc/56/11/32/569561132.db2.gz HIQYQRCGSIANRV-UHFFFAOYSA-N 0 0 426.541 6.247 50 0 IKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1ccc2c(c1)OCCO2 ZINC000009693730 569561137 /nfs/dbraw/zinc/56/11/37/569561137.db2.gz KHHIOJLIAUMGRC-UHFFFAOYSA-N 0 0 440.952 5.269 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)c1ccc(Cl)cc1n(C)c2=O ZINC000009693033 569561144 /nfs/dbraw/zinc/56/11/44/569561144.db2.gz KSTXLILZAQSTMC-UHFFFAOYSA-N 0 0 433.316 5.321 50 0 IKAARN CSc1cccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c1 ZINC000009693755 569561170 /nfs/dbraw/zinc/56/11/70/569561170.db2.gz BYSXIUDRANYQEG-UHFFFAOYSA-N 0 0 429.010 6.220 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COc3cc(=O)n(CC)c4ccccc34)ccc21 ZINC000009694066 569561183 /nfs/dbraw/zinc/56/11/83/569561183.db2.gz LNZAYYZOIVDGIN-UHFFFAOYSA-N 0 0 439.515 5.167 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000009703318 569561313 /nfs/dbraw/zinc/56/13/13/569561313.db2.gz PJYWXGJFYZJYAW-UHFFFAOYSA-N 0 0 437.999 5.446 50 0 IKAARN CN(C)C(=S)S[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000009703493 569561380 /nfs/dbraw/zinc/56/13/80/569561380.db2.gz HJOIJOGYGMSWSD-HNNXBMFYSA-N 0 0 432.920 5.618 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000009707761 569561676 /nfs/dbraw/zinc/56/16/76/569561676.db2.gz SEQUIIBFPXZBFB-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-n1cccc1 ZINC000009707885 569561715 /nfs/dbraw/zinc/56/17/15/569561715.db2.gz QUXCAMVMTYDGAQ-UHFFFAOYSA-N 0 0 437.956 5.059 50 0 IKAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(=O)OC(C)(C)C)cc43)oc21 ZINC000009708079 569561829 /nfs/dbraw/zinc/56/18/29/569561829.db2.gz PWAPWMZUOFLEER-UHFFFAOYSA-N 0 0 436.460 5.244 50 0 biogenic IKAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000009708239 569561835 /nfs/dbraw/zinc/56/18/35/569561835.db2.gz UEMFWPKSSPHSSJ-LJQANCHMSA-N 0 0 427.367 5.044 50 0 IKAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000009708238 569561842 /nfs/dbraw/zinc/56/18/42/569561842.db2.gz UEMFWPKSSPHSSJ-IBGZPJMESA-N 0 0 427.367 5.044 50 0 IKAARN COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3cccc(F)c3)nc21 ZINC000009708975 569561957 /nfs/dbraw/zinc/56/19/57/569561957.db2.gz XQDKZAJEAMXJFI-UHFFFAOYSA-N 0 0 427.888 5.339 50 0 IKAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000009710040 569561981 /nfs/dbraw/zinc/56/19/81/569561981.db2.gz CYPWOLWRLLVCBI-QFIPXVFZSA-N 0 0 427.533 5.147 50 0 IKAARN Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)s1 ZINC000009712299 569562278 /nfs/dbraw/zinc/56/22/78/569562278.db2.gz DQIIOJMXBFPATJ-UHFFFAOYSA-N 0 0 429.549 5.356 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009712484 569562284 /nfs/dbraw/zinc/56/22/84/569562284.db2.gz VUTBOYDCUBYUHI-INIZCTEOSA-N 0 0 437.565 5.887 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000009712553 569562296 /nfs/dbraw/zinc/56/22/96/569562296.db2.gz KMXBKLAJAGLHEO-HSZRJFAPSA-N 0 0 448.519 5.009 50 0 IKAARN CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)c1 ZINC000009712727 569562331 /nfs/dbraw/zinc/56/23/31/569562331.db2.gz FZQFBWRYJGGIMI-UHFFFAOYSA-N 0 0 448.569 5.057 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000009712554 569562345 /nfs/dbraw/zinc/56/23/45/569562345.db2.gz KMXBKLAJAGLHEO-QHCPKHFHSA-N 0 0 448.519 5.009 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000009712761 569562357 /nfs/dbraw/zinc/56/23/57/569562357.db2.gz QQMLAEJECQBIGD-UHFFFAOYSA-N 0 0 434.542 5.133 50 0 IKAARN Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)s1 ZINC000009713058 569562426 /nfs/dbraw/zinc/56/24/26/569562426.db2.gz SHNXIUSDBJSNQV-UHFFFAOYSA-N 0 0 429.549 5.356 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc12 ZINC000009713057 569562438 /nfs/dbraw/zinc/56/24/38/569562438.db2.gz DPKWRQABRYVRFT-UHFFFAOYSA-N 0 0 444.560 5.142 50 0 IKAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 ZINC000009713156 569562495 /nfs/dbraw/zinc/56/24/95/569562495.db2.gz KDLFYQBGMUJOCB-JOCHJYFZSA-N 0 0 430.504 5.026 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=S)Nc2ccccc2)c1 ZINC000009713656 569562664 /nfs/dbraw/zinc/56/26/64/569562664.db2.gz KNPCDOWMAOWIFS-UHFFFAOYSA-N 0 0 445.997 5.364 50 0 IKAARN O=C(NCCSc1nc(-c2ccc(Cl)cc2)c[nH]1)c1cccc(Br)c1 ZINC000009713864 569562683 /nfs/dbraw/zinc/56/26/83/569562683.db2.gz ALRFFQQEBGXCAR-UHFFFAOYSA-N 0 0 436.762 5.015 50 0 IKAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCCOc1ccc(F)cc1 ZINC000009713957 569562698 /nfs/dbraw/zinc/56/26/98/569562698.db2.gz HKHDUNDPSDLAOK-UHFFFAOYSA-N 0 0 446.598 5.510 50 0 IKAARN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000009714329 569562744 /nfs/dbraw/zinc/56/27/44/569562744.db2.gz XTNRXMSYNJBJHA-UHFFFAOYSA-N 0 0 445.588 5.127 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)n1C1CC1 ZINC000009714216 569562782 /nfs/dbraw/zinc/56/27/82/569562782.db2.gz PKPQSFBBCMKYJA-GOSISDBHSA-N 0 0 433.364 5.700 50 0 IKAARN CCOc1ccccc1NCc1nn2cc(-c3ccc(OC)c(OC)c3)c3c2n1CCCC3 ZINC000009715197 569563063 /nfs/dbraw/zinc/56/30/63/569563063.db2.gz BZODIVKDAKIKMW-UHFFFAOYSA-N 0 0 446.551 5.167 50 0 IKAARN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3OC(F)F)n12 ZINC000009716125 569563163 /nfs/dbraw/zinc/56/31/63/569563163.db2.gz SWCWFLKAYTZMOJ-UHFFFAOYSA-N 0 0 442.491 5.140 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009715960 569563176 /nfs/dbraw/zinc/56/31/76/569563176.db2.gz BIGOJTPKELOHIQ-UHFFFAOYSA-N 0 0 443.543 5.960 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2nc(-c3ccccc3)oc2C)cs1)c1ccccc1 ZINC000009717640 569563283 /nfs/dbraw/zinc/56/32/83/569563283.db2.gz HROMITWHDHDIRB-UHFFFAOYSA-N 0 0 433.489 5.148 50 0 IKAARN Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccc(Br)cc2F)c1 ZINC000009722806 569563501 /nfs/dbraw/zinc/56/35/01/569563501.db2.gz IPMWUPLOJRYCHK-UHFFFAOYSA-N 0 0 430.321 5.377 50 0 IKAARN Cc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccc(Br)cc2F)c(C)c1 ZINC000009723139 569563554 /nfs/dbraw/zinc/56/35/54/569563554.db2.gz VATMWQFCMWIPGX-UHFFFAOYSA-N 0 0 444.348 5.685 50 0 IKAARN Cc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2Br)c(C)c1 ZINC000009723122 569563562 /nfs/dbraw/zinc/56/35/62/569563562.db2.gz JWTGUIGQANGHJB-UHFFFAOYSA-N 0 0 426.358 5.546 50 0 IKAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009723890 569563585 /nfs/dbraw/zinc/56/35/85/569563585.db2.gz KUVMNNVQVOKCNU-UHFFFAOYSA-N 0 0 447.539 5.115 50 0 IKAARN Cc1cccc(COc2ccc(/C=C3\N=C(c4cccc(Br)c4)OC3=O)cc2)c1 ZINC000009724224 569563667 /nfs/dbraw/zinc/56/36/67/569563667.db2.gz ACVQHEFFFTYIIE-XKZIYDEJSA-N 0 0 448.316 5.681 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1)c1ccco1 ZINC000009724436 569563695 /nfs/dbraw/zinc/56/36/95/569563695.db2.gz DQPAHKLNWGNUEG-KRWDZBQOSA-N 0 0 431.517 5.161 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccc(C)cc4)c3c2c1 ZINC000009725250 569563758 /nfs/dbraw/zinc/56/37/58/569563758.db2.gz DUILOERXPDWBLS-UHFFFAOYSA-N 0 0 436.515 5.597 50 0 IKAARN CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)cc1 ZINC000009725296 569563764 /nfs/dbraw/zinc/56/37/64/569563764.db2.gz BXVUHUTUWATOLT-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000009725458 569563826 /nfs/dbraw/zinc/56/38/26/569563826.db2.gz WHNLMZJMFGCYTK-VWLOTQADSA-N 0 0 446.978 5.406 50 0 IKAARN CCc1ccc(OCc2nnc(S[C@@H]3CCCCC3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC000009725624 569563828 /nfs/dbraw/zinc/56/38/28/569563828.db2.gz FCDYBSRFBNFXOQ-FDDCHVKYSA-N 0 0 435.593 5.633 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccc(F)cc4)c3c2c1 ZINC000009725409 569563830 /nfs/dbraw/zinc/56/38/30/569563830.db2.gz WAEVWGGUVGEDLW-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)C2)cc1 ZINC000009727050 569563912 /nfs/dbraw/zinc/56/39/12/569563912.db2.gz HVLXKMQYHNXHPJ-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1 ZINC000009727429 569563982 /nfs/dbraw/zinc/56/39/82/569563982.db2.gz NIHJETLHNFDYFE-UHFFFAOYSA-N 0 0 443.576 5.239 50 0 IKAARN Cc1cccc2c(C)cc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)nc12 ZINC000009727101 569563983 /nfs/dbraw/zinc/56/39/83/569563983.db2.gz AVBVQDLGEUYMSJ-FQEVSTJZSA-N 0 0 434.561 5.079 50 0 IKAARN Brc1ccccc1-c1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 ZINC000009729252 569564245 /nfs/dbraw/zinc/56/42/45/569564245.db2.gz AAJLTRYHKUXRHF-INIZCTEOSA-N 0 0 430.371 5.027 50 0 IKAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccc(Cl)cc1 ZINC000009729295 569564254 /nfs/dbraw/zinc/56/42/54/569564254.db2.gz RJCKPBWZXBCHON-CYBMUJFWSA-N 0 0 448.375 5.862 50 0 IKAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccc(F)cc1 ZINC000009729555 569564286 /nfs/dbraw/zinc/56/42/86/569564286.db2.gz RRPDTFQEEWZORP-ZDUSSCGKSA-N 0 0 431.920 5.348 50 0 IKAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009729694 569564296 /nfs/dbraw/zinc/56/42/96/569564296.db2.gz OBXFFFGNNTXIBY-GOSISDBHSA-N 0 0 428.561 5.192 50 0 IKAARN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009730219 569564408 /nfs/dbraw/zinc/56/44/08/569564408.db2.gz RVKLUABJUAFSMZ-UHFFFAOYSA-N 0 0 449.378 5.508 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)cc1 ZINC000009730628 569564481 /nfs/dbraw/zinc/56/44/81/569564481.db2.gz PZUIEUIZUMYDAH-GDLZYMKVSA-N 0 0 441.571 5.424 50 0 IKAARN OCCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 ZINC000009731461 569564548 /nfs/dbraw/zinc/56/45/48/569564548.db2.gz YBMOYBSACHLOLF-UHFFFAOYSA-N 0 0 434.543 5.608 50 0 IKAARN CCc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000009731916 569564730 /nfs/dbraw/zinc/56/47/30/569564730.db2.gz BNHKMEOECRKBCL-SANMLTNESA-N 0 0 433.935 5.218 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)N1CCc2ccccc21 ZINC000009737817 569564823 /nfs/dbraw/zinc/56/48/23/569564823.db2.gz XXKFVUVQBKXGEA-INIZCTEOSA-N 0 0 429.520 5.506 50 0 IKAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746732 569565787 /nfs/dbraw/zinc/56/57/87/569565787.db2.gz HHKATSINWZXGMR-UHFFFAOYSA-N 0 0 431.363 5.491 50 0 IKAARN Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009747243 569565802 /nfs/dbraw/zinc/56/58/02/569565802.db2.gz ZBXFEURRBGZHQR-UHFFFAOYSA-N 0 0 446.601 5.326 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000009747272 569565866 /nfs/dbraw/zinc/56/58/66/569565866.db2.gz ZWQBPGSEZCJPIN-UHFFFAOYSA-N 0 0 443.012 5.559 50 0 IKAARN CCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2c3ccccc3oc2c1=O ZINC000009749535 569565997 /nfs/dbraw/zinc/56/59/97/569565997.db2.gz GNGAWKYYSTVKHV-UHFFFAOYSA-N 0 0 435.549 5.236 50 0 IKAARN CCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000009749413 569566009 /nfs/dbraw/zinc/56/60/09/569566009.db2.gz VURPOUJOOQVCDK-UHFFFAOYSA-N 0 0 439.512 5.121 50 0 IKAARN CC(C)CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000009751241 569566066 /nfs/dbraw/zinc/56/60/66/569566066.db2.gz ZKXNMUUOSOGUBZ-UHFFFAOYSA-N 0 0 439.512 5.059 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C2CCCC2)c(C)c1 ZINC000009752498 569566145 /nfs/dbraw/zinc/56/61/45/569566145.db2.gz KCMMJJCPWXYSIF-UHFFFAOYSA-N 0 0 447.560 5.605 50 0 IKAARN c1[nH]c2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)[nH]1 ZINC000009761278 569566204 /nfs/dbraw/zinc/56/62/04/569566204.db2.gz GBDNILIHZRREQM-UHFFFAOYSA-N 0 0 427.507 7.684 50 0 IKAARN Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000009761131 569566233 /nfs/dbraw/zinc/56/62/33/569566233.db2.gz LYBCYNGOTCPQNE-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2F)c1 ZINC000009761127 569566219 /nfs/dbraw/zinc/56/62/19/569566219.db2.gz KNMDMELQWCGWHI-QFIPXVFZSA-N 0 0 425.301 5.953 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCc3ccc(F)cc3)ccc21 ZINC000009762428 569566470 /nfs/dbraw/zinc/56/64/70/569566470.db2.gz CAKQPRWRWSIUGA-UHFFFAOYSA-N 0 0 431.511 5.379 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cs2)cc1 ZINC000009763506 569566645 /nfs/dbraw/zinc/56/66/45/569566645.db2.gz LLAUBFOPUSUHNE-UHFFFAOYSA-N 0 0 427.573 6.080 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3n2)cc1 ZINC000009775290 569566962 /nfs/dbraw/zinc/56/69/62/569566962.db2.gz FLEWUAIRJQFDIB-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN COc1ccccc1C(=O)NCCn1cc(SCc2cccc(F)c2)c2ccccc21 ZINC000009775780 569566983 /nfs/dbraw/zinc/56/69/83/569566983.db2.gz BILJKBWQPVSEEK-UHFFFAOYSA-N 0 0 434.536 5.511 50 0 IKAARN COc1ccccc1C(=O)NCCn1cc(SCc2ccccc2C)c2ccccc21 ZINC000009775779 569567002 /nfs/dbraw/zinc/56/70/02/569567002.db2.gz PPEHSBYTAFGXOZ-UHFFFAOYSA-N 0 0 430.573 5.681 50 0 IKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(Oc2ccccc2)cc1 ZINC000009775677 569567022 /nfs/dbraw/zinc/56/70/22/569567022.db2.gz DKFGOBDOVNPRKQ-UHFFFAOYSA-N 0 0 428.488 6.346 50 0 IKAARN Cc1ccc(Nc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)cc1Cl ZINC000009776710 569567047 /nfs/dbraw/zinc/56/70/47/569567047.db2.gz BSHKYTLNIPJQCC-UHFFFAOYSA-N 0 0 445.906 5.964 50 0 IKAARN COc1ccc([C@H]2[C@H](C(=O)N3CCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776128 569567051 /nfs/dbraw/zinc/56/70/51/569567051.db2.gz ISJDROHNPVWFFH-FTJBHMTQSA-N 0 0 446.591 5.321 50 0 IKAARN COc1ccccc1Nc1c2ccc(C(=O)Nc3ccccc3C)cc2nc2c1CCCC2 ZINC000009777053 569567124 /nfs/dbraw/zinc/56/71/24/569567124.db2.gz USZUWMHUAVZZOC-UHFFFAOYSA-N 0 0 437.543 6.427 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc(C)c1Cl ZINC000009777639 569567152 /nfs/dbraw/zinc/56/71/52/569567152.db2.gz MIXSMXBRURMSMK-UHFFFAOYSA-N 0 0 438.936 5.957 50 0 IKAARN COc1ccc(C(=O)NCCn2cc(SCc3cccc(F)c3)c3ccccc32)cc1 ZINC000009777637 569567163 /nfs/dbraw/zinc/56/71/63/569567163.db2.gz DHNHSVJSXKEXSF-UHFFFAOYSA-N 0 0 434.536 5.511 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)c3)oc2c(C)c1 ZINC000009777587 569567199 /nfs/dbraw/zinc/56/71/99/569567199.db2.gz HNSWTBOPYVBGMB-UHFFFAOYSA-N 0 0 434.923 6.399 50 0 IKAARN COc1cccc(-c2nc(CNc3ccccc3C(=O)NCc3ccccc3)cs2)c1 ZINC000009778559 569567211 /nfs/dbraw/zinc/56/72/11/569567211.db2.gz CHSPTWJMBLGQBQ-UHFFFAOYSA-N 0 0 429.545 5.361 50 0 IKAARN COc1ccc(NC(=O)Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)c(OC)c1 ZINC000009779064 569567403 /nfs/dbraw/zinc/56/74/03/569567403.db2.gz JFTXCKSYPVBVBO-UHFFFAOYSA-N 0 0 434.923 5.541 50 0 IKAARN C[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000009782438 569567714 /nfs/dbraw/zinc/56/77/14/569567714.db2.gz QBAUWFZICRJTEB-SNVBAGLBSA-N 0 0 437.750 5.007 50 0 IKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000009779749 569567435 /nfs/dbraw/zinc/56/74/35/569567435.db2.gz CKUGCGPGJAQPGL-LMSSTIIKSA-N 0 0 434.539 6.871 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)C(=O)N1CCCCCC1 ZINC000009780376 569567521 /nfs/dbraw/zinc/56/75/21/569567521.db2.gz XNOCDWNXBJQUFB-GFCCVEGCSA-N 0 0 430.521 5.184 50 0 IKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCN(C(=O)c2cccs2)CC1 ZINC000009781502 569567627 /nfs/dbraw/zinc/56/76/27/569567627.db2.gz XMPNBJJPMITGOP-UHFFFAOYSA-N 0 0 447.585 5.516 50 0 IKAARN Clc1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc2c1OCCCO2 ZINC000009782186 569567664 /nfs/dbraw/zinc/56/76/64/569567664.db2.gz CJBCUZOCWMVABQ-UHFFFAOYSA-N 0 0 427.957 5.311 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000009782765 569567723 /nfs/dbraw/zinc/56/77/23/569567723.db2.gz RREFMPYFQBTLFE-HSZRJFAPSA-N 0 0 439.540 5.866 50 0 IKAARN Cc1nc(COc2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2)cs1 ZINC000009783642 569567864 /nfs/dbraw/zinc/56/78/64/569567864.db2.gz HPCOWWAEYASTNC-SFHVURJKSA-N 0 0 449.601 5.660 50 0 IKAARN O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccccc1Oc1ccccc1 ZINC000009785352 569567882 /nfs/dbraw/zinc/56/78/82/569567882.db2.gz YRPFLHZMIFKWQN-UHFFFAOYSA-N 0 0 436.537 5.181 50 0 IKAARN O=C(CCCSc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009788992 569568028 /nfs/dbraw/zinc/56/80/28/569568028.db2.gz ZWXDUPNJAANDFA-GOSISDBHSA-N 0 0 440.590 5.304 50 0 IKAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000009789112 569568035 /nfs/dbraw/zinc/56/80/35/569568035.db2.gz ZUZNYDUVWDRAIB-RUZDIDTESA-N 0 0 446.595 5.362 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1 ZINC000009789284 569568107 /nfs/dbraw/zinc/56/81/07/569568107.db2.gz XTPGOAQSEHKKHL-OAHLLOKOSA-N 0 0 445.548 5.083 50 0 IKAARN CCOc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000009790532 569568172 /nfs/dbraw/zinc/56/81/72/569568172.db2.gz JGKMBUHRLLGZNG-NRFANRHFSA-N 0 0 432.501 5.200 50 0 IKAARN Cc1oc2cc(OCC(=O)Nc3ccc4c(c3)CCC4)ccc2c(=O)c1-c1ccccc1 ZINC000009789867 569568185 /nfs/dbraw/zinc/56/81/85/569568185.db2.gz IUDKZXPGTHVSIO-UHFFFAOYSA-N 0 0 425.484 5.275 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C2CCCC2)cc1 ZINC000009792252 569568252 /nfs/dbraw/zinc/56/82/52/569568252.db2.gz XZZPZGUAUVFEGM-UHFFFAOYSA-N 0 0 438.597 5.359 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C)c1ccc(-c2ccccc2)cc1 ZINC000009794676 569568368 /nfs/dbraw/zinc/56/83/68/569568368.db2.gz PVEJBUOVTXRWRX-QGZVFWFLSA-N 0 0 448.617 5.104 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Sc2ncnc3sccc32)c2ccccc2)cc1Cl ZINC000009797609 569568493 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IKAARN O=C(c1cccc(Oc2ccccc2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000009820886 569569438 /nfs/dbraw/zinc/56/94/38/569569438.db2.gz OXUFQQYHZGTFLK-UHFFFAOYSA-N 0 0 445.906 5.987 50 0 IKAARN COCCc1ccc(-c2csc(NC(=O)c3cc(OC)ccc3Br)n2)cc1 ZINC000009821960 569569485 /nfs/dbraw/zinc/56/94/85/569569485.db2.gz WQQHNODXHXMAIB-UHFFFAOYSA-N 0 0 447.354 5.022 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009823736 569569602 /nfs/dbraw/zinc/56/96/02/569569602.db2.gz ZSBOSMQHLSKLJI-UHFFFAOYSA-N 0 0 435.578 5.417 50 0 IKAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(-c4ccccc4)cc3)co2)n1 ZINC000009829271 569569998 /nfs/dbraw/zinc/56/99/98/569569998.db2.gz DQKGFSKSCWEFGP-UHFFFAOYSA-N 0 0 444.512 5.225 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc21 ZINC000009829765 569570142 /nfs/dbraw/zinc/57/01/42/569570142.db2.gz KCXILJVHBXVDSZ-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+][C@H](C)CCc3ccccc3)c2C(=O)[O-])cc1 ZINC000009831785 569570224 /nfs/dbraw/zinc/57/02/24/569570224.db2.gz QJKIBLSPGBZNKY-OAQYLSRUSA-N 0 0 438.571 6.142 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1cccc(C)c1 ZINC000009832107 569570264 /nfs/dbraw/zinc/57/02/64/569570264.db2.gz QRNYTKSXVIRMDA-UHFFFAOYSA-N 0 0 425.583 5.232 50 0 IKAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000009832069 569570286 /nfs/dbraw/zinc/57/02/86/569570286.db2.gz GPPVTORDFBRZEX-UHFFFAOYSA-N 0 0 449.963 5.256 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000009832101 569570298 /nfs/dbraw/zinc/57/02/98/569570298.db2.gz FWZUULWDCYPBQJ-UHFFFAOYSA-N 0 0 439.610 5.541 50 0 IKAARN Cc1ccc(CC[NH2+]Cc2c3ccccc3n(Cc3ccccc3Cl)c2C(=O)[O-])cc1 ZINC000009833297 569570307 /nfs/dbraw/zinc/57/03/07/569570307.db2.gz RUXALRFVBWVUJJ-UHFFFAOYSA-N 0 0 432.951 5.682 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccc4c(c3)OCO4)c2C(=O)[O-])cc1 ZINC000009833341 569570368 /nfs/dbraw/zinc/57/03/68/569570368.db2.gz UURWBUZYKDJHKS-UHFFFAOYSA-N 0 0 440.499 5.049 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CCOc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009959099 569575089 /nfs/dbraw/zinc/57/50/89/569575089.db2.gz FCOJPDONRVFUMJ-UHFFFAOYSA-N 0 0 448.450 5.240 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1 ZINC000009959224 569575110 /nfs/dbraw/zinc/57/51/10/569575110.db2.gz FOUGEDPZAFLHDN-UHFFFAOYSA-N 0 0 444.487 5.410 50 0 IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000009959242 569575114 /nfs/dbraw/zinc/57/51/14/569575114.db2.gz YAMKXOOUKSWYFK-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)cc1 ZINC000009959117 569575117 /nfs/dbraw/zinc/57/51/17/569575117.db2.gz DTIQGMIFJAFAHX-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)cc2)cc1 ZINC000009959129 569575137 /nfs/dbraw/zinc/57/51/37/569575137.db2.gz CPHNJZSMZNYTSF-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN Cc1ccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000009959476 569575157 /nfs/dbraw/zinc/57/51/57/569575157.db2.gz JAVLBCLEBZEABK-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1 ZINC000009959652 569575166 /nfs/dbraw/zinc/57/51/66/569575166.db2.gz YGSNUFZSWYXPSA-UHFFFAOYSA-N 0 0 426.541 5.286 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1-c1ccc(Cl)cc1 ZINC000009959487 569575180 /nfs/dbraw/zinc/57/51/80/569575180.db2.gz FXHOARYLIHFUDI-UHFFFAOYSA-N 0 0 436.895 5.208 50 0 IKAARN CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000009959697 569575194 /nfs/dbraw/zinc/57/51/94/569575194.db2.gz QHLXJKCGPPGJKE-UHFFFAOYSA-N 0 0 430.504 5.117 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1-c1ccccc1Cl ZINC000009959716 569575224 /nfs/dbraw/zinc/57/52/24/569575224.db2.gz CKUBACIALFXNTP-UHFFFAOYSA-N 0 0 436.895 5.208 50 0 IKAARN COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1F ZINC000071327580 569575310 /nfs/dbraw/zinc/57/53/10/569575310.db2.gz PFJBDZNXMJPETJ-UHFFFAOYSA-N 0 0 430.501 5.085 50 0 IKAARN C=Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)cc1 ZINC000071327652 569575358 /nfs/dbraw/zinc/57/53/58/569575358.db2.gz GEUVILIQWMPHNG-UHFFFAOYSA-N 0 0 439.005 6.289 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009960128 569575362 /nfs/dbraw/zinc/57/53/62/569575362.db2.gz JLWOSYZAPSBKMK-UHFFFAOYSA-N 0 0 435.456 5.032 50 0 IKAARN Cc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1 ZINC000071327647 569575395 /nfs/dbraw/zinc/57/53/95/569575395.db2.gz NRZGLRHDGNRRMV-UHFFFAOYSA-N 0 0 426.994 5.955 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071328029 569575455 /nfs/dbraw/zinc/57/54/55/569575455.db2.gz FNAWITHTLDNACE-UHFFFAOYSA-N 0 0 444.000 5.828 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000071328033 569575459 /nfs/dbraw/zinc/57/54/59/569575459.db2.gz OMPZKSQVQCDHMT-UHFFFAOYSA-N 0 0 445.535 5.453 50 0 IKAARN CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N(CC)CC)cc1 ZINC000071328078 569575478 /nfs/dbraw/zinc/57/54/78/569575478.db2.gz XBAJIKSIKWLERK-UHFFFAOYSA-N 0 0 429.630 5.329 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)NCc2ccc(C)cc2)cc1 ZINC000071328021 569575499 /nfs/dbraw/zinc/57/54/99/569575499.db2.gz WHZPURRILKQNMT-UHFFFAOYSA-N 0 0 437.609 5.161 50 0 IKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)N[C@H](C)CCc3ccccc3)cc1N=C2C ZINC000009963322 569575754 /nfs/dbraw/zinc/57/57/54/569575754.db2.gz SHCDBTUTPWGZOU-LJQANCHMSA-N 0 0 428.601 6.660 50 0 IKAARN Cc1ccc2c(c1)[C@H](SCC(=O)NCCc1ccc(Cl)cc1)CC1(CCCCC1)O2 ZINC000009963325 569575805 /nfs/dbraw/zinc/57/58/05/569575805.db2.gz MIGJKLMDKKBIHG-HSZRJFAPSA-N 0 0 444.040 6.267 50 0 IKAARN COc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2cccc(C)c2)c1OC ZINC000009963676 569575819 /nfs/dbraw/zinc/57/58/19/569575819.db2.gz ZXGNWNXACWIFLH-UHFFFAOYSA-N 0 0 442.559 5.562 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000009963737 569575866 /nfs/dbraw/zinc/57/58/66/569575866.db2.gz RTLWLRSSMJEBBM-UHFFFAOYSA-N 0 0 428.410 5.148 50 0 IKAARN O=C(Nc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000009968505 569575908 /nfs/dbraw/zinc/57/59/08/569575908.db2.gz VFXSQHCHKHAECA-OAQYLSRUSA-N 0 0 438.300 5.971 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000009964021 569575929 /nfs/dbraw/zinc/57/59/29/569575929.db2.gz FTEDFRJPZHMCQA-UHFFFAOYSA-N 0 0 442.544 5.033 50 0 IKAARN O=C([O-])c1c(C[NH2+]CCCc2ccccc2)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000009968990 569575950 /nfs/dbraw/zinc/57/59/50/569575950.db2.gz DVMQAJFBVLAMOP-UHFFFAOYSA-N 0 0 432.951 5.764 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3Cl)c2C(=O)[O-])c1 ZINC000009969037 569575970 /nfs/dbraw/zinc/57/59/70/569575970.db2.gz GAFQPIMJYSOHAK-UHFFFAOYSA-N 0 0 432.951 5.948 50 0 IKAARN C[C@H](C[NH2+]Cc1c2ccccc2n(Cc2cccc(Cl)c2)c1C(=O)[O-])c1ccccc1 ZINC000009968999 569575972 /nfs/dbraw/zinc/57/59/72/569575972.db2.gz WNMDMRKYXWFDJZ-GOSISDBHSA-N 0 0 432.951 5.935 50 0 IKAARN O=C(Cn1c(=O)c2ccccc2nc1-c1ccccc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000009968937 569575977 /nfs/dbraw/zinc/57/59/77/569575977.db2.gz QFVQHLXQLUAGMK-UHFFFAOYSA-N 0 0 442.277 5.148 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)-c1c(C)cccc1OC2)c1ccc(Cl)c(Cl)c1 ZINC000009970086 569576174 /nfs/dbraw/zinc/57/61/74/569576174.db2.gz YYHSSFLXAHAJDK-UHFFFAOYSA-N 0 0 432.372 6.980 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3Cl)c2C(=O)[O-])cc1 ZINC000009969104 569576039 /nfs/dbraw/zinc/57/60/39/569576039.db2.gz HOIGUUUIXAIGOJ-UHFFFAOYSA-N 0 0 430.935 5.974 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]CCc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009969105 569576048 /nfs/dbraw/zinc/57/60/48/569576048.db2.gz GPISCEVYGGIMMA-UHFFFAOYSA-N 0 0 444.962 6.017 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)c(C)c1 ZINC000009970142 569576166 /nfs/dbraw/zinc/57/61/66/569576166.db2.gz KRWZJNOBRXOPIY-QHCPKHFHSA-N 0 0 430.573 5.821 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1Cl ZINC000009970146 569576171 /nfs/dbraw/zinc/57/61/71/569576171.db2.gz UCNZFXYPLKXTMG-QFIPXVFZSA-N 0 0 436.964 5.857 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)c(C)c1 ZINC000009970143 569576175 /nfs/dbraw/zinc/57/61/75/569576175.db2.gz KRWZJNOBRXOPIY-HSZRJFAPSA-N 0 0 430.573 5.821 50 0 IKAARN COC(=O)c1c(Oc2ccc(NC(C)=O)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000009970892 569576221 /nfs/dbraw/zinc/57/62/21/569576221.db2.gz RJQBUKMIUGGTJS-UHFFFAOYSA-N 0 0 439.471 5.348 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000009970993 569576229 /nfs/dbraw/zinc/57/62/29/569576229.db2.gz XHPFVIILHXXBQR-GDLZYMKVSA-N 0 0 444.534 6.589 50 0 IKAARN CCCSc1ccc2[nH]c(NC(=O)CSc3nc(C)cc(-c4ccccc4)n3)nc2c1 ZINC000009971553 569576294 /nfs/dbraw/zinc/57/62/94/569576294.db2.gz DYAFWRHYIKHOIC-UHFFFAOYSA-N 0 0 449.605 5.561 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000009975609 569576414 /nfs/dbraw/zinc/57/64/14/569576414.db2.gz UZRPBUFCDXIEDV-GOSISDBHSA-N 0 0 433.430 5.110 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009980390 569576435 /nfs/dbraw/zinc/57/64/35/569576435.db2.gz IYKNOKBMNOREPJ-UHFFFAOYSA-N 0 0 439.577 5.526 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 ZINC000009983928 569576631 /nfs/dbraw/zinc/57/66/31/569576631.db2.gz HACHECDBDRDQQV-SFHVURJKSA-N 0 0 446.551 5.102 50 0 IKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc2c(cc1Br)OCCO2 ZINC000009984721 569576655 /nfs/dbraw/zinc/57/66/55/569576655.db2.gz CWINSUQZYQUYSM-UHFFFAOYSA-N 0 0 428.282 5.052 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc3c4c(cccc42)CC3)C1=O ZINC000009985347 569576715 /nfs/dbraw/zinc/57/67/15/569576715.db2.gz OIOADDJOPUYENI-SSEXGKCCSA-N 0 0 447.534 5.254 50 0 IKAARN Cc1cc(-c2nc3ccccc3c(=O)o2)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000009986291 569576729 /nfs/dbraw/zinc/57/67/29/569576729.db2.gz NOMBXRIVROXMQM-UHFFFAOYSA-N 0 0 442.515 5.478 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000009989033 569576867 /nfs/dbraw/zinc/57/68/67/569576867.db2.gz DTYYUCFRZJQEMO-UHFFFAOYSA-N 0 0 448.523 5.203 50 0 IKAARN C[C@@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c3c21 ZINC000009993250 569576961 /nfs/dbraw/zinc/57/69/61/569576961.db2.gz RKCCFSABTIORMY-MRXNPFEDSA-N 0 0 446.597 5.862 50 0 IKAARN CC1CCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@H](C(C)(C)C)CC3)CC1 ZINC000009994671 569576971 /nfs/dbraw/zinc/57/69/71/569576971.db2.gz SQBFANKSJCUQTM-MRXNPFEDSA-N 0 0 444.666 6.085 50 0 IKAARN CC(C)Oc1ccccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000009994642 569576981 /nfs/dbraw/zinc/57/69/81/569576981.db2.gz YJYWBEPKJQVSMR-UHFFFAOYSA-N 0 0 448.950 5.973 50 0 IKAARN COc1cc(-c2nc3ccccc3c(Nc3cc(Cl)ccc3C)n2)cc(OC)c1OC ZINC000010012993 569577025 /nfs/dbraw/zinc/57/70/25/569577025.db2.gz JOEQWZCLXLCREU-UHFFFAOYSA-N 0 0 435.911 6.028 50 0 IKAARN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1O[C@@H](C)c1ccccc1 ZINC000010013418 569577051 /nfs/dbraw/zinc/57/70/51/569577051.db2.gz PYXVZCZEVUBLMS-INIZCTEOSA-N 0 0 446.572 6.069 50 0 IKAARN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1O[C@H](C)c1ccccc1 ZINC000010013419 569577065 /nfs/dbraw/zinc/57/70/65/569577065.db2.gz PYXVZCZEVUBLMS-MRXNPFEDSA-N 0 0 446.572 6.069 50 0 IKAARN Cc1ccccc1OCCOc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000010013415 569577088 /nfs/dbraw/zinc/57/70/88/569577088.db2.gz ZBLKGLJOWLTBRS-UHFFFAOYSA-N 0 0 432.545 5.297 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C ZINC000010014926 569577111 /nfs/dbraw/zinc/57/71/11/569577111.db2.gz BHRBMCNXZAOIED-UHFFFAOYSA-N 0 0 426.542 5.166 50 0 IKAARN c1nn(-c2ccccc2)c2ncnc(SCc3nnc(-c4cc5c(s4)CCCC5)o3)c12 ZINC000010021688 569577225 /nfs/dbraw/zinc/57/72/25/569577225.db2.gz QGGPRMGEPQQLBC-UHFFFAOYSA-N 0 0 446.561 5.098 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4Cl)cc3)oc2c1 ZINC000010035206 569577362 /nfs/dbraw/zinc/57/73/62/569577362.db2.gz ILEUUDPOWKEXCL-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1NC(=O)N[C@@H](C)c1cccs1 ZINC000010035396 569577398 /nfs/dbraw/zinc/57/73/98/569577398.db2.gz MROFKNGAAKLGKK-GJZGRUSLSA-N 0 0 428.583 5.883 50 0 IKAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2cccc3ccccc32)cc1Cl ZINC000010037340 569577457 /nfs/dbraw/zinc/57/74/57/569577457.db2.gz MWZWWGHQGDXIQW-INIZCTEOSA-N 0 0 436.968 5.352 50 0 IKAARN COc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl ZINC000010037784 569577467 /nfs/dbraw/zinc/57/74/67/569577467.db2.gz SADSGKQSOKGVBX-XMMPIXPASA-N 0 0 449.938 5.267 50 0 IKAARN COc1cccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(Cl)s3)nc21 ZINC000010061330 569577560 /nfs/dbraw/zinc/57/75/60/569577560.db2.gz VRAZSICITRIHGO-UHFFFAOYSA-N 0 0 429.954 5.191 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)c(C)c1 ZINC000010069289 569577644 /nfs/dbraw/zinc/57/76/44/569577644.db2.gz YMJZKBPRPPNADA-UHFFFAOYSA-N 0 0 448.592 5.787 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)ccc2OC)cc1 ZINC000010109656 569577936 /nfs/dbraw/zinc/57/79/36/569577936.db2.gz NBQSRGGTLFPDHI-UHFFFAOYSA-N 0 0 442.471 5.468 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000010142095 569578125 /nfs/dbraw/zinc/57/81/25/569578125.db2.gz ZMDHLUQRBMDDRE-RTBURBONSA-N 0 0 449.620 5.130 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3F)n2-c2ccccc2)cc1 ZINC000010177815 569578337 /nfs/dbraw/zinc/57/83/37/569578337.db2.gz YGNKZXOAQRWUKZ-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN COc1cc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc(OC)c1OC ZINC000010187481 569578596 /nfs/dbraw/zinc/57/85/96/569578596.db2.gz ZDUDMBLPIVIJDQ-UHFFFAOYSA-N 0 0 434.517 5.169 50 0 IKAARN CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3cccc(OC)c3OC)nc21 ZINC000010187563 569578607 /nfs/dbraw/zinc/57/86/07/569578607.db2.gz SAYJSVMCYLRZSU-UHFFFAOYSA-N 0 0 433.533 5.118 50 0 IKAARN COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(ccc(C)c3C)s2)c1OC ZINC000010187707 569578641 /nfs/dbraw/zinc/57/86/41/569578641.db2.gz WBFRQOFTANGVKG-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)CSc3ccccc3)nc21 ZINC000010187738 569578685 /nfs/dbraw/zinc/57/86/85/569578685.db2.gz KKXHIUPHEYMUKX-UHFFFAOYSA-N 0 0 435.574 5.416 50 0 IKAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)CSc3ccc(C)cc3)nc21 ZINC000010187735 569578717 /nfs/dbraw/zinc/57/87/17/569578717.db2.gz MGSYYYWTOGODHD-UHFFFAOYSA-N 0 0 435.574 5.334 50 0 IKAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CSc3ccccc3)nc21 ZINC000010187741 569578719 /nfs/dbraw/zinc/57/87/19/569578719.db2.gz MZRJZPBEJMQDNY-UHFFFAOYSA-N 0 0 435.574 5.334 50 0 IKAARN O=C(c1cc2cccnc2n(Cc2ccccc2)c1=O)N(Cc1ccccc1)c1ccccc1 ZINC000010188108 569578813 /nfs/dbraw/zinc/57/88/13/569578813.db2.gz SSHKVGXHXGTCPS-UHFFFAOYSA-N 0 0 445.522 5.292 50 0 IKAARN CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)c1C ZINC000010189582 569578900 /nfs/dbraw/zinc/57/89/00/569578900.db2.gz OFVWCOXZMROXDZ-UHFFFAOYSA-N 0 0 428.583 5.301 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)c(C)c1 ZINC000010211444 569578980 /nfs/dbraw/zinc/57/89/80/569578980.db2.gz NZKPAFPTMCZUPS-UHFFFAOYSA-N 0 0 443.572 5.350 50 0 IKAARN O=C(CSc1nc2ccccc2s1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000010213294 569579005 /nfs/dbraw/zinc/57/90/05/569579005.db2.gz PGMSZNSSMAJXDE-UHFFFAOYSA-N 0 0 425.604 5.404 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000010214356 569579186 /nfs/dbraw/zinc/57/91/86/569579186.db2.gz JKWXEDVATNAXFY-XMMPIXPASA-N 0 0 425.532 5.144 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccco2)cc1 ZINC000010215107 569579227 /nfs/dbraw/zinc/57/92/27/569579227.db2.gz LNTNLAJINDHWHT-SIKLNZKXSA-N 0 0 439.309 5.683 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccc(OC)c(OC)c3)oc3c(C)cccc3c2=O)cc1 ZINC000010232991 569579334 /nfs/dbraw/zinc/57/93/34/569579334.db2.gz DIEDPEVFIMJXLQ-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccco1 ZINC000010232997 569579338 /nfs/dbraw/zinc/57/93/38/569579338.db2.gz JBWKNJYMDQRIIB-UHFFFAOYSA-N 0 0 426.291 5.536 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(Cl)c1)N(c1nccs1)C3=O ZINC000010233037 569579402 /nfs/dbraw/zinc/57/94/02/569579402.db2.gz VSOJBSCXKKZVPS-QGZVFWFLSA-N 0 0 443.311 5.615 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O ZINC000010233039 569579416 /nfs/dbraw/zinc/57/94/16/569579416.db2.gz FWXDBWAWIIHVMP-QGZVFWFLSA-N 0 0 443.311 5.615 50 0 IKAARN COc1cc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c(OC)cc1Cl ZINC000010237017 569579675 /nfs/dbraw/zinc/57/96/75/569579675.db2.gz CCXGFZSVZZFZHJ-UHFFFAOYSA-N 0 0 445.903 5.054 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000010253996 569579943 /nfs/dbraw/zinc/57/99/43/569579943.db2.gz MIGTWNUSSDNKNH-UHFFFAOYSA-N 0 0 427.895 6.313 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Br)c(C)c2)cc1Cl ZINC000010253708 569579985 /nfs/dbraw/zinc/57/99/85/569579985.db2.gz XLIDNQYRDQKKCR-UHFFFAOYSA-N 0 0 428.721 5.592 50 0 IKAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(SCc2cc(-c3ccco3)on2)n1 ZINC000010276957 569580387 /nfs/dbraw/zinc/58/03/87/569580387.db2.gz MBQHVGYMQZKSHC-UHFFFAOYSA-N 0 0 428.583 5.690 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N(C)Cc3nc4ccccc4s3)c2oc1-c1ccccc1 ZINC000010285351 569580447 /nfs/dbraw/zinc/58/04/47/569580447.db2.gz CEMZATZWSZNYDG-UHFFFAOYSA-N 0 0 440.524 5.650 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3nnnn31)c1cc(Cl)ccc1O[C@H]2c1ccsc1 ZINC000010336751 569581165 /nfs/dbraw/zinc/58/11/65/569581165.db2.gz KTCBMXXVDGBOPP-UXHICEINSA-N 0 0 437.887 5.087 50 0 IKAARN CCn1c(=O)c2c(nc1SC[C@H](O)c1ccccc1)sc(C)c2-c1ccc(F)cc1 ZINC000010374457 569581522 /nfs/dbraw/zinc/58/15/22/569581522.db2.gz IEYZTUZYGISFCG-SFHVURJKSA-N 0 0 440.565 5.418 50 0 IKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000010372619 569581529 /nfs/dbraw/zinc/58/15/29/569581529.db2.gz KOTFSJJJKAICIN-IBGZPJMESA-N 0 0 432.549 5.018 50 0 IKAARN COc1cccc(NCc2nnc(SC[C@@H](O)c3ccccc3)n2C2CCCCC2)c1 ZINC000010373319 569581545 /nfs/dbraw/zinc/58/15/45/569581545.db2.gz OQZMRSIPISDYQS-JOCHJYFZSA-N 0 0 438.597 5.230 50 0 IKAARN O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1 ZINC000010381553 569581579 /nfs/dbraw/zinc/58/15/79/569581579.db2.gz GLGUNFGMLLHVCO-FNORWQNLSA-N 0 0 428.970 5.344 50 0 IKAARN O=C(c1cccs1)N(CCCn1ccnc1)c1nc2ccc(Br)cc2s1 ZINC000010381561 569581599 /nfs/dbraw/zinc/58/15/99/569581599.db2.gz JAZUMLKFJPJXSE-UHFFFAOYSA-N 0 0 447.383 5.054 50 0 IKAARN CC[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1C)C(=O)Nc1ccc(F)cc1 ZINC000010395553 569581848 /nfs/dbraw/zinc/58/18/48/569581848.db2.gz RNYCDENSDPVRDF-OAQYLSRUSA-N 0 0 447.539 5.286 50 0 IKAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000010411034 569581902 /nfs/dbraw/zinc/58/19/02/569581902.db2.gz QEKLAFOHJQRMGT-UHFFFAOYSA-N 0 0 433.509 5.497 50 0 IKAARN COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c(OC)cc1Cl ZINC000010430844 569582012 /nfs/dbraw/zinc/58/20/12/569582012.db2.gz NSSJYPNPNBCENH-UHFFFAOYSA-N 0 0 443.906 5.203 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000010427472 569582025 /nfs/dbraw/zinc/58/20/25/569582025.db2.gz BAFKBOBEXACZNU-NRFANRHFSA-N 0 0 448.935 5.121 50 0 IKAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000010435172 569582197 /nfs/dbraw/zinc/58/21/97/569582197.db2.gz QSKHVQSWKXFTLP-JOCHJYFZSA-N 0 0 430.895 5.483 50 0 IKAARN Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C(C)C)cc1Cl ZINC000010444379 569582276 /nfs/dbraw/zinc/58/22/76/569582276.db2.gz QEKIPDPIGDVGLJ-UHFFFAOYSA-N 0 0 428.960 5.028 50 0 IKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000071844260 569582338 /nfs/dbraw/zinc/58/23/38/569582338.db2.gz OUOKRJNWCFKZBA-NQIIRXRSSA-N 0 0 436.577 5.626 50 0 IKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000071844261 569582340 /nfs/dbraw/zinc/58/23/40/569582340.db2.gz OUOKRJNWCFKZBA-GHTZIAJQSA-N 0 0 436.577 5.626 50 0 IKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000071851106 569582452 /nfs/dbraw/zinc/58/24/52/569582452.db2.gz YPGJRPXMYQFLDQ-RTWAWAEBSA-N 0 0 449.513 5.754 50 0 IKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000071851104 569582466 /nfs/dbraw/zinc/58/24/66/569582466.db2.gz YPGJRPXMYQFLDQ-SFTDATJTSA-N 0 0 449.513 5.754 50 0 IKAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccccc1Br ZINC000010507109 569582586 /nfs/dbraw/zinc/58/25/86/569582586.db2.gz BZOUIINSHMMVAR-UHFFFAOYSA-N 0 0 441.354 5.756 50 0 IKAARN Cn1c(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ccccc2c1=O ZINC000028071166 569582750 /nfs/dbraw/zinc/58/27/50/569582750.db2.gz JLUDXRTXWRVLLZ-UHFFFAOYSA-N 0 0 425.513 5.548 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000095481313 569584484 /nfs/dbraw/zinc/58/44/84/569584484.db2.gz LHJOTWXFSJTPGD-UHFFFAOYSA-N 0 0 427.548 5.974 50 0 IKAARN COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccccc4C(C)C)CC3)ncn2)cc1 ZINC000077191875 569585999 /nfs/dbraw/zinc/58/59/99/569585999.db2.gz NZUAHCNMEDJWRS-UHFFFAOYSA-N 0 0 430.552 5.131 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)NCc3ccccn3)c3ccc(Cl)c(C)c3n2)c1 ZINC000016392559 569586722 /nfs/dbraw/zinc/58/67/22/569586722.db2.gz GWFWQTVNYOKBML-UHFFFAOYSA-N 0 0 431.923 5.587 50 0 IKAARN Cc1cccc([C@@]2(c3ccccc3)OC(=O)[C@](c3ccccc3)(c3cccc(C)c3)OC2=O)c1 ZINC000025694470 569587300 /nfs/dbraw/zinc/58/73/00/569587300.db2.gz NKLQBTIQTRJJAO-RNPORBBMSA-N 0 0 448.518 5.591 50 0 IKAARN COc1ccc(CSc2nccc3c2ccn3CC(=O)NCCC2=CCCCC2)cc1 ZINC000033298646 569587473 /nfs/dbraw/zinc/58/74/73/569587473.db2.gz RHUNQIRCNIOQBL-UHFFFAOYSA-N 0 0 435.593 5.344 50 0 IKAARN Cc1ccc(CN2C(=O)c3[nH]c4ccccc4c3SC[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000033315218 569587489 /nfs/dbraw/zinc/58/74/89/569587489.db2.gz XLONZEIIMQYDBM-AREMUKBSSA-N 0 0 447.604 5.042 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)c3ccc(Cl)cc3)nc2c1 ZINC000034908409 569587699 /nfs/dbraw/zinc/58/76/99/569587699.db2.gz WYBLDDNSXLUVLV-OAQYLSRUSA-N 0 0 432.907 6.134 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 ZINC000037245785 569588016 /nfs/dbraw/zinc/58/80/16/569588016.db2.gz NCAQEOULCQQMGY-LUPDVXKESA-N 0 0 430.717 7.851 50 0 IKAARN O=C(C1=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C(=O)C1=O)c1ccccc1 ZINC000039929358 569588112 /nfs/dbraw/zinc/58/81/12/569588112.db2.gz WQQOCFZYJRMUNX-UHFFFAOYSA-N 0 0 444.490 5.445 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000038240139 569588129 /nfs/dbraw/zinc/58/81/29/569588129.db2.gz QGGRDHGCNNAWIE-XVDRVFFOSA-N 0 0 444.700 7.218 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000002557433 574411885 /nfs/dbraw/zinc/41/18/85/574411885.db2.gz XUGISPSHIFXEHZ-LQOXIJNNSA-N 0 0 428.701 7.960 50 0 endogenous,in-man IKAARN Cc1sc2nc(SCc3noc(-c4ccco4)n3)n(C3CCCC3)c(=O)c2c1C ZINC000012906982 121355642 /nfs/dbraw/zinc/35/56/42/121355642.db2.gz OAPHWPHHRGPKJV-UHFFFAOYSA-N 0 0 428.539 5.125 50 0 IKAARN CC1CCN(c2ccc(NC(=O)Cc3cccs3)cc2C(=O)NCc2ccccc2)CC1 ZINC000000748234 535285988 /nfs/dbraw/zinc/28/59/88/535285988.db2.gz ZKUUAOZJSFHALI-UHFFFAOYSA-N 0 0 447.604 5.096 50 0 IKAARN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000253527797 291387830 /nfs/dbraw/zinc/38/78/30/291387830.db2.gz CAHGCLMLTWQZNJ-MIGGKOEASA-N 0 0 426.729 8.479 50 0 biogenic,in-vitro IKAARN C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000004097720 291408597 /nfs/dbraw/zinc/40/85/97/291408597.db2.gz OFMXGFHWLZPCFL-SVRPQWSVSA-N 0 0 426.729 8.457 50 0 biogenic,in-vitro IKAARN Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)s1 ZINC000000632285 193864236 /nfs/dbraw/zinc/86/42/36/193864236.db2.gz VHUSMKUUELITSK-UHFFFAOYSA-N 0 0 438.599 5.281 50 0 IKAARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1Cc1ccccc1 ZINC000000632190 193864240 /nfs/dbraw/zinc/86/42/40/193864240.db2.gz JHIZFLRWCDXJPS-UHFFFAOYSA-N 0 0 440.572 5.633 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccc(Br)c2)n2c1cc(C)c1ccccc12 ZINC000000633213 193864570 /nfs/dbraw/zinc/86/45/70/193864570.db2.gz VVOFHMDCZKEAIV-UHFFFAOYSA-N 0 0 436.305 5.571 50 0 IKAARN CSc1nc2sc(-c3ccccc3)cc2c(=O)n1NC(=O)Nc1cccc(Cl)c1 ZINC000000642517 193868169 /nfs/dbraw/zinc/86/81/69/193868169.db2.gz VADQYEIJXYXUBU-UHFFFAOYSA-N 0 0 442.953 5.276 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2C)c(C)c1 ZINC000000642293 193868176 /nfs/dbraw/zinc/86/81/76/193868176.db2.gz CTFPZQXINZTVNR-UHFFFAOYSA-N 0 0 435.380 5.445 50 0 IKAARN CCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccc(OC)cc1OC ZINC000000643398 193868370 /nfs/dbraw/zinc/86/83/70/193868370.db2.gz FYOQSWBEULQKKM-UHFFFAOYSA-N 0 0 430.957 6.254 50 0 IKAARN COc1ccccc1N(C(=O)CCc1ccccc1)c1nc(-c2ccccc2)c(C)s1 ZINC000000643366 193868452 /nfs/dbraw/zinc/86/84/52/193868452.db2.gz BCFOMMFBMTWORH-UHFFFAOYSA-N 0 0 428.557 6.425 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1 ZINC000000648232 193870855 /nfs/dbraw/zinc/87/08/55/193870855.db2.gz GAXIUCGOWWINTE-UHFFFAOYSA-N 0 0 433.508 5.484 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 ZINC000000648469 193871066 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c1ccc(CSc2nc3c(c(N4CCCCC4)n2)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000002222272 132249161 /nfs/dbraw/zinc/24/91/61/132249161.db2.gz YNBHGTREDSPOOU-UHFFFAOYSA-N 0 0 441.644 6.794 50 0 IKAARN O=C(NC(=S)Nc1ccccc1N1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000002229156 132249421 /nfs/dbraw/zinc/24/94/21/132249421.db2.gz ZEWYXWYZQBEPCL-UHFFFAOYSA-N 0 0 429.589 5.322 50 0 IKAARN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(C)cc3)c3ccccc32)cc1 ZINC000002250621 132249987 /nfs/dbraw/zinc/24/99/87/132249987.db2.gz SDNFSTWELAKVMF-NGNWLEOVSA-N 0 0 425.572 6.538 50 0 IKAARN c1ccc(Cc2nc3c(c(N4CCOCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002255568 132250215 /nfs/dbraw/zinc/25/02/15/132250215.db2.gz MUUMXSYAEXVRID-UHFFFAOYSA-N 0 0 425.576 5.329 50 0 IKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002261786 132250679 /nfs/dbraw/zinc/25/06/79/132250679.db2.gz YVKCGDJIQAMRDG-YCRPNKLZSA-N 0 0 426.347 6.977 50 0 IKAARN CCOc1cccc2c1N(C(=O)Cc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002266889 132250862 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O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000003623140 132266539 /nfs/dbraw/zinc/26/65/39/132266539.db2.gz FJDUYJCKORBRSD-UHFFFAOYSA-N 0 0 425.359 5.474 50 0 IKAARN Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc21 ZINC000003638378 132266578 /nfs/dbraw/zinc/26/65/78/132266578.db2.gz XYWPYIVCKGXINR-HSZRJFAPSA-N 0 0 442.584 5.441 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)CS3)cc1 ZINC000003638635 132266756 /nfs/dbraw/zinc/26/67/56/132266756.db2.gz UKIIRVVIVAFVAU-UHFFFAOYSA-N 0 0 436.964 5.217 50 0 aggregator IKAARN Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCc4ccc(F)cc4)cc32)c1 ZINC000003638714 132266766 /nfs/dbraw/zinc/26/67/66/132266766.db2.gz XFZBPEMROXBPOX-UHFFFAOYSA-N 0 0 434.536 5.011 50 0 IKAARN C[C@H](NC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2)c1ccccc1 ZINC000003638640 132266779 /nfs/dbraw/zinc/26/67/79/132266779.db2.gz MJXWGQNHXARSBV-INIZCTEOSA-N 0 0 436.964 5.470 50 0 IKAARN C[C@H](NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2)c1ccccc1 ZINC000003638576 132266782 /nfs/dbraw/zinc/26/67/82/132266782.db2.gz YHSKKFUGJDDIMU-INIZCTEOSA-N 0 0 436.964 5.470 50 0 aggregator IKAARN C[C@@H](NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2)c1ccccc1 ZINC000003638578 132266797 /nfs/dbraw/zinc/26/67/97/132266797.db2.gz YHSKKFUGJDDIMU-MRXNPFEDSA-N 0 0 436.964 5.470 50 0 aggregator IKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 ZINC000003638616 132266798 /nfs/dbraw/zinc/26/67/98/132266798.db2.gz PGVRDPKGXJVNPN-UHFFFAOYSA-N 0 0 440.996 5.599 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645354 132266909 /nfs/dbraw/zinc/26/69/09/132266909.db2.gz UNTQUXGWPFVYMK-UHFFFAOYSA-N 0 0 440.927 5.048 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2 ZINC000003645528 132266915 /nfs/dbraw/zinc/26/69/15/132266915.db2.gz WOVJTHIJSCHMGL-IFXJQAMLSA-N 0 0 446.975 5.427 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2 ZINC000003645534 132266938 /nfs/dbraw/zinc/26/69/38/132266938.db2.gz WOVJTHIJSCHMGL-KUHUBIRLSA-N 0 0 446.975 5.427 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(F)c(Oc3ccccc3)c2)N1c1ccc(F)cc1 ZINC000003671868 132267705 /nfs/dbraw/zinc/26/77/05/132267705.db2.gz AUXFUDUBMSYLMF-VWLOTQADSA-N 0 0 428.438 6.528 50 0 IKAARN CC(=O)N1c2ccccc2C(c2ccccc2)(c2ccccc2)O[C@H]1/C=C/c1ccccc1 ZINC000004012177 132268582 /nfs/dbraw/zinc/26/85/82/132268582.db2.gz DUXSABVZZZUSPH-PZUPEONZSA-N 0 0 431.535 6.401 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000004109861 132270003 /nfs/dbraw/zinc/27/00/03/132270003.db2.gz JFIFWGHRMLYNPQ-WEVVVXLNSA-N 0 0 443.296 6.654 50 0 IKAARN Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(-c2ccccc2[O-])n1 ZINC000004647324 132272608 /nfs/dbraw/zinc/27/26/08/132272608.db2.gz JGHJPSFKSHJTPI-UHFFFAOYSA-N 0 0 436.559 5.069 50 0 IKAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000004703981 132272735 /nfs/dbraw/zinc/27/27/35/132272735.db2.gz DHSVTFWFAGBJSR-UHFFFAOYSA-N 0 0 427.976 5.164 50 0 IKAARN COc1cc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc(OC)c1OC ZINC000004757584 132273385 /nfs/dbraw/zinc/27/33/85/132273385.db2.gz OTCKLCWCJRMQQH-UHFFFAOYSA-N 0 0 449.551 5.058 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000006089565 132276208 /nfs/dbraw/zinc/27/62/08/132276208.db2.gz VRGOSFOPRVVGTE-OAQYLSRUSA-N 0 0 441.314 5.941 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNNc3c(C)cc(C)cc3C)C2=O)c(C)c1 ZINC000006620093 132277977 /nfs/dbraw/zinc/27/79/77/132277977.db2.gz XTAKTGJGUUPKIC-HAHDFKILSA-N 0 0 425.532 5.373 50 0 IKAARN COc1ccc(CN2CC3(Cc4c5ccccc5ccc42)C(=O)CC(C)(C)CC3=O)cc1 ZINC000006659239 132278165 /nfs/dbraw/zinc/27/81/65/132278165.db2.gz JHDWEXCFSZNVNN-UHFFFAOYSA-N 0 0 427.544 5.356 50 0 IKAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)c4ccccc4C)CC3)n2)c1 ZINC000006833713 132279367 /nfs/dbraw/zinc/27/93/67/132279367.db2.gz UBRWALNEAVMETR-UHFFFAOYSA-N 0 0 428.580 5.155 50 0 IKAARN O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)N1c2ccccc2Sc2ccccc21 ZINC000008425611 132281743 /nfs/dbraw/zinc/28/17/43/132281743.db2.gz GOYXEOVOLHYMMS-UHFFFAOYSA-N 0 0 436.492 5.265 50 0 IKAARN CC1=NN(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccccc2)c2ccccc21 ZINC000008442460 132282127 /nfs/dbraw/zinc/28/21/27/132282127.db2.gz TZJXWXYYKGLHLR-MUUNZHRXSA-N 0 0 446.579 6.656 50 0 IKAARN CC(=O)c1ccc(N2C(=O)C(c3ccccc3)=C(c3ccccc3)O[C@@H]2c2ccccc2)cc1 ZINC000008452107 132282422 /nfs/dbraw/zinc/28/24/22/132282422.db2.gz MZFOUAQJNBRGEQ-SSEXGKCCSA-N 0 0 445.518 6.520 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)nn2)cc1 ZINC000008592547 132284210 /nfs/dbraw/zinc/28/42/10/132284210.db2.gz ZIROKSWMYLYXIS-QGZVFWFLSA-N 0 0 438.984 5.445 50 0 aggregator IKAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)nn2)cc1 ZINC000008592490 132284216 /nfs/dbraw/zinc/28/42/16/132284216.db2.gz DPIXUUPCTACMEV-UHFFFAOYSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)nn2)cc1 ZINC000008592545 132284256 /nfs/dbraw/zinc/28/42/56/132284256.db2.gz ZIROKSWMYLYXIS-KRWDZBQOSA-N 0 0 438.984 5.445 50 0 aggregator IKAARN Cc1ccc(N2C(=O)CCS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1F ZINC000008597450 132285522 /nfs/dbraw/zinc/28/55/22/132285522.db2.gz FHBGTXJIJNHYKH-VWLOTQADSA-N 0 0 432.520 5.004 50 0 aggregator IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)C[C@@H]2C)c1 ZINC000008599282 132285901 /nfs/dbraw/zinc/28/59/01/132285901.db2.gz QFWRWWLENMJNFJ-SFHVURJKSA-N 0 0 433.983 5.426 50 0 IKAARN Cc1ccc(C)c(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000008608299 132287425 /nfs/dbraw/zinc/28/74/25/132287425.db2.gz MXFYKGVAYHNKEK-UHFFFAOYSA-N 0 0 444.915 5.431 50 0 aggregator IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(Cl)cc4)ccc32)cc1 ZINC000008608692 132287772 /nfs/dbraw/zinc/28/77/72/132287772.db2.gz UXSHEXNFCXSSHM-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 aggregator IKAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000008608763 132287825 /nfs/dbraw/zinc/28/78/25/132287825.db2.gz YYLUIPXUVVIIGE-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 aggregator IKAARN Cc1cccc(CNC(=O)c2ccc(NC(=O)N3C[C@H](C)Sc4ccccc43)cc2)c1 ZINC000008610328 132288196 /nfs/dbraw/zinc/28/81/96/132288196.db2.gz CFNGTRZAEAOUFJ-SFHVURJKSA-N 0 0 431.561 5.458 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(NC(=O)N3C[C@@H](C)Sc4ccccc43)cc2)c1 ZINC000008610330 132288211 /nfs/dbraw/zinc/28/82/11/132288211.db2.gz CFNGTRZAEAOUFJ-GOSISDBHSA-N 0 0 431.561 5.458 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccccc1)N1CCCc2ccccc21 ZINC000008619658 132288837 /nfs/dbraw/zinc/28/88/37/132288837.db2.gz YYEPHWCETVTBNG-UHFFFAOYSA-N 0 0 425.557 5.292 50 0 IKAARN O=C(C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1)N1CCCCCC1 ZINC000008750746 132292788 /nfs/dbraw/zinc/29/27/88/132292788.db2.gz SXCVYXGAYHTHCO-UHFFFAOYSA-N 0 0 438.572 5.116 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1C ZINC000008757037 132292842 /nfs/dbraw/zinc/29/28/42/132292842.db2.gz LQGFLAJPGHAATP-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000008757157 132293159 /nfs/dbraw/zinc/29/31/59/132293159.db2.gz LRAXOLZWZWBTRD-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN O=C([C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCCCC1 ZINC000008766648 132293508 /nfs/dbraw/zinc/29/35/08/132293508.db2.gz ARDNVLNUUVFXKI-IBGZPJMESA-N 0 0 449.982 5.077 50 0 IKAARN O=C(NC1CCCC1)[C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008759078 132293564 /nfs/dbraw/zinc/29/35/64/132293564.db2.gz UWJPSVYSHCDZFJ-GOSISDBHSA-N 0 0 449.982 5.124 50 0 IKAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1Cl ZINC000008857584 132296401 /nfs/dbraw/zinc/29/64/01/132296401.db2.gz WIDHMIPBRTUIMR-UHFFFAOYSA-N 0 0 433.017 5.207 50 0 IKAARN CCNC(=O)N1c2ccc(C)cc2-c2c(ss/c2=N\c2cccc(Cl)c2)C1(C)C ZINC000008869117 132296931 /nfs/dbraw/zinc/29/69/31/132296931.db2.gz OPFRTNNMEALVBW-QQTULTPQSA-N 0 0 444.025 6.455 50 0 IKAARN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc2S1 ZINC000008912237 132297646 /nfs/dbraw/zinc/29/76/46/132297646.db2.gz LPFVSQHZSVGKTA-MRXNPFEDSA-N 0 0 435.524 5.288 50 0 IKAARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000008916758 132298171 /nfs/dbraw/zinc/29/81/71/132298171.db2.gz RSALUIKCVXSWSM-UHFFFAOYSA-N 0 0 425.912 5.146 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)n[nH]2)cc1 ZINC000008934840 132298188 /nfs/dbraw/zinc/29/81/88/132298188.db2.gz WHGRAAUHUFOFGK-UHFFFAOYSA-N 0 0 430.558 5.702 50 0 IKAARN CC(=O)C1=NN(c2ccccc2Cl)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000008919647 132298300 /nfs/dbraw/zinc/29/83/00/132298300.db2.gz UVSQOFWKWRCZGI-DEOSSOPVSA-N 0 0 446.963 5.850 50 0 IKAARN Cc1cc2c(cc1C)N(C(=O)CSc1nccn1C)C(C)(C)c1ssc(=S)c1-2 ZINC000008951388 132298456 /nfs/dbraw/zinc/29/84/56/132298456.db2.gz KHVPUYXROBJZMW-UHFFFAOYSA-N 0 0 447.676 5.930 50 0 IKAARN COc1ccccc1/C=C/C(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C ZINC000008984425 132299504 /nfs/dbraw/zinc/29/95/04/132299504.db2.gz KLNJOOYGTTYIBO-FFWIPWSWSA-N 0 0 440.543 5.628 50 0 IKAARN COc1cccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)C[C@@H]2C)c1 ZINC000009034275 132301228 /nfs/dbraw/zinc/30/12/28/132301228.db2.gz SASIHYJRVRVPCN-SFHVURJKSA-N 0 0 431.561 5.629 50 0 IKAARN C[C@@H]1C[C@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000009130165 132305721 /nfs/dbraw/zinc/30/57/21/132305721.db2.gz SYCJJBDJESXAPU-GCJKJVERSA-N 0 0 442.540 6.168 50 0 IKAARN COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](/C(C)=C/c2ccccc2)C1=O ZINC000009129613 132305726 /nfs/dbraw/zinc/30/57/26/132305726.db2.gz YFVRYFNPCLQFRN-QQDPUAARSA-N 0 0 446.934 5.201 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(Br)cc1 ZINC000009136279 132306448 /nfs/dbraw/zinc/30/64/48/132306448.db2.gz OBAOTSJLNVQJGG-UHFFFAOYSA-N 0 0 435.321 5.181 50 0 IKAARN CCOC(=O)c1ccc(N2COc3ccc4c(-c5ccc(C)cc5)cc(=O)oc4c3C2)cc1 ZINC000009153854 132307151 /nfs/dbraw/zinc/30/71/51/132307151.db2.gz LFRPUDJBGYGNLA-UHFFFAOYSA-N 0 0 441.483 5.302 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(N2CCC(C)CC2)n1)CCC4 ZINC000009193101 132308257 /nfs/dbraw/zinc/30/82/57/132308257.db2.gz GNVCITJMQPWEBO-UHFFFAOYSA-N 0 0 446.645 6.353 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1)N(c1ccc(C)c(F)c1)C(=O)C2 ZINC000009198915 132308390 /nfs/dbraw/zinc/30/83/90/132308390.db2.gz CXBVIUNVWIHXSA-HHHXNRCGSA-N 0 0 449.522 5.619 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 ZINC000009208744 132308673 /nfs/dbraw/zinc/30/86/73/132308673.db2.gz HDWGKRSLVSLLLK-UHFFFAOYSA-N 0 0 433.552 5.133 50 0 IKAARN Cc1ccc(N2C(=O)CCS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1C ZINC000009227906 132309961 /nfs/dbraw/zinc/30/99/61/132309961.db2.gz TZZZMOUCYMCTQT-AREMUKBSSA-N 0 0 446.547 5.312 50 0 IKAARN O=C(c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000009251975 132311063 /nfs/dbraw/zinc/31/10/63/132311063.db2.gz IWOGIAFKGKRLTM-UHFFFAOYSA-N 0 0 447.991 5.935 50 0 IKAARN Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1F ZINC000009263530 132311675 /nfs/dbraw/zinc/31/16/75/132311675.db2.gz CWQKMEWYJJDYCC-UHFFFAOYSA-N 0 0 448.548 5.543 50 0 IKAARN Clc1ccc(-c2nc3c4ccccc4oc3c(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000009282787 132312302 /nfs/dbraw/zinc/31/23/02/132312302.db2.gz KBRNHYBOLKNWEE-UHFFFAOYSA-N 0 0 440.934 6.023 50 0 IKAARN O=C1N(Cc2cccc(Cl)c2)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1 ZINC000009319326 132313615 /nfs/dbraw/zinc/31/36/15/132313615.db2.gz AASSDMCPKSCYMI-UHFFFAOYSA-N 0 0 433.316 5.329 50 0 IKAARN CCN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 ZINC000009313266 132313631 /nfs/dbraw/zinc/31/36/31/132313631.db2.gz GYHGEWJTTSZVPM-UHFFFAOYSA-N 0 0 449.982 5.313 50 0 IKAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c2ccccc2O1 ZINC000009406020 132315413 /nfs/dbraw/zinc/31/54/13/132315413.db2.gz GRYGYWTYKABJPC-LJQANCHMSA-N 0 0 441.959 5.097 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c3n2CCCCC3)cc1 ZINC000009406744 132315664 /nfs/dbraw/zinc/31/56/64/132315664.db2.gz BISBBHPWPPIIAL-QFIPXVFZSA-N 0 0 442.607 5.244 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3n2CCCCC3)cc1 ZINC000009406747 132315682 /nfs/dbraw/zinc/31/56/82/132315682.db2.gz XYFBQXYCVYDGIW-UHFFFAOYSA-N 0 0 448.998 5.201 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCc3ccccc32)[C@@H]1c1cccs1 ZINC000009432968 132317307 /nfs/dbraw/zinc/31/73/07/132317307.db2.gz OIXNXPQUFWPSPX-DQEYMECFSA-N 0 0 444.600 5.664 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000009434902 132317431 /nfs/dbraw/zinc/31/74/31/132317431.db2.gz NIHRPBXDJUEBEG-GYCJOSAFSA-N 0 0 436.914 6.012 50 0 IKAARN Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nnc2sc3ccccc3n12 ZINC000009452982 132318125 /nfs/dbraw/zinc/31/81/25/132318125.db2.gz DZHLVWGTMUFFFT-HNNXBMFYSA-N 0 0 436.606 5.664 50 0 IKAARN Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nnc2sc3ccccc3n12 ZINC000009452975 132318129 /nfs/dbraw/zinc/31/81/29/132318129.db2.gz DZHLVWGTMUFFFT-OAHLLOKOSA-N 0 0 436.606 5.664 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)o1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009463573 132318227 /nfs/dbraw/zinc/31/82/27/132318227.db2.gz OQPQCOSWEZPBEC-LJQANCHMSA-N 0 0 446.557 5.104 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccnn3C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009466173 132318415 /nfs/dbraw/zinc/31/84/15/132318415.db2.gz IGNLGPHCFCDLHA-GBXCKJPGSA-N 0 0 448.592 5.491 50 0 IKAARN Cc1nn2c(nc(C)cc2SCC(=O)N2CCCc3ccccc32)c1-c1ccccc1 ZINC000009500482 132319564 /nfs/dbraw/zinc/31/95/64/132319564.db2.gz LCUMCHCNVKDOTJ-UHFFFAOYSA-N 0 0 428.561 5.085 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc32)cc1 ZINC000009528937 132320546 /nfs/dbraw/zinc/32/05/46/132320546.db2.gz MVXFVISDZDQVFD-UHFFFAOYSA-N 0 0 425.532 5.382 50 0 IKAARN c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc3sc4c(c32)CCCC4)cc1 ZINC000009540629 132321106 /nfs/dbraw/zinc/32/11/06/132321106.db2.gz FZOPMCFGAUYDPT-UHFFFAOYSA-N 0 0 426.585 6.346 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)cc32)cc1 ZINC000009561486 132321558 /nfs/dbraw/zinc/32/15/58/132321558.db2.gz DTDLEMRYPRUSML-UHFFFAOYSA-N 0 0 445.950 5.727 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cc1 ZINC000009573438 132322160 /nfs/dbraw/zinc/32/21/60/132322160.db2.gz BFQYIQMZRXMHSJ-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000009595612 132322615 /nfs/dbraw/zinc/32/26/15/132322615.db2.gz JONZAZNZBAZRSR-UHFFFAOYSA-N 0 0 443.469 5.284 50 0 IKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NC3CCCCCC3)cc12 ZINC000009597990 132322765 /nfs/dbraw/zinc/32/27/65/132322765.db2.gz HFHZBXWBRXUAII-UHFFFAOYSA-N 0 0 436.600 5.091 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)C[C@H]2C)cc1 ZINC000009611673 132323444 /nfs/dbraw/zinc/32/34/44/132323444.db2.gz FRPDQYNIYRTGQF-GOSISDBHSA-N 0 0 433.983 5.426 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000009635862 132324238 /nfs/dbraw/zinc/32/42/38/132324238.db2.gz PCWQCPWEYIOBDL-UHFFFAOYSA-N 0 0 431.989 5.246 50 0 IKAARN O=C(CC1(Cc2nc3ccccc3s2)CCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000009672391 132325167 /nfs/dbraw/zinc/32/51/67/132325167.db2.gz STHCKWOZESESHR-UHFFFAOYSA-N 0 0 435.593 5.265 50 0 IKAARN Cc1ccc([C@H]2NC(=S)C3=C(Oc4ccc(Cl)cc4C3)N2c2ccc(C)c(F)c2)o1 ZINC000009673662 132325379 /nfs/dbraw/zinc/32/53/79/132325379.db2.gz LQTGQPCLYVAJSY-NRFANRHFSA-N 0 0 440.927 5.971 50 0 IKAARN Fc1cccc(N2C3=C(Cc4cc(F)ccc4O3)C(=S)N[C@@H]2c2ccc(Cl)cc2)c1 ZINC000009673656 132325383 /nfs/dbraw/zinc/32/53/83/132325383.db2.gz ZPYJOTSLILCGJB-NRFANRHFSA-N 0 0 440.902 5.901 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc(Br)ccc1Cl ZINC000009679149 132325602 /nfs/dbraw/zinc/32/56/02/132325602.db2.gz CCJGYSNMLGGNEI-UHFFFAOYSA-N 0 0 428.157 5.999 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2cccc(C)c2)c2ccccc21 ZINC000009679475 132325604 /nfs/dbraw/zinc/32/56/04/132325604.db2.gz ZBWPMGMYJKFMKL-IBVKSMDESA-N 0 0 428.532 5.293 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(N3CCOc4ccc(Cl)cc43)s2)cc1 ZINC000009686942 132325977 /nfs/dbraw/zinc/32/59/77/132325977.db2.gz YXEJCOXQAXALDD-UHFFFAOYSA-N 0 0 430.982 5.584 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000009692827 132326128 /nfs/dbraw/zinc/32/61/28/132326128.db2.gz QMNDOCPIZMEOID-CPJSRVTESA-N 0 0 444.600 5.263 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCc3cccs3)C2=O)cc1 ZINC000009692903 132326203 /nfs/dbraw/zinc/32/62/03/132326203.db2.gz CPSWSATURYKHHE-VGOFRKELSA-N 0 0 436.602 5.017 50 0 IKAARN Cc1cc(C)cc(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009708829 132326701 /nfs/dbraw/zinc/32/67/01/132326701.db2.gz BCEDPDWUKAVSPV-UHFFFAOYSA-N 0 0 445.354 5.119 50 0 IKAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000009713965 132327127 /nfs/dbraw/zinc/32/71/27/132327127.db2.gz NZKULUVAKPWMLP-AWEZNQCLSA-N 0 0 439.943 5.766 50 0 IKAARN O=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCN(c2ccccc2)CC1 ZINC000009763786 132328438 /nfs/dbraw/zinc/32/84/38/132328438.db2.gz WPCPQRVZEOAGMD-UHFFFAOYSA-N 0 0 433.364 5.156 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000009850272 132330069 /nfs/dbraw/zinc/33/00/69/132330069.db2.gz MJRSATWBHUQEJK-UHFFFAOYSA-N 0 0 437.996 5.960 50 0 IKAARN Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000009860932 132330325 /nfs/dbraw/zinc/33/03/25/132330325.db2.gz KRSFCLUIAVQDQG-AREMUKBSSA-N 0 0 438.398 7.437 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3C)[C@H]2c2ccccc2OC)cc1 ZINC000009865023 132330525 /nfs/dbraw/zinc/33/05/25/132330525.db2.gz GYQFSFXRYWUVOL-BKMJKUGQSA-N 0 0 444.531 5.135 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009934504 132332019 /nfs/dbraw/zinc/33/20/19/132332019.db2.gz QZFLMMDOIOJKKH-UHFFFAOYSA-N 0 0 440.893 5.175 50 0 IKAARN Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5ccccc5O)CC4)c23)cc1 ZINC000009951199 132332769 /nfs/dbraw/zinc/33/27/69/132332769.db2.gz NJEXVXZSPGKYSE-UHFFFAOYSA-N 0 0 444.560 5.227 50 0 IKAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(C(C)C)cc1 ZINC000011118853 132337340 /nfs/dbraw/zinc/33/73/40/132337340.db2.gz ACMPVEUKEIPHRH-UHFFFAOYSA-N 0 0 434.561 5.187 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCOCC2)cc1 ZINC000011240881 132337634 /nfs/dbraw/zinc/33/76/34/132337634.db2.gz WBHANMRETOMQRL-UHFFFAOYSA-N 0 0 446.334 5.056 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc4c(c3)CCC4)[C@H]2c2cccs2)cc1 ZINC000013040494 132343265 /nfs/dbraw/zinc/34/32/65/132343265.db2.gz RWRUBUFZHDDDPX-DHLKQENFSA-N 0 0 430.573 5.668 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)CCC4)[C@H]2c2cccs2)cc1 ZINC000013040496 132343276 /nfs/dbraw/zinc/34/32/76/132343276.db2.gz RWRUBUFZHDDDPX-RDGATRHJSA-N 0 0 430.573 5.668 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]2c2cccs2)cc1 ZINC000013041364 132343415 /nfs/dbraw/zinc/34/34/15/132343415.db2.gz OKIGMVXMUVJBFM-XXBNENTESA-N 0 0 438.980 6.141 50 0 IKAARN COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(C)c(C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC000013042163 132343540 /nfs/dbraw/zinc/34/35/40/132343540.db2.gz ZPGLYXBRLNTASV-SQHAQQRYSA-N 0 0 442.559 5.743 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000013114979 132344887 /nfs/dbraw/zinc/34/48/87/132344887.db2.gz UXSSUVMDXFZULB-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000013116982 132344946 /nfs/dbraw/zinc/34/49/46/132344946.db2.gz WAXVCMPSGKPKQY-FQEVSTJZSA-N 0 0 447.491 5.135 50 0 IKAARN CC1CCN(c2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)CC1 ZINC000013118148 132345177 /nfs/dbraw/zinc/34/51/77/132345177.db2.gz QOKQXHHSNHABTC-UHFFFAOYSA-N 0 0 437.547 5.423 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccccc2)cc1 ZINC000013119637 132345218 /nfs/dbraw/zinc/34/52/18/132345218.db2.gz BWELKUYWTJPBDZ-ZEQKJWHPSA-N 0 0 428.532 5.435 50 0 IKAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000013126952 132345334 /nfs/dbraw/zinc/34/53/34/132345334.db2.gz YHOGVJFPANMUES-UHFFFAOYSA-N 0 0 436.559 5.559 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2)[C@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 ZINC000013510784 132349075 /nfs/dbraw/zinc/34/90/75/132349075.db2.gz XKRAANNKPJEXFV-IBVKSMDESA-N 0 0 442.559 5.865 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013583832 132351114 /nfs/dbraw/zinc/35/11/14/132351114.db2.gz VZLGDOCXBZNSML-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1OC ZINC000013607709 132351450 /nfs/dbraw/zinc/35/14/50/132351450.db2.gz JLGLVFYRAOUZGR-UHFFFAOYSA-N 0 0 447.539 5.041 50 0 IKAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641520 132352392 /nfs/dbraw/zinc/35/23/92/132352392.db2.gz KTJSSUNUVICDFM-UHFFFAOYSA-N 0 0 435.483 6.051 50 0 IKAARN CCC1=NN(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2cccc(C)c2)c2ccccc21 ZINC000013659016 132352502 /nfs/dbraw/zinc/35/25/02/132352502.db2.gz LDCDDMIFSYZCDL-SANMLTNESA-N 0 0 440.572 5.896 50 0 IKAARN Cc1nn2c(nc(C)cc2N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1-c1ccc(Cl)cc1 ZINC000013812793 132354940 /nfs/dbraw/zinc/35/49/40/132354940.db2.gz JIVCNVJAFGTIEH-LJQANCHMSA-N 0 0 445.998 5.690 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2ccccc2C)c2ccccc21 ZINC000013940643 132355449 /nfs/dbraw/zinc/35/54/49/132355449.db2.gz DIVWSQVVZLOADJ-NLFFAJNJSA-N 0 0 428.532 5.293 50 0 IKAARN O=C(Nc1cc(C(=O)Nc2ccccc2N2CCCCC2)ccc1Cl)c1cccs1 ZINC000014094259 132355976 /nfs/dbraw/zinc/35/59/76/132355976.db2.gz JTUWFWJBUUIGHI-UHFFFAOYSA-N 0 0 439.968 5.896 50 0 IKAARN Brc1ccc([C@@H]2OC(c3cccs3)=Nc3cc4c(cc32)OCCO4)cc1 ZINC000012854847 518215606 /nfs/dbraw/zinc/21/56/06/518215606.db2.gz NDJBKEQTMHAMPM-IBGZPJMESA-N 0 0 428.307 5.480 50 0 IKAARN Brc1ccc([C@H](NCCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021367012 518215626 /nfs/dbraw/zinc/21/56/26/518215626.db2.gz KYKSNCCSTPCWAJ-NRFANRHFSA-N 0 0 434.337 5.421 50 0 IKAARN Brc1cncc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)c1 ZINC000035515078 518231173 /nfs/dbraw/zinc/23/11/73/518231173.db2.gz VSIAQSPHGYSSOA-UHFFFAOYSA-N 0 0 425.311 5.562 50 0 IKAARN CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cs1 ZINC000012758702 518257830 /nfs/dbraw/zinc/25/78/30/518257830.db2.gz ZWHARZDDNQWCCM-LJQANCHMSA-N 0 0 435.520 5.492 50 0 IKAARN CC(=O)c1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cs1 ZINC000012315083 518275313 /nfs/dbraw/zinc/27/53/13/518275313.db2.gz HWSGRAOFRUWQNT-JOCHJYFZSA-N 0 0 435.549 5.131 50 0 IKAARN CC(=O)c1ccc(N2CCN(C(=O)c3csc(-c4ccc(C(C)C)cc4)n3)CC2)cc1 ZINC000012523442 518348519 /nfs/dbraw/zinc/34/85/19/518348519.db2.gz MZDFVNHYPMDXHQ-UHFFFAOYSA-N 0 0 433.577 5.099 50 0 IKAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000012380098 518349302 /nfs/dbraw/zinc/34/93/02/518349302.db2.gz RZPNXVZKONZWRM-UHFFFAOYSA-N 0 0 435.527 5.067 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4C)C3=O)c2)cc1 ZINC000035180866 518381927 /nfs/dbraw/zinc/38/19/27/518381927.db2.gz PDACGDUFKIWMPK-UHFFFAOYSA-N 0 0 441.531 5.282 50 0 IKAARN CC(=O)c1cccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023333798 518435338 /nfs/dbraw/zinc/43/53/38/518435338.db2.gz BKPFZPOTVASDMJ-RUZDIDTESA-N 0 0 447.966 5.482 50 0 IKAARN CC(=O)c1cccc(NC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778729 518437213 /nfs/dbraw/zinc/43/72/13/518437213.db2.gz RXLZHJBMXRVIKI-NRFANRHFSA-N 0 0 446.894 5.504 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c1 ZINC000020616252 518442470 /nfs/dbraw/zinc/44/24/70/518442470.db2.gz COQYUFNSRKFEFD-UHFFFAOYSA-N 0 0 429.423 5.561 50 0 IKAARN CC(C)(C)C(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1 ZINC000033036285 518592225 /nfs/dbraw/zinc/59/22/25/518592225.db2.gz LWLXUCDXTRYSBH-UHFFFAOYSA-N 0 0 435.380 5.769 50 0 IKAARN CC(C)(C)C1CCC(OC(=O)CCCC(=O)NCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012364957 518604831 /nfs/dbraw/zinc/60/48/31/518604831.db2.gz QIPLPQHQFWCBSU-UHFFFAOYSA-N 0 0 447.660 5.406 50 0 IKAARN CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl ZINC000035911036 518797280 /nfs/dbraw/zinc/79/72/80/518797280.db2.gz GUQOPZUJLRPAQY-UHFFFAOYSA-N 0 0 437.348 5.126 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3c(F)cccc3Cl)o2)CC1 ZINC000011903942 518801465 /nfs/dbraw/zinc/80/14/65/518801465.db2.gz HEAXKTDNRQIPKQ-UHFFFAOYSA-N 0 0 427.929 5.269 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012801693 518842641 /nfs/dbraw/zinc/84/26/41/518842641.db2.gz IZNLVLVJQHHJNI-FQEVSTJZSA-N 0 0 438.524 5.172 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Cl)cc4)[nH]c(=O)c23)C1 ZINC000021882539 518979051 /nfs/dbraw/zinc/97/90/51/518979051.db2.gz APLXSMKHCGQPDX-ZDUSSCGKSA-N 0 0 444.000 5.360 50 0 IKAARN CC(C)(C)c1cc(-c2nnc(SCc3ccc(Cl)cc3)s2)cc(C(C)(C)C)c1O ZINC000012855933 518990251 /nfs/dbraw/zinc/99/02/51/518990251.db2.gz WSZGTAWFMBQVLP-UHFFFAOYSA-N 0 0 447.069 7.451 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2F)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023431945 519005002 /nfs/dbraw/zinc/00/50/02/519005002.db2.gz VNFMGWHBUMAIBB-UHFFFAOYSA-N 0 0 440.733 6.521 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)OCc2ccccc2)cc1 ZINC000015944877 519013551 /nfs/dbraw/zinc/01/35/51/519013551.db2.gz BDZHKFGBMINZHA-ULJHMMPZSA-N 0 0 447.962 6.152 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000020468064 519019178 /nfs/dbraw/zinc/01/91/78/519019178.db2.gz HTZSQAZCRZLURX-JOCHJYFZSA-N 0 0 445.950 6.207 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(F)c3)cc2)cc1 ZINC000035927283 519021772 /nfs/dbraw/zinc/02/17/72/519021772.db2.gz BPIAHSAJRWURHR-RUZDIDTESA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3F)c2)cc1 ZINC000035928183 519033315 /nfs/dbraw/zinc/03/33/15/519033315.db2.gz HBDUIEKSVXLMMQ-RUZDIDTESA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000035928083 519033395 /nfs/dbraw/zinc/03/33/95/519033395.db2.gz HAJPNXPGSDHODS-RUZDIDTESA-N 0 0 430.573 6.015 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035928122 519034077 /nfs/dbraw/zinc/03/40/77/519034077.db2.gz GGHZXEONHUUPFB-VWLOTQADSA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000035928085 519034096 /nfs/dbraw/zinc/03/40/96/519034096.db2.gz ZJTWFEYDVNOFCV-RUZDIDTESA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000035928140 519034359 /nfs/dbraw/zinc/03/43/59/519034359.db2.gz BVCZSGQYAFMSSC-VWLOTQADSA-N 0 0 430.573 6.015 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000035928097 519034509 /nfs/dbraw/zinc/03/45/09/519034509.db2.gz WGDOAFSOAIMLDL-HSZRJFAPSA-N 0 0 436.602 6.077 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000035928156 519034666 /nfs/dbraw/zinc/03/46/66/519034666.db2.gz JWTFDKNPDKBYIY-QHCPKHFHSA-N 0 0 436.602 6.077 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000035928155 519034829 /nfs/dbraw/zinc/03/48/29/519034829.db2.gz JUEKJWWTDPYSOX-RUZDIDTESA-N 0 0 436.621 6.282 50 0 IKAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1 ZINC000012569532 519041501 /nfs/dbraw/zinc/04/15/01/519041501.db2.gz ULDGNHDYQSRSFH-UHFFFAOYSA-N 0 0 443.572 6.334 50 0 IKAARN CC(C)(C)c1ccc([C@@H](CC(=O)N2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000035893086 519048510 /nfs/dbraw/zinc/04/85/10/519048510.db2.gz CALVOHWXRYNWBP-AREMUKBSSA-N 0 0 436.599 6.572 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012437063 519049669 /nfs/dbraw/zinc/04/96/69/519049669.db2.gz UHTUCRATYFVMHX-YTMVLYRLSA-N 0 0 432.567 7.380 50 0 IKAARN CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012437066 519051346 /nfs/dbraw/zinc/05/13/46/519051346.db2.gz UHTUCRATYFVMHX-XRKRLSELSA-N 0 0 432.567 7.380 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000033050498 519318133 /nfs/dbraw/zinc/31/81/33/519318133.db2.gz ZXBMDULVPPMHNV-UHFFFAOYSA-N 0 0 431.536 5.622 50 0 IKAARN C=Cc1ccc(CSc2nc3cc(C(=O)OCC)ccc3n2Cc2ccccn2)cc1 ZINC000023457612 519318593 /nfs/dbraw/zinc/31/85/93/519318593.db2.gz JFKIXHKBQGTZOO-UHFFFAOYSA-N 0 0 429.545 5.592 50 0 IKAARN CC(=O)C1=NN(c2ccccc2Cl)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000012436913 519372880 /nfs/dbraw/zinc/37/28/80/519372880.db2.gz UVSQOFWKWRCZGI-XMMPIXPASA-N 0 0 446.963 5.850 50 0 IKAARN CC(C)Cc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)[nH]n1 ZINC000020774351 519430544 /nfs/dbraw/zinc/43/05/44/519430544.db2.gz NGLJQATVGJEMAP-UHFFFAOYSA-N 0 0 434.559 5.265 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705388 519442948 /nfs/dbraw/zinc/44/29/48/519442948.db2.gz KWRZHJAKDLPHGU-UHFFFAOYSA-N 0 0 433.533 5.403 50 0 IKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(Cl)o2)=NO1 ZINC000035944821 519454175 /nfs/dbraw/zinc/45/41/75/519454175.db2.gz WOVUSZQFGPRYCE-OAHLLOKOSA-N 0 0 428.838 5.130 50 0 IKAARN CC(=O)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccccc1 ZINC000035829780 519466326 /nfs/dbraw/zinc/46/63/26/519466326.db2.gz XHXDCFJIFBKHMP-UHFFFAOYSA-N 0 0 425.557 5.807 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3C)OC2=O)cs1)c1ccc(C)c(C)c1 ZINC000012747557 519474066 /nfs/dbraw/zinc/47/40/66/519474066.db2.gz VBQFHPZOMDIXOQ-MTJSOVHGSA-N 0 0 431.517 5.097 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3cc(C)cc(C)c3)OC2=O)cs1)c1cccc(C)c1C ZINC000012926605 519474188 /nfs/dbraw/zinc/47/41/88/519474188.db2.gz SBHFRSNVLIAXST-MTJSOVHGSA-N 0 0 445.544 5.406 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cs1)c1ccccc1 ZINC000008825781 519474713 /nfs/dbraw/zinc/47/47/13/519474713.db2.gz SLMKOJBTFYXYNO-PLSXKVAHSA-N 0 0 437.487 5.030 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(C)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000012817972 519474794 /nfs/dbraw/zinc/47/47/94/519474794.db2.gz XTQBNKZZQNJXLC-ZHACJKMWSA-N 0 0 445.466 5.807 50 0 IKAARN CC(=O)N(c1nc(COC(=O)/C=C/c2ccsc2)cs1)c1c(C)cc(C)cc1C ZINC000022060002 519476983 /nfs/dbraw/zinc/47/69/83/519476983.db2.gz MBFGBVPKHZZSPB-AATRIKPKSA-N 0 0 426.563 5.571 50 0 IKAARN CC(=O)N(c1nc(COC(=O)/C=C/c2ccc(C)s2)cs1)c1ccc(C)cc1C ZINC000021465429 519477528 /nfs/dbraw/zinc/47/75/28/519477528.db2.gz PIWRYTCZNWBGAQ-CSKARUKUSA-N 0 0 426.563 5.571 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C)n2C2CC2)cs1)c1c(C)cc(C)cc1Cl ZINC000012907235 519478331 /nfs/dbraw/zinc/47/83/31/519478331.db2.gz RTVPGHVFLGMFAG-UHFFFAOYSA-N 0 0 448.017 5.625 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2cc(Cl)cc(Cl)c2N)cs1)c1ccccc1 ZINC000012862841 519479237 /nfs/dbraw/zinc/47/92/37/519479237.db2.gz MHVSTENNJPKFFT-UHFFFAOYSA-N 0 0 436.320 5.074 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc3n2CCCCC3)cs1)c1cccc(Cl)c1 ZINC000009218622 519479751 /nfs/dbraw/zinc/47/97/51/519479751.db2.gz SDFRJTBCFHNWMF-UHFFFAOYSA-N 0 0 433.990 5.091 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012697639 519482753 /nfs/dbraw/zinc/48/27/53/519482753.db2.gz WAAKCHNQRXOLGK-FCHUYYIVSA-N 0 0 431.561 5.314 50 0 IKAARN CC(C)Cn1c(SCc2cccc(Cl)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033076965 519489635 /nfs/dbraw/zinc/48/96/35/519489635.db2.gz SFDOQQPQVVYYFQ-UHFFFAOYSA-N 0 0 444.000 5.136 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)[C@@H](C)C(C)C)c1 ZINC000035944624 519521495 /nfs/dbraw/zinc/52/14/95/519521495.db2.gz QKWVJHKUOUVADU-SFHVURJKSA-N 0 0 444.019 5.687 50 0 IKAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000021353224 519530520 /nfs/dbraw/zinc/53/05/20/519530520.db2.gz JLLQOFWYKDVIPG-UHFFFAOYSA-N 0 0 449.620 5.305 50 0 IKAARN CC(C)C(=O)Nc1ccccc1SCc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000021888481 519530610 /nfs/dbraw/zinc/53/06/10/519530610.db2.gz OQPQINHODKWFTE-UHFFFAOYSA-N 0 0 435.574 5.310 50 0 IKAARN CC(C)N(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)c1cccc3ccccc31)CC2 ZINC000035829748 519634676 /nfs/dbraw/zinc/63/46/76/519634676.db2.gz HFPBSEZWSBOFTD-UHFFFAOYSA-N 0 0 436.559 5.340 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(C)c(C)c1 ZINC000032997405 519639800 /nfs/dbraw/zinc/63/98/00/519639800.db2.gz RFYMSEVVWDXECL-QHCPKHFHSA-N 0 0 434.565 5.348 50 0 IKAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557497 519658135 /nfs/dbraw/zinc/65/81/35/519658135.db2.gz CCEVWRLIZOMAOP-UHFFFAOYSA-N 0 0 431.583 5.055 50 0 IKAARN CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 ZINC000009666708 519682364 /nfs/dbraw/zinc/68/23/64/519682364.db2.gz DKEPOWKFZSNNCK-INIZCTEOSA-N 0 0 433.577 5.283 50 0 IKAARN CC(C)N1c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2Sc2ccccc2C1=O ZINC000021355187 519700002 /nfs/dbraw/zinc/70/00/02/519700002.db2.gz VXDNTBKNLPQHNL-UHFFFAOYSA-N 0 0 432.501 5.187 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000033037220 519701642 /nfs/dbraw/zinc/70/16/42/519701642.db2.gz CGKQZDCHHVYFRY-UHFFFAOYSA-N 0 0 438.531 5.675 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000033037222 519701740 /nfs/dbraw/zinc/70/17/40/519701740.db2.gz MLZUUGKZHJWEEF-UHFFFAOYSA-N 0 0 438.531 5.045 50 0 IKAARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000058180971 519704762 /nfs/dbraw/zinc/70/47/62/519704762.db2.gz DFLWPTSLZSWPKM-UHFFFAOYSA-N 0 0 433.505 5.233 50 0 IKAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000022131347 519706639 /nfs/dbraw/zinc/70/66/39/519706639.db2.gz ZYVJJYJDSXUUAA-UHFFFAOYSA-N 0 0 437.883 5.301 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C(C)C)nc4ccccc43)n2)c(F)c1 ZINC000014702206 519708366 /nfs/dbraw/zinc/70/83/66/519708366.db2.gz SOVYWGZKOYSFGS-UHFFFAOYSA-N 0 0 448.523 5.832 50 0 IKAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000035978670 519710121 /nfs/dbraw/zinc/71/01/21/519710121.db2.gz TUGXHHHRALNYKP-UHFFFAOYSA-N 0 0 436.531 5.349 50 0 IKAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000035980815 519710193 /nfs/dbraw/zinc/71/01/93/519710193.db2.gz XRWRZOSNUBLSCL-UHFFFAOYSA-N 0 0 438.959 5.615 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1)CCCC3 ZINC000021539290 519711385 /nfs/dbraw/zinc/71/13/85/519711385.db2.gz NAENVMLSSCLPOZ-VWLOTQADSA-N 0 0 447.648 6.564 50 0 IKAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4cccc(C)c4C)ccc3[nH]2)cc1 ZINC000033264762 519715868 /nfs/dbraw/zinc/71/58/68/519715868.db2.gz VNFCQQYJPHYYKU-UHFFFAOYSA-N 0 0 426.520 5.176 50 0 IKAARN CC(C)CN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1 ZINC000035981292 519718475 /nfs/dbraw/zinc/71/84/75/519718475.db2.gz OVVKYAARYKJQJB-UHFFFAOYSA-N 0 0 433.449 5.388 50 0 IKAARN CC(C)CN1C(=O)/C(=C\c2cccs2)N=C1SCC(=O)Nc1ccc2ccccc2c1 ZINC000035677952 519719080 /nfs/dbraw/zinc/71/90/80/519719080.db2.gz XVFPBNBBRUZFQO-FYJGNVAPSA-N 0 0 449.601 5.468 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 ZINC000020904368 519719712 /nfs/dbraw/zinc/71/97/12/519719712.db2.gz MQRINDARNOSCCE-FCHUYYIVSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@H]1c1cccs1 ZINC000020904444 519719723 /nfs/dbraw/zinc/71/97/23/519719723.db2.gz LCPUEMUJQJECLB-GKVQRAMASA-N 0 0 432.589 5.562 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccsc2)[C@H]1c1cccs1 ZINC000020904436 519719821 /nfs/dbraw/zinc/71/98/21/519719821.db2.gz JBYTWUBWGWMREQ-FCHUYYIVSA-N 0 0 438.618 5.105 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000020904372 519719985 /nfs/dbraw/zinc/71/99/85/519719985.db2.gz WFDGBVVOYKKDJG-FCHUYYIVSA-N 0 0 438.980 5.977 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000020579100 519725573 /nfs/dbraw/zinc/72/55/73/519725573.db2.gz GHOHQQRYKHOFSM-UHFFFAOYSA-N 0 0 447.926 5.210 50 0 IKAARN CC(C)CNC(=O)CN(c1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1Cl ZINC000012566676 519734436 /nfs/dbraw/zinc/73/44/36/519734436.db2.gz KHPWVGBRSLTPLX-UHFFFAOYSA-N 0 0 441.906 5.879 50 0 IKAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2c1 ZINC000012379738 519734675 /nfs/dbraw/zinc/73/46/75/519734675.db2.gz AXHPUFVZPQDDHV-UHFFFAOYSA-N 0 0 446.315 6.074 50 0 IKAARN CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000012553098 519745175 /nfs/dbraw/zinc/74/51/75/519745175.db2.gz BWWIKNUVHFJQIZ-MRXNPFEDSA-N 0 0 444.560 5.669 50 0 IKAARN CC(=O)Nc1cccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000012554739 519745199 /nfs/dbraw/zinc/74/51/99/519745199.db2.gz XRIRLDRDHLHYRG-NRFANRHFSA-N 0 0 427.426 5.456 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2cccc(C)c2)c1 ZINC000012817471 519746565 /nfs/dbraw/zinc/74/65/65/519746565.db2.gz BHKDGTPAASSGNJ-NHCUHLMSSA-N 0 0 430.548 5.511 50 0 IKAARN CC(=O)Nc1ccccc1-c1nc(CNC(=O)C2(c3ccccc3)CCCCC2)c(C)o1 ZINC000012098607 519749769 /nfs/dbraw/zinc/74/97/69/519749769.db2.gz YSBJAZKYAHSERQ-UHFFFAOYSA-N 0 0 431.536 5.127 50 0 IKAARN CC(C)CNc1nnc(SCc2csc(COc3ccc(Cl)cc3)n2)s1 ZINC000024829166 519750060 /nfs/dbraw/zinc/75/00/60/519750060.db2.gz DURGUHIHCWQIEZ-UHFFFAOYSA-N 0 0 427.020 5.587 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037385415 519766030 /nfs/dbraw/zinc/76/60/30/519766030.db2.gz CPQDNUAVLUGCKG-UHFFFAOYSA-N 0 0 436.512 5.422 50 0 IKAARN CC(C)Oc1cccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)c1 ZINC000012843078 519782550 /nfs/dbraw/zinc/78/25/50/519782550.db2.gz XOUPVGRYRAQXLP-UHFFFAOYSA-N 0 0 444.984 6.123 50 0 IKAARN CC(C)Oc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385219 519785549 /nfs/dbraw/zinc/78/55/49/519785549.db2.gz FISZRJUFLDNQDP-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385564 519785565 /nfs/dbraw/zinc/78/55/65/519785565.db2.gz HTFXCKQUIHRTQE-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000035945141 519791308 /nfs/dbraw/zinc/79/13/08/519791308.db2.gz JNMLLQQERORDDS-GOSISDBHSA-N 0 0 439.575 5.317 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035944633 519791321 /nfs/dbraw/zinc/79/13/21/519791321.db2.gz ZBRFKQKHNSGXQP-QGZVFWFLSA-N 0 0 442.003 5.441 50 0 IKAARN CC(C)[C@@H](NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)c1cccs1 ZINC000012917329 519797135 /nfs/dbraw/zinc/79/71/35/519797135.db2.gz VQIHVMGDJJXKTR-OAQYLSRUSA-N 0 0 447.622 5.126 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C1CC1 ZINC000035944701 519811981 /nfs/dbraw/zinc/81/19/81/519811981.db2.gz ZROHAUMHLFYHKL-KRWDZBQOSA-N 0 0 442.003 5.441 50 0 IKAARN CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)/C=C\c1ccccc1)c2-c1cccc2ccccc21 ZINC000008442257 519826057 /nfs/dbraw/zinc/82/60/57/519826057.db2.gz ZHYCDPOQKOCTHY-DAHFRFBJSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1F ZINC000021889737 519828939 /nfs/dbraw/zinc/82/89/39/519828939.db2.gz NETPCUOXOLGFMV-NRFANRHFSA-N 0 0 442.332 6.124 50 0 IKAARN CC(C)c1cc(N(C)Cc2ccccc2)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000036049783 519833023 /nfs/dbraw/zinc/83/30/23/519833023.db2.gz VDESYOUVOOBCCG-UHFFFAOYSA-N 0 0 446.620 5.421 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)cc1 ZINC000012816132 519833858 /nfs/dbraw/zinc/83/38/58/519833858.db2.gz DCDKFLVJWYCXKK-UHFFFAOYSA-N 0 0 434.970 5.243 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482096 519836796 /nfs/dbraw/zinc/83/67/96/519836796.db2.gz WFLKRRYSFWCKQU-RUZDIDTESA-N 0 0 435.593 5.304 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)cc1 ZINC000035462893 519836989 /nfs/dbraw/zinc/83/69/89/519836989.db2.gz CUFLKJSJDPBMIV-UHFFFAOYSA-N 0 0 426.973 5.596 50 0 IKAARN CC(C)c1ccc(NC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1 ZINC000020939663 519837205 /nfs/dbraw/zinc/83/72/05/519837205.db2.gz CATCFAWCYFNHSQ-UHFFFAOYSA-N 0 0 446.576 5.530 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000020442757 519837322 /nfs/dbraw/zinc/83/73/22/519837322.db2.gz MJLGJDHBJZMZGY-UHFFFAOYSA-N 0 0 449.545 6.027 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCC(C)CC3)ccc2F)cc1 ZINC000020664869 519837728 /nfs/dbraw/zinc/83/77/28/519837728.db2.gz AZLPMDYAGQORJY-UHFFFAOYSA-N 0 0 432.561 5.058 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 ZINC000021531230 519837744 /nfs/dbraw/zinc/83/77/44/519837744.db2.gz OVQNUKNIAOWNEV-UHFFFAOYSA-N 0 0 432.549 5.602 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000035527853 519838552 /nfs/dbraw/zinc/83/85/52/519838552.db2.gz OGWWAZHRKQGWRF-LJQANCHMSA-N 0 0 431.945 5.039 50 0 IKAARN CC(C)c1ccc([C@@H](N[C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012750942 519839328 /nfs/dbraw/zinc/83/93/28/519839328.db2.gz UGKPWVXFPQOZKT-RPBOFIJWSA-N 0 0 434.605 5.151 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192708 519839671 /nfs/dbraw/zinc/83/96/71/519839671.db2.gz YPGOBGGEMLQKLB-NOZRDPDXSA-N 0 0 447.376 6.815 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000012194452 519839680 /nfs/dbraw/zinc/83/96/80/519839680.db2.gz QDIIWHWKYDTZPI-OFNKIYASSA-N 0 0 437.337 6.408 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012765021 519841047 /nfs/dbraw/zinc/84/10/47/519841047.db2.gz XYJLKUOWXAKBAR-SDNWHVSQSA-N 0 0 426.582 5.125 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000012902025 519841100 /nfs/dbraw/zinc/84/11/00/519841100.db2.gz NZJDAPKKNGZCHX-UHFFFAOYSA-N 0 0 437.609 5.612 50 0 IKAARN CC(C)c1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1 ZINC000035533739 519841915 /nfs/dbraw/zinc/84/19/15/519841915.db2.gz UIDXPFFFYLFZBZ-HNNXBMFYSA-N 0 0 441.626 5.177 50 0 IKAARN CC(C)c1ccccc1-n1c(SCC(=O)N2C[C@H](C)C[C@H](C)C2)nnc1-c1cccnc1 ZINC000012631360 519844335 /nfs/dbraw/zinc/84/43/35/519844335.db2.gz CYTQJCQLMLWKPR-KDURUIRLSA-N 0 0 449.624 5.049 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)CCC1CCCC1 ZINC000035927547 519844547 /nfs/dbraw/zinc/84/45/47/519844547.db2.gz JXNMGODTNDZRPG-SANMLTNESA-N 0 0 436.621 6.498 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000035927485 519844657 /nfs/dbraw/zinc/84/46/57/519844657.db2.gz RYWBASNILNHSCN-SANMLTNESA-N 0 0 446.572 5.606 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000035927497 519844659 /nfs/dbraw/zinc/84/46/59/519844659.db2.gz SVXZXAVZJYGOBD-MHZLTWQESA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccccc1F ZINC000035927573 519844757 /nfs/dbraw/zinc/84/47/57/519844757.db2.gz MQNHEOLXFCLRLR-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CCC1CCC(c2ccc(C3=N/C(=C\c4c(OC)ccc5ccccc54)C(=O)O3)cc2)CC1 ZINC000020616010 519857094 /nfs/dbraw/zinc/85/70/94/519857094.db2.gz VZWVXFAYVIXZGX-ITYLOYPMSA-N 0 0 439.555 6.877 50 0 IKAARN CCC1CCC(c2ccc(C3=N/C(=C/c4cc(OC)c(OC)c(OC)c4)C(=O)O3)cc2)CC1 ZINC000020616012 519857329 /nfs/dbraw/zinc/85/73/29/519857329.db2.gz UDJLJEIJUKJQKB-HYARGMPZSA-N 0 0 449.547 5.741 50 0 IKAARN CCCC(=O)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000035686792 519862340 /nfs/dbraw/zinc/86/23/40/519862340.db2.gz DOMLIKWQWUHNLH-UHFFFAOYSA-N 0 0 439.521 7.056 50 0 IKAARN CCCC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000035887482 519869390 /nfs/dbraw/zinc/86/93/90/519869390.db2.gz BZPRXXPAQOZGEA-UHFFFAOYSA-N 0 0 442.607 5.108 50 0 IKAARN CC(C)c1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012649548 519869907 /nfs/dbraw/zinc/86/99/07/519869907.db2.gz FFVKZRJEXHQYIT-QFIPXVFZSA-N 0 0 446.938 5.784 50 0 IKAARN CCCC(=O)N1c2ccc(F)cc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1 ZINC000032997830 519870592 /nfs/dbraw/zinc/87/05/92/519870592.db2.gz GGVJOLNETHSVBT-HXUWFJFHSA-N 0 0 444.919 5.277 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@@H]1c1cccc(Cl)c1 ZINC000032997235 519870594 /nfs/dbraw/zinc/87/05/94/519870594.db2.gz LGKPDASMOMRTPE-OAQYLSRUSA-N 0 0 440.956 5.528 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCCC4)CC2)n1)CC[C@@H](C)C3 ZINC000035865769 519872506 /nfs/dbraw/zinc/87/25/06/519872506.db2.gz SLISPHQCBSJTEJ-QGZVFWFLSA-N 0 0 440.657 5.168 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035865785 519872530 /nfs/dbraw/zinc/87/25/30/519872530.db2.gz ZIYKEJQJWSFYEP-MRXNPFEDSA-N 0 0 428.646 5.024 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(Br)cc3)cc2s1 ZINC000032959425 519881013 /nfs/dbraw/zinc/88/10/13/519881013.db2.gz UAVOCIWNFJHQMA-UHFFFAOYSA-N 0 0 446.370 5.369 50 0 IKAARN CCCNC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035396257 519881864 /nfs/dbraw/zinc/88/18/64/519881864.db2.gz OBOWUXUVHLIALC-VWLOTQADSA-N 0 0 428.551 6.185 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000035980320 519883310 /nfs/dbraw/zinc/88/33/10/519883310.db2.gz LUKBOCLYUNVIIH-UHFFFAOYSA-N 0 0 438.959 5.710 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(C)C ZINC000035980836 519883333 /nfs/dbraw/zinc/88/33/33/519883333.db2.gz LSOBQFHGGVGHME-UHFFFAOYSA-N 0 0 436.556 5.218 50 0 IKAARN CCCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000035978269 519883383 /nfs/dbraw/zinc/88/33/83/519883383.db2.gz RVYVIKYDAYZPIX-UHFFFAOYSA-N 0 0 436.531 5.450 50 0 IKAARN CCCC(CCC)C(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccccc1OC ZINC000023429644 519883663 /nfs/dbraw/zinc/88/36/63/519883663.db2.gz JIYSMYXJMUUIEZ-AREMUKBSSA-N 0 0 434.580 5.876 50 0 IKAARN CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000012442310 519883927 /nfs/dbraw/zinc/88/39/27/519883927.db2.gz NWMCEIAWXQSHLD-UHFFFAOYSA-N 0 0 426.542 5.188 50 0 IKAARN CCCC(CCC)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023335649 519884218 /nfs/dbraw/zinc/88/42/18/519884218.db2.gz PQKQUKBWCLTZAD-UHFFFAOYSA-N 0 0 429.486 6.257 50 0 IKAARN CCCC(CCC)NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023434932 519884241 /nfs/dbraw/zinc/88/42/41/519884241.db2.gz QJFYJSLBKMTCFD-UHFFFAOYSA-N 0 0 436.552 5.626 50 0 IKAARN CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735384 519898228 /nfs/dbraw/zinc/89/82/28/519898228.db2.gz PMKTWLVBOMYZKL-KOEQRZSOSA-N 0 0 442.584 5.815 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cccc(F)c1F ZINC000023333010 519901167 /nfs/dbraw/zinc/90/11/67/519901167.db2.gz OYRKAADCGSAAKE-UHFFFAOYSA-N 0 0 434.508 5.210 50 0 IKAARN CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(OC)c2)n1 ZINC000034712184 519901980 /nfs/dbraw/zinc/90/19/80/519901980.db2.gz AVMMQDKQKHDZNJ-UHFFFAOYSA-N 0 0 436.455 5.166 50 0 IKAARN CCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2Cc2ccccc2)CC1 ZINC000035889799 519907494 /nfs/dbraw/zinc/90/74/94/519907494.db2.gz PRHCQWIJTSWVNS-UHFFFAOYSA-N 0 0 442.607 5.190 50 0 IKAARN CCCCC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865411 519907993 /nfs/dbraw/zinc/90/79/93/519907993.db2.gz WCMWNFWYFOHTLA-DLBZAZTESA-N 0 0 428.646 5.168 50 0 IKAARN CCCCC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849026 519908062 /nfs/dbraw/zinc/90/80/62/519908062.db2.gz FKAADRIQINUQQB-UHFFFAOYSA-N 0 0 440.657 5.457 50 0 IKAARN CCCCC(=O)N1CCN(C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022629546 519908323 /nfs/dbraw/zinc/90/83/23/519908323.db2.gz VJJIBTQESVLYPK-XMMPIXPASA-N 0 0 429.004 5.241 50 0 IKAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000034921561 519914996 /nfs/dbraw/zinc/91/49/96/519914996.db2.gz FFDZPADRVSEIAL-FQEVSTJZSA-N 0 0 437.628 6.017 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1)C1=CCCCC1 ZINC000012803203 519921677 /nfs/dbraw/zinc/92/16/77/519921677.db2.gz VYABSQHPLAEGRA-UHFFFAOYSA-N 0 0 436.581 5.293 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000035866844 519924979 /nfs/dbraw/zinc/92/49/79/519924979.db2.gz ZRKVAHARNXALJR-UHFFFAOYSA-N 0 0 436.625 5.128 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc(CCCC)nc3sc4c(c32)CCCC4)CC1 ZINC000035864972 519926584 /nfs/dbraw/zinc/92/65/84/519926584.db2.gz BWQCKROPEQZRPL-UHFFFAOYSA-N 0 0 428.646 5.142 50 0 IKAARN CCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926987 519937411 /nfs/dbraw/zinc/93/74/11/519937411.db2.gz SZCBYGXBJLTDGA-OAQYLSRUSA-N 0 0 436.499 6.003 50 0 IKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000035912096 519959185 /nfs/dbraw/zinc/95/91/85/519959185.db2.gz HIJVZHNEMXGMIX-XMMPIXPASA-N 0 0 426.582 5.773 50 0 IKAARN CCN(C(=O)[C@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(OC)cc1 ZINC000065031763 520041320 /nfs/dbraw/zinc/04/13/20/520041320.db2.gz ZIZCJHYCKFBTON-SFHVURJKSA-N 0 0 427.504 5.126 50 0 IKAARN CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1 ZINC000020904326 520057287 /nfs/dbraw/zinc/05/72/87/520057287.db2.gz INZXZCQLUUCVTR-BJKOFHAPSA-N 0 0 432.589 5.738 50 0 IKAARN CCCCCCNC(=O)c1cc(-c2ccc(F)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035708684 520092419 /nfs/dbraw/zinc/09/24/19/520092419.db2.gz LWIYMVRYAHUZFE-UHFFFAOYSA-N 0 0 434.342 6.295 50 0 IKAARN CCCCCCOc1ccc(OCCOc2ccccc2/C=C2\SC(=N)NC2=O)cc1 ZINC000013943636 520106357 /nfs/dbraw/zinc/10/63/57/520106357.db2.gz UZPNWKMQXAGXPJ-XLNRJJMWSA-N 0 0 440.565 5.242 50 0 IKAARN CCCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001839450 520107434 /nfs/dbraw/zinc/10/74/34/520107434.db2.gz KNPFGFHJBVFRNV-HHHXNRCGSA-N 0 0 432.633 6.796 50 0 IKAARN CCCCCC[C@@H](C)NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000012584021 520118654 /nfs/dbraw/zinc/11/86/54/520118654.db2.gz ZBOOXSDPGRNKQI-JOCHJYFZSA-N 0 0 436.599 7.658 50 0 IKAARN CCCCCN(Cc1cccn1Cc1cccc(Cl)c1)C(=O)c1cccc(Cl)c1 ZINC000035728902 520174706 /nfs/dbraw/zinc/17/47/06/520174706.db2.gz QMLZCTMSVJMTSG-UHFFFAOYSA-N 0 0 429.391 6.676 50 0 IKAARN CCCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(OCc2ccccc2)c1 ZINC000035768510 520196532 /nfs/dbraw/zinc/19/65/32/520196532.db2.gz CBYDEOMNBLBUHN-SANMLTNESA-N 0 0 440.587 6.575 50 0 IKAARN CC1(C(=O)Nc2ccc(Cc3ccc(NC(=O)C4(C)CCCCC4)cc3)cc2)CCCCC1 ZINC000012601278 520232818 /nfs/dbraw/zinc/23/28/18/520232818.db2.gz XBKXJVPOQWKRKS-UHFFFAOYSA-N 0 0 446.635 7.095 50 0 IKAARN CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccccc1 ZINC000016750256 520242336 /nfs/dbraw/zinc/24/23/36/520242336.db2.gz DQFMHHVQWFXXAJ-UHFFFAOYSA-N 0 0 434.860 5.422 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000012194584 520257819 /nfs/dbraw/zinc/25/78/19/520257819.db2.gz KVNZKNXBBWKINH-AJTFRIOCSA-N 0 0 446.547 6.408 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012194528 520257832 /nfs/dbraw/zinc/25/78/32/520257832.db2.gz VPKVOZMFVMSPSR-XNMGPUDCSA-N 0 0 446.978 7.151 50 0 IKAARN CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000016751016 520258729 /nfs/dbraw/zinc/25/87/29/520258729.db2.gz JTDXGCUSUDERQT-HYBUGGRVSA-N 0 0 447.531 5.086 50 0 IKAARN CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000016751010 520259163 /nfs/dbraw/zinc/25/91/63/520259163.db2.gz JTDXGCUSUDERQT-GBXCKJPGSA-N 0 0 447.531 5.086 50 0 IKAARN CCCO[C@@H]1CCCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 ZINC000012303731 520271304 /nfs/dbraw/zinc/27/13/04/520271304.db2.gz NYCGRDKVODAPCT-MRXNPFEDSA-N 0 0 437.487 5.113 50 0 IKAARN CCCCC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000023332371 520285814 /nfs/dbraw/zinc/28/58/14/520285814.db2.gz UXUANDHNKXRMSR-QGZVFWFLSA-N 0 0 425.960 5.900 50 0 IKAARN CCCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC ZINC000012601521 520291917 /nfs/dbraw/zinc/29/19/17/520291917.db2.gz ITCLXNGZLBOMCS-CFGKVWFZSA-N 0 0 439.943 5.391 50 0 IKAARN CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCC1=CCCCC1 ZINC000012659034 520295342 /nfs/dbraw/zinc/29/53/42/520295342.db2.gz PWPCKRGLIFKYPD-LFYATDHWSA-N 0 0 445.688 6.426 50 0 biogenic IKAARN CCCCCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000035723510 520323038 /nfs/dbraw/zinc/32/30/38/520323038.db2.gz JNIFKWYLWKCHOB-NRFANRHFSA-N 0 0 448.592 5.181 50 0 IKAARN CCCCCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000035723508 520323189 /nfs/dbraw/zinc/32/31/89/520323189.db2.gz JNIFKWYLWKCHOB-OAQYLSRUSA-N 0 0 448.592 5.181 50 0 IKAARN CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000012846766 520333529 /nfs/dbraw/zinc/33/35/29/520333529.db2.gz XSESGFXWUAYUHK-UHFFFAOYSA-N 0 0 446.551 5.062 50 0 IKAARN CCCCCn1cnnc1S[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000012772697 520336251 /nfs/dbraw/zinc/33/62/51/520336251.db2.gz SPVXWGGRQKXBCX-QGZVFWFLSA-N 0 0 426.611 5.739 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1 ZINC000035460969 520338679 /nfs/dbraw/zinc/33/86/79/520338679.db2.gz AAEKSADTFRZTNM-UHFFFAOYSA-N 0 0 439.475 5.111 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000012269764 520339884 /nfs/dbraw/zinc/33/98/84/520339884.db2.gz VRDUUVZGJLSMPJ-UHFFFAOYSA-N 0 0 436.405 5.860 50 0 IKAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000035171070 520340993 /nfs/dbraw/zinc/34/09/93/520340993.db2.gz LGTPTRSVCVMZDG-GOSISDBHSA-N 0 0 437.927 5.240 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000012790470 520355471 /nfs/dbraw/zinc/35/54/71/520355471.db2.gz OVXDTYGDXYTSQO-UHFFFAOYSA-N 0 0 444.000 5.277 50 0 IKAARN CCCOc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc1 ZINC000065057899 520361447 /nfs/dbraw/zinc/36/14/47/520361447.db2.gz MQFNORZIPKAZOC-UHFFFAOYSA-N 0 0 439.515 5.655 50 0 IKAARN CCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(Br)s1 ZINC000020814821 520366121 /nfs/dbraw/zinc/36/61/21/520366121.db2.gz BMZSQGCLNBVJJK-UHFFFAOYSA-N 0 0 429.383 5.638 50 0 IKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1Cc1ccccc1 ZINC000012693287 520367638 /nfs/dbraw/zinc/36/76/38/520367638.db2.gz KJQXVRBPMHYJPK-UHFFFAOYSA-N 0 0 440.465 5.397 50 0 IKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1sc(-c2ccccc2)nc1C ZINC000012901337 520369162 /nfs/dbraw/zinc/36/91/62/520369162.db2.gz VUGZWNAKOOFDEO-UHFFFAOYSA-N 0 0 447.482 5.238 50 0 IKAARN CCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)NC(C)(C)C ZINC000035805109 520441104 /nfs/dbraw/zinc/44/11/04/520441104.db2.gz XUKBEQPADVALBL-UHFFFAOYSA-N 0 0 429.630 5.196 50 0 IKAARN CCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCCC1 ZINC000035808225 520441413 /nfs/dbraw/zinc/44/14/13/520441413.db2.gz AHXHXDKQGUESAS-UHFFFAOYSA-N 0 0 444.616 5.543 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000012716949 520463551 /nfs/dbraw/zinc/46/35/51/520463551.db2.gz DCMRIXCRNOVICR-UHFFFAOYSA-N 0 0 436.886 5.038 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000012442829 520463625 /nfs/dbraw/zinc/46/36/25/520463625.db2.gz NOGQBTJRUZZYBB-UHFFFAOYSA-N 0 0 449.378 5.722 50 0 IKAARN CCCCN(CCC(=O)Nc1nnc(-c2ccccc2)s1)C(=O)C[C@@H](C)CC(C)(C)C ZINC000034881125 520487396 /nfs/dbraw/zinc/48/73/96/520487396.db2.gz QOBOFQPTECWQJI-GOSISDBHSA-N 0 0 444.645 5.625 50 0 IKAARN CCCOc1ccccc1[C@H]1SCCNc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000020442985 520487335 /nfs/dbraw/zinc/48/73/35/520487335.db2.gz IXYIWARWKFAYTO-AREMUKBSSA-N 0 0 441.600 6.576 50 0 IKAARN CCOC(=O)C1=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2N=C1CC ZINC000012529484 520508463 /nfs/dbraw/zinc/50/84/63/520508463.db2.gz WZBXFGSBZIXMSI-UHFFFAOYSA-N 0 0 447.322 5.498 50 0 IKAARN CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC000012311198 520521096 /nfs/dbraw/zinc/52/10/96/520521096.db2.gz TWPGDJCMZLPYCW-HYBUGGRVSA-N 0 0 447.406 5.738 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000015070042 520544155 /nfs/dbraw/zinc/54/41/55/520544155.db2.gz GUYOBNCZELGABQ-AREMUKBSSA-N 0 0 438.637 5.209 50 0 IKAARN CCOC(=O)C1CCC(CNC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)CC1 ZINC000033169343 520546862 /nfs/dbraw/zinc/54/68/62/520546862.db2.gz LESQZRXWIGCBLQ-UHFFFAOYSA-N 0 0 447.535 5.500 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccc(C)cc1 ZINC000020578395 520547375 /nfs/dbraw/zinc/54/73/75/520547375.db2.gz KSCVMKMJJJFUQN-UHFFFAOYSA-N 0 0 434.609 5.672 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N=C1c1ccccc1 ZINC000020578443 520548170 /nfs/dbraw/zinc/54/81/70/520548170.db2.gz WSVWBURDFFIXPX-UHFFFAOYSA-N 0 0 441.000 5.709 50 0 IKAARN CCOC(=O)C1CCN(C(=O)C[C@@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000035872110 520562290 /nfs/dbraw/zinc/56/22/90/520562290.db2.gz XXWMGBHVNDVEHV-XMMPIXPASA-N 0 0 446.591 5.293 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000008432053 520568569 /nfs/dbraw/zinc/56/85/69/520568569.db2.gz ACCXCBLWUJXEIW-OAHLLOKOSA-N 0 0 442.650 6.109 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O ZINC000021524540 520599555 /nfs/dbraw/zinc/59/95/55/520599555.db2.gz IOZPZFXMWDKLDS-SFHVURJKSA-N 0 0 425.960 5.275 50 0 IKAARN CCCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)C1=O ZINC000012420103 520600452 /nfs/dbraw/zinc/60/04/52/520600452.db2.gz UBKTWKXGFRZWRB-RUZDIDTESA-N 0 0 431.923 5.412 50 0 IKAARN CCC[C@@H](C)C(=O)N1CCN(C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022636659 520606774 /nfs/dbraw/zinc/60/67/74/520606774.db2.gz SXASOMFRQLLCIY-BWKNWUBXSA-N 0 0 443.031 5.487 50 0 IKAARN CCOc1c2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc2sc1C(=O)OC ZINC000035513024 520611876 /nfs/dbraw/zinc/61/18/76/520611876.db2.gz IEFHQNPTLPSYGX-UHFFFAOYSA-N 0 0 434.901 5.393 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(CC)cc3)cc21 ZINC000032986522 520612937 /nfs/dbraw/zinc/61/29/37/520612937.db2.gz NFLTTZVILZDIDA-UHFFFAOYSA-N 0 0 426.516 6.124 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccccc3C)cc21 ZINC000033129272 520614217 /nfs/dbraw/zinc/61/42/17/520614217.db2.gz JCBCCALBVGBAPS-UHFFFAOYSA-N 0 0 431.923 6.906 50 0 IKAARN CCOc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cn(C)nc1C)C2 ZINC000015071344 520614264 /nfs/dbraw/zinc/61/42/64/520614264.db2.gz SPORHUFVAOBKFN-UHFFFAOYSA-N 0 0 433.577 5.404 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc21 ZINC000032986515 520614353 /nfs/dbraw/zinc/61/43/53/520614353.db2.gz CJFZBLALMAOQLJ-UHFFFAOYSA-N 0 0 434.442 5.840 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000033129274 520614766 /nfs/dbraw/zinc/61/47/66/520614766.db2.gz YASUTVCBULFMTK-UHFFFAOYSA-N 0 0 449.913 7.045 50 0 IKAARN CCOc1cc(Br)c(CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OCC ZINC000017345947 520649009 /nfs/dbraw/zinc/64/90/09/520649009.db2.gz QNPBNQOUEXFBLZ-UHFFFAOYSA-N 0 0 440.765 5.698 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(Br)c1OC ZINC000012901488 520668637 /nfs/dbraw/zinc/66/86/37/520668637.db2.gz GJPPKAYCHMYAIM-UHFFFAOYSA-N 0 0 433.327 5.232 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc(OCC)c1OCC ZINC000001065280 520669469 /nfs/dbraw/zinc/66/94/69/520669469.db2.gz QAWDXFVOHQFGGP-UHFFFAOYSA-N 0 0 446.975 5.779 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000003000733 520723261 /nfs/dbraw/zinc/72/32/61/520723261.db2.gz QFOIPZBBAXPATQ-UHFFFAOYSA-N 0 0 444.553 5.637 50 0 IKAARN CCC[C@@H](NC(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccccc1 ZINC000012820905 520734475 /nfs/dbraw/zinc/73/44/75/520734475.db2.gz KMRJXAUNYVZARD-QGZVFWFLSA-N 0 0 446.370 5.249 50 0 IKAARN CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000012599383 520746748 /nfs/dbraw/zinc/74/67/48/520746748.db2.gz JYKFBMVOAOFWHI-IIBYNOLFSA-N 0 0 438.572 5.557 50 0 IKAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC12CC3CC(CC(C3)C1)C2 ZINC000012658194 520755507 /nfs/dbraw/zinc/75/55/07/520755507.db2.gz XZSGOAINOJPZLP-ZSBIDBKNSA-N 0 0 441.619 6.524 50 0 IKAARN CCN(CC)P(=NC(=S)Nc1ccc(Cl)cc1)(c1ccccc1)N(CC)CC ZINC000012583192 520761407 /nfs/dbraw/zinc/76/14/07/520761407.db2.gz IYZYNALOTJRQSS-UHFFFAOYSA-N 0 0 436.993 6.077 50 0 IKAARN CCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017094788 520784963 /nfs/dbraw/zinc/78/49/63/520784963.db2.gz KJAFVLQJLGZUQP-JCFBCRGFSA-N 0 0 426.420 5.113 50 0 IKAARN CCOc1cc2c(cc1NC(=O)C1C[C@H]3CCC[C@@H](C1)C31SCCS1)O[C@@H](C)C2 ZINC000018238574 520794957 /nfs/dbraw/zinc/79/49/57/520794957.db2.gz FBOZOGKQJUWOAD-MIGBEJBISA-N 0 0 433.639 5.350 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000020446224 520797517 /nfs/dbraw/zinc/79/75/17/520797517.db2.gz AVBARTAXUMAFTE-AREMUKBSSA-N 0 0 435.495 5.310 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(Cl)c1)N(c1ccc(CC)cc1)C(=O)C2 ZINC000020446102 520798696 /nfs/dbraw/zinc/79/86/96/520798696.db2.gz ZZPQZYJCZOMRBJ-HHHXNRCGSA-N 0 0 449.978 6.379 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)c1)N(c1ccc(C)c(Cl)c1)C(=O)C2 ZINC000020867956 520800058 /nfs/dbraw/zinc/80/00/58/520800058.db2.gz OUEFQYJJQQIZMF-MHZLTWQESA-N 0 0 449.978 6.433 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000012564479 520807998 /nfs/dbraw/zinc/80/79/98/520807998.db2.gz XCBRVFSWABUGAQ-MRXNPFEDSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@H](C)Oc3ccccc3)n2)cc1 ZINC000012442173 520810440 /nfs/dbraw/zinc/81/04/40/520810440.db2.gz CYJHVYWCPDZEMW-KRWDZBQOSA-N 0 0 448.548 5.109 50 0 IKAARN CCOc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1 ZINC000020441989 520810499 /nfs/dbraw/zinc/81/04/99/520810499.db2.gz DFPBYLLHAIOZIT-UHFFFAOYSA-N 0 0 439.540 5.942 50 0 IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccc(C)cc3)n2)cc1 ZINC000012442179 520811656 /nfs/dbraw/zinc/81/16/56/520811656.db2.gz CAFYBPIVNBHLRQ-UHFFFAOYSA-N 0 0 448.548 5.029 50 0 IKAARN CCOc1ccc(-c2nc(COC(=O)Cc3c(F)cccc3Cl)cs2)cc1OC ZINC000012635384 520817467 /nfs/dbraw/zinc/81/74/67/520817467.db2.gz AJZYUVRBKNIZGK-UHFFFAOYSA-N 0 0 435.904 5.296 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C(C)C)c(C)o2)cc1 ZINC000017314944 520818103 /nfs/dbraw/zinc/81/81/03/520818103.db2.gz PHOZISQLFYZESW-UHFFFAOYSA-N 0 0 435.549 5.632 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)cc1 ZINC000022151839 520819703 /nfs/dbraw/zinc/81/97/03/520819703.db2.gz SYKCLMIWUAMJRJ-UHFFFAOYSA-N 0 0 448.617 6.018 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)Nc3ccccc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000020996400 520823680 /nfs/dbraw/zinc/82/36/80/520823680.db2.gz IPSWEYDVFANNIH-UHFFFAOYSA-N 0 0 436.515 5.597 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3)c3c2cnc2ccccc32)cc1 ZINC000020996422 520823891 /nfs/dbraw/zinc/82/38/91/520823891.db2.gz JPGGMZZZRJUFQR-UHFFFAOYSA-N 0 0 436.515 5.597 50 0 IKAARN CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OCC ZINC000015670039 520827183 /nfs/dbraw/zinc/82/71/83/520827183.db2.gz LSCKRFXOZFJCTB-UHFFFAOYSA-N 0 0 429.904 5.067 50 0 IKAARN CCC[C@@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)c(C)nn32)C1 ZINC000035325700 520829717 /nfs/dbraw/zinc/82/97/17/520829717.db2.gz LFUFMOQMCCVZIM-QGZVFWFLSA-N 0 0 433.958 7.069 50 0 IKAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nccn2C(F)F)cc1 ZINC000014703433 520834220 /nfs/dbraw/zinc/83/42/20/520834220.db2.gz ICMYDJIGLZDMCL-UHFFFAOYSA-N 0 0 441.507 5.141 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2S[C@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000012542171 520836936 /nfs/dbraw/zinc/83/69/36/520836936.db2.gz YNDYUKFUZSEFRK-LJQANCHMSA-N 0 0 449.620 5.912 50 0 IKAARN CCOc1ccc(-n2c3nc(C)n(Cc4ccccc4Cl)c(=O)c3sc2=S)cc1 ZINC000012411999 520837417 /nfs/dbraw/zinc/83/74/17/520837417.db2.gz WEJMGICMHHBMGG-UHFFFAOYSA-N 0 0 443.981 5.387 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000012538130 520837441 /nfs/dbraw/zinc/83/74/41/520837441.db2.gz BDUWUTCBGOUMLD-UHFFFAOYSA-N 0 0 429.545 5.106 50 0 IKAARN CCOc1ccc(-n2nc(C(=O)N(C)c3cc(Cl)ccc3C)c3ccccc3c2=O)cc1 ZINC000020804915 520839481 /nfs/dbraw/zinc/83/94/81/520839481.db2.gz JRCBPLULVRAPEL-UHFFFAOYSA-N 0 0 447.922 5.023 50 0 IKAARN CCCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725355 520846262 /nfs/dbraw/zinc/84/62/62/520846262.db2.gz MNUIMVRJVXQXGG-MRXNPFEDSA-N 0 0 448.548 5.144 50 0 IKAARN CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(OCC)c1 ZINC000001416745 520850499 /nfs/dbraw/zinc/85/04/99/520850499.db2.gz RBZOSXJXJXOCLC-VXLYETTFSA-N 0 0 435.904 5.513 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OCC ZINC000012682793 520872143 /nfs/dbraw/zinc/87/21/43/520872143.db2.gz UQIGEBGVZOLEHL-UHFFFAOYSA-N 0 0 432.492 5.918 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nnc(COc3cc(C)ccc3C(C)C)s2)cc1 ZINC000017056312 520872431 /nfs/dbraw/zinc/87/24/31/520872431.db2.gz RQWLGVCQCLCEHR-UHFFFAOYSA-N 0 0 439.581 5.980 50 0 IKAARN CCCCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016044039 520872856 /nfs/dbraw/zinc/87/28/56/520872856.db2.gz RIYZGVZKORHVKM-GJZGRUSLSA-N 0 0 438.351 5.595 50 0 IKAARN CCCCOc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)cc1 ZINC000015978159 520874044 /nfs/dbraw/zinc/87/40/44/520874044.db2.gz AITWSBYFRIMUQY-RUZDIDTESA-N 0 0 447.531 5.801 50 0 IKAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O ZINC000021936144 520894257 /nfs/dbraw/zinc/89/42/57/520894257.db2.gz VUHSNAVHHDKHNF-PMACEKPBSA-N 0 0 448.592 5.213 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000009310926 520895795 /nfs/dbraw/zinc/89/57/95/520895795.db2.gz GNABHKPXYBDHEA-JDXGNMNLSA-N 0 0 448.566 7.261 50 0 IKAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(C)cc2)cc1 ZINC000020680576 520896312 /nfs/dbraw/zinc/89/63/12/520896312.db2.gz HEBIRSIDRYKICL-MHZLTWQESA-N 0 0 448.607 5.419 50 0 IKAARN CCOc1ccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1OCC ZINC000017315460 520908514 /nfs/dbraw/zinc/90/85/14/520908514.db2.gz MNJLZYORJZOAJY-UHFFFAOYSA-N 0 0 444.984 5.542 50 0 IKAARN CCCCOc1ccccc1-c1cc(-c2nc(-c3ccc(Br)cc3)no2)n[nH]1 ZINC000020986686 520908651 /nfs/dbraw/zinc/90/86/51/520908651.db2.gz MXGSFBGJVXXGRY-UHFFFAOYSA-N 0 0 439.313 5.735 50 0 IKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc1 ZINC000035671746 520921690 /nfs/dbraw/zinc/92/16/90/520921690.db2.gz MNMKTTHGUFMTHZ-UHFFFAOYSA-N 0 0 443.528 5.713 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000245318969 520929569 /nfs/dbraw/zinc/92/95/69/520929569.db2.gz YJZAGXVKNCQZCB-OZXSUGGESA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000248379484 520930120 /nfs/dbraw/zinc/93/01/20/520930120.db2.gz MYZOPMPZJVTFQF-VWNXMTODSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012196572 520930178 /nfs/dbraw/zinc/93/01/78/520930178.db2.gz BDXPVCDDWVGIKZ-RCZVLFRGSA-N 0 0 436.458 5.614 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000012196612 520932724 /nfs/dbraw/zinc/93/27/24/520932724.db2.gz GEVDRPVWKFXUFD-SQHAQQRYSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc(CC(=O)Nc2c3cc(Cl)ccc3oc2C(=O)C2CC2)cc1OCC ZINC000000720077 520938007 /nfs/dbraw/zinc/93/80/07/520938007.db2.gz QFAQLJJQHLRAOP-UHFFFAOYSA-N 0 0 441.911 5.658 50 0 IKAARN CCOc1ccc(CCNC(=O)CCc2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000015678433 520949696 /nfs/dbraw/zinc/94/96/96/520949696.db2.gz FAGBKCRELCFCII-UHFFFAOYSA-N 0 0 440.587 5.688 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1OCC ZINC000021089482 520953051 /nfs/dbraw/zinc/95/30/51/520953051.db2.gz YEPGXZXKTOLTFU-UHFFFAOYSA-N 0 0 430.504 5.265 50 0 IKAARN CCOc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 ZINC000012807223 520960381 /nfs/dbraw/zinc/96/03/81/520960381.db2.gz NHWDJFCARVFGLN-UHFFFAOYSA-N 0 0 427.504 5.383 50 0 IKAARN CC1CCN(C(=O)CCN(C(=O)c2ccc(Cl)cc2Cl)C2CCCCC2)CC1 ZINC000035686801 520974116 /nfs/dbraw/zinc/97/41/16/520974116.db2.gz ZHIIVDDRWOEWJB-UHFFFAOYSA-N 0 0 425.400 5.417 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997117 520980929 /nfs/dbraw/zinc/98/09/29/520980929.db2.gz KGXSMAPVMNCKDY-QHCPKHFHSA-N 0 0 434.565 5.573 50 0 IKAARN CCOC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1OC ZINC000012413601 520996616 /nfs/dbraw/zinc/99/66/16/520996616.db2.gz PICAMYQGQPFUSW-UHFFFAOYSA-N 0 0 441.487 5.731 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc(N3CCOc4ccc(Cl)cc43)s2)cc1 ZINC000021154634 520998539 /nfs/dbraw/zinc/99/85/39/520998539.db2.gz SYOUTTHRNNFSHH-UHFFFAOYSA-N 0 0 428.941 5.261 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl ZINC000022672998 521017662 /nfs/dbraw/zinc/01/76/62/521017662.db2.gz ZZLHLURWXCROIV-OSPHWJPCSA-N 0 0 429.988 6.048 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000035927375 521021754 /nfs/dbraw/zinc/02/17/54/521021754.db2.gz DKFGDJMICCOZDF-GYCJOSAFSA-N 0 0 440.565 5.349 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928502 521021811 /nfs/dbraw/zinc/02/18/11/521021811.db2.gz CKVYUZCREVIGJH-CJAUYULYSA-N 0 0 439.625 5.686 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)c1 ZINC000035928274 521023526 /nfs/dbraw/zinc/02/35/26/521023526.db2.gz PNFAOMCQEWGNPS-IQMFZBJNSA-N 0 0 432.536 5.898 50 0 IKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000017123384 521030098 /nfs/dbraw/zinc/03/00/98/521030098.db2.gz ADVGETHEAVMOEJ-UHFFFAOYSA-N 0 0 446.934 5.736 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000035912137 521034365 /nfs/dbraw/zinc/03/43/65/521034365.db2.gz VEQTUTPQJJVWIA-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(SC)cc2)cc1 ZINC000015413368 521034383 /nfs/dbraw/zinc/03/43/83/521034383.db2.gz FDXXGXHMOSZMNY-RUZDIDTESA-N 0 0 446.572 5.237 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000035912060 521036284 /nfs/dbraw/zinc/03/62/84/521036284.db2.gz SEWDTJBZGTWIIL-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035912122 521037755 /nfs/dbraw/zinc/03/77/55/521037755.db2.gz XDDUVEPZJYDFGM-DEOSSOPVSA-N 0 0 436.508 5.255 50 0 IKAARN CCC[C@H](C)NC(=O)/C=C\c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 ZINC000096947923 521043158 /nfs/dbraw/zinc/04/31/58/521043158.db2.gz ROPHKQDEBAJEJS-XPSMFNQNSA-N 0 0 425.476 5.165 50 0 IKAARN CC1CCN(c2ccc(NC(=O)Cn3c4ccccc4nc3-c3cscn3)cc2)CC1 ZINC000012540933 521043877 /nfs/dbraw/zinc/04/38/77/521043877.db2.gz VBKBJYHJCVRYQF-UHFFFAOYSA-N 0 0 431.565 5.035 50 0 IKAARN CCC[C@H](C)NC(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 ZINC000012782457 521044030 /nfs/dbraw/zinc/04/40/30/521044030.db2.gz ROPHKQDEBAJEJS-LXKVQUBZSA-N 0 0 425.476 5.165 50 0 IKAARN CC1CCN(c2ccc(NC(=O)CN[C@H](c3cccs3)c3ccc(F)cc3)cc2)CC1 ZINC000012595316 521044630 /nfs/dbraw/zinc/04/46/30/521044630.db2.gz FNLHOCYKFXYOER-VWLOTQADSA-N 0 0 437.584 5.441 50 0 IKAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2sc3ccccc3c2Cl)cc1OCC ZINC000012895054 521058737 /nfs/dbraw/zinc/05/87/37/521058737.db2.gz VYXZRPPJGMJHLO-UHFFFAOYSA-N 0 0 446.956 5.063 50 0 IKAARN CCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2cccc(SC)c2)cc1 ZINC000012411898 521065831 /nfs/dbraw/zinc/06/58/31/521065831.db2.gz PUGODGFLKWWEKF-UHFFFAOYSA-N 0 0 436.533 5.077 50 0 IKAARN CCOc1ccc(NC(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccco2)cc1 ZINC000034922389 521080715 /nfs/dbraw/zinc/08/07/15/521080715.db2.gz PYORUGZRPJRHGY-UHFFFAOYSA-N 0 0 447.491 5.576 50 0 IKAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C(C)C ZINC000036052010 521085731 /nfs/dbraw/zinc/08/57/31/521085731.db2.gz VPBPARPBOVELMG-UHFFFAOYSA-N 0 0 438.959 5.087 50 0 IKAARN CCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C1CCCCC1 ZINC000035944667 521088860 /nfs/dbraw/zinc/08/88/60/521088860.db2.gz VGJYBPYDQXHGCW-UHFFFAOYSA-N 0 0 442.003 5.730 50 0 IKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000035977083 521089443 /nfs/dbraw/zinc/08/94/43/521089443.db2.gz QFUZVGCOSCYDNF-HSZRJFAPSA-N 0 0 433.552 5.199 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1 ZINC000021894199 521091007 /nfs/dbraw/zinc/09/10/07/521091007.db2.gz HJCKKHFULJRUDS-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1 ZINC000021891304 521091965 /nfs/dbraw/zinc/09/19/65/521091965.db2.gz YAUOOCMIUSKFSP-XMMPIXPASA-N 0 0 429.545 6.075 50 0 IKAARN CCOc1ccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033008353 521097676 /nfs/dbraw/zinc/09/76/76/521097676.db2.gz VAPUSXNLYOPIID-UHFFFAOYSA-N 0 0 446.532 5.900 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000033129541 521099385 /nfs/dbraw/zinc/09/93/85/521099385.db2.gz DRTZICCPFRLUJL-UHFFFAOYSA-N 0 0 438.553 5.858 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733522 521100773 /nfs/dbraw/zinc/10/07/73/521100773.db2.gz WWCBVFOGWMNSCK-QGZVFWFLSA-N 0 0 429.476 5.208 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)C1 ZINC000035872129 521104979 /nfs/dbraw/zinc/10/49/79/521104979.db2.gz DNGAOYVGWYPHAB-VWNXMTODSA-N 0 0 446.591 5.293 50 0 IKAARN CCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cc2ccc(NC(=O)[C@H]3C[C@H]3CCCC)cc2)cc1 ZINC000239331281 521115588 /nfs/dbraw/zinc/11/55/88/521115588.db2.gz KKKBEGWHBISOTA-YWUUFRFPSA-N 0 0 446.635 6.807 50 0 IKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000021787292 521119287 /nfs/dbraw/zinc/11/92/87/521119287.db2.gz XTRBLJYCPPWOPH-QFIPXVFZSA-N 0 0 425.960 5.541 50 0 IKAARN CCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccccc1 ZINC000012746440 521121542 /nfs/dbraw/zinc/12/15/42/521121542.db2.gz JHUWOYBSSRCYHA-VWLOTQADSA-N 0 0 444.575 5.358 50 0 IKAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000035769199 521124000 /nfs/dbraw/zinc/12/40/00/521124000.db2.gz OMVGJTMWKQNXHZ-UHFFFAOYSA-N 0 0 448.998 5.009 50 0 IKAARN CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000012599384 521135757 /nfs/dbraw/zinc/13/57/57/521135757.db2.gz JYKFBMVOAOFWHI-IERDGZPVSA-N 0 0 438.572 5.557 50 0 IKAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc3)ccc21 ZINC000035514539 521155113 /nfs/dbraw/zinc/15/51/13/521155113.db2.gz OALKGSGUBLUIBA-UHFFFAOYSA-N 0 0 437.543 5.107 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 ZINC000022668415 521159008 /nfs/dbraw/zinc/15/90/08/521159008.db2.gz YBZUIMQQNZUSAA-AVRWGWEMSA-N 0 0 425.569 5.403 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1c(F)cccc1Cl ZINC000023312672 521159038 /nfs/dbraw/zinc/15/90/38/521159038.db2.gz MEMQYFCKJFHLDB-FYSMJZIKSA-N 0 0 447.978 6.187 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000035927376 521162325 /nfs/dbraw/zinc/16/23/25/521162325.db2.gz DKFGDJMICCOZDF-FYSMJZIKSA-N 0 0 440.565 5.349 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910448 521162825 /nfs/dbraw/zinc/16/28/25/521162825.db2.gz JXWBTCRJUYPZBM-SIBVEZHUSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2OCC)c1 ZINC000035925016 521163169 /nfs/dbraw/zinc/16/31/69/521163169.db2.gz IXBJTGVDDDXCCL-BVZFJXPGSA-N 0 0 440.609 6.019 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1nnc(SCc2ccc(Br)cc2F)s1 ZINC000035924500 521164737 /nfs/dbraw/zinc/16/47/37/521164737.db2.gz PXADUUCVJLIXDF-NSHDSACASA-N 0 0 446.411 5.887 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1 ZINC000021914235 521168167 /nfs/dbraw/zinc/16/81/67/521168167.db2.gz BIPFXXZOHKOWMF-UHFFFAOYSA-N 0 0 448.498 5.202 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)c1 ZINC000021914507 521168714 /nfs/dbraw/zinc/16/87/14/521168714.db2.gz CBTMSRUBICVYLF-UHFFFAOYSA-N 0 0 444.535 5.371 50 0 IKAARN CCCC[C@H](CC)CNC(=O)CN1c2ccccc2S/C(=C\c2ccc(C)cc2)C1=O ZINC000020726503 521174229 /nfs/dbraw/zinc/17/42/29/521174229.db2.gz ZBTQNRRPZIEGIC-RNLRLKOUSA-N 0 0 436.621 5.807 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023336542 521179219 /nfs/dbraw/zinc/17/92/19/521179219.db2.gz UDGDJJMGJHVKDJ-SFHVURJKSA-N 0 0 443.513 6.504 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000021662783 521198109 /nfs/dbraw/zinc/19/81/09/521198109.db2.gz UAUHVBRRRPEDGI-UHFFFAOYSA-N 0 0 427.479 5.319 50 0 IKAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCCC4=CCCCC4)ccc3[nH]2)cc1 ZINC000015863794 521204429 /nfs/dbraw/zinc/20/44/29/521204429.db2.gz PGANEFKCMHJLKG-UHFFFAOYSA-N 0 0 430.552 5.123 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)[C@H](CC)c2ccccc2)c1 ZINC000035946069 521205929 /nfs/dbraw/zinc/20/59/29/521205929.db2.gz SQOBLNZLSHADHY-XMMPIXPASA-N 0 0 447.579 5.417 50 0 IKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(Br)cc3)cc2OC)s1 ZINC000033008448 521229861 /nfs/dbraw/zinc/22/98/61/521229861.db2.gz VURMQUYCDZJCKG-UHFFFAOYSA-N 0 0 449.330 5.060 50 0 IKAARN CCC(=O)Nc1nc2ccc(NC(=O)CCn3c4ccccc4c4c3CCCC4)cc2s1 ZINC000032961253 521229869 /nfs/dbraw/zinc/22/98/69/521229869.db2.gz WIFMABKTDDHNMS-UHFFFAOYSA-N 0 0 446.576 5.507 50 0 IKAARN CCC(=O)Oc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1 ZINC000034904466 521232066 /nfs/dbraw/zinc/23/20/66/521232066.db2.gz PTJXXONBTGVSOD-UHFFFAOYSA-N 0 0 433.460 5.503 50 0 IKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)cc1 ZINC000012743310 521243496 /nfs/dbraw/zinc/24/34/96/521243496.db2.gz OFPISMYVLILJSJ-QHCPKHFHSA-N 0 0 444.579 5.411 50 0 IKAARN CCOc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000013128302 521244320 /nfs/dbraw/zinc/24/43/20/521244320.db2.gz QJCHGEDIRGKIJK-VWLOTQADSA-N 0 0 434.536 5.175 50 0 IKAARN CCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193846 521246337 /nfs/dbraw/zinc/24/63/37/521246337.db2.gz JVXNBKUJGKNQMW-VWNXMTODSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC ZINC000021788056 521248436 /nfs/dbraw/zinc/24/84/36/521248436.db2.gz SVBQDQVTQDMABF-NRFANRHFSA-N 0 0 443.956 5.016 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021889220 521250806 /nfs/dbraw/zinc/25/08/06/521250806.db2.gz LEUQVAOYIJAISA-HHHXNRCGSA-N 0 0 437.543 5.691 50 0 IKAARN CCOc1ccc([C@@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868327 521251161 /nfs/dbraw/zinc/25/11/61/521251161.db2.gz JMHDKOKBJNUEFO-DQEYMECFSA-N 0 0 432.004 5.088 50 0 IKAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O ZINC000021936155 521253344 /nfs/dbraw/zinc/25/33/44/521253344.db2.gz VUHSNAVHHDKHNF-WOJBJXKFSA-N 0 0 448.592 5.213 50 0 IKAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)c(Cl)cc12 ZINC000002996587 521261101 /nfs/dbraw/zinc/26/11/01/521261101.db2.gz VSHFQYNDDLKMGH-UHFFFAOYSA-N 0 0 425.912 5.147 50 0 IKAARN CCOc1ccc([C@H](CC(=O)Nc2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530680 521261995 /nfs/dbraw/zinc/26/19/95/521261995.db2.gz GGDKTQBGNFUPOI-QHCPKHFHSA-N 0 0 444.531 5.128 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc32)cc1OC ZINC000020899471 521262751 /nfs/dbraw/zinc/26/27/51/521262751.db2.gz XSHSTPVXZKDABF-FQEVSTJZSA-N 0 0 448.950 5.791 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1 ZINC000035910139 521269819 /nfs/dbraw/zinc/26/98/19/521269819.db2.gz KQFSZYSFJXXUKE-AREMUKBSSA-N 0 0 448.563 6.199 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(C)c3)c2)cc1 ZINC000035910368 521272380 /nfs/dbraw/zinc/27/23/80/521272380.db2.gz RWUGFEAXXUDWBK-MHZLTWQESA-N 0 0 444.600 6.369 50 0 IKAARN CCCCc1ccc(N2C(=O)c3ccccc3N[C@]23c2ccccc2N(CC)C3=O)cc1 ZINC000012410931 521273591 /nfs/dbraw/zinc/27/35/91/521273591.db2.gz VPWRRIXHADBIEQ-HHHXNRCGSA-N 0 0 425.532 5.321 50 0 IKAARN CCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193851 521273809 /nfs/dbraw/zinc/27/38/09/521273809.db2.gz JVXNBKUJGKNQMW-ISKFKSNPSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC ZINC000021788060 521275591 /nfs/dbraw/zinc/27/55/91/521275591.db2.gz SVBQDQVTQDMABF-OAQYLSRUSA-N 0 0 443.956 5.016 50 0 IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)COc2ccccc2)cc1 ZINC000021715836 521275755 /nfs/dbraw/zinc/27/57/55/521275755.db2.gz GWVGJWSPADWGHC-MHZLTWQESA-N 0 0 426.516 5.120 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)cc1 ZINC000033265467 521277243 /nfs/dbraw/zinc/27/72/43/521277243.db2.gz FCLOXDBVEHFJRG-DEOSSOPVSA-N 0 0 449.620 5.839 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1 ZINC000033010785 521284649 /nfs/dbraw/zinc/28/46/49/521284649.db2.gz OWLOJCAKUDTGRT-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN CCCCc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000012410948 521286084 /nfs/dbraw/zinc/28/60/84/521286084.db2.gz ITCKZAHQEDFEIX-XMMPIXPASA-N 0 0 436.393 7.218 50 0 IKAARN CCCCc1nc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c[nH]1 ZINC000012298573 521293599 /nfs/dbraw/zinc/29/35/99/521293599.db2.gz SAPMSGUPRIQRAZ-UHFFFAOYSA-N 0 0 434.559 5.409 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3sc(COc4cccc(C)c4)nc3C)sc2c1 ZINC000035476104 521305655 /nfs/dbraw/zinc/30/56/55/521305655.db2.gz ARYCAZILWBBCSQ-UHFFFAOYSA-N 0 0 439.562 5.600 50 0 IKAARN CCOc1ccc2nc(Sc3ncnc4scc(-c5ccc(C)cc5)c43)sc2c1 ZINC000012549902 521306833 /nfs/dbraw/zinc/30/68/33/521306833.db2.gz QKANJWAXTPZGLQ-UHFFFAOYSA-N 0 0 435.599 6.826 50 0 IKAARN CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000012529885 521307409 /nfs/dbraw/zinc/30/74/09/521307409.db2.gz FBSOIDABRWFNMY-MRXNPFEDSA-N 0 0 433.533 5.873 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)nc2c1 ZINC000012529544 521307755 /nfs/dbraw/zinc/30/77/55/521307755.db2.gz YQPBQFDWQQDSKL-UHFFFAOYSA-N 0 0 430.744 5.653 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc2c1 ZINC000012530357 521307791 /nfs/dbraw/zinc/30/77/91/521307791.db2.gz YKUVTLWBLADCKU-UHFFFAOYSA-N 0 0 429.851 5.365 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(OC)cc3)c2c1 ZINC000022574230 521310320 /nfs/dbraw/zinc/31/03/20/521310320.db2.gz BTOGPZVKMBTXOD-UHFFFAOYSA-N 0 0 448.544 5.087 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000020996409 521310568 /nfs/dbraw/zinc/31/05/68/521310568.db2.gz UNKXAINLXZTHEE-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035866388 521314235 /nfs/dbraw/zinc/31/42/35/521314235.db2.gz CVXVQCDFGKSJIB-KRWDZBQOSA-N 0 0 442.673 5.244 50 0 IKAARN CCOc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1O ZINC000012578434 521328411 /nfs/dbraw/zinc/32/84/11/521328411.db2.gz JCUUSJWTBBGYKN-UHFFFAOYSA-N 0 0 430.554 6.599 50 0 IKAARN CCCc1cc(=O)oc2c1ccc1c2CN(CC(c2ccccc2)c2ccccc2)CO1 ZINC000020609821 521347998 /nfs/dbraw/zinc/34/79/98/521347998.db2.gz CXLPGPWGFNPSJE-UHFFFAOYSA-N 0 0 425.528 5.730 50 0 biogenic IKAARN CCOC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(CC)C(=O)c1ccc(Cl)cc1 ZINC000015276735 521358220 /nfs/dbraw/zinc/35/82/20/521358220.db2.gz APHPVYRBSBGIFJ-MZBJOSPHSA-N 0 0 448.902 5.338 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OC)cc2)oc1C ZINC000017271551 521360003 /nfs/dbraw/zinc/36/00/03/521360003.db2.gz SMQULQMWEJXBHV-UHFFFAOYSA-N 0 0 435.549 5.461 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccc(OC)cc2)c1C ZINC000035447854 521366315 /nfs/dbraw/zinc/36/63/15/521366315.db2.gz QBPNVNIHSYUMRT-UHFFFAOYSA-N 0 0 449.551 5.360 50 0 IKAARN CCN(Cc1ccccc1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166742 521368531 /nfs/dbraw/zinc/36/85/31/521368531.db2.gz IKIHXWKZSYWQEF-UHFFFAOYSA-N 0 0 431.966 5.018 50 0 IKAARN CCN(Cc1ccccc1)C(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000020514747 521369059 /nfs/dbraw/zinc/36/90/59/521369059.db2.gz LMLQKAPXUPBSIZ-HHHXNRCGSA-N 0 0 446.366 5.012 50 0 IKAARN CCC(C)(C)c1ccc(OCCCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C(C)(C)CC)c1 ZINC000020562881 521370462 /nfs/dbraw/zinc/37/04/62/521370462.db2.gz DDYQKMQXNMCKSX-JWQCQUIFSA-N 0 0 449.679 7.141 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000017094445 521371238 /nfs/dbraw/zinc/37/12/38/521371238.db2.gz DNAWQUAKQNEXAY-UHFFFAOYSA-N 0 0 425.506 5.170 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC=C1N=C(c2ccccc2)OC1=O ZINC000012562055 521371402 /nfs/dbraw/zinc/37/14/02/521371402.db2.gz PWIBVUKVQVYKEX-UYRXBGFRSA-N 0 0 432.501 5.157 50 0 IKAARN CCN(Cc1ccccc1)c1nc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)nc2ccccc21 ZINC000012149376 521376105 /nfs/dbraw/zinc/37/61/05/521376105.db2.gz CEJYGDHAXHBWFG-BJKOFHAPSA-N 0 0 436.559 5.076 50 0 IKAARN CCN(Cc1ccccc1)c1nc(CNC(=O)c2ccccc2SC)nc2ccccc21 ZINC000012244551 521376886 /nfs/dbraw/zinc/37/68/86/521376886.db2.gz MXEQRYWBCGMRCQ-UHFFFAOYSA-N 0 0 442.588 5.308 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N[C@H](C)c2ccccc2)sc1NC(=O)c1cccs1 ZINC000016447463 521387945 /nfs/dbraw/zinc/38/79/45/521387945.db2.gz BJGWUKFQMCHQPD-CQSZACIVSA-N 0 0 442.562 5.038 50 0 IKAARN CCCc1ccc(-c2csc(NC(=O)C=Cc3cc4cnn(C(C)C)c4[nH]c3=O)n2)cc1 ZINC000012898187 521388230 /nfs/dbraw/zinc/38/82/30/521388230.db2.gz AXJYNQKYNNHXKN-ZHACJKMWSA-N 0 0 447.564 5.033 50 0 IKAARN CCCCn1ccnc1C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000012623933 521393989 /nfs/dbraw/zinc/39/39/89/521393989.db2.gz YQLKWSJYKQDZHN-UHFFFAOYSA-N 0 0 431.539 6.796 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc3c(c21)CN(Cc1ccccc1)CO3 ZINC000012413729 521394628 /nfs/dbraw/zinc/39/46/28/521394628.db2.gz LOVRFIQOQHNIFI-UHFFFAOYSA-N 0 0 426.516 5.468 50 0 IKAARN CCOC(=O)c1c(NC(=O)CC(C)C)c(-c2ccc(OC)cc2)cn1Cc1ccccc1 ZINC000023426734 521406079 /nfs/dbraw/zinc/40/60/79/521406079.db2.gz HJMBJJSTELXSBM-UHFFFAOYSA-N 0 0 434.536 5.373 50 0 IKAARN CCCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000035399379 521407754 /nfs/dbraw/zinc/40/77/54/521407754.db2.gz MDPIGRVOQYEWGR-UHFFFAOYSA-N 0 0 449.620 5.152 50 0 biogenic IKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023427817 521409463 /nfs/dbraw/zinc/40/94/63/521409463.db2.gz LMQTZPJWPRCJAS-SFHVURJKSA-N 0 0 435.545 5.215 50 0 IKAARN CCOC(=O)c1c(NC(=O)N2C[C@H](CC)Sc3ccccc32)sc2c1CCCC2 ZINC000020531976 521410288 /nfs/dbraw/zinc/41/02/88/521410288.db2.gz PGMFDZRBBWWHCA-AWEZNQCLSA-N 0 0 430.595 5.726 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CCCCC(=O)OC)C[C@@H](C(C)(C)CC)CC2 ZINC000022345055 521414784 /nfs/dbraw/zinc/41/47/84/521414784.db2.gz YBOWIMLROPUVQH-HNNXBMFYSA-N 0 0 437.602 5.138 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1sc(-c3ccccc3)nc1C)C[C@H](C)CC2 ZINC000021785284 521418256 /nfs/dbraw/zinc/41/82/56/521418256.db2.gz SYBAAIADWHZJTQ-CYBMUJFWSA-N 0 0 440.590 5.734 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)COc2ccccc2)c1 ZINC000021715759 521418914 /nfs/dbraw/zinc/41/89/14/521418914.db2.gz MMKSMVYRCMTYJB-HHHXNRCGSA-N 0 0 426.516 5.120 50 0 IKAARN CCOC(=O)c1c2cc(OCc3cc(C(=O)OC)oc3C)ccc2oc1-c1ccccc1 ZINC000002667118 521421201 /nfs/dbraw/zinc/42/12/01/521421201.db2.gz TVVNFEGWWNFOOT-UHFFFAOYSA-N 0 0 434.444 5.544 50 0 biogenic IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000020356153 521422337 /nfs/dbraw/zinc/42/23/37/521422337.db2.gz FJUYPNYXFZLUOV-UHFFFAOYSA-N 0 0 438.955 5.939 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC3CCCC3)c2)n(-c2ccccc2F)n1 ZINC000023432116 521424821 /nfs/dbraw/zinc/42/48/21/521424821.db2.gz JZZVAJJMXFQIEZ-UHFFFAOYSA-N 0 0 435.499 5.374 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3ccccc3)c2)n(-c2cccc(C)c2)n1 ZINC000023461310 521425752 /nfs/dbraw/zinc/42/57/52/521425752.db2.gz OUPGDYOEVFVTFL-UHFFFAOYSA-N 0 0 439.515 5.206 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012340796 521427254 /nfs/dbraw/zinc/42/72/54/521427254.db2.gz VGLTZTPCYPTRTJ-UHFFFAOYSA-N 0 0 435.332 6.543 50 0 IKAARN CCOC(=O)c1cc(C(CC)CC)n(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)n1 ZINC000022655684 521430508 /nfs/dbraw/zinc/43/05/08/521430508.db2.gz ABWOWMCVVWZUFV-UHFFFAOYSA-N 0 0 425.573 5.357 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2F)c1 ZINC000035927447 521432501 /nfs/dbraw/zinc/43/25/01/521432501.db2.gz LHTOQAXMSJXRTP-VWLOTQADSA-N 0 0 434.536 5.809 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196463 521432210 /nfs/dbraw/zinc/43/22/10/521432210.db2.gz AHUSSJIDWJMZJW-WMZHIEFXSA-N 0 0 434.517 5.176 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000034797006 521432879 /nfs/dbraw/zinc/43/28/79/521432879.db2.gz XYDSWVPHEASWBX-HHHXNRCGSA-N 0 0 444.600 6.232 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000020738434 521433194 /nfs/dbraw/zinc/43/31/94/521433194.db2.gz JJSWJLJFJMRIFH-QFQXNSOFSA-N 0 0 448.494 5.484 50 0 IKAARN CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1ccccc1Cl ZINC000035928307 521434849 /nfs/dbraw/zinc/43/48/49/521434849.db2.gz MDZRPTVIZRORBI-UHFFFAOYSA-N 0 0 433.939 5.109 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000014778838 521439482 /nfs/dbraw/zinc/43/94/82/521439482.db2.gz QGRSIDUVSFJHHK-AWEZNQCLSA-N 0 0 434.483 5.648 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)N2CCc3ccccc32)c2cc(Cl)ccc2n1 ZINC000016392094 521439960 /nfs/dbraw/zinc/43/99/60/521439960.db2.gz RRDJILLVVGYDBC-UHFFFAOYSA-N 0 0 428.919 6.157 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3cccs3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602908 521445660 /nfs/dbraw/zinc/44/56/60/521445660.db2.gz SQTOPSKKIZMVGX-UHFFFAOYSA-N 0 0 431.489 5.508 50 0 IKAARN CCCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccccc1C ZINC000020858362 521447561 /nfs/dbraw/zinc/44/75/61/521447561.db2.gz SAUASKFRLVOZSZ-UHFFFAOYSA-N 0 0 426.516 5.365 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1cccc(OC(C)=O)c1C ZINC000023311845 521448235 /nfs/dbraw/zinc/44/82/35/521448235.db2.gz YVENVZYRBFWDGJ-AWEZNQCLSA-N 0 0 445.581 5.951 50 0 IKAARN CCCN(C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12)c1ccccc1C ZINC000020509053 521448582 /nfs/dbraw/zinc/44/85/82/521448582.db2.gz UXEKAOACZMISRT-UHFFFAOYSA-N 0 0 426.516 5.365 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000035944321 521483393 /nfs/dbraw/zinc/48/33/93/521483393.db2.gz DXXINPOFFZHPMF-HXUWFJFHSA-N 0 0 449.639 6.017 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cccc3C)C2=O)cc1 ZINC000012311974 521483999 /nfs/dbraw/zinc/48/39/99/521483999.db2.gz JXYWWEDPUAHCHM-XQNSMLJCSA-N 0 0 440.499 5.120 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)[C@H](C)C(C)C ZINC000035946243 521484246 /nfs/dbraw/zinc/48/42/46/521484246.db2.gz ZNVGSUVMWJAJLO-GOSISDBHSA-N 0 0 443.657 5.876 50 0 IKAARN CCN(c1cccc(C)c1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020441839 521495284 /nfs/dbraw/zinc/49/52/84/521495284.db2.gz BZJCITZUJZLGNA-HSZRJFAPSA-N 0 0 428.985 5.195 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cc2cc3ccc(OC)c(Cl)c3nc2s1 ZINC000020848022 521498725 /nfs/dbraw/zinc/49/87/25/521498725.db2.gz ICESMHIDZLZULT-UHFFFAOYSA-N 0 0 426.925 5.440 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccs2)c1 ZINC000012530979 521499137 /nfs/dbraw/zinc/49/91/37/521499137.db2.gz PFAPJOBEDSSNIW-JLHYYAGUSA-N 0 0 446.981 5.269 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000023336795 521504732 /nfs/dbraw/zinc/50/47/32/521504732.db2.gz HQESKGFDFRUPMD-QHCPKHFHSA-N 0 0 434.923 5.696 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000035924995 521514201 /nfs/dbraw/zinc/51/42/01/521514201.db2.gz NSQSDBADBTYDCZ-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000035924909 521514281 /nfs/dbraw/zinc/51/42/81/521514281.db2.gz LQELZVPZUFJROG-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000035924981 521514546 /nfs/dbraw/zinc/51/45/46/521514546.db2.gz JWOPLPAUCYTGKM-VWLOTQADSA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000035924967 521514566 /nfs/dbraw/zinc/51/45/66/521514566.db2.gz QMJGPBSBYVQNNU-QINABFTKSA-N 0 0 444.556 5.516 50 0 IKAARN CCCN(C)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCc3cccnc3)cc2)n1 ZINC000036049793 521516535 /nfs/dbraw/zinc/51/65/35/521516535.db2.gz BOADJMXSJLTNBE-UHFFFAOYSA-N 0 0 449.624 5.064 50 0 IKAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CCc1ccccc1 ZINC000035809315 521531545 /nfs/dbraw/zinc/53/15/45/521531545.db2.gz MLCUCPSMFHZQKD-UHFFFAOYSA-N 0 0 446.591 5.031 50 0 IKAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1c(F)cccc1F ZINC000035844813 521531744 /nfs/dbraw/zinc/53/17/44/521531744.db2.gz LJYDKVCAGIQAGV-UHFFFAOYSA-N 0 0 440.534 5.350 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n2CCCOC(C)C ZINC000023334112 521533234 /nfs/dbraw/zinc/53/32/34/521533234.db2.gz NFVJTIDBVWQPTN-UHFFFAOYSA-N 0 0 447.000 5.974 50 0 IKAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCC1 ZINC000035842683 521539910 /nfs/dbraw/zinc/53/99/10/521539910.db2.gz GALXABVFEIHLGP-AREMUKBSSA-N 0 0 449.639 5.146 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C)cc1 ZINC000021892811 521539883 /nfs/dbraw/zinc/53/98/83/521539883.db2.gz QDUOIHPABUPONB-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CN(C)CC3 ZINC000035426955 521540329 /nfs/dbraw/zinc/54/03/29/521540329.db2.gz AGGKBGNOIJGEMS-INIZCTEOSA-N 0 0 436.581 5.034 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891300 521540540 /nfs/dbraw/zinc/54/05/40/521540540.db2.gz PBBDEIHGNGINEB-DEOSSOPVSA-N 0 0 429.545 6.075 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1C ZINC000021894191 521540708 /nfs/dbraw/zinc/54/07/08/521540708.db2.gz HZHOHTMHBHNBJX-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1C ZINC000021894195 521540746 /nfs/dbraw/zinc/54/07/46/521540746.db2.gz HZHOHTMHBHNBJX-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CN(C)CC3 ZINC000035426957 521541074 /nfs/dbraw/zinc/54/10/74/521541074.db2.gz AGGKBGNOIJGEMS-MRXNPFEDSA-N 0 0 436.581 5.034 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733479 521545143 /nfs/dbraw/zinc/54/51/43/521545143.db2.gz MOWFLDKEGLLSNS-OAQYLSRUSA-N 0 0 443.503 5.598 50 0 IKAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc2onc(C(C)C)c2c1 ZINC000021308290 521552623 /nfs/dbraw/zinc/55/26/23/521552623.db2.gz FFBDRYLQGKUIQE-UHFFFAOYSA-N 0 0 449.338 5.144 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033265560 521554953 /nfs/dbraw/zinc/55/49/53/521554953.db2.gz JYORTPSUFZYSFU-MRXNPFEDSA-N 0 0 449.576 5.703 50 0 IKAARN CCCc1nn(-c2ccc(Cl)c(Cl)c2)c(C(C)C)c1C(=O)NCc1ccccn1 ZINC000035961423 521557152 /nfs/dbraw/zinc/55/71/52/521557152.db2.gz CRSCCFLDEFCXEC-UHFFFAOYSA-N 0 0 431.367 5.580 50 0 IKAARN CCC(CC)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000012546515 521576900 /nfs/dbraw/zinc/57/69/00/521576900.db2.gz GJIIEEJGTTWWIH-UHFFFAOYSA-N 0 0 435.515 5.500 50 0 IKAARN CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C)c(Cl)c1 ZINC000021788114 521580849 /nfs/dbraw/zinc/58/08/49/521580849.db2.gz KEUXOTBHZRYJCA-NRFANRHFSA-N 0 0 427.957 5.316 50 0 IKAARN CCOC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)C(F)F)n1 ZINC000001415810 521587542 /nfs/dbraw/zinc/58/75/42/521587542.db2.gz YEVJXDMHDLONGV-UHFFFAOYSA-N 0 0 449.429 5.683 50 0 IKAARN CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)C3CCC3)c2)n1 ZINC000037385424 521601349 /nfs/dbraw/zinc/60/13/49/521601349.db2.gz VPZZJBYOFPOSPK-UHFFFAOYSA-N 0 0 431.323 5.378 50 0 IKAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc2c1C ZINC000021150891 521608529 /nfs/dbraw/zinc/60/85/29/521608529.db2.gz PLCLIYOYOMWYHN-IBGZPJMESA-N 0 0 447.940 5.097 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)Cc1sccc1C ZINC000012585494 521609401 /nfs/dbraw/zinc/60/94/01/521609401.db2.gz CQEWHNRQXQXWFL-UHFFFAOYSA-N 0 0 428.579 5.032 50 0 IKAARN CCOC(=S)SCC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000012577778 521621193 /nfs/dbraw/zinc/62/11/93/521621193.db2.gz AQJHTDKLBVYMQL-UHFFFAOYSA-N 0 0 428.604 5.398 50 0 IKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1cccnc1Cl ZINC000012535251 521635864 /nfs/dbraw/zinc/63/58/64/521635864.db2.gz UZSOKLZHLHUWHQ-UHFFFAOYSA-N 0 0 428.867 5.244 50 0 IKAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000012564897 521640373 /nfs/dbraw/zinc/64/03/73/521640373.db2.gz YXZYOIMTBXYNLO-UHFFFAOYSA-N 0 0 441.575 6.575 50 0 IKAARN CCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(CC)cc2)cc1 ZINC000023433572 521641700 /nfs/dbraw/zinc/64/17/00/521641700.db2.gz SAPSAUIWFZFFHC-UHFFFAOYSA-N 0 0 447.579 5.541 50 0 IKAARN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023327028 521641780 /nfs/dbraw/zinc/64/17/80/521641780.db2.gz CCJVFEVIMYGICQ-UHFFFAOYSA-N 0 0 430.596 5.996 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000035980424 521678188 /nfs/dbraw/zinc/67/81/88/521678188.db2.gz GUOBXFFEOQDRQR-UHFFFAOYSA-N 0 0 449.938 6.178 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)c1ccc(F)cc1 ZINC000035977854 521678237 /nfs/dbraw/zinc/67/82/37/521678237.db2.gz UUZQNRCEVYUBSG-UHFFFAOYSA-N 0 0 443.522 6.071 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)C(C)C ZINC000035980369 521678376 /nfs/dbraw/zinc/67/83/76/521678376.db2.gz SIRUKSGZNIMCMO-UHFFFAOYSA-N 0 0 425.960 5.927 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)c1ccco1 ZINC000035980367 521678758 /nfs/dbraw/zinc/67/87/58/521678758.db2.gz POYZEBFXNKIFOP-UHFFFAOYSA-N 0 0 449.938 6.178 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)C1CC1 ZINC000035976303 521679059 /nfs/dbraw/zinc/67/90/59/521679059.db2.gz CPFFHEYLFOLOAM-UHFFFAOYSA-N 0 0 425.479 5.400 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1ccccc1F ZINC000035970775 521679225 /nfs/dbraw/zinc/67/92/25/521679225.db2.gz UXHNLGKWFKOQEI-UHFFFAOYSA-N 0 0 443.522 6.165 50 0 IKAARN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C(C)=O ZINC000035970371 521679329 /nfs/dbraw/zinc/67/93/29/521679329.db2.gz FQEJWXHOLLQLHO-UHFFFAOYSA-N 0 0 427.932 5.394 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)NCC ZINC000035980321 521679332 /nfs/dbraw/zinc/67/93/32/521679332.db2.gz CJUXPTFEAJTYGP-UHFFFAOYSA-N 0 0 426.948 5.568 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)C(C)C ZINC000035980163 521679344 /nfs/dbraw/zinc/67/93/44/521679344.db2.gz OSXLGCDHDUFTAQ-UHFFFAOYSA-N 0 0 425.960 6.021 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)NC(C)C ZINC000035973129 521679549 /nfs/dbraw/zinc/67/95/49/521679549.db2.gz HTCFRRBQCDHTIB-UHFFFAOYSA-N 0 0 436.556 5.312 50 0 IKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1Cl ZINC000035972208 521679578 /nfs/dbraw/zinc/67/95/78/521679578.db2.gz YYHDBMWGJUZAJS-UHFFFAOYSA-N 0 0 439.003 5.768 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)NCC ZINC000035978357 521679594 /nfs/dbraw/zinc/67/95/94/521679594.db2.gz YNAKYPTVIQIUHZ-UHFFFAOYSA-N 0 0 428.483 5.193 50 0 IKAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)NC(C)C ZINC000035973071 521679964 /nfs/dbraw/zinc/67/99/64/521679964.db2.gz GEPBXCULTXDKHT-UHFFFAOYSA-N 0 0 438.547 5.696 50 0 IKAARN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C(C)C ZINC000035980062 521680106 /nfs/dbraw/zinc/68/01/06/521680106.db2.gz ILFUCCPRRSOVJW-UHFFFAOYSA-N 0 0 435.568 5.630 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CCCC1 ZINC000035976638 521680618 /nfs/dbraw/zinc/68/06/18/521680618.db2.gz LSEPXHXWVHZSBL-UHFFFAOYSA-N 0 0 447.579 5.910 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000035944366 521681853 /nfs/dbraw/zinc/68/18/53/521681853.db2.gz RWTNRQGTZKOXOJ-HSZRJFAPSA-N 0 0 447.579 5.530 50 0 IKAARN CCCN(Cc1ccccc1)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000012744543 521685176 /nfs/dbraw/zinc/68/51/76/521685176.db2.gz AHAZOZYDOJBFIW-BUHFOSPRSA-N 0 0 437.540 5.419 50 0 IKAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000012904572 521693627 /nfs/dbraw/zinc/69/36/27/521693627.db2.gz RNQRTYFSPAOKCX-UHFFFAOYSA-N 0 0 439.987 5.245 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578175 521695350 /nfs/dbraw/zinc/69/53/50/521695350.db2.gz DMAKMZWHAJJCFO-UHFFFAOYSA-N 0 0 438.572 5.421 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cn1c2ccccc2n(C(F)F)c1=S ZINC000012549014 521695909 /nfs/dbraw/zinc/69/59/09/521695909.db2.gz CXOGDMWDTRRPDQ-UHFFFAOYSA-N 0 0 435.525 5.549 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000016751098 521703262 /nfs/dbraw/zinc/70/32/62/521703262.db2.gz JTTDVALEICNNSF-QHCPKHFHSA-N 0 0 435.520 5.182 50 0 IKAARN CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000021917924 521711998 /nfs/dbraw/zinc/71/19/98/521711998.db2.gz UQPNGQQHGSVVRB-DEOSSOPVSA-N 0 0 449.620 5.459 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000021100969 521730388 /nfs/dbraw/zinc/73/03/88/521730388.db2.gz UKBHXHXIUDKYDZ-UHFFFAOYSA-N 0 0 428.580 5.766 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000021101030 521730396 /nfs/dbraw/zinc/73/03/96/521730396.db2.gz HZVYMZSFXJTFPH-UHFFFAOYSA-N 0 0 430.552 5.157 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(OC)c1)CC2 ZINC000021100928 521730403 /nfs/dbraw/zinc/73/04/03/521730403.db2.gz XSZPLMHBHDIQHE-UHFFFAOYSA-N 0 0 430.552 5.157 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(Cl)c1C)CC2 ZINC000021101067 521730456 /nfs/dbraw/zinc/73/04/56/521730456.db2.gz KEXJGUXTHNFIBE-UHFFFAOYSA-N 0 0 448.998 6.111 50 0 biogenic IKAARN CCN1c2cc(NC(=O)Nc3cc(Cl)ccc3C)ccc2Sc2ccccc2C1=O ZINC000015671872 521730459 /nfs/dbraw/zinc/73/04/59/521730459.db2.gz QRYBYFNTLOGWDL-UHFFFAOYSA-N 0 0 437.952 6.424 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cc(Cl)ccc1C)CC2 ZINC000021101019 521730499 /nfs/dbraw/zinc/73/04/99/521730499.db2.gz IWDLKWBRIIXAQQ-UHFFFAOYSA-N 0 0 448.998 6.111 50 0 biogenic IKAARN CCN1c2ccccc2-n2cccc2C12CCN(C(=O)Nc1cccc(Cl)c1C)CC2 ZINC000020860543 521730909 /nfs/dbraw/zinc/73/09/09/521730909.db2.gz OFEZNMKPYRAXNR-UHFFFAOYSA-N 0 0 434.971 5.802 50 0 biogenic IKAARN CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cc3ccccc3o2)s1 ZINC000012442970 521738822 /nfs/dbraw/zinc/73/88/22/521738822.db2.gz DKOYNJIMGFRFNC-UHFFFAOYSA-N 0 0 437.546 5.037 50 0 IKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)CC1CC1 ZINC000035973096 521739532 /nfs/dbraw/zinc/73/95/32/521739532.db2.gz JEOVUAHFYMOMQR-UHFFFAOYSA-N 0 0 436.531 5.308 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000035978310 521739548 /nfs/dbraw/zinc/73/95/48/521739548.db2.gz DSAODAHHXIKEKN-UHFFFAOYSA-N 0 0 438.959 5.568 50 0 IKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000035980821 521739562 /nfs/dbraw/zinc/73/95/62/521739562.db2.gz XWXCIFVMHBBCFK-UHFFFAOYSA-N 0 0 438.959 5.474 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)[C@@H](C)C(C)C)c1 ZINC000035944653 521743010 /nfs/dbraw/zinc/74/30/10/521743010.db2.gz WYZTTXQPCCWRGA-KRWDZBQOSA-N 0 0 445.007 5.234 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccccc2F)scc1-c1cccc(Br)c1 ZINC000000668932 521770469 /nfs/dbraw/zinc/77/04/69/521770469.db2.gz IVUSUMSLQZCGJE-UHFFFAOYSA-N 0 0 434.286 5.356 50 0 IKAARN COC(=O)c1c(NC(=S)N2CCC(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000017096134 521771709 /nfs/dbraw/zinc/77/17/09/521771709.db2.gz DRQKTXJMABDRTI-UHFFFAOYSA-N 0 0 428.623 5.065 50 0 IKAARN CCSc1ccccc1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000012794973 521773280 /nfs/dbraw/zinc/77/32/80/521773280.db2.gz ISSFDOZMUBDOSA-UHFFFAOYSA-N 0 0 444.600 5.518 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccc3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888757 521792686 /nfs/dbraw/zinc/79/26/86/521792686.db2.gz TUSXQZNQBJWGDT-QHCPKHFHSA-N 0 0 442.559 5.586 50 0 biogenic IKAARN CCc1cccc2c([C@@H](CC(=O)N3CCCCC3)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889016 521793529 /nfs/dbraw/zinc/79/35/29/521793529.db2.gz XAGCXAZJVBKRIK-NRFANRHFSA-N 0 0 428.498 6.284 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccc3)c3ccc(OC)cc3OC)c[nH]c21 ZINC000035910609 521793535 /nfs/dbraw/zinc/79/35/35/521793535.db2.gz DFOYQZQSNRYWHS-DEOSSOPVSA-N 0 0 442.559 5.586 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccc3)c3cccc4c3OCO4)c[nH]c21 ZINC000035908195 521793920 /nfs/dbraw/zinc/79/39/20/521793920.db2.gz LGZOBTOFORQROD-QHCPKHFHSA-N 0 0 440.543 5.340 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888887 521793999 /nfs/dbraw/zinc/79/39/99/521793999.db2.gz LBYNGJLTESZMMW-QHCPKHFHSA-N 0 0 440.543 5.340 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N3CCC(C)CC3)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889067 521794012 /nfs/dbraw/zinc/79/40/12/521794012.db2.gz BTRHCFPQODCJFU-QFIPXVFZSA-N 0 0 442.525 6.530 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908324 521794777 /nfs/dbraw/zinc/79/47/77/521794777.db2.gz KJMHEWFNGWUISR-HSZRJFAPSA-N 0 0 430.979 6.265 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908325 521794944 /nfs/dbraw/zinc/79/49/44/521794944.db2.gz YTVROIPBIZOXQL-MBSDFSHPSA-N 0 0 430.979 6.783 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)C(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908396 521794997 /nfs/dbraw/zinc/79/49/97/521794997.db2.gz MYXQDLLKHFEZQT-OXQOHEQNSA-N 0 0 430.514 6.432 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccc(F)cc3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910562 521795522 /nfs/dbraw/zinc/79/55/22/521795522.db2.gz WSMJVKDCEITWKQ-JOCHJYFZSA-N 0 0 436.477 5.986 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)N(C(=O)CC)c1ccc(Cl)cc1-2 ZINC000032998064 521799913 /nfs/dbraw/zinc/79/99/13/521799913.db2.gz JOOVUSWJZHUGLV-FQEVSTJZSA-N 0 0 444.919 5.277 50 0 IKAARN CC[C@@H](C(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000035839506 521806955 /nfs/dbraw/zinc/80/69/55/521806955.db2.gz NUZFIDXEYIFZBC-FGZHOGPDSA-N 0 0 448.513 5.680 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cccn1Cc1cccc(Cl)c1)C1CCCCC1)c1ccccc1 ZINC000035728895 521809682 /nfs/dbraw/zinc/80/96/82/521809682.db2.gz SWWMVTMWKQTAKZ-HHHXNRCGSA-N 0 0 449.038 7.045 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O ZINC000012381643 521836044 /nfs/dbraw/zinc/83/60/44/521836044.db2.gz WXZFSXGFQGHDRP-UHFFFAOYSA-N 0 0 427.353 5.132 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)[C@@H](CC)c2ccccc2)c1 ZINC000035925112 521851995 /nfs/dbraw/zinc/85/19/95/521851995.db2.gz XCCJEWSKBNHDNU-WNCULLNHSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000035925069 521852356 /nfs/dbraw/zinc/85/23/56/521852356.db2.gz DPCDMIZSDFNJSS-DEOSSOPVSA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000035925108 521852725 /nfs/dbraw/zinc/85/27/25/521852725.db2.gz PELXQMIHVGLKRH-AVRWGWEMSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000035925080 521852786 /nfs/dbraw/zinc/85/27/86/521852786.db2.gz ZAZRJAVDDJIUGM-IQGLISFBSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)[C@H](CC)c2ccccc2)c1 ZINC000035925113 521852978 /nfs/dbraw/zinc/85/29/78/521852978.db2.gz XCCJEWSKBNHDNU-KCWPFWIISA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000035925102 521853080 /nfs/dbraw/zinc/85/30/80/521853080.db2.gz PHKAODIBWGCGNI-XMMPIXPASA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)[C@@H](CC)c2ccccc2)c1 ZINC000035925111 521853283 /nfs/dbraw/zinc/85/32/83/521853283.db2.gz XCCJEWSKBNHDNU-HOFKKMOUSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1 ZINC000035925087 521853749 /nfs/dbraw/zinc/85/37/49/521853749.db2.gz VOLBCAYRCYCKIH-KCWPFWIISA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000012781694 521863307 /nfs/dbraw/zinc/86/33/07/521863307.db2.gz AYMDZPOBPPZNLO-UHFFFAOYSA-N 0 0 431.319 5.527 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C)cc1)c1ccccc1 ZINC000023457427 521864051 /nfs/dbraw/zinc/86/40/51/521864051.db2.gz HFUVBOBNEHWGMP-HSZRJFAPSA-N 0 0 429.951 6.633 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(C)nn1-c1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1 ZINC000012442355 521864102 /nfs/dbraw/zinc/86/41/02/521864102.db2.gz YRJHIHACYFQHIK-GOSISDBHSA-N 0 0 446.532 5.165 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000035910918 521871706 /nfs/dbraw/zinc/87/17/06/521871706.db2.gz DAXGLTBJDXKANP-BVAGGSTKSA-N 0 0 446.572 5.606 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@@H](CC)O2)c1ccccc1 ZINC000035873072 521871792 /nfs/dbraw/zinc/87/17/92/521871792.db2.gz GSBBUGGALZSCLT-JWQCQUIFSA-N 0 0 442.559 5.519 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1)c1ccccc1 ZINC000035910872 521872537 /nfs/dbraw/zinc/87/25/37/521872537.db2.gz FSSGUWMWUKXIFW-ZEQKJWHPSA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(C)c2)c1)c1ccccc1 ZINC000035910346 521872867 /nfs/dbraw/zinc/87/28/67/521872867.db2.gz CKBODVNLFRWDGE-ZEQKJWHPSA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1 ZINC000035927310 521872884 /nfs/dbraw/zinc/87/28/84/521872884.db2.gz AQVXXUGRNZSBCC-RDGATRHJSA-N 0 0 434.536 5.737 50 0 IKAARN CCc1ccccc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038202 521890911 /nfs/dbraw/zinc/89/09/11/521890911.db2.gz AHQATDPWURHOPK-UHFFFAOYSA-N 0 0 426.520 5.283 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C(C)C)CCCC3 ZINC000021539860 521891715 /nfs/dbraw/zinc/89/17/15/521891715.db2.gz BQTVUQFMTUOARN-DEOSSOPVSA-N 0 0 433.621 6.725 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1 ZINC000021892114 521891866 /nfs/dbraw/zinc/89/18/66/521891866.db2.gz AAWQNNNAGBZGJZ-MHZLTWQESA-N 0 0 437.543 6.185 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048562 521892307 /nfs/dbraw/zinc/89/23/07/521892307.db2.gz WORLQFOPEGLYHU-XMMPIXPASA-N 0 0 434.580 6.508 50 0 IKAARN CCc1ccccc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000033062386 521894600 /nfs/dbraw/zinc/89/46/00/521894600.db2.gz HCYJUCNUBDRAEX-OAQYLSRUSA-N 0 0 443.547 5.701 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)ccc1OCc1ccccc1 ZINC000034712287 521900473 /nfs/dbraw/zinc/90/04/73/521900473.db2.gz BNAJEXGZZPNNPY-UHFFFAOYSA-N 0 0 430.529 5.958 50 0 IKAARN COc1cc(-c2nc(CN3CCC[C@H](C(=O)CCc4ccccc4)C3)c(C)o2)ccc1F ZINC000020999682 521902265 /nfs/dbraw/zinc/90/22/65/521902265.db2.gz PVHSBFJZJUPUFH-NRFANRHFSA-N 0 0 436.527 5.212 50 0 IKAARN COc1cc(-c2nc(CN3CCCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)ccc1F ZINC000012299769 521904450 /nfs/dbraw/zinc/90/44/50/521904450.db2.gz IGKADUZDZCXLNM-NRFANRHFSA-N 0 0 438.478 5.540 50 0 IKAARN COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O ZINC000035606374 521906175 /nfs/dbraw/zinc/90/61/75/521906175.db2.gz FYCJCBONGVLZSM-UHFFFAOYSA-N 0 0 437.927 6.245 50 0 IKAARN CCc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000024618815 521907912 /nfs/dbraw/zinc/90/79/12/521907912.db2.gz AXTCGJPOVWISBJ-UHFFFAOYSA-N 0 0 427.348 5.725 50 0 IKAARN CCc1ccccc1NC(=O)c1nc(-c2ccc(OC)cc2)n(-c2cccc(Cl)c2)n1 ZINC000014610018 521908000 /nfs/dbraw/zinc/90/80/00/521908000.db2.gz IYJDUIDVOKKFEM-UHFFFAOYSA-N 0 0 432.911 5.411 50 0 IKAARN CCc1ccccc1NC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000014609924 521908998 /nfs/dbraw/zinc/90/89/98/521908998.db2.gz OLFKFJUVQQVFNJ-UHFFFAOYSA-N 0 0 432.911 5.411 50 0 IKAARN COC(=O)c1ccc(-c2nc3ccccn3c2Nc2ccc(C)c(Br)c2)cc1 ZINC000035616346 521929723 /nfs/dbraw/zinc/92/97/23/521929723.db2.gz DVDLQZVYMDLEKL-UHFFFAOYSA-N 0 0 436.309 5.602 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)nc1C ZINC000012576331 521930118 /nfs/dbraw/zinc/93/01/18/521930118.db2.gz FCHAMQYISDHWJM-AAVIWEJRSA-N 0 0 442.588 5.612 50 0 IKAARN COc1cc(/C=C/C(=O)OCc2ccc(F)cc2Cl)ccc1OCc1c(C)noc1C ZINC000021241719 521936734 /nfs/dbraw/zinc/93/67/34/521936734.db2.gz MVAOWKZBAZBQLX-WEVVVXLNSA-N 0 0 445.874 5.428 50 0 IKAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)c1 ZINC000012817924 521989042 /nfs/dbraw/zinc/98/90/42/521989042.db2.gz JPZTVXMOJIXSCH-UHFFFAOYSA-N 0 0 446.507 5.236 50 0 IKAARN CC[C@@H](C)N(C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[C@@H](C)CC ZINC000012774197 522033933 /nfs/dbraw/zinc/03/39/33/522033933.db2.gz YDOBCWRJMIMCFE-OKILXGFUSA-N 0 0 449.667 5.241 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 ZINC000012529526 522039009 /nfs/dbraw/zinc/03/90/09/522039009.db2.gz XORFGGIMFXHNKC-AWEZNQCLSA-N 0 0 430.379 6.621 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2OC)s1 ZINC000012590920 522043610 /nfs/dbraw/zinc/04/36/10/522043610.db2.gz AIYFCLDSSHGCMF-LSDHHAIUSA-N 0 0 442.610 5.923 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCCC4)CC2)n1)CCCC3 ZINC000035849274 522055630 /nfs/dbraw/zinc/05/56/30/522055630.db2.gz RQKHSYNQDXVIBB-KRWDZBQOSA-N 0 0 440.657 5.313 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035865418 522055637 /nfs/dbraw/zinc/05/56/37/522055637.db2.gz WSGZGTYQKPYAGM-HOTGVXAUSA-N 0 0 428.646 5.024 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4cccs4)CC2)n1)CCCC3 ZINC000035849286 522055693 /nfs/dbraw/zinc/05/56/93/522055693.db2.gz SWWGICYFDBVZFO-HNNXBMFYSA-N 0 0 440.638 5.108 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CCCCC3 ZINC000035892311 522055712 /nfs/dbraw/zinc/05/57/12/522055712.db2.gz RKLWOHRHCVDJQU-SFHVURJKSA-N 0 0 448.636 5.436 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@H](C)C3 ZINC000035865582 522057114 /nfs/dbraw/zinc/05/71/14/522057114.db2.gz OEOKVXIRIBKGSA-IRXDYDNUSA-N 0 0 440.657 5.168 50 0 IKAARN CC[C@@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000035808185 522066733 /nfs/dbraw/zinc/06/67/33/522066733.db2.gz QUDPJQICXPAYPZ-GOSISDBHSA-N 0 0 446.632 5.788 50 0 IKAARN CC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O ZINC000012780569 522071192 /nfs/dbraw/zinc/07/11/92/522071192.db2.gz UTWFAHVHRMVGSR-ZDUSSCGKSA-N 0 0 435.471 5.117 50 0 IKAARN COCCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000012777491 522075492 /nfs/dbraw/zinc/07/54/92/522075492.db2.gz KCMFKEBTVWFUDC-ZDUSSCGKSA-N 0 0 436.364 5.262 50 0 IKAARN COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(Cl)c1OC(C)C ZINC000012925540 522079509 /nfs/dbraw/zinc/07/95/09/522079509.db2.gz SDWVMGKOPSSNQK-IBGZPJMESA-N 0 0 445.943 5.274 50 0 IKAARN COc1cc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000239339108 522092471 /nfs/dbraw/zinc/09/24/71/522092471.db2.gz LRWSGTAEMDTYPP-UWUFEASWSA-N 0 0 443.971 5.467 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C(C)=O ZINC000035970283 522097042 /nfs/dbraw/zinc/09/70/42/522097042.db2.gz FSGYXWHCTLIVAM-MRXNPFEDSA-N 0 0 441.959 5.782 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C(C)C ZINC000035976546 522097220 /nfs/dbraw/zinc/09/72/20/522097220.db2.gz SLGODRSEJHTCCE-LJQANCHMSA-N 0 0 435.568 5.765 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1N(C)C)C(=O)c1ccccc1F ZINC000035969978 522097622 /nfs/dbraw/zinc/09/76/22/522097622.db2.gz NMDRMQXJMOYXIB-MRXNPFEDSA-N 0 0 442.966 5.480 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035945259 522097954 /nfs/dbraw/zinc/09/79/54/522097954.db2.gz QDDGUMBCRRYFLT-GOSISDBHSA-N 0 0 441.591 5.707 50 0 IKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C1CC1 ZINC000035976844 522098331 /nfs/dbraw/zinc/09/83/31/522098331.db2.gz QFPHSGYKWKJMMV-GOSISDBHSA-N 0 0 433.552 5.519 50 0 IKAARN COC(=O)c1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1 ZINC000021891409 522108525 /nfs/dbraw/zinc/10/85/25/522108525.db2.gz LSWQQGXTJLTOOH-QHCPKHFHSA-N 0 0 443.528 5.463 50 0 IKAARN CN(C)c1c(CN(Cc2ccccc2)C(=O)c2ccc(F)cc2)c(-c2ccccc2)nn1C ZINC000035970071 522110167 /nfs/dbraw/zinc/11/01/67/522110167.db2.gz ATEUNFWJPDXMCP-UHFFFAOYSA-N 0 0 442.538 5.135 50 0 IKAARN COc1cc(C(=O)NC[C@H](SCc2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000016195219 522121026 /nfs/dbraw/zinc/12/10/26/522121026.db2.gz BOKUJBNYGKNEGN-QHCPKHFHSA-N 0 0 437.561 5.117 50 0 IKAARN CCc1nc(Sc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)n[nH]1 ZINC000012929893 522135166 /nfs/dbraw/zinc/13/51/66/522135166.db2.gz SMSXLYBLDMFXEH-UHFFFAOYSA-N 0 0 425.608 5.304 50 0 IKAARN CCc1nc(-c2ccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)cc2)cs1 ZINC000065032334 522143306 /nfs/dbraw/zinc/14/33/06/522143306.db2.gz GKAPHQXNTMRGKM-UHFFFAOYSA-N 0 0 442.500 5.935 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)co3)cc2)cc(OC)c1OC ZINC000021362900 522152584 /nfs/dbraw/zinc/15/25/84/522152584.db2.gz QMEMFMAGCWQIKR-UHFFFAOYSA-N 0 0 444.487 5.595 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc(Cl)c1OC(C)C ZINC000014657764 522164884 /nfs/dbraw/zinc/16/48/84/522164884.db2.gz ONTJSQQWEDPUHM-UHFFFAOYSA-N 0 0 444.940 5.714 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195638 522166368 /nfs/dbraw/zinc/16/63/68/522166368.db2.gz CYLBXWUYJIMPGO-UPVQGACJSA-N 0 0 448.906 5.378 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012194946 522166716 /nfs/dbraw/zinc/16/67/16/522166716.db2.gz UCNVAOVGCZIFHQ-URXFXBBRSA-N 0 0 448.906 5.378 50 0 IKAARN COC(=O)c1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)N2c2ccccc2)cc1 ZINC000012788461 522176906 /nfs/dbraw/zinc/17/69/06/522176906.db2.gz VDOAPLOVJBJGEV-QHCPKHFHSA-N 0 0 438.487 5.109 50 0 IKAARN COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3cc(C)c(OC(F)F)c(C)c3)nc2c1 ZINC000021334271 522177965 /nfs/dbraw/zinc/17/79/65/522177965.db2.gz YPWARSMCKYVSLD-NVNXTCNLSA-N 0 0 434.826 5.077 50 0 IKAARN COc1cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000011859584 522181713 /nfs/dbraw/zinc/18/17/13/522181713.db2.gz JTECVVLOLIFJGU-UHFFFAOYSA-N 0 0 440.543 6.472 50 0 IKAARN COc1cc(C)c(CSCc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1OC ZINC000012576184 522194457 /nfs/dbraw/zinc/19/44/57/522194457.db2.gz ZQBPRUNYVSKMTF-UHFFFAOYSA-N 0 0 438.574 5.411 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732254 522214512 /nfs/dbraw/zinc/21/45/12/522214512.db2.gz ISJFROQONCIZMI-ZFOBRQHDSA-N 0 0 440.543 5.490 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035928506 522219352 /nfs/dbraw/zinc/21/93/52/522219352.db2.gz BLRKFMUDGRQZSL-SANMLTNESA-N 0 0 445.588 5.103 50 0 IKAARN CC[C@@H](C)NC(=O)c1csc(CN(Cc2ccc(C)cc2)Cc2ccc(F)cc2)n1 ZINC000035807987 522224833 /nfs/dbraw/zinc/22/48/33/522224833.db2.gz FJDCQICRDODOFT-GOSISDBHSA-N 0 0 425.573 5.321 50 0 IKAARN CN(C)c1ccc(NC(=O)c2cccs2)cc1CN(CC1CC1)C(=O)c1cccs1 ZINC000035946096 522236635 /nfs/dbraw/zinc/23/66/35/522236635.db2.gz XBWTWVLZGQUCBU-UHFFFAOYSA-N 0 0 439.606 5.180 50 0 IKAARN COC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 ZINC000012916456 522237080 /nfs/dbraw/zinc/23/70/80/522237080.db2.gz RCNMFLZCNGIQEC-UHFFFAOYSA-N 0 0 430.460 5.063 50 0 IKAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(Cc1ccco1)C(=O)CC(C)(C)C ZINC000035945455 522236964 /nfs/dbraw/zinc/23/69/64/522236964.db2.gz YFGSVXKJOZGKNP-UHFFFAOYSA-N 0 0 437.540 5.156 50 0 IKAARN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc32)cc1 ZINC000024483415 522248027 /nfs/dbraw/zinc/24/80/27/522248027.db2.gz HWXFOWKAPSJQIW-PGRDOPGGSA-N 0 0 430.379 5.066 50 0 IKAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C ZINC000012586167 522283858 /nfs/dbraw/zinc/28/38/58/522283858.db2.gz CDVHQJRRSUCZGP-QGZVFWFLSA-N 0 0 431.960 5.204 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000015784145 522284900 /nfs/dbraw/zinc/28/49/00/522284900.db2.gz SGBLYLHRTIIEBV-UHFFFAOYSA-N 0 0 432.867 5.066 50 0 IKAARN COc1cc(CCC2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc(OC)c1 ZINC000021396133 522326509 /nfs/dbraw/zinc/32/65/09/522326509.db2.gz USHZTYSPFKWAME-INIZCTEOSA-N 0 0 427.570 5.221 50 0 IKAARN COc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)on1 ZINC000020724704 522328004 /nfs/dbraw/zinc/32/80/04/522328004.db2.gz CDOGCPWZBGXXEC-UHFFFAOYSA-N 0 0 432.476 5.151 50 0 IKAARN CC[C@H](NC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000012455076 522377348 /nfs/dbraw/zinc/37/73/48/522377348.db2.gz CKKNHAVOCSPQIU-HOFKKMOUSA-N 0 0 446.616 5.654 50 0 IKAARN CCc1nc(S[C@H](C)c2nnc(-c3cccs3)o2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012564093 522410812 /nfs/dbraw/zinc/41/08/12/522410812.db2.gz INOQWENHHHVPFX-LLVKDONJSA-N 0 0 443.985 5.906 50 0 IKAARN CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000012700780 522421390 /nfs/dbraw/zinc/42/13/90/522421390.db2.gz CMIRQBQWGOZGRF-UHFFFAOYSA-N 0 0 426.482 5.385 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 ZINC000012529524 522425839 /nfs/dbraw/zinc/42/58/39/522425839.db2.gz XORFGGIMFXHNKC-CQSZACIVSA-N 0 0 430.379 6.621 50 0 IKAARN CC[C@@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2SCc2noc(C)n2)cc1 ZINC000012918753 522427676 /nfs/dbraw/zinc/42/76/76/522427676.db2.gz CABVXXCINKCXLY-CYBMUJFWSA-N 0 0 440.956 5.536 50 0 IKAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccn(CC)n2)c2ccc(C(C)C)cc2)cc1 ZINC000020608151 522429098 /nfs/dbraw/zinc/42/90/98/522429098.db2.gz VJDURHNUWLXVJB-HXUWFJFHSA-N 0 0 439.625 5.935 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@H](C)C3 ZINC000035865580 522440853 /nfs/dbraw/zinc/44/08/53/522440853.db2.gz OEOKVXIRIBKGSA-DLBZAZTESA-N 0 0 440.657 5.168 50 0 IKAARN COC(=O)c1sccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000020860276 522446725 /nfs/dbraw/zinc/44/67/25/522446725.db2.gz SYCOIIDGXCQZJB-OAQYLSRUSA-N 0 0 449.507 5.335 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12 ZINC000017100884 522446903 /nfs/dbraw/zinc/44/69/03/522446903.db2.gz RVIKBSYMVMMSCM-UHFFFAOYSA-N 0 0 436.920 5.964 50 0 IKAARN CC[C@@H](C)n1c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604028 522452534 /nfs/dbraw/zinc/45/25/34/522452534.db2.gz FEXQXCFYLBWCPE-SECBINFHSA-N 0 0 445.413 5.712 50 0 IKAARN CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2cccc3ccccc32)nc2ccccc2c1=O ZINC000012784513 522453074 /nfs/dbraw/zinc/45/30/74/522453074.db2.gz HCMVVEAEWLVWPC-MSOLQXFVSA-N 0 0 445.588 5.490 50 0 IKAARN CC[C@@H](CCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000012637699 522496679 /nfs/dbraw/zinc/49/66/79/522496679.db2.gz ZVTYDIUMWWARGO-ZDUSSCGKSA-N 0 0 448.177 5.629 50 0 IKAARN CCc1nc2ccccc2c(N(CCC(=O)N[C@H](C)c2ccccc2)Cc2ccco2)n1 ZINC000036008160 522496783 /nfs/dbraw/zinc/49/67/83/522496783.db2.gz DVCUVLFGPLWWMH-LJQANCHMSA-N 0 0 428.536 5.059 50 0 IKAARN CC[C@@H](CCNC(=S)Nc1ccccc1Cl)NC(=S)Nc1ccccc1Cl ZINC000012418824 522497502 /nfs/dbraw/zinc/49/75/02/522497502.db2.gz WWSFTXOJUIWTBX-ZDUSSCGKSA-N 0 0 441.453 5.435 50 0 IKAARN CCc1nc2ccccc2c(N(CCC(=O)N[C@@H](C)c2ccccc2)Cc2ccco2)n1 ZINC000036008159 522497899 /nfs/dbraw/zinc/49/78/99/522497899.db2.gz DVCUVLFGPLWWMH-IBGZPJMESA-N 0 0 428.536 5.059 50 0 IKAARN COc1cc(CO)ccc1Oc1nc(CSc2ccccc2)nc2sc(C)c(C)c21 ZINC000012691591 522498794 /nfs/dbraw/zinc/49/87/94/522498794.db2.gz JZCXXMYUFYXCAW-UHFFFAOYSA-N 0 0 438.574 5.894 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)C[C@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O ZINC000020561881 522512475 /nfs/dbraw/zinc/51/24/75/522512475.db2.gz NVVUZDXAMSTMCC-HSZRJFAPSA-N 0 0 448.950 5.691 50 0 IKAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000012775148 522521108 /nfs/dbraw/zinc/52/11/08/522521108.db2.gz OARJXLYACORZRK-UHFFFAOYSA-N 0 0 448.906 5.376 50 0 IKAARN COc1cc(N2CCn3c(nc4cccc(Cl)c43)C2)ccc1NC(=O)c1cccs1 ZINC000012418977 522634798 /nfs/dbraw/zinc/63/47/98/522634798.db2.gz XFPNIPWSCAAWOI-UHFFFAOYSA-N 0 0 438.940 5.032 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2F)c1CN(C(C)=O)C(C)C ZINC000035972363 522636692 /nfs/dbraw/zinc/63/66/92/522636692.db2.gz AQUWHZUXFGGJPF-UHFFFAOYSA-N 0 0 443.494 5.271 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)C1CCC1)C(C)C ZINC000035972542 522637540 /nfs/dbraw/zinc/63/75/40/522637540.db2.gz JDFYKMOCXHJPKE-UHFFFAOYSA-N 0 0 435.543 5.903 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CCOC)C(=O)C(C)C ZINC000035975743 522638818 /nfs/dbraw/zinc/63/88/18/522638818.db2.gz WTPWUGYASGQVTE-UHFFFAOYSA-N 0 0 435.568 5.166 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035980090 522640462 /nfs/dbraw/zinc/64/04/62/522640462.db2.gz CMOXIAOTMPQEMU-UHFFFAOYSA-N 0 0 433.527 5.657 50 0 IKAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(Cc1ccco1)C(=O)c1ccccc1F ZINC000035973374 522640671 /nfs/dbraw/zinc/64/06/71/522640671.db2.gz GRVMQJWLAAITTR-UHFFFAOYSA-N 0 0 446.526 5.075 50 0 IKAARN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000036760969 522668806 /nfs/dbraw/zinc/66/88/06/522668806.db2.gz QIHHTRPIBBLGDZ-DHUDBDOYSA-N 0 0 443.031 5.303 50 0 IKAARN CC[C@@H](NC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000012455074 522677934 /nfs/dbraw/zinc/67/79/34/522677934.db2.gz CKKNHAVOCSPQIU-KCWPFWIISA-N 0 0 446.616 5.654 50 0 IKAARN COc1cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc(OC)c1 ZINC000021891430 522690142 /nfs/dbraw/zinc/69/01/42/522690142.db2.gz BVEHXUZCOCOISH-XMMPIXPASA-N 0 0 445.544 5.693 50 0 IKAARN COc1cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc(OC)c1 ZINC000021890997 522690987 /nfs/dbraw/zinc/69/09/87/522690987.db2.gz KPESTZWBTJYPIU-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN COc1cc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc(OC)c1OC ZINC000022479700 522704187 /nfs/dbraw/zinc/70/41/87/522704187.db2.gz ZEHULPPDDBHYJX-UHFFFAOYSA-N 0 0 425.466 5.226 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc(OC)c1 ZINC000033261304 522722023 /nfs/dbraw/zinc/72/20/23/522722023.db2.gz CEZAPHLPVDCXCK-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3ncccc3-n3c(C)ccc3C)cc2)cc(OC)c1 ZINC000021708630 522723621 /nfs/dbraw/zinc/72/36/21/522723621.db2.gz QJFKQLBUQQOXEO-UHFFFAOYSA-N 0 0 427.504 5.426 50 0 IKAARN COc1cc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc(OC)c1 ZINC000035527234 522723747 /nfs/dbraw/zinc/72/37/47/522723747.db2.gz YIORSVNTPYUEHF-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc(-c3ccccc3)no2)cc1OC ZINC000020724795 522728122 /nfs/dbraw/zinc/72/81/22/522728122.db2.gz ORXCKYBSSCBGJZ-UHFFFAOYSA-N 0 0 435.867 5.327 50 0 IKAARN COCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000035980217 522734129 /nfs/dbraw/zinc/73/41/29/522734129.db2.gz KUODXZLJMFVAQO-UHFFFAOYSA-N 0 0 439.943 5.011 50 0 IKAARN CN(CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)c1ccccc1 ZINC000020729623 522768980 /nfs/dbraw/zinc/76/89/80/522768980.db2.gz CMULXMISFSWUDJ-HKOYGPOVSA-N 0 0 443.572 5.028 50 0 IKAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2ccc(C(C)C)cc2)c2cc3sccc3n21 ZINC000020510750 522785736 /nfs/dbraw/zinc/78/57/36/522785736.db2.gz URBUVYZATDNNRG-IBGZPJMESA-N 0 0 438.622 6.139 50 0 IKAARN CCc1nnc2c(Oc3ccc(NC(=O)c4sccc4C)cc3)nc3ccccc3n12 ZINC000035461048 522795653 /nfs/dbraw/zinc/79/56/53/522795653.db2.gz MTKCHCOOVNQETR-UHFFFAOYSA-N 0 0 429.505 5.254 50 0 IKAARN COc1cc(OC)c(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@H](C)C4)cc1Cl ZINC000020557651 522799728 /nfs/dbraw/zinc/79/97/28/522799728.db2.gz UFJYBKJTAFYIRV-NSHDSACASA-N 0 0 435.998 5.770 50 0 IKAARN CC[C@@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)c1ccncc1 ZINC000011818906 522801343 /nfs/dbraw/zinc/80/13/43/522801343.db2.gz IROFBZQZUGRZOA-MRXNPFEDSA-N 0 0 430.455 5.358 50 0 IKAARN COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1Cl ZINC000012758975 522801807 /nfs/dbraw/zinc/80/18/07/522801807.db2.gz IYOCRXKIZOGQGB-HSZRJFAPSA-N 0 0 442.968 5.005 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1Cl ZINC000035429869 522813123 /nfs/dbraw/zinc/81/31/23/522813123.db2.gz WJKBDQIRXAWQTF-UHFFFAOYSA-N 0 0 434.883 5.296 50 0 IKAARN COc1cc(OC)c(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1Cl ZINC000020852651 522815597 /nfs/dbraw/zinc/81/55/97/522815597.db2.gz LXGYIQBTONRTEM-OAQYLSRUSA-N 0 0 439.874 5.748 50 0 IKAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157820 522834454 /nfs/dbraw/zinc/83/44/54/522834454.db2.gz FQGMWVDNOLWCKF-OAHLLOKOSA-N 0 0 429.925 5.568 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(Cl)cc3)n2C2CCCCC2)c1 ZINC000035847519 522838231 /nfs/dbraw/zinc/83/82/31/522838231.db2.gz UQFVNJBCVMGODL-UHFFFAOYSA-N 0 0 444.000 6.413 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C)c3)n2-c2ccccc2C)c1 ZINC000035847694 522839011 /nfs/dbraw/zinc/83/90/11/522839011.db2.gz ZAGPPCUWNXWCLL-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(F)c3)n2C2CCCCC2)c1 ZINC000035847538 522839040 /nfs/dbraw/zinc/83/90/40/522839040.db2.gz NBNONFKDLPIHJG-UHFFFAOYSA-N 0 0 427.545 5.899 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3)n2C2CCCCC2)c1 ZINC000035847525 522839108 /nfs/dbraw/zinc/83/91/08/522839108.db2.gz DWFQEFKRFNFHPB-UHFFFAOYSA-N 0 0 427.545 5.899 50 0 IKAARN COc1cc(OC)cc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)c1 ZINC000021730636 522841696 /nfs/dbraw/zinc/84/16/96/522841696.db2.gz PQQDAZUBWAOKEP-UHFFFAOYSA-N 0 0 443.528 6.248 50 0 IKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccc(C)cc1)n1c2ccccc2nc1-3 ZINC000012447700 522918920 /nfs/dbraw/zinc/91/89/20/522918920.db2.gz UDEGFPKUWWESKA-QHCPKHFHSA-N 0 0 426.545 6.049 50 0 IKAARN COCc1cc(C)nc2sc(-c3cc(-c4ccc5c(c4)OCO5)no3)c(-n3cccc3)c21 ZINC000012445380 522919324 /nfs/dbraw/zinc/91/93/24/522919324.db2.gz MEECFFSFENYDGW-UHFFFAOYSA-N 0 0 445.500 5.593 50 0 IKAARN COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)Oc3ccccc3)c21 ZINC000012445349 522920258 /nfs/dbraw/zinc/92/02/58/522920258.db2.gz VEBRKIWHQGWILE-UHFFFAOYSA-N 0 0 432.501 5.593 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc(OC)c1OC ZINC000015106870 522926086 /nfs/dbraw/zinc/92/60/86/522926086.db2.gz SIOXAIQOBKXQQW-ZBFHGGJFSA-N 0 0 429.582 5.399 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OCc1ccccc1 ZINC000012578587 522928367 /nfs/dbraw/zinc/92/83/67/522928367.db2.gz UUJMCAXBVHAQBA-HHHXNRCGSA-N 0 0 433.511 6.263 50 0 IKAARN CC[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@H](CC)C1=O ZINC000035909551 522945821 /nfs/dbraw/zinc/94/58/21/522945821.db2.gz UWGFVAFRTBIDIJ-DNQXCXABSA-N 0 0 446.522 5.729 50 0 IKAARN CC[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(F)cc3)ccc2O[C@@H](CC)C1=O ZINC000035909552 522946933 /nfs/dbraw/zinc/94/69/33/522946933.db2.gz UWGFVAFRTBIDIJ-RPWUZVMVSA-N 0 0 446.522 5.729 50 0 IKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(OC)c2OC)o1 ZINC000012303460 522977285 /nfs/dbraw/zinc/97/72/85/522977285.db2.gz GCNPKHRHTMMXFU-RUZDIDTESA-N 0 0 432.520 5.072 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)Oc1cc(C)c3ccccc3n1)oc1ccccc12 ZINC000012639763 523017671 /nfs/dbraw/zinc/01/76/71/523017671.db2.gz IBXJLSSEIMQSOD-INIZCTEOSA-N 0 0 426.472 5.857 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cccc(F)c3)cc1)=NCC2 ZINC000035332713 523022763 /nfs/dbraw/zinc/02/27/63/523022763.db2.gz CVOYXNOHKXFVQL-UHFFFAOYSA-N 0 0 433.483 5.075 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1cccc(F)c1)CC2 ZINC000023439798 523042758 /nfs/dbraw/zinc/04/27/58/523042758.db2.gz QQBRBMCWSVBNOD-HSZRJFAPSA-N 0 0 425.887 5.284 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)C(=O)C2 ZINC000020446058 523048524 /nfs/dbraw/zinc/04/85/24/523048524.db2.gz KFYKRBQMJPSCNZ-QHCPKHFHSA-N 0 0 445.412 5.540 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)[C@H](CC)Oc2ccccc2)c1 ZINC000016246914 523057760 /nfs/dbraw/zinc/05/77/60/523057760.db2.gz BGUCMNOSCWWCIW-PSWAGMNNSA-N 0 0 432.520 5.279 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(C)cc4)ccc3oc2=O)cc1OC ZINC000011866201 523076469 /nfs/dbraw/zinc/07/64/69/523076469.db2.gz HAQANAOYAVRMNF-UHFFFAOYSA-N 0 0 430.456 5.313 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4OC)ccc3oc2=O)cc1OC ZINC000011866199 523077142 /nfs/dbraw/zinc/07/71/42/523077142.db2.gz BMNZQERKXHWLON-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 IKAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(CCc3cccs3)CO4)c2=O)cc1 ZINC000020625031 523079565 /nfs/dbraw/zinc/07/95/65/523079565.db2.gz XUNPAJZYBOZGQM-UHFFFAOYSA-N 0 0 433.529 5.233 50 0 biogenic IKAARN CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S ZINC000012935589 523081856 /nfs/dbraw/zinc/08/18/56/523081856.db2.gz YKTFSLWVGMQQGO-UHFFFAOYSA-N 0 0 441.000 5.307 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccccc3F)n2)c(OC)c1 ZINC000019647181 523083166 /nfs/dbraw/zinc/08/31/66/523083166.db2.gz XDUNVXKNLVNZCV-UHFFFAOYSA-N 0 0 448.494 5.439 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)c3ccccc3OC)n2)cc1 ZINC000015838204 523083945 /nfs/dbraw/zinc/08/39/45/523083945.db2.gz NXIUMOGBTIEOIB-UHFFFAOYSA-N 0 0 445.906 5.734 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000021147796 523085698 /nfs/dbraw/zinc/08/56/98/523085698.db2.gz HWCBIVHSVFJMDZ-UHFFFAOYSA-N 0 0 438.462 5.463 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(CCc2cccc(F)c2)CO4)cc1 ZINC000020610294 523088738 /nfs/dbraw/zinc/08/87/38/523088738.db2.gz CERGKJHDOFXFLZ-UHFFFAOYSA-N 0 0 445.490 5.311 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(C)cc3)c2)cc1OC ZINC000020445543 523090448 /nfs/dbraw/zinc/09/04/48/523090448.db2.gz ARVFIFAIHBSPDV-UHFFFAOYSA-N 0 0 444.483 5.622 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000012565505 523092298 /nfs/dbraw/zinc/09/22/98/523092298.db2.gz BWUMAPMOSHDSAD-UHFFFAOYSA-N 0 0 436.555 6.005 50 0 IKAARN CC[C@@H](c1ccccc1)N1Cc2cc(NC(=O)c3cccs3)ccc2O[C@H](CC)C1=O ZINC000035909557 523098988 /nfs/dbraw/zinc/09/89/88/523098988.db2.gz RKLQQXWIZKANLC-LEWJYISDSA-N 0 0 434.561 5.651 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c3ccccc3n2)cc1 ZINC000012682179 523100711 /nfs/dbraw/zinc/10/07/11/523100711.db2.gz INWYNKOVWGWKOJ-UHFFFAOYSA-N 0 0 437.499 5.055 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCCC4=CCCCC4)c3)ncn2)cc1 ZINC000035527267 523115919 /nfs/dbraw/zinc/11/59/19/523115919.db2.gz CSJYYGXSLQLNTO-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 ZINC000016994025 523117145 /nfs/dbraw/zinc/11/71/45/523117145.db2.gz BVMGHVVEXONPFA-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN COc1ccc(-c2cc3c4c(C)n(Cc5ccc6c(c5)OCO6)c(C)c4c(C)nn3c2)cc1 ZINC000020867892 523117793 /nfs/dbraw/zinc/11/77/93/523117793.db2.gz IATUNWJVMJSMCH-UHFFFAOYSA-N 0 0 439.515 5.667 50 0 IKAARN COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N3)cc1 ZINC000020746090 523122797 /nfs/dbraw/zinc/12/27/97/523122797.db2.gz BXUXZEIHVYXQJY-QGZVFWFLSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000012886691 523129316 /nfs/dbraw/zinc/12/93/16/523129316.db2.gz RKEBKSCLAYPWTN-UHFFFAOYSA-N 0 0 439.515 5.005 50 0 IKAARN COc1ccc(-c2ccc(CNC(=O)Nc3ccc(F)cc3F)c3cnccc23)cc1C ZINC000035844644 523131184 /nfs/dbraw/zinc/13/11/84/523131184.db2.gz OCGLTXFJEKUWET-UHFFFAOYSA-N 0 0 433.458 5.819 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(F)(F)F)cc4)csc3n2)cc1 ZINC000020555541 523146238 /nfs/dbraw/zinc/14/62/38/523146238.db2.gz CENNQYXOEKEOIX-UHFFFAOYSA-N 0 0 431.439 5.271 50 0 IKAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020731289 523152879 /nfs/dbraw/zinc/15/28/79/523152879.db2.gz MARWXPPGIMYVHY-INIZCTEOSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2coc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 ZINC000011865226 523157410 /nfs/dbraw/zinc/15/74/10/523157410.db2.gz QEEFXXIAFYHLGA-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 IKAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3Cl)n2)cc1 ZINC000012442139 523159937 /nfs/dbraw/zinc/15/99/37/523159937.db2.gz MFRPSHSUXQUZSK-UHFFFAOYSA-N 0 0 442.903 5.358 50 0 IKAARN COc1ccc(-c2csc(/C=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)n2)cc1 ZINC000012555512 523162348 /nfs/dbraw/zinc/16/23/48/523162348.db2.gz HPFBWYRNAZXQBC-VAWYXSNFSA-N 0 0 425.916 6.276 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1OC ZINC000012686148 523169014 /nfs/dbraw/zinc/16/90/14/523169014.db2.gz CDJLHHBCFKBSGT-UHFFFAOYSA-N 0 0 446.532 5.143 50 0 IKAARN COc1ccc(-c2csc3c2ncn(Cc2cccc(C(F)(F)F)c2)c3=O)cc1OC ZINC000023126662 523170462 /nfs/dbraw/zinc/17/04/62/523170462.db2.gz DDDNDANXTQXBQV-UHFFFAOYSA-N 0 0 446.450 5.209 50 0 IKAARN COc1ccc(-c2nc(S[C@@H](CC(=O)NCc3ccccc3)c3ccccc3)n[nH]2)cc1 ZINC000012176665 523175356 /nfs/dbraw/zinc/17/53/56/523175356.db2.gz QMMAPFDYUWYCOI-QFIPXVFZSA-N 0 0 444.560 5.020 50 0 IKAARN COc1ccc(-c2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)n[nH]2)cc1 ZINC000001051108 523175693 /nfs/dbraw/zinc/17/56/93/523175693.db2.gz FGFQXEIUEXKMLZ-UHFFFAOYSA-N 0 0 446.557 5.402 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)Nc3ccc4c(c3)OCCO4)c2)nc2ccccc21 ZINC000013347715 523181627 /nfs/dbraw/zinc/18/16/27/523181627.db2.gz NPJZTBSYNMJBRQ-UHFFFAOYSA-N 0 0 442.519 5.257 50 0 IKAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc2ccccc21 ZINC000021664270 523183374 /nfs/dbraw/zinc/18/33/74/523183374.db2.gz ZHIFKDKXELWDCG-UHFFFAOYSA-N 0 0 447.604 5.766 50 0 IKAARN CN(Cc1cc2ccccc2n(C)c1=O)C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012408641 523184851 /nfs/dbraw/zinc/18/48/51/523184851.db2.gz DOWBYPFALFWPTQ-UHFFFAOYSA-N 0 0 439.890 5.040 50 0 IKAARN CN(Cc1cc2ccccc2s1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 ZINC000012748704 523188741 /nfs/dbraw/zinc/18/87/41/523188741.db2.gz FXXADLJHUIWQJG-UHFFFAOYSA-N 0 0 444.560 5.142 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609914 523190007 /nfs/dbraw/zinc/19/00/07/523190007.db2.gz VYCWTYCPRQOTMO-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609910 523191769 /nfs/dbraw/zinc/19/17/69/523191769.db2.gz MMMGVVFWPNMYAH-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1OC ZINC000012322686 523193522 /nfs/dbraw/zinc/19/35/22/523193522.db2.gz XNQBBOLAFMHPCH-UHFFFAOYSA-N 0 0 436.577 5.231 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000012679775 523194313 /nfs/dbraw/zinc/19/43/13/523194313.db2.gz NOTPIBBUHNAHKM-UHFFFAOYSA-N 0 0 444.969 5.197 50 0 IKAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015865316 523198666 /nfs/dbraw/zinc/19/86/66/523198666.db2.gz TVGHIUBNEAJAJF-UHFFFAOYSA-N 0 0 448.592 5.443 50 0 IKAARN CCn1c(COc2ccc(C)c(C)c2)nnc1SCc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015865331 523198839 /nfs/dbraw/zinc/19/88/39/523198839.db2.gz HZPQUFBNDAYZNC-UHFFFAOYSA-N 0 0 448.592 5.244 50 0 IKAARN COc1ccc(-c2nc(CN(C)Cc3ccc(Br)cc3)cs2)cc1OC ZINC000012568888 523199035 /nfs/dbraw/zinc/19/90/35/523199035.db2.gz SMIAJLBGBQWWAT-UHFFFAOYSA-N 0 0 433.371 5.222 50 0 IKAARN COc1ccc(-c2nc(CN3CCC(Oc4cccc(Cl)c4)CC3)c(C)o2)cc1OC ZINC000011998735 523199642 /nfs/dbraw/zinc/19/96/42/523199642.db2.gz RGSOBSJKYNQJFP-UHFFFAOYSA-N 0 0 442.943 5.364 50 0 IKAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000015832710 523206858 /nfs/dbraw/zinc/20/68/58/523206858.db2.gz IGDRGLKCAXWWRE-OAHLLOKOSA-N 0 0 430.957 5.173 50 0 IKAARN COc1ccc(-c2nc(CSCC(=O)c3cc(C)n(C4CC4)c3C)cs2)c(OC)c1 ZINC000012917411 523213095 /nfs/dbraw/zinc/21/30/95/523213095.db2.gz DQWUENJBXSIUIB-UHFFFAOYSA-N 0 0 442.606 5.697 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000012627560 523216341 /nfs/dbraw/zinc/21/63/41/523216341.db2.gz DAPDOTPTZHPPNQ-UHFFFAOYSA-N 0 0 447.457 5.422 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1OC ZINC000002979332 523228970 /nfs/dbraw/zinc/22/89/70/523228970.db2.gz OBYMBWXDVRXPCS-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cccc(Br)c2)cc1 ZINC000034912786 523229185 /nfs/dbraw/zinc/22/91/85/523229185.db2.gz MRRVKZPPKHFVNY-UHFFFAOYSA-N 0 0 436.309 5.333 50 0 IKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000034912795 523229669 /nfs/dbraw/zinc/22/96/69/523229669.db2.gz XBLNLVLVTGIKOS-UHFFFAOYSA-N 0 0 426.303 5.877 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000017095226 523229722 /nfs/dbraw/zinc/22/97/22/523229722.db2.gz JKSIXAZGKFNCSJ-ZWKOTPCHSA-N 0 0 426.973 5.262 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000017095224 523229837 /nfs/dbraw/zinc/22/98/37/523229837.db2.gz JKSIXAZGKFNCSJ-QZTJIDSGSA-N 0 0 426.973 5.262 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C)cc1Cl ZINC000012651142 523230163 /nfs/dbraw/zinc/23/01/63/523230163.db2.gz MJPZSDHUOXZFMU-UHFFFAOYSA-N 0 0 434.923 6.841 50 0 IKAARN CCn1c(SCCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 ZINC000012777481 523234569 /nfs/dbraw/zinc/23/45/69/523234569.db2.gz LRGQMLWIGUQSPR-UHFFFAOYSA-N 0 0 434.521 5.471 50 0 IKAARN COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N3CCCC[C@H]3C)n2)cc1 ZINC000035988087 523237034 /nfs/dbraw/zinc/23/70/34/523237034.db2.gz GGSGCSCFOPWRAK-MOPGFXCFSA-N 0 0 430.552 5.022 50 0 IKAARN CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nc2ccccc21 ZINC000012530153 523240720 /nfs/dbraw/zinc/24/07/20/523240720.db2.gz LTKVCUKTFUREIT-UHFFFAOYSA-N 0 0 426.542 5.629 50 0 IKAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996482 523243798 /nfs/dbraw/zinc/24/37/98/523243798.db2.gz PRRXPZZIAVYZEY-UHFFFAOYSA-N 0 0 444.441 5.177 50 0 IKAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021541057 523244853 /nfs/dbraw/zinc/24/48/53/523244853.db2.gz VCWKNEWFHDFSEC-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN COc1ccc(-c2nn(C)c3sc(C(=O)N[C@@H](C)CCc4ccccc4)cc23)cc1OC ZINC000020233750 523244907 /nfs/dbraw/zinc/24/49/07/523244907.db2.gz BBGAITMIJHUIOG-INIZCTEOSA-N 0 0 449.576 5.070 50 0 IKAARN COCc1nn2c(ncc3c2C[C@@H](c2ccc(OC)cc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000012409807 523246563 /nfs/dbraw/zinc/24/65/63/523246563.db2.gz CLPWOJAMQSNCPI-QGZVFWFLSA-N 0 0 447.922 5.117 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000012852470 523257972 /nfs/dbraw/zinc/25/79/72/523257972.db2.gz NIZCQXARFAYHNI-UHFFFAOYSA-N 0 0 445.544 5.085 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000012784400 523258178 /nfs/dbraw/zinc/25/81/78/523258178.db2.gz XJLKUMNLQWOWAE-RXVVDRJESA-N 0 0 444.645 5.442 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(F)cc1 ZINC000036031511 523266348 /nfs/dbraw/zinc/26/63/48/523266348.db2.gz LTUPZOYVXYHWEC-UHFFFAOYSA-N 0 0 448.947 5.194 50 0 IKAARN COc1ccc(-c2nnc3sc(C(c4ccccc4)c4ccccc4)nn32)cc1OC ZINC000017172989 523270369 /nfs/dbraw/zinc/27/03/69/523270369.db2.gz UYOHKTSDVYMPKJ-UHFFFAOYSA-N 0 0 428.517 5.050 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 ZINC000022459896 523275977 /nfs/dbraw/zinc/27/59/77/523275977.db2.gz PYKFACAYCAXQKP-UHFFFAOYSA-N 0 0 429.476 5.452 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Br)o3)n2)cc1 ZINC000022461476 523276268 /nfs/dbraw/zinc/27/62/68/523276268.db2.gz AQTZOYORDTUZKE-UHFFFAOYSA-N 0 0 440.253 5.020 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc4c(c3)noc4-c3ccccc3)ccc21 ZINC000020853674 523276658 /nfs/dbraw/zinc/27/66/58/523276658.db2.gz SFNXZUBQNPIGGE-UHFFFAOYSA-N 0 0 431.495 6.875 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(C)c(C)c3)n2)cc1 ZINC000022460564 523277090 /nfs/dbraw/zinc/27/70/90/523277090.db2.gz RJJVRHJXKXNIKQ-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)Cc3nc(-c4ccc(OC)cc4)no3)ccc21 ZINC000020515991 523277842 /nfs/dbraw/zinc/27/78/42/523277842.db2.gz OMRURLRXKGYKDU-UHFFFAOYSA-N 0 0 426.476 5.054 50 0 IKAARN COc1ccc(-c2noc(COc3c(C)cc(Br)cc3Cl)n2)c(OC)c1 ZINC000012913248 523293616 /nfs/dbraw/zinc/29/36/16/523293616.db2.gz MSRJICZXNTXQJW-UHFFFAOYSA-N 0 0 439.693 5.057 50 0 IKAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016742101 523293917 /nfs/dbraw/zinc/29/39/17/523293917.db2.gz YAWQNBCIINKXBO-XMMPIXPASA-N 0 0 441.483 5.167 50 0 IKAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000035319228 523304370 /nfs/dbraw/zinc/30/43/70/523304370.db2.gz ITTZVXPDTGFJML-QGZVFWFLSA-N 0 0 432.402 5.133 50 0 IKAARN COc1ccc(-n2c(-c3ccc(C)cc3)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1 ZINC000035686390 523305694 /nfs/dbraw/zinc/30/56/94/523305694.db2.gz GLZYKBOFHOMFLF-UHFFFAOYSA-N 0 0 427.529 5.596 50 0 IKAARN COc1ccc(-c2nsc(NC(=O)c3oc4cc(Br)ccc4c3C)n2)cc1 ZINC000012111373 523306283 /nfs/dbraw/zinc/30/62/83/523306283.db2.gz TWNDHVKDYWXLCL-UHFFFAOYSA-N 0 0 444.310 5.283 50 0 IKAARN COc1ccc(-n2c(/C=C\c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 ZINC000033401018 523309863 /nfs/dbraw/zinc/30/98/63/523309863.db2.gz HJXGEAKZFLVVKF-NVNXTCNLSA-N 0 0 433.305 5.327 50 0 IKAARN COc1ccc(-n2c(C)c(C)c3c4nc(-c5ccccc5Br)nn4cnc32)cc1 ZINC000021801345 523310953 /nfs/dbraw/zinc/31/09/53/523310953.db2.gz VQQRRFDGLPJOCZ-UHFFFAOYSA-N 0 0 448.324 5.123 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2S[C@H]2CCCCCC2=O)cc1Cl ZINC000028186713 523311342 /nfs/dbraw/zinc/31/13/42/523311342.db2.gz JLTGMBBENJOOKO-FQEVSTJZSA-N 0 0 428.941 5.042 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCc2csc(-c3ccccc3)n2)cc1 ZINC000012532342 523324774 /nfs/dbraw/zinc/32/47/74/523324774.db2.gz FZCSYONBJFSVPW-UHFFFAOYSA-N 0 0 429.570 6.450 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2S[C@@H](C)C(=O)Nc2ccccc2OC)cc1 ZINC000009662735 523325030 /nfs/dbraw/zinc/32/50/30/523325030.db2.gz JIUYLZDZNULUOW-INIZCTEOSA-N 0 0 433.533 5.162 50 0 IKAARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(Cl)c2)cc1 ZINC000023461127 523341413 /nfs/dbraw/zinc/34/14/13/523341413.db2.gz SESBNKDUXSONCR-UHFFFAOYSA-N 0 0 438.314 6.107 50 0 IKAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000012493159 523347887 /nfs/dbraw/zinc/34/78/87/523347887.db2.gz PMPATEGGGQOVEU-UHFFFAOYSA-N 0 0 449.359 5.066 50 0 IKAARN COc1ccc(-n2ncc(-c3cc(C(=O)NCCC(C)C)c4cc(C)ccc4n3)c2C)cc1 ZINC000032998707 523349845 /nfs/dbraw/zinc/34/98/45/523349845.db2.gz FFCVKCYXOXMEKX-UHFFFAOYSA-N 0 0 442.563 5.489 50 0 IKAARN CN(Cc1ccccc1)c1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419489 523354819 /nfs/dbraw/zinc/35/48/19/523354819.db2.gz ZCPOLRJHZNVOFG-UHFFFAOYSA-N 0 0 428.897 5.057 50 0 IKAARN CC[C@@H]1CCc2c(c(-c3ccc(NC(C)=O)cc3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325616 523370928 /nfs/dbraw/zinc/37/09/28/523370928.db2.gz HSJQQHQPGUWCLB-QGZVFWFLSA-N 0 0 444.966 6.190 50 0 IKAARN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000012557283 523379145 /nfs/dbraw/zinc/37/91/45/523379145.db2.gz ZJOZDDOKZQCIKY-UHFFFAOYSA-N 0 0 426.504 5.271 50 0 IKAARN COc1ccc(/C=C(/C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1O ZINC000012551264 523380436 /nfs/dbraw/zinc/38/04/36/523380436.db2.gz JCOOESGRKXORAT-ATVHPVEESA-N 0 0 436.920 5.843 50 0 IKAARN COc1ccc(/C=C(\CC(=O)Nc2c(C)cc(C)cc2C)c2nc3ccccc3s2)cc1 ZINC000033386125 523382947 /nfs/dbraw/zinc/38/29/47/523382947.db2.gz NMEODEBWMYMFDD-RCCKNPSSSA-N 0 0 442.584 6.800 50 0 IKAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000012770072 523389089 /nfs/dbraw/zinc/38/90/89/523389089.db2.gz UNFVEUDBZJZFDC-UHFFFAOYSA-N 0 0 434.439 5.171 50 0 IKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3NC2=O)cc1 ZINC000020734174 523416788 /nfs/dbraw/zinc/41/67/88/523416788.db2.gz JUYIIBFFVRASBR-VJYONXPCSA-N 0 0 436.577 5.335 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2CN(Cc2ccccc2)C1=O ZINC000035886217 523418380 /nfs/dbraw/zinc/41/83/80/523418380.db2.gz UXJAPEGRNMWZOF-JOCHJYFZSA-N 0 0 449.938 5.684 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882655 523421076 /nfs/dbraw/zinc/42/10/76/523421076.db2.gz WGIJIKIFAMFIFC-JWQCQUIFSA-N 0 0 440.543 5.516 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885155 523422549 /nfs/dbraw/zinc/42/25/49/523422549.db2.gz PWCYREOJYIXOSL-LJQANCHMSA-N 0 0 440.952 5.354 50 0 IKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1F ZINC000021890051 523438205 /nfs/dbraw/zinc/43/82/05/523438205.db2.gz XNWRNGMBJXASSE-SFHVURJKSA-N 0 0 428.305 5.878 50 0 IKAARN CN(Cc1cccs1)C(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000022133118 523441058 /nfs/dbraw/zinc/44/10/58/523441058.db2.gz BKWBCHOGUAJPCL-UHFFFAOYSA-N 0 0 439.920 5.212 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@H](C)CCc2ccccc2)c2ccc(C)cc2)c2ccccc21 ZINC000035872141 523461625 /nfs/dbraw/zinc/46/16/25/523461625.db2.gz XXXKNIFDHTVEOB-KCWPFWIISA-N 0 0 438.615 6.629 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@H](C)c2ccccc2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035872103 523462483 /nfs/dbraw/zinc/46/24/83/523462483.db2.gz IDMHUGFHXOFBBQ-DVECYGJZSA-N 0 0 430.979 6.714 50 0 IKAARN CC[C@@H]1CN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c2ccccc2S1 ZINC000020984738 523462429 /nfs/dbraw/zinc/46/24/29/523462429.db2.gz VSPJPAFPSFQNPD-GOSISDBHSA-N 0 0 428.579 5.346 50 0 IKAARN CCn1cc([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2ccc(F)cc2)c2ccccc21 ZINC000035872191 523462702 /nfs/dbraw/zinc/46/27/02/523462702.db2.gz SKHBKJJEMZRBMI-QFIPXVFZSA-N 0 0 444.506 5.367 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2cccc(F)c2)c2ccccc21 ZINC000035872424 523477966 /nfs/dbraw/zinc/47/79/66/523477966.db2.gz BSKOHIPIOBBJNR-HFZDXXHNSA-N 0 0 442.578 6.460 50 0 IKAARN CCn1cc([C@H](CC(=O)NCCc2ccccc2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872352 523478466 /nfs/dbraw/zinc/47/84/66/523478466.db2.gz LWDOSOZPTWIWAE-XMMPIXPASA-N 0 0 430.979 6.196 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCC(=O)c1cccs1 ZINC000012791871 523487082 /nfs/dbraw/zinc/48/70/82/523487082.db2.gz AUHVPPYBRFLMRG-UHFFFAOYSA-N 0 0 429.545 5.222 50 0 IKAARN COc1ccc(Br)cc1-c1nc2c(c(=S)[nH]1)Cc1cccc(OC)c1O2 ZINC000020861651 523489583 /nfs/dbraw/zinc/48/95/83/523489583.db2.gz IVSHZEAFHMDAFB-UHFFFAOYSA-N 0 0 431.311 5.282 50 0 IKAARN CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000020608081 523493231 /nfs/dbraw/zinc/49/32/31/523493231.db2.gz OLRBUMJXKKCYEX-UHFFFAOYSA-N 0 0 425.598 5.545 50 0 IKAARN CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000020608155 523494060 /nfs/dbraw/zinc/49/40/60/523494060.db2.gz FMBSYMKNFBYDEW-UHFFFAOYSA-N 0 0 433.577 5.575 50 0 IKAARN COCCCn1c2nc(-c3ccc(C(C)C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605578 523501252 /nfs/dbraw/zinc/50/12/52/523501252.db2.gz XERJHIXDJYPKQS-UHFFFAOYSA-N 0 0 437.487 5.300 50 0 IKAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(CSc2ccc(Cl)cc2)c1 ZINC000012684971 523561710 /nfs/dbraw/zinc/56/17/10/523561710.db2.gz UMXDQBYKRUVCSM-UHFFFAOYSA-N 0 0 449.963 5.141 50 0 IKAARN COc1ccc(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1Br ZINC000008721639 523586583 /nfs/dbraw/zinc/58/65/83/523586583.db2.gz XPQKZEFJARRHSY-UHFFFAOYSA-N 0 0 439.305 5.093 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000035912972 523591257 /nfs/dbraw/zinc/59/12/57/523591257.db2.gz WHLKYDSGMBIURJ-UHFFFAOYSA-N 0 0 441.578 5.072 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885196 523606925 /nfs/dbraw/zinc/60/69/25/523606925.db2.gz QIRUIXPNCJWFJJ-QHCPKHFHSA-N 0 0 448.950 5.221 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885157 523606952 /nfs/dbraw/zinc/60/69/52/523606952.db2.gz PWCYREOJYIXOSL-IBGZPJMESA-N 0 0 440.952 5.354 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc(-c3cc(C)ccc3C)on2)Cc2ccccc2)cc1 ZINC000036005587 523614169 /nfs/dbraw/zinc/61/41/69/523614169.db2.gz MAPGMCULBKSXMQ-UHFFFAOYSA-N 0 0 426.516 5.810 50 0 IKAARN CN(Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012733778 523616372 /nfs/dbraw/zinc/61/63/72/523616372.db2.gz PQRPMCNSBHXZJY-QHCPKHFHSA-N 0 0 445.567 5.629 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccn2Cc2ccccc2Cl)Cc2ccccc2)cc1 ZINC000033725338 523616631 /nfs/dbraw/zinc/61/66/31/523616631.db2.gz HVBBVIXWPYIEOA-UHFFFAOYSA-N 0 0 444.962 6.041 50 0 IKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)cc1OC ZINC000015881791 523616917 /nfs/dbraw/zinc/61/69/17/523616917.db2.gz BXGBDZNRDATZLZ-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN CN(Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000012733780 523617953 /nfs/dbraw/zinc/61/79/53/523617953.db2.gz PQRPMCNSBHXZJY-HSZRJFAPSA-N 0 0 445.567 5.629 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3C)C2)c2ccccc12 ZINC000012741188 523630965 /nfs/dbraw/zinc/63/09/65/523630965.db2.gz DGITWFLBFMHYKN-QGZVFWFLSA-N 0 0 436.939 5.301 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3Cl)C2)c2ccccc12 ZINC000012922422 523633867 /nfs/dbraw/zinc/63/38/67/523633867.db2.gz SQHZHOBBPANHRA-QGZVFWFLSA-N 0 0 436.939 5.301 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3F)C2)c2ccccc12 ZINC000012773812 523640581 /nfs/dbraw/zinc/64/05/81/523640581.db2.gz MXWAAPBAMDIXQB-HNNXBMFYSA-N 0 0 440.902 5.132 50 0 IKAARN CCn1nc(C)c(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3cc(C)ccc32)c1C ZINC000012184360 523644903 /nfs/dbraw/zinc/64/49/03/523644903.db2.gz QYXQQCOWFQOTCH-XMMPIXPASA-N 0 0 435.593 5.801 50 0 IKAARN COC(=O)[C@@H](Oc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl)c1ccccc1 ZINC000011866685 523650624 /nfs/dbraw/zinc/65/06/24/523650624.db2.gz WTRZDAIVJOLJNV-DEOSSOPVSA-N 0 0 448.902 5.639 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1OC ZINC000021715497 523664753 /nfs/dbraw/zinc/66/47/53/523664753.db2.gz IFLVMJNUCPATOA-SANMLTNESA-N 0 0 426.516 5.281 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1 ZINC000012558999 523677873 /nfs/dbraw/zinc/67/78/73/523677873.db2.gz TWYYEZFPVJUTSA-LJAQVGFWSA-N 0 0 446.550 6.916 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000002982319 523681664 /nfs/dbraw/zinc/68/16/64/523681664.db2.gz FFJVUHYNFOSGDQ-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN CCc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cnc2cc(-c3ccccc3)nn21 ZINC000035707213 523698355 /nfs/dbraw/zinc/69/83/55/523698355.db2.gz OMYBOUHQZGQFAY-VWLOTQADSA-N 0 0 446.554 5.673 50 0 IKAARN CCc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639814 523701700 /nfs/dbraw/zinc/70/17/00/523701700.db2.gz GTPUVLXFBOAQJS-UHFFFAOYSA-N 0 0 437.503 5.507 50 0 IKAARN CCc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639825 523703427 /nfs/dbraw/zinc/70/34/27/523703427.db2.gz JPKQRCABDOVPQH-UHFFFAOYSA-N 0 0 443.894 5.544 50 0 IKAARN CCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639818 523703709 /nfs/dbraw/zinc/70/37/09/523703709.db2.gz RMNQOXZJMYNVBP-UHFFFAOYSA-N 0 0 427.439 5.029 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000033275999 523712085 /nfs/dbraw/zinc/71/20/85/523712085.db2.gz GMEBHANLXFQLCC-UHFFFAOYSA-N 0 0 440.479 5.069 50 0 IKAARN CCc1c(C)sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1C(=O)Nc1ccccc1OC ZINC000016400371 523717028 /nfs/dbraw/zinc/71/70/28/523717028.db2.gz FPWKQTPHLCDXEI-LJQANCHMSA-N 0 0 441.380 5.402 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]2c1ccccc1 ZINC000021045784 523717812 /nfs/dbraw/zinc/71/78/12/523717812.db2.gz GTXBSUDYMULIED-HSZRJFAPSA-N 0 0 442.987 5.998 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(C)cc1Cl)[C@H]2c1ccccc1 ZINC000021045801 523718059 /nfs/dbraw/zinc/71/80/59/523718059.db2.gz PTVZLDOVJKWKDR-DEOSSOPVSA-N 0 0 439.024 6.167 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C(=O)OC)cc1)[C@H]2c1ccccc1 ZINC000021048111 523718606 /nfs/dbraw/zinc/71/86/06/523718606.db2.gz YKSMAFAZBMFAMW-QFIPXVFZSA-N 0 0 434.561 5.585 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)NCc1ccccc1Cl)[C@@H]2c1ccccc1 ZINC000021045821 523718720 /nfs/dbraw/zinc/71/87/20/523718720.db2.gz UCTQAGPMVXJMGG-XMMPIXPASA-N 0 0 439.024 5.536 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1CC)[C@H]2c1ccc(OC)cc1 ZINC000021048283 523719207 /nfs/dbraw/zinc/71/92/07/523719207.db2.gz XJSUWNDLTNBOPG-DEOSSOPVSA-N 0 0 434.605 6.370 50 0 IKAARN CC(=O)CSc1nnc(CN2c3ccccc3Sc3ccccc32)n1-c1ccccc1 ZINC000000642375 534732640 /nfs/dbraw/zinc/73/26/40/534732640.db2.gz MVMMTSHIVCWXRT-UHFFFAOYSA-N 0 0 444.585 5.751 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)c1ccco1 ZINC000035980650 523735787 /nfs/dbraw/zinc/73/57/87/523735787.db2.gz LGYHFQONRYLENU-UHFFFAOYSA-N 0 0 445.519 5.070 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC000020492400 523737661 /nfs/dbraw/zinc/73/76/61/523737661.db2.gz PFFLUEGHDRJJRY-RBUKOAKNSA-N 0 0 430.451 5.316 50 0 IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1OC ZINC000016959665 523741960 /nfs/dbraw/zinc/74/19/60/523741960.db2.gz GZEQHRUSQQAPDC-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(CC(c1ccccc1)c1ccccc1)CO3 ZINC000020609924 523742275 /nfs/dbraw/zinc/74/22/75/523742275.db2.gz ZZAPLDURMRDTEO-UHFFFAOYSA-N 0 0 425.528 5.648 50 0 biogenic IKAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)cc2)cc1 ZINC000035928209 523752839 /nfs/dbraw/zinc/75/28/39/523752839.db2.gz HWMNTXBSNIZBKR-QHCPKHFHSA-N 0 0 440.471 5.004 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C(C)C)cc3)cc2)cc1 ZINC000035910379 523752896 /nfs/dbraw/zinc/75/28/96/523752896.db2.gz HGMOSUFEMIPCJO-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cc(C)ccc3F)cc2)cc1 ZINC000035927999 523754152 /nfs/dbraw/zinc/75/41/52/523754152.db2.gz VYRMXSJIJSGDFZ-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1 ZINC000035927467 523754168 /nfs/dbraw/zinc/75/41/68/523754168.db2.gz KIGHMLFJTHKEBC-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)cc1OC ZINC000001142234 523754807 /nfs/dbraw/zinc/75/48/07/523754807.db2.gz RTDTVLLDLGKGDG-UHFFFAOYSA-N 0 0 436.558 5.858 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000035946270 523755228 /nfs/dbraw/zinc/75/52/28/523755228.db2.gz DWRIARSQMJVORX-VWLOTQADSA-N 0 0 447.623 5.424 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)cc1 ZINC000035910421 523756495 /nfs/dbraw/zinc/75/64/95/523756495.db2.gz TWXVFWCGZKSUEC-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cc(C)ccc3F)c2)cc1 ZINC000035928031 523756775 /nfs/dbraw/zinc/75/67/75/523756775.db2.gz QNBQTPAVEAHMSY-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)c2)cc1 ZINC000035910804 523757925 /nfs/dbraw/zinc/75/79/25/523757925.db2.gz XXWVWNUPNOPPIK-RUZDIDTESA-N 0 0 432.545 5.343 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)c(C)c3)c2)cc1 ZINC000035910803 523757948 /nfs/dbraw/zinc/75/79/48/523757948.db2.gz XXWVWNUPNOPPIK-VWLOTQADSA-N 0 0 432.545 5.343 50 0 IKAARN CC[C@H](C(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1)c1ccccc1 ZINC000035866651 523764082 /nfs/dbraw/zinc/76/40/82/523764082.db2.gz XLVJVZGJQXQKLI-FQEVSTJZSA-N 0 0 434.609 5.028 50 0 IKAARN COc1ccc(C(=O)Oc2cc(-c3ccc(SC)cc3)cc(=O)c3c(C)oc(C)c32)cc1 ZINC000012890336 523772127 /nfs/dbraw/zinc/77/21/27/523772127.db2.gz YNARPLCRSZXEPW-UHFFFAOYSA-N 0 0 446.524 6.027 50 0 biogenic IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1c(C)nn2c1nccc2C(F)(F)F ZINC000012789961 523787228 /nfs/dbraw/zinc/78/72/28/523787228.db2.gz BPKYTWCDXKCUGE-VQHVLOKHSA-N 0 0 432.446 5.015 50 0 IKAARN CC[C@H](C(=O)Nc1c(C)cccc1C)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532412 523797689 /nfs/dbraw/zinc/79/76/89/523797689.db2.gz VAHWWYDMSCRLMJ-OAQYLSRUSA-N 0 0 448.567 6.069 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)cc1)c1ccccc1 ZINC000035912280 523800269 /nfs/dbraw/zinc/80/02/69/523800269.db2.gz XPRWARYBBWQWDB-OZXSUGGESA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@@H](CC)O2)c1ccccc1 ZINC000035873067 523802348 /nfs/dbraw/zinc/80/23/48/523802348.db2.gz GSBBUGGALZSCLT-LOSJGSFVSA-N 0 0 442.559 5.519 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN([C@@H](C)c1ccc(F)cc1)C(=O)CO2)c1ccccc1 ZINC000035909697 523802483 /nfs/dbraw/zinc/80/24/83/523802483.db2.gz VJUVKYARPMVAPK-UUOWRZLLSA-N 0 0 446.522 5.440 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1ccc(C(=O)Nc2cccc(Cl)c2C)n1 ZINC000020617443 523802676 /nfs/dbraw/zinc/80/26/76/523802676.db2.gz KWSHROXANVMIQW-HXUWFJFHSA-N 0 0 445.350 5.649 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(OC)c2)c1)c1ccccc1 ZINC000035927233 523804306 /nfs/dbraw/zinc/80/43/06/523804306.db2.gz DNTFTCUKDWCXAB-OZXSUGGESA-N 0 0 446.572 5.606 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(OC)c2)c1)c1ccccc1 ZINC000035927231 523804975 /nfs/dbraw/zinc/80/49/75/523804975.db2.gz DNTFTCUKDWCXAB-JYFHCDHNSA-N 0 0 446.572 5.606 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nnc(Nc2ccc(C)c(Cl)c2)s1 ZINC000012784080 523828576 /nfs/dbraw/zinc/82/85/76/523828576.db2.gz XVBQJRRZDBAIBJ-UHFFFAOYSA-N 0 0 434.974 5.291 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879883 523831980 /nfs/dbraw/zinc/83/19/80/523831980.db2.gz WPBLUXTVECPBKX-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891461 523832845 /nfs/dbraw/zinc/83/28/45/523832845.db2.gz RLZVJNMUFHXGRN-XMMPIXPASA-N 0 0 429.545 5.993 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1C ZINC000021536864 523833679 /nfs/dbraw/zinc/83/36/79/523833679.db2.gz NEWRVOUKLGMZHH-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000033050509 523839481 /nfs/dbraw/zinc/83/94/81/523839481.db2.gz IUJXBTNFHYPVOM-UHFFFAOYSA-N 0 0 439.943 5.632 50 0 IKAARN CN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)C(c1ccccc1)c1ccccc1 ZINC000012922906 523842283 /nfs/dbraw/zinc/84/22/83/523842283.db2.gz HKUBQIQKCHKDGN-UHFFFAOYSA-N 0 0 449.963 5.730 50 0 IKAARN CCc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476998 523843545 /nfs/dbraw/zinc/84/35/45/523843545.db2.gz NAKWSLWQHBFXBV-HSZRJFAPSA-N 0 0 442.588 6.171 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476926 523843871 /nfs/dbraw/zinc/84/38/71/523843871.db2.gz DFWTYXJPZLYOMH-JOCHJYFZSA-N 0 0 433.602 6.529 50 0 IKAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(C2CCCCC2)C3=O)s1 ZINC000021526054 523845274 /nfs/dbraw/zinc/84/52/74/523845274.db2.gz UIHUSEJUXYLJRJ-VWLOTQADSA-N 0 0 441.641 5.261 50 0 IKAARN CCc1cc2c(cc1OCC(=O)OC)oc(C)c(-c1ccc(-c3ccccc3)cc1)c2=O ZINC000002995476 523845378 /nfs/dbraw/zinc/84/53/78/523845378.db2.gz MOWRLSPFHPYPSZ-UHFFFAOYSA-N 0 0 428.484 5.550 50 0 IKAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCC(C)CC2)N(C2CCCC2)C3=O)s1 ZINC000021526087 523846668 /nfs/dbraw/zinc/84/66/68/523846668.db2.gz OPTPJDHALPTCCM-WFUJHSFVSA-N 0 0 441.641 5.117 50 0 IKAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccccc2)C3=O)s1 ZINC000021809968 523847611 /nfs/dbraw/zinc/84/76/11/523847611.db2.gz ICNGKUFKHHNRKO-SANMLTNESA-N 0 0 449.620 5.129 50 0 IKAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cc(C)c(Cl)cc3OC)C2)s1 ZINC000033078328 523849616 /nfs/dbraw/zinc/84/96/16/523849616.db2.gz UAMCMIMCPKZDEL-AWEZNQCLSA-N 0 0 444.988 5.079 50 0 IKAARN COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000021406777 523850735 /nfs/dbraw/zinc/85/07/35/523850735.db2.gz PPTOIIMFZCFKEO-CQSZACIVSA-N 0 0 433.335 5.775 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)n[nH]2)cc1 ZINC000021152202 523852465 /nfs/dbraw/zinc/85/24/65/523852465.db2.gz QITYCFOYERUHCB-UHFFFAOYSA-N 0 0 435.531 5.553 50 0 IKAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1C[C@H](C)CSc2ccccc21 ZINC000020984777 523853810 /nfs/dbraw/zinc/85/38/10/523853810.db2.gz SONNIWMPIQMYKG-HNNXBMFYSA-N 0 0 428.579 5.150 50 0 IKAARN CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)cc1 ZINC000020602921 523854551 /nfs/dbraw/zinc/85/45/51/523854551.db2.gz JUHVWVJHEMMJCB-UHFFFAOYSA-N 0 0 439.487 5.619 50 0 IKAARN CN(C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)C1CCCCC1 ZINC000006564864 523856379 /nfs/dbraw/zinc/85/63/79/523856379.db2.gz HVWXOJKDXUPMEU-UHFFFAOYSA-N 0 0 427.548 5.560 50 0 IKAARN CCc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CCCCCCO)cc1 ZINC000012413451 523857768 /nfs/dbraw/zinc/85/77/68/523857768.db2.gz PTZOPGTXSGQJMF-NFFVHWSESA-N 0 0 448.554 6.583 50 0 IKAARN CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000012857814 523859261 /nfs/dbraw/zinc/85/92/61/523859261.db2.gz WHJHQYUMYZFSKB-UHFFFAOYSA-N 0 0 448.375 5.390 50 0 IKAARN CCc1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 ZINC000012756415 523859763 /nfs/dbraw/zinc/85/97/63/523859763.db2.gz VABOTYHPYCOVQQ-UHFFFAOYSA-N 0 0 433.499 5.462 50 0 IKAARN CCc1ccc(-c2noc(CSc3n[nH]c(-c4ccccc4Br)n3)n2)cc1 ZINC000009516356 523864972 /nfs/dbraw/zinc/86/49/72/523864972.db2.gz GIWSHCUJEUXDNQ-UHFFFAOYSA-N 0 0 442.342 5.139 50 0 IKAARN COc1ccc(C2=NC[C@@H](CSc3ncnc4sc5c(c43)CCCC5)S2)cc1 ZINC000012531787 523875956 /nfs/dbraw/zinc/87/59/56/523875956.db2.gz MRQNTUHILCKISK-HNNXBMFYSA-N 0 0 427.620 5.233 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(OC)c(F)c4)cs3)[C@@H](c3ccco3)C2)cc1 ZINC000012420485 523878047 /nfs/dbraw/zinc/87/80/47/523878047.db2.gz URVOGWBFONYRKN-OAQYLSRUSA-N 0 0 449.507 5.915 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000020248290 523878389 /nfs/dbraw/zinc/87/83/89/523878389.db2.gz LXFWCRUGRNFFDJ-HSZRJFAPSA-N 0 0 437.337 5.822 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1OC ZINC000033721989 523878452 /nfs/dbraw/zinc/87/84/52/523878452.db2.gz KTJAFMQHTUOKDH-OFVILXPXSA-N 0 0 434.923 5.908 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000020738454 523878619 /nfs/dbraw/zinc/87/86/19/523878619.db2.gz BVXGXFUNTVZWCJ-WIOPSUGQSA-N 0 0 432.545 5.668 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000012124328 523879285 /nfs/dbraw/zinc/87/92/85/523879285.db2.gz QCMNZZNVOOTKIY-XNMGPUDCSA-N 0 0 444.531 5.733 50 0 IKAARN CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2ccc(Br)cn2)cc1 ZINC000016161519 523879370 /nfs/dbraw/zinc/87/93/70/523879370.db2.gz NUSKLQVZHPAZSM-UHFFFAOYSA-N 0 0 437.337 5.456 50 0 IKAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCC3)C2)cc1 ZINC000035944430 523879686 /nfs/dbraw/zinc/87/96/86/523879686.db2.gz VARLQJNMXSTOBY-OAQYLSRUSA-N 0 0 446.469 5.036 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000012195814 523880271 /nfs/dbraw/zinc/88/02/71/523880271.db2.gz NDOHUDLCAOTDRY-ISKFKSNPSA-N 0 0 436.964 6.313 50 0 IKAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCC3)C2)cc1 ZINC000035944429 523880718 /nfs/dbraw/zinc/88/07/18/523880718.db2.gz VARLQJNMXSTOBY-NRFANRHFSA-N 0 0 446.469 5.036 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccccc4)c3)C2)cc1 ZINC000033034801 523884177 /nfs/dbraw/zinc/88/41/77/523884177.db2.gz AQUUKHXPVRDRFP-AREMUKBSSA-N 0 0 426.560 5.199 50 0 IKAARN COc1ccc(CC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1 ZINC000034908113 523893461 /nfs/dbraw/zinc/89/34/61/523893461.db2.gz GKUSSCLXLOCOBZ-QHCPKHFHSA-N 0 0 448.469 5.688 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(OC)cc3)cc2)cc1 ZINC000035910942 523896079 /nfs/dbraw/zinc/89/60/79/523896079.db2.gz CLJYECOMUKYTLF-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)cc1 ZINC000035912267 523896300 /nfs/dbraw/zinc/89/63/00/523896300.db2.gz DGWBXFKJQMNTER-SANMLTNESA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)cc1 ZINC000035910479 523896604 /nfs/dbraw/zinc/89/66/04/523896604.db2.gz QKZVETAGNMXHBC-HHHXNRCGSA-N 0 0 444.600 6.403 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)cc3C)c2)cc1 ZINC000035912243 523896720 /nfs/dbraw/zinc/89/67/20/523896720.db2.gz FDUWHHWJAQVFMZ-SANMLTNESA-N 0 0 430.573 5.897 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000035768702 523900135 /nfs/dbraw/zinc/90/01/35/523900135.db2.gz IIYTYNLDJDSQPN-VWLOTQADSA-N 0 0 442.559 5.042 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(CN(Cc3cccs3)C[C@@H]3CCCO3)nc(=O)c12 ZINC000012908963 523905797 /nfs/dbraw/zinc/90/57/97/523905797.db2.gz FONVBWNPBIDONO-RDJZCZTQSA-N 0 0 445.654 5.124 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705257 523910557 /nfs/dbraw/zinc/91/05/57/523910557.db2.gz CKXXYCXKJXOBSP-UHFFFAOYSA-N 0 0 431.517 5.219 50 0 IKAARN CN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1ccccc1Cl ZINC000021915222 523915437 /nfs/dbraw/zinc/91/54/37/523915437.db2.gz YWSSCMGICQWCTB-UHFFFAOYSA-N 0 0 433.939 5.453 50 0 IKAARN CCc1ccc(CN(C)C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)cc1 ZINC000012442514 523918934 /nfs/dbraw/zinc/91/89/34/523918934.db2.gz LWOBYBFNDSVFPB-UHFFFAOYSA-N 0 0 437.971 5.347 50 0 IKAARN CC[C@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000035808184 523925654 /nfs/dbraw/zinc/92/56/54/523925654.db2.gz QMDXVIQFKKLAFZ-KRWDZBQOSA-N 0 0 442.556 5.258 50 0 IKAARN COc1ccc(CCN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)cc1OC ZINC000013006931 523938820 /nfs/dbraw/zinc/93/88/20/523938820.db2.gz YXBYJXGKMMJOCO-UHFFFAOYSA-N 0 0 440.543 5.542 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1N(C)C)C(=O)c1ccccc1F ZINC000035969981 523940366 /nfs/dbraw/zinc/94/03/66/523940366.db2.gz NMDRMQXJMOYXIB-INIZCTEOSA-N 0 0 442.966 5.480 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035943884 523941774 /nfs/dbraw/zinc/94/17/74/523941774.db2.gz CYORIRDXVMVAOM-SFHVURJKSA-N 0 0 444.019 5.832 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000035945182 523941870 /nfs/dbraw/zinc/94/18/70/523941870.db2.gz JCPXOVCZSUYRRL-SFHVURJKSA-N 0 0 441.591 5.707 50 0 IKAARN CN(C(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1)C1CCCCC1 ZINC000023425483 523960332 /nfs/dbraw/zinc/96/03/32/523960332.db2.gz MIDTYORIGXLEBI-UHFFFAOYSA-N 0 0 427.470 5.963 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035912451 523961736 /nfs/dbraw/zinc/96/17/36/523961736.db2.gz YQQMBVPKDKGFMO-DEOSSOPVSA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000035912417 523962184 /nfs/dbraw/zinc/96/21/84/523962184.db2.gz UWIPWIXEXIMNCB-SANMLTNESA-N 0 0 430.573 5.599 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021811515 523963826 /nfs/dbraw/zinc/96/38/26/523963826.db2.gz GDTOKSUCJFPUAV-WJKWBTLPSA-N 0 0 447.579 5.157 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021808214 523964037 /nfs/dbraw/zinc/96/40/37/523964037.db2.gz WHZOAYRILYQFQZ-VWLOTQADSA-N 0 0 435.593 5.133 50 0 IKAARN CCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000021882601 523972215 /nfs/dbraw/zinc/97/22/15/523972215.db2.gz OTIBGXWJTZLLNS-MRXNPFEDSA-N 0 0 437.609 5.269 50 0 IKAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 ZINC000021005932 523975272 /nfs/dbraw/zinc/97/52/72/523975272.db2.gz UQLWOPHKXPFBCE-XMMPIXPASA-N 0 0 438.531 5.024 50 0 IKAARN CCc1ccc(NC(=O)Cn2c(COc3cccc4ccccc43)nc3ccccc32)cc1 ZINC000012650334 523976264 /nfs/dbraw/zinc/97/62/64/523976264.db2.gz ZHTRKUIXIDRVCZ-UHFFFAOYSA-N 0 0 435.527 5.970 50 0 IKAARN COc1ccc(CCn2c(C)c3c4cc(-c5ccccc5)cn4nc(C)c3c2C)cc1OC ZINC000020445521 523985740 /nfs/dbraw/zinc/98/57/40/523985740.db2.gz OJBCNCZRQAUTMT-UHFFFAOYSA-N 0 0 439.559 6.141 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)cc1 ZINC000033168883 523989864 /nfs/dbraw/zinc/98/98/64/523989864.db2.gz FPZCMGSEEJGFNV-FQEVSTJZSA-N 0 0 432.593 5.354 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000020862338 523990526 /nfs/dbraw/zinc/99/05/26/523990526.db2.gz OCIQXNJIFYAXMZ-SFHVURJKSA-N 0 0 443.576 5.070 50 0 IKAARN COc1ccc(CN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)C2CC2)cc1 ZINC000012916114 523991317 /nfs/dbraw/zinc/99/13/17/523991317.db2.gz VCWHRCBSTLUQPS-UHFFFAOYSA-N 0 0 426.491 5.854 50 0 IKAARN CCc1ccc(NC(=O)c2cccc(-c3cc(Oc4ccccc4OC)ncn3)c2)cc1 ZINC000035526569 523992113 /nfs/dbraw/zinc/99/21/13/523992113.db2.gz RCMJYWDHPQWECI-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN CCc1ccc(NC(=O)c2nc3c(c(C)c(C)n3-c3ccccc3)c(N3CCCC3)n2)cc1 ZINC000033279946 523992919 /nfs/dbraw/zinc/99/29/19/523992919.db2.gz NEURGVJVDNTWPG-UHFFFAOYSA-N 0 0 439.563 5.452 50 0 IKAARN CCc1ccc(N[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(SC)cc2)cc1 ZINC000012413403 523996261 /nfs/dbraw/zinc/99/62/61/523996261.db2.gz GHPPBEQDNXYZNH-SANMLTNESA-N 0 0 431.645 7.695 50 0 IKAARN COc1ccc(CN(C)C(=O)c2cc(-c3cccs3)nc3ccccc32)c(OC)c1OC ZINC000018073814 523999037 /nfs/dbraw/zinc/99/90/37/523999037.db2.gz IXMSLWXFOCPCAU-UHFFFAOYSA-N 0 0 448.544 5.261 50 0 IKAARN CN(C)C(=O)[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1 ZINC000012556886 524010202 /nfs/dbraw/zinc/01/02/02/524010202.db2.gz SUMOSFWROKDOCT-IBGZPJMESA-N 0 0 425.604 5.788 50 0 IKAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)OCc4ccccc4)cc3)C2=O)cc1 ZINC000037545331 524027088 /nfs/dbraw/zinc/02/70/88/524027088.db2.gz ULHSADPCBHXWTI-UHFFFAOYSA-N 0 0 445.519 5.276 50 0 IKAARN CN(C)C1(c2nnnn2[C@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCCC1 ZINC000012381216 524037710 /nfs/dbraw/zinc/03/77/10/524037710.db2.gz DLXBMYSXNLRWTC-LEVJEWGPSA-N 0 0 436.431 6.002 50 0 IKAARN CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 ZINC000012848507 524040618 /nfs/dbraw/zinc/04/06/18/524040618.db2.gz CSLZLCJYCQWQSN-LEWJYISDSA-N 0 0 442.485 5.921 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021536660 524041076 /nfs/dbraw/zinc/04/10/76/524041076.db2.gz SZXMMDUIDHQSAN-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021536663 524041085 /nfs/dbraw/zinc/04/10/85/524041085.db2.gz NECSDQRRVVSLLU-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000021892966 524041097 /nfs/dbraw/zinc/04/10/97/524041097.db2.gz XFKOKWZLHJBJKQ-MUUNZHRXSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2CC)cc1 ZINC000021893050 524041279 /nfs/dbraw/zinc/04/12/79/524041279.db2.gz ZZXQMAKJHMOZQZ-MUUNZHRXSA-N 0 0 435.571 6.739 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(C)cc2)cc1 ZINC000021893131 524041309 /nfs/dbraw/zinc/04/13/09/524041309.db2.gz FKMJRGDDUODXJC-MUUNZHRXSA-N 0 0 435.571 6.163 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021536684 524041322 /nfs/dbraw/zinc/04/13/22/524041322.db2.gz ZSIQPFUIXRRQHB-AREMUKBSSA-N 0 0 443.497 6.455 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000021893008 524056674 /nfs/dbraw/zinc/05/66/74/524056674.db2.gz CFDHOUBZULPBNL-MHZLTWQESA-N 0 0 437.543 6.185 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000021892938 524056709 /nfs/dbraw/zinc/05/67/09/524056709.db2.gz BXISSEKIYQFOJM-MHZLTWQESA-N 0 0 437.543 6.185 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021536686 524056900 /nfs/dbraw/zinc/05/69/00/524056900.db2.gz XJLCCMIZESSUHQ-NDEPHWFRSA-N 0 0 435.571 5.897 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021536661 524057226 /nfs/dbraw/zinc/05/72/26/524057226.db2.gz NECSDQRRVVSLLU-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1 ZINC000022574390 524060863 /nfs/dbraw/zinc/06/08/63/524060863.db2.gz RXYISBMZSGYRMX-UHFFFAOYSA-N 0 0 436.964 5.896 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C ZINC000033022351 524063601 /nfs/dbraw/zinc/06/36/01/524063601.db2.gz AZVMYSOFRJOETC-UHFFFAOYSA-N 0 0 449.601 5.264 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088392 524065746 /nfs/dbraw/zinc/06/57/46/524065746.db2.gz ZQTHNZFGFPWJAC-UHFFFAOYSA-N 0 0 443.404 5.072 50 0 IKAARN COc1ccc(CNC(=O)c2cc3c(-c4cccs4)nn(-c4ccccc4)c3n2C)cc1 ZINC000033277419 524065967 /nfs/dbraw/zinc/06/59/67/524065967.db2.gz CNTVXHUPMIGJJO-UHFFFAOYSA-N 0 0 442.544 5.031 50 0 IKAARN CCc1cccc(C)c1NC(=S)N1CCn2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000020662443 524066209 /nfs/dbraw/zinc/06/62/09/524066209.db2.gz PODHYBQPVCSQOT-XMMPIXPASA-N 0 0 435.593 5.178 50 0 IKAARN CCc1cccc(CC)c1-n1c(SCc2occc2C(=O)OC)nnc1-c1cccnc1 ZINC000023355101 524067389 /nfs/dbraw/zinc/06/73/89/524067389.db2.gz OPPVEPVSNRVPGR-UHFFFAOYSA-N 0 0 448.548 5.126 50 0 IKAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020605412 524067397 /nfs/dbraw/zinc/06/73/97/524067397.db2.gz VSIKNXRLJJWJFS-UHFFFAOYSA-N 0 0 434.392 6.035 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3ccc(OC)cc3)c2)c1 ZINC000035928765 524071341 /nfs/dbraw/zinc/07/13/41/524071341.db2.gz HNTBWKHXJMJBRO-SANMLTNESA-N 0 0 446.572 5.217 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000035928707 524071410 /nfs/dbraw/zinc/07/14/10/524071410.db2.gz BCHZUGQQJZWOBM-XMMPIXPASA-N 0 0 436.964 5.933 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035928749 524071447 /nfs/dbraw/zinc/07/14/47/524071447.db2.gz QASQHQZNRCKNEB-XMMPIXPASA-N 0 0 436.964 5.933 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(OC)cc3)cc2)c1 ZINC000035928704 524071448 /nfs/dbraw/zinc/07/14/48/524071448.db2.gz NVLNULZNBJPGFF-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@@H](CC)c3ccccc3)cc2)c1 ZINC000035928722 524071522 /nfs/dbraw/zinc/07/15/22/524071522.db2.gz GMGIGSLMJCFHQS-IGKIAQTJSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000035928706 524071552 /nfs/dbraw/zinc/07/15/52/524071552.db2.gz BCHZUGQQJZWOBM-DEOSSOPVSA-N 0 0 436.964 5.933 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)c1 ZINC000035928720 524071567 /nfs/dbraw/zinc/07/15/67/524071567.db2.gz SBMJABHTWIJUJQ-SANMLTNESA-N 0 0 446.572 5.217 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 ZINC000013145839 524088796 /nfs/dbraw/zinc/08/87/96/524088796.db2.gz IUKLVEXLSTZUQX-IAGOWNOFSA-N 0 0 427.595 5.166 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000012771368 524089018 /nfs/dbraw/zinc/08/90/18/524089018.db2.gz QNUNDINEVWGDKY-IBGZPJMESA-N 0 0 428.561 5.369 50 0 IKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccc(F)c(F)c3)nc2c1 ZINC000023456186 524094001 /nfs/dbraw/zinc/09/40/01/524094001.db2.gz VHUSVAXPLDQPJD-UHFFFAOYSA-N 0 0 428.385 5.535 50 0 IKAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(Br)ccc3Cl)n2)C1 ZINC000012759718 524099603 /nfs/dbraw/zinc/09/96/03/524099603.db2.gz LUMXAYMTTDXQBD-NSHDSACASA-N 0 0 428.783 5.043 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)Cc4ccccc4)c3)C2=O)c1 ZINC000034736852 524101520 /nfs/dbraw/zinc/10/15/20/524101520.db2.gz GNSUYSPHTLBZHO-UHFFFAOYSA-N 0 0 427.548 5.317 50 0 IKAARN Cc1cccc(-c2ccc(N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)nn2)c1 ZINC000035398439 524108114 /nfs/dbraw/zinc/10/81/14/524108114.db2.gz FASVUQHDCFUEGI-UHFFFAOYSA-N 0 0 428.580 5.108 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(Cc4ccc(F)cc4)c(=O)c32)c1 ZINC000035400334 524111316 /nfs/dbraw/zinc/11/13/16/524111316.db2.gz XKWOQQIZQMMQNN-UHFFFAOYSA-N 0 0 429.470 5.343 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000033050709 524111604 /nfs/dbraw/zinc/11/16/04/524111604.db2.gz UOCBXWCLERHHLP-UHFFFAOYSA-N 0 0 429.589 6.049 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000021159779 524112258 /nfs/dbraw/zinc/11/22/58/524112258.db2.gz GGYLASQXCXWUGK-UHFFFAOYSA-N 0 0 444.623 5.367 50 0 IKAARN Cc1cccc(-c2csc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2-n2cccc2)c1 ZINC000021730615 524115081 /nfs/dbraw/zinc/11/50/81/524115081.db2.gz IYOFHXNXPYXIOP-UHFFFAOYSA-N 0 0 427.485 5.960 50 0 IKAARN COc1cccc([C@@H]2CCCCN2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012315504 524115186 /nfs/dbraw/zinc/11/51/86/524115186.db2.gz HVTRCFBHQZGFCT-NRFANRHFSA-N 0 0 440.927 5.768 50 0 IKAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)CCc4ccccc4)CC3)n2)c1 ZINC000035889911 524117992 /nfs/dbraw/zinc/11/79/92/524117992.db2.gz JJUANJRWHMLKAL-UHFFFAOYSA-N 0 0 442.607 5.165 50 0 IKAARN Cc1cccc(-c2nc(C)cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)c1 ZINC000035889626 524118407 /nfs/dbraw/zinc/11/84/07/524118407.db2.gz PTJBIOYFZWXKAY-UHFFFAOYSA-N 0 0 428.580 5.020 50 0 IKAARN Cc1cccc(-c2nc3ccccc3c(Nc3ccc(I)cc3)n2)c1 ZINC000016996279 524119584 /nfs/dbraw/zinc/11/95/84/524119584.db2.gz WKFXTGPSJPMLJL-UHFFFAOYSA-N 0 0 437.284 5.953 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000035482111 524120326 /nfs/dbraw/zinc/12/03/26/524120326.db2.gz FDMPOUDLGLQFJY-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021808261 524121338 /nfs/dbraw/zinc/12/13/38/524121338.db2.gz WFYKXEIKJFFWTO-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021808259 524121642 /nfs/dbraw/zinc/12/16/42/524121642.db2.gz WFYKXEIKJFFWTO-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3N2)c1 ZINC000036057958 524126361 /nfs/dbraw/zinc/12/63/61/524126361.db2.gz LQVVRETYJPAIQE-VOBQZIQPSA-N 0 0 444.457 5.043 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000035839968 524130639 /nfs/dbraw/zinc/13/06/39/524130639.db2.gz REMDOKYKTHCHEJ-UHFFFAOYSA-N 0 0 431.439 5.847 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021161981 524135225 /nfs/dbraw/zinc/13/52/25/524135225.db2.gz QKLFCQZCEIIPEH-XXBNENTESA-N 0 0 448.586 5.135 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 ZINC000033262615 524137113 /nfs/dbraw/zinc/13/71/13/524137113.db2.gz JRUFMHOSUULFSB-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN Cc1cccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2ccc(Cl)cc2)c1 ZINC000012659300 524140846 /nfs/dbraw/zinc/14/08/46/524140846.db2.gz WZVITROLURQYTP-UHFFFAOYSA-N 0 0 431.952 5.836 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734951 524141588 /nfs/dbraw/zinc/14/15/88/524141588.db2.gz LFPNHTDLKWMCPT-ROTSCOARSA-N 0 0 426.969 5.734 50 0 IKAARN COc1cccc([C@H](C)N(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036034072 524147426 /nfs/dbraw/zinc/14/74/26/524147426.db2.gz JODNYBZFZJRZEX-KRWDZBQOSA-N 0 0 429.513 5.108 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)c1 ZINC000021536477 524147383 /nfs/dbraw/zinc/14/73/83/524147383.db2.gz SYGNYRCSPAYFMO-AREMUKBSSA-N 0 0 443.497 6.509 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)c1 ZINC000033025271 524151453 /nfs/dbraw/zinc/15/14/53/524151453.db2.gz DCLWCNHFXDCJRV-IBGZPJMESA-N 0 0 438.531 5.695 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3NC2=O)c1 ZINC000020355300 524152869 /nfs/dbraw/zinc/15/28/69/524152869.db2.gz XIADIIJIBGAQKK-BHSKHCGUSA-N 0 0 440.568 5.888 50 0 IKAARN Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2nccs2)c1 ZINC000020616533 524155723 /nfs/dbraw/zinc/15/57/23/524155723.db2.gz HMUJGNXAIYMSDD-NMWGTECJSA-N 0 0 440.322 5.445 50 0 IKAARN COc1ccc(C[C@H](NC(=O)c2ccccc2Br)c2ccc(OC)cc2)cc1 ZINC000012696308 524156281 /nfs/dbraw/zinc/15/62/81/524156281.db2.gz GBJWCTLFBKNKCW-QFIPXVFZSA-N 0 0 440.337 5.180 50 0 IKAARN COc1cccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476841 524163427 /nfs/dbraw/zinc/16/34/27/524163427.db2.gz IULKIGBLRHOGRY-QHCPKHFHSA-N 0 0 429.545 5.914 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)NC(C)C)ccc2N(C)C)[C@@H](C)C(C)C)c1 ZINC000035946392 524166697 /nfs/dbraw/zinc/16/66/97/524166697.db2.gz GAZLFKMJTNHDKJ-FQEVSTJZSA-N 0 0 438.616 5.278 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734959 524170791 /nfs/dbraw/zinc/17/07/91/524170791.db2.gz LFPNHTDLKWMCPT-IHGRXGKKSA-N 0 0 426.969 5.734 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725029 524171207 /nfs/dbraw/zinc/17/12/07/524171207.db2.gz SIZARVKKIMZYHG-DNVCBOLYSA-N 0 0 444.522 6.713 50 0 IKAARN Cc1ccc(C)c(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=N)NC2=O)c1 ZINC000022228837 524180467 /nfs/dbraw/zinc/18/04/67/524180467.db2.gz GCUSOUKAUICMKA-MFOYZWKCSA-N 0 0 437.348 5.207 50 0 IKAARN COc1cccc([C@H]2[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928006 524187460 /nfs/dbraw/zinc/18/74/60/524187460.db2.gz PBUBDVXZWCABCS-DQEYMECFSA-N 0 0 426.516 5.085 50 0 IKAARN Cc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c(C)n1Cc1cccs1 ZINC000095369456 524188070 /nfs/dbraw/zinc/18/80/70/524188070.db2.gz IGHVHJKISKECQF-UHFFFAOYSA-N 0 0 428.970 5.639 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000021888540 524189240 /nfs/dbraw/zinc/18/92/40/524189240.db2.gz KJDPPKUEIAPNIL-DEOSSOPVSA-N 0 0 433.458 5.634 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2OC)c1 ZINC000021888534 524189475 /nfs/dbraw/zinc/18/94/75/524189475.db2.gz RLOHWPPNMMPIPZ-VWLOTQADSA-N 0 0 427.504 5.365 50 0 IKAARN COc1ccc(Cl)cc1-n1c(/C=C/c2cccc(OC)c2OC)nc2ccccc2c1=O ZINC000020662635 524190752 /nfs/dbraw/zinc/19/07/52/524190752.db2.gz WUQRZTQDQRXREG-SDNWHVSQSA-N 0 0 448.906 5.235 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000015870235 524194236 /nfs/dbraw/zinc/19/42/36/524194236.db2.gz JOTKFABHRKQMNL-UHFFFAOYSA-N 0 0 443.594 5.233 50 0 IKAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002985371 524195701 /nfs/dbraw/zinc/19/57/01/524195701.db2.gz NPCAXXGGIJGGSF-UHFFFAOYSA-N 0 0 438.361 5.252 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCC(CC[NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)c1 ZINC000035451329 524216057 /nfs/dbraw/zinc/21/60/57/524216057.db2.gz VDBBXHXHRUSAAV-UHFFFAOYSA-N 0 0 449.595 5.038 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(Oc3nc(-c4ccncc4)nc4ccccc43)cc2)c1 ZINC000012901050 524218819 /nfs/dbraw/zinc/21/88/19/524218819.db2.gz GMTDADITOGUOPA-UHFFFAOYSA-N 0 0 432.483 6.045 50 0 IKAARN Cc1cccc(C(=O)Nc2cccc(N3CCCN(Cc4cc(C)ccc4C)C3=O)c2)c1 ZINC000034736865 524220809 /nfs/dbraw/zinc/22/08/09/524220809.db2.gz REDQTMYHTGYLEB-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1C ZINC000012868786 524220961 /nfs/dbraw/zinc/22/09/61/524220961.db2.gz YBWCZQDUNGDCQH-SSEXGKCCSA-N 0 0 449.550 5.772 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCc2ccc(C)cc2)C1 ZINC000012586643 524221991 /nfs/dbraw/zinc/22/19/91/524221991.db2.gz HMCVJIWAYYXURD-FQEVSTJZSA-N 0 0 442.987 5.247 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccc(F)cc3)C2)cc1C ZINC000035949376 524229997 /nfs/dbraw/zinc/22/99/97/524229997.db2.gz DKBQTWMKLFYDGI-QHCPKHFHSA-N 0 0 437.559 5.015 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccs3)C2)cc1 ZINC000035835215 524234856 /nfs/dbraw/zinc/23/48/56/524234856.db2.gz BGYIBBXGJSUMCH-LJQANCHMSA-N 0 0 426.488 5.170 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267848 524235382 /nfs/dbraw/zinc/23/53/82/524235382.db2.gz BVZPMZNQXIMYRD-LJQANCHMSA-N 0 0 434.927 5.189 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000017265335 524235521 /nfs/dbraw/zinc/23/55/21/524235521.db2.gz PWFIAWWOPTVDMU-VWNXMTODSA-N 0 0 433.349 6.308 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890846 524236250 /nfs/dbraw/zinc/23/62/50/524236250.db2.gz OLIPANICVKTNSE-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)cc1 ZINC000015770922 524236755 /nfs/dbraw/zinc/23/67/55/524236755.db2.gz DDFCXSSSLHLJGN-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503193 524237439 /nfs/dbraw/zinc/23/74/39/524237439.db2.gz HBXGDPFMNASQFB-UHFFFAOYSA-N 0 0 435.911 5.586 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)c(C)c1 ZINC000012414937 524237557 /nfs/dbraw/zinc/23/75/57/524237557.db2.gz QIIZJHYSRIVETL-UHFFFAOYSA-N 0 0 445.950 5.761 50 0 IKAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(Br)ccc3Cl)n2)C1 ZINC000012759714 524238393 /nfs/dbraw/zinc/23/83/93/524238393.db2.gz LUMXAYMTTDXQBD-LLVKDONJSA-N 0 0 428.783 5.043 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)c2cc3ccccc3oc2=O)n1 ZINC000012276376 524241710 /nfs/dbraw/zinc/24/17/10/524241710.db2.gz SIXBQROGBPOMAN-UHFFFAOYSA-N 0 0 444.512 5.032 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000035327556 524241917 /nfs/dbraw/zinc/24/19/17/524241917.db2.gz VCHPDNGDXYYCBR-ZSYKKXJESA-N 0 0 437.536 5.109 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2 ZINC000035892117 524242047 /nfs/dbraw/zinc/24/20/47/524242047.db2.gz QQISBGPDPHJNRM-XXBNENTESA-N 0 0 440.543 5.556 50 0 IKAARN Cc1cccc(C)c1-n1c(=O)c2ccccc2nc1SCc1nc(-c2cccs2)no1 ZINC000023200354 524242524 /nfs/dbraw/zinc/24/25/24/524242524.db2.gz ZMVCUVHTWUWWNZ-UHFFFAOYSA-N 0 0 446.557 5.406 50 0 IKAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(F)c(F)c3)oc21 ZINC000012437481 524258946 /nfs/dbraw/zinc/25/89/46/524258946.db2.gz PIFBFJFMHJQSDE-RWEWTDSWSA-N 0 0 441.455 5.093 50 0 IKAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cc(C)ccc3C)oc21 ZINC000012437472 524259232 /nfs/dbraw/zinc/25/92/32/524259232.db2.gz IXAJPAUSWAADKC-QPLCGJKRSA-N 0 0 433.529 5.432 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccc4oc(-c5ccccc5OC)cc(=O)c4c3)oc21 ZINC000012296774 524259387 /nfs/dbraw/zinc/25/93/87/524259387.db2.gz RRFFOAOFMOAKCS-UHFFFAOYSA-N 0 0 441.439 5.476 50 0 biogenic IKAARN COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(F)c(Cl)c3)oc21 ZINC000012437383 524260083 /nfs/dbraw/zinc/26/00/83/524260083.db2.gz UCHIFDZIQFYDIH-LVWGJNHUSA-N 0 0 443.883 5.299 50 0 IKAARN COc1ccc(Cn2cnc3c4ccccc4n(Cc4cccc(Cl)c4)c3c2=O)cc1 ZINC000035400199 524264373 /nfs/dbraw/zinc/26/43/73/524264373.db2.gz MLNBTNXWHATZRG-UHFFFAOYSA-N 0 0 429.907 5.110 50 0 IKAARN COc1ccc(Cn2nccc2NC(=O)c2oc3cc(Br)ccc3c2C)cc1 ZINC000012321377 524265404 /nfs/dbraw/zinc/26/54/04/524265404.db2.gz CQCFGBNBMZRKKE-UHFFFAOYSA-N 0 0 440.297 5.009 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NC2CCCCC2)nc2cc(-c3ccccc3)nn21 ZINC000034832866 524266208 /nfs/dbraw/zinc/26/62/08/524266208.db2.gz JGTMTBLXKQXIDT-UHFFFAOYSA-N 0 0 426.520 5.134 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034832880 524267209 /nfs/dbraw/zinc/26/72/09/524267209.db2.gz NQIXZYPSIOZOCX-IBGZPJMESA-N 0 0 448.526 5.563 50 0 IKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Nc2ccc(F)c(F)c2)no1 ZINC000034922395 524268386 /nfs/dbraw/zinc/26/83/86/524268386.db2.gz LNZIRKMVUFFYRX-UHFFFAOYSA-N 0 0 439.418 5.456 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc3cc(Cl)ccc3[nH]2)no1 ZINC000033270996 524270617 /nfs/dbraw/zinc/27/06/17/524270617.db2.gz ALJDURKFURXRKA-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1Cl ZINC000020715480 524274914 /nfs/dbraw/zinc/27/49/14/524274914.db2.gz YAPQLHBAVCHXQP-INIZCTEOSA-N 0 0 431.279 5.037 50 0 IKAARN Cc1cc(C)c(Cn2c3cnccc3nc2SCc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000020415484 524276355 /nfs/dbraw/zinc/27/63/55/524276355.db2.gz UJCQKBAOSAAJBF-UHFFFAOYSA-N 0 0 441.522 6.716 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000012630065 524283376 /nfs/dbraw/zinc/28/33/76/524283376.db2.gz WDTHZOBUYLNDMS-UHFFFAOYSA-N 0 0 425.557 6.158 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000023860560 524284603 /nfs/dbraw/zinc/28/46/03/524284603.db2.gz GGIAAXPTNVBGPH-QFIPXVFZSA-N 0 0 443.591 5.027 50 0 IKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000020536296 524285819 /nfs/dbraw/zinc/28/58/19/524285819.db2.gz YCZOTNUNNHVDSZ-JOCHJYFZSA-N 0 0 430.523 6.236 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000012598912 524286639 /nfs/dbraw/zinc/28/66/39/524286639.db2.gz UOQOAZDREOLCDO-VXKWHMMOSA-N 0 0 429.564 5.259 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H](C)c1ccccc1F ZINC000012927562 524287569 /nfs/dbraw/zinc/28/75/69/524287569.db2.gz FDOSJHYVPQDHHN-SFHVURJKSA-N 0 0 429.495 5.237 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(C)c1 ZINC000012546236 524292816 /nfs/dbraw/zinc/29/28/16/524292816.db2.gz ILGJOHLJKIHSRL-UHFFFAOYSA-N 0 0 433.939 5.833 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009833755 524298182 /nfs/dbraw/zinc/29/81/82/524298182.db2.gz FHPDPEHHEUNAFU-AREMUKBSSA-N 0 0 430.573 5.372 50 0 IKAARN COc1ccccc1-n1c2nc(-c3ccc(C)s3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602916 524301324 /nfs/dbraw/zinc/30/13/24/524301324.db2.gz TUQZXUSIZVVIJT-UHFFFAOYSA-N 0 0 431.489 5.426 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)OC(C)(C)C)nnc1-c1ccccc1Cl ZINC000035840222 524301634 /nfs/dbraw/zinc/30/16/34/524301634.db2.gz UWAVXUGPKASAQC-UHFFFAOYSA-N 0 0 431.945 5.030 50 0 IKAARN COc1ccccc1-n1c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602919 524301667 /nfs/dbraw/zinc/30/16/67/524301667.db2.gz LYXTWQSJUMZNAN-UHFFFAOYSA-N 0 0 445.878 5.710 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C ZINC000012465641 524304351 /nfs/dbraw/zinc/30/43/51/524304351.db2.gz HASBTLLFIJYYAW-DNRQZRRGSA-N 0 0 436.596 5.358 50 0 IKAARN Cc1ccc(CCC2CCN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)cc1 ZINC000021128977 524304448 /nfs/dbraw/zinc/30/44/48/524304448.db2.gz ZYLVASJUXOTJBW-XMMPIXPASA-N 0 0 433.596 5.110 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)[C@@H]1C ZINC000012657106 524306726 /nfs/dbraw/zinc/30/67/26/524306726.db2.gz SOJJWOFKQNSRPW-CBGDNZLLSA-N 0 0 429.944 5.017 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(C)c1 ZINC000012905679 524323768 /nfs/dbraw/zinc/32/37/68/524323768.db2.gz CCXZGJNRBIUTJA-UHFFFAOYSA-N 0 0 444.988 5.051 50 0 IKAARN Cc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2F)S3)cc1 ZINC000020734573 524334255 /nfs/dbraw/zinc/33/42/55/524334255.db2.gz VJILTOKJTFLWPF-HZHRSRAPSA-N 0 0 432.520 5.192 50 0 IKAARN Cc1ccc(CCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000021915990 524334567 /nfs/dbraw/zinc/33/45/67/524334567.db2.gz JCDZXYFGWFTDDS-UHFFFAOYSA-N 0 0 427.548 5.342 50 0 IKAARN COc1ccccc1C(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(C)(C)C ZINC000035764695 524337398 /nfs/dbraw/zinc/33/73/98/524337398.db2.gz ZCPIQYIYQPWKNP-UHFFFAOYSA-N 0 0 448.563 5.066 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)c2-n1cccc1 ZINC000020465936 524350196 /nfs/dbraw/zinc/35/01/96/524350196.db2.gz VHKVZFAUWGGLLX-BALBBAFXSA-N 0 0 433.621 6.039 50 0 IKAARN C[C@@H](CC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000023454322 524350530 /nfs/dbraw/zinc/35/05/30/524350530.db2.gz WRIXKERESNFVCP-FQEVSTJZSA-N 0 0 441.550 6.200 50 0 IKAARN Cc1cc(C)c2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc(C)c2c1 ZINC000012547025 524352030 /nfs/dbraw/zinc/35/20/30/524352030.db2.gz DWQMHLXMZRWCPR-UHFFFAOYSA-N 0 0 441.984 5.003 50 0 IKAARN Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c2c1 ZINC000001068419 524352633 /nfs/dbraw/zinc/35/26/33/524352633.db2.gz HBXYFHSRLZDIFD-SFHVURJKSA-N 0 0 425.507 6.034 50 0 IKAARN Cc1cc(C)c2nc(S[C@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc(C)c2c1 ZINC000012650956 524352769 /nfs/dbraw/zinc/35/27/69/524352769.db2.gz NDYBSVGBHIRAEE-HZPDHXFCSA-N 0 0 447.431 6.825 50 0 IKAARN COc1ccccc1C(=O)Nc1c2ccccc2oc1-c1cc(=O)oc2c(C)cc(C)cc12 ZINC000012895849 524357179 /nfs/dbraw/zinc/35/71/79/524357179.db2.gz UXWLKEHCJMVJJF-UHFFFAOYSA-N 0 0 439.467 6.084 50 0 biogenic IKAARN COc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000035928701 524358444 /nfs/dbraw/zinc/35/84/44/524358444.db2.gz JFQNMTURPRTHJT-RUZDIDTESA-N 0 0 432.545 5.343 50 0 IKAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)CCC2CCCC2)C1 ZINC000035835448 524373767 /nfs/dbraw/zinc/37/37/67/524373767.db2.gz ZGPQBQATPQWITO-OAQYLSRUSA-N 0 0 438.543 5.327 50 0 IKAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)CCC2CCCC2)C1 ZINC000035839276 524373823 /nfs/dbraw/zinc/37/38/23/524373823.db2.gz LFAOTQLFPOTOOH-QFIPXVFZSA-N 0 0 438.543 5.327 50 0 IKAARN Cc1cc(C)cc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c1 ZINC000012870283 524386125 /nfs/dbraw/zinc/38/61/25/524386125.db2.gz SMJWSYHLFFZHQK-MRSBXDGLSA-N 0 0 436.548 6.070 50 0 IKAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000035912351 524390381 /nfs/dbraw/zinc/39/03/81/524390381.db2.gz QIAGGAHUPXOJJN-HSZRJFAPSA-N 0 0 438.936 5.380 50 0 IKAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035910945 524390604 /nfs/dbraw/zinc/39/06/04/524390604.db2.gz OBMZEQIOYVBBRP-QHCPKHFHSA-N 0 0 438.936 5.380 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000020903257 524411170 /nfs/dbraw/zinc/41/11/70/524411170.db2.gz LQBYHPVOMCQRAA-NDEPHWFRSA-N 0 0 443.591 5.516 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c1 ZINC000035928677 524411426 /nfs/dbraw/zinc/41/14/26/524411426.db2.gz QJVQFKUXDPCDIA-AREMUKBSSA-N 0 0 430.573 5.653 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000034796965 524411696 /nfs/dbraw/zinc/41/16/96/524411696.db2.gz HPHPSMNIZNAUSW-SANMLTNESA-N 0 0 430.573 5.653 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000015672450 524413401 /nfs/dbraw/zinc/41/34/01/524413401.db2.gz WYFHQTMARDEUJM-GTIOVZTQSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000033331652 524413835 /nfs/dbraw/zinc/41/38/35/524413835.db2.gz LSBHXGDSVASFDW-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccccc2F)CC2CC2)o1 ZINC000035845007 524415204 /nfs/dbraw/zinc/41/52/04/524415204.db2.gz ODPAPKTVOUVLIJ-UHFFFAOYSA-N 0 0 434.555 5.211 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2c(F)cccc2F)C(C)C)o1 ZINC000035844767 524415817 /nfs/dbraw/zinc/41/58/17/524415817.db2.gz VGLPLCKHSCSCQH-UHFFFAOYSA-N 0 0 440.534 5.348 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)C2CCCC2)s1 ZINC000035808153 524416620 /nfs/dbraw/zinc/41/66/20/524416620.db2.gz JIEOIDYGGKIZPP-UHFFFAOYSA-N 0 0 444.616 5.399 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)c1 ZINC000033000794 524421548 /nfs/dbraw/zinc/42/15/48/524421548.db2.gz FRBFCPOXUYJUHJ-UHFFFAOYSA-N 0 0 427.595 5.629 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccc(F)cc2)CCCC4)c1 ZINC000021048458 524425522 /nfs/dbraw/zinc/42/55/22/524425522.db2.gz GQQXLZIFEIXJRF-DEOSSOPVSA-N 0 0 434.580 6.562 50 0 IKAARN Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)CN(C(=O)c3ccccc3)C2)c1 ZINC000034715498 524425955 /nfs/dbraw/zinc/42/59/55/524425955.db2.gz JTRJZXOCYJGESC-RPBOFIJWSA-N 0 0 444.550 5.005 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(Cn3nc(-n4cccc4)c4c3nc(C)cc4C)cc2)c1 ZINC000020992863 524427188 /nfs/dbraw/zinc/42/71/88/524427188.db2.gz WYXORPMEIWHZON-UHFFFAOYSA-N 0 0 449.558 5.126 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021809657 524432746 /nfs/dbraw/zinc/43/27/46/524432746.db2.gz RSKWBGSRFMDFCU-AREMUKBSSA-N 0 0 449.620 5.265 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021808549 524433153 /nfs/dbraw/zinc/43/31/53/524433153.db2.gz JSISYLCKRYNECN-CYBGMGPVSA-N 0 0 449.620 5.121 50 0 IKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NCCc4ccccn4)cs3)c(F)c2)c1 ZINC000034713266 524446436 /nfs/dbraw/zinc/44/64/36/524446436.db2.gz PYMMNFWFZRRTNC-UHFFFAOYSA-N 0 0 447.535 5.204 50 0 IKAARN Cc1cccc(CO[C@H](CN2CCN(C(=O)CC(C)(C)C)CC2)c2ccc(Cl)cc2)c1 ZINC000022637044 524446457 /nfs/dbraw/zinc/44/64/57/524446457.db2.gz YQUWNMQHMJSORE-XMMPIXPASA-N 0 0 443.031 5.487 50 0 IKAARN COc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000015836569 524453676 /nfs/dbraw/zinc/45/36/76/524453676.db2.gz QGIYEQYJTDMZOH-YVLHZVERSA-N 0 0 425.488 5.208 50 0 IKAARN COc1ccccc1CNC(=O)CCc1cn(Cc2cc(C)ccc2C)c2ccccc12 ZINC000015678451 524461075 /nfs/dbraw/zinc/46/10/75/524461075.db2.gz HWYUBGMBOKBDCY-UHFFFAOYSA-N 0 0 426.560 5.564 50 0 IKAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1cccc(C(C)C)c1 ZINC000035527370 524475772 /nfs/dbraw/zinc/47/57/72/524475772.db2.gz MGNVCBWUBUBRNV-MUUNZHRXSA-N 0 0 442.559 5.097 50 0 IKAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1cccc(C(C)C)c1 ZINC000035527369 524479037 /nfs/dbraw/zinc/47/90/37/524479037.db2.gz MGNVCBWUBUBRNV-NDEPHWFRSA-N 0 0 442.559 5.097 50 0 IKAARN COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 ZINC000021361776 524479612 /nfs/dbraw/zinc/47/96/12/524479612.db2.gz XTRXTLYCTJTPIF-UHFFFAOYSA-N 0 0 433.895 5.012 50 0 IKAARN Cc1cccc(Cl)c1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 ZINC000021721726 524482539 /nfs/dbraw/zinc/48/25/39/524482539.db2.gz WISJMBDSABXNRQ-UHFFFAOYSA-N 0 0 428.901 5.036 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)c(C)c1 ZINC000012314625 524483008 /nfs/dbraw/zinc/48/30/08/524483008.db2.gz SMNZWVCQMQXTOZ-SFHVURJKSA-N 0 0 440.609 5.215 50 0 IKAARN COc1ccccc1CNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035721 524483198 /nfs/dbraw/zinc/48/31/98/524483198.db2.gz ZPIOCLJSEUUXCX-QHCPKHFHSA-N 0 0 443.547 5.037 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCc3ccccc3Cl)C2)c(C)c1 ZINC000011873367 524483326 /nfs/dbraw/zinc/48/33/26/524483326.db2.gz VDJRZKIUGKEDSP-IBGZPJMESA-N 0 0 442.987 5.247 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)cc1Cl ZINC000012471095 524484322 /nfs/dbraw/zinc/48/43/22/524484322.db2.gz ASBZFBRNZLSCKV-HXUWFJFHSA-N 0 0 442.987 5.329 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3cccc(Cl)c3)C2=O)cc1 ZINC000020573801 524485703 /nfs/dbraw/zinc/48/57/03/524485703.db2.gz HZZWAUCISITDMW-XMMPIXPASA-N 0 0 434.948 5.128 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3cc(C)cc(C)c3)C2=O)cc1 ZINC000020573796 524485737 /nfs/dbraw/zinc/48/57/37/524485737.db2.gz GIJFKFKHHZLQGP-SANMLTNESA-N 0 0 428.557 5.091 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000020573799 524486104 /nfs/dbraw/zinc/48/61/04/524486104.db2.gz WHFBOGOPMOBCRF-RUZDIDTESA-N 0 0 448.975 5.436 50 0 IKAARN Cc1ccc(CN2c3ccccc3S/C(=C\C(=O)NCCc3cccc(C)c3)C2=O)cc1 ZINC000020726838 524486765 /nfs/dbraw/zinc/48/67/65/524486765.db2.gz OXUKSCCQVYKUKW-UQQQWYQISA-N 0 0 442.584 5.185 50 0 IKAARN COc1ccccc1CNc1c(-c2cccc(OCc3ccccc3)c2)nc2ncccn21 ZINC000020996916 524490698 /nfs/dbraw/zinc/49/06/98/524490698.db2.gz QUNYSFMXMWHKLY-UHFFFAOYSA-N 0 0 436.515 5.596 50 0 IKAARN Cc1cccc(Cn2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc3ccsc32)c1 ZINC000035843834 524491445 /nfs/dbraw/zinc/49/14/45/524491445.db2.gz ZWFVUCWIUZQAQK-UHFFFAOYSA-N 0 0 428.601 6.154 50 0 IKAARN Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400546 524493254 /nfs/dbraw/zinc/49/32/54/524493254.db2.gz GQVRSRUQFZJJIQ-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2C2CCCCC2)c(OC)c1 ZINC000012552993 524509796 /nfs/dbraw/zinc/50/97/96/524509796.db2.gz WGXREDLWSGUEIA-UHFFFAOYSA-N 0 0 425.554 5.290 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(-c3ccccc3)n2)c(OC)c1 ZINC000012138987 524509850 /nfs/dbraw/zinc/50/98/50/524509850.db2.gz LMZMQFSNSPOSBN-UHFFFAOYSA-N 0 0 431.517 5.045 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c3ccccc32)c(OC)c1 ZINC000012176764 524513309 /nfs/dbraw/zinc/51/33/09/524513309.db2.gz HQNXAPAPTFYUAS-UHFFFAOYSA-N 0 0 445.544 5.353 50 0 IKAARN COc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000015721620 524521897 /nfs/dbraw/zinc/52/18/97/524521897.db2.gz HDJZQASNNYWHAA-JOCHJYFZSA-N 0 0 434.923 5.383 50 0 IKAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccc(Cl)cc3)c2c1=O ZINC000035400346 524522099 /nfs/dbraw/zinc/52/20/99/524522099.db2.gz PNCNPYWWRQPDCN-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3cccc(Cl)c3)c2c1=O ZINC000035400666 524522329 /nfs/dbraw/zinc/52/23/29/524522329.db2.gz DBVWTZVVLWWZBU-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000021536806 524525676 /nfs/dbraw/zinc/52/56/76/524525676.db2.gz RBHFJYBTIYFFTF-SANMLTNESA-N 0 0 441.962 6.254 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000021536361 524526129 /nfs/dbraw/zinc/52/61/29/524526129.db2.gz ADURCTHKQYLXID-LJAQVGFWSA-N 0 0 449.598 6.724 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2 ZINC000035892120 524531366 /nfs/dbraw/zinc/53/13/66/524531366.db2.gz QQISBGPDPHJNRM-WMZHIEFXSA-N 0 0 440.543 5.556 50 0 IKAARN Cc1ccc(CNC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000021932132 524531614 /nfs/dbraw/zinc/53/16/14/524531614.db2.gz AHCAAEUXDSRUEX-OAQYLSRUSA-N 0 0 432.911 5.287 50 0 IKAARN Cc1cccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)c1 ZINC000020618566 524532780 /nfs/dbraw/zinc/53/27/80/524532780.db2.gz DQJCLHRMZZAWKO-UHFFFAOYSA-N 0 0 446.450 5.349 50 0 IKAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccc(C)cc4c32)cc1 ZINC000021541061 524533167 /nfs/dbraw/zinc/53/31/67/524533167.db2.gz CMFYNHLEVHLSKK-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc4ccccc43)c2)c1 ZINC000035910353 524533776 /nfs/dbraw/zinc/53/37/76/524533776.db2.gz GWMVAIMEVRJDNR-MHZLTWQESA-N 0 0 438.552 6.179 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000035910350 524534241 /nfs/dbraw/zinc/53/42/41/524534241.db2.gz PKDNLNNLMUQOAE-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000020903240 524534891 /nfs/dbraw/zinc/53/48/91/524534891.db2.gz HFULCTOPSLZIRA-MUUNZHRXSA-N 0 0 443.591 5.516 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728639 524535061 /nfs/dbraw/zinc/53/50/61/524535061.db2.gz RVKHRCUOFINIIB-KHCKMINHSA-N 0 0 428.557 5.523 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734545 524535759 /nfs/dbraw/zinc/53/57/59/524535759.db2.gz TWDCPQZWTOWLMQ-FLVDCRJSSA-N 0 0 446.547 5.662 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000021526467 524535967 /nfs/dbraw/zinc/53/59/67/524535967.db2.gz QKDZUIAGPYMMKC-AREMUKBSSA-N 0 0 433.552 5.109 50 0 IKAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(SC(F)F)cc3)C2=O)n1 ZINC000012648072 524536395 /nfs/dbraw/zinc/53/63/95/524536395.db2.gz XKXUPKGOVLGBCV-CPNJWEJPSA-N 0 0 437.471 5.345 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000020903238 524536501 /nfs/dbraw/zinc/53/65/01/524536501.db2.gz HFULCTOPSLZIRA-NDEPHWFRSA-N 0 0 443.591 5.516 50 0 IKAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H](Nc4ccc(C(C)C)cc4)C3)cc2)n1 ZINC000012305459 524537476 /nfs/dbraw/zinc/53/74/76/524537476.db2.gz ILAUFIINARQJPY-SANMLTNESA-N 0 0 430.596 5.388 50 0 IKAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](Nc4ccc(C(C)C)cc4)C3)cc2)n1 ZINC000012305457 524537911 /nfs/dbraw/zinc/53/79/11/524537911.db2.gz ILAUFIINARQJPY-AREMUKBSSA-N 0 0 430.596 5.388 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)c(OC)c1 ZINC000021879820 524556464 /nfs/dbraw/zinc/55/64/64/524556464.db2.gz BPUYGQSZZTWGSM-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1OC ZINC000021879714 524556955 /nfs/dbraw/zinc/55/69/55/524556955.db2.gz MAAORLSXEJPJKU-RUZDIDTESA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000021879873 524557042 /nfs/dbraw/zinc/55/70/42/524557042.db2.gz DATIMIYGLRLVLU-VWLOTQADSA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000021879953 524557635 /nfs/dbraw/zinc/55/76/35/524557635.db2.gz GYULGXUTUGDRFE-VWLOTQADSA-N 0 0 427.504 5.365 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000021890991 524558517 /nfs/dbraw/zinc/55/85/17/524558517.db2.gz OQNABLWJASCDGL-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1OC ZINC000021890838 524559303 /nfs/dbraw/zinc/55/93/03/524559303.db2.gz SNHQMUWDCLGPJT-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 ZINC000012551599 524560705 /nfs/dbraw/zinc/56/07/05/524560705.db2.gz JLYCXJWRLSBINT-GOTSBHOMSA-N 0 0 443.591 5.112 50 0 IKAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2ccccc2C)n1 ZINC000021523651 524574649 /nfs/dbraw/zinc/57/46/49/524574649.db2.gz XOPDOJLDBCDXFS-HSZRJFAPSA-N 0 0 441.560 5.029 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)co3)cc2)cc1OC ZINC000021363235 524576690 /nfs/dbraw/zinc/57/66/90/524576690.db2.gz ZTAYZOLZTWODGJ-UHFFFAOYSA-N 0 0 429.476 5.978 50 0 IKAARN COc1ccc(NC(=O)Nc2c(N)n(-c3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000035868092 524577632 /nfs/dbraw/zinc/57/76/32/524577632.db2.gz CMDHOPSHZPZRKU-UHFFFAOYSA-N 0 0 433.899 5.428 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1OC ZINC000022504619 524578510 /nfs/dbraw/zinc/57/85/10/524578510.db2.gz UZJDBFHAGUGQNE-UHFFFAOYSA-N 0 0 437.521 5.002 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccccc1 ZINC000012554002 524585207 /nfs/dbraw/zinc/58/52/07/524585207.db2.gz IPPSPTLGINAGKE-HSZRJFAPSA-N 0 0 429.545 5.044 50 0 IKAARN C[C@@H](CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)c1ccccc1 ZINC000021526564 524587709 /nfs/dbraw/zinc/58/77/09/524587709.db2.gz QUKJMIZHXAIISN-PPHZAIPVSA-N 0 0 447.579 5.092 50 0 IKAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000035600958 524588138 /nfs/dbraw/zinc/58/81/38/524588138.db2.gz KGFLCLNPMXKFRV-HNAYVOBHSA-N 0 0 426.866 5.303 50 0 IKAARN C[C@@H](CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)c1ccccc1 ZINC000021526568 524588119 /nfs/dbraw/zinc/58/81/19/524588119.db2.gz QUKJMIZHXAIISN-UZTOHYMASA-N 0 0 447.579 5.092 50 0 IKAARN COc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N(C(=O)c2ccco2)c2ccccc2)cc1 ZINC000021785316 524589346 /nfs/dbraw/zinc/58/93/46/524589346.db2.gz JKHGNGWEVDMHEO-XMMPIXPASA-N 0 0 444.462 5.454 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl ZINC000012596710 524589734 /nfs/dbraw/zinc/58/97/34/524589734.db2.gz YUSZPLHUWNERPW-QHCPKHFHSA-N 0 0 449.938 5.033 50 0 IKAARN COc1ccccc1NC(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000012323003 524589781 /nfs/dbraw/zinc/58/97/81/524589781.db2.gz CPTATUBUFFTHIU-UHFFFAOYSA-N 0 0 429.472 5.049 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc1Cl ZINC000020745829 524591235 /nfs/dbraw/zinc/59/12/35/524591235.db2.gz XQWAUONTQZSDLL-INIZCTEOSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 ZINC000033327305 524596531 /nfs/dbraw/zinc/59/65/31/524596531.db2.gz AAQGFBVCRFRDNE-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN Cc1cccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)c1C ZINC000035534185 524605492 /nfs/dbraw/zinc/60/54/92/524605492.db2.gz JNWNUNSEURREOQ-UHFFFAOYSA-N 0 0 449.605 5.070 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000012654150 524608466 /nfs/dbraw/zinc/60/84/66/524608466.db2.gz UYXFZTHZUJVOHI-UHFFFAOYSA-N 0 0 440.931 5.765 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000035836034 524609037 /nfs/dbraw/zinc/60/90/37/524609037.db2.gz RVVVDJQFULCIIQ-OAQYLSRUSA-N 0 0 447.510 5.370 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035944477 524609130 /nfs/dbraw/zinc/60/91/30/524609130.db2.gz MOJXULHPJUPICE-NRFANRHFSA-N 0 0 449.938 5.576 50 0 IKAARN COc1ccc(NC(=O)[C@H](Oc2ccc(Cl)cc2Br)c2ccccc2)cc1 ZINC000012603211 524611637 /nfs/dbraw/zinc/61/16/37/524611637.db2.gz VESGORDZBBIAQP-HXUWFJFHSA-N 0 0 446.728 5.870 50 0 IKAARN Cc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)cc1 ZINC000012587995 524620256 /nfs/dbraw/zinc/62/02/56/524620256.db2.gz SKHUSHBSXNUCPL-UHFFFAOYSA-N 0 0 430.577 5.111 50 0 IKAARN Cc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012419484 524621812 /nfs/dbraw/zinc/62/18/12/524621812.db2.gz BYVFBMXSNBYNLF-UHFFFAOYSA-N 0 0 428.897 5.341 50 0 IKAARN COc1ccccc1NC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccc(C)cc21 ZINC000033106389 524626248 /nfs/dbraw/zinc/62/62/48/524626248.db2.gz JBJMDOINVCCQPV-UHFFFAOYSA-N 0 0 425.488 5.430 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000021888689 524628268 /nfs/dbraw/zinc/62/82/68/524628268.db2.gz WCLWPKORKDJJRL-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)c1 ZINC000021536527 524628915 /nfs/dbraw/zinc/62/89/15/524628915.db2.gz MRLJRPSHDYGASU-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c(OC)c1 ZINC000012897758 524629043 /nfs/dbraw/zinc/62/90/43/524629043.db2.gz AIYXLTKFRRMIRA-UHFFFAOYSA-N 0 0 427.298 5.089 50 0 IKAARN COc1ccc(NC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)cc1Cl ZINC000021043152 524630029 /nfs/dbraw/zinc/63/00/29/524630029.db2.gz PLPJFEUADQBBBU-UHFFFAOYSA-N 0 0 449.963 5.922 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c(OC)c1 ZINC000021915956 524635508 /nfs/dbraw/zinc/63/55/08/524635508.db2.gz GTOJCQYFGHCEGA-UHFFFAOYSA-N 0 0 445.519 5.331 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccccc4C3)c(C(=O)NC3CC3)c2)c1 ZINC000035723119 524643253 /nfs/dbraw/zinc/64/32/53/524643253.db2.gz ROOIHCBMUYJSQY-UHFFFAOYSA-N 0 0 440.547 5.094 50 0 IKAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4C)C3=O)c2)cc1 ZINC000035180875 524643911 /nfs/dbraw/zinc/64/39/11/524643911.db2.gz JMTPAKFMGRMONE-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1Cl ZINC000033025274 524644341 /nfs/dbraw/zinc/64/43/41/524644341.db2.gz PIVQMGQFULERLK-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCC(C)C)cc1 ZINC000033114609 524647032 /nfs/dbraw/zinc/64/70/32/524647032.db2.gz LSGDBWAULQDBSY-UHFFFAOYSA-N 0 0 431.605 6.049 50 0 IKAARN COc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2ccc(Cl)cn21 ZINC000035622060 524648463 /nfs/dbraw/zinc/64/84/63/524648463.db2.gz ZUCJWKCUZSUFMF-UHFFFAOYSA-N 0 0 444.716 5.875 50 0 IKAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000011916294 524649301 /nfs/dbraw/zinc/64/93/01/524649301.db2.gz CIVIHJYPIFJKCB-UHFFFAOYSA-N 0 0 442.382 5.709 50 0 IKAARN Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4ccco4)n3)s2)cc1 ZINC000012736462 524650307 /nfs/dbraw/zinc/65/03/07/524650307.db2.gz KBFVQLNWXVJKIO-UHFFFAOYSA-N 0 0 428.564 5.037 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](/C=C\c2ccco2)Nc2ccccc2-3)cc1 ZINC000033417817 524650589 /nfs/dbraw/zinc/65/05/89/524650589.db2.gz VEGZMQWHTKOCLM-SQZREULQSA-N 0 0 428.517 5.576 50 0 IKAARN COc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)cc1Cl ZINC000021053361 524654503 /nfs/dbraw/zinc/65/45/03/524654503.db2.gz SEBRKWSUWIFOMW-UHFFFAOYSA-N 0 0 439.302 5.941 50 0 IKAARN COc1ccc(NC(=O)c2oc3c(c2C)-c2nn(Cc4ccccc4Cl)cc2CC3)cc1 ZINC000020490202 524662595 /nfs/dbraw/zinc/66/25/95/524662595.db2.gz FKLHWIIKAQDTQX-UHFFFAOYSA-N 0 0 447.922 5.513 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc32)Cc2ccco2)cc1 ZINC000016977347 524664466 /nfs/dbraw/zinc/66/44/66/524664466.db2.gz NYGBCEGYHRNZFU-UHFFFAOYSA-N 0 0 437.540 5.659 50 0 IKAARN COc1ccc(NC(C)=O)cc1-n1c(Cc2cccc3ccccc32)nc2ccccc2c1=O ZINC000012794349 524668437 /nfs/dbraw/zinc/66/84/37/524668437.db2.gz RTWAQYYJGMXGRV-UHFFFAOYSA-N 0 0 449.510 5.097 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000014793448 524671477 /nfs/dbraw/zinc/67/14/77/524671477.db2.gz ZRPQFFJPFNZSHY-UHFFFAOYSA-N 0 0 445.906 5.775 50 0 IKAARN COc1ccccc1OCc1nc(CN(C(=O)Nc2ccc(C)cc2)C(C)C)cs1 ZINC000036032297 524688840 /nfs/dbraw/zinc/68/88/40/524688840.db2.gz FANINKBBGSLZQY-UHFFFAOYSA-N 0 0 425.554 5.482 50 0 IKAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)c1 ZINC000012680388 524693788 /nfs/dbraw/zinc/69/37/88/524693788.db2.gz NCPJQKRUEYTSJQ-UHFFFAOYSA-N 0 0 449.576 5.038 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033068735 524695936 /nfs/dbraw/zinc/69/59/36/524695936.db2.gz ULQPSGISBNPMMO-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000033068716 524696729 /nfs/dbraw/zinc/69/67/29/524696729.db2.gz RVSOCLVCXMRBAQ-UHFFFAOYSA-N 0 0 435.499 5.538 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1Cl ZINC000012696298 524703541 /nfs/dbraw/zinc/70/35/41/524703541.db2.gz YKNLCFKSBSOBDO-UHFFFAOYSA-N 0 0 439.393 5.688 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3n2)cc1 ZINC000020532794 524714352 /nfs/dbraw/zinc/71/43/52/524714352.db2.gz DDOARHRZVNCRKH-UHFFFAOYSA-N 0 0 447.922 6.210 50 0 IKAARN C[C@@H]1CC[C@H]2[C@]3(C)CO[C@@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000012870675 524714475 /nfs/dbraw/zinc/71/44/75/524714475.db2.gz CVOGMLCVYFNXLE-ABYARVPDSA-N 0 0 440.580 5.188 50 0 biogenic IKAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000012712890 524716161 /nfs/dbraw/zinc/71/61/61/524716161.db2.gz FSMXSMJCNWKQNU-CQSZACIVSA-N 0 0 434.414 5.114 50 0 IKAARN COc1ccc(Nc2nc(-c3nnc(-c4cccc(Cl)c4)o3)nc3ccccc32)cc1 ZINC000035446500 524716550 /nfs/dbraw/zinc/71/65/50/524716550.db2.gz AAXDIINKNFWJND-UHFFFAOYSA-N 0 0 429.867 5.752 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(SCc2ccc(F)c(F)c2)nnc1-c1cccnc1 ZINC000035840296 524718319 /nfs/dbraw/zinc/71/83/19/524718319.db2.gz AIXCJMKTAVTSOJ-UHFFFAOYSA-N 0 0 428.895 5.862 50 0 IKAARN COc1ccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954247 524720291 /nfs/dbraw/zinc/72/02/91/524720291.db2.gz FSFLFJACZBAQSM-UHFFFAOYSA-N 0 0 428.540 5.702 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000009663921 524729557 /nfs/dbraw/zinc/72/95/57/524729557.db2.gz NRTVVYZYALJPSR-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN Cc1cccc(OCCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)c1 ZINC000012378333 524736981 /nfs/dbraw/zinc/73/69/81/524736981.db2.gz KGPKWKISYLZKCW-UHFFFAOYSA-N 0 0 428.576 6.690 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000021548922 524738324 /nfs/dbraw/zinc/73/83/24/524738324.db2.gz UILMYEAXSGGUHB-CQSZACIVSA-N 0 0 426.775 5.104 50 0 IKAARN COc1ccccc1[C@@H](Nc1ccccn1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000035476846 524741678 /nfs/dbraw/zinc/74/16/78/524741678.db2.gz HKDOHEQNAKTTPW-HSZRJFAPSA-N 0 0 429.545 5.914 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891255 524749082 /nfs/dbraw/zinc/74/90/82/524749082.db2.gz ZMBCYQOMACSCSF-HSZRJFAPSA-N 0 0 433.964 6.638 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 ZINC000033258326 524749903 /nfs/dbraw/zinc/74/99/03/524749903.db2.gz LPRSWLGEJSZGJK-UHFFFAOYSA-N 0 0 439.947 5.176 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000021795806 524750639 /nfs/dbraw/zinc/75/06/39/524750639.db2.gz IRPHLFVWQALKNS-UHFFFAOYSA-N 0 0 436.947 5.735 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000021099928 524752163 /nfs/dbraw/zinc/75/21/63/524752163.db2.gz BAXOMUUCXQBABS-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1cccc(Oc2c(CN(C[C@@H]3CCCO3)C(=O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980760 524785158 /nfs/dbraw/zinc/78/51/58/524785158.db2.gz OIPMRTCCEXKYLM-QHCPKHFHSA-N 0 0 447.579 5.351 50 0 IKAARN Cc1cccc(Oc2c(CN(C[C@H]3CCCO3)C(=O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980761 524786641 /nfs/dbraw/zinc/78/66/41/524786641.db2.gz OIPMRTCCEXKYLM-HSZRJFAPSA-N 0 0 447.579 5.351 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccco3)C(=O)c3ccc(C)cc3)no2)c1 ZINC000036011854 524790338 /nfs/dbraw/zinc/79/03/38/524790338.db2.gz PRSKTXLZCSOXLO-UHFFFAOYSA-N 0 0 432.476 5.103 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccccc3)C(=O)c3cccc(F)c3)no2)c1 ZINC000036011866 524791900 /nfs/dbraw/zinc/79/19/00/524791900.db2.gz YTGIUQQZHRRMQO-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)no2)c1 ZINC000036012160 524791915 /nfs/dbraw/zinc/79/19/15/524791915.db2.gz PQWRRYOBPZPRTP-UHFFFAOYSA-N 0 0 428.916 5.311 50 0 IKAARN COc1ccc(OC)c(/C=C\C(=O)N(c2nc3ccccc3s2)c2ccccc2C)c1 ZINC000035211773 524799818 /nfs/dbraw/zinc/79/98/18/524799818.db2.gz PSLUMPXIPITFOH-QINSGFPZSA-N 0 0 430.529 6.000 50 0 IKAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1 ZINC000021728748 524805095 /nfs/dbraw/zinc/80/50/95/524805095.db2.gz POBFXKDCXPFPOW-HXUWFJFHSA-N 0 0 429.907 5.675 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035928032 524811518 /nfs/dbraw/zinc/81/15/18/524811518.db2.gz YDPYIMQEKSBEIB-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)c1 ZINC000033288731 524812564 /nfs/dbraw/zinc/81/25/64/524812564.db2.gz PBMSVXOPCMVPJQ-HXUWFJFHSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1cccc([C@@H](CC(=O)NC2CC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035768449 524833692 /nfs/dbraw/zinc/83/36/92/524833692.db2.gz CBIKDSBLWLVXKI-RUZDIDTESA-N 0 0 426.535 5.938 50 0 IKAARN Cc1cccc([C@@H](CC(=O)NC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000034889648 524835036 /nfs/dbraw/zinc/83/50/36/524835036.db2.gz MUHWGNYOFSGVKO-RUZDIDTESA-N 0 0 428.551 6.184 50 0 IKAARN Cc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000012617446 524855652 /nfs/dbraw/zinc/85/56/52/524855652.db2.gz BUTAOKSAUSHZIE-RXVVDRJESA-N 0 0 425.351 6.061 50 0 IKAARN COc1ccc(OC)c(NC(=O)NCC23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 ZINC000018181127 524858861 /nfs/dbraw/zinc/85/88/61/524858861.db2.gz XNURUAAZYNOJRH-YDXVBCDDSA-N 0 0 434.580 5.672 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c1 ZINC000021890854 524859835 /nfs/dbraw/zinc/85/98/35/524859835.db2.gz AOSIVXBMQGJFQY-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1 ZINC000021891225 524860357 /nfs/dbraw/zinc/86/03/57/524860357.db2.gz IRJKUJOVLIJIEI-XMMPIXPASA-N 0 0 445.544 5.693 50 0 IKAARN COc1ccc(OC)c(NC(=O)Nc2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)c1 ZINC000033278498 524862744 /nfs/dbraw/zinc/86/27/44/524862744.db2.gz RMYZIAFRPSFSSF-UHFFFAOYSA-N 0 0 443.503 5.880 50 0 IKAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000022649500 524871040 /nfs/dbraw/zinc/87/10/40/524871040.db2.gz RAFLMKJZKQXRPZ-UHFFFAOYSA-N 0 0 429.479 5.186 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(-c3cccs3)nc3onc(C)c32)c1 ZINC000021205228 524893685 /nfs/dbraw/zinc/89/36/85/524893685.db2.gz QLTIYDBNADZCQG-IBGZPJMESA-N 0 0 449.532 5.254 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC2CCCC2)CCCC4)c1 ZINC000021539829 524901522 /nfs/dbraw/zinc/90/15/22/524901522.db2.gz NFOWRURADNXPFZ-VWLOTQADSA-N 0 0 445.632 6.283 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000021893230 524901903 /nfs/dbraw/zinc/90/19/03/524901903.db2.gz BWBBCRWUUMAMLR-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)c1 ZINC000021536729 524902850 /nfs/dbraw/zinc/90/28/50/524902850.db2.gz VNOGQQLRKFIDPI-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000021536725 524902907 /nfs/dbraw/zinc/90/29/07/524902907.db2.gz PBKWAMSHWLWKMY-SANMLTNESA-N 0 0 425.507 6.370 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000021893213 524903071 /nfs/dbraw/zinc/90/30/71/524903071.db2.gz WKFUNQIOPOXJNR-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1Cl ZINC000022579401 524911553 /nfs/dbraw/zinc/91/15/53/524911553.db2.gz URXFFKUSDVTJFQ-LBPRGKRZSA-N 0 0 441.305 5.001 50 0 IKAARN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000012825334 524911836 /nfs/dbraw/zinc/91/18/36/524911836.db2.gz WMSHMDZHNVLIAP-IBGZPJMESA-N 0 0 446.978 5.737 50 0 IKAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000021728869 524912758 /nfs/dbraw/zinc/91/27/58/524912758.db2.gz QKAZMVAUBLXKJY-JOCHJYFZSA-N 0 0 439.515 5.339 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OCCOc3ccccc3)[C@H]2c2cccs2)cc1 ZINC000012630557 524917478 /nfs/dbraw/zinc/91/74/78/524917478.db2.gz YIZFEFYPIFJWLF-URXFXBBRSA-N 0 0 435.545 5.163 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OCCOc3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000012630553 524918267 /nfs/dbraw/zinc/91/82/67/524918267.db2.gz YIZFEFYPIFJWLF-XUZZJYLKSA-N 0 0 435.545 5.163 50 0 IKAARN COc1ccc(OC)c([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000012196360 524918514 /nfs/dbraw/zinc/91/85/14/524918514.db2.gz GVAILLQFWRPENC-PGRDOPGGSA-N 0 0 426.925 5.661 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2Cl)c(C)c1 ZINC000035912195 524919803 /nfs/dbraw/zinc/91/98/03/524919803.db2.gz BUWYHKXTXFOGFC-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c(C)c1 ZINC000035912221 524920564 /nfs/dbraw/zinc/92/05/64/524920564.db2.gz TVJSBXXHHBWVAH-AREMUKBSSA-N 0 0 430.573 5.653 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1F ZINC000035928650 524921236 /nfs/dbraw/zinc/92/12/36/524921236.db2.gz FSAYKLBZGKMDGW-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1F ZINC000035928565 524921263 /nfs/dbraw/zinc/92/12/63/524921263.db2.gz BNBSWCQNGUOFQM-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1C ZINC000035912255 524921296 /nfs/dbraw/zinc/92/12/96/524921296.db2.gz NRZLCOSRAUCKRR-RUZDIDTESA-N 0 0 446.528 5.063 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](C)S[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000012447766 524928853 /nfs/dbraw/zinc/92/88/53/524928853.db2.gz WAUHMWKUQMKFPU-SSOJOUAXSA-N 0 0 448.975 5.517 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1Cl ZINC000020902799 524931160 /nfs/dbraw/zinc/93/11/60/524931160.db2.gz MHAUDFVNYAQYKW-SANMLTNESA-N 0 0 449.982 5.471 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000020902809 524931323 /nfs/dbraw/zinc/93/13/23/524931323.db2.gz YCVCJWQLYCWETD-HHHXNRCGSA-N 0 0 429.564 5.126 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000021808277 524931743 /nfs/dbraw/zinc/93/17/43/524931743.db2.gz RCRKYOZGPNCHBP-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3Br)C2=O)c(C)c1 ZINC000012651996 524932982 /nfs/dbraw/zinc/93/29/82/524932982.db2.gz ZANCVPSLDMWCDQ-XMHGGMMESA-N 0 0 447.332 5.706 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3Br)C2=O)cc1C ZINC000012648039 524933467 /nfs/dbraw/zinc/93/34/67/524933467.db2.gz NQWILMYNBPUBKJ-ZHZULCJRSA-N 0 0 447.332 5.706 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1Br ZINC000021410458 524944939 /nfs/dbraw/zinc/94/49/39/524944939.db2.gz IIEPKVWJGKVUFU-LBPRGKRZSA-N 0 0 435.268 5.192 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F ZINC000021310741 524945232 /nfs/dbraw/zinc/94/52/32/524945232.db2.gz DXYXTZFAQGSPBR-NSHDSACASA-N 0 0 425.262 5.737 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)c2ccccc2F)c1 ZINC000034735967 524946571 /nfs/dbraw/zinc/94/65/71/524946571.db2.gz CBFLETCLBAOPDI-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cc(C)cc(C)c3)C2=O)c(NC(=O)Nc2ccccc2)c1 ZINC000034737456 524948166 /nfs/dbraw/zinc/94/81/66/524948166.db2.gz VBWBEBOXGOQGJG-UHFFFAOYSA-N 0 0 442.563 6.088 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NC(=O)c2ccccc2)c1 ZINC000034736923 524948195 /nfs/dbraw/zinc/94/81/95/524948195.db2.gz QVGRLKXTDCNJTR-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1ccc(OCCSCc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000012578558 524962896 /nfs/dbraw/zinc/96/28/96/524962896.db2.gz BSKYVFNRCIXTOT-UHFFFAOYSA-N 0 0 442.537 5.112 50 0 IKAARN C[C@@H](Cn1cnc2c3cc(F)ccc3n(Cc3ccc(Cl)cc3)c2c1=O)c1ccccc1 ZINC000035400485 524965700 /nfs/dbraw/zinc/96/57/00/524965700.db2.gz NKEVGVRVNUVMBG-KRWDZBQOSA-N 0 0 445.925 5.996 50 0 IKAARN C[C@H](NC(=O)COC(=O)CCSc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012541454 524966793 /nfs/dbraw/zinc/96/67/93/524966793.db2.gz VNNCNJXCPHAHGO-SCUMNGBJSA-N 0 0 436.017 5.087 50 0 IKAARN COc1ccc(OCc2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C)no2)cc1 ZINC000035453772 524977761 /nfs/dbraw/zinc/97/77/61/524977761.db2.gz WBGUPPVRVNYTPM-UHFFFAOYSA-N 0 0 445.500 5.065 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc2ccccc21 ZINC000012598933 524978730 /nfs/dbraw/zinc/97/87/30/524978730.db2.gz RQOBRQPJWSQNFO-INIZCTEOSA-N 0 0 446.551 5.542 50 0 IKAARN C[C@H](NC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000035891677 524983221 /nfs/dbraw/zinc/98/32/21/524983221.db2.gz RMUCLLGTYOUKHJ-AVRDEDQJSA-N 0 0 426.516 5.306 50 0 IKAARN COc1ccc(Oc2c(CN(C(=O)NC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000035978516 524989549 /nfs/dbraw/zinc/98/95/49/524989549.db2.gz BZOYGMGPPSKFOT-UHFFFAOYSA-N 0 0 434.540 5.064 50 0 IKAARN COc1ccc(Oc2c(CN(CC3CC3)C(=O)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000035980641 524990381 /nfs/dbraw/zinc/99/03/81/524990381.db2.gz DIZLVYUPLKIHBP-UHFFFAOYSA-N 0 0 431.536 5.037 50 0 IKAARN COc1ccc(Oc2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2)cc1 ZINC000033115897 524992568 /nfs/dbraw/zinc/99/25/68/524992568.db2.gz ITPHBXMWLYDXNE-IBGZPJMESA-N 0 0 441.487 5.366 50 0 IKAARN COc1ccc(Oc2nc(-c3ccc(OC)cc3)ncc2C(=O)N(C)C2CCCCC2)cc1 ZINC000035988170 524993479 /nfs/dbraw/zinc/99/34/79/524993479.db2.gz DSAAFLQGEQBVCP-UHFFFAOYSA-N 0 0 447.535 5.358 50 0 IKAARN Cc1cccc2sc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c(Cl)c21 ZINC000012756128 524999775 /nfs/dbraw/zinc/99/97/75/524999775.db2.gz MDQLXQBUJBRNCK-STQMWFEESA-N 0 0 436.002 5.181 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2n1 ZINC000000999399 525002127 /nfs/dbraw/zinc/00/21/27/525002127.db2.gz FNXWMWNMZFJCGX-UHFFFAOYSA-N 0 0 425.507 5.312 50 0 IKAARN Cc1ccccc1-c1cc2c(c(O[C@H]3CCOC3)c1)OCCN(C(=O)c1ccc(F)cc1)C2 ZINC000012281124 525003889 /nfs/dbraw/zinc/00/38/89/525003889.db2.gz VUXARXWPWPIERL-QHCPKHFHSA-N 0 0 447.506 5.004 50 0 IKAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccc(F)cc4CC[C@H]3C)CC2)nn1 ZINC000022493857 525004530 /nfs/dbraw/zinc/00/45/30/525004530.db2.gz ZAHHDBCPDGKSDJ-LJQANCHMSA-N 0 0 444.554 5.175 50 0 IKAARN Cc1ccccc1-n1c(=S)n(CN2CCC[C@@H]2c2cccs2)nc1-c1cccnc1 ZINC000012551040 525024340 /nfs/dbraw/zinc/02/43/40/525024340.db2.gz OLCWJOJHJJRGRF-HXUWFJFHSA-N 0 0 433.606 5.630 50 0 IKAARN Cc1ccccc1-n1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)c1ccccc1 ZINC000022409592 525025169 /nfs/dbraw/zinc/02/51/69/525025169.db2.gz STUSFWOHONRRHS-UHFFFAOYSA-N 0 0 448.979 5.816 50 0 IKAARN Cc1ccccc1-n1c(SCc2cn3ccccc3n2)nnc1-c1cc2occc2n1C ZINC000020927102 525026394 /nfs/dbraw/zinc/02/63/94/525026394.db2.gz ZBXWUYZESUUXQI-UHFFFAOYSA-N 0 0 440.532 5.267 50 0 IKAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 ZINC000012609568 525027176 /nfs/dbraw/zinc/02/71/76/525027176.db2.gz JQNKGAKROSIYEG-MRXNPFEDSA-N 0 0 449.967 5.410 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3cc(C)nc4cc(-c5ccc(F)cc5)nn43)CC2)cc1 ZINC000033275046 525029263 /nfs/dbraw/zinc/02/92/63/525029263.db2.gz BBIJASVTPBAGDA-UHFFFAOYSA-N 0 0 443.526 5.007 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4o3)no2)cc1C ZINC000021721807 525040072 /nfs/dbraw/zinc/04/00/72/525040072.db2.gz PBDRGFBIHHEBII-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN Cc1ccccc1C(=O)N1C[C@@H](C(=O)NCCC(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036042172 525049510 /nfs/dbraw/zinc/04/95/10/525049510.db2.gz GWCVQPQLDAJUTQ-FGZHOGPDSA-N 0 0 446.513 5.032 50 0 IKAARN Cc1ccccc1C(=O)N1C[C@H](C(=O)NCCC(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036042174 525049850 /nfs/dbraw/zinc/04/98/50/525049850.db2.gz GWCVQPQLDAJUTQ-YADHBBJMSA-N 0 0 446.513 5.032 50 0 IKAARN C[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@H](C)O1 ZINC000012620830 525055561 /nfs/dbraw/zinc/05/55/61/525055561.db2.gz JWVCPRQCIKOFRB-BIENJYKASA-N 0 0 426.866 5.148 50 0 IKAARN Cc1cc(N2CCC(O)(c3ccc(Br)cc3)CC2)nc2cc(Cl)ccc12 ZINC000023634680 525059315 /nfs/dbraw/zinc/05/93/15/525059315.db2.gz JTTXBRBTIXGEGP-UHFFFAOYSA-N 0 0 431.761 5.447 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035928098 525062943 /nfs/dbraw/zinc/06/29/43/525062943.db2.gz NXGKTKZSQPYUPR-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000035910394 525063195 /nfs/dbraw/zinc/06/31/95/525063195.db2.gz DHZYXUYZGONSBN-SANMLTNESA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000035928422 525063253 /nfs/dbraw/zinc/06/32/53/525063253.db2.gz QXFQZTXMFWHZNN-RUZDIDTESA-N 0 0 431.561 5.092 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)c1 ZINC000035928158 525065505 /nfs/dbraw/zinc/06/55/05/525065505.db2.gz VXPKFVFTFMAZOY-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000012825332 525068813 /nfs/dbraw/zinc/06/88/13/525068813.db2.gz WMSHMDZHNVLIAP-LJQANCHMSA-N 0 0 446.978 5.737 50 0 IKAARN Cc1ccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c(Cl)c1 ZINC000020856131 525076162 /nfs/dbraw/zinc/07/61/62/525076162.db2.gz XBALKRASJVMHFX-UHFFFAOYSA-N 0 0 431.388 6.460 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc32)c(Cl)c1 ZINC000033114731 525079451 /nfs/dbraw/zinc/07/94/51/525079451.db2.gz COUYTYFYSLQMCI-UHFFFAOYSA-N 0 0 426.973 5.313 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc1Cl ZINC000035533306 525084738 /nfs/dbraw/zinc/08/47/38/525084738.db2.gz RWYWQEPCQFTAAK-UHFFFAOYSA-N 0 0 448.017 5.015 50 0 IKAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C(C)(C)C)cc1 ZINC000012389871 525092960 /nfs/dbraw/zinc/09/29/60/525092960.db2.gz QOIBVQJNSOECPC-UHFFFAOYSA-N 0 0 432.586 5.046 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Cl)c(Cl)c1 ZINC000021409755 525095883 /nfs/dbraw/zinc/09/58/83/525095883.db2.gz KIGSSRKGMBRNCC-LLVKDONJSA-N 0 0 425.262 5.737 50 0 IKAARN C[C@@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)c1ccc(F)cc1 ZINC000012302504 525096385 /nfs/dbraw/zinc/09/63/85/525096385.db2.gz YUYNMRYVEDOIKA-OAHLLOKOSA-N 0 0 427.907 5.142 50 0 IKAARN Cc1ccccc1CCC(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023446779 525102223 /nfs/dbraw/zinc/10/22/23/525102223.db2.gz ORGHVNVTSZYKHS-UHFFFAOYSA-N 0 0 437.587 5.732 50 0 IKAARN C[C@@H](NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1 ZINC000012607703 525113546 /nfs/dbraw/zinc/11/35/46/525113546.db2.gz XCWGKYBZBOQABH-MRXNPFEDSA-N 0 0 441.453 5.247 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(-c2ccccc2)cc1 ZINC000012681203 525126117 /nfs/dbraw/zinc/12/61/17/525126117.db2.gz OPYCOBWZZMMPBS-MRXNPFEDSA-N 0 0 433.508 5.512 50 0 IKAARN C[C@@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000035908418 525126543 /nfs/dbraw/zinc/12/65/43/525126543.db2.gz SFXZQUJFEUOKMP-DYESRHJHSA-N 0 0 436.477 6.586 50 0 IKAARN C[C@@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000035888536 525127069 /nfs/dbraw/zinc/12/70/69/525127069.db2.gz JTBRMQVLNOZVCI-VGOFRKELSA-N 0 0 436.477 6.586 50 0 IKAARN C[C@@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000035891944 525130252 /nfs/dbraw/zinc/13/02/52/525130252.db2.gz VVLWCRAQZGPXQV-UZLBHIALSA-N 0 0 437.370 6.874 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c(C)c1 ZINC000033113248 525130426 /nfs/dbraw/zinc/13/04/26/525130426.db2.gz ICYGIQBSUSBECV-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1C ZINC000034908811 525132035 /nfs/dbraw/zinc/13/20/35/525132035.db2.gz ZTUVKZWCSCFMOW-QHCPKHFHSA-N 0 0 429.495 6.620 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021808664 525134528 /nfs/dbraw/zinc/13/45/28/525134528.db2.gz OJQMFILUECOAHD-XCUQADKLSA-N 0 0 449.620 5.121 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021809368 525135599 /nfs/dbraw/zinc/13/55/99/525135599.db2.gz RUUJVLVZKWBQPL-QRRVGDGBSA-N 0 0 449.620 5.121 50 0 IKAARN C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cc2ccccc2o1 ZINC000022315828 525141229 /nfs/dbraw/zinc/14/12/29/525141229.db2.gz NUAHEVNSRFGSDG-GOSISDBHSA-N 0 0 425.488 5.239 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034757402 525144454 /nfs/dbraw/zinc/14/44/54/525144454.db2.gz ZLJKCGYQMHXZNZ-UHFFFAOYSA-N 0 0 443.551 5.158 50 0 IKAARN C[C@H](NC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000037545712 525147239 /nfs/dbraw/zinc/14/72/39/525147239.db2.gz WBJJABUOHILKAR-DNVKUUNQSA-N 0 0 446.978 5.811 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1F ZINC000021536179 525148526 /nfs/dbraw/zinc/14/85/26/525148526.db2.gz IBBLQWPNNAVWNJ-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000021893624 525148623 /nfs/dbraw/zinc/14/86/23/525148623.db2.gz XNJIBNDZOJAGBU-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1Cl ZINC000021536116 525148777 /nfs/dbraw/zinc/14/87/77/525148777.db2.gz SNOGJNHEHCUWTD-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CN(C)CC4)c(Cl)c1 ZINC000035426941 525148841 /nfs/dbraw/zinc/14/88/41/525148841.db2.gz RUGBPKHTVYAWBJ-OAHLLOKOSA-N 0 0 441.000 5.597 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000021888672 525148880 /nfs/dbraw/zinc/14/88/80/525148880.db2.gz IYPIHOPDLWOSKN-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1F ZINC000021536850 525148889 /nfs/dbraw/zinc/14/88/89/525148889.db2.gz AEPVMBJULBUGCX-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1Cl ZINC000021536377 525148897 /nfs/dbraw/zinc/14/88/97/525148897.db2.gz VPUWVMWJSMXLGX-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1Cl ZINC000021536379 525149243 /nfs/dbraw/zinc/14/92/43/525149243.db2.gz VPUWVMWJSMXLGX-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)cc1F ZINC000021536550 525149441 /nfs/dbraw/zinc/14/94/41/525149441.db2.gz YPWWGOSDRXPTHQ-RUZDIDTESA-N 0 0 447.460 6.340 50 0 IKAARN Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)c(C)c1 ZINC000022762379 525150941 /nfs/dbraw/zinc/15/09/41/525150941.db2.gz SXGLJNVKQQLRCH-ZDUSSCGKSA-N 0 0 448.470 5.094 50 0 IKAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000016400863 525154411 /nfs/dbraw/zinc/15/44/11/525154411.db2.gz KTIBGBAMAIVHSP-UHFFFAOYSA-N 0 0 449.359 5.065 50 0 IKAARN Cc1cc(NC(=O)CSc2nc(C)c(Cc3cc(Cl)ccc3Cl)s2)no1 ZINC000012273962 525156490 /nfs/dbraw/zinc/15/64/90/525156490.db2.gz UHNBLTBEOXAQEU-UHFFFAOYSA-N 0 0 428.366 5.376 50 0 IKAARN Cc1ccc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c(Cl)c1 ZINC000032951468 525160435 /nfs/dbraw/zinc/16/04/35/525160435.db2.gz PFLUWZJTXDUFPC-UHFFFAOYSA-N 0 0 432.955 5.605 50 0 IKAARN COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2C)N2Cc3ccccc3C2=O)cc1OC ZINC000020561078 525171490 /nfs/dbraw/zinc/17/14/90/525171490.db2.gz ACZTVVZSTCBPFY-HSZRJFAPSA-N 0 0 444.531 5.047 50 0 IKAARN COc1ccc([C@@H](CC(=O)N[C@H](C)c2ccccc2)c2cn(C)c3ccccc23)cc1OC ZINC000035891465 525172322 /nfs/dbraw/zinc/17/23/22/525172322.db2.gz LTUWGVIKFYKLMW-AUSIDOKSSA-N 0 0 442.559 5.595 50 0 IKAARN COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2C)N2Cc3ccccc3C2=O)cc1 ZINC000020560645 525172499 /nfs/dbraw/zinc/17/24/99/525172499.db2.gz COTZAQPSQJBHEE-HSZRJFAPSA-N 0 0 434.923 5.383 50 0 IKAARN COc1ccc([C@@H](CNC(=O)NCc2ccc(C)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000033062407 525182804 /nfs/dbraw/zinc/18/28/04/525182804.db2.gz UIPUWIQOUWJBET-JOCHJYFZSA-N 0 0 443.547 5.125 50 0 IKAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl ZINC000035911030 525184923 /nfs/dbraw/zinc/18/49/23/525184923.db2.gz FFMMBEFJCUZLMV-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)cc1C ZINC000033009589 525185703 /nfs/dbraw/zinc/18/57/03/525185703.db2.gz QGVQUCIKFLERPO-UHFFFAOYSA-N 0 0 442.563 6.190 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)cc1 ZINC000021711685 525185768 /nfs/dbraw/zinc/18/57/68/525185768.db2.gz RWWKONVULGLDQQ-UHFFFAOYSA-N 0 0 428.448 5.009 50 0 IKAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000021784515 525186378 /nfs/dbraw/zinc/18/63/78/525186378.db2.gz BVAZGUWTTIHCBQ-GOSISDBHSA-N 0 0 435.549 5.044 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c(Cl)c1 ZINC000021099917 525187080 /nfs/dbraw/zinc/18/70/80/525187080.db2.gz GIUZDDUJCWSLSP-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1Cl ZINC000021156796 525187339 /nfs/dbraw/zinc/18/73/39/525187339.db2.gz KQUHGOREZZEHPI-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1Cl ZINC000021099897 525188524 /nfs/dbraw/zinc/18/85/24/525188524.db2.gz DNQHWFOSAGYOOC-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccccc1F ZINC000021527563 525200874 /nfs/dbraw/zinc/20/08/74/525200874.db2.gz XGAFLTBJNSQLGX-AREMUKBSSA-N 0 0 433.527 5.039 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(F)c1 ZINC000020903301 525202068 /nfs/dbraw/zinc/20/20/68/525202068.db2.gz HQYZIIAUEYGSRE-HHHXNRCGSA-N 0 0 447.554 5.429 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000021160042 525209100 /nfs/dbraw/zinc/20/91/00/525209100.db2.gz NHLDSCPSFKIEKS-NHCUHLMSSA-N 0 0 444.623 5.114 50 0 IKAARN Cc1cc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)ccc1Br ZINC000020531040 525213172 /nfs/dbraw/zinc/21/31/72/525213172.db2.gz BATSADVCTXWYDC-OAQYLSRUSA-N 0 0 435.321 5.093 50 0 IKAARN Cc1cc(NC(=O)[C@@H](SCCOc2ccc(Br)cc2)c2ccccc2)no1 ZINC000012576656 525213926 /nfs/dbraw/zinc/21/39/26/525213926.db2.gz MRPNFCKJHOWKRQ-IBGZPJMESA-N 0 0 447.354 5.238 50 0 IKAARN Cc1ccccc1N1C(=O)c2ccccc2C(=CNc2ccc(Br)cc2)C1=O ZINC000012312034 525221100 /nfs/dbraw/zinc/22/11/00/525221100.db2.gz DVLCOJYJKVNSRD-XSFVSMFZSA-N 0 0 433.305 5.398 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021809169 525222042 /nfs/dbraw/zinc/22/20/42/525222042.db2.gz KJESNXRXLAFWKB-LAVPKYONSA-N 0 0 435.593 5.125 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3)c3ccccc3S2)cc1 ZINC000016953580 525235414 /nfs/dbraw/zinc/23/54/14/525235414.db2.gz JPGYREVTMJFGMQ-QFIPXVFZSA-N 0 0 436.508 5.043 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001142062 525238919 /nfs/dbraw/zinc/23/89/19/525238919.db2.gz SSLALFCPSPIGGL-HNNXBMFYSA-N 0 0 443.330 5.502 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc3ccccc32)cc1 ZINC000012623574 525239050 /nfs/dbraw/zinc/23/90/50/525239050.db2.gz MDNCPAREZZJWRZ-SANMLTNESA-N 0 0 436.511 5.605 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N[C@H]3c4ccccc4C(=O)N3CC(C)C)cc2)cc1C ZINC000035730714 525240236 /nfs/dbraw/zinc/24/02/36/525240236.db2.gz VABKXOQVLMWNNX-RUZDIDTESA-N 0 0 427.548 5.778 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(CSc3ccc(-c4ccccc4)nn3)c2)cc1C ZINC000035730069 525244884 /nfs/dbraw/zinc/24/48/84/525244884.db2.gz PCEOMVJVPHKMII-UHFFFAOYSA-N 0 0 425.557 6.305 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c(Cl)c1 ZINC000020939186 525245360 /nfs/dbraw/zinc/24/53/60/525245360.db2.gz FGXNVFMYDGOBPG-UHFFFAOYSA-N 0 0 438.940 5.440 50 0 IKAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000015910731 525248832 /nfs/dbraw/zinc/24/88/32/525248832.db2.gz AWTGORGZABTZRL-UHFFFAOYSA-N 0 0 443.830 5.275 50 0 IKAARN Cc1ccc(NC(=O)c2ccn([C@H](C)C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1Cl ZINC000020617329 525249603 /nfs/dbraw/zinc/24/96/03/525249603.db2.gz VBELTYNGNYERDA-CQSZACIVSA-N 0 0 431.323 5.259 50 0 IKAARN COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)c2ccccc12 ZINC000035105634 525251184 /nfs/dbraw/zinc/25/11/84/525251184.db2.gz LQKDNTCCNBXOHV-UPVQGACJSA-N 0 0 434.923 5.946 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C(C)C)cc1 ZINC000021536309 525251832 /nfs/dbraw/zinc/25/18/32/525251832.db2.gz WHWXBNRNZDCCAT-MUUNZHRXSA-N 0 0 435.571 7.046 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000021536306 525251985 /nfs/dbraw/zinc/25/19/85/525251985.db2.gz WHWXBNRNZDCCAT-NDEPHWFRSA-N 0 0 435.571 7.046 50 0 IKAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c(C)c1 ZINC000012527100 525254127 /nfs/dbraw/zinc/25/41/27/525254127.db2.gz YWSIFLGECWHXCT-UHFFFAOYSA-N 0 0 428.336 5.174 50 0 IKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccccc1Br ZINC000012914020 525254557 /nfs/dbraw/zinc/25/45/57/525254557.db2.gz ZLFWEFNTFDZPPA-GFCCVEGCSA-N 0 0 433.327 5.155 50 0 IKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1Cl ZINC000021923065 525254789 /nfs/dbraw/zinc/25/47/89/525254789.db2.gz STYIKYADAKKLCM-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cccc(C)c4C)C3)s2)cc1 ZINC000033113287 525261855 /nfs/dbraw/zinc/26/18/55/525261855.db2.gz GLCNCJKPYOHOGZ-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccc(C)cc4C)C3)s2)cc1 ZINC000033113327 525262053 /nfs/dbraw/zinc/26/20/53/525262053.db2.gz OTUSULDSJLKHBJ-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(Br)cc2)n2ccccc12 ZINC000012341993 525263324 /nfs/dbraw/zinc/26/33/24/525263324.db2.gz QJJFAJVNHXPZMA-UHFFFAOYSA-N 0 0 448.320 5.076 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cc(C)ccc4C)C3)s2)cc1 ZINC000033113294 525263440 /nfs/dbraw/zinc/26/34/40/525263440.db2.gz XKJOUSHNYHLQKZ-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN COc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)c(OC)c1OC ZINC000016215738 525268730 /nfs/dbraw/zinc/26/87/30/525268730.db2.gz PDLSYQWSTDVRAT-RUZDIDTESA-N 0 0 441.487 5.032 50 0 IKAARN COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=S)NCc2ccccc2)cc1 ZINC000012340727 525274986 /nfs/dbraw/zinc/27/49/86/525274986.db2.gz JFODARZXLSRAHZ-UKILVPOCSA-N 0 0 427.573 5.093 50 0 IKAARN C[C@H](NC(=S)N=[P@@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 ZINC000012648322 525276679 /nfs/dbraw/zinc/27/66/79/525276679.db2.gz OZNNEBVFCDKOKT-VKGTZQKMSA-N 0 0 429.570 5.195 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000015724872 525276566 /nfs/dbraw/zinc/27/65/66/525276566.db2.gz DZWBNFUAWOMVKO-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021880011 525276608 /nfs/dbraw/zinc/27/66/08/525276608.db2.gz AWEJYYZZIYSTNL-XMMPIXPASA-N 0 0 433.458 5.634 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021879919 525277296 /nfs/dbraw/zinc/27/72/96/525277296.db2.gz DSOBGGMUMURHPD-XMMPIXPASA-N 0 0 431.923 6.010 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021892161 525281336 /nfs/dbraw/zinc/28/13/36/525281336.db2.gz KKHPVZNVLFIIEN-RUZDIDTESA-N 0 0 445.469 5.901 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021892146 525281480 /nfs/dbraw/zinc/28/14/80/525281480.db2.gz OQNXLHPEIZOHLN-RUZDIDTESA-N 0 0 427.479 5.762 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1ccccc1SCc1cc(=O)c2ccccc2[nH]1 ZINC000021099154 525281567 /nfs/dbraw/zinc/28/15/67/525281567.db2.gz BXRKPDWZNWTOJX-UHFFFAOYSA-N 0 0 430.529 5.146 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000021892018 525281810 /nfs/dbraw/zinc/28/18/10/525281810.db2.gz YRMDHAHJXRXYKM-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021522963 525281895 /nfs/dbraw/zinc/28/18/95/525281895.db2.gz AMWMNKKSFCGWAG-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1OC ZINC000021892704 525281908 /nfs/dbraw/zinc/28/19/08/525281908.db2.gz ZIYNLPWVCMCKHP-RUZDIDTESA-N 0 0 433.552 5.155 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1OC ZINC000021892473 525282191 /nfs/dbraw/zinc/28/21/91/525282191.db2.gz LMRDWJKFYDKGMX-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021892269 525282288 /nfs/dbraw/zinc/28/22/88/525282288.db2.gz XRWAPSFQDMXXFE-RUZDIDTESA-N 0 0 445.469 5.901 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(Br)c1 ZINC000021033675 525299239 /nfs/dbraw/zinc/29/92/39/525299239.db2.gz CUYKZQWZKLGFMT-UHFFFAOYSA-N 0 0 433.327 5.091 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccccc3Cl)c2)cc1 ZINC000012600024 525300290 /nfs/dbraw/zinc/30/02/90/525300290.db2.gz YGVFSCKAWQCJPQ-UHFFFAOYSA-N 0 0 442.968 5.030 50 0 IKAARN COc1ccc([C@H](C)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036034028 525301771 /nfs/dbraw/zinc/30/17/71/525301771.db2.gz YOIYEXGSSVTELR-KRWDZBQOSA-N 0 0 445.968 5.622 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1 ZINC000020888766 525307564 /nfs/dbraw/zinc/30/75/64/525307564.db2.gz JPRDPGSRKWDYEO-UHFFFAOYSA-N 0 0 425.458 6.160 50 0 IKAARN C[C@]1(O)c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000035073626 525313846 /nfs/dbraw/zinc/31/38/46/525313846.db2.gz FDVCVRVOUODMNO-HLCMLFPZSA-N 0 0 448.562 5.181 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)nc(C)n2)cc1 ZINC000021795639 525322439 /nfs/dbraw/zinc/32/24/39/525322439.db2.gz BBAVPDOVYOLJRT-UHFFFAOYSA-N 0 0 438.535 6.533 50 0 IKAARN Cc1ccc(Nc2nc(C)c(NC(=O)c3ccc(F)cc3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000021153016 525324828 /nfs/dbraw/zinc/32/48/28/525324828.db2.gz HUURYYOYWPQUNV-UHFFFAOYSA-N 0 0 441.510 6.280 50 0 IKAARN Cc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)c1ccccc1C)CC2 ZINC000034758210 525325628 /nfs/dbraw/zinc/32/56/28/525325628.db2.gz KKMZCKCTWGMQRS-UHFFFAOYSA-N 0 0 442.563 5.075 50 0 IKAARN C[C@@H](NC(=O)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)c1ccccc1 ZINC000035181083 525343730 /nfs/dbraw/zinc/34/37/30/525343730.db2.gz WORVHECKCXTFAC-LJQANCHMSA-N 0 0 431.511 5.149 50 0 IKAARN COc1ccc([C@H](CC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910784 525344695 /nfs/dbraw/zinc/34/46/95/525344695.db2.gz NJHCQNMWSVGSQW-QFIPXVFZSA-N 0 0 432.495 5.163 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1C ZINC000020497986 525394711 /nfs/dbraw/zinc/39/47/11/525394711.db2.gz YCEAVGPMFIPUND-UHFFFAOYSA-N 0 0 448.522 6.796 50 0 IKAARN Cc1nc(SCc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)[nH]c1Cc1ccccc1 ZINC000016097394 525413149 /nfs/dbraw/zinc/41/31/49/525413149.db2.gz JHKSFGLEGRSDNU-CYBMUJFWSA-N 0 0 436.606 5.024 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000012461756 525427182 /nfs/dbraw/zinc/42/71/82/525427182.db2.gz FDHDQOMUDWIMJB-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1 ZINC000012372306 525428497 /nfs/dbraw/zinc/42/84/97/525428497.db2.gz GXAINGZCCLEUJS-UHFFFAOYSA-N 0 0 444.591 5.593 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(C)c1C ZINC000017135681 525428710 /nfs/dbraw/zinc/42/87/10/525428710.db2.gz MMIIMCNTQDAWCV-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@H](Nc1cccc(C)n1)c1ccccn1 ZINC000021805674 525430524 /nfs/dbraw/zinc/43/05/24/525430524.db2.gz GEHFKRATFUUQHB-HHHXNRCGSA-N 0 0 447.542 6.029 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3C)cc2c1[C@@H](Nc1ccccn1)c1ccccn1 ZINC000021805836 525431705 /nfs/dbraw/zinc/43/17/05/525431705.db2.gz IOSIQQGHXCADAC-MHZLTWQESA-N 0 0 447.542 6.029 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000016426421 525434293 /nfs/dbraw/zinc/43/42/93/525434293.db2.gz AWMQDHRZKDUBPK-UHFFFAOYSA-N 0 0 444.585 5.684 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021879913 525437788 /nfs/dbraw/zinc/43/77/88/525437788.db2.gz YVIYVGSBXZZGRI-DEOSSOPVSA-N 0 0 431.923 6.010 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021879917 525438200 /nfs/dbraw/zinc/43/82/00/525438200.db2.gz DSOBGGMUMURHPD-DEOSSOPVSA-N 0 0 431.923 6.010 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)cc1C ZINC000012584864 525438657 /nfs/dbraw/zinc/43/86/57/525438657.db2.gz YGAKHPBJFCMUGX-DEOSSOPVSA-N 0 0 430.577 5.145 50 0 IKAARN Cc1cc(SCc2nc(COc3c(Cl)cccc3Cl)no2)c(C)cc1Cl ZINC000012369709 525438798 /nfs/dbraw/zinc/43/87/98/525438798.db2.gz QJECYQYZHYWWEV-UHFFFAOYSA-N 0 0 429.756 6.518 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cccs2)c(F)c1 ZINC000011842840 525438751 /nfs/dbraw/zinc/43/87/51/525438751.db2.gz LMCHXCZIMKOSMR-VWLOTQADSA-N 0 0 434.536 5.484 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)o1 ZINC000012676437 525440740 /nfs/dbraw/zinc/44/07/40/525440740.db2.gz DOBHVEXLRNGEGN-CYBMUJFWSA-N 0 0 427.913 5.455 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000021782149 525442100 /nfs/dbraw/zinc/44/21/00/525442100.db2.gz QWGMGXOBSHWWOC-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021892157 525442149 /nfs/dbraw/zinc/44/21/49/525442149.db2.gz KKHPVZNVLFIIEN-VWLOTQADSA-N 0 0 445.469 5.901 50 0 IKAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000022672617 525443102 /nfs/dbraw/zinc/44/31/02/525443102.db2.gz ZKCTXOYDONMWNH-QYBDOPJKSA-N 0 0 439.596 5.649 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@H](c4ccccc4)[C@@]2(C)C3(Cl)Cl)cc1OC ZINC000012656600 525446408 /nfs/dbraw/zinc/44/64/08/525446408.db2.gz BSUGGWNAIDDENT-VXNXHJTFSA-N 0 0 441.354 6.317 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(F)ccc1F ZINC000021536852 525448369 /nfs/dbraw/zinc/44/83/69/525448369.db2.gz DRTOLIBSLIBZRQ-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3C)nc12 ZINC000021156844 525460254 /nfs/dbraw/zinc/46/02/54/525460254.db2.gz YLTWGPPDSKOJQR-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)Nc4cccc(Cl)c4C)c3)nc12 ZINC000021099958 525461124 /nfs/dbraw/zinc/46/11/24/525461124.db2.gz JHOSYQWNCMFUHM-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1cccn2cc(COc3cccc(C(=O)N[C@@H]4CCSc5ccccc54)c3)nc12 ZINC000012539237 525472303 /nfs/dbraw/zinc/47/23/03/525472303.db2.gz DNWOGCGZHPITSW-JOCHJYFZSA-N 0 0 429.545 5.189 50 0 IKAARN Cc1cccn2cc(COc3cccc(C(=O)N[C@H]4CCSc5ccccc54)c3)nc12 ZINC000012539239 525474409 /nfs/dbraw/zinc/47/44/09/525474409.db2.gz DNWOGCGZHPITSW-QFIPXVFZSA-N 0 0 429.545 5.189 50 0 IKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000012911077 525474564 /nfs/dbraw/zinc/47/45/64/525474564.db2.gz PQJBIYNTOSOSGM-UHFFFAOYSA-N 0 0 438.911 5.525 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1)[C@H]3c1ccc(F)cc1 ZINC000021880105 525481381 /nfs/dbraw/zinc/48/13/81/525481381.db2.gz QYQBZGMTPIKYFV-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1C)[C@@H]3c1ccc(F)cc1 ZINC000015725420 525481686 /nfs/dbraw/zinc/48/16/86/525481686.db2.gz WVOILFABTIPMGD-AREMUKBSSA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(CC(C)C)on1)[C@H]3c1ccc(F)cc1 ZINC000021779847 525482534 /nfs/dbraw/zinc/48/25/34/525482534.db2.gz ZLOFXCVEAWSLKV-VWLOTQADSA-N 0 0 447.510 5.290 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1C)[C@@H]3c1ccc(F)cc1 ZINC000021880107 525482785 /nfs/dbraw/zinc/48/27/85/525482785.db2.gz HDAMBOWUMPMMCB-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1C)[C@@H]3c1ccc(F)cc1 ZINC000015725381 525482863 /nfs/dbraw/zinc/48/28/63/525482863.db2.gz NPDIMMCKYSBXRO-AREMUKBSSA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1F)[C@@H]3c1ccc(F)cc1 ZINC000021880130 525482937 /nfs/dbraw/zinc/48/29/37/525482937.db2.gz HMUVMNZILZMDMJ-XMMPIXPASA-N 0 0 433.458 5.634 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(OC)c1)[C@H]3c1ccc(F)cc1 ZINC000021880084 525482987 /nfs/dbraw/zinc/48/29/87/525482987.db2.gz HGCPQYJLCQBFMK-VWLOTQADSA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1C)[C@H]3c1ccc(C)cc1 ZINC000015725450 525483102 /nfs/dbraw/zinc/48/31/02/525483102.db2.gz LUBBAYGTNHTSSB-MHZLTWQESA-N 0 0 439.559 6.281 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1OC)[C@H]3c1ccc(F)cc1 ZINC000021880082 525483240 /nfs/dbraw/zinc/48/32/40/525483240.db2.gz KKPTYQVPJVOVPH-VWLOTQADSA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1F)[C@H]3c1ccc(C)cc1 ZINC000021880200 525483437 /nfs/dbraw/zinc/48/34/37/525483437.db2.gz IXXJKUWQBVWFRL-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(OC)c1)[C@H]3c1ccc(F)cc1 ZINC000021779851 525483622 /nfs/dbraw/zinc/48/36/22/525483622.db2.gz BUJQUYOSWUERJK-VWLOTQADSA-N 0 0 430.479 5.112 50 0 IKAARN COc1ccc2[nH]cc(CCNC(=O)c3nc(-c4ccccc4Cl)sc3C)c2c1 ZINC000011866148 525493981 /nfs/dbraw/zinc/49/39/81/525493981.db2.gz LFORBMCKBWIYLY-UHFFFAOYSA-N 0 0 425.941 5.234 50 0 biogenic IKAARN COc1ccc2c(C)cc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2c1 ZINC000012541278 525496319 /nfs/dbraw/zinc/49/63/19/525496319.db2.gz OOYQLYGZIMONNL-OAQYLSRUSA-N 0 0 438.524 5.005 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000020511896 525502004 /nfs/dbraw/zinc/50/20/04/525502004.db2.gz HIECZOCDEIMPPP-HKARXFIJSA-N 0 0 438.543 5.450 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000020511917 525502107 /nfs/dbraw/zinc/50/21/07/525502107.db2.gz QZTNJOBMCMWWOH-SAHWJRBASA-N 0 0 438.543 5.450 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000035684914 525507244 /nfs/dbraw/zinc/50/72/44/525507244.db2.gz KUKIYHPVKVZTEO-HNNXBMFYSA-N 0 0 434.805 5.101 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000035684910 525507541 /nfs/dbraw/zinc/50/75/41/525507541.db2.gz VHDLSNPYQYWDDZ-AWEZNQCLSA-N 0 0 434.805 5.101 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N(C)c1ccccc1 ZINC000012650118 525508169 /nfs/dbraw/zinc/50/81/69/525508169.db2.gz GDASYWZYXTXQQA-UHFFFAOYSA-N 0 0 444.918 5.683 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000035685010 525508986 /nfs/dbraw/zinc/50/89/86/525508986.db2.gz ASZWAHCWXMICBL-INIZCTEOSA-N 0 0 448.376 5.068 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCc1nc2ccccc2[nH]1 ZINC000012546579 525509225 /nfs/dbraw/zinc/50/92/25/525509225.db2.gz FUHMCZGPRLPAPF-UHFFFAOYSA-N 0 0 427.891 6.097 50 0 IKAARN Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020734458 525539718 /nfs/dbraw/zinc/53/97/18/525539718.db2.gz XFAZBYOLRKISAC-QHCPKHFHSA-N 0 0 425.532 5.081 50 0 IKAARN Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020734091 525540607 /nfs/dbraw/zinc/54/06/07/525540607.db2.gz CRFQIAIMETYMQW-QHCPKHFHSA-N 0 0 425.532 5.476 50 0 IKAARN CSCC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000012533251 525587115 /nfs/dbraw/zinc/58/71/15/525587115.db2.gz AFHLQVHXHIQGNW-QFIPXVFZSA-N 0 0 439.625 5.630 50 0 IKAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)[C@H]1CCOC(C)(C)C1)C2 ZINC000011913299 525587119 /nfs/dbraw/zinc/58/71/19/525587119.db2.gz UIELHFRKHGVJDI-JTHBVZDNSA-N 0 0 444.575 5.144 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2[C@H](C)c2ccccc2)s1 ZINC000034680256 525590798 /nfs/dbraw/zinc/59/07/98/525590798.db2.gz YECOLAHJUNDTQD-MRXNPFEDSA-N 0 0 442.506 6.569 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N1C[C@H](C)C[C@@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000020466824 525597641 /nfs/dbraw/zinc/59/76/41/525597641.db2.gz CIGPFBMMZHNKTE-HUUCEWRRSA-N 0 0 428.985 6.099 50 0 IKAARN Cc1ccn(CCc2nc(-c3ccc(C)c(C)c3)c(C(=O)c3ccc(C)c(C)c3)s2)n1 ZINC000020605993 525600093 /nfs/dbraw/zinc/60/00/93/525600093.db2.gz KTVAFZYMASZKOA-UHFFFAOYSA-N 0 0 429.589 6.022 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccc(Cl)cc4)ccc3C)nc2c1 ZINC000033068077 525606683 /nfs/dbraw/zinc/60/66/83/525606683.db2.gz LJZRPMFWEOIFHU-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN COc1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C)cc2-c1ccccc1 ZINC000035088390 525607334 /nfs/dbraw/zinc/60/73/34/525607334.db2.gz DSJLZSYNJKFYHR-PNCHPQGNSA-N 0 0 434.605 6.086 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4cccc(Cl)c4)ccc3C)nc2c1 ZINC000033068076 525607881 /nfs/dbraw/zinc/60/78/81/525607881.db2.gz NFMHWHAZEJFXMY-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C(C)(C)C)cc2)N(c2nccs2)C1=O ZINC000009253522 525608637 /nfs/dbraw/zinc/60/86/37/525608637.db2.gz AQFRYHVALHOLFK-FQEVSTJZSA-N 0 0 446.528 5.305 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035873304 525609727 /nfs/dbraw/zinc/60/97/27/525609727.db2.gz ONBFYZLXTLRJGM-HNNXBMFYSA-N 0 0 448.485 5.390 50 0 IKAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)Nc3cc(C)ccc3OC)cc1)c2=O ZINC000012442460 525609604 /nfs/dbraw/zinc/60/96/04/525609604.db2.gz WBWKQHGEEWMVIQ-UHFFFAOYSA-N 0 0 431.444 5.163 50 0 IKAARN Cc1ccn2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(-c5ccccc5)c(F)c4)C3)nc2c1 ZINC000012432865 525615313 /nfs/dbraw/zinc/61/53/13/525615313.db2.gz XDBNSXUNNFHYKR-NRFANRHFSA-N 0 0 441.506 5.184 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(C[C@H](C)c2ccccc2)C3=O)o1 ZINC000021810779 525615729 /nfs/dbraw/zinc/61/57/29/525615729.db2.gz VSEDBXSPLOPKSB-MYUZEXMDSA-N 0 0 447.579 5.010 50 0 IKAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)sc2ncnc(N3CCCCCC3)c12 ZINC000021115934 525616633 /nfs/dbraw/zinc/61/66/33/525616633.db2.gz KREKLWIRYIVZHS-UHFFFAOYSA-N 0 0 428.989 5.006 50 0 IKAARN Cc1c(C(=O)NCCc2ccccc2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490225 525616697 /nfs/dbraw/zinc/61/66/97/525616697.db2.gz XANVQQUORPVBJM-UHFFFAOYSA-N 0 0 445.950 5.224 50 0 IKAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078857 525616975 /nfs/dbraw/zinc/61/69/75/525616975.db2.gz GEESUWNMAZMLMR-UHFFFAOYSA-N 0 0 443.016 5.395 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(Cc2ccccc2C)C3=O)o1 ZINC000021526857 525618751 /nfs/dbraw/zinc/61/87/51/525618751.db2.gz YBHUMSVEHTVCAD-HHHXNRCGSA-N 0 0 447.579 5.105 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C3=O)o1 ZINC000021526774 525618821 /nfs/dbraw/zinc/61/88/21/525618821.db2.gz WOJUNESRUVEMBT-HHHXNRCGSA-N 0 0 447.579 5.105 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)c3csc(-c4cccc(OC)c4OC)n3)ccc2c1 ZINC000012861155 525625660 /nfs/dbraw/zinc/62/56/60/525625660.db2.gz UZAJZMRNFIOOBR-UHFFFAOYSA-N 0 0 448.544 5.261 50 0 IKAARN C[C@@H]1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1 ZINC000012565604 525627684 /nfs/dbraw/zinc/62/76/84/525627684.db2.gz DHIZINIRMKSOBY-NSHDSACASA-N 0 0 433.762 5.031 50 0 IKAARN Cc1c(C(=O)NCc2ccc(F)cc2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490150 525627952 /nfs/dbraw/zinc/62/79/52/525627952.db2.gz VWQYSQOMKPWLTB-UHFFFAOYSA-N 0 0 449.913 5.321 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2C)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490051 525629855 /nfs/dbraw/zinc/62/98/55/525629855.db2.gz GAYNFWTWZCRCMN-UHFFFAOYSA-N 0 0 425.532 5.145 50 0 IKAARN COc1ccc2cc(CNC(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)ccc2c1 ZINC000012540111 525631308 /nfs/dbraw/zinc/63/13/08/525631308.db2.gz IMKXPRJKWVINJS-JOCHJYFZSA-N 0 0 434.565 5.018 50 0 IKAARN Cc1ccc(S(=O)(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(C)c2C)cc1 ZINC000020285639 525631977 /nfs/dbraw/zinc/63/19/77/525631977.db2.gz SOHRUVAYBUJDPA-LCUIJRPUSA-N 0 0 437.948 6.077 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2ccc(F)cc2)cc1 ZINC000012419644 525633503 /nfs/dbraw/zinc/63/35/03/525633503.db2.gz IJFVTLKBWUCLLP-UHFFFAOYSA-N 0 0 428.510 5.296 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCc3ccccc3C2)cc1 ZINC000012419663 525634183 /nfs/dbraw/zinc/63/41/83/525634183.db2.gz YDVVWJPGQDQMME-UHFFFAOYSA-N 0 0 436.558 5.107 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490221 525652509 /nfs/dbraw/zinc/65/25/09/525652509.db2.gz CXVCXWBUISKREZ-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN Cc1c(C(=O)Nc2cc3c(cc2Cl)OCCO3)sc2nc(-c3ccco3)nc(C)c12 ZINC000012787365 525652777 /nfs/dbraw/zinc/65/27/77/525652777.db2.gz ONZVDFKAEYLCFP-UHFFFAOYSA-N 0 0 441.896 5.245 50 0 IKAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)cn2n1 ZINC000012441216 525654808 /nfs/dbraw/zinc/65/48/08/525654808.db2.gz BLKCZHNRSUVPMR-UHFFFAOYSA-N 0 0 427.291 5.272 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3c(F)cccc3Cl)sc2c1 ZINC000021660586 525657465 /nfs/dbraw/zinc/65/74/65/525657465.db2.gz ZJSOFTJWZRZNIB-LBPRGKRZSA-N 0 0 442.903 5.066 50 0 IKAARN Cc1c(C(=O)Nc2ccc(SCc3cccnc3)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000022991544 525658135 /nfs/dbraw/zinc/65/81/35/525658135.db2.gz QQLCMLSGUIYCKV-UHFFFAOYSA-N 0 0 446.601 6.125 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Br)ccc3O)oc2cc1C ZINC000022077459 525667038 /nfs/dbraw/zinc/66/70/38/525667038.db2.gz FSKLFJDJVGBCJC-UHFFFAOYSA-N 0 0 437.293 5.832 50 0 IKAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(CC(c1ccccc1)c1ccccc1)CO3 ZINC000020610398 525672938 /nfs/dbraw/zinc/67/29/38/525672938.db2.gz LPTYLJSDTZCXLB-UHFFFAOYSA-N 0 0 425.528 5.702 50 0 biogenic IKAARN Cc1cc2nc(COc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3C)cc(=O)n2o1 ZINC000035428440 525673622 /nfs/dbraw/zinc/67/36/22/525673622.db2.gz WZZUCJCIFNCOGW-UHFFFAOYSA-N 0 0 445.519 5.033 50 0 IKAARN COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccc3)sc2c1 ZINC000002438724 525673726 /nfs/dbraw/zinc/67/37/26/525673726.db2.gz BNBKPROVSZITHM-NRFANRHFSA-N 0 0 440.480 5.161 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)cc(=O)n2o1 ZINC000041089707 525675376 /nfs/dbraw/zinc/67/53/76/525675376.db2.gz TZCQSIDLJPYNJC-UHFFFAOYSA-N 0 0 440.912 5.186 50 0 IKAARN Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035681713 525675800 /nfs/dbraw/zinc/67/58/00/525675800.db2.gz JHWFNYODOMOQNH-UHFFFAOYSA-N 0 0 434.948 7.015 50 0 IKAARN Cc1c(C)n(C2CCCC2)c(NC(=O)c2ccccc2F)c1S(=O)(=O)c1ccccc1 ZINC000012409176 525681326 /nfs/dbraw/zinc/68/13/26/525681326.db2.gz UHKZLTGMQPANAQ-UHFFFAOYSA-N 0 0 440.540 5.444 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000020996407 525681526 /nfs/dbraw/zinc/68/15/26/525681526.db2.gz RGZYGGZBNFKBLI-UHFFFAOYSA-N 0 0 426.451 5.038 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4cccc(F)c4)c3c2c1 ZINC000020996494 525682525 /nfs/dbraw/zinc/68/25/25/525682525.db2.gz UCMZNMBIIFOCQE-UHFFFAOYSA-N 0 0 444.441 5.177 50 0 IKAARN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccccc4)cc3)nc2c1 ZINC000023410386 525682755 /nfs/dbraw/zinc/68/27/55/525682755.db2.gz ICKBYFAHFXKPCR-VGOFMYFVSA-N 0 0 429.501 5.030 50 0 IKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000012855339 525685374 /nfs/dbraw/zinc/68/53/74/525685374.db2.gz LJSMYRZDKQROKD-UHFFFAOYSA-N 0 0 428.536 5.892 50 0 IKAARN Cc1cc2oc(=O)cc(Cn3cnc4scc(-c5ccccc5)c4c3=O)c2cc1Cl ZINC000012906714 525689917 /nfs/dbraw/zinc/68/99/17/525689917.db2.gz XQESXIPWJRKSEC-UHFFFAOYSA-N 0 0 434.904 5.242 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccc(C)o2)c1 ZINC000009669318 525695851 /nfs/dbraw/zinc/69/58/51/525695851.db2.gz UZKPGEKGWBRZHI-MUUNZHRXSA-N 0 0 448.522 6.490 50 0 IKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000017102064 525698122 /nfs/dbraw/zinc/69/81/22/525698122.db2.gz AKAXVWZIKXIRMC-UHFFFAOYSA-N 0 0 438.449 6.301 50 0 IKAARN Cc1cc2sc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc2c(C)c1 ZINC000009543810 525702100 /nfs/dbraw/zinc/70/21/00/525702100.db2.gz KPNVFVVJQRQNLO-UHFFFAOYSA-N 0 0 441.600 5.394 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)nc3cc(-c4ccccc4)nn32)c1 ZINC000034832806 525702798 /nfs/dbraw/zinc/70/27/98/525702798.db2.gz LYPPEXXRWLWXGE-UHFFFAOYSA-N 0 0 438.462 5.463 50 0 IKAARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012535004 525708317 /nfs/dbraw/zinc/70/83/17/525708317.db2.gz ODLFGKBQTRKFHJ-OAHLLOKOSA-N 0 0 436.606 5.877 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1 ZINC000012249967 525713664 /nfs/dbraw/zinc/71/36/64/525713664.db2.gz ZKKINZBIBPQBKA-UHFFFAOYSA-N 0 0 449.579 7.082 50 0 IKAARN Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1 ZINC000012249981 525714863 /nfs/dbraw/zinc/71/48/63/525714863.db2.gz ZJOBLIFYXSUJNT-UHFFFAOYSA-N 0 0 439.540 6.675 50 0 IKAARN Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 ZINC000009660233 525717347 /nfs/dbraw/zinc/71/73/47/525717347.db2.gz WCKFWHFGLKBTJV-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN COc1cccc(-c2nc(COC(=O)CSc3ccc4c(c3)CCC4)cs2)c1OC ZINC000022536422 525724604 /nfs/dbraw/zinc/72/46/04/525724604.db2.gz PTHCBIQZTAJWCY-UHFFFAOYSA-N 0 0 441.574 5.152 50 0 IKAARN COc1cccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)c1 ZINC000012592877 525727027 /nfs/dbraw/zinc/72/70/27/525727027.db2.gz YDVFAWQUZNWOJN-UHFFFAOYSA-N 0 0 440.619 5.690 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)s1 ZINC000008396745 525728034 /nfs/dbraw/zinc/72/80/34/525728034.db2.gz RLVFPGYWHBPXLF-IHAPDJFTSA-N 0 0 430.617 6.606 50 0 IKAARN COc1cccc(-c2nc3ccc(C(=O)N[C@H](c4ccccc4)c4ccncc4)cc3o2)c1 ZINC000012306507 525730112 /nfs/dbraw/zinc/73/01/12/525730112.db2.gz OJADLCHMSLUOSN-RUZDIDTESA-N 0 0 435.483 5.418 50 0 IKAARN COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3Cl)o2)c1 ZINC000012371618 525730879 /nfs/dbraw/zinc/73/08/79/525730879.db2.gz OWBSFQKUYAVTJO-UHFFFAOYSA-N 0 0 440.286 5.971 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)nc3n2)cc1 ZINC000021660506 525731119 /nfs/dbraw/zinc/73/11/19/525731119.db2.gz KDMLUZVDSXOZKF-UHFFFAOYSA-N 0 0 431.805 5.024 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CCCC3)no2)c(C)c1 ZINC000036012359 525732720 /nfs/dbraw/zinc/73/27/20/525732720.db2.gz NTHFKVVWAJFKMS-UHFFFAOYSA-N 0 0 432.520 5.406 50 0 IKAARN COc1cccc(-c2noc(CCN(C(=O)c3ccccc3Cl)C3CCCCC3)n2)c1 ZINC000035537715 525736170 /nfs/dbraw/zinc/73/61/70/525736170.db2.gz KMSHOUSKERDGPH-UHFFFAOYSA-N 0 0 439.943 5.416 50 0 IKAARN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCC(C)CC4)cc3)o2)cc1Cl ZINC000012843019 525742816 /nfs/dbraw/zinc/74/28/16/525742816.db2.gz VVRMAZCDKCYAOR-ZRDIBKRKSA-N 0 0 434.967 6.797 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)o2)cc1C ZINC000012855176 525748014 /nfs/dbraw/zinc/74/80/14/525748014.db2.gz ITWIIFCTCKPVEI-UHFFFAOYSA-N 0 0 434.879 6.314 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)c(F)c4)no3)nn2)cc1C ZINC000032951367 525755175 /nfs/dbraw/zinc/75/51/75/525755175.db2.gz JUCBABCCPLAWFJ-UHFFFAOYSA-N 0 0 426.904 5.895 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000020902797 525759605 /nfs/dbraw/zinc/75/96/05/525759605.db2.gz WBYYVLJFPBSQMB-AREMUKBSSA-N 0 0 449.982 5.471 50 0 IKAARN COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccc3ccccc3c2)c2ccccc2)c1 ZINC000016050364 525761526 /nfs/dbraw/zinc/76/15/26/525761526.db2.gz VLTQPMSGLWMXQH-YZSQISJMSA-N 0 0 437.495 5.571 50 0 IKAARN COc1cccc(/C=C/C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1OC(F)F ZINC000012886299 525763821 /nfs/dbraw/zinc/76/38/21/525763821.db2.gz ZSYVLZUZFSCGPA-NTEUORMPSA-N 0 0 442.389 5.286 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000002978980 525764382 /nfs/dbraw/zinc/76/43/82/525764382.db2.gz PNWUXJCECYFQFW-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NC4CCCCCCC4)cc3NC2=O)c1 ZINC000020734363 525765532 /nfs/dbraw/zinc/76/55/32/525765532.db2.gz KHBXAFPMHFWMST-HZHRSRAPSA-N 0 0 436.577 5.623 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NCCC4=CCCCC4)cc3NC2=O)c1 ZINC000020734325 525766338 /nfs/dbraw/zinc/76/63/38/525766338.db2.gz CYBSUIBCRKDPCY-HZHRSRAPSA-N 0 0 434.561 5.401 50 0 IKAARN Cc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000012461979 525767648 /nfs/dbraw/zinc/76/76/48/525767648.db2.gz STLKZOSZONBKAD-UHFFFAOYSA-N 0 0 443.525 7.574 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cn1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000021869466 525769153 /nfs/dbraw/zinc/76/91/53/525769153.db2.gz DYKDIRINOWYMHO-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 ZINC000033258334 525769471 /nfs/dbraw/zinc/76/94/71/525769471.db2.gz FFLMYHXRMVWDPN-UHFFFAOYSA-N 0 0 439.947 5.176 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 ZINC000032950184 525769601 /nfs/dbraw/zinc/76/96/01/525769601.db2.gz HRZDWWUZCQVFCW-UHFFFAOYSA-N 0 0 425.964 5.461 50 0 IKAARN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000016447630 525775560 /nfs/dbraw/zinc/77/55/60/525775560.db2.gz ANICLQNKDDVCKC-UHFFFAOYSA-N 0 0 443.506 6.482 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538039 525776740 /nfs/dbraw/zinc/77/67/40/525776740.db2.gz MVCMHTNDFFBRCO-UHFFFAOYSA-N 0 0 433.939 6.276 50 0 IKAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000035461547 525778172 /nfs/dbraw/zinc/77/81/72/525778172.db2.gz KOGRDDRVYZBOKO-UHFFFAOYSA-N 0 0 439.584 5.903 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000012850900 525779315 /nfs/dbraw/zinc/77/93/15/525779315.db2.gz GUUVTSIIXBWRTG-HOCLYGCPSA-N 0 0 440.878 5.819 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000035325054 525782038 /nfs/dbraw/zinc/78/20/38/525782038.db2.gz QIWDMXKNKBCEMB-HXUWFJFHSA-N 0 0 445.569 6.264 50 0 IKAARN Cc1ccc(-c2csc3[nH]c(CSc4nnc(NCC(C)C)s4)nc(=O)c23)s1 ZINC000012818937 525785070 /nfs/dbraw/zinc/78/50/70/525785070.db2.gz NXXAAOHAKOFXAZ-UHFFFAOYSA-N 0 0 449.652 5.233 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4cc(=O)oc5cc(C)c(C)cc45)c(=O)c23)cc1 ZINC000012807997 525787509 /nfs/dbraw/zinc/78/75/09/525787509.db2.gz ACLHHMJPGZPQFL-UHFFFAOYSA-N 0 0 428.513 5.205 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4C)c(=O)c23)s1 ZINC000012747393 525788348 /nfs/dbraw/zinc/78/83/48/525788348.db2.gz NIHZOYXTYMIINL-UHFFFAOYSA-N 0 0 429.954 5.095 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)n[nH]2)cc1 ZINC000012600341 525790024 /nfs/dbraw/zinc/79/00/24/525790024.db2.gz DCXFSTPQAVKQCK-OAQYLSRUSA-N 0 0 442.544 5.039 50 0 IKAARN Cc1ccc(-c2nc(S[C@@H](CC(=O)NCc3ccccc3)c3ccccc3)n[nH]2)cc1 ZINC000012176551 525790067 /nfs/dbraw/zinc/79/00/67/525790067.db2.gz JODFCOMYUXBTIZ-QFIPXVFZSA-N 0 0 428.561 5.320 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1Cl ZINC000021855604 525791678 /nfs/dbraw/zinc/79/16/78/525791678.db2.gz HFUIOMZZXOELQS-SANMLTNESA-N 0 0 449.982 5.158 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000021855614 525791707 /nfs/dbraw/zinc/79/17/07/525791707.db2.gz DCHOLOREXHGXBQ-SANMLTNESA-N 0 0 449.982 5.158 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccc(F)cc2)c1 ZINC000036012521 525792034 /nfs/dbraw/zinc/79/20/34/525792034.db2.gz ATZJSIKPWSQYMA-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000021855567 525792307 /nfs/dbraw/zinc/79/23/07/525792307.db2.gz OHOXGXQKUAHMPE-SANMLTNESA-N 0 0 449.982 5.158 50 0 IKAARN COc1cccc(C(=O)N(Cc2nccn2Cc2ccc(Cl)cc2Cl)C2CC2)c1 ZINC000035979658 525792494 /nfs/dbraw/zinc/79/24/94/525792494.db2.gz CBPHPOPAWPUGFW-UHFFFAOYSA-N 0 0 430.335 5.052 50 0 IKAARN COc1cccc(C(=O)N(Cc2nccn2Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 ZINC000035979790 525793270 /nfs/dbraw/zinc/79/32/70/525793270.db2.gz ANUFOBJCGJUKKM-UHFFFAOYSA-N 0 0 432.351 5.298 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccccc1F ZINC000021527561 525793653 /nfs/dbraw/zinc/79/36/53/525793653.db2.gz XGAFLTBJNSQLGX-SANMLTNESA-N 0 0 433.527 5.039 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000021161521 525793750 /nfs/dbraw/zinc/79/37/50/525793750.db2.gz XQNUANABJMITBK-SANMLTNESA-N 0 0 449.982 5.553 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1F ZINC000021527605 525793762 /nfs/dbraw/zinc/79/37/62/525793762.db2.gz GYOXLFCMVKBVNC-MHZLTWQESA-N 0 0 447.554 5.034 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000021526441 525794675 /nfs/dbraw/zinc/79/46/75/525794675.db2.gz MSYNWXMUBSIHMU-DEOSSOPVSA-N 0 0 439.943 5.146 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1F ZINC000012462345 525796621 /nfs/dbraw/zinc/79/66/21/525796621.db2.gz SBIPUAACXNGQTR-UHFFFAOYSA-N 0 0 427.281 7.371 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000035927619 525803412 /nfs/dbraw/zinc/80/34/12/525803412.db2.gz HEKSGJGHZMKVSY-GYCJOSAFSA-N 0 0 442.600 6.314 50 0 IKAARN Cc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3Br)n2)cc1 ZINC000035528081 525805051 /nfs/dbraw/zinc/80/50/51/525805051.db2.gz WSBUSYVBYWYUPU-UHFFFAOYSA-N 0 0 428.355 5.254 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3N3CCOCC3)cs2)c(C)c1 ZINC000012606377 525806490 /nfs/dbraw/zinc/80/64/90/525806490.db2.gz RVLWKRSLAVUDJV-UHFFFAOYSA-N 0 0 441.984 5.098 50 0 IKAARN C[C@@]1(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc3c(c2)OCO3)CC1(Cl)Cl ZINC000012402159 525807777 /nfs/dbraw/zinc/80/77/77/525807777.db2.gz HKJBXKQXIMVZIW-KRWDZBQOSA-N 0 0 448.224 5.749 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)co2)c(C)c1 ZINC000023074609 525816070 /nfs/dbraw/zinc/81/60/70/525816070.db2.gz FGWODNQRXVTSAV-UHFFFAOYSA-N 0 0 446.363 5.530 50 0 IKAARN Cc1ccc(-c2nc(OC(C)C)nn2-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000037385475 525818057 /nfs/dbraw/zinc/81/80/57/525818057.db2.gz VIYVOQSLWCQHNV-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN Cc1ccsc1C(=O)N(Cc1ccncc1)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000015071639 525818154 /nfs/dbraw/zinc/81/81/54/525818154.db2.gz VOYAWCNCWLQLSO-UHFFFAOYSA-N 0 0 446.547 6.012 50 0 IKAARN Cc1c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000016249149 525823446 /nfs/dbraw/zinc/82/34/46/525823446.db2.gz FPAOOKXQHRNMCI-OQKWZONESA-N 0 0 443.934 5.317 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000032950939 525824236 /nfs/dbraw/zinc/82/42/36/525824236.db2.gz GQCSJVGJPBRJMT-UHFFFAOYSA-N 0 0 438.453 5.852 50 0 IKAARN Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3F)s2)c(=O)n(-c2ccccc2)n1C ZINC000012907939 525825229 /nfs/dbraw/zinc/82/52/29/525825229.db2.gz NEHNUQXJCOFQSD-FYWRMAATSA-N 0 0 433.508 5.004 50 0 IKAARN Cc1ccc(-c2ncc3c(ncnc3SCC(=O)Nc3cccc(C(C)C)c3)n2)cc1 ZINC000033300947 525833872 /nfs/dbraw/zinc/83/38/72/525833872.db2.gz OFFKGONQBOJLFS-UHFFFAOYSA-N 0 0 429.549 5.249 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)n2)cc1 ZINC000035502517 525835956 /nfs/dbraw/zinc/83/59/56/525835956.db2.gz SAEXMQWWWTWWNK-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccccc3C(C)C)c2)c1 ZINC000034797036 525836020 /nfs/dbraw/zinc/83/60/20/525836020.db2.gz FRPOFSUESSICFS-AREMUKBSSA-N 0 0 446.572 5.850 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)c1 ZINC000035928634 525836399 /nfs/dbraw/zinc/83/63/99/525836399.db2.gz MAHKFGDJDSBMMH-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000021017643 525837630 /nfs/dbraw/zinc/83/76/30/525837630.db2.gz QTSWWEIEMZFROH-UHFFFAOYSA-N 0 0 427.891 6.240 50 0 IKAARN Cc1ccsc1CN(C)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S ZINC000012543845 525840090 /nfs/dbraw/zinc/84/00/90/525840090.db2.gz FASJPRDDMVTNLP-UHFFFAOYSA-N 0 0 425.558 5.064 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 ZINC000012850814 525844294 /nfs/dbraw/zinc/84/42/94/525844294.db2.gz HIFMEZWRVWHWBI-UAOJZALGSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 ZINC000012850806 525853047 /nfs/dbraw/zinc/85/30/47/525853047.db2.gz HIFMEZWRVWHWBI-VOBQZIQPSA-N 0 0 444.457 5.157 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)c1 ZINC000012195660 525858353 /nfs/dbraw/zinc/85/83/53/525858353.db2.gz ZRJVQQDBLOTKDL-ISKFKSNPSA-N 0 0 436.964 6.313 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000021147617 525858694 /nfs/dbraw/zinc/85/86/94/525858694.db2.gz ZMEQEDKSLYFYKI-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000012764405 525861647 /nfs/dbraw/zinc/86/16/47/525861647.db2.gz QHMAQIPXRUSLHA-UHFFFAOYSA-N 0 0 435.578 5.417 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021536647 525867314 /nfs/dbraw/zinc/86/73/14/525867314.db2.gz BYGOZJIKZNAAPI-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ncccc2o1 ZINC000001175044 525867495 /nfs/dbraw/zinc/86/74/95/525867495.db2.gz RLDWAXWRJDDCHR-UHFFFAOYSA-N 0 0 428.473 5.071 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000021879828 525868100 /nfs/dbraw/zinc/86/81/00/525868100.db2.gz YGKSMQNKLJXLJC-AREMUKBSSA-N 0 0 439.515 5.427 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021536653 525868354 /nfs/dbraw/zinc/86/83/54/525868354.db2.gz RUSVJGACMXPIAJ-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCCC(C)C)CCCC4)cc1 ZINC000021539433 525868445 /nfs/dbraw/zinc/86/84/45/525868445.db2.gz KOMTWMKUTKQWOP-RUZDIDTESA-N 0 0 447.648 6.387 50 0 IKAARN Cc1ccc(-c2noc(C3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000035671826 525875445 /nfs/dbraw/zinc/87/54/45/525875445.db2.gz DXKLGOGLSXMJGK-UHFFFAOYSA-N 0 0 437.543 5.583 50 0 IKAARN Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)n2)cc1 ZINC000012917780 525882401 /nfs/dbraw/zinc/88/24/01/525882401.db2.gz XJFGPKGVZGFOKL-UHFFFAOYSA-N 0 0 428.517 5.149 50 0 IKAARN Cc1ccc(-c2nsc(NC(=O)c3oc4cc(Br)ccc4c3C)n2)s1 ZINC000021806069 525887997 /nfs/dbraw/zinc/88/79/97/525887997.db2.gz RUTFBMLDJFEHJK-UHFFFAOYSA-N 0 0 434.340 5.644 50 0 IKAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012541014 525888398 /nfs/dbraw/zinc/88/83/98/525888398.db2.gz ZZPFNMRNVNVKON-ZCZKMIILSA-N 0 0 444.531 5.125 50 0 IKAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)C(=O)Nc1ccc2ccccc2c1 ZINC000012639141 525892558 /nfs/dbraw/zinc/89/25/58/525892558.db2.gz QDNGRIIVMYIZDU-GOSISDBHSA-N 0 0 438.527 5.841 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2ccc(F)cc2)c(Br)c1 ZINC000020662613 525894028 /nfs/dbraw/zinc/89/40/28/525894028.db2.gz YFQGEGUDRKSNLB-LCYFTJDESA-N 0 0 435.296 5.766 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)OCc3ccccc3)nnc2-c2ccccc2F)cc1 ZINC000035847829 525901606 /nfs/dbraw/zinc/90/16/06/525901606.db2.gz XFOXYZYSEPOJJF-UHFFFAOYSA-N 0 0 433.508 5.217 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCCC2)cc1 ZINC000035847418 525902315 /nfs/dbraw/zinc/90/23/15/525902315.db2.gz CWFLZWDJAHBBED-UHFFFAOYSA-N 0 0 432.420 7.223 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4ccc(Cl)cc4)n(C)c(=O)c3sc2=S)cc1 ZINC000032952652 525903007 /nfs/dbraw/zinc/90/30/07/525903007.db2.gz CNFPGNMEJDMICV-UHFFFAOYSA-N 0 0 446.022 5.769 50 0 IKAARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000012311456 525903565 /nfs/dbraw/zinc/90/35/65/525903565.db2.gz ZHPOJFRYQBZKDM-UHFFFAOYSA-N 0 0 425.916 5.857 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010531 525912121 /nfs/dbraw/zinc/91/21/21/525912121.db2.gz VXTSPTJWHZNNRV-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN C[C@@]12[C@@H]3c4cccc5cccc(c45)[C@@H]3N([C@@H]3c4cccc5cccc(c45)[C@@H]31)N2c1ccccc1 ZINC000252427841 525917680 /nfs/dbraw/zinc/91/76/80/525917680.db2.gz IDPUIWYSFAENMW-LLCOJLFPSA-N 0 0 436.558 7.479 50 0 IKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CCc1ccc(Cl)cc1Cl)CO2 ZINC000020502993 525932131 /nfs/dbraw/zinc/93/21/31/525932131.db2.gz RMZSTKQQYDXHFA-UHFFFAOYSA-N 0 0 430.331 5.292 50 0 IKAARN Cc1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1Cl ZINC000022520026 525932704 /nfs/dbraw/zinc/93/27/04/525932704.db2.gz LGRUDJMEEWILOD-UHFFFAOYSA-N 0 0 442.950 5.554 50 0 IKAARN Cc1c2c(n(Cc3cccc(C)c3)c1C(=O)N1CCN(c3ccccc3F)CC1)CCCC2 ZINC000035837031 525934333 /nfs/dbraw/zinc/93/43/33/525934333.db2.gz ASWMYZADHHRZTM-UHFFFAOYSA-N 0 0 445.582 5.134 50 0 IKAARN C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012531643 525934749 /nfs/dbraw/zinc/93/47/49/525934749.db2.gz RLHWXMVLBQTVLW-OAQYLSRUSA-N 0 0 435.523 6.582 50 0 IKAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3cccc(Cl)c3)cc2=O)s1 ZINC000021535976 525941089 /nfs/dbraw/zinc/94/10/89/525941089.db2.gz AZWKBSPBOLBNHC-UHFFFAOYSA-N 0 0 441.965 5.262 50 0 IKAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3ccccc3Cl)cc2=O)s1 ZINC000021535931 525941344 /nfs/dbraw/zinc/94/13/44/525941344.db2.gz GLBKRBBCAIGWAY-UHFFFAOYSA-N 0 0 441.965 5.262 50 0 IKAARN CSc1ccc(-c2nc(CSCC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000020241219 525946495 /nfs/dbraw/zinc/94/64/95/525946495.db2.gz HHTDSPDWPFFJRM-UHFFFAOYSA-N 0 0 447.025 5.617 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(CCc1ccccc1)C3 ZINC000020610204 525961011 /nfs/dbraw/zinc/96/10/11/525961011.db2.gz YCQCQEFCFMNFOT-UHFFFAOYSA-N 0 0 425.528 5.395 50 0 biogenic IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN([C@@H](C)c1ccccc1)C3 ZINC000020610349 525961242 /nfs/dbraw/zinc/96/12/42/525961242.db2.gz AUYLVDVNNTYPBM-FQEVSTJZSA-N 0 0 425.528 5.914 50 0 biogenic IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(C[C@H](C)c1ccccc1)CO3 ZINC000020609933 525965043 /nfs/dbraw/zinc/96/50/43/525965043.db2.gz NWABIRLEKXCORB-IBGZPJMESA-N 0 0 425.528 5.648 50 0 biogenic IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000021600955 525967785 /nfs/dbraw/zinc/96/77/85/525967785.db2.gz SRUJNDCXNMMMKZ-OAQYLSRUSA-N 0 0 429.907 5.801 50 0 IKAARN Cc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000012803356 525968807 /nfs/dbraw/zinc/96/88/07/525968807.db2.gz AVPIZWUSMODFHM-VWLOTQADSA-N 0 0 447.604 5.047 50 0 IKAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000012767947 525971620 /nfs/dbraw/zinc/97/16/20/525971620.db2.gz SBKNXHNRFJSJOB-UHFFFAOYSA-N 0 0 438.890 5.771 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2nccs2)cc1 ZINC000020616534 525972435 /nfs/dbraw/zinc/97/24/35/525972435.db2.gz GYKWSFHJTPGKRG-NMWGTECJSA-N 0 0 440.322 5.445 50 0 IKAARN C[C@H](SCCOc1ccccc1F)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012689342 525976274 /nfs/dbraw/zinc/97/62/74/525976274.db2.gz WMSAJAKSXCFCQW-LBPRGKRZSA-N 0 0 432.567 5.725 50 0 IKAARN COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000021656875 525977904 /nfs/dbraw/zinc/97/79/04/525977904.db2.gz MEVQQPKWRIOEGS-UHFFFAOYSA-N 0 0 437.952 5.257 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000021893485 525983692 /nfs/dbraw/zinc/98/36/92/525983692.db2.gz HLDIXOZKHPJLLA-MHZLTWQESA-N 0 0 437.543 5.609 50 0 IKAARN Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)C3)n1 ZINC000012097471 525984332 /nfs/dbraw/zinc/98/43/32/525984332.db2.gz GKLZZWNQXVHXEV-DEOSSOPVSA-N 0 0 449.554 5.012 50 0 IKAARN CSc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000020516806 525984619 /nfs/dbraw/zinc/98/46/19/525984619.db2.gz ABCPUQGZPZQZBH-UHFFFAOYSA-N 0 0 430.577 5.040 50 0 IKAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000020866781 525992159 /nfs/dbraw/zinc/99/21/59/525992159.db2.gz QELIAWBNXNIUTN-UHFFFAOYSA-N 0 0 442.563 5.346 50 0 IKAARN CSc1ccc(CNC(=O)CSc2cc(Oc3cc(C)cc(C)c3)ncn2)cc1 ZINC000021657611 525995472 /nfs/dbraw/zinc/99/54/72/525995472.db2.gz HORAIJIAENEUMN-UHFFFAOYSA-N 0 0 425.579 5.016 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(C)cc4)nn3)cc2)cc1 ZINC000032995673 525999667 /nfs/dbraw/zinc/99/96/67/525999667.db2.gz IJYNBZINWNBTGR-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1c(F)cccc1F ZINC000018434726 526001409 /nfs/dbraw/zinc/00/14/09/526001409.db2.gz AHQSKICEIYSQRH-LLVKDONJSA-N 0 0 447.557 6.264 50 0 IKAARN COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1 ZINC000021658287 526002597 /nfs/dbraw/zinc/00/25/97/526002597.db2.gz SCMBKOPCEFKNDP-UHFFFAOYSA-N 0 0 447.922 5.321 50 0 IKAARN C[C@H](Sc1nc2cc(C(F)(F)F)ccc2n1C1CC1)C(=O)c1ccc2c(c1)CCC2 ZINC000012364898 526002729 /nfs/dbraw/zinc/00/27/29/526002729.db2.gz MJLPKRYQFWXKAO-ZDUSSCGKSA-N 0 0 430.495 6.242 50 0 IKAARN C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000012546474 526002979 /nfs/dbraw/zinc/00/29/79/526002979.db2.gz VKRIDSWXQSREQD-KRWDZBQOSA-N 0 0 447.991 5.808 50 0 IKAARN COc1cccc(CNC(=O)c2cc3c(-c4cccs4)nn(-c4ccccc4)c3n2C)c1 ZINC000033277427 526003301 /nfs/dbraw/zinc/00/33/01/526003301.db2.gz PARGHMWIFNLGOH-UHFFFAOYSA-N 0 0 442.544 5.031 50 0 IKAARN COc1cccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2ccc(Cl)cc2)c1 ZINC000021361814 526003565 /nfs/dbraw/zinc/00/35/65/526003565.db2.gz FASUMLXLBZELIP-UHFFFAOYSA-N 0 0 433.895 5.012 50 0 IKAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1nnc(-c2cccs2)o1 ZINC000012573549 526004774 /nfs/dbraw/zinc/00/47/74/526004774.db2.gz ISDMZGTXKYBWGO-JTQLQIEISA-N 0 0 433.356 5.804 50 0 IKAARN C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000012762205 526005062 /nfs/dbraw/zinc/00/50/62/526005062.db2.gz FCHQOTCGFGWSGY-CYBMUJFWSA-N 0 0 435.496 5.766 50 0 IKAARN C[C@@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000020882544 526006947 /nfs/dbraw/zinc/00/69/47/526006947.db2.gz LBFKGZGDTMRTFY-CYBMUJFWSA-N 0 0 435.530 5.206 50 0 IKAARN COc1cccc(CNC(=O)c2cccc(NC(=O)N3CCCCc4ccccc43)c2)c1 ZINC000020988190 526007445 /nfs/dbraw/zinc/00/74/45/526007445.db2.gz IUGCBXFQBHOSST-UHFFFAOYSA-N 0 0 429.520 5.000 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012679089 526008809 /nfs/dbraw/zinc/00/88/09/526008809.db2.gz FJMGQZDXKLUFSA-SNVBAGLBSA-N 0 0 439.393 5.768 50 0 IKAARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012569372 526008748 /nfs/dbraw/zinc/00/87/48/526008748.db2.gz GLFJZZLVDNZKNI-JTQLQIEISA-N 0 0 442.418 6.089 50 0 IKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000009789032 526008915 /nfs/dbraw/zinc/00/89/15/526008915.db2.gz LTHIHCXYTQSMSR-HNNXBMFYSA-N 0 0 443.576 5.369 50 0 IKAARN CSc1ccc(Cl)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000035302148 526012278 /nfs/dbraw/zinc/01/22/78/526012278.db2.gz GZHCTLGKLGZPTK-UHFFFAOYSA-N 0 0 437.008 5.609 50 0 IKAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1nc(C(C)(C)C)no1 ZINC000024047797 526012867 /nfs/dbraw/zinc/01/28/67/526012867.db2.gz QCLHULVICYLIFG-CYBMUJFWSA-N 0 0 432.981 5.055 50 0 IKAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000017983718 526014829 /nfs/dbraw/zinc/01/48/29/526014829.db2.gz ZYLIZKWIAHXHFL-ZDUSSCGKSA-N 0 0 444.582 5.091 50 0 IKAARN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000012554255 526015293 /nfs/dbraw/zinc/01/52/93/526015293.db2.gz JNOUMFJSCLPXCS-ZIAGYGMSSA-N 0 0 432.952 5.046 50 0 IKAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000012557987 526015233 /nfs/dbraw/zinc/01/52/33/526015233.db2.gz AELIIVQRFVIIDR-KBPBESRZSA-N 0 0 432.952 5.046 50 0 IKAARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4)cccn3c2=O)nn1-c1cccc(C)c1 ZINC000035911446 526037117 /nfs/dbraw/zinc/03/71/17/526037117.db2.gz DUWQYZYOOAJRDR-UHFFFAOYSA-N 0 0 436.515 5.051 50 0 IKAARN Cc1cc(-c2cc(C(=O)N(C)c3nc4ccccc4s3)c3c(C)noc3n2)c(C)s1 ZINC000012853286 526037348 /nfs/dbraw/zinc/03/73/48/526037348.db2.gz BWUPXNHTMRGLIU-UHFFFAOYSA-N 0 0 434.546 5.763 50 0 IKAARN Cc1ccc([C@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1 ZINC000021523663 526045408 /nfs/dbraw/zinc/04/54/08/526045408.db2.gz NFLVHFFUYCPJCU-HSZRJFAPSA-N 0 0 441.560 5.029 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015725282 526046259 /nfs/dbraw/zinc/04/62/59/526046259.db2.gz OEZHNLGQDOZYEY-SANMLTNESA-N 0 0 443.978 6.926 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021536581 526048370 /nfs/dbraw/zinc/04/83/70/526048370.db2.gz FQCHBFFAAISVKS-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000021536643 526048780 /nfs/dbraw/zinc/04/87/80/526048780.db2.gz DEZANXAITVNHLI-SANMLTNESA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000021892744 526049437 /nfs/dbraw/zinc/04/94/37/526049437.db2.gz JCMUAPCTSDBGKM-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033115637 526049448 /nfs/dbraw/zinc/04/94/48/526049448.db2.gz LTRYDZJTGDBSQO-VWLOTQADSA-N 0 0 448.975 5.733 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000012858686 526055617 /nfs/dbraw/zinc/05/56/17/526055617.db2.gz UPILEDGNPXXUBB-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000012885627 526060407 /nfs/dbraw/zinc/06/04/07/526060407.db2.gz IUZFBPIVRNEGLQ-SFKKXYGYSA-N 0 0 443.565 5.191 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)Nc4ccc(F)cc4)cs3)cc2)c1 ZINC000035895326 526061218 /nfs/dbraw/zinc/06/12/18/526061218.db2.gz VIMVEWCIPAZLCY-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000021715602 526064342 /nfs/dbraw/zinc/06/43/42/526064342.db2.gz TXOBJJPYXLSJNO-RUZDIDTESA-N 0 0 442.540 5.406 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCc2cccs2)cc1 ZINC000012701209 526065819 /nfs/dbraw/zinc/06/58/19/526065819.db2.gz SYGCDPOPYMMADT-AREMUKBSSA-N 0 0 446.641 6.448 50 0 IKAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2cc(Cl)ccc2Cl)c1 ZINC000035911033 526068694 /nfs/dbraw/zinc/06/86/94/526068694.db2.gz OSWSPBPLEJRGHN-UHFFFAOYSA-N 0 0 443.355 5.993 50 0 IKAARN Cc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)CC(C)C)cc1 ZINC000035767669 526069708 /nfs/dbraw/zinc/06/97/08/526069708.db2.gz NJHWJTCFPVVTAI-UHFFFAOYSA-N 0 0 436.527 5.054 50 0 IKAARN Cc1ccc(C(=O)N(CCNC(=O)c2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1 ZINC000035689475 526071346 /nfs/dbraw/zinc/07/13/46/526071346.db2.gz JZUYIZGVPUAUAZ-UHFFFAOYSA-N 0 0 445.321 5.518 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(N(C)C)cc3)no2)C2CCCCC2)cc1 ZINC000035537887 526073633 /nfs/dbraw/zinc/07/36/33/526073633.db2.gz WGDLZLKIRJGHHB-UHFFFAOYSA-N 0 0 432.568 5.129 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(OCCc3cccs3)c2)C[C@@H]2CCCO2)cc1 ZINC000012150309 526073926 /nfs/dbraw/zinc/07/39/26/526073926.db2.gz LXYHWANCECLHIM-DEOSSOPVSA-N 0 0 435.589 5.499 50 0 IKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000012910689 526074296 /nfs/dbraw/zinc/07/42/96/526074296.db2.gz JCUNTIYPDUOFSQ-FQEVSTJZSA-N 0 0 438.531 5.017 50 0 IKAARN Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1NC(=O)c1ccco1 ZINC000012789562 526075428 /nfs/dbraw/zinc/07/54/28/526075428.db2.gz LYMBXWHEXUBWJA-UHFFFAOYSA-N 0 0 438.527 5.725 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCc3ccccn3)cc2)cc1 ZINC000034675934 526076077 /nfs/dbraw/zinc/07/60/77/526076077.db2.gz LDLDEMLJMLTQET-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2ccc(Cl)cc2Cl)CC(C)C)cc1 ZINC000035979607 526076983 /nfs/dbraw/zinc/07/69/83/526076983.db2.gz QONSDBUKDAOYSO-UHFFFAOYSA-N 0 0 430.379 5.845 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccncc2)Cc2ccc(OCc3cccc(F)c3)cc2)s1 ZINC000012243096 526077270 /nfs/dbraw/zinc/07/72/70/526077270.db2.gz COYPYTATMCHKJL-UHFFFAOYSA-N 0 0 446.547 6.012 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561637 526078489 /nfs/dbraw/zinc/07/84/89/526078489.db2.gz ARYRJVRHRUXSRY-SQJMNOBHSA-N 0 0 430.529 5.422 50 0 IKAARN COc1cccc(Cc2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C)no2)c1 ZINC000035453758 526085505 /nfs/dbraw/zinc/08/55/05/526085505.db2.gz BHOVORGFBALNNY-UHFFFAOYSA-N 0 0 429.501 5.077 50 0 IKAARN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(N(C)C)cc4)ccc3o2)cc1 ZINC000034908285 526107561 /nfs/dbraw/zinc/10/75/61/526107561.db2.gz ONCAGLQCHPAYDX-DEOSSOPVSA-N 0 0 425.532 5.847 50 0 IKAARN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020737189 526115408 /nfs/dbraw/zinc/11/54/08/526115408.db2.gz BBSLLIRKNWLBQQ-HHHXNRCGSA-N 0 0 439.559 5.009 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)c1 ZINC000032959126 526116950 /nfs/dbraw/zinc/11/69/50/526116950.db2.gz ZACMUVAQKGPLKD-UHFFFAOYSA-N 0 0 435.936 5.281 50 0 IKAARN CSc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000021879899 526122340 /nfs/dbraw/zinc/12/23/40/526122340.db2.gz YBUUCVSMTPJFHJ-XMMPIXPASA-N 0 0 431.536 6.209 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1 ZINC000021891578 526123280 /nfs/dbraw/zinc/12/32/80/526123280.db2.gz DLTMMWVNWTWCDW-HSZRJFAPSA-N 0 0 431.586 6.398 50 0 IKAARN CSc1cccc2sc(N3CCN(C(=O)Cc4cccc5ccccc54)CC3)nc21 ZINC000012494033 526145485 /nfs/dbraw/zinc/14/54/85/526145485.db2.gz CLGQIHBKTDYMCW-UHFFFAOYSA-N 0 0 433.602 5.063 50 0 IKAARN CSc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012718436 526146981 /nfs/dbraw/zinc/14/69/81/526146981.db2.gz YPRCPSSHUSRVGZ-FQEVSTJZSA-N 0 0 444.600 5.358 50 0 IKAARN CSc1ccccc1C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023461970 526147406 /nfs/dbraw/zinc/14/74/06/526147406.db2.gz LHTDTTCPVABSTI-UHFFFAOYSA-N 0 0 445.563 6.042 50 0 IKAARN Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000012137131 526158705 /nfs/dbraw/zinc/15/87/05/526158705.db2.gz LSPXOCUVNCCXLQ-OXJNMPFZSA-N 0 0 448.357 5.030 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000012919384 526168461 /nfs/dbraw/zinc/16/84/61/526168461.db2.gz FPXJQOTZFUPRAH-FQEVSTJZSA-N 0 0 447.423 5.467 50 0 IKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)CSCc3ccc(F)cc3)CC1)c1cccn1-2 ZINC000035399454 526172256 /nfs/dbraw/zinc/17/22/56/526172256.db2.gz KZESKSKIRAJUMO-UHFFFAOYSA-N 0 0 435.568 5.101 50 0 biogenic IKAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC1)c1cccn1-2 ZINC000035399270 526172637 /nfs/dbraw/zinc/17/26/37/526172637.db2.gz LDIOZBNQWPBGNK-UHFFFAOYSA-N 0 0 449.620 5.189 50 0 biogenic IKAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012797285 526177463 /nfs/dbraw/zinc/17/74/63/526177463.db2.gz JKOSSRJUGPXJQP-LBPRGKRZSA-N 0 0 433.455 5.456 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccccc3F)[C@@H](C)C1)=N2 ZINC000034812775 526178371 /nfs/dbraw/zinc/17/83/71/526178371.db2.gz NBAVTPCPVASPTI-SFHVURJKSA-N 0 0 429.495 5.165 50 0 IKAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccc(F)cc4c32)c1 ZINC000020996474 526184240 /nfs/dbraw/zinc/18/42/40/526184240.db2.gz GFFZOKIMGLIKGM-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000015725037 526189342 /nfs/dbraw/zinc/18/93/42/526189342.db2.gz JCOZGAPDQRRLDK-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)c1 ZINC000021892290 526189892 /nfs/dbraw/zinc/18/98/92/526189892.db2.gz AAGWBYCHPVEFEO-VWLOTQADSA-N 0 0 445.469 5.901 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(C)cc2)c1 ZINC000015725194 526189929 /nfs/dbraw/zinc/18/99/29/526189929.db2.gz RSEPUJNYDOIDBS-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000021893532 526190144 /nfs/dbraw/zinc/19/01/44/526190144.db2.gz NNAXTSVMKBSNNX-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1cccc(NC(=O)Nc2cccc(N3CCCN(Cc4ccccc4F)C3=O)c2)c1 ZINC000034737171 526195075 /nfs/dbraw/zinc/19/50/75/526195075.db2.gz XMJUOYOFQBOWFN-UHFFFAOYSA-N 0 0 448.498 5.311 50 0 IKAARN COc1cccc(NC(=O)[C@@H](Sc2ncnc3sc4c(c32)CCC4)c2ccccc2)c1 ZINC000012565413 526196961 /nfs/dbraw/zinc/19/69/61/526196961.db2.gz FDHGROAFSGRUEJ-NRFANRHFSA-N 0 0 447.585 5.661 50 0 IKAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000012811309 526199922 /nfs/dbraw/zinc/19/99/22/526199922.db2.gz HQRGVXJEBXMEEN-SBUREZEXSA-N 0 0 431.561 5.678 50 0 IKAARN COc1cccc(NC(=O)c2cccc(N3CCCN(Cc4cccc(C)c4)C3=O)c2)c1 ZINC000035180944 526202134 /nfs/dbraw/zinc/20/21/34/526202134.db2.gz LEMHBNDWADCYHH-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1cccc(NC(=O)c2sc(-c3cccc(OC)c3OC)nc2-c2ccccc2)c1 ZINC000021474218 526206218 /nfs/dbraw/zinc/20/62/18/526206218.db2.gz BAVJWUKIOWJCHM-UHFFFAOYSA-N 0 0 446.528 5.755 50 0 IKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)OCc1nc2ccccc2n1C(F)F ZINC000012559836 526207888 /nfs/dbraw/zinc/20/78/88/526207888.db2.gz FFKMBGGAWGFEDO-UHFFFAOYSA-N 0 0 446.504 5.337 50 0 IKAARN Cc1cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c(C)n1C[C@@H]1CCCO1 ZINC000012531638 526212503 /nfs/dbraw/zinc/21/25/03/526212503.db2.gz UHBZMUNUYAATGA-INIZCTEOSA-N 0 0 447.362 5.709 50 0 IKAARN COc1cccc(Nc2nn(CN(Cc3cccs3)C[C@H]3CCCO3)c(=S)s2)c1 ZINC000012557545 526213202 /nfs/dbraw/zinc/21/32/02/526213202.db2.gz LSUUZBZHFUODPC-QGZVFWFLSA-N 0 0 448.639 5.126 50 0 IKAARN Cc1cc(C(=O)CSC(=S)N2CCCC2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000016043889 526213391 /nfs/dbraw/zinc/21/33/91/526213391.db2.gz APHCWIMVHHWDIS-UHFFFAOYSA-N 0 0 448.657 6.039 50 0 IKAARN COc1cccc(Nc2nn(CN(Cc3cccs3)C[C@@H]3CCCO3)c(=S)s2)c1 ZINC000012557544 526213534 /nfs/dbraw/zinc/21/35/34/526213534.db2.gz LSUUZBZHFUODPC-KRWDZBQOSA-N 0 0 448.639 5.126 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)n1Cc1ccc(F)cc1 ZINC000021464444 526214306 /nfs/dbraw/zinc/21/43/06/526214306.db2.gz CNMYMKIWLGXKHR-UHFFFAOYSA-N 0 0 425.485 5.219 50 0 IKAARN Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)c(C)n1C1CC1 ZINC000021371571 526214531 /nfs/dbraw/zinc/21/45/31/526214531.db2.gz UGGRPLPOTXYJQY-UHFFFAOYSA-N 0 0 429.973 5.359 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1F ZINC000035400799 526216438 /nfs/dbraw/zinc/21/64/38/526216438.db2.gz DHIWEWUAENDGMZ-IBGZPJMESA-N 0 0 425.507 5.651 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@H](C)c3ccccc3)c(=O)c1n2Cc1cc(C)ccc1C ZINC000035400824 526216754 /nfs/dbraw/zinc/21/67/54/526216754.db2.gz JFYKTCGZIMBDOZ-QFIPXVFZSA-N 0 0 435.571 6.128 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1ccccc1C ZINC000035400842 526217973 /nfs/dbraw/zinc/21/79/73/526217973.db2.gz YKJNWUHFTRCKHG-UHFFFAOYSA-N 0 0 427.935 5.718 50 0 IKAARN Cc1ccc2c(c1)c1ncn([C@@H](C)c3ccccc3)c(=O)c1n2Cc1c(F)cccc1Cl ZINC000035400697 526218186 /nfs/dbraw/zinc/21/81/86/526218186.db2.gz RNJFAFAKOMCJHC-KRWDZBQOSA-N 0 0 445.925 6.110 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OCC(C)C)nc3-c3ccc(F)cc3)cc2)cc1 ZINC000037385413 526219308 /nfs/dbraw/zinc/21/93/08/526219308.db2.gz PGJGFRLPFNHRQT-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cccc(F)c3)c2)cc1 ZINC000033009389 526221429 /nfs/dbraw/zinc/22/14/29/526221429.db2.gz HUBRRMYOMAKNMA-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)cc2)cc1 ZINC000035910389 526223226 /nfs/dbraw/zinc/22/32/26/526223226.db2.gz HDVDGITUQFRTKU-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccc(F)c3)c2)cc1 ZINC000037385454 526223739 /nfs/dbraw/zinc/22/37/39/526223739.db2.gz GOZWDDCZTRLZFK-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN C[C@H](CC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000023454324 526224759 /nfs/dbraw/zinc/22/47/59/526224759.db2.gz WRIXKERESNFVCP-HXUWFJFHSA-N 0 0 441.550 6.200 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)cc1 ZINC000035910433 526224859 /nfs/dbraw/zinc/22/48/59/526224859.db2.gz BGTCGWCCWBLWMN-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN C[C@H](CC(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1)CC(C)(C)C ZINC000022642388 526225095 /nfs/dbraw/zinc/22/50/95/526225095.db2.gz DCWWJFFKUDWABH-OAHLLOKOSA-N 0 0 437.506 5.924 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)cc1 ZINC000035928486 526225674 /nfs/dbraw/zinc/22/56/74/526225674.db2.gz GOCOMTWYQDJKNM-RUZDIDTESA-N 0 0 431.561 5.092 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)c(-c3cccs3)nc2c1 ZINC000012218804 526229429 /nfs/dbraw/zinc/22/94/29/526229429.db2.gz OCJJZBFYCQZDKB-UHFFFAOYSA-N 0 0 442.540 5.805 50 0 IKAARN Cc1ccc2cc(COC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c(Cl)nc2c1 ZINC000014704506 526232498 /nfs/dbraw/zinc/23/24/98/526232498.db2.gz WQFCYNQISIZELA-UHFFFAOYSA-N 0 0 431.106 5.491 50 0 IKAARN CSc1sc(C(=O)Sc2ccccc2)c2c1S(=O)(=O)N(C)c1ccccc1-2 ZINC000001038167 526234271 /nfs/dbraw/zinc/23/42/71/526234271.db2.gz IYKRUYRPIQNVTG-UHFFFAOYSA-N 0 0 433.601 5.208 50 0 IKAARN COc1cccc(OCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000021168484 526237123 /nfs/dbraw/zinc/23/71/23/526237123.db2.gz CABKQZLZVCEUHS-UHFFFAOYSA-N 0 0 429.520 5.066 50 0 IKAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3cccc(Cl)c3)cc(O)c2C(=O)O1 ZINC000012863286 526237427 /nfs/dbraw/zinc/23/74/27/526237427.db2.gz VICPTRLCPQKYPX-KQEHZQRSSA-N 0 0 442.939 6.106 50 0 IKAARN COc1cccc(Oc2c(CN(C(=O)NC(C)(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000035973117 526239726 /nfs/dbraw/zinc/23/97/26/526239726.db2.gz MDHUCQBPPYVYNE-UHFFFAOYSA-N 0 0 448.567 5.454 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C ZINC000012778660 526240617 /nfs/dbraw/zinc/24/06/17/526240617.db2.gz IBTUFQKEQBMRJR-IBGZPJMESA-N 0 0 428.561 5.369 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4c5ccccc5OCCC4=O)cc3)sc2c1 ZINC000012762726 526241289 /nfs/dbraw/zinc/24/12/89/526241289.db2.gz CQIIKWUXHUYDJR-UHFFFAOYSA-N 0 0 443.528 5.026 50 0 IKAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)c3ccccn32)cc1 ZINC000012342062 526241878 /nfs/dbraw/zinc/24/18/78/526241878.db2.gz JKJXHTUECMMTRA-UHFFFAOYSA-N 0 0 437.421 5.332 50 0 IKAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3cc(Cl)ccc3C)cc(=O)n2c1 ZINC000021156960 526249828 /nfs/dbraw/zinc/24/98/28/526249828.db2.gz LBMZFLTYJYSXFO-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2nc(COc3cccc(C(=O)N(C)Cc4nc5ccccc5s4)c3)cn2c1 ZINC000022375395 526250282 /nfs/dbraw/zinc/25/02/82/526250282.db2.gz QGEDIIJTCTZFQP-UHFFFAOYSA-N 0 0 442.544 5.104 50 0 IKAARN Cc1cc(C(=O)N2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)cs1 ZINC000017103226 526252566 /nfs/dbraw/zinc/25/25/66/526252566.db2.gz GEBYEWDYOOPWJQ-UHFFFAOYSA-N 0 0 439.389 5.176 50 0 IKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)no2)c1 ZINC000036005594 526255454 /nfs/dbraw/zinc/25/54/54/526255454.db2.gz ZCIRCLRZKIPBLJ-UHFFFAOYSA-N 0 0 430.935 6.454 50 0 IKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc3)no2)c1 ZINC000036012477 526255506 /nfs/dbraw/zinc/25/55/06/526255506.db2.gz PYDFMRNPBCPXTG-UHFFFAOYSA-N 0 0 440.499 5.530 50 0 IKAARN Cc1ccc(C(c2ccc(C)o2)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)o1 ZINC000012461852 526255855 /nfs/dbraw/zinc/25/58/55/526255855.db2.gz QAQHFCPAORWXMX-UHFFFAOYSA-N 0 0 425.506 5.050 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021162528 526256728 /nfs/dbraw/zinc/25/67/28/526256728.db2.gz JOFZLRQFZVDRKO-CVDCTZTESA-N 0 0 448.586 5.135 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000034896501 526256782 /nfs/dbraw/zinc/25/67/82/526256782.db2.gz NORJLKQFPRGHIQ-KKSFZXQISA-N 0 0 431.985 5.484 50 0 IKAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C(F)(F)F)c2)no1 ZINC000012431502 526260941 /nfs/dbraw/zinc/26/09/41/526260941.db2.gz LMKCTVMFZRQASY-OAQYLSRUSA-N 0 0 425.410 5.271 50 0 IKAARN Cc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602526 526268676 /nfs/dbraw/zinc/26/86/76/526268676.db2.gz SZKOIIJXUITKHK-UHFFFAOYSA-N 0 0 443.256 5.581 50 0 IKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997027 526278746 /nfs/dbraw/zinc/27/87/46/526278746.db2.gz KPBWNZNCRPFLSV-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025367 526279138 /nfs/dbraw/zinc/27/91/38/526279138.db2.gz ILTRHISGQXKSMA-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN O=C(NCCCn1c2ccccc2c2ccccc21)C1c2ccccc2Oc2ccccc21 ZINC000012360287 526283550 /nfs/dbraw/zinc/28/35/50/526283550.db2.gz QBXMVKIOKIGJEP-UHFFFAOYSA-N 0 0 432.523 6.239 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020616009 526289385 /nfs/dbraw/zinc/28/93/85/526289385.db2.gz CTDNQQOIUGEUCR-UHFFFAOYSA-N 0 0 447.486 5.076 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000020603146 526289430 /nfs/dbraw/zinc/28/94/30/526289430.db2.gz PQBMCDGBBFBGBL-UHFFFAOYSA-N 0 0 442.307 6.464 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c12 ZINC000020604613 526295787 /nfs/dbraw/zinc/29/57/87/526295787.db2.gz AXMLFWNCQUMDDZ-UHFFFAOYSA-N 0 0 433.380 6.075 50 0 IKAARN O=C(C1CCCCC1)N(C(=O)C1CCCCC1)c1ccc(-c2nc3ncccc3o2)cc1 ZINC000022238481 526296885 /nfs/dbraw/zinc/29/68/85/526296885.db2.gz KPPRELZQOICUQH-UHFFFAOYSA-N 0 0 431.536 5.910 50 0 IKAARN O[C@H]([C@@H](c1nc2ccccc2n1Cc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl ZINC000012376625 526297978 /nfs/dbraw/zinc/29/79/78/526297978.db2.gz OVYMARCHHCDVLL-LEWJYISDSA-N 0 0 445.777 5.948 50 0 IKAARN Cc1csc(-c2cc(S(=O)(=O)N(Cc3ccco3)C3CCCCC3)c(C)s2)n1 ZINC000033169461 526299544 /nfs/dbraw/zinc/29/95/44/526299544.db2.gz VMYUTZVRCPFYFQ-UHFFFAOYSA-N 0 0 436.624 5.605 50 0 IKAARN O=C(C1CCCCC1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892169 526300689 /nfs/dbraw/zinc/30/06/89/526300689.db2.gz OQUDHXWKNZSWDD-UHFFFAOYSA-N 0 0 438.641 5.067 50 0 IKAARN Cc1nn2c(ncc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)c2C)c1-c1ccccc1 ZINC000035707187 526312589 /nfs/dbraw/zinc/31/25/89/526312589.db2.gz CQCPMCFJLBJJFQ-AREMUKBSSA-N 0 0 446.554 5.727 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035581132 526315765 /nfs/dbraw/zinc/31/57/65/526315765.db2.gz YPUKXAKWKIWYMT-RBZFPXEDSA-N 0 0 425.941 5.436 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)cs2)cc1 ZINC000012697086 526317188 /nfs/dbraw/zinc/31/71/88/526317188.db2.gz KEULHGJCJQNDOZ-UHFFFAOYSA-N 0 0 426.517 5.974 50 0 IKAARN Fc1ccc(-c2noc(CSc3ccc(-c4ccc(Br)cc4)nn3)n2)cc1 ZINC000033262499 526319795 /nfs/dbraw/zinc/31/97/95/526319795.db2.gz NSMVJMUSGBLDHU-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN Fc1ccc(-n2c(=S)n(CN3CCC[C@@H]3c3cccs3)nc2-c2ccncc2)cc1 ZINC000012544043 526320238 /nfs/dbraw/zinc/32/02/38/526320238.db2.gz LNQKHAHSGDBGIM-LJQANCHMSA-N 0 0 437.569 5.460 50 0 IKAARN Fc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(Cl)c(Cl)c2)cc3C(F)F)cc1 ZINC000020615158 526321563 /nfs/dbraw/zinc/32/15/63/526321563.db2.gz BFVKNFWMJVMABN-UHFFFAOYSA-N 0 0 448.275 7.348 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000012899890 526324460 /nfs/dbraw/zinc/32/44/60/526324460.db2.gz VQFBVZPHXRYAHE-UHFFFAOYSA-N 0 0 439.540 5.465 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012691833 526324807 /nfs/dbraw/zinc/32/48/07/526324807.db2.gz QSONJXIVYWRQRY-UHFFFAOYSA-N 0 0 441.600 5.163 50 0 IKAARN Fc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000012375629 526328437 /nfs/dbraw/zinc/32/84/37/526328437.db2.gz MGDYTDQCMMETGG-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccc(O)cc2)n1C1CCCCC1 ZINC000020738587 526338547 /nfs/dbraw/zinc/33/85/47/526338547.db2.gz YGJRAXDHGDKLRG-OAQYLSRUSA-N 0 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/nfs/dbraw/zinc/39/46/11/526394611.db2.gz FHHHKARFRNQLCF-UHFFFAOYSA-N 0 0 437.393 6.117 50 0 IKAARN c1c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c2ccccc2n1Cc1ccccc1 ZINC000012547453 526401400 /nfs/dbraw/zinc/40/14/00/526401400.db2.gz OUQAXSRGKNNKCD-LJAQVGFWSA-N 0 0 426.523 6.679 50 0 IKAARN Fc1ccccc1-c1ccc(SCc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000033262534 526405024 /nfs/dbraw/zinc/40/50/24/526405024.db2.gz ZNKVFZPPAITNIR-UHFFFAOYSA-N 0 0 443.301 5.388 50 0 IKAARN Fc1ccccc1-n1ncc2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000020605386 526406636 /nfs/dbraw/zinc/40/66/36/526406636.db2.gz LCYKHMRQZZZDPG-UHFFFAOYSA-N 0 0 436.206 6.008 50 0 IKAARN Fc1ccccc1-n1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cccnc1 ZINC000035848119 526406694 /nfs/dbraw/zinc/40/66/94/526406694.db2.gz KNISMCAULXBJGB-UHFFFAOYSA-N 0 0 430.430 5.780 50 0 IKAARN Fc1ccccc1-c1nc2ccc(Cc3ccc4nc(-c5ccccc5F)oc4c3)cc2o1 ZINC000018051101 526407114 /nfs/dbraw/zinc/40/71/14/526407114.db2.gz DIMVHRBATXUSDU-UHFFFAOYSA-N 0 0 438.433 7.172 50 0 IKAARN O=C(CCC1CCCCC1)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1 ZINC000011665562 526407953 /nfs/dbraw/zinc/40/79/53/526407953.db2.gz KBRBLHRRFWAEKF-UHFFFAOYSA-N 0 0 426.524 5.152 50 0 IKAARN Fc1ccccc1N1CCN([C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)CC1 ZINC000021538430 526413972 /nfs/dbraw/zinc/41/39/72/526413972.db2.gz CUUGDCDPPHHIKA-QHCPKHFHSA-N 0 0 448.929 5.441 50 0 IKAARN Fc1ccccc1[C@@H](Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1 ZINC000020988794 526416734 /nfs/dbraw/zinc/41/67/34/526416734.db2.gz WAUZPHDHNTYTPT-LJQANCHMSA-N 0 0 447.819 6.749 50 0 IKAARN Fc1ccccc1[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1nnc(-c2ccccc2)o1 ZINC000020988800 526416804 /nfs/dbraw/zinc/41/68/04/526416804.db2.gz UXSPJWHNEVFROW-LJQANCHMSA-N 0 0 429.373 5.976 50 0 IKAARN Fc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000012312109 526418408 /nfs/dbraw/zinc/41/84/08/526418408.db2.gz OTTUGFPKVIDRRO-FXAWDEMLSA-N 0 0 429.314 5.892 50 0 IKAARN O=C(OC[C@@H]1CCC(=O)N1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000012858327 526421273 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biogenic IKAARN c1cc(CSc2nnc(C3CCCC3)[nH]2)cc(CSc2nnc(C3CCCC3)[nH]2)c1 ZINC000012801377 526431585 /nfs/dbraw/zinc/43/15/85/526431585.db2.gz FWWIJOQDVSCUKZ-UHFFFAOYSA-N 0 0 440.642 5.823 50 0 IKAARN O=C(CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O)NC1CCCCCC1 ZINC000015680080 526434486 /nfs/dbraw/zinc/43/44/86/526434486.db2.gz VJDYLWANHUEAFD-UHFFFAOYSA-N 0 0 427.932 5.107 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000017988273 526437361 /nfs/dbraw/zinc/43/73/61/526437361.db2.gz JWIGEAVWLYRBQQ-PSWAGMNNSA-N 0 0 425.484 5.252 50 0 IKAARN O=C(Oc1c(-c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1)c1ccccc1 ZINC000012517555 526437757 /nfs/dbraw/zinc/43/77/57/526437757.db2.gz OCUCISGEHXSZAA-UHFFFAOYSA-N 0 0 435.910 7.441 50 0 IKAARN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000017988255 526440334 /nfs/dbraw/zinc/44/03/34/526440334.db2.gz PZAQEQGFNKOLDD-DQEYMECFSA-N 0 0 439.511 5.176 50 0 IKAARN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018154936 526440597 /nfs/dbraw/zinc/44/05/97/526440597.db2.gz PZAQEQGFNKOLDD-PLQXJYEYSA-N 0 0 439.511 5.176 50 0 IKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3Br)c2)c1C ZINC000020580562 526450045 /nfs/dbraw/zinc/45/00/45/526450045.db2.gz BJCYSOBDWVWHJB-UHFFFAOYSA-N 0 0 435.343 5.139 50 0 IKAARN c1ccc(-c2ccc(OCCCc3nc(-c4ccncc4)no3)c(-c3ccccc3)c2)cc1 ZINC000012655119 526450770 /nfs/dbraw/zinc/45/07/70/526450770.db2.gz ZHMUGXLYCFONJK-UHFFFAOYSA-N 0 0 433.511 6.477 50 0 IKAARN O=C([C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1)N1CCCC1 ZINC000013113368 526452757 /nfs/dbraw/zinc/45/27/57/526452757.db2.gz WCOFZMKTUOMGPX-QFIPXVFZSA-N 0 0 444.560 5.042 50 0 IKAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000032950696 526467297 /nfs/dbraw/zinc/46/72/97/526467297.db2.gz LQBSTMMOORURLZ-UHFFFAOYSA-N 0 0 426.854 5.457 50 0 IKAARN O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccccc1C(F)(F)F ZINC000012440875 526472405 /nfs/dbraw/zinc/47/24/05/526472405.db2.gz VKSGCPNNVJOPQA-UHFFFAOYSA-N 0 0 435.833 5.001 50 0 IKAARN O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000012440885 526472735 /nfs/dbraw/zinc/47/27/35/526472735.db2.gz VZBUKLYONGETJD-UHFFFAOYSA-N 0 0 435.833 5.001 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000032960753 526520109 /nfs/dbraw/zinc/52/01/09/526520109.db2.gz HFSVBSUSMZAHSZ-NRFANRHFSA-N 0 0 433.533 5.457 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1 ZINC000020616212 526522353 /nfs/dbraw/zinc/52/23/53/526522353.db2.gz NPTQRRUKCRNUMC-UHFFFAOYSA-N 0 0 436.899 5.021 50 0 IKAARN Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000012776691 526530023 /nfs/dbraw/zinc/53/00/23/526530023.db2.gz RJWATTABSCPWGB-UHFFFAOYSA-N 0 0 437.396 6.654 50 0 IKAARN O=C(CCSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccccc1F ZINC000012106157 526546335 /nfs/dbraw/zinc/54/63/35/526546335.db2.gz FPDSPRWQKPEASR-UHFFFAOYSA-N 0 0 432.524 5.118 50 0 IKAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000012212944 526563339 /nfs/dbraw/zinc/56/33/39/526563339.db2.gz VAQSVFWGSGAFLK-LEAFIULHSA-N 0 0 444.550 5.314 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000012786511 526564328 /nfs/dbraw/zinc/56/43/28/526564328.db2.gz APJHTBCDCYNPJS-UHFFFAOYSA-N 0 0 434.439 5.138 50 0 IKAARN Cc1nc(-c2ccc(C(=O)Nc3ccc4c(c3)ncn4[C@@H](C)c3ccccc3)cc2)cs1 ZINC000012463247 526564554 /nfs/dbraw/zinc/56/45/54/526564554.db2.gz IJAHQDLAQAGNNH-KRWDZBQOSA-N 0 0 438.556 6.330 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012409669 526574643 /nfs/dbraw/zinc/57/46/43/526574643.db2.gz IBTZFDWWZVSNRP-UHFFFAOYSA-N 0 0 430.932 5.035 50 0 IKAARN O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000023328541 526574750 /nfs/dbraw/zinc/57/47/50/526574750.db2.gz UWSFPCVCPNFQKX-UHFFFAOYSA-N 0 0 436.726 5.717 50 0 IKAARN c1csc(-c2nnc(Sc3nc(-c4cccnc4)nc4ccccc43)n2C2CC2)c1 ZINC000022023766 526575615 /nfs/dbraw/zinc/57/56/15/526575615.db2.gz IRZNRKCHSYZNBR-UHFFFAOYSA-N 0 0 428.546 5.498 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)CSc3ncnc4sc(C)c(C)c43)cc2)cs1 ZINC000012790435 526576281 /nfs/dbraw/zinc/57/62/81/526576281.db2.gz AKBROZNIICRHPD-UHFFFAOYSA-N 0 0 426.592 5.471 50 0 IKAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@H]1CCCc2ccccc21 ZINC000012002237 526576400 /nfs/dbraw/zinc/57/64/00/526576400.db2.gz XLLDMVPXGBNFNF-LBNVMWSVSA-N 0 0 426.560 5.005 50 0 IKAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)cc3Br)cc2)cs1 ZINC000012631728 526576973 /nfs/dbraw/zinc/57/69/73/526576973.db2.gz BXWIUZUQIHDRKE-ZDUSSCGKSA-N 0 0 430.371 5.629 50 0 IKAARN c1csc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000035325387 526577318 /nfs/dbraw/zinc/57/73/18/526577318.db2.gz JYFCBRJJVXLESQ-IBGZPJMESA-N 0 0 431.542 5.956 50 0 IKAARN O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000022766043 526582225 /nfs/dbraw/zinc/58/22/25/526582225.db2.gz JUPKARFDRYOMOU-OAQYLSRUSA-N 0 0 430.495 5.296 50 0 IKAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1C ZINC000035890303 526584071 /nfs/dbraw/zinc/58/40/71/526584071.db2.gz LZGQSURGQMFKHX-UHFFFAOYSA-N 0 0 446.570 5.159 50 0 IKAARN O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000035673049 526590698 /nfs/dbraw/zinc/59/06/98/526590698.db2.gz KODAIBLWFVMEKV-UHFFFAOYSA-N 0 0 427.504 5.381 50 0 IKAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(n2c3ccc(F)cc3nc2C2CCC2)CC1 ZINC000012242065 526590936 /nfs/dbraw/zinc/59/09/36/526590936.db2.gz AEDJARDXUUWJHA-UHFFFAOYSA-N 0 0 443.526 5.310 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc21)N1CCC(c2ccccc2)CC1 ZINC000017095212 526591374 /nfs/dbraw/zinc/59/13/74/526591374.db2.gz WXRGAJDPSXGGQG-UHFFFAOYSA-N 0 0 426.947 6.575 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)c2)cs1 ZINC000012693076 526591995 /nfs/dbraw/zinc/59/19/95/526591995.db2.gz XBNQHDCEUJKLNC-UHFFFAOYSA-N 0 0 436.968 5.886 50 0 IKAARN O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC000020606824 526594783 /nfs/dbraw/zinc/59/47/83/526594783.db2.gz YQQGTEKJMPVPFD-XLIONFOSSA-N 0 0 441.487 5.124 50 0 IKAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000024473651 526596538 /nfs/dbraw/zinc/59/65/38/526596538.db2.gz IQKZDFYNNONQIU-LJQANCHMSA-N 0 0 429.545 5.493 50 0 IKAARN O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCCC[C@H]1c1ccccn1 ZINC000012429582 526604160 /nfs/dbraw/zinc/60/41/60/526604160.db2.gz RKKNAZKEWVCAGU-FQEVSTJZSA-N 0 0 431.414 5.035 50 0 IKAARN O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCCC[C@@H]1c1ccccn1 ZINC000012429581 526605045 /nfs/dbraw/zinc/60/50/45/526605045.db2.gz RKKNAZKEWVCAGU-HXUWFJFHSA-N 0 0 431.414 5.035 50 0 IKAARN O=C(CCc1ccccc1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000012376268 526610945 /nfs/dbraw/zinc/61/09/45/526610945.db2.gz ZEHFAEBEPZPIGI-UHFFFAOYSA-N 0 0 438.314 6.282 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)NCc2ccccc2)nn1 ZINC000016992324 526615921 /nfs/dbraw/zinc/61/59/21/526615921.db2.gz QMGAHVOXLWLDDA-UHFFFAOYSA-N 0 0 438.603 5.046 50 0 IKAARN O=C(CCc1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1c(F)cccc1Cl ZINC000012459580 526624133 /nfs/dbraw/zinc/62/41/33/526624133.db2.gz YVOLAKLYCMJFPJ-XMMPIXPASA-N 0 0 438.955 6.129 50 0 IKAARN Cc1noc(CSc2ccc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2)n1 ZINC000012924006 526627721 /nfs/dbraw/zinc/62/77/21/526627721.db2.gz DLPWEWFUKSWYMQ-QHCPKHFHSA-N 0 0 429.545 5.384 50 0 IKAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)n1 ZINC000012888930 526629057 /nfs/dbraw/zinc/62/90/57/526629057.db2.gz HEOODOOOEDEFHW-UHFFFAOYSA-N 0 0 431.517 6.023 50 0 IKAARN Cc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2C(C)C)n1 ZINC000012920569 526629238 /nfs/dbraw/zinc/62/92/38/526629238.db2.gz GKZLJFPIFZMACZ-UHFFFAOYSA-N 0 0 426.929 5.146 50 0 IKAARN O=C(NCc1c(-c2ccccc2)nc2n1CCS2)C1c2ccccc2Oc2ccccc21 ZINC000017191438 526634170 /nfs/dbraw/zinc/63/41/70/526634170.db2.gz MRZZRSWKGMEOJB-UHFFFAOYSA-N 0 0 439.540 5.210 50 0 IKAARN O=C(CCc1cn2ccccc2n1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000012439057 526635215 /nfs/dbraw/zinc/63/52/15/526635215.db2.gz PGCHYJNFSGYOLI-HHHXNRCGSA-N 0 0 438.506 5.062 50 0 IKAARN Cc1nc(C(=O)N(Cc2cc3ccc(C)cc3nc2-c2cccc(C)c2)C2CC2)cs1 ZINC000012133267 526636937 /nfs/dbraw/zinc/63/69/37/526636937.db2.gz OAZMXOLJPROEPX-UHFFFAOYSA-N 0 0 427.573 6.088 50 0 IKAARN O=C(c1cc2ccccc2[nH]1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000035448294 526638716 /nfs/dbraw/zinc/63/87/16/526638716.db2.gz XRLORUGTFPZYOI-VWLOTQADSA-N 0 0 425.919 6.091 50 0 IKAARN Cc1nc(C(=O)N2CCC(n3c4ccc(C(F)(F)F)cc4nc3C3CCC3)CC2)cs1 ZINC000012243967 526639458 /nfs/dbraw/zinc/63/94/58/526639458.db2.gz VBVLGOIUYQMEAN-UHFFFAOYSA-N 0 0 448.514 5.565 50 0 IKAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(F)c(Cl)c1 ZINC000021721360 526651723 /nfs/dbraw/zinc/65/17/23/526651723.db2.gz YVWUBAGVYLMVTD-UHFFFAOYSA-N 0 0 448.932 5.335 50 0 IKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccnn1Cc1ccccc1Cl ZINC000012921688 526658524 /nfs/dbraw/zinc/65/85/24/526658524.db2.gz DQLWONMIEAZBFR-UHFFFAOYSA-N 0 0 442.853 5.089 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000021923261 526661983 /nfs/dbraw/zinc/66/19/83/526661983.db2.gz MSJBFFWQRIAZSZ-UHFFFAOYSA-N 0 0 438.918 5.647 50 0 IKAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000012773598 526662608 /nfs/dbraw/zinc/66/26/08/526662608.db2.gz BGIQQTLVANJROC-UHFFFAOYSA-N 0 0 432.530 5.646 50 0 IKAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NC[C@@H]1CC12CCCCC2 ZINC000012593729 526663788 /nfs/dbraw/zinc/66/37/88/526663788.db2.gz AGESGRBEHJLEGE-SFHVURJKSA-N 0 0 427.976 5.212 50 0 IKAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CC[C@H](C2CCCCC2)C1 ZINC000014952560 526664403 /nfs/dbraw/zinc/66/44/03/526664403.db2.gz XBUQTJBQJOTXHG-IBGZPJMESA-N 0 0 442.003 5.554 50 0 IKAARN O=C(c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1)N1CCCC1 ZINC000020532323 526671122 /nfs/dbraw/zinc/67/11/22/526671122.db2.gz VRXPDKJFKLMNTI-UHFFFAOYSA-N 0 0 428.561 5.008 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023333960 526671570 /nfs/dbraw/zinc/67/15/70/526671570.db2.gz YZYBVLJXKIGGMO-HSZRJFAPSA-N 0 0 443.349 5.680 50 0 IKAARN O=C(c1ccc(C[S@](=O)c2cccc(Cl)c2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000020514572 526671589 /nfs/dbraw/zinc/67/15/89/526671589.db2.gz SEDUHYRTKGTNCN-SSEXGKCCSA-N 0 0 441.980 5.336 50 0 IKAARN O=C(NCc1ccc(F)cc1)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048658 526672193 /nfs/dbraw/zinc/67/21/93/526672193.db2.gz LMNMYXWAGSGXEC-HSZRJFAPSA-N 0 0 438.543 5.762 50 0 IKAARN O=C(NCc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892432 526672217 /nfs/dbraw/zinc/67/22/17/526672217.db2.gz LCPANOOFYCNBCN-RUZDIDTESA-N 0 0 447.460 5.709 50 0 IKAARN O=C(NCc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892430 526672224 /nfs/dbraw/zinc/67/22/24/526672224.db2.gz LCPANOOFYCNBCN-VWLOTQADSA-N 0 0 447.460 5.709 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1 ZINC000034906563 526673595 /nfs/dbraw/zinc/67/35/95/526673595.db2.gz RLQSXNGYSIPFAU-QFIPXVFZSA-N 0 0 448.586 5.289 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1Br ZINC000328599965 526676881 /nfs/dbraw/zinc/67/68/81/526676881.db2.gz UZUMFDILPYWFEW-GOSISDBHSA-N 0 0 429.701 5.687 50 0 IKAARN O=C(CCn1cnc2cc(-c3noc(-c4cccc(Cl)c4)n3)ccc21)N1CCCCCC1 ZINC000035460541 526681655 /nfs/dbraw/zinc/68/16/55/526681655.db2.gz IPOYQFHLIDTGEL-UHFFFAOYSA-N 0 0 449.942 5.199 50 0 IKAARN O=C(c1ccc(Cl)nc1)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)CC1 ZINC000023454233 526681841 /nfs/dbraw/zinc/68/18/41/526681841.db2.gz SGYKFYLCFWJZNW-UHFFFAOYSA-N 0 0 447.941 5.897 50 0 IKAARN O=C(c1ccc(F)cc1)N(Cc1cccc(OCCc2cccs2)c1)C[C@H]1CCCO1 ZINC000012164992 526688369 /nfs/dbraw/zinc/68/83/69/526688369.db2.gz QLRUDDJERPHFPT-HSZRJFAPSA-N 0 0 439.552 5.330 50 0 IKAARN O=C(CN(Cc1ccco1)C(=O)C1CCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000032969312 526700942 /nfs/dbraw/zinc/70/09/42/526700942.db2.gz BHYTUJRQSLKHLM-UHFFFAOYSA-N 0 0 428.838 5.109 50 0 IKAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012756439 526702368 /nfs/dbraw/zinc/70/23/68/526702368.db2.gz WSNZJJVSLWHNNM-AWEZNQCLSA-N 0 0 432.895 5.040 50 0 IKAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012913052 526702597 /nfs/dbraw/zinc/70/25/97/526702597.db2.gz WNQQHNWRMMSTIL-CQSZACIVSA-N 0 0 432.895 5.040 50 0 IKAARN O=C(NCc1cccc(F)c1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711718 526720018 /nfs/dbraw/zinc/72/00/18/526720018.db2.gz YGDNZOBNZRUQLO-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1CN1CCc2ccccc21 ZINC000021941764 526728003 /nfs/dbraw/zinc/72/80/03/526728003.db2.gz AIMXEABIGSEVOB-UHFFFAOYSA-N 0 0 437.543 5.185 50 0 IKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(C(=O)c2cccs2)CC1 ZINC000020536133 526728907 /nfs/dbraw/zinc/72/89/07/526728907.db2.gz XGSXZOHYRSSZEG-UHFFFAOYSA-N 0 0 443.572 5.337 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3C)cc2)nc1COc1ccc(C)cc1 ZINC000015682159 526728992 /nfs/dbraw/zinc/72/89/92/526728992.db2.gz XPCILIKSVDPREZ-UHFFFAOYSA-N 0 0 440.543 5.818 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)nc1COc1ccccc1 ZINC000020560105 526729916 /nfs/dbraw/zinc/72/99/16/526729916.db2.gz PMCRSOSZTNSMGQ-RUZDIDTESA-N 0 0 438.527 6.036 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000020935071 526730070 /nfs/dbraw/zinc/73/00/70/526730070.db2.gz HADAWDBNIVLGSJ-UHFFFAOYSA-N 0 0 446.528 5.185 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)nc1CSc1ccccc1 ZINC000020560149 526730177 /nfs/dbraw/zinc/73/01/77/526730177.db2.gz PKIMQBQQIVZOPD-PMAPCBKXSA-N 0 0 434.605 6.497 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)NCCCSC1CCCCC1 ZINC000020241321 526731522 /nfs/dbraw/zinc/73/15/22/526731522.db2.gz VWUDJPMGWBLBRU-UHFFFAOYSA-N 0 0 432.655 5.764 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033085267 526734447 /nfs/dbraw/zinc/73/44/47/526734447.db2.gz XULRCXXTDLELMK-UHFFFAOYSA-N 0 0 445.350 5.307 50 0 IKAARN O=C(NCc1ccccc1)c1cccc(Oc2nc(-c3ccncc3)nc3ccccc32)c1 ZINC000012914472 526739273 /nfs/dbraw/zinc/73/92/73/526739273.db2.gz FLRWALWISQZGAN-UHFFFAOYSA-N 0 0 432.483 5.414 50 0 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/nfs/dbraw/zinc/90/77/30/526907730.db2.gz PFAJMYIBDXONOT-UHFFFAOYSA-N 0 0 441.499 5.705 50 0 IKAARN Cc1nc(COc2ccc([C@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2)cs1 ZINC000020936532 526908159 /nfs/dbraw/zinc/90/81/59/526908159.db2.gz GROBPPUIPZQUKA-IBGZPJMESA-N 0 0 433.455 5.159 50 0 IKAARN Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2)cs1 ZINC000020936527 526908432 /nfs/dbraw/zinc/90/84/32/526908432.db2.gz GROBPPUIPZQUKA-LJQANCHMSA-N 0 0 433.455 5.159 50 0 IKAARN Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccc(Br)cc3F)c2)cs1 ZINC000012754890 526908787 /nfs/dbraw/zinc/90/87/87/526908787.db2.gz FQCWYUTWBYCDGF-VMPITWQZSA-N 0 0 447.329 5.584 50 0 IKAARN O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000012660079 526908940 /nfs/dbraw/zinc/90/89/40/526908940.db2.gz OOYBRNUSFALRDY-UHFFFAOYSA-N 0 0 444.314 5.297 50 0 IKAARN O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000014360702 526911952 /nfs/dbraw/zinc/91/19/52/526911952.db2.gz ZRJBTRSXKPXYCC-UHFFFAOYSA-N 0 0 430.287 5.368 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)no1 ZINC000012909105 526917233 /nfs/dbraw/zinc/91/72/33/526917233.db2.gz LERASWDCOYWTOP-UHFFFAOYSA-N 0 0 444.488 5.324 50 0 IKAARN Clc1c(-c2ccc(Cl)cc2)nn(Cc2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000020636906 526924050 /nfs/dbraw/zinc/92/40/50/526924050.db2.gz NPKFJMARLKDGGD-UHFFFAOYSA-N 0 0 448.180 7.879 50 0 IKAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001003111 526932969 /nfs/dbraw/zinc/93/29/69/526932969.db2.gz HPQMODQDCXVHFZ-UHFFFAOYSA-N 0 0 425.768 5.824 50 0 IKAARN O=C(c1sc2ccccc2c1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012750498 526933164 /nfs/dbraw/zinc/93/31/64/526933164.db2.gz NHJAFWUGQSWKMS-UHFFFAOYSA-N 0 0 441.936 5.061 50 0 IKAARN Clc1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1Cl ZINC000012369449 526934574 /nfs/dbraw/zinc/93/45/74/526934574.db2.gz TYHDUUIBKJFXMB-UHFFFAOYSA-N 0 0 440.442 7.175 50 0 IKAARN Clc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4cccc(Cl)c4)n3)o2)cc1 ZINC000020847974 526935375 /nfs/dbraw/zinc/93/53/75/526935375.db2.gz XLUWGFCNPXIPAO-UHFFFAOYSA-N 0 0 434.286 6.397 50 0 IKAARN Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000021916582 526935901 /nfs/dbraw/zinc/93/59/01/526935901.db2.gz WNCNPHVLQKNTTE-HSZRJFAPSA-N 0 0 430.939 5.302 50 0 IKAARN Clc1ccc(-c2nnc(CSc3nc(-c4ccc(Br)cc4)c[nH]3)o2)cc1 ZINC000012559376 526936155 /nfs/dbraw/zinc/93/61/55/526936155.db2.gz JJNDLBAVRXHNOJ-UHFFFAOYSA-N 0 0 447.745 5.835 50 0 IKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(N3CCOCC3)cc2)cc1 ZINC000012563638 526936622 /nfs/dbraw/zinc/93/66/22/526936622.db2.gz LPIAOHMSTUMCOJ-UHFFFAOYSA-N 0 0 441.922 5.126 50 0 IKAARN Clc1ccc(-n2c(-c3ccc(Br)cc3)nc3nc4ccccc4nc32)cc1 ZINC000012622699 526937002 /nfs/dbraw/zinc/93/70/02/526937002.db2.gz UGMAVOYEHOFSHH-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN Clc1ccc(-n2ncc3c4nc(CSc5nc6ccccc6s5)nn4cnc32)cc1 ZINC000020442794 526938087 /nfs/dbraw/zinc/93/80/87/526938087.db2.gz NORMSPPXCIQEMK-UHFFFAOYSA-N 0 0 449.952 5.019 50 0 IKAARN Clc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(Cl)c1 ZINC000021486343 526942253 /nfs/dbraw/zinc/94/22/53/526942253.db2.gz HZMVNIMYXBLXBJ-UHFFFAOYSA-N 0 0 439.392 7.802 50 0 IKAARN O=C(COc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000009669774 526945290 /nfs/dbraw/zinc/94/52/90/526945290.db2.gz QLBPQQYJPPQRMJ-UHFFFAOYSA-N 0 0 432.501 5.142 50 0 IKAARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000012622584 526947148 /nfs/dbraw/zinc/94/71/48/526947148.db2.gz CEAUYOPZLVDGDB-OAQYLSRUSA-N 0 0 433.508 5.019 50 0 IKAARN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000015641596 526949701 /nfs/dbraw/zinc/94/97/01/526949701.db2.gz YQNBXPCQEDBRLR-UHFFFAOYSA-N 0 0 445.997 5.081 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012375382 526954502 /nfs/dbraw/zinc/95/45/02/526954502.db2.gz HRQCCEGTUUQZSH-UHFFFAOYSA-N 0 0 448.828 5.629 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000041091672 526955439 /nfs/dbraw/zinc/95/54/39/526955439.db2.gz UNQBPUCNWDHUGQ-UHFFFAOYSA-N 0 0 447.705 6.473 50 0 IKAARN Clc1ccc(N=C2Nc3cc4c(cc3[C@H](c3ccc(Cl)cc3)O2)OCCO4)cc1 ZINC000012854859 526956112 /nfs/dbraw/zinc/95/61/12/526956112.db2.gz KVMCJVYNJRXRRV-NRFANRHFSA-N 0 0 427.287 5.984 50 0 IKAARN O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000012623891 526959250 /nfs/dbraw/zinc/95/92/50/526959250.db2.gz DDUJCAOTIRDLRY-UHFFFAOYSA-N 0 0 449.643 5.444 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193045 526963152 /nfs/dbraw/zinc/96/31/52/526963152.db2.gz SRWOFOQFTSKALH-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192677 526963186 /nfs/dbraw/zinc/96/31/86/526963186.db2.gz XIOMSBOFYKNISP-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c(Cl)c1 ZINC000012192360 526963240 /nfs/dbraw/zinc/96/32/40/526963240.db2.gz JPGWIEFVJMRKKX-RSXGOPAZSA-N 0 0 445.349 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IKAARN O=C(Nc1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888813 527178812 /nfs/dbraw/zinc/17/88/12/527178812.db2.gz VQGHHJUKMOLQIL-XMMPIXPASA-N 0 0 431.898 6.407 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000035510369 527178867 /nfs/dbraw/zinc/17/88/67/527178867.db2.gz GXYVASIIHHFTCG-UHFFFAOYSA-N 0 0 437.906 5.024 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cnc2ccccc21 ZINC000012564842 527180013 /nfs/dbraw/zinc/18/00/13/527180013.db2.gz PPCGTNKJJIKGDH-UHFFFAOYSA-N 0 0 430.817 6.342 50 0 IKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1csc(-c2ccccc2Cl)n1 ZINC000012425751 527187209 /nfs/dbraw/zinc/18/72/09/527187209.db2.gz TWBWYJUZDMWEQG-QGZVFWFLSA-N 0 0 430.938 5.010 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891263 527193157 /nfs/dbraw/zinc/19/31/57/527193157.db2.gz AMGJVHJYQZLTFO-JOCHJYFZSA-N 0 0 437.927 6.468 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891267 527193183 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O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033441 527248914 /nfs/dbraw/zinc/24/89/14/527248914.db2.gz OCWMJKCVPFORLQ-UHFFFAOYSA-N 0 0 442.846 5.692 50 0 IKAARN O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cccs1 ZINC000012369357 527250245 /nfs/dbraw/zinc/25/02/45/527250245.db2.gz TUDYSWAVPKXCJE-UHFFFAOYSA-N 0 0 431.357 6.830 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020767785 527251010 /nfs/dbraw/zinc/25/10/10/527251010.db2.gz ZYOYNDVGINSOEP-UHFFFAOYSA-N 0 0 439.496 5.468 50 0 IKAARN O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000020523388 527253694 /nfs/dbraw/zinc/25/36/94/527253694.db2.gz JWWCGHMZEJBXGM-UHFFFAOYSA-N 0 0 435.933 5.089 50 0 IKAARN O=S(=O)(Nc1ccccc1NC(=S)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000013043452 527255717 /nfs/dbraw/zinc/25/57/17/527255717.db2.gz GOSSKRSDPNVNQS-UHFFFAOYSA-N 0 0 435.933 5.089 50 0 IKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccc2c(c1)OCO2 ZINC000020530550 527258699 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Cn1cc([C@@H](CC(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891711 527293496 /nfs/dbraw/zinc/29/34/96/527293496.db2.gz XAFOWPSTRVXIJI-NRFANRHFSA-N 0 0 428.498 6.168 50 0 IKAARN O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000012655306 527295934 /nfs/dbraw/zinc/29/59/34/527295934.db2.gz RAXVNYDLFODQQD-JLPGSUDCSA-N 0 0 426.903 5.903 50 0 IKAARN O=C(Nc1ccc2ccccc2c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020615463 527297327 /nfs/dbraw/zinc/29/73/27/527297327.db2.gz XDITYJMKDMJMRI-UHFFFAOYSA-N 0 0 434.849 5.261 50 0 IKAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1SC[C@H]1CCCO1 ZINC000012862311 527299902 /nfs/dbraw/zinc/29/99/02/527299902.db2.gz FGIBTPGNWVYDCF-QGZVFWFLSA-N 0 0 439.606 5.420 50 0 IKAARN O=C(Cc1cccs1)Nc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000037545138 527304594 /nfs/dbraw/zinc/30/45/94/527304594.db2.gz ISQONDJBLXYEBW-UHFFFAOYSA-N 0 0 441.503 5.040 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000012313899 527307835 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O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1nc2ccccc2s1 ZINC000012758178 527332791 /nfs/dbraw/zinc/33/27/91/527332791.db2.gz VANAZNWAQDHVCI-UHFFFAOYSA-N 0 0 433.480 5.298 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709462 527335528 /nfs/dbraw/zinc/33/55/28/527335528.db2.gz QNLCTZLYZOJZAD-HSZRJFAPSA-N 0 0 430.554 6.066 50 0 IKAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000017155577 527336825 /nfs/dbraw/zinc/33/68/25/527336825.db2.gz PNJCFYKIQHRTTO-UHFFFAOYSA-N 0 0 440.739 5.537 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106555 527340984 /nfs/dbraw/zinc/34/09/84/527340984.db2.gz SKGWYGHAYXZESN-UHFFFAOYSA-N 0 0 445.954 5.092 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000035180988 527343851 /nfs/dbraw/zinc/34/38/51/527343851.db2.gz LDQVEPFEHQGOCE-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000035688058 527346020 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O=C(Nc1ccccc1Cl)C(=Cc1cccc(O)c1)C(=O)Nc1ccccc1Cl ZINC000020794283 527415064 /nfs/dbraw/zinc/41/50/64/527415064.db2.gz NFBBAKJIBTVKOY-UHFFFAOYSA-N 0 0 427.287 5.360 50 0 IKAARN O=C(Nc1ccccc1Cl)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021048394 527415699 /nfs/dbraw/zinc/41/56/99/527415699.db2.gz NUECNKUBTKVODG-QFIPXVFZSA-N 0 0 440.971 6.599 50 0 IKAARN O=C(Nc1ccccc1N1CCCC1)c1cc(Br)c(Br)s1 ZINC000018839515 527424824 /nfs/dbraw/zinc/42/48/24/527424824.db2.gz OUPRLRHWZDPSMZ-UHFFFAOYSA-N 0 0 430.165 5.126 50 0 IKAARN O=C(Nc1ccccc1N1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012682655 527425585 /nfs/dbraw/zinc/42/55/85/527425585.db2.gz BUXIRIXJWYPVPO-UHFFFAOYSA-N 0 0 440.478 5.058 50 0 IKAARN O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020723715 527428904 /nfs/dbraw/zinc/42/89/04/527428904.db2.gz APLMVDRHUZHTOY-DEOSSOPVSA-N 0 0 426.516 5.083 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000012342066 527429243 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O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1)c1cccc(F)c1 ZINC000032958460 527436458 /nfs/dbraw/zinc/43/64/58/527436458.db2.gz YKPBPJWWJQYSDX-UHFFFAOYSA-N 0 0 438.915 5.522 50 0 IKAARN O=c1[nH]c(=S)n(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000020603739 527436886 /nfs/dbraw/zinc/43/68/86/527436886.db2.gz FSMMPQIJTSNEFI-QMMMGPOBSA-N 0 0 447.891 5.034 50 0 IKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 ZINC000020608017 527437027 /nfs/dbraw/zinc/43/70/27/527437027.db2.gz VPIVPHNITUITKP-UHFFFAOYSA-N 0 0 442.260 5.237 50 0 IKAARN Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000001415862 527439294 /nfs/dbraw/zinc/43/92/94/527439294.db2.gz XQPLRLDYXGUXDB-UHFFFAOYSA-N 0 0 431.746 5.661 50 0 IKAARN O=c1c2c(nc(SCc3ccc(C(F)(F)F)cc3)n1Cc1ccccc1)CCS2 ZINC000012140516 527455589 /nfs/dbraw/zinc/45/55/89/527455589.db2.gz VSQGTKZPTIHUEG-UHFFFAOYSA-N 0 0 434.508 5.251 50 0 IKAARN O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(OC(F)(F)F)cc1)CCS2 ZINC000012140603 527456191 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O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccc(Cl)cc1 ZINC000013130422 527467211 /nfs/dbraw/zinc/46/72/11/527467211.db2.gz APHSIRVPOMNMLD-UHFFFAOYSA-N 0 0 449.988 6.000 50 0 IKAARN O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1Cc1ccco1 ZINC000014901795 527467573 /nfs/dbraw/zinc/46/75/73/527467573.db2.gz WWPIXAAMKOYLDG-UHFFFAOYSA-N 0 0 438.459 5.075 50 0 IKAARN O=c1cc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)nc2sccn21 ZINC000012567292 527481303 /nfs/dbraw/zinc/48/13/03/527481303.db2.gz WWINYXGTPBRVQO-UHFFFAOYSA-N 0 0 443.985 5.075 50 0 IKAARN O=C(NC1CC1)[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000012507120 527489582 /nfs/dbraw/zinc/48/95/82/527489582.db2.gz FYLNSIVGQGIDKE-QHCPKHFHSA-N 0 0 447.991 5.850 50 0 IKAARN O=C(NC1CC1)[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000012507119 527490364 /nfs/dbraw/zinc/49/03/64/527490364.db2.gz FYLNSIVGQGIDKE-HSZRJFAPSA-N 0 0 447.991 5.850 50 0 IKAARN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc(Br)cc1 ZINC000012559627 527499839 /nfs/dbraw/zinc/49/98/39/527499839.db2.gz LDRTVCBXYBSVNA-UHFFFAOYSA-N 0 0 425.254 5.426 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc2c(c1)OCCO2 ZINC000017191559 527501339 /nfs/dbraw/zinc/50/13/39/527501339.db2.gz SOBCVBDTALAZHE-UHFFFAOYSA-N 0 0 442.496 5.065 50 0 IKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000012546696 527502583 /nfs/dbraw/zinc/50/25/83/527502583.db2.gz UFNJNFCDMQTRTR-UHFFFAOYSA-N 0 0 448.960 6.388 50 0 IKAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000022289554 527508235 /nfs/dbraw/zinc/50/82/35/527508235.db2.gz BGSGTMLQLZFUFG-UHFFFAOYSA-N 0 0 449.605 5.296 50 0 IKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000012265394 527509989 /nfs/dbraw/zinc/50/99/89/527509989.db2.gz OHVZSPBWEJVVTI-UHFFFAOYSA-N 0 0 436.558 5.175 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000000679866 527516985 /nfs/dbraw/zinc/51/69/85/527516985.db2.gz XNHCOTWSIZBCAG-UHFFFAOYSA-N 0 0 425.469 5.493 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000033258569 527518758 /nfs/dbraw/zinc/51/87/58/527518758.db2.gz RUKSIMZVKGGFSU-UHFFFAOYSA-N 0 0 433.899 5.404 50 0 IKAARN O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021162030 527519643 /nfs/dbraw/zinc/51/96/43/527519643.db2.gz MAHCYPIHWPBLJV-UHFFFAOYSA-N 0 0 448.586 5.279 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000012273865 527520593 /nfs/dbraw/zinc/52/05/93/527520593.db2.gz ZVDQIOTTXNSNQS-QHCPKHFHSA-N 0 0 440.524 5.440 50 0 IKAARN Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021717332 527522017 /nfs/dbraw/zinc/52/20/17/527522017.db2.gz ZXGRDFSMENPYTR-JOCHJYFZSA-N 0 0 427.548 5.143 50 0 IKAARN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1sc2cc(F)ccc2c1Cl ZINC000012805580 527523331 /nfs/dbraw/zinc/52/33/31/527523331.db2.gz IUSUONSIFWCXMC-UHFFFAOYSA-N 0 0 431.920 5.120 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c12 ZINC000020516790 527524424 /nfs/dbraw/zinc/52/44/24/527524424.db2.gz BEYOAURFYUHDTH-UHFFFAOYSA-N 0 0 440.425 5.497 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035978128 527525164 /nfs/dbraw/zinc/52/51/64/527525164.db2.gz AYOLZLOSUYUOMI-UHFFFAOYSA-N 0 0 438.959 5.709 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(Oc2cccc(F)c2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035975544 527525436 /nfs/dbraw/zinc/52/54/36/527525436.db2.gz POOLEYUPGBWRLO-UHFFFAOYSA-N 0 0 439.918 5.667 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)NCc3ccccc3Cl)c(Cl)c12 ZINC000011665725 527525804 /nfs/dbraw/zinc/52/58/04/527525804.db2.gz OPUCKJAQECVAKH-UHFFFAOYSA-N 0 0 425.319 5.274 50 0 IKAARN O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1 ZINC000020616546 527526909 /nfs/dbraw/zinc/52/69/09/527526909.db2.gz BLLOAKSKMAXHEQ-NKFKGCMQSA-N 0 0 444.285 5.276 50 0 IKAARN Cc1nn(-c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c(=O)c2ccccc12 ZINC000012444853 527531313 /nfs/dbraw/zinc/53/13/13/527531313.db2.gz LNYLHGSETSQFTM-UHFFFAOYSA-N 0 0 427.548 5.239 50 0 IKAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccc(Oc2ccccc2)c1 ZINC000012564295 527534339 /nfs/dbraw/zinc/53/43/39/527534339.db2.gz PTNHYJGAAPZHAA-UHFFFAOYSA-N 0 0 431.561 6.051 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(CC2CC2)C(=O)c2ccccc2)c1Oc1ccccc1 ZINC000035977976 527536550 /nfs/dbraw/zinc/53/65/50/527536550.db2.gz QEIGGHDPQBCXMA-UHFFFAOYSA-N 0 0 437.543 5.932 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C[C@H]2CCCO2)C(=O)C2CCC2)c1Oc1ccccc1 ZINC000035977909 527537830 /nfs/dbraw/zinc/53/78/30/527537830.db2.gz MSRCCNYYCRDGTE-HSZRJFAPSA-N 0 0 445.563 5.187 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)c1Oc1ccccc1 ZINC000035977906 527538116 /nfs/dbraw/zinc/53/81/16/527538116.db2.gz MSRCCNYYCRDGTE-QHCPKHFHSA-N 0 0 445.563 5.187 50 0 IKAARN O=C(Nc1sc(NC(=O)c2cccc3ccccc32)nc1-c1ccccc1)c1ccccc1 ZINC000035671733 527539705 /nfs/dbraw/zinc/53/97/05/527539705.db2.gz WOUCWXPJJFQHCB-UHFFFAOYSA-N 0 0 449.535 6.468 50 0 IKAARN O=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1)c1ccccc1 ZINC000035671722 527540365 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50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC1CC1)C(=O)NC(C)C ZINC000035978611 527549218 /nfs/dbraw/zinc/54/92/18/527549218.db2.gz KDGZVCRBOTZAQH-UHFFFAOYSA-N 0 0 432.568 5.611 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)NC(C)C ZINC000035971086 527550793 /nfs/dbraw/zinc/55/07/93/527550793.db2.gz UUBBJRIAPFADSL-QHCPKHFHSA-N 0 0 448.567 5.072 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)c1ccco1 ZINC000035970852 527550924 /nfs/dbraw/zinc/55/09/24/527550924.db2.gz SGQWPWRXHQGLCL-UHFFFAOYSA-N 0 0 427.504 5.618 50 0 IKAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc4oc(-c5ccccc5)cc4c3)sc21 ZINC000020617059 527551082 /nfs/dbraw/zinc/55/10/82/527551082.db2.gz BIJYWQOYRZGDOK-UHFFFAOYSA-N 0 0 441.434 6.319 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035976156 527551143 /nfs/dbraw/zinc/55/11/43/527551143.db2.gz WFADVZYJLRYOKS-UHFFFAOYSA-N 0 0 435.955 5.775 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCc3ccc(Cl)cc3)cc1CC2 ZINC000033049003 527551537 /nfs/dbraw/zinc/55/15/37/527551537.db2.gz SVADNGWMCYTASW-UHFFFAOYSA-N 0 0 447.991 5.634 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4ccno4)cc3)c12 ZINC000036616669 527554530 /nfs/dbraw/zinc/55/45/30/527554530.db2.gz JBTKEHGIEAQJED-UHFFFAOYSA-N 0 0 435.487 5.514 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000020892964 527564997 /nfs/dbraw/zinc/56/49/97/527564997.db2.gz GVRIFEYOQLWNIX-NRFANRHFSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000020603210 527565626 /nfs/dbraw/zinc/56/56/26/527565626.db2.gz PNCBRKWRUSHHJF-UHFFFAOYSA-N 0 0 432.243 6.235 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCc3ccc(Cl)cc3)c12 ZINC000020283803 527566298 /nfs/dbraw/zinc/56/62/98/527566298.db2.gz PDFLVWVTDMHXFO-UHFFFAOYSA-N 0 0 425.319 5.274 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCCCC3)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000020893472 527568823 /nfs/dbraw/zinc/56/88/23/527568823.db2.gz KSTCWHGUPPEESY-UHFFFAOYSA-N 0 0 443.016 5.514 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3C)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033019466 527570478 /nfs/dbraw/zinc/57/04/78/527570478.db2.gz CATDWOKVXZJJNV-UHFFFAOYSA-N 0 0 434.540 5.165 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1c(C)sc3ccccc31)CC(=O)N2 ZINC000021661079 527571368 /nfs/dbraw/zinc/57/13/68/527571368.db2.gz DYGRQCXUZOMMTA-OAHLLOKOSA-N 0 0 430.558 5.788 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(F)cc1Cl)CC(=O)N2 ZINC000021661065 527571603 /nfs/dbraw/zinc/57/16/03/527571603.db2.gz UBDQEFNFSIHZQS-AWEZNQCLSA-N 0 0 426.904 5.365 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(F)cc1Cl)CC(=O)N2 ZINC000021661063 527571895 /nfs/dbraw/zinc/57/18/95/527571895.db2.gz UBDQEFNFSIHZQS-CQSZACIVSA-N 0 0 426.904 5.365 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000012469505 527585030 /nfs/dbraw/zinc/58/50/30/527585030.db2.gz LBOPPVHNGFXFDM-DGYKNECPSA-N 0 0 448.489 5.083 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000012374897 527585186 /nfs/dbraw/zinc/58/51/86/527585186.db2.gz PHVXLAKSMKFXKE-FKPDRRRYSA-N 0 0 448.489 5.083 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000012374895 527585615 /nfs/dbraw/zinc/58/56/15/527585615.db2.gz PHVXLAKSMKFXKE-VKGABSAASA-N 0 0 448.489 5.083 50 0 IKAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012599075 527602123 /nfs/dbraw/zinc/60/21/23/527602123.db2.gz FURCLTXABAPGHW-BLGFXRMMSA-N 0 0 440.952 5.488 50 0 IKAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000020662475 527606640 /nfs/dbraw/zinc/60/66/40/527606640.db2.gz NLJHKBDMYAXDCG-LZWSPWQCSA-N 0 0 428.713 6.547 50 0 IKAARN O=C(NCCC1=CCCCC1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415115 527622446 /nfs/dbraw/zinc/62/24/46/527622446.db2.gz VVZBMTXDDUZCGK-UHFFFAOYSA-N 0 0 438.572 5.207 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998835 527625577 /nfs/dbraw/zinc/62/55/77/527625577.db2.gz UESWWLNVUOWZBB-UHFFFAOYSA-N 0 0 449.551 5.143 50 0 IKAARN O=C(/C=C/c1cccc2cccnc12)OCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014812676 527629325 /nfs/dbraw/zinc/62/93/25/527629325.db2.gz ZQCUPJBONFOBKF-WUKNDPDISA-N 0 0 431.495 5.844 50 0 IKAARN O=C(/C=C/c1nc2ccccc2o1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000012908122 527650952 /nfs/dbraw/zinc/65/09/52/527650952.db2.gz DEDOHLHHATZEAZ-VSFTXHECSA-N 0 0 431.419 5.331 50 0 IKAARN O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000034911237 527654909 /nfs/dbraw/zinc/65/49/09/527654909.db2.gz ZORZOQWBODSYAW-POHAHGRESA-N 0 0 427.262 6.593 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020735047 527657349 /nfs/dbraw/zinc/65/73/49/527657349.db2.gz PDUVVKJRNNPGLE-LJQANCHMSA-N 0 0 438.742 5.076 50 0 IKAARN O=C(/C=C\c1ccccc1Cl)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000033342965 527658157 /nfs/dbraw/zinc/65/81/57/527658157.db2.gz QWJOUKRYQSRWNO-YFHOEESVSA-N 0 0 433.758 5.802 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1 ZINC000033021923 527681267 /nfs/dbraw/zinc/68/12/67/527681267.db2.gz LSDKHTZCSPXRHS-UHFFFAOYSA-N 0 0 448.857 6.158 50 0 IKAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)c12 ZINC000012760389 527683015 /nfs/dbraw/zinc/68/30/15/527683015.db2.gz ZTJUQSNZTUTCKK-UHFFFAOYSA-N 0 0 429.307 5.116 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(N2CCSCC2)c2cc(Cl)ccc23)c1 ZINC000020859670 527684136 /nfs/dbraw/zinc/68/41/36/527684136.db2.gz CQYZOOMUAOFUAU-UHFFFAOYSA-N 0 0 449.889 5.170 50 0 IKAARN FC(F)(F)c1cccc(CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)c1 ZINC000016398754 527685531 /nfs/dbraw/zinc/68/55/31/527685531.db2.gz MNEMWZXSXQYLIR-UHFFFAOYSA-N 0 0 431.357 6.293 50 0 IKAARN FC(F)(F)c1ccccc1CSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000012135284 527686750 /nfs/dbraw/zinc/68/67/50/527686750.db2.gz MWJVPZZUYHVNFP-UHFFFAOYSA-N 0 0 432.515 5.564 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000001794291 534936220 /nfs/dbraw/zinc/93/62/20/534936220.db2.gz GMPQGPNWCYTPPI-WJOKGBTCSA-N 0 0 431.579 7.489 50 0 IKAARN CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000002743035 535084201 /nfs/dbraw/zinc/08/42/01/535084201.db2.gz LMZAHBRNVSYUPS-CUNXSJBXSA-N 0 0 426.604 7.238 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000006232772 535097192 /nfs/dbraw/zinc/09/71/92/535097192.db2.gz IVMIEWCOWQDNGP-UHFFFAOYSA-N 0 0 445.634 7.769 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1 ZINC000009569421 535109576 /nfs/dbraw/zinc/10/95/76/535109576.db2.gz GGSGWVQAAPODEE-UHFFFAOYSA-N 0 0 448.588 5.378 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN3c3cc(C(F)(F)F)ccc32)cc1 ZINC000008782257 535121025 /nfs/dbraw/zinc/12/10/25/535121025.db2.gz NBHRNDADJIXESO-KRWDZBQOSA-N 0 0 438.515 5.181 50 0 IKAARN CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000003063663 535123531 /nfs/dbraw/zinc/12/35/31/535123531.db2.gz ZYZIKUCRVICQOH-KOEQRZSOSA-N 0 0 442.584 5.815 50 0 IKAARN CC(C)(C)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)/C(=C/c1ccccc1)O2 ZINC000003050403 535124174 /nfs/dbraw/zinc/12/41/74/535124174.db2.gz KRCNTJFFYUSIHE-JLPGSUDCSA-N 0 0 432.564 5.200 50 0 IKAARN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000003666941 535285052 /nfs/dbraw/zinc/28/50/52/535285052.db2.gz XXGMWZFMNJVVJU-QFIPXVFZSA-N 0 0 427.331 6.553 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 ZINC000009190030 535296942 /nfs/dbraw/zinc/29/69/42/535296942.db2.gz LEGIQMMIBHNQFE-DVECYGJZSA-N 0 0 428.532 5.619 50 0 IKAARN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C ZINC000000725743 535319181 /nfs/dbraw/zinc/31/91/81/535319181.db2.gz APAMXHLGKORGCF-CLOONOSVSA-N 0 0 430.523 5.678 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2C(C)C)CC1 ZINC000006834753 535346825 /nfs/dbraw/zinc/34/68/25/535346825.db2.gz QPGBMZAUODAGFE-JOCHJYFZSA-N 0 0 436.644 5.749 50 0 IKAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCCC1 ZINC000000749535 535472766 /nfs/dbraw/zinc/47/27/66/535472766.db2.gz VXAXBMQMWBBYQG-UHFFFAOYSA-N 0 0 429.564 5.564 50 0 IKAARN CCCn1c2ccccc2nc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001166320 535594834 /nfs/dbraw/zinc/59/48/34/535594834.db2.gz XHCYPJDZLUAMST-UHFFFAOYSA-N 0 0 431.586 6.368 50 0 aggregator IKAARN CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(I)cc2)c2ccccc2N1C(C)=O ZINC000009434480 535951696 /nfs/dbraw/zinc/95/16/96/535951696.db2.gz BHOZEQWQPMADOF-YHBQJITHSA-N 0 0 434.321 5.226 50 0 IKAARN CCc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1 ZINC000003585805 535963829 /nfs/dbraw/zinc/96/38/29/535963829.db2.gz NEGGUHNBARJBCI-UHFFFAOYSA-N 0 0 436.559 5.503 50 0 IKAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c2ccccc2O1 ZINC000009406021 536117026 /nfs/dbraw/zinc/11/70/26/536117026.db2.gz GRYGYWTYKABJPC-IBGZPJMESA-N 0 0 441.959 5.097 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757230 536189178 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CCOc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000626747 555512896 /nfs/dbraw/zinc/51/28/96/555512896.db2.gz YGGKXHYPTPXJHU-SFHVURJKSA-N 0 0 429.347 5.973 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000628272 555513493 /nfs/dbraw/zinc/51/34/93/555513493.db2.gz XRRXXIDLOWQJKM-UHFFFAOYSA-N 0 0 443.768 5.635 50 0 IKAARN O=C(c1ccccc1)[C@@H](Cn1cncn1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 ZINC000000630050 555514285 /nfs/dbraw/zinc/51/42/85/555514285.db2.gz PLEIRHUGPRYAFK-ISKFKSNPSA-N 0 0 433.964 5.964 50 0 IKAARN COc1ccc(C(=O)[C@H](Cn2cncn2)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000630075 555514350 /nfs/dbraw/zinc/51/43/50/555514350.db2.gz RXRFAQKQVNVOKI-ZCYQVOJMSA-N 0 0 429.545 5.319 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cnc(-c3cccc(Cl)c3)cc12 ZINC000000633075 555515778 /nfs/dbraw/zinc/51/57/78/555515778.db2.gz DROQXCHADCMQOI-UHFFFAOYSA-N 0 0 434.879 5.071 50 0 IKAARN Cc1ccc(CN2C(=O)CS[C@@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000000634760 555516388 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COc1ccc(-c2c3c(nc4sc5c(nc(C)nc5-n5nc(C)cc5C)c42)CCC3)cc1 ZINC000000642954 555519261 /nfs/dbraw/zinc/51/92/61/555519261.db2.gz RNCVURZISZEGAG-UHFFFAOYSA-N 0 0 441.560 5.515 50 0 IKAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000643427 555519282 /nfs/dbraw/zinc/51/92/82/555519282.db2.gz GARKZPAWNWMNMV-UHFFFAOYSA-N 0 0 436.511 5.718 50 0 IKAARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3N[C@@H](c3ccccc3)NC2=O)cc1 ZINC000000643027 555519299 /nfs/dbraw/zinc/51/92/99/555519299.db2.gz NWGBDJCQZITLBB-HSZRJFAPSA-N 0 0 443.528 5.337 50 0 IKAARN C[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000000643588 555519614 /nfs/dbraw/zinc/51/96/14/555519614.db2.gz JMKHMPCWYVWVRX-FQRUVTKNSA-N 0 0 438.527 5.903 50 0 IKAARN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2NC(=O)c2ccc(OC)cc2)cc1 ZINC000000644210 555519809 /nfs/dbraw/zinc/51/98/09/555519809.db2.gz PDUZQVYKEXQSPZ-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN CSc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000000646291 555520709 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Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000651508 555522946 /nfs/dbraw/zinc/52/29/46/555522946.db2.gz QLHUSOZUPUCYAY-BJKOFHAPSA-N 0 0 426.907 5.453 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(OCC)c1OCC ZINC000000651655 555522982 /nfs/dbraw/zinc/52/29/82/555522982.db2.gz DYXAXUGEZCHOIM-UHFFFAOYSA-N 0 0 446.503 5.943 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(F)cc2C)cc1COc1ccc(Br)cc1 ZINC000000651445 555522997 /nfs/dbraw/zinc/52/29/97/555522997.db2.gz COBSMKBICLXFJA-UHFFFAOYSA-N 0 0 444.300 5.737 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000000652088 555523178 /nfs/dbraw/zinc/52/31/78/555523178.db2.gz SGBCMOMSDZHWLZ-UHFFFAOYSA-N 0 0 432.998 6.087 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)c(OC)c1 ZINC000000652465 555523221 /nfs/dbraw/zinc/52/32/21/555523221.db2.gz LFVSWDWNNWXGQT-UHFFFAOYSA-N 0 0 448.906 5.833 50 0 IKAARN CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Oc4ccccc4)cc3)oc2c1 ZINC000000651837 555523265 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/nfs/dbraw/zinc/52/76/86/555527686.db2.gz ASCVKLSVXMMAOD-UHFFFAOYSA-N 0 0 430.533 5.064 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000000666601 555528578 /nfs/dbraw/zinc/52/85/78/555528578.db2.gz SYYAIQVFGLHXIT-UHFFFAOYSA-N 0 0 428.879 5.895 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(Cl)c4)nc3c2)c1 ZINC000000666552 555528581 /nfs/dbraw/zinc/52/85/81/555528581.db2.gz FMSDKUJHAGRCPS-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(C(=O)Nc3cc(OC)cc(OC)c3)c2C)cc1 ZINC000000667438 555529276 /nfs/dbraw/zinc/52/92/76/555529276.db2.gz BMPMYSJKUUNTIS-UHFFFAOYSA-N 0 0 428.488 5.488 50 0 IKAARN CCc1cc2c(cc1[C@@H](CCc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 ZINC000000668005 555529569 /nfs/dbraw/zinc/52/95/69/555529569.db2.gz KSOYOSMTBNKVPW-RUZDIDTESA-N 0 0 429.560 5.443 50 0 IKAARN COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2CCc2ccccc2)cc1 ZINC000000667935 555529599 /nfs/dbraw/zinc/52/95/99/555529599.db2.gz VHUVZJMXMZILSB-RQZHXJHFSA-N 0 0 428.557 5.517 50 0 IKAARN CC1(C)C[C@@H](NC(=O)CCc2ccccc2)C[C@@](C)(CNC(=O)CCc2ccccc2)C1 ZINC000000668764 555529932 /nfs/dbraw/zinc/52/99/32/555529932.db2.gz HMRSMELJZQSKEX-UFHPHHKVSA-N 0 0 434.624 5.069 50 0 IKAARN Cc1cc(Br)cc(Br)c1OC(=O)COc1ccc(Cl)cc1 ZINC000000670352 555530790 /nfs/dbraw/zinc/53/07/90/555530790.db2.gz KSLOIEKIEXRTCM-UHFFFAOYSA-N 0 0 434.511 5.158 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000000670359 555530797 /nfs/dbraw/zinc/53/07/97/555530797.db2.gz OXQFKNQWCZSLFH-QWRGUYRKSA-N 0 0 441.380 5.075 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC)cc1OC ZINC000000671044 555530931 /nfs/dbraw/zinc/53/09/31/555530931.db2.gz LYKHKICSSVGHKM-UHFFFAOYSA-N 0 0 425.506 5.170 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000671737 555531518 /nfs/dbraw/zinc/53/15/18/555531518.db2.gz BASIWVLKALOSTM-ONNFQVAWSA-N 0 0 439.464 5.112 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000000673488 555532124 /nfs/dbraw/zinc/53/21/24/555532124.db2.gz TZXSSVXLWZFEFY-UHFFFAOYSA-N 0 0 430.287 5.596 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000673862 555532457 /nfs/dbraw/zinc/53/24/57/555532457.db2.gz QGXLRPBMOJPXQK-YPMHNXCESA-N 0 0 432.899 5.321 50 0 IKAARN CC1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)CC1 ZINC000000673826 555532481 /nfs/dbraw/zinc/53/24/81/555532481.db2.gz BDRJBIBMMOPNCV-DGCLKSJQSA-N 0 0 432.899 5.130 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000000673955 555532496 /nfs/dbraw/zinc/53/24/96/555532496.db2.gz SMCVPQOQWOALIZ-UHFFFAOYSA-N 0 0 429.929 5.402 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)C1CCCCC1 ZINC000000673941 555532576 /nfs/dbraw/zinc/53/25/76/555532576.db2.gz AMBGVFFJXMZQSY-GXTWGEPZSA-N 0 0 446.926 5.663 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(N)=O ZINC000000674017 555532865 /nfs/dbraw/zinc/53/28/65/555532865.db2.gz XOBSRJSMAYJXLE-UHFFFAOYSA-N 0 0 440.977 5.867 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000674278 555533113 /nfs/dbraw/zinc/53/31/13/555533113.db2.gz HUVNHYZVYNLNRB-UHFFFAOYSA-N 0 0 429.951 5.972 50 0 IKAARN O=C(NC1CCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674667 555533392 /nfs/dbraw/zinc/53/33/92/555533392.db2.gz SEYULWWBUUIQEV-GDBMZVCRSA-N 0 0 447.288 5.523 50 0 IKAARN O=C(NC1CCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674668 555533416 /nfs/dbraw/zinc/53/34/16/555533416.db2.gz SEYULWWBUUIQEV-GOEBONIOSA-N 0 0 447.288 5.523 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000674641 555533434 /nfs/dbraw/zinc/53/34/34/555533434.db2.gz LWPFUEWWXPFBDL-DZGCQCFKSA-N 0 0 428.386 5.135 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000674636 555533462 /nfs/dbraw/zinc/53/34/62/555533462.db2.gz LWPFUEWWXPFBDL-HIFRSBDPSA-N 0 0 428.386 5.135 50 0 IKAARN O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000674972 555534070 /nfs/dbraw/zinc/53/40/70/555534070.db2.gz BUTQXSFMIXYRCH-GXSJLCMTSA-N 0 0 446.216 5.091 50 0 IKAARN Cc1ccc(C(=O)Nc2sc(C(=O)Nc3ccccc3C)c(C)c2C(=O)OC(C)C)o1 ZINC000000675913 555534601 /nfs/dbraw/zinc/53/46/01/555534601.db2.gz PQAPCIHBPPCZCV-UHFFFAOYSA-N 0 0 440.521 5.336 50 0 IKAARN COc1ccccc1C(=O)Nc1c(C)nn(Cc2cccc(Oc3ccccc3)c2)c1C ZINC000000675759 555534659 /nfs/dbraw/zinc/53/46/59/555534659.db2.gz VVKOCJKINSIWKN-UHFFFAOYSA-N 0 0 427.504 5.601 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc(C)c1-c1ccc(F)cc1 ZINC000000675821 555534687 /nfs/dbraw/zinc/53/46/87/555534687.db2.gz AXTGHYTWDJJMSK-UHFFFAOYSA-N 0 0 443.496 5.309 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1sc2ccccc2c1Cl ZINC000000676473 555534906 /nfs/dbraw/zinc/53/49/06/555534906.db2.gz MYBZVJYWMLBGPP-UHFFFAOYSA-N 0 0 448.997 5.418 50 0 IKAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O ZINC000000676847 555535211 /nfs/dbraw/zinc/53/52/11/555535211.db2.gz CQRWDSJHQYFODB-MRXNPFEDSA-N 0 0 436.577 5.277 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000676990 555535436 /nfs/dbraw/zinc/53/54/36/555535436.db2.gz AYWFUHMNYFRCLW-UHFFFAOYSA-N 0 0 429.929 5.199 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1Cl ZINC000000677418 555535654 /nfs/dbraw/zinc/53/56/54/555535654.db2.gz ZODJKXCVMWKMGV-UHFFFAOYSA-N 0 0 431.710 5.941 50 0 IKAARN COc1cc(NC(=O)COc2cccc(C)c2C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000000677998 555535657 /nfs/dbraw/zinc/53/56/57/555535657.db2.gz WAVRIZJVOJYZKA-UHFFFAOYSA-N 0 0 444.487 5.328 50 0 IKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000000678720 555536269 /nfs/dbraw/zinc/53/62/69/555536269.db2.gz WKQOEQTYYAKTTN-UHFFFAOYSA-N 0 0 432.936 6.103 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 ZINC000000678782 555536361 /nfs/dbraw/zinc/53/63/61/555536361.db2.gz ZOFZCMGGUDQOFC-UHFFFAOYSA-N 0 0 426.831 5.557 50 0 IKAARN CC(C)c1ccc(OCC(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000678892 555536557 /nfs/dbraw/zinc/53/65/57/555536557.db2.gz WJWMRFAQBAHLRA-UHFFFAOYSA-N 0 0 431.772 5.662 50 0 IKAARN CCC(=O)Nc1ccc2nc(S[C@@H](CC)C(=O)Nc3ccc(C(C)=O)cc3)sc2c1 ZINC000000679232 555536598 /nfs/dbraw/zinc/53/65/98/555536598.db2.gz XAKOTLQTFDUJRP-SFHVURJKSA-N 0 0 441.578 5.357 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-n2cnnc2)ccc1Cl ZINC000000679788 555537157 /nfs/dbraw/zinc/53/71/57/555537157.db2.gz BZSIWTMWAZIWSX-UHFFFAOYSA-N 0 0 431.908 5.450 50 0 IKAARN CCOc1ccc2c(c1)-c1c(sn(-c3ccc(NC(C)=O)cc3)c1=S)C(C)(C)N2 ZINC000000680204 555537165 /nfs/dbraw/zinc/53/71/65/555537165.db2.gz ZMDFIJFEOIEUGR-UHFFFAOYSA-N 0 0 425.579 5.953 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)c1 ZINC000000680577 555537509 /nfs/dbraw/zinc/53/75/09/555537509.db2.gz ZTFUEQRNNOUSAQ-UHFFFAOYSA-N 0 0 433.558 5.588 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(I)cc1 ZINC000000682230 555538015 /nfs/dbraw/zinc/53/80/15/555538015.db2.gz YKGFKBOJPXXFRK-UHFFFAOYSA-N 0 0 427.285 5.452 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000682578 555538197 /nfs/dbraw/zinc/53/81/97/555538197.db2.gz DMZDSSIXTVCWSK-GFCCVEGCSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c(C)c1 ZINC000000682904 555538225 /nfs/dbraw/zinc/53/82/25/555538225.db2.gz ITJVBVAKLJPRFE-ZDUSSCGKSA-N 0 0 441.163 5.543 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)c2)cc1 ZINC000000683003 555538512 /nfs/dbraw/zinc/53/85/12/555538512.db2.gz OICCYXHWDBRVRD-WOJBJXKFSA-N 0 0 432.520 5.115 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)COc3c(C)cccc3C)c2)c1 ZINC000000683276 555538652 /nfs/dbraw/zinc/53/86/52/555538652.db2.gz LFYOOKYNIUPLTE-UHFFFAOYSA-N 0 0 436.939 5.843 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccccc3C)c2)c1 ZINC000000683237 555538682 /nfs/dbraw/zinc/53/86/82/555538682.db2.gz PBNGXLRTHNPFPR-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN COc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3F)nc2O1 ZINC000000683748 555538985 /nfs/dbraw/zinc/53/89/85/555538985.db2.gz PTFLXCZBFRMDJN-QFIPXVFZSA-N 0 0 446.507 5.482 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](/C=C/c2ccco2)Nc2ccccc2-3)cc1 ZINC000000684030 555538991 /nfs/dbraw/zinc/53/89/91/555538991.db2.gz VEGZMQWHTKOCLM-IWGBCORSSA-N 0 0 428.517 5.576 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)N(C(C)=O)c1ccccc1-2 ZINC000000684151 555539080 /nfs/dbraw/zinc/53/90/80/555539080.db2.gz VOTRKNKCIWVDKB-HSZRJFAPSA-N 0 0 448.548 5.026 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc2ccccc21 ZINC000000684299 555539289 /nfs/dbraw/zinc/53/92/89/555539289.db2.gz BGOBUGJHDQIVRJ-QHCPKHFHSA-N 0 0 428.517 5.248 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1 ZINC000000684635 555539511 /nfs/dbraw/zinc/53/95/11/555539511.db2.gz HJPGXYMLMYKZAL-HXUWFJFHSA-N 0 0 426.929 5.138 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc2ccccc21 ZINC000000684707 555539516 /nfs/dbraw/zinc/53/95/16/555539516.db2.gz RAZHTZSGFLIIQI-XMMPIXPASA-N 0 0 442.544 5.638 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1 ZINC000000684634 555539535 /nfs/dbraw/zinc/53/95/35/555539535.db2.gz HJPGXYMLMYKZAL-FQEVSTJZSA-N 0 0 426.929 5.138 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccc(Br)cc21)N1CCc2ccccc21 ZINC000000685754 555539782 /nfs/dbraw/zinc/53/97/82/555539782.db2.gz GMPNISUQEOTGLD-UHFFFAOYSA-N 0 0 429.317 5.867 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3cc(Br)ccc3n2)cc1 ZINC000000685756 555539834 /nfs/dbraw/zinc/53/98/34/555539834.db2.gz YGOOMMSQZAPJNZ-UHFFFAOYSA-N 0 0 449.392 6.593 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000684896 555539901 /nfs/dbraw/zinc/53/99/01/555539901.db2.gz TYGPHIOQXZZUGM-IBGZPJMESA-N 0 0 446.454 5.114 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000000689035 555541354 /nfs/dbraw/zinc/54/13/54/555541354.db2.gz FLRUJZFMAVTMDL-UHFFFAOYSA-N 0 0 436.389 5.902 50 0 IKAARN CC1(C)CN(c2ccccc2)C(=O)[C@@H]1OC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000688159 555541390 /nfs/dbraw/zinc/54/13/90/555541390.db2.gz LJQCICPMTOGJIE-WRGVWOLQSA-N 0 0 437.539 5.269 50 0 IKAARN COc1cccc(-c2cc(C(=O)n3nc(C)cc3C)c3cc(Br)ccc3n2)c1 ZINC000000689161 555541393 /nfs/dbraw/zinc/54/13/93/555541393.db2.gz OALWZRHIWMGMGZ-UHFFFAOYSA-N 0 0 436.309 5.175 50 0 IKAARN COC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1cc2ccccc2oc1=O ZINC000000689025 555541405 /nfs/dbraw/zinc/54/14/05/555541405.db2.gz STHDELVEGYEFDB-UHFFFAOYSA-N 0 0 433.485 5.177 50 0 IKAARN COc1ccc(-c2nc3n[nH]c(Cc4ccccc4)c3c3cc(OC)c(OC)cc32)cc1 ZINC000000690010 555541658 /nfs/dbraw/zinc/54/16/58/555541658.db2.gz RPVMWGXXSSPACB-UHFFFAOYSA-N 0 0 425.488 5.395 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1nc(-c2ccccc2)cs1)CCCCCC3 ZINC000000691649 555541666 /nfs/dbraw/zinc/54/16/66/555541666.db2.gz MRLQOZGLAJXOKL-UHFFFAOYSA-N 0 0 434.590 5.913 50 0 IKAARN COc1ccc(-c2nc3n[nH]c(-c4ccccc4)c3c3cc(OC)c(OC)cc32)cc1OC ZINC000000690004 555541667 /nfs/dbraw/zinc/54/16/67/555541667.db2.gz NPJRTCIQPHJBAX-UHFFFAOYSA-N 0 0 441.487 5.480 50 0 IKAARN COc1ccc(OC)c(-c2nc3c(cnn3-c3ccccc3)c3cc(OC)c(OC)cc32)c1 ZINC000000689989 555541683 /nfs/dbraw/zinc/54/16/83/555541683.db2.gz VTGBILURYITJTM-UHFFFAOYSA-N 0 0 441.487 5.275 50 0 IKAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3c(=O)o2)c1 ZINC000000692534 555541909 /nfs/dbraw/zinc/54/19/09/555541909.db2.gz MTQKZHNHAWWPML-UHFFFAOYSA-N 0 0 434.879 5.143 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(-c3cccc(Cl)c3C)o1)Nc1ccccc1-2 ZINC000000694500 555542561 /nfs/dbraw/zinc/54/25/61/555542561.db2.gz SNZAJUCWGJAHRK-HXUWFJFHSA-N 0 0 436.924 5.985 50 0 IKAARN Cc1occc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccoc3C)c(C)c2)cc1C ZINC000000695624 555542607 /nfs/dbraw/zinc/54/26/07/555542607.db2.gz JXWIGDSRDUXPMR-UHFFFAOYSA-N 0 0 428.488 6.278 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(=O)OC(C)C)C1 ZINC000000695994 555542634 /nfs/dbraw/zinc/54/26/34/555542634.db2.gz YXUTYHALLXZQSM-NSHDSACASA-N 0 0 440.359 5.436 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(-c3cccc(Cl)c3C)o1)Nc1ccccc1-2 ZINC000000694498 555542645 /nfs/dbraw/zinc/54/26/45/555542645.db2.gz SNZAJUCWGJAHRK-FQEVSTJZSA-N 0 0 436.924 5.985 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000701897 555542942 /nfs/dbraw/zinc/54/29/42/555542942.db2.gz XFKYSLAJQJDNNZ-UHFFFAOYSA-N 0 0 445.302 5.028 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000706855 555545043 /nfs/dbraw/zinc/54/50/43/555545043.db2.gz YQQCJIYZIXQZGV-UHFFFAOYSA-N 0 0 443.903 5.583 50 0 IKAARN COc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2-c2ccccc2)cc1 ZINC000000707826 555545362 /nfs/dbraw/zinc/54/53/62/555545362.db2.gz JOINTTHDTAORAQ-UHFFFAOYSA-N 0 0 431.561 5.764 50 0 IKAARN CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)COc4ccccc4)ccc32)cc1 ZINC000000708539 555545743 /nfs/dbraw/zinc/54/57/43/555545743.db2.gz NYFIJBCJSATGRF-UHFFFAOYSA-N 0 0 443.499 5.525 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 ZINC000000708081 555545816 /nfs/dbraw/zinc/54/58/16/555545816.db2.gz UDGLRUCKYKVVIR-PGAZUGQPSA-N 0 0 427.931 5.609 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 ZINC000000712510 555547443 /nfs/dbraw/zinc/54/74/43/555547443.db2.gz JWEYKNKLKAJAJZ-UHFFFAOYSA-N 0 0 433.558 5.588 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000000712736 555547722 /nfs/dbraw/zinc/54/77/22/555547722.db2.gz CNKWCBUDFFZTCM-UHFFFAOYSA-N 0 0 429.545 5.240 50 0 IKAARN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000714954 555548260 /nfs/dbraw/zinc/54/82/60/555548260.db2.gz JCFCWGCVDGABCZ-DOTOQJQBSA-N 0 0 436.821 5.155 50 0 IKAARN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000000714955 555548279 /nfs/dbraw/zinc/54/82/79/555548279.db2.gz JCFCWGCVDGABCZ-NVXWUHKLSA-N 0 0 436.821 5.155 50 0 IKAARN CCc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000000716252 555548656 /nfs/dbraw/zinc/54/86/56/555548656.db2.gz ALJUYIYLGAJFST-UHFFFAOYSA-N 0 0 429.545 5.480 50 0 IKAARN CC1(C)C(=O)[C@@](C)(Cc2ccc(Br)cc2)C(=O)O[C@H]1c1ccc(Cl)cc1 ZINC000000717937 555549180 /nfs/dbraw/zinc/54/91/80/555549180.db2.gz BYYFUQKQRQJWGX-LAUBAEHRSA-N 0 0 435.745 5.545 50 0 IKAARN O=C1CS[C@@H](c2ccc3c(c2)OCO3)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000000718907 555549304 /nfs/dbraw/zinc/54/93/04/555549304.db2.gz MLEOHXUMJITUDX-DEOSSOPVSA-N 0 0 441.512 5.043 50 0 IKAARN O=C1CS[C@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000000717984 555549397 /nfs/dbraw/zinc/54/93/97/555549397.db2.gz GKJGBCNKCCPKHC-HSZRJFAPSA-N 0 0 431.948 5.967 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)N1c2ccccc2CCc2ccccc21 ZINC000000718889 555549403 /nfs/dbraw/zinc/54/94/03/555549403.db2.gz QPESYKQPZKRRFM-UHFFFAOYSA-N 0 0 442.569 5.500 50 0 IKAARN O=C(NC1CCCCCCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000000720201 555549674 /nfs/dbraw/zinc/54/96/74/555549674.db2.gz ZPMOEOJUTVGKON-UHFFFAOYSA-N 0 0 438.931 5.589 50 0 IKAARN Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000720528 555549684 /nfs/dbraw/zinc/54/96/84/555549684.db2.gz FXVNSTZPSHWZMB-YADHBBJMSA-N 0 0 425.843 5.052 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000720708 555549872 /nfs/dbraw/zinc/54/98/72/555549872.db2.gz JLVOTLFWEAVBET-FGZHOGPDSA-N 0 0 442.298 5.566 50 0 IKAARN COc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720739 555549918 /nfs/dbraw/zinc/54/99/18/555549918.db2.gz XZJATTBGOKZMLP-FGZHOGPDSA-N 0 0 427.859 5.032 50 0 IKAARN c1ccc(CCn2c3ccccc3c3nnc(SCc4ccc5nonc5c4)nc32)cc1 ZINC000000720900 555550263 /nfs/dbraw/zinc/55/02/63/555550263.db2.gz TUBYATAHDVEIRP-UHFFFAOYSA-N 0 0 438.516 5.051 50 0 aggregator IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CC[C@@H](C)C3)cc1 ZINC000000722339 555550422 /nfs/dbraw/zinc/55/04/22/555550422.db2.gz ZVOHQIVCWAAMJI-QGZVFWFLSA-N 0 0 448.588 5.705 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000722618 555550450 /nfs/dbraw/zinc/55/04/50/555550450.db2.gz NNHBYFVKSGJDGI-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)oc2c1 ZINC000000722849 555550762 /nfs/dbraw/zinc/55/07/62/555550762.db2.gz VFZPESSYAMXOLE-UHFFFAOYSA-N 0 0 441.256 5.657 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccccc1Br ZINC000000723728 555550768 /nfs/dbraw/zinc/55/07/68/555550768.db2.gz JVEJXALZOJBLOJ-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000722915 555550788 /nfs/dbraw/zinc/55/07/88/555550788.db2.gz NHNXKIRWRSRPPJ-UHFFFAOYSA-N 0 0 428.879 5.895 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000000724533 555551064 /nfs/dbraw/zinc/55/10/64/555551064.db2.gz JEERXTXZBREBTG-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)c1 ZINC000000724653 555551087 /nfs/dbraw/zinc/55/10/87/555551087.db2.gz PZPAVXICZIMOOK-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccco1 ZINC000000724406 555551139 /nfs/dbraw/zinc/55/11/39/555551139.db2.gz CWODGDXPDXULFF-UHFFFAOYSA-N 0 0 441.512 5.326 50 0 IKAARN COc1ccc(-c2c3c(N)c(C(=O)Nc4ccc(C)cc4)sc3nc3c2CCCC3)cc1 ZINC000000726274 555551417 /nfs/dbraw/zinc/55/14/17/555551417.db2.gz XNWWAORJDQOZMB-UHFFFAOYSA-N 0 0 443.572 5.994 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000728174 555551969 /nfs/dbraw/zinc/55/19/69/555551969.db2.gz XDEYQHWWMLJWCL-UHFFFAOYSA-N 0 0 434.455 5.044 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000000731757 555553239 /nfs/dbraw/zinc/55/32/39/555553239.db2.gz UFMMLFPDSLGNLX-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN O=C(NCc1cccs1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000753590 555553854 /nfs/dbraw/zinc/55/38/54/555553854.db2.gz PYPAFXOCJSAFGD-UHFFFAOYSA-N 0 0 436.846 5.060 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000000753539 555553910 /nfs/dbraw/zinc/55/39/10/555553910.db2.gz CNCNBSWTLVQIIU-UHFFFAOYSA-N 0 0 438.314 6.199 50 0 IKAARN COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc(OC)c1OC ZINC000000779055 555554471 /nfs/dbraw/zinc/55/44/71/555554471.db2.gz JIDZJNMGIPLXKH-UHFFFAOYSA-N 0 0 446.503 5.698 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccc2c(c1)OCO2)c1ccccc1OC)Cc1ccccc1 ZINC000000779472 555554474 /nfs/dbraw/zinc/55/44/74/555554474.db2.gz SRADCMOCDMFMPS-JOCHJYFZSA-N 0 0 431.532 5.385 50 0 IKAARN Cc1cccc([C@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c1O ZINC000000781882 555555554 /nfs/dbraw/zinc/55/55/54/555555554.db2.gz BNXXPZAOQBFDQR-RUZDIDTESA-N 0 0 429.560 5.087 50 0 IKAARN Cc1cccc([C@@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c1O ZINC000000781881 555555564 /nfs/dbraw/zinc/55/55/64/555555564.db2.gz BNXXPZAOQBFDQR-VWLOTQADSA-N 0 0 429.560 5.087 50 0 IKAARN CN(C)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc(N(C)C)c3)c2)c1 ZINC000000784057 555555779 /nfs/dbraw/zinc/55/57/79/555555779.db2.gz RAXRLUZYNBWHPW-UHFFFAOYSA-N 0 0 432.528 5.107 50 0 IKAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000000786914 555556417 /nfs/dbraw/zinc/55/64/17/555556417.db2.gz NMMPNPMKXIZWAL-UHFFFAOYSA-N 0 0 445.592 5.411 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)s2)cc1 ZINC000000789933 555556720 /nfs/dbraw/zinc/55/67/20/555556720.db2.gz KQWHQAOLLUYSKV-UHFFFAOYSA-N 0 0 429.501 5.014 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccccc1F ZINC000000798301 555558661 /nfs/dbraw/zinc/55/86/61/555558661.db2.gz BFRTUKXWVUJYTL-UHFFFAOYSA-N 0 0 429.469 5.000 50 0 IKAARN COc1ccc2oc(=O)c(C(=O)Nc3nc(C4C5CC6CC(C5)CC4C6)cs3)cc2c1 ZINC000000811414 555560824 /nfs/dbraw/zinc/56/08/24/555560824.db2.gz ATCREORDKZFOGG-UHFFFAOYSA-N 0 0 436.533 5.050 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc(OC)c1OC ZINC000000812904 555561116 /nfs/dbraw/zinc/56/11/16/555561116.db2.gz KPOXOTVERMGJQS-OAHLLOKOSA-N 0 0 442.309 5.102 50 0 IKAARN O=C(Nc1ccccc1Br)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000000815307 555561441 /nfs/dbraw/zinc/56/14/41/555561441.db2.gz NPSROSAXMSVZGS-UHFFFAOYSA-N 0 0 443.251 5.349 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1CNc1ccc(Cl)c(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000000820906 555563564 /nfs/dbraw/zinc/56/35/64/555563564.db2.gz UUCPGQGQBLTFRC-BWWMBTDCSA-N 0 0 449.337 5.255 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000000821337 555563879 /nfs/dbraw/zinc/56/38/79/555563879.db2.gz JEHFGYBEZIQRME-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN CC1(C)C[C@@H](n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(Cl)cc2)CCO1 ZINC000000822729 555564216 /nfs/dbraw/zinc/56/42/16/555564216.db2.gz BGHAAGGQIMUZPS-KRWDZBQOSA-N 0 0 442.968 5.155 50 0 IKAARN CC1(C)C[C@H](n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(Cl)cc2)CCO1 ZINC000000822730 555564228 /nfs/dbraw/zinc/56/42/28/555564228.db2.gz BGHAAGGQIMUZPS-QGZVFWFLSA-N 0 0 442.968 5.155 50 0 IKAARN Cc1ccc(C)c(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000000827203 555565392 /nfs/dbraw/zinc/56/53/92/555565392.db2.gz JYHWSCYLOPAAMQ-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccccc1Br ZINC000000829417 555565954 /nfs/dbraw/zinc/56/59/54/555565954.db2.gz SVZJIUFCIJSKOU-UHFFFAOYSA-N 0 0 429.126 5.527 50 0 IKAARN CSc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000010528857 555566463 /nfs/dbraw/zinc/56/64/63/555566463.db2.gz BOEMDNWSKSACBI-UHFFFAOYSA-N 0 0 447.629 6.558 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2cccc(O)c2)cs1)c1c(C)cc(C)cc1Cl ZINC000010529549 555566554 /nfs/dbraw/zinc/56/65/54/555566554.db2.gz OHIYKSPXLDOWLQ-UHFFFAOYSA-N 0 0 430.913 5.161 50 0 IKAARN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc34)c21 ZINC000000834441 555566679 /nfs/dbraw/zinc/56/66/79/555566679.db2.gz AIPJKXRICBVMBX-UHFFFAOYSA-N 0 0 425.893 5.559 50 0 IKAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc2c(Br)cccc12 ZINC000000834911 555566961 /nfs/dbraw/zinc/56/69/61/555566961.db2.gz YUGLHKLTDNFRLM-UHFFFAOYSA-N 0 0 443.304 5.589 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cc2ccccc2o1 ZINC000000839032 555567623 /nfs/dbraw/zinc/56/76/23/555567623.db2.gz XNYUJJVHLBBFFO-UHFFFAOYSA-N 0 0 425.271 6.244 50 0 IKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 ZINC000000844293 555568689 /nfs/dbraw/zinc/56/86/89/555568689.db2.gz PTXWHJKGAJFIKJ-DEOSSOPVSA-N 0 0 434.536 5.763 50 0 IKAARN CSc1ccccc1NC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000000845052 555568994 /nfs/dbraw/zinc/56/89/94/555568994.db2.gz RUNMUHWIDLAWHH-UHFFFAOYSA-N 0 0 434.468 5.451 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000846105 555569553 /nfs/dbraw/zinc/56/95/53/555569553.db2.gz KSQKVYLTOBWAEI-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN COc1ccc(-c2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1OC ZINC000000846145 555569641 /nfs/dbraw/zinc/56/96/41/555569641.db2.gz BLSNJWHIIVSBRM-UHFFFAOYSA-N 0 0 448.482 5.889 50 0 IKAARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 ZINC000000848063 555569896 /nfs/dbraw/zinc/56/98/96/555569896.db2.gz OTACMHOUNMFWRD-DEOSSOPVSA-N 0 0 434.536 5.017 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848723 555570073 /nfs/dbraw/zinc/57/00/73/555570073.db2.gz XJLYBLKGIQKCQG-UHFFFAOYSA-N 0 0 444.844 5.341 50 0 IKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc5c6c(cccc64)CC5)cc3n2)cc1 ZINC000000848909 555570084 /nfs/dbraw/zinc/57/00/84/555570084.db2.gz PKPJAEFPPMSRMN-UHFFFAOYSA-N 0 0 434.499 5.323 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1I ZINC000000854697 555571018 /nfs/dbraw/zinc/57/10/18/555571018.db2.gz AZZCXUXTCARVBU-UHFFFAOYSA-N 0 0 438.652 5.160 50 0 IKAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc(-c2ccccc2)cc1 ZINC000000858938 555571919 /nfs/dbraw/zinc/57/19/19/555571919.db2.gz MIIDLBDLDYNGEH-RUZDIDTESA-N 0 0 449.506 5.286 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000000863709 555573240 /nfs/dbraw/zinc/57/32/40/555573240.db2.gz HHCKGBGUFQDXPA-UHFFFAOYSA-N 0 0 428.561 5.151 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865642 555573481 /nfs/dbraw/zinc/57/34/81/555573481.db2.gz UGXGJUPKAZSTFM-HUUCEWRRSA-N 0 0 426.870 5.259 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865640 555573528 /nfs/dbraw/zinc/57/35/28/555573528.db2.gz UGXGJUPKAZSTFM-CABCVRRESA-N 0 0 426.870 5.259 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000865666 555573559 /nfs/dbraw/zinc/57/35/59/555573559.db2.gz SRBPZOCFAMXIDZ-WMZOPIPTSA-N 0 0 434.849 5.127 50 0 IKAARN O=C(c1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1)N1CCCC1 ZINC000000867582 555574345 /nfs/dbraw/zinc/57/43/45/555574345.db2.gz KKGRVCAHFWIOIK-UHFFFAOYSA-N 0 0 428.923 5.930 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000000868693 555574731 /nfs/dbraw/zinc/57/47/31/555574731.db2.gz HLOYFYLYZNRYDL-UHFFFAOYSA-N 0 0 432.343 5.101 50 0 IKAARN COc1ccc2[nH]c(SCc3csc(N(C(C)=O)c4ccc(C)c(C)c4)n3)nc2c1 ZINC000009463168 555575038 /nfs/dbraw/zinc/57/50/38/555575038.db2.gz VQMWHUDKUAAQRI-UHFFFAOYSA-N 0 0 438.578 5.622 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1 ZINC000000873226 555575875 /nfs/dbraw/zinc/57/58/75/555575875.db2.gz FLGFKCUPDLJPDT-MRXNPFEDSA-N 0 0 449.967 5.410 50 0 IKAARN CCc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccc(OC)c2)C[C@H]3C(F)(F)F)cc1 ZINC000000884019 555578333 /nfs/dbraw/zinc/57/83/33/555578333.db2.gz BNAOLJOYKDZGIQ-UXHICEINSA-N 0 0 444.457 5.367 50 0 IKAARN CCc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccc(OC)c2)C[C@H]3C(F)(F)F)cc1 ZINC000000884023 555578396 /nfs/dbraw/zinc/57/83/96/555578396.db2.gz BNAOLJOYKDZGIQ-PMACEKPBSA-N 0 0 444.457 5.367 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1 ZINC000000885304 555578947 /nfs/dbraw/zinc/57/89/47/555578947.db2.gz ZSYVRMJUDIXPSQ-UHFFFAOYSA-N 0 0 429.467 5.300 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)c(C)c1 ZINC000000892331 555579785 /nfs/dbraw/zinc/57/97/85/555579785.db2.gz XVKOAGSVPZJHIF-UHFFFAOYSA-N 0 0 444.560 5.047 50 0 IKAARN CCOc1cc(NC(=O)c2ccc(Cl)cc2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000000892300 555579802 /nfs/dbraw/zinc/57/98/02/555579802.db2.gz UVUVDXLLMCBPNI-UHFFFAOYSA-N 0 0 438.911 5.642 50 0 IKAARN CN(C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)C1CCCCC1 ZINC000000890856 555579821 /nfs/dbraw/zinc/57/98/21/555579821.db2.gz VLLMOOMMQMHFJK-UHFFFAOYSA-N 0 0 427.467 5.185 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccncc2)cc1 ZINC000000897287 555580642 /nfs/dbraw/zinc/58/06/42/555580642.db2.gz MKMKFWHDBUZOLN-UHFFFAOYSA-N 0 0 443.576 5.294 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000900654 555581046 /nfs/dbraw/zinc/58/10/46/555581046.db2.gz VBHKIQWTGIEQTC-CQSZACIVSA-N 0 0 445.466 5.484 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c(C)c1 ZINC000000900593 555581071 /nfs/dbraw/zinc/58/10/71/555581071.db2.gz XBCWXVTYRPFXFS-UHFFFAOYSA-N 0 0 428.561 5.341 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1 ZINC000000901198 555581089 /nfs/dbraw/zinc/58/10/89/555581089.db2.gz CEVACBFGWWMVJA-CQSZACIVSA-N 0 0 447.482 5.599 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000000900813 555581152 /nfs/dbraw/zinc/58/11/52/555581152.db2.gz VMGNMCSPIGYNRD-LBPRGKRZSA-N 0 0 447.438 5.010 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCc2ccccc2C1 ZINC000000901100 555581169 /nfs/dbraw/zinc/58/11/69/555581169.db2.gz VFCPIADYIAKBPO-OAHLLOKOSA-N 0 0 443.494 5.228 50 0 IKAARN Cc1ccc(F)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000901227 555581408 /nfs/dbraw/zinc/58/14/08/555581408.db2.gz HNUXUPYMADEZPJ-ZDUSSCGKSA-N 0 0 435.446 5.729 50 0 IKAARN COc1cc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)ccc1OC(F)F ZINC000009378202 555581628 /nfs/dbraw/zinc/58/16/28/555581628.db2.gz MLWANGAYQREXMS-QGOAFFKASA-N 0 0 449.457 5.030 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000902085 555581655 /nfs/dbraw/zinc/58/16/55/555581655.db2.gz SPWBWOFIJWIZSO-UHFFFAOYSA-N 0 0 435.471 5.784 50 0 IKAARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccco1 ZINC000000904308 555582072 /nfs/dbraw/zinc/58/20/72/555582072.db2.gz FVTOAKQMAXOXPX-UHFFFAOYSA-N 0 0 441.512 5.326 50 0 IKAARN Nc1ccc(-c2nc3cc(Cc4ccc5oc(-c6ccc(N)cc6)nc5c4)ccc3o2)cc1 ZINC000000911952 555582806 /nfs/dbraw/zinc/58/28/06/555582806.db2.gz KFLYNILAXAHPJV-UHFFFAOYSA-N 0 0 432.483 6.058 50 0 IKAARN Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl ZINC000000917285 555583454 /nfs/dbraw/zinc/58/34/54/555583454.db2.gz GOXMJNGIOFCNOQ-INIZCTEOSA-N 0 0 444.004 5.125 50 0 IKAARN Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl ZINC000000917284 555583469 /nfs/dbraw/zinc/58/34/69/555583469.db2.gz GOXMJNGIOFCNOQ-MRXNPFEDSA-N 0 0 444.004 5.125 50 0 IKAARN COc1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1 ZINC000000917989 555583725 /nfs/dbraw/zinc/58/37/25/555583725.db2.gz RAUPBHXPOFYZLN-UHFFFAOYSA-N 0 0 437.443 5.193 50 0 IKAARN COc1ccc(-c2oc3ncn4nc(-c5ccco5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000000917877 555583751 /nfs/dbraw/zinc/58/37/51/555583751.db2.gz UIOJJXASAKDQQL-UHFFFAOYSA-N 0 0 438.443 5.482 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)n1C ZINC000009412526 555584327 /nfs/dbraw/zinc/58/43/27/555584327.db2.gz ZXEBMBFNRPFCJP-NRFANRHFSA-N 0 0 432.549 5.472 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCCC[C@@H]3C)n2)cc1 ZINC000000920460 555584346 /nfs/dbraw/zinc/58/43/46/555584346.db2.gz ASZYKPGTNFOKER-AWEZNQCLSA-N 0 0 439.503 5.054 50 0 IKAARN COc1ccc(N[C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000000921732 555584678 /nfs/dbraw/zinc/58/46/78/555584678.db2.gz KBTDSMFTEQFISH-LOSJGSFVSA-N 0 0 430.529 5.035 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)c1C ZINC000000925196 555584906 /nfs/dbraw/zinc/58/49/06/555584906.db2.gz HVOVOHOKUIMITR-UHFFFAOYSA-N 0 0 442.588 5.265 50 0 IKAARN Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OCc4ccccc4)ccc3c2=O)c1 ZINC000000942712 555587367 /nfs/dbraw/zinc/58/73/67/555587367.db2.gz IHVVQLFDHFQSAG-GOSISDBHSA-N 0 0 430.456 5.404 50 0 IKAARN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000942775 555587378 /nfs/dbraw/zinc/58/73/78/555587378.db2.gz ASSZKVAPTYGQRR-MRXNPFEDSA-N 0 0 447.281 5.068 50 0 IKAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3scc(-c4ccccc4)c32)c1C ZINC000000947699 555588178 /nfs/dbraw/zinc/58/81/78/555588178.db2.gz LUPBEDPHMXTRGO-UHFFFAOYSA-N 0 0 437.546 5.065 50 0 IKAARN CCc1nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c2c1CCCC2 ZINC000000947958 555588573 /nfs/dbraw/zinc/58/85/73/555588573.db2.gz SBDNTHHKKLLULA-UHFFFAOYSA-N 0 0 430.371 5.335 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4cc5c(cc4Cl)OCO5)ccc32)cc1 ZINC000000949226 555588777 /nfs/dbraw/zinc/58/87/77/555588777.db2.gz VNRYCVGIBWFQMS-UHFFFAOYSA-N 0 0 436.847 5.430 50 0 biogenic IKAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C)c(Br)c1 ZINC000000949611 555588788 /nfs/dbraw/zinc/58/87/88/555588788.db2.gz FHPBHUCUZCSWTE-UHFFFAOYSA-N 0 0 443.297 5.013 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000000949308 555588824 /nfs/dbraw/zinc/58/88/24/555588824.db2.gz OUZCRRGYBISSDC-UHFFFAOYSA-N 0 0 437.517 5.120 50 0 IKAARN COc1ccc(C)cc1NC(=O)COc1ccc(-c2ccccc2)cc1Br ZINC000000951426 555589129 /nfs/dbraw/zinc/58/91/29/555589129.db2.gz MUVLGQRWXYYIRK-UHFFFAOYSA-N 0 0 426.310 5.451 50 0 IKAARN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1C ZINC000000951220 555589154 /nfs/dbraw/zinc/58/91/54/555589154.db2.gz IVMMHNVNUMHHKE-UHFFFAOYSA-N 0 0 431.355 5.515 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000951282 555589169 /nfs/dbraw/zinc/58/91/69/555589169.db2.gz GQPYRZORZBYWDH-MHWRWJLKSA-N 0 0 431.488 5.103 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1C ZINC000000955515 555589956 /nfs/dbraw/zinc/58/99/56/555589956.db2.gz QBBZDCVFUMCMDK-UHFFFAOYSA-N 0 0 442.437 5.592 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000000955679 555590332 /nfs/dbraw/zinc/59/03/32/555590332.db2.gz JUGLFITYXVUQFP-UHFFFAOYSA-N 0 0 435.863 5.140 50 0 biogenic IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4C(C)C)c(=O)c23)cc1C ZINC000000955650 555590392 /nfs/dbraw/zinc/59/03/92/555590392.db2.gz QNXSFNUECSPQSW-UHFFFAOYSA-N 0 0 431.561 5.504 50 0 IKAARN COc1cc(C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc(OC)c1OC ZINC000000959491 555590944 /nfs/dbraw/zinc/59/09/44/555590944.db2.gz ASROOXNHDPGDIK-UHFFFAOYSA-N 0 0 443.293 5.361 50 0 IKAARN CN(c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000000969768 555591124 /nfs/dbraw/zinc/59/11/24/555591124.db2.gz NPRHSIFKIIGQSR-UHFFFAOYSA-N 0 0 435.332 5.071 50 0 IKAARN COC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OC)C1c1ccc(Cl)cc1Cl ZINC000000968768 555591128 /nfs/dbraw/zinc/59/11/28/555591128.db2.gz ROUMYKYDXJPWMB-AWEZNQCLSA-N 0 0 446.330 5.268 50 0 IKAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000000976336 555592334 /nfs/dbraw/zinc/59/23/34/555592334.db2.gz CWCMMVHWHMNALH-UHFFFAOYSA-N 0 0 444.004 5.220 50 0 IKAARN CCn1c(CNc2cccc(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000000976287 555592336 /nfs/dbraw/zinc/59/23/36/555592336.db2.gz WRQOIYGWISTPOI-INIZCTEOSA-N 0 0 444.004 5.300 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000000977352 555592646 /nfs/dbraw/zinc/59/26/46/555592646.db2.gz WHPJKYYRWFOEOQ-UHFFFAOYSA-N 0 0 443.286 5.833 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000000976808 555592674 /nfs/dbraw/zinc/59/26/74/555592674.db2.gz BGNBCJONZRWSPX-UHFFFAOYSA-N 0 0 448.979 5.551 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3O)nc2c1 ZINC000000980491 555593278 /nfs/dbraw/zinc/59/32/78/555593278.db2.gz PWMGGGIVQUUSJA-UHFFFAOYSA-N 0 0 437.908 5.289 50 0 IKAARN C[C@H]1CCc2c(sc3ncn4c(SCC(=O)c5ccc(Cl)cc5)nnc4c23)C1 ZINC000000985953 555594479 /nfs/dbraw/zinc/59/44/79/555594479.db2.gz XBMMFPJWTZQLNR-NSHDSACASA-N 0 0 428.970 5.092 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000986431 555594936 /nfs/dbraw/zinc/59/49/36/555594936.db2.gz NTBPDHSLMONGNB-UHFFFAOYSA-N 0 0 429.369 5.056 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(OC)c4)ccc3o2)cc1Cl ZINC000000986846 555595022 /nfs/dbraw/zinc/59/50/22/555595022.db2.gz QYMPPFZMTNERCB-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN CCOC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1cccc2ccccc21 ZINC000000987931 555595354 /nfs/dbraw/zinc/59/53/54/555595354.db2.gz ZGEFYVLRNRIVJL-UHFFFAOYSA-N 0 0 449.304 5.196 50 0 aggregator IKAARN Cc1nnc(-c2cccc(Br)c2)c2cn(-c3ccc(Br)cc3)nc21 ZINC000000988039 555595416 /nfs/dbraw/zinc/59/54/16/555595416.db2.gz SRFXJTJKQWBUMX-UHFFFAOYSA-N 0 0 444.130 5.316 50 0 aggregator IKAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc(OC)c1OC ZINC000000989742 555595509 /nfs/dbraw/zinc/59/55/09/555595509.db2.gz NZAPSQMMOPMUPA-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1 ZINC000000989554 555595547 /nfs/dbraw/zinc/59/55/47/555595547.db2.gz OIZSQKLNJXVAEJ-UHFFFAOYSA-N 0 0 427.254 5.501 50 0 IKAARN O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2ccc(Br)cc2C1=O ZINC000000990333 555595891 /nfs/dbraw/zinc/59/58/91/555595891.db2.gz SIKQZRVMFHTNSB-UHFFFAOYSA-N 0 0 440.680 5.134 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000000990059 555595963 /nfs/dbraw/zinc/59/59/63/555595963.db2.gz NHVLJABGKLWMIZ-AREMUKBSSA-N 0 0 433.935 5.471 50 0 IKAARN O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000000990301 555595975 /nfs/dbraw/zinc/59/59/75/555595975.db2.gz GSGGJILHZBHTCZ-UHFFFAOYSA-N 0 0 430.674 5.678 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc32)cc1 ZINC000000991045 555596293 /nfs/dbraw/zinc/59/62/93/555596293.db2.gz NGRQHFMNOQDJCQ-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2cc(C)ccc2C)cc1 ZINC000000991680 555596502 /nfs/dbraw/zinc/59/65/02/555596502.db2.gz ZSCGAYFAZCGCNN-UHFFFAOYSA-N 0 0 440.499 5.204 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 ZINC000000991679 555596600 /nfs/dbraw/zinc/59/66/00/555596600.db2.gz DIDHSCIHQXQGFT-UHFFFAOYSA-N 0 0 440.499 5.204 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(C(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)c2)c1 ZINC000000992477 555596790 /nfs/dbraw/zinc/59/67/90/555596790.db2.gz USDIGJZNCNXQDE-HNNXBMFYSA-N 0 0 437.879 5.029 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000000991955 555596838 /nfs/dbraw/zinc/59/68/38/555596838.db2.gz GOOYWWXCWZSZNV-UHFFFAOYSA-N 0 0 438.549 5.536 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)cc2)c1 ZINC000000992476 555596846 /nfs/dbraw/zinc/59/68/46/555596846.db2.gz YQQCQSLAHKJUOO-OAHLLOKOSA-N 0 0 437.879 5.029 50 0 IKAARN O=C(COc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(F)cc1 ZINC000000993050 555597167 /nfs/dbraw/zinc/59/71/67/555597167.db2.gz PRJAIPLREAJZRT-UHFFFAOYSA-N 0 0 428.257 5.102 50 0 IKAARN COc1cccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc32)c1 ZINC000000993087 555597178 /nfs/dbraw/zinc/59/71/78/555597178.db2.gz MUYTXNLXORIJQQ-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000992837 555597190 /nfs/dbraw/zinc/59/71/90/555597190.db2.gz QODHGENRVQGWLM-UHFFFAOYSA-N 0 0 442.298 5.594 50 0 IKAARN Cc1cc(Br)cc2c(C(=O)Nc3nccs3)cc(-c3cccs3)nc12 ZINC000000993244 555597471 /nfs/dbraw/zinc/59/74/71/555597471.db2.gz DKZZNPLJWLUZDM-UHFFFAOYSA-N 0 0 430.352 5.743 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1 ZINC000000993201 555597540 /nfs/dbraw/zinc/59/75/40/555597540.db2.gz CUANEKRUBHHVSH-UHFFFAOYSA-N 0 0 440.499 5.566 50 0 IKAARN Cc1cc(Br)cc2c1nc(-c1ccccc1)c(C)c2C(=O)NC[C@@H]1CCCO1 ZINC000000993392 555597680 /nfs/dbraw/zinc/59/76/80/555597680.db2.gz NTDXPIZKXJAMKF-SFHVURJKSA-N 0 0 439.353 5.190 50 0 IKAARN Cc1cc(Br)cc2c(C(=O)NCc3ccccc3)cc(-c3cccs3)nc12 ZINC000000993372 555597702 /nfs/dbraw/zinc/59/77/02/555597702.db2.gz CCUNATIRWMTSFX-UHFFFAOYSA-N 0 0 437.362 5.964 50 0 IKAARN Cc1cc(Br)cc2c1nc(-c1ccccc1)c(C)c2C(=O)NC[C@H]1CCCO1 ZINC000000993391 555597707 /nfs/dbraw/zinc/59/77/07/555597707.db2.gz NTDXPIZKXJAMKF-GOSISDBHSA-N 0 0 439.353 5.190 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1 ZINC000000993368 555597738 /nfs/dbraw/zinc/59/77/38/555597738.db2.gz MMMAVXWKEDXFQL-UHFFFAOYSA-N 0 0 438.936 6.195 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Br)o1)CCCCCC2 ZINC000000994767 555598086 /nfs/dbraw/zinc/59/80/86/555598086.db2.gz JWLGZEFXASTUIP-UHFFFAOYSA-N 0 0 426.332 5.192 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1 ZINC000000995143 555598345 /nfs/dbraw/zinc/59/83/45/555598345.db2.gz ZCUMYVDMXRCIIH-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)cccc1-c1nc2ncccc2o1 ZINC000000997257 555598941 /nfs/dbraw/zinc/59/89/41/555598941.db2.gz HXQLDFRKRXSXNT-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1 ZINC000000997305 555598986 /nfs/dbraw/zinc/59/89/86/555598986.db2.gz SIWKZWFTKUUFTM-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)c(OC)c1 ZINC000000997304 555599033 /nfs/dbraw/zinc/59/90/33/555599033.db2.gz RMFCIMPBBSVMTB-UHFFFAOYSA-N 0 0 426.516 6.295 50 0 IKAARN C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000000998764 555599531 /nfs/dbraw/zinc/59/95/31/555599531.db2.gz ONYYOXQBBGVBPH-SECBINFHSA-N 0 0 446.208 5.525 50 0 IKAARN O=C(c1ccc(COc2ccccc2Cl)o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000997989 555599623 /nfs/dbraw/zinc/59/96/23/555599623.db2.gz ARYQXTMHPZSFGP-UHFFFAOYSA-N 0 0 431.919 6.355 50 0 IKAARN COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1OC ZINC000000998225 555599644 /nfs/dbraw/zinc/59/96/44/555599644.db2.gz OJWHSJIOGRNFJA-XPWALMASSA-N 0 0 427.327 5.927 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000999322 555599864 /nfs/dbraw/zinc/59/98/64/555599864.db2.gz RQPRFABYIJKFQR-UHFFFAOYSA-N 0 0 429.472 5.100 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000999494 555599944 /nfs/dbraw/zinc/59/99/44/555599944.db2.gz LJUPEZOJSBKFTP-PKOBYXMFSA-N 0 0 448.876 5.469 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1Br ZINC000001000547 555600117 /nfs/dbraw/zinc/60/01/17/555600117.db2.gz QRNRZVUOLJEVCK-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN CSc1ccc(Cl)c(C(=O)NC(=S)Nc2ccc(C)cc2Br)c1 ZINC000001003314 555600499 /nfs/dbraw/zinc/60/04/99/555600499.db2.gz BMBSNUCCTPROGV-UHFFFAOYSA-N 0 0 429.792 5.260 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001006558 555601078 /nfs/dbraw/zinc/60/10/78/555601078.db2.gz APJJGXMKVZPYTG-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000001016907 555602875 /nfs/dbraw/zinc/60/28/75/555602875.db2.gz HSFZQAHEJIWXRP-QFIPXVFZSA-N 0 0 446.963 5.686 50 0 IKAARN C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001024523 555603994 /nfs/dbraw/zinc/60/39/94/555603994.db2.gz QCXAUAVJTUALRN-SECBINFHSA-N 0 0 429.407 5.094 50 0 IKAARN Cc1cccc(Cl)c1NC(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001023388 555604075 /nfs/dbraw/zinc/60/40/75/555604075.db2.gz UVSQVOYSMPQLMW-UHFFFAOYSA-N 0 0 435.380 5.656 50 0 IKAARN Cc1cc(-c2nn(C)c(=O)c3ccccc32)cc(C)c1OC(=O)Nc1ccc(Cl)cc1 ZINC000001025031 555604315 /nfs/dbraw/zinc/60/43/15/555604315.db2.gz CLQUXQYKSUTINZ-UHFFFAOYSA-N 0 0 433.895 5.482 50 0 IKAARN O=C(c1cccnc1Oc1ccc(Cl)cc1)N(Cc1ccccn1)Cc1ccccn1 ZINC000001025794 555604397 /nfs/dbraw/zinc/60/43/97/555604397.db2.gz QNMGTPYHXIKGQQ-UHFFFAOYSA-N 0 0 430.895 5.160 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2O[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000001024677 555604422 /nfs/dbraw/zinc/60/44/22/555604422.db2.gz XHJVGQKCOWOVEI-IBGZPJMESA-N 0 0 440.735 5.933 50 0 IKAARN FC(F)(F)c1c(-c2nnc(-c3cc(Cl)cc(Cl)c3)o2)cnn1-c1ccccc1 ZINC000001027143 555604691 /nfs/dbraw/zinc/60/46/91/555604691.db2.gz JXWFYVZUBDMMGN-UHFFFAOYSA-N 0 0 425.197 5.915 50 0 IKAARN O=C1C[C@H](c2cc3c(cc2Cl)OCO3)c2cc(Br)c3ccccc3c2N1 ZINC000001026935 555604731 /nfs/dbraw/zinc/60/47/31/555604731.db2.gz XRKSTSBAGRVIEV-GFCCVEGCSA-N 0 0 430.685 5.459 50 0 IKAARN O=C(OCc1ccco1)c1cnc(Nc2ccc(OC(F)(F)F)cc2)nc1C(F)(F)F ZINC000001027039 555604784 /nfs/dbraw/zinc/60/47/84/555604784.db2.gz VTNPHFOKOKPLCH-UHFFFAOYSA-N 0 0 447.291 5.088 50 0 IKAARN COc1ccc(-c2c(NC(=O)Nc3ccc(F)cc3F)n(C)nc2C(F)(F)F)cc1 ZINC000001029449 555605412 /nfs/dbraw/zinc/60/54/12/555605412.db2.gz BGMRTXBJNUOGAR-UHFFFAOYSA-N 0 0 426.345 5.037 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)cc1 ZINC000001031150 555605660 /nfs/dbraw/zinc/60/56/60/555605660.db2.gz RXMVGWDSFPQSGS-UHFFFAOYSA-N 0 0 443.450 5.881 50 0 IKAARN COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001031332 555606012 /nfs/dbraw/zinc/60/60/12/555606012.db2.gz JVUSOYUEAIIRCA-UHFFFAOYSA-N 0 0 438.094 5.279 50 0 IKAARN CCOC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Oc1cncc(Cl)c1 ZINC000001031428 555606039 /nfs/dbraw/zinc/60/60/39/555606039.db2.gz FXNDYTOSBVNGLM-UHFFFAOYSA-N 0 0 446.290 6.001 50 0 IKAARN Cc1cc(-c2c(C(=O)Sc3ccccc3)c(C)nn2-c2ccc(F)c(Cl)c2)no1 ZINC000001031915 555606175 /nfs/dbraw/zinc/60/61/75/555606175.db2.gz FLVYIPSQNMAXKL-UHFFFAOYSA-N 0 0 427.888 5.869 50 0 IKAARN COc1ccc(-n2ncc(C(=O)NCc3c(Cl)cccc3Oc3ccccc3)c2C)cc1 ZINC000001032509 555606524 /nfs/dbraw/zinc/60/65/24/555606524.db2.gz LVGGQEHACJYQEL-UHFFFAOYSA-N 0 0 447.922 5.565 50 0 IKAARN O=C(CSc1nccc(-c2cccs2)n1)c1cc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000001032576 555606558 /nfs/dbraw/zinc/60/65/58/555606558.db2.gz GZRANAZDMYSNIZ-UHFFFAOYSA-N 0 0 448.356 6.142 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)N(CCc2ccccc2)CCc2ccccn2)c1 ZINC000001033166 555606609 /nfs/dbraw/zinc/60/66/09/555606609.db2.gz HRDMXAAZDKVWRV-UHFFFAOYSA-N 0 0 429.511 5.585 50 0 IKAARN Cc1ccc(-c2cc(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)o3)c(=O)[nH]n2)cc1 ZINC000001032971 555606616 /nfs/dbraw/zinc/60/66/16/555606616.db2.gz SIYATGBBECYANS-UHFFFAOYSA-N 0 0 426.394 5.495 50 0 IKAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1OC1CCCC1 ZINC000001033240 555606798 /nfs/dbraw/zinc/60/67/98/555606798.db2.gz FHTQWQJLFYHKBN-MRXNPFEDSA-N 0 0 440.540 5.185 50 0 IKAARN Cc1c2cc(Cl)ccc2sc1C(=O)CSc1n[nH]c(=O)n1[C@@H](C)c1ccccc1 ZINC000001034082 555607381 /nfs/dbraw/zinc/60/73/81/555607381.db2.gz VXNXTVVLNHFZKR-ZDUSSCGKSA-N 0 0 443.981 5.332 50 0 IKAARN COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(=S)NCc2ccccc2)cc1 ZINC000001035517 555608147 /nfs/dbraw/zinc/60/81/47/555608147.db2.gz JFODARZXLSRAHZ-ILBGXUMGSA-N 0 0 427.573 5.093 50 0 IKAARN COc1cc(CC[C@H](C)NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 ZINC000001037025 555608333 /nfs/dbraw/zinc/60/83/33/555608333.db2.gz GOAPSAWUXKGQKY-FQEVSTJZSA-N 0 0 431.532 5.282 50 0 IKAARN Cc1c(Cl)cccc1N1C(=S)N=NC1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000001036217 555608507 /nfs/dbraw/zinc/60/85/07/555608507.db2.gz SUHBXYQYNYTCFH-UHFFFAOYSA-N 0 0 432.336 5.006 50 0 IKAARN CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cc(Cl)ccc2Cl)c1Cl ZINC000001037734 555608764 /nfs/dbraw/zinc/60/87/64/555608764.db2.gz XUTQORNJLNKNLM-UHFFFAOYSA-N 0 0 427.762 5.534 50 0 IKAARN O=S(=O)(CCSc1nccc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000001038622 555609064 /nfs/dbraw/zinc/60/90/64/555609064.db2.gz ZGHWYVFBRIENMX-UHFFFAOYSA-N 0 0 425.362 5.016 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccco2)cc1 ZINC000001040488 555609749 /nfs/dbraw/zinc/60/97/49/555609749.db2.gz COIDFLSSXALKKZ-UHFFFAOYSA-N 0 0 442.338 5.591 50 0 IKAARN COc1cc(OC)c(NC(=O)[C@H](Sc2ccccc2N)c2ccccc2)cc1Cl ZINC000001042453 555610123 /nfs/dbraw/zinc/61/01/23/555610123.db2.gz QYHJXSLNYFPKEX-OAQYLSRUSA-N 0 0 428.941 5.412 50 0 IKAARN O=C(Nc1ccc(-c2nnc(Nc3ccccc3C(F)(F)F)s2)cc1)c1cccs1 ZINC000001043261 555610264 /nfs/dbraw/zinc/61/02/64/555610264.db2.gz MPQMAWWDSUDVSB-UHFFFAOYSA-N 0 0 446.479 6.281 50 0 IKAARN Cc1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccccc1 ZINC000001042497 555610296 /nfs/dbraw/zinc/61/02/96/555610296.db2.gz OEVTYLZWPUYLOV-UHFFFAOYSA-N 0 0 428.336 5.862 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000001043638 555610639 /nfs/dbraw/zinc/61/06/39/555610639.db2.gz WGCAZWGEIGGLKS-UHFFFAOYSA-N 0 0 443.330 5.692 50 0 IKAARN CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2)c1C ZINC000001046662 555610936 /nfs/dbraw/zinc/61/09/36/555610936.db2.gz AZVZFESRTQHWDN-UHFFFAOYSA-N 0 0 426.904 5.272 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)cc1 ZINC000001044991 555610952 /nfs/dbraw/zinc/61/09/52/555610952.db2.gz LJWAKZLJYNWSJP-UHFFFAOYSA-N 0 0 444.503 5.315 50 0 IKAARN CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1C ZINC000001046664 555611157 /nfs/dbraw/zinc/61/11/57/555611157.db2.gz KBKMPQXXKHWRPA-UHFFFAOYSA-N 0 0 446.429 5.329 50 0 IKAARN Cc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000001047089 555611186 /nfs/dbraw/zinc/61/11/86/555611186.db2.gz WBTVKGHBYVEVFE-UHFFFAOYSA-N 0 0 431.380 6.358 50 0 IKAARN Cc1noc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001047523 555611429 /nfs/dbraw/zinc/61/14/29/555611429.db2.gz VSPBNWIYMRNACW-UHFFFAOYSA-N 0 0 430.213 6.620 50 0 IKAARN FC(F)(F)c1ccc(SCc2noc(COc3ccc(Cl)cc3Cl)n2)nc1 ZINC000001047167 555611498 /nfs/dbraw/zinc/61/14/98/555611498.db2.gz NSOFGXCCPXNAJK-UHFFFAOYSA-N 0 0 436.242 5.662 50 0 IKAARN CCn1nc(C)cc1-c1nnc(SCC(=O)c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000001047579 555611552 /nfs/dbraw/zinc/61/15/52/555611552.db2.gz UGVBBFQPYVAJMT-UHFFFAOYSA-N 0 0 437.956 5.088 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1sccc1-n1cccc1 ZINC000001048976 555612031 /nfs/dbraw/zinc/61/20/31/555612031.db2.gz UDRHYSJBNABBEB-UHFFFAOYSA-N 0 0 433.316 6.166 50 0 IKAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c2ccccc21 ZINC000001050104 555612634 /nfs/dbraw/zinc/61/26/34/555612634.db2.gz FBIPEHSWCMAYBF-UHFFFAOYSA-N 0 0 431.138 5.710 50 0 IKAARN CC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2OC(C)C)c1 ZINC000001051207 555612949 /nfs/dbraw/zinc/61/29/49/555612949.db2.gz RURRYOYVMOVTBH-UHFFFAOYSA-N 0 0 432.520 5.766 50 0 IKAARN Cc1nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc1CC(Cl)(Cl)Cl ZINC000001051150 555612992 /nfs/dbraw/zinc/61/29/92/555612992.db2.gz IMRQUPRKOURLGR-UHFFFAOYSA-N 0 0 433.575 6.315 50 0 IKAARN O=C(NC1(C(Cl)(Cl)Cl)Oc2cc(Cl)c(Cl)cc2O1)Oc1ccccc1 ZINC000001050501 555612993 /nfs/dbraw/zinc/61/29/93/555612993.db2.gz VMRYITBBXYPFLC-UHFFFAOYSA-N 0 0 443.497 5.577 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001051683 555613351 /nfs/dbraw/zinc/61/33/51/555613351.db2.gz WJLQUJRIDAEAFR-UHFFFAOYSA-N 0 0 446.956 5.212 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c(C)c2c1 ZINC000001051714 555613357 /nfs/dbraw/zinc/61/33/57/555613357.db2.gz BBHKZTQXNZZKCI-UHFFFAOYSA-N 0 0 448.544 5.381 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F ZINC000001051475 555613380 /nfs/dbraw/zinc/61/33/80/555613380.db2.gz MBRSNOFPOODCCZ-UHFFFAOYSA-N 0 0 425.316 5.142 50 0 IKAARN COc1ccc(CNC(=O)c2sc3c(ccc(OC)c3Cl)c2Cl)cc1OC ZINC000001055658 555614477 /nfs/dbraw/zinc/61/44/77/555614477.db2.gz BUANMQDYASMHBC-UHFFFAOYSA-N 0 0 426.321 5.164 50 0 IKAARN O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Cl)c1ccc(Br)s1 ZINC000001055978 555614600 /nfs/dbraw/zinc/61/46/00/555614600.db2.gz OZSFIYWSTISUDZ-UHFFFAOYSA-N 0 0 449.132 5.454 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 ZINC000001057507 555614800 /nfs/dbraw/zinc/61/48/00/555614800.db2.gz KQZZIWNKFMPVOD-ZDUSSCGKSA-N 0 0 426.563 5.448 50 0 IKAARN O=C1c2ccccc2C(=O)N1c1cccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000001058872 555615361 /nfs/dbraw/zinc/61/53/61/555615361.db2.gz BVJLEWFXHCZSGR-UHFFFAOYSA-N 0 0 441.468 5.083 50 0 IKAARN COc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1OC ZINC000001059955 555615710 /nfs/dbraw/zinc/61/57/10/555615710.db2.gz OZXGWVJEOJGCGS-UHFFFAOYSA-N 0 0 435.524 5.037 50 0 IKAARN O=S(=O)(c1nc(-c2cccs2)oc1SCc1ccc(F)cc1)c1ccccc1 ZINC000001060567 555616119 /nfs/dbraw/zinc/61/61/19/555616119.db2.gz MWMALQKGEGRQED-UHFFFAOYSA-N 0 0 431.535 5.667 50 0 IKAARN COc1ccc(NC(=O)c2c(-c3ccc(C)o3)csc2NC(=O)c2ccc(C)cc2)cc1 ZINC000001061051 555616367 /nfs/dbraw/zinc/61/63/67/555616367.db2.gz OYQBRJMMCAYRIH-UHFFFAOYSA-N 0 0 446.528 6.138 50 0 IKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)Nc1ccccn1 ZINC000001061591 555616416 /nfs/dbraw/zinc/61/64/16/555616416.db2.gz SHCHNOYXJFWIJN-UHFFFAOYSA-N 0 0 435.483 5.600 50 0 IKAARN CC(C)n1cc(NC(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)cn1 ZINC000001061700 555616421 /nfs/dbraw/zinc/61/64/21/555616421.db2.gz HNELCDJHSOZCIP-UHFFFAOYSA-N 0 0 448.836 5.098 50 0 IKAARN Cn1c(SCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnc1-c1ccncc1 ZINC000001061463 555616431 /nfs/dbraw/zinc/61/64/31/555616431.db2.gz KLEPUSKSKTUVBQ-UHFFFAOYSA-N 0 0 438.597 5.153 50 0 IKAARN COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1NC(=O)c1cccs1 ZINC000001064693 555617582 /nfs/dbraw/zinc/61/75/82/555617582.db2.gz HMEQRRHHPVBFPH-UHFFFAOYSA-N 0 0 444.940 5.297 50 0 IKAARN CCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000001064513 555617659 /nfs/dbraw/zinc/61/76/59/555617659.db2.gz MRMJKZWMZRWDQU-UHFFFAOYSA-N 0 0 441.325 5.602 50 0 IKAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000001065785 555618225 /nfs/dbraw/zinc/61/82/25/555618225.db2.gz ZDRCSVPEGSPIJU-UHFFFAOYSA-N 0 0 441.767 5.950 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl ZINC000001066000 555618471 /nfs/dbraw/zinc/61/84/71/555618471.db2.gz UUKHMEUJVGSKFR-UHFFFAOYSA-N 0 0 445.281 5.436 50 0 IKAARN CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c1 ZINC000001067273 555618997 /nfs/dbraw/zinc/61/89/97/555618997.db2.gz NTLARPNNZIESTE-UHFFFAOYSA-N 0 0 426.472 5.307 50 0 IKAARN O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1nccs1 ZINC000001067892 555619278 /nfs/dbraw/zinc/61/92/78/555619278.db2.gz MBYRXYGTFUPEFD-UHFFFAOYSA-N 0 0 430.864 5.003 50 0 IKAARN O=C(COc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1Cl ZINC000001067839 555619301 /nfs/dbraw/zinc/61/93/01/555619301.db2.gz KRGLSDJGZHTZED-UHFFFAOYSA-N 0 0 448.253 5.548 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000001068310 555619631 /nfs/dbraw/zinc/61/96/31/555619631.db2.gz KZBWDKOLRLNKBU-UHFFFAOYSA-N 0 0 436.353 5.680 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nc(SC)ncc1Cl ZINC000001068928 555619940 /nfs/dbraw/zinc/61/99/40/555619940.db2.gz SMRQKIPAJVUQEK-UHFFFAOYSA-N 0 0 433.942 5.009 50 0 IKAARN COc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1NC(=O)C(C)C ZINC000001069419 555620285 /nfs/dbraw/zinc/62/02/85/555620285.db2.gz FEXWBDJRCXAJTK-UHFFFAOYSA-N 0 0 437.348 6.064 50 0 IKAARN COc1cc(NC(=O)c2ccccc2Br)ccc1NC(=O)c1cccs1 ZINC000001069637 555620582 /nfs/dbraw/zinc/62/05/82/555620582.db2.gz AAUBXTZVMOLOMK-UHFFFAOYSA-N 0 0 431.311 5.024 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1 ZINC000001069769 555620614 /nfs/dbraw/zinc/62/06/14/555620614.db2.gz ACYGMOYFLHAJNK-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccc4Cl)c3N2)cc1 ZINC000001070275 555620881 /nfs/dbraw/zinc/62/08/81/555620881.db2.gz CMPXQTNSKIDVIX-MOPGFXCFSA-N 0 0 448.876 5.435 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC ZINC000001071763 555621430 /nfs/dbraw/zinc/62/14/30/555621430.db2.gz FHOJMDVHVQWCCT-UHFFFAOYSA-N 0 0 432.236 5.518 50 0 IKAARN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O ZINC000001072499 555621797 /nfs/dbraw/zinc/62/17/97/555621797.db2.gz WRSCEFIISWFXRU-NSHDSACASA-N 0 0 442.140 5.056 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)c(C)c1 ZINC000001072811 555622117 /nfs/dbraw/zinc/62/21/17/555622117.db2.gz GFHHVRMCJJAYGQ-UHFFFAOYSA-N 0 0 444.556 5.818 50 0 IKAARN Cc1cccc2c(C(=O)Nc3nncs3)cc(-c3cccc(Br)c3)nc12 ZINC000001073509 555622451 /nfs/dbraw/zinc/62/24/51/555622451.db2.gz HLRHCRUEEJETLT-UHFFFAOYSA-N 0 0 425.311 5.077 50 0 IKAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000001073860 555622837 /nfs/dbraw/zinc/62/28/37/555622837.db2.gz VXECDPTXJYBELT-UHFFFAOYSA-N 0 0 448.500 5.019 50 0 IKAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc32)c1 ZINC000001073712 555622930 /nfs/dbraw/zinc/62/29/30/555622930.db2.gz TYGPSXQWJHWPAQ-UHFFFAOYSA-N 0 0 431.879 5.298 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000001075108 555623661 /nfs/dbraw/zinc/62/36/61/555623661.db2.gz JSNWAISUZBYGEI-UHFFFAOYSA-N 0 0 444.512 5.532 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C/C=C/c3ccccc3)C2=O)cc1 ZINC000001076376 555624361 /nfs/dbraw/zinc/62/43/61/555624361.db2.gz NMDJVHPNSFOFAP-HZUPSRCKSA-N 0 0 439.555 5.505 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000001077550 555625033 /nfs/dbraw/zinc/62/50/33/555625033.db2.gz VQRPKQTUGGYQBP-UHFFFAOYSA-N 0 0 427.835 5.448 50 0 IKAARN Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl ZINC000001081018 555625994 /nfs/dbraw/zinc/62/59/94/555625994.db2.gz PZHONKCSEILCHZ-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000001081625 555626181 /nfs/dbraw/zinc/62/61/81/555626181.db2.gz ZCPGQHWXXPDJPV-MRXNPFEDSA-N 0 0 434.561 5.315 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@H](C)C2 ZINC000001081624 555626272 /nfs/dbraw/zinc/62/62/72/555626272.db2.gz ZCPGQHWXXPDJPV-INIZCTEOSA-N 0 0 434.561 5.315 50 0 IKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 ZINC000001084453 555626515 /nfs/dbraw/zinc/62/65/15/555626515.db2.gz DDXZUIKEJKKWMH-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3C)sc2c1 ZINC000001085573 555626517 /nfs/dbraw/zinc/62/65/17/555626517.db2.gz RUQOPMXQROEXES-UHFFFAOYSA-N 0 0 437.384 5.497 50 0 IKAARN O=C(Nc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1)c1cccc(Cl)c1 ZINC000001086063 555626572 /nfs/dbraw/zinc/62/65/72/555626572.db2.gz UCOXQXMBDZKBOP-UHFFFAOYSA-N 0 0 444.672 5.665 50 0 IKAARN COc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 ZINC000001094702 555627877 /nfs/dbraw/zinc/62/78/77/555627877.db2.gz QQYGQIJWTIHQOM-UHFFFAOYSA-N 0 0 443.286 5.828 50 0 IKAARN COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000001101460 555628959 /nfs/dbraw/zinc/62/89/59/555628959.db2.gz RQBZNJVBBRCIAH-INIZCTEOSA-N 0 0 443.819 5.556 50 0 IKAARN Cc1ccc(C)c(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001102641 555628984 /nfs/dbraw/zinc/62/89/84/555628984.db2.gz KDJCRPDYCNJUNO-UHFFFAOYSA-N 0 0 430.367 5.461 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)cc(-c2nc3ccccc3o2)c1O ZINC000001104802 555629213 /nfs/dbraw/zinc/62/92/13/555629213.db2.gz AFHLTTSRJQTLFR-UHFFFAOYSA-N 0 0 443.484 5.382 50 0 IKAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2c(c1)OCO2 ZINC000001105460 555629241 /nfs/dbraw/zinc/62/92/41/555629241.db2.gz MQPMGPXLGDBGOG-UHFFFAOYSA-N 0 0 436.967 5.188 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001107240 555629667 /nfs/dbraw/zinc/62/96/67/555629667.db2.gz WZVKJTPUVBBBHJ-UHFFFAOYSA-N 0 0 437.524 6.169 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)Cc1ccccc1 ZINC000001108765 555630268 /nfs/dbraw/zinc/63/02/68/555630268.db2.gz XPBNDJHHMGFJPF-UHFFFAOYSA-N 0 0 448.522 5.280 50 0 IKAARN CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2nc1-c1ccco1)[C@H](C)COC ZINC000001109055 555630453 /nfs/dbraw/zinc/63/04/53/555630453.db2.gz QRPXTTHCZKPOKV-LJQANCHMSA-N 0 0 431.536 5.235 50 0 IKAARN Cc1ccc(-c2cc3ccccn3c2C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000001109622 555630807 /nfs/dbraw/zinc/63/08/07/555630807.db2.gz QDDUXOCJUCFSEI-UHFFFAOYSA-N 0 0 425.513 5.940 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Br)cc1C ZINC000001110434 555631111 /nfs/dbraw/zinc/63/11/11/555631111.db2.gz LOMFPNUWORPOTM-UHFFFAOYSA-N 0 0 446.348 6.171 50 0 IKAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001111000 555631754 /nfs/dbraw/zinc/63/17/54/555631754.db2.gz ZFTAIHFHROCZJA-UHFFFAOYSA-N 0 0 441.771 5.097 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c(C)c1 ZINC000001111501 555632046 /nfs/dbraw/zinc/63/20/46/555632046.db2.gz SPJRNWIRSBGDFT-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)cc1 ZINC000001112508 555632296 /nfs/dbraw/zinc/63/22/96/555632296.db2.gz PRJAIAFXXWYMKC-CYBMUJFWSA-N 0 0 448.951 5.041 50 0 IKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)sc2c1 ZINC000001112993 555632630 /nfs/dbraw/zinc/63/26/30/555632630.db2.gz MUZXQEZAKANAMH-UHFFFAOYSA-N 0 0 449.985 5.428 50 0 IKAARN CC1=Nc2ccccc2N=C(NC(=O)Nc2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000001112552 555632654 /nfs/dbraw/zinc/63/26/54/555632654.db2.gz AJUOIZZDFVQXBE-OAQYLSRUSA-N 0 0 437.330 6.735 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000001113366 555633015 /nfs/dbraw/zinc/63/30/15/555633015.db2.gz ZLIBHXQKPBGJHT-UHFFFAOYSA-N 0 0 429.328 6.288 50 0 IKAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000001113086 555633028 /nfs/dbraw/zinc/63/30/28/555633028.db2.gz CRSCROSRMBAYJZ-VMPITWQZSA-N 0 0 445.302 5.808 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000001113951 555633231 /nfs/dbraw/zinc/63/32/31/555633231.db2.gz HGHNSIJOVZSVTB-UHFFFAOYSA-N 0 0 446.161 5.289 50 0 IKAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@]2(C)C1=O ZINC000001113747 555633281 /nfs/dbraw/zinc/63/32/81/555633281.db2.gz WNUGRGGQBWNUOU-SHZLTDHESA-N 0 0 429.903 5.135 50 0 IKAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000001114151 555633437 /nfs/dbraw/zinc/63/34/37/555633437.db2.gz HLJDVYQNSWWQFP-RUDMXATFSA-N 0 0 447.343 5.968 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000001115382 555633995 /nfs/dbraw/zinc/63/39/95/555633995.db2.gz FNRQUNJMESUQCZ-UHFFFAOYSA-N 0 0 435.380 5.643 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1NC(=O)[C@@H](CC)Oc1ccccc1 ZINC000001115180 555634021 /nfs/dbraw/zinc/63/40/21/555634021.db2.gz FNDNFNGDOOWAOK-JWQCQUIFSA-N 0 0 446.547 5.587 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000001115452 555634188 /nfs/dbraw/zinc/63/41/88/555634188.db2.gz SGFCLTWFEVCFAM-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001115920 555634228 /nfs/dbraw/zinc/63/42/28/555634228.db2.gz DCYISAAVJNXOMS-LBPRGKRZSA-N 0 0 428.275 5.603 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001115715 555634268 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Cc1ccc(-n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001117536 555635143 /nfs/dbraw/zinc/63/51/43/555635143.db2.gz SFWPKBBXCASXAV-LJQANCHMSA-N 0 0 428.561 5.212 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001117534 555635148 /nfs/dbraw/zinc/63/51/48/555635148.db2.gz SFWPKBBXCASXAV-IBGZPJMESA-N 0 0 428.561 5.212 50 0 IKAARN CC1CCN(S(=O)(=O)c2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)CC1 ZINC000001117483 555635252 /nfs/dbraw/zinc/63/52/52/555635252.db2.gz AOKGZSULCIGZEE-UHFFFAOYSA-N 0 0 432.998 5.551 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1cccc(Br)c1)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000001119523 555636696 /nfs/dbraw/zinc/63/66/96/555636696.db2.gz HPKPJPBDJXMRKN-HUUCEWRRSA-N 0 0 439.144 5.076 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccncc2)cc1 ZINC000001119506 555636709 /nfs/dbraw/zinc/63/67/09/555636709.db2.gz AISNNRZULMXDTQ-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN Fc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1Cl ZINC000001119816 555636989 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CCOc1c(Cl)cc(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OC)cc1Cl ZINC000001134354 555646333 /nfs/dbraw/zinc/64/63/33/555646333.db2.gz AKPJASJZLPYNQP-UHFFFAOYSA-N 0 0 430.309 5.004 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1cccc(Br)c1 ZINC000001135235 555646517 /nfs/dbraw/zinc/64/65/17/555646517.db2.gz JKXPVOHKJCBHPC-UHFFFAOYSA-N 0 0 429.126 5.527 50 0 IKAARN COc1cc(C=O)c(Br)cc1OCC(=O)N(c1ccccc1)c1ccccc1 ZINC000001135120 555646540 /nfs/dbraw/zinc/64/65/40/555646540.db2.gz JXJWDMZORCFHGL-UHFFFAOYSA-N 0 0 440.293 5.014 50 0 IKAARN O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000001135136 555646641 /nfs/dbraw/zinc/64/66/41/555646641.db2.gz UMCNGVRKCHCTTH-UHFFFAOYSA-N 0 0 433.463 5.225 50 0 IKAARN O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Br)c1 ZINC000001135329 555646928 /nfs/dbraw/zinc/64/69/28/555646928.db2.gz LMLXRCMQURUFHA-QHCPKHFHSA-N 0 0 432.317 5.089 50 0 IKAARN COc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000001136865 555647179 /nfs/dbraw/zinc/64/71/79/555647179.db2.gz 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CCCc1sc(N(C(=O)CC)c2ccc(OC)cc2OC)nc1-c1ccc(Cl)cc1 ZINC000001141269 555650077 /nfs/dbraw/zinc/65/00/77/555650077.db2.gz NTMPXYNKAVPVHK-UHFFFAOYSA-N 0 0 444.984 6.508 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000001140927 555650084 /nfs/dbraw/zinc/65/00/84/555650084.db2.gz MRADSGVWSVHQTG-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN CCOc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)c(Br)cc1OC ZINC000001141401 555650091 /nfs/dbraw/zinc/65/00/91/555650091.db2.gz OKJXOLKYQNRXPB-INIZCTEOSA-N 0 0 426.310 5.484 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000001143326 555651569 /nfs/dbraw/zinc/65/15/69/555651569.db2.gz ONPVTPBFQOTJEL-GOSISDBHSA-N 0 0 444.560 5.452 50 0 IKAARN COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc(OC)c1OC ZINC000001143914 555651772 /nfs/dbraw/zinc/65/17/72/555651772.db2.gz FHVGSEHWCGJLES-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001143815 555651837 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COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1Cl ZINC000001148609 555654996 /nfs/dbraw/zinc/65/49/96/555654996.db2.gz RHHRYDKAKMQTTN-UHFFFAOYSA-N 0 0 434.879 5.908 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000001149991 555655815 /nfs/dbraw/zinc/65/58/15/555655815.db2.gz YOVKGAVZBFYWRM-UHFFFAOYSA-N 0 0 439.846 5.449 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001152534 555656970 /nfs/dbraw/zinc/65/69/70/555656970.db2.gz JMTWYDBKNZXOGS-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN O=C(COc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001153132 555657444 /nfs/dbraw/zinc/65/74/44/555657444.db2.gz MRTXQWLAWHUFNO-PLQXJYEYSA-N 0 0 437.495 5.071 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1C(F)(F)F ZINC000001153815 555657867 /nfs/dbraw/zinc/65/78/67/555657867.db2.gz LQKVXNSYYZUALN-UHFFFAOYSA-N 0 0 448.253 5.793 50 0 IKAARN O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)c1ccc(Br)o1 ZINC000001154429 555658031 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CCC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 ZINC000001158448 555660522 /nfs/dbraw/zinc/66/05/22/555660522.db2.gz YDTFUJNXTDACTH-HSZRJFAPSA-N 0 0 435.951 6.030 50 0 IKAARN CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccco1 ZINC000001160166 555661118 /nfs/dbraw/zinc/66/11/18/555661118.db2.gz RKYGNIKBHPDULJ-UHFFFAOYSA-N 0 0 430.533 5.114 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(C)c(Cl)c3)o1)Nc1ccccc1-2 ZINC000001159927 555661122 /nfs/dbraw/zinc/66/11/22/555661122.db2.gz YPCPVUGYLAMFSI-HXUWFJFHSA-N 0 0 436.924 5.985 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000001159759 555661135 /nfs/dbraw/zinc/66/11/35/555661135.db2.gz OQICLYMDEVAMLV-VAWYXSNFSA-N 0 0 440.952 5.455 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(C)c(Cl)c3)o1)Nc1ccccc1-2 ZINC000001159926 555661213 /nfs/dbraw/zinc/66/12/13/555661213.db2.gz YPCPVUGYLAMFSI-FQEVSTJZSA-N 0 0 436.924 5.985 50 0 IKAARN Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)cccc1-c1nc2ncccc2o1 ZINC000001162269 555662333 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O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccs1 ZINC000001177648 555670270 /nfs/dbraw/zinc/67/02/70/555670270.db2.gz HIAFERXPKMLQAH-UHFFFAOYSA-N 0 0 431.901 5.476 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(Cl)cc1Cl ZINC000001177843 555670567 /nfs/dbraw/zinc/67/05/67/555670567.db2.gz LAFHUZWFYHMFSL-UHFFFAOYSA-N 0 0 443.315 5.323 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cc2ccccc2o1 ZINC000001177931 555670574 /nfs/dbraw/zinc/67/05/74/555670574.db2.gz HSFGDHZMHNADHJ-UHFFFAOYSA-N 0 0 448.891 5.416 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc2ccccc2o1 ZINC000001177814 555670580 /nfs/dbraw/zinc/67/05/80/555670580.db2.gz ZTBZSRLOUHNSPI-UHFFFAOYSA-N 0 0 431.448 5.507 50 0 IKAARN CC(C)C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000001178524 555670795 /nfs/dbraw/zinc/67/07/95/555670795.db2.gz VHRUWOBLLFURFA-HSZRJFAPSA-N 0 0 428.488 5.128 50 0 IKAARN Cn1c(SCc2ccccc2)nnc1-c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000001180023 555671368 /nfs/dbraw/zinc/67/13/68/555671368.db2.gz SLYBCGUTJUTFPS-UHFFFAOYSA-N 0 0 434.952 5.680 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000001180178 555671442 /nfs/dbraw/zinc/67/14/42/555671442.db2.gz OBXGKOWXNAGIQX-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1 ZINC000001180937 555671644 /nfs/dbraw/zinc/67/16/44/555671644.db2.gz OMBYCSPMRYUVNV-UHFFFAOYSA-N 0 0 445.544 5.754 50 0 IKAARN CCOc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000001180754 555671718 /nfs/dbraw/zinc/67/17/18/555671718.db2.gz ZMIKNQKJUFXHRI-UHFFFAOYSA-N 0 0 429.339 5.128 50 0 IKAARN COc1ccc(OCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 ZINC000001181052 555671941 /nfs/dbraw/zinc/67/19/41/555671941.db2.gz MLIRJLRMRDTIOY-UHFFFAOYSA-N 0 0 429.520 5.066 50 0 IKAARN CCOc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1F ZINC000001181697 555672214 /nfs/dbraw/zinc/67/22/14/555672214.db2.gz UOZGEOOCXPXYEL-MTJSOVHGSA-N 0 0 429.513 5.496 50 0 IKAARN CC(=O)N[C@@H](n1c2ccccc2nc1SCc1ccccc1)C(Cl)(Cl)Cl ZINC000001182240 555672256 /nfs/dbraw/zinc/67/22/56/555672256.db2.gz VLYBLDBTQGGTFN-INIZCTEOSA-N 0 0 428.772 5.334 50 0 IKAARN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000001182937 555672837 /nfs/dbraw/zinc/67/28/37/555672837.db2.gz BWXZPODCEAYSLC-UHFFFAOYSA-N 0 0 428.941 5.730 50 0 IKAARN COc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1Cl ZINC000001183476 555673154 /nfs/dbraw/zinc/67/31/54/555673154.db2.gz MCYYWDAOVBUZRG-UHFFFAOYSA-N 0 0 449.757 5.391 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001184588 555673358 /nfs/dbraw/zinc/67/33/58/555673358.db2.gz BHLQGHYTLUXUBC-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN COc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccccc4)cs3)c3ccccn32)cc1 ZINC000001184605 555673376 /nfs/dbraw/zinc/67/33/76/555673376.db2.gz GLORFIUCLIJSLD-UHFFFAOYSA-N 0 0 425.513 5.552 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(I)ccc1Cl ZINC000001184980 555673688 /nfs/dbraw/zinc/67/36/88/555673688.db2.gz MEDDAAPDAVVOGK-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN c1ccc(CSc2nnc3c(n2)O[C@H](c2ccc4c(c2)OCO4)Nc2ccccc2-3)cc1 ZINC000001184943 555673710 /nfs/dbraw/zinc/67/37/10/555673710.db2.gz VQCNCZNFZABMHI-JOCHJYFZSA-N 0 0 442.500 5.063 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccccc3)cc2)cc1 ZINC000001185761 555673913 /nfs/dbraw/zinc/67/39/13/555673913.db2.gz IYSBJGSUUVZMOX-UHFFFAOYSA-N 0 0 431.561 5.363 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001185553 555673917 /nfs/dbraw/zinc/67/39/17/555673917.db2.gz RYWKGIBPEIZAKJ-UHFFFAOYSA-N 0 0 433.722 6.080 50 0 IKAARN COC(=O)c1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(C(=O)OC)c1 ZINC000001186023 555674302 /nfs/dbraw/zinc/67/43/02/555674302.db2.gz DRYFJLUSUYMKCF-UHFFFAOYSA-N 0 0 448.258 5.079 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001185910 555674324 /nfs/dbraw/zinc/67/43/24/555674324.db2.gz ZAXNEYBAEQIZQV-UHFFFAOYSA-N 0 0 441.256 5.657 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1Cl ZINC000001185918 555674343 /nfs/dbraw/zinc/67/43/43/555674343.db2.gz OWMOOGWCMYBEOI-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CCOc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(OCC)c1OCC ZINC000001189125 555675171 /nfs/dbraw/zinc/67/51/71/555675171.db2.gz QVFXVIJWUFWNAP-UHFFFAOYSA-N 0 0 432.731 6.095 50 0 IKAARN COc1cc(Nc2nc(-c3ccc(Br)cc3)cs2)c(OC)cc1Cl ZINC000001194079 555676399 /nfs/dbraw/zinc/67/63/99/555676399.db2.gz CMXGGMKUJJDFGF-UHFFFAOYSA-N 0 0 425.735 5.987 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3cccc(Br)c3)c3ccccc3n2)c1 ZINC000001200094 555678194 /nfs/dbraw/zinc/67/81/94/555678194.db2.gz ZRDANYPJQTYYND-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000001200404 555678205 /nfs/dbraw/zinc/67/82/05/555678205.db2.gz KAODXHQWHWLVNZ-UHFFFAOYSA-N 0 0 447.288 5.645 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)c(OC)c1 ZINC000001200248 555678215 /nfs/dbraw/zinc/67/82/15/555678215.db2.gz REQXNNQTJIPMLL-UHFFFAOYSA-N 0 0 436.870 5.964 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C(C)C)c3ccccc3n2)c(OC)c1 ZINC000001200339 555678221 /nfs/dbraw/zinc/67/82/21/555678221.db2.gz PKZHUKWSGOVGCD-UHFFFAOYSA-N 0 0 426.516 6.295 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)c(OC)c1 ZINC000001200158 555678232 /nfs/dbraw/zinc/67/82/32/555678232.db2.gz JLIFWHWFLIZYDF-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000001200107 555678242 /nfs/dbraw/zinc/67/82/42/555678242.db2.gz DBFSVWMQZQFDML-UHFFFAOYSA-N 0 0 445.316 6.119 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C(N)=O)C1 ZINC000001200962 555678521 /nfs/dbraw/zinc/67/85/21/555678521.db2.gz ZYUYNBUEZPPUQP-LBPRGKRZSA-N 0 0 434.989 5.302 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1ccccc1Cl ZINC000001203621 555679367 /nfs/dbraw/zinc/67/93/67/555679367.db2.gz MXXGWQWBBNYTLL-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1)c1ccccc1 ZINC000001204247 555679659 /nfs/dbraw/zinc/67/96/59/555679659.db2.gz VQEGENQZLHTDDZ-UHFFFAOYSA-N 0 0 445.316 6.107 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000001206434 555680596 /nfs/dbraw/zinc/68/05/96/555680596.db2.gz DTQILFCGSKJKIK-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3cccc(Cl)c3)c2cc1OC ZINC000001208161 555681180 /nfs/dbraw/zinc/68/11/80/555681180.db2.gz UEXHAYBNDLCBEC-UHFFFAOYSA-N 0 0 429.907 6.220 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000001208358 555681277 /nfs/dbraw/zinc/68/12/77/555681277.db2.gz LSVOKBHDMJNUOF-UHFFFAOYSA-N 0 0 429.259 5.525 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1Br ZINC000001208224 555681309 /nfs/dbraw/zinc/68/13/09/555681309.db2.gz ILGDDTRSJPDYAC-UHFFFAOYSA-N 0 0 439.265 5.224 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001208934 555681574 /nfs/dbraw/zinc/68/15/74/555681574.db2.gz PRFQDZSSCWVFLX-UHFFFAOYSA-N 0 0 435.936 5.929 50 0 IKAARN CC(C)C(=O)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000001208571 555681611 /nfs/dbraw/zinc/68/16/11/555681611.db2.gz ZDLSENSAZHJJAW-UHFFFAOYSA-N 0 0 440.668 5.347 50 0 IKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000001209830 555681918 /nfs/dbraw/zinc/68/19/18/555681918.db2.gz HBKUZCMNLNTBSU-UHFFFAOYSA-N 0 0 427.291 5.378 50 0 IKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)cc1)cc2Br ZINC000001209684 555681931 /nfs/dbraw/zinc/68/19/31/555681931.db2.gz GYTGJQUYEFYIOF-UHFFFAOYSA-N 0 0 442.718 5.161 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)C1c3ccccc3C2c2ccccc21 ZINC000001214779 555683661 /nfs/dbraw/zinc/68/36/61/555683661.db2.gz SEXLYWQKHFRDOA-XQOSCOKLSA-N 0 0 427.503 5.750 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000001214961 555683673 /nfs/dbraw/zinc/68/36/73/555683673.db2.gz XYCPDAQFVKWUFK-MRXNPFEDSA-N 0 0 434.561 5.776 50 0 IKAARN O=C(C=Cc1ccco1)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000001215974 555683993 /nfs/dbraw/zinc/68/39/93/555683993.db2.gz BPBLGAAYXSVWEY-FYWRMAATSA-N 0 0 433.467 5.706 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(I)cc1Cl ZINC000001217288 555684502 /nfs/dbraw/zinc/68/45/02/555684502.db2.gz NAGLWVYMZHMYRX-UHFFFAOYSA-N 0 0 446.071 5.905 50 0 IKAARN COc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1NC(=O)c1ccco1 ZINC000001218603 555685061 /nfs/dbraw/zinc/68/50/61/555685061.db2.gz RULZHMHQAJRPLX-UHFFFAOYSA-N 0 0 435.263 5.108 50 0 IKAARN O=C(Nc1ccc(I)cc1Cl)c1cccc(Cl)c1Cl ZINC000001218743 555685106 /nfs/dbraw/zinc/68/51/06/555685106.db2.gz PJVRNHXMJCKRMP-UHFFFAOYSA-N 0 0 426.468 5.504 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000001220093 555685431 /nfs/dbraw/zinc/68/54/31/555685431.db2.gz RKEFNHLUYMRFKU-UHFFFAOYSA-N 0 0 426.847 5.424 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001220124 555685434 /nfs/dbraw/zinc/68/54/34/555685434.db2.gz MTQKUUXQTCRRRM-UHFFFAOYSA-N 0 0 427.740 5.712 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1Br ZINC000001229566 555686240 /nfs/dbraw/zinc/68/62/40/555686240.db2.gz LTPMZRIZBAVBEM-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1I ZINC000001228827 555686288 /nfs/dbraw/zinc/68/62/88/555686288.db2.gz PJGNAKLMRMKVJE-UHFFFAOYSA-N 0 0 440.240 5.352 50 0 IKAARN COC(=O)[C@H](NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1ccccc1 ZINC000001230017 555686544 /nfs/dbraw/zinc/68/65/44/555686544.db2.gz XTJIJVBLZUMMSF-JOCHJYFZSA-N 0 0 431.598 5.249 50 0 IKAARN CCOc1ccc(C(=O)CSc2nnc(SCc3ccc(OC)cc3)s2)cc1 ZINC000001254874 555687737 /nfs/dbraw/zinc/68/77/37/555687737.db2.gz VFNLMZZJTKEPMU-UHFFFAOYSA-N 0 0 432.592 5.213 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c(C)c1 ZINC000001268573 555688720 /nfs/dbraw/zinc/68/87/20/555688720.db2.gz SCSFWYQQNMHJQE-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)Nc1ccc(F)c(F)c1 ZINC000001297836 555689353 /nfs/dbraw/zinc/68/93/53/555689353.db2.gz PUTKVMGCXCSBOE-UHFFFAOYSA-N 0 0 443.953 5.493 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1C ZINC000001300764 555689371 /nfs/dbraw/zinc/68/93/71/555689371.db2.gz BBBXWWLRATXFDD-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1C ZINC000001302606 555689373 /nfs/dbraw/zinc/68/93/73/555689373.db2.gz JHLWPEUVUHWNSS-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000001302109 555689375 /nfs/dbraw/zinc/68/93/75/555689375.db2.gz LCTWVIYNECCRKN-UHFFFAOYSA-N 0 0 443.743 6.030 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(Cl)cc4)sc3n2)c1 ZINC000001309933 555689718 /nfs/dbraw/zinc/68/97/18/555689718.db2.gz HDTACFAQHDSHQE-UHFFFAOYSA-N 0 0 437.952 5.180 50 0 IKAARN Nc1c(Br)cc2oc(-c3ccc(Cl)cc3Cl)nc2c1Br ZINC000001307179 555689726 /nfs/dbraw/zinc/68/97/26/555689726.db2.gz WKCHVERQCDPNET-UHFFFAOYSA-N 0 0 436.918 5.909 50 0 IKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001324217 555690007 /nfs/dbraw/zinc/69/00/07/555690007.db2.gz FBFIOAUPPGYZJE-UHFFFAOYSA-N 0 0 440.783 5.609 50 0 IKAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000010537005 555693712 /nfs/dbraw/zinc/69/37/12/555693712.db2.gz NJQIBGDPGLWNMT-NDEPHWFRSA-N 0 0 449.510 5.059 50 0 IKAARN COc1cc(Br)cc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000001407909 555694040 /nfs/dbraw/zinc/69/40/40/555694040.db2.gz GAWJMJYFQHTHOO-LAUBAEHRSA-N 0 0 443.272 5.432 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000001413843 555694604 /nfs/dbraw/zinc/69/46/04/555694604.db2.gz RUVOTHRZGZSYSK-UHFFFAOYSA-N 0 0 445.475 5.815 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000001413844 555694669 /nfs/dbraw/zinc/69/46/69/555694669.db2.gz QCLBZRGXNKOTHR-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1Br ZINC000001413860 555694896 /nfs/dbraw/zinc/69/48/96/555694896.db2.gz IYOZNNXKPCKXMF-UHFFFAOYSA-N 0 0 441.256 5.657 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc3o2)cc1 ZINC000001413898 555694919 /nfs/dbraw/zinc/69/49/19/555694919.db2.gz DRNGNHZMWPDLSG-UHFFFAOYSA-N 0 0 430.504 5.953 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)cc1 ZINC000001413987 555694948 /nfs/dbraw/zinc/69/49/48/555694948.db2.gz PTMYEIRLOMYVBH-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)c1 ZINC000001413984 555694975 /nfs/dbraw/zinc/69/49/75/555694975.db2.gz HVXAAHFFVGTVAP-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000001413880 555694986 /nfs/dbraw/zinc/69/49/86/555694986.db2.gz UEPKHJPFVVKWFH-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]3CCC1 ZINC000001423348 555695664 /nfs/dbraw/zinc/69/56/64/555695664.db2.gz FYEJBHLFNVNLCY-FQEVSTJZSA-N 0 0 434.483 5.050 50 0 IKAARN Cc1nc2ccccc2nc1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000001426995 555695806 /nfs/dbraw/zinc/69/58/06/555695806.db2.gz WFUZATAGYHCFGJ-UHFFFAOYSA-N 0 0 428.492 5.069 50 0 IKAARN CC(C)(C)C(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000001428322 555696154 /nfs/dbraw/zinc/69/61/54/555696154.db2.gz XZLQEVNNNXOKSG-UHFFFAOYSA-N 0 0 430.371 5.404 50 0 IKAARN COc1c(C)cc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001431966 555696569 /nfs/dbraw/zinc/69/65/69/555696569.db2.gz ABUMZSAITJVKFU-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN COc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000001439862 555697445 /nfs/dbraw/zinc/69/74/45/555697445.db2.gz JDUYQSHHONGQLF-ZEQRLZLVSA-N 0 0 437.923 5.510 50 0 IKAARN O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1cccc(I)c1 ZINC000001442233 555697808 /nfs/dbraw/zinc/69/78/08/555697808.db2.gz XWSMGXGXLYQZRG-CQSZACIVSA-N 0 0 432.088 5.205 50 0 IKAARN CCC(=O)Nc1nnc(-c2ccc(Cn3c4ccccc4nc3-c3cncs3)cc2)s1 ZINC000001445827 555698726 /nfs/dbraw/zinc/69/87/26/555698726.db2.gz KYMRLGCSRUHLQB-UHFFFAOYSA-N 0 0 446.561 5.075 50 0 IKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001447506 555699196 /nfs/dbraw/zinc/69/91/96/555699196.db2.gz LCACYPYGCXZSBM-UHFFFAOYSA-N 0 0 441.343 5.611 50 0 IKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccc3c(c2)OCO3)cc1 ZINC000001447521 555699201 /nfs/dbraw/zinc/69/92/01/555699201.db2.gz CQTKBKLQUYPFHP-UHFFFAOYSA-N 0 0 438.462 5.567 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1c1ccccc1 ZINC000001448242 555699629 /nfs/dbraw/zinc/69/96/29/555699629.db2.gz KCPZALYPRVFHHM-QGZVFWFLSA-N 0 0 436.342 5.912 50 0 IKAARN CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000001448760 555699648 /nfs/dbraw/zinc/69/96/48/555699648.db2.gz JWLKURGCMIHCEW-QFIPXVFZSA-N 0 0 440.565 5.031 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccc(NC(C)=O)cc2)cc1 ZINC000001447648 555699659 /nfs/dbraw/zinc/69/96/59/555699659.db2.gz PAUAMTOHSHEHOB-UHFFFAOYSA-N 0 0 449.514 5.798 50 0 IKAARN COc1ccc([C@@H]2Cc3[nH]c(C(=O)OC4CCCCCC4)c(C)c3C(=O)C2)cc1OC ZINC000001461231 555700564 /nfs/dbraw/zinc/70/05/64/555700564.db2.gz KCMMWZSGMDXQHY-QGZVFWFLSA-N 0 0 425.525 5.133 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(C)cc3)nnc2-c2cccnc2)cc1 ZINC000001476615 555701434 /nfs/dbraw/zinc/70/14/34/555701434.db2.gz HSIFXEVXSURWLD-UHFFFAOYSA-N 0 0 430.533 5.011 50 0 IKAARN c1c(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000001648782 555708197 /nfs/dbraw/zinc/70/81/97/555708197.db2.gz FKQHQXPHXKOCFM-UHFFFAOYSA-N 0 0 438.534 7.059 50 0 IKAARN CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000001676503 555708899 /nfs/dbraw/zinc/70/88/99/555708899.db2.gz PDLPMCXGPIVYQQ-UHFFFAOYSA-N 0 0 438.504 7.927 50 0 IKAARN c1ccc(N2CCN(c3ccccc3)C2=C2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000001723333 555710885 /nfs/dbraw/zinc/71/08/85/555710885.db2.gz PIKIZMYRKVCCBT-UHFFFAOYSA-N 0 0 444.582 6.167 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CC[C@@H](C)C2 ZINC000001747157 555712066 /nfs/dbraw/zinc/71/20/66/555712066.db2.gz OCQYGIDAWHUADK-LLVKDONJSA-N 0 0 442.364 5.374 50 0 IKAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccc(Br)cc1 ZINC000001750931 555712390 /nfs/dbraw/zinc/71/23/90/555712390.db2.gz ZEZFYBFOURXXSM-UHFFFAOYSA-N 0 0 442.165 6.056 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001752393 555712407 /nfs/dbraw/zinc/71/24/07/555712407.db2.gz TXHAWOCRWOMNKB-UHFFFAOYSA-N 0 0 445.146 5.608 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000001768490 555713013 /nfs/dbraw/zinc/71/30/13/555713013.db2.gz CKKFMODRGHCWCF-UKTHLTGXSA-N 0 0 428.315 6.233 50 0 IKAARN COC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1cccc3ccccc31)c2=O ZINC000001770076 555713066 /nfs/dbraw/zinc/71/30/66/555713066.db2.gz NYXNIDHQYRGVBN-CYBMUJFWSA-N 0 0 442.389 5.572 50 0 IKAARN COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000001765752 555713092 /nfs/dbraw/zinc/71/30/92/555713092.db2.gz DUTWKLDHRHIFKD-UHFFFAOYSA-N 0 0 443.616 6.841 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OCCc3ccccc3)cc2oc1C(F)(F)F ZINC000001769150 555713099 /nfs/dbraw/zinc/71/30/99/555713099.db2.gz FTLBDTLBXGUBKB-UHFFFAOYSA-N 0 0 440.417 6.109 50 0 IKAARN CCCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001769104 555713129 /nfs/dbraw/zinc/71/31/29/555713129.db2.gz FIXHMEZOHYBVSW-UHFFFAOYSA-N 0 0 436.382 6.146 50 0 IKAARN CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771704 555713290 /nfs/dbraw/zinc/71/32/90/555713290.db2.gz JQXDWCYTZWMYPY-SFHVURJKSA-N 0 0 444.483 5.971 50 0 IKAARN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770148 555713346 /nfs/dbraw/zinc/71/33/46/555713346.db2.gz YLFWSYLKEACVPM-KRWDZBQOSA-N 0 0 438.520 5.993 50 0 IKAARN CC(C)OC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770264 555713395 /nfs/dbraw/zinc/71/33/95/555713395.db2.gz YMJSCBUHHFCDBN-UHFFFAOYSA-N 0 0 440.801 5.463 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SC/C=C/c2ccccc2)CCCC4)cc1 ZINC000001775101 555714103 /nfs/dbraw/zinc/71/41/03/555714103.db2.gz HZCPHIOAJBNKPR-JXMROGBWSA-N 0 0 444.625 6.440 50 0 IKAARN CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)CO1 ZINC000001778572 555714662 /nfs/dbraw/zinc/71/46/62/555714662.db2.gz KSTMRQHRUNZJDQ-FQEVSTJZSA-N 0 0 448.613 5.837 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1ccccc1C(F)(F)F ZINC000001783382 555714975 /nfs/dbraw/zinc/71/49/75/555714975.db2.gz IKOTYWLXRANRRJ-UHFFFAOYSA-N 0 0 445.491 6.108 50 0 IKAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001787022 555715226 /nfs/dbraw/zinc/71/52/26/555715226.db2.gz CYQIQGPIICOWHJ-ZDUSSCGKSA-N 0 0 431.216 5.019 50 0 IKAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001787021 555715315 /nfs/dbraw/zinc/71/53/15/555715315.db2.gz CYQIQGPIICOWHJ-CYBMUJFWSA-N 0 0 431.216 5.019 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)c3ccccc3Cl)cccc12)c1ccccc1Cl ZINC000001794351 555716330 /nfs/dbraw/zinc/71/63/30/555716330.db2.gz VFUKMJKZIHPTBY-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 ZINC000001797212 555716600 /nfs/dbraw/zinc/71/66/00/555716600.db2.gz OSZXQRCMQMAGHU-LCUIJRPUSA-N 0 0 430.598 7.045 50 0 IKAARN CCCCCOc1ccc(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC ZINC000001799596 555716644 /nfs/dbraw/zinc/71/66/44/555716644.db2.gz AJAXFOHPLCQVEG-PKNBQFBNSA-N 0 0 433.932 5.587 50 0 IKAARN Cc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000001803611 555717245 /nfs/dbraw/zinc/71/72/45/555717245.db2.gz QKVXERDXEIKVLM-LJQANCHMSA-N 0 0 442.650 5.991 50 0 IKAARN CC(C)c1nc2sc3c(c2c(=O)n1N)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000001812425 555718183 /nfs/dbraw/zinc/71/81/83/555718183.db2.gz MHHNOAAPAKEYPH-AZUAARDMSA-N 0 0 433.602 5.415 50 0 IKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)Nc1ccc(F)cc1 ZINC000001816968 555718416 /nfs/dbraw/zinc/71/84/16/555718416.db2.gz OUGBKLRCWYLTNW-UHFFFAOYSA-N 0 0 441.578 5.854 50 0 IKAARN COc1ccccc1-n1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000001815748 555718425 /nfs/dbraw/zinc/71/84/25/555718425.db2.gz FNHFCMPAECLYIT-UHFFFAOYSA-N 0 0 434.586 5.279 50 0 IKAARN Clc1ccc(CSc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000001823659 555718650 /nfs/dbraw/zinc/71/86/50/555718650.db2.gz VUHWUHCEMUBBHG-UHFFFAOYSA-N 0 0 433.838 7.083 50 0 IKAARN CCCCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)c(Cl)c1)CCC3 ZINC000001825896 555718778 /nfs/dbraw/zinc/71/87/78/555718778.db2.gz UHRUVUAAWIFZRK-UHFFFAOYSA-N 0 0 439.433 6.346 50 0 IKAARN CC(C)Oc1ccc(CSc2nc3sc4c(c3c(N)n2)CC(C)(C)SC4)cc1 ZINC000001819333 555718810 /nfs/dbraw/zinc/71/88/10/555718810.db2.gz PJMHNGUKTYYVTH-UHFFFAOYSA-N 0 0 431.652 5.921 50 0 IKAARN COc1ccc([C@@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)c(OC)c1 ZINC000001830425 555719053 /nfs/dbraw/zinc/71/90/53/555719053.db2.gz OKIAZOMAPKQHLM-QHCPKHFHSA-N 0 0 435.501 6.353 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000001835837 555719302 /nfs/dbraw/zinc/71/93/02/555719302.db2.gz MAHNXBOQBNJEIM-UHFFFAOYSA-N 0 0 448.613 5.899 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)cc2Cl)cc1 ZINC000001837129 555719337 /nfs/dbraw/zinc/71/93/37/555719337.db2.gz LQKJHEARRNSKPL-UHFFFAOYSA-N 0 0 443.355 5.993 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC(C)(C)OC3 ZINC000001837067 555719406 /nfs/dbraw/zinc/71/94/06/555719406.db2.gz STZUOUGXAMWWHH-UHFFFAOYSA-N 0 0 430.595 5.199 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4ccccc4c3)c3ccccc3n2)cc1 ZINC000001838203 555719688 /nfs/dbraw/zinc/71/96/88/555719688.db2.gz SNLGNBQGIUANOC-UHFFFAOYSA-N 0 0 447.490 6.103 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)c(C)c1 ZINC000001839174 555719728 /nfs/dbraw/zinc/71/97/28/555719728.db2.gz FQGFYCZAJFSXMW-UHFFFAOYSA-N 0 0 431.586 6.015 50 0 IKAARN Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001840630 555720021 /nfs/dbraw/zinc/72/00/21/555720021.db2.gz BOVGMPNZJPENGM-UHFFFAOYSA-N 0 0 443.355 6.841 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000001840571 555720182 /nfs/dbraw/zinc/72/01/82/555720182.db2.gz FLTPYVHUPMPAHF-UHFFFAOYSA-N 0 0 440.465 6.137 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)cc1 ZINC000001850939 555720527 /nfs/dbraw/zinc/72/05/27/555720527.db2.gz VJVBBBKLNWBSPL-UHFFFAOYSA-N 0 0 427.264 5.711 50 0 IKAARN CC(C)N(C(=O)Cn1c2ccccc2nc1-c1cccc(Br)c1)c1ccccc1 ZINC000001898752 555723238 /nfs/dbraw/zinc/72/32/38/555723238.db2.gz CTELJAMPKDUCAQ-UHFFFAOYSA-N 0 0 448.364 5.907 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000001895640 555723256 /nfs/dbraw/zinc/72/32/56/555723256.db2.gz ODAXARQMSKBSIX-OAQYLSRUSA-N 0 0 437.586 5.886 50 0 IKAARN CCCc1cc2c(cc1OCC(=O)c1ccc3ccccc3c1)oc(=O)cc2-c1ccccc1 ZINC000001902743 555723503 /nfs/dbraw/zinc/72/35/03/555723503.db2.gz JWIPQZWYZHAXOQ-UHFFFAOYSA-N 0 0 448.518 6.827 50 0 IKAARN CCCCc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000001911470 555724175 /nfs/dbraw/zinc/72/41/75/555724175.db2.gz UUSLUGNSEPZYFD-UHFFFAOYSA-N 0 0 430.548 5.916 50 0 IKAARN CCCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4CC)c(=O)c23)cc1 ZINC000001912022 555724413 /nfs/dbraw/zinc/72/44/13/555724413.db2.gz LENIHXFHAZUKDV-UHFFFAOYSA-N 0 0 447.560 5.115 50 0 IKAARN CCOc1ccccc1OCC(=O)Oc1ccc(-c2ccccc2)cc1Br ZINC000001912875 555724479 /nfs/dbraw/zinc/72/44/79/555724479.db2.gz BELFYCCRSDSSON-UHFFFAOYSA-N 0 0 427.294 5.499 50 0 IKAARN Cc1ccc(OCC(=O)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)c(C)c1 ZINC000001916542 555724671 /nfs/dbraw/zinc/72/46/71/555724671.db2.gz DLNNHZZZUHXXIU-UHFFFAOYSA-N 0 0 444.314 5.847 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(OC(=O)COc3ccccc3C(C)(C)C)cc2)c(C)c1 ZINC000001916537 555724736 /nfs/dbraw/zinc/72/47/36/555724736.db2.gz LZGDFMJVAQDUGW-UHFFFAOYSA-N 0 0 431.532 5.838 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc2ccccc21 ZINC000001921900 555725029 /nfs/dbraw/zinc/72/50/29/555725029.db2.gz CGTWIZSORFTVRP-UHFFFAOYSA-N 0 0 435.932 6.651 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccc2ccccc21 ZINC000001921906 555725125 /nfs/dbraw/zinc/72/51/25/555725125.db2.gz GEOIKDNBHGUMDG-UHFFFAOYSA-N 0 0 445.540 6.396 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001944541 555726053 /nfs/dbraw/zinc/72/60/53/555726053.db2.gz DFYWFTXMTIWCNU-ZDUSSCGKSA-N 0 0 435.973 5.357 50 0 IKAARN Cc1ccccc1NC(=O)NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001951391 555726281 /nfs/dbraw/zinc/72/62/81/555726281.db2.gz VWIZADUYVSRMTB-UHFFFAOYSA-N 0 0 441.573 6.496 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000001946655 555726339 /nfs/dbraw/zinc/72/63/39/555726339.db2.gz OBMBBVUZRMCXQY-UHFFFAOYSA-N 0 0 430.353 5.646 50 0 IKAARN COc1cc(-c2nnc(C3(c4ccccc4Cl)CCOCC3)o2)ccc1OC(C)C ZINC000071889723 555726584 /nfs/dbraw/zinc/72/65/84/555726584.db2.gz YYJDJGQSYAPVGD-UHFFFAOYSA-N 0 0 428.916 5.282 50 0 IKAARN CCCCCCc1cc2c(cc1OC)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000002029170 555727960 /nfs/dbraw/zinc/72/79/60/555727960.db2.gz QYXAHCQONNVKDF-UHFFFAOYSA-N 0 0 429.354 6.662 50 0 IKAARN FC(F)(F)C1(C(F)(F)F)N=C(c2ccc(Cl)cc2)N2C=C(Cl)C=C(Cl)C2=N1 ZINC000002050282 555728692 /nfs/dbraw/zinc/72/86/92/555728692.db2.gz YMDMRUZTFWFSGX-UHFFFAOYSA-N 0 0 448.581 5.838 50 0 IKAARN COc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000002049925 555728735 /nfs/dbraw/zinc/72/87/35/555728735.db2.gz OJDJYXAZWKEWAI-UHFFFAOYSA-N 0 0 432.321 6.325 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000002050799 555728870 /nfs/dbraw/zinc/72/88/70/555728870.db2.gz HYSFLNPEXYXZRQ-UHFFFAOYSA-N 0 0 436.511 7.079 50 0 IKAARN CC(C)CCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000002050807 555728993 /nfs/dbraw/zinc/72/89/93/555728993.db2.gz HXNKFQMSGLTGFV-UHFFFAOYSA-N 0 0 427.500 6.137 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c2ccccc12 ZINC000002050732 555729011 /nfs/dbraw/zinc/72/90/11/555729011.db2.gz DNTIHYZEWNADBP-UHFFFAOYSA-N 0 0 447.321 7.516 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1C ZINC000002052334 555729194 /nfs/dbraw/zinc/72/91/94/555729194.db2.gz NQXVSUGAIPOQLV-UHFFFAOYSA-N 0 0 431.586 6.015 50 0 IKAARN Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1-c1nc2ccccc2s1 ZINC000002052323 555729244 /nfs/dbraw/zinc/72/92/44/555729244.db2.gz ADLNNJKUJFUCEI-UHFFFAOYSA-N 0 0 434.564 7.042 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000002052134 555729272 /nfs/dbraw/zinc/72/92/72/555729272.db2.gz GFWUQJYTDKCOQO-UHFFFAOYSA-N 0 0 436.364 6.195 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccccc4C)c3)oc2c1 ZINC000002052366 555729565 /nfs/dbraw/zinc/72/95/65/555729565.db2.gz DNFDYNSTOTXQHT-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1ccc(N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002053435 555729580 /nfs/dbraw/zinc/72/95/80/555729580.db2.gz MYEIOJUTKUYFDY-HNNXBMFYSA-N 0 0 436.564 5.296 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)c1 ZINC000002052380 555729615 /nfs/dbraw/zinc/72/96/15/555729615.db2.gz BULACJHETLTYOU-UHFFFAOYSA-N 0 0 435.387 5.372 50 0 IKAARN O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054608 555729774 /nfs/dbraw/zinc/72/97/74/555729774.db2.gz LPGJHLGEVWLYMU-AWEZNQCLSA-N 0 0 446.976 6.185 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002054650 555730079 /nfs/dbraw/zinc/73/00/79/555730079.db2.gz VPQLRIJOOHBXQR-QGZVFWFLSA-N 0 0 434.194 6.176 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1Br ZINC000002055621 555730592 /nfs/dbraw/zinc/73/05/92/555730592.db2.gz RNKJDQOJWXQZCC-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(Br)ccc1Cl ZINC000002056902 555730882 /nfs/dbraw/zinc/73/08/82/555730882.db2.gz GDHUJIZAWWKMEV-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3Cl)oc2cc1C ZINC000002056920 555730906 /nfs/dbraw/zinc/73/09/06/555730906.db2.gz FXBPANDESRTHEO-UHFFFAOYSA-N 0 0 445.733 7.324 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3Cl)oc2cc1C ZINC000002056921 555730916 /nfs/dbraw/zinc/73/09/16/555730916.db2.gz OSBXTCNZBJGWBJ-UHFFFAOYSA-N 0 0 445.733 7.324 50 0 IKAARN O=C1N2c3ccccc3S[C@H](c3ccccc3)C[C@]2(c2ccccc2)C1(Cl)Cl ZINC000002057579 555731118 /nfs/dbraw/zinc/73/11/18/555731118.db2.gz JDCYQYZPZYWWID-UNMCSNQZSA-N 0 0 426.368 6.340 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002057806 555731122 /nfs/dbraw/zinc/73/11/22/555731122.db2.gz QNLPZHWPALASGQ-UHFFFAOYSA-N 0 0 439.942 6.732 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000002057012 555731155 /nfs/dbraw/zinc/73/11/55/555731155.db2.gz PTFUQOJUFHJUOC-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN Cc1cc2c(cc1C)CSC(c1c(O)ccc3cc(Br)ccc31)SC2 ZINC000002060212 555731630 /nfs/dbraw/zinc/73/16/30/555731630.db2.gz HRXLPQIVXRLKQP-UHFFFAOYSA-N 0 0 431.420 7.104 50 0 IKAARN CC(C)(C)c1cc(OC(=O)c2ccc(Br)cc2Br)ccc1O ZINC000002061871 555732254 /nfs/dbraw/zinc/73/22/54/555732254.db2.gz NKDJBDJRMYYEFU-UHFFFAOYSA-N 0 0 428.120 5.434 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC1c2ccccc2-c2ccccc21 ZINC000002061764 555732302 /nfs/dbraw/zinc/73/23/02/555732302.db2.gz YBNRPJYYNKKRIC-UHFFFAOYSA-N 0 0 433.718 6.381 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C ZINC000002064413 555733065 /nfs/dbraw/zinc/73/30/65/555733065.db2.gz UGMIGAHLEZKVJV-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1nn([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)c(C)c1Br ZINC000002066541 555733691 /nfs/dbraw/zinc/73/36/91/555733691.db2.gz LRAYIWRWBBECSM-DEOSSOPVSA-N 0 0 447.376 5.788 50 0 IKAARN Cc1c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000002067623 555733692 /nfs/dbraw/zinc/73/36/92/555733692.db2.gz VCFWXCZZBVUGEN-UHFFFAOYSA-N 0 0 435.420 5.162 50 0 IKAARN Cc1ccc(NC(=O)C(Nc2ccc(C)c(C)c2)(c2ccccc2)c2ccccc2)cc1C ZINC000002068506 555733924 /nfs/dbraw/zinc/73/39/24/555733924.db2.gz FSQUGNCJNOIPCR-UHFFFAOYSA-N 0 0 434.583 6.915 50 0 IKAARN COc1ccc(C(=O)N[C@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002068925 555733987 /nfs/dbraw/zinc/73/39/87/555733987.db2.gz IRAVZYYLCDHQNW-HNNXBMFYSA-N 0 0 442.557 5.540 50 0 IKAARN CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002069130 555734203 /nfs/dbraw/zinc/73/42/03/555734203.db2.gz DFOPKISIUSUHFT-LJQANCHMSA-N 0 0 438.637 5.910 50 0 biogenic IKAARN Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002069555 555734213 /nfs/dbraw/zinc/73/42/13/555734213.db2.gz KVHVLUHIRVBCDO-UHFFFAOYSA-N 0 0 443.587 7.062 50 0 IKAARN CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002069129 555734221 /nfs/dbraw/zinc/73/42/21/555734221.db2.gz DFOPKISIUSUHFT-IBGZPJMESA-N 0 0 438.637 5.910 50 0 biogenic IKAARN C[C@H](C(=O)Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000002069551 555734226 /nfs/dbraw/zinc/73/42/26/555734226.db2.gz JGTOQUVFBARBTO-FQEVSTJZSA-N 0 0 433.507 5.891 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)cc2)c1C ZINC000002069591 555734248 /nfs/dbraw/zinc/73/42/48/555734248.db2.gz UPSWZMOQIPKGRO-UHFFFAOYSA-N 0 0 448.566 7.092 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000002069745 555734565 /nfs/dbraw/zinc/73/45/65/555734565.db2.gz IWYZIDFIPXUFDJ-UHFFFAOYSA-N 0 0 434.967 6.759 50 0 IKAARN CC(C)(c1ccc(OC(=O)c2cccs2)cc1)c1ccc(OC(=O)c2cccs2)cc1 ZINC000002070154 555734617 /nfs/dbraw/zinc/73/46/17/555734617.db2.gz COYFWRVUOIKYDO-UHFFFAOYSA-N 0 0 448.565 6.574 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1N[C@@H](NC(=O)CC)C(Cl)(Cl)Cl ZINC000002071623 555734845 /nfs/dbraw/zinc/73/48/45/555734845.db2.gz LGTAJHWETJSCHX-QGZVFWFLSA-N 0 0 449.787 5.226 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1N[C@H](NC(=O)CC)C(Cl)(Cl)Cl ZINC000002071624 555734826 /nfs/dbraw/zinc/73/48/26/555734826.db2.gz LGTAJHWETJSCHX-KRWDZBQOSA-N 0 0 449.787 5.226 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@H](CC)c2ccccc2)c1 ZINC000002073509 555735316 /nfs/dbraw/zinc/73/53/16/555735316.db2.gz YTILSNLMTPYXON-LJQANCHMSA-N 0 0 436.939 6.123 50 0 IKAARN CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000002073489 555735354 /nfs/dbraw/zinc/73/53/54/555735354.db2.gz MAXVEQKGHYJXFJ-UHFFFAOYSA-N 0 0 448.994 6.277 50 0 IKAARN Cc1cccc(NC(=O)c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)c1 ZINC000002073498 555735391 /nfs/dbraw/zinc/73/53/91/555735391.db2.gz MVSQECPUFDHJBP-UHFFFAOYSA-N 0 0 434.539 6.408 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)cc1C ZINC000002074098 555735627 /nfs/dbraw/zinc/73/56/27/555735627.db2.gz OOGVYDNKYYFRMU-UHFFFAOYSA-N 0 0 433.964 6.298 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 ZINC000002074129 555735676 /nfs/dbraw/zinc/73/56/76/555735676.db2.gz UAHZWRRHOLPDDT-UHFFFAOYSA-N 0 0 441.000 6.008 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(C)=O)c1-c1ccccc1 ZINC000002075378 555735722 /nfs/dbraw/zinc/73/57/22/555735722.db2.gz RWGSQGNAKPHPCU-UHFFFAOYSA-N 0 0 427.909 5.700 50 0 IKAARN Cc1c2nc3ccccc3nc2n(N(c2ccccc2)c2ccccc2)c1-c1ccccc1 ZINC000002077702 555736013 /nfs/dbraw/zinc/73/60/13/555736013.db2.gz MSSFNGCCNILCAD-UHFFFAOYSA-N 0 0 426.523 7.161 50 0 IKAARN Cc1ccc(C)c(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000002078711 555736331 /nfs/dbraw/zinc/73/63/31/555736331.db2.gz BJNDSAKSGJZOMH-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000002078820 555736677 /nfs/dbraw/zinc/73/66/77/555736677.db2.gz PQCNVVOUABVRJD-UHFFFAOYSA-N 0 0 430.507 7.255 50 0 IKAARN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)Oc3ccc(C)c(C)c3)c2c1 ZINC000002079376 555736829 /nfs/dbraw/zinc/73/68/29/555736829.db2.gz UAMRZSMCVDQOSX-UHFFFAOYSA-N 0 0 446.344 6.809 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(C)cc32)cc1 ZINC000002079329 555736927 /nfs/dbraw/zinc/73/69/27/555736927.db2.gz XRVAMWZZZRLWHF-NRFANRHFSA-N 0 0 437.539 6.564 50 0 IKAARN CCc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)c3cc(C)ccc3n2)cc1 ZINC000002079478 555736934 /nfs/dbraw/zinc/73/69/34/555736934.db2.gz GPXDIUZCJXCJSK-FQEVSTJZSA-N 0 0 437.539 6.509 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 ZINC000002079587 555737203 /nfs/dbraw/zinc/73/72/03/555737203.db2.gz PITLMVUPENUSAB-UHFFFAOYSA-N 0 0 431.875 5.604 50 0 IKAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000002079586 555737204 /nfs/dbraw/zinc/73/72/04/555737204.db2.gz CQPYGSYCFGAZKO-UHFFFAOYSA-N 0 0 442.323 6.310 50 0 IKAARN COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)cc(Br)cc12 ZINC000002079563 555737207 /nfs/dbraw/zinc/73/72/07/555737207.db2.gz QQCLWCSSSQENFY-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 ZINC000002079588 555737215 /nfs/dbraw/zinc/73/72/15/555737215.db2.gz ACGUVHXXXTYAQG-QGZVFWFLSA-N 0 0 429.903 6.292 50 0 IKAARN COCCCNC(=O)c1c(C)c(-c2ccccc2)nc2c(C)cc(Br)cc21 ZINC000002079552 555737225 /nfs/dbraw/zinc/73/72/25/555737225.db2.gz PVGNNHPILHFEJP-UHFFFAOYSA-N 0 0 427.342 5.047 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)cc3)nc3c(Cl)cccc23)cc1 ZINC000002079591 555737229 /nfs/dbraw/zinc/73/72/29/555737229.db2.gz NLJIOWSIKSGJTJ-GOSISDBHSA-N 0 0 443.930 6.600 50 0 IKAARN COC(=O)c1ccc(OC(=O)c2cc(-c3ccc(OC)cc3)nc3c(C)cc(C)cc23)cc1 ZINC000002079741 555737485 /nfs/dbraw/zinc/73/74/85/555737485.db2.gz WZUYRSYNXBMNTI-UHFFFAOYSA-N 0 0 441.483 5.533 50 0 IKAARN Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)OCC(=O)c3ccc(F)cc3)c2C)cc1 ZINC000002079736 555737502 /nfs/dbraw/zinc/73/75/02/555737502.db2.gz LECAFGZXITYTGL-UHFFFAOYSA-N 0 0 427.475 6.006 50 0 IKAARN Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000002079653 555737554 /nfs/dbraw/zinc/73/75/54/555737554.db2.gz DAQJICUCHDRQSQ-UHFFFAOYSA-N 0 0 449.478 5.380 50 0 IKAARN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)c2c1 ZINC000002079820 555737833 /nfs/dbraw/zinc/73/78/33/555737833.db2.gz MKTJKASZDJKYQL-UHFFFAOYSA-N 0 0 438.527 6.282 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3cccc4ccccc43)c3cc(C)cc(C)c3n2)c1 ZINC000002079759 555737853 /nfs/dbraw/zinc/73/78/53/555737853.db2.gz DNWZJHISYAITRA-UHFFFAOYSA-N 0 0 432.523 6.933 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@H](C)C2 ZINC000002080081 555737870 /nfs/dbraw/zinc/73/78/70/555737870.db2.gz QGDYTFSYAXOKJR-NSHDSACASA-N 0 0 426.365 5.997 50 0 IKAARN CCCOc1c(Br)cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCC ZINC000002081281 555737871 /nfs/dbraw/zinc/73/78/71/555737871.db2.gz LOMKBUZBYNLDKX-LDADJPATSA-N 0 0 444.325 5.290 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2 ZINC000002081444 555738159 /nfs/dbraw/zinc/73/81/59/555738159.db2.gz MXBPSSYNRMLSGM-QFIPXVFZSA-N 0 0 428.517 5.946 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002082002 555738379 /nfs/dbraw/zinc/73/83/79/555738379.db2.gz INGIZCKEZNLYAO-UHFFFAOYSA-N 0 0 437.724 6.570 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1cc2ccccc2o1 ZINC000002083478 555738949 /nfs/dbraw/zinc/73/89/49/555738949.db2.gz PSQBSSIGMYIUCH-UHFFFAOYSA-N 0 0 433.529 6.714 50 0 IKAARN Brc1ccc(C2(c3nnc(Cc4ccc5ccccc5c4)o3)CCOCC2)cc1 ZINC000071889955 555739166 /nfs/dbraw/zinc/73/91/66/555739166.db2.gz VZJMXBGWFXUGNE-UHFFFAOYSA-N 0 0 449.348 5.673 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002083782 555739187 /nfs/dbraw/zinc/73/91/87/555739187.db2.gz QKBXXWORCREGAK-UHFFFAOYSA-N 0 0 441.745 7.423 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002084128 555739207 /nfs/dbraw/zinc/73/92/07/555739207.db2.gz NPELMCYHPDNKJR-UHFFFAOYSA-N 0 0 430.891 5.984 50 0 IKAARN Cc1cccc(COc2ccc(/C=C3/N=C(c4ccc(Br)cc4)OC3=O)cc2)c1 ZINC000002084826 555739470 /nfs/dbraw/zinc/73/94/70/555739470.db2.gz NOHBXQCJLHZBDZ-HYARGMPZSA-N 0 0 448.316 5.681 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OCC)c1)Nc1ccccc1-2 ZINC000002084592 555739471 /nfs/dbraw/zinc/73/94/71/555739471.db2.gz LNZFIKJEPNNFLF-NRFANRHFSA-N 0 0 438.553 5.428 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)CCCCCC2 ZINC000002084455 555739474 /nfs/dbraw/zinc/73/94/74/555739474.db2.gz MJDVIYHOXLBGME-UHFFFAOYSA-N 0 0 447.556 6.070 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1cc(OC)ccc1OC)Nc1ccccc1-2 ZINC000002084619 555739486 /nfs/dbraw/zinc/73/94/86/555739486.db2.gz IYLUZBNVKYQCCQ-NRFANRHFSA-N 0 0 438.553 5.341 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccccc1OCc1ccccc1)Nc1ccccc1-2 ZINC000002084913 555739723 /nfs/dbraw/zinc/73/97/23/555739723.db2.gz AJAYLZHLEPQHOI-QFIPXVFZSA-N 0 0 428.517 5.343 50 0 IKAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000002085134 555739755 /nfs/dbraw/zinc/73/97/55/555739755.db2.gz LSVZAVSMIBZIIH-QGZVFWFLSA-N 0 0 428.022 7.060 50 0 IKAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000002085135 555739775 /nfs/dbraw/zinc/73/97/75/555739775.db2.gz LSVZAVSMIBZIIH-KRWDZBQOSA-N 0 0 428.022 7.060 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002084931 555739784 /nfs/dbraw/zinc/73/97/84/555739784.db2.gz CGVOXHHSRATXNZ-CQSZACIVSA-N 0 0 433.545 5.232 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002085831 555739791 /nfs/dbraw/zinc/73/97/91/555739791.db2.gz XTBMDYYBTMHVML-UHFFFAOYSA-N 0 0 439.259 6.195 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCCCc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000002086656 555739996 /nfs/dbraw/zinc/73/99/96/555739996.db2.gz XPOKDQKYCHNRCL-UHFFFAOYSA-N 0 0 426.516 5.282 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1 ZINC000002086086 555739999 /nfs/dbraw/zinc/73/99/99/555739999.db2.gz XIDCYSCJWWAOGH-UHFFFAOYSA-N 0 0 435.354 6.755 50 0 IKAARN c1ccc2oc(-c3cc(-c4nc5ccccc5o4)cc(-c4nc5ccccc5o4)c3)nc2c1 ZINC000002086529 555740014 /nfs/dbraw/zinc/74/00/14/555740014.db2.gz UJGDDUUUOXGZDY-UHFFFAOYSA-N 0 0 429.435 7.111 50 0 IKAARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)c(OC)c1 ZINC000002087689 555740331 /nfs/dbraw/zinc/74/03/31/555740331.db2.gz JNSMSGKEJNFEBA-FGZHOGPDSA-N 0 0 426.310 5.697 50 0 IKAARN CC[C@H](C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C)c1ccccc1 ZINC000002087422 555740333 /nfs/dbraw/zinc/74/03/33/555740333.db2.gz OQNFAEUYGQCPKU-KRWDZBQOSA-N 0 0 431.554 5.319 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000002086839 555740338 /nfs/dbraw/zinc/74/03/38/555740338.db2.gz NZWMNTLWMXBVHW-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN Oc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1 ZINC000002086999 555740346 /nfs/dbraw/zinc/74/03/46/555740346.db2.gz PCAZKHLYCAMLFM-NRFANRHFSA-N 0 0 448.935 5.693 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002088308 555740515 /nfs/dbraw/zinc/74/05/15/555740515.db2.gz JGJKUOVGDRTTIY-UHFFFAOYSA-N 0 0 435.354 7.584 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002088278 555740542 /nfs/dbraw/zinc/74/05/42/555740542.db2.gz NJKAVASOUXSULQ-UHFFFAOYSA-N 0 0 445.360 7.040 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3cc(Br)ccc3n2)cc1 ZINC000002088849 555740806 /nfs/dbraw/zinc/74/08/06/555740806.db2.gz YUZRLHKMNJTWQG-UHFFFAOYSA-N 0 0 449.323 6.042 50 0 IKAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc(C)c1-c1ccc(C(C)C)cc1 ZINC000002089038 555740807 /nfs/dbraw/zinc/74/08/07/555740807.db2.gz ZUWFQQVJMVHTBM-INIZCTEOSA-N 0 0 437.561 6.040 50 0 IKAARN COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)c1 ZINC000002088822 555740808 /nfs/dbraw/zinc/74/08/08/555740808.db2.gz ZYHUGVGHHHJOFQ-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000002088971 555740813 /nfs/dbraw/zinc/74/08/13/555740813.db2.gz CDNLEYLXQKABOY-FQEVSTJZSA-N 0 0 433.573 5.769 50 0 IKAARN CCCc1ccc(-c2c(C)sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)OC)cc1 ZINC000002089549 555740817 /nfs/dbraw/zinc/74/08/17/555740817.db2.gz PKINZRRVJPEGAO-UHFFFAOYSA-N 0 0 442.968 6.760 50 0 IKAARN CCCOc1cccc(-c2cc(C(=O)Nc3cccc(C(=O)OC)c3)c3ccccc3n2)c1 ZINC000002088637 555740818 /nfs/dbraw/zinc/74/08/18/555740818.db2.gz BGZMCACCEOSXKP-UHFFFAOYSA-N 0 0 440.499 5.730 50 0 IKAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc(C)c1-c1ccc(C(C)C)cc1 ZINC000002089037 555740826 /nfs/dbraw/zinc/74/08/26/555740826.db2.gz ZUWFQQVJMVHTBM-MRXNPFEDSA-N 0 0 437.561 6.040 50 0 IKAARN CCCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)C1CCC1 ZINC000002089680 555740829 /nfs/dbraw/zinc/74/08/29/555740829.db2.gz HVHKBQXGBMIORY-UHFFFAOYSA-N 0 0 425.594 6.768 50 0 IKAARN COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000002093567 555741693 /nfs/dbraw/zinc/74/16/93/555741693.db2.gz PVSJCMUPJOPZIQ-UHFFFAOYSA-N 0 0 431.963 7.310 50 0 IKAARN Fc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000002093896 555741720 /nfs/dbraw/zinc/74/17/20/555741720.db2.gz ARBNSRWYAUDOQP-UHFFFAOYSA-N 0 0 433.910 7.463 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000002095388 555741951 /nfs/dbraw/zinc/74/19/51/555741951.db2.gz VMRPVGQIWLHQTB-UHFFFAOYSA-N 0 0 448.613 5.650 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(C)cc2)Nc2ccccc2-3)cc1 ZINC000002094578 555741962 /nfs/dbraw/zinc/74/19/62/555741962.db2.gz PSKZEBIQORVIIQ-QHCPKHFHSA-N 0 0 426.545 5.951 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002095468 555741988 /nfs/dbraw/zinc/74/19/88/555741988.db2.gz HUUCWWMARPJINZ-UHFFFAOYSA-N 0 0 445.931 6.832 50 0 IKAARN CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000002103080 555742599 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O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2ccccc2c1Br ZINC000002134642 555746841 /nfs/dbraw/zinc/74/68/41/555746841.db2.gz AJMTXFQJTRXVQX-UHFFFAOYSA-N 0 0 426.093 5.894 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 ZINC000002136960 555747315 /nfs/dbraw/zinc/74/73/15/555747315.db2.gz JZZHTVSPAAZJQH-XMHGGMMESA-N 0 0 442.540 5.317 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000002138398 555747574 /nfs/dbraw/zinc/74/75/74/555747574.db2.gz ZORZOQWBODSYAW-UXBLZVDNSA-N 0 0 427.262 6.593 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 ZINC000002138492 555747854 /nfs/dbraw/zinc/74/78/54/555747854.db2.gz ODKVGGUMVDQZJO-UHFFFAOYSA-N 0 0 444.487 5.735 50 0 IKAARN Clc1ccc(OCc2nc(-c3cc(-c4ccc(Cl)cc4Cl)no3)cs2)cc1 ZINC000002142070 555748168 /nfs/dbraw/zinc/74/81/68/555748168.db2.gz XVQNWXDCSPJNJJ-UHFFFAOYSA-N 0 0 437.735 7.004 50 0 IKAARN CCCOc1c(I)cc(C(=O)Nc2ccccc2C)cc1OCC ZINC000002140803 555748239 /nfs/dbraw/zinc/74/82/39/555748239.db2.gz 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441.506 5.632 50 0 IKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002177492 555752658 /nfs/dbraw/zinc/75/26/58/555752658.db2.gz MVOPESAGXIYHJG-AATYUJHQSA-N 0 0 436.382 7.111 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccc(C)cc2)N1c1ccc(N2CCCC2)cc1 ZINC000002177879 555752768 /nfs/dbraw/zinc/75/27/68/555752768.db2.gz KWADJGLMIMVVAH-NDEPHWFRSA-N 0 0 438.575 5.832 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)N=C2Oc2cccc3cccnc32)cc1 ZINC000002179781 555752986 /nfs/dbraw/zinc/75/29/86/555752986.db2.gz YWXVSRTVNVMQGM-JWGURIENSA-N 0 0 439.902 6.019 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(C)c1Br ZINC000002179135 555752991 /nfs/dbraw/zinc/75/29/91/555752991.db2.gz QSIJQBRDKISLNL-UHFFFAOYSA-N 0 0 436.655 5.756 50 0 IKAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(Oc3ccccc3)cc2)N1Cc1ccccc1 ZINC000002179265 555753006 /nfs/dbraw/zinc/75/30/06/555753006.db2.gz ZUEJOKPKJCCXHB-SANMLTNESA-N 0 0 442.540 5.794 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(-c3cc(Br)ccc3Br)o2)cc1 ZINC000002179672 555753043 /nfs/dbraw/zinc/75/30/43/555753043.db2.gz GTXVDOWXOTZCNQ-UHFFFAOYSA-N 0 0 436.147 6.226 50 0 IKAARN c1ccc(Cc2nc3sc4c(c3c(Sc3nc5ccccc5s3)n2)CCCC4)cc1 ZINC000002180571 555753409 /nfs/dbraw/zinc/75/34/09/555753409.db2.gz UXMSWEYMUBFREQ-UHFFFAOYSA-N 0 0 445.638 6.922 50 0 IKAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000002181179 555753726 /nfs/dbraw/zinc/75/37/26/555753726.db2.gz TVVYZLHHIDKRBO-UHFFFAOYSA-N 0 0 430.891 5.600 50 0 IKAARN CCOc1ccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nnc3Cl)cc1 ZINC000002181160 555753764 /nfs/dbraw/zinc/75/37/64/555753764.db2.gz OOAJYHKNPHQRBE-UHFFFAOYSA-N 0 0 426.907 6.202 50 0 IKAARN CCSc1nc2c(c(=O)n1Cc1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002181963 555753919 /nfs/dbraw/zinc/75/39/19/555753919.db2.gz VGAFIVGZFHJNAI-UHFFFAOYSA-N 0 0 446.616 5.837 50 0 IKAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 ZINC000002183011 555754246 /nfs/dbraw/zinc/75/42/46/555754246.db2.gz FPLCHLZURWQISD-UHFFFAOYSA-N 0 0 448.654 5.668 50 0 IKAARN Cc1cc(C)cc(-c2nnc3sc([C@H](C)c4ccc(-c5ccccc5)c(F)c4)nn32)c1 ZINC000002182987 555754253 /nfs/dbraw/zinc/75/42/53/555754253.db2.gz YGJHMAIMHJMMPB-QGZVFWFLSA-N 0 0 428.536 6.428 50 0 IKAARN CC(C)Sc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002183003 555754266 /nfs/dbraw/zinc/75/42/66/555754266.db2.gz NTAKMMRFLWZEFU-UHFFFAOYSA-N 0 0 430.617 6.217 50 0 biogenic IKAARN Cc1cc(C)cc(-c2nnc3sc([C@@H](C)c4ccc(-c5ccccc5)c(F)c4)nn32)c1 ZINC000002182986 555754270 /nfs/dbraw/zinc/75/42/70/555754270.db2.gz YGJHMAIMHJMMPB-KRWDZBQOSA-N 0 0 428.536 6.428 50 0 IKAARN Cc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002182472 555754273 /nfs/dbraw/zinc/75/42/73/555754273.db2.gz LROMYFQBAOULOQ-UHFFFAOYSA-N 0 0 433.722 6.460 50 0 IKAARN O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N12 ZINC000002182842 555754290 /nfs/dbraw/zinc/75/42/90/555754290.db2.gz ANVCILZLLNXAGY-KFGZODLXSA-N 0 0 441.383 6.501 50 0 IKAARN Cc1cc(C)cc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4-c4ccccc4)nn32)c1 ZINC000002182981 555754312 /nfs/dbraw/zinc/75/43/12/555754312.db2.gz XTWMEDCWMGUAMO-UHFFFAOYSA-N 0 0 448.555 5.989 50 0 IKAARN CCCN(CCC)C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002182457 555754328 /nfs/dbraw/zinc/75/43/28/555754328.db2.gz FXKCPDYUXWIPAY-UHFFFAOYSA-N 0 0 427.759 6.161 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002182458 555754345 /nfs/dbraw/zinc/75/43/45/555754345.db2.gz LLLBDOXMPZGALK-LBPRGKRZSA-N 0 0 425.743 5.914 50 0 IKAARN O=c1c(SCc2ccccc2)c(SCc2ccccc2)cnn1Cc1ccccc1 ZINC000002183683 555754514 /nfs/dbraw/zinc/75/45/14/555754514.db2.gz JBPUYTNUPHYESN-UHFFFAOYSA-N 0 0 430.598 5.876 50 0 IKAARN Cc1cccc(-n2ncc(SCc3ccccc3)c(SCc3ccccc3)c2=O)c1 ZINC000002183690 555754566 /nfs/dbraw/zinc/75/45/66/555754566.db2.gz IEEJJVRIVXKJQM-UHFFFAOYSA-N 0 0 430.598 6.126 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002184811 555755017 /nfs/dbraw/zinc/75/50/17/555755017.db2.gz BENDLAWLLQCHMM-UHFFFAOYSA-N 0 0 431.941 5.487 50 0 IKAARN Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCc1ccccc1 ZINC000002184854 555755186 /nfs/dbraw/zinc/75/51/86/555755186.db2.gz LXYLNHUNWBTPLK-UHFFFAOYSA-N 0 0 449.528 5.516 50 0 IKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2cccc4ccccc42)CCC3)cc1 ZINC000002186014 555755282 /nfs/dbraw/zinc/75/52/82/555755282.db2.gz FZGFMAQZZPPRRE-UHFFFAOYSA-N 0 0 426.541 6.203 50 0 IKAARN Cc1ccc(CSc2nnc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)n2C)cc1 ZINC000002185528 555755286 /nfs/dbraw/zinc/75/52/86/555755286.db2.gz FTMNANGXWGDVQQ-SFQUDFHCSA-N 0 0 440.572 5.735 50 0 IKAARN COc1cc(OC)c(C2N(c3ccccc3)CCN2c2ccccc2)cc1Br ZINC000002186994 555755651 /nfs/dbraw/zinc/75/56/51/555755651.db2.gz QIRHONVFSWMVNO-UHFFFAOYSA-N 0 0 439.353 5.492 50 0 IKAARN COc1cc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(OC)cc1Cl ZINC000002188880 555755852 /nfs/dbraw/zinc/75/58/52/555755852.db2.gz MDUPJBVETMKPGE-UHFFFAOYSA-N 0 0 428.985 7.272 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(COc3ccc(Br)cc3)s2)cc1 ZINC000002188945 555755862 /nfs/dbraw/zinc/75/58/62/555755862.db2.gz ZNMOPHJRAFHQFL-UHFFFAOYSA-N 0 0 446.370 5.429 50 0 IKAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000002187751 555755908 /nfs/dbraw/zinc/75/59/08/555755908.db2.gz OBJBSFTYEUSUMS-STZFKDTASA-N 0 0 434.289 5.373 50 0 IKAARN CCCN(CCC)C(=O)CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000002191107 555756584 /nfs/dbraw/zinc/75/65/84/555756584.db2.gz GYYBDLWCVQAMMP-UHFFFAOYSA-N 0 0 428.985 5.589 50 0 IKAARN O=C(CCCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002191088 555756609 /nfs/dbraw/zinc/75/66/09/555756609.db2.gz QMRKMAWJEOMKLV-UHFFFAOYSA-N 0 0 445.796 5.033 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000002194697 555756920 /nfs/dbraw/zinc/75/69/20/555756920.db2.gz NEOKTNYLFBLVBH-UHFFFAOYSA-N 0 0 437.615 6.023 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 ZINC000002198865 555757103 /nfs/dbraw/zinc/75/71/03/555757103.db2.gz IBHAFBRJWVXJFS-SFHVURJKSA-N 0 0 440.609 5.086 50 0 IKAARN Fc1nc(F)c(Cl)c(Oc2ccccc2Oc2c(F)c(F)nc(F)c2Cl)c1F ZINC000002201286 555757545 /nfs/dbraw/zinc/75/75/45/555757545.db2.gz XAKQYNUIGFVZOV-UHFFFAOYSA-N 0 0 441.114 6.203 50 0 IKAARN O=c1oc2cc3oc(-c4ccccc4)c(-c4ccc(Cl)cc4)c3cc2c2c1CCCC2 ZINC000002206608 555757717 /nfs/dbraw/zinc/75/77/17/555757717.db2.gz SGIBHUBUCNFINQ-UHFFFAOYSA-N 0 0 426.899 7.405 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c(C)c1 ZINC000002204687 555757759 /nfs/dbraw/zinc/75/77/59/555757759.db2.gz PZQWADOCLRPULL-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002206650 555757770 /nfs/dbraw/zinc/75/77/70/555757770.db2.gz XHVMPOIFGFJTBL-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000002206336 555757783 /nfs/dbraw/zinc/75/77/83/555757783.db2.gz YIIMSBPIZSKDET-UHFFFAOYSA-N 0 0 434.008 7.178 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000002204830 555757789 /nfs/dbraw/zinc/75/77/89/555757789.db2.gz OCGVDAOEQZEXDF-UHFFFAOYSA-N 0 0 448.979 5.881 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000002210115 555758095 /nfs/dbraw/zinc/75/80/95/555758095.db2.gz XGRSVGRHGQBCCF-UHFFFAOYSA-N 0 0 448.617 5.576 50 0 IKAARN COc1ccc(CSc2nnc(SCc3ccc(Br)cc3)s2)cc1 ZINC000002215720 555758656 /nfs/dbraw/zinc/75/86/56/555758656.db2.gz BJWOXUKDYTXEFV-UHFFFAOYSA-N 0 0 439.425 5.894 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(Cl)cc4C)c23)cc1 ZINC000002220441 555759316 /nfs/dbraw/zinc/75/93/16/555759316.db2.gz YAHRUHWPJGHWDM-UHFFFAOYSA-N 0 0 439.993 6.359 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccc(Cl)c1 ZINC000002220183 555759344 /nfs/dbraw/zinc/75/93/44/555759344.db2.gz DVVUOXOVKVZNIK-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000002224634 555759550 /nfs/dbraw/zinc/75/95/50/555759550.db2.gz RZRSKPSMXNUIHE-UHFFFAOYSA-N 0 0 436.939 5.780 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000002223856 555759574 /nfs/dbraw/zinc/75/95/74/555759574.db2.gz MCIHRJKWZMHCDL-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(C)cc2)Nc2ccccc2S3)cc1 ZINC000002229097 555760245 /nfs/dbraw/zinc/76/02/45/555760245.db2.gz PIPQZGCKBICZDC-HSZRJFAPSA-N 0 0 426.541 5.644 50 0 IKAARN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3O)nc2c1 ZINC000002235776 555760863 /nfs/dbraw/zinc/76/08/63/555760863.db2.gz HTWFJLDYRVJJGK-UHFFFAOYSA-N 0 0 449.507 5.590 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000002237554 555761147 /nfs/dbraw/zinc/76/11/47/555761147.db2.gz SQLBQLWLTIYIKW-UHFFFAOYSA-N 0 0 448.523 5.203 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1-c1ccc(C)cc1 ZINC000002241053 555761466 /nfs/dbraw/zinc/76/14/66/555761466.db2.gz OFCOOINAQDZQGE-UHFFFAOYSA-N 0 0 448.617 5.521 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000002240770 555761521 /nfs/dbraw/zinc/76/15/21/555761521.db2.gz BVXLXVYJKYRFCM-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)cc1Cl ZINC000002247739 555762226 /nfs/dbraw/zinc/76/22/26/555762226.db2.gz ORAIXWMUSSDJBN-UHFFFAOYSA-N 0 0 435.863 5.587 50 0 IKAARN COc1cc2cc(C(=O)N[C@H](C)c3ccccc3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000002252135 555762508 /nfs/dbraw/zinc/76/25/08/555762508.db2.gz NCQYZTZMUAYSNA-LJQANCHMSA-N 0 0 425.528 6.323 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002252977 555762511 /nfs/dbraw/zinc/76/25/11/555762511.db2.gz HVIDBYNCYALGIW-VXKWHMMOSA-N 0 0 432.936 5.514 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002252815 555762618 /nfs/dbraw/zinc/76/26/18/555762618.db2.gz ONCNOMCVRTYXEL-RPWUZVMVSA-N 0 0 444.897 5.592 50 0 IKAARN COc1ccc(-n2c(=O)c3c(nc2SC(C)C)-c2ccccc2CC32CCCCC2)cc1 ZINC000002254562 555762872 /nfs/dbraw/zinc/76/28/72/555762872.db2.gz RFDAZWFRIOFXRN-UHFFFAOYSA-N 0 0 446.616 6.167 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nc3ccccc3c2=O)cc1 ZINC000002259486 555763125 /nfs/dbraw/zinc/76/31/25/555763125.db2.gz AQXHIRNPHFJTQT-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN Clc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccncc2)cc1 ZINC000002258714 555763127 /nfs/dbraw/zinc/76/31/27/555763127.db2.gz PVZKMWSEIATCJC-UHFFFAOYSA-N 0 0 428.948 6.428 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccccc3c2=O)cc1 ZINC000002260050 555763465 /nfs/dbraw/zinc/76/34/65/555763465.db2.gz MXLGABSVXDOICL-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN O=c1oc2cc(OCc3ccc(F)cc3)cc(OCc3ccc(F)cc3)c2c2c1CCC2 ZINC000002260508 555763536 /nfs/dbraw/zinc/76/35/36/555763536.db2.gz QDRYDDIXKLBJSK-UHFFFAOYSA-N 0 0 434.438 5.718 50 0 IKAARN Cc1oc2c(cc(O)c3c2c(-c2ccccc2)nn3-c2ccccc2)c1C(=O)c1ccccc1 ZINC000002269783 555764064 /nfs/dbraw/zinc/76/40/64/555764064.db2.gz LZNODMWWOXWNPF-UHFFFAOYSA-N 0 0 444.490 6.684 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000002272051 555764312 /nfs/dbraw/zinc/76/43/12/555764312.db2.gz YJPNURDNYGQFMO-QGZVFWFLSA-N 0 0 440.678 6.799 50 0 IKAARN O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccccc1 ZINC000002271445 555764320 /nfs/dbraw/zinc/76/43/20/555764320.db2.gz YJIPAZZRFCUOGY-AWEZNQCLSA-N 0 0 446.083 5.897 50 0 IKAARN O=c1c2c3c(sc2nc(SCCc2ccccc2)n1-c1ccccc1)CCCCC3 ZINC000002270664 555764382 /nfs/dbraw/zinc/76/43/82/555764382.db2.gz DIFHGUHNNVPNGV-UHFFFAOYSA-N 0 0 432.614 6.051 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3ncnc1NC[C@H]1CCCO1 ZINC000002272792 555764396 /nfs/dbraw/zinc/76/43/96/555764396.db2.gz VGBQUGJXWKFSHG-MRXNPFEDSA-N 0 0 446.576 5.349 50 0 IKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccc(C)cc1 ZINC000002276936 555764748 /nfs/dbraw/zinc/76/47/48/555764748.db2.gz DZQAKRWPHLXVSK-UHFFFAOYSA-N 0 0 441.552 6.820 50 0 IKAARN O=c1oc2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2c2c1CCC2 ZINC000002279725 555765032 /nfs/dbraw/zinc/76/50/32/555765032.db2.gz HCUVFQPYRLPYEW-UHFFFAOYSA-N 0 0 434.438 5.718 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cc(Br)ccc2oc1=O ZINC000002283012 555765336 /nfs/dbraw/zinc/76/53/36/555765336.db2.gz FDOJHLWVFOFQED-UHFFFAOYSA-N 0 0 446.606 5.480 50 0 IKAARN Clc1nc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000002286475 555765536 /nfs/dbraw/zinc/76/55/36/555765536.db2.gz RZGOXOLLBMBTET-UHFFFAOYSA-N 0 0 435.529 6.626 50 0 IKAARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(C)c1)C(F)(F)F ZINC000002300438 555766552 /nfs/dbraw/zinc/76/65/52/555766552.db2.gz OHJBHWHTGYPNLM-QFIPXVFZSA-N 0 0 446.425 5.105 50 0 IKAARN C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc(Br)cc4)nc(N)c32)C1 ZINC000002303583 555766821 /nfs/dbraw/zinc/76/68/21/555766821.db2.gz JQXXOHOAXAQVFR-JTQLQIEISA-N 0 0 448.411 5.136 50 0 IKAARN CCc1ccc(NC2=C[C@@H](c3cccc4ccccc43)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002304597 555767154 /nfs/dbraw/zinc/76/71/54/555767154.db2.gz FNJDCWPDOZTSSX-LJAQVGFWSA-N 0 0 432.567 7.049 50 0 IKAARN CCN(CC)C(=S)Sc1nc(Nc2cccc(C)c2)nc(Nc2cccc(C)c2)n1 ZINC000002309920 555767560 /nfs/dbraw/zinc/76/75/60/555767560.db2.gz PZFGILPLVHFTJH-UHFFFAOYSA-N 0 0 438.626 5.694 50 0 IKAARN Cc1ccccc1-n1c2nnc(SCCC(C)C)n2c2sc3c(c2c1=O)CCCC3 ZINC000002309312 555767585 /nfs/dbraw/zinc/76/75/85/555767585.db2.gz OBOLXWMYAPWYDW-UHFFFAOYSA-N 0 0 438.622 5.420 50 0 IKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000002307286 555767592 /nfs/dbraw/zinc/76/75/92/555767592.db2.gz ZVIOTJWWILRXAX-ICSRJNTNSA-N 0 0 428.458 5.667 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)c(C)c(C(=O)OCC(=O)c3ccc(Cl)cc3)c2c1 ZINC000002307788 555767597 /nfs/dbraw/zinc/76/75/97/555767597.db2.gz BWBUMKHHHKNCDU-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000002309101 555767648 /nfs/dbraw/zinc/76/76/48/555767648.db2.gz VVRYSNVVVAYLFV-UHFFFAOYSA-N 0 0 442.650 6.279 50 0 IKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 ZINC000002307287 555767680 /nfs/dbraw/zinc/76/76/80/555767680.db2.gz ZVIOTJWWILRXAX-QUCCMNQESA-N 0 0 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COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2cc(C)ccc2C)cc1 ZINC000002454455 555782529 /nfs/dbraw/zinc/78/25/29/555782529.db2.gz PVPARKYCUOEEPJ-UHFFFAOYSA-N 0 0 445.588 6.072 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000002454488 555782605 /nfs/dbraw/zinc/78/26/05/555782605.db2.gz CSHVKWWGIONEGL-GOSISDBHSA-N 0 0 446.576 6.080 50 0 IKAARN COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc21 ZINC000002497178 555784492 /nfs/dbraw/zinc/78/44/92/555784492.db2.gz IISKUYWRHRYRRX-UHFFFAOYSA-N 0 0 437.517 5.407 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1ccccc1 ZINC000002509448 555785094 /nfs/dbraw/zinc/78/50/94/555785094.db2.gz SICBCJXSZQBNOK-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN COc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002506936 555785179 /nfs/dbraw/zinc/78/51/79/555785179.db2.gz LZROLPGTMVRYGU-VMPITWQZSA-N 0 0 433.964 6.402 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccc3ccccc32)n2ccc(C(=O)c3ccccc3)cc12 ZINC000002529486 555785717 /nfs/dbraw/zinc/78/57/17/555785717.db2.gz PCEPBVJGUVVUIK-UHFFFAOYSA-N 0 0 447.490 5.731 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccc3ccccc32)n2cnc(-c3cccs3)cc12 ZINC000002529466 555785850 /nfs/dbraw/zinc/78/58/50/555785850.db2.gz RUQFTGHNXIHWKR-UHFFFAOYSA-N 0 0 426.497 5.624 50 0 IKAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002541786 555786474 /nfs/dbraw/zinc/78/64/74/555786474.db2.gz LMDQPAJOZJBVBM-DNQXCXABSA-N 0 0 442.906 5.153 50 0 IKAARN O=C(C[C@@H](c1ccccc1Br)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000002546828 555786951 /nfs/dbraw/zinc/78/69/51/555786951.db2.gz RWFMPPSACVDGKM-UXHICEINSA-N 0 0 447.800 6.999 50 0 IKAARN Cc1ccc2oc(-c3ccc(/C=C/c4ccc(-c5nc6cc(C)ccc6o5)cc4)cc3)nc2c1 ZINC000002556772 555787277 /nfs/dbraw/zinc/78/72/77/555787277.db2.gz OKEZAUMKBWTTCR-AATRIKPKSA-N 0 0 442.518 8.090 50 0 IKAARN Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1 ZINC000002556104 555787290 /nfs/dbraw/zinc/78/72/90/555787290.db2.gz FPXKWXSDDLZDBP-UHFFFAOYSA-N 0 0 447.329 5.797 50 0 IKAARN O=C(Nc1ccc(SC(F)(F)F)cc1)c1sc2c(ccc3ccccc23)c1Cl ZINC000002562107 555787594 /nfs/dbraw/zinc/78/75/94/555787594.db2.gz WVVFKYWYEWZCGD-UHFFFAOYSA-N 0 0 437.895 7.572 50 0 IKAARN COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cn1 ZINC000002561722 555787612 /nfs/dbraw/zinc/78/76/12/555787612.db2.gz OKYODTMPUBGEAU-UHFFFAOYSA-N 0 0 425.326 5.466 50 0 IKAARN CC(C)(C)OC(=O)n1cc(I)c2cc(OCc3ccccc3)ccc21 ZINC000002563787 555787900 /nfs/dbraw/zinc/78/79/00/555787900.db2.gz XMZGUATULZXTJG-UHFFFAOYSA-N 0 0 449.288 5.608 50 0 IKAARN OCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002576989 555788260 /nfs/dbraw/zinc/78/82/60/555788260.db2.gz FWPHSYJOSSBILN-UHFFFAOYSA-N 0 0 426.512 5.916 50 0 IKAARN Cc1cccc2c(C(=O)Oc3ccc(Cl)cc3Cl)cc(-c3ccc(Cl)cc3)nc12 ZINC000002577083 555788298 /nfs/dbraw/zinc/78/82/98/555788298.db2.gz DKCKOLSDKQHPBB-UHFFFAOYSA-N 0 0 442.729 7.390 50 0 IKAARN CCOC(=O)[C@@H](Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1)c1ccccc1 ZINC000002586402 555788984 /nfs/dbraw/zinc/78/89/84/555788984.db2.gz LYJJFSAWEXDBCK-DEOSSOPVSA-N 0 0 430.456 5.152 50 0 IKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000002595235 555789754 /nfs/dbraw/zinc/78/97/54/555789754.db2.gz JCOTZZDKUPZBPN-UHFFFAOYSA-N 0 0 435.515 5.556 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)Nc1ccc(F)cc1 ZINC000034679822 555790435 /nfs/dbraw/zinc/79/04/35/555790435.db2.gz SJOYKEYAIVJXQG-UHFFFAOYSA-N 0 0 438.502 5.854 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000034679828 555790503 /nfs/dbraw/zinc/79/05/03/555790503.db2.gz AHFXQERDGSEZBD-UHFFFAOYSA-N 0 0 448.566 5.735 50 0 IKAARN C[C@@H](NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)c1ccccc1 ZINC000034679854 555790802 /nfs/dbraw/zinc/79/08/02/555790802.db2.gz XOCBVLOLGMBPLT-JOCHJYFZSA-N 0 0 440.587 5.830 50 0 IKAARN CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667466 555791434 /nfs/dbraw/zinc/79/14/34/555791434.db2.gz MYMRHCZAYUWDBB-CCLHPLFOSA-N 0 0 446.566 5.265 50 0 IKAARN C[C@H](NC(=O)c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1)c1ccccc1 ZINC000034668642 555792351 /nfs/dbraw/zinc/79/23/51/555792351.db2.gz XQOWZKBOBOHYPD-FQEVSTJZSA-N 0 0 433.983 5.153 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NCc1cccnc1 ZINC000034672363 555793542 /nfs/dbraw/zinc/79/35/42/555793542.db2.gz QLTJBYXBHGFTFC-UHFFFAOYSA-N 0 0 444.510 5.065 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccc(C)cc2)c1CCC(=O)NCc1cccnc1 ZINC000034672432 555793737 /nfs/dbraw/zinc/79/37/37/555793737.db2.gz MKXZGZUFZUJRKM-UHFFFAOYSA-N 0 0 440.547 5.234 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2F)c1CCC(=O)NCc1ccccn1 ZINC000034672435 555793748 /nfs/dbraw/zinc/79/37/48/555793748.db2.gz KKQSHWDLEYPLTP-UHFFFAOYSA-N 0 0 444.510 5.065 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2cccnc2)cc1 ZINC000034675950 555794466 /nfs/dbraw/zinc/79/44/66/555794466.db2.gz NOLIKKPXEDAKNE-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000002669796 555797233 /nfs/dbraw/zinc/79/72/33/555797233.db2.gz ZLTXDEWESWGMDS-UHFFFAOYSA-N 0 0 427.740 5.712 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002672656 555797534 /nfs/dbraw/zinc/79/75/34/555797534.db2.gz XFUZALQJZXNGQT-FSNWXROXSA-N 0 0 438.569 5.931 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](SCc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000002672885 555797573 /nfs/dbraw/zinc/79/75/73/555797573.db2.gz FHUPQXSQJORPMC-SFHVURJKSA-N 0 0 430.828 6.344 50 0 IKAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002678309 555797752 /nfs/dbraw/zinc/79/77/52/555797752.db2.gz HZUTUYTVNGPDDY-CQSZACIVSA-N 0 0 445.243 5.409 50 0 IKAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000002678319 555798079 /nfs/dbraw/zinc/79/80/79/555798079.db2.gz GPHGLGGKFMGFHH-MRXNPFEDSA-N 0 0 438.852 5.373 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(Oc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000002680082 555798153 /nfs/dbraw/zinc/79/81/53/555798153.db2.gz PPRPITFWIRWKBP-UHFFFAOYSA-N 0 0 445.544 5.932 50 0 IKAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000002678318 555798171 /nfs/dbraw/zinc/79/81/71/555798171.db2.gz GWHMOUUSCQSNIW-INIZCTEOSA-N 0 0 438.852 5.373 50 0 IKAARN O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002682445 555798474 /nfs/dbraw/zinc/79/84/74/555798474.db2.gz BAXBAZPJYLOHFG-HXUWFJFHSA-N 0 0 432.829 5.410 50 0 IKAARN CC(C)CC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000034679684 555798688 /nfs/dbraw/zinc/79/86/88/555798688.db2.gz KMXJHAQGWRRTIA-NRFANRHFSA-N 0 0 446.566 5.825 50 0 IKAARN Cc1ccc(Nc2c(Cl)c(P(=O)(OC(C)C)OC(C)C)nc3ccc(C)cc32)cc1 ZINC000002701449 555800455 /nfs/dbraw/zinc/80/04/55/555800455.db2.gz MAQZRGJTOPHWGY-UHFFFAOYSA-N 0 0 446.915 6.917 50 0 IKAARN Cc1cccc(C(=O)N[C@@H](Oc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)c1 ZINC000002702005 555800819 /nfs/dbraw/zinc/80/08/19/555800819.db2.gz LFADNAHZQLZPQZ-HNNXBMFYSA-N 0 0 427.542 5.807 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000002735946 555806195 /nfs/dbraw/zinc/80/61/95/555806195.db2.gz HBLMMRNQUKJBLS-OEAKJJBVSA-N 0 0 432.907 5.320 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(c1ccccc1)c1ccccc1 ZINC000002736536 555806301 /nfs/dbraw/zinc/80/63/01/555806301.db2.gz TUORMDLNYGXKEJ-UHFFFAOYSA-N 0 0 439.367 6.888 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000002736952 555806613 /nfs/dbraw/zinc/80/66/13/555806613.db2.gz YGNBGIKCPRDGCE-UHFFFAOYSA-N 0 0 425.532 6.009 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1Cl)CCCC2 ZINC000002741564 555807375 /nfs/dbraw/zinc/80/73/75/555807375.db2.gz WKENLFMEODEKRK-UHFFFAOYSA-N 0 0 430.913 5.283 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C ZINC000002742105 555807441 /nfs/dbraw/zinc/80/74/41/555807441.db2.gz ONAQKUYUSHHLPX-UHFFFAOYSA-N 0 0 432.929 5.799 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000002741646 555807487 /nfs/dbraw/zinc/80/74/87/555807487.db2.gz OQQIQNYGQUKWIE-OAHLLOKOSA-N 0 0 435.372 5.368 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)cc2)cc1 ZINC000002742641 555807604 /nfs/dbraw/zinc/80/76/04/555807604.db2.gz SMFVERULOOBXSE-PMACEKPBSA-N 0 0 428.576 7.218 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)cc2)cc1 ZINC000002742642 555807634 /nfs/dbraw/zinc/80/76/34/555807634.db2.gz SMFVERULOOBXSE-WOJBJXKFSA-N 0 0 428.576 7.218 50 0 IKAARN O=C(CCCCC(=O)Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl ZINC000002744762 555808311 /nfs/dbraw/zinc/80/83/11/555808311.db2.gz GYDKHYMYBLYOHD-UHFFFAOYSA-N 0 0 434.150 6.438 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc3ccccc3c1)Nc1ccccc1-2 ZINC000002745166 555808552 /nfs/dbraw/zinc/80/85/52/555808552.db2.gz ALDZKVBZNBKFBV-QHCPKHFHSA-N 0 0 428.561 6.477 50 0 IKAARN CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002745882 555808904 /nfs/dbraw/zinc/80/89/04/555808904.db2.gz GGWGNSIVMRYNLZ-HXUWFJFHSA-N 0 0 448.617 6.188 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)n2)c(C)c1 ZINC000002748230 555809795 /nfs/dbraw/zinc/80/97/95/555809795.db2.gz KPSIGYNSERYEBN-QHCPKHFHSA-N 0 0 430.598 6.899 50 0 IKAARN C[C@@H]1CN(C(=S)Nc2cccc(Cl)c2)CCN1C(=S)Nc1cccc(Cl)c1 ZINC000002747959 555809830 /nfs/dbraw/zinc/80/98/30/555809830.db2.gz NVHOPPQLVVUPIO-CYBMUJFWSA-N 0 0 439.437 5.093 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)c1 ZINC000002750781 555810054 /nfs/dbraw/zinc/81/00/54/555810054.db2.gz PGGJKIPLWJFZEP-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN CC(C)Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000002749957 555810074 /nfs/dbraw/zinc/81/00/74/555810074.db2.gz WDTBKJLHMQBPCQ-UHFFFAOYSA-N 0 0 426.994 7.129 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2n1 ZINC000002751520 555810398 /nfs/dbraw/zinc/81/03/98/555810398.db2.gz ORCKLXQFCJWVTK-UHFFFAOYSA-N 0 0 429.932 6.726 50 0 IKAARN CCCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OC)cc1 ZINC000002750875 555810418 /nfs/dbraw/zinc/81/04/18/555810418.db2.gz AIFRXBXTFDICRP-UHFFFAOYSA-N 0 0 429.925 5.896 50 0 IKAARN O=C(c1ccc(COc2cccc3ccccc32)o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002752729 555810618 /nfs/dbraw/zinc/81/06/18/555810618.db2.gz CDWSVWIKAHONMO-UHFFFAOYSA-N 0 0 447.534 6.854 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)sc2c1CCCC2 ZINC000002752759 555810696 /nfs/dbraw/zinc/81/06/96/555810696.db2.gz OBNJQRJRBCHHDF-UHFFFAOYSA-N 0 0 445.434 5.293 50 0 IKAARN O=C(CCC(=O)NCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)c(Cl)c1 ZINC000002757059 555811181 /nfs/dbraw/zinc/81/11/81/555811181.db2.gz SITJSRCMQZGNRF-UHFFFAOYSA-N 0 0 434.150 5.013 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1cccc(Cl)c1 ZINC000002758785 555811841 /nfs/dbraw/zinc/81/18/41/555811841.db2.gz AGPUCGBZSQKUER-UHFFFAOYSA-N 0 0 448.972 5.201 50 0 IKAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccncc3)cc2)c1 ZINC000034680085 555813109 /nfs/dbraw/zinc/81/31/09/555813109.db2.gz CZLPBYPHCKSINZ-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000034680052 555813141 /nfs/dbraw/zinc/81/31/41/555813141.db2.gz JALAYBYXYLZLOG-QHCPKHFHSA-N 0 0 442.603 5.994 50 0 IKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 ZINC000034680057 555813164 /nfs/dbraw/zinc/81/31/64/555813164.db2.gz WZSXUUGJCWMACF-UHFFFAOYSA-N 0 0 442.603 5.775 50 0 IKAARN C[C@H](c1ccccc1)n1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2sccc21 ZINC000034680174 555813390 /nfs/dbraw/zinc/81/33/90/555813390.db2.gz KWGJZOGUOASOGL-OAHLLOKOSA-N 0 0 428.479 6.261 50 0 IKAARN Cc1cccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)c1 ZINC000034680123 555813420 /nfs/dbraw/zinc/81/34/20/555813420.db2.gz ISICXNACBZRCCE-SAPNQHFASA-N 0 0 440.587 5.556 50 0 IKAARN Cc1sc(NC(=O)c2c(F)cccc2F)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000002767112 555814025 /nfs/dbraw/zinc/81/40/25/555814025.db2.gz OJAQPANDZREJPL-UHFFFAOYSA-N 0 0 428.504 5.650 50 0 IKAARN CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 ZINC000002765947 555814029 /nfs/dbraw/zinc/81/40/29/555814029.db2.gz MROPLFPSHJYGPZ-UHFFFAOYSA-N 0 0 439.602 6.248 50 0 IKAARN COc1cc(C=O)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000002767626 555814362 /nfs/dbraw/zinc/81/43/62/555814362.db2.gz XSHGMUIGZUUDHE-UHFFFAOYSA-N 0 0 434.511 5.265 50 0 IKAARN COc1ccc(CCNC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000002769160 555814622 /nfs/dbraw/zinc/81/46/22/555814622.db2.gz ZZRZANTXLLSYKD-UHFFFAOYSA-N 0 0 430.935 5.845 50 0 IKAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002768846 555814625 /nfs/dbraw/zinc/81/46/25/555814625.db2.gz BMRBVXMGKOGEHJ-UHFFFAOYSA-N 0 0 447.272 5.571 50 0 IKAARN NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1csc2ccccc12 ZINC000002769067 555814631 /nfs/dbraw/zinc/81/46/31/555814631.db2.gz SSKZFHCTABZXOJ-UHFFFAOYSA-N 0 0 447.368 6.288 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3n2)cc1 ZINC000002770343 555815307 /nfs/dbraw/zinc/81/53/07/555815307.db2.gz JCUSTICSRQBTDT-UHFFFAOYSA-N 0 0 447.272 6.201 50 0 IKAARN O=C(CCSCCC(=O)Nc1ccc(Cl)cc1F)Nc1ccc(Cl)cc1F ZINC000002773230 555816367 /nfs/dbraw/zinc/81/63/67/555816367.db2.gz JZGYBCUXYRVKMA-UHFFFAOYSA-N 0 0 433.307 5.362 50 0 IKAARN Cc1cc(I)ccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000002838063 555834098 /nfs/dbraw/zinc/83/40/98/555834098.db2.gz YVEIRUDVOKLCDG-LLVKDONJSA-N 0 0 431.726 5.372 50 0 IKAARN CCc1ccc(C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OC(C)C)s1 ZINC000002777396 555818440 /nfs/dbraw/zinc/81/84/40/555818440.db2.gz INXOVVIRHZHMHW-UHFFFAOYSA-N 0 0 429.563 5.865 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@H](CC)C2 ZINC000002783303 555819810 /nfs/dbraw/zinc/81/98/10/555819810.db2.gz RNGKZPYJHVGDNU-FXAWDEMLSA-N 0 0 443.609 5.853 50 0 IKAARN C[C@@H](NC(=O)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1)c1ccccc1 ZINC000034684586 555820122 /nfs/dbraw/zinc/82/01/22/555820122.db2.gz UNNZNYIRVNGSFY-HXUWFJFHSA-N 0 0 433.983 5.153 50 0 IKAARN COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)COc1ccc(C)c(C)c1 ZINC000002794857 555821850 /nfs/dbraw/zinc/82/18/50/555821850.db2.gz XGFBXQIYFUNUTP-UHFFFAOYSA-N 0 0 445.540 5.989 50 0 IKAARN 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COc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1ccccc1F ZINC000034712201 555825526 /nfs/dbraw/zinc/82/55/26/555825526.db2.gz VZWBKHYCJAVKMD-UHFFFAOYSA-N 0 0 438.480 5.060 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3ccc(OCc4cc(F)ccc4F)cc3)n2)c1 ZINC000034712104 555825531 /nfs/dbraw/zinc/82/55/31/555825531.db2.gz DRYDRPAJRGKGIX-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2)n1 ZINC000034712070 555825537 /nfs/dbraw/zinc/82/55/37/555825537.db2.gz SBYJYLWQDPAYJT-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN COc1cccc(NC(=O)c2csc(-c3cccc(OCc4ccccc4F)c3)n2)c1 ZINC000034712668 555825799 /nfs/dbraw/zinc/82/57/99/555825799.db2.gz TXWXTUFSKLFWBJ-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)c(OC)c2)n1 ZINC000034712474 555825803 /nfs/dbraw/zinc/82/58/03/555825803.db2.gz QOOIQJBEYCWAIG-UHFFFAOYSA-N 0 0 432.492 5.158 50 0 IKAARN O=C(c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1)N1CCCC1 ZINC000034713130 555826098 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CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000002807721 555826980 /nfs/dbraw/zinc/82/69/80/555826980.db2.gz FYXXHFHDUMENTJ-CQSZACIVSA-N 0 0 425.575 6.030 50 0 IKAARN O=C(NC1CC1)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)n1 ZINC000034713641 555826999 /nfs/dbraw/zinc/82/69/99/555826999.db2.gz UBBOJHGVSAROHU-UHFFFAOYSA-N 0 0 437.323 5.727 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000002807722 555827024 /nfs/dbraw/zinc/82/70/24/555827024.db2.gz FYXXHFHDUMENTJ-AWEZNQCLSA-N 0 0 425.575 6.030 50 0 IKAARN Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-c1nc2ccccc2o1 ZINC000002811456 555827237 /nfs/dbraw/zinc/82/72/37/555827237.db2.gz FKHKZCSCQCJIPV-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN CCc1ccccc1NC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000002811440 555827256 /nfs/dbraw/zinc/82/72/56/555827256.db2.gz PHFLZBYKDYPQID-UHFFFAOYSA-N 0 0 428.389 5.369 50 0 IKAARN Cc1cc(OCC(=O)OCc2ccccc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002810380 555827258 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Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000002835433 555832635 /nfs/dbraw/zinc/83/26/35/555832635.db2.gz UFTYAQYWLPZOOM-UHFFFAOYSA-N 0 0 431.945 5.465 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002835593 555832919 /nfs/dbraw/zinc/83/29/19/555832919.db2.gz YTBJWLAQSWMOGR-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cccc(COc2ccc(Br)cc2)c1 ZINC000002835816 555832933 /nfs/dbraw/zinc/83/29/33/555832933.db2.gz KIZAOYDQIWXGSL-UHFFFAOYSA-N 0 0 440.337 5.357 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000002836526 555833140 /nfs/dbraw/zinc/83/31/40/555833140.db2.gz SWVRZLBNIRLZCU-UHFFFAOYSA-N 0 0 438.734 5.192 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002836764 555833501 /nfs/dbraw/zinc/83/35/01/555833501.db2.gz OMJHXFFYERWHDM-UHFFFAOYSA-N 0 0 443.286 5.285 50 0 IKAARN Cc1sc2nc(SCCOc3ccc(F)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000002838108 555834084 /nfs/dbraw/zinc/83/40/84/555834084.db2.gz 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ZINC000002838900 555834626 /nfs/dbraw/zinc/83/46/26/555834626.db2.gz BHAXJUMNTOAVKX-UHFFFAOYSA-N 0 0 429.383 6.600 50 0 IKAARN CCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccc(Cl)c1Cl ZINC000002838861 555834652 /nfs/dbraw/zinc/83/46/52/555834652.db2.gz REKHNVCDSDNFKN-UHFFFAOYSA-N 0 0 439.795 7.544 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1Cc1ccccc1 ZINC000002840512 555835024 /nfs/dbraw/zinc/83/50/24/555835024.db2.gz KWAJXFVLYCZNQA-UHFFFAOYSA-N 0 0 437.362 5.500 50 0 IKAARN O=C(Nc1ccccc1Cl)c1c2c(sc1NC(=O)c1cccc3ccccc31)CCC2 ZINC000002840684 555835245 /nfs/dbraw/zinc/83/52/45/555835245.db2.gz GFWDLXBOZIXDJY-UHFFFAOYSA-N 0 0 446.959 6.548 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)CCc4ccccc4)cc3)sc2c1 ZINC000002842193 555836087 /nfs/dbraw/zinc/83/60/87/555836087.db2.gz ROYDDYZCZDGISU-UHFFFAOYSA-N 0 0 431.586 5.718 50 0 IKAARN COCCNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000002843356 555836718 /nfs/dbraw/zinc/83/67/18/555836718.db2.gz CPCFCBWVGVIJCO-UHFFFAOYSA-N 0 0 448.997 5.124 50 0 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/nfs/dbraw/zinc/83/80/22/555838022.db2.gz YPEHPSQPVDLNIU-UHFFFAOYSA-N 0 0 441.512 5.334 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(-c3noc(COc4cccc(C)c4C)n3)cc2)cc1 ZINC000002849367 555838617 /nfs/dbraw/zinc/83/86/17/555838617.db2.gz WLHIIXLOLKDFHX-UHFFFAOYSA-N 0 0 443.503 5.122 50 0 IKAARN Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1-c1nc2ccccc2o1 ZINC000002849768 555838619 /nfs/dbraw/zinc/83/86/19/555838619.db2.gz NTPBLVGRZXAXER-AWEZNQCLSA-N 0 0 441.314 6.516 50 0 IKAARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cccs1 ZINC000002849607 555838705 /nfs/dbraw/zinc/83/87/05/555838705.db2.gz DJYVVAHLLHKOQT-UHFFFAOYSA-N 0 0 443.557 5.070 50 0 IKAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccccc1 ZINC000002850620 555838956 /nfs/dbraw/zinc/83/89/56/555838956.db2.gz SPWJSIHBSPRFTI-OAHLLOKOSA-N 0 0 443.330 5.960 50 0 IKAARN Cc1nnc2sc(-c3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3)nn12 ZINC000002850498 555838971 /nfs/dbraw/zinc/83/89/71/555838971.db2.gz IDNUWBQYLCASKY-UHFFFAOYSA-N 0 0 447.564 5.226 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(I)cc2C(F)(F)F)cc1 ZINC000002850354 555838984 /nfs/dbraw/zinc/83/89/84/555838984.db2.gz MKRMPPKVGSNMPC-UHFFFAOYSA-N 0 0 447.238 5.860 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002850531 555838987 /nfs/dbraw/zinc/83/89/87/555838987.db2.gz FRCWPSOXXPSIMC-ZDUSSCGKSA-N 0 0 443.355 6.676 50 0 IKAARN COc1cc(OC)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000002850358 555839004 /nfs/dbraw/zinc/83/90/04/555839004.db2.gz HLZZDNIXIXUTFI-UHFFFAOYSA-N 0 0 425.095 5.335 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc2c(c1)OCO2 ZINC000002850966 555839335 /nfs/dbraw/zinc/83/93/35/555839335.db2.gz PNXSTRSBCBCXTI-UHFFFAOYSA-N 0 0 437.249 5.238 50 0 IKAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)Nc1ccc(Br)cc1Cl ZINC000002852611 555840149 /nfs/dbraw/zinc/84/01/49/555840149.db2.gz GNUFXWFZMCYKFE-UHFFFAOYSA-N 0 0 426.044 6.001 50 0 IKAARN COc1cc(Br)cc2cc(C(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc21 ZINC000002853277 555840375 /nfs/dbraw/zinc/84/03/75/555840375.db2.gz 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ZINC000002857137 555842352 /nfs/dbraw/zinc/84/23/52/555842352.db2.gz ULOZXIZHOLEWFV-UHFFFAOYSA-N 0 0 436.577 5.504 50 0 IKAARN FC(F)Oc1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1Cl ZINC000002858936 555843239 /nfs/dbraw/zinc/84/32/39/555843239.db2.gz GSNFRPLVDKSELW-UHFFFAOYSA-N 0 0 442.112 6.166 50 0 IKAARN COC(=O)c1sc2cc(NC(=S)Nc3cccc(NC(C)=O)c3)ccc2c1Cl ZINC000002858904 555843294 /nfs/dbraw/zinc/84/32/94/555843294.db2.gz CJMFASSMODEFBG-UHFFFAOYSA-N 0 0 433.942 5.109 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002859592 555843906 /nfs/dbraw/zinc/84/39/06/555843906.db2.gz ILVNQBAIIJCBDT-HSZRJFAPSA-N 0 0 445.902 5.591 50 0 IKAARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1-n1cccc1 ZINC000002861322 555844472 /nfs/dbraw/zinc/84/44/72/555844472.db2.gz WTQIODBOBSGBKR-UHFFFAOYSA-N 0 0 435.321 5.583 50 0 IKAARN CCc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000002862376 555845358 /nfs/dbraw/zinc/84/53/58/555845358.db2.gz CMWLUNPMWHNKFK-QHCPKHFHSA-N 0 0 447.893 5.893 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000002862377 555845368 /nfs/dbraw/zinc/84/53/68/555845368.db2.gz CMWLUNPMWHNKFK-HSZRJFAPSA-N 0 0 447.893 5.893 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000002863005 555845782 /nfs/dbraw/zinc/84/57/82/555845782.db2.gz DWLRVARPOCFBPK-UHFFFAOYSA-N 0 0 437.337 6.077 50 0 IKAARN CCCS(=O)(=O)c1ccc(COC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000002862934 555845825 /nfs/dbraw/zinc/84/58/25/555845825.db2.gz TYPJLDVIMHFWHS-UHFFFAOYSA-N 0 0 440.586 5.520 50 0 IKAARN CC(C)[C@@H]1Cc2c(sc3nc(-c4ccccc4)n4c(Cc5ccccc5)nnc4c23)CO1 ZINC000002867418 555847825 /nfs/dbraw/zinc/84/78/25/555847825.db2.gz ABQMNNAJUXVVEH-FQEVSTJZSA-N 0 0 440.572 5.694 50 0 IKAARN COCCCNc1nc(SCc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002867409 555847832 /nfs/dbraw/zinc/84/78/32/555847832.db2.gz WOMWMNYKJYVXMR-UHFFFAOYSA-N 0 0 429.611 5.283 50 0 IKAARN COc1ccccc1CCNC(=O)c1cc(-c2ccncc2)nc2c(C)c(Cl)ccc12 ZINC000002867741 555848098 /nfs/dbraw/zinc/84/80/98/555848098.db2.gz VLIGRMSCVIKKTO-UHFFFAOYSA-N 0 0 431.923 5.240 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3ccc(Cl)cc32)cc1 ZINC000002867563 555848111 /nfs/dbraw/zinc/84/81/11/555848111.db2.gz VFRJYEBLAJCNSL-UHFFFAOYSA-N 0 0 429.907 6.074 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3SC)c3cc(C)ccc3n2)c1 ZINC000002867590 555848127 /nfs/dbraw/zinc/84/81/27/555848127.db2.gz PXURFPPGHFOFPP-UHFFFAOYSA-N 0 0 444.556 6.202 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2ccccc2n1 ZINC000002867483 555848176 /nfs/dbraw/zinc/84/81/76/555848176.db2.gz CPUVOKPHONHAQV-QGZVFWFLSA-N 0 0 440.499 5.520 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C ZINC000002871191 555849659 /nfs/dbraw/zinc/84/96/59/555849659.db2.gz UQKUGXRHRPXEEU-UHFFFAOYSA-N 0 0 448.466 5.375 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002870791 555849672 /nfs/dbraw/zinc/84/96/72/555849672.db2.gz SCYRLSWYQFIUFJ-UHFFFAOYSA-N 0 0 427.542 6.751 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000002871328 555849704 /nfs/dbraw/zinc/84/97/04/555849704.db2.gz XINYADIJIXMUPD-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1c1ccc(Br)cc1 ZINC000002871380 555850044 /nfs/dbraw/zinc/85/00/44/555850044.db2.gz JBCQTEOJQUDGNH-FQEVSTJZSA-N 0 0 448.272 5.011 50 0 IKAARN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(OCc2ccccc2)cc1 ZINC000002872320 555850449 /nfs/dbraw/zinc/85/04/49/555850449.db2.gz JTSCSVOFXDWRNN-UHFFFAOYSA-N 0 0 428.513 5.251 50 0 IKAARN O=C(CSCc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002871901 555850478 /nfs/dbraw/zinc/85/04/78/555850478.db2.gz IGAPZOWWUCOVSR-UHFFFAOYSA-N 0 0 438.696 5.993 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)c1 ZINC000002872088 555850482 /nfs/dbraw/zinc/85/04/82/555850482.db2.gz MEAOSUAJSBXHQC-UHFFFAOYSA-N 0 0 433.986 5.915 50 0 IKAARN O=S(=O)(N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002873401 555850690 /nfs/dbraw/zinc/85/06/90/555850690.db2.gz LWLBHBWAWPNZFD-HNNXBMFYSA-N 0 0 438.163 5.211 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1C ZINC000002874574 555851379 /nfs/dbraw/zinc/85/13/79/555851379.db2.gz YKBBFOKTLXHKMC-UHFFFAOYSA-N 0 0 442.968 5.627 50 0 IKAARN CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000002874501 555851396 /nfs/dbraw/zinc/85/13/96/555851396.db2.gz GYGLDYMXWZSGPR-UHFFFAOYSA-N 0 0 440.590 5.387 50 0 IKAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)c1 ZINC000002874801 555851795 /nfs/dbraw/zinc/85/17/95/555851795.db2.gz HFPXCDYPTSVLLZ-UHFFFAOYSA-N 0 0 432.904 5.149 50 0 IKAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002876168 555852332 /nfs/dbraw/zinc/85/23/32/555852332.db2.gz FAUBHAZATRAWGA-UHFFFAOYSA-N 0 0 448.350 5.640 50 0 IKAARN COc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3-c3ccccc3)n2)cc1 ZINC000002876898 555852594 /nfs/dbraw/zinc/85/25/94/555852594.db2.gz XCXOHYUQWWDGFC-UHFFFAOYSA-N 0 0 447.545 5.347 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)Nc1ccc(Br)cc1-2 ZINC000002878538 555853555 /nfs/dbraw/zinc/85/35/55/555853555.db2.gz UIYUTELXSCQWGZ-HNNXBMFYSA-N 0 0 435.734 5.180 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002879182 555853865 /nfs/dbraw/zinc/85/38/65/555853865.db2.gz WPJRJXUELXHPOW-UHFFFAOYSA-N 0 0 444.560 5.412 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c1 ZINC000002879608 555854265 /nfs/dbraw/zinc/85/42/65/555854265.db2.gz TXKFFCBSELFBHD-UHFFFAOYSA-N 0 0 441.527 6.218 50 0 IKAARN Cc1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000002879331 555854284 /nfs/dbraw/zinc/85/42/84/555854284.db2.gz XJAOKYVNXHRYBN-UHFFFAOYSA-N 0 0 443.572 5.337 50 0 IKAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002879730 555854321 /nfs/dbraw/zinc/85/43/21/555854321.db2.gz OZFURHSYUWGCHB-UHFFFAOYSA-N 0 0 438.833 5.154 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000002879986 555854501 /nfs/dbraw/zinc/85/45/01/555854501.db2.gz JBYANRIJWYLPDK-UHFFFAOYSA-N 0 0 442.515 6.134 50 0 IKAARN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000002880757 555854972 /nfs/dbraw/zinc/85/49/72/555854972.db2.gz DFQSYUDDFUCWCW-UHFFFAOYSA-N 0 0 445.569 5.516 50 0 IKAARN CCOc1ccccc1-c1nnc(SCC(=O)c2ccc(Br)cc2)n1CC ZINC000002880672 555854981 /nfs/dbraw/zinc/85/49/81/555854981.db2.gz XPKKEGKDIWLPRR-UHFFFAOYSA-N 0 0 446.370 5.101 50 0 IKAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c1 ZINC000002881122 555855189 /nfs/dbraw/zinc/85/51/89/555855189.db2.gz IXXIIFXVDJCMAR-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN O=C(CSCc1ccccc1Cl)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002881497 555855626 /nfs/dbraw/zinc/85/56/26/555855626.db2.gz IQODQBCAUGQPQH-UHFFFAOYSA-N 0 0 435.936 5.929 50 0 IKAARN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000002881541 555855636 /nfs/dbraw/zinc/85/56/36/555855636.db2.gz KORLUAYQYAYLJH-UHFFFAOYSA-N 0 0 449.359 6.209 50 0 IKAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)c1 ZINC000002881776 555855946 /nfs/dbraw/zinc/85/59/46/555855946.db2.gz OTDMQYKIKSBIRR-UHFFFAOYSA-N 0 0 426.582 5.033 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)Nc1ccc(Br)cc1-2 ZINC000002882645 555856252 /nfs/dbraw/zinc/85/62/52/555856252.db2.gz HBHBDZBLICSMLL-OAHLLOKOSA-N 0 0 435.734 5.180 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(OCc3ccccc3)c1)Nc1ccccc1-2 ZINC000002882501 555856307 /nfs/dbraw/zinc/85/63/07/555856307.db2.gz YMTDWZMOPNSGNI-HSZRJFAPSA-N 0 0 442.544 5.733 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1)c1cc2ccccc2o1 ZINC000002883262 555856539 /nfs/dbraw/zinc/85/65/39/555856539.db2.gz NFIFZGKQTKSKSL-UHFFFAOYSA-N 0 0 425.271 6.244 50 0 IKAARN COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1NC(=O)c1ccco1 ZINC000002884166 555856864 /nfs/dbraw/zinc/85/68/64/555856864.db2.gz DROCOOUJVMETDV-UHFFFAOYSA-N 0 0 435.263 5.108 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000002884304 555857176 /nfs/dbraw/zinc/85/71/76/555857176.db2.gz GZGXSJXAVXQAAN-OAQYLSRUSA-N 0 0 436.555 5.772 50 0 IKAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)n1 ZINC000002884579 555857208 /nfs/dbraw/zinc/85/72/08/555857208.db2.gz RKPGNAXWWDXJMB-UHFFFAOYSA-N 0 0 426.954 5.689 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000002884248 555857250 /nfs/dbraw/zinc/85/72/50/555857250.db2.gz BPQIKSUCZFTZTF-UHFFFAOYSA-N 0 0 429.501 5.120 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002884959 555857465 /nfs/dbraw/zinc/85/74/65/555857465.db2.gz AROQCUDOMFTUML-UHFFFAOYSA-N 0 0 437.977 5.672 50 0 IKAARN CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000002884756 555857528 /nfs/dbraw/zinc/85/75/28/555857528.db2.gz LSJRKUZFVFSKLD-UHFFFAOYSA-N 0 0 440.590 5.387 50 0 IKAARN Cc1ccc(F)cc1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000002887820 555858738 /nfs/dbraw/zinc/85/87/38/555858738.db2.gz HDDSYKKOOYKOKB-UHFFFAOYSA-N 0 0 439.434 5.714 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000002887871 555858775 /nfs/dbraw/zinc/85/87/75/555858775.db2.gz AJFILDLMWATQFD-UHFFFAOYSA-N 0 0 433.891 6.155 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002891111 555859979 /nfs/dbraw/zinc/85/99/79/555859979.db2.gz WEJCGDUFKCQBBB-UHFFFAOYSA-N 0 0 436.511 5.699 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3O)oc2c1 ZINC000002891129 555859991 /nfs/dbraw/zinc/85/99/91/555859991.db2.gz LMXZPNWADWGGBA-UHFFFAOYSA-N 0 0 437.908 5.289 50 0 IKAARN COc1cc(OC)c(CNc2cc(-c3ccccc3)ccc2OC)cc1Br ZINC000002894089 555860158 /nfs/dbraw/zinc/86/01/58/555860158.db2.gz AYQMSDSZQYUFEF-UHFFFAOYSA-N 0 0 428.326 5.754 50 0 IKAARN O=P(Nc1ccc(SC(F)(F)F)cc1)(Oc1ccccc1)Oc1ccccc1 ZINC000002900656 555860587 /nfs/dbraw/zinc/86/05/87/555860587.db2.gz CKMVSTRHQDRPLX-UHFFFAOYSA-N 0 0 425.368 6.977 50 0 IKAARN CC(C)(C)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc(C(C)(C)C)c1F ZINC000002904622 555860849 /nfs/dbraw/zinc/86/08/49/555860849.db2.gz PEHPXJFWKYQIDA-UHFFFAOYSA-N 0 0 431.495 6.240 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000002904353 555860951 /nfs/dbraw/zinc/86/09/51/555860951.db2.gz YCNMQHAOSJZSSU-UHFFFAOYSA-N 0 0 440.952 5.794 50 0 IKAARN CN(C(=O)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1)c1ccccc1 ZINC000034723005 555861023 /nfs/dbraw/zinc/86/10/23/555861023.db2.gz NPJGXJNAGDFKBA-UHFFFAOYSA-N 0 0 436.483 5.944 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccccc3OCc3ccccc3)n2)c(OC)c1 ZINC000034723156 555861349 /nfs/dbraw/zinc/86/13/49/555861349.db2.gz IXXIUBXTWMLTHQ-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(Cl)cc2Cl)n1 ZINC000034723229 555861595 /nfs/dbraw/zinc/86/15/95/555861595.db2.gz NTHHNMXZAUCCEL-UHFFFAOYSA-N 0 0 433.360 5.836 50 0 IKAARN O=C(c1csc(-c2ccccc2OCc2cccc(Cl)c2)n1)N1CCSCC1 ZINC000034723188 555861658 /nfs/dbraw/zinc/86/16/58/555861658.db2.gz ORAIJDFULZLCFL-UHFFFAOYSA-N 0 0 430.982 5.232 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(Cl)cc2Cl)n1 ZINC000034723232 555861714 /nfs/dbraw/zinc/86/17/14/555861714.db2.gz DDMAQWZICZKOGL-UHFFFAOYSA-N 0 0 435.376 6.176 50 0 IKAARN Cc1ccc(Nc2c(=O)n(C)c3ccc(Br)c4c3c2-c2ccccc2C4=O)cc1 ZINC000002910585 555861957 /nfs/dbraw/zinc/86/19/57/555861957.db2.gz SRFFTGOROFDGNS-UHFFFAOYSA-N 0 0 445.316 5.564 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1c(OCC)ccc3ccccc31)Nc1ccccc1-2 ZINC000002912854 555862386 /nfs/dbraw/zinc/86/23/86/555862386.db2.gz HTYQOHLHDSWMDJ-QHCPKHFHSA-N 0 0 444.560 6.096 50 0 IKAARN COc1ccc(NC(=O)c2cc3cc(OC)c(OC)cc3c(-c3ccc(C)cc3)c2)cc1 ZINC000002917865 555862679 /nfs/dbraw/zinc/86/26/79/555862679.db2.gz YUBUTXNIFIPAGU-UHFFFAOYSA-N 0 0 427.500 6.093 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 ZINC000002917820 555862830 /nfs/dbraw/zinc/86/28/30/555862830.db2.gz BWAJXCFVOFBIHP-YADHBBJMSA-N 0 0 448.935 5.214 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccccc3)C1[C@H](c1ccccc1Cl)O2 ZINC000002917978 555862969 /nfs/dbraw/zinc/86/29/69/555862969.db2.gz UNRBLJPOHDVRCY-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(Br)o1)Nc1ccccc1-2 ZINC000002919692 555863128 /nfs/dbraw/zinc/86/31/28/555863128.db2.gz IYMFTQFMAVCNGF-MRXNPFEDSA-N 0 0 433.331 5.289 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000002925449 555863798 /nfs/dbraw/zinc/86/37/98/555863798.db2.gz BAYPQPCZYQLJDR-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)cccc1-c1nc2ccccc2o1 ZINC000002930375 555864182 /nfs/dbraw/zinc/86/41/82/555864182.db2.gz JYCHBYMPUIQIMC-UHFFFAOYSA-N 0 0 434.495 6.635 50 0 IKAARN COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@@H](C(Cl)(Cl)Cl)O2)cc1OC ZINC000002930930 555864188 /nfs/dbraw/zinc/86/41/88/555864188.db2.gz FOJOACSAQGXUKD-IBGZPJMESA-N 0 0 445.726 5.661 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000002932967 555864207 /nfs/dbraw/zinc/86/42/07/555864207.db2.gz SJVGQUXDFODSJJ-FGZHOGPDSA-N 0 0 448.566 6.336 50 0 IKAARN O=C(Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1)c1ccccc1Cl ZINC000002936206 555864417 /nfs/dbraw/zinc/86/44/17/555864417.db2.gz QQZJSOQOTDLTLZ-UHFFFAOYSA-N 0 0 428.941 6.633 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(OCc2ccccc2)cc1 ZINC000002936790 555864456 /nfs/dbraw/zinc/86/44/56/555864456.db2.gz OKXGJSAILXAEQW-UHFFFAOYSA-N 0 0 436.467 6.032 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3O)nc2c1 ZINC000002934979 555864487 /nfs/dbraw/zinc/86/44/87/555864487.db2.gz LRVIASYZHVXXPP-UHFFFAOYSA-N 0 0 427.287 6.322 50 0 IKAARN CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC(C)(C)OC2 ZINC000002945076 555865072 /nfs/dbraw/zinc/86/50/72/555865072.db2.gz XYEGGKAQDSMCIQ-UHFFFAOYSA-N 0 0 449.572 5.547 50 0 IKAARN COc1ccc(CCCNC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC ZINC000002947700 555865736 /nfs/dbraw/zinc/86/57/36/555865736.db2.gz VFJSFQDNDBTKRC-VWLOTQADSA-N 0 0 443.587 5.376 50 0 IKAARN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000002951058 555866022 /nfs/dbraw/zinc/86/60/22/555866022.db2.gz KKBPWDXORYCQLO-UHFFFAOYSA-N 0 0 443.330 6.287 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(I)ccc1Cl ZINC000002951567 555866032 /nfs/dbraw/zinc/86/60/32/555866032.db2.gz ADTANYDULJXWCO-UHFFFAOYSA-N 0 0 441.574 5.096 50 0 IKAARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000002958525 555867271 /nfs/dbraw/zinc/86/72/71/555867271.db2.gz UILKPMXCCDFHLI-RQZCQDPDSA-N 0 0 440.373 6.300 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccccc1Cl ZINC000002958228 555867307 /nfs/dbraw/zinc/86/73/07/555867307.db2.gz ISMPPUNOUJZJJM-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN Clc1ccc(Cc2noc(-c3ccc(I)cc3)n2)c(Cl)c1 ZINC000002962709 555867906 /nfs/dbraw/zinc/86/79/06/555867906.db2.gz KWBNGSRPUXVMAS-UHFFFAOYSA-N 0 0 431.060 5.239 50 0 IKAARN CN(Cc1ccco1)C(=O)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1 ZINC000034717430 555867994 /nfs/dbraw/zinc/86/79/94/555867994.db2.gz OLLPMRBBZFUZLP-UHFFFAOYSA-N 0 0 440.471 5.533 50 0 IKAARN CCOC(=O)[C@@H]1CCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)cc1 ZINC000002963186 555868222 /nfs/dbraw/zinc/86/82/22/555868222.db2.gz HSGZDBKSGJHBGJ-YKSBVNFPSA-N 0 0 448.360 6.496 50 0 IKAARN CCCCN(CCCC)C(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000002964437 555868438 /nfs/dbraw/zinc/86/84/38/555868438.db2.gz QPRGBMXFFUQQJR-UHFFFAOYSA-N 0 0 426.380 5.020 50 0 IKAARN O[C@@H](Cn1nc(-c2ccccc2)cc1-c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002968256 555868589 /nfs/dbraw/zinc/86/85/89/555868589.db2.gz ATMQAMBJEBBPPX-XMMPIXPASA-N 0 0 443.550 6.386 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1sc2ccccc2c1Cl ZINC000002968757 555868988 /nfs/dbraw/zinc/86/89/88/555868988.db2.gz JZPNKGOMZUQCMF-UHFFFAOYSA-N 0 0 439.323 7.269 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000002968804 555868997 /nfs/dbraw/zinc/86/89/97/555868997.db2.gz DBRVALMOCAGBQQ-UHFFFAOYSA-N 0 0 431.706 6.636 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000034728934 555869109 /nfs/dbraw/zinc/86/91/09/555869109.db2.gz OLNVOJFKWVEXPH-UHFFFAOYSA-N 0 0 447.966 5.624 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)oc2cc1C ZINC000002969536 555869130 /nfs/dbraw/zinc/86/91/30/555869130.db2.gz AIBDICQXQFIBIH-UHFFFAOYSA-N 0 0 432.932 7.232 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(Cl)c(Cl)c1 ZINC000002972551 555869708 /nfs/dbraw/zinc/86/97/08/555869708.db2.gz QFGKUDGMTDSWGF-UHFFFAOYSA-N 0 0 442.165 6.440 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000002975836 555870041 /nfs/dbraw/zinc/87/00/41/555870041.db2.gz SBLQSWPNAZITEJ-UHFFFAOYSA-N 0 0 429.328 6.288 50 0 IKAARN C[C@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C)C2)c1ccccc1 ZINC000002974525 555870081 /nfs/dbraw/zinc/87/00/81/555870081.db2.gz YRIKZZWYEPYQQT-HOTGVXAUSA-N 0 0 436.552 5.755 50 0 IKAARN Cc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)s1 ZINC000002977899 555870392 /nfs/dbraw/zinc/87/03/92/555870392.db2.gz YHJXDDKYQGNCTD-NRFANRHFSA-N 0 0 432.574 6.012 50 0 IKAARN Cc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)s1 ZINC000002977898 555870401 /nfs/dbraw/zinc/87/04/01/555870401.db2.gz YHJXDDKYQGNCTD-OAQYLSRUSA-N 0 0 432.574 6.012 50 0 IKAARN O=C(Nc1nnc(CSCc2ccc(Cl)cc2Cl)s1)Nc1ccc(F)cc1 ZINC000002978265 555870646 /nfs/dbraw/zinc/87/06/46/555870646.db2.gz URLGXPGFCORHED-UHFFFAOYSA-N 0 0 443.356 6.061 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1Cl ZINC000002979768 555871531 /nfs/dbraw/zinc/87/15/31/555871531.db2.gz RNUQKGDLAVVKME-UHFFFAOYSA-N 0 0 443.355 6.839 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1I ZINC000002979776 555871597 /nfs/dbraw/zinc/87/15/97/555871597.db2.gz XKCMDTCJVASFNG-UHFFFAOYSA-N 0 0 449.675 5.989 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl ZINC000002980058 555871922 /nfs/dbraw/zinc/87/19/22/555871922.db2.gz INQLSLIUVMSQJV-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4)c3C)oc2c(C)c1 ZINC000002980803 555872217 /nfs/dbraw/zinc/87/22/17/555872217.db2.gz UJVDGZKOYKUBJR-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000002982151 555872483 /nfs/dbraw/zinc/87/24/83/555872483.db2.gz DSLACGRHNRIXOP-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000002982495 555872808 /nfs/dbraw/zinc/87/28/08/555872808.db2.gz ARBBULRIUFMCEI-UHFFFAOYSA-N 0 0 443.355 6.596 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000002982571 555872864 /nfs/dbraw/zinc/87/28/64/555872864.db2.gz BVSHZWDPPFVFTM-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc1Cl ZINC000002982955 555873096 /nfs/dbraw/zinc/87/30/96/555873096.db2.gz ZMVCKQHZJQWFGS-UHFFFAOYSA-N 0 0 441.314 6.679 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccccc4F)c3C)oc2c(C)c1 ZINC000002982987 555873169 /nfs/dbraw/zinc/87/31/69/555873169.db2.gz XJVYLPYPVUPYIQ-UHFFFAOYSA-N 0 0 433.508 5.686 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)N2CCCC2)C1 ZINC000002983948 555873390 /nfs/dbraw/zinc/87/33/90/555873390.db2.gz QJJWFLMLLMESOI-INIZCTEOSA-N 0 0 445.028 6.041 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 ZINC000002983679 555873410 /nfs/dbraw/zinc/87/34/10/555873410.db2.gz VJRZYCYCUQYTAV-UHFFFAOYSA-N 0 0 445.544 5.637 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)N2CCCC2)C1 ZINC000002983949 555873427 /nfs/dbraw/zinc/87/34/27/555873427.db2.gz QJJWFLMLLMESOI-MRXNPFEDSA-N 0 0 445.028 6.041 50 0 IKAARN CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002984025 555873438 /nfs/dbraw/zinc/87/34/38/555873438.db2.gz XKURGXBLOQZTEC-NRFANRHFSA-N 0 0 444.556 5.632 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000002984774 555873780 /nfs/dbraw/zinc/87/37/80/555873780.db2.gz FFIZQOCEQZLQSD-UHFFFAOYSA-N 0 0 433.558 5.489 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2C)cc1 ZINC000002984987 555873791 /nfs/dbraw/zinc/87/37/91/555873791.db2.gz FLICVSLZOVFXRG-UHFFFAOYSA-N 0 0 428.532 6.851 50 0 IKAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CC[C@H](C(C)(C)C)C2 ZINC000002985670 555873988 /nfs/dbraw/zinc/87/39/88/555873988.db2.gz LXISAGGBRNFDBA-ZDUSSCGKSA-N 0 0 438.515 6.129 50 0 IKAARN CCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002986905 555874256 /nfs/dbraw/zinc/87/42/56/555874256.db2.gz XJKOKMYMQZEULI-CQSZACIVSA-N 0 0 433.017 5.945 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1Cl ZINC000002986525 555874361 /nfs/dbraw/zinc/87/43/61/555874361.db2.gz BSWKVZZPEZGYJF-UHFFFAOYSA-N 0 0 447.705 6.716 50 0 IKAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C(=O)OC)CC[C@@H](C(C)(C)C)C2 ZINC000002991096 555874875 /nfs/dbraw/zinc/87/48/75/555874875.db2.gz NFOXADPQQHCULZ-CQSZACIVSA-N 0 0 442.581 5.287 50 0 IKAARN COc1ccc(/C=C(/C(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2)cc1 ZINC000002989575 555874966 /nfs/dbraw/zinc/87/49/66/555874966.db2.gz AUJQGKPTSNUMAB-XHLNEMQHSA-N 0 0 433.551 6.465 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002991715 555875202 /nfs/dbraw/zinc/87/52/02/555875202.db2.gz PYYJKWGSWLNEGJ-UHFFFAOYSA-N 0 0 425.513 6.487 50 0 IKAARN Cc1nc2cc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)ccc2n1-c1ccccc1 ZINC000010547953 555875406 /nfs/dbraw/zinc/87/54/06/555875406.db2.gz RHCBVCWUAMMDQH-UHFFFAOYSA-N 0 0 436.471 5.432 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000002992882 555875480 /nfs/dbraw/zinc/87/54/80/555875480.db2.gz OBDCMTZHXCMUFT-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN O=C(Nc1ccccc1)c1c(Br)sc(-c2ccccc2)c1-c1ccccc1 ZINC000002997980 555876650 /nfs/dbraw/zinc/87/66/50/555876650.db2.gz WZXFKVXCAWPNNF-UHFFFAOYSA-N 0 0 434.358 7.097 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3)oc2c1 ZINC000002998458 555876965 /nfs/dbraw/zinc/87/69/65/555876965.db2.gz JNESVBPDWYECEL-UHFFFAOYSA-N 0 0 443.572 6.228 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000003000013 555877570 /nfs/dbraw/zinc/87/75/70/555877570.db2.gz JDCZMOHWNQSEOF-UHFFFAOYSA-N 0 0 449.963 6.091 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1sc2ccccc2c1Cl ZINC000002999646 555877606 /nfs/dbraw/zinc/87/76/06/555877606.db2.gz ZEECEKNSPWOGSF-UHFFFAOYSA-N 0 0 449.782 6.693 50 0 IKAARN Cc1cc(C)c(CSc2nnc(NC(=O)c3ccccc3Br)s2)c(C)c1 ZINC000003000293 555877644 /nfs/dbraw/zinc/87/76/44/555877644.db2.gz WMSMVBVYAYBGDW-UHFFFAOYSA-N 0 0 448.411 5.770 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(Br)cc1 ZINC000003002594 555877902 /nfs/dbraw/zinc/87/79/02/555877902.db2.gz SSZNQUNHOOKZMB-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)Nc1ccc(Br)cc1-2 ZINC000003001044 555877910 /nfs/dbraw/zinc/87/79/10/555877910.db2.gz IPFWSAHLJZGYIB-INIZCTEOSA-N 0 0 449.761 5.570 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1)c1c(F)cccc1F ZINC000034733985 555878395 /nfs/dbraw/zinc/87/83/95/555878395.db2.gz POKZMMCLQPMHSX-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(N2CCCN([C@H](C)c3ccccc3)C2=O)cc1)c1ccccc1 ZINC000034734193 555878715 /nfs/dbraw/zinc/87/87/15/555878715.db2.gz GBAKSADGAOOQEI-QFQXNSOFSA-N 0 0 441.575 6.212 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(N2CCCN([C@H](C)c3ccccc3)C2=O)cc1)c1ccccc1 ZINC000034734190 555878755 /nfs/dbraw/zinc/87/87/55/555878755.db2.gz GBAKSADGAOOQEI-RLWLMLJZSA-N 0 0 441.575 6.212 50 0 IKAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 ZINC000003011619 555879061 /nfs/dbraw/zinc/87/90/61/555879061.db2.gz AOKRXBYQBKYXIW-UYAOXDASSA-N 0 0 444.457 5.421 50 0 IKAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 ZINC000003011621 555879103 /nfs/dbraw/zinc/87/91/03/555879103.db2.gz AOKRXBYQBKYXIW-ICSRJNTNSA-N 0 0 444.457 5.421 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)cc1 ZINC000003012165 555879369 /nfs/dbraw/zinc/87/93/69/555879369.db2.gz HSRFFTWXDYLKGR-UHFFFAOYSA-N 0 0 448.478 5.840 50 0 IKAARN CCOc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000003012801 555879655 /nfs/dbraw/zinc/87/96/55/555879655.db2.gz ALAWDGDPEKPIKC-UXHICEINSA-N 0 0 444.457 5.503 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 ZINC000003012822 555879974 /nfs/dbraw/zinc/87/99/74/555879974.db2.gz LJYHGXUHYGLEGL-ZWKOTPCHSA-N 0 0 436.522 5.796 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 ZINC000003012820 555879992 /nfs/dbraw/zinc/87/99/92/555879992.db2.gz LJYHGXUHYGLEGL-QZTJIDSGSA-N 0 0 436.522 5.796 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1 ZINC000034734664 555880297 /nfs/dbraw/zinc/88/02/97/555880297.db2.gz RUMYFHOUFVMMHU-UHFFFAOYSA-N 0 0 441.575 5.824 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)c4ccccc4C)cc3)C2=O)c1 ZINC000034734802 555880573 /nfs/dbraw/zinc/88/05/73/555880573.db2.gz KLJVLVZUMNGCPF-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000003016930 555880954 /nfs/dbraw/zinc/88/09/54/555880954.db2.gz BBXINHGZPHIQQU-UHFFFAOYSA-N 0 0 444.918 5.966 50 0 IKAARN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1)c1ccc(Br)cc1 ZINC000003016980 555880960 /nfs/dbraw/zinc/88/09/60/555880960.db2.gz MMQCSHHCMPKGCR-XSFVSMFZSA-N 0 0 448.272 5.013 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2ccc(F)cc2)C1=O)c1c(F)cccc1F ZINC000034734878 555880968 /nfs/dbraw/zinc/88/09/68/555880968.db2.gz XCMNZSZRMCXREX-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1 ZINC000003016925 555880971 /nfs/dbraw/zinc/88/09/71/555880971.db2.gz DJICCFLRXCVCQE-LFVJCYFKSA-N 0 0 445.946 6.561 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O)c1ccccc1F ZINC000034735006 555881199 /nfs/dbraw/zinc/88/11/99/555881199.db2.gz NUVIIXWVDYMLSN-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003018992 555881204 /nfs/dbraw/zinc/88/12/04/555881204.db2.gz WVOIEORSEWMOPI-RFKZRZAASA-N 0 0 449.559 5.354 50 0 IKAARN COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(Cl)c1OC(C)C ZINC000010545575 555882675 /nfs/dbraw/zinc/88/26/75/555882675.db2.gz FXYXYOFSYMCYBQ-HNNXBMFYSA-N 0 0 427.932 5.032 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2C)cc1N1CCCN(Cc2ccccc2F)C1=O ZINC000034739763 555882718 /nfs/dbraw/zinc/88/27/18/555882718.db2.gz BNUFXBMIWQABGW-UHFFFAOYSA-N 0 0 447.510 5.227 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)c3ccc(F)cc3)C2=O)c1 ZINC000034735253 555885108 /nfs/dbraw/zinc/88/51/08/555885108.db2.gz NZFWWRNLUMELHB-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)c1 ZINC000034735305 555885554 /nfs/dbraw/zinc/88/55/54/555885554.db2.gz IYJAQNIUYZDOJG-UHFFFAOYSA-N 0 0 431.511 5.148 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4c(F)cccc4F)c3)C2=O)c1 ZINC000034735589 555885772 /nfs/dbraw/zinc/88/57/72/555885772.db2.gz AFQDEVPRKRJJNR-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)COc4ccccc4)c3)C2=O)c1 ZINC000034735584 555885785 /nfs/dbraw/zinc/88/57/85/555885785.db2.gz AIAUATQDJQURCE-UHFFFAOYSA-N 0 0 443.547 5.153 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4ccc(Cl)cc4)c3)C2=O)c1 ZINC000034735555 555885847 /nfs/dbraw/zinc/88/58/47/555885847.db2.gz BDHGQBZCHGBEQJ-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000034735803 555886047 /nfs/dbraw/zinc/88/60/47/555886047.db2.gz VHWPQLYFRIBTDT-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2C)c1 ZINC000034735936 555886086 /nfs/dbraw/zinc/88/60/86/555886086.db2.gz YUZZVIRNUDUTNZ-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C)cc3NC(=O)Cc3cccs3)C2=O)cc1 ZINC000034735854 555886133 /nfs/dbraw/zinc/88/61/33/555886133.db2.gz GGSVRKNGXBGQPX-UHFFFAOYSA-N 0 0 433.577 5.378 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c(NC(=O)c2ccccc2C)c1 ZINC000034735745 555886139 /nfs/dbraw/zinc/88/61/39/555886139.db2.gz UEOCMCRPWZDORR-UHFFFAOYSA-N 0 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ZINC000034737375 555888257 /nfs/dbraw/zinc/88/82/57/555888257.db2.gz SGKSFWFFWXEBNW-NRFANRHFSA-N 0 0 442.563 5.710 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCN([C@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000034737536 555888436 /nfs/dbraw/zinc/88/84/36/555888436.db2.gz JSYFKTAPXFUVDV-HXUWFJFHSA-N 0 0 449.576 5.189 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1cc(Cl)cc(Cl)c1 ZINC000003119812 555888764 /nfs/dbraw/zinc/88/87/64/555888764.db2.gz CTGWNRYHQITESX-UHFFFAOYSA-N 0 0 431.102 6.621 50 0 IKAARN O=S(=O)(NSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000003121643 555889079 /nfs/dbraw/zinc/88/90/79/555889079.db2.gz AKQNJXOVPJULNN-UHFFFAOYSA-N 0 0 437.584 5.939 50 0 IKAARN Cc1ccc(NC(=O)C(Nc2ccc(C)cc2)(Nc2ccc(C)cc2)C(F)(F)F)cc1 ZINC000003124363 555889661 /nfs/dbraw/zinc/88/96/61/555889661.db2.gz QYEQECUVFRBJQW-UHFFFAOYSA-N 0 0 427.470 6.033 50 0 IKAARN CC(C)(C)c1cc2nc(C(F)(F)F)cc(SCCOC(=O)c3cccs3)n2n1 ZINC000003127054 555889678 /nfs/dbraw/zinc/88/96/78/555889678.db2.gz LRZZEWUBOHNVHN-UHFFFAOYSA-N 0 0 429.489 5.056 50 0 IKAARN Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OCC(F)(F)F)nc1 ZINC000003129651 555889906 /nfs/dbraw/zinc/88/99/06/555889906.db2.gz HPZDPWMDVUADNQ-UHFFFAOYSA-N 0 0 448.392 5.129 50 0 IKAARN COc1c(Br)cccc1C1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 ZINC000003132935 555890509 /nfs/dbraw/zinc/89/05/09/555890509.db2.gz SOISMXBOHGQIBL-UHFFFAOYSA-N 0 0 437.381 6.100 50 0 IKAARN Cc1cc2c3c(c1)c(OC(=O)c1c(F)cccc1Cl)c(-c1ccccc1)c(=O)n3CCC2 ZINC000003134002 555890570 /nfs/dbraw/zinc/89/05/70/555890570.db2.gz INRKGDANFMIGBT-UHFFFAOYSA-N 0 0 447.893 5.935 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OC(=O)c1ccccc1 ZINC000003139353 555891468 /nfs/dbraw/zinc/89/14/68/555891468.db2.gz TYWKIYZKPQLUJJ-JOCHJYFZSA-N 0 0 448.544 5.099 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)cc1 ZINC000003144070 555891596 /nfs/dbraw/zinc/89/15/96/555891596.db2.gz BDROFLAASSZXPP-UHFFFAOYSA-N 0 0 448.478 5.415 50 0 IKAARN COc1cccc(C(=O)Nc2cc(N3CCCN(Cc4ccccc4)C3=O)ccc2Cl)c1 ZINC000034739644 555892039 /nfs/dbraw/zinc/89/20/39/555892039.db2.gz PFKWWSSRAKMFAD-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN O=C(Oc1ccc(Sc2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000003158158 555892591 /nfs/dbraw/zinc/89/25/91/555892591.db2.gz DIPBBCSWTSMLAY-UHFFFAOYSA-N 0 0 426.493 6.276 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)oc3ccccc34)sc2c1 ZINC000003165778 555893345 /nfs/dbraw/zinc/89/33/45/555893345.db2.gz TVIZSROIJQHAOZ-UHFFFAOYSA-N 0 0 434.542 6.325 50 0 IKAARN C[C@H](NC(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000034785573 555896232 /nfs/dbraw/zinc/89/62/32/555896232.db2.gz XJVNVJPDMKPRFL-HNNXBMFYSA-N 0 0 449.917 5.797 50 0 IKAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1 ZINC000034746380 555897452 /nfs/dbraw/zinc/89/74/52/555897452.db2.gz NNSRSFWJVOMXKO-QFIPXVFZSA-N 0 0 443.330 5.098 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc(Br)c4)c3C)oc2c(C)c1 ZINC000003206508 555898341 /nfs/dbraw/zinc/89/83/41/555898341.db2.gz KVOBHTYXVMXLFC-UHFFFAOYSA-N 0 0 435.321 6.435 50 0 IKAARN Cn1nc(-c2ccc(OCc3ccccc3)cc2O)c(Oc2ccccc2)c1C(F)(F)F ZINC000003213199 555899016 /nfs/dbraw/zinc/89/90/16/555899016.db2.gz JSCHWDFVVMEXNR-UHFFFAOYSA-N 0 0 440.421 6.183 50 0 IKAARN Cc1ccc(CN2CCc3nc(N4CCC(C)CC4)nc(Oc4ccccc4F)c3C2)cc1 ZINC000034755707 555900845 /nfs/dbraw/zinc/90/08/45/555900845.db2.gz GNAUVEBATOXLCW-UHFFFAOYSA-N 0 0 446.570 5.511 50 0 IKAARN Fc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccsc2)CC3)c(F)c1 ZINC000034755867 555901041 /nfs/dbraw/zinc/90/10/41/555901041.db2.gz FDSFDQZYNPYMAU-UHFFFAOYSA-N 0 0 442.535 5.157 50 0 IKAARN COc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(Cc1cccc(C)c1)CC2 ZINC000034755887 555901099 /nfs/dbraw/zinc/90/10/99/555901099.db2.gz RQLIMYJREDMGLR-UHFFFAOYSA-N 0 0 444.579 5.135 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)cc1OC ZINC000003220551 555901733 /nfs/dbraw/zinc/90/17/33/555901733.db2.gz DSOIBWOMOIRVID-UHFFFAOYSA-N 0 0 433.895 5.462 50 0 IKAARN Cc1cccc(C(=O)N2CCc3nc(N4CCCCC4)nc(Oc4ccccc4C)c3C2)c1 ZINC000034760022 555903842 /nfs/dbraw/zinc/90/38/42/555903842.db2.gz JNXUEUFKNFCTGN-UHFFFAOYSA-N 0 0 442.563 5.075 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccs3)[C@@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813384 555910044 /nfs/dbraw/zinc/91/00/44/555910044.db2.gz NFVIUHVZBZSBKV-KRWDZBQOSA-N 0 0 447.560 5.096 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813386 555910076 /nfs/dbraw/zinc/91/00/76/555910076.db2.gz CKVKUINSXLTVBZ-SFHVURJKSA-N 0 0 435.568 5.157 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Cc3cccs3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034813622 555910379 /nfs/dbraw/zinc/91/03/79/555910379.db2.gz RFQAWFBRIOHCCS-SFHVURJKSA-N 0 0 431.561 5.016 50 0 IKAARN COc1cccc(NC(=O)N2CCN(C3=Nc4ccc(C)cc4Oc4ccccc43)CC2)c1 ZINC000034813943 555910605 /nfs/dbraw/zinc/91/06/05/555910605.db2.gz XXHJJOQUIKOFLT-UHFFFAOYSA-N 0 0 442.519 5.037 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C1)=N2 ZINC000034813769 555910634 /nfs/dbraw/zinc/91/06/34/555910634.db2.gz PVKBGHCCIDXZBZ-IBGZPJMESA-N 0 0 443.522 5.473 50 0 IKAARN COc1ccccc1C(=O)N1CCN(C2=Nc3ccccc3Oc3ccc(C)cc32)C[C@H]1C ZINC000034813641 555910655 /nfs/dbraw/zinc/91/06/55/555910655.db2.gz KUOMKISYZPCDFM-LJQANCHMSA-N 0 0 441.531 5.034 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)Nc3cccc(F)c3)CC1)=N2 ZINC000034814464 555911017 /nfs/dbraw/zinc/91/10/17/555911017.db2.gz LSDAFMRTFMBWCF-UHFFFAOYSA-N 0 0 444.510 5.476 50 0 IKAARN O=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003276778 555912958 /nfs/dbraw/zinc/91/29/58/555912958.db2.gz KHHPHLOXCANWFJ-UHFFFAOYSA-N 0 0 438.483 6.239 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)n2nc(-c3ccccc3)cc2n1 ZINC000034834080 555913480 /nfs/dbraw/zinc/91/34/80/555913480.db2.gz HEUWVLMAKGOHRH-LJQANCHMSA-N 0 0 448.526 5.563 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)C(C)C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834308 555913531 /nfs/dbraw/zinc/91/35/31/555913531.db2.gz WWPLHPOSKURKKU-MRXNPFEDSA-N 0 0 448.954 5.500 50 0 IKAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3cccc(F)c3)cc21 ZINC000034836079 555914295 /nfs/dbraw/zinc/91/42/95/555914295.db2.gz ISEYBYHJPDCELR-UHFFFAOYSA-N 0 0 430.479 5.235 50 0 IKAARN CC(=O)N(Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)Cc1ccccc1 ZINC000003308121 555917685 /nfs/dbraw/zinc/91/76/85/555917685.db2.gz KQUUOXGYUUKUSS-UHFFFAOYSA-N 0 0 431.539 6.241 50 0 IKAARN CC(C)(C)c1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000034795832 555917710 /nfs/dbraw/zinc/91/77/10/555917710.db2.gz JQUWWMMUMZMDCM-UHFFFAOYSA-N 0 0 427.470 6.523 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2F)c1 ZINC000034797029 555918348 /nfs/dbraw/zinc/91/83/48/555918348.db2.gz SRSSJCYTBKODBO-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000034797002 555918366 /nfs/dbraw/zinc/91/83/66/555918366.db2.gz UKILKDCCUNVAOV-RUZDIDTESA-N 0 0 434.536 5.809 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000034797007 555918407 /nfs/dbraw/zinc/91/84/07/555918407.db2.gz VSELYHDKMOIXET-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907677 555921003 /nfs/dbraw/zinc/92/10/03/555921003.db2.gz DIRZPGKZVHNAAE-JOCHJYFZSA-N 0 0 432.907 5.891 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(OC)cc4)ccc3o2)cc1 ZINC000034907924 555921223 /nfs/dbraw/zinc/92/12/23/555921223.db2.gz NNTIIXINTYOJBO-XMMPIXPASA-N 0 0 426.516 6.043 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)c1 ZINC000034908028 555921265 /nfs/dbraw/zinc/92/12/65/555921265.db2.gz QBUSJYWDOIFPRI-JOCHJYFZSA-N 0 0 434.442 5.759 50 0 IKAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908039 555921270 /nfs/dbraw/zinc/92/12/70/555921270.db2.gz XDIOJQQPDJZFMB-QFIPXVFZSA-N 0 0 436.433 5.818 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908001 555921294 /nfs/dbraw/zinc/92/12/94/555921294.db2.gz PDSATHJGNKBRMI-NRFANRHFSA-N 0 0 438.861 6.404 50 0 IKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)COc4ccccc4)nc3c2)ccc1F ZINC000034908066 555921306 /nfs/dbraw/zinc/92/13/06/555921306.db2.gz MCOQFMJNDSOFSD-QHCPKHFHSA-N 0 0 430.479 5.685 50 0 IKAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908331 555921487 /nfs/dbraw/zinc/92/14/87/555921487.db2.gz POPARVABLNBOBB-HSZRJFAPSA-N 0 0 441.531 5.547 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccc(F)cc4)nc3c2)cc1 ZINC000034908277 555921524 /nfs/dbraw/zinc/92/15/24/555921524.db2.gz DXKVQYCJKIOMTH-HSZRJFAPSA-N 0 0 429.495 5.677 50 0 IKAARN COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)c1 ZINC000034908177 555921558 /nfs/dbraw/zinc/92/15/58/555921558.db2.gz CITNQTVNECLWNK-QHCPKHFHSA-N 0 0 446.478 5.628 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccc(Cl)cc4)nc3c2)cc1 ZINC000034908282 555921604 /nfs/dbraw/zinc/92/16/04/555921604.db2.gz STKJZFBPUXJYBZ-QHCPKHFHSA-N 0 0 445.950 6.192 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1C ZINC000034908497 555921822 /nfs/dbraw/zinc/92/18/22/555921822.db2.gz WMTGFUZHWQPZBP-QHCPKHFHSA-N 0 0 429.495 6.620 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908470 555921826 /nfs/dbraw/zinc/92/18/26/555921826.db2.gz RGVNNHDVFGLVKL-OAQYLSRUSA-N 0 0 435.886 6.656 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1C ZINC000034908496 555921831 /nfs/dbraw/zinc/92/18/31/555921831.db2.gz WMTGFUZHWQPZBP-HSZRJFAPSA-N 0 0 429.495 6.620 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1 ZINC000034908485 555921902 /nfs/dbraw/zinc/92/19/02/555921902.db2.gz YDZWEZBJGITJHV-QHCPKHFHSA-N 0 0 429.495 6.565 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4OC)ccc3o2)cc1 ZINC000034908449 555921908 /nfs/dbraw/zinc/92/19/08/555921908.db2.gz MPSNKLMUMXUVGN-QHCPKHFHSA-N 0 0 426.516 6.043 50 0 IKAARN COc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)Nc4ccc(C)c(C)c4)nc3c2)c1 ZINC000034908644 555922066 /nfs/dbraw/zinc/92/20/66/555922066.db2.gz KTEGYUCXWMJLJP-XMMPIXPASA-N 0 0 441.531 6.489 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908554 555922087 /nfs/dbraw/zinc/92/20/87/555922087.db2.gz GATQUHOLNJGKJD-HSZRJFAPSA-N 0 0 429.495 6.565 50 0 IKAARN COc1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)Nc4ccccc4F)nc3c2)cc1 ZINC000034908617 555922165 /nfs/dbraw/zinc/92/21/65/555922165.db2.gz UZSARGFRUVVSJD-JOCHJYFZSA-N 0 0 431.467 6.012 50 0 IKAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908800 555922364 /nfs/dbraw/zinc/92/23/64/555922364.db2.gz BUWMKYVKUDAUPX-OAQYLSRUSA-N 0 0 431.467 6.012 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908796 555922397 /nfs/dbraw/zinc/92/23/97/555922397.db2.gz TWEQQOGJNYXMMC-HSZRJFAPSA-N 0 0 429.495 6.565 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)c(C)c1 ZINC000034908754 555922467 /nfs/dbraw/zinc/92/24/67/555922467.db2.gz VATKIYCZUBUFAV-HSZRJFAPSA-N 0 0 447.485 6.759 50 0 IKAARN CC(C)(C)NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908884 555922651 /nfs/dbraw/zinc/92/26/51/555922651.db2.gz NBCQUWWTAYUPCH-GOSISDBHSA-N 0 0 431.458 6.159 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)c(C)c1 ZINC000034908806 555922653 /nfs/dbraw/zinc/92/26/53/555922653.db2.gz QNKVQEPPHNWVRZ-HSZRJFAPSA-N 0 0 429.495 6.620 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)NC4CCCCC4)nc3c2)cc1 ZINC000034908838 555922660 /nfs/dbraw/zinc/92/26/60/555922660.db2.gz JJOAZCQZYWWIJG-QHCPKHFHSA-N 0 0 432.568 5.740 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908818 555922670 /nfs/dbraw/zinc/92/26/70/555922670.db2.gz PAWMUZDTECRICU-JOCHJYFZSA-N 0 0 445.494 6.402 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908863 555922675 /nfs/dbraw/zinc/92/26/75/555922675.db2.gz KOMSTVDJGHQFLK-DEOSSOPVSA-N 0 0 440.547 6.238 50 0 IKAARN CCCCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908879 555922698 /nfs/dbraw/zinc/92/26/98/555922698.db2.gz UQXDZJSQLBUDLV-IBGZPJMESA-N 0 0 431.458 6.160 50 0 IKAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3cc(-c4cccc(C)c4)ccc3o2)cc1 ZINC000034909078 555922706 /nfs/dbraw/zinc/92/27/06/555922706.db2.gz PFQUNLCBGKEQRO-QHCPKHFHSA-N 0 0 448.544 5.338 50 0 IKAARN Cc1cccc(-n2nc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)nc2-c2ccco2)c1 ZINC000034911485 555923611 /nfs/dbraw/zinc/92/36/11/555923611.db2.gz GTQBUEBXNTXPKH-DEOSSOPVSA-N 0 0 448.526 5.550 50 0 IKAARN Cc1cccc(-n2nc(C(=O)N[C@H]3CCCc4ccccc43)nc2CCc2ccccc2)c1 ZINC000034911717 555923627 /nfs/dbraw/zinc/92/36/27/555923627.db2.gz FZOVZYOVNGKEJA-VWLOTQADSA-N 0 0 436.559 5.168 50 0 IKAARN Cc1ccc(-n2nc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)nc2-c2ccoc2)cc1 ZINC000034911251 555923675 /nfs/dbraw/zinc/92/36/75/555923675.db2.gz LTKDZUCTAOLVQB-VWLOTQADSA-N 0 0 448.526 5.550 50 0 IKAARN CCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000034859329 555924954 /nfs/dbraw/zinc/92/49/54/555924954.db2.gz JKQRFJRXRKTBCE-UHFFFAOYSA-N 0 0 442.556 5.260 50 0 IKAARN CC(C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 ZINC000034889639 555926940 /nfs/dbraw/zinc/92/69/40/555926940.db2.gz JJSALRRQNZDNNV-XMMPIXPASA-N 0 0 448.969 6.529 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003364127 555927316 /nfs/dbraw/zinc/92/73/16/555927316.db2.gz MWIDRIVBFLDTGA-GOSISDBHSA-N 0 0 448.035 7.739 50 0 IKAARN C[C@@H](NC(=O)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2)c1ccccc1 ZINC000034898940 555928308 /nfs/dbraw/zinc/92/83/08/555928308.db2.gz NOATTZFZJXYSQJ-OFNKIYASSA-N 0 0 437.543 5.896 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1cccc(F)c1)C2 ZINC000034898515 555928365 /nfs/dbraw/zinc/92/83/65/555928365.db2.gz KKWWAEWHHDGSRH-NOZRDPDXSA-N 0 0 439.534 5.466 50 0 IKAARN Cc1cc([C@@H]2CCc3nc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3C2)ccc1F ZINC000034898999 555928480 /nfs/dbraw/zinc/92/84/80/555928480.db2.gz CNYUKEOJMWDBRA-HSZRJFAPSA-N 0 0 431.555 5.156 50 0 IKAARN CC[C@H](C)NC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899087 555928599 /nfs/dbraw/zinc/92/85/99/555928599.db2.gz DQWUGPQYKYJXCD-RYUDHWBXSA-N 0 0 433.396 5.179 50 0 IKAARN O=C(c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCCCC1 ZINC000034899095 555928605 /nfs/dbraw/zinc/92/86/05/555928605.db2.gz RAPWFAPVELKHNR-ZDUSSCGKSA-N 0 0 445.407 5.277 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 ZINC000034913506 555929899 /nfs/dbraw/zinc/92/98/99/555929899.db2.gz DWSOSKJXHPPFKZ-LUAWRHEFSA-N 0 0 438.376 6.152 50 0 IKAARN CC(C)c1ccc(N2C[C@@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000034917769 555930948 /nfs/dbraw/zinc/93/09/48/555930948.db2.gz DIKIKFGTDJEWED-SANMLTNESA-N 0 0 440.587 5.434 50 0 IKAARN CCCCCCC(=O)Nc1ccc(N2CCCC[C@@H]2C)c(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000034919726 555931252 /nfs/dbraw/zinc/93/12/52/555931252.db2.gz RTFJOLISWVDGQD-OALUTQOASA-N 0 0 437.650 5.051 50 0 IKAARN O=C(CCC1CCCC1)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921347 555931796 /nfs/dbraw/zinc/93/17/96/555931796.db2.gz LASRAZHFQHVQPC-UHFFFAOYSA-N 0 0 445.556 5.055 50 0 IKAARN CCCCCCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921308 555931855 /nfs/dbraw/zinc/93/18/55/555931855.db2.gz OVAVQOOWHPWECQ-UHFFFAOYSA-N 0 0 433.545 5.055 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccccc2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000034921605 555932080 /nfs/dbraw/zinc/93/20/80/555932080.db2.gz BVIWDZMYSVWEFY-UHFFFAOYSA-N 0 0 433.527 5.196 50 0 IKAARN COc1cccc(Nc2nc(-c3ccc(Cl)cc3)ncc2C(=O)N(C)Cc2ccco2)c1 ZINC000034921893 555932358 /nfs/dbraw/zinc/93/23/58/555932358.db2.gz ZCYJYUBRRVFOFE-UHFFFAOYSA-N 0 0 448.910 5.414 50 0 IKAARN CN(Cc1ccco1)C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922155 555932597 /nfs/dbraw/zinc/93/25/97/555932597.db2.gz YSAIVDSANSUUED-UHFFFAOYSA-N 0 0 428.463 5.954 50 0 IKAARN O=C(NCc1ccccn1)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922150 555932689 /nfs/dbraw/zinc/93/26/89/555932689.db2.gz BUNVWBGIQPHPTP-UHFFFAOYSA-N 0 0 425.463 5.414 50 0 IKAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(C)c2)cc1 ZINC000034924109 555932874 /nfs/dbraw/zinc/93/28/74/555932874.db2.gz FWJCVCPJDOAHQN-LOSJGSFVSA-N 0 0 426.516 5.085 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CC3)[C@H]2c2cccc(C)c2)cc1 ZINC000034924108 555932928 /nfs/dbraw/zinc/93/29/28/555932928.db2.gz FWJCVCPJDOAHQN-RPBOFIJWSA-N 0 0 426.516 5.085 50 0 IKAARN Cc1cccc(CSc2nnc(NC(=O)COc3ccc(C(C)(C)C)cc3)s2)c1 ZINC000003612686 555941148 /nfs/dbraw/zinc/94/11/48/555941148.db2.gz XZAJBXQSVFCKSS-UHFFFAOYSA-N 0 0 427.595 5.454 50 0 IKAARN Cc1ccc(C)c(Cc2c(C)nc3nc(SCc4ccc(F)cc4Cl)nn3c2C)c1 ZINC000003638164 555942728 /nfs/dbraw/zinc/94/27/28/555942728.db2.gz VJDNHTHNOTVWQR-UHFFFAOYSA-N 0 0 440.975 6.034 50 0 IKAARN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)s1 ZINC000003643766 555943350 /nfs/dbraw/zinc/94/33/50/555943350.db2.gz QIYBOQUUBVZITG-QGZVFWFLSA-N 0 0 437.908 5.171 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)oc1ccccc12 ZINC000003642268 555943355 /nfs/dbraw/zinc/94/33/55/555943355.db2.gz RKUHDCAHEIHMID-GFCCVEGCSA-N 0 0 430.287 6.307 50 0 aggregator IKAARN COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)oc1ccccc12 ZINC000003642266 555943370 /nfs/dbraw/zinc/94/33/70/555943370.db2.gz RKUHDCAHEIHMID-LBPRGKRZSA-N 0 0 430.287 6.307 50 0 aggregator IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccccc1-2 ZINC000003645310 555943594 /nfs/dbraw/zinc/94/35/94/555943594.db2.gz MOLIXAXYBLBVGG-SGWGQVFISA-N 0 0 448.935 5.921 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2cccc(F)c2)Nc2ccccc2-3)cc1 ZINC000003653293 555943876 /nfs/dbraw/zinc/94/38/76/555943876.db2.gz JAVLDAIXEKNXND-JOCHJYFZSA-N 0 0 430.508 5.782 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccs2)Nc2ccccc2-3)cc1 ZINC000003653315 555943940 /nfs/dbraw/zinc/94/39/40/555943940.db2.gz MZVGTGKYDNUZPH-IBGZPJMESA-N 0 0 438.965 6.049 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1cc(C)ccc1C)N(C(C)=O)c1ccccc1-2 ZINC000003653291 555944002 /nfs/dbraw/zinc/94/40/02/555944002.db2.gz ONXIOSMXNANEOV-DEOSSOPVSA-N 0 0 448.592 5.882 50 0 IKAARN CCCCOc1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000003668662 555945156 /nfs/dbraw/zinc/94/51/56/555945156.db2.gz QCHPYXPGHNQSIV-RUZDIDTESA-N 0 0 434.486 6.228 50 0 IKAARN Cc1cc2nc3s/c(=C\c4cc(Cl)ccc4OCc4ccccc4)c(=O)n3c2cc1C ZINC000003670081 555945335 /nfs/dbraw/zinc/94/53/35/555945335.db2.gz MVEYJCDYYMGBRM-QRVIBDJDSA-N 0 0 446.959 5.306 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000003765490 555945933 /nfs/dbraw/zinc/94/59/33/555945933.db2.gz DFTWORVGCQVMNX-QFIPXVFZSA-N 0 0 444.749 6.575 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3Cl)nc2c1 ZINC000003770819 555946313 /nfs/dbraw/zinc/94/63/13/555946313.db2.gz GJGBKNDLIDZEQB-UHFFFAOYSA-N 0 0 448.950 6.772 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4sc5ccccc5c4Cl)c3)oc2c1 ZINC000003770745 555946322 /nfs/dbraw/zinc/94/63/22/555946322.db2.gz INUBEEQJKZZIDK-UHFFFAOYSA-N 0 0 432.932 7.232 50 0 IKAARN Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21 ZINC000003860920 555949178 /nfs/dbraw/zinc/94/91/78/555949178.db2.gz LDKDGDIWEUUXSH-UHFFFAOYSA-N 0 0 430.544 6.424 50 0 in-vitro IKAARN CC(C)c1ccc(N[C@H](c2ccc(Br)cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000003877632 555950189 /nfs/dbraw/zinc/95/01/89/555950189.db2.gz UEIQKGORCSFFPI-RZMRESFYSA-N 0 0 438.302 6.702 50 0 IKAARN CCCC[C@H](CC)COP(=O)(OC[C@@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000003875504 555950261 /nfs/dbraw/zinc/95/02/61/555950261.db2.gz GTVWRXDRKAHEAD-HJOGWXRNSA-N 0 0 434.642 8.794 50 0 IKAARN O=C(O/C(=C/c1nccn1CCOc1ccccc1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003877062 555950293 /nfs/dbraw/zinc/95/02/93/555950293.db2.gz IMWFZZDNCWEIOK-HKOYGPOVSA-N 0 0 446.453 5.595 50 0 IKAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000003883007 555950935 /nfs/dbraw/zinc/95/09/35/555950935.db2.gz OWUDHTWXYQREAW-SFHVURJKSA-N 0 0 445.972 5.824 50 0 IKAARN FC(F)(F)c1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 ZINC000004031155 555953863 /nfs/dbraw/zinc/95/38/63/555953863.db2.gz GUKUCZTYOKIMQA-NRFANRHFSA-N 0 0 445.282 6.824 50 0 IKAARN COc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000004106608 555962783 /nfs/dbraw/zinc/96/27/83/555962783.db2.gz RKRNATWYGBUMOY-UDWIEESQSA-N 0 0 442.899 5.515 50 0 IKAARN CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000004141552 555967950 /nfs/dbraw/zinc/96/79/50/555967950.db2.gz SLBKHXVFFDZUIS-GERBCZOESA-N 0 0 434.536 5.015 50 0 IKAARN COc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000004144126 555968181 /nfs/dbraw/zinc/96/81/81/555968181.db2.gz LTPSQXWOMPPWOJ-MRXNPFEDSA-N 0 0 427.551 5.089 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 ZINC000004163451 555970615 /nfs/dbraw/zinc/97/06/15/555970615.db2.gz ZCLHYOSGLYGZBR-WNYOCNMUSA-N 0 0 444.457 5.157 50 0 IKAARN COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000004184396 555974619 /nfs/dbraw/zinc/97/46/19/555974619.db2.gz DVIFDLUXHOEXSS-UHPHFRDNSA-N 0 0 429.626 5.841 50 0 IKAARN Cc1nc2sc3c(c2c(SCC(=O)NC24CC5CC(CC(C5)C2)C4)n1)CCCC3 ZINC000004183397 555974687 /nfs/dbraw/zinc/97/46/87/555974687.db2.gz BKRTURNQBCANIH-UHFFFAOYSA-N 0 0 427.639 5.056 50 0 IKAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004201892 555976024 /nfs/dbraw/zinc/97/60/24/555976024.db2.gz AYPMXCIGTQUCFB-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccccc2C(F)(F)F)n1-c1ccccc1 ZINC000004211411 555976446 /nfs/dbraw/zinc/97/64/46/555976446.db2.gz PNCJRQZZEOHGHG-UHFFFAOYSA-N 0 0 429.442 6.385 50 0 IKAARN C[C@@H](Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)C(=O)OC1CCCCC1 ZINC000004290219 555983480 /nfs/dbraw/zinc/98/34/80/555983480.db2.gz RBRIERAAOMUIQT-OAHLLOKOSA-N 0 0 442.895 5.882 50 0 IKAARN C[C@H](Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)C(=O)OC1CCCCC1 ZINC000004290218 555983486 /nfs/dbraw/zinc/98/34/86/555983486.db2.gz RBRIERAAOMUIQT-HNNXBMFYSA-N 0 0 442.895 5.882 50 0 IKAARN CCCCOc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 ZINC000004321401 555986433 /nfs/dbraw/zinc/98/64/33/555986433.db2.gz JVOMJKKNOPZQMU-UHFFFAOYSA-N 0 0 425.576 7.078 50 0 IKAARN COc1ccc(OCc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1 ZINC000004390723 555992316 /nfs/dbraw/zinc/99/23/16/555992316.db2.gz HMYXRRWGNHBPHL-UHFFFAOYSA-N 0 0 425.594 6.698 50 0 IKAARN Clc1ccc(COc2cccc(CNc3ccc(N4CCCC4)cc3)c2)c(Cl)c1 ZINC000004397259 555992993 /nfs/dbraw/zinc/99/29/93/555992993.db2.gz ZGLGXHNYQYVZLH-UHFFFAOYSA-N 0 0 427.375 6.785 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CC[C@H](C)C2 ZINC000004423394 555994328 /nfs/dbraw/zinc/99/43/28/555994328.db2.gz GQIBFTNMVPNXRZ-JTQLQIEISA-N 0 0 426.332 5.046 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004428158 555994631 /nfs/dbraw/zinc/99/46/31/555994631.db2.gz VEMJGRFWVFUERV-WMHJFFNYSA-N 0 0 432.564 5.039 50 0 IKAARN Brc1ccc(C/N=c2\ccccn2Cc2ccc(Br)cc2)cc1 ZINC000004502117 555998058 /nfs/dbraw/zinc/99/80/58/555998058.db2.gz MRWZKRIOVSVTFA-ZBJSNUHESA-N 0 0 432.159 5.162 50 0 IKAARN O=C(C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCCCC1=O)c1ccc(Br)cc1 ZINC000004531605 555999590 /nfs/dbraw/zinc/99/95/90/555999590.db2.gz RYZOGDRCUKCLBX-SFTDATJTSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCCCC1=O)c1ccc(Br)cc1 ZINC000004531604 555999602 /nfs/dbraw/zinc/99/96/02/555999602.db2.gz RYZOGDRCUKCLBX-LEWJYISDSA-N 0 0 447.800 6.999 50 0 IKAARN Brc1ccc(-c2cs/c(=N\C3=NCCCS3)n2-c2ccccc2)cc1 ZINC000004528491 555999641 /nfs/dbraw/zinc/99/96/41/555999641.db2.gz KKYVJKCMXPMFNQ-QOCHGBHMSA-N 0 0 430.396 5.362 50 0 IKAARN O=C(C[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CCCCCCC1=O)c1cccc(Cl)c1 ZINC000004531625 555999851 /nfs/dbraw/zinc/99/98/51/555999851.db2.gz JNXAWFVKNDYXBE-PMACEKPBSA-N 0 0 437.794 7.543 50 0 IKAARN O=C(C[C@H](c1ccccc1Br)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531633 555999907 /nfs/dbraw/zinc/99/99/07/555999907.db2.gz RWFMPPSACVDGKM-WOJBJXKFSA-N 0 0 447.800 6.999 50 0 IKAARN Cc1cc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(C)(C)C=C2C ZINC000004608286 556003906 /nfs/dbraw/zinc/00/39/06/556003906.db2.gz LEOMYOCIUJFSTE-UHFFFAOYSA-N 0 0 429.607 7.985 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CC13CC4CC(CC(C4)C1)C3)C[C@@H](CC)CC2 ZINC000004651306 556005245 /nfs/dbraw/zinc/00/52/45/556005245.db2.gz NTIJTZCGNMAUBY-SBNSQYLKSA-N 0 0 429.626 5.985 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 ZINC000004660849 556005644 /nfs/dbraw/zinc/00/56/44/556005644.db2.gz JJMQQBVJXJKAJY-INIZCTEOSA-N 0 0 427.566 5.783 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000004668767 556005719 /nfs/dbraw/zinc/00/57/19/556005719.db2.gz BZXMTIAOAFOSFL-AHKZPQOWSA-N 0 0 426.560 6.625 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)c1ccccc1n3C)O[C@H]1CCCC[C@@H]21 ZINC000004710776 556007268 /nfs/dbraw/zinc/00/72/68/556007268.db2.gz DWQSSIFTRHQFQG-TVIOGVOPSA-N 0 0 427.544 6.495 50 0 IKAARN COc1ccc(Nc2ncc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc23)cc1 ZINC000004734305 556008940 /nfs/dbraw/zinc/00/89/40/556008940.db2.gz XWXWFRGUZORMSK-UHFFFAOYSA-N 0 0 447.922 6.210 50 0 IKAARN CCCC[C@H]1CCCC[C@@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004808000 556012752 /nfs/dbraw/zinc/01/27/52/556012752.db2.gz JOJQEUXIVOQZQP-SFTDATJTSA-N 0 0 434.646 5.413 50 0 IKAARN CC(C)[C@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)Nc1ccc(F)cc1F ZINC000004872732 556017270 /nfs/dbraw/zinc/01/72/70/556017270.db2.gz PTYMBSLDVQYOME-YVJQEWRFSA-N 0 0 432.555 5.431 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004912680 556020836 /nfs/dbraw/zinc/02/08/36/556020836.db2.gz HGLBUAJKABWNRX-HXUWFJFHSA-N 0 0 429.560 5.992 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccccc1 ZINC000004978968 556025333 /nfs/dbraw/zinc/02/53/33/556025333.db2.gz FNAMBUCNRIUZTG-NRFANRHFSA-N 0 0 425.532 5.416 50 0 IKAARN CC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc1[nH]2 ZINC000005191448 556036441 /nfs/dbraw/zinc/03/64/41/556036441.db2.gz XZCHDFOYWDLFEY-UHFFFAOYSA-N 0 0 428.624 6.616 50 0 in-vitro IKAARN CC(C)[C@@H]1CC[C@]2(C)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 ZINC000005294725 556043611 /nfs/dbraw/zinc/04/36/11/556043611.db2.gz HEYPZYMGRBQTOH-LIFBHLINSA-N 0 0 426.729 8.313 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)cc1 ZINC000005485023 556056075 /nfs/dbraw/zinc/05/60/75/556056075.db2.gz XDIVCUJRLQBYDE-JLHYYAGUSA-N 0 0 425.601 7.037 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)cc1 ZINC000005494152 556056616 /nfs/dbraw/zinc/05/66/16/556056616.db2.gz JDVCPTPPDIHRHW-YADHBBJMSA-N 0 0 440.952 5.191 50 0 IKAARN CCCCCc1nc(N)nc(-c2nc(N)nc(CCCCC)c2CCCC)c1CCCC ZINC000005503121 556057250 /nfs/dbraw/zinc/05/72/50/556057250.db2.gz UWSKNIOZVBMZPT-UHFFFAOYSA-N 0 0 440.680 6.249 50 0 IKAARN CCOC(=O)[C@H](c1cccc(OC)c1)[C@@H]1C=C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000022657119 556065652 /nfs/dbraw/zinc/06/56/52/556065652.db2.gz CPVNSMANUNADLN-MFMILTCTSA-N 0 0 448.346 5.023 50 0 IKAARN O=C(N/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2s1)c1ccccc1 ZINC000005809116 556066716 /nfs/dbraw/zinc/06/67/16/556066716.db2.gz RGEMVGXMGBLKBI-XDHOZWIPSA-N 0 0 425.340 6.531 50 0 IKAARN CC(=O)c1ccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000006074121 556073844 /nfs/dbraw/zinc/07/38/44/556073844.db2.gz GXERBZMVOZDYEK-UHFFFAOYSA-N 0 0 449.454 5.469 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 ZINC000006075442 556074627 /nfs/dbraw/zinc/07/46/27/556074627.db2.gz WGKOCDIGXDADGW-UHFFFAOYSA-N 0 0 429.589 6.533 50 0 IKAARN Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3)nc12 ZINC000006142805 556077467 /nfs/dbraw/zinc/07/74/67/556077467.db2.gz VQQRUAIWARDHCV-UHFFFAOYSA-N 0 0 432.332 5.417 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc32)c1 ZINC000006211481 556080617 /nfs/dbraw/zinc/08/06/17/556080617.db2.gz JRRMFHHDQKOKEX-UHFFFAOYSA-N 0 0 446.304 5.514 50 0 IKAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2ccccn2)cc1 ZINC000006244539 556082293 /nfs/dbraw/zinc/08/22/93/556082293.db2.gz HUFOBPILAZTOQT-RPWUZVMVSA-N 0 0 432.570 5.410 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc3c(nc4ccccn4c3=O)n2Cc2ccccc2)cc1 ZINC000002347189 556082916 /nfs/dbraw/zinc/08/29/16/556082916.db2.gz IWHBAPVBFGSVDT-UHFFFAOYSA-N 0 0 436.515 5.073 50 0 IKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000006296296 556084178 /nfs/dbraw/zinc/08/41/78/556084178.db2.gz KMOGPBISWLEXAU-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN CC[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)c1ccccc1 ZINC000006390239 556086183 /nfs/dbraw/zinc/08/61/83/556086183.db2.gz QPSZENBLYIPTGS-NRFANRHFSA-N 0 0 446.348 5.940 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc32)cc1OC ZINC000006427589 556087027 /nfs/dbraw/zinc/08/70/27/556087027.db2.gz BOTXQIHXQVLTCB-HNNXBMFYSA-N 0 0 447.922 5.458 50 0 IKAARN Fc1ccccc1/C=C/c1nc2ccccc2c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000006445499 556088170 /nfs/dbraw/zinc/08/81/70/556088170.db2.gz XOOCCLRFFRRCAL-OUKQBFOZSA-N 0 0 426.438 7.083 50 0 IKAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c2c1 ZINC000006456012 556088916 /nfs/dbraw/zinc/08/89/16/556088916.db2.gz QJKSJLXCXWXFNX-UHFFFAOYSA-N 0 0 430.511 6.601 50 0 IKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000006459797 556089570 /nfs/dbraw/zinc/08/95/70/556089570.db2.gz NTLIKIGETFMDQU-AWEZNQCLSA-N 0 0 440.330 6.251 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1 ZINC000006480738 556090969 /nfs/dbraw/zinc/09/09/69/556090969.db2.gz BSODPWAMVYFSGE-UHFFFAOYSA-N 0 0 444.578 5.383 50 0 IKAARN CCCCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000006481097 556091074 /nfs/dbraw/zinc/09/10/74/556091074.db2.gz RTJSLGRTFQXUBW-UHFFFAOYSA-N 0 0 426.516 6.342 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cs1 ZINC000010574534 556091340 /nfs/dbraw/zinc/09/13/40/556091340.db2.gz SWVDIMMGJMCJJM-UHFFFAOYSA-N 0 0 440.521 5.895 50 0 IKAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006599767 556096425 /nfs/dbraw/zinc/09/64/25/556096425.db2.gz WEUPEKIOUHPJPK-MRXNPFEDSA-N 0 0 430.639 5.562 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000006601513 556097468 /nfs/dbraw/zinc/09/74/68/556097468.db2.gz JIYGUEBKZPURAW-LADGPHEKSA-N 0 0 449.348 6.090 50 0 IKAARN C[C@@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C12CC3CC(CC(C3)C1)C2 ZINC000006700645 556101638 /nfs/dbraw/zinc/10/16/38/556101638.db2.gz FXGGJIREJNNTCV-LREROPASSA-N 0 0 427.544 5.795 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C(=O)C(C)(C)C)C1CCCCC1 ZINC000006723180 556102196 /nfs/dbraw/zinc/10/21/96/556102196.db2.gz DRSINMXLVUCMOR-UHFFFAOYSA-N 0 0 429.649 5.835 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C(=O)CC(C)(C)C)C1CCCCC1 ZINC000006722278 556102358 /nfs/dbraw/zinc/10/23/58/556102358.db2.gz WNFDQHURNZDUKS-UHFFFAOYSA-N 0 0 443.676 6.225 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3ccc(C)cc3C)nc(-c3ccccc3)nc12 ZINC000006860525 556106732 /nfs/dbraw/zinc/10/67/32/556106732.db2.gz BRJCHZVSLHOCOJ-UHFFFAOYSA-N 0 0 427.573 6.207 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3cc(C)cc(C)c3)nc(-c3ccccc3)nc12 ZINC000006860490 556106841 /nfs/dbraw/zinc/10/68/41/556106841.db2.gz BTVPPSNANCZWHF-UHFFFAOYSA-N 0 0 427.573 6.207 50 0 IKAARN COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000006907008 556110238 /nfs/dbraw/zinc/11/02/38/556110238.db2.gz SNLMPMGNJIYVJB-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccco3)C2)cc1 ZINC000006924914 556110967 /nfs/dbraw/zinc/11/09/67/556110967.db2.gz XDNKPCQDRHHQNH-NRFANRHFSA-N 0 0 435.936 6.421 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000007059479 556114188 /nfs/dbraw/zinc/11/41/88/556114188.db2.gz JYHXHZALXFOZMW-JTHBVZDNSA-N 0 0 435.321 5.700 50 0 IKAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)Nc1c(F)cccc1F ZINC000018597285 556114835 /nfs/dbraw/zinc/11/48/35/556114835.db2.gz UDJUCCBOTBPTKM-SNVBAGLBSA-N 0 0 438.297 5.237 50 0 IKAARN CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(cc(C)cc3C)s2)cc1 ZINC000010583940 556115042 /nfs/dbraw/zinc/11/50/42/556115042.db2.gz XCUGQYYERADOKW-UHFFFAOYSA-N 0 0 432.549 5.049 50 0 IKAARN C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000229862376 556115420 /nfs/dbraw/zinc/11/54/20/556115420.db2.gz MZIWRSXHNVMYEY-DYJXAQSNSA-N 0 0 439.650 5.665 50 0 IKAARN CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000010589341 556116937 /nfs/dbraw/zinc/11/69/37/556116937.db2.gz UAHHVDJBWKQKBS-UHFFFAOYSA-N 0 0 442.540 5.621 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)c3nc(-c4cccs4)cc(C(F)(F)F)c23)cc1 ZINC000002661495 556118111 /nfs/dbraw/zinc/11/81/11/556118111.db2.gz QWOLHONAWHXJEP-UHFFFAOYSA-N 0 0 435.474 7.143 50 0 IKAARN COc1ccc(/C=C/C(=O)Oc2cc3sc(=O)oc3c(-c3ccc(OC)cc3)c2)cc1 ZINC000002678070 556118338 /nfs/dbraw/zinc/11/83/38/556118338.db2.gz OGDFZHFRNILQKJ-LFYBBSHMSA-N 0 0 434.469 5.158 50 0 IKAARN O=C(c1ccc2ccccc2c1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002685924 556118948 /nfs/dbraw/zinc/11/89/48/556118948.db2.gz CNNXPSBQLUHWEU-VWLOTQADSA-N 0 0 426.903 5.677 50 0 IKAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3c(C)cc(C)cc3C)c2=O)CCC4)cc1 ZINC000002687602 556119010 /nfs/dbraw/zinc/11/90/10/556119010.db2.gz RSDGXYGTCSINMB-UHFFFAOYSA-N 0 0 444.600 5.239 50 0 IKAARN COc1ccc(Cn2cc3c(-c4ccc(OC)cc4)nnc-3c3cc(OC)ccc32)cc1 ZINC000002688478 556119278 /nfs/dbraw/zinc/11/92/78/556119278.db2.gz QXEXKZZGIYLIMW-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2 ZINC000002688359 556119340 /nfs/dbraw/zinc/11/93/40/556119340.db2.gz UGSHVYFJYMHJRX-UHFFFAOYSA-N 0 0 439.540 5.879 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1 ZINC000002688285 556119363 /nfs/dbraw/zinc/11/93/63/556119363.db2.gz CEKDXKYBEWDRFJ-UHFFFAOYSA-N 0 0 425.463 5.470 50 0 IKAARN CCOc1cccc2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3)c1C2 ZINC000002689877 556119671 /nfs/dbraw/zinc/11/96/71/556119671.db2.gz GNTPEZRVRNXIFY-UHFFFAOYSA-N 0 0 426.541 6.531 50 0 IKAARN Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCO5)cc1 ZINC000002688837 556119710 /nfs/dbraw/zinc/11/97/10/556119710.db2.gz UOJMDFTZILZYEA-UHFFFAOYSA-N 0 0 431.854 5.773 50 0 IKAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1 ZINC000002692206 556120481 /nfs/dbraw/zinc/12/04/81/556120481.db2.gz PPQGWJWZJXDTFU-UHFFFAOYSA-N 0 0 441.462 5.170 50 0 IKAARN COc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000002693752 556120821 /nfs/dbraw/zinc/12/08/21/556120821.db2.gz VYSDNIPJDKEHOU-UHFFFAOYSA-N 0 0 445.540 5.431 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4F)cc2-3)cc1 ZINC000002693387 556120827 /nfs/dbraw/zinc/12/08/27/556120827.db2.gz FKXWUHTUISIGTA-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)Cc2ccccc2O3)cc1 ZINC000002691149 556122074 /nfs/dbraw/zinc/12/20/74/556122074.db2.gz VDLKQJIUXIWSMT-UHFFFAOYSA-N 0 0 439.540 5.879 50 0 IKAARN COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccccc3F)c2cc1OC ZINC000002691312 556122086 /nfs/dbraw/zinc/12/20/86/556122086.db2.gz PXIHXJJWGZIRQM-UHFFFAOYSA-N 0 0 427.479 5.716 50 0 IKAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000002703496 556122995 /nfs/dbraw/zinc/12/29/95/556122995.db2.gz LCDVDGXGRAOPNG-DEOSSOPVSA-N 0 0 440.499 5.363 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(Cc1ccccc1Cl)C3=O ZINC000002704195 556123261 /nfs/dbraw/zinc/12/32/61/556123261.db2.gz PVXRCEXPQMRTLY-QFIPXVFZSA-N 0 0 431.875 5.206 50 0 IKAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002704200 556123608 /nfs/dbraw/zinc/12/36/08/556123608.db2.gz FIVCGPWENNEYAH-HXUWFJFHSA-N 0 0 432.501 5.178 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 ZINC000002704506 556123887 /nfs/dbraw/zinc/12/38/87/556123887.db2.gz OVSCUDONUFCQPC-OAQYLSRUSA-N 0 0 435.838 5.037 50 0 IKAARN CCCCSc1nnc(CSc2ncccn2)n1-c1cccc(C(F)(F)F)c1 ZINC000002706221 556123889 /nfs/dbraw/zinc/12/38/89/556123889.db2.gz YBZFUTQHQMVNTI-UHFFFAOYSA-N 0 0 425.505 5.261 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000002707270 556124123 /nfs/dbraw/zinc/12/41/23/556124123.db2.gz HKFMMXUUWLELPP-DHIUTWEWSA-N 0 0 428.517 5.298 50 0 IKAARN CSc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000002707427 556124169 /nfs/dbraw/zinc/12/41/69/556124169.db2.gz XWJJRFFVLPQTDN-VXKWHMMOSA-N 0 0 430.558 5.621 50 0 IKAARN O=c1c2c(nc(SCc3ccc(F)cc3)n1-c1ccc(Br)cc1)CCS2 ZINC000002720042 556126549 /nfs/dbraw/zinc/12/65/49/556126549.db2.gz HFUFXYRFPAPAHN-UHFFFAOYSA-N 0 0 449.370 5.075 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccc(F)cc2)cc1 ZINC000002721832 556127689 /nfs/dbraw/zinc/12/76/89/556127689.db2.gz WBAHMCYVCRWEIH-UHFFFAOYSA-N 0 0 429.494 5.507 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1SCc1ccccc1F)c1ccc(Cl)cc1 ZINC000002721862 556127930 /nfs/dbraw/zinc/12/79/30/556127930.db2.gz LKFWUUFEYMNWFK-UHFFFAOYSA-N 0 0 449.912 5.852 50 0 aggregator IKAARN Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002721861 556128032 /nfs/dbraw/zinc/12/80/32/556128032.db2.gz GAXSOSQVOBYCKI-UHFFFAOYSA-N 0 0 445.949 6.022 50 0 aggregator IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)NCc1ccccc1 ZINC000002722392 556128253 /nfs/dbraw/zinc/12/82/53/556128253.db2.gz OECBIFVWOQAFHW-UHFFFAOYSA-N 0 0 428.605 5.299 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(C)c1C ZINC000002722350 556128258 /nfs/dbraw/zinc/12/82/58/556128258.db2.gz SPTXQVPNTMPRAR-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002722790 556128261 /nfs/dbraw/zinc/12/82/61/556128261.db2.gz JMDUHBPLTPNCRP-UHFFFAOYSA-N 0 0 437.830 5.779 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1cc(C)cc(C)c1 ZINC000002722325 556128274 /nfs/dbraw/zinc/12/82/74/556128274.db2.gz UTZJRMBNQWEQGX-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000002713431 556129252 /nfs/dbraw/zinc/12/92/52/556129252.db2.gz PVWZTVBYBCYACZ-UHFFFAOYSA-N 0 0 445.475 5.002 50 0 IKAARN CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000002713709 556129468 /nfs/dbraw/zinc/12/94/68/556129468.db2.gz AAOCHIPJPMKNPC-UHFFFAOYSA-N 0 0 445.540 5.260 50 0 IKAARN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC2CCCC2)cc1 ZINC000002714544 556129786 /nfs/dbraw/zinc/12/97/86/556129786.db2.gz UQRLDQKAEFUZFJ-UHFFFAOYSA-N 0 0 433.353 6.205 50 0 IKAARN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC2CCCCC2)cc1 ZINC000002714538 556129905 /nfs/dbraw/zinc/12/99/05/556129905.db2.gz RGVWWMALJNRWDE-UHFFFAOYSA-N 0 0 447.380 6.595 50 0 IKAARN CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002715779 556130210 /nfs/dbraw/zinc/13/02/10/556130210.db2.gz CIXCXJJWQTTZDL-UHFFFAOYSA-N 0 0 445.540 5.314 50 0 IKAARN CCc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002715783 556130281 /nfs/dbraw/zinc/13/02/81/556130281.db2.gz GFFAGZQJATXOKT-UHFFFAOYSA-N 0 0 449.503 5.009 50 0 IKAARN Cc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c(C)c1 ZINC000002716466 556130998 /nfs/dbraw/zinc/13/09/98/556130998.db2.gz XXECMLAYLSPXEN-UHFFFAOYSA-N 0 0 448.950 5.173 50 0 IKAARN COc1ccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2-c2ccccc2)c(OC)c1 ZINC000002718494 556131527 /nfs/dbraw/zinc/13/15/27/556131527.db2.gz YIQRRSGBUZPACX-UHFFFAOYSA-N 0 0 446.528 5.568 50 0 IKAARN Cc1nn(-c2ccccc2)c(OC(=O)CCc2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000002718517 556131610 /nfs/dbraw/zinc/13/16/10/556131610.db2.gz XLGCJHOCEFTIFQ-UHFFFAOYSA-N 0 0 448.975 6.524 50 0 IKAARN CCC(=O)Oc1c(Sc2c(F)c(F)c(F)c(F)c2F)c(C)nn1-c1ccccc1 ZINC000002718542 556131638 /nfs/dbraw/zinc/13/16/38/556131638.db2.gz RZSGCGIHQDDIBI-UHFFFAOYSA-N 0 0 428.382 5.343 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3n2)cc1 ZINC000002737445 556132215 /nfs/dbraw/zinc/13/22/15/556132215.db2.gz DRFPIDCYAQBTCU-UHFFFAOYSA-N 0 0 437.326 6.860 50 0 IKAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000002738605 556132490 /nfs/dbraw/zinc/13/24/90/556132490.db2.gz LGTKUOFZBJTWRI-IZZDOVSWSA-N 0 0 437.175 6.161 50 0 IKAARN CCc1c(C)sc(NC(=O)CCCOc2ccc(Cl)cc2C)c1C(=O)OC(C)C ZINC000002738979 556132526 /nfs/dbraw/zinc/13/25/26/556132526.db2.gz SLBQYRNUGDARMP-UHFFFAOYSA-N 0 0 437.989 5.944 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n2)s1 ZINC000002740255 556132731 /nfs/dbraw/zinc/13/27/31/556132731.db2.gz GQVYUUNJDLJVRE-UHFFFAOYSA-N 0 0 446.881 7.196 50 0 IKAARN Cc1cccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)c3ccccc3n2)c1 ZINC000002741792 556132991 /nfs/dbraw/zinc/13/29/91/556132991.db2.gz WIYHGRXIJHALRN-UHFFFAOYSA-N 0 0 435.296 6.364 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)CC)C2 ZINC000002741611 556133020 /nfs/dbraw/zinc/13/30/20/556133020.db2.gz WCPAZWGRICLSIZ-APWZRJJASA-N 0 0 443.609 5.872 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000002741890 556133031 /nfs/dbraw/zinc/13/30/31/556133031.db2.gz CKIOQCCIDMODTH-IDKBZEPQSA-N 0 0 439.621 6.388 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000002741828 556133099 /nfs/dbraw/zinc/13/30/99/556133099.db2.gz CCMBLNJUIGNMJA-INIZCTEOSA-N 0 0 449.381 7.974 50 0 IKAARN CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724582 556133233 /nfs/dbraw/zinc/13/32/33/556133233.db2.gz QERJBVVUDKJHQP-QHCPKHFHSA-N 0 0 438.886 5.062 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724546 556133301 /nfs/dbraw/zinc/13/33/01/556133301.db2.gz OGOPIIGPKAGHPO-OAQYLSRUSA-N 0 0 429.278 5.316 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724768 556133305 /nfs/dbraw/zinc/13/33/05/556133305.db2.gz YRQGARKVIQQXCA-DEOSSOPVSA-N 0 0 434.486 5.446 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724543 556133310 /nfs/dbraw/zinc/13/33/10/556133310.db2.gz OLHXTBZCMKMZIN-OAQYLSRUSA-N 0 0 429.278 5.316 50 0 IKAARN CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724490 556133367 /nfs/dbraw/zinc/13/33/67/556133367.db2.gz FXDKXCDFEGTSHF-QHCPKHFHSA-N 0 0 438.886 5.062 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725331 556133662 /nfs/dbraw/zinc/13/36/62/556133662.db2.gz RTMOKLFTOLBVQQ-HNNXBMFYSA-N 0 0 442.699 5.048 50 0 IKAARN Cc1ccc(NC(=S)Nc2nn(Cc3ccccc3F)cc2Cl)c(OC(F)F)c1 ZINC000002728657 556133927 /nfs/dbraw/zinc/13/39/27/556133927.db2.gz HMOWYDKKKNAVFU-UHFFFAOYSA-N 0 0 440.878 5.443 50 0 IKAARN Cc1sc(-n2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)nc1-c1ccccc1 ZINC000002733337 556135111 /nfs/dbraw/zinc/13/51/11/556135111.db2.gz JQKMMLQIQBSFDG-UHFFFAOYSA-N 0 0 449.623 7.872 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002736208 556135396 /nfs/dbraw/zinc/13/53/96/556135396.db2.gz RPPYDRCZSVNLED-ZDUSSCGKSA-N 0 0 443.355 6.676 50 0 IKAARN CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccncc1 ZINC000002761299 556135408 /nfs/dbraw/zinc/13/54/08/556135408.db2.gz SMJHKENZKBDAJG-UHFFFAOYSA-N 0 0 442.540 6.295 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1Br ZINC000002736226 556135426 /nfs/dbraw/zinc/13/54/26/556135426.db2.gz PBWMNPOOQLPWQF-UHFFFAOYSA-N 0 0 433.527 5.191 50 0 IKAARN CC[C@@H](NC(=O)c1c(C)n(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(C)C)cc1 ZINC000002735332 556135432 /nfs/dbraw/zinc/13/54/32/556135432.db2.gz OKJAKIOPFRPWBL-AREMUKBSSA-N 0 0 437.587 6.852 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002736209 556135447 /nfs/dbraw/zinc/13/54/47/556135447.db2.gz RPPYDRCZSVNLED-CYBMUJFWSA-N 0 0 443.355 6.676 50 0 IKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccoc3C)c2C(=O)OC(C)C)cc1 ZINC000002761966 556135752 /nfs/dbraw/zinc/13/57/52/556135752.db2.gz DVRDAJBCPSJGMU-HNNXBMFYSA-N 0 0 425.550 6.648 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(Br)ccc3n2)cc1 ZINC000002764050 556136068 /nfs/dbraw/zinc/13/60/68/556136068.db2.gz ANEQGPWXPSADTC-UHFFFAOYSA-N 0 0 439.353 5.689 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(=O)OC)C1 ZINC000002745579 556136370 /nfs/dbraw/zinc/13/63/70/556136370.db2.gz RZDNFAUHZUVSHY-CQSZACIVSA-N 0 0 429.538 5.057 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000002748440 556136610 /nfs/dbraw/zinc/13/66/10/556136610.db2.gz FBEDWNBABVMDHJ-UHFFFAOYSA-N 0 0 448.591 6.915 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCCC2 ZINC000002746554 556136628 /nfs/dbraw/zinc/13/66/28/556136628.db2.gz HZNAUVMWPHYZGK-UHFFFAOYSA-N 0 0 426.365 6.143 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002752726 556137217 /nfs/dbraw/zinc/13/72/17/556137217.db2.gz XIZBKXIXDATIMQ-UHFFFAOYSA-N 0 0 436.558 6.071 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002752640 556137276 /nfs/dbraw/zinc/13/72/76/556137276.db2.gz GZDRTPMEPSTGEY-UHFFFAOYSA-N 0 0 448.953 7.075 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1c2c(sc1NC(=O)c1ccccc1Cl)CCC2 ZINC000002756140 556137453 /nfs/dbraw/zinc/13/74/53/556137453.db2.gz SXIYTKVYNJWJDM-UHFFFAOYSA-N 0 0 431.344 6.048 50 0 IKAARN CCC(C)(C)c1ccc(OCCCCNC(=O)c2c(F)cccc2F)c(C(C)(C)CC)c1 ZINC000002759574 556137791 /nfs/dbraw/zinc/13/77/91/556137791.db2.gz BXRJQVCMFVQKJJ-UHFFFAOYSA-N 0 0 445.594 6.929 50 0 IKAARN COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc21 ZINC000002758926 556137795 /nfs/dbraw/zinc/13/77/95/556137795.db2.gz YMSJUTHRMUCKOJ-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN CCCOc1cccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)c1 ZINC000002759617 556137816 /nfs/dbraw/zinc/13/78/16/556137816.db2.gz SHFNODMOCTVQST-UHFFFAOYSA-N 0 0 440.499 5.349 50 0 IKAARN C[C@@H]1CCc2nc(NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)sc2C1 ZINC000002782306 556138130 /nfs/dbraw/zinc/13/81/30/556138130.db2.gz FGLUSNVSSMMVRR-SECBINFHSA-N 0 0 432.899 5.043 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC000002783034 556138305 /nfs/dbraw/zinc/13/83/05/556138305.db2.gz SHFQALJZOFTQNF-AUUYWEPGSA-N 0 0 429.582 5.463 50 0 IKAARN O=C(Nc1cccc(Cl)c1)C(Nc1cccc(Cl)c1)(c1ccccc1)c1ccccc1 ZINC000002785365 556138572 /nfs/dbraw/zinc/13/85/72/556138572.db2.gz YZFALSHMQDYQNJ-UHFFFAOYSA-N 0 0 447.365 6.988 50 0 IKAARN Cc1ccc(/C=C2/N=C(SCC(=O)Nc3cc(C)ccc3C)N(CC(C)C)C2=O)s1 ZINC000002786045 556138623 /nfs/dbraw/zinc/13/86/23/556138623.db2.gz ZFZUHUMZGKOGHZ-RGVLZGJSSA-N 0 0 441.622 5.240 50 0 IKAARN CC(C)c1ccc(OCc2cccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)c2)cc1 ZINC000002786328 556138817 /nfs/dbraw/zinc/13/88/17/556138817.db2.gz HYUMNUQUOYUVME-UHFFFAOYSA-N 0 0 440.572 6.197 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(CC)cc3)c(C)s2)cc1 ZINC000002788630 556139123 /nfs/dbraw/zinc/13/91/23/556139123.db2.gz SLIUNPZTHFSQBM-UHFFFAOYSA-N 0 0 439.606 5.597 50 0 IKAARN CC[C@H]1CCc2c(sc3ncn4nc([C@@H](C)Cn5nc(C(F)(F)F)cc5C)nc4c23)C1 ZINC000002789992 556139354 /nfs/dbraw/zinc/13/93/54/556139354.db2.gz BVUZSBSAIMTGHV-AAEUAGOBSA-N 0 0 448.518 5.181 50 0 IKAARN CC[C@H]1CCc2c(sc3ncn4nc([C@H](C)Cn5nc(C(F)(F)F)cc5C)nc4c23)C1 ZINC000002789994 556139371 /nfs/dbraw/zinc/13/93/71/556139371.db2.gz BVUZSBSAIMTGHV-YPMHNXCESA-N 0 0 448.518 5.181 50 0 IKAARN CC[C@@H]1CCc2c(sc3ncn4nc([C@@H](C)Cn5nc(C(F)(F)F)cc5C)nc4c23)C1 ZINC000002789993 556139427 /nfs/dbraw/zinc/13/94/27/556139427.db2.gz BVUZSBSAIMTGHV-WCQYABFASA-N 0 0 448.518 5.181 50 0 IKAARN COc1cc2c(cc1NC(=O)c1cccc(Cn3cc(Cl)cn3)c1)oc1ccccc12 ZINC000002767691 556139641 /nfs/dbraw/zinc/13/96/41/556139641.db2.gz GTJAWWRVPYUVHR-UHFFFAOYSA-N 0 0 431.879 5.745 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC(C)C)cc1 ZINC000002765916 556139658 /nfs/dbraw/zinc/13/96/58/556139658.db2.gz LOFIQQOBGFISFB-UHFFFAOYSA-N 0 0 429.925 5.895 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3cc(Br)ccc3n2)cc1 ZINC000002766881 556139742 /nfs/dbraw/zinc/13/97/42/556139742.db2.gz YQTSWQYCBOJLAP-UHFFFAOYSA-N 0 0 436.309 5.775 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000002767882 556139883 /nfs/dbraw/zinc/13/98/83/556139883.db2.gz YUVNECWLSUDKDP-UHFFFAOYSA-N 0 0 430.209 6.437 50 0 IKAARN COc1ccc(-c2csc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2C(=O)OC(C)C)cc1 ZINC000002767798 556139923 /nfs/dbraw/zinc/13/99/23/556139923.db2.gz VKRLJHBWOYYDCK-LJQANCHMSA-N 0 0 442.364 5.511 50 0 IKAARN CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000002769277 556140212 /nfs/dbraw/zinc/14/02/12/556140212.db2.gz MTUDABPUBIINMC-NRFANRHFSA-N 0 0 438.571 6.442 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002778547 556141046 /nfs/dbraw/zinc/14/10/46/556141046.db2.gz KNDQGYISUVEIDZ-LBPRGKRZSA-N 0 0 428.439 5.068 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002779615 556141354 /nfs/dbraw/zinc/14/13/54/556141354.db2.gz VWDSUAZTCFVVIE-LBPRGKRZSA-N 0 0 428.439 5.068 50 0 IKAARN CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(C)on3)c2C(=O)OC(C)C)cc1 ZINC000002801780 556142473 /nfs/dbraw/zinc/14/24/73/556142473.db2.gz MJOMTHNMGORLLP-CQSZACIVSA-N 0 0 440.565 6.351 50 0 IKAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2C(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000002803126 556142658 /nfs/dbraw/zinc/14/26/58/556142658.db2.gz DEVVYPUJCJRHBP-MJGOQNOKSA-N 0 0 430.430 5.087 50 0 IKAARN Cc1cc(OCc2ccc(C=C3NC(=S)N(C4CCCCC4)C3=O)o2)cc(C)c1Cl ZINC000002804563 556143106 /nfs/dbraw/zinc/14/31/06/556143106.db2.gz BLVLGXBOWALGOB-UDWIEESQSA-N 0 0 444.984 5.930 50 0 IKAARN O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1cccc(COCC(F)(F)F)c1 ZINC000002805317 556143650 /nfs/dbraw/zinc/14/36/50/556143650.db2.gz MXVTYUJSDRFCSE-UHFFFAOYSA-N 0 0 441.812 5.055 50 0 IKAARN C[C@@H](NC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1)c1cccc(-n2cccc2)c1 ZINC000002805347 556143706 /nfs/dbraw/zinc/14/37/06/556143706.db2.gz KYWVLSYUFPBCMV-HXUWFJFHSA-N 0 0 442.563 5.499 50 0 IKAARN Cc1cccc(N2C(=S)N=NC2c2cc(Br)c(Br)s2)c1 ZINC000002791771 556144279 /nfs/dbraw/zinc/14/42/79/556144279.db2.gz KRQOIPAPNNEOOK-UHFFFAOYSA-N 0 0 431.178 5.118 50 0 IKAARN Cc1ccc2nc(NC(=O)c3ccn(COc4ccc(Cl)cc4Cl)n3)sc2c1 ZINC000002795419 556145637 /nfs/dbraw/zinc/14/56/37/556145637.db2.gz RPDNNWFYVOQCDH-UHFFFAOYSA-N 0 0 433.320 5.397 50 0 IKAARN Cc1cc(OCn2ccc(C(=O)Nc3ccc(Br)cc3F)n2)ccc1Cl ZINC000002796321 556145654 /nfs/dbraw/zinc/14/56/54/556145654.db2.gz NIETVIWGXXCNFJ-UHFFFAOYSA-N 0 0 438.684 5.035 50 0 IKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000002836010 556146089 /nfs/dbraw/zinc/14/60/89/556146089.db2.gz FJUIADLFVDKJAP-CCLHPLFOSA-N 0 0 440.587 6.517 50 0 IKAARN O=c1c2ccc(OCc3ccc(Br)cc3)cc2occ1-c1ccccc1Cl ZINC000002886666 556147587 /nfs/dbraw/zinc/14/75/87/556147587.db2.gz JGZAETUGKVQBKZ-UHFFFAOYSA-N 0 0 441.708 6.455 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000002856380 556147960 /nfs/dbraw/zinc/14/79/60/556147960.db2.gz MKISPXWSRJSCJS-UHFFFAOYSA-N 0 0 449.963 6.398 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 ZINC000002917653 556149107 /nfs/dbraw/zinc/14/91/07/556149107.db2.gz RXKVDEYEUVMTNN-UHFFFAOYSA-N 0 0 426.350 5.251 50 0 IKAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2ccccc2Cl)cc1 ZINC000002908648 556149736 /nfs/dbraw/zinc/14/97/36/556149736.db2.gz ROTJUMVAKADVEJ-UHFFFAOYSA-N 0 0 428.966 5.461 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000002922108 556150299 /nfs/dbraw/zinc/15/02/99/556150299.db2.gz FHNRRVWJRGJOEC-NSHDSACASA-N 0 0 439.408 5.947 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl ZINC000002960398 556151269 /nfs/dbraw/zinc/15/12/69/556151269.db2.gz HNSGCVPNKDIXPP-UHFFFAOYSA-N 0 0 442.902 6.871 50 0 IKAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002961552 556151315 /nfs/dbraw/zinc/15/13/15/556151315.db2.gz YIQBARYJAWBONA-UHFFFAOYSA-N 0 0 431.710 5.941 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000002953453 556151884 /nfs/dbraw/zinc/15/18/84/556151884.db2.gz YUNZKJIEWZCEJJ-FYJGNVAPSA-N 0 0 438.310 6.225 50 0 IKAARN CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002974768 556152920 /nfs/dbraw/zinc/15/29/20/556152920.db2.gz YSSRQQNALGWLKD-UHFFFAOYSA-N 0 0 437.478 5.929 50 0 IKAARN CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000008214619 556152932 /nfs/dbraw/zinc/15/29/32/556152932.db2.gz JKWKMORAXJQQSR-MOPIKTETSA-N 0 0 428.657 7.181 50 0 fda IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000002979344 556153531 /nfs/dbraw/zinc/15/35/31/556153531.db2.gz JRXGHIVRHDKVBJ-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3Cl)oc2c1 ZINC000002978633 556153566 /nfs/dbraw/zinc/15/35/66/556153566.db2.gz FDMDFAFZDPFFSD-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3Cl)oc2c1 ZINC000002979142 556153608 /nfs/dbraw/zinc/15/36/08/556153608.db2.gz ZBBMSTGDJIARRF-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000002982194 556153836 /nfs/dbraw/zinc/15/38/36/556153836.db2.gz RTOHMXYLAJHQFI-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1 ZINC000002979582 556153853 /nfs/dbraw/zinc/15/38/53/556153853.db2.gz LBKXWXAYQJRYCF-UHFFFAOYSA-N 0 0 447.535 6.058 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000002984936 556154262 /nfs/dbraw/zinc/15/42/62/556154262.db2.gz FOLWUCQLBOIYJL-UHFFFAOYSA-N 0 0 445.997 5.769 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000003013381 556155795 /nfs/dbraw/zinc/15/57/95/556155795.db2.gz ATAFUTMUWPYHAS-UHFFFAOYSA-N 0 0 430.544 6.720 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc(OCC)c1OCC ZINC000002995029 556156110 /nfs/dbraw/zinc/15/61/10/556156110.db2.gz RKXSTLYFXTUEAP-UHFFFAOYSA-N 0 0 446.503 5.943 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCCC3)ccc2F)cc1 ZINC000003024793 556157746 /nfs/dbraw/zinc/15/77/46/556157746.db2.gz HCHSOGDRHWZMFS-UHFFFAOYSA-N 0 0 432.561 5.203 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383492 556159129 /nfs/dbraw/zinc/15/91/29/556159129.db2.gz PETBJVNWTWIFMM-GOSISDBHSA-N 0 0 443.930 6.600 50 0 IKAARN CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)Nc3cc(Cl)ccc3C)c2c1 ZINC000008383380 556159203 /nfs/dbraw/zinc/15/92/03/556159203.db2.gz IUMOHEDFPGJGNM-UHFFFAOYSA-N 0 0 430.935 6.687 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000008383527 556159474 /nfs/dbraw/zinc/15/94/74/556159474.db2.gz FRNXDQXARVTSKR-UHFFFAOYSA-N 0 0 430.935 6.823 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12 ZINC000008383676 556159530 /nfs/dbraw/zinc/15/95/30/556159530.db2.gz AUGUYTKSKNEBRC-UHFFFAOYSA-N 0 0 428.963 7.241 50 0 IKAARN O=C(Oc1ccccc1)c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000008384164 556160059 /nfs/dbraw/zinc/16/00/59/556160059.db2.gz SPPTYCRPSBBPTL-UHFFFAOYSA-N 0 0 431.495 5.880 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)oc2c(C)c1 ZINC000008384576 556160210 /nfs/dbraw/zinc/16/02/10/556160210.db2.gz LONVOAWQWFAYNS-UHFFFAOYSA-N 0 0 432.951 7.315 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1Cl ZINC000008384435 556160326 /nfs/dbraw/zinc/16/03/26/556160326.db2.gz ZQRPRWRPDNMZEJ-UHFFFAOYSA-N 0 0 439.191 5.729 50 0 IKAARN COc1ccccc1[C@H](Nc1ccccn1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000008385091 556160896 /nfs/dbraw/zinc/16/08/96/556160896.db2.gz QJBGJXQXWFQXPM-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)c1Sc1ccccc1 ZINC000008386316 556161894 /nfs/dbraw/zinc/16/18/94/556161894.db2.gz DMKMQKUBMWKECU-UHFFFAOYSA-N 0 0 428.601 6.866 50 0 IKAARN Clc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008386283 556161919 /nfs/dbraw/zinc/16/19/19/556161919.db2.gz ZWBGTOKGGYGMEN-FQEVSTJZSA-N 0 0 436.169 7.656 50 0 IKAARN Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000008386764 556162138 /nfs/dbraw/zinc/16/21/38/556162138.db2.gz MNSRIPKTVZLOGG-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN O=c1c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2ncn1-c1ccccn1 ZINC000008386938 556162459 /nfs/dbraw/zinc/16/24/59/556162459.db2.gz FJZUIXZJNXGWPK-UHFFFAOYSA-N 0 0 438.537 5.786 50 0 IKAARN COc1ccc(-c2c3c(nc4c2CCCC4)sc2c3N[C@H](c3ccccc3)NC2=O)cc1 ZINC000008386913 556162500 /nfs/dbraw/zinc/16/25/00/556162500.db2.gz YJKDTGSDHMIVRO-DEOSSOPVSA-N 0 0 441.556 5.705 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc2ccccc2oc1=O ZINC000008387404 556162700 /nfs/dbraw/zinc/16/27/00/556162700.db2.gz SHWVNIVYYKKYAI-UHFFFAOYSA-N 0 0 425.487 5.012 50 0 IKAARN CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)NC1=S ZINC000008395871 556163036 /nfs/dbraw/zinc/16/30/36/556163036.db2.gz KYFNSMLFTNWGJN-NVMNQCDNSA-N 0 0 430.360 5.074 50 0 IKAARN CC[C@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O ZINC000008395937 556163052 /nfs/dbraw/zinc/16/30/52/556163052.db2.gz UDIXAHMHOUVQON-KOWBDXASSA-N 0 0 447.560 5.423 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)cc1 ZINC000008396376 556163633 /nfs/dbraw/zinc/16/36/33/556163633.db2.gz MXHIGMFTTXNXOF-UHFFFAOYSA-N 0 0 438.527 6.419 50 0 IKAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2c2ccc(Br)cc2)c1OC ZINC000008396907 556163940 /nfs/dbraw/zinc/16/39/40/556163940.db2.gz QOVKSZRHXJPLKJ-SFHVURJKSA-N 0 0 443.366 5.884 50 0 IKAARN CCC(=O)Oc1cccc2ccc(/C=C/c3cc4c(cc3Br)OCO4)nc21 ZINC000008397693 556164171 /nfs/dbraw/zinc/16/41/71/556164171.db2.gz BZZMPTITEXETGU-VQHVLOKHSA-N 0 0 426.266 5.212 50 0 IKAARN COc1cc(OC)c(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)c(OC)c1 ZINC000008397509 556164199 /nfs/dbraw/zinc/16/41/99/556164199.db2.gz VGORYOMKFGYHCH-UHFFFAOYSA-N 0 0 440.543 6.472 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@](=O)(Nc3ccccc3)C2=C(N2CCCCC2)C1 ZINC000008397739 556164594 /nfs/dbraw/zinc/16/45/94/556164594.db2.gz KJNJBYDCXNGCDM-WJOKGBTCSA-N 0 0 434.524 6.685 50 0 IKAARN Brc1ccc(C2=CSC3=NN=C(c4ccccc4)[C@H](c4ccccc4)N23)cc1 ZINC000008398217 556164709 /nfs/dbraw/zinc/16/47/09/556164709.db2.gz BISJVTOFDAXMTH-QFIPXVFZSA-N 0 0 446.373 6.312 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3cc4c(cc32)-c2ccccc2C4)cc1 ZINC000008398071 556164755 /nfs/dbraw/zinc/16/47/55/556164755.db2.gz ZVKAEFGSWOPSPU-UHFFFAOYSA-N 0 0 433.938 7.802 50 0 IKAARN C[C@@H](c1nn2c(COc3ccc(F)cc3)nnc2s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000008398707 556165115 /nfs/dbraw/zinc/16/51/15/556165115.db2.gz IYLRUJZDTMEBNN-OAHLLOKOSA-N 0 0 448.498 5.862 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)c1 ZINC000008400595 556166187 /nfs/dbraw/zinc/16/61/87/556166187.db2.gz XPXZZNPYFWEGRW-UHFFFAOYSA-N 0 0 433.533 5.587 50 0 IKAARN Clc1ccc(Cn2c(-c3cccs3)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008426406 556168867 /nfs/dbraw/zinc/16/88/67/556168867.db2.gz ILNPYGAIHBPVGH-UHFFFAOYSA-N 0 0 426.972 7.647 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C(=O)c2ccccc2)cc1 ZINC000008426620 556169008 /nfs/dbraw/zinc/16/90/08/556169008.db2.gz VXNCYQATTAKWLC-ZJSXRUAMSA-N 0 0 447.332 5.510 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008426700 556169044 /nfs/dbraw/zinc/16/90/44/556169044.db2.gz XIOMSBOFYKNISP-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000008426748 556169395 /nfs/dbraw/zinc/16/93/95/556169395.db2.gz GGVLFDRIUMBEKG-LADGPHEKSA-N 0 0 449.348 6.008 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl ZINC000008427194 556169417 /nfs/dbraw/zinc/16/94/17/556169417.db2.gz RLPNYOQXRRHRGH-FQEVSTJZSA-N 0 0 431.750 7.011 50 0 IKAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(N(C)c3ccccc3)cc2)cc1 ZINC000008426832 556169423 /nfs/dbraw/zinc/16/94/23/556169423.db2.gz KLYPLVUDUTUYMT-UHFFFAOYSA-N 0 0 433.599 7.097 50 0 IKAARN COc1cccc(NC(=O)CCCCCCCCCCC(=O)Nc2cccc(OC)c2)c1 ZINC000008427390 556169716 /nfs/dbraw/zinc/16/97/16/556169716.db2.gz NMDGPLOCQUZMCH-UHFFFAOYSA-N 0 0 440.584 6.182 50 0 IKAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000008430676 556170445 /nfs/dbraw/zinc/17/04/45/556170445.db2.gz MPAPOQFDHBUXDQ-LLVKDONJSA-N 0 0 442.364 5.516 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000008431607 556171098 /nfs/dbraw/zinc/17/10/98/556171098.db2.gz HYUZMXWPYFYBRQ-LITSAYRRSA-N 0 0 432.523 6.605 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000008431647 556171561 /nfs/dbraw/zinc/17/15/61/556171561.db2.gz GBSAGACUTNJOCD-HFSBSBEISA-N 0 0 426.947 6.777 50 0 IKAARN CCOc1ccccc1[C@H]1Nc2ccc(Br)cc2C(=O)N1c1cccc(C)c1 ZINC000008432251 556171773 /nfs/dbraw/zinc/17/17/73/556171773.db2.gz IWCIUIYQTDHEFY-QFIPXVFZSA-N 0 0 437.337 5.927 50 0 IKAARN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O ZINC000008439136 556175215 /nfs/dbraw/zinc/17/52/15/556175215.db2.gz FANQGAIOBOLDDE-CIAFOILYSA-N 0 0 433.533 5.206 50 0 IKAARN C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c4ccccc34)c2C1 ZINC000008439280 556175441 /nfs/dbraw/zinc/17/54/41/556175441.db2.gz LARANPFIXPUHNA-QGZVFWFLSA-N 0 0 447.600 6.809 50 0 IKAARN O=C1Sc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)c3cccc1c23 ZINC000008439245 556175449 /nfs/dbraw/zinc/17/54/49/556175449.db2.gz FDRDMGHRPZQCQP-UHFFFAOYSA-N 0 0 445.565 5.477 50 0 IKAARN CSc1nc2ccc(S(=O)(=O)Nc3ccc4c(c3)oc3ccccc34)cc2s1 ZINC000008439761 556175869 /nfs/dbraw/zinc/17/58/69/556175869.db2.gz KRYREGOPXXAJEA-UHFFFAOYSA-N 0 0 426.544 5.718 50 0 IKAARN COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1-c1cccc(C)c1)c(C)n2C ZINC000008440330 556176530 /nfs/dbraw/zinc/17/65/30/556176530.db2.gz MPMQHNNPRFRXFT-FYWRMAATSA-N 0 0 435.527 5.673 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)c1 ZINC000008441075 556176766 /nfs/dbraw/zinc/17/67/66/556176766.db2.gz NGORUCBOMLKXTC-UHFFFAOYSA-N 0 0 449.579 7.082 50 0 IKAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3cccc4ccccc43)n2)cc1 ZINC000008441042 556176860 /nfs/dbraw/zinc/17/68/60/556176860.db2.gz DNKARBKVRAKFPY-UHFFFAOYSA-N 0 0 435.523 6.672 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442261 556177107 /nfs/dbraw/zinc/17/71/07/556177107.db2.gz DKXAFVUPTBRPIK-LCLRXQSTSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@H]1CC[C@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442260 556177148 /nfs/dbraw/zinc/17/71/48/556177148.db2.gz DKXAFVUPTBRPIK-WTLVGJOKSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 ZINC000008442222 556177165 /nfs/dbraw/zinc/17/71/65/556177165.db2.gz IUEONDMREDACST-VMIIQTFKSA-N 0 0 446.660 7.644 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 ZINC000008442221 556177186 /nfs/dbraw/zinc/17/71/86/556177186.db2.gz IUEONDMREDACST-OOICKAIWSA-N 0 0 446.660 7.644 50 0 IKAARN O=c1/c(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)sc2nc3ccccc3n12 ZINC000008442469 556177336 /nfs/dbraw/zinc/17/73/36/556177336.db2.gz AOGFJLFVTXTKCL-QRVIBDJDSA-N 0 0 441.943 5.113 50 0 IKAARN CN(C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)c1ccccc1 ZINC000008442647 556177463 /nfs/dbraw/zinc/17/74/63/556177463.db2.gz FPNYNBJEXQYUIZ-UHFFFAOYSA-N 0 0 429.467 5.016 50 0 IKAARN Cc1ccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1 ZINC000008442730 556177776 /nfs/dbraw/zinc/17/77/76/556177776.db2.gz KPLYXNIADXWMGL-UHFFFAOYSA-N 0 0 435.471 5.883 50 0 IKAARN O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1F ZINC000008442727 556177779 /nfs/dbraw/zinc/17/77/79/556177779.db2.gz QSYHUSJCQKUCML-UHFFFAOYSA-N 0 0 425.407 5.406 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(nc3sc(C(=O)c4ccccc4)c(N)c3c2-c2cccs2)C1 ZINC000008443128 556178083 /nfs/dbraw/zinc/17/80/83/556178083.db2.gz GCEMRHKMFUKGBW-MRXNPFEDSA-N 0 0 446.641 6.989 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCCc1ccccc1)CC[C@@H](C)C2 ZINC000008445620 556179909 /nfs/dbraw/zinc/17/99/09/556179909.db2.gz UKPIOCXDFHNXNH-QGZVFWFLSA-N 0 0 432.589 5.406 50 0 IKAARN CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000008445753 556180162 /nfs/dbraw/zinc/18/01/62/556180162.db2.gz MWNJTZSNKXRPKI-XAYXJRQQSA-N 0 0 443.499 6.085 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)cc1 ZINC000008448606 556180721 /nfs/dbraw/zinc/18/07/21/556180721.db2.gz WWEDWSUNHGEEOW-UHFFFAOYSA-N 0 0 428.435 5.804 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)c1 ZINC000008448591 556180770 /nfs/dbraw/zinc/18/07/70/556180770.db2.gz NOVBDZFIWUWQPR-UHFFFAOYSA-N 0 0 434.590 5.156 50 0 aggregator IKAARN Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@H]3c3cccs3)sc2n1 ZINC000008450708 556181616 /nfs/dbraw/zinc/18/16/16/556181616.db2.gz IUWJTIWQRZCDKZ-AWEZNQCLSA-N 0 0 438.603 5.610 50 0 IKAARN COc1ccc(-c2c3c(nc4c2CCCC4)sc2c3ncn(-c3ccccc3)c2=O)cc1 ZINC000008450784 556181645 /nfs/dbraw/zinc/18/16/45/556181645.db2.gz BIBVLDADKLVYGZ-UHFFFAOYSA-N 0 0 439.540 5.550 50 0 IKAARN Cc1cc(C)n(-c2nnnc3c2sc2nc4c(c(-c5ccc(Cl)cc5)c23)CCCC4)n1 ZINC000008450766 556181685 /nfs/dbraw/zinc/18/16/85/556181685.db2.gz MMJIAYIEBKLVRN-UHFFFAOYSA-N 0 0 446.967 5.636 50 0 IKAARN Cc1cc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 ZINC000008450984 556181793 /nfs/dbraw/zinc/18/17/93/556181793.db2.gz WENDESDQSKHBNF-UHFFFAOYSA-N 0 0 437.008 6.906 50 0 IKAARN COc1cccc(C(=O)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2N)c1 ZINC000008451208 556181830 /nfs/dbraw/zinc/18/18/30/556181830.db2.gz CCYUVBSYLHBQRR-UHFFFAOYSA-N 0 0 442.565 6.514 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc(C(F)F)cc(-c3ccccc3)c12 ZINC000008450969 556181913 /nfs/dbraw/zinc/18/19/13/556181913.db2.gz JZPVRURUGYRHGD-UHFFFAOYSA-N 0 0 449.309 7.021 50 0 IKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3cccs3)c12 ZINC000008451202 556181918 /nfs/dbraw/zinc/18/19/18/556181918.db2.gz VKAZDPFECFPGMH-UHFFFAOYSA-N 0 0 436.558 6.706 50 0 IKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1 ZINC000008451429 556182196 /nfs/dbraw/zinc/18/21/96/556182196.db2.gz YBSMFSGQGIUPNU-TXKCWOHGSA-N 0 0 431.532 5.129 50 0 IKAARN O=C(c1ccccc1)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000008451917 556182451 /nfs/dbraw/zinc/18/24/51/556182451.db2.gz QJZWFJMXJOCATO-MHZLTWQESA-N 0 0 436.942 7.253 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000008452504 556182795 /nfs/dbraw/zinc/18/27/95/556182795.db2.gz CPETXWHEDQNDCE-UHFFFAOYSA-N 0 0 432.882 6.066 50 0 IKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008452538 556183029 /nfs/dbraw/zinc/18/30/29/556183029.db2.gz SZEJXKFOZCECRP-SFHVURJKSA-N 0 0 434.967 6.533 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1ccncc1)N(C(C)=O)c1ccccc1-2 ZINC000008453047 556183887 /nfs/dbraw/zinc/18/38/87/556183887.db2.gz GMEIPBILFXFVSQ-JOCHJYFZSA-N 0 0 435.553 5.050 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccncc1)N(C(C)=O)c1ccccc1-2 ZINC000008453046 556183899 /nfs/dbraw/zinc/18/38/99/556183899.db2.gz GMEIPBILFXFVSQ-QFIPXVFZSA-N 0 0 435.553 5.050 50 0 IKAARN COc1ccccc1CNc1c(F)c(F)c2nc3c(cc2c1F)c(-c1ccccc1)nn3C ZINC000008453515 556184373 /nfs/dbraw/zinc/18/43/73/556184373.db2.gz GLSPXUZPWIWZAG-UHFFFAOYSA-N 0 0 448.448 5.827 50 0 IKAARN Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000008453370 556184408 /nfs/dbraw/zinc/18/44/08/556184408.db2.gz YHHPJMNSOYZHEH-UHFFFAOYSA-N 0 0 443.587 7.062 50 0 IKAARN CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000008453359 556184459 /nfs/dbraw/zinc/18/44/59/556184459.db2.gz MOADAZDBPRCZQF-STQMWFEESA-N 0 0 435.200 5.312 50 0 IKAARN CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000008453353 556184496 /nfs/dbraw/zinc/18/44/96/556184496.db2.gz UZDUOODWACQMEI-LBPRGKRZSA-N 0 0 441.163 5.741 50 0 IKAARN COc1ccccc1C(=O)Oc1cccc2c(OC(=O)c3ccccc3OC)cccc12 ZINC000008453364 556184515 /nfs/dbraw/zinc/18/45/15/556184515.db2.gz GYWUWMCNOMYRLT-UHFFFAOYSA-N 0 0 428.440 5.295 50 0 IKAARN O=C(c1sc2nccc3c2c1nnn3Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000008453870 556184716 /nfs/dbraw/zinc/18/47/16/556184716.db2.gz ZCLNZGAKEDGDLB-UHFFFAOYSA-N 0 0 428.561 5.488 50 0 IKAARN Cc1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2Br)cc1Cl ZINC000008454187 556184983 /nfs/dbraw/zinc/18/49/83/556184983.db2.gz KFYFASYRAHCLMW-UHFFFAOYSA-N 0 0 448.792 5.785 50 0 IKAARN COc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccccc2)cc1 ZINC000008454179 556185111 /nfs/dbraw/zinc/18/51/11/556185111.db2.gz LHGBPESPYCHFIU-UHFFFAOYSA-N 0 0 444.600 6.641 50 0 IKAARN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008454517 556185234 /nfs/dbraw/zinc/18/52/34/556185234.db2.gz BUFOLTTUTBCMGH-UHFFFAOYSA-N 0 0 428.985 5.712 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008454514 556185237 /nfs/dbraw/zinc/18/52/37/556185237.db2.gz WLMRFHHMNPHNJB-UHFFFAOYSA-N 0 0 446.422 6.400 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3n2)cc1 ZINC000008454548 556185248 /nfs/dbraw/zinc/18/52/48/556185248.db2.gz GMJYXQPIXXQJHF-UHFFFAOYSA-N 0 0 436.506 5.341 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)CC13CC4CC(CC(C4)C1)C3)C[C@H](C(C)(C)C)CC2 ZINC000008454479 556185290 /nfs/dbraw/zinc/18/52/90/556185290.db2.gz UTJLFODPBGFCPJ-BSRLHWHNSA-N 0 0 443.653 6.231 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)CC13CC4CC(CC(C4)C1)C3)C[C@@H](C(C)(C)C)CC2 ZINC000008454480 556185299 /nfs/dbraw/zinc/18/52/99/556185299.db2.gz UTJLFODPBGFCPJ-IGLNGXFKSA-N 0 0 443.653 6.231 50 0 IKAARN CC1(C)C[C@H](NC(=O)c2ccccc2Cl)C[C@](C)(CNC(=O)c2ccccc2Cl)C1 ZINC000008455677 556185569 /nfs/dbraw/zinc/18/55/69/556185569.db2.gz NBCPDNQJZGBUMD-FYSMJZIKSA-N 0 0 447.406 5.738 50 0 IKAARN C[C@H](CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000008455660 556185617 /nfs/dbraw/zinc/18/56/17/556185617.db2.gz GTTTUPHLIOHOKJ-KLSSDNRTSA-N 0 0 446.635 5.629 50 0 IKAARN CC1(C)C[C@@H](NC(=O)c2ccccc2Cl)C[C@](C)(CNC(=O)c2ccccc2Cl)C1 ZINC000008455678 556185632 /nfs/dbraw/zinc/18/56/32/556185632.db2.gz NBCPDNQJZGBUMD-GYCJOSAFSA-N 0 0 447.406 5.738 50 0 IKAARN COc1ccc(/C=C2\NC(=S)N([C@H](C)c3ccccc3)C2=O)cc1COc1ccccc1 ZINC000008455635 556185672 /nfs/dbraw/zinc/18/56/72/556185672.db2.gz YAKAUQVPFDYFHK-MPGAHLTBSA-N 0 0 444.556 5.093 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008456216 556185837 /nfs/dbraw/zinc/18/58/37/556185837.db2.gz JYYBHYOMFLDCQN-UHFFFAOYSA-N 0 0 432.395 6.010 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008456215 556185957 /nfs/dbraw/zinc/18/59/57/556185957.db2.gz DPXCAJTYEHPELM-UHFFFAOYSA-N 0 0 446.422 6.400 50 0 IKAARN CC(C)(COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000003064713 556187277 /nfs/dbraw/zinc/18/72/77/556187277.db2.gz YUQJFOZSJKAAHB-SFHVURJKSA-N 0 0 439.364 5.595 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000008589907 556188570 /nfs/dbraw/zinc/18/85/70/556188570.db2.gz CTQNVYBBMHPCFL-MRXNPFEDSA-N 0 0 449.399 5.758 50 0 IKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 ZINC000008590666 556188938 /nfs/dbraw/zinc/18/89/38/556188938.db2.gz ZTZDYGUBRIWCBQ-UHFFFAOYSA-N 0 0 434.923 6.561 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccc2c(Cl)cccc12 ZINC000008590638 556188972 /nfs/dbraw/zinc/18/89/72/556188972.db2.gz LCZQABKZOVQWMB-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN COc1ccccc1-c1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)no1 ZINC000008592872 556189254 /nfs/dbraw/zinc/18/92/54/556189254.db2.gz IATUORWXMGRYBI-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)nn1Cc1ccc(Cl)cc1 ZINC000008592934 556189642 /nfs/dbraw/zinc/18/96/42/556189642.db2.gz KOQGHTFKNOOEDY-UHFFFAOYSA-N 0 0 427.291 5.454 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@H](c1ccc(OCC)cc1)C2 ZINC000008594118 556189686 /nfs/dbraw/zinc/18/96/86/556189686.db2.gz OHLILFMIUCOFMV-LJQANCHMSA-N 0 0 447.531 5.102 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000008594778 556189854 /nfs/dbraw/zinc/18/98/54/556189854.db2.gz IFXOTGXWOOVUNM-AREMUKBSSA-N 0 0 428.557 5.037 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000008594727 556189912 /nfs/dbraw/zinc/18/99/12/556189912.db2.gz VZMFPIRTTVPQRR-AREMUKBSSA-N 0 0 428.557 5.290 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000008603449 556190976 /nfs/dbraw/zinc/19/09/76/556190976.db2.gz LQDPDOFCPMKFDW-HSZRJFAPSA-N 0 0 431.536 5.052 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCCc2ccc(C)cc2)c1C ZINC000008604514 556191364 /nfs/dbraw/zinc/19/13/64/556191364.db2.gz ZEFDJZVYUJKGDB-UHFFFAOYSA-N 0 0 432.564 5.006 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)N(C(C)=O)c1ccccc1-2 ZINC000008606317 556191655 /nfs/dbraw/zinc/19/16/55/556191655.db2.gz PFFQTDSBDVSHHQ-NRFANRHFSA-N 0 0 440.594 5.635 50 0 IKAARN CCCSc1ncc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)n1 ZINC000008612121 556191993 /nfs/dbraw/zinc/19/19/93/556191993.db2.gz PLXABFCLCUCJCM-UHFFFAOYSA-N 0 0 436.364 5.721 50 0 IKAARN O=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000008616736 556192854 /nfs/dbraw/zinc/19/28/54/556192854.db2.gz SIBJAKBWBPLDGB-UHFFFAOYSA-N 0 0 437.779 7.120 50 0 IKAARN CC(C)(C)c1ccc(-c2cc3ncnc(Nc4cccc(Br)c4)c3s2)cc1 ZINC000008628170 556193923 /nfs/dbraw/zinc/19/39/23/556193923.db2.gz YQLQUJAKTIDMBE-UHFFFAOYSA-N 0 0 438.394 7.162 50 0 IKAARN FC(F)(F)c1cc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc(C(F)(F)F)c1 ZINC000008629713 556194099 /nfs/dbraw/zinc/19/40/99/556194099.db2.gz BDVAHSBJPVLSLK-UHFFFAOYSA-N 0 0 438.396 7.745 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1c2c(cc(N3CCCC3)c1C)C(C)(C)CC2(C)C ZINC000008629797 556194152 /nfs/dbraw/zinc/19/41/52/556194152.db2.gz VZBWQDVHPMIDCK-UHFFFAOYSA-N 0 0 436.596 5.824 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000008629395 556194162 /nfs/dbraw/zinc/19/41/62/556194162.db2.gz DMVYIJSYNYITQS-UHFFFAOYSA-N 0 0 439.846 6.429 50 0 IKAARN c1ccc(-c2nnc(Sc3ncnc4sc5c(c43)CCCC5)n2-c2ccccc2)cc1 ZINC000008636654 556194450 /nfs/dbraw/zinc/19/44/50/556194450.db2.gz KSOVKEZJTPOZCZ-UHFFFAOYSA-N 0 0 441.585 5.969 50 0 IKAARN Clc1ccc(C2=NO[C@@H](Cc3ccccc3OCc3c(Cl)cccc3Cl)C2)cc1 ZINC000008636888 556194792 /nfs/dbraw/zinc/19/47/92/556194792.db2.gz PBUYPRFTRLIRRF-SFHVURJKSA-N 0 0 446.761 6.962 50 0 IKAARN O=C(Nc1sccc1-c1nc2ccccc2s1)Nc1ccc(OC(F)(F)F)cc1 ZINC000008636856 556194813 /nfs/dbraw/zinc/19/48/13/556194813.db2.gz YYROKRSISHQWIL-UHFFFAOYSA-N 0 0 435.452 6.567 50 0 IKAARN Fc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000008636953 556194930 /nfs/dbraw/zinc/19/49/30/556194930.db2.gz WGPFEDIIDVQNKT-JTHBVZDNSA-N 0 0 435.955 6.200 50 0 IKAARN O=c1c2cc(-c3ccccc3)sc2n(Cc2ccc(F)cc2)c(=O)n1-c1ccccc1 ZINC000008637018 556194934 /nfs/dbraw/zinc/19/49/34/556194934.db2.gz DBIDRVPPPZCXPK-UHFFFAOYSA-N 0 0 428.488 5.068 50 0 IKAARN Fc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000008636954 556195035 /nfs/dbraw/zinc/19/50/35/556195035.db2.gz WGPFEDIIDVQNKT-GGAORHGYSA-N 0 0 435.955 6.200 50 0 IKAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)ccnc1OCC(F)(F)F ZINC000008647719 556195576 /nfs/dbraw/zinc/19/55/76/556195576.db2.gz RWNURVOSDWZHAE-UHFFFAOYSA-N 0 0 447.162 5.278 50 0 IKAARN FC(F)(F)c1cccc(N2C(=S)N=NC2CSCc2cccc3ccccc32)c1 ZINC000008647833 556195683 /nfs/dbraw/zinc/19/56/83/556195683.db2.gz VZJGGDIQDMLLJX-UHFFFAOYSA-N 0 0 431.508 6.161 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000008648252 556195978 /nfs/dbraw/zinc/19/59/78/556195978.db2.gz CPUMPVIRPNTBDH-YPMHNXCESA-N 0 0 437.968 5.262 50 0 IKAARN COc1ccc([C@H](CC(=O)c2ccc(C)cc2)SCc2c(F)cccc2Cl)cc1 ZINC000008648205 556195998 /nfs/dbraw/zinc/19/59/98/556195998.db2.gz GZVXGYFRFGSICW-DEOSSOPVSA-N 0 0 428.956 7.044 50 0 IKAARN FC(F)(F)c1ccc(Sc2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c32)nc1 ZINC000008648488 556196220 /nfs/dbraw/zinc/19/62/20/556196220.db2.gz ZIYPQVZRAXFQHE-UHFFFAOYSA-N 0 0 443.199 7.125 50 0 IKAARN CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000008649324 556196629 /nfs/dbraw/zinc/19/66/29/556196629.db2.gz BTYIMVIFXZOXQE-UHFFFAOYSA-N 0 0 430.426 6.322 50 0 IKAARN Cn1c2ccccc2nc1-c1c(N)n(CCCc2ccccc2)c2nc3ccccc3nc12 ZINC000008666037 556197552 /nfs/dbraw/zinc/19/75/52/556197552.db2.gz BQQWMXUYUQDOGR-UHFFFAOYSA-N 0 0 432.531 5.353 50 0 aggregator IKAARN CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000008687060 556199951 /nfs/dbraw/zinc/19/99/51/556199951.db2.gz PMEQBGAGFZDWQX-UHFFFAOYSA-N 0 0 446.616 5.430 50 0 in-vitro IKAARN COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000008690323 556200214 /nfs/dbraw/zinc/20/02/14/556200214.db2.gz VIPUANDTXVAADT-UHFFFAOYSA-N 0 0 432.589 5.040 50 0 IKAARN c1coc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000008694706 556200690 /nfs/dbraw/zinc/20/06/90/556200690.db2.gz QBYFTZBSRDVXJN-OAQYLSRUSA-N 0 0 427.554 6.974 50 0 IKAARN c1coc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000008694705 556200720 /nfs/dbraw/zinc/20/07/20/556200720.db2.gz QBYFTZBSRDVXJN-NRFANRHFSA-N 0 0 427.554 6.974 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cn1 ZINC000008694345 556200748 /nfs/dbraw/zinc/20/07/48/556200748.db2.gz ZZBJLXKFMPUVIL-UHFFFAOYSA-N 0 0 447.119 5.517 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccs2)c(OC)c1 ZINC000008706496 556201158 /nfs/dbraw/zinc/20/11/58/556201158.db2.gz UFIMGEFGWXDQDG-JOCHJYFZSA-N 0 0 446.532 5.043 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000008715680 556202107 /nfs/dbraw/zinc/20/21/07/556202107.db2.gz QBBBQKLXRHRJKQ-PHRSOMKHSA-N 0 0 425.484 5.282 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008721726 556203021 /nfs/dbraw/zinc/20/30/21/556203021.db2.gz SKIOCWAJIPXETG-GOSISDBHSA-N 0 0 434.348 5.157 50 0 IKAARN O=C1N[C@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000008721978 556203032 /nfs/dbraw/zinc/20/30/32/556203032.db2.gz GMOYKFKZDHZAQV-FQEVSTJZSA-N 0 0 444.387 5.467 50 0 IKAARN CCCCN(CCCC)C(=S)SCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000008721991 556203036 /nfs/dbraw/zinc/20/30/36/556203036.db2.gz IYIUTAYXBPYPAJ-UHFFFAOYSA-N 0 0 440.678 6.370 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008721725 556203067 /nfs/dbraw/zinc/20/30/67/556203067.db2.gz SKIOCWAJIPXETG-SFHVURJKSA-N 0 0 434.348 5.157 50 0 IKAARN COc1ccc(C(=O)Oc2cc(C)c(Br)cc2C(C)C)cc1Br ZINC000008722504 556203435 /nfs/dbraw/zinc/20/34/35/556203435.db2.gz KSJLUBPFUSPPPF-UHFFFAOYSA-N 0 0 442.147 5.871 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008739140 556205437 /nfs/dbraw/zinc/20/54/37/556205437.db2.gz VPKVOZMFVMSPSR-BDYUSTAISA-N 0 0 446.978 7.151 50 0 IKAARN c1c(-c2ccccc2)n(CCc2ccccc2)c2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000008739410 556205786 /nfs/dbraw/zinc/20/57/86/556205786.db2.gz HQKRGXOFVPWRHV-UHFFFAOYSA-N 0 0 439.562 7.380 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)c3ccc(Br)cc3)s2)c1 ZINC000008739795 556205878 /nfs/dbraw/zinc/20/58/78/556205878.db2.gz PVJUENYGHDDVSD-UHFFFAOYSA-N 0 0 446.370 5.564 50 0 IKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000008740563 556206263 /nfs/dbraw/zinc/20/62/63/556206263.db2.gz BAZPTYJTVHVOCZ-SFHVURJKSA-N 0 0 437.414 7.742 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1 ZINC000008743212 556207605 /nfs/dbraw/zinc/20/76/05/556207605.db2.gz UEHMPKAHYNTTCQ-UHFFFAOYSA-N 0 0 432.914 5.146 50 0 IKAARN CCc1cccc2c(C3=Nn4c(nnc4[C@@H]4CCCO4)S[C@H]3c3ccccc3)c[nH]c21 ZINC000008745058 556208828 /nfs/dbraw/zinc/20/88/28/556208828.db2.gz MTIWRZGFHIXNLW-UGKGYDQZSA-N 0 0 429.549 5.273 50 0 IKAARN CC(C)n1cnnc1SCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000008745787 556209372 /nfs/dbraw/zinc/20/93/72/556209372.db2.gz ZGJAZIVYVSUPNJ-UHFFFAOYSA-N 0 0 447.358 5.145 50 0 IKAARN CC(=O)[C@@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)c1ccccc1 ZINC000008745769 556209435 /nfs/dbraw/zinc/20/94/35/556209435.db2.gz YJDKDZNISJCMGH-LJQANCHMSA-N 0 0 440.977 5.738 50 0 IKAARN Nc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000008748712 556210304 /nfs/dbraw/zinc/21/03/04/556210304.db2.gz RWNHDEYSLBGKFA-UHFFFAOYSA-N 0 0 444.482 5.229 50 0 IKAARN OCCCn1c(-c2ccc(OC(F)F)cc2)cs/c1=N\c1ccc(OC(F)F)cc1 ZINC000008751874 556210634 /nfs/dbraw/zinc/21/06/34/556210634.db2.gz DVFNHLONRJXTPG-QQTULTPQSA-N 0 0 442.434 5.034 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008753529 556210650 /nfs/dbraw/zinc/21/06/50/556210650.db2.gz VAFLHUXTCODXQV-UHFFFAOYSA-N 0 0 430.312 5.335 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)COc1ccccc1 ZINC000008756313 556210947 /nfs/dbraw/zinc/21/09/47/556210947.db2.gz JCVZEWKVCVXADS-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1ccc2[nH]c(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1 ZINC000008758519 556211322 /nfs/dbraw/zinc/21/13/22/556211322.db2.gz IYIHWKWHCOGWKA-UHFFFAOYSA-N 0 0 433.489 5.210 50 0 IKAARN COCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 ZINC000008771622 556213523 /nfs/dbraw/zinc/21/35/23/556213523.db2.gz JKRZUESUSNFKPH-RQZHXJHFSA-N 0 0 443.572 5.738 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@H]4CCCC[C@H]4c4sccc43)cc2)cc1 ZINC000008782722 556214896 /nfs/dbraw/zinc/21/48/96/556214896.db2.gz OIHIHXHRQAFSFC-PUHATCMVSA-N 0 0 440.586 5.970 50 0 IKAARN CCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000008782422 556214949 /nfs/dbraw/zinc/21/49/49/556214949.db2.gz BFVGRNSBYYCETN-UHFFFAOYSA-N 0 0 440.590 5.550 50 0 IKAARN COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](/C(C)=C\c2ccccc2)C1=O ZINC000097466099 556215018 /nfs/dbraw/zinc/21/50/18/556215018.db2.gz YFVRYFNPCLQFRN-YOBSFCNSSA-N 0 0 446.934 5.201 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c(-c3cccc4ccccc43)nn(C(=O)/C=C\c3ccccc3)c21 ZINC000097475291 556216731 /nfs/dbraw/zinc/21/67/31/556216731.db2.gz HDZWLZAXCRWLFQ-HIXXDTDZSA-N 0 0 434.583 7.694 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1C ZINC000008816259 556217446 /nfs/dbraw/zinc/21/74/46/556217446.db2.gz HBOZLQFLVMHOLR-WSDLNYQXSA-N 0 0 447.560 5.514 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccccc1Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000008816234 556217452 /nfs/dbraw/zinc/21/74/52/556217452.db2.gz DNURIPHXTHHIBQ-UHFFFAOYSA-N 0 0 440.355 7.113 50 0 IKAARN O=C(Nc1nnc(-c2ccccc2Br)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008817102 556218088 /nfs/dbraw/zinc/21/80/88/556218088.db2.gz SJIYZBPQRVGUQI-UHFFFAOYSA-N 0 0 444.141 5.918 50 0 IKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000008830852 556225137 /nfs/dbraw/zinc/22/51/37/556225137.db2.gz HTAZDBMNNWLPEP-UHFFFAOYSA-N 0 0 430.870 5.927 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccccc1)c1cc(-c2ccccc2O)[nH]n1 ZINC000008845186 556226900 /nfs/dbraw/zinc/22/69/00/556226900.db2.gz OPAVFMGHWSXRAH-UHFFFAOYSA-N 0 0 438.443 5.033 50 0 IKAARN CC1(C)C[C@@H](NC(=S)Nc2ccccc2)C[C@](C)(CNC(=S)Nc2ccccc2)C1 ZINC000008846829 556227218 /nfs/dbraw/zinc/22/72/18/556227218.db2.gz LOOAQHXYFFVKPS-YKSBVNFPSA-N 0 0 440.682 5.545 50 0 IKAARN O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)Nc1ccccc1F ZINC000008856509 556227536 /nfs/dbraw/zinc/22/75/36/556227536.db2.gz NCSJPEBDLJXPED-UHFFFAOYSA-N 0 0 426.517 5.948 50 0 IKAARN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000008861501 556228386 /nfs/dbraw/zinc/22/83/86/556228386.db2.gz VZFOHZNDMONGEQ-UHFFFAOYSA-N 0 0 442.515 6.244 50 0 IKAARN CC(C)n1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 ZINC000008883309 556230643 /nfs/dbraw/zinc/23/06/43/556230643.db2.gz LBSCRHBWGWIURT-AWEZNQCLSA-N 0 0 431.521 5.362 50 0 IKAARN CC(C)n1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 ZINC000008883311 556230714 /nfs/dbraw/zinc/23/07/14/556230714.db2.gz LBSCRHBWGWIURT-CQSZACIVSA-N 0 0 431.521 5.362 50 0 IKAARN CCCCOc1ccccc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000008917599 556232754 /nfs/dbraw/zinc/23/27/54/556232754.db2.gz LOLYZXDCXMFVSL-UHFFFAOYSA-N 0 0 433.986 5.915 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000008919445 556233199 /nfs/dbraw/zinc/23/31/99/556233199.db2.gz CGLMAYDXFNSTFR-XNTDXEJSSA-N 0 0 428.557 6.747 50 0 IKAARN COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1Cl ZINC000008921681 556233456 /nfs/dbraw/zinc/23/34/56/556233456.db2.gz VESGWYCOKDCBOT-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 ZINC000008922414 556233743 /nfs/dbraw/zinc/23/37/43/556233743.db2.gz PEZVLEVGLKFWGB-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN CCCCOc1ccc(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCCC2)cc1 ZINC000008926100 556233938 /nfs/dbraw/zinc/23/39/38/556233938.db2.gz FXCZYBVDPILSJJ-UHFFFAOYSA-N 0 0 441.615 6.626 50 0 IKAARN Cc1ccc(CN2c3ccc(Br)cc3[C@](O)(c3c[nH]c4ccccc43)C2=O)cc1 ZINC000008923742 556233998 /nfs/dbraw/zinc/23/39/98/556233998.db2.gz MDAMXHMDIYRBNY-DEOSSOPVSA-N 0 0 447.332 5.022 50 0 IKAARN Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)c1 ZINC000008927850 556235051 /nfs/dbraw/zinc/23/50/51/556235051.db2.gz VLNDCTCZMZEZTG-HSZRJFAPSA-N 0 0 425.937 5.026 50 0 IKAARN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000008934158 556235095 /nfs/dbraw/zinc/23/50/95/556235095.db2.gz LORDBJNMFSHHRD-UHFFFAOYSA-N 0 0 437.363 5.226 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1Br ZINC000008971940 556237643 /nfs/dbraw/zinc/23/76/43/556237643.db2.gz KOFWEFJVGQDCFD-UXBLZVDNSA-N 0 0 429.339 5.542 50 0 IKAARN O=C(Nc1ccccc1)/C(=C\c1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000009031482 556241691 /nfs/dbraw/zinc/24/16/91/556241691.db2.gz DGPQCLFNRCJQGN-UDWIEESQSA-N 0 0 427.287 5.109 50 0 IKAARN COc1cccc2c1O[C@H](c1ccc(Cl)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000009045451 556242795 /nfs/dbraw/zinc/24/27/95/556242795.db2.gz WUFXKPYTZMTPCB-NFBKMPQASA-N 0 0 425.315 6.244 50 0 IKAARN COCCOc1ncccc1C(=O)Nc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1 ZINC000097543037 556243152 /nfs/dbraw/zinc/24/31/52/556243152.db2.gz HJESGNDGVCMNOB-MRXNPFEDSA-N 0 0 425.916 5.186 50 0 IKAARN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000009064582 556244589 /nfs/dbraw/zinc/24/45/89/556244589.db2.gz RQXMLUGYOCXJTP-UHFFFAOYSA-N 0 0 443.366 5.558 50 0 IKAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1C ZINC000009066414 556244907 /nfs/dbraw/zinc/24/49/07/556244907.db2.gz KJYNJULNDKRDDN-STZFKDTASA-N 0 0 432.549 5.165 50 0 IKAARN COc1ccc(C2(CNC(=O)CC(c3ccccc3)c3ccccc3)CCCC2)cc1OC ZINC000009085954 556245520 /nfs/dbraw/zinc/24/55/20/556245520.db2.gz CDCZIIWPXSWXNL-UHFFFAOYSA-N 0 0 443.587 5.854 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000009096382 556247037 /nfs/dbraw/zinc/24/70/37/556247037.db2.gz CZMXPLKOAJVGGV-ZDUSSCGKSA-N 0 0 442.302 5.280 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccccc3Cl)oc3c(C)cccc3c2=O)cc1OC ZINC000009130095 556248781 /nfs/dbraw/zinc/24/87/81/556248781.db2.gz JCHAICSULBOGFG-UHFFFAOYSA-N 0 0 449.890 5.691 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000009145747 556249419 /nfs/dbraw/zinc/24/94/19/556249419.db2.gz YIYRQCUYSZKBIQ-CQSZACIVSA-N 0 0 439.751 6.026 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc([C@H]4CC4(Cl)Cl)cc3)o2)cc1 ZINC000009145865 556249507 /nfs/dbraw/zinc/24/95/07/556249507.db2.gz CYDBQBNXCURYJY-MRXNPFEDSA-N 0 0 435.332 5.381 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000009192314 556254026 /nfs/dbraw/zinc/25/40/26/556254026.db2.gz BXCVQPSIPQYTFJ-UHFFFAOYSA-N 0 0 446.532 5.196 50 0 IKAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000009192635 556254029 /nfs/dbraw/zinc/25/40/29/556254029.db2.gz YWQIJYNKHKTEBY-UHFFFAOYSA-N 0 0 435.955 5.194 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009210097 556257627 /nfs/dbraw/zinc/25/76/27/556257627.db2.gz BISSNWOBCOYNKF-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN CCCC[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000009202289 556257649 /nfs/dbraw/zinc/25/76/49/556257649.db2.gz XQGRIDCFNNLIAB-QGZVFWFLSA-N 0 0 439.726 5.440 50 0 IKAARN O=C(NCCc1ccccc1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000009224553 556258307 /nfs/dbraw/zinc/25/83/07/556258307.db2.gz FIACZRHSOIGRRZ-RUZDIDTESA-N 0 0 447.941 5.860 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccccc1)[C@@H]3c1ccc(C)cc1 ZINC000009224568 556258387 /nfs/dbraw/zinc/25/83/87/556258387.db2.gz RIPWQVCNSDEYLR-AREMUKBSSA-N 0 0 425.532 5.342 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 ZINC000009226644 556260413 /nfs/dbraw/zinc/26/04/13/556260413.db2.gz MGAFFLFGHINHSN-UHPHFRDNSA-N 0 0 428.642 5.543 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 ZINC000009226579 556260417 /nfs/dbraw/zinc/26/04/17/556260417.db2.gz KIFYSTWRHCJEAL-UHFFFAOYSA-N 0 0 448.954 5.742 50 0 IKAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000009226618 556260426 /nfs/dbraw/zinc/26/04/26/556260426.db2.gz LVRKZBDBLRVNNE-GORDUTHDSA-N 0 0 448.158 6.570 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc2ccccc2o1 ZINC000009226437 556260431 /nfs/dbraw/zinc/26/04/31/556260431.db2.gz CTWHBSJEFDWNKL-UHFFFAOYSA-N 0 0 426.472 6.625 50 0 IKAARN Cc1cc2sc(NC(=O)c3ccccc3I)nc2cc1Cl ZINC000009226809 556260451 /nfs/dbraw/zinc/26/04/51/556260451.db2.gz GLZLHQRECUTPGS-UHFFFAOYSA-N 0 0 428.682 5.115 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 ZINC000009226814 556260461 /nfs/dbraw/zinc/26/04/61/556260461.db2.gz OZVIORZLQMIYIB-UHFFFAOYSA-N 0 0 442.563 6.111 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1Cl ZINC000009226591 556260464 /nfs/dbraw/zinc/26/04/64/556260464.db2.gz XHFMSVLLGKSPHY-UHFFFAOYSA-N 0 0 427.291 5.378 50 0 IKAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000009226898 556260639 /nfs/dbraw/zinc/26/06/39/556260639.db2.gz FRODUETZKHJEHQ-UHFFFAOYSA-N 0 0 449.359 5.066 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 ZINC000009231897 556261287 /nfs/dbraw/zinc/26/12/87/556261287.db2.gz KUYFHQSOYIMQKL-LJQANCHMSA-N 0 0 434.923 5.219 50 0 IKAARN O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000009232653 556261679 /nfs/dbraw/zinc/26/16/79/556261679.db2.gz REDXJYHEPVJACY-OVCLIPMQSA-N 0 0 426.694 5.478 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1Cl ZINC000009234839 556263066 /nfs/dbraw/zinc/26/30/66/556263066.db2.gz HWCJOJFFPFUFII-SDNWHVSQSA-N 0 0 437.724 5.972 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc(Cl)c1 ZINC000009235975 556263474 /nfs/dbraw/zinc/26/34/74/556263474.db2.gz QYBPQLBDNDILTP-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)c1ccccc1 ZINC000009262648 556269514 /nfs/dbraw/zinc/26/95/14/556269514.db2.gz RLEZORKBWNKVKA-UHFFFAOYSA-N 0 0 436.364 5.109 50 0 IKAARN CCC(C)(C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 ZINC000009287760 556272082 /nfs/dbraw/zinc/27/20/82/556272082.db2.gz LKRCCWOJVXDNAD-UHFFFAOYSA-N 0 0 442.515 5.192 50 0 IKAARN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000009288250 556272709 /nfs/dbraw/zinc/27/27/09/556272709.db2.gz TZYXSTYPPMOHEX-QHCPKHFHSA-N 0 0 428.467 5.112 50 0 IKAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000009288299 556272800 /nfs/dbraw/zinc/27/28/00/556272800.db2.gz VGTWAKNGFSAGPT-HSZRJFAPSA-N 0 0 428.923 5.926 50 0 IKAARN Cc1cccc(NC2=C[C@@H](c3ccc4c5c(cccc53)CC4)N(c3cccc(C)c3)C2=O)c1 ZINC000009290915 556273909 /nfs/dbraw/zinc/27/39/09/556273909.db2.gz NTFPIBPIHRNKIV-NDEPHWFRSA-N 0 0 430.551 6.639 50 0 IKAARN Cc1cccc(NC2=C[C@H](c3ccc4c5c(cccc53)CC4)N(c3cccc(C)c3)C2=O)c1 ZINC000009290911 556273953 /nfs/dbraw/zinc/27/39/53/556273953.db2.gz NTFPIBPIHRNKIV-MUUNZHRXSA-N 0 0 430.551 6.639 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)cc1Cl ZINC000009291043 556274040 /nfs/dbraw/zinc/27/40/40/556274040.db2.gz MWNCDKHVVPHWLC-UHFFFAOYSA-N 0 0 441.000 5.437 50 0 IKAARN CCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(OCC)c1 ZINC000009295882 556275187 /nfs/dbraw/zinc/27/51/87/556275187.db2.gz YZKUAVQGMFIDFA-JAIQZWGSSA-N 0 0 445.924 5.057 50 0 IKAARN CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000009295940 556275297 /nfs/dbraw/zinc/27/52/97/556275297.db2.gz OADMCHGDFQJWIP-SXGWCWSVSA-N 0 0 438.730 5.742 50 0 IKAARN COc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2Cc2ccco2)c1 ZINC000009307340 556277164 /nfs/dbraw/zinc/27/71/64/556277164.db2.gz UDFNQIYRZLXZNA-UHFFFAOYSA-N 0 0 446.359 6.194 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 ZINC000009307218 556277180 /nfs/dbraw/zinc/27/71/80/556277180.db2.gz PPFRALJSMLRAPH-UHFFFAOYSA-N 0 0 442.588 6.097 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1F ZINC000013687818 556277412 /nfs/dbraw/zinc/27/74/12/556277412.db2.gz XAAACXIIZAPONT-PXNSSMCTSA-N 0 0 431.236 5.563 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccc(C)cc2)cc1 ZINC000009308057 556277485 /nfs/dbraw/zinc/27/74/85/556277485.db2.gz SSUYHJSVRJKWNZ-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1Cl ZINC000009307817 556277543 /nfs/dbraw/zinc/27/75/43/556277543.db2.gz VEEZBITVAVNEGA-UHFFFAOYSA-N 0 0 428.989 5.647 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000009307811 556277553 /nfs/dbraw/zinc/27/75/53/556277553.db2.gz BKGMDMLMJLUVLD-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 ZINC000013687940 556277804 /nfs/dbraw/zinc/27/78/04/556277804.db2.gz XSBYIPJWWFFLED-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccc(C)c1 ZINC000009308246 556277857 /nfs/dbraw/zinc/27/78/57/556277857.db2.gz UIBTUHNLWDQPNQ-UHFFFAOYSA-N 0 0 444.560 5.797 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009308925 556277860 /nfs/dbraw/zinc/27/78/60/556277860.db2.gz IHFCXYCQLDXVDQ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000009308129 556277880 /nfs/dbraw/zinc/27/78/80/556277880.db2.gz SIMLVMOCLRXUDS-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 ZINC000009308193 556277884 /nfs/dbraw/zinc/27/78/84/556277884.db2.gz CLFNPXJODPULCT-UHFFFAOYSA-N 0 0 436.512 5.019 50 0 IKAARN Clc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2cccnc2)cc1 ZINC000009308887 556277889 /nfs/dbraw/zinc/27/78/89/556277889.db2.gz SDZPODSOMWDFRZ-UHFFFAOYSA-N 0 0 428.948 6.428 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 ZINC000009308997 556278209 /nfs/dbraw/zinc/27/82/09/556278209.db2.gz VGAGONHSSUXQGV-UHFFFAOYSA-N 0 0 444.560 5.236 50 0 IKAARN COc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000009309110 556278213 /nfs/dbraw/zinc/27/82/13/556278213.db2.gz MRFHPNAPISAHAS-RMKNXTFCSA-N 0 0 433.964 6.402 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009309112 556278240 /nfs/dbraw/zinc/27/82/40/556278240.db2.gz AXBXQNQSVBULRZ-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000009308929 556278257 /nfs/dbraw/zinc/27/82/57/556278257.db2.gz OIBBRRHVCYFGMC-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(OC)cc2)cc1 ZINC000009309319 556278521 /nfs/dbraw/zinc/27/85/21/556278521.db2.gz CIABJIWBWWXDBC-UHFFFAOYSA-N 0 0 445.544 5.235 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000009309560 556278898 /nfs/dbraw/zinc/27/88/98/556278898.db2.gz NKFXNLSAFHNYDQ-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2)cc1OC ZINC000013689517 556279028 /nfs/dbraw/zinc/27/90/28/556279028.db2.gz NNTOTHCTEGPURQ-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1 ZINC000013690248 556279338 /nfs/dbraw/zinc/27/93/38/556279338.db2.gz XILABHKMBLMNDO-QFIPXVFZSA-N 0 0 434.879 5.005 50 0 IKAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1ccccc1O ZINC000013691625 556281018 /nfs/dbraw/zinc/28/10/18/556281018.db2.gz PUPIACIJHDNCLW-UHFFFAOYSA-N 0 0 442.500 5.117 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013691833 556281460 /nfs/dbraw/zinc/28/14/60/556281460.db2.gz AMKUPOBRCHLEQE-UHFFFAOYSA-N 0 0 426.969 5.204 50 0 IKAARN Cc1nc2oc3c(ncn(Cc4c(Cl)cccc4Cl)c3=O)c2c2c1COC(C)(C)C2 ZINC000013692320 556282015 /nfs/dbraw/zinc/28/20/15/556282015.db2.gz SJPIPWMTACKTFY-UHFFFAOYSA-N 0 0 444.318 5.053 50 0 IKAARN CC[C@@]1(C)C[C@](CCNC(=O)c2ccc(OC(C)(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000009327351 556281970 /nfs/dbraw/zinc/28/19/70/556281970.db2.gz RIBIQRJPMSFPRS-RRPNLBNLSA-N 0 0 441.587 6.040 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000009327480 556282018 /nfs/dbraw/zinc/28/20/18/556282018.db2.gz XHYMIULQBXHUKY-UHFFFAOYSA-N 0 0 437.546 5.031 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)c(=O)c3ccccc3n2C)cc1OC ZINC000009327883 556282429 /nfs/dbraw/zinc/28/24/29/556282429.db2.gz TZLRBZIEOHPUDQ-UHFFFAOYSA-N 0 0 448.906 5.128 50 0 IKAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009344851 556283790 /nfs/dbraw/zinc/28/37/90/556283790.db2.gz DGWRVNFVNJLNNV-JOCHJYFZSA-N 0 0 431.875 5.200 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000009348353 556283981 /nfs/dbraw/zinc/28/39/81/556283981.db2.gz CGGJPQBOGMMGRQ-CZXHOFHRSA-N 0 0 446.926 5.661 50 0 IKAARN O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000009371577 556286084 /nfs/dbraw/zinc/28/60/84/556286084.db2.gz DALSYLWUAMFMCN-UHFFFAOYSA-N 0 0 428.724 6.240 50 0 IKAARN Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1 ZINC000009371639 556286189 /nfs/dbraw/zinc/28/61/89/556286189.db2.gz WVBNZRGIIBRSPR-JOCHJYFZSA-N 0 0 435.907 5.128 50 0 IKAARN Cc1nnc(Nc2ccc3c(c2)nc2n3CCN([C@H](C)c3ccccc3)C2)c2ccccc12 ZINC000009408894 556287794 /nfs/dbraw/zinc/28/77/94/556287794.db2.gz HKJFLXORILOVQX-LJQANCHMSA-N 0 0 434.547 5.608 50 0 IKAARN CC[C@@H](Sc1nc2ccccc2s1)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1 ZINC000009408697 556287859 /nfs/dbraw/zinc/28/78/59/556287859.db2.gz ZVVPPZOYWVANRM-QGZVFWFLSA-N 0 0 440.619 5.099 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000009409972 556288139 /nfs/dbraw/zinc/28/81/39/556288139.db2.gz PESJLSMYTNBMON-UHFFFAOYSA-N 0 0 448.693 6.111 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000009410602 556288170 /nfs/dbraw/zinc/28/81/70/556288170.db2.gz SBXHVRDJGIZGET-IAQYHMDHSA-N 0 0 442.850 5.216 50 0 IKAARN O=C(Oc1ccc(-c2ccccc2)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009425832 556289966 /nfs/dbraw/zinc/28/99/66/556289966.db2.gz XSQNPJUHEDQFGD-SANMLTNESA-N 0 0 447.490 5.167 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000013721094 556290233 /nfs/dbraw/zinc/29/02/33/556290233.db2.gz GVCNDYNLPVVDAQ-HSZRJFAPSA-N 0 0 440.902 5.676 50 0 IKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1Br ZINC000009427035 556290618 /nfs/dbraw/zinc/29/06/18/556290618.db2.gz XFHZEVPHPSCBTR-UHFFFAOYSA-N 0 0 435.115 5.626 50 0 IKAARN COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)c(OC)c1 ZINC000009427245 556290851 /nfs/dbraw/zinc/29/08/51/556290851.db2.gz IHRAWPYLZNIIIH-INIZCTEOSA-N 0 0 447.922 5.288 50 0 IKAARN c1ccc2c(c1)ccc1c2Oc2ncn3nc(-c4cccnc4)nc3c2[C@@H]1c1cccnc1 ZINC000009429753 556290865 /nfs/dbraw/zinc/29/08/65/556290865.db2.gz JFPMSGBCNLKHCQ-OAQYLSRUSA-N 0 0 428.455 5.020 50 0 IKAARN CCOP(=O)(Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1)OCC ZINC000009427200 556290947 /nfs/dbraw/zinc/29/09/47/556290947.db2.gz YECQPMNIJPLVJY-UHFFFAOYSA-N 0 0 434.454 5.325 50 0 IKAARN c1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2cccnc2)nc1 ZINC000009433876 556291162 /nfs/dbraw/zinc/29/11/62/556291162.db2.gz YXPLWVKLQOSNLM-OAQYLSRUSA-N 0 0 428.455 5.020 50 0 IKAARN Brc1cncc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn32)c1 ZINC000013723854 556291892 /nfs/dbraw/zinc/29/18/92/556291892.db2.gz QQJLYVJYPBAENL-UHFFFAOYSA-N 0 0 434.322 5.344 50 0 IKAARN CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(OC(C)C)c1)N(c1cc(C)on1)C3=O ZINC000009449565 556292510 /nfs/dbraw/zinc/29/25/10/556292510.db2.gz TTXFHUREMRQEAW-QHCPKHFHSA-N 0 0 444.487 5.189 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(C(C)C)cc2)N1c1ccc(Cl)cc1 ZINC000009446713 556292541 /nfs/dbraw/zinc/29/25/41/556292541.db2.gz QSHVOCDTLBRJHZ-AREMUKBSSA-N 0 0 431.967 6.700 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000009463877 556293121 /nfs/dbraw/zinc/29/31/21/556293121.db2.gz MSMWZEASLOLWOH-UHFFFAOYSA-N 0 0 444.969 5.341 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2cccc(F)c2)n1Cc1ccco1)CCCC3 ZINC000009463777 556293170 /nfs/dbraw/zinc/29/31/70/556293170.db2.gz RGHSCUVHDARGDW-UHFFFAOYSA-N 0 0 426.538 5.410 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000009462272 556293218 /nfs/dbraw/zinc/29/32/18/556293218.db2.gz IDXCOHNIJICNCO-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN C[C@H]1CCCCN1C(=S)SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000009460877 556293253 /nfs/dbraw/zinc/29/32/53/556293253.db2.gz DBFKRACRFPSERW-HNNXBMFYSA-N 0 0 447.025 5.402 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc5ccccc54)c23)cc1 ZINC000009459710 556293280 /nfs/dbraw/zinc/29/32/80/556293280.db2.gz XZESINXXBKZKCW-UHFFFAOYSA-N 0 0 441.581 6.551 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc5c(c4)OCCO5)c23)cc1 ZINC000009460791 556293289 /nfs/dbraw/zinc/29/32/89/556293289.db2.gz NBRBIXOPIDDUSR-UHFFFAOYSA-N 0 0 449.557 5.169 50 0 IKAARN Clc1ccc(-n2ncc3c2ncnc3Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000009475186 556293621 /nfs/dbraw/zinc/29/36/21/556293621.db2.gz SYYGUZDSFCVDBA-UHFFFAOYSA-N 0 0 427.895 5.792 50 0 IKAARN O=C(C[C@@H]1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000013730131 556295131 /nfs/dbraw/zinc/29/51/31/556295131.db2.gz LQJVPJGAGWXOPY-OAHLLOKOSA-N 0 0 448.335 5.049 50 0 IKAARN Cc1ccc(OCc2nnc(SCc3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000009497281 556295081 /nfs/dbraw/zinc/29/50/81/556295081.db2.gz VJFBEEVZCZNQKW-UHFFFAOYSA-N 0 0 425.941 5.753 50 0 IKAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009497867 556295115 /nfs/dbraw/zinc/29/51/15/556295115.db2.gz HAPHDWJDSGBTGE-UHFFFAOYSA-N 0 0 443.572 5.827 50 0 IKAARN Cc1oc2c(cc3c(C)c(CC(=O)Nc4cccnc4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000013730343 556295260 /nfs/dbraw/zinc/29/52/60/556295260.db2.gz GMKHXCBIDGZNSR-UHFFFAOYSA-N 0 0 438.483 5.708 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1Cl ZINC000009499799 556295441 /nfs/dbraw/zinc/29/54/41/556295441.db2.gz BTBHRCSBXGVESS-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000009498913 556295527 /nfs/dbraw/zinc/29/55/27/556295527.db2.gz DMEAILFTTFJHSB-UHFFFAOYSA-N 0 0 446.576 5.615 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 ZINC000009498857 556295563 /nfs/dbraw/zinc/29/55/63/556295563.db2.gz YVIPTEGKNQGUAA-UHFFFAOYSA-N 0 0 436.512 5.073 50 0 IKAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000009498744 556295578 /nfs/dbraw/zinc/29/55/78/556295578.db2.gz KYJNGLONQNWIQM-UHFFFAOYSA-N 0 0 432.549 5.069 50 0 IKAARN CCc1ccccc1NC(=O)COC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc21 ZINC000009525779 556296082 /nfs/dbraw/zinc/29/60/82/556296082.db2.gz QCCFGVKVYGZDNW-UHFFFAOYSA-N 0 0 438.527 5.877 50 0 IKAARN CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 ZINC000013735869 556297422 /nfs/dbraw/zinc/29/74/22/556297422.db2.gz FKBMKIVEVBUZPO-UHFFFAOYSA-N 0 0 428.554 5.016 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1F ZINC000009546562 556297625 /nfs/dbraw/zinc/29/76/25/556297625.db2.gz LZQJWRZVQVLKQI-IBGZPJMESA-N 0 0 443.478 5.278 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccc(C)cc1 ZINC000009546560 556297636 /nfs/dbraw/zinc/29/76/36/556297636.db2.gz NFDWOQZUIDMPIK-NRFANRHFSA-N 0 0 439.515 5.447 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 ZINC000009546565 556297669 /nfs/dbraw/zinc/29/76/69/556297669.db2.gz GCBHCJZSLRZFKP-HXUWFJFHSA-N 0 0 443.478 5.278 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009546533 556297682 /nfs/dbraw/zinc/29/76/82/556297682.db2.gz IVWRBEYZLGSBLA-XMMPIXPASA-N 0 0 425.488 5.681 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000009553726 556297712 /nfs/dbraw/zinc/29/77/12/556297712.db2.gz IEKKFTBDEMLMAN-UHFFFAOYSA-N 0 0 426.516 6.560 50 0 IKAARN COc1ccc(OC)c([C@@H]2Cc3[nH]c(C(=O)OC4CCCCCCC4)c(C)c3C(=O)C2)c1 ZINC000009559778 556297959 /nfs/dbraw/zinc/29/79/59/556297959.db2.gz QRLZCSPODIWRTK-QGZVFWFLSA-N 0 0 439.552 5.523 50 0 IKAARN Cn1cc(C(c2cn(C)c3ccccc23)c2ccc(O)c(Br)c2)c2ccccc21 ZINC000009557730 556297980 /nfs/dbraw/zinc/29/79/80/556297980.db2.gz FEZBYZKGWPYBHV-UHFFFAOYSA-N 0 0 445.360 6.318 50 0 IKAARN C[C@@H]1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@H](C)C1 ZINC000009556692 556297998 /nfs/dbraw/zinc/29/79/98/556297998.db2.gz ZYRVCLZZVJSJRM-ZIAGYGMSSA-N 0 0 435.515 5.000 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1c[nH]nc1-c1ccccc1)Nc1ccccc1-2 ZINC000009557278 556298053 /nfs/dbraw/zinc/29/80/53/556298053.db2.gz UJJSJJBYNKZDDP-NRFANRHFSA-N 0 0 430.537 5.324 50 0 IKAARN O=C1C[C@@H](c2cc(Br)ccc2F)c2cc(Br)c3ccccc3c2N1 ZINC000009559792 556298213 /nfs/dbraw/zinc/29/82/13/556298213.db2.gz GXLIDDHKDVAJTF-ZDUSSCGKSA-N 0 0 449.117 5.978 50 0 IKAARN O=C1C[C@H](c2cc(Br)ccc2F)c2cc(Br)c3ccccc3c2N1 ZINC000009559791 556298240 /nfs/dbraw/zinc/29/82/40/556298240.db2.gz GXLIDDHKDVAJTF-CYBMUJFWSA-N 0 0 449.117 5.978 50 0 IKAARN CC(C)CCSc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 ZINC000013748907 556298459 /nfs/dbraw/zinc/29/84/59/556298459.db2.gz FRVAEZKJQBEKEH-UHFFFAOYSA-N 0 0 435.412 6.449 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1CCC1CCCCC1)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000009559835 556298556 /nfs/dbraw/zinc/29/85/56/556298556.db2.gz RTIUTDLCBMGWSF-NRFANRHFSA-N 0 0 449.635 6.915 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1CCC1CCCCC1)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000009559836 556298581 /nfs/dbraw/zinc/29/85/81/556298581.db2.gz RTIUTDLCBMGWSF-OAQYLSRUSA-N 0 0 449.635 6.915 50 0 IKAARN CCCCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)cs/c1=N\c1ccccc1 ZINC000013749656 556298713 /nfs/dbraw/zinc/29/87/13/556298713.db2.gz HBDXWJVMCWVIPD-VHXPQNKSSA-N 0 0 441.622 5.034 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013749283 556298796 /nfs/dbraw/zinc/29/87/96/556298796.db2.gz PAAZRULKKFCYNS-XLIONFOSSA-N 0 0 445.769 6.406 50 0 IKAARN COCCCNc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000013749271 556298812 /nfs/dbraw/zinc/29/88/12/556298812.db2.gz PRRQLOMOPALWLJ-UHFFFAOYSA-N 0 0 436.606 5.566 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)c(C)c2)CC1=O ZINC000013751500 556299435 /nfs/dbraw/zinc/29/94/35/556299435.db2.gz XZAGRGAUAFIRCK-OAQYLSRUSA-N 0 0 425.532 5.231 50 0 IKAARN Clc1ccccc1-c1nnc([C@@H](Nc2ccc(Br)cc2)c2ccccc2)o1 ZINC000009561395 556299514 /nfs/dbraw/zinc/29/95/14/556299514.db2.gz QHTOMWNWFQSYDY-IBGZPJMESA-N 0 0 440.728 6.354 50 0 IKAARN COc1ccccc1N[C@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl ZINC000009561423 556299818 /nfs/dbraw/zinc/29/98/18/556299818.db2.gz AXTAHGYFRUVONW-FQEVSTJZSA-N 0 0 427.838 5.878 50 0 IKAARN C[C@@H](c1nnc(SCCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000032739567 556300072 /nfs/dbraw/zinc/30/00/72/556300072.db2.gz AWYYOAOLAFTSMJ-HNNXBMFYSA-N 0 0 434.968 5.244 50 0 IKAARN CC(C)OC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccc(Br)cc21 ZINC000013756823 556300788 /nfs/dbraw/zinc/30/07/88/556300788.db2.gz RERJQWRGHNQBHL-UHFFFAOYSA-N 0 0 428.370 6.030 50 0 IKAARN Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)c2c1 ZINC000009581437 556300810 /nfs/dbraw/zinc/30/08/10/556300810.db2.gz JGMIIIJHKZCVBY-UHFFFAOYSA-N 0 0 442.518 7.670 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013757482 556301088 /nfs/dbraw/zinc/30/10/88/556301088.db2.gz IZRGMSVRVHAMNO-DSNGMDLFSA-N 0 0 438.458 5.030 50 0 IKAARN CCCCCSc1nnc2c(n1)OC1(CCCC1)Nc1ccc(Br)cc1-2 ZINC000009590960 556301172 /nfs/dbraw/zinc/30/11/72/556301172.db2.gz BUMOBWHIVTXRIT-UHFFFAOYSA-N 0 0 435.391 5.658 50 0 biogenic IKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 ZINC000013759224 556301559 /nfs/dbraw/zinc/30/15/59/556301559.db2.gz HEMKZVZEOYHARJ-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccc(Cl)cc4)c3n2)cc1OC ZINC000009595186 556301707 /nfs/dbraw/zinc/30/17/07/556301707.db2.gz POAWBQGXXWFKHD-UHFFFAOYSA-N 0 0 433.817 5.753 50 0 IKAARN CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cc2ccccc2o1 ZINC000009595199 556301765 /nfs/dbraw/zinc/30/17/65/556301765.db2.gz AFDZRLQAXJJADX-ZDUSSCGKSA-N 0 0 442.491 5.670 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c(F)c1F ZINC000009594767 556301770 /nfs/dbraw/zinc/30/17/70/556301770.db2.gz RTWNSSUGOPMAJA-UHFFFAOYSA-N 0 0 431.345 5.016 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1OC ZINC000009594887 556301844 /nfs/dbraw/zinc/30/18/44/556301844.db2.gz XHXCOLJANHJKTM-UHFFFAOYSA-N 0 0 427.426 5.740 50 0 IKAARN Brc1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000013763822 556301874 /nfs/dbraw/zinc/30/18/74/556301874.db2.gz GWRREDGVDCGVBQ-UHFFFAOYSA-N 0 0 425.329 7.326 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000009597947 556301999 /nfs/dbraw/zinc/30/19/99/556301999.db2.gz WTAKMPLYJOLDIH-KRWDZBQOSA-N 0 0 440.975 5.593 50 0 IKAARN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2C1 ZINC000009597944 556302022 /nfs/dbraw/zinc/30/20/22/556302022.db2.gz PORSHRGDSAHHFY-AWEZNQCLSA-N 0 0 447.366 5.630 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000009597897 556302104 /nfs/dbraw/zinc/30/21/04/556302104.db2.gz ONCSRMUHBMHOEM-UHFFFAOYSA-N 0 0 431.254 5.285 50 0 IKAARN O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000009600619 556302129 /nfs/dbraw/zinc/30/21/29/556302129.db2.gz YBTOWTIVRIMSTQ-UHFFFAOYSA-N 0 0 444.284 6.195 50 0 IKAARN COc1cc(Br)c(CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1OC ZINC000032740834 556302121 /nfs/dbraw/zinc/30/21/21/556302121.db2.gz PHLIIOJBQYJBRV-CQSZACIVSA-N 0 0 428.326 5.039 50 0 IKAARN Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cn1 ZINC000009597896 556302184 /nfs/dbraw/zinc/30/21/84/556302184.db2.gz GDGMBWJZDXVQKK-UHFFFAOYSA-N 0 0 427.291 5.454 50 0 IKAARN COc1cc(Br)c(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000032740833 556302181 /nfs/dbraw/zinc/30/21/81/556302181.db2.gz PHLIIOJBQYJBRV-AWEZNQCLSA-N 0 0 428.326 5.039 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2c2ccccc2)cc1OC ZINC000013764690 556302481 /nfs/dbraw/zinc/30/24/81/556302481.db2.gz NQZXREUHGYBSJY-HHHXNRCGSA-N 0 0 434.539 6.727 50 0 IKAARN CCCOc1ccc(NC(=O)c2ccccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013764856 556302494 /nfs/dbraw/zinc/30/24/94/556302494.db2.gz NDMJZAOFJFUKTN-UHFFFAOYSA-N 0 0 433.548 5.850 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccc(C)n2)Nc2ccccc2-3)cc1 ZINC000009601881 556302716 /nfs/dbraw/zinc/30/27/16/556302716.db2.gz BBYOWEBGISTMLH-QFIPXVFZSA-N 0 0 427.533 5.346 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000032741247 556302804 /nfs/dbraw/zinc/30/28/04/556302804.db2.gz YEJTYQZPEXWBFE-UHFFFAOYSA-N 0 0 447.970 5.034 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@H](c2ccncc2)Nc2ccccc2-3)cc1 ZINC000009601908 556302795 /nfs/dbraw/zinc/30/27/95/556302795.db2.gz KWHFOKOPXQNIRK-HXUWFJFHSA-N 0 0 433.924 5.382 50 0 IKAARN CCCN(C(=O)c1ccccc1OCC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009606886 556303090 /nfs/dbraw/zinc/30/30/90/556303090.db2.gz MTXFBPMSNUIKNY-UHFFFAOYSA-N 0 0 448.632 7.313 50 0 IKAARN Cc1cc(F)ccc1N[C@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl ZINC000009606706 556303111 /nfs/dbraw/zinc/30/31/11/556303111.db2.gz SUDSFXUWRKGRJF-FQEVSTJZSA-N 0 0 429.829 6.317 50 0 IKAARN Cc1cc(F)ccc1N[C@@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl ZINC000009606710 556303121 /nfs/dbraw/zinc/30/31/21/556303121.db2.gz SUDSFXUWRKGRJF-HXUWFJFHSA-N 0 0 429.829 6.317 50 0 IKAARN CCc1ccc(NC(=O)N(CC)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000009607137 556303267 /nfs/dbraw/zinc/30/32/67/556303267.db2.gz DPJQAUJOMADDEE-UHFFFAOYSA-N 0 0 433.621 7.479 50 0 IKAARN CCCN(C(=O)Nc1ccc(CC)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607166 556303290 /nfs/dbraw/zinc/30/32/90/556303290.db2.gz HEAFOOIMBKFEPT-UHFFFAOYSA-N 0 0 447.648 7.869 50 0 IKAARN CCCN(C(=O)Nc1cccc(OC)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607000 556303323 /nfs/dbraw/zinc/30/33/23/556303323.db2.gz FYQKXCAQWNFLNO-UHFFFAOYSA-N 0 0 449.620 7.315 50 0 IKAARN Cc1cccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1C ZINC000009607342 556303360 /nfs/dbraw/zinc/30/33/60/556303360.db2.gz MKLCNYJLYMHZKW-NRFANRHFSA-N 0 0 432.911 5.918 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000009607392 556303376 /nfs/dbraw/zinc/30/33/76/556303376.db2.gz JKNYSLNVOFGIFN-LJQANCHMSA-N 0 0 439.302 5.955 50 0 IKAARN S=c1n(CN2CC[C@H](c3ccccc3)C2)nc(COc2ccccc2)n1-c1ccccc1 ZINC000009614324 556303693 /nfs/dbraw/zinc/30/36/93/556303693.db2.gz KXMAZWIKBGZDDL-QFIPXVFZSA-N 0 0 442.588 5.429 50 0 IKAARN COc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000009607481 556303712 /nfs/dbraw/zinc/30/37/12/556303712.db2.gz ZCQNQKRQYCWYAF-FQEVSTJZSA-N 0 0 434.883 5.310 50 0 IKAARN O=C(CSCc1ccccc1)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009614384 556303978 /nfs/dbraw/zinc/30/39/78/556303978.db2.gz AIEQLIYICIEHOZ-UHFFFAOYSA-N 0 0 434.605 5.713 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(CCc3ccccn3)c2)cc(OCC)c1OCC ZINC000009614369 556304031 /nfs/dbraw/zinc/30/40/31/556304031.db2.gz CDDJILQSWCPVFT-UHFFFAOYSA-N 0 0 434.536 5.315 50 0 IKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009667623 556304885 /nfs/dbraw/zinc/30/48/85/556304885.db2.gz CSAYOWUEBNTAAG-UHFFFAOYSA-N 0 0 429.901 6.408 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3Cl)=NN21 ZINC000013770924 556305145 /nfs/dbraw/zinc/30/51/45/556305145.db2.gz ZYSNQWMPQUZZHS-NFBKMPQASA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc(-n2ncc3c2nc(-c2ccco2)n(CCc2ccc(Cl)cc2)c3=O)cc1 ZINC000009678230 556305754 /nfs/dbraw/zinc/30/57/54/556305754.db2.gz QPWPITWYUYHUPW-UHFFFAOYSA-N 0 0 430.895 5.047 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2cccs2)cc1 ZINC000009679594 556306193 /nfs/dbraw/zinc/30/61/93/556306193.db2.gz BCWAAQWPHPENFX-HXUWFJFHSA-N 0 0 435.530 5.126 50 0 IKAARN Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccco3)C3=CCCCC3)c(Cl)cc12 ZINC000032736568 556306683 /nfs/dbraw/zinc/30/66/83/556306683.db2.gz VVPOYQMYDFCIAX-UHFFFAOYSA-N 0 0 427.884 5.213 50 0 IKAARN Cc1nn2c(ncc3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000009698370 556306730 /nfs/dbraw/zinc/30/67/30/556306730.db2.gz VDTQQMWDFUBKIJ-HXUWFJFHSA-N 0 0 429.951 6.394 50 0 IKAARN Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013776770 556307561 /nfs/dbraw/zinc/30/75/61/556307561.db2.gz DOKAEKGYMXCJKA-WMZHIEFXSA-N 0 0 449.304 5.420 50 0 IKAARN CCCCCC[C@H](C)Oc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)nc2)cc1 ZINC000004321148 556308276 /nfs/dbraw/zinc/30/82/76/556308276.db2.gz FQMFCNMVBVQPJN-DEOSSOPVSA-N 0 0 429.648 8.886 50 0 IKAARN CCCCCC[C@@H](C)Oc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)nc2)cc1 ZINC000004321147 556308291 /nfs/dbraw/zinc/30/82/91/556308291.db2.gz FQMFCNMVBVQPJN-XMMPIXPASA-N 0 0 429.648 8.886 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000009763626 556308666 /nfs/dbraw/zinc/30/86/66/556308666.db2.gz GMMKWRCSTYNVQN-UHFFFAOYSA-N 0 0 438.955 6.026 50 0 IKAARN CCOC(=O)c1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CCCC2 ZINC000009762534 556308702 /nfs/dbraw/zinc/30/87/02/556308702.db2.gz HKADILIRDLWJJO-UHFFFAOYSA-N 0 0 433.573 5.964 50 0 IKAARN CC1=CC[C@H]([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)[C@H](C)C1 ZINC000009805225 556308961 /nfs/dbraw/zinc/30/89/61/556308961.db2.gz MNRDRZYDKZQMKN-HFJQGTKSSA-N 0 0 430.577 5.954 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000009804766 556308967 /nfs/dbraw/zinc/30/89/67/556308967.db2.gz WODQXXLVCVXCEC-GOSISDBHSA-N 0 0 444.354 5.187 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000013786101 556309124 /nfs/dbraw/zinc/30/91/24/556309124.db2.gz MPRXCXOBOBBYHI-XNMGPUDCSA-N 0 0 428.532 6.070 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000009822793 556309339 /nfs/dbraw/zinc/30/93/39/556309339.db2.gz UUXUUIKFXCMCFE-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)o2)cc1 ZINC000009805769 556309371 /nfs/dbraw/zinc/30/93/71/556309371.db2.gz ZLJZHSXCEQKRCL-UHFFFAOYSA-N 0 0 438.734 5.192 50 0 IKAARN CC[C@@H](CO)Nc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000013787462 556309491 /nfs/dbraw/zinc/30/94/91/556309491.db2.gz KHWVHJHKHRHZQY-AWEZNQCLSA-N 0 0 436.606 5.300 50 0 IKAARN c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 ZINC000013787054 556309546 /nfs/dbraw/zinc/30/95/46/556309546.db2.gz PLAGTODDOYBOMK-JOCHJYFZSA-N 0 0 427.467 5.625 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000013799340 556309856 /nfs/dbraw/zinc/30/98/56/556309856.db2.gz JCOSWLKWFVQNSZ-XNMGPUDCSA-N 0 0 446.978 7.070 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2cc(C)nc3ccccc32)c1C ZINC000009830240 556310030 /nfs/dbraw/zinc/31/00/30/556310030.db2.gz RKDDYAFYIVRSTP-UHFFFAOYSA-N 0 0 441.531 5.444 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2cccc3ccccc32)cc1 ZINC000013804138 556310788 /nfs/dbraw/zinc/31/07/88/556310788.db2.gz BDRGHXLMIZXACS-UHFFFAOYSA-N 0 0 425.517 5.008 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000013810026 556311502 /nfs/dbraw/zinc/31/15/02/556311502.db2.gz PNKZDRRWOMOFFK-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl ZINC000013809919 556311611 /nfs/dbraw/zinc/31/16/11/556311611.db2.gz NJMCMNTUSXKUOS-QINSGFPZSA-N 0 0 434.282 5.185 50 0 IKAARN CCCn1nc(NC(=O)c2ccccc2Br)c2cc3cc(OC)ccc3nc21 ZINC000013811189 556312603 /nfs/dbraw/zinc/31/26/03/556312603.db2.gz HTSKKFBUVYZWKJ-UHFFFAOYSA-N 0 0 439.313 5.018 50 0 IKAARN Cc1c(NC(=O)c2ccccc2Br)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000009846201 556313066 /nfs/dbraw/zinc/31/30/66/556313066.db2.gz WFJNSROTQQPWBB-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000009846227 556313092 /nfs/dbraw/zinc/31/30/92/556313092.db2.gz AOKSGJMZCVJDBL-UHFFFAOYSA-N 0 0 431.586 6.214 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(Cl)c1 ZINC000009846204 556313231 /nfs/dbraw/zinc/31/32/31/556313231.db2.gz CCOGJUGIPYRFRL-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000032753129 556313369 /nfs/dbraw/zinc/31/33/69/556313369.db2.gz ZVBPMGKPHJRNQJ-UHFFFAOYSA-N 0 0 431.517 5.159 50 0 IKAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000009846533 556313533 /nfs/dbraw/zinc/31/35/33/556313533.db2.gz MLEGCRXYRUQWQE-QHCPKHFHSA-N 0 0 433.552 5.056 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000009892062 556315278 /nfs/dbraw/zinc/31/52/78/556315278.db2.gz LUQHQUAPXZCPSE-UHFFFAOYSA-N 0 0 444.506 6.699 50 0 IKAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000009892191 556315345 /nfs/dbraw/zinc/31/53/45/556315345.db2.gz PVUMBEJDGKGWKM-UHFFFAOYSA-N 0 0 435.955 5.050 50 0 IKAARN COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1OC ZINC000009908145 556316282 /nfs/dbraw/zinc/31/62/82/556316282.db2.gz DEQPGZMPKAYNNJ-UHFFFAOYSA-N 0 0 445.544 5.287 50 0 IKAARN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(-c2nc3ncccc3o2)c1O ZINC000013828375 556316342 /nfs/dbraw/zinc/31/63/42/556316342.db2.gz ZCFCKSKGEFHOPY-UHFFFAOYSA-N 0 0 445.862 6.070 50 0 IKAARN Cc1ccccc1OCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000013828238 556316347 /nfs/dbraw/zinc/31/63/47/556316347.db2.gz LUJVJZSRLLHQGF-UHFFFAOYSA-N 0 0 433.596 5.443 50 0 IKAARN CCc1ccc(OCCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000013828277 556316350 /nfs/dbraw/zinc/31/63/50/556316350.db2.gz VIPNPUIOSIHLDH-UHFFFAOYSA-N 0 0 447.623 5.697 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000009933406 556316943 /nfs/dbraw/zinc/31/69/43/556316943.db2.gz LIEGPKKYBZCHOM-UHFFFAOYSA-N 0 0 432.243 6.177 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000009933411 556317005 /nfs/dbraw/zinc/31/70/05/556317005.db2.gz NVGBLOMBGOPVKV-UHFFFAOYSA-N 0 0 438.272 6.239 50 0 IKAARN O=C(NCCc1nc2ccccc2n1CCOc1cccc2ccccc21)C1CCCCC1 ZINC000013831581 556316929 /nfs/dbraw/zinc/31/69/29/556316929.db2.gz VISZTLJRKYPLPE-UHFFFAOYSA-N 0 0 441.575 5.508 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1Cl ZINC000013839179 556317459 /nfs/dbraw/zinc/31/74/59/556317459.db2.gz NXFDOTNKVIBJFD-DEOSSOPVSA-N 0 0 429.907 5.314 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 ZINC000013839319 556317549 /nfs/dbraw/zinc/31/75/49/556317549.db2.gz HWXZQDFHVOBCBP-HNNXBMFYSA-N 0 0 449.348 7.023 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000009934695 556318233 /nfs/dbraw/zinc/31/82/33/556318233.db2.gz LGCPAKWPGOHTKR-UHFFFAOYSA-N 0 0 442.655 7.042 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3O)oc2c(C)c1 ZINC000009934573 556318252 /nfs/dbraw/zinc/31/82/52/556318252.db2.gz ZXUIUIFQHBKALB-UHFFFAOYSA-N 0 0 445.544 5.561 50 0 IKAARN O=C(Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl)c1cccs1 ZINC000013843370 556318262 /nfs/dbraw/zinc/31/82/62/556318262.db2.gz DEGIPYOMHKYIKS-UHFFFAOYSA-N 0 0 446.959 6.424 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(Cl)cc4)c3n2)cc1OC ZINC000009934559 556318334 /nfs/dbraw/zinc/31/83/34/556318334.db2.gz XIMBPEYKADSYHT-UHFFFAOYSA-N 0 0 447.844 6.085 50 0 IKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c3ccccc3[nH]c2-c2ccc(F)cc2)o1 ZINC000013844903 556318798 /nfs/dbraw/zinc/31/87/98/556318798.db2.gz FDAMQIBNKRQROZ-HHHXNRCGSA-N 0 0 436.486 6.621 50 0 IKAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000009968788 556318952 /nfs/dbraw/zinc/31/89/52/556318952.db2.gz MIEZCHLPGAAJAO-QHCPKHFHSA-N 0 0 426.545 5.607 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1Cl ZINC000009944294 556318971 /nfs/dbraw/zinc/31/89/71/556318971.db2.gz IPQDCVODCRUOJZ-UHFFFAOYSA-N 0 0 443.359 5.767 50 0 IKAARN CCc1ccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=S)cc1 ZINC000009972893 556319759 /nfs/dbraw/zinc/31/97/59/556319759.db2.gz ARBHSBYZRDRHTI-NOZRDPDXSA-N 0 0 437.568 5.378 50 0 IKAARN CCc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)cc1 ZINC000009972894 556319818 /nfs/dbraw/zinc/31/98/18/556319818.db2.gz ARBHSBYZRDRHTI-UKILVPOCSA-N 0 0 437.568 5.378 50 0 IKAARN CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccc(OC)cc1 ZINC000013857666 556321750 /nfs/dbraw/zinc/32/17/50/556321750.db2.gz QYXZBIMOOPZXJD-VWLOTQADSA-N 0 0 440.499 5.099 50 0 IKAARN COc1ccccc1-c1noc(CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000032753241 556322207 /nfs/dbraw/zinc/32/22/07/556322207.db2.gz SQJXKYHXYZYAMH-UHFFFAOYSA-N 0 0 434.883 5.263 50 0 IKAARN CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)c1ccccc1C ZINC000032753825 556323096 /nfs/dbraw/zinc/32/30/96/556323096.db2.gz PZMUVKMQJIBPAQ-UHFFFAOYSA-N 0 0 447.542 5.517 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000010039052 556323434 /nfs/dbraw/zinc/32/34/34/556323434.db2.gz ZDVLQPVXNZIZQP-UHFFFAOYSA-N 0 0 441.270 6.091 50 0 IKAARN Cc1ccc2[nH]c(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000010059027 556323763 /nfs/dbraw/zinc/32/37/63/556323763.db2.gz AKTMFAZERPUZAX-UHFFFAOYSA-N 0 0 433.377 5.640 50 0 IKAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000010060190 556324323 /nfs/dbraw/zinc/32/43/23/556324323.db2.gz SHPJQBCCFWJVJY-XMMPIXPASA-N 0 0 425.488 5.077 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000010060176 556324442 /nfs/dbraw/zinc/32/44/42/556324442.db2.gz GUOOLVMZYUMEED-JOCHJYFZSA-N 0 0 448.448 5.983 50 0 IKAARN CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000013880419 556325673 /nfs/dbraw/zinc/32/56/73/556325673.db2.gz OCXDSLGTHNNQHX-UHFFFAOYSA-N 0 0 433.002 5.116 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1cccc(Br)c1)C[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000013880444 556325734 /nfs/dbraw/zinc/32/57/34/556325734.db2.gz XFQABZFFVGPTQF-LSDHHAIUSA-N 0 0 439.144 5.076 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl ZINC000013881475 556326341 /nfs/dbraw/zinc/32/63/41/556326341.db2.gz UNZRLHXTJIVERM-UHFFFAOYSA-N 0 0 437.270 5.538 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000010128842 556326634 /nfs/dbraw/zinc/32/66/34/556326634.db2.gz NKHWWCYZFYLITR-UHFFFAOYSA-N 0 0 433.891 5.910 50 0 IKAARN O=C(Nc1ccccc1SCc1ccsc1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000032765318 556332892 /nfs/dbraw/zinc/33/28/92/556332892.db2.gz RYKWGCZADNLLIQ-UHFFFAOYSA-N 0 0 445.013 5.339 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1nnn(CCC)n1)c1ccc(F)cc1 ZINC000004481558 556333790 /nfs/dbraw/zinc/33/37/90/556333790.db2.gz KXKCWHKYWCDTKM-SFHVURJKSA-N 0 0 427.461 5.159 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)cc1 ZINC000013923835 556333924 /nfs/dbraw/zinc/33/39/24/556333924.db2.gz GXSPKJQRRLKBNG-UHFFFAOYSA-N 0 0 436.581 5.580 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1Cl ZINC000013926233 556333987 /nfs/dbraw/zinc/33/39/87/556333987.db2.gz BGWBRPIFIZGXQR-JAIQZWGSSA-N 0 0 437.854 5.411 50 0 IKAARN COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)ccc1OCc1csc(C)n1 ZINC000032769201 556334167 /nfs/dbraw/zinc/33/41/67/556334167.db2.gz JGQCRIWPWYVZEZ-OAHLLOKOSA-N 0 0 440.590 5.570 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000013936243 556335916 /nfs/dbraw/zinc/33/59/16/556335916.db2.gz MEHIKUFPJWDDJY-UHFFFAOYSA-N 0 0 445.997 5.567 50 0 IKAARN CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000013936087 556336086 /nfs/dbraw/zinc/33/60/86/556336086.db2.gz JTQKSPVKDYGXRI-UHFFFAOYSA-N 0 0 445.997 5.512 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000013936287 556336276 /nfs/dbraw/zinc/33/62/76/556336276.db2.gz LJWIIGZGCRJDMO-UHFFFAOYSA-N 0 0 439.606 5.530 50 0 IKAARN CCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000013936261 556336332 /nfs/dbraw/zinc/33/63/32/556336332.db2.gz NUZSKGMIHUKJBB-UHFFFAOYSA-N 0 0 441.578 5.003 50 0 IKAARN O=C1C[C@H](c2cccc(Oc3ccccc3)c2)c2cc(Br)c3ccccc3c2N1 ZINC000013940118 556337557 /nfs/dbraw/zinc/33/75/57/556337557.db2.gz SAKXHONWTLSIGD-OAQYLSRUSA-N 0 0 444.328 6.869 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c(C)c1 ZINC000013940056 556337569 /nfs/dbraw/zinc/33/75/69/556337569.db2.gz AKMUMTKJAMGIMU-GDLZYMKVSA-N 0 0 441.571 5.608 50 0 IKAARN O=c1c2ccccc2nc(SCc2nc3ccccc3o2)n1Cc1ccccc1Cl ZINC000032560261 556337816 /nfs/dbraw/zinc/33/78/16/556337816.db2.gz WUXVMTMOBMDAHP-UHFFFAOYSA-N 0 0 433.920 5.532 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)CC(C)C)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000013940543 556337976 /nfs/dbraw/zinc/33/79/76/556337976.db2.gz UTDJRPYAIZCFPS-CQSZACIVSA-N 0 0 438.659 5.325 50 0 IKAARN Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)c1 ZINC000013940533 556338002 /nfs/dbraw/zinc/33/80/02/556338002.db2.gz UFYHGXUISKPFGI-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)cc1 ZINC000013941678 556338655 /nfs/dbraw/zinc/33/86/55/556338655.db2.gz UCKNWUPAJHCBRG-UHFFFAOYSA-N 0 0 429.545 5.610 50 0 IKAARN CCOc1ccccc1-c1noc(CSc2nnc(-c3ccc4c(c3)CCCC4)n2C)n1 ZINC000013941891 556338859 /nfs/dbraw/zinc/33/88/59/556338859.db2.gz ISGZMETVLSLOPK-UHFFFAOYSA-N 0 0 447.564 5.102 50 0 IKAARN CCCCOCCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000013942341 556339302 /nfs/dbraw/zinc/33/93/02/556339302.db2.gz PNJUMUKZMQSYGA-MUUNZHRXSA-N 0 0 438.571 6.587 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000013942133 556339378 /nfs/dbraw/zinc/33/93/78/556339378.db2.gz WFLLQEOVABWJEG-UHFFFAOYSA-N 0 0 435.911 5.062 50 0 IKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1-c1ccc(F)cc1 ZINC000013942471 556339690 /nfs/dbraw/zinc/33/96/90/556339690.db2.gz VDXSXCLKNDTBPO-NFQMXDRXSA-N 0 0 440.518 5.709 50 0 IKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1-c1ccc(F)cc1 ZINC000013942467 556339710 /nfs/dbraw/zinc/33/97/10/556339710.db2.gz VDXSXCLKNDTBPO-CCLHPLFOSA-N 0 0 440.518 5.709 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000013942952 556340432 /nfs/dbraw/zinc/34/04/32/556340432.db2.gz ABBJFGTYJMYCSF-MRXNPFEDSA-N 0 0 429.582 5.266 50 0 IKAARN COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@H]2c2cn(C)c3ccccc23)cc1OC ZINC000013945661 556342700 /nfs/dbraw/zinc/34/27/00/556342700.db2.gz XPURUEBBZVCKKD-SANMLTNESA-N 0 0 430.548 5.192 50 0 IKAARN CCOc1cc(CNCc2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000013946002 556342995 /nfs/dbraw/zinc/34/29/95/556342995.db2.gz KGEDTMUOHJXNFL-UHFFFAOYSA-N 0 0 427.342 5.112 50 0 IKAARN O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)Nc1ccc(Cl)cc1 ZINC000013945803 556343002 /nfs/dbraw/zinc/34/30/02/556343002.db2.gz OURBYRVWXHQSSE-DEOSSOPVSA-N 0 0 429.907 5.395 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(Br)c1 ZINC000013946060 556343051 /nfs/dbraw/zinc/34/30/51/556343051.db2.gz CODNRHJEUUTOME-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)oc2cc1C ZINC000013946114 556343375 /nfs/dbraw/zinc/34/33/75/556343375.db2.gz ZRNOKNIDJZNWMV-UHFFFAOYSA-N 0 0 432.523 6.882 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)oc2c1 ZINC000013946085 556343429 /nfs/dbraw/zinc/34/34/29/556343429.db2.gz XNLYDRTWXWWWSN-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Br)c4)cc3n2)cc1 ZINC000013946126 556343705 /nfs/dbraw/zinc/34/37/05/556343705.db2.gz MVLDLCFSYGQOBY-UHFFFAOYSA-N 0 0 435.325 5.306 50 0 IKAARN CC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000013946140 556343715 /nfs/dbraw/zinc/34/37/15/556343715.db2.gz HRQWPAZJEGDTRR-ZRDIBKRKSA-N 0 0 438.936 5.637 50 0 IKAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000013955065 556344498 /nfs/dbraw/zinc/34/44/98/556344498.db2.gz VFLUSTQOMUBISC-INIZCTEOSA-N 0 0 433.895 5.771 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 ZINC000013954887 556344538 /nfs/dbraw/zinc/34/45/38/556344538.db2.gz WOBOKOFYAJJWDI-INIZCTEOSA-N 0 0 434.923 6.679 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013955748 556344947 /nfs/dbraw/zinc/34/49/47/556344947.db2.gz NVGWFWDGRSKZOW-UHFFFAOYSA-N 0 0 430.529 6.138 50 0 IKAARN CCc1nnc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)s1 ZINC000013957650 556345640 /nfs/dbraw/zinc/34/56/40/556345640.db2.gz POTBXDGNXANNAR-UHFFFAOYSA-N 0 0 439.338 5.331 50 0 IKAARN O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000013958007 556345667 /nfs/dbraw/zinc/34/56/67/556345667.db2.gz SZRLTQRAJOVOLT-UHFFFAOYSA-N 0 0 435.499 5.372 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@@H](OCc4cccnc4)C3)c(C)o2)c2ccccc12 ZINC000011667783 556346455 /nfs/dbraw/zinc/34/64/55/556346455.db2.gz KFVFMMBKSCDKAB-OAQYLSRUSA-N 0 0 443.547 5.388 50 0 IKAARN CC[C@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C)C12CC3CC(CC(C3)C1)C2 ZINC000013959877 556346725 /nfs/dbraw/zinc/34/67/25/556346725.db2.gz KSTOIKQPUQJEIZ-OCABNYQQSA-N 0 0 431.930 5.365 50 0 IKAARN CCCCCCc1cc2c(cc1OCC(=O)c1ccccc1)oc(=O)cc2-c1ccccc1 ZINC000011692383 556346814 /nfs/dbraw/zinc/34/68/14/556346814.db2.gz VTERDMJGHXEUDC-UHFFFAOYSA-N 0 0 440.539 6.845 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000011691392 556346903 /nfs/dbraw/zinc/34/69/03/556346903.db2.gz LMXUAHZOUWOSAE-JCMHNJIXSA-N 0 0 425.875 5.537 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccc(Cl)cc1)oc(=O)cc2-c1ccccc1 ZINC000011692380 556346971 /nfs/dbraw/zinc/34/69/71/556346971.db2.gz MRUXFCJQOWSHCT-UHFFFAOYSA-N 0 0 446.974 7.815 50 0 IKAARN Cc1ccc(Cn2cc(NC(=O)c3ccn(COc4ccc(C(C)(C)C)cc4)n3)cn2)cc1 ZINC000013960302 556347609 /nfs/dbraw/zinc/34/76/09/556347609.db2.gz XLZCVMFEUAQIQC-UHFFFAOYSA-N 0 0 443.551 5.023 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000013960738 556348299 /nfs/dbraw/zinc/34/82/99/556348299.db2.gz MZGKBKVTRROPEY-UHFFFAOYSA-N 0 0 448.180 8.128 50 0 IKAARN Cc1ccc(Cn2ccc(NC(=S)N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000013960868 556348327 /nfs/dbraw/zinc/34/83/27/556348327.db2.gz LONWKIOLUGAXGK-UHFFFAOYSA-N 0 0 426.589 5.639 50 0 IKAARN Fc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000013960804 556348337 /nfs/dbraw/zinc/34/83/37/556348337.db2.gz DZCWJJSWSWQUFQ-UHFFFAOYSA-N 0 0 433.260 6.990 50 0 IKAARN COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3-c3ccc(F)cc3)n2)cc1 ZINC000013960799 556348362 /nfs/dbraw/zinc/34/83/62/556348362.db2.gz DBZJDFBECIKEFO-UHFFFAOYSA-N 0 0 445.494 6.617 50 0 IKAARN Cc1nn(CCCn2c(=O)c3ccccc3nc2SCc2ccccc2F)cc1Cl ZINC000013960867 556348379 /nfs/dbraw/zinc/34/83/79/556348379.db2.gz OWFKFPRNXZXCGF-UHFFFAOYSA-N 0 0 442.947 5.077 50 0 IKAARN Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12 ZINC000013960949 556348664 /nfs/dbraw/zinc/34/86/64/556348664.db2.gz XOYXGMIZDMYFLC-UHFFFAOYSA-N 0 0 442.853 5.451 50 0 IKAARN CCn1ncc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)C)n2)c1C ZINC000013961285 556348928 /nfs/dbraw/zinc/34/89/28/556348928.db2.gz WOOIZBYQOZOVDM-UHFFFAOYSA-N 0 0 449.584 5.099 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]3c1ccccc1C ZINC000013961453 556348961 /nfs/dbraw/zinc/34/89/61/556348961.db2.gz USQACFPSNVSOSG-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c12 ZINC000013961477 556349263 /nfs/dbraw/zinc/34/92/63/556349263.db2.gz UEOMDUUCSWPWHD-UHFFFAOYSA-N 0 0 436.437 5.877 50 0 IKAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000011763745 556349382 /nfs/dbraw/zinc/34/93/82/556349382.db2.gz XKFQMNVSRSDITJ-XMMPIXPASA-N 0 0 426.495 5.032 50 0 IKAARN CC(=O)N(c1nc(CSc2cc(C)nc(C)n2)cs1)c1c(C)cc(C)cc1Cl ZINC000032782117 556349666 /nfs/dbraw/zinc/34/96/66/556349666.db2.gz BERVBTWROGBORU-UHFFFAOYSA-N 0 0 433.002 5.797 50 0 IKAARN CC1(C)C[C@H](NC(=O)c2cccc(Cl)c2)C[C@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC000013969897 556350629 /nfs/dbraw/zinc/35/06/29/556350629.db2.gz NZKUSTGCPFZVKU-RDPSFJRHSA-N 0 0 447.406 5.738 50 0 IKAARN Cc1ccsc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000011773852 556350731 /nfs/dbraw/zinc/35/07/31/556350731.db2.gz QTDAJFSMWHQWGG-FQEVSTJZSA-N 0 0 443.572 5.696 50 0 IKAARN CC1(COc2cccc(CN(C(=O)c3ccccc3C(F)(F)F)C3CCCC3)c2)COC1 ZINC000011784013 556352057 /nfs/dbraw/zinc/35/20/57/556352057.db2.gz JVDRZEJPOIWRIO-UHFFFAOYSA-N 0 0 447.497 5.706 50 0 IKAARN O=C(Cc1cc(Cl)cc2c1OCOC2)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000032779038 556352230 /nfs/dbraw/zinc/35/22/30/556352230.db2.gz JXPXNSYMIBZLLU-JOCHJYFZSA-N 0 0 428.315 5.308 50 0 IKAARN O=C(Nc1nc(SCc2ccccc2)ns1)c1ccccc1COc1ccccc1 ZINC000013987909 556352454 /nfs/dbraw/zinc/35/24/54/556352454.db2.gz PKWZIHFECAMGDL-UHFFFAOYSA-N 0 0 433.558 5.662 50 0 IKAARN Cc1cc(C(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)n1C1CC1 ZINC000032779149 556352525 /nfs/dbraw/zinc/35/25/25/556352525.db2.gz PPTVRODIQITNLP-UHFFFAOYSA-N 0 0 435.471 5.625 50 0 IKAARN Cc1ccc([C@@H](NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000014020111 556356226 /nfs/dbraw/zinc/35/62/26/556356226.db2.gz PJAILHLPMUIHOI-SANMLTNESA-N 0 0 430.935 6.142 50 0 IKAARN Cc1ccc([C@H](NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000014020114 556356256 /nfs/dbraw/zinc/35/62/56/556356256.db2.gz PJAILHLPMUIHOI-AREMUKBSSA-N 0 0 430.935 6.142 50 0 IKAARN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011813181 556356309 /nfs/dbraw/zinc/35/63/09/556356309.db2.gz HWMKBZUTJUTXCY-KRWDZBQOSA-N 0 0 428.410 5.096 50 0 IKAARN COc1ccccc1CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000014020394 556356750 /nfs/dbraw/zinc/35/67/50/556356750.db2.gz XHSQKYMXHLCQDM-UHFFFAOYSA-N 0 0 432.398 5.131 50 0 IKAARN Cc1nc(NCc2ccc3c(c2)OCCO3)sc1-c1ccn(CCc2cccs2)n1 ZINC000011813613 556357286 /nfs/dbraw/zinc/35/72/86/556357286.db2.gz SCYVESUIPWGIOH-UHFFFAOYSA-N 0 0 438.578 5.003 50 0 IKAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000014039137 556358157 /nfs/dbraw/zinc/35/81/57/556358157.db2.gz ZQPQBKBIEPBIFK-UHFFFAOYSA-N 0 0 432.520 5.766 50 0 IKAARN CCCCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000014042432 556358214 /nfs/dbraw/zinc/35/82/14/556358214.db2.gz HHPMCLAWJMTTTJ-UHFFFAOYSA-N 0 0 433.548 6.356 50 0 IKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000014048948 556358548 /nfs/dbraw/zinc/35/85/48/556358548.db2.gz ICBGJRXGKNHQCN-UHFFFAOYSA-N 0 0 447.413 5.593 50 0 IKAARN Cc1ccccc1OCc1nc(SCC(=O)N(c2ccccc2)C2CCCCC2)n[nH]1 ZINC000014066238 556359199 /nfs/dbraw/zinc/35/91/99/556359199.db2.gz OTTQMXABDGXNLB-UHFFFAOYSA-N 0 0 436.581 5.150 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCc1cccs1)Cc1cccs1 ZINC000014068507 556359982 /nfs/dbraw/zinc/35/99/82/556359982.db2.gz KLAAYGGAAUGNKV-UHFFFAOYSA-N 0 0 435.618 5.426 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)c1ccc(F)c(F)c1 ZINC000014069756 556360377 /nfs/dbraw/zinc/36/03/77/556360377.db2.gz ZOWBKARPXLOHCS-AWEZNQCLSA-N 0 0 425.460 5.228 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@@H]2CCCC[C@H]2C)c1 ZINC000014075403 556361434 /nfs/dbraw/zinc/36/14/34/556361434.db2.gz AKOCAXHHNBGBCQ-NVXWUHKLSA-N 0 0 446.041 6.695 50 0 IKAARN CCCN(C[C@H]1CCCO1)C(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000011820084 556361932 /nfs/dbraw/zinc/36/19/32/556361932.db2.gz SFUUJSZUNMRJHY-MRXNPFEDSA-N 0 0 437.487 5.113 50 0 IKAARN CCCN(C[C@@H]1CCCO1)C(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000011820083 556361975 /nfs/dbraw/zinc/36/19/75/556361975.db2.gz SFUUJSZUNMRJHY-INIZCTEOSA-N 0 0 437.487 5.113 50 0 IKAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCCC[C@H]1c1nccn1C ZINC000011820054 556361983 /nfs/dbraw/zinc/36/19/83/556361983.db2.gz LHSVEIZNSRIBEW-DEOSSOPVSA-N 0 0 428.536 5.903 50 0 IKAARN CCOc1cc2c(cc1OCC)CN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC000014077573 556362485 /nfs/dbraw/zinc/36/24/85/556362485.db2.gz NNIVMXGMPNRDLL-UHFFFAOYSA-N 0 0 426.520 5.052 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1)c1ccsc1 ZINC000014084332 556364007 /nfs/dbraw/zinc/36/40/07/556364007.db2.gz MAXAJBACGFJOAJ-UHFFFAOYSA-N 0 0 433.916 6.677 50 0 IKAARN O=C(c1ccccc1SCc1cccs1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014084956 556364256 /nfs/dbraw/zinc/36/42/56/556364256.db2.gz ILIZTRYAJDNKQT-UHFFFAOYSA-N 0 0 449.601 5.161 50 0 IKAARN Cn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccccc1F ZINC000014093074 556365793 /nfs/dbraw/zinc/36/57/93/556365793.db2.gz GZOAGNIZXWDUSD-HSZRJFAPSA-N 0 0 442.519 5.819 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Cl)o2)cc1 ZINC000014094266 556366245 /nfs/dbraw/zinc/36/62/45/556366245.db2.gz JYQPECWVLUZBEZ-UHFFFAOYSA-N 0 0 430.961 5.275 50 0 IKAARN Cc1nc([C@H](C)NCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c(C)s1 ZINC000011842748 556366257 /nfs/dbraw/zinc/36/62/57/556366257.db2.gz TVCGGJHUWFVWQL-HNNXBMFYSA-N 0 0 438.547 6.050 50 0 IKAARN O=C(CSc1nncn1-c1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000014094475 556366597 /nfs/dbraw/zinc/36/65/97/556366597.db2.gz SQHAMYMYVSROPT-UHFFFAOYSA-N 0 0 443.557 5.275 50 0 IKAARN CCc1cc2c(cc1OCC(=O)c1ccc3ccccc3c1)oc(=O)cc2-c1ccccc1 ZINC000011866641 556368105 /nfs/dbraw/zinc/36/81/05/556368105.db2.gz FRIWMHFHJPXNOS-UHFFFAOYSA-N 0 0 434.491 6.437 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 ZINC000011866547 556368269 /nfs/dbraw/zinc/36/82/69/556368269.db2.gz WBJFCCZPHRGGGG-RUZDIDTESA-N 0 0 430.887 5.938 50 0 IKAARN O=c1oc2cc(OCc3cccc(Oc4ccccc4)c3)c(Cl)cc2c2c1CCCC2 ZINC000011866698 556368507 /nfs/dbraw/zinc/36/85/07/556368507.db2.gz XUFJSNLZQGLUON-UHFFFAOYSA-N 0 0 432.903 6.697 50 0 IKAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 ZINC000014110754 556369472 /nfs/dbraw/zinc/36/94/72/556369472.db2.gz WKUWUBQBLTXPAO-UHFFFAOYSA-N 0 0 425.282 5.452 50 0 IKAARN O=C(CSc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1Cl ZINC000011874693 556370552 /nfs/dbraw/zinc/37/05/52/556370552.db2.gz RCKJLHNXKGEFFP-DEOSSOPVSA-N 0 0 433.964 5.483 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2c1 ZINC000014128560 556373514 /nfs/dbraw/zinc/37/35/14/556373514.db2.gz KRSPVOVDDZZPRK-UHFFFAOYSA-N 0 0 449.554 5.701 50 0 IKAARN Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(Cc2ccc(F)cc2)n1 ZINC000011882116 556373660 /nfs/dbraw/zinc/37/36/60/556373660.db2.gz UKQVOJBRGWADLX-UHFFFAOYSA-N 0 0 444.539 5.505 50 0 IKAARN Cn1c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nnc1C(F)(F)F ZINC000014128786 556373802 /nfs/dbraw/zinc/37/38/02/556373802.db2.gz USFATBSLRYVBFF-UHFFFAOYSA-N 0 0 436.846 5.147 50 0 IKAARN CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccoc1C ZINC000014129167 556374264 /nfs/dbraw/zinc/37/42/64/556374264.db2.gz CKYRLBKGUWBYLF-HXUWFJFHSA-N 0 0 436.512 5.478 50 0 IKAARN CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C)c1cccc(OC)c1 ZINC000032800916 556375497 /nfs/dbraw/zinc/37/54/97/556375497.db2.gz DKJICFSHNKEFSG-HNNXBMFYSA-N 0 0 426.538 5.059 50 0 IKAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)Nc1ncc(Cl)cc1Cl ZINC000014138869 556375887 /nfs/dbraw/zinc/37/58/87/556375887.db2.gz COUIQQGWYACRLR-UHFFFAOYSA-N 0 0 447.372 5.791 50 0 IKAARN COc1cc(CN2CC[C@@H](c3cccc(F)c3)Sc3ccccc32)cc(OC)c1O ZINC000011913607 556376147 /nfs/dbraw/zinc/37/61/47/556376147.db2.gz WNUXVIJVRVQAAJ-QFIPXVFZSA-N 0 0 425.525 5.792 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1cccs1 ZINC000014141048 556376583 /nfs/dbraw/zinc/37/65/83/556376583.db2.gz ONQFUTWZBNEZNQ-UHFFFAOYSA-N 0 0 430.529 5.157 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)c(C)c1 ZINC000011934407 556377503 /nfs/dbraw/zinc/37/75/03/556377503.db2.gz DLGZXVNRHUTHAY-HSZRJFAPSA-N 0 0 428.532 5.797 50 0 IKAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccccc1OCc1ccc(F)cc1 ZINC000014161313 556378203 /nfs/dbraw/zinc/37/82/03/556378203.db2.gz GNDUNVVUBAQKNF-UHFFFAOYSA-N 0 0 425.529 5.099 50 0 IKAARN CC[C@@H](NC(=O)CCc1nnc(CCCCc2ccccc2)o1)c1nc2cc(C)ccc2[nH]1 ZINC000011935458 556378325 /nfs/dbraw/zinc/37/83/25/556378325.db2.gz CNBKZKUSOMDCMY-HXUWFJFHSA-N 0 0 445.567 5.020 50 0 IKAARN Cc1cc2c3c(c1)C(C)(C)CC1(CCCCCC1)N3C(=O)[C@@]21Nc2ccccc2C(=O)N1 ZINC000014162473 556379096 /nfs/dbraw/zinc/37/90/96/556379096.db2.gz YENBZWPEFDLKBM-HHHXNRCGSA-N 0 0 429.564 5.124 50 0 IKAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)Nc4ccc(SC)cc4)C3)ccc2c1 ZINC000011944304 556379942 /nfs/dbraw/zinc/37/99/42/556379942.db2.gz UALQBHCZMOSNKP-FQEVSTJZSA-N 0 0 434.561 5.697 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014167667 556380066 /nfs/dbraw/zinc/38/00/66/556380066.db2.gz KSTGJRYZDUEVQW-MRXNPFEDSA-N 0 0 442.610 5.225 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014167670 556380088 /nfs/dbraw/zinc/38/00/88/556380088.db2.gz KSTGJRYZDUEVQW-INIZCTEOSA-N 0 0 442.610 5.225 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CC2=CCCCC2)c1OC ZINC000011949130 556380357 /nfs/dbraw/zinc/38/03/57/556380357.db2.gz YMXWKWSNZLGRGI-SANMLTNESA-N 0 0 430.548 5.550 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000011957864 556381030 /nfs/dbraw/zinc/38/10/30/556381030.db2.gz MPQVXGRTOIOKNG-MRXNPFEDSA-N 0 0 439.943 5.101 50 0 IKAARN Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)c1 ZINC000014181040 556382523 /nfs/dbraw/zinc/38/25/23/556382523.db2.gz IRQPSACELRHMPX-UHFFFAOYSA-N 0 0 446.572 5.754 50 0 IKAARN O=C(CSc1ccc2ccccc2c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000014182600 556382785 /nfs/dbraw/zinc/38/27/85/556382785.db2.gz YRJZNKQCYUWDQR-UHFFFAOYSA-N 0 0 449.963 5.827 50 0 IKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)Nc1ccc(Cl)cn1 ZINC000014184810 556384725 /nfs/dbraw/zinc/38/47/25/556384725.db2.gz NEEZFOATUCOYHA-GHMZBOCLSA-N 0 0 434.974 5.091 50 0 IKAARN Cc1csc(-c2ccc(OCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)cc2)n1 ZINC000014184876 556384751 /nfs/dbraw/zinc/38/47/51/556384751.db2.gz HYVGXSXFICTRTF-QFIPXVFZSA-N 0 0 438.549 5.604 50 0 IKAARN Cc1cccc(-c2nnc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)c1 ZINC000014184865 556384769 /nfs/dbraw/zinc/38/47/69/556384769.db2.gz MATUUYHVXUWRNE-SFHVURJKSA-N 0 0 441.940 5.012 50 0 IKAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N[C@@H]1CCCc2ccccc21 ZINC000012002227 556386058 /nfs/dbraw/zinc/38/60/58/556386058.db2.gz XLLDMVPXGBNFNF-NAKRPHOHSA-N 0 0 426.560 5.005 50 0 IKAARN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000014186427 556386405 /nfs/dbraw/zinc/38/64/05/556386405.db2.gz PLNOGYWJBHYVOL-UHFFFAOYSA-N 0 0 438.767 6.143 50 0 IKAARN CC(C)c1nc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)no1 ZINC000059960663 556386750 /nfs/dbraw/zinc/38/67/50/556386750.db2.gz QQAIHALIRRAGLD-UHFFFAOYSA-N 0 0 429.908 5.526 50 0 IKAARN O=C(c1cc(COc2cccc3cnccc32)on1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000012023188 556386953 /nfs/dbraw/zinc/38/69/53/556386953.db2.gz KBCZVHFXKUDZGE-KRWDZBQOSA-N 0 0 433.895 5.085 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000014190194 556387687 /nfs/dbraw/zinc/38/76/87/556387687.db2.gz ADXHZRYSWIKYGC-UHFFFAOYSA-N 0 0 430.504 5.166 50 0 IKAARN CC(=O)Nc1ccc(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000014201422 556391997 /nfs/dbraw/zinc/39/19/97/556391997.db2.gz SVUWRIKJHKJBRP-NSHDSACASA-N 0 0 427.576 5.525 50 0 IKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@H](OCc2ccccc2)C1 ZINC000012050567 556392162 /nfs/dbraw/zinc/39/21/62/556392162.db2.gz MDFYCPBLXWPZCI-SFHVURJKSA-N 0 0 440.927 5.213 50 0 IKAARN c1ccc(COC2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)cc1 ZINC000012052923 556392676 /nfs/dbraw/zinc/39/26/76/556392676.db2.gz ZZPAEVGFNZQRDD-UHFFFAOYSA-N 0 0 439.559 5.431 50 0 IKAARN FC(F)(F)[C@@H]1CCCN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)C1 ZINC000014206690 556392796 /nfs/dbraw/zinc/39/27/96/556392796.db2.gz WPWMKVFRPUZUEL-GOSISDBHSA-N 0 0 432.515 5.226 50 0 IKAARN O=C(CCc1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000012052453 556392878 /nfs/dbraw/zinc/39/28/78/556392878.db2.gz SJNSMRYRSDYLCT-HHHXNRCGSA-N 0 0 442.490 5.143 50 0 IKAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000032809335 556394196 /nfs/dbraw/zinc/39/41/96/556394196.db2.gz AAOPDIFBZURESU-UHFFFAOYSA-N 0 0 438.471 5.303 50 0 IKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC([C@H](O)c2cccs2)CC1 ZINC000012075371 556397522 /nfs/dbraw/zinc/39/75/22/556397522.db2.gz XOEJHKAIEOFVRU-NRFANRHFSA-N 0 0 446.956 5.039 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000014238676 556400285 /nfs/dbraw/zinc/40/02/85/556400285.db2.gz IJDONRLDMHUFLR-HSZRJFAPSA-N 0 0 442.346 5.003 50 0 IKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2ccc(F)cc2)o1 ZINC000014242954 556403710 /nfs/dbraw/zinc/40/37/10/556403710.db2.gz NUKKJHUCHWTQST-NEPJUHHUSA-N 0 0 442.541 5.965 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000012376953 556404008 /nfs/dbraw/zinc/40/40/08/556404008.db2.gz HBNGCVPXPQEREJ-UHFFFAOYSA-N 0 0 440.469 5.114 50 0 IKAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3C(=O)c3ccccc3)c2cc1OC ZINC000012419759 556404310 /nfs/dbraw/zinc/40/43/10/556404310.db2.gz YETBRSURMWWBQE-UHFFFAOYSA-N 0 0 443.499 5.091 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000014244632 556404457 /nfs/dbraw/zinc/40/44/57/556404457.db2.gz JIWJZHZTZHXZSG-UHFFFAOYSA-N 0 0 443.572 5.978 50 0 IKAARN CCCCCOc1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1OC ZINC000004342394 556405045 /nfs/dbraw/zinc/40/50/45/556405045.db2.gz IJVKKZMKSPWBTB-WYMLVPIESA-N 0 0 429.586 5.815 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032578483 556405127 /nfs/dbraw/zinc/40/51/27/556405127.db2.gz FVLRPJUKZLNUHL-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN CSc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032578481 556405149 /nfs/dbraw/zinc/40/51/49/556405149.db2.gz AUOXMKCVODVAJR-UHFFFAOYSA-N 0 0 431.517 5.451 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)n2)cc1 ZINC000032578692 556405492 /nfs/dbraw/zinc/40/54/92/556405492.db2.gz QPSMYPOGZVHETH-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)n2)cc1 ZINC000032578689 556405541 /nfs/dbraw/zinc/40/55/41/556405541.db2.gz NXQIYPNVEHTNKF-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c(C)c1 ZINC000032578860 556405715 /nfs/dbraw/zinc/40/57/15/556405715.db2.gz UYRDJQHYNYNNPY-UHFFFAOYSA-N 0 0 429.476 5.193 50 0 IKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccc(Cl)cc3)n2)cc1 ZINC000032579128 556406345 /nfs/dbraw/zinc/40/63/45/556406345.db2.gz AMJSOJWJZJNWHA-UHFFFAOYSA-N 0 0 433.895 5.207 50 0 IKAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cc(Cl)c2c(c1)OCCO2 ZINC000014246624 556406608 /nfs/dbraw/zinc/40/66/08/556406608.db2.gz AZWSMXPUEZHSOC-UHFFFAOYSA-N 0 0 428.853 5.340 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nc(-c2ccc(Br)s2)ns1 ZINC000032593511 556406965 /nfs/dbraw/zinc/40/69/65/556406965.db2.gz YPDOTWNCFHEUJW-UHFFFAOYSA-N 0 0 434.340 5.644 50 0 IKAARN CCCOc1ccc([C@H]2c3c(-c4ccccc4)nn(C)c3C(=O)N2Cc2ccco2)cc1 ZINC000032593610 556407222 /nfs/dbraw/zinc/40/72/22/556407222.db2.gz HIYWAXIMPIINCY-DEOSSOPVSA-N 0 0 427.504 5.214 50 0 IKAARN Cc1ccc(-c2noc(-c3cccc(NC(=O)c4cc(-c5cccs5)on4)c3)n2)s1 ZINC000032594156 556407473 /nfs/dbraw/zinc/40/74/73/556407473.db2.gz WTDYXPMUANLKAF-UHFFFAOYSA-N 0 0 434.502 5.742 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000032815389 556407698 /nfs/dbraw/zinc/40/76/98/556407698.db2.gz KGOZMGSABWIURJ-DEOSSOPVSA-N 0 0 439.490 5.340 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000032815388 556407772 /nfs/dbraw/zinc/40/77/72/556407772.db2.gz KGOZMGSABWIURJ-XMMPIXPASA-N 0 0 439.490 5.340 50 0 IKAARN Cc1c2ccccc2sc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000014249280 556407978 /nfs/dbraw/zinc/40/79/78/556407978.db2.gz SZFLJAWHPISNFL-UHFFFAOYSA-N 0 0 429.567 5.212 50 0 IKAARN O=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000032824000 556408813 /nfs/dbraw/zinc/40/88/13/556408813.db2.gz XJKSCMHSOVPYJU-UHFFFAOYSA-N 0 0 437.499 5.782 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cccc(C)c3C)n2)cc1 ZINC000032622293 556409652 /nfs/dbraw/zinc/40/96/52/556409652.db2.gz DYHWPXREGZYHRT-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622404 556409681 /nfs/dbraw/zinc/40/96/81/556409681.db2.gz SYPZISQAQHKJLN-HXUWFJFHSA-N 0 0 430.335 5.215 50 0 IKAARN CCCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2cccnc12 ZINC000032622566 556409913 /nfs/dbraw/zinc/40/99/13/556409913.db2.gz BJJATRKHQHVRIZ-UHFFFAOYSA-N 0 0 436.895 5.734 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1C ZINC000032622460 556409928 /nfs/dbraw/zinc/40/99/28/556409928.db2.gz BYTNSDXWTLRSLX-UHFFFAOYSA-N 0 0 446.345 5.540 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)c2cccnc12 ZINC000032622596 556409963 /nfs/dbraw/zinc/40/99/63/556409963.db2.gz FWCAXEXJWOTRQX-UHFFFAOYSA-N 0 0 425.282 5.703 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032623166 556410498 /nfs/dbraw/zinc/41/04/98/556410498.db2.gz IJNHZMHZJPVQGP-QGZVFWFLSA-N 0 0 429.476 5.127 50 0 IKAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000014255392 556410634 /nfs/dbraw/zinc/41/06/34/556410634.db2.gz FQSYNOAJNVWXSL-UHFFFAOYSA-N 0 0 442.972 5.378 50 0 IKAARN CC(=O)c1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1C ZINC000032623451 556410704 /nfs/dbraw/zinc/41/07/04/556410704.db2.gz BPSJUZQHYBBZTB-UHFFFAOYSA-N 0 0 430.888 5.292 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000032623580 556410733 /nfs/dbraw/zinc/41/07/33/556410733.db2.gz UMZSEYJVWVSPMZ-OAHLLOKOSA-N 0 0 449.894 5.472 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032623609 556410739 /nfs/dbraw/zinc/41/07/39/556410739.db2.gz RTQNVOUROLUNMA-OAHLLOKOSA-N 0 0 449.894 5.472 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)n2)cc1 ZINC000032623922 556410969 /nfs/dbraw/zinc/41/09/69/556410969.db2.gz YGWCCJOTNXHUJT-UHFFFAOYSA-N 0 0 440.253 5.020 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4c(C)cccc4C)cc3)n2)cc1 ZINC000032624065 556411157 /nfs/dbraw/zinc/41/11/57/556411157.db2.gz SLWFAZGQQXXIBU-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)COc3ccccc3C)sc2NC(=O)c2ccco2)cc1 ZINC000032624629 556411418 /nfs/dbraw/zinc/41/14/18/556411418.db2.gz VHNQYLRINGRGTA-UHFFFAOYSA-N 0 0 447.516 5.290 50 0 IKAARN Cc1sc(NC(=O)COc2ccc(F)cc2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000032624504 556411430 /nfs/dbraw/zinc/41/14/30/556411430.db2.gz NXYAESLNNAKXQH-UHFFFAOYSA-N 0 0 437.496 5.547 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 ZINC000012847274 556412789 /nfs/dbraw/zinc/41/27/89/556412789.db2.gz KBBWNUBRZHPWHK-MSOLQXFVSA-N 0 0 434.849 5.758 50 0 IKAARN CCCCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NC(C)C)c2)cc1 ZINC000004370809 556412837 /nfs/dbraw/zinc/41/28/37/556412837.db2.gz GGCIUAIZXZEDGS-UHFFFAOYSA-N 0 0 435.612 5.800 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O ZINC000004385051 556413368 /nfs/dbraw/zinc/41/33/68/556413368.db2.gz BIORRPLBPMLISH-OAQYLSRUSA-N 0 0 425.532 5.198 50 0 IKAARN COC(=O)c1ccc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)o1 ZINC000014358225 556414149 /nfs/dbraw/zinc/41/41/49/556414149.db2.gz FNEGIHRGIHUDNF-UHFFFAOYSA-N 0 0 446.450 5.775 50 0 IKAARN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000014358773 556414163 /nfs/dbraw/zinc/41/41/63/556414163.db2.gz VQFLAGQJRQBFRA-HSZRJFAPSA-N 0 0 446.528 5.586 50 0 IKAARN CC(C)CC(=O)Nc1ccc(C2=NNC(=Nc3ccc(SC(F)F)cc3)SC2)cc1 ZINC000014360224 556414403 /nfs/dbraw/zinc/41/44/03/556414403.db2.gz YTQPVSYSBNRZSH-UHFFFAOYSA-N 0 0 448.564 5.905 50 0 IKAARN c1cncc(-c2nc3sc4c(c3c(NCC35CC6CC(CC(C6)C3)C5)n2)CCCC4)c1 ZINC000014360470 556414459 /nfs/dbraw/zinc/41/44/59/556414459.db2.gz ZJDOYSGGGYZSKI-UHFFFAOYSA-N 0 0 430.621 6.260 50 0 IKAARN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032830592 556417036 /nfs/dbraw/zinc/41/70/36/556417036.db2.gz ABRYVWDOWGEAAS-FQEVSTJZSA-N 0 0 449.514 5.071 50 0 IKAARN CCN(CC)C(=O)c1cccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1 ZINC000032833350 556417521 /nfs/dbraw/zinc/41/75/21/556417521.db2.gz WDFMPZSUGGFSPU-UHFFFAOYSA-N 0 0 441.984 5.051 50 0 IKAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccnn1Cc1ccccc1Cl ZINC000012944287 556417578 /nfs/dbraw/zinc/41/75/78/556417578.db2.gz UTTLRNLFBYWTIP-UHFFFAOYSA-N 0 0 426.904 5.029 50 0 IKAARN CSCc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000032833937 556417962 /nfs/dbraw/zinc/41/79/62/556417962.db2.gz AJJWGOANOAHXES-UHFFFAOYSA-N 0 0 440.908 6.047 50 0 IKAARN O=c1c2ccccc2nc(SCc2ncc(-c3cccc(Cl)c3)o2)n1Cc1ccco1 ZINC000032668402 556418272 /nfs/dbraw/zinc/41/82/72/556418272.db2.gz XOJSDEQSHBJMRV-UHFFFAOYSA-N 0 0 449.919 5.639 50 0 IKAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000012972297 556419102 /nfs/dbraw/zinc/41/91/02/556419102.db2.gz NLPMSNFEVVEQCZ-UHFFFAOYSA-N 0 0 425.488 5.062 50 0 IKAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 ZINC000012972543 556419149 /nfs/dbraw/zinc/41/91/49/556419149.db2.gz GUFVRVZYDXLIEP-GOSISDBHSA-N 0 0 445.544 5.743 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3ccc(SCc4cscn4)cc3)sc2c1 ZINC000012975108 556420848 /nfs/dbraw/zinc/42/08/48/556420848.db2.gz SZSQCGMDDBWZOR-UHFFFAOYSA-N 0 0 427.576 5.696 50 0 IKAARN COc1ccccc1-c1cc(CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)on1 ZINC000012975861 556421608 /nfs/dbraw/zinc/42/16/08/556421608.db2.gz ISXDRPVHONSORX-UHFFFAOYSA-N 0 0 439.533 5.415 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC ZINC000012976825 556422206 /nfs/dbraw/zinc/42/22/06/556422206.db2.gz MBRZCINJGJCVLY-CQSZACIVSA-N 0 0 430.957 5.377 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000012977945 556422701 /nfs/dbraw/zinc/42/27/01/556422701.db2.gz DPWRBLURZLIBRP-NDEPHWFRSA-N 0 0 444.575 5.215 50 0 IKAARN CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc2ccccc21 ZINC000012981905 556424812 /nfs/dbraw/zinc/42/48/12/556424812.db2.gz FREXQXSPXGERIZ-HNNXBMFYSA-N 0 0 447.516 5.152 50 0 IKAARN CCN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000012984720 556425996 /nfs/dbraw/zinc/42/59/96/556425996.db2.gz ROWHTPLCOIRNSN-UHFFFAOYSA-N 0 0 441.395 5.061 50 0 IKAARN CC(C)n1ncc2cc(NC(=O)c3ccccc3CSc3nc4ccccc4o3)cnc21 ZINC000032845042 556429237 /nfs/dbraw/zinc/42/92/37/556429237.db2.gz ZWTCXADHSCIQBU-UHFFFAOYSA-N 0 0 443.532 5.698 50 0 IKAARN COC(=O)c1c(COC(=O)c2ccc(Cl)nc2)nc2ccccc2c1-c1ccccc1 ZINC000012993756 556429772 /nfs/dbraw/zinc/42/97/72/556429772.db2.gz KXGCYOQTOCYTCF-UHFFFAOYSA-N 0 0 432.863 5.094 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)c23)cc1 ZINC000012995254 556430492 /nfs/dbraw/zinc/43/04/92/556430492.db2.gz XEKAPUFBWRREBC-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN CC(C)Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1 ZINC000014664823 556431170 /nfs/dbraw/zinc/43/11/70/556431170.db2.gz QGKHQRMJAHMHEA-UHFFFAOYSA-N 0 0 432.520 5.766 50 0 IKAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1c2c(nc3ccccc31)CCC2 ZINC000014673203 556431742 /nfs/dbraw/zinc/43/17/42/556431742.db2.gz ZZYFDQMENXCOIZ-UHFFFAOYSA-N 0 0 437.330 5.527 50 0 IKAARN Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000027795531 556433085 /nfs/dbraw/zinc/43/30/85/556433085.db2.gz OLCYPINBMIYMOU-UHFFFAOYSA-N 0 0 448.773 5.746 50 0 IKAARN COc1ccc2cc([C@@H](C)C(=O)NC[C@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 ZINC000032855861 556433284 /nfs/dbraw/zinc/43/32/84/556433284.db2.gz DDGLOCPYJUALBB-JKSUJKDBSA-N 0 0 437.490 5.617 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000014704318 556434506 /nfs/dbraw/zinc/43/45/06/556434506.db2.gz VSUVVUYRIBKVDN-UHFFFAOYSA-N 0 0 443.937 5.003 50 0 IKAARN COCc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)sc2cccc(F)c21 ZINC000013006072 556435096 /nfs/dbraw/zinc/43/50/96/556435096.db2.gz BSTSKOUFWZNGHZ-CQSZACIVSA-N 0 0 440.565 5.816 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000014706818 556435149 /nfs/dbraw/zinc/43/51/49/556435149.db2.gz DJDSEVLSAYVVJO-OAHLLOKOSA-N 0 0 446.425 5.172 50 0 IKAARN O=C(NCc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000013008548 556435430 /nfs/dbraw/zinc/43/54/30/556435430.db2.gz BDOVXDJGOIOATB-UHFFFAOYSA-N 0 0 432.204 5.267 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(N4CCCCC4)n3Cc3ccco3)co2)c(C)c1 ZINC000013010448 556435690 /nfs/dbraw/zinc/43/56/90/556435690.db2.gz MLGBNGJQAHFIFE-UHFFFAOYSA-N 0 0 449.580 5.474 50 0 IKAARN Brc1ccc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)o1 ZINC000013013625 556436677 /nfs/dbraw/zinc/43/66/77/556436677.db2.gz OGBMRTNEIANPCE-ZDUSSCGKSA-N 0 0 445.342 5.429 50 0 IKAARN C[C@H]1CCN(C(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c2ccccc2S1 ZINC000013014935 556436965 /nfs/dbraw/zinc/43/69/65/556436965.db2.gz DAYKCTLPJTWPOI-ZDUSSCGKSA-N 0 0 430.986 5.135 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000013014721 556437106 /nfs/dbraw/zinc/43/71/06/556437106.db2.gz VHAFBEJKVUHVSR-CYBMUJFWSA-N 0 0 431.949 5.211 50 0 IKAARN Cc1ccc(CSCCN2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)cc1 ZINC000013015954 556437773 /nfs/dbraw/zinc/43/77/73/556437773.db2.gz VRXCCNOCZASIPZ-UHFFFAOYSA-N 0 0 428.605 5.515 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1 ZINC000013017781 556438647 /nfs/dbraw/zinc/43/86/47/556438647.db2.gz PFWRVWTWTGVCIK-GOSISDBHSA-N 0 0 431.923 5.289 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)on2)cc1OC ZINC000027985759 556439049 /nfs/dbraw/zinc/43/90/49/556439049.db2.gz QYCCHBVILBAZBP-UHFFFAOYSA-N 0 0 426.856 5.628 50 0 IKAARN CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1C ZINC000013017965 556439088 /nfs/dbraw/zinc/43/90/88/556439088.db2.gz DRQWJHMUJXCLHJ-LBPRGKRZSA-N 0 0 439.737 5.165 50 0 IKAARN CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(C(C)C)cc2)cc1 ZINC000027985978 556439136 /nfs/dbraw/zinc/43/91/36/556439136.db2.gz BPJSDHVUFAGGBN-UHFFFAOYSA-N 0 0 441.527 6.367 50 0 IKAARN CCN(C(=O)c1cccnc1SCc1c(C)noc1C)c1nc2c(cccc2C)s1 ZINC000013018490 556439292 /nfs/dbraw/zinc/43/92/92/556439292.db2.gz XLQGQDUPPLTZJN-UHFFFAOYSA-N 0 0 438.578 5.564 50 0 IKAARN O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccco1)Cc1ccc(Cl)cc1Cl ZINC000027989374 556439471 /nfs/dbraw/zinc/43/94/71/556439471.db2.gz TXHBVGDLPAZLRA-UHFFFAOYSA-N 0 0 446.261 5.675 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000013021158 556439701 /nfs/dbraw/zinc/43/97/01/556439701.db2.gz CAQYMWZHFJLWDY-LJQANCHMSA-N 0 0 431.517 5.190 50 0 IKAARN CC(C)(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1 ZINC000027990057 556439753 /nfs/dbraw/zinc/43/97/53/556439753.db2.gz SZDIHUKAKHVNBU-UHFFFAOYSA-N 0 0 430.479 5.472 50 0 IKAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000027990886 556439810 /nfs/dbraw/zinc/43/98/10/556439810.db2.gz ZSKIYSZPAYXZFT-HXUWFJFHSA-N 0 0 447.918 5.421 50 0 IKAARN CCN(C(=O)COc1ccc(C)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991115 556439955 /nfs/dbraw/zinc/43/99/55/556439955.db2.gz NYFLEFZEKOXQNG-MHZLTWQESA-N 0 0 428.532 5.502 50 0 IKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1C ZINC000027991939 556440060 /nfs/dbraw/zinc/44/00/60/556440060.db2.gz KIJPFJOCADQFMC-UHFFFAOYSA-N 0 0 425.872 5.712 50 0 IKAARN COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)n2)cc1OC ZINC000027992318 556440343 /nfs/dbraw/zinc/44/03/43/556440343.db2.gz ICVPBWURQHQFAW-UHFFFAOYSA-N 0 0 443.912 5.491 50 0 IKAARN CCN(C(=O)COc1ccc(Cl)c(C)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993069 556440407 /nfs/dbraw/zinc/44/04/07/556440407.db2.gz CRQAQLGSYMEGEO-MHZLTWQESA-N 0 0 446.978 6.455 50 0 IKAARN COc1cc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccn2)cc(OC)c1OC ZINC000027992397 556440487 /nfs/dbraw/zinc/44/04/87/556440487.db2.gz PFMFYEIZIVKMFN-UHFFFAOYSA-N 0 0 434.536 5.252 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)c3oc4ccc(Cl)cc4c3C)cs2)cc1 ZINC000027993649 556440629 /nfs/dbraw/zinc/44/06/29/556440629.db2.gz MQPIJABNNKOIBL-UHFFFAOYSA-N 0 0 426.925 5.499 50 0 IKAARN CCN(C(=O)COc1ccc(C(C)C)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993165 556440649 /nfs/dbraw/zinc/44/06/49/556440649.db2.gz GUDDZGJONMQALW-LJAQVGFWSA-N 0 0 440.587 6.617 50 0 IKAARN Cc1ccc(-c2nc(COc3ccc4c(c3)oc(=O)cc4-c3ccccc3)cs2)cc1 ZINC000013027929 556441254 /nfs/dbraw/zinc/44/12/54/556441254.db2.gz SSPYJXCVTIVEAI-UHFFFAOYSA-N 0 0 425.509 6.471 50 0 IKAARN O=C(Sc1ccc(Cl)cc1)c1nc(SCc2ccccc2F)ncc1Cl ZINC000027995527 556441243 /nfs/dbraw/zinc/44/12/43/556441243.db2.gz UNZMCCMOFNGEJG-UHFFFAOYSA-N 0 0 425.337 6.147 50 0 IKAARN O=C(Sc1ccc(Cl)cc1)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000027995512 556441319 /nfs/dbraw/zinc/44/13/19/556441319.db2.gz OTNNGNAKNOHOSJ-UHFFFAOYSA-N 0 0 441.792 6.662 50 0 IKAARN COc1ccc(Cn2c3ccccc3nc2[C@H](C)c2ccc(CC(C)C)cc2)cc1OC ZINC000013030859 556442328 /nfs/dbraw/zinc/44/23/28/556442328.db2.gz VBDKOJYNKBIGLX-HXUWFJFHSA-N 0 0 428.576 6.452 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c(C)n1C(C)C ZINC000013038136 556443838 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50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000028288504 556448170 /nfs/dbraw/zinc/44/81/70/556448170.db2.gz PLEMHEILNWOQQR-KRWDZBQOSA-N 0 0 438.593 5.242 50 0 IKAARN O=C(c1ccccn1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014819624 556448235 /nfs/dbraw/zinc/44/82/35/556448235.db2.gz PDBXFRYSUBQMHG-CQSZACIVSA-N 0 0 434.348 5.338 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028288516 556448233 /nfs/dbraw/zinc/44/82/33/556448233.db2.gz WXCLWUPQYFFTBC-UHFFFAOYSA-N 0 0 428.985 5.633 50 0 IKAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028288545 556448260 /nfs/dbraw/zinc/44/82/60/556448260.db2.gz KEZCPEZDTCRKSY-QGZVFWFLSA-N 0 0 443.012 6.022 50 0 IKAARN Cc1cc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)n1C ZINC000013042304 556448436 /nfs/dbraw/zinc/44/84/36/556448436.db2.gz GLKCIAJRNGIDAC-UHFFFAOYSA-N 0 0 425.598 5.861 50 0 IKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2c(C)cccc2C)cc1 ZINC000028288738 556448513 /nfs/dbraw/zinc/44/85/13/556448513.db2.gz KSKWTFYFQYTXOY-SANMLTNESA-N 0 0 428.532 5.420 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1Cl ZINC000013042526 556448600 /nfs/dbraw/zinc/44/86/00/556448600.db2.gz HAARBBQWWZUERF-UHFFFAOYSA-N 0 0 444.344 5.162 50 0 IKAARN COc1ccccc1OCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000014822029 556448635 /nfs/dbraw/zinc/44/86/35/556448635.db2.gz CVOLAUONYMEKOQ-IBGZPJMESA-N 0 0 434.923 5.157 50 0 IKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000028288748 556448611 /nfs/dbraw/zinc/44/86/11/556448611.db2.gz XJWPSUBYHZZOOG-HHHXNRCGSA-N 0 0 428.532 5.420 50 0 IKAARN CC(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 ZINC000028290439 556449443 /nfs/dbraw/zinc/44/94/43/556449443.db2.gz BXABOFJIPGNWEB-FICPYRFJSA-N 0 0 434.624 5.310 50 0 IKAARN COc1ccc(F)cc1C(=O)COC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000014846185 556449548 /nfs/dbraw/zinc/44/95/48/556449548.db2.gz VATXFCPKSCSRMV-CVEARBPZSA-N 0 0 427.497 5.144 50 0 IKAARN CC(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 ZINC000028290442 556449575 /nfs/dbraw/zinc/44/95/75/556449575.db2.gz BXABOFJIPGNWEB-UFCYUWOPSA-N 0 0 434.624 5.310 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000013058448 556449702 /nfs/dbraw/zinc/44/97/02/556449702.db2.gz ZEVUUZDAQJTGCC-SFHVURJKSA-N 0 0 445.563 5.291 50 0 IKAARN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCOCC2)c1 ZINC000013058731 556449715 /nfs/dbraw/zinc/44/97/15/556449715.db2.gz CWMAZESHSQWZAL-QHCPKHFHSA-N 0 0 436.577 5.047 50 0 IKAARN COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCOCC2)c1 ZINC000013058729 556449805 /nfs/dbraw/zinc/44/98/05/556449805.db2.gz CWMAZESHSQWZAL-HSZRJFAPSA-N 0 0 436.577 5.047 50 0 IKAARN Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)c1 ZINC000028290511 556449857 /nfs/dbraw/zinc/44/98/57/556449857.db2.gz JKWDHFTYGHHCKB-UHFFFAOYSA-N 0 0 447.387 6.727 50 0 IKAARN Cc1ccccc1CSc1ncc(Sc2ccccc2)c(C(=O)Nc2ccccc2)n1 ZINC000028290532 556449873 /nfs/dbraw/zinc/44/98/73/556449873.db2.gz DMHFUCBIIMOCAW-UHFFFAOYSA-N 0 0 443.597 6.481 50 0 IKAARN Cc1c(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000028291566 556450071 /nfs/dbraw/zinc/45/00/71/556450071.db2.gz AQPZBUXHSGIMKQ-HSZRJFAPSA-N 0 0 434.580 5.285 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)c1 ZINC000013059572 556450138 /nfs/dbraw/zinc/45/01/38/556450138.db2.gz LOGYLLGUGKQGLT-UHFFFAOYSA-N 0 0 449.982 5.588 50 0 IKAARN COc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Br)cc1 ZINC000028291961 556450315 /nfs/dbraw/zinc/45/03/15/556450315.db2.gz MNASBVPFXGNBMP-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN COc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)cc1 ZINC000028292410 556450356 /nfs/dbraw/zinc/45/03/56/556450356.db2.gz FVMXMMNYXPUCQM-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1nc(SCc2ccccc2F)ncc1Br ZINC000028292873 556450611 /nfs/dbraw/zinc/45/06/11/556450611.db2.gz FGFDDMDSECOCAR-UHFFFAOYSA-N 0 0 436.281 5.062 50 0 IKAARN COc1cccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)c1 ZINC000028293094 556450618 /nfs/dbraw/zinc/45/06/18/556450618.db2.gz RHQMOIBKCUDAJL-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN COc1ccc2oc(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c2c1 ZINC000013062415 556451048 /nfs/dbraw/zinc/45/10/48/556451048.db2.gz HPFAOUWEPUCTFC-UHFFFAOYSA-N 0 0 443.499 5.136 50 0 IKAARN Cc1cc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)c(C)n1C[C@@H]1CCCO1 ZINC000013062877 556451421 /nfs/dbraw/zinc/45/14/21/556451421.db2.gz DRESJZKDWRIDIN-HNNXBMFYSA-N 0 0 437.396 5.510 50 0 IKAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000013063172 556451688 /nfs/dbraw/zinc/45/16/88/556451688.db2.gz FIBBLHPEVNGBOJ-UHFFFAOYSA-N 0 0 447.903 6.024 50 0 IKAARN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)CNc3ccccc3)c2c(C)c1 ZINC000028296660 556451816 /nfs/dbraw/zinc/45/18/16/556451816.db2.gz OTWYDGBQRKDJKI-MHZLTWQESA-N 0 0 446.594 7.065 50 0 IKAARN C[C@H]1CCCN(Cn2nc(COc3ccc(Cl)cc3)n(-c3ccccc3)c2=S)C1 ZINC000013063529 556452047 /nfs/dbraw/zinc/45/20/47/556452047.db2.gz UICYCVNVCRPXPA-KRWDZBQOSA-N 0 0 428.989 5.325 50 0 IKAARN C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccc(Cl)c1 ZINC000013069886 556452875 /nfs/dbraw/zinc/45/28/75/556452875.db2.gz QCETZYLDYSMXKD-GFCCVEGCSA-N 0 0 430.360 5.809 50 0 IKAARN S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000013070330 556453316 /nfs/dbraw/zinc/45/33/16/556453316.db2.gz ZVXQURITMIGLDJ-HNNXBMFYSA-N 0 0 438.534 5.006 50 0 IKAARN CC1CCN(Cn2nc(COc3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1 ZINC000013071535 556453694 /nfs/dbraw/zinc/45/36/94/556453694.db2.gz HWYYNLKMEIQBOD-UHFFFAOYSA-N 0 0 428.989 5.325 50 0 IKAARN COc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Br)cc1 ZINC000028403829 556453706 /nfs/dbraw/zinc/45/37/06/556453706.db2.gz FIPUOMIHPBCFGO-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN Cc1ccc(Sc2cnc(SCc3ccccc3)nc2C(=O)Nc2ccccc2)cc1 ZINC000028403759 556453798 /nfs/dbraw/zinc/45/37/98/556453798.db2.gz IHFHLPGLHXOUEW-UHFFFAOYSA-N 0 0 443.597 6.481 50 0 IKAARN CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C[C@@H]2CCCO2)c1=S ZINC000013071946 556453829 /nfs/dbraw/zinc/45/38/29/556453829.db2.gz FBIFKKWAHREGAA-FQEVSTJZSA-N 0 0 446.979 5.142 50 0 IKAARN Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1 ZINC000014881918 556454203 /nfs/dbraw/zinc/45/42/03/556454203.db2.gz GSEORQAOEQXREG-IBGZPJMESA-N 0 0 439.481 5.799 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000028422525 556454352 /nfs/dbraw/zinc/45/43/52/556454352.db2.gz KFPAMNVDHNXTCL-CYBMUJFWSA-N 0 0 433.360 5.823 50 0 IKAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1csc(-c2ccccc2)n1 ZINC000013074599 556454994 /nfs/dbraw/zinc/45/49/94/556454994.db2.gz NXTXMBZMPHZRDE-UHFFFAOYSA-N 0 0 443.981 5.112 50 0 IKAARN O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1SCc1cn2ccccc2n1 ZINC000028437545 556455084 /nfs/dbraw/zinc/45/50/84/556455084.db2.gz SGPKIRKXFZXNJO-UHFFFAOYSA-N 0 0 439.487 5.158 50 0 IKAARN Cc1cccc(C(=O)Nc2ccccc2Sc2nc(Cl)nn2Cc2ccccc2)c1 ZINC000032958470 556455428 /nfs/dbraw/zinc/45/54/28/556455428.db2.gz FUQAKYCJWSIERR-UHFFFAOYSA-N 0 0 434.952 5.692 50 0 IKAARN CCOc1cc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)nn32)ccc1O ZINC000013076247 556455602 /nfs/dbraw/zinc/45/56/02/556455602.db2.gz BVBKRZHWQFXOCF-OAQYLSRUSA-N 0 0 444.922 5.163 50 0 IKAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c12 ZINC000014898886 556456665 /nfs/dbraw/zinc/45/66/65/556456665.db2.gz MLJABFHWMZTDHV-UHFFFAOYSA-N 0 0 434.805 5.461 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)c(C)c2)cc1 ZINC000013096289 556456941 /nfs/dbraw/zinc/45/69/41/556456941.db2.gz SJASVZVCMVWRLC-SFHVURJKSA-N 0 0 434.561 5.684 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000013096671 556457290 /nfs/dbraw/zinc/45/72/90/556457290.db2.gz NPUHOHKHVMIUSO-UHFFFAOYSA-N 0 0 432.904 5.095 50 0 IKAARN O=C(COc1ccc2c(c1)occ(Oc1ccc(Cl)cc1)c2=O)N1CCc2ccccc21 ZINC000013097173 556457613 /nfs/dbraw/zinc/45/76/13/556457613.db2.gz MAOWRGRMCNJMAZ-UHFFFAOYSA-N 0 0 447.874 5.207 50 0 IKAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCSc2ccccc21 ZINC000028643745 556457845 /nfs/dbraw/zinc/45/78/45/556457845.db2.gz WICYDXHENRRSIK-UHFFFAOYSA-N 0 0 429.545 5.144 50 0 IKAARN O=C(Nc1cccc(-c2nnco2)c1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000072277758 556458021 /nfs/dbraw/zinc/45/80/21/556458021.db2.gz NNVZWZZWFDQTEG-UHFFFAOYSA-N 0 0 430.430 5.732 50 0 IKAARN Cn1c2ccccc2nc1-c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000013097504 556458346 /nfs/dbraw/zinc/45/83/46/556458346.db2.gz JYGATHZINBKDBR-UHFFFAOYSA-N 0 0 429.321 5.856 50 0 IKAARN Fc1ccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013097501 556458370 /nfs/dbraw/zinc/45/83/70/556458370.db2.gz ZEFVFMBSLPLAHJ-AREMUKBSSA-N 0 0 432.502 6.937 50 0 IKAARN CCN(CC)C(=S)SCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC000013098154 556458736 /nfs/dbraw/zinc/45/87/36/556458736.db2.gz HGLRIODOHPANRF-UHFFFAOYSA-N 0 0 438.622 5.146 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1 ZINC000014920646 556458756 /nfs/dbraw/zinc/45/87/56/556458756.db2.gz PXNVKYVGXJHDQI-UHFFFAOYSA-N 0 0 449.479 5.887 50 0 IKAARN C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000028697010 556459179 /nfs/dbraw/zinc/45/91/79/556459179.db2.gz PBCBFUPUFKZKJJ-VIFPVBQESA-N 0 0 442.755 5.013 50 0 IKAARN CCn1c(=S)n(CN2CCC[C@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1Cl ZINC000013098355 556459150 /nfs/dbraw/zinc/45/91/50/556459150.db2.gz MFSZHPBSVAXFFC-KDOFPFPSSA-N 0 0 425.429 6.020 50 0 IKAARN C[C@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)Nc1ccc(N(C)C)cc1 ZINC000013098460 556459246 /nfs/dbraw/zinc/45/92/46/556459246.db2.gz DGQLHCVQSJKUMT-HNNXBMFYSA-N 0 0 434.590 5.544 50 0 IKAARN COc1ccc(-c2nnc(SCCOc3ccccc3)n2-c2ccccc2C(C)C)cc1 ZINC000013098870 556459331 /nfs/dbraw/zinc/45/93/31/556459331.db2.gz IEGVKEZOVRCSII-UHFFFAOYSA-N 0 0 445.588 6.237 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)c(C)c1 ZINC000013098846 556459413 /nfs/dbraw/zinc/45/94/13/556459413.db2.gz ZWFYLIFAWMJGTC-UHFFFAOYSA-N 0 0 439.540 5.459 50 0 IKAARN CN(C)c1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000013098969 556459424 /nfs/dbraw/zinc/45/94/24/556459424.db2.gz VDZFCBYHPBGMQH-MHZLTWQESA-N 0 0 447.582 5.878 50 0 IKAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000014948608 556459962 /nfs/dbraw/zinc/45/99/62/556459962.db2.gz ZDSQHBUITIQGRJ-UHFFFAOYSA-N 0 0 447.497 5.296 50 0 IKAARN CN(C(=O)Nc1ccccc1OCC(F)(F)F)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000072277979 556460107 /nfs/dbraw/zinc/46/01/07/556460107.db2.gz GIQDHRANHCJEGU-FQEVSTJZSA-N 0 0 449.860 5.929 50 0 IKAARN COc1ccc(CN(C)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000013100805 556460479 /nfs/dbraw/zinc/46/04/79/556460479.db2.gz QANQDXWUTWCUOQ-UHFFFAOYSA-N 0 0 425.912 5.208 50 0 IKAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013102068 556460995 /nfs/dbraw/zinc/46/09/95/556460995.db2.gz FCHKUBDYZFKMDX-JOCHJYFZSA-N 0 0 426.497 5.517 50 0 IKAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 ZINC000013102107 556461047 /nfs/dbraw/zinc/46/10/47/556461047.db2.gz RNDXZOHJXZINAE-FQEVSTJZSA-N 0 0 431.966 5.216 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Sc1ncnc2sc3c(c21)CCC3 ZINC000013102442 556461092 /nfs/dbraw/zinc/46/10/92/556461092.db2.gz LICFELCERKBIIM-UHFFFAOYSA-N 0 0 447.541 5.312 50 0 IKAARN Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@H](C(F)(F)F)C3)c2=S)cc1 ZINC000028783470 556461141 /nfs/dbraw/zinc/46/11/41/556461141.db2.gz CBSXQBDVVKCSAM-KRWDZBQOSA-N 0 0 433.503 5.006 50 0 IKAARN COc1ccccc1N1C[C@H](C(=O)N(c2nc3ccccc3s2)c2ccccc2)CC1=O ZINC000013109020 556462594 /nfs/dbraw/zinc/46/25/94/556462594.db2.gz JZDVCZDQUAZXEW-QGZVFWFLSA-N 0 0 443.528 5.023 50 0 IKAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000013110215 556464258 /nfs/dbraw/zinc/46/42/58/556464258.db2.gz MXSXOEAJGHLCHT-HXUWFJFHSA-N 0 0 448.931 5.108 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(=O)c1cccc(F)c1)Nc1ccccc1C(F)(F)F ZINC000032959155 556464501 /nfs/dbraw/zinc/46/45/01/556464501.db2.gz UAHILOBJFSGRNI-UHFFFAOYSA-N 0 0 441.384 5.064 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000013112331 556464454 /nfs/dbraw/zinc/46/44/54/556464454.db2.gz IEOFYWCEBQAZKS-UHFFFAOYSA-N 0 0 434.974 5.043 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000032959127 556465263 /nfs/dbraw/zinc/46/52/63/556465263.db2.gz KZJFXVIKPPPHRD-UHFFFAOYSA-N 0 0 438.314 5.521 50 0 IKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1Br ZINC000029012987 556465642 /nfs/dbraw/zinc/46/56/42/556465642.db2.gz IAKSSGOYFBSADO-UHFFFAOYSA-N 0 0 427.245 5.844 50 0 IKAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1oc2ccccc2c1COc1ccccc1 ZINC000013112849 556465874 /nfs/dbraw/zinc/46/58/74/556465874.db2.gz SJQSLCMHPCHDPA-JOCHJYFZSA-N 0 0 430.504 5.172 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C)cc1 ZINC000029028603 556465989 /nfs/dbraw/zinc/46/59/89/556465989.db2.gz KLURQZDGEOWPBS-UHFFFAOYSA-N 0 0 444.516 5.027 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)o3)cs2)cc1 ZINC000013113156 556466169 /nfs/dbraw/zinc/46/61/69/556466169.db2.gz FZMRKJBXGFNDGL-UHFFFAOYSA-N 0 0 448.342 6.054 50 0 IKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 ZINC000013113182 556466520 /nfs/dbraw/zinc/46/65/20/556466520.db2.gz QNIZSLJTQKKAMO-OAHLLOKOSA-N 0 0 428.561 5.614 50 0 IKAARN O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cccc(Cl)c2Cl)C2CC2)cc1 ZINC000029075921 556466594 /nfs/dbraw/zinc/46/65/94/556466594.db2.gz CCPKCYICAUMAIW-UHFFFAOYSA-N 0 0 445.268 5.090 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013114507 556466795 /nfs/dbraw/zinc/46/67/95/556466795.db2.gz ZQYKLENGNPYRAR-OPAMFIHVSA-N 0 0 442.540 5.584 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2oc1-c1ccccc1 ZINC000029113090 556467318 /nfs/dbraw/zinc/46/73/18/556467318.db2.gz ONINZBGQQHYVDD-HSZRJFAPSA-N 0 0 443.474 5.121 50 0 IKAARN COc1cccc(CNC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000013115211 556467884 /nfs/dbraw/zinc/46/78/84/556467884.db2.gz JKBKLJNNKBECEJ-UHFFFAOYSA-N 0 0 429.314 5.059 50 0 IKAARN Cc1ccc(-c2csc3[nH]c(CSc4ccc(C(F)(F)F)cn4)nc(=O)c23)cc1 ZINC000013115810 556468302 /nfs/dbraw/zinc/46/83/02/556468302.db2.gz ONOFAQMBEPNENN-UHFFFAOYSA-N 0 0 433.480 5.666 50 0 IKAARN COc1ccc2c(c1)nc(SCc1ccc(Cl)c(Cl)c1)cc2-c1cccnc1 ZINC000013117117 556469089 /nfs/dbraw/zinc/46/90/89/556469089.db2.gz MCLXUSCRKLSIKP-UHFFFAOYSA-N 0 0 427.356 6.905 50 0 IKAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 ZINC000013116965 556469111 /nfs/dbraw/zinc/46/91/11/556469111.db2.gz RETDXMIIAJPRKN-HNNXBMFYSA-N 0 0 433.537 5.116 50 0 IKAARN C[C@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)c1ccccc1Cl ZINC000014977394 556469224 /nfs/dbraw/zinc/46/92/24/556469224.db2.gz HJUAQDUINGFGCZ-HNNXBMFYSA-N 0 0 444.362 5.656 50 0 IKAARN C[C@@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)c1ccccc1Cl ZINC000014977390 556469261 /nfs/dbraw/zinc/46/92/61/556469261.db2.gz HJUAQDUINGFGCZ-OAHLLOKOSA-N 0 0 444.362 5.656 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)o1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000013117513 556470156 /nfs/dbraw/zinc/47/01/56/556470156.db2.gz YNVNYWACNNFHEG-HSZRJFAPSA-N 0 0 449.963 5.312 50 0 IKAARN COc1ccc(-c2nc(CC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1 ZINC000013118009 556471050 /nfs/dbraw/zinc/47/10/50/556471050.db2.gz KNSURFJKIIGUDS-IBGZPJMESA-N 0 0 435.574 5.335 50 0 IKAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000013117900 556471053 /nfs/dbraw/zinc/47/10/53/556471053.db2.gz CNUAIWKHCVAGMS-UHFFFAOYSA-N 0 0 440.572 5.242 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1)c1ccco1 ZINC000029280195 556471561 /nfs/dbraw/zinc/47/15/61/556471561.db2.gz GIIGSPPNWBUWTM-QHCPKHFHSA-N 0 0 428.513 5.381 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1CC(F)(F)F ZINC000013119594 556471724 /nfs/dbraw/zinc/47/17/24/556471724.db2.gz RDSOIYLXFSRATJ-UHFFFAOYSA-N 0 0 448.514 5.159 50 0 IKAARN Cc1csc(-c2ccc(C(=O)N(C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)c(N(C)C)n2)c1 ZINC000014984255 556471994 /nfs/dbraw/zinc/47/19/94/556471994.db2.gz OAGWPDRUWMFNNW-QGZVFWFLSA-N 0 0 445.592 5.408 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000013120263 556472238 /nfs/dbraw/zinc/47/22/38/556472238.db2.gz AAATVJFGQAZXQO-MRXNPFEDSA-N 0 0 434.517 5.493 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1Br)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000013120467 556472270 /nfs/dbraw/zinc/47/22/70/556472270.db2.gz HPQBCWNXIPQJFN-LLVKDONJSA-N 0 0 445.313 5.693 50 0 IKAARN COc1cc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc32)ccc1O ZINC000013120173 556472302 /nfs/dbraw/zinc/47/23/02/556472302.db2.gz LPBAKOPKPNPQTC-UHFFFAOYSA-N 0 0 441.487 5.281 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000013120787 556472906 /nfs/dbraw/zinc/47/29/06/556472906.db2.gz NMQGDKZBJPXZCS-DEOSSOPVSA-N 0 0 446.938 5.561 50 0 IKAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000029349487 556472939 /nfs/dbraw/zinc/47/29/39/556472939.db2.gz BDUPWXVLAMVRPO-OAQYLSRUSA-N 0 0 426.588 5.003 50 0 IKAARN Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)o2)c1 ZINC000013120965 556473193 /nfs/dbraw/zinc/47/31/93/556473193.db2.gz RPSXCYXSQQOKGL-HNNXBMFYSA-N 0 0 438.578 5.275 50 0 IKAARN CSc1ccccc1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000014987425 556473210 /nfs/dbraw/zinc/47/32/10/556473210.db2.gz OKAOBFXZLBPEPM-INIZCTEOSA-N 0 0 441.549 5.212 50 0 IKAARN CC[C@@H](C)c1ccc([C@H](NC(=O)c2nn(C)c(=O)c3ccccc32)c2cccs2)cc1 ZINC000013121286 556473839 /nfs/dbraw/zinc/47/38/39/556473839.db2.gz AIPRZFGKVNCZKX-ZHRRBRCNSA-N 0 0 431.561 5.028 50 0 IKAARN Clc1ccccc1-n1c(SCc2ncc(-c3ccccc3)o2)nnc1N1CCCC1 ZINC000013121277 556473863 /nfs/dbraw/zinc/47/38/63/556473863.db2.gz ZXCNHAXQXPDVMC-UHFFFAOYSA-N 0 0 437.956 5.468 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(C)(c1ccccc1)c1ccccc1 ZINC000013121337 556474194 /nfs/dbraw/zinc/47/41/94/556474194.db2.gz HCMNDXYXLJALDP-UHFFFAOYSA-N 0 0 443.978 5.629 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000029421800 556475069 /nfs/dbraw/zinc/47/50/69/556475069.db2.gz UEJZYNKRLLMBQL-IBGZPJMESA-N 0 0 445.635 5.507 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000029421799 556475104 /nfs/dbraw/zinc/47/51/04/556475104.db2.gz UEJZYNKRLLMBQL-LJQANCHMSA-N 0 0 445.635 5.507 50 0 IKAARN Clc1ccccc1OCc1nnc(SCc2cc(-c3ccco3)on2)n1C1CC1 ZINC000013126080 556475129 /nfs/dbraw/zinc/47/51/29/556475129.db2.gz WLGXLYZODQEVKH-UHFFFAOYSA-N 0 0 428.901 5.386 50 0 IKAARN O[C@@H](c1ccc2c(c1)CN(Cc1cccnc1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000014991429 556475144 /nfs/dbraw/zinc/47/51/44/556475144.db2.gz GJDNROXVPRTSEQ-LJAQVGFWSA-N 0 0 436.555 5.342 50 0 IKAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000013126898 556475362 /nfs/dbraw/zinc/47/53/62/556475362.db2.gz ZQUSNIGLEBXRDS-RUZDIDTESA-N 0 0 438.531 5.310 50 0 IKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000013126896 556475444 /nfs/dbraw/zinc/47/54/44/556475444.db2.gz ZQUSNIGLEBXRDS-VWLOTQADSA-N 0 0 438.531 5.310 50 0 IKAARN CCn1c(S[C@H]2C[C@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000013127014 556475449 /nfs/dbraw/zinc/47/54/49/556475449.db2.gz NNHYSSVJYGBLAH-AOMKIAJQSA-N 0 0 444.560 5.285 50 0 IKAARN CCN(CC)[C@@H](C(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(C(F)(F)F)c1 ZINC000072284643 556475500 /nfs/dbraw/zinc/47/55/00/556475500.db2.gz OHJZWSHFYHCFIX-HXUWFJFHSA-N 0 0 430.474 5.128 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(NCc3ccco3)s2)c(C)n1Cc1ccccc1 ZINC000013127941 556476748 /nfs/dbraw/zinc/47/67/48/556476748.db2.gz VMBWCFWYEABVGJ-UHFFFAOYSA-N 0 0 438.578 5.185 50 0 IKAARN C[C@@H](Oc1ccccc1F)c1nnc(SCCOc2ccc(Br)cc2)o1 ZINC000013127903 556476777 /nfs/dbraw/zinc/47/67/77/556476777.db2.gz OWMAFKXTKHJMQP-GFCCVEGCSA-N 0 0 439.306 5.282 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2csc(N(C(C)=O)c3ccccc3)n2)c1 ZINC000013128140 556477020 /nfs/dbraw/zinc/47/70/20/556477020.db2.gz YZXPUSDOBKGJLB-QFIPXVFZSA-N 0 0 437.565 5.182 50 0 IKAARN Cc1nc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(Cl)cc1Cl ZINC000013128011 556477179 /nfs/dbraw/zinc/47/71/79/556477179.db2.gz XCVOXDJTXQRDEZ-UHFFFAOYSA-N 0 0 440.381 5.083 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)n2C2CCCCC2)cc1 ZINC000013128208 556477464 /nfs/dbraw/zinc/47/74/64/556477464.db2.gz BWHSEWJHDCIGCM-HDICACEKSA-N 0 0 442.629 5.341 50 0 IKAARN CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2Br)o1)c1ccccc1 ZINC000013128541 556477845 /nfs/dbraw/zinc/47/78/45/556477845.db2.gz RILPZRQGQOMYIQ-QGZVFWFLSA-N 0 0 446.370 5.201 50 0 IKAARN O=C(Nc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1)c1ccco1 ZINC000013128610 556477870 /nfs/dbraw/zinc/47/78/70/556477870.db2.gz OKMBDXRYLGZSGR-UHFFFAOYSA-N 0 0 429.501 5.449 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000013129382 556479169 /nfs/dbraw/zinc/47/91/69/556479169.db2.gz NVHWFLBREKHDJJ-UHFFFAOYSA-N 0 0 426.516 6.042 50 0 IKAARN CCOC(=O)c1cc(-c2ccccn2)nc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 ZINC000013129829 556479571 /nfs/dbraw/zinc/47/95/71/556479571.db2.gz RMAFPIQCWFQCMK-UHFFFAOYSA-N 0 0 427.291 5.274 50 0 IKAARN COc1ccc2c(CC(=O)Nc3c(C)c(C)nn3-c3ccc(Cl)c(Cl)c3)coc2c1 ZINC000072287418 556479767 /nfs/dbraw/zinc/47/97/67/556479767.db2.gz COXPNOFVRHHDMZ-UHFFFAOYSA-N 0 0 444.318 5.732 50 0 IKAARN CC(C)NC(=O)CSc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000013131331 556480375 /nfs/dbraw/zinc/48/03/75/556480375.db2.gz YENDWEIANLRIQU-ZDUSSCGKSA-N 0 0 425.381 5.101 50 0 IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000013131369 556480451 /nfs/dbraw/zinc/48/04/51/556480451.db2.gz NLNIZDZDXBVRFH-RUZDIDTESA-N 0 0 436.580 6.387 50 0 IKAARN CCOc1ccc2nc(NC(=O)CSc3cccc4cccc(Cl)c43)sc2c1 ZINC000013132002 556480745 /nfs/dbraw/zinc/48/07/45/556480745.db2.gz OQDAQULSIKYWMT-UHFFFAOYSA-N 0 0 428.966 6.232 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(COc2ccccc2)cc1 ZINC000013132151 556481050 /nfs/dbraw/zinc/48/10/50/556481050.db2.gz USKQNWLDOFAVPQ-MHZLTWQESA-N 0 0 447.538 5.856 50 0 IKAARN CN(Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000015004725 556481106 /nfs/dbraw/zinc/48/11/06/556481106.db2.gz FASFSPXPLBGUNO-GOSISDBHSA-N 0 0 440.016 5.396 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2S[C@@H](C)c2nc(-c3ccco3)no2)cc1F ZINC000029740204 556481126 /nfs/dbraw/zinc/48/11/26/556481126.db2.gz QVHWFWPSWCWXFC-AWEZNQCLSA-N 0 0 448.479 5.330 50 0 IKAARN CN(Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000015004724 556481228 /nfs/dbraw/zinc/48/12/28/556481228.db2.gz FASFSPXPLBGUNO-SFHVURJKSA-N 0 0 440.016 5.396 50 0 IKAARN COc1ccc(OC)c(Nc2nc(CSc3ccccc3)nc3sc(C)c(C)c32)c1 ZINC000013133809 556481367 /nfs/dbraw/zinc/48/13/67/556481367.db2.gz YXHCODVAKNFCTF-UHFFFAOYSA-N 0 0 437.590 6.361 50 0 IKAARN Cc1ccccc1-c1cccc(CN(C)Cc2nnc(SCc3ccncc3)n2C)c1 ZINC000015005122 556481662 /nfs/dbraw/zinc/48/16/62/556481662.db2.gz SIOKBKIVMVHEGV-UHFFFAOYSA-N 0 0 429.593 5.110 50 0 IKAARN CC[C@H](C)c1ccc(C(=O)COc2ccc(Br)cc2Br)cc1 ZINC000013134237 556481998 /nfs/dbraw/zinc/48/19/98/556481998.db2.gz QFEUGWNMBSRQMZ-LBPRGKRZSA-N 0 0 426.148 5.987 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1Cl ZINC000013134451 556482360 /nfs/dbraw/zinc/48/23/60/556482360.db2.gz ABDZPUOTOUSTPY-UHFFFAOYSA-N 0 0 436.238 6.368 50 0 IKAARN CCN(C(=O)CSc1nn(-c2ccc(C)c(Cl)c2)c(=S)s1)c1ccccc1 ZINC000013134395 556482376 /nfs/dbraw/zinc/48/23/76/556482376.db2.gz PPKNFACLCWYOSC-UHFFFAOYSA-N 0 0 436.027 5.770 50 0 IKAARN COCCn1c2ccc(Cl)cc2nc1S[C@@H](C)c1nnc(-c2ccc(OC)cc2)o1 ZINC000029794693 556482945 /nfs/dbraw/zinc/48/29/45/556482945.db2.gz FESVQMWHIVTQBE-ZDUSSCGKSA-N 0 0 444.944 5.248 50 0 IKAARN CCOc1ccc(CCNC(=O)COc2ccc3oc4ccccc4c3c2)cc1OCC ZINC000013135380 556483340 /nfs/dbraw/zinc/48/33/40/556483340.db2.gz UOCWJQJENVAGCR-UHFFFAOYSA-N 0 0 433.504 5.121 50 0 IKAARN O=C1NC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000015013438 556484579 /nfs/dbraw/zinc/48/45/79/556484579.db2.gz VCHFFMTYVGGDMR-GZTJUZNOSA-N 0 0 432.785 5.716 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000013138039 556484994 /nfs/dbraw/zinc/48/49/94/556484994.db2.gz RQPRFKUNZKSXGL-IERDGZPVSA-N 0 0 439.556 5.819 50 0 IKAARN Fc1ccc(-n2c(SCCNc3nc4ccccc4[nH]3)nnc2-c2ccccc2)cc1 ZINC000013138054 556485024 /nfs/dbraw/zinc/48/50/24/556485024.db2.gz MXSSKKGKVCIKJC-UHFFFAOYSA-N 0 0 430.512 5.154 50 0 IKAARN O=c1nc(C(Cl)=Cc2cccc(Br)c2)[nH]c2scc(-c3cccs3)c21 ZINC000013138215 556485417 /nfs/dbraw/zinc/48/54/17/556485417.db2.gz ICGVYWSSJFCAIN-JYRVWZFOSA-N 0 0 449.782 6.213 50 0 IKAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1ccc(F)c(F)c1 ZINC000013140997 556485944 /nfs/dbraw/zinc/48/59/44/556485944.db2.gz YMGZRNVXZQBWPX-UHFFFAOYSA-N 0 0 437.880 5.614 50 0 IKAARN C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Cl)cc1Cl ZINC000013140871 556485966 /nfs/dbraw/zinc/48/59/66/556485966.db2.gz IIASWWWWCLDJIH-CYBMUJFWSA-N 0 0 447.391 5.421 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 ZINC000013141060 556486372 /nfs/dbraw/zinc/48/63/72/556486372.db2.gz SIOXAHMCISMZLZ-KRWDZBQOSA-N 0 0 434.590 5.024 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 ZINC000013141242 556486568 /nfs/dbraw/zinc/48/65/68/556486568.db2.gz NCLMZHYUJGFOEQ-KRWDZBQOSA-N 0 0 440.638 5.405 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c(C)n1C[C@@H]1CCCO1 ZINC000013141834 556486887 /nfs/dbraw/zinc/48/68/87/556486887.db2.gz YYHFTUOOYDGLTC-NRFANRHFSA-N 0 0 433.504 5.116 50 0 IKAARN CCOc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc(Br)c1OCC ZINC000015018074 556486916 /nfs/dbraw/zinc/48/69/16/556486916.db2.gz ZDFPSSQKILHUCM-JHVJFLLYSA-N 0 0 432.358 5.799 50 0 IKAARN CCOc1c(Br)cc([C@@H]2Nc3ccc(CC)cc3[C@H]3OCC[C@H]32)cc1OC ZINC000015018058 556486973 /nfs/dbraw/zinc/48/69/73/556486973.db2.gz ZFYNLHRUYFNYII-JHVJFLLYSA-N 0 0 432.358 5.663 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000015018951 556487543 /nfs/dbraw/zinc/48/75/43/556487543.db2.gz QTSKZAMVMGMZFL-UHFFFAOYSA-N 0 0 426.929 5.404 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3ccc4ccccc4n3)sc2-c2ccc(C)cc2)cc1 ZINC000013145543 556487739 /nfs/dbraw/zinc/48/77/39/556487739.db2.gz WEPZZRROHQJDBU-UHFFFAOYSA-N 0 0 435.552 6.894 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)Cn2c(=S)[nH]nc2-c2cccc(C)c2)cc1 ZINC000029978946 556487942 /nfs/dbraw/zinc/48/79/42/556487942.db2.gz VVPGVGWRZUWECS-UHFFFAOYSA-N 0 0 430.533 5.656 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1 ZINC000013146436 556488341 /nfs/dbraw/zinc/48/83/41/556488341.db2.gz GZNBWFABVPEWAA-UHFFFAOYSA-N 0 0 438.572 5.306 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ncc(Cc4cccc(C)c4)s3)cc12 ZINC000013147551 556488785 /nfs/dbraw/zinc/48/87/85/556488785.db2.gz KNRNGQYYCNEGBX-UHFFFAOYSA-N 0 0 444.585 6.003 50 0 IKAARN CC1(C)CC(=O)C2(Cc3c4ccccc4ccc3N(Cc3ccc4c(c3)OCO4)C2)C(=O)C1 ZINC000015024481 556488869 /nfs/dbraw/zinc/48/88/69/556488869.db2.gz TYHCKQIXXFAOLJ-UHFFFAOYSA-N 0 0 441.527 5.076 50 0 IKAARN CN1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@@H](c2ccccc2)C1 ZINC000030030388 556489877 /nfs/dbraw/zinc/48/98/77/556489877.db2.gz JMLHZWJXPNEONG-OAQYLSRUSA-N 0 0 441.453 5.022 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000013149263 556490907 /nfs/dbraw/zinc/49/09/07/556490907.db2.gz BUZUHPLEESNFGI-CYBMUJFWSA-N 0 0 441.578 5.817 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000030180641 556491267 /nfs/dbraw/zinc/49/12/67/556491267.db2.gz COOYZKLVGSZCKZ-UHFFFAOYSA-N 0 0 435.911 5.018 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[C@@H]3OC(=O)c4ccccc43)nc21 ZINC000013149862 556491567 /nfs/dbraw/zinc/49/15/67/556491567.db2.gz VZQFBPVHELPJDL-FQEVSTJZSA-N 0 0 428.513 5.440 50 0 IKAARN COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000013149839 556491601 /nfs/dbraw/zinc/49/16/01/556491601.db2.gz GYXXZAQFDNYRCK-UHFFFAOYSA-N 0 0 435.263 5.108 50 0 IKAARN FC(F)(F)c1cccc(Cc2noc(CN3CCCC[C@H]3CCc3ccccn3)n2)c1 ZINC000015064454 556491683 /nfs/dbraw/zinc/49/16/83/556491683.db2.gz FYGPCVMMIZSISI-FQEVSTJZSA-N 0 0 430.474 5.062 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc4cc(C)c5ccccc5n43)n2)cc1 ZINC000013149931 556492055 /nfs/dbraw/zinc/49/20/55/556492055.db2.gz KSBLOCODMPFZJK-UHFFFAOYSA-N 0 0 445.573 5.354 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3F)cc2CN[C@@H](C)c2nc(C)sc2C)cc1 ZINC000015064525 556492109 /nfs/dbraw/zinc/49/21/09/556492109.db2.gz XJOMGUYKZYSCRX-HNNXBMFYSA-N 0 0 436.556 5.611 50 0 IKAARN O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000013150446 556492222 /nfs/dbraw/zinc/49/22/22/556492222.db2.gz MALBFYREPWQSCS-UHFFFAOYSA-N 0 0 431.916 5.401 50 0 IKAARN CC(C)(C)c1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc(F)cc1)S2 ZINC000013150363 556492339 /nfs/dbraw/zinc/49/23/39/556492339.db2.gz RFIBXOJAGMSISK-SJLPKXTDSA-N 0 0 430.936 5.010 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCCCc3nc(-c4ccccc4)no3)cc12 ZINC000013150204 556492344 /nfs/dbraw/zinc/49/23/44/556492344.db2.gz BENGAORTAFLGQX-UHFFFAOYSA-N 0 0 444.516 5.235 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2cccc(Br)c2)N[C@H]1c1cccc(Br)c1 ZINC000013154601 556493283 /nfs/dbraw/zinc/49/32/83/556493283.db2.gz QLAGUGWBFPPFDV-FRVJLOGJSA-N 0 0 437.175 5.439 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000030392216 556493999 /nfs/dbraw/zinc/49/39/99/556493999.db2.gz GPGYICRIJREMIR-UHFFFAOYSA-N 0 0 446.478 5.841 50 0 IKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000030476604 556495138 /nfs/dbraw/zinc/49/51/38/556495138.db2.gz NTMAQJWAYLOESE-UHFFFAOYSA-N 0 0 436.577 5.391 50 0 IKAARN CC(C)C(=O)N1CCOc2c(cc(-c3cccc(Cl)c3)cc2OCc2ccco2)C1 ZINC000015070917 556495813 /nfs/dbraw/zinc/49/58/13/556495813.db2.gz WVWUDEDNWKUPQL-UHFFFAOYSA-N 0 0 425.912 5.556 50 0 IKAARN Cc1ccc(-c2ccsc2C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000013165239 556498302 /nfs/dbraw/zinc/49/83/02/556498302.db2.gz ANYRONPIXWJMQE-UHFFFAOYSA-N 0 0 435.574 5.422 50 0 IKAARN CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccco1 ZINC000013165374 556498373 /nfs/dbraw/zinc/49/83/73/556498373.db2.gz RJQDORNHXROCNX-HXUWFJFHSA-N 0 0 434.521 5.039 50 0 IKAARN CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000015075132 556498872 /nfs/dbraw/zinc/49/88/72/556498872.db2.gz XCRGKAIUPIIPNX-HNNXBMFYSA-N 0 0 437.462 5.088 50 0 IKAARN Cc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000004416846 556499049 /nfs/dbraw/zinc/49/90/49/556499049.db2.gz CAGGSVILUPYNMZ-UHFFFAOYSA-N 0 0 436.640 7.398 50 0 biogenic IKAARN CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2ccc(-c3ncc[nH]3)s2)C1 ZINC000015075820 556499135 /nfs/dbraw/zinc/49/91/35/556499135.db2.gz OVMUZVVQKNWJIS-ZYJSVEMRSA-N 0 0 449.576 5.027 50 0 IKAARN CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2ccc(-c3ncc[nH]3)s2)C1 ZINC000015075822 556499183 /nfs/dbraw/zinc/49/91/83/556499183.db2.gz OVMUZVVQKNWJIS-GZKVFJCDSA-N 0 0 449.576 5.027 50 0 IKAARN CCOc1ccc([C@H](C)NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC ZINC000032707995 556500674 /nfs/dbraw/zinc/50/06/74/556500674.db2.gz CYCCHYDOSPAISW-INIZCTEOSA-N 0 0 447.622 5.219 50 0 IKAARN COc1ccc2o/c(=N\c3ccc(Cl)cc3Cl)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000004417652 556501003 /nfs/dbraw/zinc/50/10/03/556501003.db2.gz RFZRMDHPHBAFBN-NFFVHWSESA-N 0 0 436.298 6.524 50 0 IKAARN c1cncc(Oc2cccc(Oc3cccc(Oc4cccc(Oc5cccnc5)c4)c3)c2)c1 ZINC000013282877 556501727 /nfs/dbraw/zinc/50/17/27/556501727.db2.gz KZONAHPFSSKHCW-UHFFFAOYSA-N 0 0 448.478 7.646 50 0 IKAARN 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 ZINC000013298703 556501796 /nfs/dbraw/zinc/50/17/96/556501796.db2.gz PMBSWZWCNKVWLV-RDADVLQYSA-N 0 0 442.684 7.139 50 0 IKAARN O=C(c1ccncc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000013301239 556501827 /nfs/dbraw/zinc/50/18/27/556501827.db2.gz SEHDOBWHDBZZQU-NRLPKAJVSA-N 0 0 429.470 5.797 50 0 IKAARN COc1cc([C@@H]2SC(c3ccccc3)=Nc3c2c(C)nn3-c2ccc(F)cc2)ccc1O ZINC000015084894 556502265 /nfs/dbraw/zinc/50/22/65/556502265.db2.gz BSGHOHBOPYHINF-QHCPKHFHSA-N 0 0 445.519 5.949 50 0 IKAARN O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)cc2)c2c(Nc3ccccc3)n[nH]c2N1 ZINC000015085105 556502313 /nfs/dbraw/zinc/50/23/13/556502313.db2.gz ANIAFWJZVNPTEE-FQEVSTJZSA-N 0 0 444.922 5.860 50 0 IKAARN O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 ZINC000015085152 556502317 /nfs/dbraw/zinc/50/23/17/556502317.db2.gz ZXNUVAGMFKFYEO-FQEVSTJZSA-N 0 0 428.467 5.346 50 0 IKAARN COc1ccc(OC)c([C@@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)c1 ZINC000013306256 556502416 /nfs/dbraw/zinc/50/24/16/556502416.db2.gz DFNUKLWOIVJRSG-QHCPKHFHSA-N 0 0 443.528 5.236 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000013382005 556503691 /nfs/dbraw/zinc/50/36/91/556503691.db2.gz IPMDGAWFOPGSPG-YKSBVNFPSA-N 0 0 438.886 5.739 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)ccc1OC ZINC000004554740 556503941 /nfs/dbraw/zinc/50/39/41/556503941.db2.gz YTWHFQUXBVUVIA-QVKFZJNVSA-N 0 0 428.598 6.125 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1cccc(O)c1)CC(=O)N2 ZINC000015107048 556504263 /nfs/dbraw/zinc/50/42/63/556504263.db2.gz UGIUTYLERCCEAR-INIZCTEOSA-N 0 0 446.450 5.507 50 0 IKAARN COc1cccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)c1 ZINC000015106741 556504280 /nfs/dbraw/zinc/50/42/80/556504280.db2.gz FFUSEZXTRUETLF-KRWDZBQOSA-N 0 0 426.925 5.445 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000004555226 556505458 /nfs/dbraw/zinc/50/54/58/556505458.db2.gz MYHZZPOMFZRIHU-NDEPHWFRSA-N 0 0 427.544 5.236 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Cl)cc2)c(OC)c1 ZINC000013424540 556505463 /nfs/dbraw/zinc/50/54/63/556505463.db2.gz WPSNEJYWTGDACP-QFIPXVFZSA-N 0 0 427.331 6.366 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Cl)cc2)c(OC)c1 ZINC000013424541 556505530 /nfs/dbraw/zinc/50/55/30/556505530.db2.gz WPSNEJYWTGDACP-JOCHJYFZSA-N 0 0 427.331 6.366 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013463776 556506497 /nfs/dbraw/zinc/50/64/97/556506497.db2.gz OBDBBSYZODLPSX-UHFFFAOYSA-N 0 0 433.261 5.151 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncnc2scc(-c3ccccc3)c21 ZINC000015171095 556507500 /nfs/dbraw/zinc/50/75/00/556507500.db2.gz PYZJJOTYWRBQAO-UHFFFAOYSA-N 0 0 443.359 5.740 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000032881930 556508173 /nfs/dbraw/zinc/50/81/73/556508173.db2.gz NDQCVGYBJCIRFH-FQEVSTJZSA-N 0 0 431.561 5.946 50 0 IKAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Cl)cccc1Cl ZINC000015183019 556508682 /nfs/dbraw/zinc/50/86/82/556508682.db2.gz GLRMLYMFVJYXOD-UHFFFAOYSA-N 0 0 432.147 6.049 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)nc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000032883896 556509820 /nfs/dbraw/zinc/50/98/20/556509820.db2.gz RWPNNJICMCKULL-UHFFFAOYSA-N 0 0 449.864 5.182 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000030857273 556510481 /nfs/dbraw/zinc/51/04/81/556510481.db2.gz LRBOPDAWSINVEH-GFCCVEGCSA-N 0 0 437.999 5.220 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013513207 556510843 /nfs/dbraw/zinc/51/08/43/556510843.db2.gz LIVXGYDERIEEOG-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 ZINC000013518301 556511423 /nfs/dbraw/zinc/51/14/23/556511423.db2.gz WMPFMYFLWNBVST-NRFANRHFSA-N 0 0 425.488 5.031 50 0 IKAARN COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000015227324 556512447 /nfs/dbraw/zinc/51/24/47/556512447.db2.gz CIHZVFFCLJEGFN-LEAFIULHSA-N 0 0 434.495 5.601 50 0 IKAARN Cc1cc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12 ZINC000013524025 556512438 /nfs/dbraw/zinc/51/24/38/556512438.db2.gz SHGGKAQMLLHBSJ-OAQYLSRUSA-N 0 0 426.585 6.253 50 0 IKAARN FC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1 ZINC000015228901 556512645 /nfs/dbraw/zinc/51/26/45/556512645.db2.gz GRPRGYKCJKYGMQ-UHFFFAOYSA-N 0 0 449.863 7.427 50 0 IKAARN Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)c1Cl ZINC000013533560 556512892 /nfs/dbraw/zinc/51/28/92/556512892.db2.gz ISGPKGRJDDLULB-UHFFFAOYSA-N 0 0 444.159 7.480 50 0 IKAARN Oc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2)[nH]1 ZINC000013533712 556512899 /nfs/dbraw/zinc/51/28/99/556512899.db2.gz FJXZYDJIEIZRSD-UHFFFAOYSA-N 0 0 425.713 6.532 50 0 IKAARN Cc1nc2sc3c(nc(Cl)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013540020 556513505 /nfs/dbraw/zinc/51/35/05/556513505.db2.gz NWTUQCNHVCZEHS-UHFFFAOYSA-N 0 0 446.359 5.462 50 0 IKAARN O=C(Nc1cccc(CNC(=O)c2ccc(-c3cccs3)cc2F)c1)c1cccnc1 ZINC000030871314 556513785 /nfs/dbraw/zinc/51/37/85/556513785.db2.gz IKKGNQJCBBLRCV-UHFFFAOYSA-N 0 0 431.492 5.132 50 0 IKAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1Cl ZINC000015274926 556514300 /nfs/dbraw/zinc/51/43/00/556514300.db2.gz SMUAYXWMXJRNLC-UHFFFAOYSA-N 0 0 446.919 5.381 50 0 IKAARN COc1ccc(-c2nc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n[nH]2)cc1 ZINC000015277434 556514883 /nfs/dbraw/zinc/51/48/83/556514883.db2.gz FWHKVEYRAKSQIJ-FQEVSTJZSA-N 0 0 434.496 5.092 50 0 IKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000032895264 556515172 /nfs/dbraw/zinc/51/51/72/556515172.db2.gz VKZMTIRLLSDPNH-UHFFFAOYSA-N 0 0 444.869 5.331 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2Cl)s1)Nc1ccc(Cl)cc1 ZINC000013551765 556515197 /nfs/dbraw/zinc/51/51/97/556515197.db2.gz MIWXJAVIQVWCOO-UHFFFAOYSA-N 0 0 429.716 5.721 50 0 IKAARN COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000013552593 556515389 /nfs/dbraw/zinc/51/53/89/556515389.db2.gz VKQKLBGZEVXHCR-UHFFFAOYSA-N 0 0 435.321 6.190 50 0 IKAARN COc1ccc(-c2c(=O)c3cc(Cl)ccc3oc2NC(=O)Cc2cccs2)cc1 ZINC000013556726 556516766 /nfs/dbraw/zinc/51/67/66/556516766.db2.gz MXSUOYQWLJAABT-UHFFFAOYSA-N 0 0 425.893 5.365 50 0 IKAARN Cc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)COC(C)(C)C3)c1 ZINC000013557064 556517103 /nfs/dbraw/zinc/51/71/03/556517103.db2.gz CYZBWIVJDYAHBG-UHFFFAOYSA-N 0 0 433.577 5.343 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1c2ccccc2Oc2ccccc21 ZINC000030947766 556517489 /nfs/dbraw/zinc/51/74/89/556517489.db2.gz KXJYONGUNKVQPE-UHFFFAOYSA-N 0 0 442.496 5.458 50 0 IKAARN CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@@H]1CC2 ZINC000015305017 556517476 /nfs/dbraw/zinc/51/74/76/556517476.db2.gz VFXUNXVHKCKVQJ-NXCFDTQHSA-N 0 0 443.628 5.938 50 0 IKAARN O=C(Nc1ccc(Br)cn1)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000030947700 556517651 /nfs/dbraw/zinc/51/76/51/556517651.db2.gz GXAPQZBHCHVEFX-UHFFFAOYSA-N 0 0 430.305 5.825 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000013564190 556518184 /nfs/dbraw/zinc/51/81/84/556518184.db2.gz AWRQZCOGPCRLAZ-DENIHFKCSA-N 0 0 427.342 5.278 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1ccccc1C(F)(F)F ZINC000013563976 556518310 /nfs/dbraw/zinc/51/83/10/556518310.db2.gz PMHVAFXMPTXZLR-UHFFFAOYSA-N 0 0 437.421 5.202 50 0 IKAARN Fc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1 ZINC000013564304 556518335 /nfs/dbraw/zinc/51/83/35/556518335.db2.gz UFFUBLZQCUYPBG-UHFFFAOYSA-N 0 0 427.704 6.966 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc5ccccc5cc4OC)c3)nn12 ZINC000013565496 556518526 /nfs/dbraw/zinc/51/85/26/556518526.db2.gz IIYXHIOUVZOUIK-UHFFFAOYSA-N 0 0 443.532 5.138 50 0 IKAARN CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ncccn4)cc3)cc2)no1 ZINC000072295290 556519592 /nfs/dbraw/zinc/51/95/92/556519592.db2.gz ILTYWTDGNNLORW-UHFFFAOYSA-N 0 0 429.480 5.160 50 0 IKAARN O=C(COc1ccc(Br)cc1Cl)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074545 556519638 /nfs/dbraw/zinc/51/96/38/556519638.db2.gz RAFAFJKKUPSAIS-UHFFFAOYSA-N 0 0 445.744 5.279 50 0 IKAARN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000072295533 556519681 /nfs/dbraw/zinc/51/96/81/556519681.db2.gz FETLXLYCTGWCEI-UHFFFAOYSA-N 0 0 449.554 5.688 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000003093627 556520486 /nfs/dbraw/zinc/52/04/86/556520486.db2.gz KNYNLLZRBFTYIA-UHFFFAOYSA-N 0 0 443.506 6.419 50 0 IKAARN Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000072295966 556520836 /nfs/dbraw/zinc/52/08/36/556520836.db2.gz UQUJOQNMHOPIJU-JOCHJYFZSA-N 0 0 439.534 6.544 50 0 IKAARN Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)[C@H]1CCCc2ccccc21 ZINC000072295967 556520918 /nfs/dbraw/zinc/52/09/18/556520918.db2.gz UQUJOQNMHOPIJU-QFIPXVFZSA-N 0 0 439.534 6.544 50 0 IKAARN CCCCOc1ccc([C@H](CC(=O)c2ccc(OC)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000003100908 556521205 /nfs/dbraw/zinc/52/12/05/556521205.db2.gz FLGCDOAHROWSES-VWLOTQADSA-N 0 0 437.967 6.954 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1ccccc1C(=O)OCC(Cl)=C(Cl)Cl ZINC000003105973 556521904 /nfs/dbraw/zinc/52/19/04/556521904.db2.gz WEDSUHRMLGEIGJ-UHFFFAOYSA-N 0 0 441.723 5.591 50 0 IKAARN COc1ccc2ccccc2c1[C@@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC(C)C ZINC000003102025 556522172 /nfs/dbraw/zinc/52/21/72/556522172.db2.gz QGJWMXIVHLJMKM-RUZDIDTESA-N 0 0 444.531 5.341 50 0 IKAARN C[C@H]1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2cccc(C(F)(F)F)c2)S1 ZINC000003103148 556522488 /nfs/dbraw/zinc/52/24/88/556522488.db2.gz XIUVAQVUIOBRLH-JTQLQIEISA-N 0 0 431.842 6.028 50 0 IKAARN CN(C(=O)c1ccccc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015354870 556522780 /nfs/dbraw/zinc/52/27/80/556522780.db2.gz OBJCBJYCHQDCMX-UHFFFAOYSA-N 0 0 446.890 5.629 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000015355491 556522785 /nfs/dbraw/zinc/52/27/85/556522785.db2.gz XFYPDGZNLUXZPE-UHFFFAOYSA-N 0 0 435.789 5.107 50 0 IKAARN CC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1-c1ccccc1 ZINC000015356246 556522890 /nfs/dbraw/zinc/52/28/90/556522890.db2.gz GMIYPPDAGFNICF-UHFFFAOYSA-N 0 0 437.521 5.457 50 0 IKAARN O=C(CNc1ccccc1N1CCCC1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000015361405 556523216 /nfs/dbraw/zinc/52/32/16/556523216.db2.gz AWWNFPKNZJXGOO-UHFFFAOYSA-N 0 0 447.149 5.478 50 0 IKAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000072300835 556523590 /nfs/dbraw/zinc/52/35/90/556523590.db2.gz VAGHIVIYRWXHHQ-HPGBDJQBSA-N 0 0 432.895 5.171 50 0 IKAARN O=C(Cc1ccccc1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc2ccccc21 ZINC000013573349 556523732 /nfs/dbraw/zinc/52/37/32/556523732.db2.gz PBNSPXKUIIQXLH-UHFFFAOYSA-N 0 0 439.898 6.448 50 0 IKAARN CCCN(C(=O)c1nc(-c2cccs2)oc1C)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000072300885 556523895 /nfs/dbraw/zinc/52/38/95/556523895.db2.gz RCQWKQRPVFYADU-HSZRJFAPSA-N 0 0 449.551 6.196 50 0 IKAARN CCN(C(=O)CCc1ccco1)c1ccc(NC(=O)CCc2ccco2)c(C(F)(F)F)c1 ZINC000072300883 556523930 /nfs/dbraw/zinc/52/39/30/556523930.db2.gz GWDIVBRDHVXGIC-UHFFFAOYSA-N 0 0 448.441 5.448 50 0 IKAARN O=C(Nc1cccc(N(CC2CC2)C(=O)c2cc(F)cc(F)c2)c1)c1cc(F)cc(F)c1 ZINC000072300876 556523956 /nfs/dbraw/zinc/52/39/56/556523956.db2.gz TVESTGJOHVDTBS-UHFFFAOYSA-N 0 0 442.412 5.552 50 0 IKAARN COc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412179 556524889 /nfs/dbraw/zinc/52/48/89/556524889.db2.gz LTRRCRTVRGGQTD-HHHXNRCGSA-N 0 0 442.559 5.557 50 0 IKAARN COc1ccc([C@@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412683 556525407 /nfs/dbraw/zinc/52/54/07/556525407.db2.gz IPDKDJXTILUIPU-XMMPIXPASA-N 0 0 434.923 5.087 50 0 IKAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000015412590 556525446 /nfs/dbraw/zinc/52/54/46/556525446.db2.gz SHBXTTNGXUQLFX-MUUNZHRXSA-N 0 0 440.587 6.165 50 0 IKAARN Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccncc2)n1 ZINC000072301737 556525743 /nfs/dbraw/zinc/52/57/43/556525743.db2.gz LOIUVZPGYRMAEX-OAQYLSRUSA-N 0 0 425.536 5.967 50 0 IKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1F ZINC000015412855 556525729 /nfs/dbraw/zinc/52/57/29/556525729.db2.gz XFGMPIODKJCJNQ-DXCHCPKQSA-N 0 0 428.507 5.294 50 0 IKAARN CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000015413324 556526035 /nfs/dbraw/zinc/52/60/35/556526035.db2.gz VECNRJQZDUNDER-VWLOTQADSA-N 0 0 430.573 5.455 50 0 IKAARN COc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015413077 556526061 /nfs/dbraw/zinc/52/60/61/556526061.db2.gz RWIWMDCUMXKKKF-AREMUKBSSA-N 0 0 428.532 5.248 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000013582455 556528418 /nfs/dbraw/zinc/52/84/18/556528418.db2.gz OHFZIHNKUSKIPS-DEOSSOPVSA-N 0 0 426.903 6.592 50 0 IKAARN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)c1ccccc1 ZINC000015441654 556528426 /nfs/dbraw/zinc/52/84/26/556528426.db2.gz HZFWSEIBXDBIBR-UHFFFAOYSA-N 0 0 429.589 5.710 50 0 IKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1nc(Cl)ccc1Cl ZINC000032900592 556529379 /nfs/dbraw/zinc/52/93/79/556529379.db2.gz WFKFZFKNURVCCB-AWEZNQCLSA-N 0 0 428.319 5.474 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(Br)ccc2F)c1 ZINC000032900633 556529387 /nfs/dbraw/zinc/52/93/87/556529387.db2.gz JPLMFXJLCSNVRG-UHFFFAOYSA-N 0 0 428.261 5.485 50 0 IKAARN COc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000013591729 556529688 /nfs/dbraw/zinc/52/96/88/556529688.db2.gz ZGUXNULHZNKICW-VHRAYMLOSA-N 0 0 426.516 5.140 50 0 IKAARN Cc1ccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)cc1 ZINC000013595624 556531650 /nfs/dbraw/zinc/53/16/50/556531650.db2.gz QCRAKAHFAMILHC-SOUQWLJBSA-N 0 0 446.619 7.975 50 0 IKAARN Cc1ccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)cc1 ZINC000013595620 556531680 /nfs/dbraw/zinc/53/16/80/556531680.db2.gz QCRAKAHFAMILHC-TXSZGURLSA-N 0 0 446.619 7.975 50 0 IKAARN COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000013596781 556532039 /nfs/dbraw/zinc/53/20/39/556532039.db2.gz RQNKLWSCAFZYJF-UHFFFAOYSA-N 0 0 440.543 5.681 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2C)cc1OC ZINC000013597920 556532342 /nfs/dbraw/zinc/53/23/42/556532342.db2.gz LMPLYNDREBLWCV-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN Clc1ccc(-c2nnc3sc(CCc4nc5ccccc5s4)nn32)c(Cl)c1 ZINC000013607782 556533623 /nfs/dbraw/zinc/53/36/23/556533623.db2.gz LKYUJQSLXZJPBW-UHFFFAOYSA-N 0 0 432.361 5.555 50 0 IKAARN COc1ccc(Cl)cc1CN(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000015551261 556534302 /nfs/dbraw/zinc/53/43/02/556534302.db2.gz NVQICYRIHTVZJG-UHFFFAOYSA-N 0 0 443.931 5.085 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F ZINC000032901026 556535335 /nfs/dbraw/zinc/53/53/35/556535335.db2.gz ABNHTTONWHGSPX-LBPRGKRZSA-N 0 0 444.869 5.582 50 0 IKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616379 556535367 /nfs/dbraw/zinc/53/53/67/556535367.db2.gz OMKBOWOWNSAJIP-OFNKIYASSA-N 0 0 433.305 5.202 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616464 556535497 /nfs/dbraw/zinc/53/54/97/556535497.db2.gz FZRVRLNSLVYLIC-VWNXMTODSA-N 0 0 439.342 6.634 50 0 IKAARN C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616558 556535538 /nfs/dbraw/zinc/53/55/38/556535538.db2.gz SZRPHRMARURVQT-RXVVDRJESA-N 0 0 425.351 5.927 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616699 556535576 /nfs/dbraw/zinc/53/55/76/556535576.db2.gz QKMQPWRNLSJQFC-NQIIRXRSSA-N 0 0 441.350 5.762 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616695 556535580 /nfs/dbraw/zinc/53/55/80/556535580.db2.gz RNVLEJUOJYSRFI-XLIONFOSSA-N 0 0 429.314 5.892 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616691 556535625 /nfs/dbraw/zinc/53/56/25/556535625.db2.gz RNVLEJUOJYSRFI-PXNSSMCTSA-N 0 0 429.314 5.892 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013619152 556536112 /nfs/dbraw/zinc/53/61/12/556536112.db2.gz LQJFIUWHNSEFRA-NJDAHSKKSA-N 0 0 439.298 5.045 50 0 IKAARN O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032719627 556537904 /nfs/dbraw/zinc/53/79/04/556537904.db2.gz FVFFHNUKFYCLMA-UHFFFAOYSA-N 0 0 440.471 5.652 50 0 IKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631206 556539208 /nfs/dbraw/zinc/53/92/08/556539208.db2.gz NITUANUIWFIDBO-HXUWFJFHSA-N 0 0 444.575 5.961 50 0 IKAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000013632342 556539573 /nfs/dbraw/zinc/53/95/73/556539573.db2.gz RFBCSEABVNITBU-LJQANCHMSA-N 0 0 430.548 5.951 50 0 IKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013632345 556539579 /nfs/dbraw/zinc/53/95/79/556539579.db2.gz ZESOWGPHLLIGAF-LJQANCHMSA-N 0 0 430.548 5.951 50 0 IKAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1oc2c(cccc2Cl)c1C ZINC000015648111 556540518 /nfs/dbraw/zinc/54/05/18/556540518.db2.gz JDVVKOMNKPIUMT-UHFFFAOYSA-N 0 0 438.833 5.303 50 0 IKAARN CCCn1c(NC(=O)c2ccc(COc3cccc(C(F)(F)F)c3)o2)nc2ccccc21 ZINC000013640500 556542103 /nfs/dbraw/zinc/54/21/03/556542103.db2.gz JMYCFOVWTLGIDW-UHFFFAOYSA-N 0 0 443.425 5.889 50 0 IKAARN Cc1onc(C(=O)Nc2ncc(Cl)cc2Cl)c1COc1cccc(C(F)(F)F)c1 ZINC000013640932 556542118 /nfs/dbraw/zinc/54/21/18/556542118.db2.gz QCALUBCVFLBWTA-UHFFFAOYSA-N 0 0 446.212 5.535 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3onc(-c4ccc(F)cc4)c3c(C(F)(F)F)c2Cl)cc1 ZINC000013640946 556542165 /nfs/dbraw/zinc/54/21/65/556542165.db2.gz RNVMRCOAAFKTGY-UHFFFAOYSA-N 0 0 448.847 7.666 50 0 IKAARN Cc1onc(C(=O)Nc2ccccc2C(F)(F)F)c1COc1cccc(C(F)(F)F)c1 ZINC000013640942 556542210 /nfs/dbraw/zinc/54/22/10/556542210.db2.gz NIGYKNOBYJRTLS-UHFFFAOYSA-N 0 0 444.331 5.852 50 0 IKAARN CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccccc5)no4)cc3n2)cc1 ZINC000013643102 556542874 /nfs/dbraw/zinc/54/28/74/556542874.db2.gz ZILWQDWAXZIZKI-UHFFFAOYSA-N 0 0 449.436 6.256 50 0 IKAARN FC(F)(F)c1cc(-c2cccs2)nc2c(Cl)c(-c3nc(-c4ccccc4)no3)nn21 ZINC000013643108 556542892 /nfs/dbraw/zinc/54/28/92/556542892.db2.gz YZKFRPPKMRSUCH-UHFFFAOYSA-N 0 0 447.829 5.847 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccccc5)no4)cc3n2)cc1 ZINC000013643111 556542977 /nfs/dbraw/zinc/54/29/77/556542977.db2.gz ZUCWMTRAMZPAKX-UHFFFAOYSA-N 0 0 437.381 5.141 50 0 IKAARN c1ccc(Sc2ccc(-c3[nH]c(-c4ccc5c(c4)OCO5)nc3-c3ccccc3)cc2)cc1 ZINC000015685496 556543284 /nfs/dbraw/zinc/54/32/84/556543284.db2.gz YALKMARFKQFICB-UHFFFAOYSA-N 0 0 448.547 7.291 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904463 556543978 /nfs/dbraw/zinc/54/39/78/556543978.db2.gz KVTCTFAFNLAPAR-UHFFFAOYSA-N 0 0 443.572 5.995 50 0 IKAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904465 556543988 /nfs/dbraw/zinc/54/39/88/556543988.db2.gz QGJWIKHLXLGEQN-UHFFFAOYSA-N 0 0 427.504 5.281 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000015724753 556545953 /nfs/dbraw/zinc/54/59/53/556545953.db2.gz DHCXGUGCSCKQLZ-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015724805 556545981 /nfs/dbraw/zinc/54/59/81/556545981.db2.gz URRZJZMBTZOQHQ-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000015724692 556545994 /nfs/dbraw/zinc/54/59/94/556545994.db2.gz FJENJFHEDDUTOD-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000015724680 556546015 /nfs/dbraw/zinc/54/60/15/556546015.db2.gz JEUSHGOMCMNDMI-VWLOTQADSA-N 0 0 429.951 6.618 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724635 556546056 /nfs/dbraw/zinc/54/60/56/556546056.db2.gz PLHZQYGTFNERTA-OEGOZUNASA-N 0 0 443.566 5.933 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000015724757 556546066 /nfs/dbraw/zinc/54/60/66/556546066.db2.gz FNQPTROETAFMLB-FKOJCRHBSA-N 0 0 439.603 6.102 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000015724882 556546344 /nfs/dbraw/zinc/54/63/44/556546344.db2.gz NWELGSAWXZWOMB-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000015725142 556546525 /nfs/dbraw/zinc/54/65/25/556546525.db2.gz PFKHZOZXHAZHJA-RUZDIDTESA-N 0 0 447.941 6.757 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1C ZINC000015725064 556546541 /nfs/dbraw/zinc/54/65/41/556546541.db2.gz DSRXKXNSGKQLSL-RUZDIDTESA-N 0 0 447.941 6.757 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000015725205 556546578 /nfs/dbraw/zinc/54/65/78/556546578.db2.gz UTKKRKKPALWTDR-AREMUKBSSA-N 0 0 443.978 6.872 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1C ZINC000015725062 556546599 /nfs/dbraw/zinc/54/65/99/556546599.db2.gz DSRXKXNSGKQLSL-VWLOTQADSA-N 0 0 447.941 6.757 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCCCOc2ccccc2)cc1 ZINC000013658679 556546558 /nfs/dbraw/zinc/54/65/58/556546558.db2.gz TYOWPQHQAYAIBQ-HSZRJFAPSA-N 0 0 426.604 7.246 50 0 IKAARN Cc1ccccc1NC(=S)NCC1CCC(CNC(=S)Nc2ccccc2C)CC1 ZINC000013658937 556546680 /nfs/dbraw/zinc/54/66/80/556546680.db2.gz KVOJELWQPQZUEO-UHFFFAOYSA-N 0 0 440.682 5.383 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000015725224 556546803 /nfs/dbraw/zinc/54/68/03/556546803.db2.gz JIFAKZFBDDYXOA-SANMLTNESA-N 0 0 443.978 6.926 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1Cl)[C@H]3c1ccc(F)cc1 ZINC000015725376 556546817 /nfs/dbraw/zinc/54/68/17/556546817.db2.gz BOYYTTBGQZITCR-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000015725327 556546824 /nfs/dbraw/zinc/54/68/24/556546824.db2.gz ZHFAWGAFKMWYCX-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000015725225 556546847 /nfs/dbraw/zinc/54/68/47/556546847.db2.gz JIFAKZFBDDYXOA-AREMUKBSSA-N 0 0 443.978 6.926 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000015725235 556546881 /nfs/dbraw/zinc/54/68/81/556546881.db2.gz YHDQZXBZNYODAA-VWLOTQADSA-N 0 0 429.951 6.618 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F ZINC000013660839 556546852 /nfs/dbraw/zinc/54/68/52/556546852.db2.gz STGYRQHAKGNANI-PXNSSMCTSA-N 0 0 447.304 6.031 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000013661885 556546986 /nfs/dbraw/zinc/54/69/86/556546986.db2.gz QBPWGTVBKKUMAG-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000013661556 556547002 /nfs/dbraw/zinc/54/70/02/556547002.db2.gz FXDJARUSHYGKCE-XLIONFOSSA-N 0 0 429.701 5.938 50 0 IKAARN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000072302908 556547293 /nfs/dbraw/zinc/54/72/93/556547293.db2.gz YEEZVDGHAOCNSS-DEOSSOPVSA-N 0 0 438.930 5.491 50 0 IKAARN COc1cc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC ZINC000032721998 556547399 /nfs/dbraw/zinc/54/73/99/556547399.db2.gz BFFCBBGQSLYNDL-HZPDHXFCSA-N 0 0 426.538 5.235 50 0 IKAARN COc1cccc(CCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c1OC ZINC000032721816 556547495 /nfs/dbraw/zinc/54/74/95/556547495.db2.gz INRANNKFHJQYOH-JNQTWWDWSA-N 0 0 427.544 5.050 50 0 IKAARN N=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2cccc3ccccc32)S1 ZINC000015746165 556548073 /nfs/dbraw/zinc/54/80/73/556548073.db2.gz OWFHWVNHWFSGCW-ODLFYWEKSA-N 0 0 439.334 5.320 50 0 IKAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)c2c1C ZINC000032726905 556548428 /nfs/dbraw/zinc/54/84/28/556548428.db2.gz FXIVFYHQHAOCPE-UHFFFAOYSA-N 0 0 435.380 5.470 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O ZINC000032905555 556548953 /nfs/dbraw/zinc/54/89/53/556548953.db2.gz OYHCTXSVKMCOCJ-UHFFFAOYSA-N 0 0 432.907 5.259 50 0 IKAARN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)[C@@H](c2ccco2)C1 ZINC000072304658 556549232 /nfs/dbraw/zinc/54/92/32/556549232.db2.gz CWYLHHPSQUCTAH-NTKDMRAZSA-N 0 0 430.548 5.285 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000015768678 556549498 /nfs/dbraw/zinc/54/94/98/556549498.db2.gz DPMWKDLZKDEZFY-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)nn2)c1 ZINC000032996929 556550486 /nfs/dbraw/zinc/55/04/86/556550486.db2.gz JQPOXGOZOVYWOI-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000032996977 556550548 /nfs/dbraw/zinc/55/05/48/556550548.db2.gz GAURMILDOCFFAN-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996975 556550557 /nfs/dbraw/zinc/55/05/57/556550557.db2.gz ZFEDEVMMGIHIPJ-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)Nc4cccc5ccccc54)c3)nn2)c1 ZINC000032996947 556550583 /nfs/dbraw/zinc/55/05/83/556550583.db2.gz QSEFVGSXIGAEQJ-UHFFFAOYSA-N 0 0 430.511 6.601 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997143 556550842 /nfs/dbraw/zinc/55/08/42/556550842.db2.gz RNFPNQHTKDATTK-NRFANRHFSA-N 0 0 440.956 5.528 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000032997126 556550864 /nfs/dbraw/zinc/55/08/64/556550864.db2.gz IYDLSXUWESIZPO-OAQYLSRUSA-N 0 0 440.956 5.528 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)c(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997093 556550866 /nfs/dbraw/zinc/55/08/66/556550866.db2.gz LQCRHNDZCSBZQB-DEOSSOPVSA-N 0 0 448.592 5.882 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1F ZINC000015778755 556550900 /nfs/dbraw/zinc/55/09/00/556550900.db2.gz XGMWFPUKGZTFSP-FQEVSTJZSA-N 0 0 436.874 5.749 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997022 556550904 /nfs/dbraw/zinc/55/09/04/556550904.db2.gz FVIPHZNSWLLMDK-UHFFFAOYSA-N 0 0 434.474 6.432 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1F)N(C(C)=O)c1ccccc1-2 ZINC000032997177 556551094 /nfs/dbraw/zinc/55/10/94/556551094.db2.gz YCCNWOILCGYFIN-NRFANRHFSA-N 0 0 442.491 5.153 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997227 556551123 /nfs/dbraw/zinc/55/11/23/556551123.db2.gz BLRKHIDAJGOVBV-QHCPKHFHSA-N 0 0 434.565 5.608 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1F)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997462 556551463 /nfs/dbraw/zinc/55/14/63/556551463.db2.gz DUCDEOSOQKWTLL-JOCHJYFZSA-N 0 0 438.528 5.322 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997650 556551676 /nfs/dbraw/zinc/55/16/76/556551676.db2.gz NUMYVHVMXMAGJO-HSZRJFAPSA-N 0 0 434.565 5.492 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997614 556551784 /nfs/dbraw/zinc/55/17/84/556551784.db2.gz ZUYBQGIMLOQIQI-OAQYLSRUSA-N 0 0 440.594 5.553 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998243 556552288 /nfs/dbraw/zinc/55/22/88/556552288.db2.gz BXHPBPFBGQIAME-OAQYLSRUSA-N 0 0 440.956 5.481 50 0 IKAARN Cc1c(-c2cc(C(=O)NCc3ccco3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998745 556552520 /nfs/dbraw/zinc/55/25/20/556552520.db2.gz LSIBNACMVNOEET-UHFFFAOYSA-N 0 0 436.515 5.536 50 0 IKAARN CCCCNC(=O)c1cc(-c2cnn(-c3ccc(OC)cc3)c2C)nc2ccc(C)cc21 ZINC000032998722 556552524 /nfs/dbraw/zinc/55/25/24/556552524.db2.gz QFCWTZDSHINVII-UHFFFAOYSA-N 0 0 428.536 5.243 50 0 IKAARN Cc1c(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998559 556552556 /nfs/dbraw/zinc/55/25/56/556552556.db2.gz XAYCAHKRNORUNS-UHFFFAOYSA-N 0 0 440.453 5.926 50 0 IKAARN Cc1c(-c2cc(C(=O)Nc3cccc(C)c3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998605 556552571 /nfs/dbraw/zinc/55/25/71/556552571.db2.gz XZSDKTLQKXVUEV-UHFFFAOYSA-N 0 0 436.490 6.096 50 0 IKAARN CCOc1cc(C=C2SC(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000015800200 556552777 /nfs/dbraw/zinc/55/27/77/556552777.db2.gz RYQMAOQQSBDAIR-UNOMPAQXSA-N 0 0 447.940 5.137 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033048620 556553537 /nfs/dbraw/zinc/55/35/37/556553537.db2.gz ROLLFGBPPTVQLA-QFIPXVFZSA-N 0 0 429.495 5.693 50 0 IKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000033048664 556553553 /nfs/dbraw/zinc/55/35/53/556553553.db2.gz OVUPKQWNTKGVHZ-LJQANCHMSA-N 0 0 441.384 5.414 50 0 IKAARN CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000015833071 556554921 /nfs/dbraw/zinc/55/49/21/556554921.db2.gz CPAAIKFIVBVSSE-UHFFFAOYSA-N 0 0 434.923 6.554 50 0 IKAARN COc1ccc(-c2nc(CNC(=O)c3sc4cc(C)ccc4c3Cl)cs2)cc1 ZINC000015832772 556554957 /nfs/dbraw/zinc/55/49/57/556554957.db2.gz KYKGLEZDSCQIMF-UHFFFAOYSA-N 0 0 428.966 5.925 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000015832445 556554961 /nfs/dbraw/zinc/55/49/61/556554961.db2.gz AMPYBHLAJUYUPS-UHFFFAOYSA-N 0 0 427.323 5.557 50 0 IKAARN O=C(Nc1ccccc1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 ZINC000015835350 556555246 /nfs/dbraw/zinc/55/52/46/556555246.db2.gz ICXFBKDWKWSUOA-UHFFFAOYSA-N 0 0 429.570 6.172 50 0 IKAARN O=C(Nc1ccccn1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 ZINC000015835356 556555251 /nfs/dbraw/zinc/55/52/51/556555251.db2.gz HYRZDDUDRTUPEI-UHFFFAOYSA-N 0 0 430.558 5.567 50 0 IKAARN Cc1ccc(Sc2cnc(SCc3ccccc3)nc2C(=O)Nc2cccnc2)cc1 ZINC000015835358 556555278 /nfs/dbraw/zinc/55/52/78/556555278.db2.gz NFOMIUUGDBMYPS-UHFFFAOYSA-N 0 0 444.585 5.876 50 0 IKAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1cccc2ccccc21 ZINC000015837137 556555630 /nfs/dbraw/zinc/55/56/30/556555630.db2.gz YECANEYBTSHONY-UHFFFAOYSA-N 0 0 435.524 5.118 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)c2cccnc2)CCCC4)c1 ZINC000033115699 556555652 /nfs/dbraw/zinc/55/56/52/556555652.db2.gz AKSDPKXRYXQYMV-VWLOTQADSA-N 0 0 439.584 5.866 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)[C@H]2CCCO2)CCCC4)c1 ZINC000033115704 556555670 /nfs/dbraw/zinc/55/56/70/556555670.db2.gz SCIYNSCIZOVHGH-ISKFKSNPSA-N 0 0 432.589 5.337 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccccc2Cl)cc1 ZINC000033115656 556555692 /nfs/dbraw/zinc/55/56/92/556555692.db2.gz CWOQFDOLZGERNV-RUZDIDTESA-N 0 0 448.975 5.733 50 0 IKAARN O=C(C1CCCCC1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033115677 556555727 /nfs/dbraw/zinc/55/57/27/556555727.db2.gz QEMKZHDRHRCROM-VWLOTQADSA-N 0 0 430.617 6.430 50 0 IKAARN COc1ccc(Oc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2)cc1 ZINC000033115898 556556069 /nfs/dbraw/zinc/55/60/69/556556069.db2.gz ITPHBXMWLYDXNE-LJQANCHMSA-N 0 0 441.487 5.366 50 0 IKAARN CCCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 ZINC000015838636 556556159 /nfs/dbraw/zinc/55/61/59/556556159.db2.gz HOVSXNUCGIVZGH-UHFFFAOYSA-N 0 0 442.309 5.334 50 0 IKAARN COc1ccc(Oc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)cc1 ZINC000033115902 556556176 /nfs/dbraw/zinc/55/61/76/556556176.db2.gz IOHZDROUBMCSDJ-GOSISDBHSA-N 0 0 427.460 5.058 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000072305827 556556699 /nfs/dbraw/zinc/55/66/99/556556699.db2.gz WHQNZVCAMURVBQ-INIZCTEOSA-N 0 0 430.474 6.048 50 0 IKAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000015842300 556556990 /nfs/dbraw/zinc/55/69/90/556556990.db2.gz JNHXPBNEEQJJFH-UHFFFAOYSA-N 0 0 436.288 5.254 50 0 IKAARN Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)s1 ZINC000032905927 556557029 /nfs/dbraw/zinc/55/70/29/556557029.db2.gz HGYLZFJAVKWDMM-MRVPVSSYSA-N 0 0 429.354 5.236 50 0 IKAARN Cc1c(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000033258096 556557352 /nfs/dbraw/zinc/55/73/52/556557352.db2.gz BWYHCFHYBPQOJH-UHFFFAOYSA-N 0 0 436.490 5.465 50 0 IKAARN FC(F)(F)c1nc2ccccc2c(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)n1 ZINC000032906014 556557302 /nfs/dbraw/zinc/55/73/02/556557302.db2.gz AIBVJYSNGYIILL-CYBMUJFWSA-N 0 0 445.495 5.346 50 0 IKAARN FC(F)(F)c1nc2ccccc2c(SC[C@H]2CSc3nnc(-c4ccccc4)n32)n1 ZINC000032906015 556557366 /nfs/dbraw/zinc/55/73/66/556557366.db2.gz AIBVJYSNGYIILL-ZDUSSCGKSA-N 0 0 445.495 5.346 50 0 IKAARN Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)no2)cc1 ZINC000032905993 556557381 /nfs/dbraw/zinc/55/73/81/556557381.db2.gz CBDORNOXPDXXCP-UHFFFAOYSA-N 0 0 426.501 5.036 50 0 IKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccccc2Cl)n1 ZINC000015856881 556557570 /nfs/dbraw/zinc/55/75/70/556557570.db2.gz CYCQMXIJFMCIFX-UHFFFAOYSA-N 0 0 433.714 6.076 50 0 IKAARN CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccco2)CC1 ZINC000015860073 556558569 /nfs/dbraw/zinc/55/85/69/556558569.db2.gz WAUVMBRNMIEXTM-QHCPKHFHSA-N 0 0 433.552 5.016 50 0 IKAARN Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CCC(C)CC2)o1 ZINC000015860487 556558657 /nfs/dbraw/zinc/55/86/57/556558657.db2.gz SSQZXGSQWYYSME-SFHVURJKSA-N 0 0 431.001 5.968 50 0 IKAARN O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccc2ccccc2c1 ZINC000015867199 556559343 /nfs/dbraw/zinc/55/93/43/556559343.db2.gz NJEPMXGMEWTLLY-UHFFFAOYSA-N 0 0 430.489 5.228 50 0 IKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4cc5ccccc5oc4=O)n3)cc2)cc1 ZINC000015869715 556560333 /nfs/dbraw/zinc/56/03/33/556560333.db2.gz WHGZXIFNVZLIIJ-UHFFFAOYSA-N 0 0 439.427 5.261 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1ccccc1Cl ZINC000015881927 556560614 /nfs/dbraw/zinc/56/06/14/556560614.db2.gz LSKUVDCHNYQKBD-UHFFFAOYSA-N 0 0 444.347 5.096 50 0 IKAARN COc1ccccc1-c1noc([C@@H](C)Nc2nc(-c3cccs3)nc3ccccc32)n1 ZINC000072307646 556560814 /nfs/dbraw/zinc/56/08/14/556560814.db2.gz WTAPHMKKQYEDRF-CQSZACIVSA-N 0 0 429.505 5.590 50 0 IKAARN CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1 ZINC000072307381 556562301 /nfs/dbraw/zinc/56/23/01/556562301.db2.gz DUUCHJNVWAUUPV-SFHVURJKSA-N 0 0 430.957 5.644 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000015906597 556562759 /nfs/dbraw/zinc/56/27/59/556562759.db2.gz ZBRBDUITJXXVIL-LJAQVGFWSA-N 0 0 446.550 6.916 50 0 IKAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)Cn1c2ccccc2nc1SC(C)C ZINC000015912156 556563126 /nfs/dbraw/zinc/56/31/26/556563126.db2.gz NKXYDZSYFQYJIU-UHFFFAOYSA-N 0 0 443.594 5.291 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000015912960 556563163 /nfs/dbraw/zinc/56/31/63/556563163.db2.gz WQUYIBRIFGZBNA-FQEVSTJZSA-N 0 0 443.616 6.523 50 0 IKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)C=Cc4ccco4)cc2)N3)C1 ZINC000015945387 556566856 /nfs/dbraw/zinc/56/68/56/556566856.db2.gz LTXUMWFDKFJDBZ-ZIFVKHNRSA-N 0 0 448.544 5.904 50 0 IKAARN CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)CC)C3 ZINC000015946156 556567065 /nfs/dbraw/zinc/56/70/65/556567065.db2.gz RBTXLRLOHAHMCJ-XDHUDOTRSA-N 0 0 448.632 7.270 50 0 IKAARN CC[C@H](C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000033706787 556567068 /nfs/dbraw/zinc/56/70/68/556567068.db2.gz HGPNYHNXMXCPQB-JFENUBAZSA-N 0 0 436.360 6.407 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2c(F)cccc2Cl)cc1 ZINC000033708872 556567123 /nfs/dbraw/zinc/56/71/23/556567123.db2.gz JMTIOEPSSCCSQK-UGKGYDQZSA-N 0 0 431.269 6.514 50 0 IKAARN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000033763972 556567754 /nfs/dbraw/zinc/56/77/54/556567754.db2.gz BVDOYNBYYXKAGN-JFENUBAZSA-N 0 0 436.360 6.407 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015947471 556568327 /nfs/dbraw/zinc/56/83/27/556568327.db2.gz WDINJFCEZYIXJT-OVWNDWIMSA-N 0 0 433.360 6.869 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000015947581 556568352 /nfs/dbraw/zinc/56/83/52/556568352.db2.gz HKTNYGMIOSCSDY-RVCCNKLESA-N 0 0 434.517 5.514 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000015947583 556568358 /nfs/dbraw/zinc/56/83/58/556568358.db2.gz DIEFXTGMTRFZPK-PEBXRYMYSA-N 0 0 438.980 6.534 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@@H](C)C5)cc2)cc1 ZINC000015947838 556568856 /nfs/dbraw/zinc/56/88/56/556568856.db2.gz GCNAASKWBQDLSQ-IVZQSRNASA-N 0 0 432.545 5.829 50 0 IKAARN CCOC1CCN([C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)CC1 ZINC000072309119 556569330 /nfs/dbraw/zinc/56/93/30/556569330.db2.gz OOZPLCYGLOUGHZ-JOCHJYFZSA-N 0 0 439.556 5.130 50 0 IKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000015974883 556570311 /nfs/dbraw/zinc/57/03/11/556570311.db2.gz YRJSSEWHYUFVCK-CQSZACIVSA-N 0 0 432.373 5.891 50 0 IKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000015975065 556570376 /nfs/dbraw/zinc/57/03/76/556570376.db2.gz PTCNRTODXWZDHC-CQSZACIVSA-N 0 0 432.373 5.891 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccccc2OC)on1 ZINC000015974087 556570411 /nfs/dbraw/zinc/57/04/11/556570411.db2.gz PNIFOUHJPIFBNY-UHFFFAOYSA-N 0 0 448.500 5.508 50 0 IKAARN CN1c2ccc(Cl)cc2[C@H]2c3ccccc3CCN2[C@H]1c1ccc(Br)cc1 ZINC000015981519 556570874 /nfs/dbraw/zinc/57/08/74/556570874.db2.gz AMGMZTUVAGELMP-PKTZIBPZSA-N 0 0 439.784 6.199 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)nc2ccccc21 ZINC000032960756 556570885 /nfs/dbraw/zinc/57/08/85/556570885.db2.gz PHRHEICIGZSEIR-UHFFFAOYSA-N 0 0 427.548 5.421 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc2ccccc21 ZINC000032960767 556571020 /nfs/dbraw/zinc/57/10/20/556571020.db2.gz ALGCDWRMDBPWIU-UHFFFAOYSA-N 0 0 448.364 5.856 50 0 IKAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000015987172 556571137 /nfs/dbraw/zinc/57/11/37/556571137.db2.gz NQFDGJSUAALRNH-OAHLLOKOSA-N 0 0 429.945 5.766 50 0 IKAARN O=C(Nc1nc2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2s1)c1ccccc1 ZINC000032961112 556571477 /nfs/dbraw/zinc/57/14/77/556571477.db2.gz RRNXAYAADWTKRK-UHFFFAOYSA-N 0 0 425.872 5.593 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 ZINC000002848403 556572883 /nfs/dbraw/zinc/57/28/83/556572883.db2.gz JKFJOGRDVPVUMJ-LBPRGKRZSA-N 0 0 444.274 6.029 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@@H](C)O)cc4)cc3N2)cc1 ZINC000000999456 556573866 /nfs/dbraw/zinc/57/38/66/556573866.db2.gz GICSYISSFVMOKN-HEFCMCLBSA-N 0 0 444.457 5.157 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c(Cl)c(Br)c1O ZINC000001130300 556574120 /nfs/dbraw/zinc/57/41/20/556574120.db2.gz FCVHDAUZRFDGAP-LBPRGKRZSA-N 0 0 432.701 5.444 50 0 IKAARN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc2ccccc2o1 ZINC000001157999 556574207 /nfs/dbraw/zinc/57/42/07/556574207.db2.gz ZMNXJKBYSCSJBI-UHFFFAOYSA-N 0 0 429.526 5.836 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OC(C)=O)c2)sc(CC)c1-c1ccccc1 ZINC000001148845 556574263 /nfs/dbraw/zinc/57/42/63/556574263.db2.gz ZRXNFKZUAQUCJR-UHFFFAOYSA-N 0 0 437.517 5.332 50 0 IKAARN CCOc1ccccc1Nc1nnc(-c2cc3ccc(N(CC)CC)cc3oc2=O)s1 ZINC000016116060 556575484 /nfs/dbraw/zinc/57/54/84/556575484.db2.gz LSSXGDDVUKRGMA-UHFFFAOYSA-N 0 0 436.537 5.300 50 0 IKAARN O=C(NCc1ccccc1)c1ccc(Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000002870328 556575487 /nfs/dbraw/zinc/57/54/87/556575487.db2.gz ATIVNRPVVXLLPB-UHFFFAOYSA-N 0 0 436.511 5.339 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCCN(Cc2coc4ccc(Cl)cc4c2=O)[C@@H]3CCC1 ZINC000022078070 556577869 /nfs/dbraw/zinc/57/78/69/556577869.db2.gz DESGKTCCECPWDI-HSZRJFAPSA-N 0 0 432.951 5.993 50 0 IKAARN CCCOC(=O)c1c2ccccc2ncc1-c1cnc2ccccc2c1C(=O)OCCC ZINC000022590685 556578147 /nfs/dbraw/zinc/57/81/47/556578147.db2.gz IFQJISIGOGCACY-UHFFFAOYSA-N 0 0 428.488 5.584 50 0 IKAARN CN1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000022938221 556578427 /nfs/dbraw/zinc/57/84/27/556578427.db2.gz SUDIGEWKAXAVIZ-HSZRJFAPSA-N 0 0 431.561 5.083 50 0 IKAARN Cc1cc(=O)oc2c(C)c(OC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)ccc12 ZINC000016043974 556578617 /nfs/dbraw/zinc/57/86/17/556578617.db2.gz VLQKZLFAGYUIGY-UHFFFAOYSA-N 0 0 428.362 5.908 50 0 IKAARN CCn1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c2ccc(C)nc21 ZINC000016044692 556578928 /nfs/dbraw/zinc/57/89/28/556578928.db2.gz VFCGZOUIQXYFMP-UHFFFAOYSA-N 0 0 441.575 5.445 50 0 IKAARN Cc1ccccc1COc1ccccc1C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000016044509 556578984 /nfs/dbraw/zinc/57/89/84/556578984.db2.gz FBDHQTLHXJYKSB-UHFFFAOYSA-N 0 0 447.575 5.063 50 0 IKAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc12 ZINC000016045094 556579262 /nfs/dbraw/zinc/57/92/62/556579262.db2.gz QRGJOCWVERNYGQ-GWKODMSMSA-N 0 0 433.621 5.789 50 0 IKAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032910187 556580759 /nfs/dbraw/zinc/58/07/59/556580759.db2.gz NBSJGHXRPSMGBI-UHFFFAOYSA-N 0 0 427.489 5.029 50 0 IKAARN O=c1c2sccc2nc(SCc2ccccc2)n1-c1ccc(Br)cc1 ZINC000071327538 556580952 /nfs/dbraw/zinc/58/09/52/556580952.db2.gz NIHHQMIFCUOLJO-UHFFFAOYSA-N 0 0 429.364 5.502 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 ZINC000016050965 556581244 /nfs/dbraw/zinc/58/12/44/556581244.db2.gz KQAIENJGRDUEAT-UHFFFAOYSA-N 0 0 443.937 5.538 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1 ZINC000034713112 556581280 /nfs/dbraw/zinc/58/12/80/556581280.db2.gz CTUFHVGNOQZGDF-KRWDZBQOSA-N 0 0 446.931 5.090 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000032962448 556581434 /nfs/dbraw/zinc/58/14/34/556581434.db2.gz SPFGATYUQJBBBA-UHFFFAOYSA-N 0 0 440.248 6.844 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccccc4)cs3)c(F)c2)c1 ZINC000034713417 556581527 /nfs/dbraw/zinc/58/15/27/556581527.db2.gz TWJWSKRXEQJTKE-UHFFFAOYSA-N 0 0 448.519 5.467 50 0 IKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)N(C)Cc4ccccc4)cs3)c(F)c2)c1 ZINC000034713283 556581538 /nfs/dbraw/zinc/58/15/38/556581538.db2.gz LXZCREIJMVYKHZ-UHFFFAOYSA-N 0 0 446.547 6.109 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O)C1CCC1 ZINC000034735187 556581742 /nfs/dbraw/zinc/58/17/42/556581742.db2.gz MMRUZSRPZLEUKL-UHFFFAOYSA-N 0 0 447.457 5.156 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C1)=N2 ZINC000034812754 556582930 /nfs/dbraw/zinc/58/29/30/556582930.db2.gz PCXZAZDHRCAIJI-GOSISDBHSA-N 0 0 445.950 5.679 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccccc3Cl)CC1)=N2 ZINC000034812719 556582956 /nfs/dbraw/zinc/58/29/56/556582956.db2.gz VSFMDJWXTAVYMQ-UHFFFAOYSA-N 0 0 431.923 5.290 50 0 IKAARN CC[C@@]1(C)C[C@@](CCNC(=O)c2ccc(OCC(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000016115925 556584121 /nfs/dbraw/zinc/58/41/21/556584121.db2.gz UXYBJIUSAKZAAD-SVBPBHIXSA-N 0 0 441.587 5.898 50 0 IKAARN O=C(OCc1nnc(-c2cccs2)o1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000032911259 556584590 /nfs/dbraw/zinc/58/45/90/556584590.db2.gz YMZUKFHPPKWHFE-UHFFFAOYSA-N 0 0 425.080 5.164 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000034896502 556586064 /nfs/dbraw/zinc/58/60/64/556586064.db2.gz NORJLKQFPRGHIQ-IIBYNOLFSA-N 0 0 431.985 5.484 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=O)c1cccc2c(Br)cccc12 ZINC000016157642 556586053 /nfs/dbraw/zinc/58/60/53/556586053.db2.gz WHNFEJGCIRVIBQ-UHFFFAOYSA-N 0 0 433.143 6.234 50 0 IKAARN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)cc1 ZINC000016161538 556586286 /nfs/dbraw/zinc/58/62/86/556586286.db2.gz CXTHPCDEBVUELX-UHFFFAOYSA-N 0 0 425.315 6.925 50 0 IKAARN CCOC(=O)C1CCN(C(=O)/C(=C/c2cccs2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000034897689 556586370 /nfs/dbraw/zinc/58/63/70/556586370.db2.gz ITQMYZZZYRWWBA-NCELDCMTSA-N 0 0 445.584 5.757 50 0 IKAARN CCc1nnc2sc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nn12 ZINC000016162669 556586794 /nfs/dbraw/zinc/58/67/94/556586794.db2.gz GXVCJRICWNCABP-UHFFFAOYSA-N 0 0 439.544 5.186 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc32)cc1OC ZINC000016176406 556586995 /nfs/dbraw/zinc/58/69/95/556586995.db2.gz WVWKURXDNSVORV-QFIPXVFZSA-N 0 0 444.531 5.146 50 0 IKAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032967075 556587651 /nfs/dbraw/zinc/58/76/51/556587651.db2.gz JMMKJCHPDGVNLJ-DEOSSOPVSA-N 0 0 428.557 6.067 50 0 IKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032967078 556587680 /nfs/dbraw/zinc/58/76/80/556587680.db2.gz JMMKJCHPDGVNLJ-XMMPIXPASA-N 0 0 428.557 6.067 50 0 IKAARN S=c1n(CN2CCC(c3ccccc3)CC2)nc(Cc2ccccc2)n1-c1ccccc1 ZINC000016192626 556588773 /nfs/dbraw/zinc/58/87/73/556588773.db2.gz CBKVDQTYOCSCPT-UHFFFAOYSA-N 0 0 440.616 5.831 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 ZINC000016193194 556589013 /nfs/dbraw/zinc/58/90/13/556589013.db2.gz FVSVPRGMYLWPII-NTCAYCPXSA-N 0 0 430.939 6.068 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000016192956 556589045 /nfs/dbraw/zinc/58/90/45/556589045.db2.gz WAAAETNXNVUEOZ-FZKQIMNGSA-N 0 0 433.415 6.481 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2cccc(Br)c2)N[C@@H]1c1cccc(Br)c1 ZINC000036075332 556592618 /nfs/dbraw/zinc/59/26/18/556592618.db2.gz QLAGUGWBFPPFDV-CMKMFDCUSA-N 0 0 437.175 5.439 50 0 IKAARN COc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ncccc5o4)c3)o2)cc1Cl ZINC000016226911 556592843 /nfs/dbraw/zinc/59/28/43/556592843.db2.gz NFZUFGMSKRPGRA-UHFFFAOYSA-N 0 0 445.862 6.064 50 0 IKAARN COc1ccc2c(c1)nc(SCc1cc3c(cc1Cl)OCO3)cc2C(F)(F)F ZINC000016227850 556593262 /nfs/dbraw/zinc/59/32/62/556593262.db2.gz DKFVVNMYOXWOSL-UHFFFAOYSA-N 0 0 427.831 5.937 50 0 IKAARN O=C(c1c(Cl)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016247008 556594054 /nfs/dbraw/zinc/59/40/54/556594054.db2.gz MYGNHDVOHLCIRN-UHFFFAOYSA-N 0 0 425.359 5.541 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000036164398 556594339 /nfs/dbraw/zinc/59/43/39/556594339.db2.gz WZKSKJLYUBHFNW-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000032913701 556594628 /nfs/dbraw/zinc/59/46/28/556594628.db2.gz XKVNLDFQEPPRJT-UHFFFAOYSA-N 0 0 438.549 5.030 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248680 556595273 /nfs/dbraw/zinc/59/52/73/556595273.db2.gz UFDVNTFBOYYPJQ-GOSISDBHSA-N 0 0 443.540 5.416 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248700 556595601 /nfs/dbraw/zinc/59/56/01/556595601.db2.gz KYQBDNSATULERL-MRXNPFEDSA-N 0 0 433.932 5.753 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)c1C ZINC000032974508 556595763 /nfs/dbraw/zinc/59/57/63/556595763.db2.gz JUBPMWNYCQJQNW-UHFFFAOYSA-N 0 0 435.524 5.051 50 0 IKAARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)c(OC)c1 ZINC000016268751 556596051 /nfs/dbraw/zinc/59/60/51/556596051.db2.gz QIMRYLLAPZFRDQ-UHFFFAOYSA-N 0 0 436.895 6.035 50 0 IKAARN COc1cccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1 ZINC000032974916 556596468 /nfs/dbraw/zinc/59/64/68/556596468.db2.gz IOBKCUZVJJJNFJ-UHFFFAOYSA-N 0 0 425.532 5.105 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000016282660 556596721 /nfs/dbraw/zinc/59/67/21/556596721.db2.gz PABWNQFYCONCAJ-UHFFFAOYSA-N 0 0 428.944 7.331 50 0 IKAARN Cc1cc2sc(NC(=O)c3cccc4c(Br)cccc34)nc2cc1Cl ZINC000016284226 556596933 /nfs/dbraw/zinc/59/69/33/556596933.db2.gz YYNAMDWRTWYAJU-UHFFFAOYSA-N 0 0 431.742 6.426 50 0 IKAARN CSc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000032975182 556598419 /nfs/dbraw/zinc/59/84/19/556598419.db2.gz RFBPJNMHACRUDS-UHFFFAOYSA-N 0 0 428.945 5.523 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000016293423 556598597 /nfs/dbraw/zinc/59/85/97/556598597.db2.gz SPARNKMLCWCYDL-NRFANRHFSA-N 0 0 439.577 5.003 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2Cl)cc1 ZINC000016309779 556599151 /nfs/dbraw/zinc/59/91/51/556599151.db2.gz XLVSIBLCDZDCEE-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000016310523 556599271 /nfs/dbraw/zinc/59/92/71/556599271.db2.gz TWFJCFIIJRGYHQ-UHFFFAOYSA-N 0 0 435.332 5.355 50 0 IKAARN COc1ccc(OCCC(=O)Nc2nc(COc3ccc4ccccc4c3)cs2)cc1 ZINC000016320060 556600156 /nfs/dbraw/zinc/60/01/56/556600156.db2.gz TUUHGANXXPOCPX-UHFFFAOYSA-N 0 0 434.517 5.292 50 0 IKAARN c1c([C@H]2CC(c3cccnc3)=NN2c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000016319524 556600163 /nfs/dbraw/zinc/60/01/63/556600163.db2.gz UTRZUNYCCDLHFI-HHHXNRCGSA-N 0 0 442.526 5.685 50 0 IKAARN Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3cccc(Br)c3)c12 ZINC000032975761 556600339 /nfs/dbraw/zinc/60/03/39/556600339.db2.gz NZZPJUQXAVSOIV-UHFFFAOYSA-N 0 0 429.268 5.822 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000016323116 556600604 /nfs/dbraw/zinc/60/06/04/556600604.db2.gz ILHZEJYVIMDQDX-JOCHJYFZSA-N 0 0 445.950 6.207 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)nc1 ZINC000016345390 556600995 /nfs/dbraw/zinc/60/09/95/556600995.db2.gz SPIZYSDPBQJPSZ-HXUWFJFHSA-N 0 0 437.282 5.553 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cncc(Br)c2)c1)c1cccc(Cl)c1 ZINC000016346625 556601532 /nfs/dbraw/zinc/60/15/32/556601532.db2.gz FMVPEDIRLUHFCN-UHFFFAOYSA-N 0 0 430.689 5.002 50 0 IKAARN C[C@H]1CN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356908 556602044 /nfs/dbraw/zinc/60/20/44/556602044.db2.gz GLONABCHWFBQET-INIZCTEOSA-N 0 0 446.954 5.069 50 0 IKAARN Cc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)nn1Cc1ccc(Cl)cc1 ZINC000016361195 556602299 /nfs/dbraw/zinc/60/22/99/556602299.db2.gz MTZZSKSYHGBORP-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN COc1cccc(CN2c3ccccc3S/C(=C/C(=O)NCCC3=CCCCC3)C2=O)c1 ZINC000037382377 556602338 /nfs/dbraw/zinc/60/23/38/556602338.db2.gz CQZYLVOLCLVSQQ-JJIBRWJFSA-N 0 0 448.588 5.225 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000016361714 556602663 /nfs/dbraw/zinc/60/26/63/556602663.db2.gz HVOFIKBVNFBCQH-UHFFFAOYSA-N 0 0 444.918 5.966 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C)C(=O)N(C)Cc3ccccc3)c2cc1C ZINC000037397555 556602920 /nfs/dbraw/zinc/60/29/20/556602920.db2.gz BGZRDJUIXOLFSE-HXUWFJFHSA-N 0 0 429.539 5.603 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983541 556603497 /nfs/dbraw/zinc/60/34/97/556603497.db2.gz XAEZAKNCAGLXEQ-ZPZBNPFISA-N 0 0 444.918 5.519 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)n1C ZINC000016381530 556603674 /nfs/dbraw/zinc/60/36/74/556603674.db2.gz JHAWBTXJMHEKBV-UHFFFAOYSA-N 0 0 442.588 5.289 50 0 IKAARN COc1ccc(CNC(=O)C[C@@H]2c3ccccc3Sc3ccc(Cl)cc32)cc1OC ZINC000016381581 556603685 /nfs/dbraw/zinc/60/36/85/556603685.db2.gz JFZVLRJSDFKUPV-GOSISDBHSA-N 0 0 439.964 5.660 50 0 IKAARN CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)oc1C ZINC000032984649 556603821 /nfs/dbraw/zinc/60/38/21/556603821.db2.gz ITZLTSSFYUXEIV-UHFFFAOYSA-N 0 0 425.941 5.716 50 0 IKAARN CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Cl)c2)oc1C ZINC000032984648 556603829 /nfs/dbraw/zinc/60/38/29/556603829.db2.gz YQHPKRPYLLTYCN-UHFFFAOYSA-N 0 0 425.941 5.716 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000016381973 556603786 /nfs/dbraw/zinc/60/37/86/556603786.db2.gz WLVJTIJBYMJEFC-FQEVSTJZSA-N 0 0 444.600 6.246 50 0 IKAARN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)c1ccc(-c2ccccc2)cc1 ZINC000016381661 556603868 /nfs/dbraw/zinc/60/38/68/556603868.db2.gz VWIJMAJARUFQAB-UHFFFAOYSA-N 0 0 430.573 6.179 50 0 IKAARN CCOc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2C(C)C)c(C)o1 ZINC000032984662 556603854 /nfs/dbraw/zinc/60/38/54/556603854.db2.gz OHZKREPQLKJTGZ-UHFFFAOYSA-N 0 0 435.549 5.632 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CC(C)C)c(C)o2)cc1 ZINC000032984665 556603862 /nfs/dbraw/zinc/60/38/62/556603862.db2.gz LNRUFZWRIHQNNF-UHFFFAOYSA-N 0 0 449.576 5.707 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Cl)c2)oc1C ZINC000032984654 556603878 /nfs/dbraw/zinc/60/38/78/556603878.db2.gz JAXUDDGHICBNJS-UHFFFAOYSA-N 0 0 439.968 6.106 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1Cc1cccs1 ZINC000032984782 556604018 /nfs/dbraw/zinc/60/40/18/556604018.db2.gz YRLFUVKGKQSBHS-UHFFFAOYSA-N 0 0 445.569 5.762 50 0 IKAARN Fc1ccc(CSc2nc(Oc3cccc(Cl)c3)cc(C(F)(F)F)n2)cc1F ZINC000037509881 556604490 /nfs/dbraw/zinc/60/44/90/556604490.db2.gz VAHUSPBFPGZPAS-UHFFFAOYSA-N 0 0 432.801 6.512 50 0 IKAARN Fc1ccc(Oc2cc(C(F)(F)F)nc(SCc3ccccc3Cl)n2)c(F)c1 ZINC000037509551 556604540 /nfs/dbraw/zinc/60/45/40/556604540.db2.gz URHFALZDDYNHOA-UHFFFAOYSA-N 0 0 432.801 6.512 50 0 IKAARN FC(F)(F)c1cc(Oc2ccccc2Cl)nc(SCc2cccc(Cl)c2)n1 ZINC000037509684 556604605 /nfs/dbraw/zinc/60/46/05/556604605.db2.gz ZGHOVFUXAWHPSL-UHFFFAOYSA-N 0 0 431.266 6.887 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccccc2OC)nc2ccccc21 ZINC000016392230 556604612 /nfs/dbraw/zinc/60/46/12/556604612.db2.gz IHDXPXSQVGUYKL-UHFFFAOYSA-N 0 0 446.528 5.628 50 0 IKAARN O=C(Nc1nnc(-c2ccncc2)s1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000016392420 556604733 /nfs/dbraw/zinc/60/47/33/556604733.db2.gz LUIDTRISOAGLPP-UHFFFAOYSA-N 0 0 444.907 5.116 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1)C1CCCC1 ZINC000037543422 556604796 /nfs/dbraw/zinc/60/47/96/556604796.db2.gz AUYQOGRJEUVALP-UHFFFAOYSA-N 0 0 445.485 5.666 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000016392747 556604758 /nfs/dbraw/zinc/60/47/58/556604758.db2.gz WQUIXRYMFOBSLP-UHFFFAOYSA-N 0 0 436.555 6.005 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nccs3)c3cc(Cl)ccc3n2)cc1OC ZINC000016392326 556604774 /nfs/dbraw/zinc/60/47/74/556604774.db2.gz JPRQHRYIKWIWPL-UHFFFAOYSA-N 0 0 425.897 5.281 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000016393411 556604786 /nfs/dbraw/zinc/60/47/86/556604786.db2.gz QRGFHTNEJLCPLI-HSZRJFAPSA-N 0 0 445.515 6.021 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3ccc(Cl)cc32)c1 ZINC000016392615 556604795 /nfs/dbraw/zinc/60/47/95/556604795.db2.gz UWFVAGWGNPMEMS-UHFFFAOYSA-N 0 0 449.963 6.444 50 0 IKAARN O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)Nc1cccc(Cl)c1 ZINC000016398940 556604961 /nfs/dbraw/zinc/60/49/61/556604961.db2.gz NNMPNBDAXPZQOP-UHFFFAOYSA-N 0 0 440.830 5.367 50 0 IKAARN COc1ccc(-c2cc(OCC(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1 ZINC000032985611 556605084 /nfs/dbraw/zinc/60/50/84/556605084.db2.gz NYWZERXRYPWQQC-UHFFFAOYSA-N 0 0 432.907 5.890 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccccc3F)c2c1 ZINC000032985766 556605300 /nfs/dbraw/zinc/60/53/00/556605300.db2.gz TUZHRWUDSDYKPI-UHFFFAOYSA-N 0 0 444.462 5.235 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC(=O)Nc3ccccc3)c2c1 ZINC000032985869 556605470 /nfs/dbraw/zinc/60/54/70/556605470.db2.gz GRAHPOXTINENRA-UHFFFAOYSA-N 0 0 444.462 5.235 50 0 IKAARN CCOc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3c(OC)cccc23)cc1 ZINC000032985844 556605495 /nfs/dbraw/zinc/60/54/95/556605495.db2.gz SRSLQDIMRSAJQL-UHFFFAOYSA-N 0 0 428.488 5.327 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC(=O)Nc3ccccc3)c2c1 ZINC000032985853 556605536 /nfs/dbraw/zinc/60/55/36/556605536.db2.gz XHXVRTQRQLNHSE-UHFFFAOYSA-N 0 0 440.499 5.404 50 0 IKAARN O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccc(Cl)cc1 ZINC000016400745 556605826 /nfs/dbraw/zinc/60/58/26/556605826.db2.gz XCLLFKMHVVIAME-UHFFFAOYSA-N 0 0 425.815 5.611 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000032986493 556605947 /nfs/dbraw/zinc/60/59/47/556605947.db2.gz CCYZIBNFNJULPC-UHFFFAOYSA-N 0 0 430.479 6.009 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc21 ZINC000032986414 556605964 /nfs/dbraw/zinc/60/59/64/556605964.db2.gz MBDSWRRPEOPYKR-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CCOc1cc(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)ccc1OC(F)F ZINC000016419347 556605969 /nfs/dbraw/zinc/60/59/69/556605969.db2.gz HTPYFPKMPNXSRO-UHFFFAOYSA-N 0 0 449.885 5.555 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(C(C)=O)cc3)cc21 ZINC000032986504 556606023 /nfs/dbraw/zinc/60/60/23/556606023.db2.gz VJRINXHBYRZYJU-UHFFFAOYSA-N 0 0 440.499 5.764 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CCC2)C(C)(C)C)s1 ZINC000004589709 556606076 /nfs/dbraw/zinc/60/60/76/556606076.db2.gz CAUZIMMBSIBTCP-UHFFFAOYSA-N 0 0 430.589 5.152 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3ccccc3OC)cc21 ZINC000032986623 556606322 /nfs/dbraw/zinc/60/63/22/556606322.db2.gz NNXUOQCABDJMTA-UHFFFAOYSA-N 0 0 446.934 5.893 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3cccc(OC)c3)cc21 ZINC000032986626 556606507 /nfs/dbraw/zinc/60/65/07/556606507.db2.gz VIMMEHKSZMDDBK-UHFFFAOYSA-N 0 0 446.934 5.893 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21 ZINC000032986711 556606510 /nfs/dbraw/zinc/60/65/10/556606510.db2.gz BJFBQIYSXFUVBC-UHFFFAOYSA-N 0 0 444.462 5.463 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@@H]12 ZINC000016426176 556606523 /nfs/dbraw/zinc/60/65/23/556606523.db2.gz PXTKIPXFRAYYAB-SYNHAJSKSA-N 0 0 442.485 5.456 50 0 IKAARN O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)c1ccc(Cl)s1 ZINC000016429376 556607232 /nfs/dbraw/zinc/60/72/32/556607232.db2.gz VPIWIYKBWXYEJP-UHFFFAOYSA-N 0 0 435.401 6.366 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N[C@@H](C)c2ccccc2)sc1NC(=O)c1cccs1 ZINC000016447461 556607721 /nfs/dbraw/zinc/60/77/21/556607721.db2.gz BJGWUKFQMCHQPD-AWEZNQCLSA-N 0 0 442.562 5.038 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCCC1)NCc1ccco1 ZINC000016450650 556609485 /nfs/dbraw/zinc/60/94/85/556609485.db2.gz GDRWRHWGQYZZLP-UHFFFAOYSA-N 0 0 430.961 5.105 50 0 IKAARN CSCC[C@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1nc2ccccc2[nH]1 ZINC000032990912 556609679 /nfs/dbraw/zinc/60/96/79/556609679.db2.gz JTPLRXYXNZWYSE-INIZCTEOSA-N 0 0 442.635 5.209 50 0 IKAARN Cc1cc(C)c(NC(=O)Cc2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c(C)c1 ZINC000016467923 556609673 /nfs/dbraw/zinc/60/96/73/556609673.db2.gz FGUBVMIZRMPLNG-UHFFFAOYSA-N 0 0 433.621 5.970 50 0 IKAARN Cc1cc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nc(C(C)C)n1 ZINC000016454531 556609732 /nfs/dbraw/zinc/60/97/32/556609732.db2.gz VBBCHXMCGCRKQL-INIZCTEOSA-N 0 0 426.567 5.033 50 0 IKAARN CSCC[C@@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1nc2ccccc2[nH]1 ZINC000032990910 556609796 /nfs/dbraw/zinc/60/97/96/556609796.db2.gz JTPLRXYXNZWYSE-MRXNPFEDSA-N 0 0 442.635 5.209 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2s1 ZINC000016474746 556610147 /nfs/dbraw/zinc/61/01/47/556610147.db2.gz VNTMNDBQSOYJFS-UHFFFAOYSA-N 0 0 429.954 6.155 50 0 IKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000022969891 556610743 /nfs/dbraw/zinc/61/07/43/556610743.db2.gz ICMLZKZVPZZXCA-RTWAWAEBSA-N 0 0 429.564 5.151 50 0 IKAARN O=C(CCCC(=O)c1cccs1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000022969469 556610793 /nfs/dbraw/zinc/61/07/93/556610793.db2.gz QWDCDZNBDSYVQZ-UHFFFAOYSA-N 0 0 443.572 5.329 50 0 IKAARN O=C(CCc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1)N1CCCC1 ZINC000016480872 556611689 /nfs/dbraw/zinc/61/16/89/556611689.db2.gz LVLGOUGBWQVPTI-UHFFFAOYSA-N 0 0 444.600 5.786 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000016480878 556611691 /nfs/dbraw/zinc/61/16/91/556611691.db2.gz CMEMWFJKHGXIQC-VWLOTQADSA-N 0 0 447.966 5.045 50 0 IKAARN CC1(C)C[C@H](NC(=O)CCC2CCCCC2)C[C@@](C)(CNC(=O)CCC2CCCCC2)C1 ZINC000038193947 556612417 /nfs/dbraw/zinc/61/24/17/556612417.db2.gz ISCATKGXTNHYCZ-RBJSKKJNSA-N 0 0 446.720 6.525 50 0 IKAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)Nc1cccc(Cl)c1Cl ZINC000016492536 556612561 /nfs/dbraw/zinc/61/25/61/556612561.db2.gz JOVIFAZDOLMKBT-UHFFFAOYSA-N 0 0 440.355 6.334 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1cccc(F)c1)CCCC2)c1ccco1 ZINC000038550626 556614276 /nfs/dbraw/zinc/61/42/76/556614276.db2.gz XGXWUFXLMIJVLU-QHCPKHFHSA-N 0 0 447.535 6.208 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccc(F)cc1)CCCC2)c1ccco1 ZINC000038550622 556614295 /nfs/dbraw/zinc/61/42/95/556614295.db2.gz SAWMWGUMVCTYGH-QHCPKHFHSA-N 0 0 447.535 6.208 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccccc1)CCCC2)c1ccco1 ZINC000038550599 556614312 /nfs/dbraw/zinc/61/43/12/556614312.db2.gz YNUPGFXJXGMWEQ-QHCPKHFHSA-N 0 0 429.545 6.069 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)c2ccccc2C)o1 ZINC000033635798 556614523 /nfs/dbraw/zinc/61/45/23/556614523.db2.gz VQECFWZVOFFVFS-UHFFFAOYSA-N 0 0 444.575 5.020 50 0 IKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551023 556614678 /nfs/dbraw/zinc/61/46/78/556614678.db2.gz MYBBHAMWIJSPSR-DEOSSOPVSA-N 0 0 427.573 6.522 50 0 IKAARN COc1cc2c(cc1OC)CN([C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)CC2 ZINC000016554135 556615303 /nfs/dbraw/zinc/61/53/03/556615303.db2.gz QPNINFJSBXCNDN-SANMLTNESA-N 0 0 430.548 5.059 50 0 IKAARN COc1cccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)c1 ZINC000016568247 556615664 /nfs/dbraw/zinc/61/56/64/556615664.db2.gz ONAAKJFSVLACBI-UHFFFAOYSA-N 0 0 444.534 6.430 50 0 IKAARN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000016575630 556615786 /nfs/dbraw/zinc/61/57/86/556615786.db2.gz DUQSHVOMIAXOGN-UHFFFAOYSA-N 0 0 447.554 5.187 50 0 IKAARN Cc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCCC2)cc1Cl ZINC000004990782 556617241 /nfs/dbraw/zinc/61/72/41/556617241.db2.gz UXNIKBKUFKLWLC-UHFFFAOYSA-N 0 0 426.029 7.052 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)nc2c1 ZINC000016610646 556617557 /nfs/dbraw/zinc/61/75/57/556617557.db2.gz YRLBDFGBBOMNRL-SFHVURJKSA-N 0 0 428.532 6.643 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)Nc2ccc(C)cc2)C2CC2)o1 ZINC000033657570 556618941 /nfs/dbraw/zinc/61/89/41/556618941.db2.gz KQSAGNKOQWCXJG-UHFFFAOYSA-N 0 0 445.563 5.164 50 0 IKAARN CCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccccc2)s1)C1CCCCC1 ZINC000033681788 556621276 /nfs/dbraw/zinc/62/12/76/556621276.db2.gz XVIYFSZTGIAKET-UHFFFAOYSA-N 0 0 442.629 5.665 50 0 IKAARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000016671849 556621905 /nfs/dbraw/zinc/62/19/05/556621905.db2.gz PDCJTHOQEKFWCW-PKNBQFBNSA-N 0 0 436.227 6.380 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)N(c1ccc(C)cc1)C(=O)C2 ZINC000016676063 556622348 /nfs/dbraw/zinc/62/23/48/556622348.db2.gz CYMMIJUCAPMFIM-DEOSSOPVSA-N 0 0 442.342 5.998 50 0 IKAARN COc1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)ccc1OCc1ccccc1 ZINC000033693888 556622664 /nfs/dbraw/zinc/62/26/64/556622664.db2.gz SHKNYOUQAKUGJB-YBFXNURJSA-N 0 0 436.305 5.529 50 0 IKAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000016677724 556622698 /nfs/dbraw/zinc/62/26/98/556622698.db2.gz MNMIHUZGSWFPOE-QFIPXVFZSA-N 0 0 438.362 5.499 50 0 IKAARN Cc1cccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)oc3c(C)cccc3c2=O)c1 ZINC000005030924 556623191 /nfs/dbraw/zinc/62/31/91/556623191.db2.gz WEJFGSYPZNPHSX-UHFFFAOYSA-N 0 0 425.528 6.627 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315461 556623466 /nfs/dbraw/zinc/62/34/66/556623466.db2.gz IBXRTCKQEWDPCY-INIZCTEOSA-N 0 0 448.268 5.713 50 0 IKAARN CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000016681435 556623836 /nfs/dbraw/zinc/62/38/36/556623836.db2.gz JZFPWTTWLROXSR-WQRHYEAKSA-N 0 0 448.338 5.093 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000016684968 556625438 /nfs/dbraw/zinc/62/54/38/556625438.db2.gz KAJGHGQZMALQBY-INIZCTEOSA-N 0 0 432.549 5.260 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C ZINC000016685432 556625466 /nfs/dbraw/zinc/62/54/66/556625466.db2.gz XRXDQTLCSANPBH-INIZCTEOSA-N 0 0 428.989 5.135 50 0 IKAARN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)[C@H](c1ccccc1)N1CCC1=O ZINC000033710665 556625535 /nfs/dbraw/zinc/62/55/35/556625535.db2.gz MKOWFOUHENVFRT-GOTSBHOMSA-N 0 0 439.342 5.173 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)cc1C ZINC000032998826 556626354 /nfs/dbraw/zinc/62/63/54/556626354.db2.gz IPVZETQSIBSGNP-UHFFFAOYSA-N 0 0 445.519 5.392 50 0 IKAARN COC(=O)CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000038968990 556626720 /nfs/dbraw/zinc/62/67/20/556626720.db2.gz KYSALESRYJDXBT-ILBGXUMGSA-N 0 0 433.479 5.062 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4c(C)cccc4C)cc3)n2)cc1 ZINC000032998986 556626993 /nfs/dbraw/zinc/62/69/93/556626993.db2.gz PVFGXXVURUOWLU-UHFFFAOYSA-N 0 0 441.556 5.561 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)n2)cc1 ZINC000032998975 556627020 /nfs/dbraw/zinc/62/70/20/556627020.db2.gz FAMJASHMNIDZAP-UHFFFAOYSA-N 0 0 447.947 5.598 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4cccc(F)c4)cc3)n2)cc1 ZINC000032998992 556627098 /nfs/dbraw/zinc/62/70/98/556627098.db2.gz MGCKDGBUVQRUAV-UHFFFAOYSA-N 0 0 431.492 5.084 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)n2)cc1 ZINC000032998985 556627112 /nfs/dbraw/zinc/62/71/12/556627112.db2.gz YSUTUOFCJQISIK-UHFFFAOYSA-N 0 0 441.556 5.561 50 0 IKAARN Cc1cccc2c1-c1sc(C(=O)N(CCCOC(C)C)Cc3ccco3)cc1CO2 ZINC000005050013 556627178 /nfs/dbraw/zinc/62/71/78/556627178.db2.gz KYPWHJJDXKGPIJ-UHFFFAOYSA-N 0 0 425.550 5.666 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000016691525 556627306 /nfs/dbraw/zinc/62/73/06/556627306.db2.gz WGILVFNOZZELQO-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN O=C(CN(CC1CC1)C(=O)NC1CCCCC1)N(Cc1cccs1)Cc1ccccc1 ZINC000033725001 556627324 /nfs/dbraw/zinc/62/73/24/556627324.db2.gz JWQFHPNHZFXLKI-UHFFFAOYSA-N 0 0 439.625 5.031 50 0 IKAARN CC(C)[C@@H]1CC[C@]2(C)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 ZINC000039289814 556627793 /nfs/dbraw/zinc/62/77/93/556627793.db2.gz HEYPZYMGRBQTOH-BHMAJAPKSA-N 0 0 426.729 8.313 50 0 IKAARN CCCNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C)c1 ZINC000033735483 556628426 /nfs/dbraw/zinc/62/84/26/556628426.db2.gz NDQAFHQQFOBYKA-VWLOTQADSA-N 0 0 428.551 6.185 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000016695025 556628628 /nfs/dbraw/zinc/62/86/28/556628628.db2.gz VXRQHFOKAMPBHW-QGZVFWFLSA-N 0 0 444.482 5.419 50 0 IKAARN O=C(N[C@@H]1CCSc2ccccc21)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016698981 556629178 /nfs/dbraw/zinc/62/91/78/556629178.db2.gz FKQZRLIRCASIJE-HSZRJFAPSA-N 0 0 430.573 5.045 50 0 IKAARN C[C@H](C(=O)c1ccccc1)N1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016698267 556629229 /nfs/dbraw/zinc/62/92/29/556629229.db2.gz MFTMGXVFBCJAAM-JOCHJYFZSA-N 0 0 442.559 5.566 50 0 IKAARN COc1ccc(-c2cc(OC(=O)/C=C/c3ccc(Cl)cc3)cc3sc(=O)oc32)cc1 ZINC000016699759 556629468 /nfs/dbraw/zinc/62/94/68/556629468.db2.gz WXPOSZHTAMBBPG-NYYWCZLTSA-N 0 0 438.888 5.802 50 0 IKAARN CC(C)n1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2o1 ZINC000039758009 556629803 /nfs/dbraw/zinc/62/98/03/556629803.db2.gz KKOJGFKLHWMWIA-MRXNPFEDSA-N 0 0 432.549 5.342 50 0 IKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000039579408 556629854 /nfs/dbraw/zinc/62/98/54/556629854.db2.gz JVBXJTQXWYXJBP-CVDCTZTESA-N 0 0 449.304 5.420 50 0 IKAARN COc1cccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc32)c1 ZINC000039769666 556630064 /nfs/dbraw/zinc/63/00/64/556630064.db2.gz ZSWKZTDHTNLCBH-UHFFFAOYSA-N 0 0 425.488 5.575 50 0 IKAARN Cc1sc2nc(SCC(=O)c3ccccc3Cl)n(Cc3ccco3)c(=O)c2c1C ZINC000016713429 556630537 /nfs/dbraw/zinc/63/05/37/556630537.db2.gz AMJAYGNAIYTVMK-UHFFFAOYSA-N 0 0 444.965 5.345 50 0 IKAARN COc1ccc(Cl)cc1/C=C\c1ccc2cccc(OCc3ccccc3Cl)c2n1 ZINC000033756898 556630693 /nfs/dbraw/zinc/63/06/93/556630693.db2.gz RPLDQEJIKYPECO-RAXLEYEMSA-N 0 0 436.338 7.300 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037377004 556633250 /nfs/dbraw/zinc/63/32/50/556633250.db2.gz VUWNNIXZXRXZCV-QGZVFWFLSA-N 0 0 448.970 5.317 50 0 IKAARN Cc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016741412 556635154 /nfs/dbraw/zinc/63/51/54/556635154.db2.gz KAQUPRBIKBECPV-KRWDZBQOSA-N 0 0 448.009 5.001 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016741938 556635801 /nfs/dbraw/zinc/63/58/01/556635801.db2.gz MEQDVJOJROYLBQ-VWLOTQADSA-N 0 0 437.539 6.144 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H]1c3cnn(-c4ccccc4)c3OC(C)(C)[C@H]1CS2 ZINC000033800530 556636774 /nfs/dbraw/zinc/63/67/74/556636774.db2.gz QSGYPIOMMSUDJY-UNMCSNQZSA-N 0 0 428.561 5.391 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000016749743 556636839 /nfs/dbraw/zinc/63/68/39/556636839.db2.gz XPGSVKWSFQOKSM-VWLOTQADSA-N 0 0 439.511 5.370 50 0 IKAARN Cc1c2ccc(C)cc2oc1C(=O)Oc1cc2sc(=O)oc2c(-c2ccc(C)cc2)c1 ZINC000016749866 556636844 /nfs/dbraw/zinc/63/68/44/556636844.db2.gz WHFALYRCZPNWSW-UHFFFAOYSA-N 0 0 430.481 6.412 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccccc1 ZINC000016750066 556636886 /nfs/dbraw/zinc/63/68/86/556636886.db2.gz XCJMCKGUUFDNBF-UHFFFAOYSA-N 0 0 442.496 6.143 50 0 IKAARN CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCCc1ccccc1 ZINC000016750290 556637131 /nfs/dbraw/zinc/63/71/31/556637131.db2.gz SWGQHTGXEVCRIL-UHFFFAOYSA-N 0 0 448.887 5.465 50 0 IKAARN CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OC ZINC000016751141 556637363 /nfs/dbraw/zinc/63/73/63/556637363.db2.gz QTADKPMZMMXUDX-XMMPIXPASA-N 0 0 449.547 5.716 50 0 IKAARN CCc1ccc2occ(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000016753197 556638082 /nfs/dbraw/zinc/63/80/82/556638082.db2.gz RWIPAMJAUPAJQY-UHFFFAOYSA-N 0 0 438.571 5.472 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441563 556638693 /nfs/dbraw/zinc/63/86/93/556638693.db2.gz XMRDKAVIUUSTPA-NRFANRHFSA-N 0 0 448.460 5.557 50 0 IKAARN Brc1cccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 ZINC000016756273 556639174 /nfs/dbraw/zinc/63/91/74/556639174.db2.gz SDTWMIXTXUCJCR-UHFFFAOYSA-N 0 0 427.327 5.036 50 0 IKAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000097938694 556639211 /nfs/dbraw/zinc/63/92/11/556639211.db2.gz CFLDVYIVECBQTH-LJQANCHMSA-N 0 0 447.926 5.239 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2C)c1CCC(=O)Nc1cccc(C)c1 ZINC000037547069 556641352 /nfs/dbraw/zinc/64/13/52/556641352.db2.gz IYWHNULALOGPPQ-UHFFFAOYSA-N 0 0 439.559 6.470 50 0 IKAARN CCOc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 ZINC000016788848 556641981 /nfs/dbraw/zinc/64/19/81/556641981.db2.gz MLNYBBHOVUEVPK-JXMROGBWSA-N 0 0 427.573 6.447 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000016805133 556643426 /nfs/dbraw/zinc/64/34/26/556643426.db2.gz ZLNKKIUPQSRHDM-UHFFFAOYSA-N 0 0 448.932 5.171 50 0 IKAARN COC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037575760 556643475 /nfs/dbraw/zinc/64/34/75/556643475.db2.gz OCFZUDIQOXNMIB-SFHVURJKSA-N 0 0 437.845 5.322 50 0 IKAARN CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@H](O)c1ccccc1 ZINC000011713326 556643517 /nfs/dbraw/zinc/64/35/17/556643517.db2.gz KEGLDSFGTKQDLR-IBGZPJMESA-N 0 0 431.989 5.697 50 0 IKAARN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccc(Cl)c2)CC(=O)N1Cc1cccc(Cl)c1 ZINC000037575810 556643550 /nfs/dbraw/zinc/64/35/50/556643550.db2.gz QIMYRNIBCBNABG-HXUWFJFHSA-N 0 0 446.374 6.125 50 0 IKAARN Cc1cc(C)cc(N2C(=O)C(P3[C@H](C)CC[C@H]3C)=C(P3[C@H](C)CC[C@H]3C)C2=O)c1 ZINC000040450113 556643696 /nfs/dbraw/zinc/64/36/96/556643696.db2.gz ODYDZUFLMKTRIF-NCXUSEDFSA-N 0 0 429.481 6.494 50 0 IKAARN O=C1C[C@H](c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)CN1c1cccc(Cl)c1 ZINC000040454674 556643757 /nfs/dbraw/zinc/64/37/57/556643757.db2.gz XIVKMFDVTKDPKF-INIZCTEOSA-N 0 0 449.869 5.842 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)n2c1 ZINC000016806370 556643956 /nfs/dbraw/zinc/64/39/56/556643956.db2.gz BROQZTZJQRVMAY-UHFFFAOYSA-N 0 0 440.728 5.978 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1Cc1ccco1 ZINC000016806306 556643976 /nfs/dbraw/zinc/64/39/76/556643976.db2.gz QAJZLOJSBMOEOY-RUZDIDTESA-N 0 0 449.462 5.924 50 0 IKAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000016806320 556643980 /nfs/dbraw/zinc/64/39/80/556643980.db2.gz VCHCPUBJNITXQF-HSZRJFAPSA-N 0 0 444.922 5.193 50 0 IKAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)c1 ZINC000016806630 556644172 /nfs/dbraw/zinc/64/41/72/556644172.db2.gz CMSUUYGQQYRTQJ-GOSISDBHSA-N 0 0 448.588 5.190 50 0 IKAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccccc3)cc2)c1 ZINC000037555825 556644682 /nfs/dbraw/zinc/64/46/82/556644682.db2.gz GGJWSOZHENXRJB-UHFFFAOYSA-N 0 0 440.587 5.577 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccco2)cc1 ZINC000037556204 556644996 /nfs/dbraw/zinc/64/49/96/556644996.db2.gz KWSIDVMGQFBNAE-UHFFFAOYSA-N 0 0 438.527 5.294 50 0 IKAARN CC1CCN(C(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2)CC1 ZINC000037556631 556645006 /nfs/dbraw/zinc/64/50/06/556645006.db2.gz ZHGXWFIXXJDSAE-UHFFFAOYSA-N 0 0 434.511 5.067 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000037557278 556645305 /nfs/dbraw/zinc/64/53/05/556645305.db2.gz YBVPXBNODWBMCO-UHFFFAOYSA-N 0 0 430.523 5.146 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(N(Cc3cccc(F)c3)C(=O)CC(C)C)cc2)c1 ZINC000037556806 556645391 /nfs/dbraw/zinc/64/53/91/556645391.db2.gz PQZMONIHDWFBFN-UHFFFAOYSA-N 0 0 432.539 5.895 50 0 IKAARN CCCN(C)C(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000037557387 556645434 /nfs/dbraw/zinc/64/54/34/556645434.db2.gz WMKMGQMHWHTREX-UHFFFAOYSA-N 0 0 436.502 5.223 50 0 IKAARN CCOc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(Cl)c1 ZINC000016838774 556645515 /nfs/dbraw/zinc/64/55/15/556645515.db2.gz FKSSNWFRLUBBPS-UHFFFAOYSA-N 0 0 439.947 5.295 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1ccc(Cl)cc1 ZINC000016840616 556645520 /nfs/dbraw/zinc/64/55/20/556645520.db2.gz JTMAWKJURVDVSQ-UHFFFAOYSA-N 0 0 444.947 5.934 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1 ZINC000016840635 556645574 /nfs/dbraw/zinc/64/55/74/556645574.db2.gz APDJWIIDPFYOKP-UHFFFAOYSA-N 0 0 438.556 5.897 50 0 IKAARN Cc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)c2ccccc2C)CC3)cc1 ZINC000037580418 556645825 /nfs/dbraw/zinc/64/58/25/556645825.db2.gz NSDZRGUHSTYBKO-UHFFFAOYSA-N 0 0 442.563 5.075 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1cccc(F)c1 ZINC000016841162 556645871 /nfs/dbraw/zinc/64/58/71/556645871.db2.gz ROAQALVWZRWZLI-UHFFFAOYSA-N 0 0 428.492 5.419 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)c(C)c1 ZINC000016840647 556645901 /nfs/dbraw/zinc/64/59/01/556645901.db2.gz IARPOEROQQXABH-UHFFFAOYSA-N 0 0 438.556 5.897 50 0 IKAARN CCN(C)C(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1 ZINC000037588259 556645963 /nfs/dbraw/zinc/64/59/63/556645963.db2.gz CFTGVOWCJWPIHP-UHFFFAOYSA-N 0 0 445.304 5.624 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(CC)cc3)cc12 ZINC000016841694 556646103 /nfs/dbraw/zinc/64/61/03/556646103.db2.gz JKVVSCYCHYFQAH-UHFFFAOYSA-N 0 0 432.549 5.088 50 0 IKAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 ZINC000016841703 556646132 /nfs/dbraw/zinc/64/61/32/556646132.db2.gz IIGMDCAMCRZOCH-UHFFFAOYSA-N 0 0 430.577 5.615 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCC(C)C)c2)cc1 ZINC000037600739 556646217 /nfs/dbraw/zinc/64/62/17/556646217.db2.gz PGZGEMQREZABRY-UHFFFAOYSA-N 0 0 432.539 5.296 50 0 IKAARN CC(C)CNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1 ZINC000037601055 556646224 /nfs/dbraw/zinc/64/62/24/556646224.db2.gz WAKONLWBYMTDJX-UHFFFAOYSA-N 0 0 436.502 5.127 50 0 IKAARN Cc1cccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)C3CCCC3)c2)c1 ZINC000037601410 556646397 /nfs/dbraw/zinc/64/63/97/556646397.db2.gz KDUWSCKADLNZEZ-UHFFFAOYSA-N 0 0 444.550 6.039 50 0 IKAARN CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3ccccc3)nccn2n1 ZINC000016842367 556646392 /nfs/dbraw/zinc/64/63/92/556646392.db2.gz JYJVRRHYRWFDOX-UHFFFAOYSA-N 0 0 432.549 5.306 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 ZINC000016844935 556646626 /nfs/dbraw/zinc/64/66/26/556646626.db2.gz PNTPELXJSMQEIN-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN COc1ccc(C2=C(Oc3ccc(Cl)cc3Cl)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000247931128 556646678 /nfs/dbraw/zinc/64/66/78/556646678.db2.gz FUDLKRUDIGYXJQ-LJAQVGFWSA-N 0 0 447.339 6.037 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2ccc(C)cc2C)n(C)c3=O)cc1 ZINC000016846060 556646794 /nfs/dbraw/zinc/64/67/94/556646794.db2.gz QTCRASPDWBYUIB-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN CCn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1F ZINC000016845203 556646826 /nfs/dbraw/zinc/64/68/26/556646826.db2.gz NZNLDFMCVVLMOC-UHFFFAOYSA-N 0 0 439.537 5.015 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)cc1 ZINC000016846057 556646896 /nfs/dbraw/zinc/64/68/96/556646896.db2.gz USLQLHZRJLOWQY-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccc(C)cc3)csc2c1=O ZINC000016846173 556647076 /nfs/dbraw/zinc/64/70/76/556647076.db2.gz FNXSAQCTNSOBLO-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)c1 ZINC000016846481 556647110 /nfs/dbraw/zinc/64/71/10/556647110.db2.gz ZMYIQGVQODIZHT-UHFFFAOYSA-N 0 0 439.562 5.215 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016846445 556647113 /nfs/dbraw/zinc/64/71/13/556647113.db2.gz GXMDVRRONAFNHT-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000032923091 556647958 /nfs/dbraw/zinc/64/79/58/556647958.db2.gz MUQQEOMHYMISAS-HSZRJFAPSA-N 0 0 430.504 5.015 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000247975421 556651557 /nfs/dbraw/zinc/65/15/57/556651557.db2.gz CTNCNQBZFNHOCS-AGTLBBOYSA-N 0 0 449.620 5.379 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccccc1C ZINC000011757702 556651752 /nfs/dbraw/zinc/65/17/52/556651752.db2.gz VTWLUDJNWVHKLK-UHFFFAOYSA-N 0 0 425.941 5.357 50 0 IKAARN CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1cccnc1 ZINC000032925252 556652404 /nfs/dbraw/zinc/65/24/04/556652404.db2.gz ICJUTDOYCGYHSY-DEOSSOPVSA-N 0 0 440.934 5.956 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccc(F)cc2)o1 ZINC000032925241 556652524 /nfs/dbraw/zinc/65/25/24/556652524.db2.gz IEJBHLYESKCJPS-LJQANCHMSA-N 0 0 427.273 5.481 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)c3ccccc3S2)cc1 ZINC000017010591 556652658 /nfs/dbraw/zinc/65/26/58/556652658.db2.gz MGGCFHGQDZJRLS-DEOSSOPVSA-N 0 0 446.572 5.521 50 0 IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)cc1OC ZINC000011758398 556652651 /nfs/dbraw/zinc/65/26/51/556652651.db2.gz BASMUXJCMCVLBP-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN COc1ccc(/C=C\C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)cc1OC ZINC000011758383 556652671 /nfs/dbraw/zinc/65/26/71/556652671.db2.gz NVHSNTVQDJHMJC-SQFISAMPSA-N 0 0 442.471 5.354 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc3S2)cc1 ZINC000017042067 556653833 /nfs/dbraw/zinc/65/38/33/556653833.db2.gz RUXBDSFITIWLJL-QHCPKHFHSA-N 0 0 432.545 5.212 50 0 IKAARN COc1ccc(-c2csc(C(=O)Nc3ccc(OC)cc3OC)c2-n2cccc2)cc1 ZINC000038654670 556653941 /nfs/dbraw/zinc/65/39/41/556653941.db2.gz IRPOLIGULLYAPS-UHFFFAOYSA-N 0 0 434.517 5.484 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccc(F)cc1 ZINC000033000561 556653994 /nfs/dbraw/zinc/65/39/94/556653994.db2.gz LAQIHNKWGNCJIP-UHFFFAOYSA-N 0 0 427.482 5.012 50 0 IKAARN O=C(Nc1nnc(CSCc2ccccc2Cl)s1)Nc1cccc(Cl)c1 ZINC000017045021 556654103 /nfs/dbraw/zinc/65/41/03/556654103.db2.gz GSAZYPSYFGQJCH-UHFFFAOYSA-N 0 0 425.366 5.922 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3)sc2c1 ZINC000033000457 556654299 /nfs/dbraw/zinc/65/42/99/556654299.db2.gz PSGKUCSKCZHHSB-UHFFFAOYSA-N 0 0 427.595 5.710 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1)Nc1ccccc1 ZINC000033000424 556654326 /nfs/dbraw/zinc/65/43/26/556654326.db2.gz BVPMMLBQXNOARY-UHFFFAOYSA-N 0 0 437.521 5.419 50 0 IKAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1Cl ZINC000017051574 556654377 /nfs/dbraw/zinc/65/43/77/556654377.db2.gz NBIRORMLMRIXLQ-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)csc2n1 ZINC000011768163 556654667 /nfs/dbraw/zinc/65/46/67/556654667.db2.gz UHEOBLRJFUKAJD-UHFFFAOYSA-N 0 0 429.423 5.003 50 0 IKAARN CCOc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(CCC(C)C)c2C)n1 ZINC000033004632 556654690 /nfs/dbraw/zinc/65/46/90/556654690.db2.gz JENFDBALIRNMTN-UHFFFAOYSA-N 0 0 426.586 5.114 50 0 IKAARN CCOc1ccc(NC(=O)Cc2csc(-n3nc(C)c(CCC(C)C)c3C)n2)cc1 ZINC000033004628 556654709 /nfs/dbraw/zinc/65/47/09/556654709.db2.gz UOAIAIPXMYAWAG-UHFFFAOYSA-N 0 0 426.586 5.114 50 0 IKAARN O=c1[nH]c(-c2ccc(-c3ccc(Br)cc3)o2)nc2sc3c(c21)CCCC3 ZINC000017058844 556654731 /nfs/dbraw/zinc/65/47/31/556654731.db2.gz GMMGODQWVSRYCE-UHFFFAOYSA-N 0 0 427.323 5.553 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3Cl)c2)c1 ZINC000033009167 556656175 /nfs/dbraw/zinc/65/61/75/556656175.db2.gz ZXJLPUMVPWGYMP-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN CC1=CC(C)(C)N(O)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000100710960 556656333 /nfs/dbraw/zinc/65/63/33/556656333.db2.gz COEHEEHEHMQZAA-UHFFFAOYSA-N 0 0 430.571 7.417 50 0 IKAARN COc1ccc(OC)c(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1 ZINC000033008221 556657212 /nfs/dbraw/zinc/65/72/12/556657212.db2.gz KSPQMOICSZTZFO-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN COc1ccccc1NC(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(C)c1 ZINC000033008326 556657214 /nfs/dbraw/zinc/65/72/14/556657214.db2.gz MRFCNYCSJMNOCS-UHFFFAOYSA-N 0 0 432.505 5.510 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(C)c1 ZINC000033008351 556657227 /nfs/dbraw/zinc/65/72/27/556657227.db2.gz IBZOHTGPBGWKDK-UHFFFAOYSA-N 0 0 446.532 5.900 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000033009387 556657469 /nfs/dbraw/zinc/65/74/69/556657469.db2.gz SONMNUFTGILJNR-UHFFFAOYSA-N 0 0 446.526 5.308 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)NCc3ccccc3)c2)cc1 ZINC000033009366 556657486 /nfs/dbraw/zinc/65/74/86/556657486.db2.gz ZVTIXJWBGWLFLM-UHFFFAOYSA-N 0 0 428.536 5.169 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3)ncn2)c1 ZINC000033010701 556657515 /nfs/dbraw/zinc/65/75/15/556657515.db2.gz GIEZIIHJUCNRRK-NRFANRHFSA-N 0 0 436.559 5.947 50 0 IKAARN CC[C@@H](C)Sc1ccc(NC(=O)c2ccccc2OCCOC)c(C(F)(F)F)c1 ZINC000060306163 556657553 /nfs/dbraw/zinc/65/75/53/556657553.db2.gz MQXWXDUPFRTCOI-CQSZACIVSA-N 0 0 427.488 5.874 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000033009364 556657558 /nfs/dbraw/zinc/65/75/58/556657558.db2.gz KWUWEXSVWMIVRK-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN Cc1ccc(CNC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1 ZINC000033009471 556657602 /nfs/dbraw/zinc/65/76/02/556657602.db2.gz KYGBFLCMMBPYPX-UHFFFAOYSA-N 0 0 428.536 5.169 50 0 IKAARN O=C(Nc1ccccc1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCCC1 ZINC000033009668 556657607 /nfs/dbraw/zinc/65/76/07/556657607.db2.gz PMDCRZDNMTYPRG-UHFFFAOYSA-N 0 0 428.536 5.963 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(NC(=O)Nc3cccc(F)c3)c2)c1 ZINC000033009578 556657611 /nfs/dbraw/zinc/65/76/11/556657611.db2.gz FJSPYHZBSCTVEO-UHFFFAOYSA-N 0 0 446.526 6.021 50 0 IKAARN O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000017094302 556657656 /nfs/dbraw/zinc/65/76/56/556657656.db2.gz RJKOFWGHULOCBT-UHFFFAOYSA-N 0 0 425.319 5.225 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2s1 ZINC000017094532 556657686 /nfs/dbraw/zinc/65/76/86/556657686.db2.gz DKDRRRLRIKAAHD-UHFFFAOYSA-N 0 0 425.554 5.484 50 0 IKAARN COc1cccc(-c2nn(-c3ccccc3Cl)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017094297 556657699 /nfs/dbraw/zinc/65/76/99/556657699.db2.gz XYFPMHUTFSSJJF-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1F ZINC000033009461 556657668 /nfs/dbraw/zinc/65/76/68/556657668.db2.gz QICIUQWACYTNTH-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN Cc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCCC1 ZINC000033009681 556657710 /nfs/dbraw/zinc/65/77/10/556657710.db2.gz YWGPKWHRPQJREX-UHFFFAOYSA-N 0 0 442.563 6.272 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010532 556658390 /nfs/dbraw/zinc/65/83/90/556658390.db2.gz YURWZMVXRYWPNO-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)c1 ZINC000033010576 556658410 /nfs/dbraw/zinc/65/84/10/556658410.db2.gz GIADGFVVIZRMTI-LJQANCHMSA-N 0 0 438.531 5.695 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010539 556658413 /nfs/dbraw/zinc/65/84/13/556658413.db2.gz ZAUYTXINKVAIEK-LJQANCHMSA-N 0 0 440.522 5.777 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)ncn2)cc1 ZINC000033010570 556658416 /nfs/dbraw/zinc/65/84/16/556658416.db2.gz QKQXVZVOCQJROX-RUZDIDTESA-N 0 0 434.543 6.003 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010542 556658420 /nfs/dbraw/zinc/65/84/20/556658420.db2.gz ITTXPKCKAYPCNC-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)ncn2)cc1 ZINC000033010569 556658424 /nfs/dbraw/zinc/65/84/24/556658424.db2.gz SCZSYURGMANKPP-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000017095227 556658591 /nfs/dbraw/zinc/65/85/91/556658591.db2.gz JKSIXAZGKFNCSJ-ROUUACIJSA-N 0 0 426.973 5.262 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033010610 556658633 /nfs/dbraw/zinc/65/86/33/556658633.db2.gz FEOICTGDZMLZDN-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1C ZINC000017095326 556658664 /nfs/dbraw/zinc/65/86/64/556658664.db2.gz MVZRUIPMEZYHPG-UHFFFAOYSA-N 0 0 427.356 7.139 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)c1 ZINC000033010688 556658684 /nfs/dbraw/zinc/65/86/84/556658684.db2.gz SLWBEUQOPJVYSE-IBGZPJMESA-N 0 0 438.531 5.695 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N[C@@H](C)CCc4ccccc4)c3)ncn2)cc1 ZINC000033010592 556658691 /nfs/dbraw/zinc/65/86/91/556658691.db2.gz ZUJIBCJSVFZPSJ-NRFANRHFSA-N 0 0 436.559 5.947 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033010624 556658714 /nfs/dbraw/zinc/65/87/14/556658714.db2.gz FFOMIZCOIHVOCG-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN COc1ccc(NC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCC2)cc1 ZINC000033009209 556658724 /nfs/dbraw/zinc/65/87/24/556658724.db2.gz GYPVCHMMCILHJZ-UHFFFAOYSA-N 0 0 444.535 5.500 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)ncn2)c1 ZINC000033010682 556658726 /nfs/dbraw/zinc/65/87/26/556658726.db2.gz NFJFDIDPRIJFMG-RUZDIDTESA-N 0 0 434.543 6.003 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3)ncn2)cc1 ZINC000033010811 556658788 /nfs/dbraw/zinc/65/87/88/556658788.db2.gz OHONSVBDNDVJHF-VWLOTQADSA-N 0 0 434.543 6.003 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(C)c(F)c3)c2)c1 ZINC000033009247 556658813 /nfs/dbraw/zinc/65/88/13/556658813.db2.gz BIJZQYUFCXIXCB-UHFFFAOYSA-N 0 0 446.526 5.939 50 0 IKAARN CCCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 ZINC000017095337 556658819 /nfs/dbraw/zinc/65/88/19/556658819.db2.gz NRPJPIVISWKJPK-UHFFFAOYSA-N 0 0 427.382 5.454 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033010939 556659051 /nfs/dbraw/zinc/65/90/51/556659051.db2.gz RYCKAVFVRPWJIX-UHFFFAOYSA-N 0 0 426.545 5.539 50 0 IKAARN Cc1scc(C(=O)Nn2c(=O)c3c([nH]c2=S)sc(C)c3-c2ccccc2)c1C ZINC000017095572 556659111 /nfs/dbraw/zinc/65/91/11/556659111.db2.gz AJFZYVAEKKLHJA-UHFFFAOYSA-N 0 0 427.576 5.158 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010714 556659182 /nfs/dbraw/zinc/65/91/82/556659182.db2.gz IKCFXGHPXOXYPA-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000017095657 556659244 /nfs/dbraw/zinc/65/92/44/556659244.db2.gz BUYVDESMNQZDSZ-UHFFFAOYSA-N 0 0 427.935 5.518 50 0 IKAARN O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000011835124 556659336 /nfs/dbraw/zinc/65/93/36/556659336.db2.gz HAKTUTQBWKNEIH-UHFFFAOYSA-N 0 0 438.311 5.413 50 0 IKAARN CCc1ccc([C@@H](C)NC(=O)Cc2csc(COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000033011745 556659561 /nfs/dbraw/zinc/65/95/61/556659561.db2.gz GSCRUJFOAYASIJ-MRXNPFEDSA-N 0 0 428.985 5.666 50 0 IKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2cccc(OC)c2)c1-c1ccc(OC)cc1 ZINC000017095950 556659566 /nfs/dbraw/zinc/65/95/66/556659566.db2.gz CXGBZAXJBBMZPT-UHFFFAOYSA-N 0 0 428.532 5.854 50 0 IKAARN O=C(CCc1csc(NC(=O)c2ccccc2)n1)Nc1nc2ccc(Cl)cc2s1 ZINC000011835418 556659651 /nfs/dbraw/zinc/65/96/51/556659651.db2.gz PBKDCOSYLDYGDA-UHFFFAOYSA-N 0 0 442.953 5.230 50 0 IKAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc(Oc2ccccc2)c1 ZINC000011847405 556660142 /nfs/dbraw/zinc/66/01/42/556660142.db2.gz YVQFHPSYNBOILG-UHFFFAOYSA-N 0 0 440.480 5.961 50 0 IKAARN CCCCn1nc(C)c2c1nc(-c1ccc(OC(F)F)c(OC)c1)cc2C(F)(F)F ZINC000017096385 556660225 /nfs/dbraw/zinc/66/02/25/556660225.db2.gz RQSCSJBZTORJCI-UHFFFAOYSA-N 0 0 429.389 5.836 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2Cl)C1 ZINC000011847441 556660524 /nfs/dbraw/zinc/66/05/24/556660524.db2.gz OFUKKSPZMKXLAN-OAQYLSRUSA-N 0 0 435.310 6.368 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@H](c2ccccc2Cl)C1 ZINC000011847442 556660544 /nfs/dbraw/zinc/66/05/44/556660544.db2.gz OFUKKSPZMKXLAN-NRFANRHFSA-N 0 0 435.310 6.368 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1cccc(C)c1 ZINC000017096942 556660688 /nfs/dbraw/zinc/66/06/88/556660688.db2.gz GSCMLNGNQCQRDC-UHFFFAOYSA-N 0 0 430.504 5.953 50 0 IKAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4cccc(Cl)c4)c32)C1 ZINC000033012189 556660743 /nfs/dbraw/zinc/66/07/43/556660743.db2.gz LEVOLBVQAUMCJO-AWEZNQCLSA-N 0 0 429.973 5.094 50 0 IKAARN COc1ccc([C@@H]2Oc3c(c(-c4cccc(Cl)c4)c(O)c4cc(C)c(C)cc34)S2)cc1 ZINC000011851808 556661380 /nfs/dbraw/zinc/66/13/80/556661380.db2.gz LFUKBPDQLWVGLG-AREMUKBSSA-N 0 0 448.971 7.675 50 0 IKAARN CC[C@H](Sc1ccc(C)cc1)C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 ZINC000011852410 556661401 /nfs/dbraw/zinc/66/14/01/556661401.db2.gz QSBGIMSQTOHOFP-SFHVURJKSA-N 0 0 429.567 5.040 50 0 IKAARN C=Cc1ccc(Cn2nc(-c3ccc(OC)cc3)c(Cl)c2-c2ccc(OC)cc2)cc1 ZINC000017097268 556661450 /nfs/dbraw/zinc/66/14/50/556661450.db2.gz QBAKEGNCJPSJCO-UHFFFAOYSA-N 0 0 430.935 6.579 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@H]21 ZINC000100747797 556661498 /nfs/dbraw/zinc/66/14/98/556661498.db2.gz ILMDZPHZUORDBY-AUSIDOKSSA-N 0 0 447.362 5.831 50 0 biogenic IKAARN Cc1cc([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c(NC(=O)c2ccccc2)s1 ZINC000043220758 556661562 /nfs/dbraw/zinc/66/15/62/556661562.db2.gz NVZMVCALQXHURJ-QFIPXVFZSA-N 0 0 433.964 6.559 50 0 IKAARN CCCc1cc(C(=O)OC)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)s1 ZINC000017097542 556661676 /nfs/dbraw/zinc/66/16/76/556661676.db2.gz FCCLWOCPLNDUBE-UHFFFAOYSA-N 0 0 431.517 5.350 50 0 IKAARN O=C1N[C@H](c2ccccc2)Nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000017097465 556661730 /nfs/dbraw/zinc/66/17/30/556661730.db2.gz QNAIODIQDKFPSE-QGZVFWFLSA-N 0 0 431.464 5.898 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2s1 ZINC000017097746 556662279 /nfs/dbraw/zinc/66/22/79/556662279.db2.gz YYQJKNUNAIFRHX-UHFFFAOYSA-N 0 0 431.945 5.323 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000033013109 556662349 /nfs/dbraw/zinc/66/23/49/556662349.db2.gz VXCQGYKWYOFGOV-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000033012984 556662370 /nfs/dbraw/zinc/66/23/70/556662370.db2.gz JFXRZEJGECGWSF-UHFFFAOYSA-N 0 0 429.476 5.193 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000017098011 556662523 /nfs/dbraw/zinc/66/25/23/556662523.db2.gz UEXFRQWHTJTZEB-UHFFFAOYSA-N 0 0 432.527 6.016 50 0 IKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000011852783 556662612 /nfs/dbraw/zinc/66/26/12/556662612.db2.gz PBZQADVEKBCZRO-UHFFFAOYSA-N 0 0 441.537 5.903 50 0 IKAARN O=C(Nc1ccc(Br)c(Br)c1)c1ccccc1Br ZINC000017098671 556663508 /nfs/dbraw/zinc/66/35/08/556663508.db2.gz DAIVJSWVYMHSDE-UHFFFAOYSA-N 0 0 433.925 5.226 50 0 IKAARN COc1ccc(-c2coc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 ZINC000011865229 556664349 /nfs/dbraw/zinc/66/43/49/556664349.db2.gz PMHZIQXSQVHKGW-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 IKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3c(F)cccc3Cl)ccc2c1=O ZINC000011865242 556664425 /nfs/dbraw/zinc/66/44/25/556664425.db2.gz NQYZMCSWRJIDRN-UHFFFAOYSA-N 0 0 440.854 6.274 50 0 IKAARN COc1ccc(-c2coc3cc(OCc4ccc(Br)cc4)ccc3c2=O)cc1 ZINC000011865227 556664436 /nfs/dbraw/zinc/66/44/36/556664436.db2.gz IMBOXUGGPRRDNG-UHFFFAOYSA-N 0 0 437.289 5.810 50 0 IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000011865293 556664443 /nfs/dbraw/zinc/66/44/43/556664443.db2.gz VGALJMOHIJBRBC-UHFFFAOYSA-N 0 0 435.863 5.587 50 0 IKAARN COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccccc2F)cc1O ZINC000011865070 556664577 /nfs/dbraw/zinc/66/45/77/556664577.db2.gz ZUZLXAKLRANQPG-UHFFFAOYSA-N 0 0 447.466 5.259 50 0 IKAARN COc1ccc(-c2c(C)noc2-c2ccc(OC)cc2OCc2ccccc2Cl)cc1 ZINC000011865163 556664948 /nfs/dbraw/zinc/66/49/48/556664948.db2.gz YNPCHELDFMDQJU-UHFFFAOYSA-N 0 0 435.907 6.567 50 0 IKAARN 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]3CC[C@@]2(O)C1 ZINC000043758210 556665048 /nfs/dbraw/zinc/66/50/48/556665048.db2.gz XGBHFLNWQIPOQW-KPPSKRDFSA-N 0 0 446.716 7.154 50 0 IKAARN CC(C)n1c(SCc2ccc(F)cc2Cl)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017099905 556665156 /nfs/dbraw/zinc/66/51/56/556665156.db2.gz XDLUZACPQSPXGD-CYBMUJFWSA-N 0 0 436.021 6.797 50 0 IKAARN NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000017099951 556665206 /nfs/dbraw/zinc/66/52/06/556665206.db2.gz BQPVJWOINJRVBA-UHFFFAOYSA-N 0 0 436.298 5.560 50 0 IKAARN COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1COc1ccc(F)cc1 ZINC000017100237 556665208 /nfs/dbraw/zinc/66/52/08/556665208.db2.gz WVQNVZDXAWYUHQ-UHFFFAOYSA-N 0 0 436.508 5.257 50 0 IKAARN CC(C)n1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017099909 556665237 /nfs/dbraw/zinc/66/52/37/556665237.db2.gz VOVZIEBTJCOLNE-ZDUSSCGKSA-N 0 0 436.021 6.797 50 0 IKAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc(N2CCCC2)cc1 ZINC000011865520 556665296 /nfs/dbraw/zinc/66/52/96/556665296.db2.gz XOYPMUFZFYZNSK-UHFFFAOYSA-N 0 0 437.923 5.187 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)Nc4ccccc4)cc3s2)cc1 ZINC000033018317 556665533 /nfs/dbraw/zinc/66/55/33/556665533.db2.gz JAOWWKNVBYZFDL-UHFFFAOYSA-N 0 0 448.573 5.980 50 0 IKAARN O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCCc1c[nH]c2ccccc12 ZINC000011865903 556665655 /nfs/dbraw/zinc/66/56/55/556665655.db2.gz LHUCEYGXKXFRKD-UHFFFAOYSA-N 0 0 430.360 5.500 50 0 IKAARN Oc1ccc(C2(c3ccc(O)c(C4CCCCC4)c3)CCCCC2)cc1C1CCCCC1 ZINC000044069212 556665746 /nfs/dbraw/zinc/66/57/46/556665746.db2.gz DNCLEPRFPJLBTQ-UHFFFAOYSA-N 0 0 432.648 8.443 50 0 IKAARN COc1cccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)c1 ZINC000011866195 556665911 /nfs/dbraw/zinc/66/59/11/556665911.db2.gz PJIUQIFTGLWCHT-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3oc2=O)cc1 ZINC000011866194 556665983 /nfs/dbraw/zinc/66/59/83/556665983.db2.gz OCFSVOUBDROTCC-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 IKAARN COC(=O)c1c2c(sc1NC(=S)Nc1ccc(Cc3ccncc3)cc1)CCCC2 ZINC000017101602 556666063 /nfs/dbraw/zinc/66/60/63/556666063.db2.gz KDMASIZELZLPHW-UHFFFAOYSA-N 0 0 437.590 5.208 50 0 IKAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(Cl)c1 ZINC000044166389 556666160 /nfs/dbraw/zinc/66/61/60/556666160.db2.gz XERLZHXDHRJXIE-UHFFFAOYSA-N 0 0 441.361 5.132 50 0 IKAARN COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)c1 ZINC000011866305 556666189 /nfs/dbraw/zinc/66/61/89/556666189.db2.gz RRRFDVDKLABOJZ-UHFFFAOYSA-N 0 0 443.503 5.428 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000011866281 556666251 /nfs/dbraw/zinc/66/62/51/556666251.db2.gz YLSKVTHWPQIXFI-UHFFFAOYSA-N 0 0 430.298 5.372 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(Br)ccc3n2)s1 ZINC000017101957 556666282 /nfs/dbraw/zinc/66/62/82/556666282.db2.gz SNSRYJFSAFJJBA-UHFFFAOYSA-N 0 0 438.350 5.936 50 0 IKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3F)cc2O)cc1OC ZINC000011866343 556666579 /nfs/dbraw/zinc/66/65/79/556666579.db2.gz INSIIYODGBDLMQ-UHFFFAOYSA-N 0 0 435.451 5.758 50 0 IKAARN COC(=O)[C@@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 ZINC000011866613 556666750 /nfs/dbraw/zinc/66/67/50/556666750.db2.gz JXVSRWFHCGBLJV-VWLOTQADSA-N 0 0 428.484 5.294 50 0 IKAARN CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1csc2c1CCCC2 ZINC000017102737 556666974 /nfs/dbraw/zinc/66/69/74/556666974.db2.gz ADFVLVTWQFTWAV-UHFFFAOYSA-N 0 0 438.647 6.321 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)c3cc(Cl)ccc3n2)s1 ZINC000017103006 556667002 /nfs/dbraw/zinc/66/70/02/556667002.db2.gz OBCFLCDBRQOQOX-UHFFFAOYSA-N 0 0 438.984 5.493 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1ccc(F)cc1)occ3C(C)(C)C ZINC000011867408 556667268 /nfs/dbraw/zinc/66/72/68/556667268.db2.gz GANKWUPWTWWUPA-UHFFFAOYSA-N 0 0 435.495 5.186 50 0 IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc2c1C ZINC000011867409 556667301 /nfs/dbraw/zinc/66/73/01/556667301.db2.gz SMRQFTDQRPUXNG-UHFFFAOYSA-N 0 0 437.923 5.409 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCc3ccc(F)cc3)c(=O)oc12 ZINC000011867552 556667624 /nfs/dbraw/zinc/66/76/24/556667624.db2.gz LIAFEVHMQUTCRL-UHFFFAOYSA-N 0 0 435.495 5.452 50 0 IKAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C(c1ccccc1)c1ccccc1 ZINC000017112566 556667822 /nfs/dbraw/zinc/66/78/22/556667822.db2.gz VYOKIQDZKJLLHF-UHFFFAOYSA-N 0 0 428.601 6.382 50 0 IKAARN CC(C)(c1ccccc1)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 ZINC000017113028 556668086 /nfs/dbraw/zinc/66/80/86/556668086.db2.gz JGTLUMSXMXZRHI-UHFFFAOYSA-N 0 0 444.560 6.087 50 0 IKAARN Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000017113046 556668124 /nfs/dbraw/zinc/66/81/24/556668124.db2.gz CFPZSHLFNXCQJR-UHFFFAOYSA-N 0 0 442.628 6.690 50 0 IKAARN Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000017121242 556668317 /nfs/dbraw/zinc/66/83/17/556668317.db2.gz WZOYPOHTRFJYRQ-UHFFFAOYSA-N 0 0 426.904 5.228 50 0 IKAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1 ZINC000017120625 556668321 /nfs/dbraw/zinc/66/83/21/556668321.db2.gz ZPHQPRBZUCKIFQ-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(Cl)c2)c1 ZINC000017120505 556668387 /nfs/dbraw/zinc/66/83/87/556668387.db2.gz DMGGFPMBIBKNHG-UHFFFAOYSA-N 0 0 439.947 5.214 50 0 IKAARN O=C(Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1)Nc1ccccc1F ZINC000017139161 556669366 /nfs/dbraw/zinc/66/93/66/556669366.db2.gz QGYMNKCVMYGJGJ-UHFFFAOYSA-N 0 0 441.315 5.640 50 0 IKAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2OC)cc1 ZINC000017137709 556669382 /nfs/dbraw/zinc/66/93/82/556669382.db2.gz CUCVDSLXHDSRHV-UHFFFAOYSA-N 0 0 442.515 5.091 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)C1 ZINC000017143466 556669721 /nfs/dbraw/zinc/66/97/21/556669721.db2.gz PYTOSOQQQQKUPK-PHIMTYICSA-N 0 0 442.894 5.248 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2C2CCCCCC2)[C@H]1C ZINC000248159372 556669838 /nfs/dbraw/zinc/66/98/38/556669838.db2.gz NQLOBCDLLTUWMK-AEVIGOTDSA-N 0 0 439.600 5.113 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000017161156 556670834 /nfs/dbraw/zinc/67/08/34/556670834.db2.gz YIRDROMSHWIMLY-UHFFFAOYSA-N 0 0 444.141 5.918 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1C ZINC000017180175 556671700 /nfs/dbraw/zinc/67/17/00/556671700.db2.gz MOUJYGDNUQWUJG-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(OC)cc2)cc1 ZINC000017180206 556671753 /nfs/dbraw/zinc/67/17/53/556671753.db2.gz PRDMIOJBGBGMSB-UHFFFAOYSA-N 0 0 442.515 5.091 50 0 IKAARN O=C(Nc1ccccc1F)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000011916318 556673208 /nfs/dbraw/zinc/67/32/08/556673208.db2.gz SNZNATXQPIAMEZ-UHFFFAOYSA-N 0 0 436.281 5.062 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000011916500 556673210 /nfs/dbraw/zinc/67/32/10/556673210.db2.gz MJUPQWSNTGPDAP-UHFFFAOYSA-N 0 0 432.501 5.808 50 0 IKAARN Cc1cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(C)c1Cl ZINC000011916660 556673235 /nfs/dbraw/zinc/67/32/35/556673235.db2.gz JATMSTVECORNLH-MRXNPFEDSA-N 0 0 428.985 5.740 50 0 IKAARN Cc1cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(C)c1Cl ZINC000011916662 556673351 /nfs/dbraw/zinc/67/33/51/556673351.db2.gz JATMSTVECORNLH-INIZCTEOSA-N 0 0 428.985 5.740 50 0 IKAARN Cc1cc2oc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)cc(=O)c2cc1Cl ZINC000011914352 556673823 /nfs/dbraw/zinc/67/38/23/556673823.db2.gz XECXJYCMJOYMRR-UHFFFAOYSA-N 0 0 446.915 6.284 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000017265455 556674181 /nfs/dbraw/zinc/67/41/81/556674181.db2.gz VQDJVPLDKUHNOL-PXNSSMCTSA-N 0 0 445.769 6.406 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000017265460 556674278 /nfs/dbraw/zinc/67/42/78/556674278.db2.gz VQDJVPLDKUHNOL-XLIONFOSSA-N 0 0 445.769 6.406 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2cccs2)on1 ZINC000011917430 556674732 /nfs/dbraw/zinc/67/47/32/556674732.db2.gz HEEQKWAELRNRHY-UHFFFAOYSA-N 0 0 438.530 5.869 50 0 IKAARN COc1cc(OC)c(C2=CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)c(OC)c1 ZINC000011918887 556674977 /nfs/dbraw/zinc/67/49/77/556674977.db2.gz AQWCKPRWNBAJSL-UHFFFAOYSA-N 0 0 427.884 5.042 50 0 IKAARN COc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248187073 556675663 /nfs/dbraw/zinc/67/56/63/556675663.db2.gz ILZJSOAWGWCXME-OZXSUGGESA-N 0 0 440.603 5.191 50 0 IKAARN CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(Cl)cc1 ZINC000046586502 556675992 /nfs/dbraw/zinc/67/59/92/556675992.db2.gz WMKGIDCDEFHQMY-UHFFFAOYSA-N 0 0 432.336 5.614 50 0 IKAARN Fc1ccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000100813553 556676554 /nfs/dbraw/zinc/67/65/54/556676554.db2.gz TZXKGBDFDBDPOS-LVWGJNHUSA-N 0 0 434.268 6.110 50 0 IKAARN CSc1ccc(NC(=O)Oc2cc3ccccc3cc2C(=O)Nc2ccccc2)cc1 ZINC000001741777 556677040 /nfs/dbraw/zinc/67/70/40/556677040.db2.gz WXTPMESLNOFDLW-UHFFFAOYSA-N 0 0 428.513 6.425 50 0 IKAARN CCc1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NO2)cc1 ZINC000032934832 556677563 /nfs/dbraw/zinc/67/75/63/556677563.db2.gz ITWATXILPAXGNQ-HSZRJFAPSA-N 0 0 428.919 6.277 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)cs1 ZINC000011984430 556678276 /nfs/dbraw/zinc/67/82/76/556678276.db2.gz VALLBWUVVMTDIS-UHFFFAOYSA-N 0 0 436.455 5.331 50 0 IKAARN CCCCC[C@H]1CC[C@H](C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1 ZINC000248290270 556678368 /nfs/dbraw/zinc/67/83/68/556678368.db2.gz SFGFJCGJXSZYHW-BZKVGYQJSA-N 0 0 442.609 9.431 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)c2ccco2)c1 ZINC000017724525 556679043 /nfs/dbraw/zinc/67/90/43/556679043.db2.gz UOWXKHBODKGGSD-MHPIHPPYSA-N 0 0 433.504 5.695 50 0 IKAARN COc1c(Br)c(Br)c(C)c(Br)c1Br ZINC000000638434 556680286 /nfs/dbraw/zinc/68/02/86/556680286.db2.gz OGXHSRAXVYFXCV-UHFFFAOYSA-N 0 0 437.751 5.054 50 0 IKAARN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@H]2C1 ZINC000017987854 556680924 /nfs/dbraw/zinc/68/09/24/556680924.db2.gz MABFDTJNUOTLLK-CVEARBPZSA-N 0 0 429.303 5.091 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1 ZINC000017988514 556681204 /nfs/dbraw/zinc/68/12/04/556681204.db2.gz KARCJUPLQAHYHT-SDUSCBPUSA-N 0 0 438.527 5.321 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1CCNc1cccc3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000018024174 556681568 /nfs/dbraw/zinc/68/15/68/556681568.db2.gz WQXHEGTWVZPWKT-SALAOISXSA-N 0 0 444.534 5.144 50 0 IKAARN O=C(Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2s1)c1ccco1 ZINC000018019513 556681574 /nfs/dbraw/zinc/68/15/74/556681574.db2.gz ZONPPPQHEWOYFQ-UHFFFAOYSA-N 0 0 432.288 5.701 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000010626057 556681894 /nfs/dbraw/zinc/68/18/94/556681894.db2.gz KPYRWDAANWJAFL-UHFFFAOYSA-N 0 0 445.972 5.041 50 0 IKAARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccccc5)o4)S3)CC2)c1 ZINC000000723949 556683303 /nfs/dbraw/zinc/68/33/03/556683303.db2.gz LPBWDEBVHDXHQU-QJOMJCCJSA-N 0 0 429.545 5.048 50 0 IKAARN Cc1cccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)c1 ZINC000018106770 556684059 /nfs/dbraw/zinc/68/40/59/556684059.db2.gz OZFUFDSDCYSFPF-UHFFFAOYSA-N 0 0 432.545 5.297 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2ncnc3sc4c(c32)CCC4)c2ccccc2)cc1 ZINC000013526793 556684535 /nfs/dbraw/zinc/68/45/35/556684535.db2.gz TYTNCAXQRPJHPT-OAQYLSRUSA-N 0 0 431.586 5.961 50 0 IKAARN CCCn1c(CCc2ccccc2NC(=O)[C@H](CC)c2ccccc2)nc2ccccc21 ZINC000033019755 556684546 /nfs/dbraw/zinc/68/45/46/556684546.db2.gz QLNWLWWRYRIFRY-HSZRJFAPSA-N 0 0 425.576 6.364 50 0 IKAARN Cn1c(CCc2ccccc2NC(=O)c2ccc(Br)cc2)nc2ccccc21 ZINC000033019830 556684832 /nfs/dbraw/zinc/68/48/32/556684832.db2.gz VWCULASGCHWZPN-UHFFFAOYSA-N 0 0 434.337 5.373 50 0 IKAARN COc1ccc(N(c2ccc(I)cc2)c2ccc(OC)cc2)cc1 ZINC000045028213 556684889 /nfs/dbraw/zinc/68/48/89/556684889.db2.gz VGQDQJMYUYSINZ-UHFFFAOYSA-N 0 0 431.273 5.778 50 0 IKAARN O=C(Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000018142462 556685002 /nfs/dbraw/zinc/68/50/02/556685002.db2.gz MXCTUWTYSBLDEZ-UHFFFAOYSA-N 0 0 437.587 5.952 50 0 IKAARN CC[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12)C(=O)c1ccccc1 ZINC000009933844 556685079 /nfs/dbraw/zinc/68/50/79/556685079.db2.gz GCPCGGZKNQTSLR-DEOSSOPVSA-N 0 0 443.930 6.682 50 0 IKAARN O=C(Nc1cccc(Br)c1)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000033020662 556685576 /nfs/dbraw/zinc/68/55/76/556685576.db2.gz VPMMLVGZITVRRI-UHFFFAOYSA-N 0 0 440.728 6.895 50 0 IKAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc21 ZINC000033020595 556685634 /nfs/dbraw/zinc/68/56/34/556685634.db2.gz RWYCSPQGGAQNTG-UHFFFAOYSA-N 0 0 428.923 5.746 50 0 IKAARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000002053960 556686067 /nfs/dbraw/zinc/68/60/67/556686067.db2.gz VWNNOAIDPJIJBW-HZHRSRAPSA-N 0 0 430.479 5.110 50 0 IKAARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)OC1(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)O2 ZINC000002127306 556686102 /nfs/dbraw/zinc/68/61/02/556686102.db2.gz QCTUNILGDMWZNX-UHFFFAOYSA-N 0 0 440.624 6.982 50 0 IKAARN Fc1ccccc1CSCc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)o1 ZINC000033021865 556686609 /nfs/dbraw/zinc/68/66/09/556686609.db2.gz VCFVOACFRWMCSP-UHFFFAOYSA-N 0 0 434.414 6.588 50 0 IKAARN c1ccc(-c2noc(CSc3ccc(-c4ccc(C5CCCCC5)cc4)nn3)n2)cc1 ZINC000033022154 556686859 /nfs/dbraw/zinc/68/68/59/556686859.db2.gz BVAOXYVEPLBRJZ-UHFFFAOYSA-N 0 0 428.561 6.534 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000010640620 556686862 /nfs/dbraw/zinc/68/68/62/556686862.db2.gz JTKCIOAWXFPDIA-LLVKDONJSA-N 0 0 432.521 5.458 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F ZINC000010640621 556686895 /nfs/dbraw/zinc/68/68/95/556686895.db2.gz JTKCIOAWXFPDIA-NSHDSACASA-N 0 0 432.521 5.458 50 0 IKAARN CSc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1 ZINC000033022199 556686905 /nfs/dbraw/zinc/68/69/05/556686905.db2.gz BUVPQUHZOOGCFI-UHFFFAOYSA-N 0 0 448.617 6.406 50 0 IKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1 ZINC000033022203 556687115 /nfs/dbraw/zinc/68/71/15/556687115.db2.gz MIYDJNSPVUPRGA-UHFFFAOYSA-N 0 0 446.576 6.083 50 0 IKAARN Cc1cccc(-c2noc(CSc3ccc(-c4cccc(Br)c4)nn3)n2)c1 ZINC000033021937 556687144 /nfs/dbraw/zinc/68/71/44/556687144.db2.gz ZTESFCIAPZJRSK-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN Cc1ccc(-c2noc(CSc3ccc(-c4cccc(Br)c4)nn3)n2)cc1 ZINC000033021939 556687148 /nfs/dbraw/zinc/68/71/48/556687148.db2.gz QPYIGFCMLWHHTL-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN CCOc1ccccc1-c1noc(CSc2ccc(-c3ccc(CC(C)C)cc3)nn2)n1 ZINC000033022209 556687176 /nfs/dbraw/zinc/68/71/76/556687176.db2.gz USWDXWWSLLLVDU-UHFFFAOYSA-N 0 0 446.576 6.083 50 0 IKAARN Cc1noc(-c2ccc(C(=O)N3CC[C@H](C)Sc4ccc(C(F)(F)F)cc43)cc2)n1 ZINC000071943116 556687657 /nfs/dbraw/zinc/68/76/57/556687657.db2.gz NNXSFHVOSDEGQY-LBPRGKRZSA-N 0 0 433.455 5.595 50 0 IKAARN Cc1cc(Br)c(Cl)cc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O ZINC000018243909 556687731 /nfs/dbraw/zinc/68/77/31/556687731.db2.gz VXXMOYSZEUWRGL-XHSDSOJGSA-N 0 0 432.745 5.484 50 0 IKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)c2)cc1 ZINC000018244595 556687932 /nfs/dbraw/zinc/68/79/32/556687932.db2.gz LDFZKOYCRHBCOW-IMRHEYAYSA-N 0 0 433.548 5.519 50 0 IKAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)NC1CCCCC1 ZINC000018254481 556688505 /nfs/dbraw/zinc/68/85/05/556688505.db2.gz AGYZTWKSMQMAAT-UHFFFAOYSA-N 0 0 426.969 5.390 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncn(C[C@@H](O)c3ccc(C(F)(F)F)cc3)c(=O)c12 ZINC000071949394 556689051 /nfs/dbraw/zinc/68/90/51/556689051.db2.gz RFLCZNPSGKVWFK-QGZVFWFLSA-N 0 0 430.451 5.186 50 0 IKAARN CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3cccc(C)c3)nccn2n1 ZINC000046005354 556689362 /nfs/dbraw/zinc/68/93/62/556689362.db2.gz UYTKSQFMNRCRDN-UHFFFAOYSA-N 0 0 446.576 5.614 50 0 IKAARN Cc1ccc(SCc2cc(=O)[nH]c(SCC(=O)Nc3ccc(Cl)cc3C)n2)cc1 ZINC000018324962 556689713 /nfs/dbraw/zinc/68/97/13/556689713.db2.gz QLHSUQLXGUBIDT-UHFFFAOYSA-N 0 0 445.997 5.476 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000046005841 556689899 /nfs/dbraw/zinc/68/98/99/556689899.db2.gz OOGZGIZHFVLMOX-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN Cc1ccc(S(=O)(=O)/C(=C/Sc2ccc(Cl)cc2)NC(=O)c2ccccc2)cc1 ZINC000000820666 556690043 /nfs/dbraw/zinc/69/00/43/556690043.db2.gz BMSFQZRYEJLKFE-RCCKNPSSSA-N 0 0 443.977 5.443 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(C)c1 ZINC000046006003 556690062 /nfs/dbraw/zinc/69/00/62/556690062.db2.gz SJWRPSPWRZGFJL-UHFFFAOYSA-N 0 0 428.536 5.316 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)N1CCCCCC1 ZINC000046006103 556690071 /nfs/dbraw/zinc/69/00/71/556690071.db2.gz SGRBNDMCVFYZLY-UHFFFAOYSA-N 0 0 434.584 5.080 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000046005993 556690088 /nfs/dbraw/zinc/69/00/88/556690088.db2.gz PTXRARSNJQXTNQ-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(OC)cc1 ZINC000046005912 556690090 /nfs/dbraw/zinc/69/00/90/556690090.db2.gz BYYISXWQQYLDKS-UHFFFAOYSA-N 0 0 444.535 5.016 50 0 IKAARN CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@@H]1c1ccccc1OC(F)F ZINC000000988569 556690219 /nfs/dbraw/zinc/69/02/19/556690219.db2.gz UAKHDRFJVZXUBW-SFHVURJKSA-N 0 0 442.487 5.047 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1cccc(C)c1 ZINC000046006328 556690368 /nfs/dbraw/zinc/69/03/68/556690368.db2.gz QEYNUVAXTBQBHU-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000046006468 556690423 /nfs/dbraw/zinc/69/04/23/556690423.db2.gz QAZCXDSKXBTXNQ-UHFFFAOYSA-N 0 0 446.526 5.373 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009389 556690932 /nfs/dbraw/zinc/69/09/32/556690932.db2.gz VWZJKJGZSORCMB-UHFFFAOYSA-N 0 0 436.899 5.275 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009400 556690975 /nfs/dbraw/zinc/69/09/75/556690975.db2.gz GTUJSAXITLYGBI-UHFFFAOYSA-N 0 0 436.899 5.275 50 0 IKAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 ZINC000032939189 556691148 /nfs/dbraw/zinc/69/11/48/556691148.db2.gz FCXHLVFSOAZKBF-SXGWCWSVSA-N 0 0 425.484 5.769 50 0 biogenic IKAARN COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)o1 ZINC000001150424 556691190 /nfs/dbraw/zinc/69/11/90/556691190.db2.gz NFYQDMZGQIWPSI-MOSHPQCFSA-N 0 0 435.526 5.447 50 0 IKAARN CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000001198985 556692532 /nfs/dbraw/zinc/69/25/32/556692532.db2.gz ZTUDRXUONGHYCU-QHCPKHFHSA-N 0 0 436.964 5.550 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000046141115 556692521 /nfs/dbraw/zinc/69/25/21/556692521.db2.gz ZCIIXHPCXJMHAV-UHFFFAOYSA-N 0 0 430.426 5.809 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000034796998 556693217 /nfs/dbraw/zinc/69/32/17/556693217.db2.gz SGIWFSVAVPGMJG-RUZDIDTESA-N 0 0 434.536 5.809 50 0 IKAARN C[C@@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 ZINC000009781001 556696639 /nfs/dbraw/zinc/69/66/39/556696639.db2.gz MCDMIBHTTQBFAB-KYOSRNDESA-N 0 0 438.837 5.281 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025192 556698414 /nfs/dbraw/zinc/69/84/14/556698414.db2.gz VHIAQBIMHMUGOC-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025187 556698446 /nfs/dbraw/zinc/69/84/46/556698446.db2.gz AMQJXFVKPFPIMI-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025162 556698470 /nfs/dbraw/zinc/69/84/70/556698470.db2.gz SPHSFYOWFCXKOP-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN COc1ccc2c(c1)c(-c1csc(NC(=O)CCc3c[nH]c4ccccc34)n1)c(C)n2C ZINC000013570185 556698479 /nfs/dbraw/zinc/69/84/79/556698479.db2.gz XQRNLHZAPVVLSB-UHFFFAOYSA-N 0 0 444.560 5.671 50 0 biogenic IKAARN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2ON1c1ccccc1 ZINC000137932978 556699386 /nfs/dbraw/zinc/69/93/86/556699386.db2.gz IRKTWDNRKMSRGK-JIMJEQGWSA-N 0 0 434.495 5.199 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033025244 556699398 /nfs/dbraw/zinc/69/93/98/556699398.db2.gz NPYIIJWYOSQNMJ-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025370 556699630 /nfs/dbraw/zinc/69/96/30/556699630.db2.gz PLIALUGSKMEUPP-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc(OC)c1 ZINC000033025267 556699634 /nfs/dbraw/zinc/69/96/34/556699634.db2.gz PUAGWUVOPQWRLW-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025356 556699653 /nfs/dbraw/zinc/69/96/53/556699653.db2.gz MEQOGDPGEQDYGK-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025366 556699677 /nfs/dbraw/zinc/69/96/77/556699677.db2.gz FWOKSUXMROMMHQ-LJQANCHMSA-N 0 0 440.522 5.777 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)n2)cc1 ZINC000033025264 556699699 /nfs/dbraw/zinc/69/96/99/556699699.db2.gz MCPGUWBLQQMXFN-VWLOTQADSA-N 0 0 434.543 6.003 50 0 IKAARN Cc1nn2c(nc(-c3cccnc3)c3c2CC[C@@H](C(C)(C)C)C3)c1-c1ccc(Cl)cc1 ZINC000048512741 556699928 /nfs/dbraw/zinc/69/99/28/556699928.db2.gz TWSKRJCHFMKNQE-LJQANCHMSA-N 0 0 430.983 6.571 50 0 IKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000033025575 556701128 /nfs/dbraw/zinc/70/11/28/556701128.db2.gz CXQDGVAUFVPNGC-UHFFFAOYSA-N 0 0 433.943 5.580 50 0 IKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000033025573 556701168 /nfs/dbraw/zinc/70/11/68/556701168.db2.gz KPERROWGIQCKER-UHFFFAOYSA-N 0 0 433.943 5.580 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Br)cc1 ZINC000013602419 556701652 /nfs/dbraw/zinc/70/16/52/556701652.db2.gz ZMCDCBHZASMZBG-UHFFFAOYSA-N 0 0 425.307 5.684 50 0 IKAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccccc3Cl)nc12 ZINC000033026020 556701723 /nfs/dbraw/zinc/70/17/23/556701723.db2.gz JHOYFYMCMYIREK-UHFFFAOYSA-N 0 0 435.936 5.201 50 0 IKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(I)ccc1Cl ZINC000013602453 556701739 /nfs/dbraw/zinc/70/17/39/556701739.db2.gz IQIXMVBOCMJDPG-UHFFFAOYSA-N 0 0 445.687 5.768 50 0 IKAARN O=S(=O)(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccc2c(c1)CCCC2 ZINC000033025779 556701754 /nfs/dbraw/zinc/70/17/54/556701754.db2.gz AICVKHVHGXDNPM-UHFFFAOYSA-N 0 0 436.964 6.168 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033026531 556703582 /nfs/dbraw/zinc/70/35/82/556703582.db2.gz LIMSKADBQQOKKH-UHFFFAOYSA-N 0 0 430.533 5.248 50 0 IKAARN Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3ccc(C)c(F)c3)cc(=O)n2c1 ZINC000033026509 556703594 /nfs/dbraw/zinc/70/35/94/556703594.db2.gz GVAALKCMPCCZAX-UHFFFAOYSA-N 0 0 448.523 5.387 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@@H]1c1ccccc1C ZINC000072314693 556704134 /nfs/dbraw/zinc/70/41/34/556704134.db2.gz SQJAERUNFYXCJQ-RUZDIDTESA-N 0 0 449.554 5.900 50 0 IKAARN O=C(Nc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3)C1CCCCC1 ZINC000013625336 556704472 /nfs/dbraw/zinc/70/44/72/556704472.db2.gz DHOJUKUBUFUXOQ-UHFFFAOYSA-N 0 0 427.500 6.214 50 0 IKAARN O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013654087 556707373 /nfs/dbraw/zinc/70/73/73/556707373.db2.gz NNXTVXITCNHBTM-UHFFFAOYSA-N 0 0 443.402 5.668 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(Nc3ccccc3)C2=C(N2CCCCC2)C1 ZINC000049676349 556707388 /nfs/dbraw/zinc/70/73/88/556707388.db2.gz KJNJBYDCXNGCDM-HKBQPEDESA-N 0 0 434.524 6.685 50 0 IKAARN CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3F)c2c1 ZINC000013653856 556707515 /nfs/dbraw/zinc/70/75/15/556707515.db2.gz QLXAPICFUZVPNQ-UHFFFAOYSA-N 0 0 427.431 6.160 50 0 IKAARN CC(C)(C)c1cc(C2CCCCC2)cc(CN2CCOCC2)c1OC(=O)c1cccnc1 ZINC000019203499 556707751 /nfs/dbraw/zinc/70/77/51/556707751.db2.gz AMXZOXUGGXCKHA-UHFFFAOYSA-N 0 0 436.596 5.478 50 0 IKAARN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)c(Cl)c1 ZINC000001218074 556707768 /nfs/dbraw/zinc/70/77/68/556707768.db2.gz KIQBMERGARWITO-GDNBJRDFSA-N 0 0 440.974 5.161 50 0 IKAARN Cc1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)c2)c1 ZINC000033027773 556708229 /nfs/dbraw/zinc/70/82/29/556708229.db2.gz FLTREKXBCAXWQD-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1cc([C@H](C)NC(=O)c2cnn(C(C)C)c2C(F)(F)F)ccc1OCC(C)C ZINC000060337213 556708652 /nfs/dbraw/zinc/70/86/52/556708652.db2.gz IFDVQYIOTCTAQK-AWEZNQCLSA-N 0 0 427.467 5.017 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013694980 556712034 /nfs/dbraw/zinc/71/20/34/556712034.db2.gz XKLYNTMFHRXNBR-UHFFFAOYSA-N 0 0 447.343 5.275 50 0 IKAARN CC(C)c1sc(NC(=O)c2cc(Br)cnc2Cl)nc1-c1ccccc1 ZINC000060341606 556712904 /nfs/dbraw/zinc/71/29/04/556712904.db2.gz LYDBAMSTQINDJH-UHFFFAOYSA-N 0 0 436.762 5.997 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033034669 556716835 /nfs/dbraw/zinc/71/68/35/556716835.db2.gz YRPJXFAZJPGPJZ-QHCPKHFHSA-N 0 0 434.580 5.168 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC4=CCCCC4)c3)C2)cc1 ZINC000033034738 556716954 /nfs/dbraw/zinc/71/69/54/556716954.db2.gz RJHYQXBWUDVVMY-RUZDIDTESA-N 0 0 446.591 5.335 50 0 biogenic IKAARN O=C(NC1CCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035284 556717781 /nfs/dbraw/zinc/71/77/81/556717781.db2.gz FANQHNPTZPCTNI-IBGZPJMESA-N 0 0 425.960 5.424 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033035610 556717963 /nfs/dbraw/zinc/71/79/63/556717963.db2.gz ARIOSAIHRUMMSX-QHCPKHFHSA-N 0 0 433.596 5.723 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033035537 556717979 /nfs/dbraw/zinc/71/79/79/556717979.db2.gz HFNOOQCFSSEBLM-XMMPIXPASA-N 0 0 447.623 6.113 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033035607 556718023 /nfs/dbraw/zinc/71/80/23/556718023.db2.gz ARIOSAIHRUMMSX-HSZRJFAPSA-N 0 0 433.596 5.723 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033035446 556718056 /nfs/dbraw/zinc/71/80/56/556718056.db2.gz VCFPYZZGMPZQQU-FQEVSTJZSA-N 0 0 425.960 5.378 50 0 IKAARN COc1cccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1 ZINC000033035723 556718409 /nfs/dbraw/zinc/71/84/09/556718409.db2.gz AIUHNXXYHSYOPM-HSZRJFAPSA-N 0 0 443.547 5.037 50 0 IKAARN CC(C)C(=O)Nc1ccccc1Sc1nc(Br)nn1CCc1ccccc1 ZINC000033036329 556719033 /nfs/dbraw/zinc/71/90/33/556719033.db2.gz RVGVHWJMTPJPDB-UHFFFAOYSA-N 0 0 445.386 5.029 50 0 IKAARN Cc1ccc(-c2cccc3c(C(=O)N4CCN(c5ccccc5F)CC4)cc(C)nc23)cc1 ZINC000033036935 556719622 /nfs/dbraw/zinc/71/96/22/556719622.db2.gz SXPOENJGDFDNNS-UHFFFAOYSA-N 0 0 439.534 5.620 50 0 IKAARN Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036808 556719711 /nfs/dbraw/zinc/71/97/11/556719711.db2.gz ZNFXKGHEVSQFKM-UHFFFAOYSA-N 0 0 443.497 5.451 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NC2CCCC2)cc1 ZINC000000841975 556719811 /nfs/dbraw/zinc/71/98/11/556719811.db2.gz IWRZBRHBXDFXTM-UHFFFAOYSA-N 0 0 448.588 5.063 50 0 IKAARN O=C(c1cc(Cl)sc1Cl)N(C[C@H]1CCCO1)c1nc2c(cc(F)cc2F)s1 ZINC000011139711 556719993 /nfs/dbraw/zinc/71/99/93/556719993.db2.gz HLFNSGCEZBATAD-SECBINFHSA-N 0 0 449.331 5.769 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-n3nc(C)c(-c4ccccc4)c3NC(C)=O)cc2)cc1 ZINC000033037013 556720262 /nfs/dbraw/zinc/72/02/62/556720262.db2.gz LSXFQPQYPHCAHX-UHFFFAOYSA-N 0 0 440.503 5.067 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000033037164 556722123 /nfs/dbraw/zinc/72/21/23/556722123.db2.gz QKZFIGYNCCJEGQ-UHFFFAOYSA-N 0 0 430.552 5.131 50 0 IKAARN C[C@H](CCC(=O)N1CCCC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325115 556722446 /nfs/dbraw/zinc/72/24/46/556722446.db2.gz MRBBEDVJNFJHNU-BJICXTOASA-N 0 0 445.688 5.016 50 0 biogenic IKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)cc12 ZINC000033037403 556722696 /nfs/dbraw/zinc/72/26/96/556722696.db2.gz SWMIJZKFQTVFAB-IBGZPJMESA-N 0 0 447.520 5.166 50 0 IKAARN CSc1cccc(NC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)c1 ZINC000033037468 556722904 /nfs/dbraw/zinc/72/29/04/556722904.db2.gz FZNUFWGWWVUYEC-UHFFFAOYSA-N 0 0 444.560 5.281 50 0 IKAARN COc1ccc(CN(CC[C@@H]2CC(C)(C)OC[C@@H]2c2ccccc2)C(C)=O)cc1OC ZINC000004616540 556723944 /nfs/dbraw/zinc/72/39/44/556723944.db2.gz KWLNJGMDUQTJML-DHIUTWEWSA-N 0 0 425.569 5.041 50 0 IKAARN Brc1ccc(C[C@@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 ZINC000000865564 556723988 /nfs/dbraw/zinc/72/39/88/556723988.db2.gz RGZMWEGSLHICGY-INIZCTEOSA-N 0 0 431.337 5.771 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1C ZINC000033038159 556723953 /nfs/dbraw/zinc/72/39/53/556723953.db2.gz AIQJYLLZZBREON-UHFFFAOYSA-N 0 0 426.520 5.337 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038188 556724300 /nfs/dbraw/zinc/72/43/00/556724300.db2.gz LUYRNEMZTXJFJD-UHFFFAOYSA-N 0 0 442.519 5.119 50 0 IKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2cccc(C)c2)CC1 ZINC000072328434 556725483 /nfs/dbraw/zinc/72/54/83/556725483.db2.gz IGHGPSKGEWLEOW-UHFFFAOYSA-N 0 0 436.987 5.005 50 0 IKAARN CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000072328462 556725901 /nfs/dbraw/zinc/72/59/01/556725901.db2.gz DHNSGUPUEQRDEN-UHFFFAOYSA-N 0 0 437.971 5.915 50 0 IKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1C(F)(F)F ZINC000072328537 556725963 /nfs/dbraw/zinc/72/59/63/556725963.db2.gz ZGTSODHAGKKNCD-UHFFFAOYSA-N 0 0 435.877 6.001 50 0 IKAARN O=C(NCC12CC3CC(C1)CC(CNC(=O)Nc1ccccc1)(C3)C2)Nc1ccccc1 ZINC000013757269 556727015 /nfs/dbraw/zinc/72/70/15/556727015.db2.gz BWFTVUPXYHTCBT-UHFFFAOYSA-N 0 0 432.568 5.216 50 0 IKAARN Clc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1Cl ZINC000013756742 556727037 /nfs/dbraw/zinc/72/70/37/556727037.db2.gz HHSRWYHQBMTMRH-UHFFFAOYSA-N 0 0 445.176 8.696 50 0 IKAARN CCCCc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(CCCC)cc3)c2)cc1 ZINC000003115885 556727120 /nfs/dbraw/zinc/72/71/20/556727120.db2.gz FYWBVAQVYNHLQX-UHFFFAOYSA-N 0 0 430.544 6.810 50 0 IKAARN CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(F)cc4Cl)ccn3n2)cc1Cl ZINC000072329626 556727425 /nfs/dbraw/zinc/72/74/25/556727425.db2.gz YRCFRQYHZSDTIK-UHFFFAOYSA-N 0 0 432.282 5.056 50 0 IKAARN CCOc1ccc(-c2cc3c(=O)n(Cc4c(F)cccc4Cl)ccn3n2)cc1Cl ZINC000072329625 556727427 /nfs/dbraw/zinc/72/74/27/556727427.db2.gz JABWZRPZTNKJTK-UHFFFAOYSA-N 0 0 432.282 5.056 50 0 IKAARN Cc1cc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc2c(C)c1 ZINC000011142402 556728333 /nfs/dbraw/zinc/72/83/33/556728333.db2.gz COUCHMPQVPDKFN-LBPRGKRZSA-N 0 0 441.405 6.107 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000013763505 556728909 /nfs/dbraw/zinc/72/89/09/556728909.db2.gz YGOAXONNFSESNT-UHFFFAOYSA-N 0 0 443.631 5.768 50 0 IKAARN O=C(CN(Cc1ccccc1)Cc1ccccc1)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000054195648 556729204 /nfs/dbraw/zinc/72/92/04/556729204.db2.gz DYGWETMWCBVLIN-UHFFFAOYSA-N 0 0 442.342 5.422 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(c5ccccc5)CC4)cc3)sc2c1 ZINC000054254233 556729512 /nfs/dbraw/zinc/72/95/12/556729512.db2.gz XBOYUBCNSWXCGF-UHFFFAOYSA-N 0 0 442.588 5.032 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)NCCCCNC(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000033921138 556731382 /nfs/dbraw/zinc/73/13/82/556731382.db2.gz CCSYKAOVSFNGDZ-MJZABRMRSA-N 0 0 432.608 5.673 50 0 IKAARN CC(C)c1ccc(/C=C\C(=O)NCCCCNC(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000033921137 556731426 /nfs/dbraw/zinc/73/14/26/556731426.db2.gz CCSYKAOVSFNGDZ-WHYMJUELSA-N 0 0 432.608 5.673 50 0 IKAARN Cc1nn2c(ncc(C(=O)NCc3cccc(C)c3)c2C(F)(F)F)c1-c1cccc(C)c1 ZINC000033039923 556731774 /nfs/dbraw/zinc/73/17/74/556731774.db2.gz FBPGMRNGYQTYHV-UHFFFAOYSA-N 0 0 438.453 5.270 50 0 IKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000055073669 556734026 /nfs/dbraw/zinc/73/40/26/556734026.db2.gz STCBKXNXPIOBHG-UHFFFAOYSA-N 0 0 425.532 5.345 50 0 IKAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cs1 ZINC000019310177 556735320 /nfs/dbraw/zinc/73/53/20/556735320.db2.gz DNHWNAKAFDIEDT-UHFFFAOYSA-N 0 0 446.557 5.659 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1F)CCCC3 ZINC000033042830 556735872 /nfs/dbraw/zinc/73/58/72/556735872.db2.gz KVOYHAZFQJBHNF-QFIPXVFZSA-N 0 0 441.547 6.441 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)cc1 ZINC000033042771 556735948 /nfs/dbraw/zinc/73/59/48/556735948.db2.gz KARSTBHCMCFPEU-DEOSSOPVSA-N 0 0 433.621 6.725 50 0 IKAARN CN(C(=O)Cc1ccccc1F)c1ccc(NC(=O)Cc2ccccc2F)cc1Cl ZINC000078899383 556735896 /nfs/dbraw/zinc/73/58/96/556735896.db2.gz WJEZCEQWAJCVLD-UHFFFAOYSA-N 0 0 428.866 5.005 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000033042854 556735982 /nfs/dbraw/zinc/73/59/82/556735982.db2.gz WIPACVGYIBIIHW-LJQANCHMSA-N 0 0 425.985 6.570 50 0 IKAARN COc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)o2)c(F)c1 ZINC000055153088 556736199 /nfs/dbraw/zinc/73/61/99/556736199.db2.gz PHCGJGDZQMOPKN-UHFFFAOYSA-N 0 0 449.448 5.139 50 0 IKAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccccc2C(F)(F)F)C3)n1 ZINC000055168143 556736526 /nfs/dbraw/zinc/73/65/26/556736526.db2.gz LTMFGKHRHMCAIT-UHFFFAOYSA-N 0 0 444.453 5.179 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1Cl ZINC000033042962 556737126 /nfs/dbraw/zinc/73/71/26/556737126.db2.gz UBEILBNNZDHMAS-HNNXBMFYSA-N 0 0 425.985 6.488 50 0 IKAARN COc1cccc(-c2nc(CN(Cc3scnc3C)Cc3ccccc3)c(C)o2)c1OC ZINC000055253921 556739017 /nfs/dbraw/zinc/73/90/17/556739017.db2.gz PRYCYCBZJZZHOQ-UHFFFAOYSA-N 0 0 449.576 5.635 50 0 IKAARN CCCCCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000143593343 556739980 /nfs/dbraw/zinc/73/99/80/556739980.db2.gz QNXQIEXQGLIJBX-QHAWAJNXSA-N 0 0 447.362 5.642 50 0 IKAARN CCCNC(=O)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(OC)cc1)n3CCCC2 ZINC000005215538 556740204 /nfs/dbraw/zinc/74/02/04/556740204.db2.gz OCBZGBJFOIAETG-UHFFFAOYSA-N 0 0 427.548 5.560 50 0 IKAARN COc1cc2c(cc1CN1CCN(c3cccc(C)c3C)CC1)oc(C)c2-c1ccccc1 ZINC000055447582 556741151 /nfs/dbraw/zinc/74/11/51/556741151.db2.gz VRSHSQVCWBECAR-UHFFFAOYSA-N 0 0 440.587 6.356 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1C ZINC000055526923 556741543 /nfs/dbraw/zinc/74/15/43/556741543.db2.gz DEJIPTKVNIGNBG-UHFFFAOYSA-N 0 0 433.983 5.531 50 0 IKAARN COc1ccc(CSc2nc(CSc3ccc(Br)cc3)cc(=O)[nH]2)cc1 ZINC000004622176 556741884 /nfs/dbraw/zinc/74/18/84/556741884.db2.gz XMZNDMVRDWBZKF-UHFFFAOYSA-N 0 0 449.395 5.538 50 0 IKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)c1 ZINC000055545159 556741930 /nfs/dbraw/zinc/74/19/30/556741930.db2.gz OICCHIPCMPXXNU-UHFFFAOYSA-N 0 0 447.554 5.187 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccc3c(c2)OCO3)c2ccccc2OC)C(C)=O)cc1 ZINC000005220487 556742183 /nfs/dbraw/zinc/74/21/83/556742183.db2.gz WBPFARVYPLNFMT-HSZRJFAPSA-N 0 0 447.531 5.003 50 0 biogenic IKAARN CCC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1cccs1 ZINC000013805737 556743114 /nfs/dbraw/zinc/74/31/14/556743114.db2.gz KHHRIIAETUVFOG-XMMPIXPASA-N 0 0 434.045 6.348 50 0 IKAARN O=c1c2ccccc2occ1-c1cc(-c2ccccc2)nc2c1COc1ccc(Cl)cc1-2 ZINC000013828514 556744288 /nfs/dbraw/zinc/74/42/88/556744288.db2.gz WIICJQMQNINCTL-UHFFFAOYSA-N 0 0 437.882 6.735 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000096315527 556744444 /nfs/dbraw/zinc/74/44/44/556744444.db2.gz YUPYBVNTGDMNRV-UHFFFAOYSA-N 0 0 427.888 5.454 50 0 IKAARN CCOc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1OCC ZINC000033048595 556745281 /nfs/dbraw/zinc/74/52/81/556745281.db2.gz DSAFFAIVCLCMHB-HSZRJFAPSA-N 0 0 443.503 5.053 50 0 IKAARN COc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1OCc1ccccc1 ZINC000019359239 556745573 /nfs/dbraw/zinc/74/55/73/556745573.db2.gz YMCFCVMIJLQECB-MDWZMJQESA-N 0 0 428.576 5.105 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCCc3ccccc3)cc1CC2 ZINC000033049027 556745779 /nfs/dbraw/zinc/74/57/79/556745779.db2.gz VQRCJJLFYKPKLS-UHFFFAOYSA-N 0 0 427.573 5.370 50 0 IKAARN COc1ccc([C@@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C(C)C)cc1OC ZINC000604418805 556746720 /nfs/dbraw/zinc/74/67/20/556746720.db2.gz FIEISPJWWPEVGB-AVRDEDQJSA-N 0 0 439.581 5.557 50 0 IKAARN CC[C@@H](Sc1nnc(-c2cc3ccccc3o2)n1C(C)C)C(=O)NC1CCCCC1 ZINC000057291812 556747264 /nfs/dbraw/zinc/74/72/64/556747264.db2.gz LKCKCKSDCYUTOG-HXUWFJFHSA-N 0 0 426.586 5.592 50 0 IKAARN CCCNC(=O)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000005252413 556747349 /nfs/dbraw/zinc/74/73/49/556747349.db2.gz VVJCIGVEUFZYCR-UHFFFAOYSA-N 0 0 427.548 5.560 50 0 IKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000014689045 556747934 /nfs/dbraw/zinc/74/79/34/556747934.db2.gz RXSYCYSXFWCZGB-UHFFFAOYSA-N 0 0 429.530 5.372 50 0 IKAARN O=C(Nc1ccc(F)cc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccs1 ZINC000000838932 556748246 /nfs/dbraw/zinc/74/82/46/556748246.db2.gz NSYAGTDUPMEQEC-SFQUDFHCSA-N 0 0 445.313 5.059 50 0 IKAARN CC(=O)c1cc2c(N)c(C(=O)N(C)C(c3ccccc3)c3ccccc3)sc2nc1C ZINC000057963367 556750123 /nfs/dbraw/zinc/75/01/23/556750123.db2.gz FEWIPPAXISVVJN-UHFFFAOYSA-N 0 0 429.545 5.251 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000072332610 556750631 /nfs/dbraw/zinc/75/06/31/556750631.db2.gz KFXIRDYUFKJWPD-FYYLOGMGSA-N 0 0 443.761 7.198 50 0 IKAARN O=C(Nc1cccc2ccccc21)NC1(c2cccc(Br)c2)CCOCC1 ZINC000057991271 556750990 /nfs/dbraw/zinc/75/09/90/556750990.db2.gz BRWPUZUUNRVFPL-UHFFFAOYSA-N 0 0 425.326 5.430 50 0 IKAARN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccco1)c1ccccc1F ZINC000057996215 556751629 /nfs/dbraw/zinc/75/16/29/556751629.db2.gz GWIQVFQJNXHABS-UHFFFAOYSA-N 0 0 447.432 5.282 50 0 IKAARN COc1ccc(-n2c(SCCOc3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 ZINC000011151824 556755026 /nfs/dbraw/zinc/75/50/26/556755026.db2.gz SXIDHEKFYXDIOD-UHFFFAOYSA-N 0 0 432.549 5.126 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1Cl ZINC000058051918 556755407 /nfs/dbraw/zinc/75/54/07/556755407.db2.gz HWODRUYISBCLSF-UHFFFAOYSA-N 0 0 438.915 5.803 50 0 IKAARN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000058062848 556756065 /nfs/dbraw/zinc/75/60/65/556756065.db2.gz PAYLYENBDBURFE-UHFFFAOYSA-N 0 0 447.604 5.096 50 0 IKAARN O=C(Cc1csc(Cc2ccccc2)n1)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000058099157 556757954 /nfs/dbraw/zinc/75/79/54/556757954.db2.gz DWOSTHAGXJQPRY-HXUWFJFHSA-N 0 0 445.613 5.594 50 0 IKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(C(C)C)cc1)c1ccc(Br)cc1 ZINC000002176545 556759502 /nfs/dbraw/zinc/75/95/02/556759502.db2.gz PUNOOTOFSMFHJL-FQEVSTJZSA-N 0 0 440.318 6.949 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)cc(C)c2C)cc1 ZINC000002329469 556760687 /nfs/dbraw/zinc/76/06/87/556760687.db2.gz SSBUZXAKHDQKGZ-UHFFFAOYSA-N 0 0 428.532 5.466 50 0 IKAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000058141885 556761377 /nfs/dbraw/zinc/76/13/77/556761377.db2.gz OSBABEBDPDSRGD-UHFFFAOYSA-N 0 0 425.532 5.159 50 0 IKAARN CCc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000409116777 556761417 /nfs/dbraw/zinc/76/14/17/556761417.db2.gz LGVNKDZQHXOMBJ-UHFFFAOYSA-N 0 0 446.388 7.356 50 0 IKAARN CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c(SC)n1 ZINC000002414914 556761517 /nfs/dbraw/zinc/76/15/17/556761517.db2.gz YUXMWFURRGUMEA-UHFFFAOYSA-N 0 0 429.592 5.795 50 0 IKAARN COc1ccc(N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@H](C)C2CC2)cc1 ZINC000058145953 556761751 /nfs/dbraw/zinc/76/17/51/556761751.db2.gz CGUOLAQOUCIHRP-QGZVFWFLSA-N 0 0 446.595 5.826 50 0 IKAARN O=C(NCCCc1cn(Cc2ccccc2)c2ccccc12)C12CC3CC(CC(C3)C1)C2 ZINC000005274530 556762173 /nfs/dbraw/zinc/76/21/73/556762173.db2.gz TTXNASBWGNEDDX-UHFFFAOYSA-N 0 0 426.604 5.955 50 0 IKAARN COc1ccc(C2=Nc3cc(Cl)ccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]3C2)cc1 ZINC000001030708 556762566 /nfs/dbraw/zinc/76/25/66/556762566.db2.gz YOAGUTCSBCFPOA-OAQYLSRUSA-N 0 0 448.906 5.592 50 0 IKAARN O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cc(F)c(F)c(F)c1F ZINC000061967591 556762784 /nfs/dbraw/zinc/76/27/84/556762784.db2.gz STMDYAASLPXPQE-UHFFFAOYSA-N 0 0 431.172 5.989 50 0 IKAARN O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000058157650 556763006 /nfs/dbraw/zinc/76/30/06/556763006.db2.gz SJDXVBACEQVDEF-UHFFFAOYSA-N 0 0 426.881 5.048 50 0 IKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)no2)cc1 ZINC000061997100 556763384 /nfs/dbraw/zinc/76/33/84/556763384.db2.gz ARONUXIDASFNMO-UHFFFAOYSA-N 0 0 438.833 6.445 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1ccccc1F)C3 ZINC000061997656 556763756 /nfs/dbraw/zinc/76/37/56/556763756.db2.gz DQGIOBPQWRUZIB-UHFFFAOYSA-N 0 0 429.491 5.492 50 0 biogenic IKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1c(F)cccc1Cl)CO2 ZINC000061997657 556763806 /nfs/dbraw/zinc/76/38/06/556763806.db2.gz CFEZJHVZRGFEFZ-UHFFFAOYSA-N 0 0 435.882 5.913 50 0 biogenic IKAARN O=c1nc(CN2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000058160621 556764544 /nfs/dbraw/zinc/76/45/44/556764544.db2.gz IQULCRXJCQEOFC-MRXNPFEDSA-N 0 0 427.982 5.704 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000058160619 556764578 /nfs/dbraw/zinc/76/45/78/556764578.db2.gz AHFVXSDRNUDKAL-NRFANRHFSA-N 0 0 445.592 5.265 50 0 IKAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1ccc3cc[nH]c3c1)COC2=O ZINC000062001704 556764641 /nfs/dbraw/zinc/76/46/41/556764641.db2.gz BNBAIJWMPUHVQL-PJQLUOCWSA-N 0 0 448.519 5.072 50 0 biogenic IKAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NC1CCCCCCC1)COC2=O ZINC000062001706 556764646 /nfs/dbraw/zinc/76/46/46/556764646.db2.gz OISGBSMBSYUILH-SFQUDFHCSA-N 0 0 443.584 5.181 50 0 biogenic IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058160618 556764681 /nfs/dbraw/zinc/76/46/81/556764681.db2.gz AHFVXSDRNUDKAL-OAQYLSRUSA-N 0 0 445.592 5.265 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000001175772 556767771 /nfs/dbraw/zinc/76/77/71/556767771.db2.gz AHMNNHBCNDCXPG-SFQUDFHCSA-N 0 0 437.499 5.402 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000058176679 556769780 /nfs/dbraw/zinc/76/97/80/556769780.db2.gz PJLNUOMILGETQC-AREMUKBSSA-N 0 0 440.547 5.083 50 0 IKAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccc1SC(F)(F)F ZINC000058180307 556770286 /nfs/dbraw/zinc/77/02/86/556770286.db2.gz YJSUJPFJTMMNBU-UHFFFAOYSA-N 0 0 428.382 5.803 50 0 IKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000058196799 556770516 /nfs/dbraw/zinc/77/05/16/556770516.db2.gz GPWZZBRAZNAXPE-DEOSSOPVSA-N 0 0 439.544 5.187 50 0 IKAARN CCC[C@@](C)(NC(=O)c1oc2ccccc2c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058203298 556771741 /nfs/dbraw/zinc/77/17/41/556771741.db2.gz GCFJANZPPKHBLS-AREMUKBSSA-N 0 0 433.552 5.269 50 0 IKAARN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 ZINC000058224958 556773707 /nfs/dbraw/zinc/77/37/07/556773707.db2.gz QOXBPKJTVZKVHV-FTRWYGJKSA-N 0 0 438.959 5.187 50 0 IKAARN COC(=O)[C@H]([C@H](O)c1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2)C(C)(C)C ZINC000005383909 556778219 /nfs/dbraw/zinc/77/82/19/556778219.db2.gz RQOQZQMSBXEDKQ-LOSJGSFVSA-N 0 0 436.636 6.722 50 0 IKAARN O=C(/C=C(\c1ccccc1)C(F)(F)F)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000058306518 556779085 /nfs/dbraw/zinc/77/90/85/556779085.db2.gz ZWJKGBYWSHYARJ-XDJHFCHBSA-N 0 0 426.442 5.256 50 0 IKAARN CCC(CC)(NCn1nc(N(C(C)=O)C2CC2)sc1=S)c1ccc(Cl)cc1 ZINC000058305350 556779114 /nfs/dbraw/zinc/77/91/14/556779114.db2.gz BCERHYIFPDQIOB-UHFFFAOYSA-N 0 0 425.023 5.105 50 0 IKAARN COc1ccccc1NC(=O)CCCCC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000058305317 556779126 /nfs/dbraw/zinc/77/91/26/556779126.db2.gz ZZZWRSFJFFUXMY-UHFFFAOYSA-N 0 0 446.551 5.033 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)c(-c2nc3ccccc3[nH]2)c1 ZINC000058316869 556780616 /nfs/dbraw/zinc/78/06/16/556780616.db2.gz SRDYZQZMQRAHOR-UHFFFAOYSA-N 0 0 429.505 5.221 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1 ZINC000058326748 556781043 /nfs/dbraw/zinc/78/10/43/556781043.db2.gz XQXWWQAAORWQRP-UHFFFAOYSA-N 0 0 438.491 5.245 50 0 IKAARN CC(C)(NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1c(Cl)cccc1Cl ZINC000058331313 556781651 /nfs/dbraw/zinc/78/16/51/556781651.db2.gz YBQWHUYNXPUJGX-UHFFFAOYSA-N 0 0 447.318 5.269 50 0 IKAARN Cc1ccc(Nc2nn(CN(CC(F)(F)F)CC(F)(F)F)c(=S)s2)cc1C ZINC000058343165 556782156 /nfs/dbraw/zinc/78/21/56/556782156.db2.gz FQGIFRWSJZWSQU-UHFFFAOYSA-N 0 0 430.443 5.419 50 0 IKAARN CCC[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058343300 556782162 /nfs/dbraw/zinc/78/21/62/556782162.db2.gz NIRXETWBRUKCHW-QFIPXVFZSA-N 0 0 449.526 5.223 50 0 IKAARN Cc1c(C(=O)N(C)[C@H](c2cccc(F)c2)c2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000058367652 556783164 /nfs/dbraw/zinc/78/31/64/556783164.db2.gz GOOMIOSXTLENNJ-HSZRJFAPSA-N 0 0 434.902 5.230 50 0 IKAARN Cc1csc(C2CCN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CC2)n1 ZINC000058378047 556784030 /nfs/dbraw/zinc/78/40/30/556784030.db2.gz PZOCRDHVYCBZEM-UHFFFAOYSA-N 0 0 435.574 5.855 50 0 IKAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)c1ccc2ccccc2c1 ZINC000058380470 556784254 /nfs/dbraw/zinc/78/42/54/556784254.db2.gz ZVAMFMSRGWQEFG-UHFFFAOYSA-N 0 0 425.410 5.330 50 0 IKAARN c1coc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000058391756 556784765 /nfs/dbraw/zinc/78/47/65/556784765.db2.gz WGNBFXLKRVXXEV-QGZVFWFLSA-N 0 0 435.530 5.592 50 0 IKAARN CCCC(=O)Nc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1C ZINC000058407803 556786289 /nfs/dbraw/zinc/78/62/89/556786289.db2.gz RFUPUUXKYNXKHS-UHFFFAOYSA-N 0 0 434.515 5.190 50 0 IKAARN C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCc2sccc2C1 ZINC000058415289 556786591 /nfs/dbraw/zinc/78/65/91/556786591.db2.gz KCXCRIWNKGVDED-ZDUSSCGKSA-N 0 0 448.375 5.628 50 0 IKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000058420827 556787357 /nfs/dbraw/zinc/78/73/57/556787357.db2.gz FPESYYXGWKSLLH-UHFFFAOYSA-N 0 0 444.438 5.767 50 0 IKAARN Cc1sc(=O)n(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1-c1ccc(F)cc1 ZINC000058434371 556788100 /nfs/dbraw/zinc/78/81/00/556788100.db2.gz QJSKMXQECULNMO-UHFFFAOYSA-N 0 0 439.556 5.043 50 0 IKAARN CO[C@@H]1CCN(c2ccc(NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)cc2)C1 ZINC000096381994 556789976 /nfs/dbraw/zinc/78/99/76/556789976.db2.gz ZBWLLLBFJVBIPL-JOCHJYFZSA-N 0 0 442.968 5.033 50 0 IKAARN Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c(=S)n3-c3ccccc3)s2)cc1Cl ZINC000058613520 556790600 /nfs/dbraw/zinc/79/06/00/556790600.db2.gz AOMKFEBJQUALAX-UHFFFAOYSA-N 0 0 440.981 5.796 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000062129309 556790721 /nfs/dbraw/zinc/79/07/21/556790721.db2.gz BKBARNSVVARKBF-UHFFFAOYSA-N 0 0 435.571 5.621 50 0 IKAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc2ccc(Br)cc2[nH]1 ZINC000058647978 556790979 /nfs/dbraw/zinc/79/09/79/556790979.db2.gz WCJKRRFVGNDKMQ-UHFFFAOYSA-N 0 0 438.350 5.870 50 0 IKAARN CC(C)c1c(C(=O)NC[C@H](c2ccccc2)C(C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058774904 556791994 /nfs/dbraw/zinc/79/19/94/556791994.db2.gz NYSIXSWXRHCEDI-IBGZPJMESA-N 0 0 444.501 5.579 50 0 IKAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000058978798 556793722 /nfs/dbraw/zinc/79/37/22/556793722.db2.gz OOFRZEQVLMDJFL-LJQANCHMSA-N 0 0 434.561 5.027 50 0 IKAARN CC(C)(C)c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C(C)(C)C)c1O ZINC000019536292 556794075 /nfs/dbraw/zinc/79/40/75/556794075.db2.gz KDMZCSDPGKOIGA-UHFFFAOYSA-N 0 0 438.612 5.034 50 0 IKAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000059258655 556796374 /nfs/dbraw/zinc/79/63/74/556796374.db2.gz AVXZWHRMZQHEBY-ZDUSSCGKSA-N 0 0 448.901 5.202 50 0 IKAARN C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000059258657 556796404 /nfs/dbraw/zinc/79/64/04/556796404.db2.gz AVXZWHRMZQHEBY-CYBMUJFWSA-N 0 0 448.901 5.202 50 0 IKAARN COc1ccc(CCNC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)cc1OC ZINC000034145009 556797265 /nfs/dbraw/zinc/79/72/65/556797265.db2.gz GQPRNTGEOTVYPE-HKEIOJSRSA-N 0 0 427.544 5.050 50 0 IKAARN Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000001790948 556797456 /nfs/dbraw/zinc/79/74/56/556797456.db2.gz TZHURQLFSOQNDM-NTCAYCPXSA-N 0 0 435.907 5.423 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000001986321 556798476 /nfs/dbraw/zinc/79/84/76/556798476.db2.gz CMNMNABGCDPKDS-UHFFFAOYSA-N 0 0 437.561 6.041 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccccc1 ZINC000033050450 556798554 /nfs/dbraw/zinc/79/85/54/556798554.db2.gz YSSIKGWFQNCGHN-UHFFFAOYSA-N 0 0 435.980 5.883 50 0 IKAARN CCCOc1c(Br)cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCC ZINC000002081282 556799096 /nfs/dbraw/zinc/79/90/96/556799096.db2.gz LOMKBUZBYNLDKX-PDGQHHTCSA-N 0 0 444.325 5.290 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000002444145 556799379 /nfs/dbraw/zinc/79/93/79/556799379.db2.gz SMSLICHFFQORQB-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000033050385 556799528 /nfs/dbraw/zinc/79/95/28/556799528.db2.gz BOWINMHWLXVBHA-UHFFFAOYSA-N 0 0 439.943 5.632 50 0 IKAARN O=c1c2ccc(Cl)cc2nc(SCc2cccc3ccccc32)n1Cc1ccccc1 ZINC000002616693 556800234 /nfs/dbraw/zinc/80/02/34/556800234.db2.gz YAXUEPXCYBLEAY-UHFFFAOYSA-N 0 0 442.971 6.544 50 0 IKAARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000002617771 556800340 /nfs/dbraw/zinc/80/03/40/556800340.db2.gz XZRJEHIHLILSKV-UHFFFAOYSA-N 0 0 443.977 6.009 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C ZINC000002619711 556800574 /nfs/dbraw/zinc/80/05/74/556800574.db2.gz XFZMUDSAKWIYBF-UHFFFAOYSA-N 0 0 428.561 5.289 50 0 IKAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1cccnc1 ZINC000002625129 556800775 /nfs/dbraw/zinc/80/07/75/556800775.db2.gz OCHJWUAWHSISSH-IBGZPJMESA-N 0 0 447.608 5.125 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)Nc1ccc(F)cc1 ZINC000033050790 556800905 /nfs/dbraw/zinc/80/09/05/556800905.db2.gz UGPNDBVYGMSXPG-UHFFFAOYSA-N 0 0 425.916 5.608 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1C ZINC000033050711 556801016 /nfs/dbraw/zinc/80/10/16/556801016.db2.gz PDDWGDSOPIOJBW-UHFFFAOYSA-N 0 0 435.980 6.086 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)c(C)c1 ZINC000002628181 556801124 /nfs/dbraw/zinc/80/11/24/556801124.db2.gz AGYCODZSXHFHDV-UHFFFAOYSA-N 0 0 443.930 6.520 50 0 IKAARN CCN(C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000002635024 556801347 /nfs/dbraw/zinc/80/13/47/556801347.db2.gz AYRQPOALUVFOJD-UHFFFAOYSA-N 0 0 444.918 5.765 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)C)c3ccccc3n2)o1 ZINC000002637248 556801676 /nfs/dbraw/zinc/80/16/76/556801676.db2.gz KAHARYOLUVSEMD-UHFFFAOYSA-N 0 0 442.515 5.397 50 0 IKAARN CCCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000002646319 556801859 /nfs/dbraw/zinc/80/18/59/556801859.db2.gz WWWKMNXHPRLNIR-UHFFFAOYSA-N 0 0 433.499 7.091 50 0 IKAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1OC(F)F ZINC000002650595 556802292 /nfs/dbraw/zinc/80/22/92/556802292.db2.gz NKCWLVDUFSQCNU-UHFFFAOYSA-N 0 0 431.822 5.190 50 0 IKAARN C(=C1\c2ccccc2-c2c1ccc1ccccc21)\c1cc2c3c(cccc3c1)-c1ccccc1-2 ZINC000059593469 556802816 /nfs/dbraw/zinc/80/28/16/556802816.db2.gz KBGHTAZKYDRVMS-ZCTHSVRISA-N 0 0 428.534 9.210 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c1 ZINC000002660581 556802864 /nfs/dbraw/zinc/80/28/64/556802864.db2.gz JKOBPJYERFQYTH-UHFFFAOYSA-N 0 0 430.938 5.948 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)s1 ZINC000002665007 556803035 /nfs/dbraw/zinc/80/30/35/556803035.db2.gz OZZWGRURQZWJAC-OAHLLOKOSA-N 0 0 440.594 5.140 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000059602181 556803097 /nfs/dbraw/zinc/80/30/97/556803097.db2.gz QUDPFNRHCIUVKC-UHFFFAOYSA-N 0 0 442.437 5.608 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NCCC1=CCCCC1 ZINC000002662310 556803157 /nfs/dbraw/zinc/80/31/57/556803157.db2.gz KZHVZFCIHYQPEX-UHFFFAOYSA-N 0 0 438.622 5.154 50 0 IKAARN CCOC(=O)c1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1 ZINC000003062636 556803770 /nfs/dbraw/zinc/80/37/70/556803770.db2.gz NADJVZMXJDWOFK-UHFFFAOYSA-N 0 0 425.421 6.158 50 0 IKAARN CC(C)(C)c1cc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc(C(C)(C)C)c1 ZINC000003175036 556804099 /nfs/dbraw/zinc/80/40/99/556804099.db2.gz OXBALOZTBDVAIM-UHFFFAOYSA-N 0 0 448.604 7.458 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc(F)c(F)c(F)c1F ZINC000003189242 556804119 /nfs/dbraw/zinc/80/41/19/556804119.db2.gz CWTFSEFEPHHGNW-UHFFFAOYSA-N 0 0 442.195 6.033 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1OC ZINC000003170911 556804124 /nfs/dbraw/zinc/80/41/24/556804124.db2.gz MVGKCFMRFVDXTM-UHFFFAOYSA-N 0 0 432.501 5.872 50 0 IKAARN CC1(C)CC(=O)C(C(c2c(Cl)cccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000136482087 556804372 /nfs/dbraw/zinc/80/43/72/556804372.db2.gz MQEOGESTFSOBMI-UHFFFAOYSA-N 0 0 437.363 5.226 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003202123 556804457 /nfs/dbraw/zinc/80/44/57/556804457.db2.gz FVRHOCCRGDGMIQ-QHHAFSJGSA-N 0 0 445.268 5.501 50 0 IKAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003247107 556804648 /nfs/dbraw/zinc/80/46/48/556804648.db2.gz QCUMJXPFFRZTQZ-ACCUITESSA-N 0 0 442.265 5.030 50 0 IKAARN C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003245287 556804716 /nfs/dbraw/zinc/80/47/16/556804716.db2.gz VNAXQZNFUYRHOQ-ZDUSSCGKSA-N 0 0 442.298 5.801 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)nc2-c2ccc(C)cc2)cc1 ZINC000003245399 556804746 /nfs/dbraw/zinc/80/47/46/556804746.db2.gz IQWMMXLPQXGTBE-UHFFFAOYSA-N 0 0 446.620 5.706 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl ZINC000003250022 556804977 /nfs/dbraw/zinc/80/49/77/556804977.db2.gz KMMGYJYIGXMSQY-UHFFFAOYSA-N 0 0 442.513 5.453 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000059842715 556805018 /nfs/dbraw/zinc/80/50/18/556805018.db2.gz JQUJRMKBFJXIEB-OAQYLSRUSA-N 0 0 448.569 5.945 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](OC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000003252973 556805141 /nfs/dbraw/zinc/80/51/41/556805141.db2.gz WCJPFLXMXKSFHQ-HXUWFJFHSA-N 0 0 444.270 5.259 50 0 IKAARN COC(=O)c1ccc(COc2ccc3c(c2)oc(C)c(-c2ccccc2Cl)c3=O)cc1 ZINC000003251585 556805178 /nfs/dbraw/zinc/80/51/78/556805178.db2.gz AHKBJVHOGUNLMU-UHFFFAOYSA-N 0 0 434.875 5.787 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc(Cl)cc(Cl)c1 ZINC000003213995 556805275 /nfs/dbraw/zinc/80/52/75/556805275.db2.gz HHNJSDZEGVIRNB-UHFFFAOYSA-N 0 0 425.340 7.036 50 0 IKAARN CSc1ccc(Cl)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000003219336 556805439 /nfs/dbraw/zinc/80/54/39/556805439.db2.gz LAHCGRIDTJCBNT-UHFFFAOYSA-N 0 0 425.937 5.125 50 0 IKAARN Cc1c(Cl)cccc1-n1c(-c2ccncc2)nn(CN(CC(C)C)CC(C)C)c1=S ZINC000003223083 556805704 /nfs/dbraw/zinc/80/57/04/556805704.db2.gz TXDCSANEHWJTGD-UHFFFAOYSA-N 0 0 444.048 5.999 50 0 IKAARN CCCNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1Cl ZINC000060017059 556805762 /nfs/dbraw/zinc/80/57/62/556805762.db2.gz VQCMIFGIIHVMAU-QFIPXVFZSA-N 0 0 438.980 5.952 50 0 IKAARN C[C@H](NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000003230311 556805959 /nfs/dbraw/zinc/80/59/59/556805959.db2.gz BUTBLDYLADGGTI-KRWDZBQOSA-N 0 0 439.964 5.667 50 0 IKAARN CCOC(=O)c1c2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc2oc1-c1ccccc1 ZINC000003229571 556805990 /nfs/dbraw/zinc/80/59/90/556805990.db2.gz WWNQDDFJYCZKRU-UHFFFAOYSA-N 0 0 449.890 5.947 50 0 IKAARN O=C(/C=C\c1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000034221980 556806006 /nfs/dbraw/zinc/80/60/06/556806006.db2.gz VANKDHAUOYRUAM-GHXNOFRVSA-N 0 0 435.277 5.615 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)N(c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000003230753 556806033 /nfs/dbraw/zinc/80/60/33/556806033.db2.gz MTZCQGCQJXPBNL-UHFFFAOYSA-N 0 0 447.318 6.486 50 0 IKAARN C[C@@H](NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000003230312 556806038 /nfs/dbraw/zinc/80/60/38/556806038.db2.gz BUTBLDYLADGGTI-QGZVFWFLSA-N 0 0 439.964 5.667 50 0 IKAARN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000060035529 556806061 /nfs/dbraw/zinc/80/60/61/556806061.db2.gz KRIVYVIDDDPVLY-UHFFFAOYSA-N 0 0 444.837 5.288 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCCc1ccc(Cl)c(Cl)c1 ZINC000060034732 556806129 /nfs/dbraw/zinc/80/61/29/556806129.db2.gz FHWPVOCCGMZLOD-UHFFFAOYSA-N 0 0 436.770 5.563 50 0 IKAARN CCOc1ccc(NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000003231599 556806281 /nfs/dbraw/zinc/80/62/81/556806281.db2.gz KQQJEZICBZPBQZ-UHFFFAOYSA-N 0 0 448.544 5.260 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cc2c(s1)CCC2 ZINC000003231226 556806304 /nfs/dbraw/zinc/80/63/04/556806304.db2.gz JUPAZYNLTQIBFS-UHFFFAOYSA-N 0 0 431.966 6.048 50 0 IKAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(SC(F)F)cc1 ZINC000003234647 556806311 /nfs/dbraw/zinc/80/63/11/556806311.db2.gz XUMBIAMKOYQZEF-UHFFFAOYSA-N 0 0 441.455 5.421 50 0 IKAARN CC(C)c1ccccc1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003234509 556806317 /nfs/dbraw/zinc/80/63/17/556806317.db2.gz ADYGRRHUMQCKPJ-UHFFFAOYSA-N 0 0 445.544 5.520 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000003231267 556806362 /nfs/dbraw/zinc/80/63/62/556806362.db2.gz CPSHTGOYXHDEQZ-UHFFFAOYSA-N 0 0 444.535 5.145 50 0 IKAARN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003239070 556806545 /nfs/dbraw/zinc/80/65/45/556806545.db2.gz VYXOEDBGANAQRW-UHFFFAOYSA-N 0 0 441.525 5.678 50 0 IKAARN O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003239104 556806557 /nfs/dbraw/zinc/80/65/57/556806557.db2.gz RDYRVKDWFJQWJE-UHFFFAOYSA-N 0 0 427.498 5.749 50 0 IKAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003239176 556806616 /nfs/dbraw/zinc/80/66/16/556806616.db2.gz MQDDPUXCGBBSMX-UHFFFAOYSA-N 0 0 444.717 5.780 50 0 IKAARN C[C@@H](Nc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 ZINC000060100686 556806629 /nfs/dbraw/zinc/80/66/29/556806629.db2.gz NAFGYSUFEFKYJK-IEBWSBKVSA-N 0 0 435.959 5.158 50 0 IKAARN C[C@H](Nc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 ZINC000060100683 556806658 /nfs/dbraw/zinc/80/66/58/556806658.db2.gz NAFGYSUFEFKYJK-PKOBYXMFSA-N 0 0 435.959 5.158 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1OCc1ccccc1Cl ZINC000003291805 556806865 /nfs/dbraw/zinc/80/68/65/556806865.db2.gz IKKHEUMKBGNQRS-UHFFFAOYSA-N 0 0 427.931 6.762 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(F)cc2)cc1 ZINC000003243065 556806886 /nfs/dbraw/zinc/80/68/86/556806886.db2.gz RJQBCMFNEZIAMN-UHFFFAOYSA-N 0 0 432.520 5.623 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000003254501 556807158 /nfs/dbraw/zinc/80/71/58/556807158.db2.gz AUTYSBPLCFSOEA-LFIBNONCSA-N 0 0 432.495 5.567 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccccc2C(C)C)cc1 ZINC000003263975 556807382 /nfs/dbraw/zinc/80/73/82/556807382.db2.gz RGLCKLRYNXVRLB-UHFFFAOYSA-N 0 0 433.552 6.498 50 0 IKAARN Clc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)c(Cl)c1 ZINC000003263858 556807472 /nfs/dbraw/zinc/80/74/72/556807472.db2.gz HYUFCEJRSJDZIW-UHFFFAOYSA-N 0 0 438.449 7.035 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)ccc1Br ZINC000003270499 556807610 /nfs/dbraw/zinc/80/76/10/556807610.db2.gz 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ZINC000003282348 556808399 /nfs/dbraw/zinc/80/83/99/556808399.db2.gz CDPRUXIERCMOJM-UHFFFAOYSA-N 0 0 430.529 5.079 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1ccccc1OC(F)F ZINC000003282433 556808469 /nfs/dbraw/zinc/80/84/69/556808469.db2.gz MGGBUVYPKFOFIR-UHFFFAOYSA-N 0 0 448.425 5.299 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)ccc1OC(F)F ZINC000003286817 556808656 /nfs/dbraw/zinc/80/86/56/556808656.db2.gz AUMNRVCJAKFCCJ-XVNBXDOJSA-N 0 0 432.648 5.364 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)Nc1cccc(Cl)c1 ZINC000003303368 556808887 /nfs/dbraw/zinc/80/88/87/556808887.db2.gz LWCLHWKDAMBWFD-UHFFFAOYSA-N 0 0 448.375 5.549 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN(C)Cc1ccccc1 ZINC000003289423 556808905 /nfs/dbraw/zinc/80/89/05/556808905.db2.gz UMERIUMPKVQDDU-UHFFFAOYSA-N 0 0 442.968 5.316 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccc(Cl)cc2)n1C1CCCC1)CCCC3 ZINC000003288189 556808958 /nfs/dbraw/zinc/80/89/58/556808958.db2.gz BHROUIIQWROERW-UHFFFAOYSA-N 0 0 431.026 6.398 50 0 IKAARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)N1c2ccccc2Sc2ccccc21 ZINC000003288019 556809003 /nfs/dbraw/zinc/80/90/03/556809003.db2.gz XNILBTNLUHJNIF-UHFFFAOYSA-N 0 0 445.418 5.572 50 0 IKAARN Clc1ccc(SCc2nc3sc4c(c3c(NC[C@H]3CCCO3)n2)CCC4)cc1 ZINC000003304535 556809122 /nfs/dbraw/zinc/80/91/22/556809122.db2.gz LRMLZIAYIHLCFF-CQSZACIVSA-N 0 0 432.014 5.717 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)OCc1ccccc1 ZINC000003305364 556809217 /nfs/dbraw/zinc/80/92/17/556809217.db2.gz JVEWVIKITJRWHN-UHFFFAOYSA-N 0 0 441.505 5.358 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1Cl ZINC000003311327 556809501 /nfs/dbraw/zinc/80/95/01/556809501.db2.gz BVIURKXOXQVALD-FQEVSTJZSA-N 0 0 447.840 6.204 50 0 IKAARN O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000003315722 556809649 /nfs/dbraw/zinc/80/96/49/556809649.db2.gz SKDABWLLHZPJRK-UHFFFAOYSA-N 0 0 440.754 5.285 50 0 IKAARN O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1 ZINC000003314434 556809668 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Cc1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)c(C)c1 ZINC000003294556 556810947 /nfs/dbraw/zinc/81/09/47/556810947.db2.gz DMABZGYZAYRHFO-UHFFFAOYSA-N 0 0 440.638 5.818 50 0 IKAARN Cc1noc(C)c1COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000003296304 556810970 /nfs/dbraw/zinc/81/09/70/556810970.db2.gz TYQIQLPJXXRSNR-UHFFFAOYSA-N 0 0 437.293 5.626 50 0 IKAARN Cc1cc(C(=O)COc2ncnc3scc(-c4ccccc4)c32)c(C)n1CCC(C)C ZINC000003302488 556811464 /nfs/dbraw/zinc/81/14/64/556811464.db2.gz RHSCYGCYOPQKRI-UHFFFAOYSA-N 0 0 433.577 6.084 50 0 IKAARN O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)s1 ZINC000003302287 556811521 /nfs/dbraw/zinc/81/15/21/556811521.db2.gz RBEYSACGWULMKR-UHFFFAOYSA-N 0 0 437.369 6.387 50 0 IKAARN CCC(CC)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000003360899 556811755 /nfs/dbraw/zinc/81/17/55/556811755.db2.gz FNTYQXZYRCFVCR-UHFFFAOYSA-N 0 0 436.625 5.629 50 0 IKAARN CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc(OC(F)F)cc2)s1 ZINC000003367841 556811986 /nfs/dbraw/zinc/81/19/86/556811986.db2.gz ONZBGFGWEWAXDY-UHFFFAOYSA-N 0 0 437.493 5.257 50 0 IKAARN O=C(CC1CCCC1)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003366014 556812080 /nfs/dbraw/zinc/81/20/80/556812080.db2.gz AKXMXXPRJCJWOE-FQEVSTJZSA-N 0 0 439.861 6.162 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@H]3C)cc(=O)oc2c1 ZINC000003365640 556812116 /nfs/dbraw/zinc/81/21/16/556812116.db2.gz YHGDNZZBCVIOSX-UTKZUKDTSA-N 0 0 446.576 5.798 50 0 IKAARN O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(OC(F)F)cc1 ZINC000003369276 556812126 /nfs/dbraw/zinc/81/21/26/556812126.db2.gz YVJJWMPAOZTRSV-UHFFFAOYSA-N 0 0 428.504 6.712 50 0 IKAARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cccc(Oc2ccccc2)c1 ZINC000003335305 556812421 /nfs/dbraw/zinc/81/24/21/556812421.db2.gz NQVHNQQSMSCTEB-UHFFFAOYSA-N 0 0 440.286 5.746 50 0 IKAARN O=C(COC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 ZINC000003331840 556812440 /nfs/dbraw/zinc/81/24/40/556812440.db2.gz OZFXFOJHOOJLBP-UHFFFAOYSA-N 0 0 425.278 5.068 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000003330460 556812581 /nfs/dbraw/zinc/81/25/81/556812581.db2.gz XDCAQBSRUYRNAF-UHFFFAOYSA-N 0 0 443.930 6.750 50 0 IKAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)c1ccc(Br)cc1 ZINC000003335411 556812799 /nfs/dbraw/zinc/81/27/99/556812799.db2.gz DLCMZHYVDYWHJG-NSHDSACASA-N 0 0 433.396 5.696 50 0 IKAARN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000003337025 556812877 /nfs/dbraw/zinc/81/28/77/556812877.db2.gz XSPZFQUHGFKEJF-UHFFFAOYSA-N 0 0 448.566 5.697 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000003338158 556812881 /nfs/dbraw/zinc/81/28/81/556812881.db2.gz GDENISTWLMOHJC-LPYMAVHISA-N 0 0 447.918 5.889 50 0 IKAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3cccc(Br)c3)c2C1 ZINC000003342288 556813036 /nfs/dbraw/zinc/81/30/36/556813036.db2.gz CHDYSZUATNPALX-AWEZNQCLSA-N 0 0 438.321 5.162 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2-c2ccccc2)cc1 ZINC000003344174 556813214 /nfs/dbraw/zinc/81/32/14/556813214.db2.gz CCDDEMCQPXFSTK-UHFFFAOYSA-N 0 0 448.514 5.002 50 0 IKAARN CSc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2s1 ZINC000003342657 556813367 /nfs/dbraw/zinc/81/33/67/556813367.db2.gz CWITVYODTCJNLX-HNNXBMFYSA-N 0 0 435.574 6.250 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1Cc1cccs1 ZINC000003352006 556813845 /nfs/dbraw/zinc/81/38/45/556813845.db2.gz DXNGLQYOTIWSTB-UHFFFAOYSA-N 0 0 432.339 5.017 50 0 IKAARN CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000003389286 556814029 /nfs/dbraw/zinc/81/40/29/556814029.db2.gz YNOHHYQXBXIXNY-UHFFFAOYSA-N 0 0 426.438 5.007 50 0 IKAARN Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000003406436 556814383 /nfs/dbraw/zinc/81/43/83/556814383.db2.gz VKYMQCDTTFIWCZ-UHFFFAOYSA-N 0 0 448.954 5.535 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C ZINC000003407473 556814719 /nfs/dbraw/zinc/81/47/19/556814719.db2.gz RFGQLGJDIDBCNE-JTQLQIEISA-N 0 0 444.866 5.175 50 0 IKAARN Fc1ccccc1-n1c(SC(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 ZINC000003419799 556814997 /nfs/dbraw/zinc/81/49/97/556814997.db2.gz HJCRYUQFGDKFTK-UHFFFAOYSA-N 0 0 438.531 6.350 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)N[C@H](C)CCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000005477837 556815709 /nfs/dbraw/zinc/81/57/09/556815709.db2.gz XUXZMSUIHGSGOL-GOSISDBHSA-N 0 0 429.568 5.409 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000021809167 556816149 /nfs/dbraw/zinc/81/61/49/556816149.db2.gz KJESNXRXLAFWKB-BXZDMCNWSA-N 0 0 435.593 5.125 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccc(OC)c(OC)c3)n2C2CCCCC2)c1 ZINC000003379072 556816305 /nfs/dbraw/zinc/81/63/05/556816305.db2.gz NXXGEMHRRPSXQQ-UHFFFAOYSA-N 0 0 439.581 5.768 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1cc(C)ccc1C ZINC000003376559 556816322 /nfs/dbraw/zinc/81/63/22/556816322.db2.gz OUNJSYPUAFZCSY-UHFFFAOYSA-N 0 0 425.575 5.939 50 0 IKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCc1cccc(Br)c1 ZINC000033059999 556816433 /nfs/dbraw/zinc/81/64/33/556816433.db2.gz QXKKDBIAGFKMFN-UHFFFAOYSA-N 0 0 440.366 5.396 50 0 IKAARN CC[C@H](C)n1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O ZINC000003507402 556817061 /nfs/dbraw/zinc/81/70/61/556817061.db2.gz KQRQQAQSHLWBOU-NSHDSACASA-N 0 0 437.384 5.167 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(C)C ZINC000003597775 556817964 /nfs/dbraw/zinc/81/79/64/556817964.db2.gz SQPXHQXODBNHRU-UHFFFAOYSA-N 0 0 443.016 5.384 50 0 IKAARN CCn1c(COc2cc(C)ccc2C)nnc1SCc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000033064386 556818996 /nfs/dbraw/zinc/81/89/96/556818996.db2.gz GCMPLPQHUYWCTE-UHFFFAOYSA-N 0 0 448.592 5.244 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3c2C1 ZINC000005508713 556819172 /nfs/dbraw/zinc/81/91/72/556819172.db2.gz YGUDNDMRQRUJAA-SFHVURJKSA-N 0 0 425.594 6.392 50 0 IKAARN CCc1ccc2[nH]c(CSc3nnc(COc4cc(C)ccc4C)n3CC)cc(=O)c2c1 ZINC000033067743 556819625 /nfs/dbraw/zinc/81/96/25/556819625.db2.gz ORUXIWRGRHNZFJ-UHFFFAOYSA-N 0 0 448.592 5.190 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccc(C)c(C)c4)ccc3C)nc2c1 ZINC000033068078 556820511 /nfs/dbraw/zinc/82/05/11/556820511.db2.gz FGSVFUCTIUDIRK-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c(Cl)c1 ZINC000033068184 556820840 /nfs/dbraw/zinc/82/08/40/556820840.db2.gz RFLFCYZCMIEIHS-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc3)cc(=O)n2c1 ZINC000033068179 556820849 /nfs/dbraw/zinc/82/08/49/556820849.db2.gz KNRWQIHAOQOZBZ-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN C[C@H](NC(=S)N=[P@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 ZINC000005519548 556820860 /nfs/dbraw/zinc/82/08/60/556820860.db2.gz OZNNEBVFCDKOKT-HMILPKGGSA-N 0 0 429.570 5.195 50 0 IKAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3)cc(=O)n2c1 ZINC000033068194 556821152 /nfs/dbraw/zinc/82/11/52/556821152.db2.gz RFKGQEFKEWVCGQ-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000033068239 556821493 /nfs/dbraw/zinc/82/14/93/556821493.db2.gz OFKOKFPLZQNVPO-FQEVSTJZSA-N 0 0 447.922 5.059 50 0 IKAARN CCc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)cc1 ZINC000033068261 556821605 /nfs/dbraw/zinc/82/16/05/556821605.db2.gz XRFIOXNBEWEMAB-UHFFFAOYSA-N 0 0 448.910 5.133 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)c3ccccc3F)CC1)=Nc1ccccc1O2 ZINC000096503421 556821885 /nfs/dbraw/zinc/82/18/85/556821885.db2.gz FJFUGOAQQSOCEV-UHFFFAOYSA-N 0 0 429.495 5.166 50 0 IKAARN CCCCC1CCC(C(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)CC1 ZINC000033068322 556822075 /nfs/dbraw/zinc/82/20/75/556822075.db2.gz OYZHBOGQZLPECZ-UHFFFAOYSA-N 0 0 447.579 5.517 50 0 IKAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000064450509 556824207 /nfs/dbraw/zinc/82/42/07/556824207.db2.gz QOAZOZULHPBGBR-UHFFFAOYSA-N 0 0 429.498 5.022 50 0 IKAARN COc1ccc(-c2nc3ccccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000004855403 556824267 /nfs/dbraw/zinc/82/42/67/556824267.db2.gz ADXKFJFAJSDTQS-UHFFFAOYSA-N 0 0 428.576 7.002 50 0 IKAARN O=C(Nc1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1)c1ccccc1Cl ZINC000064526641 556824355 /nfs/dbraw/zinc/82/43/55/556824355.db2.gz VOPMBIGDDLBGFR-UHFFFAOYSA-N 0 0 432.951 5.373 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)c1C ZINC000064661944 556825715 /nfs/dbraw/zinc/82/57/15/556825715.db2.gz IQFWGYVWEXPZRE-AREMUKBSSA-N 0 0 443.572 5.055 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1C ZINC000064661988 556826001 /nfs/dbraw/zinc/82/60/01/556826001.db2.gz UBECJFBBVCWATL-AREMUKBSSA-N 0 0 443.572 5.055 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000064662191 556826160 /nfs/dbraw/zinc/82/61/60/556826160.db2.gz IZOIBFLRHGLGQJ-RUZDIDTESA-N 0 0 435.593 5.133 50 0 IKAARN CCc1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(C)cc4)cs3)c2C)cc1 ZINC000064790170 556826644 /nfs/dbraw/zinc/82/66/44/556826644.db2.gz HRQXLQOBBYUSQT-UHFFFAOYSA-N 0 0 430.577 5.665 50 0 IKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccco2)s1 ZINC000064790082 556826655 /nfs/dbraw/zinc/82/66/55/556826655.db2.gz BFIWKTFSLKCDCJ-NRFANRHFSA-N 0 0 433.489 5.227 50 0 IKAARN COc1ccc(OC)c([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000064790087 556826661 /nfs/dbraw/zinc/82/66/61/556826661.db2.gz YCCSTSPOQXGOPD-JOCHJYFZSA-N 0 0 449.532 5.516 50 0 IKAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1CC(=O)Nc1cc(Cl)ccc1C ZINC000064790107 556826704 /nfs/dbraw/zinc/82/67/04/556826704.db2.gz ZRCURMHYLYAIIQ-UHFFFAOYSA-N 0 0 436.968 5.756 50 0 IKAARN Cc1cc([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccco2)s1 ZINC000064790081 556826724 /nfs/dbraw/zinc/82/67/24/556826724.db2.gz BFIWKTFSLKCDCJ-OAQYLSRUSA-N 0 0 433.489 5.227 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)Nc1ccc(C)cc1 ZINC000064790151 556826731 /nfs/dbraw/zinc/82/67/31/556826731.db2.gz DPRIXKACZKWRQS-UHFFFAOYSA-N 0 0 436.968 5.756 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1cccc(Cl)c1 ZINC000064790178 556827030 /nfs/dbraw/zinc/82/70/30/556827030.db2.gz YYTLKRQZFTUPRZ-UHFFFAOYSA-N 0 0 436.968 5.756 50 0 IKAARN COc1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(C)cc4)cs3)c2C)cc1 ZINC000064790204 556827047 /nfs/dbraw/zinc/82/70/47/556827047.db2.gz IZNCLNATIFOLTK-UHFFFAOYSA-N 0 0 432.549 5.111 50 0 IKAARN CCc1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(F)cc4)cs3)c2C)cc1 ZINC000064790228 556827058 /nfs/dbraw/zinc/82/70/58/556827058.db2.gz XIOITWDTBUHBND-UHFFFAOYSA-N 0 0 434.540 5.495 50 0 IKAARN CC(=O)c1cccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(C)cc4)cs3)c2C)c1 ZINC000064790186 556827067 /nfs/dbraw/zinc/82/70/67/556827067.db2.gz ZGQPXNXHGLPVDK-UHFFFAOYSA-N 0 0 444.560 5.305 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000005476341 556827090 /nfs/dbraw/zinc/82/70/90/556827090.db2.gz MZBJFZXPHYOWJE-GOSISDBHSA-N 0 0 426.560 7.558 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NC2CCCCCC2)c1 ZINC000064816940 556827585 /nfs/dbraw/zinc/82/75/85/556827585.db2.gz CXUTYDDZHWHGKO-UHFFFAOYSA-N 0 0 438.597 5.295 50 0 IKAARN Cc1ccc(Cn2c(=O)oc3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc32)cc1 ZINC000064894423 556828807 /nfs/dbraw/zinc/82/88/07/556828807.db2.gz ZMGKFUMZANFLNL-UHFFFAOYSA-N 0 0 426.394 5.222 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1cc(C)ccc1C ZINC000033068668 556828892 /nfs/dbraw/zinc/82/88/92/556828892.db2.gz ZGYKWDCIJHOCRE-UHFFFAOYSA-N 0 0 443.572 5.577 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1 ZINC000064894039 556828915 /nfs/dbraw/zinc/82/89/15/556828915.db2.gz XLZIZJXAOVWQLS-UHFFFAOYSA-N 0 0 430.357 5.053 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000033068680 556829089 /nfs/dbraw/zinc/82/90/89/556829089.db2.gz VHZQWFAHCYIDSB-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN COc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1 ZINC000033068706 556829127 /nfs/dbraw/zinc/82/91/27/556829127.db2.gz CJEOUJBPBOMJRW-UHFFFAOYSA-N 0 0 429.545 5.268 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1Cl ZINC000033068677 556829130 /nfs/dbraw/zinc/82/91/30/556829130.db2.gz LWGUZUSNEWOSDV-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1cccc(C)c1C ZINC000033068670 556829159 /nfs/dbraw/zinc/82/91/59/556829159.db2.gz SJHYBMBYVQFNJU-UHFFFAOYSA-N 0 0 443.572 5.577 50 0 IKAARN CSc1cccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)c1 ZINC000064950159 556829649 /nfs/dbraw/zinc/82/96/49/556829649.db2.gz SCKFSAWDSCHJPE-UHFFFAOYSA-N 0 0 440.528 5.441 50 0 IKAARN CSc1cccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)c1 ZINC000064950154 556829726 /nfs/dbraw/zinc/82/97/26/556829726.db2.gz CPHHDAHCBGBTMU-UHFFFAOYSA-N 0 0 446.919 5.478 50 0 IKAARN COc1ccc([C@H](Nc2ccccc2I)[C@H]2CCCCC2=O)cc1 ZINC000002589194 556829782 /nfs/dbraw/zinc/82/97/82/556829782.db2.gz SALSQZUNPVNDJT-JXFKEZNVSA-N 0 0 435.305 5.212 50 0 IKAARN COc1ccc([C@H](Nc2ccccc2I)[C@@H]2CCCCC2=O)cc1 ZINC000002589196 556829819 /nfs/dbraw/zinc/82/98/19/556829819.db2.gz SALSQZUNPVNDJT-UZLBHIALSA-N 0 0 435.305 5.212 50 0 IKAARN O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004619 556831767 /nfs/dbraw/zinc/83/17/67/556831767.db2.gz NMABVYSSYASBEY-UHFFFAOYSA-N 0 0 436.986 5.235 50 0 IKAARN O=C1COc2ccc(Cl)cc2N1Cc1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC000065005113 556831893 /nfs/dbraw/zinc/83/18/93/556831893.db2.gz IIDXYRDNKSNCOL-UHFFFAOYSA-N 0 0 433.851 5.108 50 0 IKAARN COc1cccc(-c2nc(-c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)no2)c1OC ZINC000065005284 556832040 /nfs/dbraw/zinc/83/20/40/556832040.db2.gz KAMTZHLOVQMRSR-UHFFFAOYSA-N 0 0 431.448 5.172 50 0 IKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4cccc(NC(C)=O)c4)n3)cc2)cc1 ZINC000065005341 556832070 /nfs/dbraw/zinc/83/20/70/556832070.db2.gz ZNWNIBVBNSFLHD-UHFFFAOYSA-N 0 0 428.448 5.113 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000019630067 556832119 /nfs/dbraw/zinc/83/21/19/556832119.db2.gz DXNRTVSSUYNGSP-UHFFFAOYSA-N 0 0 439.540 6.347 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C(C)C ZINC000019630270 556832291 /nfs/dbraw/zinc/83/22/91/556832291.db2.gz QUARUUNJINFRSZ-UHFFFAOYSA-N 0 0 439.566 5.282 50 0 IKAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000019630427 556832328 /nfs/dbraw/zinc/83/23/28/556832328.db2.gz PLYBXZXBFLLWTJ-KRWDZBQOSA-N 0 0 439.606 5.212 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1csc(C)c1C ZINC000019631763 556832698 /nfs/dbraw/zinc/83/26/98/556832698.db2.gz JBAWRJDUVHFPMO-UHFFFAOYSA-N 0 0 440.516 5.393 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1 ZINC000033068826 556832748 /nfs/dbraw/zinc/83/27/48/556832748.db2.gz XWHHSRBBJQEFKV-UHFFFAOYSA-N 0 0 447.535 5.489 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1 ZINC000033068849 556832851 /nfs/dbraw/zinc/83/28/51/556832851.db2.gz JSZBUBWJZCJEOH-UHFFFAOYSA-N 0 0 445.563 5.961 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(N(C)C)cc3)c(NCc3cccc(C)c3)n2c1C ZINC000065315821 556833095 /nfs/dbraw/zinc/83/30/95/556833095.db2.gz YPBJVYTVBJBGDC-UHFFFAOYSA-N 0 0 448.592 5.534 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(C)cc3C)c(NCc3cccc(F)c3)n2c1C ZINC000065315892 556833348 /nfs/dbraw/zinc/83/33/48/556833348.db2.gz UFZVHHRQJKSXEF-UHFFFAOYSA-N 0 0 437.540 5.916 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(OC)c3)c(NCc3ccc(F)cc3)n2c1C ZINC000065315849 556833414 /nfs/dbraw/zinc/83/34/14/556833414.db2.gz GMUCBHXLJAJOTF-UHFFFAOYSA-N 0 0 439.512 5.308 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(CC)cc3)c(NCc3cccc(F)c3)n2c1C ZINC000065315875 556833428 /nfs/dbraw/zinc/83/34/28/556833428.db2.gz OEZUWVOSOJMQRO-UHFFFAOYSA-N 0 0 437.540 5.862 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(N(C)C)cc3)c(NC3CCCCC3)n2c1C ZINC000065318743 556833451 /nfs/dbraw/zinc/83/34/51/556833451.db2.gz MMNPTCHEFWHVED-UHFFFAOYSA-N 0 0 426.586 5.359 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(CC)cc3)c(NCc3ccc(C)cc3)n2c1C ZINC000065315858 556833455 /nfs/dbraw/zinc/83/34/55/556833455.db2.gz KXXQPWPHUMPITP-UHFFFAOYSA-N 0 0 433.577 6.031 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3cc(Cl)ccc3n2)s1 ZINC000019633420 556833498 /nfs/dbraw/zinc/83/34/98/556833498.db2.gz SUDAXVNDZHYZPS-UHFFFAOYSA-N 0 0 441.383 6.763 50 0 IKAARN Cc1sc2[nH]c(=S)n(-c3ccc(Cc4ccncc4)cc3)c(=O)c2c1-c1ccccc1 ZINC000019634706 556834465 /nfs/dbraw/zinc/83/44/65/556834465.db2.gz OWPSBUODWOHAOH-UHFFFAOYSA-N 0 0 441.581 6.071 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl ZINC000019634871 556834617 /nfs/dbraw/zinc/83/46/17/556834617.db2.gz QVCOROYQRQONSJ-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN Cc1cccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccc(Cl)cc3)nc12 ZINC000019635118 556834637 /nfs/dbraw/zinc/83/46/37/556834637.db2.gz NDUYAVYDHWWASG-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)c2cccc(Cl)c2n1 ZINC000019635110 556834698 /nfs/dbraw/zinc/83/46/98/556834698.db2.gz UIYPUTSKJYZRNJ-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN CC[C@H](NC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000019635211 556834799 /nfs/dbraw/zinc/83/47/99/556834799.db2.gz MKUUXNLYKDNHST-HBRISMIWSA-N 0 0 442.003 5.606 50 0 IKAARN CC[C@@H](NC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000019635206 556834856 /nfs/dbraw/zinc/83/48/56/556834856.db2.gz MKUUXNLYKDNHST-OIBAJTQMSA-N 0 0 442.003 5.606 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N[C@H](C)c1nn(CC)cc1C ZINC000019637013 556835743 /nfs/dbraw/zinc/83/57/43/556835743.db2.gz RRRKWCVKRSZEBA-OAHLLOKOSA-N 0 0 442.610 5.164 50 0 IKAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000019637491 556835975 /nfs/dbraw/zinc/83/59/75/556835975.db2.gz USEFSWVHTUSZCO-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN C=Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)cc1 ZINC000019637821 556836110 /nfs/dbraw/zinc/83/61/10/556836110.db2.gz ZAKKXSVCSVGHAB-UHFFFAOYSA-N 0 0 443.388 7.288 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2cc3c(cc2N1C(=O)Cc1ccccc1)OCCO3 ZINC000334160457 556836667 /nfs/dbraw/zinc/83/66/67/556836667.db2.gz FCYZQNWEFVZBPH-UHFFFAOYSA-N 0 0 441.599 5.802 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2cc3c(cc2N1C(=O)c1ccccc1F)OCCO3 ZINC000334160694 556836792 /nfs/dbraw/zinc/83/67/92/556836792.db2.gz JYUMOVZDLUKGQP-UHFFFAOYSA-N 0 0 445.562 6.012 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc32)c1 ZINC000019640558 556837094 /nfs/dbraw/zinc/83/70/94/556837094.db2.gz IXYJQUYUDVYBRS-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccccc3C)n2)cc1OC ZINC000019641019 556837325 /nfs/dbraw/zinc/83/73/25/556837325.db2.gz LJCNOMJFMBFBQU-UHFFFAOYSA-N 0 0 444.531 5.608 50 0 IKAARN O=C1N[C@H](c2ccccc2OCc2ccc(F)cc2)Nc2sc(Cc3ccccc3)cc21 ZINC000019641005 556837347 /nfs/dbraw/zinc/83/73/47/556837347.db2.gz NCOSASZHVTZYFW-DEOSSOPVSA-N 0 0 444.531 5.911 50 0 IKAARN O=C1N[C@@H](c2ccccc2OCc2ccc(F)cc2)Nc2sc(Cc3ccccc3)cc21 ZINC000019640997 556837350 /nfs/dbraw/zinc/83/73/50/556837350.db2.gz NCOSASZHVTZYFW-XMMPIXPASA-N 0 0 444.531 5.911 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000096601960 556837539 /nfs/dbraw/zinc/83/75/39/556837539.db2.gz NAMVEPSDWRWGMF-OAQYLSRUSA-N 0 0 439.906 5.164 50 0 IKAARN CCCCCCN(CCCCCC)C1=N/C(=C/c2ccccc2)C(=O)N1c1ccccc1 ZINC000096602035 556837812 /nfs/dbraw/zinc/83/78/12/556837812.db2.gz SGZHGMCXVQTQPD-WNAAXNPUSA-N 0 0 431.624 6.893 50 0 IKAARN COc1ccc(C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)cc1 ZINC000096602247 556837817 /nfs/dbraw/zinc/83/78/17/556837817.db2.gz KBRXIFVFPIVNDX-NRFANRHFSA-N 0 0 434.750 7.082 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1cccc(Cl)c1 ZINC000019642640 556837852 /nfs/dbraw/zinc/83/78/52/556837852.db2.gz JGHWEGUPMVNSGQ-UHFFFAOYSA-N 0 0 445.009 5.774 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1ccc(Cl)cc1 ZINC000019642644 556837886 /nfs/dbraw/zinc/83/78/86/556837886.db2.gz HXUHQJZRYIUPJP-UHFFFAOYSA-N 0 0 445.009 5.774 50 0 IKAARN c1ncn(C2CCN(c3nc(-c4ccccc4)nc4scc(-c5ccccc5)c43)CC2)n1 ZINC000062582580 556838500 /nfs/dbraw/zinc/83/85/00/556838500.db2.gz TXAMLFHPRILLTF-UHFFFAOYSA-N 0 0 438.560 5.458 50 0 IKAARN CCCn1c2ccccc2nc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000019644449 556839170 /nfs/dbraw/zinc/83/91/70/556839170.db2.gz BZRHZGQWYVCTAV-UHFFFAOYSA-N 0 0 446.461 5.346 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2c1 ZINC000019644930 556839411 /nfs/dbraw/zinc/83/94/11/556839411.db2.gz DNYMBOVYCZYOCF-UHFFFAOYSA-N 0 0 446.554 6.324 50 0 IKAARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000019645320 556839802 /nfs/dbraw/zinc/83/98/02/556839802.db2.gz KIZYPMNWPLJDDS-UHFFFAOYSA-N 0 0 446.635 6.305 50 0 IKAARN O=C(CCCC(=O)N1CCC(Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000019645322 556839832 /nfs/dbraw/zinc/83/98/32/556839832.db2.gz SRHVDMITTSKNCH-UHFFFAOYSA-N 0 0 446.635 5.119 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)C[C@H](C)CC2 ZINC000019645310 556839837 /nfs/dbraw/zinc/83/98/37/556839837.db2.gz CUWPNYRCQJNUEN-GFCCVEGCSA-N 0 0 446.619 5.390 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2n1 ZINC000019646367 556840511 /nfs/dbraw/zinc/84/05/11/556840511.db2.gz WHDJEZJDGYQYBY-UKTHLTGXSA-N 0 0 447.582 5.681 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000019646865 556840712 /nfs/dbraw/zinc/84/07/12/556840712.db2.gz UASLTCFDAJVWQU-UHFFFAOYSA-N 0 0 448.341 5.527 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3cccc(F)c3)n2)cc1OC ZINC000019647184 556840913 /nfs/dbraw/zinc/84/09/13/556840913.db2.gz GNOQNQODSOPKAS-UHFFFAOYSA-N 0 0 448.494 5.439 50 0 IKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)o1 ZINC000019648229 556841363 /nfs/dbraw/zinc/84/13/63/556841363.db2.gz UDGGFVWPSHFBJX-UHFFFAOYSA-N 0 0 448.950 6.532 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc2c3c(cccc31)CC2)[C@H](c1ccccc1)C1CCCC1 ZINC000067194125 556842008 /nfs/dbraw/zinc/84/20/08/556842008.db2.gz IOEOKVOYHXSRMC-FIRIVFDPSA-N 0 0 445.606 7.118 50 0 IKAARN CCOc1ccc2[nH]c(SCc3nnc(-c4ccccc4Br)o3)nc2c1 ZINC000008709802 556843007 /nfs/dbraw/zinc/84/30/07/556843007.db2.gz XEAMCWJDDKHOFB-UHFFFAOYSA-N 0 0 431.315 5.066 50 0 IKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000067692130 556845924 /nfs/dbraw/zinc/84/59/24/556845924.db2.gz VOWWRIXMJYJISM-VWLOTQADSA-N 0 0 437.543 5.807 50 0 IKAARN COc1cccc(-c2nc(CSc3nn(-c4ccc(F)cc4)c(=S)s3)cs2)c1 ZINC000008825005 556849062 /nfs/dbraw/zinc/84/90/62/556849062.db2.gz SIZHTDNHCHIRDL-UHFFFAOYSA-N 0 0 447.607 6.227 50 0 IKAARN O=c1oc2ccc(Br)cc2c(-c2cnn(-c3ccccc3)c2)c1-c1ccccc1 ZINC000068712467 556849293 /nfs/dbraw/zinc/84/92/93/556849293.db2.gz IIKVJMCPTJGTTE-UHFFFAOYSA-N 0 0 443.300 6.075 50 0 IKAARN CCc1ccc(N(C(=O)CSCc2c(C)noc2C)c2nc3ccccc3s2)cc1 ZINC000008880809 556850596 /nfs/dbraw/zinc/85/05/96/556850596.db2.gz VPMOHTSSMJIYEB-UHFFFAOYSA-N 0 0 437.590 6.062 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 ZINC000008862414 556851559 /nfs/dbraw/zinc/85/15/59/556851559.db2.gz GXNPBRVXKDKRNR-IRXDYDNUSA-N 0 0 438.572 5.037 50 0 IKAARN CCOc1cc(OCc2ccccc2)ccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000008989915 556853316 /nfs/dbraw/zinc/85/33/16/556853316.db2.gz XQGNLMGWTGGCKR-HMAPJEAMSA-N 0 0 433.891 5.662 50 0 IKAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)s1 ZINC000033078249 556853301 /nfs/dbraw/zinc/85/33/01/556853301.db2.gz SDMBJUHZORQTLY-CYBMUJFWSA-N 0 0 434.487 5.128 50 0 IKAARN C[C@@H]1CC[C@H]2[C@]3(C)CO[C@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000008952589 556853329 /nfs/dbraw/zinc/85/33/29/556853329.db2.gz CVOGMLCVYFNXLE-LSCZBPMWSA-N 0 0 440.580 5.188 50 0 biogenic IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000033085309 556855323 /nfs/dbraw/zinc/85/53/23/556855323.db2.gz FBDNAUMUOJMZIQ-UHFFFAOYSA-N 0 0 442.922 5.101 50 0 IKAARN CCc1ccc(NC(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 ZINC000033085271 556855387 /nfs/dbraw/zinc/85/53/87/556855387.db2.gz ZFTCMZHYVSXJCN-UHFFFAOYSA-N 0 0 438.959 5.216 50 0 IKAARN Cc1c(C(=O)NCc2ccc(OC(C)C)cc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084409 556855397 /nfs/dbraw/zinc/85/53/97/556855397.db2.gz WPWJJDHLMCDHRP-UHFFFAOYSA-N 0 0 438.597 5.016 50 0 IKAARN Cc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c(Cl)c1 ZINC000033088387 556856388 /nfs/dbraw/zinc/85/63/88/556856388.db2.gz HSLVUCHMRAZSCZ-UHFFFAOYSA-N 0 0 449.795 5.163 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088423 556856397 /nfs/dbraw/zinc/85/63/97/556856397.db2.gz BMBRYSZWLDBRFA-LBPRGKRZSA-N 0 0 429.402 5.169 50 0 IKAARN O=C(NCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085752 556856665 /nfs/dbraw/zinc/85/66/65/556856665.db2.gz QUYXJIQKIUUKND-UHFFFAOYSA-N 0 0 438.918 5.875 50 0 IKAARN COCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000033085715 556856671 /nfs/dbraw/zinc/85/66/71/556856671.db2.gz FWRRBLSWIHQKAI-UHFFFAOYSA-N 0 0 434.927 5.020 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000033085726 556856724 /nfs/dbraw/zinc/85/67/24/556856724.db2.gz MGWXBGSCMTVIGH-UHFFFAOYSA-N 0 0 448.954 5.874 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085761 556856748 /nfs/dbraw/zinc/85/67/48/556856748.db2.gz PVZWPPSAIWAHCC-UHFFFAOYSA-N 0 0 440.453 5.500 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085793 556856762 /nfs/dbraw/zinc/85/67/62/556856762.db2.gz JKMFPMUXPXCKRH-UHFFFAOYSA-N 0 0 438.918 5.875 50 0 IKAARN Cc1cc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c(C)c1 ZINC000033089240 556857858 /nfs/dbraw/zinc/85/78/58/556857858.db2.gz POROARZTJUIXMX-CQSZACIVSA-N 0 0 425.326 5.059 50 0 IKAARN COc1ccc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)cc1 ZINC000033096863 556858217 /nfs/dbraw/zinc/85/82/17/556858217.db2.gz CYZOURFAUDNZNR-ZROIWOOFSA-N 0 0 433.305 5.327 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N[C@@H](C)Cc3ccco3)c3ccccc3n2)cc1 ZINC000033106287 556858508 /nfs/dbraw/zinc/85/85/08/556858508.db2.gz OFIVFAYXSAHWAS-KRWDZBQOSA-N 0 0 427.504 5.204 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)cc1 ZINC000033106343 556858839 /nfs/dbraw/zinc/85/88/39/556858839.db2.gz SFLYVFHECDKNNP-UHFFFAOYSA-N 0 0 439.515 5.820 50 0 IKAARN COc1cccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)c1 ZINC000033106366 556858869 /nfs/dbraw/zinc/85/88/69/556858869.db2.gz SSKXMWKJNXMVAV-UHFFFAOYSA-N 0 0 439.515 5.107 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccc(C)cc21 ZINC000033106382 556858894 /nfs/dbraw/zinc/85/88/94/556858894.db2.gz GVLOXYCMSHKHOS-UHFFFAOYSA-N 0 0 439.515 5.738 50 0 IKAARN COc1ccccc1CNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccc(C)cc21 ZINC000033106365 556858917 /nfs/dbraw/zinc/85/89/17/556858917.db2.gz ZPWIQOMMGFINTJ-UHFFFAOYSA-N 0 0 439.515 5.107 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000033113283 556859903 /nfs/dbraw/zinc/85/99/03/556859903.db2.gz WWBZEIPWBUAYPV-GOSISDBHSA-N 0 0 449.580 5.073 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1C ZINC000033113222 556859920 /nfs/dbraw/zinc/85/99/20/556859920.db2.gz FWBIEGDTSWLWNE-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2nc1NC1CCCCCC1 ZINC000033114435 556861297 /nfs/dbraw/zinc/86/12/97/556861297.db2.gz IIVBXRDABIDBNI-UHFFFAOYSA-N 0 0 429.973 5.392 50 0 IKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000033116294 556862027 /nfs/dbraw/zinc/86/20/27/556862027.db2.gz CCINWZZQEGUZTC-UHFFFAOYSA-N 0 0 445.563 5.350 50 0 IKAARN CCc1ccccc1S(=O)(=O)Nc1ccccc1CCc1nc2ccccc2n1CC ZINC000033116530 556862319 /nfs/dbraw/zinc/86/23/19/556862319.db2.gz ZZLBGVDEPGFAIZ-UHFFFAOYSA-N 0 0 433.577 5.205 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033116576 556862325 /nfs/dbraw/zinc/86/23/25/556862325.db2.gz RRQQKOKLAAYZDL-UHFFFAOYSA-N 0 0 425.941 5.111 50 0 IKAARN CC(=O)N1CCC(N(C(=S)Nc2cccc(C(F)(F)F)c2)C2CCCCC2)CC1 ZINC000004667973 556862368 /nfs/dbraw/zinc/86/23/68/556862368.db2.gz LRBNQAHWMWATMT-UHFFFAOYSA-N 0 0 427.536 5.048 50 0 IKAARN CCn1c(CCc2ccccc2NS(=O)(=O)c2cc(C)c(C)cc2C)nc2ccccc21 ZINC000033116528 556862375 /nfs/dbraw/zinc/86/23/75/556862375.db2.gz GWDZDUOTTPGYQJ-UHFFFAOYSA-N 0 0 447.604 5.567 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000033122058 556863074 /nfs/dbraw/zinc/86/30/74/556863074.db2.gz YSWNIWOQYPKJRQ-UHFFFAOYSA-N 0 0 437.956 5.442 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n2ncnc2n1 ZINC000033122203 556863181 /nfs/dbraw/zinc/86/31/81/556863181.db2.gz KVFKVFOWBKYCBV-UHFFFAOYSA-N 0 0 438.944 5.525 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000033122237 556863295 /nfs/dbraw/zinc/86/32/95/556863295.db2.gz TZXXPPGENPUFOO-UHFFFAOYSA-N 0 0 436.516 5.320 50 0 IKAARN COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124118 556864218 /nfs/dbraw/zinc/86/42/18/556864218.db2.gz GLRLJMWAKHNZGE-UHFFFAOYSA-N 0 0 437.908 6.047 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(C(=O)OC)cc3)cc21 ZINC000033129207 556865963 /nfs/dbraw/zinc/86/59/63/556865963.db2.gz IJXUGENRKGLFDZ-UHFFFAOYSA-N 0 0 441.487 5.731 50 0 IKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc21 ZINC000033129178 556866049 /nfs/dbraw/zinc/86/60/49/556866049.db2.gz SYDHPQFSMSKXCY-UHFFFAOYSA-N 0 0 427.460 5.326 50 0 IKAARN COC(=O)c1sccc1NC(=O)Nc1ccc2nc(-c3ccccc3)cc(OC)c2c1 ZINC000033129186 556866104 /nfs/dbraw/zinc/86/61/04/556866104.db2.gz MLDCVOQCRBYTDI-UHFFFAOYSA-N 0 0 433.489 5.403 50 0 IKAARN CCc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000033125756 556866714 /nfs/dbraw/zinc/86/67/14/556866714.db2.gz ZUDHEAZJOOFGRV-UHFFFAOYSA-N 0 0 428.964 5.358 50 0 IKAARN CC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(Cl)cc3)cc2n1 ZINC000033126318 556867058 /nfs/dbraw/zinc/86/70/58/556867058.db2.gz SAVFGNQNUCPHRY-UHFFFAOYSA-N 0 0 434.971 5.489 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1Cl ZINC000033126458 556867361 /nfs/dbraw/zinc/86/73/61/556867361.db2.gz XHWJTEHRLFQXJT-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN CCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000033129231 556868284 /nfs/dbraw/zinc/86/82/84/556868284.db2.gz ZRCAKFMENDMTSF-UHFFFAOYSA-N 0 0 441.487 5.488 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129514 556868650 /nfs/dbraw/zinc/86/86/50/556868650.db2.gz IRLMHTPQBKUDRM-UHFFFAOYSA-N 0 0 432.505 5.510 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1C ZINC000033130013 556869467 /nfs/dbraw/zinc/86/94/67/556869467.db2.gz LOCODHBJQDFFSD-UHFFFAOYSA-N 0 0 448.588 5.397 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129968 556869599 /nfs/dbraw/zinc/86/95/99/556869599.db2.gz HJMRGQQNTLMQKL-UHFFFAOYSA-N 0 0 440.952 5.044 50 0 IKAARN CCCCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCCC)cc1 ZINC000004674572 556870186 /nfs/dbraw/zinc/87/01/86/556870186.db2.gz WQXFSXIOTSFCNV-RUZDIDTESA-N 0 0 428.617 5.490 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4cc(F)cc(F)c4)cc3)n2)cc1 ZINC000033130360 556870330 /nfs/dbraw/zinc/87/03/30/556870330.db2.gz PZJXVJAGVDWICQ-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN Cc1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000033130340 556870337 /nfs/dbraw/zinc/87/03/37/556870337.db2.gz PZUHSFHHGBTJNL-UHFFFAOYSA-N 0 0 442.540 5.715 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)n2)cc1 ZINC000033130356 556870384 /nfs/dbraw/zinc/87/03/84/556870384.db2.gz GAICPAREWPZEND-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)c(OC)c1 ZINC000033130442 556870409 /nfs/dbraw/zinc/87/04/09/556870409.db2.gz HXOIQSYFEYDRHT-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)N[C@@H](C)c4ccc(C)cc4)c3)n2)cc1 ZINC000033130496 556870541 /nfs/dbraw/zinc/87/05/41/556870541.db2.gz NDOOOSBIBDOEEJ-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4cccc(Cl)c4)c3)n2)cc1 ZINC000033130481 556870554 /nfs/dbraw/zinc/87/05/54/556870554.db2.gz VEFOXMLNFKFOIE-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)n1 ZINC000033130545 556870581 /nfs/dbraw/zinc/87/05/81/556870581.db2.gz IGZJRLZKPAHCJS-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3nccc(Oc4ccccc4OC)n3)c2)cc1 ZINC000033130534 556870609 /nfs/dbraw/zinc/87/06/09/556870609.db2.gz FEVCSSCBPGZADO-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2cccc(C(C)=O)c2)n1 ZINC000033130657 556870831 /nfs/dbraw/zinc/87/08/31/556870831.db2.gz WDLJEUYQXNDMGU-UHFFFAOYSA-N 0 0 428.492 5.160 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)n2)c1 ZINC000033130600 556870914 /nfs/dbraw/zinc/87/09/14/556870914.db2.gz MBXLMFCCAZGGAE-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)c1 ZINC000033130597 556870931 /nfs/dbraw/zinc/87/09/31/556870931.db2.gz HMYUFCKRSNISCR-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)nn1 ZINC000033130875 556871062 /nfs/dbraw/zinc/87/10/62/556871062.db2.gz IWDLPIQMHZHGEB-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN O=C(Nc1c2cc(F)ccc2[nH]c1-c1ccncc1)Nc1ccccc1Br ZINC000033130804 556871093 /nfs/dbraw/zinc/87/10/93/556871093.db2.gz CQWGBPQRNCHZLL-UHFFFAOYSA-N 0 0 425.261 5.776 50 0 IKAARN COc1ccccc1NC(=O)c1cccc(-c2ccc(Oc3ccccc3OC)nn2)c1 ZINC000033131023 556871354 /nfs/dbraw/zinc/87/13/54/556871354.db2.gz QKQMGXWAZJPQAN-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCCCCC1CCC(c2ccc(-c3ccc(-c4noc(CCCC)n4)cc3)cc2)CC1 ZINC000004675677 556872423 /nfs/dbraw/zinc/87/24/23/556872423.db2.gz ZRMAUUXSJNTAEJ-UHFFFAOYSA-N 0 0 430.636 8.600 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139129 556873082 /nfs/dbraw/zinc/87/30/82/556873082.db2.gz WIWSVUZCDQOMNR-GOSISDBHSA-N 0 0 427.479 5.874 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1OC ZINC000033139121 556873094 /nfs/dbraw/zinc/87/30/94/556873094.db2.gz IRPRFBIMWIIQEM-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139114 556873129 /nfs/dbraw/zinc/87/31/29/556873129.db2.gz OQVPZXLBQMRALD-UHFFFAOYSA-N 0 0 427.479 6.451 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1 ZINC000033139269 556874059 /nfs/dbraw/zinc/87/40/59/556874059.db2.gz OWIFIOVZEHIGOX-UHFFFAOYSA-N 0 0 441.556 5.896 50 0 IKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)nc2)cc1 ZINC000033139305 556874071 /nfs/dbraw/zinc/87/40/71/556874071.db2.gz KLUTXMAWDNXOTB-UHFFFAOYSA-N 0 0 439.471 5.268 50 0 IKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)nc1 ZINC000033139258 556874119 /nfs/dbraw/zinc/87/41/19/556874119.db2.gz YPWJHSRGNPRQRW-AREMUKBSSA-N 0 0 435.527 6.052 50 0 IKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)nc1 ZINC000033139278 556874153 /nfs/dbraw/zinc/87/41/53/556874153.db2.gz SHRVCNYQSGKAID-UHFFFAOYSA-N 0 0 429.907 5.828 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(F)cc4)cn3)cc2)c(OC)c1 ZINC000033139291 556874169 /nfs/dbraw/zinc/87/41/69/556874169.db2.gz VLTSNWAPVXSGPX-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(Oc3nccnc3Sc3ccccc3)cc2)c1 ZINC000033139983 556875100 /nfs/dbraw/zinc/87/51/00/556875100.db2.gz GZIYGGTVXZRORL-UHFFFAOYSA-N 0 0 427.529 6.289 50 0 IKAARN Cc1ccccc1CNC(=O)c1ccc(Oc2nccnc2Sc2ccc(F)cc2)cc1 ZINC000033139938 556875127 /nfs/dbraw/zinc/87/51/27/556875127.db2.gz RSEGDCXESMWQBV-UHFFFAOYSA-N 0 0 445.519 5.798 50 0 IKAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NCCCOC(C)C)cc2)cc1 ZINC000033139955 556875136 /nfs/dbraw/zinc/87/51/36/556875136.db2.gz LHKWMRHHZLUGJK-UHFFFAOYSA-N 0 0 437.565 5.273 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(Oc3nccnc3Sc3ccccc3)cc2)c1 ZINC000033139990 556875139 /nfs/dbraw/zinc/87/51/39/556875139.db2.gz NABUKQGUFRTLOA-UHFFFAOYSA-N 0 0 443.528 5.359 50 0 biogenic IKAARN O=C(Nc1ccc(F)cc1F)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139971 556875150 /nfs/dbraw/zinc/87/51/50/556875150.db2.gz QZZRKZROUUDIMR-UHFFFAOYSA-N 0 0 435.455 5.951 50 0 IKAARN CCOCCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139896 556875179 /nfs/dbraw/zinc/87/51/79/556875179.db2.gz YUORCTXIBUTTNS-UHFFFAOYSA-N 0 0 443.956 5.230 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc3ccccc3c1)CC2 ZINC000019732655 556876689 /nfs/dbraw/zinc/87/66/89/556876689.db2.gz AZBZPIPASSJNGS-NDEPHWFRSA-N 0 0 443.974 6.658 50 0 IKAARN c1ccc(CCCOc2cccc(NCc3ccccc3OCCc3ccccc3)c2)cc1 ZINC000019738513 556877002 /nfs/dbraw/zinc/87/70/02/556877002.db2.gz SRFGJUXUZQFCDN-UHFFFAOYSA-N 0 0 437.583 6.932 50 0 IKAARN CC(C)(C)c1ccc(OCCNc2ccccc2OCc2ccccc2)c(C(C)(C)C)c1 ZINC000019738499 556877016 /nfs/dbraw/zinc/87/70/16/556877016.db2.gz CQTNPANULKCZOD-UHFFFAOYSA-N 0 0 431.620 7.352 50 0 IKAARN CCCCCCOc1cccc(NCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 ZINC000019738340 556877060 /nfs/dbraw/zinc/87/70/60/556877060.db2.gz GHLBTPXHULRYJG-UHFFFAOYSA-N 0 0 425.657 7.732 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000033141913 556877445 /nfs/dbraw/zinc/87/74/45/556877445.db2.gz IXCCJCQCIGCXLQ-UHFFFAOYSA-N 0 0 436.943 5.394 50 0 IKAARN CCCC[C@H](CC)COc1c2ccsc2c(OC[C@@H](CC)CCCC)c2ccsc21 ZINC000071261112 556879931 /nfs/dbraw/zinc/87/99/31/556879931.db2.gz HATOWNJGYIVNBU-PMACEKPBSA-N 0 0 446.722 9.306 50 0 IKAARN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000033169049 556881114 /nfs/dbraw/zinc/88/11/14/556881114.db2.gz KPVIVGZIEZSTKV-UHFFFAOYSA-N 0 0 436.892 5.696 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169044 556881177 /nfs/dbraw/zinc/88/11/77/556881177.db2.gz RQFQWEOBOLZPGH-UHFFFAOYSA-N 0 0 442.993 6.541 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169051 556881424 /nfs/dbraw/zinc/88/14/24/556881424.db2.gz ZRRXZUMYNOAOEC-UHFFFAOYSA-N 0 0 449.384 6.379 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1OC ZINC000033169118 556881469 /nfs/dbraw/zinc/88/14/69/556881469.db2.gz NTBMSAKDMUJZLA-UHFFFAOYSA-N 0 0 440.546 5.090 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)sc2c1 ZINC000033169208 556881551 /nfs/dbraw/zinc/88/15/51/556881551.db2.gz VHEBWUYBSAMXMO-UHFFFAOYSA-N 0 0 430.938 5.426 50 0 IKAARN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169055 556881555 /nfs/dbraw/zinc/88/15/55/556881555.db2.gz NTWJYXRXIXKVFB-UHFFFAOYSA-N 0 0 449.384 6.212 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)sc2c1 ZINC000033169214 556881854 /nfs/dbraw/zinc/88/18/54/556881854.db2.gz MPDISERBOQUIGJ-UHFFFAOYSA-N 0 0 432.473 5.051 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2sc3ncccc3c2-n2cccc2)cc1)c1ccco1 ZINC000033171367 556882293 /nfs/dbraw/zinc/88/22/93/556882293.db2.gz QNMNMUMINJNERQ-UHFFFAOYSA-N 0 0 428.473 5.185 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000033171483 556882655 /nfs/dbraw/zinc/88/26/55/556882655.db2.gz AEUJTBOJSNGIDA-UHFFFAOYSA-N 0 0 431.395 5.198 50 0 IKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(C)cc3Br)CC2)s1 ZINC000033171969 556882862 /nfs/dbraw/zinc/88/28/62/556882862.db2.gz BXVOUYIJHLCDFJ-UHFFFAOYSA-N 0 0 444.398 5.531 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CC=C(c2ccccc2)CC1 ZINC000033173421 556883250 /nfs/dbraw/zinc/88/32/50/556883250.db2.gz MPZZSFVKUAJFBX-UHFFFAOYSA-N 0 0 448.466 5.147 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000033173645 556883612 /nfs/dbraw/zinc/88/36/12/556883612.db2.gz FNELRCHMHXQZAT-UHFFFAOYSA-N 0 0 438.471 5.847 50 0 IKAARN CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C ZINC000033173762 556883700 /nfs/dbraw/zinc/88/37/00/556883700.db2.gz XNSQVWOKQWKZOL-UHFFFAOYSA-N 0 0 430.473 5.118 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc1OC ZINC000033169297 556884478 /nfs/dbraw/zinc/88/44/78/556884478.db2.gz DTVRQDHQMSPRBU-UHFFFAOYSA-N 0 0 428.488 5.895 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1Cl ZINC000033169324 556884527 /nfs/dbraw/zinc/88/45/27/556884527.db2.gz XJOYGOYAWJFJOA-UHFFFAOYSA-N 0 0 449.894 6.323 50 0 IKAARN COc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc1Cl ZINC000033169492 556884729 /nfs/dbraw/zinc/88/47/29/556884729.db2.gz SGOGLANWMQQJRP-UHFFFAOYSA-N 0 0 428.988 5.260 50 0 IKAARN Cc1nc(-c2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)c(C)s2)sc1C ZINC000033169481 556884773 /nfs/dbraw/zinc/88/47/73/556884773.db2.gz WWJQRXTZPSJEDJ-UHFFFAOYSA-N 0 0 430.620 5.275 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1 ZINC000033170075 556885544 /nfs/dbraw/zinc/88/55/44/556885544.db2.gz CQDIUHALRIDMNM-UHFFFAOYSA-N 0 0 434.546 5.012 50 0 IKAARN CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)N(C(C)C)C(=O)c2ccccc2O3)c1C ZINC000033170923 556886624 /nfs/dbraw/zinc/88/66/24/556886624.db2.gz QPLVIHCMCYKTKN-UHFFFAOYSA-N 0 0 443.503 5.367 50 0 IKAARN O=C(Cc1ccccc1CCc1ccccc1)NCc1ccccc1CCc1ccccc1 ZINC000071769507 556887870 /nfs/dbraw/zinc/88/78/70/556887870.db2.gz DPJSCYICCHBDNI-UHFFFAOYSA-N 0 0 433.595 6.116 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)Sc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000071770745 556888094 /nfs/dbraw/zinc/88/80/94/556888094.db2.gz UOJFYOVEFIPXLS-UHFFFAOYSA-N 0 0 449.959 6.162 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000033215803 556888312 /nfs/dbraw/zinc/88/83/12/556888312.db2.gz DCZVEZGQQAYIPZ-UHFFFAOYSA-N 0 0 427.863 6.134 50 0 IKAARN Ic1ccc(/C=C/c2ccc(I)cc2)cc1 ZINC000071791111 556888375 /nfs/dbraw/zinc/88/83/75/556888375.db2.gz BYEYAZGFUKIZPM-OWOJBTEDSA-N 0 0 432.042 5.066 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccccc32)cc1 ZINC000033249278 556888966 /nfs/dbraw/zinc/88/89/66/556888966.db2.gz PVYBMUAPAFYKHY-UHFFFAOYSA-N 0 0 436.577 5.063 50 0 IKAARN CC(=O)N1CCC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCCCC2)CC1 ZINC000004712734 556890282 /nfs/dbraw/zinc/89/02/82/556890282.db2.gz CASFWVZBYSHNIJ-UHFFFAOYSA-N 0 0 426.388 5.561 50 0 IKAARN COc1cc(OCc2ccccn2)ccc1C=Cc1cc(C=Cc2ccc3cc[nH]c3c2)n[nH]1 ZINC000146352234 556890812 /nfs/dbraw/zinc/89/08/12/556890812.db2.gz AMBZHNVCLPHAKA-NSJFVGFPSA-N 0 0 448.526 6.214 50 0 IKAARN COc1ccc(Cl)cc1Nc1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2n1 ZINC000033250483 556891534 /nfs/dbraw/zinc/89/15/34/556891534.db2.gz PFEQUOGSEAFLQJ-UHFFFAOYSA-N 0 0 445.972 5.061 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251053 556891632 /nfs/dbraw/zinc/89/16/32/556891632.db2.gz MKZOCZLZTPJQFF-IBGZPJMESA-N 0 0 445.485 5.745 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251095 556891694 /nfs/dbraw/zinc/89/16/94/556891694.db2.gz LJVLMYZGJYDSSK-SFHVURJKSA-N 0 0 431.458 5.239 50 0 IKAARN CC[C@@H](C(=O)N(CC)c1ccccc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251110 556891900 /nfs/dbraw/zinc/89/19/00/556891900.db2.gz RJJBVUCIWZEJNW-SFHVURJKSA-N 0 0 431.458 5.036 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000033252140 556892411 /nfs/dbraw/zinc/89/24/11/556892411.db2.gz MSEAKVXQPWQXAM-UHFFFAOYSA-N 0 0 448.954 5.305 50 0 IKAARN CCOc1ccc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000033252148 556892433 /nfs/dbraw/zinc/89/24/33/556892433.db2.gz XQVSBTFDHXEBND-UHFFFAOYSA-N 0 0 428.536 5.042 50 0 IKAARN O=C(NCc1ccc(F)cc1Cl)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1 ZINC000033252535 556893163 /nfs/dbraw/zinc/89/31/63/556893163.db2.gz YZMISHXWQLDFCS-UHFFFAOYSA-N 0 0 439.849 5.282 50 0 IKAARN Cc1cccc(-c2noc(-c3cn(Cc4ccc(NC(=O)Cc5ccccc5)cc4)cn3)n2)c1 ZINC000033254853 556894456 /nfs/dbraw/zinc/89/44/56/556894456.db2.gz BDOQFPIJNXIXBO-UHFFFAOYSA-N 0 0 449.514 5.138 50 0 IKAARN C[C@@H](NC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1ccccc1 ZINC000033255151 556894776 /nfs/dbraw/zinc/89/47/76/556894776.db2.gz HHSNSZQATORGCA-LJQANCHMSA-N 0 0 439.515 5.078 50 0 IKAARN C[C@H](NC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1ccccc1 ZINC000033255152 556894831 /nfs/dbraw/zinc/89/48/31/556894831.db2.gz HHSNSZQATORGCA-IBGZPJMESA-N 0 0 439.515 5.078 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccc(C)cc4)nn3)cc2)cc1OC ZINC000033256997 556895425 /nfs/dbraw/zinc/89/54/25/556895425.db2.gz HVGZTNTXHSYVAZ-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000033257003 556895466 /nfs/dbraw/zinc/89/54/66/556895466.db2.gz LQSZINWPUZUJFS-UHFFFAOYSA-N 0 0 428.423 5.007 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)c(OC)c1 ZINC000033257035 556895471 /nfs/dbraw/zinc/89/54/71/556895471.db2.gz IIZZZCZDYGDZKT-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1OC ZINC000033256965 556895484 /nfs/dbraw/zinc/89/54/84/556895484.db2.gz DELGRKJXLCGHTI-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000033258246 556895956 /nfs/dbraw/zinc/89/59/56/556895956.db2.gz SARRSDQEXQVGAZ-UHFFFAOYSA-N 0 0 437.931 5.012 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1F ZINC000033258572 556896070 /nfs/dbraw/zinc/89/60/70/556896070.db2.gz LWRUDDWAMVKLOA-UHFFFAOYSA-N 0 0 435.434 5.029 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000033258594 556896321 /nfs/dbraw/zinc/89/63/21/556896321.db2.gz VKONXMWRUWQDFR-UHFFFAOYSA-N 0 0 441.535 5.874 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccccc1Cl ZINC000033258608 556896361 /nfs/dbraw/zinc/89/63/61/556896361.db2.gz VKSULZFHXZPRPC-UHFFFAOYSA-N 0 0 433.899 5.404 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C)c(F)c1 ZINC000033258599 556896397 /nfs/dbraw/zinc/89/63/97/556896397.db2.gz HZAXKEUAIUIHFR-UHFFFAOYSA-N 0 0 431.471 5.198 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc(OC)c1 ZINC000033260937 556897680 /nfs/dbraw/zinc/89/76/80/556897680.db2.gz JUISYHHBCPVKDK-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000033260983 556897859 /nfs/dbraw/zinc/89/78/59/556897859.db2.gz PPLLXFFHXMYGMU-KRWDZBQOSA-N 0 0 442.494 5.526 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc3)nn2)c(C)c1C ZINC000072117798 556898490 /nfs/dbraw/zinc/89/84/90/556898490.db2.gz GXEYKYZHUYHOEV-UHFFFAOYSA-N 0 0 441.539 5.592 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033261297 556898827 /nfs/dbraw/zinc/89/88/27/556898827.db2.gz JWDILIYJOJANNQ-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc(OC)c1 ZINC000033261259 556898849 /nfs/dbraw/zinc/89/88/49/556898849.db2.gz RBQMOPKKPJBKIQ-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c1 ZINC000033261307 556899528 /nfs/dbraw/zinc/89/95/28/556899528.db2.gz CGLHICDWIACHMT-KRWDZBQOSA-N 0 0 442.494 5.526 50 0 IKAARN COc1ccc(NC(=O)CSCc2ccc(-c3nc(-c4cccc(C)c4)no3)o2)cc1 ZINC000033262375 556902008 /nfs/dbraw/zinc/90/20/08/556902008.db2.gz WXYBXNYVNVSQKS-UHFFFAOYSA-N 0 0 435.505 5.186 50 0 IKAARN Clc1ccc2c(c1)[C@H](N1CCOCC1)/C(=C/COc1ccc(Cl)cc1Cl)O2 ZINC000019770708 556912853 /nfs/dbraw/zinc/91/28/53/556912853.db2.gz FHHSQACDRWHZBS-YMCXVSFCSA-N 0 0 426.727 5.375 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019787703 556914120 /nfs/dbraw/zinc/91/41/20/556914120.db2.gz GCLBBKFCXQYBAI-UHFFFAOYSA-N 0 0 435.365 5.074 50 0 IKAARN Brc1ccccc1CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019789538 556914593 /nfs/dbraw/zinc/91/45/93/556914593.db2.gz WBPGVECLLIMNMW-UHFFFAOYSA-N 0 0 437.381 5.559 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2n(Cc2ccc(Br)cc2)c1=N ZINC000019799507 556916950 /nfs/dbraw/zinc/91/69/50/556916950.db2.gz IBZIUAJOVALDNF-UHFFFAOYSA-N 0 0 436.353 5.120 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1Cl)N1NC=NC1=N2 ZINC000019799279 556917069 /nfs/dbraw/zinc/91/70/69/556917069.db2.gz ZQUHRYQPJMGUNJ-GOTSBHOMSA-N 0 0 447.325 5.798 50 0 IKAARN O=C(NCCc1nc2cccnc2n1C1CCCCC1)Nc1ccccc1Br ZINC000033263706 556917248 /nfs/dbraw/zinc/91/72/48/556917248.db2.gz LNZIUTQATHMYTA-UHFFFAOYSA-N 0 0 442.361 5.063 50 0 IKAARN CCOc1ccc(C2=C(CN3CCOCC3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000019802689 556917986 /nfs/dbraw/zinc/91/79/86/556917986.db2.gz SDILMVGNWPKUBF-HHHXNRCGSA-N 0 0 445.534 5.492 50 0 IKAARN Cc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000019811144 556919037 /nfs/dbraw/zinc/91/90/37/556919037.db2.gz HDLGFYIKGZHGBW-UHFFFAOYSA-N 0 0 448.035 7.486 50 0 IKAARN Cc1ccc(Cn2c(CCNC(=O)Nc3ccc(C)cc3Cl)nc3cccnc32)cc1 ZINC000033263723 556919560 /nfs/dbraw/zinc/91/95/60/556919560.db2.gz MPZXIHUVHFNSJY-UHFFFAOYSA-N 0 0 433.943 5.114 50 0 IKAARN COc1ccccc1-c1noc(CCCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000019816361 556919644 /nfs/dbraw/zinc/91/96/44/556919644.db2.gz ZSGXFBUCEOBNCG-UHFFFAOYSA-N 0 0 425.488 5.278 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000019822971 556924678 /nfs/dbraw/zinc/92/46/78/556924678.db2.gz DGFACSGYTYGWIK-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2F)cc1 ZINC000019823118 556924707 /nfs/dbraw/zinc/92/47/07/556924707.db2.gz SBFIUOUKCUXLNH-UHFFFAOYSA-N 0 0 425.532 6.827 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccc2F)cc1 ZINC000019823136 556924948 /nfs/dbraw/zinc/92/49/48/556924948.db2.gz BGKFPCCZQHZMLO-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000019823203 556924978 /nfs/dbraw/zinc/92/49/78/556924978.db2.gz BRJILZUGBMUVOL-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccnc2)cc1 ZINC000019823846 556925124 /nfs/dbraw/zinc/92/51/24/556925124.db2.gz VHQXHBCUKOATPM-UHFFFAOYSA-N 0 0 430.577 5.928 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2cccnc2)cc1 ZINC000019823591 556925197 /nfs/dbraw/zinc/92/51/97/556925197.db2.gz QZRGRVSTRJCJAB-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2cccnc2)cc1 ZINC000019823578 556925233 /nfs/dbraw/zinc/92/52/33/556925233.db2.gz GGILFBRMZKUTDI-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1F ZINC000019824127 556925388 /nfs/dbraw/zinc/92/53/88/556925388.db2.gz GGTIRHSLUAANDQ-UHFFFAOYSA-N 0 0 442.903 5.359 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccco2)cc1 ZINC000019824042 556925391 /nfs/dbraw/zinc/92/53/91/556925391.db2.gz HKRGVBFGRXVVQI-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccco2)cc1 ZINC000019824596 556925651 /nfs/dbraw/zinc/92/56/51/556925651.db2.gz SRTYEBZUJIJNIP-UHFFFAOYSA-N 0 0 448.548 5.274 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2cccs2)cc1 ZINC000019824703 556925656 /nfs/dbraw/zinc/92/56/56/556925656.db2.gz CAMLGZOEHDDYTK-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2cccs2)cc1 ZINC000019824723 556925686 /nfs/dbraw/zinc/92/56/86/556925686.db2.gz WJPWFPJCFOTENU-UHFFFAOYSA-N 0 0 432.401 6.903 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2cccs2)cc1 ZINC000019824781 556925744 /nfs/dbraw/zinc/92/57/44/556925744.db2.gz AAPNKUZXYMMNAO-UHFFFAOYSA-N 0 0 434.590 5.652 50 0 IKAARN CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)c1 ZINC000019826851 556925888 /nfs/dbraw/zinc/92/58/88/556925888.db2.gz UKLUQNGTWLYILB-UHFFFAOYSA-N 0 0 426.545 5.757 50 0 IKAARN Clc1ccc(OCc2nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)cc1 ZINC000019827392 556925924 /nfs/dbraw/zinc/92/59/24/556925924.db2.gz IYARBVJTQCOOOP-UHFFFAOYSA-N 0 0 443.319 5.129 50 0 IKAARN CCN(CC)c1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(C)cc4)n[nH]3)s2)cc1 ZINC000019827770 556926237 /nfs/dbraw/zinc/92/62/37/556926237.db2.gz LYBAOGGCUBIKKI-UHFFFAOYSA-N 0 0 429.553 5.065 50 0 IKAARN COc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Cl)cc5Cl)nn43)[nH]n2)cc1 ZINC000019827735 556926293 /nfs/dbraw/zinc/92/62/93/556926293.db2.gz LJJCCGWYOCNRHY-UHFFFAOYSA-N 0 0 443.319 5.225 50 0 IKAARN CC(C)NC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccccc1 ZINC000019833810 556927713 /nfs/dbraw/zinc/92/77/13/556927713.db2.gz LUTHIAFIZSYXCV-DEDYPNTBSA-N 0 0 443.330 5.549 50 0 IKAARN CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000019851204 556930512 /nfs/dbraw/zinc/93/05/12/556930512.db2.gz MXDWGGPCECHONE-INIZCTEOSA-N 0 0 426.651 6.346 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCc1ccccc1F)CO3 ZINC000019882477 556937346 /nfs/dbraw/zinc/93/73/46/556937346.db2.gz UGOTZEKFFFKMST-UHFFFAOYSA-N 0 0 435.882 5.647 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccc2c(c1)OCO2)CO3 ZINC000019882431 556937356 /nfs/dbraw/zinc/93/73/56/556937356.db2.gz CDOHCYIUPLJUID-UHFFFAOYSA-N 0 0 447.874 5.194 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(CCc3ccc(Cl)cc3)CO2)cc1 ZINC000019882509 556937601 /nfs/dbraw/zinc/93/76/01/556937601.db2.gz CXUIHIMPXSJSKA-UHFFFAOYSA-N 0 0 447.918 5.517 50 0 biogenic IKAARN CN1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3c(-c3ccccc3)c2C1 ZINC000019889368 556938586 /nfs/dbraw/zinc/93/85/86/556938586.db2.gz BSUBHIPYCVXNAS-UHFFFAOYSA-N 0 0 448.979 5.439 50 0 IKAARN COc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1OCc1ccccc1 ZINC000019889514 556938871 /nfs/dbraw/zinc/93/88/71/556938871.db2.gz MRWCPRGKUQSHIE-UHFFFAOYSA-N 0 0 436.983 5.245 50 0 IKAARN COc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 ZINC000019889512 556938941 /nfs/dbraw/zinc/93/89/41/556938941.db2.gz NTMIDSFQGWHLQP-UHFFFAOYSA-N 0 0 436.983 5.245 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000019893291 556939821 /nfs/dbraw/zinc/93/98/21/556939821.db2.gz GZYJBBTUDLJBBG-URXFXBBRSA-N 0 0 437.326 6.054 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1ccc(Br)cc1)O2 ZINC000019893550 556940055 /nfs/dbraw/zinc/94/00/55/556940055.db2.gz DDXKFBPRSRVTLC-XLIONFOSSA-N 0 0 429.701 5.938 50 0 IKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 ZINC000019893350 556940094 /nfs/dbraw/zinc/94/00/94/556940094.db2.gz HFPTUUXSQVVIBT-XXBNENTESA-N 0 0 449.304 5.420 50 0 IKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1ccc(OC)cc1)n2C ZINC000019894344 556940311 /nfs/dbraw/zinc/94/03/11/556940311.db2.gz RBABHMUAMHGKNJ-UHFFFAOYSA-N 0 0 432.951 6.000 50 0 IKAARN Cc1c(OCc2ccccc2)ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc12 ZINC000019898864 556941342 /nfs/dbraw/zinc/94/13/42/556941342.db2.gz PQWDTJVOJZGZHQ-UHFFFAOYSA-N 0 0 426.390 6.492 50 0 IKAARN CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000019908480 556942573 /nfs/dbraw/zinc/94/25/73/556942573.db2.gz NXYGVWKRABOPEK-UHFFFAOYSA-N 0 0 440.503 5.084 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000019909280 556942863 /nfs/dbraw/zinc/94/28/63/556942863.db2.gz XNMCDGUXEVOQSO-UHFFFAOYSA-N 0 0 448.632 5.016 50 0 IKAARN O=C(Nc1ccc(C(=O)c2ccc(Br)cc2)cc1)c1ccc(-n2cccn2)cc1 ZINC000019910451 556943143 /nfs/dbraw/zinc/94/31/43/556943143.db2.gz RHCQMXDTXLQOTG-UHFFFAOYSA-N 0 0 446.304 5.118 50 0 IKAARN Cc1ccc(NC(=O)OCCCc2ccccc2)cc1NC(=O)OCCCc1ccccc1 ZINC000019911837 556943323 /nfs/dbraw/zinc/94/33/23/556943323.db2.gz MFSSFOHCICLPEW-UHFFFAOYSA-N 0 0 446.547 6.358 50 0 IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000019912929 556943656 /nfs/dbraw/zinc/94/36/56/556943656.db2.gz ARZPVJIORABZKT-UHFFFAOYSA-N 0 0 425.267 6.029 50 0 IKAARN Cc1cc(=O)oc2ccc(OCc3nnc(Nc4ccc(Br)cc4)s3)cc12 ZINC000019923631 556944271 /nfs/dbraw/zinc/94/42/71/556944271.db2.gz QMFMMUMKAYQLDL-UHFFFAOYSA-N 0 0 444.310 5.038 50 0 IKAARN O=C(c1cc(C(=O)c2cccc3ccccc32)n2cnc3ccccc3c12)c1ccccc1 ZINC000019924571 556944589 /nfs/dbraw/zinc/94/45/89/556944589.db2.gz AULIRXODDFDIME-UHFFFAOYSA-N 0 0 426.475 6.103 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 ZINC000019957156 556954920 /nfs/dbraw/zinc/95/49/20/556954920.db2.gz PVJHFOMZABMNKR-UHFFFAOYSA-N 0 0 431.517 5.284 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCc2ccccc2)sc2c3CCN(C)C2)cc1 ZINC000019997876 556957343 /nfs/dbraw/zinc/95/73/43/556957343.db2.gz NGORKLMUQWVWDZ-UHFFFAOYSA-N 0 0 447.629 5.078 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 ZINC000020005099 556957899 /nfs/dbraw/zinc/95/78/99/556957899.db2.gz XNHHCAYTVYULMV-IBGZPJMESA-N 0 0 449.601 5.483 50 0 IKAARN COc1ccc(SCc2nc3ccccc3nc2CSc2ccc(OC)cc2)cc1 ZINC000020031094 556968871 /nfs/dbraw/zinc/96/88/71/556968871.db2.gz SRPLXNCXSJYKQO-UHFFFAOYSA-N 0 0 434.586 6.232 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Br)cc4)cc3n2)cc1 ZINC000020035494 556969950 /nfs/dbraw/zinc/96/99/50/556969950.db2.gz FGWPDHYIOBCREW-UHFFFAOYSA-N 0 0 432.243 6.153 50 0 IKAARN O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000072436899 556972662 /nfs/dbraw/zinc/97/26/62/556972662.db2.gz AXJPZTWQLASUBJ-UHFFFAOYSA-N 0 0 432.487 5.325 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(C)cc4)ccc3[nH]2)cc1 ZINC000033264757 556974614 /nfs/dbraw/zinc/97/46/14/556974614.db2.gz SPWOVEXLRNQMHX-UHFFFAOYSA-N 0 0 426.520 5.257 50 0 IKAARN CCCCN(CC)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020057287 556975070 /nfs/dbraw/zinc/97/50/70/556975070.db2.gz CSWBOGNJFKTWAF-UHFFFAOYSA-N 0 0 439.629 5.317 50 0 IKAARN Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000033265114 556975078 /nfs/dbraw/zinc/97/50/78/556975078.db2.gz ZGBGDFVDUQMSJY-UHFFFAOYSA-N 0 0 442.544 5.164 50 0 IKAARN CC(C)CCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057750 556975329 /nfs/dbraw/zinc/97/53/29/556975329.db2.gz OHUOERKUWPYOOJ-UHFFFAOYSA-N 0 0 428.627 5.093 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020058906 556975335 /nfs/dbraw/zinc/97/53/35/556975335.db2.gz LPJQVZLAGODLRX-NPMXOYFQSA-N 0 0 431.517 5.577 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000033265389 556975563 /nfs/dbraw/zinc/97/55/63/556975563.db2.gz WSQXUARZNYXELY-DEOSSOPVSA-N 0 0 431.898 6.407 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020058986 556975565 /nfs/dbraw/zinc/97/55/65/556975565.db2.gz MFEDTFBAOZQMPM-OSPHWJPCSA-N 0 0 441.487 5.221 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000036397607 556975572 /nfs/dbraw/zinc/97/55/72/556975572.db2.gz SWVBYUFPIITSDP-MRXNPFEDSA-N 0 0 429.495 5.288 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033265482 556975765 /nfs/dbraw/zinc/97/57/65/556975765.db2.gz VNBYRMLDKYAKLW-HSZRJFAPSA-N 0 0 435.593 5.069 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)CCCC3 ZINC000033265489 556975773 /nfs/dbraw/zinc/97/57/73/556975773.db2.gz HKYLUODLTMHDMF-QFIPXVFZSA-N 0 0 440.012 6.094 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033265481 556975789 /nfs/dbraw/zinc/97/57/89/556975789.db2.gz VNBYRMLDKYAKLW-QHCPKHFHSA-N 0 0 435.593 5.069 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCCC3 ZINC000033265514 556976130 /nfs/dbraw/zinc/97/61/30/556976130.db2.gz YUFYPECXMYWASW-LJQANCHMSA-N 0 0 425.985 6.570 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000033265558 556976205 /nfs/dbraw/zinc/97/62/05/556976205.db2.gz MOOBNTWFUXBTEF-OAHLLOKOSA-N 0 0 437.565 5.544 50 0 IKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCN(C)C3 ZINC000033265600 556976400 /nfs/dbraw/zinc/97/64/00/556976400.db2.gz HZGQATGEJOWOHY-CQSZACIVSA-N 0 0 426.973 5.289 50 0 IKAARN Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3C2=O)c1 ZINC000020095904 556979758 /nfs/dbraw/zinc/97/97/58/556979758.db2.gz WVJUEJAFUFHZOS-UHFFFAOYSA-N 0 0 425.271 5.355 50 0 IKAARN CCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(C)c1 ZINC000033267099 556979825 /nfs/dbraw/zinc/97/98/25/556979825.db2.gz NKVZAOXVTUOOHQ-RUZDIDTESA-N 0 0 439.563 5.304 50 0 IKAARN CC[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(OC)cc1 ZINC000011237939 556979826 /nfs/dbraw/zinc/97/98/26/556979826.db2.gz MLFLPZYMHRCTKE-XMMPIXPASA-N 0 0 440.543 6.217 50 0 IKAARN Cc1ccc(C2(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CCCC2)cc1 ZINC000020096600 556979935 /nfs/dbraw/zinc/97/99/35/556979935.db2.gz UYOPMTDUTIYQTN-UHFFFAOYSA-N 0 0 432.486 5.301 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 ZINC000020100151 556979948 /nfs/dbraw/zinc/97/99/48/556979948.db2.gz CGWATNLGHYTDAS-UHFFFAOYSA-N 0 0 433.231 5.572 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc21)Cc1cccs1 ZINC000013468062 556980502 /nfs/dbraw/zinc/98/05/02/556980502.db2.gz JQDALROOSBSFGT-UHFFFAOYSA-N 0 0 435.618 5.988 50 0 aggregator IKAARN O=C(Nc1cc(-c2ccccc2Cl)no1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267243 556981786 /nfs/dbraw/zinc/98/17/86/556981786.db2.gz WBLWYFPUIYEZRB-UHFFFAOYSA-N 0 0 426.863 5.858 50 0 IKAARN O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267240 556981867 /nfs/dbraw/zinc/98/18/67/556981867.db2.gz XQIUABIUZKGTGC-UHFFFAOYSA-N 0 0 426.863 5.858 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000033267768 556982180 /nfs/dbraw/zinc/98/21/80/556982180.db2.gz TXSZPLKDKVWXLO-NRFANRHFSA-N 0 0 429.520 5.447 50 0 IKAARN O=C(Nc1cccc(Cl)c1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000033267983 556982336 /nfs/dbraw/zinc/98/23/36/556982336.db2.gz NRJFHSFRSQPGFZ-UHFFFAOYSA-N 0 0 449.917 5.044 50 0 IKAARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268959 556986611 /nfs/dbraw/zinc/98/66/11/556986611.db2.gz VCNZVCONJXRQTC-UHFFFAOYSA-N 0 0 440.931 5.536 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(Cl)cc2F)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268977 556986913 /nfs/dbraw/zinc/98/69/13/556986913.db2.gz WPXXPOWTMYTZJS-UHFFFAOYSA-N 0 0 444.894 5.367 50 0 IKAARN CC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000097105096 556987663 /nfs/dbraw/zinc/98/76/63/556987663.db2.gz JUXIAYRCBLRMBO-JOCHJYFZSA-N 0 0 430.895 5.483 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)NCc2ccccc2)cc1 ZINC000097104916 556987671 /nfs/dbraw/zinc/98/76/71/556987671.db2.gz AVOUREOPWHVWMR-RUZDIDTESA-N 0 0 428.605 5.287 50 0 IKAARN C[C@H](NC(=O)C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000033269074 556987676 /nfs/dbraw/zinc/98/76/76/556987676.db2.gz IQTGCQULLSBNJQ-SBNSQYLKSA-N 0 0 441.019 5.154 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccc(F)c2)o1 ZINC000097105803 556987917 /nfs/dbraw/zinc/98/79/17/556987917.db2.gz CYTMUXWOBITLCR-IBGZPJMESA-N 0 0 427.273 5.481 50 0 IKAARN CCOC(=O)c1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020169006 556994563 /nfs/dbraw/zinc/99/45/63/556994563.db2.gz GJJHSDBCUPGNNE-NRFANRHFSA-N 0 0 433.895 5.768 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1cc2ccccc2o1 ZINC000010675267 556995237 /nfs/dbraw/zinc/99/52/37/556995237.db2.gz IVDWDUWUDPVGFY-UHFFFAOYSA-N 0 0 426.929 5.404 50 0 IKAARN O=c1c2ccc(OCc3ccccc3)cc2occ1-c1ccc(OCc2ccccc2)cc1 ZINC000077291355 556998724 /nfs/dbraw/zinc/99/87/24/556998724.db2.gz MVQWSXAAXGFMND-UHFFFAOYSA-N 0 0 434.491 6.618 50 0 in-vitro IKAARN CCc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020213692 556999364 /nfs/dbraw/zinc/99/93/64/556999364.db2.gz VWVRRUYDGIAYCW-NRFANRHFSA-N 0 0 432.911 5.864 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000023099494 557000659 /nfs/dbraw/zinc/00/06/59/557000659.db2.gz QEFIKPUGKVSTOY-LLVKDONJSA-N 0 0 432.864 5.344 50 0 IKAARN CCOC(=O)c1c(C[S@@](=O)c2ccc(Cl)cc2)oc2c1c(F)c(F)c(F)c2F ZINC000020223859 557000619 /nfs/dbraw/zinc/00/06/19/557000619.db2.gz MNILYEFCQBKTFN-NDEPHWFRSA-N 0 0 434.794 5.127 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2oc1-c1ccccc1 ZINC000010677272 557002357 /nfs/dbraw/zinc/00/23/57/557002357.db2.gz YTEUOSGJVBYHHD-UHFFFAOYSA-N 0 0 449.510 5.226 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)OCc1cc(-c2ccccc2)on1 ZINC000097998265 557004251 /nfs/dbraw/zinc/00/42/51/557004251.db2.gz NRNXRHNWXCBFFY-YPKPFQOOSA-N 0 0 427.504 5.268 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020295720 557006305 /nfs/dbraw/zinc/00/63/05/557006305.db2.gz HDBQEKUEKWZTQD-UHFFFAOYSA-N 0 0 431.970 5.258 50 0 IKAARN CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000023118789 557006790 /nfs/dbraw/zinc/00/67/90/557006790.db2.gz PCLQZXKRNNKGEO-NRFANRHFSA-N 0 0 433.581 5.189 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCc1c(Cl)cccc1Cl)CN(C)CC3 ZINC000020330252 557008495 /nfs/dbraw/zinc/00/84/95/557008495.db2.gz KLLHWSCRNDWOBA-UHFFFAOYSA-N 0 0 440.421 5.065 50 0 IKAARN FC(F)(F)c1cccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c1 ZINC000006143840 557009460 /nfs/dbraw/zinc/00/94/60/557009460.db2.gz RAAGLASBULNXJY-UHFFFAOYSA-N 0 0 437.284 6.435 50 0 IKAARN Cc1nc(COc2cccc(/C=C\C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 ZINC000096936718 557009750 /nfs/dbraw/zinc/00/97/50/557009750.db2.gz HZMLYGNMTCBKPQ-HJLMUGLJSA-N 0 0 444.560 5.107 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccccc3F)c3ccccc3S2)cc1 ZINC000020355832 557009744 /nfs/dbraw/zinc/00/97/44/557009744.db2.gz IQFAEVPMVBOAIN-JOCHJYFZSA-N 0 0 436.508 5.043 50 0 IKAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccccc3F)c3ccccc3S2)cc1 ZINC000020355831 557009770 /nfs/dbraw/zinc/00/97/70/557009770.db2.gz IQFAEVPMVBOAIN-QFIPXVFZSA-N 0 0 436.508 5.043 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000020357502 557011372 /nfs/dbraw/zinc/01/13/72/557011372.db2.gz WTDXSHNXEDCIFK-IAGOWNOFSA-N 0 0 433.343 5.027 50 0 IKAARN Cc1ccccc1-c1noc(CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)n1 ZINC000023127072 557011885 /nfs/dbraw/zinc/01/18/85/557011885.db2.gz PYRLTPSSGARJEY-UHFFFAOYSA-N 0 0 446.557 5.313 50 0 IKAARN Cc1ccc(CNC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020367307 557011928 /nfs/dbraw/zinc/01/19/28/557011928.db2.gz DDRVSJTWNIVYOJ-NRFANRHFSA-N 0 0 432.911 5.287 50 0 IKAARN Cc1ccc(CN2COc3c(Cl)cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000020390279 557012335 /nfs/dbraw/zinc/01/23/35/557012335.db2.gz KLALAEBYRUEWNC-UHFFFAOYSA-N 0 0 445.946 6.006 50 0 IKAARN COc1ccc([C@H](C)NC(=O)/C=C\c2cccc(OCc3csc(C)n3)c2)cc1F ZINC000098002869 557012535 /nfs/dbraw/zinc/01/25/35/557012535.db2.gz VYWVCYQNTYMRDH-XMELGKRDSA-N 0 0 426.513 5.069 50 0 IKAARN CSc1nc2sc3c(c2c(SCc2ccc(Cl)cc2Cl)n1)CCN(C)C3 ZINC000020393568 557013035 /nfs/dbraw/zinc/01/30/35/557013035.db2.gz OALSMSLAUVSZDI-UHFFFAOYSA-N 0 0 442.462 6.000 50 0 IKAARN CSc1nc2sc3c(c2c(SCc2ccc(OC(C)C)cc2)n1)CCN(C)C3 ZINC000020395005 557013346 /nfs/dbraw/zinc/01/33/46/557013346.db2.gz BMRHWHYINCVIDI-UHFFFAOYSA-N 0 0 431.652 5.481 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1C ZINC000020394747 557013402 /nfs/dbraw/zinc/01/34/02/557013402.db2.gz OOGLMRSWEQZGPN-OAQYLSRUSA-N 0 0 432.911 5.918 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2ccc(C(F)(F)F)cn2)c2ccccc2)c1 ZINC000011266006 557014851 /nfs/dbraw/zinc/01/48/51/557014851.db2.gz FFMFEASFSNTAFF-HXUWFJFHSA-N 0 0 430.451 5.775 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3nc(-c4cccs4)oc3C)cc(C)c12 ZINC000045995107 557015099 /nfs/dbraw/zinc/01/50/99/557015099.db2.gz VPIWVWWWMGTHCM-UHFFFAOYSA-N 0 0 434.496 5.780 50 0 IKAARN COc1ccc(-c2nc(COc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)c(C)o2)cc1 ZINC000045995236 557015127 /nfs/dbraw/zinc/01/51/27/557015127.db2.gz AUNBEOSHLGMUKG-UHFFFAOYSA-N 0 0 440.503 5.588 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4ccc(Cl)cc4)oc3C)cc(C)c12 ZINC000045995313 557015134 /nfs/dbraw/zinc/01/51/34/557015134.db2.gz IIMUQKDEGQDDHM-UHFFFAOYSA-N 0 0 444.922 6.233 50 0 IKAARN CC1(C)CCc2cc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2O1 ZINC000020421674 557015159 /nfs/dbraw/zinc/01/51/59/557015159.db2.gz WIFSRGUDXNZYNH-UHFFFAOYSA-N 0 0 439.909 5.180 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000045995438 557015137 /nfs/dbraw/zinc/01/51/37/557015137.db2.gz VRPRQSAVRNYJPU-UHFFFAOYSA-N 0 0 431.845 6.289 50 0 IKAARN Cc1nn(C)c2nc(OCc3nc(-c4cccc(Cl)c4)oc3C)cc(-c3ccccc3)c12 ZINC000045995209 557015146 /nfs/dbraw/zinc/01/51/46/557015146.db2.gz QOSQXDRHULYJIS-UHFFFAOYSA-N 0 0 444.922 6.140 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4ccccc4Cl)oc3C)cc(C)c12 ZINC000045995312 557015176 /nfs/dbraw/zinc/01/51/76/557015176.db2.gz STEDJEACYXKFPC-UHFFFAOYSA-N 0 0 444.922 6.233 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3ccc(F)cc3Cl)cc(C(F)(F)F)c12 ZINC000045995446 557015471 /nfs/dbraw/zinc/01/54/71/557015471.db2.gz WVUZBPQAMYHRAK-UHFFFAOYSA-N 0 0 449.835 6.428 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)Nc3c(C)cccc3C)cc(C)c12 ZINC000045990515 557016187 /nfs/dbraw/zinc/01/61/87/557016187.db2.gz HTNZVKDILAOBGS-UHFFFAOYSA-N 0 0 448.954 5.634 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccccc2Cl)cc3C)cc1 ZINC000045990626 557016423 /nfs/dbraw/zinc/01/64/23/557016423.db2.gz UIGPIPJDDSSYQP-UHFFFAOYSA-N 0 0 434.927 5.271 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2cc(C)ccc2C)cc3C)cc1 ZINC000045990680 557016447 /nfs/dbraw/zinc/01/64/47/557016447.db2.gz YIMAHUCNHSUTBS-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020432059 557016564 /nfs/dbraw/zinc/01/65/64/557016564.db2.gz CHIRVLOJDTYPDX-UHFFFAOYSA-N 0 0 425.576 5.904 50 0 IKAARN CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(C)nn(-c3ccc(C)cc3)c2n1 ZINC000045990861 557016704 /nfs/dbraw/zinc/01/67/04/557016704.db2.gz LEUKAIQVGQIGIQ-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(C)c(F)c2)cc3C)cc1 ZINC000045990763 557016734 /nfs/dbraw/zinc/01/67/34/557016734.db2.gz PUHZWMAQOREBLB-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)cc(C)c12 ZINC000045991811 557017265 /nfs/dbraw/zinc/01/72/65/557017265.db2.gz BHLFXGCKWLIRNQ-IBGZPJMESA-N 0 0 428.536 5.567 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)cc(C)c12 ZINC000045991784 557017346 /nfs/dbraw/zinc/01/73/46/557017346.db2.gz BLOGFMXCQOXJJG-HXUWFJFHSA-N 0 0 428.536 5.369 50 0 IKAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)cc(-c3ccccc3)c12 ZINC000045991926 557017394 /nfs/dbraw/zinc/01/73/94/557017394.db2.gz RCESTCINDJERFD-INIZCTEOSA-N 0 0 434.927 5.312 50 0 IKAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3cc(Cl)ccc3C)cc(-c3ccccc3)c12 ZINC000045991923 557017415 /nfs/dbraw/zinc/01/74/15/557017415.db2.gz RCESTCINDJERFD-MRXNPFEDSA-N 0 0 434.927 5.312 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1cc(Cl)ccc1C)cc2-c1ccccc1 ZINC000045992241 557017874 /nfs/dbraw/zinc/01/78/74/557017874.db2.gz KUYYTVQXROTUHD-QGZVFWFLSA-N 0 0 448.954 5.794 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1cc(C)ccc1C)cc2-c1ccccc1 ZINC000045992329 557017918 /nfs/dbraw/zinc/01/79/18/557017918.db2.gz QZHHMTCKOQFCGZ-IBGZPJMESA-N 0 0 428.536 5.449 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1ccc(Cl)cc1)cc2-c1ccccc1 ZINC000045992229 557017941 /nfs/dbraw/zinc/01/79/41/557017941.db2.gz NMHWTFJRTIVHSY-MRXNPFEDSA-N 0 0 434.927 5.486 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(CC)c3n2)cc1 ZINC000045992275 557017947 /nfs/dbraw/zinc/01/79/47/557017947.db2.gz OPQPXOLYGYWEEU-GOSISDBHSA-N 0 0 428.536 5.395 50 0 IKAARN CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2C)no1 ZINC000046012024 557018489 /nfs/dbraw/zinc/01/84/89/557018489.db2.gz JOWULQDNEQTKOQ-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000046012327 557018825 /nfs/dbraw/zinc/01/88/25/557018825.db2.gz IEOUSTHVARDXRK-UHFFFAOYSA-N 0 0 449.894 5.473 50 0 IKAARN Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)c1 ZINC000010700584 557019065 /nfs/dbraw/zinc/01/90/65/557019065.db2.gz YSBOFBXQKUNXRO-MRXNPFEDSA-N 0 0 446.641 6.948 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010697475 557019071 /nfs/dbraw/zinc/01/90/71/557019071.db2.gz LMWUSDFSAOUUHE-XMMPIXPASA-N 0 0 428.580 5.128 50 0 IKAARN CCc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000010700902 557019102 /nfs/dbraw/zinc/01/91/02/557019102.db2.gz SIFPUXMDVSZFLK-UHFFFAOYSA-N 0 0 426.541 5.785 50 0 IKAARN COc1ccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC ZINC000023136563 557019073 /nfs/dbraw/zinc/01/90/73/557019073.db2.gz RZZFOGLNBMCANB-UHFFFAOYSA-N 0 0 437.443 5.104 50 0 IKAARN Cc1nc2nc(-c3ccco3)nn2c(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1C ZINC000046017819 557020785 /nfs/dbraw/zinc/02/07/85/557020785.db2.gz VLFZZQUVFCUNQH-UHFFFAOYSA-N 0 0 431.883 6.190 50 0 IKAARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 ZINC000001435849 557021096 /nfs/dbraw/zinc/02/10/96/557021096.db2.gz VXVCAXJSVUXFOO-QFIPXVFZSA-N 0 0 433.891 5.440 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000046020773 557021289 /nfs/dbraw/zinc/02/12/89/557021289.db2.gz MMJIIWDDXHTHBQ-QFIPXVFZSA-N 0 0 446.551 6.056 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1Cl ZINC000046022291 557021957 /nfs/dbraw/zinc/02/19/57/557021957.db2.gz HPFGOVMJHSXSKI-UHFFFAOYSA-N 0 0 432.014 5.943 50 0 IKAARN CC(C)c1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1 ZINC000046022322 557022054 /nfs/dbraw/zinc/02/20/54/557022054.db2.gz MEGXFVSIDFAFKS-UHFFFAOYSA-N 0 0 439.650 6.495 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022388 557022234 /nfs/dbraw/zinc/02/22/34/557022234.db2.gz XKKLTTCQQVATLZ-UHFFFAOYSA-N 0 0 432.014 5.943 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c(Cl)c1 ZINC000046022400 557022243 /nfs/dbraw/zinc/02/22/43/557022243.db2.gz FBIJOVBVVXFNLW-UHFFFAOYSA-N 0 0 446.041 6.334 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(Cl)cc1F ZINC000046022420 557022248 /nfs/dbraw/zinc/02/22/48/557022248.db2.gz APDSOKAREXZCSW-UHFFFAOYSA-N 0 0 435.977 5.774 50 0 IKAARN CSc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1 ZINC000046022453 557022277 /nfs/dbraw/zinc/02/22/77/557022277.db2.gz NNYOYGMRRAORNN-UHFFFAOYSA-N 0 0 443.663 6.094 50 0 IKAARN CCOc1ccc(OCC)c(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)c1 ZINC000046022812 557022592 /nfs/dbraw/zinc/02/25/92/557022592.db2.gz QYYGTDWMQNXYSA-UHFFFAOYSA-N 0 0 429.524 5.211 50 0 IKAARN FC(F)(F)c1cc(Nc2c3c(nc4nc(-c5ccco5)nn42)CCCC3)ccc1Cl ZINC000046022580 557022657 /nfs/dbraw/zinc/02/26/57/557022657.db2.gz VPIAFZXWYBFVFC-UHFFFAOYSA-N 0 0 433.821 5.679 50 0 IKAARN Cc1ccnc(N[C@@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)c1 ZINC000043220771 557022825 /nfs/dbraw/zinc/02/28/25/557022825.db2.gz MMWUPEHSAJYZSN-QFIPXVFZSA-N 0 0 449.601 6.439 50 0 IKAARN COc1ccc(Cl)cc1Nc1c2c(nc3nc(Cc4ccc(C)cc4)nn31)CCCC2 ZINC000046022984 557022837 /nfs/dbraw/zinc/02/28/37/557022837.db2.gz YBQHSYORMCINKY-UHFFFAOYSA-N 0 0 433.943 5.308 50 0 IKAARN COc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc1OC ZINC000046022962 557023017 /nfs/dbraw/zinc/02/30/17/557023017.db2.gz VOPCAKZZOIANTD-UHFFFAOYSA-N 0 0 449.942 5.008 50 0 IKAARN CCc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000043220777 557023182 /nfs/dbraw/zinc/02/31/82/557023182.db2.gz AYYSGUSHQYMCFR-JOCHJYFZSA-N 0 0 446.576 6.073 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)CCSc4ccc(F)cc4)n3)oc21 ZINC000010748684 557024057 /nfs/dbraw/zinc/02/40/57/557024057.db2.gz RNHGGEXTZKVNLP-UHFFFAOYSA-N 0 0 428.510 5.825 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(Br)s4)n3)oc21 ZINC000010749655 557024081 /nfs/dbraw/zinc/02/40/81/557024081.db2.gz VHKZYIXUTZKDRC-UHFFFAOYSA-N 0 0 449.351 6.031 50 0 IKAARN CCCCc1nn2c(nc(CN(Cc3ccc(OC)cc3)c3ccc(C)cc3)cc2=O)s1 ZINC000046032430 557025113 /nfs/dbraw/zinc/02/51/13/557025113.db2.gz DXPPSQUKIIYVHW-UHFFFAOYSA-N 0 0 448.592 5.017 50 0 IKAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000032944425 557025671 /nfs/dbraw/zinc/02/56/71/557025671.db2.gz LNUTWOVUMGKBGW-UHFFFAOYSA-N 0 0 426.923 5.137 50 0 IKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1F)Nc1ccc(F)c(Cl)c1 ZINC000032944427 557025892 /nfs/dbraw/zinc/02/58/92/557025892.db2.gz DLVGBUZSSYBYDQ-UHFFFAOYSA-N 0 0 428.891 6.432 50 0 IKAARN Cc1cc(C)c(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000046053761 557027078 /nfs/dbraw/zinc/02/70/78/557027078.db2.gz MBZNBEPVOVIVQB-UHFFFAOYSA-N 0 0 430.935 5.563 50 0 IKAARN Cc1nc2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc54)CC3)cc2s1 ZINC000010784367 557027139 /nfs/dbraw/zinc/02/71/39/557027139.db2.gz MFMWEMJCTIWXIQ-UHFFFAOYSA-N 0 0 429.545 5.249 50 0 IKAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(Cc3ccc(F)cc3Cl)c2n1 ZINC000046053751 557027097 /nfs/dbraw/zinc/02/70/97/557027097.db2.gz JYRKJCHANKNDDX-UHFFFAOYSA-N 0 0 441.289 5.430 50 0 IKAARN COc1cc(CCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc(OC)c1OC ZINC000010802795 557028108 /nfs/dbraw/zinc/02/81/08/557028108.db2.gz XOGPDAZFIJDJBF-VWLOTQADSA-N 0 0 437.511 5.032 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056585 557028316 /nfs/dbraw/zinc/02/83/16/557028316.db2.gz AYARSHPIYOWNEJ-LJQANCHMSA-N 0 0 429.907 5.604 50 0 IKAARN Cc1cccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccccc4)ccc3s2)c1 ZINC000046058501 557029436 /nfs/dbraw/zinc/02/94/36/557029436.db2.gz FBEJVIAXFJFGDB-UHFFFAOYSA-N 0 0 436.558 5.287 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4ccccc4)cc3c2)cc1 ZINC000046058630 557029556 /nfs/dbraw/zinc/02/95/56/557029556.db2.gz FYIPFUKZBMYDCH-UHFFFAOYSA-N 0 0 436.558 5.287 50 0 IKAARN CN(c1ccc2sc(C(=O)N3CCCCC3)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000046058881 557029872 /nfs/dbraw/zinc/02/98/72/557029872.db2.gz XSBIJOIFLRDYCF-UHFFFAOYSA-N 0 0 448.997 5.006 50 0 IKAARN O=c1c2[nH]c3ccccc3c2nc(SCc2ccccc2Cl)n1-c1ccc(F)cc1 ZINC000017177794 557030773 /nfs/dbraw/zinc/03/07/73/557030773.db2.gz BNVMCLAVHOBZFJ-UHFFFAOYSA-N 0 0 435.911 5.952 50 0 IKAARN CSc1ccc(Cl)c(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000022182861 557030969 /nfs/dbraw/zinc/03/09/69/557030969.db2.gz LDKYNIOIGWGEGK-UHFFFAOYSA-N 0 0 444.025 5.143 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 ZINC000046076334 557032365 /nfs/dbraw/zinc/03/23/65/557032365.db2.gz YGYNPYMURNBJGD-AWEZNQCLSA-N 0 0 432.314 5.799 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000046076320 557032478 /nfs/dbraw/zinc/03/24/78/557032478.db2.gz HYWRIGPPXWQCAY-IBGZPJMESA-N 0 0 437.561 5.941 50 0 IKAARN COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076985 557032682 /nfs/dbraw/zinc/03/26/82/557032682.db2.gz YHAJWHJTLFFVOM-HNNXBMFYSA-N 0 0 432.314 5.799 50 0 IKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076831 557032704 /nfs/dbraw/zinc/03/27/04/557032704.db2.gz CHVCUYACXUAUJU-SFHVURJKSA-N 0 0 425.525 6.216 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1Br ZINC000046076991 557032736 /nfs/dbraw/zinc/03/27/36/557032736.db2.gz VZKSOSUEZGMCGY-CQSZACIVSA-N 0 0 432.314 5.799 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)ccc1OCC(C)C ZINC000046077130 557032996 /nfs/dbraw/zinc/03/29/96/557032996.db2.gz KDTFTYKFQGUIOP-GOSISDBHSA-N 0 0 425.525 6.072 50 0 IKAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)c3ccccc3C)c(Cl)cc1O2 ZINC000046077481 557033036 /nfs/dbraw/zinc/03/30/36/557033036.db2.gz BVJAATIYAIVKNQ-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1Cl ZINC000046078588 557033577 /nfs/dbraw/zinc/03/35/77/557033577.db2.gz FHYCEFGIZDUBEY-UHFFFAOYSA-N 0 0 434.923 5.502 50 0 IKAARN O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078878 557033804 /nfs/dbraw/zinc/03/38/04/557033804.db2.gz PFSPCNYQZNIYHP-UHFFFAOYSA-N 0 0 426.850 5.464 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078788 557033817 /nfs/dbraw/zinc/03/38/17/557033817.db2.gz GNXQZYJCONJUGJ-UHFFFAOYSA-N 0 0 426.850 5.464 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078994 557033831 /nfs/dbraw/zinc/03/38/31/557033831.db2.gz HQJOBKGSJVHKQA-UHFFFAOYSA-N 0 0 426.850 5.464 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000046078899 557033854 /nfs/dbraw/zinc/03/38/54/557033854.db2.gz OTYPCFLKOMURBF-UHFFFAOYSA-N 0 0 447.922 5.144 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4C)C3=O)cc2)cc1 ZINC000046079378 557034369 /nfs/dbraw/zinc/03/43/69/557034369.db2.gz SVKWOCPIVMLUBA-UHFFFAOYSA-N 0 0 441.531 5.282 50 0 IKAARN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000046079492 557034437 /nfs/dbraw/zinc/03/44/37/557034437.db2.gz XVYDVWDTDSBGFS-UHFFFAOYSA-N 0 0 441.531 5.282 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000046079444 557034447 /nfs/dbraw/zinc/03/44/47/557034447.db2.gz XUNXUDNVAANQCW-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4C)C3=O)cc2)cc1 ZINC000046079386 557034451 /nfs/dbraw/zinc/03/44/51/557034451.db2.gz NDZAHSQZIDQGGM-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1C ZINC000017181049 557034466 /nfs/dbraw/zinc/03/44/66/557034466.db2.gz GCWOHFVXRZUFGQ-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000046079630 557034715 /nfs/dbraw/zinc/03/47/15/557034715.db2.gz ASIJVLKYODWOGF-UHFFFAOYSA-N 0 0 445.494 5.113 50 0 IKAARN O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)Nc1ccccc1Br ZINC000010844754 557034966 /nfs/dbraw/zinc/03/49/66/557034966.db2.gz UORUIRBXBPWIGW-UHFFFAOYSA-N 0 0 442.279 5.119 50 0 IKAARN O=C(Nc1cccc(F)c1)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000046079651 557034941 /nfs/dbraw/zinc/03/49/41/557034941.db2.gz NNJMKYMJYFIYQT-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN COc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000046079985 557035284 /nfs/dbraw/zinc/03/52/84/557035284.db2.gz NYUACCSBXMZNMS-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)N4CCc5ccccc5C4)c3)C2=O)cc1 ZINC000046079872 557035341 /nfs/dbraw/zinc/03/53/41/557035341.db2.gz DRPAHVNYSWXMQT-UHFFFAOYSA-N 0 0 439.559 5.026 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C)c3nnc(-c4ccccc4)o3)nc(=O)c12 ZINC000017189516 557035738 /nfs/dbraw/zinc/03/57/38/557035738.db2.gz PHBUZFXTAKBFTL-OCCSQVGLSA-N 0 0 440.594 5.785 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4ccc(C)c(C)c4)o3)cs2)cc1OC ZINC000010842177 557036060 /nfs/dbraw/zinc/03/60/60/557036060.db2.gz FDAWBZWUPGTKNV-UHFFFAOYSA-N 0 0 439.562 5.786 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@]2(C)C1=O ZINC000017206491 557038510 /nfs/dbraw/zinc/03/85/10/557038510.db2.gz HBEHUDJLUBTNBD-LMHHSUHVSA-N 0 0 441.958 6.282 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1Cl ZINC000046146401 557044590 /nfs/dbraw/zinc/04/45/90/557044590.db2.gz CXTYTDWLSFGEHX-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1 ZINC000046146445 557044601 /nfs/dbraw/zinc/04/46/01/557044601.db2.gz QDGGNGXULJUENV-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000048235005 557046579 /nfs/dbraw/zinc/04/65/79/557046579.db2.gz FSHWYWDTNDJWNA-OAQYLSRUSA-N 0 0 428.410 5.147 50 0 IKAARN CCOc1cc([C@H]2Nc3ccc(OC)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000033271130 557046894 /nfs/dbraw/zinc/04/68/94/557046894.db2.gz HJWAKDKYXMBQNI-RVHYNSKXSA-N 0 0 448.357 5.500 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3nc4ccccc4nc3N3CCCCC3)ccc21 ZINC000033269637 557046945 /nfs/dbraw/zinc/04/69/45/557046945.db2.gz KSXGABSIZAVQTC-UHFFFAOYSA-N 0 0 449.558 6.000 50 0 IKAARN CCCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)no1 ZINC000033269790 557047243 /nfs/dbraw/zinc/04/72/43/557047243.db2.gz LEAKUNDJGDCPPZ-GOSISDBHSA-N 0 0 430.302 5.022 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000033270688 557047370 /nfs/dbraw/zinc/04/73/70/557047370.db2.gz USDODVZRZZHDKR-UHFFFAOYSA-N 0 0 444.969 5.505 50 0 IKAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)on1 ZINC000033269959 557047391 /nfs/dbraw/zinc/04/73/91/557047391.db2.gz BORHKEXFEWVXBA-KRWDZBQOSA-N 0 0 430.302 5.193 50 0 IKAARN CCOc1ccc(-n2c3nc(SCc4cccc(F)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948217 557047701 /nfs/dbraw/zinc/04/77/01/557047701.db2.gz LCTFZFKHNDHTAF-UHFFFAOYSA-N 0 0 445.566 5.335 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000017264022 557047864 /nfs/dbraw/zinc/04/78/64/557047864.db2.gz XRCSKUMFSBASQD-UHFFFAOYSA-N 0 0 430.426 5.293 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 ZINC000033270976 557048273 /nfs/dbraw/zinc/04/82/73/557048273.db2.gz VPUVDDLBLBGFJP-UHFFFAOYSA-N 0 0 428.901 5.036 50 0 IKAARN CCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OCC)C2 ZINC000017269841 557048631 /nfs/dbraw/zinc/04/86/31/557048631.db2.gz MMHFVNQYDZKPFT-UHFFFAOYSA-N 0 0 443.594 5.668 50 0 IKAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000033271258 557048862 /nfs/dbraw/zinc/04/88/62/557048862.db2.gz JKIYIHZKGVAUOS-INIZCTEOSA-N 0 0 448.548 5.062 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)ccc1OC(C)C ZINC000033271260 557048871 /nfs/dbraw/zinc/04/88/71/557048871.db2.gz XMYJYKAYVRHYTD-INIZCTEOSA-N 0 0 448.548 5.060 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OC(C)C)sc2c1 ZINC000033271625 557049701 /nfs/dbraw/zinc/04/97/01/557049701.db2.gz UFPAETGOVLRRSQ-KRWDZBQOSA-N 0 0 448.548 5.060 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OCC)sc2c1 ZINC000033271677 557049839 /nfs/dbraw/zinc/04/98/39/557049839.db2.gz NGXPVUQMONICGV-KRWDZBQOSA-N 0 0 448.548 5.062 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000048263767 557050125 /nfs/dbraw/zinc/05/01/25/557050125.db2.gz KITGQIQFVLIYGA-QGZVFWFLSA-N 0 0 446.359 5.360 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000048264240 557050514 /nfs/dbraw/zinc/05/05/14/557050514.db2.gz PHCYOUXCFFELIL-DEOSSOPVSA-N 0 0 425.536 5.146 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1F ZINC000048265098 557050861 /nfs/dbraw/zinc/05/08/61/557050861.db2.gz YGOAYTKVPHLRFK-GFCCVEGCSA-N 0 0 425.485 5.207 50 0 IKAARN CCOCCCNC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000033272064 557050875 /nfs/dbraw/zinc/05/08/75/557050875.db2.gz QWDRDRJFOUCYIZ-UHFFFAOYSA-N 0 0 447.485 5.398 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)c12 ZINC000048273782 557051162 /nfs/dbraw/zinc/05/11/62/557051162.db2.gz FRWWHWLLAOZVPS-UHFFFAOYSA-N 0 0 446.454 5.597 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)cn(C)c2c(=O)n1C(C)C ZINC000033273901 557053209 /nfs/dbraw/zinc/05/32/09/557053209.db2.gz VNLNMNNDYSRDRC-UHFFFAOYSA-N 0 0 446.576 5.022 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000033273867 557053218 /nfs/dbraw/zinc/05/32/18/557053218.db2.gz FZOSHDNNDGXOIG-CYBMUJFWSA-N 0 0 437.956 5.152 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C(=O)CC(C)(C)C2)c(C)c1 ZINC000004735802 557054006 /nfs/dbraw/zinc/05/40/06/557054006.db2.gz JIZHUMRKRJBHKH-UHFFFAOYSA-N 0 0 425.550 5.622 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3ccc(Cl)nc3)[C@H]2c2cccs2)cc1 ZINC000022966431 557054955 /nfs/dbraw/zinc/05/49/55/557054955.db2.gz OPDZZPYVVMCCRZ-GCJKJVERSA-N 0 0 440.952 5.333 50 0 IKAARN Cc1ccccc1-n1c2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c2sc1=S ZINC000032948401 557055197 /nfs/dbraw/zinc/05/51/97/557055197.db2.gz IMKUQSAUASXBBY-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN Cc1ccc(C)c(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000032948342 557056449 /nfs/dbraw/zinc/05/64/49/557056449.db2.gz OXMKWWZOSNPPLO-UHFFFAOYSA-N 0 0 446.022 6.067 50 0 IKAARN Cc1cccc([C@H](O)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C ZINC000082048768 557056524 /nfs/dbraw/zinc/05/65/24/557056524.db2.gz MRSWAVYGHKFFDV-PMERELPUSA-N 0 0 444.578 6.422 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4cccc(Cl)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948579 557056791 /nfs/dbraw/zinc/05/67/91/557056791.db2.gz VRKDHRWHLTTWPJ-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN CCSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316835 557057294 /nfs/dbraw/zinc/05/72/94/557057294.db2.gz FSPHBGSPFJEWOU-JOCHJYFZSA-N 0 0 447.608 5.750 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)n1 ZINC000023011255 557057345 /nfs/dbraw/zinc/05/73/45/557057345.db2.gz PUDDRWKDZIBERD-UHFFFAOYSA-N 0 0 425.492 5.385 50 0 IKAARN COc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000032948674 557057466 /nfs/dbraw/zinc/05/74/66/557057466.db2.gz RGIIVAGXTQWCBE-UHFFFAOYSA-N 0 0 447.994 5.459 50 0 IKAARN O=c1oc2ccccc2n1CN1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000048279440 557057461 /nfs/dbraw/zinc/05/74/61/557057461.db2.gz BTVNBFUVQLWRPX-UHFFFAOYSA-N 0 0 433.455 5.060 50 0 IKAARN CCOc1ccccc1OCCCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000023011732 557057510 /nfs/dbraw/zinc/05/75/10/557057510.db2.gz ALCPXWATCINNIJ-UHFFFAOYSA-N 0 0 433.508 5.527 50 0 IKAARN CCCn1c(C)c(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2cc(OC)ccc21 ZINC000023017324 557057718 /nfs/dbraw/zinc/05/77/18/557057718.db2.gz DTEBMDOBJKAZGW-UHFFFAOYSA-N 0 0 431.492 5.466 50 0 IKAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)CCSc3ccc(F)cc3)nc21 ZINC000010875088 557059084 /nfs/dbraw/zinc/05/90/84/557059084.db2.gz YVANYZJVEUSALT-INIZCTEOSA-N 0 0 446.569 5.138 50 0 IKAARN COc1cc(C)ccc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000048312223 557059264 /nfs/dbraw/zinc/05/92/64/557059264.db2.gz HKFIOULLUYTCQA-UHFFFAOYSA-N 0 0 440.341 5.083 50 0 IKAARN CCn1c(C(=O)NCc2cccc(F)c2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277413 557059305 /nfs/dbraw/zinc/05/93/05/557059305.db2.gz MCOKGDJEWKBHJE-UHFFFAOYSA-N 0 0 444.535 5.645 50 0 IKAARN Cc1cccc(CNC(=O)c2cc3c(-c4cccs4)nn(-c4ccccc4)c3n2C)c1 ZINC000033277424 557059318 /nfs/dbraw/zinc/05/93/18/557059318.db2.gz KUODIIXWDMGCNI-UHFFFAOYSA-N 0 0 426.545 5.331 50 0 IKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000033278149 557060086 /nfs/dbraw/zinc/06/00/86/557060086.db2.gz JRMGNYWVZJIWDM-UHFFFAOYSA-N 0 0 439.537 5.015 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)c(OC)c1 ZINC000033278496 557060159 /nfs/dbraw/zinc/06/01/59/557060159.db2.gz CXXFSLMUNQHVHE-UHFFFAOYSA-N 0 0 443.503 5.880 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c1 ZINC000048310220 557060270 /nfs/dbraw/zinc/06/02/70/557060270.db2.gz WVQVJMFIAGJKPU-UHFFFAOYSA-N 0 0 425.916 5.064 50 0 IKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc21 ZINC000033278661 557060437 /nfs/dbraw/zinc/06/04/37/557060437.db2.gz NAPUWMXDVTXIRE-UHFFFAOYSA-N 0 0 431.923 6.825 50 0 IKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3Cl)cc21 ZINC000033278509 557060442 /nfs/dbraw/zinc/06/04/42/557060442.db2.gz OLBSBOJFPVRRTN-UHFFFAOYSA-N 0 0 431.923 6.825 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc21 ZINC000033278589 557060469 /nfs/dbraw/zinc/06/04/69/557060469.db2.gz TYRJSTSHKBXUOL-UHFFFAOYSA-N 0 0 437.421 6.362 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 ZINC000033278525 557060515 /nfs/dbraw/zinc/06/05/15/557060515.db2.gz DDJJRJORXBVSOU-UHFFFAOYSA-N 0 0 429.495 6.070 50 0 IKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc21 ZINC000033278659 557060518 /nfs/dbraw/zinc/06/05/18/557060518.db2.gz MNMBHKQKGTXHCZ-UHFFFAOYSA-N 0 0 439.849 6.486 50 0 IKAARN Cn1c2ccccc2nc1[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000048310367 557060586 /nfs/dbraw/zinc/06/05/86/557060586.db2.gz FTBSFIRDTDKPKR-QFIPXVFZSA-N 0 0 440.330 5.165 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2NC1=O ZINC000023057831 557061055 /nfs/dbraw/zinc/06/10/55/557061055.db2.gz HTMCEMPZQJWWLE-ZDUSSCGKSA-N 0 0 426.394 5.344 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000033278986 557061044 /nfs/dbraw/zinc/06/10/44/557061044.db2.gz XYNUKXABYFJWKD-UHFFFAOYSA-N 0 0 433.851 5.081 50 0 IKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 ZINC000048299176 557061187 /nfs/dbraw/zinc/06/11/87/557061187.db2.gz FCLQQDIXGPSMEK-UHFFFAOYSA-N 0 0 428.423 5.172 50 0 IKAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3cc(C)sc3C)cc2Cl)n1 ZINC000048311952 557061207 /nfs/dbraw/zinc/06/12/07/557061207.db2.gz WLQBCDISVHERBE-CQSZACIVSA-N 0 0 430.961 5.284 50 0 IKAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccco3)Cc3cccs3)c12 ZINC000023074844 557061831 /nfs/dbraw/zinc/06/18/31/557061831.db2.gz OUGCEMPOWMQGKL-UHFFFAOYSA-N 0 0 432.505 5.034 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1 ZINC000082230571 557061889 /nfs/dbraw/zinc/06/18/89/557061889.db2.gz ZGRKJGMSKAJXOC-UHFFFAOYSA-N 0 0 426.524 5.146 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nn2)c(C)c1C ZINC000082230666 557061951 /nfs/dbraw/zinc/06/19/51/557061951.db2.gz YRVBRPQDYYOISG-UHFFFAOYSA-N 0 0 426.524 5.200 50 0 IKAARN CCCCOc1ccc(OC)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000048300654 557062411 /nfs/dbraw/zinc/06/24/11/557062411.db2.gz PGLMYYSCZGHRAQ-UHFFFAOYSA-N 0 0 441.478 5.079 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2cc(C)ccc2OC)n1 ZINC000033279921 557062551 /nfs/dbraw/zinc/06/25/51/557062551.db2.gz SPRSAPFKCIWNAK-UHFFFAOYSA-N 0 0 430.508 5.275 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3cccc(F)c3)nc(N3CCCC3)c12 ZINC000033279948 557062554 /nfs/dbraw/zinc/06/25/54/557062554.db2.gz VVLZWGBXOJRLLX-UHFFFAOYSA-N 0 0 429.499 5.029 50 0 IKAARN CCOC(=O)C[C@@H](NC(=O)Nc1c2cc(F)ccc2[nH]c1-c1cccnc1)c1ccccc1 ZINC000033279999 557062888 /nfs/dbraw/zinc/06/28/88/557062888.db2.gz NUTXRRKQHVDJPU-OAQYLSRUSA-N 0 0 446.482 5.185 50 0 IKAARN CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000033286773 557063913 /nfs/dbraw/zinc/06/39/13/557063913.db2.gz SNVRIQGSMBZEIL-NVNXTCNLSA-N 0 0 426.719 5.807 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)Nc3cc(Cl)ccc3Cl)co2)cc1 ZINC000048302961 557064345 /nfs/dbraw/zinc/06/43/45/557064345.db2.gz FDRKAVYGNZTKTC-HXUWFJFHSA-N 0 0 446.334 5.260 50 0 IKAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c(C)c1 ZINC000033288500 557065733 /nfs/dbraw/zinc/06/57/33/557065733.db2.gz VMEXBYYADZERDZ-IBGZPJMESA-N 0 0 448.592 5.108 50 0 IKAARN CCc1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c1 ZINC000033288465 557065794 /nfs/dbraw/zinc/06/57/94/557065794.db2.gz LZZCVJVKLOODNU-HXUWFJFHSA-N 0 0 432.593 5.354 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033288677 557065837 /nfs/dbraw/zinc/06/58/37/557065837.db2.gz WHXGOIHZBTZIIK-QGZVFWFLSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000033288674 557065896 /nfs/dbraw/zinc/06/58/96/557065896.db2.gz JJFUBSAPYPIFSM-KRWDZBQOSA-N 0 0 438.984 5.445 50 0 IKAARN COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1OC(C)C ZINC000048325565 557066310 /nfs/dbraw/zinc/06/63/10/557066310.db2.gz XBSZNCDHUNGKRY-HDICACEKSA-N 0 0 444.572 5.400 50 0 IKAARN O=C(CSc1nccnc1Sc1ccccc1)Nc1ccc(Br)cc1 ZINC000033288897 557066414 /nfs/dbraw/zinc/06/64/14/557066414.db2.gz SOGOIIASNBSPJN-UHFFFAOYSA-N 0 0 432.368 5.121 50 0 IKAARN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000033289203 557066435 /nfs/dbraw/zinc/06/64/35/557066435.db2.gz STMJOCPKEVMXRQ-UHFFFAOYSA-N 0 0 428.517 5.054 50 0 IKAARN CC(=O)Nc1cc(C(=O)O[C@H](c2nc3cc(Cl)ccc3[nH]2)c2ccccc2)ccc1C ZINC000048325856 557066627 /nfs/dbraw/zinc/06/66/27/557066627.db2.gz RCTPVFZNDSKNMV-QFIPXVFZSA-N 0 0 433.895 5.430 50 0 IKAARN Cc1nc(-c2cc(Br)cs2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000048326204 557066976 /nfs/dbraw/zinc/06/69/76/557066976.db2.gz YYRBAPGQQVRHLP-CQSZACIVSA-N 0 0 434.384 5.315 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)cc1 ZINC000033281391 557067432 /nfs/dbraw/zinc/06/74/32/557067432.db2.gz YSCGGTCYMVHFMB-UHFFFAOYSA-N 0 0 429.520 5.307 50 0 IKAARN Cc1ccc(/C=C2\SC(=O)N([C@@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 ZINC000051364642 557068768 /nfs/dbraw/zinc/06/87/68/557068768.db2.gz BAKFGHKRERNNBA-SYCZXOQXSA-N 0 0 433.788 5.214 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1Br ZINC000048331510 557069095 /nfs/dbraw/zinc/06/90/95/557069095.db2.gz SSJXLJRZFFBKRY-UHFFFAOYSA-N 0 0 441.734 5.697 50 0 IKAARN N=C1S/C(=C/c2ccc(-c3ccccc3F)o2)C(=O)N1c1ccccc1C(F)(F)F ZINC000033291706 557069740 /nfs/dbraw/zinc/06/97/40/557069740.db2.gz FYZWIJIMUIVUQW-YIYGAGSKSA-N 0 0 432.398 6.160 50 0 IKAARN CN(Cc1ccc(Br)o1)Cn1nc(Nc2ccccc2F)sc1=S ZINC000048340441 557070441 /nfs/dbraw/zinc/07/04/41/557070441.db2.gz LGEGBBDUFLDHPJ-UHFFFAOYSA-N 0 0 429.340 5.002 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3)sc2c1 ZINC000033289337 557070850 /nfs/dbraw/zinc/07/08/50/557070850.db2.gz YECJFFLJBUIYAF-UHFFFAOYSA-N 0 0 428.510 5.220 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)c(C)c3)sc2c1 ZINC000033289283 557070882 /nfs/dbraw/zinc/07/08/82/557070882.db2.gz IFTIMDGDWSZXID-UHFFFAOYSA-N 0 0 428.510 5.220 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4cccc(F)c4)cc3Cl)sc2c1 ZINC000033289268 557070979 /nfs/dbraw/zinc/07/09/79/557070979.db2.gz MJBBSTPZARUNJD-UHFFFAOYSA-N 0 0 446.956 6.006 50 0 IKAARN CC(C)C(=O)Nc1nc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cs1 ZINC000048344438 557071696 /nfs/dbraw/zinc/07/16/96/557071696.db2.gz PGEMPYSSLMXONZ-UHFFFAOYSA-N 0 0 428.583 5.166 50 0 IKAARN COc1ccccc1OCCn1cc(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc21 ZINC000033294158 557072200 /nfs/dbraw/zinc/07/22/00/557072200.db2.gz HYZRJUZUQKRMCM-OQKWZONESA-N 0 0 438.483 5.073 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)co2)c(C)c1 ZINC000048362277 557074275 /nfs/dbraw/zinc/07/42/75/557074275.db2.gz HSMYYMIKKQMHNZ-AREMUKBSSA-N 0 0 425.488 5.079 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)co2)c(C)c1 ZINC000048362281 557074345 /nfs/dbraw/zinc/07/43/45/557074345.db2.gz HSMYYMIKKQMHNZ-SANMLTNESA-N 0 0 425.488 5.079 50 0 IKAARN CCCOc1ccccc1NC(=O)CSc1nccn1-c1ccc(Br)cc1 ZINC000010886815 557074486 /nfs/dbraw/zinc/07/44/86/557074486.db2.gz WXOOFJFWIHJEPY-UHFFFAOYSA-N 0 0 446.370 5.154 50 0 IKAARN Cc1cccn2c(=O)cc(CSc3ncnc4scc(-c5ccc(F)cc5)c43)nc12 ZINC000023223410 557074506 /nfs/dbraw/zinc/07/45/06/557074506.db2.gz RHNCPCVJHRVJFB-UHFFFAOYSA-N 0 0 434.521 5.106 50 0 IKAARN CCCn1c(-c2ccncc2)nn(CN(Cc2ccc3ccccc3c2)C2CC2)c1=S ZINC000048374489 557075750 /nfs/dbraw/zinc/07/57/50/557075750.db2.gz PKDLPKYRFAFAMR-UHFFFAOYSA-N 0 0 429.593 5.661 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O ZINC000033293798 557076739 /nfs/dbraw/zinc/07/67/39/557076739.db2.gz JFWPYHGKVBRPBK-VIZOYTHASA-N 0 0 440.702 5.058 50 0 IKAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000033299274 557077594 /nfs/dbraw/zinc/07/75/94/557077594.db2.gz XGAZGZYBRJSVPY-UHFFFAOYSA-N 0 0 430.473 5.456 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)s1 ZINC000033299572 557078259 /nfs/dbraw/zinc/07/82/59/557078259.db2.gz BGJGYBBLOUMBAA-QFIPXVFZSA-N 0 0 433.621 5.302 50 0 IKAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1F ZINC000043766709 557078264 /nfs/dbraw/zinc/07/82/64/557078264.db2.gz NOMANDRRWKGNIT-UHFFFAOYSA-N 0 0 425.254 5.113 50 0 IKAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3Cl)no2)c1 ZINC000049001781 557081111 /nfs/dbraw/zinc/08/11/11/557081111.db2.gz OOFVFJZTHXRALS-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000049001819 557081116 /nfs/dbraw/zinc/08/11/16/557081116.db2.gz ISXRPKNGFJDHOI-UHFFFAOYSA-N 0 0 449.916 5.083 50 0 IKAARN Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(Br)cc4F)c3N)n2)c1 ZINC000049001861 557081155 /nfs/dbraw/zinc/08/11/55/557081155.db2.gz XWQACNWSEPUBGO-UHFFFAOYSA-N 0 0 444.333 5.158 50 0 IKAARN CC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000097105094 557081218 /nfs/dbraw/zinc/08/12/18/557081218.db2.gz JUXIAYRCBLRMBO-QFIPXVFZSA-N 0 0 430.895 5.483 50 0 IKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccccc4Br)c3N)n2)c(C)c1 ZINC000049001881 557081441 /nfs/dbraw/zinc/08/14/41/557081441.db2.gz ADKCOAMTIAKGQR-UHFFFAOYSA-N 0 0 426.343 5.019 50 0 IKAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000023200033 557082957 /nfs/dbraw/zinc/08/29/57/557082957.db2.gz SOCDUYPKLNLJCI-NRFANRHFSA-N 0 0 430.291 5.006 50 0 IKAARN Cc1ccc(-c2ncc3c(ncnc3SCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000033300943 557083041 /nfs/dbraw/zinc/08/30/41/557083041.db2.gz TYBRMYGJZNRICB-UHFFFAOYSA-N 0 0 435.940 5.088 50 0 IKAARN COc1cccc(CSc2nc3c4cccnc4sc3c(=O)n2CCC(C)C)c1 ZINC000048989014 557083102 /nfs/dbraw/zinc/08/31/02/557083102.db2.gz IDKTVKFWBSRODU-UHFFFAOYSA-N 0 0 425.579 5.353 50 0 IKAARN COc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2cccs2)cc1 ZINC000048989727 557083382 /nfs/dbraw/zinc/08/33/82/557083382.db2.gz KMASZEGSELIWRA-UHFFFAOYSA-N 0 0 440.546 5.116 50 0 IKAARN COc1cc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000048989324 557083443 /nfs/dbraw/zinc/08/34/43/557083443.db2.gz AMYKHYNSNIMXGR-MRXNPFEDSA-N 0 0 433.552 5.485 50 0 IKAARN COc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000048989734 557083563 /nfs/dbraw/zinc/08/35/63/557083563.db2.gz MGVNYSJHMXQRPA-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1OC ZINC000049005014 557083906 /nfs/dbraw/zinc/08/39/06/557083906.db2.gz RGFCRFKKNRWXAK-KRWDZBQOSA-N 0 0 434.540 5.104 50 0 IKAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC[C@H]3CC)cnc3nc(C)ccc32)cc1 ZINC000049005000 557083956 /nfs/dbraw/zinc/08/39/56/557083956.db2.gz SSSRTWZIJCRXJF-HXUWFJFHSA-N 0 0 446.551 5.263 50 0 IKAARN CCCCOCCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023326483 557084131 /nfs/dbraw/zinc/08/41/31/557084131.db2.gz GIZMFCPCDFKSLE-UHFFFAOYSA-N 0 0 445.485 5.699 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2cccc(Br)c2)n1 ZINC000049005308 557084221 /nfs/dbraw/zinc/08/42/21/557084221.db2.gz WYHZCNJCFVXTIE-HNNXBMFYSA-N 0 0 439.357 5.459 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(Cl)c1 ZINC000049005018 557084235 /nfs/dbraw/zinc/08/42/35/557084235.db2.gz YSXKNLHFJFQEMT-KRWDZBQOSA-N 0 0 438.959 5.749 50 0 IKAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@@H]3CC)cnc3nc(C)ccc32)c1 ZINC000049005127 557084280 /nfs/dbraw/zinc/08/42/80/557084280.db2.gz FQYAJIBBOGQZPD-FQEVSTJZSA-N 0 0 446.551 5.263 50 0 IKAARN CCCCCn1cc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000023334591 557084385 /nfs/dbraw/zinc/08/43/85/557084385.db2.gz HOYIWJRBUYIDEY-UHFFFAOYSA-N 0 0 445.028 6.053 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cccc(Br)c2)n1 ZINC000049005487 557084560 /nfs/dbraw/zinc/08/45/60/557084560.db2.gz BWSQBULMKSCWCE-UHFFFAOYSA-N 0 0 439.357 5.316 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(Br)cc2)n1 ZINC000049005378 557084620 /nfs/dbraw/zinc/08/46/20/557084620.db2.gz XVVCIRNZLQBWTD-CQSZACIVSA-N 0 0 439.357 5.316 50 0 IKAARN Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(Oc3ncccn3)cc2)c1 ZINC000023340361 557086060 /nfs/dbraw/zinc/08/60/60/557086060.db2.gz OAUMHXKMAQMYML-MHZLTWQESA-N 0 0 448.526 5.604 50 0 IKAARN O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1cc(F)cc(F)c1 ZINC000033307410 557086759 /nfs/dbraw/zinc/08/67/59/557086759.db2.gz RMDINQOHZYSIML-UHFFFAOYSA-N 0 0 441.821 5.500 50 0 IKAARN CC(C)c1csc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2nc3ccccc3n2C)n1 ZINC000023366905 557088384 /nfs/dbraw/zinc/08/83/84/557088384.db2.gz DOMBHJFPMMFZOE-VWLOTQADSA-N 0 0 441.604 5.782 50 0 IKAARN CCc1nc(-c2cc(S(=O)(=O)Nc3ccccc3Br)c(C)s2)cs1 ZINC000033308449 557088889 /nfs/dbraw/zinc/08/88/89/557088889.db2.gz ULWYOWJZAZZWOU-UHFFFAOYSA-N 0 0 443.413 5.306 50 0 IKAARN COc1ccc2ccc(Oc3nc(CN4CCOCC4)nc4sc(C)c(C)c43)cc2c1 ZINC000023381187 557089160 /nfs/dbraw/zinc/08/91/60/557089160.db2.gz RUOZEAYIJBLVQX-UHFFFAOYSA-N 0 0 435.549 5.094 50 0 IKAARN COc1ccc2c(c1)CCN(C(=O)c1ccc(OCc3nc(-c4ccco4)cs3)cc1)C2 ZINC000049032327 557089562 /nfs/dbraw/zinc/08/95/62/557089562.db2.gz ZHVZCQLJOXWKRP-UHFFFAOYSA-N 0 0 446.528 5.189 50 0 IKAARN COc1cccc2c(Nc3cccc(C(F)(F)F)c3)cc(C(=O)N3CCSCC3)nc12 ZINC000049003022 557090707 /nfs/dbraw/zinc/09/07/07/557090707.db2.gz MDSDUIVBWLMGOM-UHFFFAOYSA-N 0 0 447.482 5.195 50 0 IKAARN Clc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008399829 557091260 /nfs/dbraw/zinc/09/12/60/557091260.db2.gz IOTFSPZKZUXBDY-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccccc1Nc1ncc(C(=O)Nc2ccc(OC)c(OC)c2)c2ccccc12 ZINC000004760767 557091896 /nfs/dbraw/zinc/09/18/96/557091896.db2.gz FHRJGIJECIYBFC-UHFFFAOYSA-N 0 0 429.476 5.257 50 0 IKAARN CN(c1ccsc1C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049004170 557092294 /nfs/dbraw/zinc/09/22/94/557092294.db2.gz AYCOWJXONYVBOK-UHFFFAOYSA-N 0 0 441.361 5.132 50 0 IKAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023448472 557092816 /nfs/dbraw/zinc/09/28/16/557092816.db2.gz XNCHWGNJLJEEPK-NRFANRHFSA-N 0 0 437.795 5.823 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2cccc(Br)c2)n1 ZINC000049004776 557092828 /nfs/dbraw/zinc/09/28/28/557092828.db2.gz PZUFCRJRUHGCNI-UHFFFAOYSA-N 0 0 439.357 5.461 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(Br)cc2)n1 ZINC000049004731 557092867 /nfs/dbraw/zinc/09/28/67/557092867.db2.gz XJEJCHUBUIHITI-UHFFFAOYSA-N 0 0 439.357 5.461 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000049004587 557092888 /nfs/dbraw/zinc/09/28/88/557092888.db2.gz QJEFKEQGKSDWBO-UHFFFAOYSA-N 0 0 434.849 5.590 50 0 IKAARN COc1c2cc(NC(=O)c3cc(Cl)ccc3F)ccc2oc1C(=O)Nc1ccccc1 ZINC000033310129 557093287 /nfs/dbraw/zinc/09/32/87/557093287.db2.gz ZCCFYWLYJBXYEB-UHFFFAOYSA-N 0 0 438.842 5.739 50 0 IKAARN COc1c2cc(NC(=O)Cc3ccccc3Cl)ccc2oc1C(=O)Nc1ccccc1 ZINC000033310126 557093302 /nfs/dbraw/zinc/09/33/02/557093302.db2.gz NUDBFBYHCOCODV-UHFFFAOYSA-N 0 0 434.879 5.528 50 0 IKAARN CC[C@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2SCc2nnc(C)o2)cc1 ZINC000023482239 557093905 /nfs/dbraw/zinc/09/39/05/557093905.db2.gz QFZXSYIJWVEQEN-ZDUSSCGKSA-N 0 0 440.956 5.536 50 0 IKAARN Cc1cc(OCCOc2cccc(/C=C3/N=C(c4ccccc4)OC3=O)c2)ccc1Cl ZINC000023485193 557094586 /nfs/dbraw/zinc/09/45/86/557094586.db2.gz MRNWPBANGZZLPL-XQNSMLJCSA-N 0 0 433.891 5.451 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@H]1OC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000023485137 557094666 /nfs/dbraw/zinc/09/46/66/557094666.db2.gz KOBHWYVPRYIJNK-AREMUKBSSA-N 0 0 437.499 5.261 50 0 IKAARN CCc1cccc(NC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)c1 ZINC000033311898 557095165 /nfs/dbraw/zinc/09/51/65/557095165.db2.gz ROUSCFWMMBXADT-UHFFFAOYSA-N 0 0 430.552 5.303 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)cc1C ZINC000033311896 557095219 /nfs/dbraw/zinc/09/52/19/557095219.db2.gz BDKVBOQBKOBNKI-UHFFFAOYSA-N 0 0 430.552 5.358 50 0 IKAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000023507629 557095214 /nfs/dbraw/zinc/09/52/14/557095214.db2.gz WWHRMACTVGYNTD-GFCCVEGCSA-N 0 0 439.289 6.079 50 0 IKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000033312227 557096127 /nfs/dbraw/zinc/09/61/27/557096127.db2.gz QRCAPBAUJUKNOH-UHFFFAOYSA-N 0 0 429.545 6.857 50 0 IKAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)ncn2)cc1 ZINC000033311977 557096233 /nfs/dbraw/zinc/09/62/33/557096233.db2.gz AJVGIPFPOKIIQE-UHFFFAOYSA-N 0 0 434.584 5.054 50 0 IKAARN CCCN(CC(=O)Nc1nnc(-c2cccc(C)c2)s1)C(=O)C[C@@H](C)CC(C)(C)C ZINC000004765396 557096526 /nfs/dbraw/zinc/09/65/26/557096526.db2.gz HLBGGQTVLPWBIN-QGZVFWFLSA-N 0 0 430.618 5.153 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(F)cc1Br ZINC000033312594 557097211 /nfs/dbraw/zinc/09/72/11/557097211.db2.gz WDEGIYKPQCJOBG-UHFFFAOYSA-N 0 0 449.349 5.144 50 0 IKAARN CSc1ccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004767945 557098622 /nfs/dbraw/zinc/09/86/22/557098622.db2.gz PXXLKOWSMDKORE-QHCPKHFHSA-N 0 0 433.577 5.923 50 0 IKAARN COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000004767877 557098630 /nfs/dbraw/zinc/09/86/30/557098630.db2.gz KCMUBKOXTWNKLM-XMMPIXPASA-N 0 0 447.535 5.218 50 0 IKAARN CSc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004767947 557098656 /nfs/dbraw/zinc/09/86/56/557098656.db2.gz PXXLKOWSMDKORE-HSZRJFAPSA-N 0 0 433.577 5.923 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2F)c(C)c1 ZINC000004768009 557098849 /nfs/dbraw/zinc/09/88/49/557098849.db2.gz GKDBFPVWCXHJGZ-DEOSSOPVSA-N 0 0 426.495 5.720 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000004768004 557098867 /nfs/dbraw/zinc/09/88/67/557098867.db2.gz NCZZDYJSOQMMEC-XMMPIXPASA-N 0 0 426.495 5.720 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000033317490 557099342 /nfs/dbraw/zinc/09/93/42/557099342.db2.gz WHIQGFWMSKXWRG-UHFFFAOYSA-N 0 0 447.944 5.206 50 0 IKAARN Fc1cc(CSc2nnc(C3CCCCC3)o2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000023588215 557099919 /nfs/dbraw/zinc/09/99/19/557099919.db2.gz IFXMFKOASFENAN-QFIPXVFZSA-N 0 0 426.513 6.157 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000033318341 557099888 /nfs/dbraw/zinc/09/98/88/557099888.db2.gz BFTRAUKUCGACKM-UHFFFAOYSA-N 0 0 437.931 5.043 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000008450246 557100335 /nfs/dbraw/zinc/10/03/35/557100335.db2.gz NRXAOSWPDCTKCW-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN CN1CCc2nc(NC(=O)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)sc2C1 ZINC000023609374 557101035 /nfs/dbraw/zinc/10/10/35/557101035.db2.gz AONBXWLOQUFSBH-UHFFFAOYSA-N 0 0 433.455 5.194 50 0 IKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000023636122 557101836 /nfs/dbraw/zinc/10/18/36/557101836.db2.gz INBGSIFVUYAENP-LBPRGKRZSA-N 0 0 432.471 5.555 50 0 IKAARN O=C(CCc1ccccc1)Nc1ccc(N2CCn3c4ccc(Cl)cc4nc3C2)cc1 ZINC000033320621 557103732 /nfs/dbraw/zinc/10/37/32/557103732.db2.gz IZNHYXBFJGIRBC-UHFFFAOYSA-N 0 0 430.939 5.281 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1 ZINC000033324519 557106442 /nfs/dbraw/zinc/10/64/42/557106442.db2.gz ZBHNUPLITJTEEH-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000023686022 557106743 /nfs/dbraw/zinc/10/67/43/557106743.db2.gz FGYLWKKTRRMJRR-HNNXBMFYSA-N 0 0 427.118 5.610 50 0 IKAARN Cc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl ZINC000033326050 557107816 /nfs/dbraw/zinc/10/78/16/557107816.db2.gz JPVJYRKSKMIJME-GOSISDBHSA-N 0 0 427.957 5.341 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)c2c1 ZINC000049421533 557108111 /nfs/dbraw/zinc/10/81/11/557108111.db2.gz MKEGPPCBRDMBCX-UHFFFAOYSA-N 0 0 432.545 5.827 50 0 IKAARN Nc1c(-c2nc(-c3cccc(Cl)c3)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 ZINC000049421766 557108673 /nfs/dbraw/zinc/10/86/73/557108673.db2.gz NNGXRQIPMBEQQE-UHFFFAOYSA-N 0 0 445.935 6.086 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)Cc1csc(Nc2ccc(Cl)cn2)n1 ZINC000049452559 557109618 /nfs/dbraw/zinc/10/96/18/557109618.db2.gz URHIBGBQDNMXGP-UHFFFAOYSA-N 0 0 437.750 5.187 50 0 IKAARN CCSc1ccccc1C(=O)N1CCC(Oc2nc3c(cc(F)cc3F)s2)CC1 ZINC000049435120 557110245 /nfs/dbraw/zinc/11/02/45/557110245.db2.gz ASUXOCTTZYNOFJ-UHFFFAOYSA-N 0 0 434.533 5.370 50 0 IKAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4cccc5ccccc54)CC3)no2)c1 ZINC000033327672 557110303 /nfs/dbraw/zinc/11/03/03/557110303.db2.gz SVYMSYKIGQHWJD-UHFFFAOYSA-N 0 0 426.520 5.049 50 0 IKAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000017724672 557112431 /nfs/dbraw/zinc/11/24/31/557112431.db2.gz NWNQOAZCDWMOGB-LNVAPUSYSA-N 0 0 435.564 5.002 50 0 biogenic IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328896 557112695 /nfs/dbraw/zinc/11/26/95/557112695.db2.gz IELUMMYUCJEWJV-UHFFFAOYSA-N 0 0 443.532 5.139 50 0 IKAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000017724676 557112820 /nfs/dbraw/zinc/11/28/20/557112820.db2.gz NWNQOAZCDWMOGB-QIRPYFFCSA-N 0 0 435.564 5.002 50 0 biogenic IKAARN CCOc1ccc([C@@H](C)NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000000653928 557114321 /nfs/dbraw/zinc/11/43/21/557114321.db2.gz FCWBJISWBWXBAN-SECBINFHSA-N 0 0 433.165 5.163 50 0 IKAARN O=C(OCc1coc(-c2cccs2)n1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049604868 557115132 /nfs/dbraw/zinc/11/51/32/557115132.db2.gz UKFUABOAZPCAAT-UHFFFAOYSA-N 0 0 446.528 5.152 50 0 IKAARN O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049609487 557115140 /nfs/dbraw/zinc/11/51/40/557115140.db2.gz MFCMNPZUYMPMEW-UHFFFAOYSA-N 0 0 433.895 5.125 50 0 IKAARN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629720 557115944 /nfs/dbraw/zinc/11/59/44/557115944.db2.gz VNCMFBNLMGJGRH-MUUNZHRXSA-N 0 0 426.604 6.187 50 0 IKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc1OCC ZINC000004783915 557116907 /nfs/dbraw/zinc/11/69/07/557116907.db2.gz KXIMFFUCPHXCKB-VFNWGFHPSA-N 0 0 428.598 6.125 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000113561581 557117235 /nfs/dbraw/zinc/11/72/35/557117235.db2.gz OQBMEFXHPBRYEH-OAQYLSRUSA-N 0 0 431.517 5.063 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C2=O)cc1 ZINC000113562367 557117315 /nfs/dbraw/zinc/11/73/15/557117315.db2.gz HIZKJFUWXOWYIG-OAQYLSRUSA-N 0 0 447.585 5.228 50 0 IKAARN Cc1cccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)c1 ZINC000113562473 557117352 /nfs/dbraw/zinc/11/73/52/557117352.db2.gz HOMHSNWJLGZRMJ-OAQYLSRUSA-N 0 0 431.517 5.063 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3c(C)cc(C)cc3C)C2=O)c1 ZINC000004784426 557117561 /nfs/dbraw/zinc/11/75/61/557117561.db2.gz BSZBQWQTIUGGNM-MUUNZHRXSA-N 0 0 427.544 5.236 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)cc1 ZINC000004784319 557117627 /nfs/dbraw/zinc/11/76/27/557117627.db2.gz JCMHWJZABAYRTG-MUUNZHRXSA-N 0 0 427.544 5.250 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 ZINC000049651005 557117633 /nfs/dbraw/zinc/11/76/33/557117633.db2.gz WXCXFWAZJSWENY-DEOSSOPVSA-N 0 0 431.561 5.507 50 0 IKAARN Cc1ccccc1N1C(=O)C[C@@H](Sc2cccc(NC(=O)Nc3ccccc3)c2)C1=O ZINC000113564294 557117653 /nfs/dbraw/zinc/11/76/53/557117653.db2.gz JNCVQTQHGDTRMM-OAQYLSRUSA-N 0 0 431.517 5.063 50 0 IKAARN CCn1ncc(/C=C\C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2C)c1C ZINC000033332777 557117869 /nfs/dbraw/zinc/11/78/69/557117869.db2.gz LDFMBRATPCNHEC-CLFYSBASSA-N 0 0 432.355 5.032 50 0 IKAARN C[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)c(F)c1 ZINC000023818378 557118365 /nfs/dbraw/zinc/11/83/65/557118365.db2.gz PPZCZGVFIUNAJE-NSHDSACASA-N 0 0 447.835 5.126 50 0 IKAARN O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc2ccccc2c1 ZINC000113627237 557118351 /nfs/dbraw/zinc/11/83/51/557118351.db2.gz KTVCWHCDJUJPKD-ZRZAMGCNSA-N 0 0 442.540 5.026 50 0 IKAARN COc1cccc(/C=C2/C(=O)Nc3ccc(Br)cc32)c1OCc1ccccc1 ZINC000033334343 557118698 /nfs/dbraw/zinc/11/86/98/557118698.db2.gz LSZOHTVJOMIOOO-XDHOZWIPSA-N 0 0 436.305 5.529 50 0 IKAARN Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000033334511 557118927 /nfs/dbraw/zinc/11/89/27/557118927.db2.gz KEVYASCVJMAKJR-XIEYBQDHSA-N 0 0 438.483 5.790 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)n2c3ccccc3nc2N1 ZINC000004786471 557119314 /nfs/dbraw/zinc/11/93/14/557119314.db2.gz WYCBINHYUQABOH-QFIPXVFZSA-N 0 0 449.341 6.271 50 0 IKAARN COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004786968 557119488 /nfs/dbraw/zinc/11/94/88/557119488.db2.gz DNZAUNVIOKZOEV-VWLOTQADSA-N 0 0 438.531 5.589 50 0 IKAARN C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1c(F)cccc1F ZINC000018434727 557119664 /nfs/dbraw/zinc/11/96/64/557119664.db2.gz AHQSKICEIYSQRH-NSHDSACASA-N 0 0 447.557 6.264 50 0 IKAARN COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001167750 557119753 /nfs/dbraw/zinc/11/97/53/557119753.db2.gz YBKHWGOCKKNJGP-UHFFFAOYSA-N 0 0 434.879 5.908 50 0 IKAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000001183028 557119935 /nfs/dbraw/zinc/11/99/35/557119935.db2.gz SWTNDJUPGHKYRN-UHFFFAOYSA-N 0 0 441.778 5.232 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ccccc2o1 ZINC000001178504 557119982 /nfs/dbraw/zinc/11/99/82/557119982.db2.gz JLLAOGFAONFGHI-UHFFFAOYSA-N 0 0 427.485 5.676 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001266090 557120705 /nfs/dbraw/zinc/12/07/05/557120705.db2.gz KCRXPELVRKQMRS-UHFFFAOYSA-N 0 0 429.072 6.407 50 0 IKAARN Cc1cc(C)c(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000008687355 557120874 /nfs/dbraw/zinc/12/08/74/557120874.db2.gz GMUWTCFDEBOQKF-QGZVFWFLSA-N 0 0 444.815 5.025 50 0 IKAARN CC[C@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000001117830 557121341 /nfs/dbraw/zinc/12/13/41/557121341.db2.gz BAWQIXCQYCILQB-HNNXBMFYSA-N 0 0 426.538 5.358 50 0 IKAARN O=C(Oc1ccc2ccccc2c1CN1CCOCC1)c1ccccc1Oc1ccccc1 ZINC000023243018 557122369 /nfs/dbraw/zinc/12/23/69/557122369.db2.gz WQGXJMNSDLPQJA-UHFFFAOYSA-N 0 0 439.511 5.684 50 0 IKAARN O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000000629374 557122406 /nfs/dbraw/zinc/12/24/06/557122406.db2.gz YOHHECYGCJBOHF-UHFFFAOYSA-N 0 0 447.541 5.656 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nn4c(nnc4C(F)(F)F)s3)c2)cc1 ZINC000098087281 557123821 /nfs/dbraw/zinc/12/38/21/557123821.db2.gz NOCXLINKNHZELW-UHFFFAOYSA-N 0 0 445.470 5.421 50 0 IKAARN O=C1N[C@@H](c2ccccc2)Nc2c1sc1nc3c(c(-c4ccco4)c12)CCc1ccccc1-3 ZINC000000643044 557124070 /nfs/dbraw/zinc/12/40/70/557124070.db2.gz OHHXWWLKAQFWKL-VWLOTQADSA-N 0 0 449.535 6.176 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCCn2c(SCc3ccccc3Cl)nnc21 ZINC000000642481 557124126 /nfs/dbraw/zinc/12/41/26/557124126.db2.gz KLUOBKDKWADZPJ-UHFFFAOYSA-N 0 0 434.352 5.319 50 0 IKAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1cc(Br)ccc1Cl ZINC000004790868 557124771 /nfs/dbraw/zinc/12/47/71/557124771.db2.gz ZYGUVMZCZSVLCZ-UHFFFAOYSA-N 0 0 426.701 5.670 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004791032 557124815 /nfs/dbraw/zinc/12/48/15/557124815.db2.gz LHGBKYFASOYHRA-UHFFFAOYSA-N 0 0 426.303 5.877 50 0 IKAARN CC1(C)[C@H](C(=O)Nc2c(-c3ccccc3)nc3ccc(Cl)cn32)[C@H]1C=C(Cl)Cl ZINC000606422411 557125133 /nfs/dbraw/zinc/12/51/33/557125133.db2.gz XYWGHUBLYXUPOD-PBHICJAKSA-N 0 0 434.754 6.184 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793167 557125392 /nfs/dbraw/zinc/12/53/92/557125392.db2.gz NCWSTRASNGPMQZ-FTJBHMTQSA-N 0 0 437.543 5.290 50 0 IKAARN CCc1sc(-c2nnc(CSc3nnc(NCc4ccc(F)cc4)s3)o2)cc1C ZINC000023908951 557125480 /nfs/dbraw/zinc/12/54/80/557125480.db2.gz NKZGJDSCYVEMNO-UHFFFAOYSA-N 0 0 447.586 5.564 50 0 IKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc(-c2ccccc2)on1 ZINC000606422500 557125508 /nfs/dbraw/zinc/12/55/08/557125508.db2.gz YXQONFQOTIWOAK-UHFFFAOYSA-N 0 0 438.462 5.263 50 0 IKAARN C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000014942194 557125558 /nfs/dbraw/zinc/12/55/58/557125558.db2.gz YAJSIFOSQLROTL-ZDUSSCGKSA-N 0 0 445.407 5.213 50 0 IKAARN CCc1cc(C(=O)Nc2cccc3c(NC(=O)c4csc(CC)c4)cccc23)cs1 ZINC000000650708 557125865 /nfs/dbraw/zinc/12/58/65/557125865.db2.gz KMZBMDCHRRZBGZ-UHFFFAOYSA-N 0 0 434.586 6.592 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)c3ccccc3I)ccc21 ZINC000002051797 557127455 /nfs/dbraw/zinc/12/74/55/557127455.db2.gz CWCHLHAZUUCFDK-UHFFFAOYSA-N 0 0 440.284 5.671 50 0 IKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(Br)ccc1Br ZINC000002061726 557127468 /nfs/dbraw/zinc/12/74/68/557127468.db2.gz BGPCIYQWTRPZMS-UHFFFAOYSA-N 0 0 443.138 6.035 50 0 IKAARN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000033349395 557127751 /nfs/dbraw/zinc/12/77/51/557127751.db2.gz SXMMECFUERSECR-MHWRWJLKSA-N 0 0 438.730 5.742 50 0 IKAARN O=C(Cc1ccc(Br)cc1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000017910948 557127956 /nfs/dbraw/zinc/12/79/56/557127956.db2.gz JXXFNQAWQZCZPK-LJQANCHMSA-N 0 0 439.378 5.483 50 0 IKAARN CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000023968411 557128358 /nfs/dbraw/zinc/12/83/58/557128358.db2.gz UQEAFKIFAMTKQN-MHZLTWQESA-N 0 0 441.531 5.005 50 0 IKAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000002235541 557129290 /nfs/dbraw/zinc/12/92/90/557129290.db2.gz NMGPOEZNYARZQE-UHFFFAOYSA-N 0 0 439.949 5.449 50 0 IKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)c1 ZINC000002240325 557129297 /nfs/dbraw/zinc/12/92/97/557129297.db2.gz BJLVVSNPYYACRI-MDWZMJQESA-N 0 0 444.000 5.728 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000002305225 557129504 /nfs/dbraw/zinc/12/95/04/557129504.db2.gz GBYNESOTYFUPIK-UHFFFAOYSA-N 0 0 433.508 5.632 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000102644880 557129535 /nfs/dbraw/zinc/12/95/35/557129535.db2.gz LDALHFVGDABISL-XMCHAPAWSA-N 0 0 443.341 5.032 50 0 IKAARN C[C@@H]1CC[C@@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000102644878 557129543 /nfs/dbraw/zinc/12/95/43/557129543.db2.gz LDALHFVGDABISL-UAOJZALGSA-N 0 0 443.341 5.032 50 0 IKAARN CN1CCc2nc3ccccc3c(C(=O)O[C@H](C(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000023983717 557129522 /nfs/dbraw/zinc/12/95/22/557129522.db2.gz YNEOHEUAPCGKDK-MHZLTWQESA-N 0 0 436.511 5.004 50 0 IKAARN Clc1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)o2)cc1 ZINC000023989407 557129856 /nfs/dbraw/zinc/12/98/56/557129856.db2.gz KCCNDISZRATJPU-UHFFFAOYSA-N 0 0 449.923 5.582 50 0 IKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000023990306 557130661 /nfs/dbraw/zinc/13/06/61/557130661.db2.gz JXFMZHVBZKEMTC-UHFFFAOYSA-N 0 0 430.327 5.051 50 0 IKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000660325 557130844 /nfs/dbraw/zinc/13/08/44/557130844.db2.gz VOGRMNAAJXIAPB-UHFFFAOYSA-N 0 0 434.373 5.844 50 0 IKAARN CC(C)CSc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000000661174 557130873 /nfs/dbraw/zinc/13/08/73/557130873.db2.gz XXUWPVWAYWYMQT-UHFFFAOYSA-N 0 0 434.590 5.941 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(Cl)cc4)sc3n2)cc1 ZINC000000661555 557131116 /nfs/dbraw/zinc/13/11/16/557131116.db2.gz KYBIDTKJHBDHPO-UHFFFAOYSA-N 0 0 437.952 5.180 50 0 IKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000000661671 557131235 /nfs/dbraw/zinc/13/12/35/557131235.db2.gz WUFQAQRFIZWLTD-UHFFFAOYSA-N 0 0 425.916 5.311 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)cc1 ZINC000000669423 557131804 /nfs/dbraw/zinc/13/18/04/557131804.db2.gz PFEWZAZFCDORED-UHFFFAOYSA-N 0 0 445.544 5.330 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)nc4ccccc43)c3ccccc3n2)cc1OC ZINC000000670737 557132836 /nfs/dbraw/zinc/13/28/36/557132836.db2.gz PHQRTLDGYKTNTR-UHFFFAOYSA-N 0 0 449.510 5.450 50 0 IKAARN CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000673915 557133471 /nfs/dbraw/zinc/13/34/71/557133471.db2.gz MEDGTNVTZGDPBK-QAPCUYQASA-N 0 0 432.471 5.518 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1 ZINC000002861371 557133694 /nfs/dbraw/zinc/13/36/94/557133694.db2.gz MSBKDQXOYMKHGQ-UHFFFAOYSA-N 0 0 426.516 5.867 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 ZINC000000675091 557133779 /nfs/dbraw/zinc/13/37/79/557133779.db2.gz DKNPZRUGYWSHSX-KPOBHBOGSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(C)cc1I ZINC000002851892 557133993 /nfs/dbraw/zinc/13/39/93/557133993.db2.gz VVZUSAFANLOBDL-UHFFFAOYSA-N 0 0 441.312 5.679 50 0 IKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Br)cc1 ZINC000002965653 557134362 /nfs/dbraw/zinc/13/43/62/557134362.db2.gz JTWAYBLTGAVHTJ-UHFFFAOYSA-N 0 0 435.321 6.435 50 0 IKAARN Cc1cc(I)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002970882 557134415 /nfs/dbraw/zinc/13/44/15/557134415.db2.gz PAVLAVFAMCUEKY-UHFFFAOYSA-N 0 0 437.664 5.765 50 0 IKAARN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017970945 557134440 /nfs/dbraw/zinc/13/44/40/557134440.db2.gz ZVBJMQNTKVGGNM-PFBJBMPXSA-N 0 0 448.522 5.453 50 0 IKAARN COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)cc1 ZINC000009109659 557134864 /nfs/dbraw/zinc/13/48/64/557134864.db2.gz AYRUBVQHDVFYRE-UHFFFAOYSA-N 0 0 447.951 5.765 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(I)cc1Cl ZINC000002997911 557134855 /nfs/dbraw/zinc/13/48/55/557134855.db2.gz BTMGHNFWXWMNTE-UHFFFAOYSA-N 0 0 438.117 5.329 50 0 IKAARN O=C(Cc1ccc(Br)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000000680072 557134959 /nfs/dbraw/zinc/13/49/59/557134959.db2.gz RPBXECUAPADVNN-UHFFFAOYSA-N 0 0 439.140 5.182 50 0 IKAARN COc1cccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3Br)cs2)c1OC ZINC000024758932 557134983 /nfs/dbraw/zinc/13/49/83/557134983.db2.gz ZTUNUAHQUBUSMU-LBPRGKRZSA-N 0 0 447.354 5.081 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1C(=O)Nc1ccccc1 ZINC000090623522 557135607 /nfs/dbraw/zinc/13/56/07/557135607.db2.gz GTFSGUOMYYQTPE-AWEZNQCLSA-N 0 0 430.287 5.619 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(I)c1 ZINC000003000163 557135780 /nfs/dbraw/zinc/13/57/80/557135780.db2.gz AUUXCEGINDSQIE-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3ccon3)c3cc(Br)ccc3n2)c1 ZINC000000685941 557136080 /nfs/dbraw/zinc/13/60/80/557136080.db2.gz IGZSWABNJROYPC-UHFFFAOYSA-N 0 0 438.281 5.303 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CCc1ccc(F)cc1 ZINC000024765177 557136258 /nfs/dbraw/zinc/13/62/58/557136258.db2.gz CGNVTMOXRLEPTL-UHFFFAOYSA-N 0 0 446.931 5.160 50 0 IKAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCc2ccccc2C(F)(F)F)cc1C ZINC000000689457 557136449 /nfs/dbraw/zinc/13/64/49/557136449.db2.gz SZYGTETXSNZVHG-FYJGNVAPSA-N 0 0 442.437 5.003 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000004811569 557136547 /nfs/dbraw/zinc/13/65/47/557136547.db2.gz RJJBNZOLYQZPJQ-JZUWRPCTSA-N 0 0 429.541 5.825 50 0 IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 ZINC000000686955 557136575 /nfs/dbraw/zinc/13/65/75/557136575.db2.gz UYXMAEWJDPJGRF-VWLOTQADSA-N 0 0 430.935 6.008 50 0 biogenic IKAARN CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004811819 557136609 /nfs/dbraw/zinc/13/66/09/557136609.db2.gz NDKACQGBXQYWOY-XTEPFMGCSA-N 0 0 426.560 6.888 50 0 IKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000000693761 557137030 /nfs/dbraw/zinc/13/70/30/557137030.db2.gz MMBJTEGPKVXICK-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OCC(C)C)nc3-c3ccc(C)cc3)cc2)cc1 ZINC000000693744 557137073 /nfs/dbraw/zinc/13/70/73/557137073.db2.gz JVZFNMZIPYDOHX-UHFFFAOYSA-N 0 0 440.547 5.838 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccc(C)cc3)cc2)cc1 ZINC000000693335 557137088 /nfs/dbraw/zinc/13/70/88/557137088.db2.gz CZKMCQVYRBYCSM-UHFFFAOYSA-N 0 0 426.520 5.591 50 0 IKAARN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 ZINC000024771814 557137095 /nfs/dbraw/zinc/13/70/95/557137095.db2.gz NURLCSHOXLRAAV-GOSISDBHSA-N 0 0 444.560 5.478 50 0 IKAARN CCCn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1cccc(C)c1 ZINC000024772158 557137115 /nfs/dbraw/zinc/13/71/15/557137115.db2.gz VKUJTPBJMYGNTB-UHFFFAOYSA-N 0 0 447.589 5.178 50 0 IKAARN CC(C)COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000000693500 557137159 /nfs/dbraw/zinc/13/71/59/557137159.db2.gz YYISQAPIEGFTCS-UHFFFAOYSA-N 0 0 436.512 5.422 50 0 IKAARN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 ZINC000024771832 557137164 /nfs/dbraw/zinc/13/71/64/557137164.db2.gz NURLCSHOXLRAAV-SFHVURJKSA-N 0 0 444.560 5.478 50 0 IKAARN Clc1cccc(-c2noc(CSc3n[nH]c(-c4ccccc4Br)n3)n2)c1 ZINC000024107830 557137662 /nfs/dbraw/zinc/13/76/62/557137662.db2.gz KKIGENFBVRLSBN-UHFFFAOYSA-N 0 0 448.733 5.230 50 0 IKAARN Cc1ccccc1-c1nc(OCC(C)C)nn1-c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000000696994 557137701 /nfs/dbraw/zinc/13/77/01/557137701.db2.gz GBVQZVLUAVMOKM-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)nnc1-c1ccco1 ZINC000024778117 557137967 /nfs/dbraw/zinc/13/79/67/557137967.db2.gz DVJKBQDAKRQZJT-UHFFFAOYSA-N 0 0 440.912 5.252 50 0 IKAARN COc1ccc(-c2nc(COC(=O)Cc3ccc(Cl)cc3Cl)cs2)c(OC)c1 ZINC000024776261 557138040 /nfs/dbraw/zinc/13/80/40/557138040.db2.gz SKWQDZKUZFAISO-UHFFFAOYSA-N 0 0 438.332 5.420 50 0 IKAARN COc1ccccc1OCC(=O)Nc1nnc(SCc2cccc3ccccc32)s1 ZINC000000702326 557138058 /nfs/dbraw/zinc/13/80/58/557138058.db2.gz CHONHHZFZOHUEM-UHFFFAOYSA-N 0 0 437.546 5.010 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ccccc1NC(=O)COc1ccccc1Cl ZINC000000701896 557138090 /nfs/dbraw/zinc/13/80/90/557138090.db2.gz APAWXXLENGSAGW-UHFFFAOYSA-N 0 0 445.302 5.028 50 0 IKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024142265 557138539 /nfs/dbraw/zinc/13/85/39/557138539.db2.gz ZKWZODCLSQHDHT-XMMPIXPASA-N 0 0 436.621 5.161 50 0 IKAARN O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000216046176 557138907 /nfs/dbraw/zinc/13/89/07/557138907.db2.gz DFWBJUZUJMINIE-OFNKIYASSA-N 0 0 433.305 5.202 50 0 IKAARN CC[C@@H]1CCCC[N@@H+]1C[C@@H](C(C)=O)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000216158635 557140008 /nfs/dbraw/zinc/14/00/08/557140008.db2.gz NMNHSZRPCOBOLX-JCTONOIOSA-N 0 0 433.548 5.100 50 0 IKAARN Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc(C)c1Cl ZINC000004109798 557141367 /nfs/dbraw/zinc/14/13/67/557141367.db2.gz NQJUBFQYZSALIQ-UHFFFAOYSA-N 0 0 426.866 5.593 50 0 IKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2SC[C@H]2CCCO2)n1 ZINC000024222822 557141418 /nfs/dbraw/zinc/14/14/18/557141418.db2.gz ZGQBWUCPVAXTSE-MRXNPFEDSA-N 0 0 440.590 5.651 50 0 IKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024278623 557142980 /nfs/dbraw/zinc/14/29/80/557142980.db2.gz AEQVHOKQGOWWQF-ISKFKSNPSA-N 0 0 448.613 5.336 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@]3(c3ccccc3)C2=O)cc1 ZINC000003146076 557143891 /nfs/dbraw/zinc/14/38/91/557143891.db2.gz RNOHEJPLQGHZGB-IGDPSVTJSA-N 0 0 441.530 5.713 50 0 IKAARN Cc1c2cccc(F)c2oc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000023265332 557144085 /nfs/dbraw/zinc/14/40/85/557144085.db2.gz FBFNZRJKBZSOMW-UHFFFAOYSA-N 0 0 430.646 5.636 50 0 IKAARN O=C(CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000024358033 557145039 /nfs/dbraw/zinc/14/50/39/557145039.db2.gz AJCFJJNXANYKHE-UHFFFAOYSA-N 0 0 432.589 5.035 50 0 IKAARN Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000024365095 557145298 /nfs/dbraw/zinc/14/52/98/557145298.db2.gz DGLMCMZKAJCDJT-UHFFFAOYSA-N 0 0 426.925 5.826 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3ncccc3c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413441 557145683 /nfs/dbraw/zinc/14/56/83/557145683.db2.gz DJHWXJYNRXOQFA-XMMPIXPASA-N 0 0 436.515 5.620 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cc(F)c(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413810 557145708 /nfs/dbraw/zinc/14/57/08/557145708.db2.gz JNPAMFHAWDITSP-FQEVSTJZSA-N 0 0 439.437 5.489 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2F)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000009461136 557146220 /nfs/dbraw/zinc/14/62/20/557146220.db2.gz QGBPYYJRTNJLTA-UHFFFAOYSA-N 0 0 437.443 6.017 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccncc2)cc1 ZINC000009461622 557146252 /nfs/dbraw/zinc/14/62/52/557146252.db2.gz BYTIUKYIBNXDOK-RBBKRZOGSA-N 0 0 426.303 5.639 50 0 IKAARN Cc1noc([C@@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)n1 ZINC000024434106 557146773 /nfs/dbraw/zinc/14/67/73/557146773.db2.gz CAMWGEQXUGLSGW-LLVKDONJSA-N 0 0 438.384 6.302 50 0 IKAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000024459987 557147766 /nfs/dbraw/zinc/14/77/66/557147766.db2.gz ZIYXSUWXWGUQQV-ZDUSSCGKSA-N 0 0 437.754 6.454 50 0 IKAARN C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1ccc(F)c(F)c1F ZINC000011443907 557148347 /nfs/dbraw/zinc/14/83/47/557148347.db2.gz YSLLYMXFSBBYCD-ZETCQYMHSA-N 0 0 431.794 5.295 50 0 IKAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000000718725 557148909 /nfs/dbraw/zinc/14/89/09/557148909.db2.gz VDBIBYQPNVBFQN-UHFFFAOYSA-N 0 0 432.776 5.279 50 0 IKAARN Cc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)cc(C)c1OCc1cccnc1 ZINC000072288876 557150048 /nfs/dbraw/zinc/15/00/48/557150048.db2.gz XKCKNFTVAGGIAZ-UHFFFAOYSA-N 0 0 428.536 5.138 50 0 IKAARN CC(C)c1cc(Br)ccc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000006238775 557150346 /nfs/dbraw/zinc/15/03/46/557150346.db2.gz XAMCFNZGBNLJFD-UHFFFAOYSA-N 0 0 445.386 5.012 50 0 IKAARN Cc1nc(-c2ccc(CCNC(=O)Cc3csc(-c4cccs4)n3)s2)cs1 ZINC000024539173 557150714 /nfs/dbraw/zinc/15/07/14/557150714.db2.gz HFLJXXLLBRTNBU-UHFFFAOYSA-N 0 0 431.633 5.266 50 0 IKAARN COc1ccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2N2CCCCC2)cc1 ZINC000016400737 557151207 /nfs/dbraw/zinc/15/12/07/557151207.db2.gz OCVQVJWPSWWSHH-UHFFFAOYSA-N 0 0 443.547 5.119 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)no1 ZINC000024578154 557151723 /nfs/dbraw/zinc/15/17/23/557151723.db2.gz COUWSONAIJXZKI-UHFFFAOYSA-N 0 0 436.562 5.663 50 0 IKAARN CC(C)(C)C(=O)Nc1ccc(C(OC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000000723959 557152217 /nfs/dbraw/zinc/15/22/17/557152217.db2.gz SEXSCRBVTVXWIN-UHFFFAOYSA-N 0 0 447.375 5.848 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(-c3ccccc3)on1)CC2 ZINC000024601320 557152566 /nfs/dbraw/zinc/15/25/66/557152566.db2.gz VUDDTIJCBRNGMX-VWLOTQADSA-N 0 0 432.545 5.568 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc(N3CCCC3)n2C2CC2)cc1 ZINC000014730435 557156000 /nfs/dbraw/zinc/15/60/00/557156000.db2.gz LNRBMSPGVODJMB-UHFFFAOYSA-N 0 0 449.580 5.045 50 0 IKAARN Cc1cc(C(c2ccccc2)c2ccccc2)c(N)c(C(c2ccccc2)c2ccccc2)c1 ZINC000095100051 557156152 /nfs/dbraw/zinc/15/61/52/557156152.db2.gz NCXCFZUKRMOFHW-UHFFFAOYSA-N 0 0 439.602 7.938 50 0 IKAARN CSc1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000024627130 557156330 /nfs/dbraw/zinc/15/63/30/557156330.db2.gz RZWZITUWIBVKQQ-OAQYLSRUSA-N 0 0 432.589 5.073 50 0 IKAARN CCCCCN1c2ccccc2[C@@]2(c3[nH]c4ccccc4c3C[C@@H](C)N2C(=O)CC)C1=O ZINC000095115740 557156397 /nfs/dbraw/zinc/15/63/97/557156397.db2.gz RXMCCQKEPKHXNY-DNOBIOAJSA-N 0 0 429.564 5.132 50 0 IKAARN CCCCCN1c2ccccc2[C@]2(c3[nH]c4ccccc4c3C[C@@H](C)N2C(=O)CC)C1=O ZINC000095115739 557156506 /nfs/dbraw/zinc/15/65/06/557156506.db2.gz RXMCCQKEPKHXNY-CLYVBNDRSA-N 0 0 429.564 5.132 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024650118 557157379 /nfs/dbraw/zinc/15/73/79/557157379.db2.gz CSDJVZZQJWIOID-UHFFFAOYSA-N 0 0 446.016 5.027 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024683190 557158795 /nfs/dbraw/zinc/15/87/95/557158795.db2.gz PZNUGFUIHBTDHC-GFCCVEGCSA-N 0 0 444.862 5.068 50 0 IKAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709449 557159754 /nfs/dbraw/zinc/15/97/54/557159754.db2.gz NCQIMNREUQEVJF-DEOSSOPVSA-N 0 0 446.890 5.290 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Nc1ccccc1 ZINC000024734403 557161128 /nfs/dbraw/zinc/16/11/28/557161128.db2.gz SFBGVXBQWCSBTN-UHFFFAOYSA-N 0 0 428.319 5.448 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCC(C)C)[C@@H]2c2ccsc2)cc1 ZINC000095929201 557161691 /nfs/dbraw/zinc/16/16/91/557161691.db2.gz VVOIPIOEQBNGNG-RPWUZVMVSA-N 0 0 448.588 5.404 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000024828842 557162719 /nfs/dbraw/zinc/16/27/19/557162719.db2.gz JJJLMDZXTJBMNG-UHFFFAOYSA-N 0 0 429.879 5.679 50 0 IKAARN COc1ccc(CC(=O)Nc2ccccc2SCc2ccsc2)c(OC)c1OC ZINC000024753853 557162953 /nfs/dbraw/zinc/16/29/53/557162953.db2.gz GGCCUKGQIJSNKQ-UHFFFAOYSA-N 0 0 429.563 5.247 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1SCc1cscn1 ZINC000024754122 557162957 /nfs/dbraw/zinc/16/29/57/557162957.db2.gz YWHOIECNAQOHNB-UHFFFAOYSA-N 0 0 441.578 5.874 50 0 IKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1cccc(Cl)c1Cl ZINC000024763135 557164593 /nfs/dbraw/zinc/16/45/93/557164593.db2.gz JEFZBJJADOWVFQ-LLVKDONJSA-N 0 0 434.348 5.744 50 0 IKAARN COc1ncccc1C(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 ZINC000206872555 557165378 /nfs/dbraw/zinc/16/53/78/557165378.db2.gz ICNRKQWFKQXNSJ-UHFFFAOYSA-N 0 0 438.459 5.488 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)[C@H]1COc2ccccc2O1 ZINC000206896336 557165637 /nfs/dbraw/zinc/16/56/37/557165637.db2.gz VGSYYZQKCZFYHX-JOCHJYFZSA-N 0 0 432.476 5.395 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)n(C)n2)cc1 ZINC000206895374 557165657 /nfs/dbraw/zinc/16/56/57/557165657.db2.gz MWHGEJUFEYUUIT-UHFFFAOYSA-N 0 0 443.532 5.114 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)[C@@H]1COc2ccccc2O1 ZINC000206896285 557165661 /nfs/dbraw/zinc/16/56/61/557165661.db2.gz VGSYYZQKCZFYHX-QFIPXVFZSA-N 0 0 432.476 5.395 50 0 IKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cccc(-n2cccn2)c1 ZINC000206891953 557165700 /nfs/dbraw/zinc/16/57/00/557165700.db2.gz VZOOTLBTIQLHLD-UHFFFAOYSA-N 0 0 438.516 5.387 50 0 IKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2ncsc2c1 ZINC000206891698 557165703 /nfs/dbraw/zinc/16/57/03/557165703.db2.gz SGLFIRGXQORVGG-UHFFFAOYSA-N 0 0 429.530 5.811 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000024832008 557166108 /nfs/dbraw/zinc/16/61/08/557166108.db2.gz NNITVUFGKWVMFX-UHFFFAOYSA-N 0 0 433.489 5.289 50 0 IKAARN CC(C)c1ccc(-c2nc(C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC000024777521 557167094 /nfs/dbraw/zinc/16/70/94/557167094.db2.gz WPGAHAPEZQARLR-MRXNPFEDSA-N 0 0 442.606 5.170 50 0 IKAARN CCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(SC)cc2)ccc1N1CCCCC1 ZINC000000750759 557167946 /nfs/dbraw/zinc/16/79/46/557167946.db2.gz USIZMOLSJGKUSK-UHFFFAOYSA-N 0 0 440.613 5.525 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(N3CCc4ccccc4C3)c(C(=O)NC3CC3)c2)cc1 ZINC000000751320 557168266 /nfs/dbraw/zinc/16/82/66/557168266.db2.gz SLQWCGKFHCXTSK-UHFFFAOYSA-N 0 0 440.547 5.094 50 0 IKAARN Cc1cc(-n2c(C)cc(C(=O)CN3CCC(c4nc5ccccc5s4)CC3)c2C)no1 ZINC000024813268 557168735 /nfs/dbraw/zinc/16/87/35/557168735.db2.gz RUSHWHAVWICKOL-UHFFFAOYSA-N 0 0 434.565 5.063 50 0 IKAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206995032 557169133 /nfs/dbraw/zinc/16/91/33/557169133.db2.gz KEKQUBHFGUEPMH-NRFANRHFSA-N 0 0 429.948 5.200 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)no1 ZINC000024830104 557170059 /nfs/dbraw/zinc/17/00/59/557170059.db2.gz TXIKYBPWVFSQJK-UHFFFAOYSA-N 0 0 425.844 5.177 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024831073 557170264 /nfs/dbraw/zinc/17/02/64/557170264.db2.gz DRZMQXUMFKIBRS-JOCHJYFZSA-N 0 0 436.895 5.502 50 0 IKAARN CCOc1cc(-c2nnc(S[C@H](C)c3nc(C(C)C)no3)o2)cc(OCC)c1OCC ZINC000024830877 557170349 /nfs/dbraw/zinc/17/03/49/557170349.db2.gz APSBPJGQQHGPDH-CYBMUJFWSA-N 0 0 448.545 5.292 50 0 IKAARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000024833955 557171575 /nfs/dbraw/zinc/17/15/75/557171575.db2.gz XWRQUINSHQJXPO-UHFFFAOYSA-N 0 0 445.466 5.137 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000024839719 557172870 /nfs/dbraw/zinc/17/28/70/557172870.db2.gz OCWHUJHHDJZMAB-UHFFFAOYSA-N 0 0 446.429 5.330 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)no1 ZINC000024843005 557173552 /nfs/dbraw/zinc/17/35/52/557173552.db2.gz FODTYIVLFBUOSO-UHFFFAOYSA-N 0 0 436.562 5.663 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)nc1C ZINC000024864954 557174896 /nfs/dbraw/zinc/17/48/96/557174896.db2.gz LMXCTJJMRKDEJF-UHFFFAOYSA-N 0 0 439.518 5.264 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc3ncsc3c2)c(C(F)(F)F)c1)c1ccco1 ZINC000010965422 557176046 /nfs/dbraw/zinc/17/60/46/557176046.db2.gz YLKLQENXEGNINQ-UHFFFAOYSA-N 0 0 431.395 5.413 50 0 IKAARN O=C(Cc1csc(-c2ccccn2)n1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024877817 557176274 /nfs/dbraw/zinc/17/62/74/557176274.db2.gz KQTWBLGDIWTCPJ-DEOSSOPVSA-N 0 0 425.513 5.400 50 0 IKAARN CC1=C[C@@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000000783599 557180151 /nfs/dbraw/zinc/18/01/51/557180151.db2.gz WJBCXGNDJCUFGU-UXHICEINSA-N 0 0 434.621 5.713 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)N(c1ccccc1)C(=O)N2 ZINC000024926931 557180208 /nfs/dbraw/zinc/18/02/08/557180208.db2.gz RIYUFRZYPROWLH-JOCHJYFZSA-N 0 0 448.448 6.341 50 0 IKAARN CC1=C[C@@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000000783600 557180440 /nfs/dbraw/zinc/18/04/40/557180440.db2.gz WJBCXGNDJCUFGU-WOJBJXKFSA-N 0 0 434.621 5.713 50 0 IKAARN Cc1ccccc1-c1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000009095854 557181706 /nfs/dbraw/zinc/18/17/06/557181706.db2.gz RBFJJAGGNXGNBI-UHFFFAOYSA-N 0 0 426.851 5.183 50 0 IKAARN COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1F ZINC000024957504 557182446 /nfs/dbraw/zinc/18/24/46/557182446.db2.gz JHOSOMGLQLYBLP-SFHVURJKSA-N 0 0 444.506 5.966 50 0 IKAARN O=C(NCCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1)c1ccccc1 ZINC000009264898 557182740 /nfs/dbraw/zinc/18/27/40/557182740.db2.gz OBQBQSBRBNMIQV-UHFFFAOYSA-N 0 0 448.979 5.186 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2-c2ccccc2)c1 ZINC000009265033 557182825 /nfs/dbraw/zinc/18/28/25/557182825.db2.gz PHKAFCHQTKLCSG-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C(C)C)c1 ZINC000009262820 557184457 /nfs/dbraw/zinc/18/44/57/557184457.db2.gz IXYIPSWUDSNNLE-UHFFFAOYSA-N 0 0 449.605 5.689 50 0 IKAARN CC(=O)Nc1cc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc1F ZINC000024984773 557186151 /nfs/dbraw/zinc/18/61/51/557186151.db2.gz PHBYSBIUXHUSQZ-NRFANRHFSA-N 0 0 445.416 5.595 50 0 IKAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(NC(C)(C)C)s1 ZINC000024985699 557186446 /nfs/dbraw/zinc/18/64/46/557186446.db2.gz JQNPXRFISXRSMB-UHFFFAOYSA-N 0 0 425.576 5.571 50 0 IKAARN Cc1sc(NC(=O)CCc2nnc(-c3ccsc3)o2)nc1-c1ccc(Cl)cc1 ZINC000024986263 557186488 /nfs/dbraw/zinc/18/64/88/557186488.db2.gz FGDJZOGNUTWIIG-UHFFFAOYSA-N 0 0 430.942 5.455 50 0 IKAARN Clc1ccc(-c2nnc(CSc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)o2)cc1 ZINC000009328004 557187010 /nfs/dbraw/zinc/18/70/10/557187010.db2.gz RGTIHHNXLPDMHQ-UHFFFAOYSA-N 0 0 438.727 5.774 50 0 IKAARN Cc1sc2nc(SCc3nnsc3Cl)n(-c3ccccc3C)c(=O)c2c1C ZINC000024992625 557188022 /nfs/dbraw/zinc/18/80/22/557188022.db2.gz WCSZTHYNXRHMHA-UHFFFAOYSA-N 0 0 434.999 5.170 50 0 IKAARN O=C(COc1cccc(Oc2ccccn2)c1)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000024992374 557188060 /nfs/dbraw/zinc/18/80/60/557188060.db2.gz ZFCOYEFLXAXDNT-UHFFFAOYSA-N 0 0 436.851 5.305 50 0 IKAARN CC(=O)N(c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1)c1ccc(C)c(C)c1 ZINC000098002327 557188892 /nfs/dbraw/zinc/18/88/92/557188892.db2.gz BZNAZAYHJRKOMS-CIAFOILYSA-N 0 0 431.517 5.097 50 0 IKAARN O=C(CSc1n[nH]c(C=Cc2ccc(F)cc2)n1)N(c1ccccc1)C1CCCCC1 ZINC000098003816 557189479 /nfs/dbraw/zinc/18/94/79/557189479.db2.gz XZWVTSUINJSIJP-SSZFMOIBSA-N 0 0 436.556 5.572 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C)s2)cs1)c1c(C)cc(C)cc1Cl ZINC000025045666 557190296 /nfs/dbraw/zinc/19/02/96/557190296.db2.gz GOVVRVQUTYCOFC-UHFFFAOYSA-N 0 0 425.004 5.550 50 0 IKAARN Cc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000100841018 557190985 /nfs/dbraw/zinc/19/09/85/557190985.db2.gz LQCWYPLPMXHDFK-NFFVHWSESA-N 0 0 438.474 6.274 50 0 IKAARN O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc2ccccc21 ZINC000100834136 557191026 /nfs/dbraw/zinc/19/10/26/557191026.db2.gz LOBPOXWJSRKMSE-DEOSSOPVSA-N 0 0 430.507 5.890 50 0 IKAARN CCc1nc(SCC(=O)Nc2c(C)cccc2C)nc(N)c1-c1ccc(Cl)cc1 ZINC000025048803 557190958 /nfs/dbraw/zinc/19/09/58/557190958.db2.gz IKSKPSJBGAZDRU-UHFFFAOYSA-N 0 0 426.973 5.289 50 0 IKAARN Cc1cc(-c2nc(C)sc2CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)s1 ZINC000025050195 557191445 /nfs/dbraw/zinc/19/14/45/557191445.db2.gz SBUJHGIZDRJBCZ-LBPRGKRZSA-N 0 0 438.540 6.236 50 0 IKAARN Cc1cc(-c2nc(C)sc2CC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c(C)s1 ZINC000025050189 557191447 /nfs/dbraw/zinc/19/14/47/557191447.db2.gz SBUJHGIZDRJBCZ-GFCCVEGCSA-N 0 0 438.540 6.236 50 0 IKAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000009601310 557191614 /nfs/dbraw/zinc/19/16/14/557191614.db2.gz GRJFROGEVHSCSO-UHFFFAOYSA-N 0 0 427.298 5.700 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(-c4ccc(Br)cc4)o3)no2)cc1 ZINC000025054428 557192019 /nfs/dbraw/zinc/19/20/19/557192019.db2.gz PYEPAIUEAGZHDO-UHFFFAOYSA-N 0 0 449.717 5.495 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(CSc3nncn3-c3cccc(Cl)c3)n2)cc1 ZINC000025055525 557192091 /nfs/dbraw/zinc/19/20/91/557192091.db2.gz FYIIGSWXOIUXSG-UHFFFAOYSA-N 0 0 437.834 5.282 50 0 IKAARN CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1ccccc1 ZINC000009668990 557192320 /nfs/dbraw/zinc/19/23/20/557192320.db2.gz SYKIIFLQVDYBRG-UHFFFAOYSA-N 0 0 440.878 5.233 50 0 IKAARN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CNc1ccc(Oc2ccccc2)cc1 ZINC000003173979 557192408 /nfs/dbraw/zinc/19/24/08/557192408.db2.gz CHKPWYKJLVVMNN-STZFKDTASA-N 0 0 436.920 6.238 50 0 IKAARN Cc1ccccc1CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1-c1ccccc1 ZINC000009668981 557192434 /nfs/dbraw/zinc/19/24/34/557192434.db2.gz NJNDBZJODYLPFN-SFHVURJKSA-N 0 0 446.551 5.498 50 0 IKAARN COCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N\c1ccccc1 ZINC000100857266 557192889 /nfs/dbraw/zinc/19/28/89/557192889.db2.gz JDOJGPFKNMGSNZ-IZHYLOQSSA-N 0 0 449.601 5.718 50 0 IKAARN CCCc1nc(CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cs1 ZINC000025058792 557192877 /nfs/dbraw/zinc/19/28/77/557192877.db2.gz QZRUQNWLUMCIJQ-INIZCTEOSA-N 0 0 445.633 5.655 50 0 IKAARN CCCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 ZINC000100858209 557193030 /nfs/dbraw/zinc/19/30/30/557193030.db2.gz STCWQGFAPWPUOK-BYYHNAKLSA-N 0 0 441.600 6.892 50 0 IKAARN Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2Cl)c(-c2nc3c(cccc3C)o2)c1 ZINC000096279099 557193914 /nfs/dbraw/zinc/19/39/14/557193914.db2.gz SKZLGCBAOVDJKC-UHFFFAOYSA-N 0 0 448.327 6.186 50 0 IKAARN Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 ZINC000025068685 557194206 /nfs/dbraw/zinc/19/42/06/557194206.db2.gz IJVWBKWMMUUCTE-NZQKXSOJSA-N 0 0 433.577 5.206 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C2CCCC2)C2CCCC2)cc1 ZINC000072232528 557194887 /nfs/dbraw/zinc/19/48/87/557194887.db2.gz QZQUJMBNJBDBMD-UHFFFAOYSA-N 0 0 426.582 5.123 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000072232602 557194901 /nfs/dbraw/zinc/19/49/01/557194901.db2.gz XJAUPAVSHOPCHG-MRFFXTKBSA-N 0 0 429.351 6.407 50 0 IKAARN O=C(Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1)C1CC1 ZINC000072232825 557195891 /nfs/dbraw/zinc/19/58/91/557195891.db2.gz YBGGBHCJSAEIAS-UHFFFAOYSA-N 0 0 429.279 5.589 50 0 in-vitro IKAARN Cc1cc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)no1 ZINC000025137124 557196084 /nfs/dbraw/zinc/19/60/84/557196084.db2.gz FEDDUEDHVQAQSH-UHFFFAOYSA-N 0 0 449.363 5.330 50 0 IKAARN CCCCCOc1cccc(C(=O)/N=c2\sc3cc(C)ccc3n2CCOCC)c1 ZINC000100873279 557196174 /nfs/dbraw/zinc/19/61/74/557196174.db2.gz UQBWUIVGRYLFJO-IZHYLOQSSA-N 0 0 426.582 5.358 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2OC)c1-c1ccc(C)cc1 ZINC000025142968 557196464 /nfs/dbraw/zinc/19/64/64/557196464.db2.gz SYDCHSOYVTWWTK-UHFFFAOYSA-N 0 0 442.559 6.514 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cncc(Br)c1 ZINC000010971662 557196940 /nfs/dbraw/zinc/19/69/40/557196940.db2.gz WFIZLYUZUULYTB-UHFFFAOYSA-N 0 0 442.260 5.163 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(F)cc3)c2c1 ZINC000100894209 557199032 /nfs/dbraw/zinc/19/90/32/557199032.db2.gz DGJIZZOKWDKSJB-UHFFFAOYSA-N 0 0 436.508 5.657 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Nc2cccc(Oc3ccccc3)c2)c2ccccc2)cc1Cl ZINC000072235954 557200841 /nfs/dbraw/zinc/20/08/41/557200841.db2.gz ZWLVBIWPAJOYRK-SANMLTNESA-N 0 0 442.946 7.233 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000025276509 557202117 /nfs/dbraw/zinc/20/21/17/557202117.db2.gz UQMGBCXKNSABEC-UHFFFAOYSA-N 0 0 428.901 5.159 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000025277777 557202501 /nfs/dbraw/zinc/20/25/01/557202501.db2.gz BAZQBNARRHRFRD-UHFFFAOYSA-N 0 0 436.537 5.629 50 0 IKAARN Cc1ccc(Sc2ncccc2C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 ZINC000025316095 557203494 /nfs/dbraw/zinc/20/34/94/557203494.db2.gz BHOUYARQXUIFSB-UHFFFAOYSA-N 0 0 447.604 5.486 50 0 IKAARN O=C(N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CO)OCC1c2ccccc2-c2ccccc21 ZINC000096663727 557203980 /nfs/dbraw/zinc/20/39/80/557203980.db2.gz DAZJKWXGAIJJHY-LGVUCKNBSA-N 0 0 427.544 5.470 50 0 IKAARN O=C(CSc1nc(NC(=O)c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000072238667 557204441 /nfs/dbraw/zinc/20/44/41/557204441.db2.gz VUOJXUQZHYEVBJ-UHFFFAOYSA-N 0 0 448.931 6.222 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cs1 ZINC000011595425 557206857 /nfs/dbraw/zinc/20/68/57/557206857.db2.gz DDMODMIJQKTYOL-UHFFFAOYSA-N 0 0 426.563 5.156 50 0 IKAARN CCCc1ccc(C(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000025390733 557207257 /nfs/dbraw/zinc/20/72/57/557207257.db2.gz NNVPQCDIGHMUFL-QGZVFWFLSA-N 0 0 430.577 5.052 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Nc3ccc(N4CCOCC4)cc3)ccc21 ZINC000025390119 557207384 /nfs/dbraw/zinc/20/73/84/557207384.db2.gz MMNSXWVBKRHBCX-LJQANCHMSA-N 0 0 442.563 5.090 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cc2ccccc2o1 ZINC000010136548 557207655 /nfs/dbraw/zinc/20/76/55/557207655.db2.gz XGZWHGUUAOPUQJ-UHFFFAOYSA-N 0 0 446.454 5.461 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2SCc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000025396917 557208104 /nfs/dbraw/zinc/20/81/04/557208104.db2.gz QEVDOQGHCJBTJV-UHFFFAOYSA-N 0 0 442.540 6.131 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2 ZINC000023309178 557208271 /nfs/dbraw/zinc/20/82/71/557208271.db2.gz FPEKSGULXUOZBT-JUYOQADGSA-N 0 0 431.576 5.394 50 0 IKAARN CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1cc(C)on1)C3=O ZINC000011614379 557208276 /nfs/dbraw/zinc/20/82/76/557208276.db2.gz GCACRAZBSNGVLE-QHCPKHFHSA-N 0 0 442.515 5.699 50 0 IKAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000011614449 557208733 /nfs/dbraw/zinc/20/87/33/557208733.db2.gz AQHOKBCSULPWSS-QHCPKHFHSA-N 0 0 445.902 5.243 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000100967680 557208810 /nfs/dbraw/zinc/20/88/10/557208810.db2.gz FOGUVKOKUQBLPP-NFQMXDRXSA-N 0 0 426.491 6.396 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)NCCC1=CCCCC1)cc2-c1ccccc1 ZINC000025422251 557208900 /nfs/dbraw/zinc/20/89/00/557208900.db2.gz IXAATFHAJMYQIM-UHFFFAOYSA-N 0 0 432.589 6.009 50 0 IKAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccccc1Cl ZINC000011613702 557209884 /nfs/dbraw/zinc/20/98/84/557209884.db2.gz FMADBUKDZLQFQG-UHFFFAOYSA-N 0 0 431.908 5.426 50 0 IKAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(C4SCCCS4)c3)c12 ZINC000025449722 557210158 /nfs/dbraw/zinc/21/01/58/557210158.db2.gz SGCLWEZXLXWMST-UHFFFAOYSA-N 0 0 426.611 5.521 50 0 IKAARN COc1ccc(-n2c(=S)n(CN(C)[C@H]3CCc4ccccc43)nc2-c2ccncc2)cc1 ZINC000025453237 557210428 /nfs/dbraw/zinc/21/04/28/557210428.db2.gz JEKTVLWWALSQCT-QHCPKHFHSA-N 0 0 443.576 5.051 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000011614263 557210722 /nfs/dbraw/zinc/21/07/22/557210722.db2.gz YNAQWYXNOXMTLE-OAQYLSRUSA-N 0 0 430.529 5.740 50 0 IKAARN O=C(Nc1cc2ccccc2cc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000011617071 557210754 /nfs/dbraw/zinc/21/07/54/557210754.db2.gz GIZYIQXVCCCPJV-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)sc1C ZINC000011614258 557210822 /nfs/dbraw/zinc/21/08/22/557210822.db2.gz JEQKCRXMZKGMLZ-GOSISDBHSA-N 0 0 440.883 5.409 50 0 IKAARN Cc1nc(C)c(-c2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)o2)s1 ZINC000025459363 557211042 /nfs/dbraw/zinc/21/10/42/557211042.db2.gz RQUJFTYYBFJCSZ-UHFFFAOYSA-N 0 0 428.583 5.268 50 0 IKAARN CCCCCOC(=O)C1=C(C)NC2=CC(=O)CC(C)(C)C2[C@H]1c1ccc(OCC)cc1 ZINC000100992864 557211743 /nfs/dbraw/zinc/21/17/43/557211743.db2.gz KRXSBUDLHNLPOG-QHCPKHFHSA-N 0 0 425.569 5.423 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1c(OC)cccc1OC ZINC000023310997 557211833 /nfs/dbraw/zinc/21/18/33/557211833.db2.gz CFGLDZLFDRKJKU-INIZCTEOSA-N 0 0 445.581 6.044 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1 ZINC000011617473 557212330 /nfs/dbraw/zinc/21/23/30/557212330.db2.gz LQKMPJMJLPNWHO-UHFFFAOYSA-N 0 0 446.859 5.288 50 0 IKAARN O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(Cl)s1 ZINC000011617436 557213439 /nfs/dbraw/zinc/21/34/39/557213439.db2.gz FMBIJWCDKCOCHX-UHFFFAOYSA-N 0 0 446.722 5.382 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc(Br)cc3)=NN1C1(CCCCC1)O2 ZINC000025558593 557214055 /nfs/dbraw/zinc/21/40/55/557214055.db2.gz AIAMFFAXZFBPCQ-LJQANCHMSA-N 0 0 431.761 6.306 50 0 IKAARN 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 ZINC000025552144 557214132 /nfs/dbraw/zinc/21/41/32/557214132.db2.gz MNPFRDKDRKYDAA-NPLVJSTESA-N 0 0 442.684 7.283 50 0 IKAARN CC(C)(C)c1ccc2nc(-c3ccc(-c4nc5ccc(C(C)(C)C)cc5o4)s3)oc2c1 ZINC000025559132 557214448 /nfs/dbraw/zinc/21/44/48/557214448.db2.gz XGGQZYWYJSARPO-UHFFFAOYSA-N 0 0 430.573 7.960 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000025559809 557214456 /nfs/dbraw/zinc/21/44/56/557214456.db2.gz ZQLZSUTVFARGDZ-UWJYYQICSA-N 0 0 425.282 5.293 50 0 IKAARN CC(C)(C)c1cc(NC(=O)CCc2ccccc2)n(-c2ccc(Br)cc2)n1 ZINC000023315728 557214488 /nfs/dbraw/zinc/21/44/88/557214488.db2.gz KRWANAXPLPRBCU-UHFFFAOYSA-N 0 0 426.358 5.504 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCCC2)cc1OC ZINC000025579060 557215702 /nfs/dbraw/zinc/21/57/02/557215702.db2.gz WSSCHTWWRKZOAF-SFHVURJKSA-N 0 0 443.341 5.280 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)csc2=N[C@H]2CCc3ccccc3C2=O)cc1 ZINC000025576041 557215753 /nfs/dbraw/zinc/21/57/53/557215753.db2.gz RYZNHFDZPWCQEK-PQHDRGKASA-N 0 0 444.987 6.266 50 0 IKAARN O=c1nc(Nc2ccccc2)c(Cl)cn1-c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000000799221 557215919 /nfs/dbraw/zinc/21/59/19/557215919.db2.gz FBGGKMGEPCHVBZ-UHFFFAOYSA-N 0 0 440.890 5.952 50 0 biogenic IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2OC32CCCCC2)cc1OC ZINC000025579191 557215947 /nfs/dbraw/zinc/21/59/47/557215947.db2.gz RDUMNBJQPUAOQE-LJQANCHMSA-N 0 0 447.362 6.215 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000025579240 557215953 /nfs/dbraw/zinc/21/59/53/557215953.db2.gz OYYOSRCXTNKSGT-NVQXNPDNSA-N 0 0 430.504 5.345 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc3ccccc31)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000247777356 557216256 /nfs/dbraw/zinc/21/62/56/557216256.db2.gz YAFPRMDPAABEAK-DNZWLJDLSA-N 0 0 429.519 6.083 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000025581515 557216283 /nfs/dbraw/zinc/21/62/83/557216283.db2.gz SPGXZPLSFHAKBE-XUZZJYLKSA-N 0 0 448.906 5.378 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000025582116 557216646 /nfs/dbraw/zinc/21/66/46/557216646.db2.gz ILTVNBQABQMWBD-UKILVPOCSA-N 0 0 428.488 5.114 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)c(OC)c2)cc1 ZINC000025582459 557216707 /nfs/dbraw/zinc/21/67/07/557216707.db2.gz GOSABOAACAQEBL-YIXXDRMTSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582304 557216710 /nfs/dbraw/zinc/21/67/10/557216710.db2.gz IOCFQSZAKAGXAA-ZJSXRUAMSA-N 0 0 439.342 6.634 50 0 IKAARN COc1cc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000025583155 557216893 /nfs/dbraw/zinc/21/68/93/557216893.db2.gz HJWQVJMHMFWSQI-CPJSRVTESA-N 0 0 434.467 5.094 50 0 IKAARN COc1ccc(OC)c([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000025582546 557216943 /nfs/dbraw/zinc/21/69/43/557216943.db2.gz WBHGVAHFPLCIMJ-ZJSXRUAMSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000025582540 557216966 /nfs/dbraw/zinc/21/69/66/557216966.db2.gz WBHGVAHFPLCIMJ-QPPBQGQZSA-N 0 0 438.886 5.739 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1OC ZINC000025583046 557216999 /nfs/dbraw/zinc/21/69/99/557216999.db2.gz XTMUTWCHFWTFPY-RXFWQSSRSA-N 0 0 444.487 5.065 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1Br ZINC000025582663 557217007 /nfs/dbraw/zinc/21/70/07/557217007.db2.gz DRNNPHFLRGTFHV-URXFXBBRSA-N 0 0 449.348 6.008 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)c(Cl)c1 ZINC000025583686 557217304 /nfs/dbraw/zinc/21/73/04/557217304.db2.gz HRVYJLLIFZNVGP-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000025583588 557217367 /nfs/dbraw/zinc/21/73/67/557217367.db2.gz YJHUQNHKBJRDNA-IFMALSPDSA-N 0 0 447.724 7.028 50 0 IKAARN COc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025583361 557217399 /nfs/dbraw/zinc/21/73/99/557217399.db2.gz FQEXLYZAJNXJBL-OFNKIYASSA-N 0 0 435.321 5.700 50 0 IKAARN Cc1[nH]c2ccccc2c1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000011634436 557217451 /nfs/dbraw/zinc/21/74/51/557217451.db2.gz OPAMMOKIPMYTRM-OAQYLSRUSA-N 0 0 449.576 6.147 50 0 IKAARN Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 ZINC000025716596 557223272 /nfs/dbraw/zinc/22/32/72/557223272.db2.gz OFOXZMJZNRJIPO-KRWDZBQOSA-N 0 0 447.482 5.358 50 0 IKAARN COc1ccccc1OCC(=O)OCc1nc(O[C@H](C)c2ccccc2)ccc1Cl ZINC000072300969 557223506 /nfs/dbraw/zinc/22/35/06/557223506.db2.gz ZDLSWCVIGOMSRT-MRXNPFEDSA-N 0 0 427.884 5.006 50 0 IKAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000025726097 557223595 /nfs/dbraw/zinc/22/35/95/557223595.db2.gz KCGQCQPWFSUPDS-SFESAZTESA-N 0 0 446.628 5.345 50 0 IKAARN c1sc2nc(CN3CCOCC3)nc(NC3CCCCCCC3)c2c1-c1ccccc1 ZINC000025746933 557224161 /nfs/dbraw/zinc/22/41/61/557224161.db2.gz OFNAWJPDMNTNEM-UHFFFAOYSA-N 0 0 436.625 5.715 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000010013025 557224648 /nfs/dbraw/zinc/22/46/48/557224648.db2.gz ISKRUXIDPRTGAM-UHFFFAOYSA-N 0 0 447.869 6.470 50 0 IKAARN COc1ccc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1 ZINC000025762516 557224902 /nfs/dbraw/zinc/22/49/02/557224902.db2.gz MCNPOZMLKGDJGP-QPJJXVBHSA-N 0 0 447.964 5.704 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000025782871 557225680 /nfs/dbraw/zinc/22/56/80/557225680.db2.gz YONHAASWKKKLHS-NFBKMPQASA-N 0 0 443.305 6.383 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000025782650 557225766 /nfs/dbraw/zinc/22/57/66/557225766.db2.gz JMTIOEPSSCCSQK-SIKLNZKXSA-N 0 0 431.269 6.514 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000025782590 557225822 /nfs/dbraw/zinc/22/58/22/557225822.db2.gz BTQABEHTWQHGQV-UNMCSNQZSA-N 0 0 431.269 6.514 50 0 IKAARN Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000025783755 557226054 /nfs/dbraw/zinc/22/60/54/557226054.db2.gz FQYHPBCXTOWINF-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000025783701 557226069 /nfs/dbraw/zinc/22/60/69/557226069.db2.gz GFGLNWAAFCFTFI-BJKOFHAPSA-N 0 0 426.907 5.453 50 0 IKAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783742 557226180 /nfs/dbraw/zinc/22/61/80/557226180.db2.gz YKVKICAZLCIFEB-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1ccccc1O[C@H]2c1cccc(Cl)c1 ZINC000025783792 557226229 /nfs/dbraw/zinc/22/62/29/557226229.db2.gz QEIYBEYZJLEQCU-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783925 557226453 /nfs/dbraw/zinc/22/64/53/557226453.db2.gz MTHWFNCRTHBAJG-PKTZIBPZSA-N 0 0 448.860 5.422 50 0 IKAARN C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344110 557228431 /nfs/dbraw/zinc/22/84/31/557228431.db2.gz ICMLZKZVPZZXCA-LEWJYISDSA-N 0 0 429.564 5.151 50 0 IKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000011344107 557228465 /nfs/dbraw/zinc/22/84/65/557228465.db2.gz ICMLZKZVPZZXCA-SFTDATJTSA-N 0 0 429.564 5.151 50 0 IKAARN O=C(Cc1csc(-c2ccco2)n1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025852009 557228834 /nfs/dbraw/zinc/22/88/34/557228834.db2.gz WQMLTXSGMVGCFB-HXUWFJFHSA-N 0 0 427.529 5.375 50 0 IKAARN O=C(COc1cccc(Oc2ccccn2)c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025904452 557229773 /nfs/dbraw/zinc/22/97/73/557229773.db2.gz IGZPHNAGOLYBBE-SANMLTNESA-N 0 0 442.540 5.489 50 0 IKAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000025917997 557230328 /nfs/dbraw/zinc/23/03/28/557230328.db2.gz QBAHGYYNRCDKOM-NTKDMRAZSA-N 0 0 428.561 5.320 50 0 IKAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000025917991 557230389 /nfs/dbraw/zinc/23/03/89/557230389.db2.gz QBAHGYYNRCDKOM-CYFREDJKSA-N 0 0 428.561 5.320 50 0 IKAARN Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(Br)s3)cc2)cc1 ZINC000025920615 557230392 /nfs/dbraw/zinc/23/03/92/557230392.db2.gz OSFWRGCNYVLIAZ-UHFFFAOYSA-N 0 0 430.323 5.315 50 0 IKAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000025918002 557230411 /nfs/dbraw/zinc/23/04/11/557230411.db2.gz QBAHGYYNRCDKOM-YADARESESA-N 0 0 428.561 5.320 50 0 IKAARN Cc1ccc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)cc1Cl ZINC000032949925 557231323 /nfs/dbraw/zinc/23/13/23/557231323.db2.gz YNMMPAKWIMYSAB-UHFFFAOYSA-N 0 0 437.853 5.281 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC[C@H](CC)CCCC)cc2)cc1 ZINC000023319976 557231549 /nfs/dbraw/zinc/23/15/49/557231549.db2.gz NTUCEYLZHHCUNX-JOCHJYFZSA-N 0 0 431.624 6.828 50 0 IKAARN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000072304098 557231974 /nfs/dbraw/zinc/23/19/74/557231974.db2.gz LEKHVSZNBOBDET-SFHVURJKSA-N 0 0 430.614 5.417 50 0 IKAARN CCc1ccc(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023320863 557232138 /nfs/dbraw/zinc/23/21/38/557232138.db2.gz VBNLARKRTDGRKF-UHFFFAOYSA-N 0 0 433.617 5.950 50 0 IKAARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000018039361 557232457 /nfs/dbraw/zinc/23/24/57/557232457.db2.gz JMLMPGOCXPJOHC-UHFFFAOYSA-N 0 0 425.699 5.412 50 0 IKAARN Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 ZINC000026025171 557232584 /nfs/dbraw/zinc/23/25/84/557232584.db2.gz SGHJDLLFMKNJSX-UHFFFAOYSA-N 0 0 427.348 5.148 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072810 557232881 /nfs/dbraw/zinc/23/28/81/557232881.db2.gz GQVZSRNACHNRBE-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072836 557232965 /nfs/dbraw/zinc/23/29/65/557232965.db2.gz FGEVUJXSPLUEAE-UHFFFAOYSA-N 0 0 448.182 5.288 50 0 IKAARN O=C(OCC1c2ccccc2-c2ccccc21)n1cc(-c2noc(C3CC3)n2)c2ccccc21 ZINC000098071639 557233076 /nfs/dbraw/zinc/23/30/76/557233076.db2.gz PFVLQGHFBHHTCJ-UHFFFAOYSA-N 0 0 447.494 6.366 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(Cl)c1 ZINC000098072736 557233080 /nfs/dbraw/zinc/23/30/80/557233080.db2.gz KKUKCZFUYHFTKB-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073058 557233310 /nfs/dbraw/zinc/23/33/10/557233310.db2.gz COZSXSUJFPIFHA-UHFFFAOYSA-N 0 0 448.182 5.288 50 0 IKAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072849 557233318 /nfs/dbraw/zinc/23/33/18/557233318.db2.gz PVGXALYHMIIANX-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072879 557233362 /nfs/dbraw/zinc/23/33/62/557233362.db2.gz OEDITPFDJDYEFX-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN C[C@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073080 557233599 /nfs/dbraw/zinc/23/35/99/557233599.db2.gz OQJOBVMVAKQQKT-AWEZNQCLSA-N 0 0 426.285 5.561 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Br)cc1Cl ZINC000098073255 557233677 /nfs/dbraw/zinc/23/36/77/557233677.db2.gz XDDUXHQMVORUBY-UHFFFAOYSA-N 0 0 428.035 6.419 50 0 IKAARN CCCC1CCC(C2CCC(C(=O)Oc3ccc(C4CCC(CC)CC4)cc3)CC2)CC1 ZINC000098073407 557233707 /nfs/dbraw/zinc/23/37/07/557233707.db2.gz SDEIDIYASCTASZ-UHFFFAOYSA-N 0 0 438.696 8.689 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c(Cl)c1 ZINC000026089869 557234029 /nfs/dbraw/zinc/23/40/29/557234029.db2.gz IYOAWZGWTDPRBH-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(C(C)C)c3)n2)cc1F ZINC000098211433 557234922 /nfs/dbraw/zinc/23/49/22/557234922.db2.gz CCAOQBQSMRVCIL-UHFFFAOYSA-N 0 0 434.471 5.115 50 0 IKAARN COc1ccc(Nc2nc3ccccc3c(NCc3ccccc3Cl)n2)cc1Cl ZINC000072260540 557235251 /nfs/dbraw/zinc/23/52/51/557235251.db2.gz AMYHZILYJIKUSP-UHFFFAOYSA-N 0 0 425.319 6.301 50 0 IKAARN COc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)c2c[nH]c3ccccc32)cc1 ZINC000018074538 557235351 /nfs/dbraw/zinc/23/53/51/557235351.db2.gz UBUKYMNYGUVPPJ-QGZVFWFLSA-N 0 0 439.309 5.094 50 0 IKAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000098212267 557235493 /nfs/dbraw/zinc/23/54/93/557235493.db2.gz WLXBUNPSHYGSDG-LJQANCHMSA-N 0 0 435.524 5.029 50 0 IKAARN CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3)c(F)c2)CC1 ZINC000100003511 557236649 /nfs/dbraw/zinc/23/66/49/557236649.db2.gz SYCNHFWYTQQMNG-LZTDGCSZSA-N 0 0 448.710 10.421 50 0 IKAARN COc1ccc(-c2cn3c(C(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)cc1 ZINC000011902233 557236917 /nfs/dbraw/zinc/23/69/17/557236917.db2.gz PLLQUJRNDNRWMD-UHFFFAOYSA-N 0 0 433.411 5.222 50 0 IKAARN COc1ccccc1-c1cc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)on1 ZINC000026249053 557237960 /nfs/dbraw/zinc/23/79/60/557237960.db2.gz MUSKLLAOMVFBGU-UHFFFAOYSA-N 0 0 441.512 5.342 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000032950857 557237998 /nfs/dbraw/zinc/23/79/98/557237998.db2.gz DIGGJYXNFXKLOW-UHFFFAOYSA-N 0 0 434.927 5.495 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000032950786 557238628 /nfs/dbraw/zinc/23/86/28/557238628.db2.gz PNHKYYOCLICHMZ-UHFFFAOYSA-N 0 0 438.314 5.317 50 0 IKAARN Cc1noc(C)c1CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000026397741 557240434 /nfs/dbraw/zinc/24/04/34/557240434.db2.gz GNFAKNDFSCFHTK-UHFFFAOYSA-N 0 0 444.862 5.359 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCc3ccccc3Cl)[C@@H]2C2=C1CCC2 ZINC000026464406 557241844 /nfs/dbraw/zinc/24/18/44/557241844.db2.gz SHQASUGBCQYCKT-SIKLNZKXSA-N 0 0 442.053 7.063 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026460658 557241859 /nfs/dbraw/zinc/24/18/59/557241859.db2.gz AYNHOYAJONSUEY-KRWDZBQOSA-N 0 0 436.364 5.621 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCC(OCC)OCC)[C@H]2C2=C1CCC2 ZINC000026464505 557241953 /nfs/dbraw/zinc/24/19/53/557241953.db2.gz PKGPRHGUZIZZME-NQIIRXRSSA-N 0 0 433.643 5.609 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccccc1 ZINC000100141906 557242578 /nfs/dbraw/zinc/24/25/78/557242578.db2.gz USGQSXKQMPPQEB-XMMPIXPASA-N 0 0 428.557 6.854 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccc(F)cc1 ZINC000100141910 557242598 /nfs/dbraw/zinc/24/25/98/557242598.db2.gz PFZLSJHVJFSPLG-XMMPIXPASA-N 0 0 446.547 6.994 50 0 IKAARN Cc1nnc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1C1CCCCC1 ZINC000026482278 557242613 /nfs/dbraw/zinc/24/26/13/557242613.db2.gz TYASXUDWAHOAIX-AWEZNQCLSA-N 0 0 429.615 5.013 50 0 IKAARN O=C(NCCn1c2ccccc2nc1-c1ccccc1)Nc1ccccc1Br ZINC000032951346 557245096 /nfs/dbraw/zinc/24/50/96/557245096.db2.gz WITFKSDLUSXTQD-UHFFFAOYSA-N 0 0 435.325 5.288 50 0 IKAARN CCCCc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018179809 557245995 /nfs/dbraw/zinc/24/59/95/557245995.db2.gz PPRKEKGZLQCFJC-XIEYBQDHSA-N 0 0 426.516 5.678 50 0 IKAARN O=C(CSc1nnc(-c2ccc3ccccc3n2)s1)Nc1ccnc2ccccc21 ZINC000018191223 557246439 /nfs/dbraw/zinc/24/64/39/557246439.db2.gz UGEWZXXBYKSAAK-UHFFFAOYSA-N 0 0 429.530 5.032 50 0 IKAARN CCCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccccc1 ZINC000026688699 557246746 /nfs/dbraw/zinc/24/67/46/557246746.db2.gz RCWRUVMOFXJESS-VHXPQNKSSA-N 0 0 443.638 5.280 50 0 IKAARN CCCCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000026688708 557246831 /nfs/dbraw/zinc/24/68/31/557246831.db2.gz RUWPFYWCJVGJKB-VHXPQNKSSA-N 0 0 441.622 5.034 50 0 IKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)ccc1OCc1ccccc1 ZINC000018194347 557247293 /nfs/dbraw/zinc/24/72/93/557247293.db2.gz YSLMYQJNAORWGN-UHFFFAOYSA-N 0 0 438.552 7.060 50 0 IKAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCc1ccccc1Cl ZINC000032952550 557251313 /nfs/dbraw/zinc/25/13/13/557251313.db2.gz VUKJXMRFTJGIKD-UHFFFAOYSA-N 0 0 431.995 5.461 50 0 IKAARN Cc1ccc(C)c(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)n2C)c1 ZINC000032952561 557251358 /nfs/dbraw/zinc/25/13/58/557251358.db2.gz CPQBZDUQEWARSA-UHFFFAOYSA-N 0 0 425.604 5.424 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c(F)c1F ZINC000012651132 557251473 /nfs/dbraw/zinc/25/14/73/557251473.db2.gz CKUYRQJYALBPJB-UHFFFAOYSA-N 0 0 430.357 5.621 50 0 IKAARN O=C(CSc1ncnc2ccsc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000026959784 557252119 /nfs/dbraw/zinc/25/21/19/557252119.db2.gz JNZDEPHTPODRFO-CQSZACIVSA-N 0 0 442.616 5.284 50 0 IKAARN CCOP(=O)(OCC)[C@@H](NC(=O)/C=C/c1ccccc1Cl)C(Cl)(Cl)Cl ZINC000026962913 557252533 /nfs/dbraw/zinc/25/25/33/557252533.db2.gz PYBVVWZAECKYBM-ATWMFIQVSA-N 0 0 449.098 5.432 50 0 IKAARN COC(=O)c1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCC2 ZINC000026965917 557252865 /nfs/dbraw/zinc/25/28/65/557252865.db2.gz DNTHLPCXLMWAGB-UHFFFAOYSA-N 0 0 440.373 6.187 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000026984699 557253197 /nfs/dbraw/zinc/25/31/97/557253197.db2.gz HHYFQPPKXYUWCV-UHFFFAOYSA-N 0 0 445.928 5.046 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c(C)c1 ZINC000101094443 557253997 /nfs/dbraw/zinc/25/39/97/557253997.db2.gz OAEGODNZVQDDQS-UHFFFAOYSA-N 0 0 440.565 5.264 50 0 IKAARN Cc1cc2c(cc1C)N(Cc1cccc(Br)c1)C(=O)CC(c1cccs1)=N2 ZINC000101102469 557255601 /nfs/dbraw/zinc/25/56/01/557255601.db2.gz FBUCSNYTHKTATD-UHFFFAOYSA-N 0 0 439.378 6.185 50 0 IKAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 ZINC000032953003 557256677 /nfs/dbraw/zinc/25/66/77/557256677.db2.gz CFCGJGOQOPEMRW-UHFFFAOYSA-N 0 0 436.559 5.184 50 0 IKAARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 ZINC000101119520 557256884 /nfs/dbraw/zinc/25/68/84/557256884.db2.gz FUYDJJRFPJQRSP-RUZDIDTESA-N 0 0 445.522 5.859 50 0 IKAARN CC(=O)C(Sc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn21)=C(C)O ZINC000101158423 557257122 /nfs/dbraw/zinc/25/71/22/557257122.db2.gz ZZKJGCRZBXCEBG-UHFFFAOYSA-N 0 0 429.973 5.294 50 0 IKAARN Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(Br)cc3)nc21 ZINC000027117647 557257258 /nfs/dbraw/zinc/25/72/58/557257258.db2.gz GJZZGUBPGZCDAY-UHFFFAOYSA-N 0 0 431.131 5.532 50 0 IKAARN O=C(NCCCc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023322319 557257932 /nfs/dbraw/zinc/25/79/32/557257932.db2.gz DLVKOBSYXHPMME-UHFFFAOYSA-N 0 0 449.545 5.014 50 0 IKAARN Cc1ccc(C)c(-n2cc(CN(C)Cc3nnc(-c4ccccc4)o3)c(-c3ccccc3)n2)c1 ZINC000014969311 557259267 /nfs/dbraw/zinc/25/92/67/557259267.db2.gz KASXDXIMYCUMRF-UHFFFAOYSA-N 0 0 449.558 5.838 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000100427112 557260789 /nfs/dbraw/zinc/26/07/89/557260789.db2.gz GJOLVIJGYYPNSF-XHCCPWGMSA-N 0 0 428.507 6.772 50 0 IKAARN COc1ccc(-c2cc3[n-]c(C[N@H+](C)Cc4ccc(SC)cc4)nc(=O)c3s2)cc1 ZINC000027351476 557260819 /nfs/dbraw/zinc/26/08/19/557260819.db2.gz AOPVZISZFAJDSM-UHFFFAOYSA-N 0 0 437.590 5.014 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000027354784 557260831 /nfs/dbraw/zinc/26/08/31/557260831.db2.gz WYGLEFIAGWCHAV-OAQYLSRUSA-N 0 0 427.529 5.029 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000027354788 557260845 /nfs/dbraw/zinc/26/08/45/557260845.db2.gz WYGLEFIAGWCHAV-NRFANRHFSA-N 0 0 427.529 5.029 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1 ZINC000100429424 557261188 /nfs/dbraw/zinc/26/11/88/557261188.db2.gz UWZCCBFSICZUSI-HFJWLAOPSA-N 0 0 428.488 5.858 50 0 IKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)Nc3ccccc3Br)cc12 ZINC000032953761 557261253 /nfs/dbraw/zinc/26/12/53/557261253.db2.gz OPUPKUPSMZGKQO-UHFFFAOYSA-N 0 0 439.357 5.940 50 0 IKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc12 ZINC000032953774 557261303 /nfs/dbraw/zinc/26/13/03/557261303.db2.gz PTZRUWRSSAMINY-UHFFFAOYSA-N 0 0 439.357 5.940 50 0 IKAARN CCc1ccccc1NC(=O)Cc1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000032953976 557261838 /nfs/dbraw/zinc/26/18/38/557261838.db2.gz KZDMOONSAGRHFG-UHFFFAOYSA-N 0 0 428.561 5.303 50 0 IKAARN CCCn1cc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)c2ccccc21 ZINC000023322403 557262430 /nfs/dbraw/zinc/26/24/30/557262430.db2.gz IHWQNBCAJDNHOR-UHFFFAOYSA-N 0 0 430.470 5.970 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000027489006 557262794 /nfs/dbraw/zinc/26/27/94/557262794.db2.gz AFHFFMLKQPXFGF-HHHXNRCGSA-N 0 0 437.543 5.784 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000027489008 557262850 /nfs/dbraw/zinc/26/28/50/557262850.db2.gz AFHFFMLKQPXFGF-MHZLTWQESA-N 0 0 437.543 5.784 50 0 IKAARN COc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000000819705 557263027 /nfs/dbraw/zinc/26/30/27/557263027.db2.gz JAMJVAOKKWAGHH-UHFFFAOYSA-N 0 0 426.925 5.401 50 0 IKAARN Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 ZINC000027520969 557263487 /nfs/dbraw/zinc/26/34/87/557263487.db2.gz UTTLFKJVLDIHCS-VYIQYICTSA-N 0 0 430.305 6.279 50 0 IKAARN CCCCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000027585098 557266862 /nfs/dbraw/zinc/26/68/62/557266862.db2.gz NNDCZDNCAHDEAT-UHFFFAOYSA-N 0 0 432.571 7.458 50 0 IKAARN CSc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000032954381 557267203 /nfs/dbraw/zinc/26/72/03/557267203.db2.gz YKZFGDNMPHZMKK-UHFFFAOYSA-N 0 0 425.366 5.231 50 0 IKAARN O=C(CSc1nc2ccccc2s1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000072272006 557267642 /nfs/dbraw/zinc/26/76/42/557267642.db2.gz RJNFKNIQMVNLLL-UHFFFAOYSA-N 0 0 440.619 5.046 50 0 IKAARN CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000027647201 557268197 /nfs/dbraw/zinc/26/81/97/557268197.db2.gz QTWNORFUQILKJL-UHFFFAOYSA-N 0 0 437.499 5.145 50 0 in-vitro IKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000027643791 557268289 /nfs/dbraw/zinc/26/82/89/557268289.db2.gz SFTGFGOBCQCZDY-DOFZRALJSA-N 0 0 448.603 7.844 50 0 in-vitro IKAARN CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000000823206 557268742 /nfs/dbraw/zinc/26/87/42/557268742.db2.gz TWBJPYZUBKVQNU-MJGOQNOKSA-N 0 0 439.364 5.595 50 0 IKAARN Cc1ccc(NC(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)cc1C ZINC000000825557 557268777 /nfs/dbraw/zinc/26/87/77/557268777.db2.gz NWNDSZCALFTVOM-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN CC[C@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl ZINC000000823212 557268783 /nfs/dbraw/zinc/26/87/83/557268783.db2.gz VOOLDIGNBZELOQ-DNVCBOLYSA-N 0 0 439.364 5.595 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1nc(SCc2ccccc2)ncc1Br ZINC000027662401 557268899 /nfs/dbraw/zinc/26/88/99/557268899.db2.gz CUZIQQGURHLMNF-UHFFFAOYSA-N 0 0 434.746 5.437 50 0 IKAARN Cc1c2ccc(Br)cc2oc1C(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000027662663 557269139 /nfs/dbraw/zinc/26/91/39/557269139.db2.gz NJOWGYRFPUZCTD-UHFFFAOYSA-N 0 0 440.362 6.721 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl ZINC000027662845 557269228 /nfs/dbraw/zinc/26/92/28/557269228.db2.gz NGQJBYVSXPGEBZ-UHFFFAOYSA-N 0 0 435.376 6.022 50 0 IKAARN COc1cc(C(=O)N(Cc2cccc3ccccc32)c2ccccn2)cc(OC)c1OC ZINC000027662776 557269236 /nfs/dbraw/zinc/26/92/36/557269236.db2.gz YIDOLWBJCRFCEK-UHFFFAOYSA-N 0 0 428.488 5.108 50 0 IKAARN COc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)c2ccccn2)cc1OC ZINC000027663791 557269945 /nfs/dbraw/zinc/26/99/45/557269945.db2.gz SQNXKTCLJRRGCK-UHFFFAOYSA-N 0 0 434.536 5.009 50 0 IKAARN O=C(Nc1ccc2ccccc2c1)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000027664156 557270296 /nfs/dbraw/zinc/27/02/96/557270296.db2.gz TZLOQTAWULRVNU-UHFFFAOYSA-N 0 0 440.355 6.481 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000027664269 557270303 /nfs/dbraw/zinc/27/03/03/557270303.db2.gz BINREJPPALWDOG-UHFFFAOYSA-N 0 0 432.501 5.808 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000100703443 557270413 /nfs/dbraw/zinc/27/04/13/557270413.db2.gz OJFLUQGUAZPQCU-URXFXBBRSA-N 0 0 437.326 6.054 50 0 IKAARN COc1ccccc1O[C@H](C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(C)c1 ZINC000027664487 557270565 /nfs/dbraw/zinc/27/05/65/557270565.db2.gz OUCZHNDLEJRVEP-QGZVFWFLSA-N 0 0 444.487 5.408 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827118 557270620 /nfs/dbraw/zinc/27/06/20/557270620.db2.gz PCOCGKPYSUTCCJ-UHFFFAOYSA-N 0 0 441.196 5.567 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827035 557270629 /nfs/dbraw/zinc/27/06/29/557270629.db2.gz IIQLWAMDPKMDKI-UHFFFAOYSA-N 0 0 436.846 5.060 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000826518 557270639 /nfs/dbraw/zinc/27/06/39/557270639.db2.gz BREVJTKXDNDDIE-UHFFFAOYSA-N 0 0 446.816 5.329 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827116 557270644 /nfs/dbraw/zinc/27/06/44/557270644.db2.gz AIFREPMEZZSHFY-UHFFFAOYSA-N 0 0 441.196 5.567 50 0 IKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1Br ZINC000000826453 557270690 /nfs/dbraw/zinc/27/06/90/557270690.db2.gz HUFLCDCMAPLRGU-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C(=O)c2ccccc2)cc1 ZINC000100708158 557270703 /nfs/dbraw/zinc/27/07/03/557270703.db2.gz VXNCYQATTAKWLC-URXFXBBRSA-N 0 0 447.332 5.510 50 0 IKAARN Brc1ccc(-c2nnc(-c3cc(-c4ccccc4)nc4ccccc43)o2)cc1 ZINC000008398901 557270767 /nfs/dbraw/zinc/27/07/67/557270767.db2.gz KGCWYGVXNQOYPC-UHFFFAOYSA-N 0 0 428.289 6.381 50 0 IKAARN Cc1nc2n(n1)[C@@H](c1ccccc1OC(F)F)CC(c1ccc(-c3ccccc3)cc1)=N2 ZINC000100716810 557271194 /nfs/dbraw/zinc/27/11/94/557271194.db2.gz HXVOIKBDVZHIRQ-JOCHJYFZSA-N 0 0 430.458 5.911 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cccc(Br)c1 ZINC000027735036 557271963 /nfs/dbraw/zinc/27/19/63/557271963.db2.gz YJLWXOMYGNZLAU-LBPRGKRZSA-N 0 0 435.268 5.192 50 0 IKAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)nn21 ZINC000000829519 557272414 /nfs/dbraw/zinc/27/24/14/557272414.db2.gz VUXAVTYNBSRLAE-UHFFFAOYSA-N 0 0 432.527 5.547 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100731087 557272475 /nfs/dbraw/zinc/27/24/75/557272475.db2.gz RECBXZKDZRLXGY-FPOVZHCZSA-N 0 0 440.728 5.740 50 0 IKAARN CCCOc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC000027744603 557272586 /nfs/dbraw/zinc/27/25/86/557272586.db2.gz RIRXSADSBLSONG-DEOSSOPVSA-N 0 0 428.532 5.527 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000100731093 557272675 /nfs/dbraw/zinc/27/26/75/557272675.db2.gz PBRBUFIYYBBYBH-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027746171 557272823 /nfs/dbraw/zinc/27/28/23/557272823.db2.gz DGKOPJBPEIXTBA-RUZDIDTESA-N 0 0 442.559 5.627 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)c2c[nH]c3ccccc32)cc1 ZINC000027746242 557272828 /nfs/dbraw/zinc/27/28/28/557272828.db2.gz QSFXLHQKBSSLKZ-HSZRJFAPSA-N 0 0 428.532 5.120 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746268 557272871 /nfs/dbraw/zinc/27/28/71/557272871.db2.gz YQTJHWKXMUROMK-DEOSSOPVSA-N 0 0 428.532 5.120 50 0 IKAARN O=C(COc1ccc(Br)cc1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027746859 557272884 /nfs/dbraw/zinc/27/28/84/557272884.db2.gz LNCQEYGNIXXQHF-NRFANRHFSA-N 0 0 449.348 5.258 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000027789037 557273752 /nfs/dbraw/zinc/27/37/52/557273752.db2.gz FMEBUUMICFTMEC-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2OC)n1 ZINC000027776408 557273759 /nfs/dbraw/zinc/27/37/59/557273759.db2.gz KGWHIZGTTCROOW-ZDUSSCGKSA-N 0 0 427.555 5.193 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000027789034 557273782 /nfs/dbraw/zinc/27/37/82/557273782.db2.gz FMEBUUMICFTMEC-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3Cl)CC2=O)cc1 ZINC000027792712 557274115 /nfs/dbraw/zinc/27/41/15/557274115.db2.gz TXKYSAUYXNECMA-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N/c1ccccc1 ZINC000101337135 557274294 /nfs/dbraw/zinc/27/42/94/557274294.db2.gz OTNFJYGGDGWCRV-OCOZRVBESA-N 0 0 433.602 6.481 50 0 IKAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000027795514 557274962 /nfs/dbraw/zinc/27/49/62/557274962.db2.gz XLARFNCOIZLBRE-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(OC)c2)cc1 ZINC000101353292 557275084 /nfs/dbraw/zinc/27/50/84/557275084.db2.gz VGEAXFGXBVPIKY-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000101373341 557275584 /nfs/dbraw/zinc/27/55/84/557275584.db2.gz BRHVXVCDVNHEPY-BCHFMIIMSA-N 0 0 440.568 6.708 50 0 IKAARN COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)cc1OC ZINC000101347779 557279854 /nfs/dbraw/zinc/27/98/54/557279854.db2.gz RXPSIUVZCCTXDZ-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN O=C(OC(c1ccccc1)c1ccccc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000100987853 557280783 /nfs/dbraw/zinc/28/07/83/557280783.db2.gz NEMLZQOZDWOTLD-DNQXCXABSA-N 0 0 437.495 5.089 50 0 IKAARN CC1=C(CC(=O)NCc2ccco2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101378551 557281473 /nfs/dbraw/zinc/28/14/73/557281473.db2.gz QWSIAAFSNMINOX-SFBBKYIBSA-N 0 0 435.520 5.190 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccc(F)c2)c2c[nH]c3ccccc32)cc1 ZINC000013096159 557282125 /nfs/dbraw/zinc/28/21/25/557282125.db2.gz IXBXYMZCCGWCHC-USXRGHEGSA-N 0 0 427.523 5.335 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCC1)c1ccccc1Br ZINC000101095586 557283027 /nfs/dbraw/zinc/28/30/27/557283027.db2.gz UILYEEXRRAWHDE-UHFFFAOYSA-N 0 0 427.298 5.162 50 0 IKAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1ccc2ccccc2c1 ZINC000011665532 557284144 /nfs/dbraw/zinc/28/41/44/557284144.db2.gz MWWIZSKXASRJOW-UHFFFAOYSA-N 0 0 442.482 5.259 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br ZINC000000830093 557284565 /nfs/dbraw/zinc/28/45/65/557284565.db2.gz KYBNXFXPSXTKBJ-UHFFFAOYSA-N 0 0 436.309 5.643 50 0 IKAARN CC1=CC(C)(C)N(C(=O)/C=C\c2ccccc2)c2ccc(OC(=O)/C=C\c3ccccc3)cc21 ZINC000101413511 557284695 /nfs/dbraw/zinc/28/46/95/557284695.db2.gz IIFVKEOOJCVEJF-DJTQBEGKSA-N 0 0 449.550 6.547 50 0 IKAARN O=C(Nc1cc(NC(=O)c2ccccc2Br)ccc1Cl)c1ccccc1 ZINC000000830112 557285006 /nfs/dbraw/zinc/28/50/06/557285006.db2.gz IXCRXEGBXKXSQL-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN CC1=C(CC(=O)Nc2cccnc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101460212 557285076 /nfs/dbraw/zinc/28/50/76/557285076.db2.gz BNOFGSHODHMIEE-JELJHHCJSA-N 0 0 432.520 5.315 50 0 IKAARN CC1=C(CC(=O)Nc2cccnc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101460209 557285151 /nfs/dbraw/zinc/28/51/51/557285151.db2.gz BNOFGSHODHMIEE-SFBBKYIBSA-N 0 0 432.520 5.315 50 0 IKAARN C/C(=C\c1ccccc1)[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000101459178 557285172 /nfs/dbraw/zinc/28/51/72/557285172.db2.gz BAQVUCVADXCJET-GHZVVNKJSA-N 0 0 434.543 6.123 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000101433464 557285388 /nfs/dbraw/zinc/28/53/88/557285388.db2.gz VJHKNBKSARUQMQ-PIKZIKFNSA-N 0 0 440.518 6.704 50 0 IKAARN CC1=C(CC(=O)Nc2nccs2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101450058 557285687 /nfs/dbraw/zinc/28/56/87/557285687.db2.gz OWZZPDJNIRNDDL-QJVLNZARSA-N 0 0 438.549 5.376 50 0 IKAARN CC1=C(CC(=O)Nc2ccc(O)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101477181 557287692 /nfs/dbraw/zinc/28/76/92/557287692.db2.gz INXJGLQKAJFXIC-PTKAHWJQSA-N 0 0 447.531 5.625 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccc(F)cc4)cc2-3)cc1 ZINC000101489093 557287969 /nfs/dbraw/zinc/28/79/69/557287969.db2.gz HUZPXNMLVVVZOG-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCCO5)cc1 ZINC000101488860 557288045 /nfs/dbraw/zinc/28/80/45/557288045.db2.gz RIFRXARBJAPQCB-UHFFFAOYSA-N 0 0 441.918 5.984 50 0 IKAARN COc1ccccc1Cn1cc2c(-c3ccc(C)cc3)nnc-2c2cc(OC)c(OC)cc21 ZINC000101489205 557288266 /nfs/dbraw/zinc/28/82/66/557288266.db2.gz ODJJQIQEOYIQKY-UHFFFAOYSA-N 0 0 439.515 5.586 50 0 IKAARN COc1ccc2c(c1)c1nnc(-c3ccc(Cl)cc3)c-1cn2Cc1ccccc1OC ZINC000101489249 557288301 /nfs/dbraw/zinc/28/83/01/557288301.db2.gz SYSVRWODKQCPNB-UHFFFAOYSA-N 0 0 429.907 5.922 50 0 IKAARN COc1ccccc1Cn1cc2c(-c3ccc(F)cc3)nnc-2c2cc3c(cc21)OCO3 ZINC000101489243 557288314 /nfs/dbraw/zinc/28/83/14/557288314.db2.gz YYKXSLJMNKJZSC-UHFFFAOYSA-N 0 0 427.435 5.128 50 0 IKAARN CC1=C(CC(=O)Nc2ccccn2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101489485 557288338 /nfs/dbraw/zinc/28/83/38/557288338.db2.gz OHQDKMCUFBHAKN-BALZKWHASA-N 0 0 432.520 5.315 50 0 IKAARN O=c1c2c3c(sc2[nH]c2c1CCCCC2)C(=O)C(Br)(Br)CC3 ZINC000101313602 557289495 /nfs/dbraw/zinc/28/94/95/557289495.db2.gz HYRJGLHHFNQNQX-QMMMGPOBSA-N 0 0 445.176 5.212 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)cc1OCc1ccccc1 ZINC000101513937 557290154 /nfs/dbraw/zinc/29/01/54/557290154.db2.gz YZENKZBTWPYRNQ-JOCHJYFZSA-N 0 0 428.467 5.061 50 0 IKAARN Clc1ccc(C2=Nc3nc(-c4ccccc4)nn3[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000101514222 557290517 /nfs/dbraw/zinc/29/05/17/557290517.db2.gz SZPXNCQBMQOYSG-FQEVSTJZSA-N 0 0 428.879 5.383 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3ccccc3Cl)c(Cl)c12 ZINC000011665722 557291958 /nfs/dbraw/zinc/29/19/58/557291958.db2.gz OSODJIJULZMAFS-UHFFFAOYSA-N 0 0 429.282 5.105 50 0 IKAARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccco2)cc1 ZINC000101380642 557292264 /nfs/dbraw/zinc/29/22/64/557292264.db2.gz VJPJZXLIGRIPPM-HRFSGMKKSA-N 0 0 438.527 6.548 50 0 IKAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccc2ccccc2n1 ZINC000014055502 557292427 /nfs/dbraw/zinc/29/24/27/557292427.db2.gz YCKFWILHVUBHQC-UHFFFAOYSA-N 0 0 448.511 5.320 50 0 IKAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OCc4ccccc4Cl)cc3)C2)cc1 ZINC000101402680 557292448 /nfs/dbraw/zinc/29/24/48/557292448.db2.gz RUAXQGASXFYRHZ-HSZRJFAPSA-N 0 0 449.341 6.220 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)no1 ZINC000101718412 557294512 /nfs/dbraw/zinc/29/45/12/557294512.db2.gz YWRDUXNUYNBBTF-MRXNPFEDSA-N 0 0 434.721 5.280 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 ZINC000014066340 557295026 /nfs/dbraw/zinc/29/50/26/557295026.db2.gz UNORRBKUUCOTLF-OAHLLOKOSA-N 0 0 427.285 5.449 50 0 IKAARN C[C@H](NC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 ZINC000014066343 557295148 /nfs/dbraw/zinc/29/51/48/557295148.db2.gz UNORRBKUUCOTLF-HNNXBMFYSA-N 0 0 427.285 5.449 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000013117859 557296576 /nfs/dbraw/zinc/29/65/76/557296576.db2.gz HBCBGUVKHZOZEX-UHFFFAOYSA-N 0 0 444.004 5.021 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3[nH]c(CNc4cccc(C(F)(F)F)c4)cc(=O)n3n2)cc1 ZINC000101747805 557296842 /nfs/dbraw/zinc/29/68/42/557296842.db2.gz MPAMSAZBNZRZPC-UHFFFAOYSA-N 0 0 441.457 5.013 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000101939701 557297028 /nfs/dbraw/zinc/29/70/28/557297028.db2.gz OZMKOAJSAFGHAK-LQKXBSAESA-N 0 0 440.897 5.600 50 0 IKAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000014068979 557297331 /nfs/dbraw/zinc/29/73/31/557297331.db2.gz FGOXEWXMPIJAKJ-GOSISDBHSA-N 0 0 440.572 5.931 50 0 IKAARN O=S(=O)(c1ccccc1Cl)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023324248 557298337 /nfs/dbraw/zinc/29/83/37/557298337.db2.gz DUHGRQWUBARCNH-UHFFFAOYSA-N 0 0 425.981 5.650 50 0 IKAARN O=C(OCc1ccccc1)N1CCC2(CN(c3ccc(Cl)cc3Cl)C(=O)O2)CC1 ZINC000071789071 557298359 /nfs/dbraw/zinc/29/83/59/557298359.db2.gz WOLNIWNMBCLINT-UHFFFAOYSA-N 0 0 435.307 5.121 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@H]4C(C)C)cc3C2=O)c1 ZINC000102066509 557298364 /nfs/dbraw/zinc/29/83/64/557298364.db2.gz KJORDJNCXCUSDH-GERBCZOESA-N 0 0 433.548 5.722 50 0 biogenic IKAARN C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 ZINC000102080697 557298528 /nfs/dbraw/zinc/29/85/28/557298528.db2.gz RLDHEJRFLYLOHX-JCURWCKSSA-N 0 0 432.303 5.138 50 0 IKAARN CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101797363 557298936 /nfs/dbraw/zinc/29/89/36/557298936.db2.gz FTBMFBOAECUMAU-SFHVURJKSA-N 0 0 428.323 5.235 50 0 IKAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)nc2c1 ZINC000013141852 557299505 /nfs/dbraw/zinc/29/95/05/557299505.db2.gz AJKWNNWJNQVDLO-UHFFFAOYSA-N 0 0 439.993 6.407 50 0 IKAARN Cc1cc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)no1 ZINC000014085125 557299929 /nfs/dbraw/zinc/29/99/29/557299929.db2.gz ZSYMJQABGMBXAY-UHFFFAOYSA-N 0 0 431.348 5.889 50 0 IKAARN CCCCOCCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023324368 557300564 /nfs/dbraw/zinc/30/05/64/557300564.db2.gz SKDGLZRLFPOKFU-UHFFFAOYSA-N 0 0 446.378 5.987 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@]3(C)CC(C)=O)cc1 ZINC000102278081 557300915 /nfs/dbraw/zinc/30/09/15/557300915.db2.gz YLSMCVTZUOBINC-HJBLQDPUSA-N 0 0 429.314 5.179 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(Cl)cc4)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000101835337 557301678 /nfs/dbraw/zinc/30/16/78/557301678.db2.gz AZBCQKXJRHOYPM-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(F)cc4)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000101835324 557301697 /nfs/dbraw/zinc/30/16/97/557301697.db2.gz WORHWFLZUJRNOO-JOCHJYFZSA-N 0 0 425.467 5.034 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000014093127 557302138 /nfs/dbraw/zinc/30/21/38/557302138.db2.gz GIQQZVUAVDRWDJ-HRAATJIYSA-N 0 0 436.581 5.595 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4cccc(Br)c4)o3)cs2)cc1 ZINC000014094265 557302336 /nfs/dbraw/zinc/30/23/36/557302336.db2.gz ADCFFHSSTASVKI-UHFFFAOYSA-N 0 0 444.379 6.223 50 0 IKAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc12 ZINC000014094084 557302402 /nfs/dbraw/zinc/30/24/02/557302402.db2.gz RBBGTTLHGKNVDU-MRXNPFEDSA-N 0 0 438.622 5.692 50 0 IKAARN Cc1sc2nc(C)nc(SCC(=O)c3ccc(CNC(=O)C(C)(C)C)s3)c2c1C ZINC000014094551 557302673 /nfs/dbraw/zinc/30/26/73/557302673.db2.gz FKALKYBXOBDIHC-UHFFFAOYSA-N 0 0 447.651 5.315 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101836277 557302721 /nfs/dbraw/zinc/30/27/21/557302721.db2.gz PNQCJZLDHRQYLW-IBGZPJMESA-N 0 0 425.895 5.111 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(F)cc4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836369 557302900 /nfs/dbraw/zinc/30/29/00/557302900.db2.gz QYJBHQVQXIJSJF-QFIPXVFZSA-N 0 0 443.457 5.173 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(C)c4)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836409 557302974 /nfs/dbraw/zinc/30/29/74/557302974.db2.gz UEDXJCMYLYKDFQ-HSZRJFAPSA-N 0 0 439.494 5.342 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 ZINC000102486238 557303036 /nfs/dbraw/zinc/30/30/36/557303036.db2.gz AZJDBVZMSCDYJU-XHCCPWGMSA-N 0 0 426.516 6.333 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 ZINC000102486234 557303069 /nfs/dbraw/zinc/30/30/69/557303069.db2.gz AZJDBVZMSCDYJU-UZTOHYMASA-N 0 0 426.516 6.333 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1ccccc1F ZINC000101836635 557303286 /nfs/dbraw/zinc/30/32/86/557303286.db2.gz QHGKKIRLWZKVKG-OAQYLSRUSA-N 0 0 445.885 5.379 50 0 IKAARN O=S(=O)(c1ccccc1Cl)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000023325334 557303546 /nfs/dbraw/zinc/30/35/46/557303546.db2.gz AOYPCSHPHZUUGT-UHFFFAOYSA-N 0 0 440.008 6.041 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000101856728 557303791 /nfs/dbraw/zinc/30/37/91/557303791.db2.gz BXJCXZMOSTVYCF-VWLOTQADSA-N 0 0 445.006 6.637 50 0 IKAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)cc1C ZINC000101880481 557304654 /nfs/dbraw/zinc/30/46/54/557304654.db2.gz KLQWIHFBBWLUSP-UHFFFAOYSA-N 0 0 446.938 5.156 50 0 IKAARN CCc1cccc(C)c1NC(=O)CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O ZINC000101880833 557304968 /nfs/dbraw/zinc/30/49/68/557304968.db2.gz JJVXWXAPFGUTIZ-UHFFFAOYSA-N 0 0 446.938 5.102 50 0 IKAARN CCCCc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(F)cc3)CC2=O)cc1 ZINC000101881160 557305187 /nfs/dbraw/zinc/30/51/87/557305187.db2.gz LXVIFMVRXIJAFE-UHFFFAOYSA-N 0 0 444.510 5.060 50 0 IKAARN COc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCC(C(C)(C)C)CC2)cc1 ZINC000101892796 557305873 /nfs/dbraw/zinc/30/58/73/557305873.db2.gz FCVLDYMVOUTRPM-UHFFFAOYSA-N 0 0 430.552 5.296 50 0 IKAARN O=C(NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1cc(F)cc(C(F)(F)F)c1 ZINC000023325678 557306240 /nfs/dbraw/zinc/30/62/40/557306240.db2.gz OSSIYMWVBCFIAN-FQEVSTJZSA-N 0 0 431.385 5.370 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cnn2c1N=C(c1ccccc1)C[C@H]2c1ccccc1 ZINC000101968895 557306705 /nfs/dbraw/zinc/30/67/05/557306705.db2.gz IYAGYYQRWFBHDH-QHCPKHFHSA-N 0 0 426.907 5.845 50 0 IKAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014118700 557307554 /nfs/dbraw/zinc/30/75/54/557307554.db2.gz NUABPMMIXJNXIZ-MRXNPFEDSA-N 0 0 432.570 5.609 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCCC1=N2 ZINC000101945801 557307803 /nfs/dbraw/zinc/30/78/03/557307803.db2.gz YYSYEJMPNMPNPP-KRWDZBQOSA-N 0 0 429.442 5.180 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCCC1=N2 ZINC000101946320 557308067 /nfs/dbraw/zinc/30/80/67/557308067.db2.gz CIQHOIKNBCIXLH-OAHLLOKOSA-N 0 0 429.442 5.180 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)N[C@@H]1CCc3ccccc31)C(=O)CC(c1cccs1)=N2 ZINC000101947660 557308291 /nfs/dbraw/zinc/30/82/91/557308291.db2.gz XIVLOYZWPHNEAV-HXUWFJFHSA-N 0 0 443.572 5.026 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)c(F)c1)C(=O)CC(c1cccs1)=N2 ZINC000101947975 557308595 /nfs/dbraw/zinc/30/85/95/557308595.db2.gz JFXRSAJGVCJKFV-UHFFFAOYSA-N 0 0 439.487 5.139 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O ZINC000101947902 557308611 /nfs/dbraw/zinc/30/86/11/557308611.db2.gz KLQMKBJIEPAINI-UHFFFAOYSA-N 0 0 431.561 5.478 50 0 IKAARN CCN(C(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O)c1ccccc1 ZINC000101947862 557308630 /nfs/dbraw/zinc/30/86/30/557308630.db2.gz XNTVISAXTLGCLO-UHFFFAOYSA-N 0 0 431.561 5.276 50 0 IKAARN Cc1cc(C)cc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101948074 557308652 /nfs/dbraw/zinc/30/86/52/557308652.db2.gz HYLMWYSEDXQASR-UHFFFAOYSA-N 0 0 431.561 5.478 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc3c(c1)CCC3)C(=O)CC(c1cccs1)=N2 ZINC000101947736 557308673 /nfs/dbraw/zinc/30/86/73/557308673.db2.gz CLQZIARUXHFWCC-UHFFFAOYSA-N 0 0 443.572 5.350 50 0 IKAARN Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000014139015 557309209 /nfs/dbraw/zinc/30/92/09/557309209.db2.gz CGKOLDCDVVXQNP-UHFFFAOYSA-N 0 0 442.437 5.308 50 0 IKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000101998951 557311424 /nfs/dbraw/zinc/31/14/24/557311424.db2.gz MVWPTZPDKAOHEF-RUZDIDTESA-N 0 0 436.983 7.179 50 0 IKAARN COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1OC ZINC000014163863 557312127 /nfs/dbraw/zinc/31/21/27/557312127.db2.gz YGSKFWIAJWJMKJ-QGZVFWFLSA-N 0 0 447.922 5.288 50 0 IKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000071863757 557312369 /nfs/dbraw/zinc/31/23/69/557312369.db2.gz MUYPLXQQQXSDPT-HXUWFJFHSA-N 0 0 441.959 5.320 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000220969498 557312735 /nfs/dbraw/zinc/31/27/35/557312735.db2.gz BZLCOHHGMWYZEC-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)NCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 ZINC000220960008 557312815 /nfs/dbraw/zinc/31/28/15/557312815.db2.gz UUVGAUIOVNVFGE-UHFFFAOYSA-N 0 0 442.588 5.214 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cccnc2Sc2ccccc2)c1)c1ccncc1 ZINC000032451815 557313345 /nfs/dbraw/zinc/31/33/45/557313345.db2.gz VKMWWQRRQSQEIZ-UHFFFAOYSA-N 0 0 426.501 5.132 50 0 IKAARN CCc1ccc(C2=Nc3c(C(=O)Nc4cccc(C)c4)cnn3[C@@H](c3ccccc3)C2)cc1 ZINC000102133333 557313334 /nfs/dbraw/zinc/31/33/34/557313334.db2.gz DQRFULYKCXWKSG-AREMUKBSSA-N 0 0 434.543 6.062 50 0 IKAARN COc1cc(C(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc(OC)c1OC ZINC000023327334 557313447 /nfs/dbraw/zinc/31/34/47/557313447.db2.gz MVQHKZVQIIEZQU-UHFFFAOYSA-N 0 0 445.559 5.474 50 0 IKAARN COc1cccc(C2=Nc3c(C(=O)Nc4ccc(C)cc4)cnn3[C@H](c3ccccc3)C2)c1 ZINC000102133425 557313379 /nfs/dbraw/zinc/31/33/79/557313379.db2.gz DGMUNGAWIOBVLG-VWLOTQADSA-N 0 0 436.515 5.508 50 0 IKAARN Cc1c2ccccc2oc1C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000014171196 557313457 /nfs/dbraw/zinc/31/34/57/557313457.db2.gz RXNXNKZDGADENB-UHFFFAOYSA-N 0 0 430.632 6.011 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)[C@H]1C ZINC000102207409 557314023 /nfs/dbraw/zinc/31/40/23/557314023.db2.gz SOJJWOFKQNSRPW-WWMYMODYSA-N 0 0 429.944 5.017 50 0 IKAARN FC(F)(F)[C@@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@@H]2SC3=C(CCCC3)N21 ZINC000102197085 557314615 /nfs/dbraw/zinc/31/46/15/557314615.db2.gz LPNUZJDVGVVRFO-SFTDATJTSA-N 0 0 430.499 5.591 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nnc(-c3ccccc3)o2)s1 ZINC000032747604 557314740 /nfs/dbraw/zinc/31/47/40/557314740.db2.gz GXBHOYFDSXRWIU-UHFFFAOYSA-N 0 0 431.561 5.311 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000102201177 557314929 /nfs/dbraw/zinc/31/49/29/557314929.db2.gz URBQBIMUIHERAZ-UHFFFAOYSA-N 0 0 445.441 6.200 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000102201348 557314950 /nfs/dbraw/zinc/31/49/50/557314950.db2.gz IPXKBYZRSSAAOO-UHFFFAOYSA-N 0 0 431.414 5.810 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C ZINC000102222960 557315886 /nfs/dbraw/zinc/31/58/86/557315886.db2.gz ZHORDEJFMUGINL-CTIGNXTNSA-N 0 0 437.580 6.208 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000032777442 557315927 /nfs/dbraw/zinc/31/59/27/557315927.db2.gz JZVGXWKTFZLLIK-UHFFFAOYSA-N 0 0 427.334 5.282 50 0 IKAARN O=C(/C=C/c1ccc(Br)o1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900604 557317047 /nfs/dbraw/zinc/31/70/47/557317047.db2.gz JAIMHFAHCYPIFC-ZRDIBKRKSA-N 0 0 426.270 5.338 50 0 IKAARN Cc1cccc(OCCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1C ZINC000011667328 557318247 /nfs/dbraw/zinc/31/82/47/557318247.db2.gz VBFIRBSJRPFDNZ-HXUWFJFHSA-N 0 0 431.536 5.596 50 0 IKAARN Cc1ccc(C)c(OCCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1 ZINC000011667335 557318272 /nfs/dbraw/zinc/31/82/72/557318272.db2.gz NRFUNDHFFCNKGP-HXUWFJFHSA-N 0 0 431.536 5.596 50 0 IKAARN Cc1cc(C)cc(OCCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1 ZINC000011667355 557318482 /nfs/dbraw/zinc/31/84/82/557318482.db2.gz NXSLIWNMJNSIRQ-FQEVSTJZSA-N 0 0 431.536 5.596 50 0 IKAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000011667367 557318523 /nfs/dbraw/zinc/31/85/23/557318523.db2.gz PTOJDEXXHJQTNZ-KRWDZBQOSA-N 0 0 437.927 5.633 50 0 IKAARN O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1C(F)(F)F ZINC000032943015 557318873 /nfs/dbraw/zinc/31/88/73/557318873.db2.gz WTFUNQMDNHKKEF-UHFFFAOYSA-N 0 0 427.835 5.281 50 0 IKAARN O=C(c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2)N1CCC(Cc2ccccc2)CC1 ZINC000032984056 557319988 /nfs/dbraw/zinc/31/99/88/557319988.db2.gz WMVJRUIOZSPXPL-ITYLOYPMSA-N 0 0 438.527 5.154 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000032975201 557320018 /nfs/dbraw/zinc/32/00/18/557320018.db2.gz ZSQZIRJQSSYUPS-UHFFFAOYSA-N 0 0 435.286 5.594 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4cccc(C)c4)n(C)c(=O)c3sc2=S)cc1 ZINC000032952658 557320288 /nfs/dbraw/zinc/32/02/88/557320288.db2.gz OQEKMOSDJNFMPP-UHFFFAOYSA-N 0 0 425.604 5.424 50 0 IKAARN COc1cc(NC(=O)Nc2cccc(F)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008678 557320658 /nfs/dbraw/zinc/32/06/58/557320658.db2.gz XOJLVHTXJWVNML-UHFFFAOYSA-N 0 0 436.468 5.340 50 0 IKAARN COc1ccccc1CNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035719 557322516 /nfs/dbraw/zinc/32/25/16/557322516.db2.gz ZPIOCLJSEUUXCX-HSZRJFAPSA-N 0 0 443.547 5.037 50 0 IKAARN Cc1cc(C)c(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c(C)c1 ZINC000033088389 557322546 /nfs/dbraw/zinc/32/25/46/557322546.db2.gz NSQGNFLPCJZDIR-UHFFFAOYSA-N 0 0 443.404 5.127 50 0 IKAARN C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(F)c(F)c1 ZINC000033040117 557322870 /nfs/dbraw/zinc/32/28/70/557322870.db2.gz UHOOHSNFBDDDEP-NSHDSACASA-N 0 0 431.895 5.434 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Cl)c(Cl)c1 ZINC000013424539 557323123 /nfs/dbraw/zinc/32/31/23/557323123.db2.gz IYAISIXXQHKNIN-OAQYLSRUSA-N 0 0 431.750 7.011 50 0 IKAARN CCOC(=O)C[C@H](NC(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccccc1 ZINC000033123964 557324698 /nfs/dbraw/zinc/32/46/98/557324698.db2.gz BTBQBOZPRIDYDB-DEOSSOPVSA-N 0 0 445.494 5.790 50 0 IKAARN CCOc1ccc(C[N@@H+](Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)CC(C)C)cc1 ZINC000033126309 557324727 /nfs/dbraw/zinc/32/47/27/557324727.db2.gz JNPWVQOAKJIGJH-UHFFFAOYSA-N 0 0 444.579 5.055 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(Br)ccc1Cl ZINC000011667661 557325146 /nfs/dbraw/zinc/32/51/46/557325146.db2.gz NCQREEFCEPMARK-UHFFFAOYSA-N 0 0 440.775 5.499 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3ccc(Oc4ccc(F)cc4)nn3)cc2)cc(OC)c1 ZINC000033130942 557325194 /nfs/dbraw/zinc/32/51/94/557325194.db2.gz GRSIRNZJRNQRLH-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN O=C(NCc1ccccc1)c1ccc(Oc2nccnc2Sc2ccc(F)cc2)cc1 ZINC000033139920 557325749 /nfs/dbraw/zinc/32/57/49/557325749.db2.gz UNRUVVOZLGJIBQ-UHFFFAOYSA-N 0 0 431.492 5.489 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cccc(C)c4C)C3)s2)cc1 ZINC000033113288 557325978 /nfs/dbraw/zinc/32/59/78/557325978.db2.gz GLCNCJKPYOHOGZ-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)cc1 ZINC000033106272 557326021 /nfs/dbraw/zinc/32/60/21/557326021.db2.gz DWPQPLFUTFMGBY-UHFFFAOYSA-N 0 0 439.515 5.189 50 0 IKAARN O=C(CCSc1nc2ccccc2s1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014230541 557326423 /nfs/dbraw/zinc/32/64/23/557326423.db2.gz PLVLBZYJZPNGAI-UHFFFAOYSA-N 0 0 449.605 5.402 50 0 IKAARN Cc1cc2c(ccnc2N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)s1 ZINC000033171975 557326702 /nfs/dbraw/zinc/32/67/02/557326702.db2.gz RPCVYJFEKARJIT-UHFFFAOYSA-N 0 0 433.621 5.302 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000033153878 557327641 /nfs/dbraw/zinc/32/76/41/557327641.db2.gz HBLMMRNQUKJBLS-UCQKPKSFSA-N 0 0 432.907 5.320 50 0 IKAARN CCOP(=O)(OCC)[C@@H](Nc1cccc(CC)c1)c1cc(Cl)cc(Cl)c1OC ZINC000033155114 557327925 /nfs/dbraw/zinc/32/79/25/557327925.db2.gz DXURMGRZJQMJQQ-HXUWFJFHSA-N 0 0 446.311 6.941 50 0 IKAARN CCOc1ccccc1-c1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)on1 ZINC000033267244 557328188 /nfs/dbraw/zinc/32/81/88/557328188.db2.gz LAEZTOKVTKZBGJ-UHFFFAOYSA-N 0 0 436.471 5.603 50 0 IKAARN C/C=C/c1ccc(OCC(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c(OC)c1 ZINC000014240253 557328787 /nfs/dbraw/zinc/32/87/87/557328787.db2.gz DXGMBOQZQXGAQA-YCRREMRBSA-N 0 0 431.492 5.390 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000033255296 557329443 /nfs/dbraw/zinc/32/94/43/557329443.db2.gz IQXHCPQFHPCEEF-UHFFFAOYSA-N 0 0 431.323 5.763 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000102481048 557330516 /nfs/dbraw/zinc/33/05/16/557330516.db2.gz CUXOBOVWMVSPFU-WTYVLRPYSA-N 0 0 440.518 6.786 50 0 IKAARN CCOc1ccc(Nc2nc(-c3nnn(-c4ccc(F)c(Cl)c4)c3C)ns2)cc1 ZINC000033302100 557331257 /nfs/dbraw/zinc/33/12/57/557331257.db2.gz QIZJVCWAMYWGGQ-UHFFFAOYSA-N 0 0 430.896 5.029 50 0 IKAARN CC1=CC(C)(C)N(C(=O)/C=C/c2ccco2)c2ccc(OC(=O)/C=C\c3ccco3)cc21 ZINC000033335883 557333777 /nfs/dbraw/zinc/33/37/77/557333777.db2.gz IDYDTONCIAPYDQ-FMYPVGJQSA-N 0 0 429.472 5.733 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000033349287 557334102 /nfs/dbraw/zinc/33/41/02/557334102.db2.gz BMEZXIZUIMZICR-OEAKJJBVSA-N 0 0 449.503 5.650 50 0 IKAARN COC(=O)C(/C=C(/C(=O)OC)c1cc2ccccc2s1)=C\c1cc2ccccc2s1 ZINC000033349545 557334166 /nfs/dbraw/zinc/33/41/66/557334166.db2.gz YIUGOSGTVDHKDU-YLRSGACBSA-N 0 0 434.538 5.929 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)/C=C\c1ccc(C)cc1 ZINC000033409004 557335056 /nfs/dbraw/zinc/33/50/56/557335056.db2.gz SRIIAPDOBHCPLD-PFONDFGASA-N 0 0 448.544 5.446 50 0 IKAARN Cc1cc(C)cc(NC(=O)CN(CC(=O)Nc2cc(C)cc(C)c2)C2CCCCCCC2)c1 ZINC000014358752 557335960 /nfs/dbraw/zinc/33/59/60/557335960.db2.gz RPAOPMNKEXEPQU-UHFFFAOYSA-N 0 0 449.639 5.912 50 0 IKAARN O=c1nc(C(Cl)=Cc2ccc(Br)cc2)[nH]c2scc(-c3cccs3)c21 ZINC000033480278 557335984 /nfs/dbraw/zinc/33/59/84/557335984.db2.gz BLDRURCLUSZMEJ-MDWZMJQESA-N 0 0 449.782 6.625 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1C ZINC000014358756 557336084 /nfs/dbraw/zinc/33/60/84/557336084.db2.gz SEJMVYIJIKWUAZ-UHFFFAOYSA-N 0 0 428.627 5.076 50 0 IKAARN Cc1cccc(C(=O)N[C@@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)c1 ZINC000000836723 557336299 /nfs/dbraw/zinc/33/62/99/557336299.db2.gz IPJIOHRDGNBNFO-KRWDZBQOSA-N 0 0 444.815 5.025 50 0 IKAARN Cc1cc(NC(=O)c2cccc(F)c2)n(-c2nc3ccccc3n2Cc2ccc(F)cc2)n1 ZINC000014360453 557336338 /nfs/dbraw/zinc/33/63/38/557336338.db2.gz QESNLVRLTIZVGY-UHFFFAOYSA-N 0 0 443.457 5.109 50 0 IKAARN O=C(N1CCC(c2nc(-c3ccccc3)no2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000023328826 557338376 /nfs/dbraw/zinc/33/83/76/557338376.db2.gz WIWOCNCWYDDCLI-UHFFFAOYSA-N 0 0 435.955 5.608 50 0 IKAARN N=C1NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)S1 ZINC000033411693 557338631 /nfs/dbraw/zinc/33/86/31/557338631.db2.gz GJKUYVHMIIIMBU-YBFXNURJSA-N 0 0 439.334 5.320 50 0 IKAARN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)C1 ZINC000023329126 557338646 /nfs/dbraw/zinc/33/86/46/557338646.db2.gz SAQGPESMQQPNJU-FQEVSTJZSA-N 0 0 428.580 5.606 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)C1 ZINC000023329122 557338667 /nfs/dbraw/zinc/33/86/67/557338667.db2.gz SAQGPESMQQPNJU-HXUWFJFHSA-N 0 0 428.580 5.606 50 0 IKAARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 ZINC000023329958 557339909 /nfs/dbraw/zinc/33/99/09/557339909.db2.gz IZJGNJUZUMROJS-LJQANCHMSA-N 0 0 447.579 5.098 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCC(C(F)(F)F)CC2)cc1Cl ZINC000263639891 557340302 /nfs/dbraw/zinc/34/03/02/557340302.db2.gz NHTIKINVPMSKIS-UHFFFAOYSA-N 0 0 431.285 5.702 50 0 IKAARN FC(F)(F)c1cnc(SCCCCc2nnc(-c3ccc(Cl)cc3)o2)c(Cl)c1 ZINC000263640138 557340309 /nfs/dbraw/zinc/34/03/09/557340309.db2.gz ZAKDWWADHSQIJS-UHFFFAOYSA-N 0 0 448.297 6.572 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(C)c(F)c1 ZINC000023330081 557340861 /nfs/dbraw/zinc/34/08/61/557340861.db2.gz AVWHBHCFXBYXLW-UHFFFAOYSA-N 0 0 430.545 5.379 50 0 IKAARN CCc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)c(C)c2)CC1=O ZINC000102529997 557341258 /nfs/dbraw/zinc/34/12/58/557341258.db2.gz KIXGOZPVEUMZBV-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(F)c3)C(=O)C2)cc1C ZINC000102530059 557341483 /nfs/dbraw/zinc/34/14/83/557341483.db2.gz DQQJVVQCIUOGKQ-UHFFFAOYSA-N 0 0 433.458 5.078 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)cc1C ZINC000102530100 557341569 /nfs/dbraw/zinc/34/15/69/557341569.db2.gz PDYCCZFSRLELNG-UHFFFAOYSA-N 0 0 445.950 5.761 50 0 IKAARN CCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1cccs1 ZINC000033659327 557341810 /nfs/dbraw/zinc/34/18/10/557341810.db2.gz ZVSSQVYFEVCBFH-UHFFFAOYSA-N 0 0 444.597 5.338 50 0 IKAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(CC)cc3)CC2=O)cc1 ZINC000102530710 557342767 /nfs/dbraw/zinc/34/27/67/557342767.db2.gz AJGJHHGQFVBRBO-UHFFFAOYSA-N 0 0 425.532 5.308 50 0 IKAARN CCOc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000102530597 557342773 /nfs/dbraw/zinc/34/27/73/557342773.db2.gz YZMVTFKIUBIGCV-UHFFFAOYSA-N 0 0 447.922 5.235 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C(=O)C2)cc1 ZINC000102530686 557342814 /nfs/dbraw/zinc/34/28/14/557342814.db2.gz MSUZYCDQUKZCFA-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(SC)c3)C(=O)C2)cc1 ZINC000102530851 557342828 /nfs/dbraw/zinc/34/28/28/557342828.db2.gz QOXVSYCDHGSJLE-UHFFFAOYSA-N 0 0 443.572 5.467 50 0 IKAARN CCOc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(CC)cc3)CC2=O)cc1 ZINC000102530782 557342843 /nfs/dbraw/zinc/34/28/43/557342843.db2.gz POLHYOUANVNVDD-UHFFFAOYSA-N 0 0 441.531 5.144 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2)cc1 ZINC000102530855 557342903 /nfs/dbraw/zinc/34/29/03/557342903.db2.gz QVRHJAODXWHVRT-UHFFFAOYSA-N 0 0 449.913 5.538 50 0 IKAARN CCc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)c1 ZINC000102531041 557343143 /nfs/dbraw/zinc/34/31/43/557343143.db2.gz FRDQDUQXAZGWFR-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)c(C)c1 ZINC000102531177 557343393 /nfs/dbraw/zinc/34/33/93/557343393.db2.gz COZCGZJPTHHEID-UHFFFAOYSA-N 0 0 445.950 5.131 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)cc2)cc1 ZINC000023331804 557343914 /nfs/dbraw/zinc/34/39/14/557343914.db2.gz LARFZMQYMAEDRH-SQJMNOBHSA-N 0 0 443.635 6.827 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cc(F)ccc1C ZINC000023331178 557344174 /nfs/dbraw/zinc/34/41/74/557344174.db2.gz QKEKVSMVUDHGJI-UHFFFAOYSA-N 0 0 430.545 5.379 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)C1 ZINC000023331419 557344189 /nfs/dbraw/zinc/34/41/89/557344189.db2.gz WRILRQKKWQEZBK-HZPDHXFCSA-N 0 0 427.470 5.881 50 0 IKAARN COc1ccccc1C(O)(CCCCCNC(=O)OC(C)(C)C)c1ccccc1OC ZINC000072233857 557344226 /nfs/dbraw/zinc/34/42/26/557344226.db2.gz OSSMRMFCRKOONY-UHFFFAOYSA-N 0 0 429.557 5.025 50 0 IKAARN CCCn1cc(C2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c2ccccc21 ZINC000023331263 557344230 /nfs/dbraw/zinc/34/42/30/557344230.db2.gz AJJWIVWWNMWDMX-UHFFFAOYSA-N 0 0 449.809 7.031 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)c(C)c1Cc1ccccc1 ZINC000014608880 557344773 /nfs/dbraw/zinc/34/47/73/557344773.db2.gz QLDMUYHZMNONNO-UHFFFAOYSA-N 0 0 436.968 5.751 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)c(C)c1Cc1ccccc1 ZINC000014608881 557344887 /nfs/dbraw/zinc/34/48/87/557344887.db2.gz XTXOUPLHFJGPEN-UHFFFAOYSA-N 0 0 430.577 5.714 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3F)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609321 557345086 /nfs/dbraw/zinc/34/50/86/557345086.db2.gz RDOHOBBZMYYJOI-UHFFFAOYSA-N 0 0 434.540 5.165 50 0 IKAARN O=C(COc1ccc2ccccc2c1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 ZINC000014610704 557345158 /nfs/dbraw/zinc/34/51/58/557345158.db2.gz DBTSPLQEJKTFHJ-UHFFFAOYSA-N 0 0 442.450 5.162 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3C)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609342 557345188 /nfs/dbraw/zinc/34/51/88/557345188.db2.gz OUACSJRKUHRDRA-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023332573 557345343 /nfs/dbraw/zinc/34/53/43/557345343.db2.gz BEOMPTWYKUDUGU-UHFFFAOYSA-N 0 0 443.971 5.790 50 0 IKAARN COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000102536410 557345456 /nfs/dbraw/zinc/34/54/56/557345456.db2.gz YCRKYTQXBNKZAK-QHCPKHFHSA-N 0 0 436.552 6.201 50 0 IKAARN CCCN(CCOC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023332709 557346065 /nfs/dbraw/zinc/34/60/65/557346065.db2.gz LXTYRUOLQQBAFR-UHFFFAOYSA-N 0 0 446.595 5.233 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CC(C)C)c1 ZINC000023332804 557346277 /nfs/dbraw/zinc/34/62/77/557346277.db2.gz WLJHWFVQNSBVAL-IBGZPJMESA-N 0 0 437.588 5.375 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000023333028 557346669 /nfs/dbraw/zinc/34/66/69/557346669.db2.gz AKSVVYYSNWJEKC-DEOSSOPVSA-N 0 0 439.386 5.849 50 0 IKAARN O=C(Nc1cc(F)cc(F)c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023334136 557347982 /nfs/dbraw/zinc/34/79/82/557347982.db2.gz UEXKSDDVBCGJEM-UHFFFAOYSA-N 0 0 443.444 5.182 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1F)n2CCCOC(C)C ZINC000023335566 557348240 /nfs/dbraw/zinc/34/82/40/557348240.db2.gz LDCOWCWQTFGIIA-UHFFFAOYSA-N 0 0 448.535 5.599 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000023335738 557348280 /nfs/dbraw/zinc/34/82/80/557348280.db2.gz LBLHTMLEHIXPEU-BBTUJRGHSA-N 0 0 433.552 5.111 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000023335736 557348289 /nfs/dbraw/zinc/34/82/89/557348289.db2.gz LBLHTMLEHIXPEU-LVCYWYKZSA-N 0 0 433.552 5.111 50 0 IKAARN CCCCCC(=O)Nc1cc(-c2ccc(OC)cc2)nn1-c1cc(Cl)ccc1Cl ZINC000023336024 557348558 /nfs/dbraw/zinc/34/85/58/557348558.db2.gz BNECTYIPXIIOMM-UHFFFAOYSA-N 0 0 432.351 6.374 50 0 IKAARN O=C(c1cc(F)c(F)cc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023335920 557348564 /nfs/dbraw/zinc/34/85/64/557348564.db2.gz MNEFDBOETSFUCS-QHCPKHFHSA-N 0 0 444.884 5.305 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccc(F)c1 ZINC000102509375 557349288 /nfs/dbraw/zinc/34/92/88/557349288.db2.gz TUFKYZNHNOFOGI-HXUWFJFHSA-N 0 0 432.417 6.181 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000023334565 557349379 /nfs/dbraw/zinc/34/93/79/557349379.db2.gz GSODQQMOAIWYFE-LJQANCHMSA-N 0 0 430.548 6.342 50 0 IKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000023334626 557349453 /nfs/dbraw/zinc/34/94/53/557349453.db2.gz DSCHUBRRQAICRJ-PMACEKPBSA-N 0 0 444.453 5.537 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000023334581 557349465 /nfs/dbraw/zinc/34/94/65/557349465.db2.gz LKZZTISAMYFGRG-DEOSSOPVSA-N 0 0 439.386 5.849 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000023334582 557349474 /nfs/dbraw/zinc/34/94/74/557349474.db2.gz LKZZTISAMYFGRG-XMMPIXPASA-N 0 0 439.386 5.849 50 0 IKAARN Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)c2c1 ZINC000023334439 557349489 /nfs/dbraw/zinc/34/94/89/557349489.db2.gz OVMORBZPRVGQQR-UHFFFAOYSA-N 0 0 437.392 5.660 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccc(Br)cc2)nnc1-c1cccnc1 ZINC000033705400 557349611 /nfs/dbraw/zinc/34/96/11/557349611.db2.gz JYQZYBJMSSJJHE-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN O=C(Cc1cccs1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023334938 557349697 /nfs/dbraw/zinc/34/96/97/557349697.db2.gz OEXWYDLDQVABNZ-UHFFFAOYSA-N 0 0 445.415 5.531 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)c1 ZINC000023334777 557349781 /nfs/dbraw/zinc/34/97/81/557349781.db2.gz GLEWSZLBHICJBW-SFHVURJKSA-N 0 0 437.588 5.474 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(F)cc(F)c1)n2CCCOC(C)C ZINC000023335192 557349951 /nfs/dbraw/zinc/34/99/51/557349951.db2.gz IZHHSLCXIUOPIU-UHFFFAOYSA-N 0 0 448.535 5.599 50 0 IKAARN C[C@H](NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1)C(C)(C)C ZINC000023335018 557350023 /nfs/dbraw/zinc/35/00/23/557350023.db2.gz SQSGTYAFKUKSQN-HNNXBMFYSA-N 0 0 431.458 5.602 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023335361 557350341 /nfs/dbraw/zinc/35/03/41/557350341.db2.gz GVLPODQZTUSFCB-MRXNPFEDSA-N 0 0 430.379 7.001 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1F)n2CCCOC(C)C ZINC000023335286 557350350 /nfs/dbraw/zinc/35/03/50/557350350.db2.gz MQFOFRQBKIPUCP-UHFFFAOYSA-N 0 0 448.535 5.599 50 0 IKAARN CCCCC(=O)Nc1c(-c2ccc(OC)cc2)cn(Cc2ccccc2)c1C(=O)OCC ZINC000023425667 557353410 /nfs/dbraw/zinc/35/34/10/557353410.db2.gz YORLOOCYFFKEPT-UHFFFAOYSA-N 0 0 434.536 5.517 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000023426941 557353655 /nfs/dbraw/zinc/35/36/55/557353655.db2.gz BBEOEDXTDODLPH-UYAOXDASSA-N 0 0 447.579 5.501 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000023426948 557353719 /nfs/dbraw/zinc/35/37/19/557353719.db2.gz BBEOEDXTDODLPH-AZUAARDMSA-N 0 0 447.579 5.501 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)N[C@H](C)C(C)C)cc2)n1 ZINC000023426857 557353725 /nfs/dbraw/zinc/35/37/25/557353725.db2.gz FRRBFPTVHQAWEY-MRXNPFEDSA-N 0 0 439.943 5.144 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N(C)CC(C)C)cc2)n1 ZINC000023428005 557353971 /nfs/dbraw/zinc/35/39/71/557353971.db2.gz XWSYRWJRCAQQPK-UHFFFAOYSA-N 0 0 433.552 5.061 50 0 IKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000023427444 557353992 /nfs/dbraw/zinc/35/39/92/557353992.db2.gz CLYQUXDWCXWEAH-UHFFFAOYSA-N 0 0 435.421 5.589 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023435096 557354000 /nfs/dbraw/zinc/35/40/00/557354000.db2.gz MZCUFVVAJIPLJU-QHCPKHFHSA-N 0 0 434.923 5.696 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc3cc(C)c(C)cc3nc2-c2ccccc2)CC1 ZINC000023428130 557354023 /nfs/dbraw/zinc/35/40/23/557354023.db2.gz SHLTYJQKTGSKEB-JOCHJYFZSA-N 0 0 444.623 5.779 50 0 IKAARN CCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(C)c(C)c2)cc1 ZINC000023436282 557354186 /nfs/dbraw/zinc/35/41/86/557354186.db2.gz YDNLZRCQQYZGCR-UHFFFAOYSA-N 0 0 447.579 5.595 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023436927 557354203 /nfs/dbraw/zinc/35/42/03/557354203.db2.gz SQTOSUKGZSWYMS-GOSISDBHSA-N 0 0 429.951 6.148 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1C)n2C(C)C ZINC000023437300 557354578 /nfs/dbraw/zinc/35/45/78/557354578.db2.gz CKXLXYVGOTYPAZ-UHFFFAOYSA-N 0 0 449.617 5.388 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1cccc(F)c1)CC2 ZINC000023437425 557354633 /nfs/dbraw/zinc/35/46/33/557354633.db2.gz FPDZXWKDBJQPOZ-HSZRJFAPSA-N 0 0 425.887 5.284 50 0 IKAARN CN(C(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1)C1CCCCC1 ZINC000023428503 557354818 /nfs/dbraw/zinc/35/48/18/557354818.db2.gz XDHTULYLYWCRKV-UHFFFAOYSA-N 0 0 443.469 5.843 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000023428633 557354828 /nfs/dbraw/zinc/35/48/28/557354828.db2.gz ZUUPHZTYDWRDTE-TYILLQQXSA-N 0 0 443.927 5.325 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023428762 557354866 /nfs/dbraw/zinc/35/48/66/557354866.db2.gz PXTIKBZUARBUGC-UHFFFAOYSA-N 0 0 434.942 5.125 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(CC)CC)c2)n(-c2ccc(OC)cc2)n1 ZINC000023430032 557355206 /nfs/dbraw/zinc/35/52/06/557355206.db2.gz IUJZEGTVSGIGGC-UHFFFAOYSA-N 0 0 435.524 5.099 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)CCc1ccccc1)CC2 ZINC000023429780 557355255 /nfs/dbraw/zinc/35/52/55/557355255.db2.gz UQPUKNNKXSGLGD-SANMLTNESA-N 0 0 435.951 5.464 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCCC[C@H]3C)cc2)n1 ZINC000023430823 557355372 /nfs/dbraw/zinc/35/53/72/557355372.db2.gz JCDBFSWNUBUMKC-LJQANCHMSA-N 0 0 431.536 5.039 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N(CC)Cc1ccccc1 ZINC000023430995 557355410 /nfs/dbraw/zinc/35/54/10/557355410.db2.gz DVTJBHYCRIPVQC-UHFFFAOYSA-N 0 0 429.442 5.366 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)N[C@H]4C[C@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023431084 557355453 /nfs/dbraw/zinc/35/54/53/557355453.db2.gz GNVQNFAOHPUTLT-LPHOPBHVSA-N 0 0 449.599 5.473 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000102584830 557355675 /nfs/dbraw/zinc/35/56/75/557355675.db2.gz MEOOCDYAVBRQEO-HXUWFJFHSA-N 0 0 429.476 5.157 50 0 IKAARN COc1ccc(CCn2c(=O)c3cc(Cl)ccc3nc2-c2ccc(Cl)c(F)c2)cc1 ZINC000023432976 557355701 /nfs/dbraw/zinc/35/57/01/557355701.db2.gz QALMISMEJQTSGF-UHFFFAOYSA-N 0 0 443.305 5.761 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000023433011 557355733 /nfs/dbraw/zinc/35/57/33/557355733.db2.gz KHZQBSIMTGXXPP-MHZLTWQESA-N 0 0 448.632 5.214 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCC[C@@H]5CCCC[C@H]54)c3)n2)o1 ZINC000023434340 557355940 /nfs/dbraw/zinc/35/59/40/557355940.db2.gz NQOUECJARBGBCE-YADARESESA-N 0 0 447.583 5.224 50 0 IKAARN CCCCCCN(C)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023433488 557356027 /nfs/dbraw/zinc/35/60/27/557356027.db2.gz IXQKLEUJFVYAAW-UHFFFAOYSA-N 0 0 436.552 5.580 50 0 IKAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c(C)c1 ZINC000023434043 557356059 /nfs/dbraw/zinc/35/60/59/557356059.db2.gz PXIDOGQICDHJFB-VWLOTQADSA-N 0 0 432.520 5.200 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1NCc1cccc(F)c1F ZINC000023433873 557356090 /nfs/dbraw/zinc/35/60/90/557356090.db2.gz CWKCWWBLMCVLMX-UHFFFAOYSA-N 0 0 437.368 5.229 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)c1 ZINC000023448941 557356205 /nfs/dbraw/zinc/35/62/05/557356205.db2.gz ZPKOZVVFFPSDLT-UHFFFAOYSA-N 0 0 436.342 6.289 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023448580 557356264 /nfs/dbraw/zinc/35/62/64/557356264.db2.gz XCHYPALEBHRACG-QHCPKHFHSA-N 0 0 427.935 6.205 50 0 IKAARN O=C(CCCOc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl ZINC000023449092 557356281 /nfs/dbraw/zinc/35/62/81/557356281.db2.gz IAPZRIMEURURQH-UHFFFAOYSA-N 0 0 431.923 5.990 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1c(F)cccc1F)CC2 ZINC000023448772 557356339 /nfs/dbraw/zinc/35/63/39/557356339.db2.gz CKABLFXFDNUYLY-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN O=C(NCc1ccsc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023450070 557356569 /nfs/dbraw/zinc/35/65/69/557356569.db2.gz RNTMKQSBYAECQR-UHFFFAOYSA-N 0 0 427.451 5.754 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023450121 557356575 /nfs/dbraw/zinc/35/65/75/557356575.db2.gz NLQPHUDQSIZSGK-UHFFFAOYSA-N 0 0 429.951 5.758 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)Cc1cccs1)CC2 ZINC000023450385 557356895 /nfs/dbraw/zinc/35/68/95/557356895.db2.gz RHBHJMZPJQUKAF-QHCPKHFHSA-N 0 0 445.943 5.275 50 0 IKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2ccccc2Br)cc1 ZINC000023451526 557357114 /nfs/dbraw/zinc/35/71/14/557357114.db2.gz FXTNQJPSTXFTGU-UHFFFAOYSA-N 0 0 446.348 5.540 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2Cc1ccco1 ZINC000023451492 557357143 /nfs/dbraw/zinc/35/71/43/557357143.db2.gz QRYFJRHIECJLFF-UHFFFAOYSA-N 0 0 426.925 5.800 50 0 IKAARN O=C(c1cccc(Cl)c1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023451527 557357153 /nfs/dbraw/zinc/35/71/53/557357153.db2.gz ZRTPPBUBJMFZGK-UHFFFAOYSA-N 0 0 429.278 6.116 50 0 IKAARN CC[C@@H](C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1)c1ccccc1 ZINC000023451351 557357158 /nfs/dbraw/zinc/35/71/58/557357158.db2.gz PGEPROWCRQMVQN-RUZDIDTESA-N 0 0 437.587 5.984 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N[C@@H](C)c1cccc(OC)c1 ZINC000023439285 557357694 /nfs/dbraw/zinc/35/76/94/557357694.db2.gz VUWKSEDSTQEELD-AWEZNQCLSA-N 0 0 445.441 5.521 50 0 IKAARN COc1cc(-c2cc(C(=O)N3CCCCCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000023440532 557357731 /nfs/dbraw/zinc/35/77/31/557357731.db2.gz PXIPSTQTFGHZPR-UHFFFAOYSA-N 0 0 434.536 5.334 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000023440607 557357741 /nfs/dbraw/zinc/35/77/41/557357741.db2.gz BGCKNCQLPTVCPL-HSZRJFAPSA-N 0 0 440.902 5.676 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)cc1 ZINC000023440408 557357746 /nfs/dbraw/zinc/35/77/46/557357746.db2.gz ARBMEGDANWZNII-UHFFFAOYSA-N 0 0 431.923 5.378 50 0 IKAARN COc1cc(-c2cc(C(=O)N[C@H](C)C3CCCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000023442378 557358316 /nfs/dbraw/zinc/35/83/16/557358316.db2.gz JEBIQYZJGJOXQP-QGZVFWFLSA-N 0 0 448.563 5.626 50 0 IKAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000023442186 557358320 /nfs/dbraw/zinc/35/83/20/557358320.db2.gz MIUWNEVECXRMHX-XMMPIXPASA-N 0 0 437.923 5.154 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1)CC2 ZINC000023441941 557358340 /nfs/dbraw/zinc/35/83/40/557358340.db2.gz GQWKYBBIQUHSMY-QHCPKHFHSA-N 0 0 425.887 5.284 50 0 IKAARN O=C(CCOc1ccccc1)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023444414 557358480 /nfs/dbraw/zinc/35/84/80/557358480.db2.gz YJJQHGAINWBBNO-UHFFFAOYSA-N 0 0 439.559 5.260 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023442903 557358578 /nfs/dbraw/zinc/35/85/78/557358578.db2.gz BOMCINWCHMEANN-RTWAWAEBSA-N 0 0 447.600 6.330 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1c(Cl)cccc1Cl)CC2 ZINC000023446238 557358934 /nfs/dbraw/zinc/35/89/34/557358934.db2.gz PZLHETQGLGIQQF-QHCPKHFHSA-N 0 0 442.342 5.799 50 0 IKAARN COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCCOc2ccccc2)cc1 ZINC000023446396 557358947 /nfs/dbraw/zinc/35/89/47/557358947.db2.gz VHWHRFIAMGBKRS-UHFFFAOYSA-N 0 0 427.504 5.346 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1c(Cl)cccc1Cl)CC2 ZINC000023446240 557358958 /nfs/dbraw/zinc/35/89/58/557358958.db2.gz PZLHETQGLGIQQF-HSZRJFAPSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000023446655 557358969 /nfs/dbraw/zinc/35/89/69/557358969.db2.gz HMIRAGDIQSAJDM-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN C[C@H](CC(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1)c1ccccc1 ZINC000023447103 557359230 /nfs/dbraw/zinc/35/92/30/557359230.db2.gz VUQQSYAVFCUHKI-JOCHJYFZSA-N 0 0 437.587 5.984 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NC[C@@H](C)c4ccccc4)c3)n2)o1 ZINC000023458187 557359493 /nfs/dbraw/zinc/35/94/93/557359493.db2.gz CSEGAAHTHVXEQF-QGZVFWFLSA-N 0 0 443.551 5.062 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023447799 557359555 /nfs/dbraw/zinc/35/95/55/557359555.db2.gz IVUINMAWSIMIKU-XMMPIXPASA-N 0 0 439.914 5.593 50 0 IKAARN COc1cccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cc(C)nc(Cl)c4)cc3)n2)c1 ZINC000023447632 557359577 /nfs/dbraw/zinc/35/95/77/557359577.db2.gz FVWLSWKZLBTDFL-UHFFFAOYSA-N 0 0 432.911 5.039 50 0 IKAARN FC(F)(F)c1ccc(-c2nc(CN(Cc3ccccc3)Cc3ccccc3)cs2)cc1 ZINC000023459029 557359674 /nfs/dbraw/zinc/35/96/74/557359674.db2.gz WIHPPFQKKOJWBF-UHFFFAOYSA-N 0 0 438.518 7.031 50 0 IKAARN COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)n2)c1 ZINC000023458377 557359769 /nfs/dbraw/zinc/35/97/69/557359769.db2.gz BZHBFESGAFJBBX-UHFFFAOYSA-N 0 0 442.490 5.753 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023459486 557360065 /nfs/dbraw/zinc/36/00/65/557360065.db2.gz SCZYGVZEYIQTNP-UHFFFAOYSA-N 0 0 426.472 5.377 50 0 IKAARN Cc1ccc(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)n(-c3ccccc3)n2)cc1 ZINC000023459705 557360094 /nfs/dbraw/zinc/36/00/94/557360094.db2.gz FEDVYILKDZSUIG-UHFFFAOYSA-N 0 0 437.421 5.999 50 0 IKAARN Cc1c2ccccc2oc1C(=O)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023459076 557360105 /nfs/dbraw/zinc/36/01/05/557360105.db2.gz BNCWJFAVHMFCBU-UHFFFAOYSA-N 0 0 436.555 5.387 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cccnc2)n1 ZINC000102625312 557360146 /nfs/dbraw/zinc/36/01/46/557360146.db2.gz DATGARPAGHMVFF-HOYKHHGWSA-N 0 0 440.503 5.219 50 0 IKAARN CN(Cc1cccc2ccccc21)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023459538 557360142 /nfs/dbraw/zinc/36/01/42/557360142.db2.gz YMWAMHHFEOMOCV-UHFFFAOYSA-N 0 0 439.624 7.888 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1-c1ccc(C)cc1 ZINC000023459789 557360189 /nfs/dbraw/zinc/36/01/89/557360189.db2.gz VAMIFNFDKKKQBY-UHFFFAOYSA-N 0 0 430.523 6.645 50 0 IKAARN CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C(=O)NC(C)C)cc2)n1 ZINC000023460137 557360290 /nfs/dbraw/zinc/36/02/90/557360290.db2.gz GBXIRKSIOIOXAJ-UHFFFAOYSA-N 0 0 427.504 5.007 50 0 IKAARN O=C(Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1)c1ccccc1F ZINC000023460406 557360418 /nfs/dbraw/zinc/36/04/18/557360418.db2.gz GRFLLHUJFWMDCY-UHFFFAOYSA-N 0 0 426.447 5.578 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(SC)cc1)n2Cc1ccccc1 ZINC000023461040 557360598 /nfs/dbraw/zinc/36/05/98/557360598.db2.gz RYBAAZLTRRJNAX-UHFFFAOYSA-N 0 0 448.613 6.276 50 0 IKAARN COc1ccc(-c2ccc(C(=O)NCc3cccc4ccccc43)s2)c(OC)c1OC ZINC000023461713 557360867 /nfs/dbraw/zinc/36/08/67/557360867.db2.gz JJYVUIHPKJYRPV-UHFFFAOYSA-N 0 0 433.529 5.524 50 0 IKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccccc1C(F)(F)F ZINC000023461482 557360881 /nfs/dbraw/zinc/36/08/81/557360881.db2.gz WZCLWWAYFIZQIT-UHFFFAOYSA-N 0 0 436.408 6.826 50 0 IKAARN Cc1ccc(Cl)c(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023462161 557361143 /nfs/dbraw/zinc/36/11/43/557361143.db2.gz RYMCPVUZSWWISE-UHFFFAOYSA-N 0 0 447.941 6.282 50 0 IKAARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)c1cccnc1Cl ZINC000023462507 557361180 /nfs/dbraw/zinc/36/11/80/557361180.db2.gz NCNFKDLZRLUSCH-UHFFFAOYSA-N 0 0 443.890 5.488 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCc3cc(OC)cc(OC)c3)c3ccccc3n2)cc1 ZINC000023462146 557361195 /nfs/dbraw/zinc/36/11/95/557361195.db2.gz XEXQBCZYADUOAI-UHFFFAOYSA-N 0 0 442.515 5.248 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000023461961 557361236 /nfs/dbraw/zinc/36/12/36/557361236.db2.gz SKQNPVFTCQOVFE-UHFFFAOYSA-N 0 0 440.305 6.546 50 0 IKAARN CCCc1c(C(=O)Nc2ccc(-c3onc4c3CCCC4)cc2)cnn1-c1ccccc1 ZINC000023453111 557361500 /nfs/dbraw/zinc/36/15/00/557361500.db2.gz KEBBJKWQXODHJO-UHFFFAOYSA-N 0 0 426.520 5.611 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023462526 557361538 /nfs/dbraw/zinc/36/15/38/557361538.db2.gz VPZZWNHPOGJNHB-UHFFFAOYSA-N 0 0 442.950 5.303 50 0 IKAARN O=C(NCc1cccs1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023453166 557361551 /nfs/dbraw/zinc/36/15/51/557361551.db2.gz SNAQYSNOICZAGR-UHFFFAOYSA-N 0 0 442.588 5.726 50 0 IKAARN O=C(Cc1ccc(F)cc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023453609 557361758 /nfs/dbraw/zinc/36/17/58/557361758.db2.gz SLCWBPFLXJDSNC-UHFFFAOYSA-N 0 0 431.486 5.388 50 0 IKAARN C[C@@H](C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000023453489 557361763 /nfs/dbraw/zinc/36/17/63/557361763.db2.gz JBTBJUDEVFIMPD-LJQANCHMSA-N 0 0 427.523 5.810 50 0 IKAARN COc1cccc(CC(=O)N(Cc2nc3cc(C)ccc3o2)Cc2cc(F)ccc2F)c1 ZINC000023454020 557361782 /nfs/dbraw/zinc/36/17/82/557361782.db2.gz DYRGAOXOOSREPO-UHFFFAOYSA-N 0 0 436.458 5.195 50 0 IKAARN COc1cccc(CCNC(=O)c2ccc(-c3[nH]nc4c3CCCc3ccccc3-4)cc2)c1 ZINC000023453880 557361817 /nfs/dbraw/zinc/36/18/17/557361817.db2.gz FWZIZMUKQBMJDD-UHFFFAOYSA-N 0 0 437.543 5.214 50 0 IKAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023455148 557362112 /nfs/dbraw/zinc/36/21/12/557362112.db2.gz DAQFJUQQIYURKN-UHFFFAOYSA-N 0 0 429.470 5.441 50 0 IKAARN COc1cc2nc(-c3ccc(C)o3)cc(C(=O)NCCCc3ccccc3)c2cc1OC ZINC000023454673 557362165 /nfs/dbraw/zinc/36/21/65/557362165.db2.gz YIOQRHCLMPLCBQ-UHFFFAOYSA-N 0 0 430.504 5.183 50 0 IKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccccc3Cl)nc2c1 ZINC000023454824 557362203 /nfs/dbraw/zinc/36/22/03/557362203.db2.gz SZSTXMJOJHDUFZ-UHFFFAOYSA-N 0 0 426.850 5.910 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023454689 557362206 /nfs/dbraw/zinc/36/22/06/557362206.db2.gz SZKITNIUXGBHHH-UHFFFAOYSA-N 0 0 427.569 7.258 50 0 IKAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC ZINC000102665108 557362225 /nfs/dbraw/zinc/36/22/25/557362225.db2.gz JMBQVHKBHUJOLX-QRQCRPRQSA-N 0 0 436.899 5.014 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C(C)C)cc3)C2)c(OC)c1 ZINC000102665282 557362228 /nfs/dbraw/zinc/36/22/28/557362228.db2.gz QPJUJBIYVDBKKG-BVZFJXPGSA-N 0 0 444.535 5.484 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C(C)C)cc3)C2)c(OC)c1 ZINC000102665277 557362256 /nfs/dbraw/zinc/36/22/56/557362256.db2.gz QPJUJBIYVDBKKG-CJAUYULYSA-N 0 0 444.535 5.484 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023456264 557362299 /nfs/dbraw/zinc/36/22/99/557362299.db2.gz PHGGVPZUQNSTHA-UHFFFAOYSA-N 0 0 433.914 5.973 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102665809 557362328 /nfs/dbraw/zinc/36/23/28/557362328.db2.gz WOUXPYKSHMSUPC-JLCFBVMHSA-N 0 0 436.899 5.014 50 0 IKAARN O=C(NCc1c(F)cccc1Cl)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023456207 557362399 /nfs/dbraw/zinc/36/23/99/557362399.db2.gz YELQNFQDTSUFAO-UHFFFAOYSA-N 0 0 437.923 6.930 50 0 IKAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102667105 557362648 /nfs/dbraw/zinc/36/26/48/557362648.db2.gz AGNJPSRFCATBJL-HXPMCKFVSA-N 0 0 446.379 5.640 50 0 IKAARN O=C(c1csc2ccccc12)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023457360 557362912 /nfs/dbraw/zinc/36/29/12/557362912.db2.gz UMIOVUOGLZVIFL-VWLOTQADSA-N 0 0 430.548 5.588 50 0 IKAARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102675038 557363137 /nfs/dbraw/zinc/36/31/37/557363137.db2.gz PYFVFXDWBJAACS-NYHFZMIOSA-N 0 0 436.899 5.101 50 0 IKAARN CC[C@@H](C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000023458043 557363312 /nfs/dbraw/zinc/36/33/12/557363312.db2.gz UQBTUPYAAWAJKF-XMMPIXPASA-N 0 0 441.550 6.200 50 0 IKAARN COCCN(C)C1=Nc2ccccc2Oc2ccc(NC(=O)c3ccccc3Cl)cc21 ZINC000102696935 557365103 /nfs/dbraw/zinc/36/51/03/557365103.db2.gz GMDMRTKPRMJMIX-UHFFFAOYSA-N 0 0 435.911 5.355 50 0 IKAARN CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000023529301 557365492 /nfs/dbraw/zinc/36/54/92/557365492.db2.gz VESONZRNZUSMIQ-UHFFFAOYSA-N 0 0 438.930 5.143 50 0 IKAARN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102702092 557365782 /nfs/dbraw/zinc/36/57/82/557365782.db2.gz QMJPXRTYIUZVBT-VVVCHXIZSA-N 0 0 436.340 5.233 50 0 IKAARN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000102707412 557367178 /nfs/dbraw/zinc/36/71/78/557367178.db2.gz CKHWGQAGHQQPTC-UODIDJSMSA-N 0 0 434.495 5.199 50 0 IKAARN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000102707411 557367319 /nfs/dbraw/zinc/36/73/19/557367319.db2.gz CKHWGQAGHQQPTC-KKUQBAQOSA-N 0 0 434.495 5.199 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000102676495 557368013 /nfs/dbraw/zinc/36/80/13/557368013.db2.gz ZCJKFYHNWQJUCU-VWWWFFDPSA-N 0 0 430.529 5.220 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102677576 557368085 /nfs/dbraw/zinc/36/80/85/557368085.db2.gz FSDMLDABDRJCRH-RUZDIDTESA-N 0 0 434.536 5.906 50 0 IKAARN CCOc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C ZINC000011689934 557368219 /nfs/dbraw/zinc/36/82/19/557368219.db2.gz PYVLUDAWELZGAS-UHFFFAOYSA-N 0 0 439.475 5.035 50 0 IKAARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1ccco1 ZINC000102680529 557368218 /nfs/dbraw/zinc/36/82/18/557368218.db2.gz AHAKRYMTYTYSOB-LMKMVOKYSA-N 0 0 428.488 6.004 50 0 IKAARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102678699 557368274 /nfs/dbraw/zinc/36/82/74/557368274.db2.gz YRRGIRMXBSLSSV-DFBJGRDBSA-N 0 0 444.535 5.571 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000102720324 557368717 /nfs/dbraw/zinc/36/87/17/557368717.db2.gz OCXXIVZWHUWTGY-VOIUYBSRSA-N 0 0 446.503 5.617 50 0 IKAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1OC ZINC000102723021 557369222 /nfs/dbraw/zinc/36/92/22/557369222.db2.gz UJNMUVXRJCPGME-OPAMFIHVSA-N 0 0 446.503 5.617 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N([C@H](C)CCc4ccco4)CC3=O)n2)cc1OC ZINC000102724371 557369477 /nfs/dbraw/zinc/36/94/77/557369477.db2.gz VAPAQSUREMNFPB-CQSZACIVSA-N 0 0 439.537 5.004 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N([C@H](C)CCCC(C)C)CC3=O)n2)cc1OC ZINC000102725735 557369574 /nfs/dbraw/zinc/36/95/74/557369574.db2.gz VQXANEXPLMSCRK-OAHLLOKOSA-N 0 0 429.586 5.604 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(NC4CCCCC4)s3)cs2)cc1OC ZINC000023638122 557369782 /nfs/dbraw/zinc/36/97/82/557369782.db2.gz ICJSPOWZYJXEAO-UHFFFAOYSA-N 0 0 448.639 5.716 50 0 IKAARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)c1OC ZINC000102725785 557369931 /nfs/dbraw/zinc/36/99/31/557369931.db2.gz UXSDIDRCXAHRPZ-IVZQSRNASA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)cc2)cc1OC ZINC000102728021 557370611 /nfs/dbraw/zinc/37/06/11/557370611.db2.gz CKOWHYRAUUEWKP-HJPURHCSSA-N 0 0 432.476 5.314 50 0 IKAARN CC[C@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl ZINC000050073090 557370616 /nfs/dbraw/zinc/37/06/16/557370616.db2.gz RRINXGACOWHPCW-BEFAXECRSA-N 0 0 445.412 5.405 50 0 IKAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220918088 557370737 /nfs/dbraw/zinc/37/07/37/557370737.db2.gz GYVDLEVBWPJKPH-HNNXBMFYSA-N 0 0 436.512 5.027 50 0 IKAARN COc1ccc([C@H](CNC(=O)[C@@H](CC(C)C)n2cccc2)c2c[nH]c3ccccc32)cc1 ZINC000524735690 557371196 /nfs/dbraw/zinc/37/11/96/557371196.db2.gz RODIQINRVTXUIN-JYFHCDHNSA-N 0 0 429.564 5.514 50 0 IKAARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000102731190 557371457 /nfs/dbraw/zinc/37/14/57/557371457.db2.gz PFSVTUWTNIYLCO-HTAPYJJXSA-N 0 0 430.460 5.083 50 0 IKAARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000102731584 557371472 /nfs/dbraw/zinc/37/14/72/557371472.db2.gz YWUHXCWFBDRRAC-QKKBWIMNSA-N 0 0 425.315 6.898 50 0 IKAARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000102731577 557371506 /nfs/dbraw/zinc/37/15/06/557371506.db2.gz YWUHXCWFBDRRAC-LHSJRXKWSA-N 0 0 425.315 6.898 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccco3)s1)oc1ccccc12 ZINC000023698231 557371842 /nfs/dbraw/zinc/37/18/42/557371842.db2.gz CNQRSFSSSPMGGK-UHFFFAOYSA-N 0 0 432.457 5.754 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)c1 ZINC000072332600 557371845 /nfs/dbraw/zinc/37/18/45/557371845.db2.gz DPXBDBBIJFLINC-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000102734310 557372413 /nfs/dbraw/zinc/37/24/13/557372413.db2.gz VACQXHYEZVDZLT-MBSDFSHPSA-N 0 0 444.487 5.386 50 0 IKAARN CCCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000023722141 557372527 /nfs/dbraw/zinc/37/25/27/557372527.db2.gz HCXVWXDABYLEQM-LJQANCHMSA-N 0 0 439.408 5.436 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000102717379 557375191 /nfs/dbraw/zinc/37/51/91/557375191.db2.gz LIEWMCGEEMYSGL-XPWALMASSA-N 0 0 432.907 5.008 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)cc1OC ZINC000102745799 557378125 /nfs/dbraw/zinc/37/81/25/557378125.db2.gz GJMCKONYJBLBDT-OFVILXPXSA-N 0 0 432.545 5.668 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023907545 557379111 /nfs/dbraw/zinc/37/91/11/557379111.db2.gz RWMMSIPIJAPGAL-UHFFFAOYSA-N 0 0 439.481 5.223 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000102750013 557379157 /nfs/dbraw/zinc/37/91/57/557379157.db2.gz QMPCFFAWGGZZJL-CCDWMCETSA-N 0 0 440.543 5.344 50 0 IKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033924093 557385063 /nfs/dbraw/zinc/38/50/63/557385063.db2.gz VHQXEEFTKPQEFF-MLPQPIHFSA-N 0 0 428.601 5.378 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2ccc(Cl)c(Cl)c2)c1NC(=O)Cc1ccccc1 ZINC000011691998 557385058 /nfs/dbraw/zinc/38/50/58/557385058.db2.gz OGBACUOQWFWODR-UHFFFAOYSA-N 0 0 437.326 5.694 50 0 IKAARN CCCCCc1c(C)c2cc3c(-c4ccc(Br)cc4)coc3c(C)c2oc1=O ZINC000011691915 557385386 /nfs/dbraw/zinc/38/53/86/557385386.db2.gz PXFFYQQUMIGWIN-UHFFFAOYSA-N 0 0 439.349 7.318 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3nc4ccccc4s3)c(C)s2)cc(OC)c1OC ZINC000011691874 557385402 /nfs/dbraw/zinc/38/54/02/557385402.db2.gz YJWIKDOGMKATEZ-UHFFFAOYSA-N 0 0 441.534 5.006 50 0 IKAARN Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c3c(c(=O)oc12)CCCCC3 ZINC000011692240 557388354 /nfs/dbraw/zinc/38/83/54/557388354.db2.gz FILIMECGJHPVLH-UHFFFAOYSA-N 0 0 441.321 5.395 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000102794843 557388694 /nfs/dbraw/zinc/38/86/94/557388694.db2.gz CXLDHSSULMVOMU-ZTOMLWHTSA-N 0 0 436.555 6.955 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(F)c(Br)c3)C2)cc1 ZINC000102798494 557389098 /nfs/dbraw/zinc/38/90/98/557389098.db2.gz BTDIEAFOKVERSA-JOCHJYFZSA-N 0 0 434.312 6.302 50 0 IKAARN O=Cc1cc(Br)cc(Br)c1OC(=O)/C=C/c1ccccc1Cl ZINC000011692810 557389250 /nfs/dbraw/zinc/38/92/50/557389250.db2.gz GZKWEVFGSLBFTP-AATRIKPKSA-N 0 0 444.506 5.296 50 0 IKAARN Clc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000102798672 557389481 /nfs/dbraw/zinc/38/94/81/557389481.db2.gz ZCRRYKUWKFQDHW-NRFANRHFSA-N 0 0 436.740 6.508 50 0 IKAARN N=C1S[C@H](Cc2ccccc2)C(=O)N1c1ncc(Cc2cccc3ccccc32)s1 ZINC000011692942 557389827 /nfs/dbraw/zinc/38/98/27/557389827.db2.gz QLTNIGLDLZVWSU-OAQYLSRUSA-N 0 0 429.570 5.513 50 0 IKAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102799809 557390243 /nfs/dbraw/zinc/39/02/43/557390243.db2.gz ZXISHGBBVPNQRB-MRXNPFEDSA-N 0 0 433.256 5.006 50 0 IKAARN COc1ccccc1CNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2)n1 ZINC000024023470 557391471 /nfs/dbraw/zinc/39/14/71/557391471.db2.gz NTWRJTGNDMEWKZ-UHFFFAOYSA-N 0 0 436.519 5.488 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000024023354 557391637 /nfs/dbraw/zinc/39/16/37/557391637.db2.gz JHFCDRWLYMOQIL-UHFFFAOYSA-N 0 0 429.568 5.480 50 0 IKAARN CCCn1c(SCc2nc(-c3ccc(C(C)(C)C)cc3)no2)nc2ccccc2c1=O ZINC000073679851 557395129 /nfs/dbraw/zinc/39/51/29/557395129.db2.gz TXRVSYGMFXUHBK-UHFFFAOYSA-N 0 0 434.565 5.446 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1)c1cccs1 ZINC000013940636 557397304 /nfs/dbraw/zinc/39/73/04/557397304.db2.gz WXMZBCCYNNEBBW-UHFFFAOYSA-N 0 0 435.730 5.669 50 0 IKAARN CC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000033437709 557398001 /nfs/dbraw/zinc/39/80/01/557398001.db2.gz PXOFLVJDYUOHCP-HFZDXXHNSA-N 0 0 442.578 6.574 50 0 IKAARN COc1cc2nc(SC/C=C/c3ccccc3)n(Cc3cccs3)c(=N)c2cc1OC ZINC000100310026 557398910 /nfs/dbraw/zinc/39/89/10/557398910.db2.gz RZILWURFYNYUJU-JJKNZDFBSA-N 0 0 449.601 5.448 50 0 IKAARN CCCSc1nc2cc(OC)c(OC)cc2c(=N)n1Cc1cccc(C(F)(F)F)c1 ZINC000100325552 557399976 /nfs/dbraw/zinc/39/99/76/557399976.db2.gz LTUXZTUAHODHRR-UHFFFAOYSA-N 0 0 437.487 5.102 50 0 IKAARN O=C1OC(=CNc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c2ccccc21 ZINC000100408518 557401770 /nfs/dbraw/zinc/40/17/70/557401770.db2.gz SJAJUAVIPFHTJS-WQRHYEAKSA-N 0 0 432.785 6.127 50 0 IKAARN CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004897689 557402048 /nfs/dbraw/zinc/40/20/48/557402048.db2.gz GCUNXFHHCXMPOA-XTEPFMGCSA-N 0 0 426.560 6.840 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(Cl)cc2)C(=O)N1OCc1ccc(Cl)cc1 ZINC000100400912 557402052 /nfs/dbraw/zinc/40/20/52/557402052.db2.gz NOZRTGUZUPRCLQ-BKUYFWCQSA-N 0 0 439.298 5.561 50 0 IKAARN CCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102861848 557402289 /nfs/dbraw/zinc/40/22/89/557402289.db2.gz WZOAJEIYWQFXPT-HHHXNRCGSA-N 0 0 448.607 7.362 50 0 IKAARN CCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC ZINC000100425590 557402517 /nfs/dbraw/zinc/40/25/17/557402517.db2.gz CPGIDKYJMVXFQG-AREMUKBSSA-N 0 0 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CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100429670 557402784 /nfs/dbraw/zinc/40/27/84/557402784.db2.gz DYWAUUYYCXLNMX-WGDIFIGCSA-N 0 0 446.934 6.893 50 0 IKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000004903661 557402969 /nfs/dbraw/zinc/40/29/69/557402969.db2.gz BLRZOYZZIRWJDB-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000004904614 557402987 /nfs/dbraw/zinc/40/29/87/557402987.db2.gz CNDDUYVKRQZULC-UHFFFAOYSA-N 0 0 427.548 5.984 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)[C@@H]1C ZINC000004904846 557403013 /nfs/dbraw/zinc/40/30/13/557403013.db2.gz DXQXKCUFSHUQGB-JBYIUTFZSA-N 0 0 433.596 5.553 50 0 IKAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)c1cccc2ccccc21 ZINC000004906738 557403374 /nfs/dbraw/zinc/40/33/74/557403374.db2.gz UIYHGZRKILSPJZ-SFHVURJKSA-N 0 0 425.550 5.009 50 0 IKAARN CCc1ccc(NC(=S)N(Cc2cn(CC)c3ccccc23)C2CCCCCC2)cc1 ZINC000004913336 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557414844 /nfs/dbraw/zinc/41/48/44/557414844.db2.gz RHAOXPWIIXEHJR-CLYVBNDRSA-N 0 0 444.531 7.003 50 0 IKAARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 ZINC000102985164 557414893 /nfs/dbraw/zinc/41/48/93/557414893.db2.gz TWGJGBATYROCRQ-SANMLTNESA-N 0 0 432.564 6.765 50 0 IKAARN Cc1cccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)c1 ZINC000004958739 557415347 /nfs/dbraw/zinc/41/53/47/557415347.db2.gz OIXOENBDEIHLDZ-UHFFFAOYSA-N 0 0 425.532 5.614 50 0 IKAARN O=C(Nc1cccc(F)c1)N1CCCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000103071937 557418111 /nfs/dbraw/zinc/41/81/11/557418111.db2.gz KBAPILLOKNGKMO-UHFFFAOYSA-N 0 0 430.483 5.250 50 0 IKAARN COc1ccc(NP(=O)(/C=C(/Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1 ZINC000033612091 557422396 /nfs/dbraw/zinc/42/23/96/557422396.db2.gz UUBQFIXBSNZLRK-LKNRODPVSA-N 0 0 444.298 7.860 50 0 IKAARN Cc1coc2c1cc1c(C)c(CC(=O)N3CCCC[C@H]3c3cccnc3)c(=O)oc1c2C ZINC000526052336 557422478 /nfs/dbraw/zinc/42/24/78/557422478.db2.gz GUMJHDWJZPTPIB-QFIPXVFZSA-N 0 0 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CCOc1ccc2nc(N3CCC[C@@H](C(=O)N[C@H](C)CCc4ccccc4)C3)sc2c1 ZINC000103661512 557440037 /nfs/dbraw/zinc/44/00/37/557440037.db2.gz HVIFXCLHDPVPQF-UYAOXDASSA-N 0 0 437.609 5.049 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N[C@H](C)CCc4ccccc4)C3)sc2c1 ZINC000103661509 557440076 /nfs/dbraw/zinc/44/00/76/557440076.db2.gz HVIFXCLHDPVPQF-QUCCMNQESA-N 0 0 437.609 5.049 50 0 IKAARN Cc1ccccc1CN1CCCN(Cc2ccc(F)cc2Cl)[C@H]1c1ccccc1F ZINC000103624006 557440293 /nfs/dbraw/zinc/44/02/93/557440293.db2.gz IZDZGQBQBQHPAQ-VWLOTQADSA-N 0 0 426.938 6.333 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@H]1c1cccs1 ZINC000103726729 557440644 /nfs/dbraw/zinc/44/06/44/557440644.db2.gz QCGMHMOKJONPFY-RAGBBULCSA-N 0 0 438.637 5.626 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)[C@H]1C ZINC000103750173 557441475 /nfs/dbraw/zinc/44/14/75/557441475.db2.gz BTOISCSJPQZRNJ-GJYPPUQNSA-N 0 0 441.959 5.209 50 0 IKAARN COc1ccc(-c2csc3ncnc(N4CCN(c5cccc(C)c5)[C@H](C)C4)c23)cc1 ZINC000103837284 557441756 /nfs/dbraw/zinc/44/17/56/557441756.db2.gz KQIBEZFOJXNHJP-GOSISDBHSA-N 0 0 430.577 5.390 50 0 IKAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000103893779 557442314 /nfs/dbraw/zinc/44/23/14/557442314.db2.gz RUULMTSMPXBIPZ-HXUWFJFHSA-N 0 0 441.579 5.045 50 0 IKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)ccc1N1CCCC1 ZINC000014777434 557442776 /nfs/dbraw/zinc/44/27/76/557442776.db2.gz LHGCQBFDUKZUCF-UHFFFAOYSA-N 0 0 431.870 5.445 50 0 IKAARN Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)c2)cs1 ZINC000014778835 557446465 /nfs/dbraw/zinc/44/64/65/557446465.db2.gz OQXKRZVVKDCLBT-FEAKQIBJSA-N 0 0 446.494 5.940 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096278555 557450359 /nfs/dbraw/zinc/45/03/59/557450359.db2.gz KQRCJETYJJAGBL-HSZRJFAPSA-N 0 0 430.523 5.113 50 0 IKAARN Cc1cccc(Cn2c(C(=O)Nc3ccccc3)cc3cc(NC(=O)c4ccco4)ccc32)c1 ZINC000096278497 557450410 /nfs/dbraw/zinc/45/04/10/557450410.db2.gz 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CCCN1c2ccc(C)cc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000101470849 557456979 /nfs/dbraw/zinc/45/69/79/557456979.db2.gz VUOHDNZAZMKSPQ-HSZRJFAPSA-N 0 0 437.543 5.085 50 0 IKAARN COc1cc2nc3n(c(=O)c2cc1OC)CCCC/C3=C/c1ccc(C(F)(F)F)cc1 ZINC000104832838 557462305 /nfs/dbraw/zinc/46/23/05/557462305.db2.gz CUUHSRUTUWOGSW-PTNGSMBKSA-N 0 0 430.426 5.157 50 0 IKAARN CCCOc1c(I)cc(-c2nc3ccccc3s2)cc1OC ZINC000016425550 557473561 /nfs/dbraw/zinc/47/35/61/557473561.db2.gz QYZAZKQVJUIPQA-UHFFFAOYSA-N 0 0 425.291 5.365 50 0 IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014850851 557495831 /nfs/dbraw/zinc/49/58/31/557495831.db2.gz RIFQIJITPLOMOY-UHFFFAOYSA-N 0 0 444.837 6.094 50 0 IKAARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CC[C@]1(CCOC(C)(C)OC1)O2 ZINC000006471014 557496038 /nfs/dbraw/zinc/49/60/38/557496038.db2.gz JPCPUGHXRFGTIL-IQJRQKNWSA-N 0 0 436.633 5.451 50 0 IKAARN COc1ccccc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019898912 557498650 /nfs/dbraw/zinc/49/86/50/557498650.db2.gz LKDWIBJAODAFFN-NZQKXSOJSA-N 0 0 425.315 6.244 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)[C@H]1C ZINC000105451296 557498811 /nfs/dbraw/zinc/49/88/11/557498811.db2.gz NIVOOVJIAXRMQY-XIZAQAEBSA-N 0 0 438.568 5.246 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)ccc1Cl ZINC000010128871 557500082 /nfs/dbraw/zinc/50/00/82/557500082.db2.gz YEPHDQPVULRLFT-UHFFFAOYSA-N 0 0 433.891 5.748 50 0 biogenic,in-vitro IKAARN COCCNC(=O)C[C@H](CCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000105548335 557507429 /nfs/dbraw/zinc/50/74/29/557507429.db2.gz JTOSLNWHOZOQHH-VWLOTQADSA-N 0 0 440.587 5.559 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Cl ZINC000105548502 557507510 /nfs/dbraw/zinc/50/75/10/557507510.db2.gz DODPQYCQVRUPKH-QHCPKHFHSA-N 0 0 446.978 5.628 50 0 IKAARN COc1ccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(N3CCCC[C@@H]3C)n2)cc1 ZINC000106005456 557512791 /nfs/dbraw/zinc/51/27/91/557512791.db2.gz GGSGCSCFOPWRAK-RBUKOAKNSA-N 0 0 430.552 5.022 50 0 IKAARN O=S(=O)(c1ccc(Br)s1)N(Cc1cccs1)Cc1cccs1 ZINC000020001076 557514223 /nfs/dbraw/zinc/51/42/23/557514223.db2.gz LNDCUEMCWANPCZ-UHFFFAOYSA-N 0 0 434.427 5.025 50 0 IKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000036616797 557517337 /nfs/dbraw/zinc/51/73/37/557517337.db2.gz JRUDUTUONUAYRQ-UHFFFAOYSA-N 0 0 439.563 5.655 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)/C=C/c1cccs1 ZINC000002679371 557521828 /nfs/dbraw/zinc/52/18/28/557521828.db2.gz ZJWCMFPCNKJWDD-OUKQBFOZSA-N 0 0 439.602 6.603 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2OC)cc1 ZINC000012035010 557524697 /nfs/dbraw/zinc/52/46/97/557524697.db2.gz KYTKZLNCUIGGTJ-UHFFFAOYSA-N 0 0 446.728 6.039 50 0 IKAARN CCN(CC)C(=O)Cn1c2ccccc2nc1SCCOc1ccc(Cl)c(C)c1 ZINC000012062268 557526429 /nfs/dbraw/zinc/52/64/29/557526429.db2.gz LRRFUGQDWVKFEX-UHFFFAOYSA-N 0 0 431.989 5.038 50 0 IKAARN COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCc1cccc2ccccc21 ZINC000003412654 557527642 /nfs/dbraw/zinc/52/76/42/557527642.db2.gz HRDRTMGRNCNVQI-XQNSMLJCSA-N 0 0 426.516 5.583 50 0 IKAARN FC(F)(F)c1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)c1 ZINC000012082718 557527724 /nfs/dbraw/zinc/52/77/24/557527724.db2.gz ZIQVECONEKFGEI-ZXVVBBHZSA-N 0 0 444.250 7.114 50 0 IKAARN FC(F)(F)c1cnc(N2CCN(c3nc(C(F)(F)F)ccc3Cl)CC2)c(Cl)c1 ZINC000025177792 557528847 /nfs/dbraw/zinc/52/88/47/557528847.db2.gz YEFSHKPXKDUWFI-UHFFFAOYSA-N 0 0 445.194 5.148 50 0 IKAARN O=C(c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1)N1CCCCC1 ZINC000025186146 557529293 /nfs/dbraw/zinc/52/92/93/557529293.db2.gz BMWKMEYCJLGAGT-UHFFFAOYSA-N 0 0 448.979 5.942 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000106544823 557530209 /nfs/dbraw/zinc/53/02/09/557530209.db2.gz BUEGFNKQFJKTRH-IVZQSRNASA-N 0 0 439.581 5.396 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(-c4cccc(Br)c4)o3)c(=O)oc2c1 ZINC000106665020 557531154 /nfs/dbraw/zinc/53/11/54/557531154.db2.gz OKDAWPSWGWARIR-UHFFFAOYSA-N 0 0 440.297 5.119 50 0 IKAARN Cc1ccc(C(=O)C[C@@H](Nc2cccc(Br)c2)c2ccc(Cl)cc2)cc1 ZINC000003168697 557531830 /nfs/dbraw/zinc/53/18/30/557531830.db2.gz HOSCNGAMVAHOPY-OAQYLSRUSA-N 0 0 428.757 6.837 50 0 IKAARN Cc1ccc([C@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(Cl)c2)cc1 ZINC000003168669 557531904 /nfs/dbraw/zinc/53/19/04/557531904.db2.gz FOGLSFBLUZLLJS-NRFANRHFSA-N 0 0 428.757 6.837 50 0 IKAARN Cn1cc([C@@H](CC(=O)NC[C@]2(C)CCCO2)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000106798170 557532627 /nfs/dbraw/zinc/53/26/27/557532627.db2.gz USWWPCPQXBBLEU-UUOWRZLLSA-N 0 0 445.390 5.692 50 0 IKAARN CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O ZINC000107146134 557534775 /nfs/dbraw/zinc/53/47/75/557534775.db2.gz MDPMFSADSSYKMA-XFAGBWLFSA-N 0 0 444.531 5.108 50 0 IKAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000044803540 557537101 /nfs/dbraw/zinc/53/71/01/557537101.db2.gz VXBDXLZJNVZLDU-CQSZACIVSA-N 0 0 445.350 5.190 50 0 IKAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000044803734 557537401 /nfs/dbraw/zinc/53/74/01/557537401.db2.gz KATSPWMDYAOCDT-OAHLLOKOSA-N 0 0 442.922 5.066 50 0 IKAARN COc1ccccc1-n1c(C)nnc1SCc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000044854705 557537758 /nfs/dbraw/zinc/53/77/58/557537758.db2.gz MVEDTQFMXHPBAN-UHFFFAOYSA-N 0 0 448.523 5.268 50 0 IKAARN CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000044841635 557539576 /nfs/dbraw/zinc/53/95/76/557539576.db2.gz NTITZZMHJJMAGZ-UHFFFAOYSA-N 0 0 430.504 5.141 50 0 IKAARN CC[C@H](c1nc2ccccc2c(=O)n1C1CCCCCC1)N1C(=O)c2ccccc2C1=O ZINC000044928631 557541121 /nfs/dbraw/zinc/54/11/21/557541121.db2.gz ZURSVTIXXIQYIY-JOCHJYFZSA-N 0 0 429.520 5.039 50 0 IKAARN CCCCOc1c(OC)cccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccn1 ZINC000044921628 557541175 /nfs/dbraw/zinc/54/11/75/557541175.db2.gz QMTZUKYAMAMQDO-QFIPXVFZSA-N 0 0 438.553 5.187 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000044974467 557542264 /nfs/dbraw/zinc/54/22/64/557542264.db2.gz DPKFOBVRPWWDHS-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000045438901 557543357 /nfs/dbraw/zinc/54/33/57/557543357.db2.gz UQHBDUPFKIPSBS-UHFFFAOYSA-N 0 0 444.922 5.342 50 0 IKAARN CCOc1ccccc1Nc1nc2ccccc2nc1C(=O)OC[C@H]1COc2ccccc21 ZINC000045901743 557546711 /nfs/dbraw/zinc/54/67/11/557546711.db2.gz PLABHYIACPQEIF-QGZVFWFLSA-N 0 0 441.487 5.105 50 0 IKAARN CC(C)(c1ccccc1)c1ccc(Oc2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000045900739 557546725 /nfs/dbraw/zinc/54/67/25/557546725.db2.gz ZHYYIAGWSOWIHX-UHFFFAOYSA-N 0 0 425.532 5.585 50 0 IKAARN Cc1cccc(Sc2ccc(N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)nn2)c1 ZINC000045921675 557547539 /nfs/dbraw/zinc/54/75/39/557547539.db2.gz WVVXOYHYUZKKNE-HXUWFJFHSA-N 0 0 446.620 5.073 50 0 IKAARN Cc1ccccc1C(=O)Nc1cc2c(cc1Sc1ccccc1Cl)n(C)c(=O)n2C ZINC000045940889 557549357 /nfs/dbraw/zinc/54/93/57/557549357.db2.gz MRJQJTZSORMBJH-UHFFFAOYSA-N 0 0 437.952 5.242 50 0 IKAARN Cc1cccc(C(=O)Nc2cc3c(cc2Sc2ccccc2Cl)n(C)c(=O)n3C)c1 ZINC000045940885 557549369 /nfs/dbraw/zinc/54/93/69/557549369.db2.gz NLBFTWQEHBBIPG-UHFFFAOYSA-N 0 0 437.952 5.242 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(-c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000045924672 557549837 /nfs/dbraw/zinc/54/98/37/557549837.db2.gz LXUXEMRGANWFRE-UHFFFAOYSA-N 0 0 444.343 6.412 50 0 IKAARN CCOc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1 ZINC000045925338 557550068 /nfs/dbraw/zinc/55/00/68/557550068.db2.gz WASCYAKBMVTSLZ-UHFFFAOYSA-N 0 0 429.467 6.106 50 0 IKAARN CC(C)c1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 ZINC000045925428 557550101 /nfs/dbraw/zinc/55/01/01/557550101.db2.gz DSNUTTNLWNRBPV-UHFFFAOYSA-N 0 0 438.394 6.575 50 0 IKAARN CCOc1ccccc1[C@@H]1C(c2ccc(OC)cc2)C(=O)C(=O)N1Cc1ccc(OC)cc1 ZINC000045928231 557550304 /nfs/dbraw/zinc/55/03/04/557550304.db2.gz AUOVRCQVCXSZDW-RUZDIDTESA-N 0 0 445.515 5.155 50 0 IKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C1c1ccc(Cl)cc1 ZINC000045928386 557550359 /nfs/dbraw/zinc/55/03/59/557550359.db2.gz MTOYUZZRXPUOFI-NRFANRHFSA-N 0 0 428.290 6.185 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(F)c(Cl)c2)cc1 ZINC000045928541 557550587 /nfs/dbraw/zinc/55/05/87/557550587.db2.gz SIVUFMVLICTHIM-QFIPXVFZSA-N 0 0 439.939 6.254 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941432 557551123 /nfs/dbraw/zinc/55/11/23/557551123.db2.gz XDRFVXCGUHXNIL-AREMUKBSSA-N 0 0 443.543 5.880 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000045941575 557551264 /nfs/dbraw/zinc/55/12/64/557551264.db2.gz XWDRVWCXBPSYNP-HSZRJFAPSA-N 0 0 448.360 6.119 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000045941573 557551296 /nfs/dbraw/zinc/55/12/96/557551296.db2.gz MHSYZOKFXJTNEE-QFIPXVFZSA-N 0 0 434.333 5.810 50 0 IKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000045941648 557551302 /nfs/dbraw/zinc/55/13/02/557551302.db2.gz RGTIMIZIYYWVAF-SANMLTNESA-N 0 0 427.544 6.180 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941721 557551318 /nfs/dbraw/zinc/55/13/18/557551318.db2.gz XXICDTAHQNUIPW-RUZDIDTESA-N 0 0 431.507 6.011 50 0 IKAARN CCc1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941676 557551327 /nfs/dbraw/zinc/55/13/27/557551327.db2.gz OQYQGGOIYJGODV-RUZDIDTESA-N 0 0 429.516 5.319 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2Br)cc1 ZINC000045941583 557551350 /nfs/dbraw/zinc/55/13/50/557551350.db2.gz GQTLBQOTDTVMST-HSZRJFAPSA-N 0 0 448.360 6.119 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000045941812 557551355 /nfs/dbraw/zinc/55/13/55/557551355.db2.gz YAFMMIXXNDIKJB-VWLOTQADSA-N 0 0 429.516 5.108 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000045942132 557551769 /nfs/dbraw/zinc/55/17/69/557551769.db2.gz PRWUJTQETKSHQJ-DEOSSOPVSA-N 0 0 433.479 5.204 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000045942110 557551776 /nfs/dbraw/zinc/55/17/76/557551776.db2.gz JVTMPDPAWYCORX-QHCPKHFHSA-N 0 0 435.907 5.410 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045942333 557551904 /nfs/dbraw/zinc/55/19/04/557551904.db2.gz UQUXEPXSTFGAIP-QHCPKHFHSA-N 0 0 449.890 5.130 50 0 IKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000045942383 557551915 /nfs/dbraw/zinc/55/19/15/557551915.db2.gz JATFQUGZBZKTDT-VWLOTQADSA-N 0 0 427.500 5.339 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000045942722 557552204 /nfs/dbraw/zinc/55/22/04/557552204.db2.gz CLBZGAJKIHVEJD-NRFANRHFSA-N 0 0 435.321 5.205 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Br)c(C)c3)o2)cc1C ZINC000045943353 557552397 /nfs/dbraw/zinc/55/23/97/557552397.db2.gz NCOSYHLGRUWYGQ-UHFFFAOYSA-N 0 0 431.355 5.760 50 0 IKAARN CCOCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(F)cc1 ZINC000045943813 557552629 /nfs/dbraw/zinc/55/26/29/557552629.db2.gz WLMWPUZKMMVCPS-UHFFFAOYSA-N 0 0 442.943 6.065 50 0 IKAARN CCOCCCNC(=O)c1sc2c(cnc3c(OC)cccc23)c1-c1ccc(C)cc1 ZINC000045943968 557552872 /nfs/dbraw/zinc/55/28/72/557552872.db2.gz KWBFWVLKELSXQK-UHFFFAOYSA-N 0 0 434.561 5.590 50 0 IKAARN CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NCCC(C)C)cc1 ZINC000045943981 557552875 /nfs/dbraw/zinc/55/28/75/557552875.db2.gz HVXJFMWMEIRPDW-UHFFFAOYSA-N 0 0 437.008 7.108 50 0 IKAARN CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000045944004 557552891 /nfs/dbraw/zinc/55/28/91/557552891.db2.gz IPKWOYRUZBCBLB-SFHVURJKSA-N 0 0 434.536 5.727 50 0 IKAARN CCn1c2cc(NC(=O)c3ccccc3F)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045960910 557555083 /nfs/dbraw/zinc/55/50/83/557555083.db2.gz XJODFDQBLXNGPF-UHFFFAOYSA-N 0 0 435.524 5.385 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000045961836 557555375 /nfs/dbraw/zinc/55/53/75/557555375.db2.gz BMCXZKBLHVKCKS-UHFFFAOYSA-N 0 0 440.565 5.462 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000045961893 557556998 /nfs/dbraw/zinc/55/69/98/557556998.db2.gz ZGATZZIDSMDLLW-UHFFFAOYSA-N 0 0 426.538 5.072 50 0 IKAARN Cc1ccc(C2=N/C(=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)O2)cc1 ZINC000039388786 557650715 /nfs/dbraw/zinc/65/07/15/557650715.db2.gz AXFSKZNAOOUFKO-XKZIYDEJSA-N 0 0 438.310 6.225 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000039844379 557669528 /nfs/dbraw/zinc/66/95/28/557669528.db2.gz MFSHYXCVASFMOI-UHFFFAOYSA-N 0 0 426.444 5.065 50 0 IKAARN O=C(Nc1ccccc1)C1CCN(C(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000039983318 557674352 /nfs/dbraw/zinc/67/43/52/557674352.db2.gz XDXYCVMUDWDLLL-NCELDCMTSA-N 0 0 444.962 5.758 50 0 IKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cc(Br)ccc1Cl ZINC000000841446 557682663 /nfs/dbraw/zinc/68/26/63/557682663.db2.gz PVYOKAVYEFXURH-UHFFFAOYSA-N 0 0 428.673 5.558 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000000842026 557700694 /nfs/dbraw/zinc/70/06/94/557700694.db2.gz KRQIILQWVUYYST-NFJKTXFASA-N 0 0 433.429 5.276 50 0 IKAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Cl)cc3Cl)n2)cn1 ZINC000040284005 557709218 /nfs/dbraw/zinc/70/92/18/557709218.db2.gz LCJGUFIQGWPNHX-UHFFFAOYSA-N 0 0 425.275 5.666 50 0 IKAARN COC(=O)CN1C(c2cccc(Cl)c2)=Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 ZINC000225506666 557731681 /nfs/dbraw/zinc/73/16/81/557731681.db2.gz WRSMDSCXWRRHGS-QFIPXVFZSA-N 0 0 425.315 5.650 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cnc2ccccc2n1 ZINC000225508192 557731992 /nfs/dbraw/zinc/73/19/92/557731992.db2.gz VBEIXGFHOQHODD-QHCPKHFHSA-N 0 0 443.963 5.831 50 0 IKAARN CN(C(=O)NCc1coc(-c2cccs2)n1)c1ccc(Br)cc1Cl ZINC000225516146 557733762 /nfs/dbraw/zinc/73/37/62/557733762.db2.gz XMPUOGVEQRNRPP-UHFFFAOYSA-N 0 0 426.723 5.165 50 0 IKAARN S=C(NCc1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000225518067 557734392 /nfs/dbraw/zinc/73/43/92/557734392.db2.gz ZBOMHTIZXGUWHN-LJQANCHMSA-N 0 0 440.366 5.268 50 0 IKAARN O=C(Nc1ccccc1-c1cc(-c2ccccc2)c2ccc(Cl)cc2n1)c1cccs1 ZINC000225518498 557734410 /nfs/dbraw/zinc/73/44/10/557734410.db2.gz RHFYGKNZGFXYQA-UHFFFAOYSA-N 0 0 440.955 7.536 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000040451075 557734904 /nfs/dbraw/zinc/73/49/04/557734904.db2.gz HLAGBBPWFWOVLU-DEOSSOPVSA-N 0 0 436.964 5.466 50 0 IKAARN O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CCC(c2cnccn2)CC1 ZINC000225578457 557746109 /nfs/dbraw/zinc/74/61/09/557746109.db2.gz XAQCVCNPWYHJHD-UHFFFAOYSA-N 0 0 428.923 5.365 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 ZINC000000842368 557797630 /nfs/dbraw/zinc/79/76/30/557797630.db2.gz YXCKJJVXQZQVKN-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000000842765 557802523 /nfs/dbraw/zinc/80/25/23/557802523.db2.gz MKBPZRQBGGTNQS-WOJGMQOQSA-N 0 0 439.920 5.642 50 0 IKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 ZINC000000843896 557810986 /nfs/dbraw/zinc/81/09/86/557810986.db2.gz CSWOQINTUWSVGN-JOCHJYFZSA-N 0 0 437.396 5.984 50 0 IKAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000000843891 557811020 /nfs/dbraw/zinc/81/10/20/557811020.db2.gz KECDZVAZPVJZQR-QHCPKHFHSA-N 0 0 449.432 5.854 50 0 IKAARN O=C1CN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)c2ccccc2N1 ZINC000000843942 557811034 /nfs/dbraw/zinc/81/10/34/557811034.db2.gz CKHIPQFGCYCBDK-UHFFFAOYSA-N 0 0 431.293 5.150 50 0 IKAARN CCc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000226984188 557811490 /nfs/dbraw/zinc/81/14/90/557811490.db2.gz YZORGGDPVBBSOO-RBZQAINGSA-N 0 0 446.934 5.262 50 0 IKAARN O=c1oc2c(Br)cc(Br)cc2cc1-c1nnc(-c2ccccc2)o1 ZINC000000846051 557828946 /nfs/dbraw/zinc/82/89/46/557828946.db2.gz LNLHBRWEUOGXLB-UHFFFAOYSA-N 0 0 448.070 5.035 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC2)cc1 ZINC000000848177 557829377 /nfs/dbraw/zinc/82/93/77/557829377.db2.gz RNOAUYBJIZLIHF-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN CC[C@H](C)NC(=O)c1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1Cl ZINC000000848594 557829556 /nfs/dbraw/zinc/82/95/56/557829556.db2.gz NMZKVSFMRMCHHS-VIFPVBQESA-N 0 0 431.245 5.250 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3n2)cc1 ZINC000000848692 557829753 /nfs/dbraw/zinc/82/97/53/557829753.db2.gz JFBVSVQDWDIOLN-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN CC(C)c1ccccc1NC(=O)COc1ccc(Br)cc1Br ZINC000000851380 557831003 /nfs/dbraw/zinc/83/10/03/557831003.db2.gz CARNAOZGLKIGMF-UHFFFAOYSA-N 0 0 427.136 5.353 50 0 IKAARN CNC(=O)/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)NC(=O)c1ccc(C)cc1 ZINC000000852068 557831040 /nfs/dbraw/zinc/83/10/40/557831040.db2.gz MTGMPPLNKMLINL-XDHOZWIPSA-N 0 0 429.303 5.079 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000000853495 557831048 /nfs/dbraw/zinc/83/10/48/557831048.db2.gz LHKMWQUNHOBBOX-UHFFFAOYSA-N 0 0 449.985 5.316 50 0 IKAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1cc(I)ccc1Cl ZINC000000855726 557831207 /nfs/dbraw/zinc/83/12/07/557831207.db2.gz IFLUZYWOCIFCIO-UHFFFAOYSA-N 0 0 433.676 5.449 50 0 IKAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N[C@@H](c1cccs1)c1ccccc1 ZINC000229703780 557833153 /nfs/dbraw/zinc/83/31/53/557833153.db2.gz ILGXDOPEQXLNCF-WMZHIEFXSA-N 0 0 433.602 5.401 50 0 IKAARN Cc1c(NC(=O)[C@H](C)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000230511024 557835333 /nfs/dbraw/zinc/83/53/33/557835333.db2.gz GPODZKBQLJHZBJ-OAHLLOKOSA-N 0 0 426.438 6.008 50 0 IKAARN Cc1cccc(NCc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)n[nH]2)c1 ZINC000000863691 557836579 /nfs/dbraw/zinc/83/65/79/557836579.db2.gz NSGCBZPDDDATAU-UHFFFAOYSA-N 0 0 429.549 5.123 50 0 IKAARN CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000000865628 557839489 /nfs/dbraw/zinc/83/94/89/557839489.db2.gz YCRMEZZFHQVJSC-DLBZAZTESA-N 0 0 448.876 6.012 50 0 IKAARN CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 ZINC000000865631 557839523 /nfs/dbraw/zinc/83/95/23/557839523.db2.gz YCRMEZZFHQVJSC-SJORKVTESA-N 0 0 448.876 6.012 50 0 IKAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000000866298 557839688 /nfs/dbraw/zinc/83/96/88/557839688.db2.gz YYGJBFADDQRFQO-UHFFFAOYSA-N 0 0 448.382 5.228 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000866507 557839715 /nfs/dbraw/zinc/83/97/15/557839715.db2.gz GUUVTSIIXBWRTG-ZBFHGGJFSA-N 0 0 440.878 5.819 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000866510 557839797 /nfs/dbraw/zinc/83/97/97/557839797.db2.gz GUUVTSIIXBWRTG-GOEBONIOSA-N 0 0 440.878 5.819 50 0 IKAARN O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1ccccc1Cl ZINC000000866334 557839804 /nfs/dbraw/zinc/83/98/04/557839804.db2.gz HYFQXPOIAUFGGM-UHFFFAOYSA-N 0 0 438.774 5.483 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 ZINC000000867061 557839907 /nfs/dbraw/zinc/83/99/07/557839907.db2.gz JAWYITGVFTYRFB-CABCVRRESA-N 0 0 438.837 5.028 50 0 IKAARN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCCC1 ZINC000000867007 557839965 /nfs/dbraw/zinc/83/99/65/557839965.db2.gz PBXZJTCEKAJLNC-GJZGRUSLSA-N 0 0 444.860 5.352 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)c1 ZINC000000869080 557840109 /nfs/dbraw/zinc/84/01/09/557840109.db2.gz USPWHPSMWLYNPJ-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)c2ccco2)cc1 ZINC000000868792 557840146 /nfs/dbraw/zinc/84/01/46/557840146.db2.gz ATGYVSWQBDXTNE-FQEVSTJZSA-N 0 0 433.323 5.139 50 0 IKAARN O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2 ZINC000003053626 557841980 /nfs/dbraw/zinc/84/19/80/557841980.db2.gz KRHMAHKBOFGFPY-UHFFFAOYSA-N 0 0 446.547 5.810 50 0 aggregator IKAARN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1Cl ZINC000000871697 557845516 /nfs/dbraw/zinc/84/55/16/557845516.db2.gz WTXNHOHCHMBQIA-HSZRJFAPSA-N 0 0 447.922 5.468 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 ZINC000000874211 557847947 /nfs/dbraw/zinc/84/79/47/557847947.db2.gz VPDATQDGTMIPBX-GOSISDBHSA-N 0 0 429.549 5.065 50 0 IKAARN O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1 ZINC000000877730 557848400 /nfs/dbraw/zinc/84/84/00/557848400.db2.gz HSUBANMKZNSVGI-UHFFFAOYSA-N 0 0 449.967 5.264 50 0 IKAARN O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000003669658 557849499 /nfs/dbraw/zinc/84/94/99/557849499.db2.gz GNFLJZLKYCXNIE-MHZLTWQESA-N 0 0 448.497 6.163 50 0 IKAARN CC(C)n1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000015008599 557849843 /nfs/dbraw/zinc/84/98/43/557849843.db2.gz FZCGVDDFMCJYIM-JAIQZWGSSA-N 0 0 437.496 5.036 50 0 IKAARN COc1ccc(/C=C/CN2CCOc3c(cc(-c4ccc(OC)cc4)cc3OC)C2)cc1 ZINC000015007674 557850012 /nfs/dbraw/zinc/85/00/12/557850012.db2.gz QMDYQBLRDXNNHZ-SNAWJCMRSA-N 0 0 431.532 5.287 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 ZINC000000882043 557853001 /nfs/dbraw/zinc/85/30/01/557853001.db2.gz RUQNODOMFMLCRO-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000883842 557854557 /nfs/dbraw/zinc/85/45/57/557854557.db2.gz SJOAUYZJIDJWTH-UHFFFAOYSA-N 0 0 431.439 5.096 50 0 IKAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)c4ccccc4)c3N2)c1 ZINC000000884232 557854688 /nfs/dbraw/zinc/85/46/88/557854688.db2.gz LQVVRETYJPAIQE-PNHOKKKMSA-N 0 0 444.457 5.043 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1)c1ccco1 ZINC000000884859 557854955 /nfs/dbraw/zinc/85/49/55/557854955.db2.gz XNBZOWOFGKVXQU-UHFFFAOYSA-N 0 0 435.277 5.700 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000000886547 557855571 /nfs/dbraw/zinc/85/55/71/557855571.db2.gz OCNAMYQZZWYRMZ-SFHVURJKSA-N 0 0 429.549 5.065 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000000888254 557856907 /nfs/dbraw/zinc/85/69/07/557856907.db2.gz BLNHUALPTOCNPF-UHFFFAOYSA-N 0 0 442.588 5.514 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000000888275 557856931 /nfs/dbraw/zinc/85/69/31/557856931.db2.gz URCJKGQELJRCNJ-UHFFFAOYSA-N 0 0 442.588 5.514 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 ZINC000000890637 557859087 /nfs/dbraw/zinc/85/90/87/557859087.db2.gz XNZKOXSLLCUTPF-OAHLLOKOSA-N 0 0 439.503 5.054 50 0 IKAARN O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000892263 557860446 /nfs/dbraw/zinc/86/04/46/557860446.db2.gz JZEPBOPBLWOJRB-UHFFFAOYSA-N 0 0 437.710 5.521 50 0 IKAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000017724674 560090970 /nfs/dbraw/zinc/09/09/70/560090970.db2.gz NWNQOAZCDWMOGB-AMWHVFNNSA-N 0 0 435.564 5.002 50 0 biogenic,in-vitro IKAARN COCCOC(=O)c1c(C)n(CCSc2ccccc2)c2c1cc(O)c1ccccc21 ZINC000008783571 560210916 /nfs/dbraw/zinc/21/09/16/560210916.db2.gz TZXRMYTXCUUWBG-UHFFFAOYSA-N 0 0 435.545 5.404 50 0 biogenic,in-vitro IKAARN Cc1nnc(-c2cccc(Br)c2)c2cn(-c3cccc(Br)c3)nc21 ZINC000000988040 562919875 /nfs/dbraw/zinc/91/98/75/562919875.db2.gz AECFCCDRHPPLMX-UHFFFAOYSA-N 0 0 444.130 5.316 50 0 IKAARN O=C(CCC(=O)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1)Nc1ccccc1 ZINC000001051432 562920152 /nfs/dbraw/zinc/92/01/52/562920152.db2.gz NVBWLUCRSSGBOQ-UHFFFAOYSA-N 0 0 437.879 5.021 50 0 aggregator IKAARN Cc1cc2c(nc(SCC(=O)c3ccc(Cl)s3)n(Cc3ccco3)c2=O)s1 ZINC000001057113 562920172 /nfs/dbraw/zinc/92/01/72/562920172.db2.gz WVBRMTJMELWOCM-UHFFFAOYSA-N 0 0 436.967 5.098 50 0 IKAARN CCC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)ccc1C ZINC000001118899 562920575 /nfs/dbraw/zinc/92/05/75/562920575.db2.gz UPMROPRBEHBOGF-SANMLTNESA-N 0 0 429.516 5.741 50 0 IKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc4ccccc4c3)n2)cc1OC ZINC000001158393 562920696 /nfs/dbraw/zinc/92/06/96/562920696.db2.gz AXJYLSQUZFQZJK-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN COc1ccc(OCc2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000001243923 562921061 /nfs/dbraw/zinc/92/10/61/562921061.db2.gz BNGHWHDICIRVOH-UHFFFAOYSA-N 0 0 448.482 5.792 50 0 IKAARN Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(F)cc2)o1 ZINC000001387913 562921586 /nfs/dbraw/zinc/92/15/86/562921586.db2.gz WAALRDXPAKBQIB-UHFFFAOYSA-N 0 0 446.265 5.331 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000001400096 562921701 /nfs/dbraw/zinc/92/17/01/562921701.db2.gz SZSJURBUCFQJPH-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000001402835 562921708 /nfs/dbraw/zinc/92/17/08/562921708.db2.gz CMTZXORZMMXAET-UHFFFAOYSA-N 0 0 442.327 5.345 50 0 IKAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C(=O)OCC)c1C ZINC000001776636 562924627 /nfs/dbraw/zinc/92/46/27/562924627.db2.gz TXJJABLJVCWAQY-JLHYYAGUSA-N 0 0 429.538 5.185 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000001773518 562924648 /nfs/dbraw/zinc/92/46/48/562924648.db2.gz WPMSJTKHNIBCAH-HNNXBMFYSA-N 0 0 428.598 5.067 50 0 IKAARN COC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001837666 562924796 /nfs/dbraw/zinc/92/47/96/562924796.db2.gz UACIDLHDKXVDTL-QFIPXVFZSA-N 0 0 425.315 5.650 50 0 aggregator IKAARN CCCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001825961 562924820 /nfs/dbraw/zinc/92/48/20/562924820.db2.gz HUSBXSMQTQQIBB-UHFFFAOYSA-N 0 0 434.605 6.202 50 0 IKAARN COc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3ccccc3n2)cc1 ZINC000002073042 562925714 /nfs/dbraw/zinc/92/57/14/562925714.db2.gz VAOCHZNTURYVNX-UHFFFAOYSA-N 0 0 434.289 5.892 50 0 aggregator IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(F)cc3)c2)cc1 ZINC000002102271 562925829 /nfs/dbraw/zinc/92/58/29/562925829.db2.gz WXOPDAGQHWBVGA-UHFFFAOYSA-N 0 0 432.447 5.834 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)c(Cl)cc12 ZINC000002134083 562925968 /nfs/dbraw/zinc/92/59/68/562925968.db2.gz FFDCEFNFRDDDBS-UHFFFAOYSA-N 0 0 432.900 5.394 50 0 biogenic IKAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O ZINC000002215065 562926369 /nfs/dbraw/zinc/92/63/69/562926369.db2.gz DLKZNFPNXSDUAY-UHFFFAOYSA-N 0 0 444.414 5.293 50 0 IKAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000002205807 562926377 /nfs/dbraw/zinc/92/63/77/562926377.db2.gz SFXWYBRACHQPMR-QHCPKHFHSA-N 0 0 444.512 5.775 50 0 IKAARN Cc1cccc(OP(=O)(Oc2cccc(C)c2)O[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000002270648 562926700 /nfs/dbraw/zinc/92/67/00/562926700.db2.gz BUHMPMCPHRPNBN-NRFANRHFSA-N 0 0 436.366 7.190 50 0 IKAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000002274851 562926716 /nfs/dbraw/zinc/92/67/16/562926716.db2.gz ASUMFZVKBIBPGG-AREMUKBSSA-N 0 0 445.455 7.157 50 0 IKAARN CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000002415425 562927554 /nfs/dbraw/zinc/92/75/54/562927554.db2.gz KCJYQLGUHSFDIF-CCLHPLFOSA-N 0 0 430.312 5.717 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002456696 562927890 /nfs/dbraw/zinc/92/78/90/562927890.db2.gz KLBXUYOSQXCTQR-NRFANRHFSA-N 0 0 428.385 5.028 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c(Br)c1 ZINC000002468027 562928081 /nfs/dbraw/zinc/92/80/81/562928081.db2.gz LDRNQBHCUOKRGQ-UHFFFAOYSA-N 0 0 442.338 5.102 50 0 IKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)c(C)c1)c1ccccc21 ZINC000002497190 562928218 /nfs/dbraw/zinc/92/82/18/562928218.db2.gz AKDOTHBVBPITBB-UHFFFAOYSA-N 0 0 427.909 5.860 50 0 IKAARN CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000002617016 562928436 /nfs/dbraw/zinc/92/84/36/562928436.db2.gz DNJMPLYTQJTDTK-UHFFFAOYSA-N 0 0 446.503 5.236 50 0 IKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3Cl)c2c1C ZINC000002628499 562928733 /nfs/dbraw/zinc/92/87/33/562928733.db2.gz LNGPQXPVWLDELB-UHFFFAOYSA-N 0 0 425.966 6.365 50 0 aggregator IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 ZINC000002632359 562928844 /nfs/dbraw/zinc/92/88/44/562928844.db2.gz LASXIPZYIUPGHN-UHFFFAOYSA-N 0 0 435.405 5.758 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCc2ccc(F)cc2)cc1 ZINC000002721737 562929916 /nfs/dbraw/zinc/92/99/16/562929916.db2.gz XFSGUJGQXCSFIG-UHFFFAOYSA-N 0 0 445.562 5.976 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000002724226 562930002 /nfs/dbraw/zinc/93/00/02/562930002.db2.gz YHEQRJQVMVNLFM-QFIPXVFZSA-N 0 0 442.412 5.337 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000002724225 562930008 /nfs/dbraw/zinc/93/00/08/562930008.db2.gz YHEQRJQVMVNLFM-JOCHJYFZSA-N 0 0 442.412 5.337 50 0 IKAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002820848 562930158 /nfs/dbraw/zinc/93/01/58/562930158.db2.gz LFSNGHFQQCNOCX-UHFFFAOYSA-N 0 0 432.501 5.726 50 0 aggregator IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2cccc(C)c2C)c1C ZINC000002928542 562930631 /nfs/dbraw/zinc/93/06/31/562930631.db2.gz WIZFNDBMNZEDKL-UHFFFAOYSA-N 0 0 434.536 5.294 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)NCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000002941442 562930959 /nfs/dbraw/zinc/93/09/59/562930959.db2.gz QUMJUBFRQGRPTA-UHFFFAOYSA-N 0 0 428.557 6.023 50 0 IKAARN CCc1ccc(Sc2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)cc1 ZINC000002941434 562930985 /nfs/dbraw/zinc/93/09/85/562930985.db2.gz SBPDYTFUDNXKNS-UHFFFAOYSA-N 0 0 428.557 5.887 50 0 IKAARN COc1ccc(CCNc2nc(SCc3ccc(F)cc3)nc3ccccc32)cc1OC ZINC000002948776 562931018 /nfs/dbraw/zinc/93/10/18/562931018.db2.gz HOCJJCQOTKCBQK-UHFFFAOYSA-N 0 0 449.551 5.733 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 ZINC000002948437 562931022 /nfs/dbraw/zinc/93/10/22/562931022.db2.gz MZNPKEDFLDQXSO-UHFFFAOYSA-N 0 0 428.557 5.757 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000002948483 562931047 /nfs/dbraw/zinc/93/10/47/562931047.db2.gz OLPHIWBWDJSZPL-UHFFFAOYSA-N 0 0 448.975 6.368 50 0 IKAARN COc1cc(Nc2nc(SCc3ccc(Cl)cc3)nc3ccccc32)cc(OC)c1 ZINC000002949070 562931146 /nfs/dbraw/zinc/93/11/46/562931146.db2.gz CVXRADCHTYZWKP-UHFFFAOYSA-N 0 0 437.952 6.336 50 0 aggregator IKAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccc(Cl)cc4)n3n2)n1 ZINC000002969215 562931281 /nfs/dbraw/zinc/93/12/81/562931281.db2.gz PUQAXFUVKFDKJE-UHFFFAOYSA-N 0 0 448.983 5.279 50 0 IKAARN O=C(C=Cc1ccccc1)Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 ZINC000002997954 562931543 /nfs/dbraw/zinc/93/15/43/562931543.db2.gz QHWRRGJHMISWLG-JLHYYAGUSA-N 0 0 431.542 5.318 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 ZINC000003006741 562931580 /nfs/dbraw/zinc/93/15/80/562931580.db2.gz AEWSVXVEOGUZNJ-DEOSSOPVSA-N 0 0 431.532 5.085 50 0 IKAARN CCOC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000003028995 562931899 /nfs/dbraw/zinc/93/18/99/562931899.db2.gz UBWCPAIGKBJGSR-UHFFFAOYSA-N 0 0 441.911 5.967 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1CCc1ccc(Cl)cc1 ZINC000003038939 562932024 /nfs/dbraw/zinc/93/20/24/562932024.db2.gz DXDGJLDGKYRCIQ-DEOSSOPVSA-N 0 0 442.962 5.157 50 0 IKAARN O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003040794 562932084 /nfs/dbraw/zinc/93/20/84/562932084.db2.gz GKJTXOMWHZIDCV-UHFFFAOYSA-N 0 0 428.557 5.671 50 0 aggregator IKAARN O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1c(Cl)cccc1Cl ZINC000003041620 562932085 /nfs/dbraw/zinc/93/20/85/562932085.db2.gz YODRLVBIQYILMX-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 aggregator IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1 ZINC000003041787 562932096 /nfs/dbraw/zinc/93/20/96/562932096.db2.gz WKUQLBBGBFNAOV-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)Nc1ccccc1Cl ZINC000003047772 562932156 /nfs/dbraw/zinc/93/21/56/562932156.db2.gz HHRIGFVJLLDDSP-UHFFFAOYSA-N 0 0 446.956 5.212 50 0 IKAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)Nc1ccc(C)cc1C ZINC000003047780 562932165 /nfs/dbraw/zinc/93/21/65/562932165.db2.gz GDUAINKKSDKCKS-UHFFFAOYSA-N 0 0 440.565 5.175 50 0 IKAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000003047770 562932195 /nfs/dbraw/zinc/93/21/95/562932195.db2.gz LTIBNWDCXJJVIV-UHFFFAOYSA-N 0 0 446.956 5.212 50 0 IKAARN CCc1cccc(NC(=O)CSc2ncccc2C(=O)Oc2ccccc2Cl)c1 ZINC000003048976 562932230 /nfs/dbraw/zinc/93/22/30/562932230.db2.gz ZQPFTRXGFMONRM-UHFFFAOYSA-N 0 0 426.925 5.247 50 0 IKAARN O=C(c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2)N1CCCC1 ZINC000003056332 562932285 /nfs/dbraw/zinc/93/22/85/562932285.db2.gz DFPQSZVYPFUVRK-UHFFFAOYSA-N 0 0 432.520 5.373 50 0 IKAARN CCc1ccc(Nc2cc(C(=O)NCCCN(C)c3ccccc3)c3ccccc3n2)cc1 ZINC000003053693 562932365 /nfs/dbraw/zinc/93/23/65/562932365.db2.gz FISOVCLDGMMAEQ-UHFFFAOYSA-N 0 0 438.575 5.797 50 0 IKAARN COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)cc1 ZINC000003066738 562932423 /nfs/dbraw/zinc/93/24/23/562932423.db2.gz DVJRHQOHLBWHKT-UHFFFAOYSA-N 0 0 434.517 5.104 50 0 IKAARN CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000003215412 562932915 /nfs/dbraw/zinc/93/29/15/562932915.db2.gz GGSRDMBNLGROGN-VWLOTQADSA-N 0 0 429.545 5.469 50 0 IKAARN COc1ccc(NS(=O)(=O)c2ccc3oc(SCc4ccc(F)cc4)nc3c2)cc1 ZINC000003239982 562933176 /nfs/dbraw/zinc/93/31/76/562933176.db2.gz GFRMCHKENLBOCS-UHFFFAOYSA-N 0 0 444.509 5.069 50 0 IKAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ncc(Cl)cc1Cl ZINC000003261233 562933468 /nfs/dbraw/zinc/93/34/68/562933468.db2.gz KFXGWHMSONNTAA-UHFFFAOYSA-N 0 0 433.675 5.191 50 0 aggregator IKAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c(C)c1 ZINC000003300635 562933941 /nfs/dbraw/zinc/93/39/41/562933941.db2.gz VEWZQRKCGGRWIU-UHFFFAOYSA-N 0 0 440.413 5.698 50 0 IKAARN O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1 ZINC000003355662 562934747 /nfs/dbraw/zinc/93/47/47/562934747.db2.gz JLEUUPXMOIKUHI-UHFFFAOYSA-N 0 0 447.494 5.274 50 0 aggregator IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003355559 562934752 /nfs/dbraw/zinc/93/47/52/562934752.db2.gz BLHDQZRYPMMZDK-LJQANCHMSA-N 0 0 448.781 6.007 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1oc2ccccc2c1COc1ccccc1 ZINC000003359215 562934770 /nfs/dbraw/zinc/93/47/70/562934770.db2.gz WGBQGQISGUCSPH-UHFFFAOYSA-N 0 0 433.507 6.855 50 0 aggregator IKAARN Cc1sc2ncnc(SCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1C ZINC000003393730 562935210 /nfs/dbraw/zinc/93/52/10/562935210.db2.gz MBCLYMXZCZIWEO-UHFFFAOYSA-N 0 0 448.545 5.441 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)cc1 ZINC000003408225 562935235 /nfs/dbraw/zinc/93/52/35/562935235.db2.gz CRGGMAZZGAVJDH-UHFFFAOYSA-N 0 0 433.558 5.914 50 0 IKAARN Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1Cc1ccco1 ZINC000003413301 562935404 /nfs/dbraw/zinc/93/54/04/562935404.db2.gz MZEPDKBDMWFNHX-UHFFFAOYSA-N 0 0 441.603 5.698 50 0 aggregator IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003432103 562935770 /nfs/dbraw/zinc/93/57/70/562935770.db2.gz WYBIRJUZRYSNLK-UHFFFAOYSA-N 0 0 443.503 5.290 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000003468860 562936125 /nfs/dbraw/zinc/93/61/25/562936125.db2.gz KVUOWBRMJLBTPK-UHFFFAOYSA-N 0 0 430.529 5.198 50 0 aggregator IKAARN Cc1ccc(-n2nnnc2S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000003498585 562936298 /nfs/dbraw/zinc/93/62/98/562936298.db2.gz PWJWHVAZLXMVNG-QHCPKHFHSA-N 0 0 425.517 5.168 50 0 aggregator IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-n2nncc2-c2ccco2)cc1 ZINC000003582409 562936466 /nfs/dbraw/zinc/93/64/66/562936466.db2.gz WPNORZGYRGIRGB-UHFFFAOYSA-N 0 0 445.866 5.396 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1cn(C)c3ccccc13)CCC2 ZINC000003581800 562936502 /nfs/dbraw/zinc/93/65/02/562936502.db2.gz MOPWGVGTACZIBN-CYBMUJFWSA-N 0 0 428.579 5.025 50 0 aggregator IKAARN O=C(CSc1ncccc1C(=O)Oc1ccccc1Cl)Nc1ccccc1Cl ZINC000003587829 562936597 /nfs/dbraw/zinc/93/65/97/562936597.db2.gz QFQLGEWCJBGBQM-UHFFFAOYSA-N 0 0 433.316 5.338 50 0 IKAARN CC(C)OC(=O)c1cccnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000003587834 562936598 /nfs/dbraw/zinc/93/65/98/562936598.db2.gz RZOBSVPTCOZHEA-UHFFFAOYSA-N 0 0 432.851 5.050 50 0 IKAARN O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000003625986 562936893 /nfs/dbraw/zinc/93/68/93/562936893.db2.gz IAPHFUHZLDSDOL-UHFFFAOYSA-N 0 0 430.639 5.143 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCCCCC2)cc1 ZINC000003642048 562937269 /nfs/dbraw/zinc/93/72/69/562937269.db2.gz ZDTLMWZMYBRHMP-UHFFFAOYSA-N 0 0 430.957 5.517 50 0 IKAARN Cc1cc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc(C)c1Cl ZINC000003655511 562937460 /nfs/dbraw/zinc/93/74/60/562937460.db2.gz TWFUYXGQWVDIAJ-UHFFFAOYSA-N 0 0 433.891 5.952 50 0 IKAARN COc1ccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc32)cc1 ZINC000003672575 562937651 /nfs/dbraw/zinc/93/76/51/562937651.db2.gz KFJAJDCTCQRIBZ-UHFFFAOYSA-N 0 0 427.838 6.217 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000003865096 562939144 /nfs/dbraw/zinc/93/91/44/562939144.db2.gz ZCJKFYHNWQJUCU-VAXLJGHUSA-N 0 0 430.529 5.220 50 0 IKAARN Cc1cc(C2(c3cc(C)c(O)c4ncccc34)OC(=O)c3ccccc32)c2cccnc2c1O ZINC000003878354 562939215 /nfs/dbraw/zinc/93/92/15/562939215.db2.gz KBNVZXWRVJSFSI-UHFFFAOYSA-N 0 0 448.478 5.273 50 0 IKAARN CC[C@@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 ZINC000004087477 562941678 /nfs/dbraw/zinc/94/16/78/562941678.db2.gz ZYTYGNLZPYWFKU-NXTQRVMMSA-N 0 0 430.662 5.507 50 0 IKAARN CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)c3ccco3)cc2c1 ZINC000004199637 562942604 /nfs/dbraw/zinc/94/26/04/562942604.db2.gz GUJZBPFQXRHHDK-JOCHJYFZSA-N 0 0 445.906 5.871 50 0 IKAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)c3ccco3)cc2c1 ZINC000004199635 562942632 /nfs/dbraw/zinc/94/26/32/562942632.db2.gz GUJZBPFQXRHHDK-QFIPXVFZSA-N 0 0 445.906 5.871 50 0 IKAARN O[C@@]1(c2cccs2)c2cccc(Cl)c2[C@](O)(c2cccs2)c2cccc(Cl)c21 ZINC000006040870 562946003 /nfs/dbraw/zinc/94/60/03/562946003.db2.gz CQLPZIXZXBMJOU-FGZHOGPDSA-N 0 0 445.392 5.998 50 0 IKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](Nc1ccccc1)c1cccnc1 ZINC000006139777 562946255 /nfs/dbraw/zinc/94/62/55/562946255.db2.gz DGWMUNHYXKZTKF-XMMPIXPASA-N 0 0 428.513 7.084 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000006795672 562948409 /nfs/dbraw/zinc/94/84/09/562948409.db2.gz MNOOIRUOAUZKGH-UHFFFAOYSA-N 0 0 426.560 5.857 50 0 IKAARN Cc1ccccc1CNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000006916137 562948606 /nfs/dbraw/zinc/94/86/06/562948606.db2.gz NYRSJZZJYODESA-UHFFFAOYSA-N 0 0 427.548 5.229 50 0 IKAARN COc1ccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)cc1OC ZINC000008583159 562949679 /nfs/dbraw/zinc/94/96/79/562949679.db2.gz AMMQLMGDCNSFCI-SAPNQHFASA-N 0 0 434.495 5.727 50 0 IKAARN Cc1cc(C)cc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)c1 ZINC000008583673 562949781 /nfs/dbraw/zinc/94/97/81/562949781.db2.gz YKQZJTFBPNDPJX-QHCPKHFHSA-N 0 0 449.348 5.250 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3cccc(Cl)c3)cc21 ZINC000008584469 562949926 /nfs/dbraw/zinc/94/99/26/562949926.db2.gz CIBACXIJRXQKFI-UHFFFAOYSA-N 0 0 433.891 5.988 50 0 aggregator IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccccc3Cl)cc21 ZINC000008584470 562950001 /nfs/dbraw/zinc/95/00/01/562950001.db2.gz NHKWNMVAPCUHEE-UHFFFAOYSA-N 0 0 433.891 5.988 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C(C)=O)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000008587060 562950189 /nfs/dbraw/zinc/95/01/89/562950189.db2.gz SFRVFQUOIAHVPE-UHFFFAOYSA-N 0 0 446.894 5.051 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)CC1=O ZINC000008587092 562950198 /nfs/dbraw/zinc/95/01/98/562950198.db2.gz LKNLNPGKMHPIPX-JOCHJYFZSA-N 0 0 433.596 5.628 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)CC1=O ZINC000008587093 562950232 /nfs/dbraw/zinc/95/02/32/562950232.db2.gz LKNLNPGKMHPIPX-QFIPXVFZSA-N 0 0 433.596 5.628 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NC[C@H](C)c1ccccc1)c2Sc1ccc(C)cc1 ZINC000008587675 562950380 /nfs/dbraw/zinc/95/03/80/562950380.db2.gz MDOOZHCOPKNZTO-SFHVURJKSA-N 0 0 430.573 6.170 50 0 aggregator IKAARN Cc1nn(CCCC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2c3ccccc3sc21 ZINC000008587794 562950480 /nfs/dbraw/zinc/95/04/80/562950480.db2.gz HGIQFZKIOZMFMU-UHFFFAOYSA-N 0 0 445.466 5.357 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)Nc5cccc(OC)c5)cc4sc3n2)cc1 ZINC000008588660 562950763 /nfs/dbraw/zinc/95/07/63/562950763.db2.gz FYWIEQGCYMFOLH-UHFFFAOYSA-N 0 0 429.501 5.486 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)Nc5ccc(C)c(C)c5)cc4sc3n2)cc1 ZINC000008588690 562950796 /nfs/dbraw/zinc/95/07/96/562950796.db2.gz DNNWJSBWDLAPGZ-UHFFFAOYSA-N 0 0 427.529 6.094 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588812 562950855 /nfs/dbraw/zinc/95/08/55/562950855.db2.gz BOBDEULPXFSEPL-OAQYLSRUSA-N 0 0 441.531 6.163 50 0 IKAARN COc1cccc(-c2cn3c4ccc(C(=O)NCCc5ccccc5)cc4sc3n2)c1 ZINC000008588742 562950897 /nfs/dbraw/zinc/95/08/97/562950897.db2.gz FXNDRLMQMRHAMP-UHFFFAOYSA-N 0 0 427.529 5.197 50 0 biogenic IKAARN CCOc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000008588915 562950964 /nfs/dbraw/zinc/95/09/64/562950964.db2.gz SXQYTOIPZDFLMY-UHFFFAOYSA-N 0 0 442.559 5.693 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2cccc(C)c2C)nn1 ZINC000008589307 562951129 /nfs/dbraw/zinc/95/11/29/562951129.db2.gz VOYQHYZLGSJBRP-UHFFFAOYSA-N 0 0 446.601 5.923 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000008589230 562951141 /nfs/dbraw/zinc/95/11/41/562951141.db2.gz YFOFIEJXZFILTC-LJAQVGFWSA-N 0 0 448.009 5.076 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 ZINC000008589237 562951151 /nfs/dbraw/zinc/95/11/51/562951151.db2.gz ATAHQUPOQNXSPJ-MUUNZHRXSA-N 0 0 436.360 5.008 50 0 IKAARN Cc1cccc(NC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c1C ZINC000008589556 562951252 /nfs/dbraw/zinc/95/12/52/562951252.db2.gz DPITWQMDKWBMSX-UHFFFAOYSA-N 0 0 449.620 5.247 50 0 IKAARN O=C(Cn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCCCC1 ZINC000008589667 562951286 /nfs/dbraw/zinc/95/12/86/562951286.db2.gz VGNRRGUSUKZOJU-UHFFFAOYSA-N 0 0 432.511 5.965 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3c(F)cccc3F)cc21 ZINC000008589791 562951336 /nfs/dbraw/zinc/95/13/36/562951336.db2.gz ORKMKNUXGNFZGB-UHFFFAOYSA-N 0 0 435.426 5.613 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 ZINC000008589832 562951369 /nfs/dbraw/zinc/95/13/69/562951369.db2.gz JIQPDMPSHHWKPM-UHFFFAOYSA-N 0 0 435.321 6.633 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc(C)c1Cl ZINC000008589872 562951397 /nfs/dbraw/zinc/95/13/97/562951397.db2.gz CENBMRDLLOLBEE-UHFFFAOYSA-N 0 0 441.314 6.436 50 0 IKAARN COc1ccc(-c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000008590046 562951400 /nfs/dbraw/zinc/95/14/00/562951400.db2.gz KJXSRBIKOBPHJZ-UHFFFAOYSA-N 0 0 448.242 5.853 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCCCC2)C1 ZINC000008589881 562951404 /nfs/dbraw/zinc/95/14/04/562951404.db2.gz FWSWLWFZKPBCGV-MRXNPFEDSA-N 0 0 442.600 5.917 50 0 IKAARN Cc1cccc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1C ZINC000008589905 562951408 /nfs/dbraw/zinc/95/14/08/562951408.db2.gz LIDVQEHFVHGDPD-UHFFFAOYSA-N 0 0 448.950 5.429 50 0 IKAARN O=C(Cn1c(SCc2cccc(F)c2)nc2cccnc21)Nc1ccc(F)c(Cl)c1 ZINC000008590187 562951474 /nfs/dbraw/zinc/95/14/74/562951474.db2.gz IVIGHKVTBFYCAH-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN O=C(CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008590333 562951620 /nfs/dbraw/zinc/95/16/20/562951620.db2.gz ZCIZWNVQUVBHGN-UHFFFAOYSA-N 0 0 447.800 5.145 50 0 IKAARN Cc1cc(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2ccccc12 ZINC000008590449 562951710 /nfs/dbraw/zinc/95/17/10/562951710.db2.gz ZCUKATMMNABWJT-UHFFFAOYSA-N 0 0 448.617 6.090 50 0 aggregator IKAARN COc1ccccc1CC(=O)Nc1ccc2nc(Nc3cccc(Cl)c3)cc(C)c2c1 ZINC000008590704 562951779 /nfs/dbraw/zinc/95/17/79/562951779.db2.gz WNCYFNCSDOVZHL-UHFFFAOYSA-N 0 0 431.923 6.130 50 0 IKAARN COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3cccc(C(F)(F)F)c3)o2)c1 ZINC000008590789 562951903 /nfs/dbraw/zinc/95/19/03/562951903.db2.gz HPEAWXDLOMUHML-UHFFFAOYSA-N 0 0 439.393 5.683 50 0 IKAARN CCc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2)cc1 ZINC000008591100 562951917 /nfs/dbraw/zinc/95/19/17/562951917.db2.gz PWSSRJMHVVGOKW-UHFFFAOYSA-N 0 0 429.545 5.980 50 0 IKAARN COc1ccc(NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)cc1OC ZINC000008591261 562952026 /nfs/dbraw/zinc/95/20/26/562952026.db2.gz IYRKCJPHRBLPLV-UHFFFAOYSA-N 0 0 447.922 6.210 50 0 IKAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2C2CCCC2)cc1 ZINC000008591552 562952059 /nfs/dbraw/zinc/95/20/59/562952059.db2.gz LIQHHDIXNFLJOB-NRFANRHFSA-N 0 0 439.943 5.011 50 0 IKAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2C2CCCC2)cc1 ZINC000008591550 562952084 /nfs/dbraw/zinc/95/20/84/562952084.db2.gz LIQHHDIXNFLJOB-OAQYLSRUSA-N 0 0 439.943 5.011 50 0 IKAARN Cc1ccc(CSc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000008591744 562952158 /nfs/dbraw/zinc/95/21/58/562952158.db2.gz YXPAZOUBNFCRJQ-UHFFFAOYSA-N 0 0 427.572 5.837 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2ccc(C)c(C)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000008592346 562952294 /nfs/dbraw/zinc/95/22/94/562952294.db2.gz VCDLISBRKNZSHV-QHCPKHFHSA-N 0 0 444.531 5.047 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c1 ZINC000008592242 562952300 /nfs/dbraw/zinc/95/23/00/562952300.db2.gz HKVAUGDKFNKOSA-UHFFFAOYSA-N 0 0 444.487 5.499 50 0 IKAARN Clc1cccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)c1 ZINC000008592582 562952333 /nfs/dbraw/zinc/95/23/33/562952333.db2.gz VDEYJPIMQZZQEH-UHFFFAOYSA-N 0 0 439.812 7.078 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)nc1CSc1ccc(C)cc1 ZINC000008592499 562952375 /nfs/dbraw/zinc/95/23/75/562952375.db2.gz BTBZIUWBGOQHOV-UHFFFAOYSA-N 0 0 442.584 7.120 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)nc1CSc1ccccc1 ZINC000008592724 562952390 /nfs/dbraw/zinc/95/23/90/562952390.db2.gz HPOZKCUMIHNQGV-UHFFFAOYSA-N 0 0 428.557 6.811 50 0 aggregator IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000008592800 562952421 /nfs/dbraw/zinc/95/24/21/562952421.db2.gz LCZGYPJRUQOMSS-YTTGMZPUSA-N 0 0 444.556 5.196 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000008592830 562952486 /nfs/dbraw/zinc/95/24/86/562952486.db2.gz PSCTYZHBBOSYPY-JGCGQSQUSA-N 0 0 448.519 5.027 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)cc1F ZINC000008593064 562952544 /nfs/dbraw/zinc/95/25/44/562952544.db2.gz VMCHBZMGAZPOGE-UHFFFAOYSA-N 0 0 441.325 6.426 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)cc(OC)c1 ZINC000008593122 562952549 /nfs/dbraw/zinc/95/25/49/562952549.db2.gz WATZYMCQJQKFEU-UHFFFAOYSA-N 0 0 444.487 5.499 50 0 IKAARN Cc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)c1 ZINC000008594677 562953064 /nfs/dbraw/zinc/95/30/64/562953064.db2.gz MHMIMIBQVVEMIJ-UHFFFAOYSA-N 0 0 443.528 5.512 50 0 aggregator IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1OC ZINC000008594657 562953090 /nfs/dbraw/zinc/95/30/90/562953090.db2.gz AUBNNIQCUKUBPR-UHFFFAOYSA-N 0 0 445.544 5.492 50 0 IKAARN Cc1ccccc1CSc1nc2n(n1)[C@H](CC(C)C)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000008594870 562953138 /nfs/dbraw/zinc/95/31/38/562953138.db2.gz XPHWGJDYVOHWLU-OAQYLSRUSA-N 0 0 447.608 5.804 50 0 IKAARN COc1cccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NC3CCCC3)[nH]2)c1 ZINC000008595060 562953294 /nfs/dbraw/zinc/95/32/94/562953294.db2.gz BGUILJZDEPOPLZ-UHFFFAOYSA-N 0 0 425.529 5.042 50 0 IKAARN C=Cc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000008595222 562953359 /nfs/dbraw/zinc/95/33/59/562953359.db2.gz YFSUZNLARLUKKP-UHFFFAOYSA-N 0 0 426.516 5.329 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2cccs2)cc1 ZINC000008595643 562953648 /nfs/dbraw/zinc/95/36/48/562953648.db2.gz JAXXKTOAKSWYNZ-QFIPXVFZSA-N 0 0 429.501 5.065 50 0 IKAARN O=C(Cn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCCCCC1 ZINC000008596100 562953744 /nfs/dbraw/zinc/95/37/44/562953744.db2.gz LDAZAWDFQRLIHP-UHFFFAOYSA-N 0 0 446.538 6.355 50 0 IKAARN COc1ccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)cc1Cl ZINC000008596556 562953821 /nfs/dbraw/zinc/95/38/21/562953821.db2.gz UQKGZKUJWHXOPO-UHFFFAOYSA-N 0 0 447.387 6.160 50 0 IKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCc1ccccc1Cl ZINC000008596693 562953839 /nfs/dbraw/zinc/95/38/39/562953839.db2.gz FFBULTBAXGXSIR-UHFFFAOYSA-N 0 0 431.388 5.829 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CSc1c2c(nc3ccccc31)CCC2 ZINC000008596552 562953849 /nfs/dbraw/zinc/95/38/49/562953849.db2.gz GQHAYTRJSGOKRA-UHFFFAOYSA-N 0 0 427.367 5.525 50 0 aggregator IKAARN C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000008598025 562954179 /nfs/dbraw/zinc/95/41/79/562954179.db2.gz LOZSJBABRUPMJJ-INIZCTEOSA-N 0 0 425.985 5.367 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)c1 ZINC000008598201 562954183 /nfs/dbraw/zinc/95/41/83/562954183.db2.gz DHQSGLBDQYAXKN-UHFFFAOYSA-N 0 0 445.519 5.293 50 0 IKAARN C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000008598021 562954186 /nfs/dbraw/zinc/95/41/86/562954186.db2.gz LOZSJBABRUPMJJ-MRXNPFEDSA-N 0 0 425.985 5.367 50 0 IKAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000008598416 562954252 /nfs/dbraw/zinc/95/42/52/562954252.db2.gz RMFSFVXUEOZZPL-UHFFFAOYSA-N 0 0 446.938 5.440 50 0 IKAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC ZINC000008598701 562954364 /nfs/dbraw/zinc/95/43/64/562954364.db2.gz SNZGBKRAMWANTG-UHFFFAOYSA-N 0 0 442.519 5.184 50 0 IKAARN COc1ccc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1Cl ZINC000008598619 562954375 /nfs/dbraw/zinc/95/43/75/562954375.db2.gz JNGXKNMDVWRABO-UHFFFAOYSA-N 0 0 448.954 5.555 50 0 IKAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3cc(C)ccc3C)c(C)n2n1 ZINC000008598612 562954380 /nfs/dbraw/zinc/95/43/80/562954380.db2.gz NSIIRFHNKLGANP-UHFFFAOYSA-N 0 0 428.536 5.210 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12 ZINC000008598787 562954440 /nfs/dbraw/zinc/95/44/40/562954440.db2.gz QVZPCAWKNIILGO-UHFFFAOYSA-N 0 0 430.939 5.498 50 0 IKAARN COc1ccccc1C(=O)Nc1cc(-c2cccc(Br)c2)nn1-c1ccccc1 ZINC000008598868 562954497 /nfs/dbraw/zinc/95/44/97/562954497.db2.gz CPDMYQGRVRLZRB-UHFFFAOYSA-N 0 0 448.320 5.563 50 0 aggregator IKAARN COc1ccccc1-c1cc(NC(=O)COc2ccc(C)c(C)c2)n(-c2ccccc2)n1 ZINC000008599066 562954555 /nfs/dbraw/zinc/95/45/55/562954555.db2.gz BMSWCTCCHTUAFD-UHFFFAOYSA-N 0 0 427.504 5.182 50 0 aggregator IKAARN CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 ZINC000008599316 562954642 /nfs/dbraw/zinc/95/46/42/562954642.db2.gz KQJQCBGJJHTWKK-UHFFFAOYSA-N 0 0 442.588 5.252 50 0 IKAARN CCn1c(=O)c2cc(C(=O)Nc3cc(C)c(Cl)cc3OC)sc2c2ccccc21 ZINC000008599363 562954705 /nfs/dbraw/zinc/95/47/05/562954705.db2.gz IATZNPKFZQRJPS-UHFFFAOYSA-N 0 0 426.925 5.459 50 0 IKAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)ccc3n2)cc1 ZINC000008599458 562954718 /nfs/dbraw/zinc/95/47/18/562954718.db2.gz CGWOILFKGMLTEX-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2cccc(NC(=O)c3nsc4ccccc43)c2)cc1 ZINC000008599620 562954792 /nfs/dbraw/zinc/95/47/92/562954792.db2.gz OBIYXSOQFJKAGN-UHFFFAOYSA-N 0 0 445.544 5.266 50 0 IKAARN CCOc1ccc(CNC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)cc1 ZINC000008599787 562954903 /nfs/dbraw/zinc/95/49/03/562954903.db2.gz NOYMWRKOAHCYFB-UHFFFAOYSA-N 0 0 440.996 5.574 50 0 IKAARN O=C(CSCc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000008599810 562954907 /nfs/dbraw/zinc/95/49/07/562954907.db2.gz OQHADESYOQZULH-AREMUKBSSA-N 0 0 448.538 5.854 50 0 aggregator IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2cccc(C)c2)c1 ZINC000008601084 562955171 /nfs/dbraw/zinc/95/51/71/562955171.db2.gz OCWZIFGNFQURRN-UHFFFAOYSA-N 0 0 427.529 5.476 50 0 IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2C)c1 ZINC000008601083 562955177 /nfs/dbraw/zinc/95/51/77/562955177.db2.gz SAZHOKRGYUCIBS-UHFFFAOYSA-N 0 0 427.529 5.476 50 0 IKAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000008601115 562955190 /nfs/dbraw/zinc/95/51/90/562955190.db2.gz LVQJTRWXDWTTNG-UHFFFAOYSA-N 0 0 445.931 5.495 50 0 IKAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2)cc1 ZINC000008601113 562955198 /nfs/dbraw/zinc/95/51/98/562955198.db2.gz ZANSHECGGGFCDS-UHFFFAOYSA-N 0 0 427.529 5.558 50 0 IKAARN C[C@H](NC(=O)c1ccc(N2Cc3ccccc3Oc3ncccc32)s1)c1ccccc1 ZINC000008602780 562955874 /nfs/dbraw/zinc/95/58/74/562955874.db2.gz DQXSWQKNKYHFJN-KRWDZBQOSA-N 0 0 427.529 6.078 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603770 562956045 /nfs/dbraw/zinc/95/60/45/562956045.db2.gz PBXNPPDZZDWONF-UHFFFAOYSA-N 0 0 447.966 5.149 50 0 IKAARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008603884 562956163 /nfs/dbraw/zinc/95/61/63/562956163.db2.gz XLPZFLXDEIXISR-UHFFFAOYSA-N 0 0 432.495 5.979 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2F)c(=O)n1-c1ccccc1Cl ZINC000008603915 562956169 /nfs/dbraw/zinc/95/61/69/562956169.db2.gz YHCJKEWSPNZIHI-UHFFFAOYSA-N 0 0 436.895 5.208 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c1 ZINC000008603908 562956178 /nfs/dbraw/zinc/95/61/78/562956178.db2.gz CAIUOCZDPTWFJA-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(=O)c2sc3ccccc3c2n(Cc2ccccc2)c1=O ZINC000008603923 562956182 /nfs/dbraw/zinc/95/61/82/562956182.db2.gz UFSRKQFNSMSLJJ-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c1OC ZINC000008603907 562956185 /nfs/dbraw/zinc/95/61/85/562956185.db2.gz YOCXDDOHYDFLAU-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603998 562956235 /nfs/dbraw/zinc/95/62/35/562956235.db2.gz DRPXIGZHBISZAU-UHFFFAOYSA-N 0 0 433.939 5.107 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(Cl)c1)[C@@H]3c1ccc(F)cc1 ZINC000008604209 562956335 /nfs/dbraw/zinc/95/63/35/562956335.db2.gz OMBJYXMBQDJSMW-XMMPIXPASA-N 0 0 434.898 5.757 50 0 aggregator IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1C ZINC000008604510 562956344 /nfs/dbraw/zinc/95/63/44/562956344.db2.gz PUZVPZBFRGRCMG-UHFFFAOYSA-N 0 0 440.927 5.249 50 0 IKAARN CCOc1ccc(Nc2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008605046 562956585 /nfs/dbraw/zinc/95/65/85/562956585.db2.gz ACLJHFKYBFQIBP-UHFFFAOYSA-N 0 0 448.544 5.527 50 0 IKAARN Cc1c(NC(=O)Nc2ccc(C)cc2Cl)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000008605170 562956622 /nfs/dbraw/zinc/95/66/22/562956622.db2.gz VLKFTFQSVBJNRU-NSHDSACASA-N 0 0 430.961 5.345 50 0 IKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccc(C)cc4)c3c2c1 ZINC000008605846 562956864 /nfs/dbraw/zinc/95/68/64/562956864.db2.gz WKMNOUHLLGYAJR-UHFFFAOYSA-N 0 0 434.543 6.069 50 0 IKAARN COc1ccc(-c2nn(CC(=O)Nc3ccccc3F)c3c2cnc2ccc(F)cc32)cc1 ZINC000008605878 562956872 /nfs/dbraw/zinc/95/68/72/562956872.db2.gz NMAVMORAMKBPDQ-UHFFFAOYSA-N 0 0 444.441 5.177 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccc(F)cc1 ZINC000008606459 562957005 /nfs/dbraw/zinc/95/70/05/562957005.db2.gz BODLJCWYIGGXEO-IBGZPJMESA-N 0 0 429.495 5.165 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC000008606589 562957099 /nfs/dbraw/zinc/95/70/99/562957099.db2.gz AGHUMTRLJJPBLP-IBGZPJMESA-N 0 0 445.950 5.657 50 0 IKAARN CCOc1ccc(CNC(=O)c2sc3ncnc(N(C)C4CCCCC4)c3c2C)cc1 ZINC000008607193 562957274 /nfs/dbraw/zinc/95/72/74/562957274.db2.gz KZSDOHXRLMYCPV-UHFFFAOYSA-N 0 0 438.597 5.097 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NCc2ccccc2)c2c(n[nH]c2-c2ccc(C)cc2)n1 ZINC000008607549 562957333 /nfs/dbraw/zinc/95/73/33/562957333.db2.gz QPLPPIVXFZEKLT-UHFFFAOYSA-N 0 0 448.526 5.539 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1C)[C@H]2c1ccc(OC)cc1 ZINC000008609111 562957623 /nfs/dbraw/zinc/95/76/23/562957623.db2.gz IVRSVIIOJIZXPF-DEOSSOPVSA-N 0 0 434.605 6.424 50 0 aggregator IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1C)[C@@H]2c1ccc(OC)cc1 ZINC000008609110 562957624 /nfs/dbraw/zinc/95/76/24/562957624.db2.gz IVRSVIIOJIZXPF-XMMPIXPASA-N 0 0 434.605 6.424 50 0 aggregator IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)[C@H]2c1ccccc1 ZINC000008609099 562957635 /nfs/dbraw/zinc/95/76/35/562957635.db2.gz PSVVCZLVSPZYCW-NRFANRHFSA-N 0 0 444.522 6.817 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000008609083 562957636 /nfs/dbraw/zinc/95/76/36/562957636.db2.gz SYQRWLSYPXNITG-UHFFFAOYSA-N 0 0 442.563 5.478 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccc(F)cc2)CCCC4)cc1 ZINC000008609139 562957708 /nfs/dbraw/zinc/95/77/08/562957708.db2.gz IWPYGDIVKZYSMT-QHCPKHFHSA-N 0 0 436.552 5.954 50 0 aggregator IKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000008609151 562957716 /nfs/dbraw/zinc/95/77/16/562957716.db2.gz LKNXSPYYUKRCCK-JOCHJYFZSA-N 0 0 442.506 6.224 50 0 IKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1c(C)cc(C)cc1C)CCCC3 ZINC000008610058 562958100 /nfs/dbraw/zinc/95/81/00/562958100.db2.gz IFQMSWBIGIVWAU-UHFFFAOYSA-N 0 0 438.593 5.690 50 0 IKAARN Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000008610879 562958338 /nfs/dbraw/zinc/95/83/38/562958338.db2.gz PZFNOKROBKULJM-INIZCTEOSA-N 0 0 442.962 5.755 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(CC)O4)cc1 ZINC000008611328 562958487 /nfs/dbraw/zinc/95/84/87/562958487.db2.gz XWLGCAXNGOOSPL-VWLOTQADSA-N 0 0 435.476 5.304 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCc3ccccc3Cl)c(C)c12 ZINC000008611380 562958578 /nfs/dbraw/zinc/95/85/78/562958578.db2.gz PQGGFANFDIDLHF-UHFFFAOYSA-N 0 0 446.982 5.557 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(-c3cccs3)no2)cc1 ZINC000008612147 562958978 /nfs/dbraw/zinc/95/89/78/562958978.db2.gz JVRQRZIIBMHFBH-UHFFFAOYSA-N 0 0 445.573 5.570 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)cc1 ZINC000008612305 562959176 /nfs/dbraw/zinc/95/91/76/562959176.db2.gz NVIVEBSDYRPERK-UHFFFAOYSA-N 0 0 445.972 5.222 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 ZINC000008612325 562959185 /nfs/dbraw/zinc/95/91/85/562959185.db2.gz DRQGONTYYZOTDX-UHFFFAOYSA-N 0 0 447.512 5.567 50 0 IKAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1cccc(Cl)c1 ZINC000008612483 562959245 /nfs/dbraw/zinc/95/92/45/562959245.db2.gz FOJXFMOMDPJUPE-UHFFFAOYSA-N 0 0 448.858 5.678 50 0 aggregator IKAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1ccc(C)cc1 ZINC000008612499 562959246 /nfs/dbraw/zinc/95/92/46/562959246.db2.gz QXVPYHILRHPACT-UHFFFAOYSA-N 0 0 428.440 5.333 50 0 aggregator IKAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1ccc(Cl)cc1 ZINC000008612490 562959262 /nfs/dbraw/zinc/95/92/62/562959262.db2.gz VGOIUPPSDPDDOP-UHFFFAOYSA-N 0 0 448.858 5.678 50 0 aggregator IKAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 ZINC000008613870 562959477 /nfs/dbraw/zinc/95/94/77/562959477.db2.gz SOHIGRBDOAXAHK-UHFFFAOYSA-N 0 0 444.944 5.732 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 ZINC000008613958 562959492 /nfs/dbraw/zinc/95/94/92/562959492.db2.gz FBKJGSUTRCZIPH-UHFFFAOYSA-N 0 0 434.561 5.033 50 0 aggregator IKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(Br)ccc3c2C)cc1 ZINC000008614085 562959527 /nfs/dbraw/zinc/95/95/27/562959527.db2.gz ZAPSBVUUBCFHFI-UHFFFAOYSA-N 0 0 442.269 5.205 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000008614160 562959561 /nfs/dbraw/zinc/95/95/61/562959561.db2.gz GHFZLIUBUSEQLW-UHFFFAOYSA-N 0 0 449.576 5.307 50 0 IKAARN CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(OC)c3)c3ccccn32)cc1 ZINC000008614281 562959565 /nfs/dbraw/zinc/95/95/65/562959565.db2.gz UPYAMTDOXBTKMI-UHFFFAOYSA-N 0 0 441.531 5.356 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000008614221 562959594 /nfs/dbraw/zinc/95/95/94/562959594.db2.gz GWACHMVIAMKPCG-UHFFFAOYSA-N 0 0 426.944 5.193 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000008619579 562959924 /nfs/dbraw/zinc/95/99/24/562959924.db2.gz DSKTXPWJOWLSEC-UHFFFAOYSA-N 0 0 425.557 5.210 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2ccccc2OC)nn1-c1ccccc1 ZINC000008626905 562960001 /nfs/dbraw/zinc/96/00/01/562960001.db2.gz XRXYLRANMXOHTD-QHCPKHFHSA-N 0 0 427.504 5.344 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000008654566 562960193 /nfs/dbraw/zinc/96/01/93/562960193.db2.gz ZNLCGGAWWQQTOE-UHFFFAOYSA-N 0 0 432.274 5.414 50 0 IKAARN COc1cccc(C(=O)N2c3nc(-c4ccco4)nn3C3(CCCCC3)[C@@H]3CCCC[C@@H]32)c1 ZINC000008654778 562960264 /nfs/dbraw/zinc/96/02/64/562960264.db2.gz SGMIJUABQZFZND-RTWAWAEBSA-N 0 0 446.551 5.425 50 0 biogenic IKAARN CCOc1ccccc1NC(=O)c1sc(-n2nc(C)c(CCC(C)C)c2C)nc1C ZINC000008654828 562960290 /nfs/dbraw/zinc/96/02/90/562960290.db2.gz GVQZVKJLBJMAEE-UHFFFAOYSA-N 0 0 426.586 5.494 50 0 IKAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OC(=O)c1ccccc1C ZINC000008673523 562961216 /nfs/dbraw/zinc/96/12/16/562961216.db2.gz HIUAKGFWILBIFX-UHFFFAOYSA-N 0 0 444.483 5.622 50 0 IKAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OC(=O)c1cccc(C)c1 ZINC000008673525 562961219 /nfs/dbraw/zinc/96/12/19/562961219.db2.gz UQEGOOWEBZONHZ-UHFFFAOYSA-N 0 0 444.483 5.622 50 0 IKAARN Cc1nc(-n2nc(C)c(Cc3ccccc3Cl)c2C)sc1C(=O)N1CCCC[C@H]1C ZINC000008673594 562961293 /nfs/dbraw/zinc/96/12/93/562961293.db2.gz JJLCHGRGLPRPAW-CQSZACIVSA-N 0 0 443.016 5.513 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000008680385 562961506 /nfs/dbraw/zinc/96/15/06/562961506.db2.gz JNHUBBLEJHRNQW-DEOSSOPVSA-N 0 0 447.554 5.195 50 0 IKAARN COc1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(OC)cc3)c(C)nc2C)cc1 ZINC000008684506 562962168 /nfs/dbraw/zinc/96/21/68/562962168.db2.gz QOHRLGVTKHZANW-UHFFFAOYSA-N 0 0 435.484 5.004 50 0 IKAARN COc1cccc(NC(=O)Nc2cc(NC(=O)Nc3cccc(OC)c3)c(C)nc2C)c1 ZINC000008684511 562962170 /nfs/dbraw/zinc/96/21/70/562962170.db2.gz LZSVULOZHHFNDH-UHFFFAOYSA-N 0 0 435.484 5.004 50 0 IKAARN COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)C2)c(OC(C)=O)c1 ZINC000008684631 562962219 /nfs/dbraw/zinc/96/22/19/562962219.db2.gz NHOPCFDQUMPFTB-BEWKRWDNSA-N 0 0 440.499 5.012 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)Sc1nc3ccccc3n1C)oc1ccccc12 ZINC000008684868 562962275 /nfs/dbraw/zinc/96/22/75/562962275.db2.gz ZBXPOEZBBLPVLJ-AWEZNQCLSA-N 0 0 431.517 5.601 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2ccco2)cc1 ZINC000008685201 562962403 /nfs/dbraw/zinc/96/24/03/562962403.db2.gz NBWNCWLFFNCVBF-UHFFFAOYSA-N 0 0 433.577 5.828 50 0 aggregator IKAARN CNC(=S)Nc1ccc(C2(c3ccc(NC(=S)NC)c(C)c3)CCCCC2)cc1C ZINC000008685322 562962450 /nfs/dbraw/zinc/96/24/50/562962450.db2.gz FMSZBPBSABPIBC-UHFFFAOYSA-N 0 0 440.682 5.386 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)nc1C ZINC000008686053 562962628 /nfs/dbraw/zinc/96/26/28/562962628.db2.gz FCHAMQYISDHWJM-SJTFIMDTSA-N 0 0 442.588 5.612 50 0 IKAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)Nc2ncc(Cl)cc2Cl)c1 ZINC000008686283 562962708 /nfs/dbraw/zinc/96/27/08/562962708.db2.gz MMKPVKCGCNPSQC-UHFFFAOYSA-N 0 0 443.359 5.767 50 0 aggregator IKAARN Cc1c(Cl)cccc1NC(=O)COC(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000008686140 562962746 /nfs/dbraw/zinc/96/27/46/562962746.db2.gz NUOQDPHFZVXODB-UHFFFAOYSA-N 0 0 447.922 5.102 50 0 IKAARN Cc1c(Nc2nc3ccccc3nc2Nc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008687686 562963045 /nfs/dbraw/zinc/96/30/45/562963045.db2.gz SWFUKDURISQBEP-UHFFFAOYSA-N 0 0 436.519 5.223 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000008768892 562963954 /nfs/dbraw/zinc/96/39/54/562963954.db2.gz QNSIWIBYBQXTLA-OAHLLOKOSA-N 0 0 438.980 5.960 50 0 IKAARN O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000008781673 562964158 /nfs/dbraw/zinc/96/41/58/562964158.db2.gz VNRLFXIUGYIZQF-UHFFFAOYSA-N 0 0 439.129 6.054 50 0 IKAARN O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCc1ccccc1Cl ZINC000008801966 562964273 /nfs/dbraw/zinc/96/42/73/562964273.db2.gz FFOWFJKIYQNNFM-UHFFFAOYSA-N 0 0 441.969 5.005 50 0 aggregator IKAARN Cc1cc(C)cc(OCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n32)c1 ZINC000008831162 562964942 /nfs/dbraw/zinc/96/49/42/562964942.db2.gz NCUDVNZAZRQKIJ-UHFFFAOYSA-N 0 0 448.592 5.170 50 0 aggregator IKAARN Cc1ccc(-n2c(/C=C/c3ccc(Br)s3)nc3ccccc3c2=O)cc1C ZINC000008860359 562965409 /nfs/dbraw/zinc/96/54/09/562965409.db2.gz GELHDQNAXCYWIT-ZRDIBKRKSA-N 0 0 437.362 5.997 50 0 IKAARN Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 ZINC000009057712 562966779 /nfs/dbraw/zinc/96/67/79/562966779.db2.gz PREKDTJSKUFLIB-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN COc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C(F)(F)F)cc1 ZINC000009187780 562968016 /nfs/dbraw/zinc/96/80/16/562968016.db2.gz VZSFBNGRFPTJNQ-UHFFFAOYSA-N 0 0 440.421 6.056 50 0 IKAARN CSc1nc2ccc3nc(NC(=O)c4ccc(Oc5ccccc5)cc4)sc3c2s1 ZINC000009404748 562970101 /nfs/dbraw/zinc/97/01/01/562970101.db2.gz LDTRAWGWTOUCKH-UHFFFAOYSA-N 0 0 449.582 6.673 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433033 562970845 /nfs/dbraw/zinc/97/08/45/562970845.db2.gz XQHTUCKCZBJKBT-RPWUZVMVSA-N 0 0 432.589 5.886 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cn2)[C@H]1c1cccs1 ZINC000009433231 562970870 /nfs/dbraw/zinc/97/08/70/562970870.db2.gz DODRHCDYHZWWQW-NHCUHLMSSA-N 0 0 439.968 5.372 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000009433290 562970919 /nfs/dbraw/zinc/97/09/19/562970919.db2.gz IIZICNJFHVCTGE-ZEQRLZLVSA-N 0 0 446.572 5.526 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009433499 562970927 /nfs/dbraw/zinc/97/09/27/562970927.db2.gz UXZZPAVIPKXYHQ-DQEYMECFSA-N 0 0 444.600 6.173 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433260 562970928 /nfs/dbraw/zinc/97/09/28/562970928.db2.gz LGNTZQIHXXXLLH-PKTZIBPZSA-N 0 0 434.561 5.332 50 0 IKAARN COc1ccc(-c2cn(-c3ccc(OC)cc3)c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000009529397 562972959 /nfs/dbraw/zinc/97/29/59/562972959.db2.gz LKWDBJYXNAWPOJ-UHFFFAOYSA-N 0 0 445.544 5.287 50 0 IKAARN O=C(Nc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1)c1cccs1 ZINC000009671108 562975145 /nfs/dbraw/zinc/97/51/45/562975145.db2.gz GSQKTZNGNVNNDE-UHFFFAOYSA-N 0 0 448.544 5.314 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1)c1cccs1 ZINC000009712504 562975701 /nfs/dbraw/zinc/97/57/01/562975701.db2.gz CGTNEZPDDQEFRD-LJQANCHMSA-N 0 0 447.585 5.978 50 0 IKAARN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000009761282 562976614 /nfs/dbraw/zinc/97/66/14/562976614.db2.gz PZYKPTSLCKKASA-HSZRJFAPSA-N 0 0 431.879 5.194 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4O)c3n2)cc1 ZINC000009775289 562976669 /nfs/dbraw/zinc/97/66/69/562976669.db2.gz AHNIINOUSNQYEO-UHFFFAOYSA-N 0 0 446.816 5.335 50 0 IKAARN O=C(NCCn1cc(SCc2ccc(Cl)cc2)c2ccccc21)c1cccs1 ZINC000009775864 562976767 /nfs/dbraw/zinc/97/67/67/562976767.db2.gz KFNUSSWSEKJUET-UHFFFAOYSA-N 0 0 426.994 6.079 50 0 IKAARN COc1ccc(C(=O)NCCn2cc(SCc3cc(C)ccc3C)c3ccccc32)cc1 ZINC000009777573 562976768 /nfs/dbraw/zinc/97/67/68/562976768.db2.gz MCJAMWVIGKSOGN-UHFFFAOYSA-N 0 0 444.600 5.989 50 0 IKAARN CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)sc2c1 ZINC000009829677 562977319 /nfs/dbraw/zinc/97/73/19/562977319.db2.gz WUQOXZUTRGGMCG-UHFFFAOYSA-N 0 0 429.954 5.652 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1C ZINC000009857842 562977399 /nfs/dbraw/zinc/97/73/99/562977399.db2.gz DSZJMOWOFQTWIY-DNQXCXABSA-N 0 0 432.589 5.940 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1C ZINC000009857844 562977409 /nfs/dbraw/zinc/97/74/09/562977409.db2.gz DSZJMOWOFQTWIY-BJKOFHAPSA-N 0 0 432.589 5.940 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009857817 562977428 /nfs/dbraw/zinc/97/74/28/562977428.db2.gz JZSOQKFLFLVEQU-RPWUZVMVSA-N 0 0 430.573 5.919 50 0 IKAARN C[C@]1(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1(Br)Br ZINC000009971467 562978140 /nfs/dbraw/zinc/97/81/40/562978140.db2.gz VKYLIJKMBHFFAO-GOSISDBHSA-N 0 0 437.175 5.112 50 0 IKAARN CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)sc2c1 ZINC000010381585 562978713 /nfs/dbraw/zinc/97/87/13/562978713.db2.gz CEDBYBJTKDGUIL-UHFFFAOYSA-N 0 0 446.985 5.344 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000012783918 562983174 /nfs/dbraw/zinc/98/31/74/562983174.db2.gz YACGOJNYKWVWAJ-UHFFFAOYSA-N 0 0 440.612 7.268 50 0 IKAARN O=C(CSc1nccn1-c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013284034 562985646 /nfs/dbraw/zinc/98/56/46/562985646.db2.gz DPKCXMQSAIHAOS-UHFFFAOYSA-N 0 0 429.826 5.414 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCN(C)C2 ZINC000015823441 563018168 /nfs/dbraw/zinc/01/81/68/563018168.db2.gz DDVQVSDNJLJGNC-UHFFFAOYSA-N 0 0 434.970 5.033 50 0 IKAARN COc1cccc(CN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)c1 ZINC000015933805 563018411 /nfs/dbraw/zinc/01/84/11/563018411.db2.gz YIZWAOYYTIISGD-UHFFFAOYSA-N 0 0 442.515 5.200 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc(C[S@@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000015943579 563020065 /nfs/dbraw/zinc/02/00/65/563020065.db2.gz OPUNGWHGAXWULR-GDLZYMKVSA-N 0 0 448.009 5.076 50 0 IKAARN Cc1c(C(=O)NCCCCc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000023441888 563027252 /nfs/dbraw/zinc/02/72/52/563027252.db2.gz UTRSJVPYSZFEMM-UHFFFAOYSA-N 0 0 426.564 5.581 50 0 IKAARN CCN(CC)c1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1 ZINC000027528296 563043369 /nfs/dbraw/zinc/04/33/69/563043369.db2.gz FGSYEPPIDQYMAW-UHFFFAOYSA-N 0 0 428.608 5.726 50 0 IKAARN CCCSc1nnc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)s1 ZINC000037866211 563095910 /nfs/dbraw/zinc/09/59/10/563095910.db2.gz GMTLIJKJKRSHIP-UHFFFAOYSA-N 0 0 433.609 5.213 50 0 IKAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc21)[C@H]1C[C@H]1C ZINC000107508371 568625438 /nfs/dbraw/zinc/62/54/38/568625438.db2.gz GTPJOUCVMBDGOE-CXHCGLNMSA-N 0 0 446.616 5.593 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048332804 568625688 /nfs/dbraw/zinc/62/56/88/568625688.db2.gz LVNUNUFKMVYPBU-FGZHOGPDSA-N 0 0 442.588 5.250 50 0 IKAARN O=C(O/C(=C\c1nccn1Cc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000210959781 568635331 /nfs/dbraw/zinc/63/53/31/568635331.db2.gz MHWBPBKBOOJFME-KQWNVCNZSA-N 0 0 449.337 6.593 50 0 IKAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000015055761 568635348 /nfs/dbraw/zinc/63/53/48/568635348.db2.gz XBQKRMFAKYUPCX-APSNUPSMSA-N 0 0 426.346 5.910 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 ZINC000000898661 568635387 /nfs/dbraw/zinc/63/53/87/568635387.db2.gz NTWGHXCNXVPGBU-UHFFFAOYSA-N 0 0 447.539 5.058 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)cc1 ZINC000000900787 568635975 /nfs/dbraw/zinc/63/59/75/568635975.db2.gz OLGAFUQNIBABHL-UHFFFAOYSA-N 0 0 445.544 5.235 50 0 IKAARN CSc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000902303 568636168 /nfs/dbraw/zinc/63/61/68/568636168.db2.gz YUDBAWJATVECCL-UHFFFAOYSA-N 0 0 441.525 5.677 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)Nc1cccc(C(F)(F)F)c1 ZINC000000907305 568636354 /nfs/dbraw/zinc/63/63/54/568636354.db2.gz UEAISRCBSADEDD-UHFFFAOYSA-N 0 0 445.491 6.108 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000000912849 568636625 /nfs/dbraw/zinc/63/66/25/568636625.db2.gz XSODMMOIYRQLHT-UHFFFAOYSA-N 0 0 428.867 5.193 50 0 IKAARN COc1cc2c(cc1NC(=O)c1cccc(OCc3c(C)noc3C)c1)oc1ccccc12 ZINC000015081020 568636722 /nfs/dbraw/zinc/63/67/22/568636722.db2.gz BSKVVMLVMKXFKC-UHFFFAOYSA-N 0 0 442.471 6.031 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919293 568636961 /nfs/dbraw/zinc/63/69/61/568636961.db2.gz RZPAXJUQVLFKQV-QAPCUYQASA-N 0 0 432.446 5.686 50 0 IKAARN COc1ccc(-c2oc3ncn4nc(-c5cccnc5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000000917884 568637152 /nfs/dbraw/zinc/63/71/52/568637152.db2.gz BUGDGAQVUUHCTA-UHFFFAOYSA-N 0 0 449.470 5.284 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919285 568637164 /nfs/dbraw/zinc/63/71/64/568637164.db2.gz RZPAXJUQVLFKQV-MAUKXSAKSA-N 0 0 432.446 5.686 50 0 IKAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(Oc2ccccc2)cc1 ZINC000000937237 568638876 /nfs/dbraw/zinc/63/88/76/568638876.db2.gz RXMNDYCAAMOPRT-UHFFFAOYSA-N 0 0 427.456 5.092 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000937239 568638916 /nfs/dbraw/zinc/63/89/16/568638916.db2.gz WGSGRPHFFMHRIY-UHFFFAOYSA-N 0 0 436.939 5.735 50 0 IKAARN Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc(F)c(Cl)c4)n23)cc1 ZINC000000937507 568639032 /nfs/dbraw/zinc/63/90/32/568639032.db2.gz FAHFZNPQIVSQQM-UHFFFAOYSA-N 0 0 432.933 5.290 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 ZINC000025143445 568639667 /nfs/dbraw/zinc/63/96/67/568639667.db2.gz JKAQHFIJTDFGRF-UHFFFAOYSA-N 0 0 449.480 5.346 50 0 IKAARN C[C@@H]1CCCN(c2cc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c3ccccc3n2)C1 ZINC000025143531 568639761 /nfs/dbraw/zinc/63/97/61/568639761.db2.gz VZEOOXZMDNJXFR-DFHRPNOPSA-N 0 0 449.598 6.185 50 0 IKAARN O=C(c1ccc(-c2ccc3c(c2)OCO3)s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000025142248 568639931 /nfs/dbraw/zinc/63/99/31/568639931.db2.gz LGPZQMGOQHSEFA-UHFFFAOYSA-N 0 0 427.525 5.986 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n(-c2ccc(F)cc2)n1 ZINC000025143764 568639934 /nfs/dbraw/zinc/63/99/34/568639934.db2.gz WCTPPTIUYHQUTQ-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)oc3C)c2)n(-c2ccccc2C)n1 ZINC000025143773 568639976 /nfs/dbraw/zinc/63/99/76/568639976.db2.gz NSPYKRIUXBFBQF-UHFFFAOYSA-N 0 0 443.503 5.487 50 0 IKAARN CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C(=O)N(C)C(C)C)cc2)n1 ZINC000025142950 568640160 /nfs/dbraw/zinc/64/01/60/568640160.db2.gz LSNQWPJNKVFFFX-UHFFFAOYSA-N 0 0 441.531 5.350 50 0 IKAARN Cc1cc2nc(-c3ccccc3)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2cc1C ZINC000025142557 568640205 /nfs/dbraw/zinc/64/02/05/568640205.db2.gz ZZHCTNMBKSSACS-UHFFFAOYSA-N 0 0 440.522 5.015 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2)c(-c2cccc(F)c2)cn1Cc1ccccc1 ZINC000025145650 568640398 /nfs/dbraw/zinc/64/03/98/568640398.db2.gz WVRIIWJVOYYTCM-UHFFFAOYSA-N 0 0 442.490 5.772 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2cccc(F)c2)n1 ZINC000025145419 568640406 /nfs/dbraw/zinc/64/04/06/568640406.db2.gz LTRJHKQHDNVXAE-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1C(F)(F)F ZINC000025145575 568640455 /nfs/dbraw/zinc/64/04/55/568640455.db2.gz XFWQRSNTHGXYOW-UHFFFAOYSA-N 0 0 441.840 6.464 50 0 IKAARN CC(C)C(NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)C(C)C ZINC000025145318 568640490 /nfs/dbraw/zinc/64/04/90/568640490.db2.gz KZDRCBBUESOYDH-UHFFFAOYSA-N 0 0 432.593 5.619 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000025144117 568640730 /nfs/dbraw/zinc/64/07/30/568640730.db2.gz VXXJEUOIGPPJNK-UHFFFAOYSA-N 0 0 428.601 7.023 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1-c1cc(C)cc(C)c1 ZINC000025144029 568640760 /nfs/dbraw/zinc/64/07/60/568640760.db2.gz ZTTMMYJVAUUNKM-UHFFFAOYSA-N 0 0 444.550 6.953 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3cccs3)c2)n(-c2cccc(C)c2)n1 ZINC000025144627 568640908 /nfs/dbraw/zinc/64/09/08/568640908.db2.gz HQGFOQCVVMZXQI-UHFFFAOYSA-N 0 0 445.544 5.267 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(F)ccc2C)c1-c1ccc(F)cc1 ZINC000025144816 568640981 /nfs/dbraw/zinc/64/09/81/568640981.db2.gz PWSWSDINDAXQPP-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2F)c1-c1ccc(F)cc1 ZINC000025145002 568641003 /nfs/dbraw/zinc/64/10/03/568641003.db2.gz YMJQMFBUNJIPKE-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025147770 568641323 /nfs/dbraw/zinc/64/13/23/568641323.db2.gz HBGLYELXQAEFSU-IBGZPJMESA-N 0 0 430.577 5.613 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C)c(C)c1)[C@H]3c1ccccc1OC ZINC000025147933 568641478 /nfs/dbraw/zinc/64/14/78/568641478.db2.gz PANRMFYXVCGRPA-MHZLTWQESA-N 0 0 440.543 5.590 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c(Cl)c2)cc1 ZINC000000944074 568641884 /nfs/dbraw/zinc/64/18/84/568641884.db2.gz NZEVCCLBLGEOHB-UHFFFAOYSA-N 0 0 431.941 5.704 50 0 IKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[nH]c(=O)c21 ZINC000086057262 568642180 /nfs/dbraw/zinc/64/21/80/568642180.db2.gz VQMYPPVXYBQQQE-LJQANCHMSA-N 0 0 449.576 5.024 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000025148837 568642422 /nfs/dbraw/zinc/64/24/22/568642422.db2.gz MVLMQQXJLHEDOH-NDEPHWFRSA-N 0 0 437.970 6.646 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1cccc3cc[nH]c31)CC2 ZINC000025148786 568642475 /nfs/dbraw/zinc/64/24/75/568642475.db2.gz JHPQVUVLCJDAOM-RUZDIDTESA-N 0 0 446.934 5.626 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025148702 568642520 /nfs/dbraw/zinc/64/25/20/568642520.db2.gz YXXFDTMLXRHJAV-UHFFFAOYSA-N 0 0 437.930 6.480 50 0 IKAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025150463 568643079 /nfs/dbraw/zinc/64/30/79/568643079.db2.gz SVHCVAAPOCKRHU-SANMLTNESA-N 0 0 429.523 6.314 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4cccc5ccccc54)cc3)n[nH]2)c1 ZINC000025151697 568643256 /nfs/dbraw/zinc/64/32/56/568643256.db2.gz WFVIYJYBRISWPH-LJQANCHMSA-N 0 0 447.538 6.397 50 0 IKAARN O=C(c1ccc(-c2cccc(Cl)c2)s1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000025151216 568643384 /nfs/dbraw/zinc/64/33/84/568643384.db2.gz CGHFGOUPPGSUMY-VWLOTQADSA-N 0 0 447.962 6.996 50 0 IKAARN O=C(c1ccc(-c2cccc(Cl)c2)s1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000025151219 568643394 /nfs/dbraw/zinc/64/33/94/568643394.db2.gz CGHFGOUPPGSUMY-RUZDIDTESA-N 0 0 447.962 6.996 50 0 IKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)cc21 ZINC000000947169 568643469 /nfs/dbraw/zinc/64/34/69/568643469.db2.gz QCQSSVLEOGODKL-UHFFFAOYSA-N 0 0 444.108 6.176 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025153420 568643605 /nfs/dbraw/zinc/64/36/05/568643605.db2.gz LAPPIAUDBBASNS-MHZLTWQESA-N 0 0 443.550 6.704 50 0 IKAARN CCOC(=O)COc1cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c2cc1CC ZINC000000947941 568643782 /nfs/dbraw/zinc/64/37/82/568643782.db2.gz AADZIYYPCQEYCO-UHFFFAOYSA-N 0 0 436.382 5.108 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1c(Cl)cccc1Cl ZINC000000948821 568643791 /nfs/dbraw/zinc/64/37/91/568643791.db2.gz FYNBOIPXCZZXHR-UHFFFAOYSA-N 0 0 446.384 6.396 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1nn(-c2ccc(F)cc2)c2ncccc12 ZINC000025157602 568643849 /nfs/dbraw/zinc/64/38/49/568643849.db2.gz IICUSKJEHZCFMV-DEOSSOPVSA-N 0 0 436.490 5.273 50 0 IKAARN COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc2c1 ZINC000000952948 568645140 /nfs/dbraw/zinc/64/51/40/568645140.db2.gz RUCBNRNBXCMUNP-UHFFFAOYSA-N 0 0 440.874 5.955 50 0 IKAARN O=C(COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)OC1CCCCC1 ZINC000000950738 568645279 /nfs/dbraw/zinc/64/52/79/568645279.db2.gz YPSFIDYSLYNQKK-UHFFFAOYSA-N 0 0 428.868 5.493 50 0 IKAARN Cc1cccc(CNC(=O)c2nn(Cc3ccccc3)c3nccc(-c4cccs4)c23)c1 ZINC000025160765 568645472 /nfs/dbraw/zinc/64/54/72/568645472.db2.gz FTMGBUCKVSHYSX-UHFFFAOYSA-N 0 0 438.556 5.447 50 0 IKAARN O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)Nc1ccc(Cl)cc1 ZINC000000951890 568645573 /nfs/dbraw/zinc/64/55/73/568645573.db2.gz YZZQIZMHSVBRLB-UHFFFAOYSA-N 0 0 430.316 5.071 50 0 IKAARN COc1ccccc1-c1cccc(-c2cccc(NC(=O)c3cc4ccccc4s3)c2)n1 ZINC000025158626 568645597 /nfs/dbraw/zinc/64/55/97/568645597.db2.gz LEEUSKOEXYMSKN-UHFFFAOYSA-N 0 0 436.536 6.891 50 0 IKAARN CCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(CC)cc1)c2=O ZINC000000956073 568645759 /nfs/dbraw/zinc/64/57/59/568645759.db2.gz KSZNJIIHKLTKDK-UHFFFAOYSA-N 0 0 436.382 5.108 50 0 IKAARN CCOc1ccc(-c2csc(NC(=O)/C(Br)=C/c3ccccc3)n2)cc1 ZINC000000955784 568645784 /nfs/dbraw/zinc/64/57/84/568645784.db2.gz WOSODYUWKXOPNY-ATVHPVEESA-N 0 0 429.339 5.583 50 0 IKAARN Cc1cc(Oc2coc3cc(OCC(=O)N4CCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000000956128 568645857 /nfs/dbraw/zinc/64/58/57/568645857.db2.gz NPAUCKQMCJGOEX-UHFFFAOYSA-N 0 0 441.911 5.247 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1Cc1ccccc1 ZINC000000956361 568645921 /nfs/dbraw/zinc/64/59/21/568645921.db2.gz VVHHAZCCFUTJML-DEOSSOPVSA-N 0 0 446.934 5.624 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1Cc1ccccc1 ZINC000000956360 568645937 /nfs/dbraw/zinc/64/59/37/568645937.db2.gz VVHHAZCCFUTJML-XMMPIXPASA-N 0 0 446.934 5.624 50 0 IKAARN COC(=O)c1ccc(COc2ccc3c(c2)occ(Oc2ccccc2Cl)c3=O)cc1 ZINC000000957167 568646091 /nfs/dbraw/zinc/64/60/91/568646091.db2.gz ITCOBADZJJNWTO-UHFFFAOYSA-N 0 0 436.847 5.604 50 0 IKAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(C)cc1)c2=O ZINC000000958111 568646336 /nfs/dbraw/zinc/64/63/36/568646336.db2.gz MKPFXSSLTDZLMX-ZDUSSCGKSA-N 0 0 436.382 5.243 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000000959606 568646549 /nfs/dbraw/zinc/64/65/49/568646549.db2.gz NFOQNSMHHSHPKU-XNTDXEJSSA-N 0 0 435.907 5.423 50 0 IKAARN O=C(NCc1ccccc1F)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025161304 568647018 /nfs/dbraw/zinc/64/70/18/568647018.db2.gz CFVPLLNHDDMIJJ-UHFFFAOYSA-N 0 0 442.519 5.277 50 0 IKAARN CC(C)[C@H](C(=O)N1c2ccccc2Sc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000000971343 568647569 /nfs/dbraw/zinc/64/75/69/568647569.db2.gz NZCQGJANRLIQDG-JOCHJYFZSA-N 0 0 428.513 5.137 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)O[C@H](c1ccc(Cl)cc1)c1ccccc1-n1ccnc1 ZINC000000971626 568647788 /nfs/dbraw/zinc/64/77/88/568647788.db2.gz DOERKMATLKGQHF-JOCHJYFZSA-N 0 0 438.314 6.517 50 0 IKAARN Cc1c(-c2cccs2)nc2sc(C(=O)NCc3ccco3)c(N)c2c1C(F)(F)F ZINC000000971489 568647806 /nfs/dbraw/zinc/64/78/06/568647806.db2.gz OHJBHRBYNWWUAS-UHFFFAOYSA-N 0 0 437.468 5.457 50 0 IKAARN NC(=O)c1ccccc1NC(=O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000000974369 568647836 /nfs/dbraw/zinc/64/78/36/568647836.db2.gz NQKKWRVNFZUBQH-UHFFFAOYSA-N 0 0 447.579 5.145 50 0 IKAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000000976946 568648059 /nfs/dbraw/zinc/64/80/59/568648059.db2.gz WKHHRZCZCZVROV-INIZCTEOSA-N 0 0 444.004 5.300 50 0 IKAARN Cc1ccc(NC(=O)Cn2cc(/C=C3\SC(=O)N(C(C)C)C3=O)c3ccccc32)cc1 ZINC000000981503 568648827 /nfs/dbraw/zinc/64/88/27/568648827.db2.gz LEYYEEHNZVEZQH-MTJSOVHGSA-N 0 0 433.533 5.033 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)ccc3o2)cc1 ZINC000000986847 568649109 /nfs/dbraw/zinc/64/91/09/568649109.db2.gz AXQBGTCCLUTZGE-UHFFFAOYSA-N 0 0 428.875 6.969 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)cc1 ZINC000000995132 568649299 /nfs/dbraw/zinc/64/92/99/568649299.db2.gz KQNQRVSISIGRCM-VGOFMYFVSA-N 0 0 426.925 5.101 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc5c6c(cccc64)CC5)nc3c2)cc1 ZINC000000997036 568649306 /nfs/dbraw/zinc/64/93/06/568649306.db2.gz MQLNKXPBBUAOEI-UHFFFAOYSA-N 0 0 434.495 6.073 50 0 IKAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000996427 568649307 /nfs/dbraw/zinc/64/93/07/568649307.db2.gz RLRJIIBYGMOYBN-UHFFFAOYSA-N 0 0 443.304 5.793 50 0 IKAARN CCc1c(C)sc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c1C(N)=O ZINC000000998717 568649618 /nfs/dbraw/zinc/64/96/18/568649618.db2.gz KOVAJVSFUZEBMN-UHFFFAOYSA-N 0 0 438.336 5.240 50 0 IKAARN O=C(c1ccccc1Br)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000001001093 568649982 /nfs/dbraw/zinc/64/99/82/568649982.db2.gz JCQYBBPGERSKMV-HSZRJFAPSA-N 0 0 431.333 5.718 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccc(Cl)cc1Cl)N1CCC1=O ZINC000001020796 568652918 /nfs/dbraw/zinc/65/29/18/568652918.db2.gz ZWONSMVNQAIXMK-HSZRJFAPSA-N 0 0 439.342 5.173 50 0 IKAARN CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)c(C)c2)C(Cl)(Cl)Cl)cc1C ZINC000001023489 568653213 /nfs/dbraw/zinc/65/32/13/568653213.db2.gz HKBQBOAUXUGXOT-UHFFFAOYSA-N 0 0 429.727 5.656 50 0 IKAARN CC(=O)Nc1c2cc(Br)ccc2oc1C(=O)c1ccc(Br)s1 ZINC000001054637 568653631 /nfs/dbraw/zinc/65/36/31/568653631.db2.gz ZPBDEQYSTNHOJW-UHFFFAOYSA-N 0 0 443.116 5.209 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000001057526 568654375 /nfs/dbraw/zinc/65/43/75/568654375.db2.gz FHHNUJCHIJZUCB-LBPRGKRZSA-N 0 0 430.982 6.092 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1sc(Nc2ccccc2F)nc1-c1ccccc1 ZINC000001061282 568655854 /nfs/dbraw/zinc/65/58/54/568655854.db2.gz KLCLKSCJXCUENE-UHFFFAOYSA-N 0 0 447.491 5.716 50 0 IKAARN O=C1[C@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001064742 568656058 /nfs/dbraw/zinc/65/60/58/568656058.db2.gz XVHKLEXJOAPXKI-GDBMZVCRSA-N 0 0 428.888 5.107 50 0 IKAARN O=C1[C@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001064740 568656102 /nfs/dbraw/zinc/65/61/02/568656102.db2.gz XVHKLEXJOAPXKI-ZBFHGGJFSA-N 0 0 428.888 5.107 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000025394106 568656260 /nfs/dbraw/zinc/65/62/60/568656260.db2.gz RMSQCJSHKADUNM-UHFFFAOYSA-N 0 0 446.528 5.170 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCN2c3ccccc3Sc3ccccc32)c1 ZINC000025390022 568656283 /nfs/dbraw/zinc/65/62/83/568656283.db2.gz YKSPDKHSZAVKLN-UHFFFAOYSA-N 0 0 445.588 5.393 50 0 IKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025388724 568656337 /nfs/dbraw/zinc/65/63/37/568656337.db2.gz SJXAGIXNYISQNZ-UHFFFAOYSA-N 0 0 447.564 5.417 50 0 IKAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000001075012 568656488 /nfs/dbraw/zinc/65/64/88/568656488.db2.gz JUXVPVYYVZWMOE-UHFFFAOYSA-N 0 0 440.487 5.019 50 0 IKAARN O=C1O[C@H]2C3(CCCCC3)C(=O)O[C@]2(c2ccc(Br)cc2)C12CCCCC2 ZINC000001075654 568656755 /nfs/dbraw/zinc/65/67/55/568656755.db2.gz IBGURYAQEKKAFD-JTSKRJEESA-N 0 0 433.342 5.028 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000001075830 568656775 /nfs/dbraw/zinc/65/67/75/568656775.db2.gz WNNCEYRWSCPPQP-UHFFFAOYSA-N 0 0 433.266 5.001 50 0 IKAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)OC4CCCCCC4)c(C)c3C(=O)C2)c1 ZINC000001080591 568657289 /nfs/dbraw/zinc/65/72/89/568657289.db2.gz BWZLZBVRMKSFRR-INIZCTEOSA-N 0 0 425.525 5.133 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000001074046 568657640 /nfs/dbraw/zinc/65/76/40/568657640.db2.gz HHDKBBOQFBEUIL-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN CCOc1ccc(CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1OCC ZINC000001089958 568658312 /nfs/dbraw/zinc/65/83/12/568658312.db2.gz UETKGENJOWWDBY-UHFFFAOYSA-N 0 0 431.598 5.053 50 0 IKAARN O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001099438 568659134 /nfs/dbraw/zinc/65/91/34/568659134.db2.gz IFNCQBCYAPLIPC-UHFFFAOYSA-N 0 0 446.981 5.013 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccc(OCc3noc(C)n3)cc1)oc1ccccc12 ZINC000025455292 568659136 /nfs/dbraw/zinc/65/91/36/568659136.db2.gz QKXCWIKLFJSGNI-UHFFFAOYSA-N 0 0 429.432 5.117 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2nc(C)cc(C)n2)sc(C)c1-c1ccccc1 ZINC000001120015 568659748 /nfs/dbraw/zinc/65/97/48/568659748.db2.gz UGLRGISGQBGZRF-UHFFFAOYSA-N 0 0 426.567 5.116 50 0 IKAARN COc1ccc(OCc2nn(-c3nc4ccccc4s3)c(N)c2-c2ccccc2)cc1 ZINC000001110132 568659774 /nfs/dbraw/zinc/65/97/74/568659774.db2.gz HSUYSJYCTDNOIU-UHFFFAOYSA-N 0 0 428.517 5.319 50 0 IKAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OC ZINC000001104077 568660398 /nfs/dbraw/zinc/66/03/98/568660398.db2.gz DRDXUGJTNFTLHK-BOPFTXTBSA-N 0 0 448.338 5.093 50 0 IKAARN O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc(Oc2ccccc2)cc1 ZINC000001105098 568660613 /nfs/dbraw/zinc/66/06/13/568660613.db2.gz GVGNGWPFAOALET-UHFFFAOYSA-N 0 0 443.553 6.225 50 0 IKAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000025511093 568662013 /nfs/dbraw/zinc/66/20/13/568662013.db2.gz CHTVWDJLHZBOCN-UHFFFAOYSA-N 0 0 435.138 5.932 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cncc(Br)c1 ZINC000001154069 568663377 /nfs/dbraw/zinc/66/33/77/568663377.db2.gz BMRGMHZOUOIFRT-UHFFFAOYSA-N 0 0 444.741 6.027 50 0 IKAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000001158678 568664024 /nfs/dbraw/zinc/66/40/24/568664024.db2.gz HUQCUCRFQUTIKR-UHFFFAOYSA-N 0 0 438.376 5.773 50 0 IKAARN Cc1c(OC(=O)c2ccco2)ccc2c(=O)c(-c3nc4ccccc4s3)c(C(C)C)oc12 ZINC000001159461 568664099 /nfs/dbraw/zinc/66/40/99/568664099.db2.gz BIMHLLVPBGMTHE-UHFFFAOYSA-N 0 0 445.496 6.314 50 0 biogenic IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc54)cc3n2)cc1Cl ZINC000001166545 568664547 /nfs/dbraw/zinc/66/45/47/568664547.db2.gz FDXYFTHSFVOREG-UHFFFAOYSA-N 0 0 442.906 5.796 50 0 IKAARN CC(=O)c1ccc(N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000015165060 568731896 /nfs/dbraw/zinc/73/18/96/568731896.db2.gz UFYPRXYIMIYGKT-UHFFFAOYSA-N 0 0 432.524 5.027 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)Nc4cccc(C)c4)cs3)cc2)c1 ZINC000034711960 568732538 /nfs/dbraw/zinc/73/25/38/568732538.db2.gz VTIGRFCKLCTGAU-UHFFFAOYSA-N 0 0 430.529 5.958 50 0 IKAARN CN(Cc1ccco1)C(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2)n1 ZINC000034717195 568732915 /nfs/dbraw/zinc/73/29/15/568732915.db2.gz NKBDCVHRJYLQRI-UHFFFAOYSA-N 0 0 438.936 5.908 50 0 IKAARN Cc1nc(C)c(-c2nnc(SCc3csc(-c4ccc(C(C)C)cc4)n3)o2)s1 ZINC000025588150 568736606 /nfs/dbraw/zinc/73/66/06/568736606.db2.gz HUSVOBMMGBUNIM-UHFFFAOYSA-N 0 0 428.608 6.349 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OC(C)=O)sc(CC)c1-c1ccccc1 ZINC000001193210 568736796 /nfs/dbraw/zinc/73/67/96/568736796.db2.gz PJTXSZOWWDYVDD-UHFFFAOYSA-N 0 0 437.517 5.332 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000001208399 568737144 /nfs/dbraw/zinc/73/71/44/568737144.db2.gz YXYFTUAVFIRCMI-UHFFFAOYSA-N 0 0 446.547 5.435 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N(CC(C)C)CC(C)C)n1-c1ccccc1 ZINC000005883217 568738140 /nfs/dbraw/zinc/73/81/40/568738140.db2.gz IJLUAYKUVKJNBO-UHFFFAOYSA-N 0 0 426.586 5.068 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1CC)CCc1ccccc1-3 ZINC000001753146 568738420 /nfs/dbraw/zinc/73/84/20/568738420.db2.gz FXPMYXCZAPGUOG-UHFFFAOYSA-N 0 0 432.614 6.277 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000137074419 568738421 /nfs/dbraw/zinc/73/84/21/568738421.db2.gz CAYJOPXHPVZJNE-IZZNHLLZSA-N 0 0 435.531 5.212 50 0 IKAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833482 568738430 /nfs/dbraw/zinc/73/84/30/568738430.db2.gz MYEMVWBYXCMSJQ-KRWDZBQOSA-N 0 0 428.536 5.193 50 0 IKAARN CCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001770154 568738584 /nfs/dbraw/zinc/73/85/84/568738584.db2.gz VWOKMIFZRJMFIH-CYBMUJFWSA-N 0 0 447.281 5.068 50 0 IKAARN CC(C)COC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770139 568738593 /nfs/dbraw/zinc/73/85/93/568738593.db2.gz SJCSQGMWEYVMEX-QGZVFWFLSA-N 0 0 438.520 5.849 50 0 biogenic IKAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1Cl ZINC000137130163 568738709 /nfs/dbraw/zinc/73/87/09/568738709.db2.gz YVLQHNFPJCUFIA-MMEFYLPPSA-N 0 0 427.931 5.891 50 0 IKAARN CCOC(=O)c1c(C)n(CCOCc2ccc(Cl)cc2)c2c1cc(O)c1ccccc21 ZINC000005947965 568739220 /nfs/dbraw/zinc/73/92/20/568739220.db2.gz UMCKSMKEUTXQOW-UHFFFAOYSA-N 0 0 437.923 5.855 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCc2cc(C)ccc21 ZINC000005948066 568739384 /nfs/dbraw/zinc/73/93/84/568739384.db2.gz GCQRWUHMFMRMBL-UHFFFAOYSA-N 0 0 436.602 6.050 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1c2ccccc2C[C@@H]1C ZINC000005948075 568739394 /nfs/dbraw/zinc/73/93/94/568739394.db2.gz BGPKGZUJVBSTNR-INIZCTEOSA-N 0 0 436.602 5.664 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)c(Cl)c(C)c2)c3=O)cc1 ZINC000001775142 568739500 /nfs/dbraw/zinc/73/95/00/568739500.db2.gz RSHNNAQAGSNRQI-UHFFFAOYSA-N 0 0 434.875 6.383 50 0 IKAARN O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1)c1ccco1 ZINC000001770984 568739548 /nfs/dbraw/zinc/73/95/48/568739548.db2.gz JFJWTPWULANHGM-UHFFFAOYSA-N 0 0 434.753 5.944 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C)c3ccc(OC(F)(F)F)cc3)o2)cc1OC ZINC000063415343 568739667 /nfs/dbraw/zinc/73/96/67/568739667.db2.gz BHNNZKRIJPDRDI-LLVKDONJSA-N 0 0 426.416 5.506 50 0 IKAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1cc(Cl)ccc1Cl ZINC000001789825 568740086 /nfs/dbraw/zinc/74/00/86/568740086.db2.gz BAVJQLIVVPIYKX-JTQLQIEISA-N 0 0 438.405 5.996 50 0 IKAARN CCCOc1ccc(-c2csc3ncn(Cc4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 ZINC000001789832 568740094 /nfs/dbraw/zinc/74/00/94/568740094.db2.gz KRARXWHJPUPUJJ-UHFFFAOYSA-N 0 0 432.589 6.260 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4c(Cl)cccc4Cl)ccc32)cc1 ZINC000001805015 568740504 /nfs/dbraw/zinc/74/05/04/568740504.db2.gz FAKYSXRCBSCQMJ-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 biogenic IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 ZINC000001819017 568741203 /nfs/dbraw/zinc/74/12/03/568741203.db2.gz DUGXRKKJRBPMIB-INIZCTEOSA-N 0 0 442.650 6.253 50 0 IKAARN Clc1ccc(-c2cn3nc(COc4ccc(Cl)cc4Cl)n4c3c2CCCC4)cc1 ZINC000001811976 568741225 /nfs/dbraw/zinc/74/12/25/568741225.db2.gz LBFZDOMKHGKIOG-UHFFFAOYSA-N 0 0 446.765 6.678 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001822167 568741628 /nfs/dbraw/zinc/74/16/28/568741628.db2.gz ZGPQPJXESDQYOI-UHFFFAOYSA-N 0 0 444.644 6.940 50 0 IKAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OC/C=C/c3ccccc3)cc21 ZINC000001825571 568741654 /nfs/dbraw/zinc/74/16/54/568741654.db2.gz HYCVCQOPTGFHCS-RMKNXTFCSA-N 0 0 445.309 5.399 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 ZINC000001821525 568741682 /nfs/dbraw/zinc/74/16/82/568741682.db2.gz LTEQVPMEEPTHRJ-SFHVURJKSA-N 0 0 444.622 5.445 50 0 IKAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1c2ccccc2Sc2ccccc21 ZINC000031680439 568741694 /nfs/dbraw/zinc/74/16/94/568741694.db2.gz SUWVASKVFGVYCJ-UHFFFAOYSA-N 0 0 444.537 5.178 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(OC[C@H]3CCCO3)C2=C(N2CCCCC2)C1 ZINC000012491020 568741988 /nfs/dbraw/zinc/74/19/88/568741988.db2.gz FPHJHUUUCKCBSR-QJWGWKRISA-N 0 0 443.528 5.769 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(OC[C@@H]3CCCO3)C2=C(N2CCCCC2)C1 ZINC000012491001 568742014 /nfs/dbraw/zinc/74/20/14/568742014.db2.gz FPHJHUUUCKCBSR-GEFUHLBYSA-N 0 0 443.528 5.769 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 ZINC000001882492 568742017 /nfs/dbraw/zinc/74/20/17/568742017.db2.gz NHUADAMKWCCPMV-GDLZYMKVSA-N 0 0 445.603 6.362 50 0 biogenic IKAARN COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001916564 568742172 /nfs/dbraw/zinc/74/21/72/568742172.db2.gz DHQCELYZIASGJJ-INIZCTEOSA-N 0 0 429.582 5.320 50 0 IKAARN Cc1cccc(Oc2c(=O)c3ccc(OC(=O)c4ccccc4)cc3oc2C(F)(F)F)c1 ZINC000001904815 568742259 /nfs/dbraw/zinc/74/22/59/568742259.db2.gz FSWWFSCWVHOZRK-UHFFFAOYSA-N 0 0 440.373 6.132 50 0 IKAARN CCN(CC)[P@@]1(=Nc2ccccc2C)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012524681 568742324 /nfs/dbraw/zinc/74/23/24/568742324.db2.gz DOQOWYAHYCBBEV-KGLNQKBNSA-N 0 0 435.556 6.570 50 0 IKAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002078780 568742522 /nfs/dbraw/zinc/74/25/22/568742522.db2.gz VLSSOBSWTIJGMA-UHFFFAOYSA-N 0 0 446.462 5.854 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002054885 568742548 /nfs/dbraw/zinc/74/25/48/568742548.db2.gz MIYQLUOBSXOMEJ-XDHOZWIPSA-N 0 0 441.911 5.306 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NC3CCCCC3)c3cc(Br)ccc3n2)cc1C ZINC000002105593 568742809 /nfs/dbraw/zinc/74/28/09/568742809.db2.gz OFDYZOPTIZWQJV-UHFFFAOYSA-N 0 0 437.381 6.344 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003209309 568743000 /nfs/dbraw/zinc/74/30/00/568743000.db2.gz UELIBQADICDLEA-UHFFFAOYSA-N 0 0 435.552 6.120 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003204244 568743004 /nfs/dbraw/zinc/74/30/04/568743004.db2.gz QUQYJGQOZIEPOW-UHFFFAOYSA-N 0 0 434.520 6.447 50 0 IKAARN COc1cc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000003213162 568743155 /nfs/dbraw/zinc/74/31/55/568743155.db2.gz PEHHKVYVBIRQFK-UHFFFAOYSA-N 0 0 448.563 5.770 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000003227405 568743391 /nfs/dbraw/zinc/74/33/91/568743391.db2.gz STYWXAGVKYOCNA-GOSISDBHSA-N 0 0 448.375 5.406 50 0 IKAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000003244228 568743481 /nfs/dbraw/zinc/74/34/81/568743481.db2.gz QVEZGMZTUHQLRU-UHFFFAOYSA-N 0 0 440.830 5.599 50 0 IKAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(Cl)c1Cl ZINC000003247185 568743504 /nfs/dbraw/zinc/74/35/04/568743504.db2.gz NXBRFOMABSLZSO-UHFFFAOYSA-N 0 0 449.359 5.065 50 0 IKAARN Cc1nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nc(C)c1C ZINC000012541542 568743844 /nfs/dbraw/zinc/74/38/44/568743844.db2.gz SAPQVLAWNUDUNX-LJQANCHMSA-N 0 0 440.956 5.118 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)c3ccc(Cl)s3)cccc12)c1ccc(Cl)s1 ZINC000003258108 568744035 /nfs/dbraw/zinc/74/40/35/568744035.db2.gz UFNGXGPMRMGAFC-UHFFFAOYSA-N 0 0 447.368 6.774 50 0 IKAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1Br ZINC000003253159 568744080 /nfs/dbraw/zinc/74/40/80/568744080.db2.gz IQOHHYDIUJJDIE-UHFFFAOYSA-N 0 0 442.693 5.252 50 0 IKAARN CCOc1ccc2nc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000012541733 568744089 /nfs/dbraw/zinc/74/40/89/568744089.db2.gz ZZVQPLKGFINQGS-KWJFTMPMSA-N 0 0 430.639 5.508 50 0 IKAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC(c1ccccc1)c1ccccc1 ZINC000003252872 568744107 /nfs/dbraw/zinc/74/41/07/568744107.db2.gz PCZCVHJYNCWKIH-UHFFFAOYSA-N 0 0 437.495 5.542 50 0 IKAARN CCCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc(Cl)c1C)CCC3 ZINC000003259651 568744185 /nfs/dbraw/zinc/74/41/85/568744185.db2.gz YXSZFFGQIHWRLF-UHFFFAOYSA-N 0 0 448.013 5.049 50 0 IKAARN O=c1c2c(nc(SCc3ccc(Cl)cc3)n1Cc1ccccc1)sc1c2CCC1 ZINC000003259661 568744258 /nfs/dbraw/zinc/74/42/58/568744258.db2.gz JIOMNWXGDGOUFN-UHFFFAOYSA-N 0 0 439.005 5.941 50 0 IKAARN C[C@H](Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003265559 568744273 /nfs/dbraw/zinc/74/42/73/568744273.db2.gz DCLRXALJJRZUGG-INIZCTEOSA-N 0 0 438.936 6.001 50 0 IKAARN O=C(NCCOC(=O)c1cc(Cl)ccc1Cl)c1sc2cc(F)ccc2c1Cl ZINC000003256529 568744275 /nfs/dbraw/zinc/74/42/75/568744275.db2.gz VJXLZSIKHILPBA-UHFFFAOYSA-N 0 0 446.714 5.587 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc(OC)c1OC ZINC000003265792 568744282 /nfs/dbraw/zinc/74/42/82/568744282.db2.gz HBNMUENVWWAFCS-UHFFFAOYSA-N 0 0 445.349 5.457 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2cccc3cccnc32)cc1 ZINC000003278332 568744827 /nfs/dbraw/zinc/74/48/27/568744827.db2.gz YMXIOWIGIMUBCE-UHFFFAOYSA-N 0 0 443.528 5.227 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3ccccc3OCc3ccccc3Cl)sc2c1 ZINC000003272605 568744834 /nfs/dbraw/zinc/74/48/34/568744834.db2.gz FMNDDZIBWIOWSG-UHFFFAOYSA-N 0 0 438.936 6.180 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)sc2c1Cl ZINC000003280473 568744974 /nfs/dbraw/zinc/74/49/74/568744974.db2.gz KENQHIAPXPYKAN-GHMZBOCLSA-N 0 0 430.353 5.163 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)sc2c1Cl ZINC000003280475 568745017 /nfs/dbraw/zinc/74/50/17/568745017.db2.gz KENQHIAPXPYKAN-QWRGUYRKSA-N 0 0 430.353 5.163 50 0 IKAARN Fc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2ccccc2)c(F)c1 ZINC000003288354 568745205 /nfs/dbraw/zinc/74/52/05/568745205.db2.gz IMPFWUDJFPVDTM-UHFFFAOYSA-N 0 0 436.512 6.115 50 0 IKAARN Cc1cc(Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000003289943 568745208 /nfs/dbraw/zinc/74/52/08/568745208.db2.gz NEZJVDWFEKODCI-UHFFFAOYSA-N 0 0 426.911 6.265 50 0 IKAARN Fc1ccccc1Nc1nnc(SCCOc2ccc(Br)cc2)s1 ZINC000003294005 568745319 /nfs/dbraw/zinc/74/53/19/568745319.db2.gz HPVHCVBAWLMVGM-UHFFFAOYSA-N 0 0 426.336 5.354 50 0 IKAARN Cc1ccccc1Nc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 ZINC000003292255 568745338 /nfs/dbraw/zinc/74/53/38/568745338.db2.gz UNCGZRJMSXYLKM-UHFFFAOYSA-N 0 0 426.611 5.510 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)O[C@@H]3CCCCC3=O)c12 ZINC000003292261 568745354 /nfs/dbraw/zinc/74/53/54/568745354.db2.gz MWJGNZWJJYXTMF-HXUWFJFHSA-N 0 0 431.517 5.126 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Sc2ncnc3ccccc32)c2ccccc2)cc1Cl ZINC000003294869 568745544 /nfs/dbraw/zinc/74/55/44/568745544.db2.gz 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O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1sc2ccccc2c1Cl ZINC000003655330 568752996 /nfs/dbraw/zinc/75/29/96/568752996.db2.gz ABZMPRAUDSNQFG-UHFFFAOYSA-N 0 0 431.900 6.784 50 0 IKAARN CC(C)Oc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655447 568753010 /nfs/dbraw/zinc/75/30/10/568753010.db2.gz QGNAZDRNQBULAV-UHFFFAOYSA-N 0 0 433.891 6.357 50 0 IKAARN CCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655432 568753042 /nfs/dbraw/zinc/75/30/42/568753042.db2.gz WWNZIRXWTPRXNR-UHFFFAOYSA-N 0 0 433.891 6.358 50 0 IKAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655586 568753097 /nfs/dbraw/zinc/75/30/97/568753097.db2.gz XRNHULYSLNTAQO-HXUWFJFHSA-N 0 0 431.463 5.907 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000003655484 568753104 /nfs/dbraw/zinc/75/31/04/568753104.db2.gz BHQIHGNBRMPNKK-UHFFFAOYSA-N 0 0 427.500 6.259 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000003655527 568753148 /nfs/dbraw/zinc/75/31/48/568753148.db2.gz AQCXEHIXCFTUGM-UHFFFAOYSA-N 0 0 429.472 5.307 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)cc2)c1 ZINC000003655564 568753153 /nfs/dbraw/zinc/75/31/53/568753153.db2.gz FZWWOHIQJRTGCW-UHFFFAOYSA-N 0 0 443.499 6.104 50 0 IKAARN Cc1cc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)ccc1Cl ZINC000003655486 568753179 /nfs/dbraw/zinc/75/31/79/568753179.db2.gz PAZVASQSSZIALD-INIZCTEOSA-N 0 0 433.891 6.032 50 0 IKAARN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658693 568753285 /nfs/dbraw/zinc/75/32/85/568753285.db2.gz CEZLQFJMEAELHI-HXUWFJFHSA-N 0 0 435.524 5.660 50 0 IKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655636 568753304 /nfs/dbraw/zinc/75/33/04/568753304.db2.gz NZMRZXGUVVFFNJ-UHFFFAOYSA-N 0 0 437.495 6.896 50 0 IKAARN C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)c1ccccc1 ZINC000003658655 568753311 /nfs/dbraw/zinc/75/33/11/568753311.db2.gz DDDSRYKODAYXOG-GOSISDBHSA-N 0 0 425.532 7.080 50 0 IKAARN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658662 568753346 /nfs/dbraw/zinc/75/33/46/568753346.db2.gz PIMCEMQGDVVKQP-HXUWFJFHSA-N 0 0 435.524 5.660 50 0 IKAARN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)c1 ZINC000003658702 568753368 /nfs/dbraw/zinc/75/33/68/568753368.db2.gz FKDJZYXTMPXRIN-UHFFFAOYSA-N 0 0 425.532 6.827 50 0 IKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2cccc(F)c2)cc1 ZINC000003658671 568753378 /nfs/dbraw/zinc/75/33/78/568753378.db2.gz HVFKAJPPZVOCJD-UHFFFAOYSA-N 0 0 429.495 6.658 50 0 IKAARN Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)c1 ZINC000003658704 568753394 /nfs/dbraw/zinc/75/33/94/568753394.db2.gz BUIGWTMDMQLFNW-UHFFFAOYSA-N 0 0 429.495 6.658 50 0 IKAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000003664019 568753580 /nfs/dbraw/zinc/75/35/80/568753580.db2.gz QHTTWHGOPBDWDW-UHFFFAOYSA-N 0 0 433.986 5.210 50 0 IKAARN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000003658780 568753581 /nfs/dbraw/zinc/75/35/81/568753581.db2.gz LXPOJEAKUGCFTC-KRWDZBQOSA-N 0 0 447.560 5.530 50 0 IKAARN O=C1C(=Cc2ccccc2OCc2ccc(Cl)cc2)NC(=S)N1C1CCCCC1 ZINC000003662913 568753600 /nfs/dbraw/zinc/75/36/00/568753600.db2.gz CQDZCBWMUZXPRC-ZHZULCJRSA-N 0 0 426.969 5.309 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2SCc1ccccc1C ZINC000003658730 568753607 /nfs/dbraw/zinc/75/36/07/568753607.db2.gz JXRVGBUFQHGJDB-UHFFFAOYSA-N 0 0 437.568 6.697 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@H](C)c2ccccc2)cc1 ZINC000003658746 568753623 /nfs/dbraw/zinc/75/36/23/568753623.db2.gz ANPRVMMYVXBUNM-LJQANCHMSA-N 0 0 437.568 6.949 50 0 IKAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000003664015 568753654 /nfs/dbraw/zinc/75/36/54/568753654.db2.gz GSIXRZZZWGUGNE-UHFFFAOYSA-N 0 0 433.986 5.210 50 0 IKAARN O=C(NCCOc1cccc2ccccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003665989 568753888 /nfs/dbraw/zinc/75/38/88/568753888.db2.gz MNQZWLNMTPADFN-UHFFFAOYSA-N 0 0 427.344 5.686 50 0 IKAARN CCSc1nc2ccc(NC(=O)CSc3nc4ccc(N)cc4s3)cc2s1 ZINC000003668671 568754077 /nfs/dbraw/zinc/75/40/77/568754077.db2.gz WVPRXNFOFCVJRV-UHFFFAOYSA-N 0 0 432.621 5.331 50 0 IKAARN O=C(NCCOc1ccccc1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000003669970 568754094 /nfs/dbraw/zinc/75/40/94/568754094.db2.gz NBWDLQWAQJFCTN-UHFFFAOYSA-N 0 0 447.332 5.473 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1sc2ccccc2c1Cl ZINC000003669850 568754099 /nfs/dbraw/zinc/75/40/99/568754099.db2.gz MFEIQOGCXRQTDS-UHFFFAOYSA-N 0 0 449.306 6.354 50 0 IKAARN CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1 ZINC000003765744 568754304 /nfs/dbraw/zinc/75/43/04/568754304.db2.gz SLRMGFZEXZWYCS-UHFFFAOYSA-N 0 0 439.338 5.384 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1cccc2ccccc21 ZINC000003767330 568754436 /nfs/dbraw/zinc/75/44/36/568754436.db2.gz YAYXGAVHGHMTDA-UHFFFAOYSA-N 0 0 446.384 6.543 50 0 IKAARN CCCNc1nc(F)c(F)c(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1F ZINC000003771012 568754643 /nfs/dbraw/zinc/75/46/43/568754643.db2.gz RBCSQEVRBOFGHH-UHFFFAOYSA-N 0 0 426.548 6.773 50 0 IKAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N[C@H](c1cccs1)c1ccccc1 ZINC000012598643 568754808 /nfs/dbraw/zinc/75/48/08/568754808.db2.gz ILGXDOPEQXLNCF-CVDCTZTESA-N 0 0 433.602 5.401 50 0 IKAARN COc1cc(CN(C)Cc2nc(-c3ccc(F)cc3)no2)ccc1OCc1ccccc1 ZINC000015308014 568755108 /nfs/dbraw/zinc/75/51/08/568755108.db2.gz SRABAHDRUGLFHW-UHFFFAOYSA-N 0 0 433.483 5.095 50 0 IKAARN CCCN1c2ccc(C)cc2/C(=C\c2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000031857577 568758512 /nfs/dbraw/zinc/75/85/12/568758512.db2.gz DMJUCHFUFMAWOW-HAVVHWLPSA-N 0 0 435.527 5.300 50 0 IKAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2c(F)cc(Cl)cc2c1Cl ZINC000232314155 568759720 /nfs/dbraw/zinc/75/97/20/568759720.db2.gz QOOJUOPPSFRRII-UHFFFAOYSA-N 0 0 425.095 5.820 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1c2c(sc1NC(=S)Nc1ccccc1)CCC2 ZINC000004063205 568760122 /nfs/dbraw/zinc/76/01/22/568760122.db2.gz DVTGMVNYFGENEU-UHFFFAOYSA-N 0 0 443.597 6.451 50 0 IKAARN CSc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1 ZINC000019170811 568760394 /nfs/dbraw/zinc/76/03/94/568760394.db2.gz CGWGTCJBRDUXGY-UHFFFAOYSA-N 0 0 446.981 5.423 50 0 IKAARN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004073275 568760452 /nfs/dbraw/zinc/76/04/52/568760452.db2.gz WAIQWYALYSCYLA-AZTIFOECSA-N 0 0 426.729 8.455 50 0 biogenic IKAARN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000004073274 568760494 /nfs/dbraw/zinc/76/04/94/568760494.db2.gz WAIQWYALYSCYLA-HUKBQCLJSA-N 0 0 426.729 8.455 50 0 biogenic IKAARN O=C1C[C@@H](c2ccc(Br)s2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587404 568760606 /nfs/dbraw/zinc/76/06/06/568760606.db2.gz GNDSIODIESEPIL-OAHLLOKOSA-N 0 0 437.362 5.988 50 0 IKAARN Cc1c(-c2ccccc2)sc2[nH]c(SCC(=O)Nc3c(C)cccc3C)nc(=O)c12 ZINC000015379137 568761110 /nfs/dbraw/zinc/76/11/10/568761110.db2.gz SIFLAQXFYPYDIG-UHFFFAOYSA-N 0 0 435.574 5.308 50 0 IKAARN O=C(c1ccccc1)[C@@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 ZINC000015379141 568761140 /nfs/dbraw/zinc/76/11/40/568761140.db2.gz MMORBMNHIGBMFN-NRFANRHFSA-N 0 0 432.570 5.580 50 0 IKAARN O=C(N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1csc(-c2ccccc2F)n1 ZINC000078418071 568761176 /nfs/dbraw/zinc/76/11/76/568761176.db2.gz MWVDJYGRTHBXHL-HXUWFJFHSA-N 0 0 425.435 5.142 50 0 IKAARN COc1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1Cl ZINC000001240100 568774501 /nfs/dbraw/zinc/77/45/01/568774501.db2.gz NCTRPDRTUOQXOA-UHFFFAOYSA-N 0 0 432.499 5.264 50 0 IKAARN Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3 ZINC000001248571 568774954 /nfs/dbraw/zinc/77/49/54/568774954.db2.gz SLNXLPZSCSDCDA-UHFFFAOYSA-N 0 0 433.602 6.437 50 0 IKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1)CCCC3 ZINC000001248746 568774966 /nfs/dbraw/zinc/77/49/66/568774966.db2.gz UDNIHCURWLZCGN-UHFFFAOYSA-N 0 0 438.405 5.916 50 0 IKAARN CC(C)Oc1ccc(CSc2nc3sc4c(c3c(N)n2)C[C@@H](C(C)C)OC4)cc1 ZINC000001250881 568775037 /nfs/dbraw/zinc/77/50/37/568775037.db2.gz YLTRLJLMYLJKDQ-KRWDZBQOSA-N 0 0 429.611 5.450 50 0 IKAARN Cc1cc(OC(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc(=O)o1 ZINC000004105231 568775083 /nfs/dbraw/zinc/77/50/83/568775083.db2.gz NHJWNIOPWXFWJV-JXMROGBWSA-N 0 0 430.378 5.165 50 0 IKAARN COc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000001254426 568775220 /nfs/dbraw/zinc/77/52/20/568775220.db2.gz IFMZZZWTDXEPCS-QFIPXVFZSA-N 0 0 445.906 5.790 50 0 IKAARN COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)cc2c1 ZINC000001254482 568775230 /nfs/dbraw/zinc/77/52/30/568775230.db2.gz SFNLIWZDOFLBGF-QFIPXVFZSA-N 0 0 445.906 5.790 50 0 IKAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001264232 568775481 /nfs/dbraw/zinc/77/54/81/568775481.db2.gz HGYVRYCUYDSGJK-RMKNXTFCSA-N 0 0 440.286 5.857 50 0 IKAARN Cc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(C)cc3)C(=O)N(C3CCCC3)C2(C)C)cc1 ZINC000001278391 568775979 /nfs/dbraw/zinc/77/59/79/568775979.db2.gz VJEBRRFJUZARAN-JOCHJYFZSA-N 0 0 436.556 5.516 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)N=C1c1ccccc1 ZINC000263615292 568776008 /nfs/dbraw/zinc/77/60/08/568776008.db2.gz BQMRNWITOAFTGC-UHFFFAOYSA-N 0 0 441.000 5.709 50 0 IKAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)c1 ZINC000263615464 568776026 /nfs/dbraw/zinc/77/60/26/568776026.db2.gz CNTYHBRHPITCDY-QGZVFWFLSA-N 0 0 430.361 5.030 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)N=C1c1ccccc1 ZINC000263617255 568777086 /nfs/dbraw/zinc/77/70/86/568777086.db2.gz MYBSLDPQRFWCLA-UHFFFAOYSA-N 0 0 426.973 5.237 50 0 IKAARN Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c2CO1 ZINC000263618525 568777657 /nfs/dbraw/zinc/77/76/57/568777657.db2.gz UEOKLHWIURXNTA-QGZVFWFLSA-N 0 0 430.361 5.030 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263619692 568778378 /nfs/dbraw/zinc/77/83/78/568778378.db2.gz ZZUFYBYOBIFEIS-GOSISDBHSA-N 0 0 446.816 5.544 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)c4ccc(Br)cc4)c(N)c3cc2C(=O)C1 ZINC000001298977 568778632 /nfs/dbraw/zinc/77/86/32/568778632.db2.gz WYJQPVKYRXGPER-UHFFFAOYSA-N 0 0 429.339 5.027 50 0 IKAARN CCOc1ccc([C@@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000001298111 568778784 /nfs/dbraw/zinc/77/87/84/568778784.db2.gz WAJKDEVMUTYZLI-HSZRJFAPSA-N 0 0 447.560 6.205 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C ZINC000001298130 568778837 /nfs/dbraw/zinc/77/88/37/568778837.db2.gz XXDRSVFODXQWQP-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN CSc1ccc([C@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000001298116 568778842 /nfs/dbraw/zinc/77/88/42/568778842.db2.gz BDZCKMQGXQONBZ-QFIPXVFZSA-N 0 0 449.601 6.529 50 0 IKAARN O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000083315461 568779425 /nfs/dbraw/zinc/77/94/25/568779425.db2.gz QTXBJDPCBHSZTO-BKUYFWCQSA-N 0 0 439.895 6.299 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000001320549 568779876 /nfs/dbraw/zinc/77/98/76/568779876.db2.gz HZVMPAWGOGNNRP-HHHXNRCGSA-N 0 0 431.507 5.131 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccc(F)cc1 ZINC000001320621 568779907 /nfs/dbraw/zinc/77/99/07/568779907.db2.gz YCHPHUNOFJBUBR-QHCPKHFHSA-N 0 0 444.289 5.140 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(OC)cc1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001321309 568780080 /nfs/dbraw/zinc/78/00/80/568780080.db2.gz KJJRMMJUEQODIL-UHFFFAOYSA-N 0 0 444.483 5.381 50 0 IKAARN Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2Cc1c(Cl)cccc1Cl ZINC000032100457 568780349 /nfs/dbraw/zinc/78/03/49/568780349.db2.gz YQHFUNCDLVOOMU-UHFFFAOYSA-N 0 0 445.331 5.338 50 0 IKAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1Cl ZINC000032106638 568781300 /nfs/dbraw/zinc/78/13/00/568781300.db2.gz OIZDQKMXECVEMS-OAHLLOKOSA-N 0 0 431.279 5.037 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000032106286 568781305 /nfs/dbraw/zinc/78/13/05/568781305.db2.gz OKHOJKCULZWJJV-MRXNPFEDSA-N 0 0 432.377 5.188 50 0 IKAARN Fc1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000004145346 568781941 /nfs/dbraw/zinc/78/19/41/568781941.db2.gz QFRHNEMNVGQGKZ-UHFFFAOYSA-N 0 0 430.430 5.780 50 0 IKAARN COc1ccccc1-n1c(SCc2ccccc2Cl)nnc1-c1ccccc1Cl ZINC000004144725 568781948 /nfs/dbraw/zinc/78/19/48/568781948.db2.gz OUBGQNPUZHBCRI-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 ZINC000004144740 568781964 /nfs/dbraw/zinc/78/19/64/568781964.db2.gz GRYIOLFKHDANFF-UHFFFAOYSA-N 0 0 434.323 6.574 50 0 IKAARN OC1(c2ccc(C3(O)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21 ZINC000004565997 568782128 /nfs/dbraw/zinc/78/21/28/568782128.db2.gz UCHAOVAXQZEEHM-UHFFFAOYSA-N 0 0 438.526 6.216 50 0 IKAARN CCc1nc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)s1 ZINC000083830229 568782593 /nfs/dbraw/zinc/78/25/93/568782593.db2.gz VNPQRZXSWGUAQR-UHFFFAOYSA-N 0 0 439.968 5.399 50 0 IKAARN CCc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 ZINC000083820403 568782615 /nfs/dbraw/zinc/78/26/15/568782615.db2.gz BCZLULWDBJTBHC-JOCHJYFZSA-N 0 0 439.563 6.221 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000045942130 568783613 /nfs/dbraw/zinc/78/36/13/568783613.db2.gz PRWUJTQETKSHQJ-XMMPIXPASA-N 0 0 433.479 5.204 50 0 IKAARN CCOc1ccccc1-c1nc(COc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c(C)o1 ZINC000045995715 568784014 /nfs/dbraw/zinc/78/40/14/568784014.db2.gz LQHGLXNANVJXHG-UHFFFAOYSA-N 0 0 446.429 5.237 50 0 IKAARN O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)NCc1cccs1 ZINC000001383695 568784047 /nfs/dbraw/zinc/78/40/47/568784047.db2.gz RGGUXTAIIQPDLL-KPKJPENVSA-N 0 0 428.351 5.419 50 0 IKAARN OC(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1 ZINC000001385788 568784542 /nfs/dbraw/zinc/78/45/42/568784542.db2.gz UHIAUOCUQCGNEW-UHFFFAOYSA-N 0 0 434.218 5.457 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)co2)cc1 ZINC000025829517 568784559 /nfs/dbraw/zinc/78/45/59/568784559.db2.gz QDGROZXGMNJZMM-UHFFFAOYSA-N 0 0 443.507 5.475 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c1 ZINC000001389675 568784873 /nfs/dbraw/zinc/78/48/73/568784873.db2.gz QITADYWDSARWAF-UHFFFAOYSA-N 0 0 433.895 5.462 50 0 IKAARN COc1ccccc1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 ZINC000046022300 568785017 /nfs/dbraw/zinc/78/50/17/568785017.db2.gz PDRLOAAMGIWHJB-UHFFFAOYSA-N 0 0 427.595 5.380 50 0 IKAARN Cn1nc(C(F)(F)F)c(COC(=O)Nc2ccc(Cl)cc2)c1Oc1ccccc1 ZINC000001391443 568785114 /nfs/dbraw/zinc/78/51/14/568785114.db2.gz SUNUKPLDPVWFBN-UHFFFAOYSA-N 0 0 425.794 5.633 50 0 IKAARN O=C(Nc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000001392030 568785333 /nfs/dbraw/zinc/78/53/33/568785333.db2.gz WKAJLWHPNIJUDZ-UHFFFAOYSA-N 0 0 425.237 6.250 50 0 IKAARN CCSc1nnc(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)n1C ZINC000001392029 568785358 /nfs/dbraw/zinc/78/53/58/568785358.db2.gz JTYICSOYKKQCMJ-UHFFFAOYSA-N 0 0 426.514 5.951 50 0 IKAARN COc1ccc(Oc2cnn(-c3cc(Cl)ccc3Cl)c(=O)c2Br)cc1 ZINC000001393649 568785459 /nfs/dbraw/zinc/78/54/59/568785459.db2.gz KISBQXIRSGXUFD-UHFFFAOYSA-N 0 0 442.096 5.103 50 0 IKAARN CCOC(=O)c1cnc(SC)nc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001398538 568785775 /nfs/dbraw/zinc/78/57/75/568785775.db2.gz XRMNOGGMWAUPAE-UHFFFAOYSA-N 0 0 425.354 5.156 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000001400088 568785989 /nfs/dbraw/zinc/78/59/89/568785989.db2.gz MUJGKAZKTVMMOS-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN O=S(=O)(c1cnn(-c2ccc(F)cc2F)c1-c1ccc(Cl)cc1)c1ccccc1 ZINC000001396940 568786037 /nfs/dbraw/zinc/78/60/37/568786037.db2.gz VSRKAZVXOTZJOS-UHFFFAOYSA-N 0 0 430.863 5.304 50 0 IKAARN O=S(=O)(c1cnn(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001396983 568786184 /nfs/dbraw/zinc/78/61/84/568786184.db2.gz DPANOXJVVWVZHC-UHFFFAOYSA-N 0 0 429.328 5.679 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000001403576 568786659 /nfs/dbraw/zinc/78/66/59/568786659.db2.gz GOBHPKLONANCHZ-UHFFFAOYSA-N 0 0 440.874 5.454 50 0 IKAARN COc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(=O)C(F)(F)F)n2)cc1 ZINC000001404447 568786693 /nfs/dbraw/zinc/78/66/93/568786693.db2.gz GHIWUAFKXJNFIH-UHFFFAOYSA-N 0 0 444.438 5.172 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(I)cc1 ZINC000001403710 568786703 /nfs/dbraw/zinc/78/67/03/568786703.db2.gz AOQHJVMRNBQXED-UHFFFAOYSA-N 0 0 440.240 5.352 50 0 IKAARN O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1cc(Cl)ccc1Cl ZINC000001405210 568786845 /nfs/dbraw/zinc/78/68/45/568786845.db2.gz QQUVXHZOBMPBHF-UHFFFAOYSA-N 0 0 440.377 5.715 50 0 IKAARN O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000001405213 568786849 /nfs/dbraw/zinc/78/68/49/568786849.db2.gz JZLXPAGVVLNRRP-UHFFFAOYSA-N 0 0 440.377 5.715 50 0 IKAARN COc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3N)n2)cc1 ZINC000001405144 568786952 /nfs/dbraw/zinc/78/69/52/568786952.db2.gz NWVLQSRUXBBCFY-UHFFFAOYSA-N 0 0 427.327 5.016 50 0 IKAARN CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000001407713 568787321 /nfs/dbraw/zinc/78/73/21/568787321.db2.gz DSCCTLQRRFTYSE-HSZRJFAPSA-N 0 0 439.968 5.045 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(O)cc1)N(CC(C)C)C(=O)c1ccccc1F ZINC000001410272 568787839 /nfs/dbraw/zinc/78/78/39/568787839.db2.gz LVEDZTBSEQJUJV-RUZDIDTESA-N 0 0 448.538 5.626 50 0 IKAARN O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000001172531 568788216 /nfs/dbraw/zinc/78/82/16/568788216.db2.gz JJGYKKHAFBIQDD-UHFFFAOYSA-N 0 0 428.271 5.285 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000001846595 568788440 /nfs/dbraw/zinc/78/84/40/568788440.db2.gz NQCINJNNGLYMCP-HSZRJFAPSA-N 0 0 429.299 5.848 50 0 IKAARN COc1cccc(Nc2nnc(SCC(=O)N[C@H](C)c3cc4ccccc4o3)s2)c1 ZINC000019181622 568789749 /nfs/dbraw/zinc/78/97/49/568789749.db2.gz KVLOXASTCQXRIC-CYBMUJFWSA-N 0 0 440.550 5.006 50 0 IKAARN COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)c3cc4ccccc4o3)s2)c1 ZINC000019181621 568789755 /nfs/dbraw/zinc/78/97/55/568789755.db2.gz KVLOXASTCQXRIC-ZDUSSCGKSA-N 0 0 440.550 5.006 50 0 IKAARN Cc1sc(CNC(=O)c2ccc(C3SCCS3)cc2)nc1-c1ccc(Cl)cc1 ZINC000084056960 568790446 /nfs/dbraw/zinc/79/04/46/568790446.db2.gz HGHIHKNEWGHHED-UHFFFAOYSA-N 0 0 447.050 6.181 50 0 IKAARN Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000084056837 568790450 /nfs/dbraw/zinc/79/04/50/568790450.db2.gz CWTCQGOZLJWLEY-UHFFFAOYSA-N 0 0 426.900 6.352 50 0 IKAARN Cc1nc2ccccc2nc1C[S@@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000084057630 568790516 /nfs/dbraw/zinc/79/05/16/568790516.db2.gz BSCNMFUNLMPING-MUUNZHRXSA-N 0 0 427.982 5.088 50 0 IKAARN CC(=O)Oc1cccc(-c2csc(-n3nc(-c4ccccn4)cc3C(F)(F)F)n2)c1 ZINC000001415824 568790602 /nfs/dbraw/zinc/79/06/02/568790602.db2.gz UFYMYLXVIQQQED-UHFFFAOYSA-N 0 0 430.411 5.002 50 0 IKAARN CC(=O)Oc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3C(F)(F)F)n2)cc1 ZINC000001415766 568790634 /nfs/dbraw/zinc/79/06/34/568790634.db2.gz VVARKJMBTRTNID-UHFFFAOYSA-N 0 0 443.450 5.915 50 0 IKAARN Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000084064799 568790720 /nfs/dbraw/zinc/79/07/20/568790720.db2.gz GXYXUDBGQADPEZ-INIZCTEOSA-N 0 0 426.954 5.143 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2)oc1C ZINC000084061825 568790805 /nfs/dbraw/zinc/79/08/05/568790805.db2.gz QSRHPZCGCWVLES-UHFFFAOYSA-N 0 0 426.398 5.415 50 0 IKAARN Cc1nc(C)c(-c2nnc(SCC[S@](=O)c3cc(Cl)ccc3Cl)o2)s1 ZINC000084062531 568791041 /nfs/dbraw/zinc/79/10/41/568791041.db2.gz OEEISXKPVAFUIF-RUZDIDTESA-N 0 0 434.395 5.017 50 0 IKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000084093416 568792538 /nfs/dbraw/zinc/79/25/38/568792538.db2.gz JAZSWOCRZVEXOP-UHFFFAOYSA-N 0 0 440.290 5.322 50 0 IKAARN Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 ZINC000084114710 568793545 /nfs/dbraw/zinc/79/35/45/568793545.db2.gz GOZLSYDJVDEWQT-NRFANRHFSA-N 0 0 425.536 5.967 50 0 IKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccc(OC)cc1)n1c2ccccc2nc1-3 ZINC000001424583 568793745 /nfs/dbraw/zinc/79/37/45/568793745.db2.gz NQFVMPSUWKLVOJ-QHCPKHFHSA-N 0 0 442.544 5.749 50 0 IKAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)c1cc(F)ccc1F ZINC000084124553 568793975 /nfs/dbraw/zinc/79/39/75/568793975.db2.gz HHPVGJDDSGDUCN-UHFFFAOYSA-N 0 0 438.858 5.656 50 0 IKAARN COc1ccc(CSc2nnc3cc(C)c4ccccc4n32)c(Br)c1OC ZINC000084129459 568794190 /nfs/dbraw/zinc/79/41/90/568794190.db2.gz HMDUJAXQVMBYGD-UHFFFAOYSA-N 0 0 444.354 5.263 50 0 IKAARN COc1ccc2nc(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cnccn3)sc2c1 ZINC000012752869 568795591 /nfs/dbraw/zinc/79/55/91/568795591.db2.gz MOURTYWGLACWGG-UHFFFAOYSA-N 0 0 445.331 5.249 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(OC(=S)N(CC(C)C)CC(C)C)cc2)cc1 ZINC000001434834 568795783 /nfs/dbraw/zinc/79/57/83/568795783.db2.gz BZZSPRFUEFCMES-UHFFFAOYSA-N 0 0 428.598 5.615 50 0 IKAARN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)Cc1ccccc1Cl ZINC000084224877 568796242 /nfs/dbraw/zinc/79/62/42/568796242.db2.gz ISRHMEIWYLFGNV-UHFFFAOYSA-N 0 0 435.930 6.566 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)c1 ZINC000084211051 568796257 /nfs/dbraw/zinc/79/62/57/568796257.db2.gz COSYXTBQOWRANO-IBGZPJMESA-N 0 0 447.510 5.809 50 0 IKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2cc(Cl)ccc2O)s1 ZINC000084296831 568796663 /nfs/dbraw/zinc/79/66/63/568796663.db2.gz FRUUQGQTHWEVGD-UHFFFAOYSA-N 0 0 431.926 5.496 50 0 IKAARN Cc1csc(CCCNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)n1 ZINC000084268270 568796862 /nfs/dbraw/zinc/79/68/62/568796862.db2.gz NUOQIXSXRAIIGI-UHFFFAOYSA-N 0 0 426.542 5.622 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000004212806 568796918 /nfs/dbraw/zinc/79/69/18/568796918.db2.gz YNSJEUUAINCUAX-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN O=[S@@](CCSc1nnc2c(Cl)cc(Cl)cn12)c1cc(Cl)ccc1Cl ZINC000084343898 568797227 /nfs/dbraw/zinc/79/72/27/568797227.db2.gz FECHMJWNKPIYAI-XMMPIXPASA-N 0 0 441.192 5.243 50 0 IKAARN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000084374602 568797516 /nfs/dbraw/zinc/79/75/16/568797516.db2.gz MZXXVAHDYLOHKR-UHFFFAOYSA-N 0 0 437.348 5.443 50 0 IKAARN O=C(Nc1cccc(C2SCCCS2)c1)Nc1cccc(C2SCCCS2)c1 ZINC000084374455 568797528 /nfs/dbraw/zinc/79/75/28/568797528.db2.gz HKRSBMGENWJBNQ-UHFFFAOYSA-N 0 0 448.704 7.068 50 0 IKAARN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000084392818 568797727 /nfs/dbraw/zinc/79/77/27/568797727.db2.gz SCBCPRWADSDPSV-IINYFYTJSA-N 0 0 438.113 5.484 50 0 IKAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)N1CCC[C@@H]1c1ccncc1 ZINC000084419497 568797854 /nfs/dbraw/zinc/79/78/54/568797854.db2.gz RDMWOZGJLLKASA-LJQANCHMSA-N 0 0 426.314 5.151 50 0 IKAARN Nc1c(Cl)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1Cl ZINC000084421871 568797992 /nfs/dbraw/zinc/79/79/92/568797992.db2.gz IYEUHGKXYIIPAY-UHFFFAOYSA-N 0 0 429.716 5.010 50 0 IKAARN O=C(Nc1ccc(-c2nccs2)cc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000084421791 568798011 /nfs/dbraw/zinc/79/80/11/568798011.db2.gz YDDHXFCRRNZMPZ-GOSISDBHSA-N 0 0 444.354 5.178 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1C ZINC000001435729 568798933 /nfs/dbraw/zinc/79/89/33/568798933.db2.gz GLAFXXOVNFFXOD-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000084600580 568799073 /nfs/dbraw/zinc/79/90/73/568799073.db2.gz IYEQDVLUTKABIV-SECBINFHSA-N 0 0 447.174 6.282 50 0 IKAARN O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000084603774 568799119 /nfs/dbraw/zinc/79/91/19/568799119.db2.gz BDAZVGFJAZZOON-LJQANCHMSA-N 0 0 443.450 5.236 50 0 IKAARN CCOc1ccc(Oc2ccc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)cc2)cc1 ZINC000015607011 568799456 /nfs/dbraw/zinc/79/94/56/568799456.db2.gz QZKYKOQKQWUCLG-SANMLTNESA-N 0 0 442.515 5.780 50 0 IKAARN O=C(Nc1nc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cs1)c1ccc(F)cc1 ZINC000015634708 568800184 /nfs/dbraw/zinc/80/01/84/568800184.db2.gz SYMZYUSHECHAQD-UHFFFAOYSA-N 0 0 435.455 5.593 50 0 IKAARN CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734889 568800457 /nfs/dbraw/zinc/80/04/57/568800457.db2.gz RWADQZYTTSZRKV-KRWDZBQOSA-N 0 0 448.748 5.353 50 0 IKAARN CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734891 568800607 /nfs/dbraw/zinc/80/06/07/568800607.db2.gz RWADQZYTTSZRKV-QGZVFWFLSA-N 0 0 448.748 5.353 50 0 IKAARN CC[C@@H](NC(=O)c1cc(SC)ccc1C)c1noc(-c2cccc(Br)c2)n1 ZINC000084734904 568800616 /nfs/dbraw/zinc/80/06/16/568800616.db2.gz ATPUZBOTRZSWFU-QGZVFWFLSA-N 0 0 446.370 5.411 50 0 IKAARN CC[C@H](NC(=O)c1cc(SC)ccc1C)c1noc(-c2cccc(Br)c2)n1 ZINC000084734902 568800639 /nfs/dbraw/zinc/80/06/39/568800639.db2.gz ATPUZBOTRZSWFU-KRWDZBQOSA-N 0 0 446.370 5.411 50 0 IKAARN Cc1cc(Nc2ccc(C(N)=O)cc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000015670904 568802276 /nfs/dbraw/zinc/80/22/76/568802276.db2.gz ICXHSJHYBCWYFR-UHFFFAOYSA-N 0 0 445.832 5.219 50 0 IKAARN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCC[C@@H]1c1ccccc1F ZINC000015671026 568802354 /nfs/dbraw/zinc/80/23/54/568802354.db2.gz DOECBCCNWTXFJJ-QGZVFWFLSA-N 0 0 444.388 5.125 50 0 IKAARN CCN1c2cc(NC(=O)NCc3cccc(Cl)c3)ccc2Sc2ccccc2C1=O ZINC000015671858 568802784 /nfs/dbraw/zinc/80/27/84/568802784.db2.gz WRSGVCUYZZHVDW-UHFFFAOYSA-N 0 0 437.952 5.793 50 0 IKAARN CCN1c2cc(NC(=O)N3CCc4ccccc4C3)ccc2Sc2ccccc2C1=O ZINC000015671853 568803012 /nfs/dbraw/zinc/80/30/12/568803012.db2.gz NCTMRNBMYMHMCZ-UHFFFAOYSA-N 0 0 429.545 5.408 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1C ZINC000015672676 568803107 /nfs/dbraw/zinc/80/31/07/568803107.db2.gz YKXFHHSDWWKWER-AGTLBBOYSA-N 0 0 449.620 5.434 50 0 IKAARN CCN1c2cc(NC(=O)NCc3cccc(OC)c3)ccc2Sc2ccccc2C1=O ZINC000015671907 568803177 /nfs/dbraw/zinc/80/31/77/568803177.db2.gz ZWQAFQCLXJQADQ-UHFFFAOYSA-N 0 0 433.533 5.148 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000015672627 568803240 /nfs/dbraw/zinc/80/32/40/568803240.db2.gz CTNCNQBZFNHOCS-ADLZZSLISA-N 0 0 449.620 5.379 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C ZINC000015672678 568803242 /nfs/dbraw/zinc/80/32/42/568803242.db2.gz YKXFHHSDWWKWER-ADLZZSLISA-N 0 0 449.620 5.434 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCCC1 ZINC000015672911 568803291 /nfs/dbraw/zinc/80/32/91/568803291.db2.gz IBZVSXRRVUQDTL-RUZDIDTESA-N 0 0 441.641 5.479 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000015672964 568803339 /nfs/dbraw/zinc/80/33/39/568803339.db2.gz STLZXSSQWOVEOH-SANMLTNESA-N 0 0 449.620 5.578 50 0 IKAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC(C)C)C3=O)s1 ZINC000015673066 568803365 /nfs/dbraw/zinc/80/33/65/568803365.db2.gz KKXKKSMDLRERHQ-RUZDIDTESA-N 0 0 443.657 5.365 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000015672425 568803380 /nfs/dbraw/zinc/80/33/80/568803380.db2.gz JKDKGNQDWMGCKJ-SANMLTNESA-N 0 0 449.620 5.694 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1C ZINC000015672448 568803409 /nfs/dbraw/zinc/80/34/09/568803409.db2.gz LRENUVZPRGOGPY-GTIOVZTQSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015675462 568803663 /nfs/dbraw/zinc/80/36/63/568803663.db2.gz LRSQGFGEPREZQW-HHHXNRCGSA-N 0 0 447.579 5.187 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000015675475 568803744 /nfs/dbraw/zinc/80/37/44/568803744.db2.gz TXMIGKXGVMHTJK-HHHXNRCGSA-N 0 0 447.579 5.499 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)c(C)c1 ZINC000015675479 568803773 /nfs/dbraw/zinc/80/37/73/568803773.db2.gz KHAOEBMRXOGPLK-HHHXNRCGSA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(CCC(C)C)C3=O)o1 ZINC000015675737 568803975 /nfs/dbraw/zinc/80/39/75/568803975.db2.gz HEVQAVCQYLHSJT-VWLOTQADSA-N 0 0 427.589 5.032 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675563 568804111 /nfs/dbraw/zinc/80/41/11/568804111.db2.gz NCZNJUQJZXPVIQ-HHHXNRCGSA-N 0 0 447.579 5.187 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015675545 568804241 /nfs/dbraw/zinc/80/42/41/568804241.db2.gz IKSNVRJWYRTHOX-SANMLTNESA-N 0 0 433.552 5.191 50 0 IKAARN CCCN1C(=O)c2cc3occc3n2C[C@@]1(C(=O)NC1CCCCCCC1)c1ccccc1 ZINC000015677126 568804373 /nfs/dbraw/zinc/80/43/73/568804373.db2.gz REPRNFAFRHGAAF-MHZLTWQESA-N 0 0 447.579 5.225 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000015676990 568804401 /nfs/dbraw/zinc/80/44/01/568804401.db2.gz IBOCUSIGEWVHNF-NDEPHWFRSA-N 0 0 443.591 5.516 50 0 IKAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(C1CCCCCC1)C2=O ZINC000015676630 568804414 /nfs/dbraw/zinc/80/44/14/568804414.db2.gz MXSPCVLLRSZMKL-AREMUKBSSA-N 0 0 442.648 5.173 50 0 IKAARN CCN(CCCNC(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2)c1ccccc1 ZINC000015677684 568804757 /nfs/dbraw/zinc/80/47/57/568804757.db2.gz OXPDTHPTHAKPMJ-UHFFFAOYSA-N 0 0 430.596 5.231 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1C1CCCC1 ZINC000015678243 568804763 /nfs/dbraw/zinc/80/47/63/568804763.db2.gz GDTUCZZIJIANCP-AREMUKBSSA-N 0 0 437.584 5.134 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1C1CCCC1 ZINC000015678242 568804801 /nfs/dbraw/zinc/80/48/01/568804801.db2.gz GDTUCZZIJIANCP-SANMLTNESA-N 0 0 437.584 5.134 50 0 IKAARN COc1ccc(CNC(=O)CCc2cn(Cc3ccccc3C)c3ccccc23)cc1OC ZINC000015678437 568805218 /nfs/dbraw/zinc/80/52/18/568805218.db2.gz MDTZLAAGJBJLJQ-UHFFFAOYSA-N 0 0 442.559 5.264 50 0 biogenic IKAARN Cc1ccccc1Cn1cc(CCC(=O)NCc2ccc(OC(C)C)cc2)c2ccccc21 ZINC000015678440 568805220 /nfs/dbraw/zinc/80/52/20/568805220.db2.gz FLSKYANKQBZDIY-UHFFFAOYSA-N 0 0 440.587 6.034 50 0 IKAARN Cc1cccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1C ZINC000015679444 568805252 /nfs/dbraw/zinc/80/52/52/568805252.db2.gz CZFZMFHDMOQPPO-UHFFFAOYSA-N 0 0 449.555 5.069 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3nc(-c4cccc(F)c4)n4c3CCCCC4)C[C@H]2C)cc1 ZINC000015679106 568805468 /nfs/dbraw/zinc/80/54/68/568805468.db2.gz MPLBHGDREITMDF-HXUWFJFHSA-N 0 0 446.570 5.075 50 0 IKAARN O=C(c1nc(-c2cccc(F)c2)n2c1CCCCC2)N1CCC(Cc2ccccc2)CC1 ZINC000015679082 568805485 /nfs/dbraw/zinc/80/54/85/568805485.db2.gz AETVARIDVQKCRI-UHFFFAOYSA-N 0 0 431.555 5.511 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000015679818 568805937 /nfs/dbraw/zinc/80/59/37/568805937.db2.gz LMZHSRVDZCSORF-QGZVFWFLSA-N 0 0 448.567 5.439 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)c(C)c1 ZINC000015681340 568806394 /nfs/dbraw/zinc/80/63/94/568806394.db2.gz VZSUMEFFXSMMIU-UHFFFAOYSA-N 0 0 427.552 5.378 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)cc1 ZINC000015682106 568806832 /nfs/dbraw/zinc/80/68/32/568806832.db2.gz GYZXBJRWHWJXBK-UHFFFAOYSA-N 0 0 426.516 6.352 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)nc1COc1ccc(C)cc1 ZINC000015682113 568806885 /nfs/dbraw/zinc/80/68/85/568806885.db2.gz IOIGRQJVVVYSJR-UHFFFAOYSA-N 0 0 426.516 6.407 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc(-c2nc(COc3ccccc3)c(C)o2)cc1 ZINC000015682091 568806894 /nfs/dbraw/zinc/80/68/94/568806894.db2.gz KFSMXXYJGNBDHM-UHFFFAOYSA-N 0 0 442.515 5.558 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)nc1COc1ccc(C)cc1 ZINC000015682120 568806930 /nfs/dbraw/zinc/80/69/30/568806930.db2.gz NDRYNCHXJRHMCI-UHFFFAOYSA-N 0 0 426.516 6.407 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)nc1COc1ccccc1 ZINC000015682066 568806939 /nfs/dbraw/zinc/80/69/39/568806939.db2.gz DXRBEIQZTOFSDY-UHFFFAOYSA-N 0 0 446.934 5.855 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682132 568807017 /nfs/dbraw/zinc/80/70/17/568807017.db2.gz VTCYLZXNTRSLFR-HXUWFJFHSA-N 0 0 440.543 6.071 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc1 ZINC000015682265 568807018 /nfs/dbraw/zinc/80/70/18/568807018.db2.gz GPYMKTBRUCECGB-UHFFFAOYSA-N 0 0 442.584 6.435 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3C)cc2)nc1CSc1ccccc1 ZINC000015682263 568807044 /nfs/dbraw/zinc/80/70/44/568807044.db2.gz RIXHXEZOKJTNHI-UHFFFAOYSA-N 0 0 428.557 6.181 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccccc3C)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000015682312 568807099 /nfs/dbraw/zinc/80/70/99/568807099.db2.gz DPABBBFUKMTDQV-UHFFFAOYSA-N 0 0 446.528 5.185 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)nc1CSc1ccccc1 ZINC000015682264 568807126 /nfs/dbraw/zinc/80/71/26/568807126.db2.gz STSFASFVLJFDSI-UHFFFAOYSA-N 0 0 432.520 6.011 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000005174293 568807364 /nfs/dbraw/zinc/80/73/64/568807364.db2.gz BHFXPRVOVPIQGF-UHFFFAOYSA-N 0 0 428.576 6.786 50 0 IKAARN COC(=O)c1c(C)n(CCOc2cc(C)ccc2C(C)C)c2c1cc(O)c1ccccc21 ZINC000001440219 568807570 /nfs/dbraw/zinc/80/75/70/568807570.db2.gz AKXNVGKQSLVZMW-UHFFFAOYSA-N 0 0 431.532 6.106 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](c1cccs1)N1Cc2ccccc2C1=O ZINC000015721203 568811926 /nfs/dbraw/zinc/81/19/26/568811926.db2.gz NEJWLCQSMKRXMY-IBGZPJMESA-N 0 0 440.952 5.444 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)C[C@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O ZINC000015721593 568812125 /nfs/dbraw/zinc/81/21/25/568812125.db2.gz XQYIGLXTSJGIHS-JOCHJYFZSA-N 0 0 434.923 5.383 50 0 IKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3c2C)c1 ZINC000015729407 568813444 /nfs/dbraw/zinc/81/34/44/568813444.db2.gz VEIOVEDWLKRJMT-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(OC)c(OC)c4)c(C)c3c2)c1 ZINC000015729519 568813458 /nfs/dbraw/zinc/81/34/58/568813458.db2.gz JOKJHAKLUSNEJQ-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)cc1OC ZINC000015729389 568813459 /nfs/dbraw/zinc/81/34/59/568813459.db2.gz HUSGTIHZOARWSG-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2)cc1OC ZINC000015729506 568813515 /nfs/dbraw/zinc/81/35/15/568813515.db2.gz QCVDEQJRIYDQMA-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)/C=C/c4ccccc4)ccc3c2C)cc1OC ZINC000015729398 568813530 /nfs/dbraw/zinc/81/35/30/568813530.db2.gz TWNYSKFKTOHKNK-NTEUORMPSA-N 0 0 441.483 5.641 50 0 IKAARN O=C(Nc1cc(F)ccc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000015732110 568815071 /nfs/dbraw/zinc/81/50/71/568815071.db2.gz CCXNCYBKKRIHJH-QHCPKHFHSA-N 0 0 437.877 6.279 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000015732177 568815130 /nfs/dbraw/zinc/81/51/30/568815130.db2.gz GOFCXRRZLNNAHM-DFFJHKNISA-N 0 0 443.616 6.122 50 0 IKAARN CCOc1ccc(OCC)c(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000015733646 568815840 /nfs/dbraw/zinc/81/58/40/568815840.db2.gz XQXVLWWQUSXRSS-HSZRJFAPSA-N 0 0 433.483 5.875 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cc(C)ccc1C ZINC000015733490 568815845 /nfs/dbraw/zinc/81/58/45/568815845.db2.gz BUXIGIBVNZKWPS-QFIPXVFZSA-N 0 0 427.504 5.817 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733468 568815883 /nfs/dbraw/zinc/81/58/83/568815883.db2.gz VGJPNSQIQXUWJB-UHFFFAOYSA-N 0 0 443.890 6.599 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1c(C)cc(C)cc1C ZINC000015733496 568815895 /nfs/dbraw/zinc/81/58/95/568815895.db2.gz BIVDOAYAQHXBRD-QFIPXVFZSA-N 0 0 441.531 6.125 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733480 568815929 /nfs/dbraw/zinc/81/59/29/568815929.db2.gz MOWFLDKEGLLSNS-NRFANRHFSA-N 0 0 443.503 5.598 50 0 IKAARN Cc1noc(NCc2cc(Cl)cc(Cl)c2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000085391941 568816725 /nfs/dbraw/zinc/81/67/25/568816725.db2.gz KMNHMVRJEHOQBQ-UHFFFAOYSA-N 0 0 444.240 6.173 50 0 IKAARN CC[C@@H](C)Sc1nnc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1CC ZINC000085392985 568816868 /nfs/dbraw/zinc/81/68/68/568816868.db2.gz ISPPTXPETFPMPC-MRXNPFEDSA-N 0 0 440.594 5.047 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3c(c4cc(C)ccc4n3CCc3ccccc3)C2)cc1 ZINC000085392269 568817019 /nfs/dbraw/zinc/81/70/19/568817019.db2.gz LTTXAAGQFIYZOF-UHFFFAOYSA-N 0 0 444.600 5.248 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)cc1C ZINC000015735607 568817033 /nfs/dbraw/zinc/81/70/33/568817033.db2.gz WCBULKYBAPUXEG-XMMPIXPASA-N 0 0 433.621 6.779 50 0 IKAARN COc1ccccc1Oc1coc2cc(OCc3c(F)cccc3Cl)ccc2c1=O ZINC000001448086 568817484 /nfs/dbraw/zinc/81/74/84/568817484.db2.gz FEFRBVKAKLVLLM-UHFFFAOYSA-N 0 0 426.827 5.965 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OC(=O)c4cccs4)cc3oc2C(F)(F)F)cc1 ZINC000001448031 568817500 /nfs/dbraw/zinc/81/75/00/568817500.db2.gz UZEBCHXISMXCRZ-UHFFFAOYSA-N 0 0 446.402 5.768 50 0 IKAARN COC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 ZINC000001447885 568817647 /nfs/dbraw/zinc/81/76/47/568817647.db2.gz UZPQDOVVYSEHTI-UHFFFAOYSA-N 0 0 436.847 5.604 50 0 IKAARN COC(=O)c1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000001447880 568817655 /nfs/dbraw/zinc/81/76/55/568817655.db2.gz BOVSYYPNOYHWLW-UHFFFAOYSA-N 0 0 436.847 5.604 50 0 IKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1OC ZINC000001447702 568817672 /nfs/dbraw/zinc/81/76/72/568817672.db2.gz NIQWGEYMJKDFKT-UHFFFAOYSA-N 0 0 436.515 6.157 50 0 IKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3Cl)cc21 ZINC000001447851 568817700 /nfs/dbraw/zinc/81/77/00/568817700.db2.gz KGHOEPAOXOMKJO-UHFFFAOYSA-N 0 0 437.673 5.553 50 0 IKAARN Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CCC(=O)NCc4ccco4)n3c2)c1 ZINC000085409080 568817869 /nfs/dbraw/zinc/81/78/69/568817869.db2.gz VSOJJNWXLVYDFO-UHFFFAOYSA-N 0 0 449.554 6.127 50 0 IKAARN O=C(CCn1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21)NCc1ccccn1 ZINC000085405818 568817876 /nfs/dbraw/zinc/81/78/76/568817876.db2.gz BSNQQKFIPTVTRB-UHFFFAOYSA-N 0 0 439.346 5.035 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000085411755 568818005 /nfs/dbraw/zinc/81/80/05/568818005.db2.gz YCMTYKUDCAJKOE-FQEVSTJZSA-N 0 0 427.957 5.876 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000085412272 568818285 /nfs/dbraw/zinc/81/82/85/568818285.db2.gz GUNPRQCFUCYDTQ-FQEVSTJZSA-N 0 0 427.957 5.876 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1cc(F)c(F)c(F)c1F ZINC000001453222 568819044 /nfs/dbraw/zinc/81/90/44/568819044.db2.gz PGFSYBDRSZMGGO-UHFFFAOYSA-N 0 0 448.413 5.857 50 0 IKAARN O=C(CSc1nc2ccccc2o1)Nc1ncc(Cc2cccc3ccccc32)s1 ZINC000001454040 568819251 /nfs/dbraw/zinc/81/92/51/568819251.db2.gz ILVCYYBEIWNESZ-UHFFFAOYSA-N 0 0 431.542 5.759 50 0 IKAARN CC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(CCC(=O)NC(C)C)n3c2)cc1 ZINC000085420968 568819459 /nfs/dbraw/zinc/81/94/59/568819459.db2.gz FWNXFFZMNRKSLP-UHFFFAOYSA-N 0 0 439.559 5.637 50 0 IKAARN COc1cc([C@@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc(OC)c1OC ZINC000001463229 568819871 /nfs/dbraw/zinc/81/98/71/568819871.db2.gz LBTOIEPRLXKRFL-OAQYLSRUSA-N 0 0 448.993 6.534 50 0 IKAARN COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4nc5ccccc5s4)coc3c2C)c1 ZINC000001463818 568819974 /nfs/dbraw/zinc/81/99/74/568819974.db2.gz YEINXDLUTFRMEZ-UHFFFAOYSA-N 0 0 443.480 5.606 50 0 IKAARN COc1cc2cc(C(=O)Nc3ccc(C(C)=O)cc3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000001464109 568819994 /nfs/dbraw/zinc/81/99/94/568819994.db2.gz IMKZVDRTFBVPOU-UHFFFAOYSA-N 0 0 439.511 6.287 50 0 IKAARN O=c1c(Cl)c(-c2cn(-c3ccccc3)nc2-c2ccccc2)oc2ccc(Cl)cc12 ZINC000085429757 568820056 /nfs/dbraw/zinc/82/00/56/568820056.db2.gz YHGGAXUVNJWFIJ-UHFFFAOYSA-N 0 0 433.294 6.620 50 0 IKAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4OC(=O)c4ccccc4)[C@H]3CC[C@H]2C1 ZINC000247649447 568820280 /nfs/dbraw/zinc/82/02/80/568820280.db2.gz MCVIVMYFDOKJSH-QIXICHIMSA-N 0 0 438.608 6.186 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1cccc(C(F)(F)F)c1 ZINC000001465748 568820281 /nfs/dbraw/zinc/82/02/81/568820281.db2.gz WHMKNQRLIVUBFH-UHFFFAOYSA-N 0 0 445.491 6.108 50 0 IKAARN COc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001467589 568820359 /nfs/dbraw/zinc/82/03/59/568820359.db2.gz HFXDZKCCMFCYRT-UHFFFAOYSA-N 0 0 437.561 5.337 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nn2)c(C)c1C ZINC000013009765 568821923 /nfs/dbraw/zinc/82/19/23/568821923.db2.gz VDTDGBAWFSYQDT-UHFFFAOYSA-N 0 0 432.915 5.237 50 0 IKAARN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1sc2ccccc2c1Cl ZINC000001480421 568824243 /nfs/dbraw/zinc/82/42/43/568824243.db2.gz ZNJHFYHAZYYFCL-UHFFFAOYSA-N 0 0 431.945 5.947 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1cc(C)ccc1C ZINC000015783547 568826937 /nfs/dbraw/zinc/82/69/37/568826937.db2.gz PGUCBDDJASATCJ-SFTDATJTSA-N 0 0 448.592 5.068 50 0 IKAARN CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000015783622 568827246 /nfs/dbraw/zinc/82/72/46/568827246.db2.gz HTFJGDBBWXQQCN-GQWLDOHISA-N 0 0 448.592 5.150 50 0 IKAARN Cc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3ccc(CC(C)C)cc3)o2)n1 ZINC000085644033 568829035 /nfs/dbraw/zinc/82/90/35/568829035.db2.gz XFUQECCDLFQYHN-UHFFFAOYSA-N 0 0 436.533 5.477 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4Cl)no3)o2)cc1C ZINC000085644110 568829283 /nfs/dbraw/zinc/82/92/83/568829283.db2.gz IAIZYFNVWRVNPC-UHFFFAOYSA-N 0 0 442.924 5.549 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1OCC ZINC000015785129 568829963 /nfs/dbraw/zinc/82/99/63/568829963.db2.gz XMMZDJYROYHVIX-UHFFFAOYSA-N 0 0 448.494 5.404 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1Cl ZINC000085649426 568830759 /nfs/dbraw/zinc/83/07/59/568830759.db2.gz NDFSDQWBYOCEIY-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CCc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c(C)s2)no1 ZINC000085650174 568830790 /nfs/dbraw/zinc/83/07/90/568830790.db2.gz ICRHYUXGBLNARF-UHFFFAOYSA-N 0 0 436.493 5.075 50 0 IKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000085650233 568830872 /nfs/dbraw/zinc/83/08/72/568830872.db2.gz AGHZEEGTEJKOSQ-UHFFFAOYSA-N 0 0 448.504 5.472 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649718 568831048 /nfs/dbraw/zinc/83/10/48/568831048.db2.gz ICIQFOZEUCHRMJ-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3)n2)cc1 ZINC000085649669 568831055 /nfs/dbraw/zinc/83/10/55/568831055.db2.gz DJLYDYHGPOENSS-OAQYLSRUSA-N 0 0 436.559 5.947 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649707 568831080 /nfs/dbraw/zinc/83/10/80/568831080.db2.gz OIWRQFQFYXNQDP-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)n2)cc1 ZINC000085649634 568831088 /nfs/dbraw/zinc/83/10/88/568831088.db2.gz ONDOXYXPOKLJAA-RUZDIDTESA-N 0 0 434.543 6.003 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649895 568831255 /nfs/dbraw/zinc/83/12/55/568831255.db2.gz JHPIYWLGSNTPPO-UHFFFAOYSA-N 0 0 426.545 5.539 50 0 IKAARN COc1cc(Nc2nc(C(=O)N[C@@H](C)c3ccccc3)cc3occc32)cc(OC)c1OC ZINC000085651331 568831861 /nfs/dbraw/zinc/83/18/61/568831861.db2.gz SENJNFVOEUMFOD-HNNXBMFYSA-N 0 0 447.491 5.088 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccccc2Cl)C2CCCCC2)c1C ZINC000085712256 568835366 /nfs/dbraw/zinc/83/53/66/568835366.db2.gz NMDVWHXXFAYYGI-UHFFFAOYSA-N 0 0 431.964 5.828 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cccc(OC)c2)C2CCCCC2)c1C ZINC000085712254 568835372 /nfs/dbraw/zinc/83/53/72/568835372.db2.gz JNOMJZHEVRWOLO-UHFFFAOYSA-N 0 0 427.545 5.184 50 0 IKAARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000001508724 568835590 /nfs/dbraw/zinc/83/55/90/568835590.db2.gz BFRLHYLKJMAIOY-DEOSSOPVSA-N 0 0 434.536 5.160 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)c2ccc(OCC)cc2)c1C ZINC000085711615 568835676 /nfs/dbraw/zinc/83/56/76/568835676.db2.gz YNIUJIGPMBHHKP-UHFFFAOYSA-N 0 0 448.563 5.092 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2Cl)C(=O)c2cccc(F)c2)c1C ZINC000085711801 568835861 /nfs/dbraw/zinc/83/58/61/568835861.db2.gz GSPVODXGJHSCHR-UHFFFAOYSA-N 0 0 442.918 5.443 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Br)cc2F)sc2nc(-c3ccccc3)cn12 ZINC000015786512 568836148 /nfs/dbraw/zinc/83/61/48/568836148.db2.gz ZHHOVPXTMSOMOC-UHFFFAOYSA-N 0 0 430.302 5.525 50 0 IKAARN CC(=O)n1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c2cc(Br)ccc21 ZINC000001510766 568836464 /nfs/dbraw/zinc/83/64/64/568836464.db2.gz LAHICCHRTUXGKF-IUXPMGMMSA-N 0 0 443.684 5.062 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000001162236 568836629 /nfs/dbraw/zinc/83/66/29/568836629.db2.gz JCURBAYMCWUULG-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc2ccccc2c1 ZINC000002575852 568836903 /nfs/dbraw/zinc/83/69/03/568836903.db2.gz VQYHTUOERORXEX-UHFFFAOYSA-N 0 0 448.551 6.090 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101886603 568837209 /nfs/dbraw/zinc/83/72/09/568837209.db2.gz AYMQJCUBXGBAEU-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN COC(=O)C[C@@H](c1ccccc1)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000085876236 568837978 /nfs/dbraw/zinc/83/79/78/568837978.db2.gz GANPZDPJBQGNNC-NRFANRHFSA-N 0 0 444.483 5.172 50 0 biogenic IKAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccccc3)c3ccc(OC)c(OC)c3)c21 ZINC000085875731 568838111 /nfs/dbraw/zinc/83/81/11/568838111.db2.gz UGGXRUIKZULAOJ-HXUWFJFHSA-N 0 0 444.531 5.032 50 0 biogenic IKAARN CC(C)[C@H](C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000106679552 568839196 /nfs/dbraw/zinc/83/91/96/568839196.db2.gz PVSXJQQYPSBHFU-MOPGFXCFSA-N 0 0 439.987 5.866 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2ccc(OC)cc2)nn1-c1ccccc1 ZINC000015821200 568839812 /nfs/dbraw/zinc/83/98/12/568839812.db2.gz ZNRVKUNKEKKVMF-DEOSSOPVSA-N 0 0 427.504 5.344 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000015822582 568840048 /nfs/dbraw/zinc/84/00/48/568840048.db2.gz QVBDONRYVUZMQW-DEOSSOPVSA-N 0 0 432.976 6.331 50 0 IKAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000015823859 568840212 /nfs/dbraw/zinc/84/02/12/568840212.db2.gz FLGHNPPXYRMJEY-UHFFFAOYSA-N 0 0 443.594 5.090 50 0 IKAARN Cc1ccc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000001517317 568840409 /nfs/dbraw/zinc/84/04/09/568840409.db2.gz XGMHCGQFKJIOHX-UHFFFAOYSA-N 0 0 434.923 5.545 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(C)cc1C ZINC000015824597 568840492 /nfs/dbraw/zinc/84/04/92/568840492.db2.gz PGDBSRZSXODEMF-UHFFFAOYSA-N 0 0 442.968 5.670 50 0 IKAARN COc1cnc(CSc2ccc(F)cc2)cc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000015824721 568840501 /nfs/dbraw/zinc/84/05/01/568840501.db2.gz YNEXESJBNVAUEP-UHFFFAOYSA-N 0 0 432.904 5.193 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1cccc(C)c1C ZINC000015824590 568840573 /nfs/dbraw/zinc/84/05/73/568840573.db2.gz QZWRUHWHKOFELB-UHFFFAOYSA-N 0 0 442.968 5.670 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(-n5cnnc5)n4)cc3)nc2c1 ZINC000015826214 568840800 /nfs/dbraw/zinc/84/08/00/568840800.db2.gz IEODXBPMUYKTBB-MRXNPFEDSA-N 0 0 438.491 5.236 50 0 IKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2Sc2ccccc2)cc1 ZINC000015828744 568841192 /nfs/dbraw/zinc/84/11/92/568841192.db2.gz WKUCOAQAXNUOFR-UHFFFAOYSA-N 0 0 437.542 5.236 50 0 IKAARN CCOC(=O)c1cc(OCC(=O)Nc2ccc(C(C)C)cc2)c2cc(Cl)ccc2n1 ZINC000015829026 568841311 /nfs/dbraw/zinc/84/13/11/568841311.db2.gz KGILNSYVWILJQE-UHFFFAOYSA-N 0 0 426.900 5.206 50 0 IKAARN Cc1csc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccc(Br)c2)n1 ZINC000015830417 568841392 /nfs/dbraw/zinc/84/13/92/568841392.db2.gz XXBOWELPQNWALS-GOSISDBHSA-N 0 0 432.774 6.223 50 0 IKAARN O=C1N(c2ccccc2)[C@@H](c2ccccc2)N2C(=O)N(c3ccccc3)[C@@H](c3ccccc3)N12 ZINC000000641959 568841589 /nfs/dbraw/zinc/84/15/89/568841589.db2.gz CDDNERAIBZNHJN-CLJLJLNGSA-N 0 0 446.510 6.183 50 0 IKAARN COc1cc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(C)cs2)cc(OC)c1OC ZINC000015830548 568841599 /nfs/dbraw/zinc/84/15/99/568841599.db2.gz FPSDPNPAAIJVTP-GOSISDBHSA-N 0 0 443.956 5.486 50 0 IKAARN CNC(=O)c1ccccc1[C@@H](c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000000641283 568841603 /nfs/dbraw/zinc/84/16/03/568841603.db2.gz AQUFUTNOSNFEKQ-IZLXSDGUSA-N 0 0 437.539 5.491 50 0 IKAARN CNC(=O)c1ccccc1[C@@H](c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000000641280 568841669 /nfs/dbraw/zinc/84/16/69/568841669.db2.gz AQUFUTNOSNFEKQ-VSGBNLITSA-N 0 0 437.539 5.491 50 0 IKAARN COc1ccc(OC)c(NC(=O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)c1 ZINC000004541996 568841754 /nfs/dbraw/zinc/84/17/54/568841754.db2.gz UHNNBDBCVPBXOS-UHFFFAOYSA-N 0 0 425.095 5.335 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(C)cc2)c(OC)c1 ZINC000004541713 568841835 /nfs/dbraw/zinc/84/18/35/568841835.db2.gz GRKJVMCCGGDXGC-UHFFFAOYSA-N 0 0 446.550 7.199 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)NC3CCCCC3)cc2)cc1)NC1CCCCC1 ZINC000005758403 568841964 /nfs/dbraw/zinc/84/19/64/568841964.db2.gz SGXPOLBQSKXTKY-UHFFFAOYSA-N 0 0 448.611 6.186 50 0 IKAARN Cc1ccc(C(C)C)cc1NC(=O)c1ccc(C(=O)Nc2cc(C(C)C)ccc2C)cc1 ZINC000002165954 568842208 /nfs/dbraw/zinc/84/22/08/568842208.db2.gz HXAXUFFBJHAGLE-UHFFFAOYSA-N 0 0 428.576 7.055 50 0 IKAARN c1ccc(N2[C@@H]3c4ccccc4CCN3N(c3ccccc3)[C@H]3c4ccccc4CCN32)cc1 ZINC000002167216 568842251 /nfs/dbraw/zinc/84/22/51/568842251.db2.gz APMRCQAMZADPEL-RNPORBBMSA-N 0 0 444.582 5.957 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000033926514 568842375 /nfs/dbraw/zinc/84/23/75/568842375.db2.gz CLYQQYXUKPFUSX-UPVQGACJSA-N 0 0 449.348 6.008 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000036372907 568842380 /nfs/dbraw/zinc/84/23/80/568842380.db2.gz NHYYOSCGYDQLFO-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN CCn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000025693157 568842569 /nfs/dbraw/zinc/84/25/69/568842569.db2.gz KMCBWMCQDXPDMI-UHFFFAOYSA-N 0 0 447.057 5.024 50 0 IKAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028064612 568842713 /nfs/dbraw/zinc/84/27/13/568842713.db2.gz YBUJFCSSQSKNMT-OAQYLSRUSA-N 0 0 436.005 7.189 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000028064963 568842773 /nfs/dbraw/zinc/84/27/73/568842773.db2.gz QIQFAXWYJKSKHG-QFIPXVFZSA-N 0 0 431.586 6.544 50 0 IKAARN C(=C(\c1ccccc1)c1cccc(/C(=C/c2ccccc2)c2ccccc2)c1)\c1ccccc1 ZINC000071782902 568843331 /nfs/dbraw/zinc/84/33/31/568843331.db2.gz AZNLZXJCYWEKOV-WASGUHIUSA-N 0 0 434.582 8.864 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1ccncc1)O2 ZINC000100727128 568843368 /nfs/dbraw/zinc/84/33/68/568843368.db2.gz GDURNPXMLFLNTC-ZCYQVOJMSA-N 0 0 446.337 6.784 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000015838154 568844293 /nfs/dbraw/zinc/84/42/93/568844293.db2.gz MMQCOHIKXZMKMV-UHFFFAOYSA-N 0 0 445.906 5.734 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000015839707 568844467 /nfs/dbraw/zinc/84/44/67/568844467.db2.gz LFOLPLFWLWNEBW-AWEZNQCLSA-N 0 0 445.350 5.384 50 0 IKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000015227308 568844857 /nfs/dbraw/zinc/84/48/57/568844857.db2.gz UZPDVSAKHDABOA-SQHAQQRYSA-N 0 0 438.914 6.246 50 0 IKAARN CC(C)(C)c1ccc(C(=O)O[C@H](c2ccc3c(c2)OCO3)c2nccc3ccccc32)cc1 ZINC000006144151 568845980 /nfs/dbraw/zinc/84/59/80/568845980.db2.gz MAIXTLCTHSSOGL-AREMUKBSSA-N 0 0 439.511 6.207 50 0 IKAARN COc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1OC ZINC000006144166 568846011 /nfs/dbraw/zinc/84/60/11/568846011.db2.gz ODHRQQFJCZPNCQ-UHFFFAOYSA-N 0 0 426.303 6.364 50 0 IKAARN COc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccc(Cl)cc2)cc1 ZINC000015858715 568846603 /nfs/dbraw/zinc/84/66/03/568846603.db2.gz PRWAAYHQVAWQPX-UHFFFAOYSA-N 0 0 429.907 5.449 50 0 IKAARN COc1ccc(C[C@@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@H]23)CCCC5)cc1 ZINC000006148321 568846757 /nfs/dbraw/zinc/84/67/57/568846757.db2.gz XCUAPPLVYNFZIA-QPPBQGQZSA-N 0 0 430.573 5.052 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 ZINC000015859497 568847500 /nfs/dbraw/zinc/84/75/00/568847500.db2.gz BSWZKSCGDBFABO-XMMPIXPASA-N 0 0 446.934 5.760 50 0 IKAARN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000015859455 568847527 /nfs/dbraw/zinc/84/75/27/568847527.db2.gz CEZPHKSBCYKMHJ-RUZDIDTESA-N 0 0 442.515 5.115 50 0 IKAARN COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCOCC1 ZINC000015859472 568847617 /nfs/dbraw/zinc/84/76/17/568847617.db2.gz BTRIUIKXSCDTDY-VWLOTQADSA-N 0 0 442.515 5.115 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000015859566 568847750 /nfs/dbraw/zinc/84/77/50/568847750.db2.gz IQEZXLLTRWRYMB-RUZDIDTESA-N 0 0 426.516 5.415 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](Nc1cccc(C)n1)c1ccccn1 ZINC000015859760 568847772 /nfs/dbraw/zinc/84/77/72/568847772.db2.gz PLDTXWLOGRIVKL-RUZDIDTESA-N 0 0 437.503 5.622 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1F)N1CCOCC1)c1ccccc1 ZINC000015859521 568847894 /nfs/dbraw/zinc/84/78/94/568847894.db2.gz FYNWIQBPUHCTHD-XMMPIXPASA-N 0 0 430.479 5.246 50 0 IKAARN Cc1ccc(NC(=O)c2cnn3c2N=C(c2ccc(C)cc2)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000015860974 568847978 /nfs/dbraw/zinc/84/79/78/568847978.db2.gz KLBNWTWKGVIDKI-RUZDIDTESA-N 0 0 438.506 5.947 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc32)cc1 ZINC000015861511 568848491 /nfs/dbraw/zinc/84/84/91/568848491.db2.gz FFEOAGIYBUEGAW-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1C ZINC000006161558 568848856 /nfs/dbraw/zinc/84/88/56/568848856.db2.gz XRQSQFGHNFQJBQ-UHFFFAOYSA-N 0 0 430.371 5.164 50 0 IKAARN CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000006161568 568848889 /nfs/dbraw/zinc/84/88/89/568848889.db2.gz ALDCSPGSTMNISM-UHFFFAOYSA-N 0 0 430.371 5.109 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)c2ccc(OCC)cc2)C2CCCCC2)c1C ZINC000015862491 568848898 /nfs/dbraw/zinc/84/88/98/568848898.db2.gz MAKHOWNVXLSWMJ-UHFFFAOYSA-N 0 0 426.557 5.182 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1OCC ZINC000015863702 568849457 /nfs/dbraw/zinc/84/94/57/568849457.db2.gz DIIBVOOTRWMWEB-UHFFFAOYSA-N 0 0 443.547 5.408 50 0 IKAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccccc4Cl)ccc3[nH]2)cc1 ZINC000015863781 568849559 /nfs/dbraw/zinc/84/95/59/568849559.db2.gz PRUJJXASMKMTIM-UHFFFAOYSA-N 0 0 446.938 5.086 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCCCCC4)c3)C2)cc1 ZINC000015864329 568849752 /nfs/dbraw/zinc/84/97/52/568849752.db2.gz YAAYECFIBPNIKR-XMMPIXPASA-N 0 0 433.596 5.677 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015864437 568849904 /nfs/dbraw/zinc/84/99/04/568849904.db2.gz BELWJPZVVCPFOZ-UHFFFAOYSA-N 0 0 427.382 6.166 50 0 IKAARN COC(=O)c1ccc(C)cc1NC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1OC ZINC000015864444 568849908 /nfs/dbraw/zinc/84/99/08/568849908.db2.gz ZMADPMIXHGPJBN-UHFFFAOYSA-N 0 0 431.448 5.242 50 0 biogenic IKAARN COc1cc(NC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2OC)cc(OC)c1 ZINC000015864450 568849930 /nfs/dbraw/zinc/84/99/30/568849930.db2.gz IGJSOEADBOGRMR-UHFFFAOYSA-N 0 0 433.464 5.473 50 0 IKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4nc5ccccc5s4)n3)o2)cc1 ZINC000015865251 568850096 /nfs/dbraw/zinc/85/00/96/568850096.db2.gz YPRLUCFBSIIKNI-UHFFFAOYSA-N 0 0 436.500 6.009 50 0 IKAARN CCn1c(COc2cc(C)ccc2C)nnc1SCc1cc(=O)c2ccc(C)c(C)c2[nH]1 ZINC000015865325 568850121 /nfs/dbraw/zinc/85/01/21/568850121.db2.gz SFZXAYQIJLTTDE-UHFFFAOYSA-N 0 0 448.592 5.244 50 0 IKAARN CCc1c(C)sc2c1CCN(Cc1ccc(Br)cc1F)[C@H]2c1ccccc1 ZINC000015864904 568850304 /nfs/dbraw/zinc/85/03/04/568850304.db2.gz MZZCZZOZDYMMRV-QFIPXVFZSA-N 0 0 444.413 6.668 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000015864826 568850350 /nfs/dbraw/zinc/85/03/50/568850350.db2.gz BVXUHMRTSUPLRM-XMMPIXPASA-N 0 0 446.641 6.800 50 0 IKAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cc(Cl)ccc3C)nc2c1 ZINC000015865452 568850501 /nfs/dbraw/zinc/85/05/01/568850501.db2.gz NYWVRPMALHGIJD-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000006173642 568850866 /nfs/dbraw/zinc/85/08/66/568850866.db2.gz WQSCVSRCMGOWHC-UHFFFAOYSA-N 0 0 446.528 6.134 50 0 IKAARN Fc1ccc(Oc2nc(-c3ccccc3)nc3c4ccccc4oc32)c(Br)c1 ZINC000015866588 568850946 /nfs/dbraw/zinc/85/09/46/568850946.db2.gz AKKUHAHFJWUXHX-UHFFFAOYSA-N 0 0 435.252 6.737 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000015868203 568851016 /nfs/dbraw/zinc/85/10/16/568851016.db2.gz WEPQVCSLJLFRJH-LLVKDONJSA-N 0 0 429.332 5.571 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000015868202 568851084 /nfs/dbraw/zinc/85/10/84/568851084.db2.gz IKZACKHTWNWEOB-CQSZACIVSA-N 0 0 428.439 5.283 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000015868301 568851241 /nfs/dbraw/zinc/85/12/41/568851241.db2.gz ZYTXBGHTPHJWRK-LBPRGKRZSA-N 0 0 429.332 5.571 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000015868350 568851301 /nfs/dbraw/zinc/85/13/01/568851301.db2.gz JZFHEJQOJYOLSM-ZDUSSCGKSA-N 0 0 443.359 5.880 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000015868303 568851310 /nfs/dbraw/zinc/85/13/10/568851310.db2.gz KBFXXFXJTGPWIS-LBPRGKRZSA-N 0 0 429.332 5.571 50 0 IKAARN O=C(CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)N1CCCCCC1 ZINC000015869749 568851518 /nfs/dbraw/zinc/85/15/18/568851518.db2.gz WIDSGTBBFRJXRN-UHFFFAOYSA-N 0 0 445.563 5.140 50 0 IKAARN O=C(Nc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2s1)C1CCCCC1 ZINC000015870225 568851680 /nfs/dbraw/zinc/85/16/80/568851680.db2.gz DALJTJQGQOLAJK-UHFFFAOYSA-N 0 0 449.985 5.269 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000015870568 568851948 /nfs/dbraw/zinc/85/19/48/568851948.db2.gz NXRIBZVLQJVHAF-UHFFFAOYSA-N 0 0 439.968 5.121 50 0 IKAARN CCn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000015870608 568852018 /nfs/dbraw/zinc/85/20/18/568852018.db2.gz SJABVHIXCYFNAY-UHFFFAOYSA-N 0 0 439.968 5.296 50 0 IKAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)nc2ccccc21 ZINC000015870596 568852028 /nfs/dbraw/zinc/85/20/28/568852028.db2.gz LIZPXQOLLWNVIU-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000015870660 568852173 /nfs/dbraw/zinc/85/21/73/568852173.db2.gz VLHXUUQVBLDUJH-UHFFFAOYSA-N 0 0 447.604 5.358 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)nc2ccccc21 ZINC000015870758 568852178 /nfs/dbraw/zinc/85/21/78/568852178.db2.gz GFSVWCIZJVIPNA-UHFFFAOYSA-N 0 0 447.604 5.649 50 0 IKAARN Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nc2c1 ZINC000015870689 568852197 /nfs/dbraw/zinc/85/21/97/568852197.db2.gz RNALTYIEJBEJOP-UHFFFAOYSA-N 0 0 425.941 5.111 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc2ccccc21 ZINC000015870732 568852229 /nfs/dbraw/zinc/85/22/29/568852229.db2.gz KULRTCCOYRIICO-UHFFFAOYSA-N 0 0 449.576 5.041 50 0 IKAARN Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)nc2c1 ZINC000015870708 568852269 /nfs/dbraw/zinc/85/22/69/568852269.db2.gz BHLBYJAMWPRPBK-UHFFFAOYSA-N 0 0 425.941 5.111 50 0 IKAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000026125526 568852456 /nfs/dbraw/zinc/85/24/56/568852456.db2.gz MWUBQYUZJQKKAX-DEOSSOPVSA-N 0 0 430.573 5.071 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880223 568854219 /nfs/dbraw/zinc/85/42/19/568854219.db2.gz KNLVMHZIUQHORO-UHFFFAOYSA-N 0 0 435.593 5.523 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4-c4ccccc4)cc3)c2O1 ZINC000015881155 568854927 /nfs/dbraw/zinc/85/49/27/568854927.db2.gz AUIMAAYWTHCFIR-UHFFFAOYSA-N 0 0 449.550 6.898 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)c2O1 ZINC000015881173 568855081 /nfs/dbraw/zinc/85/50/81/568855081.db2.gz RHEPXWBOLROANG-UHFFFAOYSA-N 0 0 431.488 5.003 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c2O1 ZINC000015881159 568855174 /nfs/dbraw/zinc/85/51/74/568855174.db2.gz ZCJBGDJUDDULHM-UHFFFAOYSA-N 0 0 442.342 6.538 50 0 IKAARN COc1cc(OC)cc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3Cl)s2)c1 ZINC000015881800 568856157 /nfs/dbraw/zinc/85/61/57/568856157.db2.gz DVBAOPMPIJIXJK-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000015882478 568856772 /nfs/dbraw/zinc/85/67/72/568856772.db2.gz OLKJOTGBSJEJBL-UHFFFAOYSA-N 0 0 437.421 5.274 50 0 IKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000015882490 568857053 /nfs/dbraw/zinc/85/70/53/568857053.db2.gz BTBDQOMRMJCXFQ-UHFFFAOYSA-N 0 0 437.421 5.274 50 0 IKAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000015883056 568857407 /nfs/dbraw/zinc/85/74/07/568857407.db2.gz OVTHSSSHFSFKNP-UHFFFAOYSA-N 0 0 442.771 5.099 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000015883260 568857457 /nfs/dbraw/zinc/85/74/57/568857457.db2.gz KTTBAGACPRMROQ-UHFFFAOYSA-N 0 0 428.454 5.510 50 0 IKAARN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015883908 568858126 /nfs/dbraw/zinc/85/81/26/568858126.db2.gz OWGVUWZMJVHHDD-UHFFFAOYSA-N 0 0 442.968 5.058 50 0 IKAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000015883836 568858130 /nfs/dbraw/zinc/85/81/30/568858130.db2.gz KKTHBTRVVZARIH-UHFFFAOYSA-N 0 0 436.558 5.398 50 0 IKAARN CCOc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccc(C)cc1 ZINC000015906394 568858461 /nfs/dbraw/zinc/85/84/61/568858461.db2.gz JEJPHNKTVHWKPN-QHCPKHFHSA-N 0 0 426.438 6.060 50 0 IKAARN Cc1ccccc1C(=O)N(CCN1C(=O)c2ccccc2C1=O)c1ccc(C(C)(C)C)cc1 ZINC000015906678 568858465 /nfs/dbraw/zinc/85/84/65/568858465.db2.gz MJEOZIZMWFSAJC-UHFFFAOYSA-N 0 0 440.543 5.236 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000015913229 568858747 /nfs/dbraw/zinc/85/87/47/568858747.db2.gz DDGHYMFHUFOBKA-MRXNPFEDSA-N 0 0 444.240 5.279 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000002083305 568859454 /nfs/dbraw/zinc/85/94/54/568859454.db2.gz XUGISPSHIFXEHZ-SZAJEQEISA-N 0 0 428.701 7.960 50 0 IKAARN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1OCC ZINC000015978329 568861668 /nfs/dbraw/zinc/86/16/68/568861668.db2.gz GIJRLSJYZFONSO-KQWNVCNZSA-N 0 0 443.499 5.408 50 0 IKAARN CCOC(=O)c1c(NC(=O)COC(=O)C2CCCCC2)sc(C)c1-c1ccc(C)cc1 ZINC000015979745 568861922 /nfs/dbraw/zinc/86/19/22/568861922.db2.gz JNLKHDCDUNQATN-UHFFFAOYSA-N 0 0 443.565 5.271 50 0 IKAARN CCn1c2cc(I)ccc2c2cccc(I)c21 ZINC000025693237 568862054 /nfs/dbraw/zinc/86/20/54/568862054.db2.gz XBIJIIRRUZJZTM-UHFFFAOYSA-N 0 0 447.057 5.024 50 0 IKAARN C[C@@H](C(=O)c1ccccc1)c1cc(Br)ccc1-c1ccc(Br)cc1 ZINC000025693521 568862100 /nfs/dbraw/zinc/86/21/00/568862100.db2.gz YSKUGOPZABFFAG-CQSZACIVSA-N 0 0 444.166 6.865 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000016001400 568862269 /nfs/dbraw/zinc/86/22/69/568862269.db2.gz DJCBDKHEPJRRFL-UHFFFAOYSA-N 0 0 438.531 5.274 50 0 IKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000016015093 568862764 /nfs/dbraw/zinc/86/27/64/568862764.db2.gz XHYJUEUQAGNEHO-UHFFFAOYSA-N 0 0 441.767 5.955 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4C)cc3C2=O)cc1 ZINC000012935749 568864925 /nfs/dbraw/zinc/86/49/25/568864925.db2.gz BLPCWOJKRLRTAV-UHFFFAOYSA-N 0 0 434.879 5.100 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cc3ccccc3cc2O)c2ccccc2)c1 ZINC000016035372 568867778 /nfs/dbraw/zinc/86/77/78/568867778.db2.gz DXAZWVCJZUAHOK-RUZDIDTESA-N 0 0 439.467 5.285 50 0 IKAARN CCOc1ccc(C2=N/C(=C\c3cccc(Oc4ccccc4)c3)C(=O)O2)cc1OCC ZINC000016035433 568867798 /nfs/dbraw/zinc/86/77/98/568867798.db2.gz DEMQHAUGBSSMGV-JWGURIENSA-N 0 0 429.472 5.621 50 0 IKAARN Cn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000006181437 568868432 /nfs/dbraw/zinc/86/84/32/568868432.db2.gz FWUBETZBAPULGU-UHFFFAOYSA-N 0 0 444.600 6.026 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccccc1COc1ccccc1 ZINC000012940064 568868502 /nfs/dbraw/zinc/86/85/02/568868502.db2.gz DWSVVHMEDDQILZ-UHFFFAOYSA-N 0 0 436.939 5.328 50 0 IKAARN CCCCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016044042 568868563 /nfs/dbraw/zinc/86/85/63/568868563.db2.gz RIYZGVZKORHVKM-HUUCEWRRSA-N 0 0 438.351 5.595 50 0 IKAARN CCC[C@H](NCc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)c1ccccc1 ZINC000016046676 568868864 /nfs/dbraw/zinc/86/88/64/568868864.db2.gz NTIMZCLFZCADID-DEOSSOPVSA-N 0 0 427.548 5.415 50 0 IKAARN CCCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 ZINC000016047518 568868983 /nfs/dbraw/zinc/86/89/83/568868983.db2.gz COJWNCCFQODLGO-UHFFFAOYSA-N 0 0 438.553 5.320 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575443507 568869502 /nfs/dbraw/zinc/86/95/02/568869502.db2.gz SIQDVCBKLZJIEX-UHFFFAOYSA-N 0 0 435.487 6.022 50 0 IKAARN O=C(C1CCCCC1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl ZINC000575443543 568869608 /nfs/dbraw/zinc/86/96/08/568869608.db2.gz UPQMECKGHSCBTF-UHFFFAOYSA-N 0 0 429.351 6.898 50 0 IKAARN CC(C)(C)NC(=O)C1(N(CCc2c[nH]c3ccccc23)C(=O)c2ccccc2)CCCC1 ZINC000575443882 568869637 /nfs/dbraw/zinc/86/96/37/568869637.db2.gz RDYINMTZKWXDBA-UHFFFAOYSA-N 0 0 431.580 5.080 50 0 IKAARN Cc1nc(COc2ccc(C(=O)Nc3nc4c(ccc5ccccc45)s3)cc2)cs1 ZINC000012940567 568869835 /nfs/dbraw/zinc/86/98/35/568869835.db2.gz NXYQAQCQEFTWKA-UHFFFAOYSA-N 0 0 431.542 6.046 50 0 IKAARN Cc1c(CCc2ccccn2)n2ccccc2c1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000006182644 568869995 /nfs/dbraw/zinc/86/99/95/568869995.db2.gz HXJQMUNAXFNCBD-UHFFFAOYSA-N 0 0 432.523 6.451 50 0 IKAARN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000012944885 568870570 /nfs/dbraw/zinc/87/05/70/568870570.db2.gz FNDHWZVQRXEWMF-INIZCTEOSA-N 0 0 439.462 5.028 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1ccc(F)cc1F ZINC000012947702 568871528 /nfs/dbraw/zinc/87/15/28/568871528.db2.gz HUPOKFCCFHBTNM-UHFFFAOYSA-N 0 0 447.536 5.202 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000006187215 568872025 /nfs/dbraw/zinc/87/20/25/568872025.db2.gz WEHFOAMNYVRSBD-UHFFFAOYSA-N 0 0 425.699 5.530 50 0 IKAARN Cc1cccc(I)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000584906717 568872580 /nfs/dbraw/zinc/87/25/80/568872580.db2.gz MVPHLUZWIVHLFX-UHFFFAOYSA-N 0 0 433.286 5.276 50 0 IKAARN CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2s1 ZINC000584906166 568872584 /nfs/dbraw/zinc/87/25/84/568872584.db2.gz BEUFYPKEKHTSGD-OAHLLOKOSA-N 0 0 438.618 6.218 50 0 IKAARN O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cc(Br)ccc1Cl ZINC000585148051 568872637 /nfs/dbraw/zinc/87/26/37/568872637.db2.gz MXYUGGWMDLAUSZ-ZDUSSCGKSA-N 0 0 442.787 5.356 50 0 IKAARN CCc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)sc1-c1ccccc1 ZINC000585152293 568872947 /nfs/dbraw/zinc/87/29/47/568872947.db2.gz LMKGGNYUIAFFIO-UHFFFAOYSA-N 0 0 440.593 7.507 50 0 IKAARN CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3F)cc2)CC1 ZINC000585138890 568872984 /nfs/dbraw/zinc/87/29/84/568872984.db2.gz ZNSSVBKDGHSLQE-AFMUELSESA-N 0 0 448.710 10.421 50 0 IKAARN Cc1cc2c(cc1-c1ccnc(N3CCN(c4ccccc4)CC3)n1)[C@H](C)CC(C)(C)N2 ZINC000575473160 568873281 /nfs/dbraw/zinc/87/32/81/568873281.db2.gz JVVSNRJUJCMGKG-HXUWFJFHSA-N 0 0 427.596 5.476 50 0 IKAARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 ZINC000026464888 568877820 /nfs/dbraw/zinc/87/78/20/568877820.db2.gz HMQFUOHQHCPPGN-YBEGLDIGSA-N 0 0 449.937 5.296 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1cc(Br)ccc1I ZINC000002617697 568878231 /nfs/dbraw/zinc/87/82/31/568878231.db2.gz RTDMQUPUPOQIHY-UHFFFAOYSA-N 0 0 444.110 5.429 50 0 IKAARN CCCCCCc1cc(OC)cc(O)c1-c1n[nH]cc1-c1ccc(Br)cc1 ZINC000009244263 568879614 /nfs/dbraw/zinc/87/96/14/568879614.db2.gz NWEQPCLNJZLXAW-UHFFFAOYSA-N 0 0 429.358 6.343 50 0 IKAARN CC(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000000633048 568880090 /nfs/dbraw/zinc/88/00/90/568880090.db2.gz RTKCWUIPMWSULP-IZZNHLLZSA-N 0 0 443.543 6.115 50 0 IKAARN CC(C)[C@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000000633052 568880147 /nfs/dbraw/zinc/88/01/47/568880147.db2.gz RTKCWUIPMWSULP-UIOOFZCWSA-N 0 0 443.543 6.115 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@H](c4ccccc4)[C@H]2C3(Cl)Cl)cc1OC ZINC000000727447 568880148 /nfs/dbraw/zinc/88/01/48/568880148.db2.gz OJWHSJIOGRNFJA-ZRBLBEILSA-N 0 0 427.327 5.927 50 0 IKAARN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000064027204 568882138 /nfs/dbraw/zinc/88/21/38/568882138.db2.gz ATNXIGIOZWYHKD-UHFFFAOYSA-N 0 0 444.343 5.512 50 0 IKAARN O=C(c1ccc(Br)cc1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000035478188 568882621 /nfs/dbraw/zinc/88/26/21/568882621.db2.gz GOTFVUCLSAEMAL-UHFFFAOYSA-N 0 0 446.732 5.172 50 0 IKAARN O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478431 568882729 /nfs/dbraw/zinc/88/27/29/568882729.db2.gz HPOSSUKFTCDABR-ZDUSSCGKSA-N 0 0 434.849 5.157 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000009464407 568883560 /nfs/dbraw/zinc/88/35/60/568883560.db2.gz LZNTVNIDCCMADV-SNVBAGLBSA-N 0 0 438.862 5.555 50 0 IKAARN CCc1cccc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc21 ZINC000009524453 568883565 /nfs/dbraw/zinc/88/35/65/568883565.db2.gz AUPUXIDDMFQQNM-UHFFFAOYSA-N 0 0 429.570 6.315 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc2ccccc21 ZINC000009729989 568884311 /nfs/dbraw/zinc/88/43/11/568884311.db2.gz MJSZZEXLCGULHB-SFHVURJKSA-N 0 0 442.588 5.327 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)[C@H]1C ZINC000224762877 568885206 /nfs/dbraw/zinc/88/52/06/568885206.db2.gz BZRSUEVHRVRBST-XFQAVAEZSA-N 0 0 439.483 5.044 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000090593341 568888978 /nfs/dbraw/zinc/88/89/78/568888978.db2.gz UOGSTJLVMDMEKI-UHFFFAOYSA-N 0 0 446.903 5.269 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cc1ccc(Br)cc1 ZINC000090593109 568888998 /nfs/dbraw/zinc/88/89/98/568888998.db2.gz XERTZTQSNRPHLJ-UHFFFAOYSA-N 0 0 435.774 5.393 50 0 IKAARN CCSc1ccccc1C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000090593777 568889189 /nfs/dbraw/zinc/88/91/89/568889189.db2.gz ZPLCMSYPBVBPGE-UHFFFAOYSA-N 0 0 425.554 5.552 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)cc3)sc2c1 ZINC000001738589 568889316 /nfs/dbraw/zinc/88/93/16/568889316.db2.gz NWZMGEZTKBAHFJ-UHFFFAOYSA-N 0 0 448.547 6.755 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)sc2c1 ZINC000001738383 568889338 /nfs/dbraw/zinc/88/93/38/568889338.db2.gz QDOSJMDYHXKNRE-UHFFFAOYSA-N 0 0 436.964 6.559 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3)sc2c1 ZINC000001738366 568889350 /nfs/dbraw/zinc/88/93/50/568889350.db2.gz KIMFPIOKKVILOR-UHFFFAOYSA-N 0 0 430.573 6.721 50 0 IKAARN COc1cccc(NC(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)c1OC ZINC000090607090 568889709 /nfs/dbraw/zinc/88/97/09/568889709.db2.gz GAGKEQGURGMXLV-UHFFFAOYSA-N 0 0 426.542 5.066 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 ZINC000090607144 568889739 /nfs/dbraw/zinc/88/97/39/568889739.db2.gz IDAMOKURYMZCHP-UHFFFAOYSA-N 0 0 445.350 5.062 50 0 IKAARN Cc1ccc(NC=C2C(=O)N(c3ccc(Br)cn3)C(=O)c3ccccc32)cc1C ZINC000102919251 568890491 /nfs/dbraw/zinc/89/04/91/568890491.db2.gz GZJFANNTNLCWEA-DEDYPNTBSA-N 0 0 448.320 5.101 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2=Cc1cccs1)c1ccccc1 ZINC000103083322 568891846 /nfs/dbraw/zinc/89/18/46/568891846.db2.gz RHQWLVDODADEQQ-MNDPQUGUSA-N 0 0 439.536 6.213 50 0 IKAARN C[C@@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1cccs1)CC2 ZINC000103083286 568891858 /nfs/dbraw/zinc/89/18/58/568891858.db2.gz NQXCIMKMLRBXAC-KCGBVJQISA-N 0 0 446.572 5.341 50 0 IKAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)NC(c1ccccc1)c1ccccc1 ZINC000090610614 568892260 /nfs/dbraw/zinc/89/22/60/568892260.db2.gz YGLWWPBSOVWGII-UHFFFAOYSA-N 0 0 432.570 5.629 50 0 IKAARN Cc1ccc(F)c(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1N ZINC000064191865 568893506 /nfs/dbraw/zinc/89/35/06/568893506.db2.gz CRMCKMOKEFFJNZ-UHFFFAOYSA-N 0 0 440.085 5.125 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012980765 568893642 /nfs/dbraw/zinc/89/36/42/568893642.db2.gz OZNAXPSWDFVRPC-SJKOYZFVSA-N 0 0 442.928 5.052 50 0 IKAARN CCCSc1nsc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)n1 ZINC000017857529 568894466 /nfs/dbraw/zinc/89/44/66/568894466.db2.gz IRRDMXUFVMKYER-WDXRGRCHSA-N 0 0 427.639 5.825 50 0 IKAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012982870 568894924 /nfs/dbraw/zinc/89/49/24/568894924.db2.gz NEFHIVIBONQIKW-UHFFFAOYSA-N 0 0 438.871 5.016 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CSCc2ccc(C(N)=O)cc2)cc1 ZINC000012987868 568895298 /nfs/dbraw/zinc/89/52/98/568895298.db2.gz XQFQIQVNNPEQJV-UHFFFAOYSA-N 0 0 429.545 5.080 50 0 IKAARN O=C1Nc2ccc(Cl)cc2/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000033404619 568896023 /nfs/dbraw/zinc/89/60/23/568896023.db2.gz MUXWYLWXDAYHFD-CIAFOILYSA-N 0 0 432.310 6.339 50 0 IKAARN COc1ccccc1[C@H]1CC(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)=NN1C(C)=O ZINC000032815386 568896048 /nfs/dbraw/zinc/89/60/48/568896048.db2.gz HPNAHHDNYJLMNP-AREMUKBSSA-N 0 0 449.554 6.225 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000012991476 568896394 /nfs/dbraw/zinc/89/63/94/568896394.db2.gz CLUTULRLKJVCCZ-ZDUSSCGKSA-N 0 0 435.380 5.490 50 0 IKAARN COc1ccc(Br)cc1/C=C/C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000040134786 568896528 /nfs/dbraw/zinc/89/65/28/568896528.db2.gz HKCWYMDSWOLBSA-UDFXALJUSA-N 0 0 437.337 5.114 50 0 IKAARN Cc1sc2nc(CN3CCCCC3)nc(Sc3nnc(C4CC4)n3C3CC3)c2c1C ZINC000012996895 568897061 /nfs/dbraw/zinc/89/70/61/568897061.db2.gz DVTBJFOGKJELAD-UHFFFAOYSA-N 0 0 440.642 5.249 50 0 IKAARN CC(=O)Nc1sc(NC(=O)COc2ccc(Cl)c(C)c2)nc1-c1ccc(C)cc1 ZINC000035671503 568897170 /nfs/dbraw/zinc/89/71/70/568897170.db2.gz BTUVDPUYLBAYHT-UHFFFAOYSA-N 0 0 429.929 5.056 50 0 IKAARN COc1ccc(CC(=O)Nc2sc(C)c(C)c2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000035671309 568897204 /nfs/dbraw/zinc/89/72/04/568897204.db2.gz YMZLLLRNACKHMO-UHFFFAOYSA-N 0 0 433.533 5.580 50 0 IKAARN CC(=O)Nc1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)nc1-c1ccc(C)cc1 ZINC000035671508 568897289 /nfs/dbraw/zinc/89/72/89/568897289.db2.gz XORNPZCLMIDUNG-UHFFFAOYSA-N 0 0 443.956 5.365 50 0 IKAARN CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 ZINC000013000610 568898767 /nfs/dbraw/zinc/89/87/67/568898767.db2.gz SUEQXHPAJPYJSS-CYBMUJFWSA-N 0 0 426.929 5.399 50 0 IKAARN CCc1ccc([C@H](NC(=O)Cc2csc(-c3ccccn3)n2)c2cccc(F)c2)cc1 ZINC000013004797 568898915 /nfs/dbraw/zinc/89/89/15/568898915.db2.gz JWVSXSSIARSGFK-DEOSSOPVSA-N 0 0 431.536 5.355 50 0 IKAARN C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(Cl)cc1Cl ZINC000013004540 568898973 /nfs/dbraw/zinc/89/89/73/568898973.db2.gz GMOPPPRAZWYHGL-SNVBAGLBSA-N 0 0 440.377 5.184 50 0 IKAARN CC(=O)c1ccc(N(Cc2coc(-c3ccccc3)n2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013005808 568899276 /nfs/dbraw/zinc/89/92/76/568899276.db2.gz LFHJNXPNJZRCBL-UHFFFAOYSA-N 0 0 446.528 5.248 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2C(C)C)c1 ZINC000013008626 568899537 /nfs/dbraw/zinc/89/95/37/568899537.db2.gz CMNSKVANKXLYST-OAQYLSRUSA-N 0 0 444.575 5.937 50 0 IKAARN COc1ccc(CCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)cc1 ZINC000013010158 568899839 /nfs/dbraw/zinc/89/98/39/568899839.db2.gz DQYGAXWFRKIANJ-UHFFFAOYSA-N 0 0 439.943 5.303 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1OCc1ccccc1Cl ZINC000013010984 568900067 /nfs/dbraw/zinc/90/00/67/568900067.db2.gz AIFYDRARMKWWEC-UHFFFAOYSA-N 0 0 436.939 5.247 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3ccccc3SCc3cscn3)sc2c1 ZINC000013010844 568900214 /nfs/dbraw/zinc/90/02/14/568900214.db2.gz IRRXUCUUZLDFOS-UHFFFAOYSA-N 0 0 427.576 5.696 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(F)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102957549 568900427 /nfs/dbraw/zinc/90/04/27/568900427.db2.gz QWKKUJPFOMDKAR-DEDYPNTBSA-N 0 0 426.369 5.485 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 ZINC000103005057 568900498 /nfs/dbraw/zinc/90/04/98/568900498.db2.gz FZCXLEYCJGXKIJ-CPNJWEJPSA-N 0 0 437.326 6.250 50 0 IKAARN COc1ccc(NC=C2C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1Cl ZINC000103004408 568900506 /nfs/dbraw/zinc/90/05/06/568900506.db2.gz CLTDGIANFKFSSN-XSFVSMFZSA-N 0 0 432.907 5.605 50 0 IKAARN COc1ccc(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1Cl ZINC000102995826 568900511 /nfs/dbraw/zinc/90/05/11/568900511.db2.gz XNHMDQJIWIHEGD-GHRIWEEISA-N 0 0 439.298 5.642 50 0 IKAARN O=C1c2ccccc2C(=CNc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccccc1Cl ZINC000102994823 568900521 /nfs/dbraw/zinc/90/05/21/568900521.db2.gz MDVVYHMMSTXOLF-LDADJPATSA-N 0 0 443.717 6.287 50 0 IKAARN O=C1c2ccccc2C(=CNc2cccc3c2CCCC3)C(=O)N1c1ccccc1Cl ZINC000103004507 568900532 /nfs/dbraw/zinc/90/05/32/568900532.db2.gz CRDOSEJMSWVHOR-LTGZKZEYSA-N 0 0 428.919 5.859 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000103005062 568900621 /nfs/dbraw/zinc/90/06/21/568900621.db2.gz PIQZRLVPSVCOOV-LDADJPATSA-N 0 0 443.717 6.287 50 0 IKAARN CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)C1CCC1 ZINC000016435678 568900718 /nfs/dbraw/zinc/90/07/18/568900718.db2.gz LUQZCHHJRJXUOM-UHFFFAOYSA-N 0 0 438.616 5.154 50 0 IKAARN CN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2)c1ccccc1 ZINC000103139087 568901053 /nfs/dbraw/zinc/90/10/53/568901053.db2.gz JPABCNJRZGMTQU-VLGSPTGOSA-N 0 0 438.483 5.134 50 0 IKAARN N=C1C2=C3Sc4ccccc4N3CCCC2=NN1c1c(Cl)cc(Cl)cc1Cl ZINC000013015022 568901467 /nfs/dbraw/zinc/90/14/67/568901467.db2.gz NVAZLBZQELPEJQ-UHFFFAOYSA-N 0 0 435.767 6.418 50 0 IKAARN O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)nc2ccccc12 ZINC000013021036 568902272 /nfs/dbraw/zinc/90/22/72/568902272.db2.gz NBDPVIWEUPGIJG-UHFFFAOYSA-N 0 0 435.528 5.118 50 0 IKAARN O=c1c2ccccc2occ1[C@H]1CC(=O)Nc2cccc3c2c1cn3Cc1cccc(F)c1 ZINC000409415606 568903647 /nfs/dbraw/zinc/90/36/47/568903647.db2.gz SIERJZRDVHJJQF-IBGZPJMESA-N 0 0 438.458 5.409 50 0 biogenic IKAARN Cc1noc(C)c1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013038252 568904406 /nfs/dbraw/zinc/90/44/06/568904406.db2.gz MZKASQGLBZFYNM-UHFFFAOYSA-N 0 0 431.414 5.134 50 0 IKAARN CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000001751949 568904666 /nfs/dbraw/zinc/90/46/66/568904666.db2.gz SWMSVCMYUQWKPM-UHFFFAOYSA-N 0 0 435.520 5.616 50 0 IKAARN CN(Cc1ccsc1)C(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000016461696 568905460 /nfs/dbraw/zinc/90/54/60/568905460.db2.gz XVCCKWRAHINJQY-UHFFFAOYSA-N 0 0 439.920 5.212 50 0 IKAARN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000026652736 568905617 /nfs/dbraw/zinc/90/56/17/568905617.db2.gz FPOLMBGWMFAJOG-UHFFFAOYSA-N 0 0 442.588 5.712 50 0 IKAARN O=C1C(Cl)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccccc1Cl ZINC000001766018 568905785 /nfs/dbraw/zinc/90/57/85/568905785.db2.gz QOMBELISIRSBLW-UHFFFAOYSA-N 0 0 437.326 5.366 50 0 IKAARN Cc1cccc(Oc2c(=O)c3ccc(OCc4ccc(F)cc4)cc3oc2C(F)(F)F)c1 ZINC000001770042 568905956 /nfs/dbraw/zinc/90/59/56/568905956.db2.gz WWHRLYJPQUAASX-UHFFFAOYSA-N 0 0 444.380 6.631 50 0 IKAARN Cc1ccc(COc2ccc3c(c2)occ(Oc2ccccc2Br)c3=O)cc1 ZINC000001769139 568905985 /nfs/dbraw/zinc/90/59/85/568905985.db2.gz SZEQYLBGLGRXRP-UHFFFAOYSA-N 0 0 437.289 6.235 50 0 IKAARN CCCCCCc1cc2c(cc1OC(=O)C(C)(C)C)occ(-c1ccc(Cl)cc1)c2=O ZINC000001771668 568906105 /nfs/dbraw/zinc/90/61/05/568906105.db2.gz CAPBFWMCFTURFH-UHFFFAOYSA-N 0 0 440.967 7.188 50 0 IKAARN COC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770247 568906108 /nfs/dbraw/zinc/90/61/08/568906108.db2.gz YMPAKZXJGSECRK-JTQLQIEISA-N 0 0 426.774 5.073 50 0 IKAARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001770878 568906165 /nfs/dbraw/zinc/90/61/65/568906165.db2.gz LMJGXQXJIDWVLE-UHFFFAOYSA-N 0 0 436.847 5.350 50 0 biogenic IKAARN CN(c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001774998 568906310 /nfs/dbraw/zinc/90/63/10/568906310.db2.gz HWJCIWCLDIZRDL-LOSJGSFVSA-N 0 0 448.975 5.704 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 ZINC000001773633 568906317 /nfs/dbraw/zinc/90/63/17/568906317.db2.gz RDIXDUUYTLZKMM-CQSZACIVSA-N 0 0 435.973 5.501 50 0 IKAARN CC(C)(C)c1ccccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001774246 568906404 /nfs/dbraw/zinc/90/64/04/568906404.db2.gz RBTJZNPNJMLVME-UHFFFAOYSA-N 0 0 432.951 6.093 50 0 IKAARN Cc1cc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc(C)c1Cl ZINC000001775150 568906461 /nfs/dbraw/zinc/90/64/61/568906461.db2.gz IPXJLKIBYNBKGE-UHFFFAOYSA-N 0 0 441.310 7.088 50 0 IKAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(Cl)c(Cl)c3)c2c1 ZINC000001775625 568906541 /nfs/dbraw/zinc/90/65/41/568906541.db2.gz JEOFWJOOAORJQA-UHFFFAOYSA-N 0 0 433.291 5.639 50 0 IKAARN Cc1cc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc(C)c1Cl ZINC000001775152 568906545 /nfs/dbraw/zinc/90/65/45/568906545.db2.gz GOSLYTOMZZRRSB-UHFFFAOYSA-N 0 0 441.310 7.088 50 0 IKAARN Cc1cc(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)cc(C)c1Cl ZINC000001775156 568906560 /nfs/dbraw/zinc/90/65/60/568906560.db2.gz YPILLHZYTDZBQN-INIZCTEOSA-N 0 0 444.911 5.822 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCCOc2cc(C)ccc2C)sc2c1CC[C@H](C)C2 ZINC000001779152 568906760 /nfs/dbraw/zinc/90/67/60/568906760.db2.gz CHERNXLFNBHCIP-INIZCTEOSA-N 0 0 429.582 5.464 50 0 IKAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001778631 568906762 /nfs/dbraw/zinc/90/67/62/568906762.db2.gz GZLXKPRCFBPFLO-UHFFFAOYSA-N 0 0 439.231 5.936 50 0 IKAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000001777777 568906769 /nfs/dbraw/zinc/90/67/69/568906769.db2.gz MLDTVPBLXXGSJV-UHFFFAOYSA-N 0 0 446.934 6.696 50 0 IKAARN Cc1sc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1-c1ccc(C)c(C)c1 ZINC000001781930 568907105 /nfs/dbraw/zinc/90/71/05/568907105.db2.gz FWDWKZAVBHLEEM-UHFFFAOYSA-N 0 0 429.372 6.405 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)c1 ZINC000006442324 568907138 /nfs/dbraw/zinc/90/71/38/568907138.db2.gz KRFVGDMCAXFOMZ-UHFFFAOYSA-N 0 0 435.552 6.773 50 0 IKAARN O=c1c2c(nc(SC3CCCC3)n1Cc1ccco1)-c1ccccc1CC21CCCCC1 ZINC000001783104 568907251 /nfs/dbraw/zinc/90/72/51/568907251.db2.gz QGTRNKKHZDVDNA-UHFFFAOYSA-N 0 0 446.616 6.344 50 0 biogenic IKAARN Cn1c2ccccc2c2nnc(SCCCCC(=O)Nc3cccc4ccccc43)nc21 ZINC000006444410 568907264 /nfs/dbraw/zinc/90/72/64/568907264.db2.gz PHOHZNNXGSVLSD-UHFFFAOYSA-N 0 0 441.560 5.571 50 0 IKAARN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2-c2ccccc2)c1 ZINC000006442771 568907267 /nfs/dbraw/zinc/90/72/67/568907267.db2.gz WJIZQXYSGVGUDB-FQEVSTJZSA-N 0 0 442.588 5.979 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc(C)c1-c1ccccc1 ZINC000001783112 568907338 /nfs/dbraw/zinc/90/73/38/568907338.db2.gz WYSZVYJNDFIWGL-UHFFFAOYSA-N 0 0 430.576 5.089 50 0 IKAARN CC(C)Oc1ccc(-c2csc3ncn([C@H](C)C(=O)OC4CCCCC4)c(=O)c23)cc1 ZINC000001784778 568907504 /nfs/dbraw/zinc/90/75/04/568907504.db2.gz DRPMSLWTFJWGBS-MRXNPFEDSA-N 0 0 440.565 5.349 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccc(OC(C)C)cc2)C(C)C)C(=O)c2ccco2)cc1 ZINC000001786511 568907570 /nfs/dbraw/zinc/90/75/70/568907570.db2.gz VDQZIOAWNGAYTO-AREMUKBSSA-N 0 0 449.591 6.548 50 0 IKAARN CCCOC(=O)c1ccc(CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000001792223 568907999 /nfs/dbraw/zinc/90/79/99/568907999.db2.gz BULVFJIUPICJRZ-UHFFFAOYSA-N 0 0 436.558 5.511 50 0 IKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccc(Br)cc2)cc1 ZINC000001791364 568908005 /nfs/dbraw/zinc/90/80/05/568908005.db2.gz HQIUZVMBVWUHIC-UHFFFAOYSA-N 0 0 437.289 5.810 50 0 IKAARN CCOC(=O)c1c2cc(OCC(=O)c3ccc(Cl)cc3)ccc2oc1-c1ccccc1 ZINC000001799085 568908251 /nfs/dbraw/zinc/90/82/51/568908251.db2.gz FXAXJMCMKZGMIG-UHFFFAOYSA-N 0 0 434.875 6.192 50 0 IKAARN COc1ccc([C@@H](Sc2ccc(Cl)cc2)[C@H]2CCc3ccccc3C2=O)cc1OC ZINC000001798840 568908292 /nfs/dbraw/zinc/90/82/92/568908292.db2.gz OSDNTUDUPKOALG-SQJMNOBHSA-N 0 0 438.976 6.636 50 0 IKAARN Cc1nn(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1 ZINC000001802788 568908569 /nfs/dbraw/zinc/90/85/69/568908569.db2.gz AOGVZOHFEMFHEM-UHFFFAOYSA-N 0 0 446.959 6.224 50 0 IKAARN Cc1cccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc(C(C)(C)C)cc2)c3=O)c1 ZINC000001807450 568908900 /nfs/dbraw/zinc/90/89/00/568908900.db2.gz JJCYEDJFSQBERH-UHFFFAOYSA-N 0 0 428.484 6.410 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000025576329 568909633 /nfs/dbraw/zinc/90/96/33/568909633.db2.gz MMVXZRVACCTCHY-AUSIDOKSSA-N 0 0 439.298 5.964 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577153 568909644 /nfs/dbraw/zinc/90/96/44/568909644.db2.gz SSHVRSKIJMVKPD-XNMGPUDCSA-N 0 0 440.930 6.744 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576685 568909650 /nfs/dbraw/zinc/90/96/50/568909650.db2.gz RPOQKDRVSTUDGM-RPLLCQBOSA-N 0 0 438.914 6.246 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000025577519 568909816 /nfs/dbraw/zinc/90/98/16/568909816.db2.gz WHRLBIAQBSSTIG-AHWVRZQESA-N 0 0 445.349 7.389 50 0 IKAARN COc1ccc(CSc2ncnc3c2sc2nc(C(C)C)c4c(c23)CCCC4)cc1 ZINC000001810264 568913118 /nfs/dbraw/zinc/91/31/18/568913118.db2.gz PWILUOHULJZZTA-UHFFFAOYSA-N 0 0 435.618 6.543 50 0 IKAARN CC(C)c1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001817134 568915323 /nfs/dbraw/zinc/91/53/23/568915323.db2.gz BRAGHIIYVVDGFM-UHFFFAOYSA-N 0 0 432.951 6.309 50 0 IKAARN Fc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000001814214 568915421 /nfs/dbraw/zinc/91/54/21/568915421.db2.gz QLYLIQATMOHGMN-RUZDIDTESA-N 0 0 428.507 6.780 50 0 IKAARN CCc1ccccc1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001814175 568915458 /nfs/dbraw/zinc/91/54/58/568915458.db2.gz YXXWFGNVWSMRIV-UHFFFAOYSA-N 0 0 432.951 6.139 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001818743 568915581 /nfs/dbraw/zinc/91/55/81/568915581.db2.gz NDGVMOSUJJZNFQ-UHFFFAOYSA-N 0 0 446.616 6.168 50 0 IKAARN Cc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000001830490 568916017 /nfs/dbraw/zinc/91/60/17/568916017.db2.gz XAQCGFWEKGEMSB-UHFFFAOYSA-N 0 0 432.951 6.193 50 0 IKAARN COc1ccc(-c2oc3ncnc(NCc4ccccc4)c3c2-c2ccc(OC)cc2)cc1 ZINC000001836093 568916110 /nfs/dbraw/zinc/91/61/10/568916110.db2.gz GNXIJUDVJVHOCW-UHFFFAOYSA-N 0 0 437.499 6.186 50 0 IKAARN COc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000001833674 568916183 /nfs/dbraw/zinc/91/61/83/568916183.db2.gz JQQKIVJLJJPRPV-AREMUKBSSA-N 0 0 440.543 6.650 50 0 IKAARN Cc1ccc([C@@H](CCNC(=O)C[C@@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 ZINC000001832698 568916202 /nfs/dbraw/zinc/91/62/02/568916202.db2.gz FWXYDKSGTWJPJW-KAYWLYCHSA-N 0 0 447.619 6.843 50 0 biogenic IKAARN Cc1ccc([C@H](CCNC(=O)C[C@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 ZINC000001832701 568916240 /nfs/dbraw/zinc/91/62/40/568916240.db2.gz FWXYDKSGTWJPJW-SVBPBHIXSA-N 0 0 447.619 6.843 50 0 biogenic IKAARN Cc1cccc(C)c1OCCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001837675 568916298 /nfs/dbraw/zinc/91/62/98/568916298.db2.gz WLKKAINIYNCFNL-UHFFFAOYSA-N 0 0 446.978 6.583 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2nc(C)cc(C)n2)c2ccccc2)c1C ZINC000026770838 568916463 /nfs/dbraw/zinc/91/64/63/568916463.db2.gz OVLBQOXMHYBELL-HSZRJFAPSA-N 0 0 442.588 6.226 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000001840684 568916570 /nfs/dbraw/zinc/91/65/70/568916570.db2.gz FHNUBYPNTHOYLN-UHFFFAOYSA-N 0 0 443.330 5.040 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2ccccc2c1 ZINC000001842549 568916587 /nfs/dbraw/zinc/91/65/87/568916587.db2.gz WLFVUZNUYQRODA-UHFFFAOYSA-N 0 0 443.494 5.586 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1cc(Br)ccc1OC ZINC000001854416 568916784 /nfs/dbraw/zinc/91/67/84/568916784.db2.gz DQPBDEMPEOELFE-TZIYXEQSSA-N 0 0 447.398 5.498 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1SC[C@H]1CCCO1 ZINC000026783405 568916828 /nfs/dbraw/zinc/91/68/28/568916828.db2.gz JIZZOYCVUUWYSG-QGZVFWFLSA-N 0 0 445.009 5.911 50 0 IKAARN CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@@H](C(C)(C)C)C3 ZINC000001856849 568916924 /nfs/dbraw/zinc/91/69/24/568916924.db2.gz MITWQHRUJHYQHN-CQSZACIVSA-N 0 0 432.659 5.466 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)ccn2)c2ccccc2)c1C ZINC000001890799 568917602 /nfs/dbraw/zinc/91/76/02/568917602.db2.gz PRYZQWNJXGNBNK-XMMPIXPASA-N 0 0 427.573 6.522 50 0 IKAARN Cc1sc2ncnc(Oc3cccc(Oc4ncnc5sc(C)c(C)c54)c3)c2c1C ZINC000001895599 568917708 /nfs/dbraw/zinc/91/77/08/568917708.db2.gz JWUDIMXCMKTMEW-UHFFFAOYSA-N 0 0 434.546 6.514 50 0 IKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(Nc4ccccc4)cc3)c2c1 ZINC000001892565 568917744 /nfs/dbraw/zinc/91/77/44/568917744.db2.gz NVIPZRRARWTOQT-VEWQFJOQSA-N 0 0 446.550 7.647 50 0 IKAARN O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)c1ccc(N2CCCC2)cc1 ZINC000001893321 568917784 /nfs/dbraw/zinc/91/77/84/568917784.db2.gz PVGKAMDWOSGQHX-UHFFFAOYSA-N 0 0 443.474 5.461 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000001895322 568917858 /nfs/dbraw/zinc/91/78/58/568917858.db2.gz HCNLNAPPRXXOQI-JLHYYAGUSA-N 0 0 443.471 5.845 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 ZINC000001897313 568918009 /nfs/dbraw/zinc/91/80/09/568918009.db2.gz PGYDMCASXVERJN-HNNXBMFYSA-N 0 0 428.561 6.016 50 0 IKAARN O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12 ZINC000001901715 568918465 /nfs/dbraw/zinc/91/84/65/568918465.db2.gz LYEKXYDSEMGKQF-UHFFFAOYSA-N 0 0 434.491 6.618 50 0 biogenic IKAARN Cc1cc(C)c(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000001902475 568918572 /nfs/dbraw/zinc/91/85/72/568918572.db2.gz SLYXRYSLXHUWAM-UHFFFAOYSA-N 0 0 446.978 6.501 50 0 IKAARN FC(F)(F)C1(C(F)(F)F)OC(c2cccc(Cl)c2)=Nc2ccc3ccccc3c21 ZINC000001902912 568918634 /nfs/dbraw/zinc/91/86/34/568918634.db2.gz VBDSZFZQMLNWPM-UHFFFAOYSA-N 0 0 429.747 6.922 50 0 IKAARN CCc1cc2c(cc1OCc1cc3c(cc1Cl)OCO3)oc(=O)cc2-c1ccccc1 ZINC000001902824 568918683 /nfs/dbraw/zinc/91/86/83/568918683.db2.gz TXAWSELZQXYOLW-UHFFFAOYSA-N 0 0 434.875 5.984 50 0 IKAARN Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1Cl ZINC000001907370 568919461 /nfs/dbraw/zinc/91/94/61/568919461.db2.gz GIEVPZGFVYPQPI-UHFFFAOYSA-N 0 0 434.948 5.633 50 0 IKAARN COc1cccc(-n2c(=O)c3c(nc2SC(C)C)-c2ccccc2CC32CCCC2)c1 ZINC000001906268 568919488 /nfs/dbraw/zinc/91/94/88/568919488.db2.gz PADDORSABPFZPB-UHFFFAOYSA-N 0 0 432.589 5.777 50 0 biogenic IKAARN CCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000001904271 568919523 /nfs/dbraw/zinc/91/95/23/568919523.db2.gz QUYHZJCQJUJBST-VZUCSPMQSA-N 0 0 428.941 5.913 50 0 IKAARN CCCCCC1CCC(c2ccc(-c3nnc(-c4ccc(OCCCC)cc4)o3)cc2)CC1 ZINC000006471879 568919885 /nfs/dbraw/zinc/91/98/85/568919885.db2.gz UCULDTASYGSFMS-UHFFFAOYSA-N 0 0 446.635 8.437 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000006474746 568920335 /nfs/dbraw/zinc/92/03/35/568920335.db2.gz YCFBWYMXVCFZRA-UHFFFAOYSA-N 0 0 426.973 5.699 50 0 IKAARN O=C(Nc1cccc(NC(=O)Nc2cccc3ccccc32)n1)Nc1cccc2ccccc21 ZINC000016544991 568921077 /nfs/dbraw/zinc/92/10/77/568921077.db2.gz VEXBRKGQAOGXCO-UHFFFAOYSA-N 0 0 447.498 6.676 50 0 IKAARN CN(C)c1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)c(C(F)(F)F)c1 ZINC000089323037 568921095 /nfs/dbraw/zinc/92/10/95/568921095.db2.gz ANTYFXNSSAZDCF-UHFFFAOYSA-N 0 0 439.528 6.129 50 0 IKAARN CCOC(=O)[C@H](CC)Sc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000001911890 568922288 /nfs/dbraw/zinc/92/22/88/568922288.db2.gz HYGVRHOMOMTKDO-AWEZNQCLSA-N 0 0 437.384 5.555 50 0 IKAARN CCCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 ZINC000001916371 568922618 /nfs/dbraw/zinc/92/26/18/568922618.db2.gz XZLJVGBWHCKFHP-UHFFFAOYSA-N 0 0 438.593 6.222 50 0 IKAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)CCC3CCCC3)cc2)n1 ZINC000035793345 568923022 /nfs/dbraw/zinc/92/30/22/568923022.db2.gz MVEHCABRROLKJL-UHFFFAOYSA-N 0 0 448.567 5.177 50 0 IKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000035793508 568923049 /nfs/dbraw/zinc/92/30/49/568923049.db2.gz YBKJBQPHQGTIHC-UHFFFAOYSA-N 0 0 432.549 5.591 50 0 IKAARN CC(C)COc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000035794349 568923062 /nfs/dbraw/zinc/92/30/62/568923062.db2.gz JNUBVRLWNZJODB-UHFFFAOYSA-N 0 0 447.366 5.870 50 0 IKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000035793698 568923132 /nfs/dbraw/zinc/92/31/32/568923132.db2.gz YVHBQAWKWPZBGQ-UHFFFAOYSA-N 0 0 430.483 5.042 50 0 IKAARN C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001931526 568923411 /nfs/dbraw/zinc/92/34/11/568923411.db2.gz ICCQLLSDRXHQJF-GFCCVEGCSA-N 0 0 427.850 5.840 50 0 IKAARN COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)c(OC)c1 ZINC000001944670 568923594 /nfs/dbraw/zinc/92/35/94/568923594.db2.gz IGHJFHNIPDGYPX-LKUDQCMESA-N 0 0 436.305 6.112 50 0 IKAARN COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)cc1OC ZINC000001944662 568923649 /nfs/dbraw/zinc/92/36/49/568923649.db2.gz JRJKNZWNNCRBIY-NCELDCMTSA-N 0 0 436.305 6.112 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CCCCC1 ZINC000001945697 568923714 /nfs/dbraw/zinc/92/37/14/568923714.db2.gz MUXYZWYFYGOQHZ-UHFFFAOYSA-N 0 0 436.371 5.873 50 0 IKAARN Cc1ccc2oc(-c3ccco3)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2c1 ZINC000001952008 568923748 /nfs/dbraw/zinc/92/37/48/568923748.db2.gz DSRLHZQIXSWUGR-UHFFFAOYSA-N 0 0 443.377 5.398 50 0 IKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001958473 568923769 /nfs/dbraw/zinc/92/37/69/568923769.db2.gz CBQHDOVXRKDYRL-OAQYLSRUSA-N 0 0 445.733 5.831 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2ccccc2oc1=O ZINC000001953161 568923805 /nfs/dbraw/zinc/92/38/05/568923805.db2.gz YVIRYJPENCSDDC-UHFFFAOYSA-N 0 0 437.448 5.090 50 0 IKAARN O=C1OC(c2ccc(Br)cc2)=NC1=CNc1cc(Cl)c(Cl)cc1Cl ZINC000001957381 568923825 /nfs/dbraw/zinc/92/38/25/568923825.db2.gz RIAAMROAGYXEIL-AUWJEWJLSA-N 0 0 446.515 5.666 50 0 IKAARN CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O ZINC000001971027 568924018 /nfs/dbraw/zinc/92/40/18/568924018.db2.gz ARMHKDSOMWEMEK-UHFFFAOYSA-N 0 0 439.540 5.479 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1Br ZINC000001986261 568924137 /nfs/dbraw/zinc/92/41/37/568924137.db2.gz HVHAQCQZMFQVCV-UHFFFAOYSA-N 0 0 430.323 5.607 50 0 IKAARN CC1(C)C[C@H](C(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)CCO1 ZINC000000627663 568924439 /nfs/dbraw/zinc/92/44/39/568924439.db2.gz KVMRVXLLPSCCGA-MRXNPFEDSA-N 0 0 426.896 5.267 50 0 biogenic IKAARN CCc1cc2c(cc1OCc1cc(OC)c(OC)c(OC)c1)oc(=O)cc2-c1ccccc1 ZINC000000950430 568924582 /nfs/dbraw/zinc/92/45/82/568924582.db2.gz WFHVOUDTPCPUKL-UHFFFAOYSA-N 0 0 446.499 5.627 50 0 biogenic IKAARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000000703390 568924652 /nfs/dbraw/zinc/92/46/52/568924652.db2.gz TVUSMBRTSALZNW-UHFFFAOYSA-N 0 0 432.428 5.130 50 0 biogenic IKAARN COc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccc(Br)cc2)cc1 ZINC000089438721 568924758 /nfs/dbraw/zinc/92/47/58/568924758.db2.gz ILNGHAWAIKWMRM-LJQANCHMSA-N 0 0 425.282 5.042 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2OC)C(=O)c2ccco2)cc1 ZINC000001134122 568924763 /nfs/dbraw/zinc/92/47/63/568924763.db2.gz BSTNPWDDTFDFKK-HSZRJFAPSA-N 0 0 445.515 5.754 50 0 biogenic IKAARN COC(=O)c1ccc(COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)cc1 ZINC000001148701 568924782 /nfs/dbraw/zinc/92/47/82/568924782.db2.gz KPKPWWBYWCGGQW-UHFFFAOYSA-N 0 0 430.456 5.143 50 0 biogenic IKAARN COc1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)c(C(F)(F)F)c1 ZINC000089432560 568924808 /nfs/dbraw/zinc/92/48/08/568924808.db2.gz PGJKHHOIKQWUHM-UHFFFAOYSA-N 0 0 426.485 6.071 50 0 IKAARN Cc1c2occ(-c3ccc(-c4ccccc4)cc3)c2cc2c(-c3ccccc3)cc(=O)oc12 ZINC000002126316 568924945 /nfs/dbraw/zinc/92/49/45/568924945.db2.gz MFZBIZIKRDFKKD-UHFFFAOYSA-N 0 0 428.487 7.849 50 0 biogenic IKAARN CCCCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1)c2=O ZINC000002119115 568924948 /nfs/dbraw/zinc/92/49/48/568924948.db2.gz JFYBSQMGTNADNR-UHFFFAOYSA-N 0 0 436.382 5.326 50 0 biogenic IKAARN O=c1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2occ1-c1ccc(Cl)cc1 ZINC000001902668 568925018 /nfs/dbraw/zinc/92/50/18/568925018.db2.gz PGVILXLWQTVGFO-UHFFFAOYSA-N 0 0 431.702 6.999 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccc5ccccc5c4)ccc32)cc1 ZINC000002363625 568925090 /nfs/dbraw/zinc/92/50/90/568925090.db2.gz GRDOBSPJSOXLDC-UHFFFAOYSA-N 0 0 436.463 5.884 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O ZINC000002149058 568925229 /nfs/dbraw/zinc/92/52/29/568925229.db2.gz UBSWVZZTGHOAIS-UHFFFAOYSA-N 0 0 435.303 5.483 50 0 biogenic IKAARN COc1ccc(N2N=C(C(C)=O)S[C@]23c2ccccc2C(C)=NN3c2ccccc2)cc1 ZINC000016607916 568925428 /nfs/dbraw/zinc/92/54/28/568925428.db2.gz UUIYECPGXONYIZ-VWLOTQADSA-N 0 0 442.544 5.206 50 0 IKAARN CCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1 ZINC000035806692 568926131 /nfs/dbraw/zinc/92/61/31/568926131.db2.gz PBYKDRRMCLOOKR-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN Cc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000252617254 568926368 /nfs/dbraw/zinc/92/63/68/568926368.db2.gz KPJNHWMRXXEWAE-UHFFFAOYSA-N 0 0 440.467 5.021 50 0 IKAARN COc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccc(Br)c2)c1 ZINC000089467218 568926389 /nfs/dbraw/zinc/92/63/89/568926389.db2.gz HESHLERGDLIIJS-IBGZPJMESA-N 0 0 425.282 5.042 50 0 IKAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000026926507 568926617 /nfs/dbraw/zinc/92/66/17/568926617.db2.gz BRJUDXCTYKQJLJ-UHFFFAOYSA-N 0 0 429.347 5.681 50 0 IKAARN CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C3CCCCC3)c2c1 ZINC000013629681 568927699 /nfs/dbraw/zinc/92/76/99/568927699.db2.gz GJSDVJWKVKIFPD-UHFFFAOYSA-N 0 0 429.516 6.848 50 0 IKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc(Br)cc3F)nc2cc1C ZINC000064439009 568928258 /nfs/dbraw/zinc/92/82/58/568928258.db2.gz QCJFWFIJHLNBHK-UHFFFAOYSA-N 0 0 432.293 5.188 50 0 IKAARN Cc1ccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1 ZINC000064450120 568928967 /nfs/dbraw/zinc/92/89/67/568928967.db2.gz FNDUMSBDWQZIGX-UHFFFAOYSA-N 0 0 433.943 5.194 50 0 IKAARN Cc1cccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1C ZINC000064450114 568929048 /nfs/dbraw/zinc/92/90/48/568929048.db2.gz PDSUOOKKOHULHA-UHFFFAOYSA-N 0 0 447.970 5.502 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000064452482 568929254 /nfs/dbraw/zinc/92/92/54/568929254.db2.gz KDRVILQGPRMSDR-JTQLQIEISA-N 0 0 444.825 5.123 50 0 IKAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000064452531 568929471 /nfs/dbraw/zinc/92/94/71/568929471.db2.gz MQDDSCLHPAJWNM-NRFANRHFSA-N 0 0 430.552 5.556 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2c1 ZINC000006525627 568929582 /nfs/dbraw/zinc/92/95/82/568929582.db2.gz MIQWJXJGTXMVNG-XZUXRINTSA-N 0 0 426.553 5.499 50 0 IKAARN O=C(NCc1ccc2c(c1)OCO2)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000064472778 568929911 /nfs/dbraw/zinc/92/99/11/568929911.db2.gz NJBHQAUVPAPHOT-UHFFFAOYSA-N 0 0 436.920 5.518 50 0 IKAARN Nc1c(NC(=O)Nc2ccc(F)cc2)c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 ZINC000035868138 568929928 /nfs/dbraw/zinc/92/99/28/568929928.db2.gz HICBHADOKUAVDM-UHFFFAOYSA-N 0 0 439.853 5.697 50 0 IKAARN CCOc1ccc(OCC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)c1 ZINC000064472004 568930016 /nfs/dbraw/zinc/93/00/16/568930016.db2.gz YETFAOKVWPHNJM-UHFFFAOYSA-N 0 0 439.943 5.665 50 0 IKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(Br)cc3)c2-n2cccc2)cc1 ZINC000064472576 568930059 /nfs/dbraw/zinc/93/00/59/568930059.db2.gz ATZCZCVGDQINRA-UHFFFAOYSA-N 0 0 437.362 6.529 50 0 IKAARN COc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(Br)cc3)c2c1 ZINC000064474007 568930067 /nfs/dbraw/zinc/93/00/67/568930067.db2.gz NWJPWIQCBBCQRX-UHFFFAOYSA-N 0 0 440.341 5.376 50 0 IKAARN Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)c(Br)c1 ZINC000064471980 568930078 /nfs/dbraw/zinc/93/00/78/568930078.db2.gz ZUMSTAOBOCFDMQ-UHFFFAOYSA-N 0 0 428.305 5.424 50 0 IKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000064474044 568930128 /nfs/dbraw/zinc/93/01/28/568930128.db2.gz SRXINQYYRSMZQR-UHFFFAOYSA-N 0 0 425.916 5.275 50 0 IKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3cccc(Cl)c3)c2cc1OC ZINC000064474084 568930177 /nfs/dbraw/zinc/93/01/77/568930177.db2.gz ZWXIZCUCOHHPKG-UHFFFAOYSA-N 0 0 439.943 5.521 50 0 IKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000064474098 568930214 /nfs/dbraw/zinc/93/02/14/568930214.db2.gz IGULFSKPJGHYCK-UHFFFAOYSA-N 0 0 433.552 5.485 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3cc(OC)c(OC)cc32)cc1 ZINC000064474055 568930231 /nfs/dbraw/zinc/93/02/31/568930231.db2.gz SVEXBSGOBKHIDM-UHFFFAOYSA-N 0 0 435.524 5.020 50 0 IKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)c(F)c3)c2cc1OC ZINC000064474104 568930233 /nfs/dbraw/zinc/93/02/33/568930233.db2.gz WQFXLOHBKZYGHT-UHFFFAOYSA-N 0 0 441.478 5.146 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000064473280 568930355 /nfs/dbraw/zinc/93/03/55/568930355.db2.gz RSIPTLRIFAIHOB-UHFFFAOYSA-N 0 0 447.970 5.502 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1C ZINC000064473343 568930400 /nfs/dbraw/zinc/93/04/00/568930400.db2.gz QBDJKEGFOUDHSH-UHFFFAOYSA-N 0 0 433.943 5.112 50 0 IKAARN O=C(Nc1ccccc1Cl)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000064473125 568930425 /nfs/dbraw/zinc/93/04/25/568930425.db2.gz BXZUTBOECDCFKJ-UHFFFAOYSA-N 0 0 437.906 5.024 50 0 IKAARN Cc1cccc(-c2nc(C)c(C)c(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n2)c1 ZINC000035890601 568930925 /nfs/dbraw/zinc/93/09/25/568930925.db2.gz PSSIDIMHOVWCHM-UHFFFAOYSA-N 0 0 435.959 5.076 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OCCC(C)C)c(OC)c1 ZINC000006543946 568931288 /nfs/dbraw/zinc/93/12/88/568931288.db2.gz KBXFKYFYDDVZBV-UHFFFAOYSA-N 0 0 427.541 5.040 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@@H]1CCCO1 ZINC000006563305 568931449 /nfs/dbraw/zinc/93/14/49/568931449.db2.gz SMKRENWPCYOTMU-FQEVSTJZSA-N 0 0 425.598 5.049 50 0 IKAARN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000064558231 568931977 /nfs/dbraw/zinc/93/19/77/568931977.db2.gz HNSUCBWBNCVDMV-QHCPKHFHSA-N 0 0 447.556 5.450 50 0 IKAARN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000064558229 568932156 /nfs/dbraw/zinc/93/21/56/568932156.db2.gz HNSUCBWBNCVDMV-HSZRJFAPSA-N 0 0 447.556 5.450 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000035945152 568932434 /nfs/dbraw/zinc/93/24/34/568932434.db2.gz HRACICBXLQLKIQ-QGZVFWFLSA-N 0 0 444.645 5.421 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000035945153 568932547 /nfs/dbraw/zinc/93/25/47/568932547.db2.gz HRACICBXLQLKIQ-KRWDZBQOSA-N 0 0 444.645 5.421 50 0 IKAARN COc1ccc(Oc2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ncn2)cc1 ZINC000064568527 568933654 /nfs/dbraw/zinc/93/36/54/568933654.db2.gz RXICRLAOLYUDFA-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccc(Oc2cc(-c3ccc(C(=O)NCc4ccc(C)cc4)cc3)ncn2)cc1 ZINC000064568530 568933769 /nfs/dbraw/zinc/93/37/69/568933769.db2.gz BTOVWKZGQQKRLQ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)cc1 ZINC000064567940 568933805 /nfs/dbraw/zinc/93/38/05/568933805.db2.gz LTPFTNOTVCZRMM-UHFFFAOYSA-N 0 0 439.924 5.384 50 0 IKAARN COc1cccc2c(Nc3cccc(Br)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568493 568933814 /nfs/dbraw/zinc/93/38/14/568933814.db2.gz RSCUFFACXIMJDE-UHFFFAOYSA-N 0 0 440.341 5.376 50 0 IKAARN COc1cc(NC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc(OC)c1 ZINC000064578552 568933837 /nfs/dbraw/zinc/93/38/37/568933837.db2.gz MOGGFROEKUIZNK-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)ncn1 ZINC000064578457 568933930 /nfs/dbraw/zinc/93/39/30/568933930.db2.gz IZPUPEQJRQZPHY-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1OC ZINC000064578642 568934008 /nfs/dbraw/zinc/93/40/08/568934008.db2.gz RYZCQQWFRJFURE-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCc4ccc(C)cc4)c3)ncn2)cc1 ZINC000064578598 568934077 /nfs/dbraw/zinc/93/40/77/568934077.db2.gz NTHATEHNMNAQQJ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000064578698 568934083 /nfs/dbraw/zinc/93/40/83/568934083.db2.gz LODYGYNVSFKYPW-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4ccc(Cl)cc4)c3)ncn2)cc1 ZINC000064578402 568934182 /nfs/dbraw/zinc/93/41/82/568934182.db2.gz XQMUUPQZMIVQKO-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)N(C)Cc4ccccc4)c3)ncn2)cc1 ZINC000064578415 568934209 /nfs/dbraw/zinc/93/42/09/568934209.db2.gz VTUILNLDCJTBFL-UHFFFAOYSA-N 0 0 425.488 5.217 50 0 IKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc1OC ZINC000006591652 568934730 /nfs/dbraw/zinc/93/47/30/568934730.db2.gz GAZAZNIWRNDPRY-BTYIYWSLSA-N 0 0 428.598 6.125 50 0 IKAARN CC(C)c1ccc(-n2ccn3c(SCc4c(F)cccc4Cl)nnc3c2=O)cc1 ZINC000064593916 568936138 /nfs/dbraw/zinc/93/61/38/568936138.db2.gz QTJVNNCHZNPBBD-UHFFFAOYSA-N 0 0 428.920 5.088 50 0 IKAARN Cc1c(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000089544937 568936987 /nfs/dbraw/zinc/93/69/87/568936987.db2.gz IIKVJWFEPBEZSW-UHFFFAOYSA-N 0 0 435.356 5.266 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)c(C)c1 ZINC000016678412 568937502 /nfs/dbraw/zinc/93/75/02/568937502.db2.gz HBXYLCDAVIKDTE-UHFFFAOYSA-N 0 0 431.515 5.275 50 0 IKAARN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)s1 ZINC000089558989 568937545 /nfs/dbraw/zinc/93/75/45/568937545.db2.gz GWUGRWXXTBCGDP-LBPRGKRZSA-N 0 0 425.535 5.394 50 0 IKAARN CCOC(=O)c1c(C)n(CCOc2cc(C(C)C)ccc2C)c2c1cc(O)c1ccccc21 ZINC000016683027 568937749 /nfs/dbraw/zinc/93/77/49/568937749.db2.gz CSAOPMZTRPACGR-UHFFFAOYSA-N 0 0 445.559 6.496 50 0 IKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)oc2c1C(=O)CC(C)(C)C2 ZINC000089568171 568937824 /nfs/dbraw/zinc/93/78/24/568937824.db2.gz MTYUYHPUIVGAOU-HNNXBMFYSA-N 0 0 431.916 5.207 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1ccc(Cl)cc1 ZINC000089577830 568938015 /nfs/dbraw/zinc/93/80/15/568938015.db2.gz PEWKWADQKJBGKF-UHFFFAOYSA-N 0 0 441.940 5.619 50 0 IKAARN CC(C)(C)c1ccc(/C=c2/sc3nc([C@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 ZINC000027024234 568939281 /nfs/dbraw/zinc/93/92/81/568939281.db2.gz JPSWSTZSCDNWPX-FPZAFUISSA-N 0 0 448.419 5.055 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000027026481 568939431 /nfs/dbraw/zinc/93/94/31/568939431.db2.gz ZBULZVUGORQLSH-UHFFFAOYSA-N 0 0 430.573 6.281 50 0 IKAARN O=C(COc1ccc(Cl)cc1)n1c2ccccc2nc1SCc1ccccc1F ZINC000027026499 568939498 /nfs/dbraw/zinc/93/94/98/568939498.db2.gz OWKHKRBKUUYBSA-UHFFFAOYSA-N 0 0 426.900 5.840 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)cc1OC ZINC000064605784 568939613 /nfs/dbraw/zinc/93/96/13/568939613.db2.gz VUOASSVNCLABAS-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)cc(OC)c1 ZINC000064605790 568939669 /nfs/dbraw/zinc/93/96/69/568939669.db2.gz WDLCWUUEIUOSCD-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)c(OC)c1 ZINC000064606058 568939779 /nfs/dbraw/zinc/93/97/79/568939779.db2.gz RIUUDTHQKFQEJT-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605897 568939816 /nfs/dbraw/zinc/93/98/16/568939816.db2.gz HLNBSYXGVUEPGU-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN COc1ccc(OC)c(C(=O)CCCCCCCCC(=O)c2cc(OC)ccc2OC)c1 ZINC000005208822 568940117 /nfs/dbraw/zinc/94/01/17/568940117.db2.gz LSXLSJUIRYFZKA-UHFFFAOYSA-N 0 0 442.552 5.907 50 0 IKAARN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C ZINC000036402613 568940251 /nfs/dbraw/zinc/94/02/51/568940251.db2.gz VKHAHZOOUSRJNA-CLPQFWGYSA-N 0 0 429.604 5.407 50 0 biogenic,in-vitro IKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000035980838 568940267 /nfs/dbraw/zinc/94/02/67/568940267.db2.gz IFXYDHHMOSTFIH-SFHVURJKSA-N 0 0 436.556 5.218 50 0 IKAARN Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1 ZINC000002049926 568940340 /nfs/dbraw/zinc/94/03/40/568940340.db2.gz VIJFQTPMTWJFCU-UHFFFAOYSA-N 0 0 430.349 6.934 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCC2)c1cccs1 ZINC000002062106 568941286 /nfs/dbraw/zinc/94/12/86/568941286.db2.gz ONHSEUKGZNYNBQ-UHFFFAOYSA-N 0 0 430.982 6.237 50 0 IKAARN O=c1oc2ccccc2c2c1[C@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c1-2 ZINC000002060638 568941373 /nfs/dbraw/zinc/94/13/73/568941373.db2.gz NEAOPFRUFFXGOI-VWLOTQADSA-N 0 0 444.317 7.435 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)cc1 ZINC000002064088 568941375 /nfs/dbraw/zinc/94/13/75/568941375.db2.gz WLMGIFNHGGMANU-UHFFFAOYSA-N 0 0 429.586 5.331 50 0 IKAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c12 ZINC000064612424 568941722 /nfs/dbraw/zinc/94/17/22/568941722.db2.gz IMJGMFBJOFOGSV-UHFFFAOYSA-N 0 0 434.609 5.739 50 0 IKAARN CSc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc32)c1 ZINC000064658290 568941972 /nfs/dbraw/zinc/94/19/72/568941972.db2.gz PGZRNEJBYYHGAZ-UHFFFAOYSA-N 0 0 429.998 5.543 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1Cl)N1CCSCC1 ZINC000064658284 568942013 /nfs/dbraw/zinc/94/20/13/568942013.db2.gz BXFYXJHJNNTQFY-UHFFFAOYSA-N 0 0 436.339 5.613 50 0 IKAARN CC(C)COc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656669 568942159 /nfs/dbraw/zinc/94/21/59/568942159.db2.gz XZIHSXAXDKFKIP-LJQANCHMSA-N 0 0 441.574 5.090 50 0 IKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064656517 568942193 /nfs/dbraw/zinc/94/21/93/568942193.db2.gz XYCWREROVDFHKK-SFHVURJKSA-N 0 0 441.574 5.234 50 0 IKAARN CCCCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656665 568942203 /nfs/dbraw/zinc/94/22/03/568942203.db2.gz RHCSTZSKHMEHJR-LJQANCHMSA-N 0 0 441.574 5.234 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)cc2Cl)cc1 ZINC000064656814 568942217 /nfs/dbraw/zinc/94/22/17/568942217.db2.gz MGCKGKRSWKWZBU-OAHLLOKOSA-N 0 0 435.929 5.156 50 0 IKAARN CSc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cc(Cl)ccc32)cc1 ZINC000064657794 568942335 /nfs/dbraw/zinc/94/23/35/568942335.db2.gz IJQBCNXFEGQDDT-UHFFFAOYSA-N 0 0 426.994 6.062 50 0 IKAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCc1cccc(Br)c1 ZINC000064657605 568942373 /nfs/dbraw/zinc/94/23/73/568942373.db2.gz HQVPUZPRZDSWHL-UHFFFAOYSA-N 0 0 443.341 5.588 50 0 IKAARN COc1cccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Br)cc2)CC3)c1 ZINC000064659952 568942533 /nfs/dbraw/zinc/94/25/33/568942533.db2.gz QRGYSMMIHVUTIC-UHFFFAOYSA-N 0 0 444.354 5.171 50 0 IKAARN Cc1cc(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)ccc1Br ZINC000064660124 568942549 /nfs/dbraw/zinc/94/25/49/568942549.db2.gz BSIJVFUYPCFVCD-UHFFFAOYSA-N 0 0 428.355 5.471 50 0 IKAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC3)cc1 ZINC000064660370 568942552 /nfs/dbraw/zinc/94/25/52/568942552.db2.gz UDERJJUZQBCUGZ-UHFFFAOYSA-N 0 0 426.607 5.163 50 0 IKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cccc(Cl)c2C)CC3)cc1 ZINC000064659899 568942583 /nfs/dbraw/zinc/94/25/83/568942583.db2.gz LTLRRSIWZXGZEC-UHFFFAOYSA-N 0 0 427.957 5.761 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccccc3)C2)cc1 ZINC000064665709 568942763 /nfs/dbraw/zinc/94/27/63/568942763.db2.gz FUQOQMWUJMBDEC-UHFFFAOYSA-N 0 0 429.545 5.299 50 0 IKAARN CCN1c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Sc2ccccc2C1=O ZINC000064666571 568942786 /nfs/dbraw/zinc/94/27/86/568942786.db2.gz METWXFLUURQZRG-UHFFFAOYSA-N 0 0 438.936 5.489 50 0 IKAARN Cc1c(S(=O)(=O)NCCC2=CCCCC2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668053 568943127 /nfs/dbraw/zinc/94/31/27/568943127.db2.gz UFZJRQAODSNCHI-UHFFFAOYSA-N 0 0 441.622 5.293 50 0 IKAARN Cc1c(S(=O)(=O)Nc2ccccc2C)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668143 568943176 /nfs/dbraw/zinc/94/31/76/568943176.db2.gz LOLXTUJIBPORTD-UHFFFAOYSA-N 0 0 441.553 5.372 50 0 IKAARN CCCCN(C)S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000064668126 568943182 /nfs/dbraw/zinc/94/31/82/568943182.db2.gz NEKGQBYHNMNUKF-UHFFFAOYSA-N 0 0 438.018 5.198 50 0 IKAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669462 568943222 /nfs/dbraw/zinc/94/32/22/568943222.db2.gz MUAAKSYQHUMMHJ-KRWDZBQOSA-N 0 0 447.510 6.018 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1 ZINC000064669316 568943232 /nfs/dbraw/zinc/94/32/32/568943232.db2.gz VEBWGENJVFKIOF-UHFFFAOYSA-N 0 0 443.522 7.015 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669401 568943240 /nfs/dbraw/zinc/94/32/40/568943240.db2.gz YFZOGSFWULXJTA-UHFFFAOYSA-N 0 0 429.495 6.625 50 0 IKAARN COc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1OC ZINC000064669930 568943384 /nfs/dbraw/zinc/94/33/84/568943384.db2.gz MTVLAVUCYFNDHW-UHFFFAOYSA-N 0 0 432.567 5.060 50 0 IKAARN O=C(NCCc1ccco1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669560 568943389 /nfs/dbraw/zinc/94/33/89/568943389.db2.gz NAMLYKOKLRZGKP-UHFFFAOYSA-N 0 0 447.510 6.020 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3ccc(Br)cc3)no2)cn1-c1ccccc1 ZINC000064664182 568943698 /nfs/dbraw/zinc/94/36/98/568943698.db2.gz PSZNEKZZUKNDJY-UHFFFAOYSA-N 0 0 444.288 5.470 50 0 IKAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)NCc1ccccc1 ZINC000064675746 568943743 /nfs/dbraw/zinc/94/37/43/568943743.db2.gz VPUVDIOQLPQAOZ-UHFFFAOYSA-N 0 0 434.337 5.013 50 0 IKAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)NC1CCCCC1 ZINC000064675785 568943792 /nfs/dbraw/zinc/94/37/92/568943792.db2.gz WKJGDJBWABUUKA-UHFFFAOYSA-N 0 0 426.358 5.145 50 0 IKAARN O=C(CCc1c(-c2ccccc2)nc2ccccn21)NCc1cccc(Br)c1 ZINC000064675900 568943810 /nfs/dbraw/zinc/94/38/10/568943810.db2.gz JTKJRCYALRRMEX-UHFFFAOYSA-N 0 0 434.337 5.013 50 0 IKAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1ccccc1C(F)(F)F ZINC000064675495 568943833 /nfs/dbraw/zinc/94/38/33/568943833.db2.gz HXHIAVRAISLQHF-UHFFFAOYSA-N 0 0 427.401 5.731 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000064675717 568943877 /nfs/dbraw/zinc/94/38/77/568943877.db2.gz XNOLNQVRKYCPEW-IBGZPJMESA-N 0 0 431.967 5.725 50 0 IKAARN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)N[C@@H]1CCCc2ccccc21 ZINC000064675736 568943883 /nfs/dbraw/zinc/94/38/83/568943883.db2.gz DWKAKEZGEWUWIJ-JOCHJYFZSA-N 0 0 429.951 5.781 50 0 IKAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCCC1=CCCCC1 ZINC000064676303 568943930 /nfs/dbraw/zinc/94/39/30/568943930.db2.gz LNXQWPRKCIOSNN-UHFFFAOYSA-N 0 0 444.398 5.375 50 0 IKAARN CCc1nc(-c2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cs1 ZINC000064677437 568944016 /nfs/dbraw/zinc/94/40/16/568944016.db2.gz ONNLNQOZXGPOAG-UHFFFAOYSA-N 0 0 425.985 5.297 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000064687869 568944168 /nfs/dbraw/zinc/94/41/68/568944168.db2.gz BNXGAPNUWAODJQ-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN O=C(NCc1cccs1)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000064687912 568944226 /nfs/dbraw/zinc/94/42/26/568944226.db2.gz LCPBVXODEMBHJF-UHFFFAOYSA-N 0 0 439.968 5.164 50 0 IKAARN CC(C)CCn1c(SCCOc2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000064700315 568944380 /nfs/dbraw/zinc/94/43/80/568944380.db2.gz WXTHRYJLLGKYEU-UHFFFAOYSA-N 0 0 443.569 5.363 50 0 IKAARN Cc1nc(SCc2ccc(C(=O)N3CCCC3)cc2)nc(N(C)Cc2ccccc2)c1C ZINC000036064178 568944806 /nfs/dbraw/zinc/94/48/06/568944806.db2.gz YCSNYWAJMYNXAP-UHFFFAOYSA-N 0 0 446.620 5.258 50 0 IKAARN Cc1ccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC(C)C)co2)c(C)c1 ZINC000036064036 568944812 /nfs/dbraw/zinc/94/48/12/568944812.db2.gz BICIWOUCZALECW-UHFFFAOYSA-N 0 0 444.579 5.156 50 0 IKAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(Cl)c2)n1 ZINC000036064275 568944912 /nfs/dbraw/zinc/94/49/12/568944912.db2.gz KKFBTCXJNUPSJH-UHFFFAOYSA-N 0 0 429.923 5.055 50 0 IKAARN O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000036067064 568945140 /nfs/dbraw/zinc/94/51/40/568945140.db2.gz ICRHMVLNNUJOBN-MHZLTWQESA-N 0 0 447.022 6.532 50 0 IKAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(Cl)cc2Cl)[C@@H](C)c2ccccc2)n1 ZINC000036073404 568945870 /nfs/dbraw/zinc/94/58/70/568945870.db2.gz VZJHVFLDVHSVDV-INIZCTEOSA-N 0 0 446.378 5.837 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1cccc(F)c1 ZINC000036073495 568945916 /nfs/dbraw/zinc/94/59/16/568945916.db2.gz URTWXAPQJANZAR-HXUWFJFHSA-N 0 0 443.522 5.507 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036072375 568946108 /nfs/dbraw/zinc/94/61/08/568946108.db2.gz DKRVTLJEVRNUKS-IBGZPJMESA-N 0 0 437.559 5.668 50 0 IKAARN O=C(NC1CC1)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073681 568946628 /nfs/dbraw/zinc/94/66/28/568946628.db2.gz SJQNPXPOPIUEMW-UHFFFAOYSA-N 0 0 430.335 5.076 50 0 IKAARN CC(C)CNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073673 568946631 /nfs/dbraw/zinc/94/66/31/568946631.db2.gz HFIMMDIXBAXQPN-UHFFFAOYSA-N 0 0 446.378 5.570 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NC2CC2)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000036083096 568946995 /nfs/dbraw/zinc/94/69/95/568946995.db2.gz GGLACTWHTOLVMN-OAHLLOKOSA-N 0 0 444.362 5.637 50 0 IKAARN O=C(c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2Cl)n1)N1CCCC1 ZINC000036082943 568947028 /nfs/dbraw/zinc/94/70/28/568947028.db2.gz SJWRDWXXYQYQMM-UHFFFAOYSA-N 0 0 444.362 5.420 50 0 IKAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036083476 568947249 /nfs/dbraw/zinc/94/72/49/568947249.db2.gz XQLXHUGOCHXAME-QFIPXVFZSA-N 0 0 442.943 5.056 50 0 IKAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036083864 568947571 /nfs/dbraw/zinc/94/75/71/568947571.db2.gz RSHRNJJPOUUJRA-DEOSSOPVSA-N 0 0 436.552 5.019 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)cc1Cl ZINC000064747758 568950018 /nfs/dbraw/zinc/95/00/18/568950018.db2.gz SKWKFQARDHFMFD-MRXNPFEDSA-N 0 0 434.830 5.046 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747722 568950256 /nfs/dbraw/zinc/95/02/56/568950256.db2.gz APKIMBQTXRZWOZ-MRXNPFEDSA-N 0 0 438.356 5.403 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755710 568951183 /nfs/dbraw/zinc/95/11/83/568951183.db2.gz IACHOGIQIMTQKO-UHFFFAOYSA-N 0 0 440.377 5.363 50 0 IKAARN COc1c2cc(NC(=O)Cc3ccc(C)cc3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755770 568951285 /nfs/dbraw/zinc/95/12/85/568951285.db2.gz FOCQXQZTXKOOQB-UHFFFAOYSA-N 0 0 432.451 5.322 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(Cl)s3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755760 568951391 /nfs/dbraw/zinc/95/13/91/568951391.db2.gz ZOXGBICRLKFOTK-UHFFFAOYSA-N 0 0 444.871 5.800 50 0 IKAARN COc1c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755731 568951401 /nfs/dbraw/zinc/95/14/01/568951401.db2.gz WXTSQRRLKGEVRU-UHFFFAOYSA-N 0 0 440.377 5.363 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000064757364 568951656 /nfs/dbraw/zinc/95/16/56/568951656.db2.gz JINYLFSEBQKLBV-XMMPIXPASA-N 0 0 433.596 5.110 50 0 IKAARN CC1CCN(c2nn3c(nc(-c4ccccc4)c3NC(=O)c3cccc(F)c3)s2)CC1 ZINC000064758051 568952210 /nfs/dbraw/zinc/95/22/10/568952210.db2.gz JGXZPOZTYIVSIC-UHFFFAOYSA-N 0 0 435.528 5.086 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006695941 568952458 /nfs/dbraw/zinc/95/24/58/568952458.db2.gz GUDNYQPSJLZNCQ-UHFFFAOYSA-N 0 0 425.548 5.073 50 0 IKAARN CCN(CC)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000006695710 568952503 /nfs/dbraw/zinc/95/25/03/568952503.db2.gz SJBRLGSLMBNTCZ-UHFFFAOYSA-N 0 0 426.630 5.052 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036105292 568952898 /nfs/dbraw/zinc/95/28/98/568952898.db2.gz ABEUGPWVBDWOEX-IBGZPJMESA-N 0 0 438.593 5.788 50 0 IKAARN COc1ccccc1C(=O)N(Cc1csc(COc2ccccc2C(C)C)n1)C(C)C ZINC000036104978 568953150 /nfs/dbraw/zinc/95/31/50/568953150.db2.gz SIMNMAHTZSMCLE-UHFFFAOYSA-N 0 0 438.593 5.905 50 0 IKAARN CC(C)c1ccccc1OCc1nc(CN(C(=O)c2ccccc2F)C(C)C)cs1 ZINC000036104968 568953196 /nfs/dbraw/zinc/95/31/96/568953196.db2.gz BBAKUBUKCAYPQQ-UHFFFAOYSA-N 0 0 426.557 6.035 50 0 IKAARN CC(C)CN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(F)cc1 ZINC000036104888 568953245 /nfs/dbraw/zinc/95/32/45/568953245.db2.gz DMCCWPYIQNJPTR-UHFFFAOYSA-N 0 0 440.584 6.283 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1C ZINC000036105030 568953322 /nfs/dbraw/zinc/95/33/22/568953322.db2.gz BSMNADGESHDOGM-FQEVSTJZSA-N 0 0 436.621 6.595 50 0 IKAARN CC(C)c1csc(-c2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)s2)n1 ZINC000064769482 568953338 /nfs/dbraw/zinc/95/33/38/568953338.db2.gz LXGPBLMIVVVTJS-UHFFFAOYSA-N 0 0 446.541 5.492 50 0 IKAARN CCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(OC)cc1 ZINC000036105108 568953375 /nfs/dbraw/zinc/95/33/75/568953375.db2.gz XYJXYSGVNSIFDA-UHFFFAOYSA-N 0 0 438.593 5.907 50 0 IKAARN CCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(F)cc1 ZINC000036105101 568953393 /nfs/dbraw/zinc/95/33/93/568953393.db2.gz UDBUBFNRJCCDBE-UHFFFAOYSA-N 0 0 426.557 6.037 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1C ZINC000036105028 568953451 /nfs/dbraw/zinc/95/34/51/568953451.db2.gz BSMNADGESHDOGM-HXUWFJFHSA-N 0 0 436.621 6.595 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)C2CC2)c1 ZINC000036105585 568953505 /nfs/dbraw/zinc/95/35/05/568953505.db2.gz WGKPWYGBASWSLI-UHFFFAOYSA-N 0 0 428.941 5.189 50 0 IKAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)c2ccccc2F)cs1 ZINC000036105670 568953517 /nfs/dbraw/zinc/95/35/17/568953517.db2.gz ZVGJPKQOCPVMMK-UHFFFAOYSA-N 0 0 428.529 5.168 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)Cc1ccccc1 ZINC000036105984 568953541 /nfs/dbraw/zinc/95/35/41/568953541.db2.gz YIUAQVHEFRBWDD-HXUWFJFHSA-N 0 0 436.621 6.017 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)Cc1ccccc1 ZINC000036105986 568953563 /nfs/dbraw/zinc/95/35/63/568953563.db2.gz YIUAQVHEFRBWDD-FQEVSTJZSA-N 0 0 436.621 6.017 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C2CC2)c1 ZINC000036106063 568953581 /nfs/dbraw/zinc/95/35/81/568953581.db2.gz VGMFYJGPPJBWEH-UHFFFAOYSA-N 0 0 436.577 5.461 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106471 568953676 /nfs/dbraw/zinc/95/36/76/568953676.db2.gz AMCCOKVVCLYSJN-QGZVFWFLSA-N 0 0 428.985 6.125 50 0 IKAARN CCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106268 568953697 /nfs/dbraw/zinc/95/36/97/568953697.db2.gz AVEVKURHDCOHPG-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(F)cc1 ZINC000036106635 568953739 /nfs/dbraw/zinc/95/37/39/568953739.db2.gz BLTAUUKEKIUDOY-UHFFFAOYSA-N 0 0 432.948 5.813 50 0 IKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036106809 568953833 /nfs/dbraw/zinc/95/38/33/568953833.db2.gz OWTJCHZXPVKNFU-UHFFFAOYSA-N 0 0 444.940 5.157 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036106755 568953843 /nfs/dbraw/zinc/95/38/43/568953843.db2.gz XIVQREFNUXGJTB-MRXNPFEDSA-N 0 0 444.984 5.825 50 0 IKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)cs2)cc1C ZINC000036106935 568953860 /nfs/dbraw/zinc/95/38/60/568953860.db2.gz KOICWDFBZUOTQD-UHFFFAOYSA-N 0 0 438.549 5.118 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106968 568953952 /nfs/dbraw/zinc/95/39/52/568953952.db2.gz JFQQGVQHWQZZSD-GOSISDBHSA-N 0 0 443.012 6.433 50 0 IKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)cs2)cc1C ZINC000036107005 568953956 /nfs/dbraw/zinc/95/39/56/568953956.db2.gz JNJJTAQQJPJOCO-UHFFFAOYSA-N 0 0 426.969 5.797 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)Cc1ccccc1 ZINC000036106742 568953993 /nfs/dbraw/zinc/95/39/93/568953993.db2.gz NISHRMIHACTWPY-KRWDZBQOSA-N 0 0 428.985 5.745 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000064775086 568954354 /nfs/dbraw/zinc/95/43/54/568954354.db2.gz QUPYYFONXASGSI-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccc(Cl)c2)C1)Nc1ccccc1F ZINC000064775112 568954391 /nfs/dbraw/zinc/95/43/91/568954391.db2.gz SOQVQEXIKAPISS-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 ZINC000064775441 568954511 /nfs/dbraw/zinc/95/45/11/568954511.db2.gz OMUCYFKXTSFSLA-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c(C)c1 ZINC000064775437 568954529 /nfs/dbraw/zinc/95/45/29/568954529.db2.gz AEOKBBCFEJSKGP-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccs1 ZINC000036114237 568955046 /nfs/dbraw/zinc/95/50/46/568955046.db2.gz BFPJLVMOFKDQCR-UHFFFAOYSA-N 0 0 430.595 5.079 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(F)cc1 ZINC000036114160 568955096 /nfs/dbraw/zinc/95/50/96/568955096.db2.gz PIVQNZFTNIZBSK-KRWDZBQOSA-N 0 0 426.557 5.919 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)NC(C)(C)C ZINC000036115256 568955243 /nfs/dbraw/zinc/95/52/43/568955243.db2.gz TZPBVGJXZLYJED-UHFFFAOYSA-N 0 0 425.598 5.841 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036114709 568955252 /nfs/dbraw/zinc/95/52/52/568955252.db2.gz YQXIKEHKMXATLE-KRWDZBQOSA-N 0 0 438.549 5.200 50 0 IKAARN O=C(c1ccc(F)cc1)N(Cc1csc(COc2cccc3ccccc32)n1)C1CC1 ZINC000036115054 568955430 /nfs/dbraw/zinc/95/54/30/568955430.db2.gz GAEGBCVRGJZJQQ-UHFFFAOYSA-N 0 0 432.520 5.819 50 0 IKAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1ccccc1 ZINC000036115041 568955436 /nfs/dbraw/zinc/95/54/36/568955436.db2.gz YZGHDDBQKQTCKN-UHFFFAOYSA-N 0 0 432.545 5.164 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(Cc1csc(COc2cccc3ccccc32)n1)C1CC1 ZINC000036115067 568955437 /nfs/dbraw/zinc/95/54/37/568955437.db2.gz OWFAOBABTLCRRG-UHFFFAOYSA-N 0 0 448.975 6.334 50 0 IKAARN O=C(c1ccccc1F)N(Cc1csc(COc2cccc3ccccc32)n1)C1CC1 ZINC000036115065 568955453 /nfs/dbraw/zinc/95/54/53/568955453.db2.gz FGIVEHFLWTUHSU-UHFFFAOYSA-N 0 0 432.520 5.819 50 0 IKAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)CC ZINC000036116912 568955771 /nfs/dbraw/zinc/95/57/71/568955771.db2.gz RADBQVXGYCBKOO-QFIPXVFZSA-N 0 0 442.625 5.025 50 0 IKAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(C)C ZINC000036116724 568955784 /nfs/dbraw/zinc/95/57/84/568955784.db2.gz GDNPMVOLLJBGSL-QFIPXVFZSA-N 0 0 442.625 5.023 50 0 IKAARN CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000064788024 568956448 /nfs/dbraw/zinc/95/64/48/568956448.db2.gz NFXOMMRQSVVFQB-UHFFFAOYSA-N 0 0 437.952 5.671 50 0 IKAARN CCCCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1cc(C)ccc1OC ZINC000006706031 568958067 /nfs/dbraw/zinc/95/80/67/568958067.db2.gz UOCVZZUSYXCXKU-XMMPIXPASA-N 0 0 426.582 5.691 50 0 IKAARN CC(C)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)c1cccs1 ZINC000036124512 568958805 /nfs/dbraw/zinc/95/88/05/568958805.db2.gz XFJDNCWJYYSJPM-UHFFFAOYSA-N 0 0 441.405 6.141 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C3CCCC3)cc2)c(C2CC2)nn1-c1ccccc1C ZINC000036124780 568958814 /nfs/dbraw/zinc/95/88/14/568958814.db2.gz FNHBITPAPZVLHY-UHFFFAOYSA-N 0 0 443.547 5.779 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000006708341 568958818 /nfs/dbraw/zinc/95/88/18/568958818.db2.gz FSKUUUCFABCITH-RDPSFJRHSA-N 0 0 437.628 5.668 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C(C)C)cc2)c(CC(C)C)nn1-c1ccc(C)cc1 ZINC000036124879 568958821 /nfs/dbraw/zinc/95/88/21/568958821.db2.gz YVEBOKGCDYFCDR-UHFFFAOYSA-N 0 0 433.552 5.566 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)[C@@H](C)CC ZINC000006708357 568958889 /nfs/dbraw/zinc/95/88/89/568958889.db2.gz IKAKATUBTJTJHS-KRWDZBQOSA-N 0 0 429.630 5.630 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)CC(C)(C)C)ccc2N(C)C)CC2CC2)c1 ZINC000006708171 568958909 /nfs/dbraw/zinc/95/89/09/568958909.db2.gz AKJBLHVGLWYPKG-UHFFFAOYSA-N 0 0 435.612 5.488 50 0 IKAARN CN(C)c1ccc(NC(=O)c2ccccc2Cl)cc1CN(C(=O)C(C)(C)C)C1CC1 ZINC000006708104 568958922 /nfs/dbraw/zinc/95/89/22/568958922.db2.gz OLULAGQBZFQLGW-UHFFFAOYSA-N 0 0 427.976 5.195 50 0 IKAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccccc2F)n1Cc1ccco1 ZINC000064794469 568959856 /nfs/dbraw/zinc/95/98/56/568959856.db2.gz VBDXQSSSIPIKCY-UHFFFAOYSA-N 0 0 437.525 5.210 50 0 IKAARN Nc1c2cccnc2sc1-c1nnc(SCc2cccc(F)c2)n1Cc1ccco1 ZINC000064794477 568959871 /nfs/dbraw/zinc/95/98/71/568959871.db2.gz OXSZUUMGZLNQME-UHFFFAOYSA-N 0 0 437.525 5.210 50 0 IKAARN CSc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064798367 568960451 /nfs/dbraw/zinc/96/04/51/568960451.db2.gz KLRFVSUEGLPFCK-QGZVFWFLSA-N 0 0 429.588 5.085 50 0 IKAARN O=C1C[C@H](c2ccccc2C(F)(F)F)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064798102 568960457 /nfs/dbraw/zinc/96/04/57/568960457.db2.gz OSRPVEVQLUMQDN-CQSZACIVSA-N 0 0 437.464 5.074 50 0 IKAARN CCc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1 ZINC000064798784 568960534 /nfs/dbraw/zinc/96/05/34/568960534.db2.gz PQMCYRULHNVERV-QGZVFWFLSA-N 0 0 431.966 5.271 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000064798648 568960541 /nfs/dbraw/zinc/96/05/41/568960541.db2.gz DOLVMCHQSISISK-IBGZPJMESA-N 0 0 425.575 5.487 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000064798519 568960576 /nfs/dbraw/zinc/96/05/76/568960576.db2.gz JJPFHBVBEUWWGD-IBGZPJMESA-N 0 0 441.574 5.151 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C1CC1 ZINC000006712987 568960943 /nfs/dbraw/zinc/96/09/43/568960943.db2.gz YJBPMSGXKVRXFV-UHFFFAOYSA-N 0 0 425.548 5.071 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000064801142 568960976 /nfs/dbraw/zinc/96/09/76/568960976.db2.gz ZLOGSLFDRPFPJA-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000064801472 568960997 /nfs/dbraw/zinc/96/09/97/568960997.db2.gz XFHPRNNXMBNWQO-UHFFFAOYSA-N 0 0 432.528 5.090 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)[C@@H](C)C(C)C)c1 ZINC000006713027 568961001 /nfs/dbraw/zinc/96/10/01/568961001.db2.gz NVGWRXTVKZVMGX-SFHVURJKSA-N 0 0 429.630 5.486 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N2CCCC2)n1 ZINC000064800874 568961185 /nfs/dbraw/zinc/96/11/85/568961185.db2.gz GHUKSWGCLDXZPG-UHFFFAOYSA-N 0 0 441.457 5.400 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(F)cc2)[C@@H](C)C(C)C)c1 ZINC000006712378 568961205 /nfs/dbraw/zinc/96/12/05/568961205.db2.gz HKTNBZUFDDZSAK-SFHVURJKSA-N 0 0 427.564 5.173 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCCC2)n1 ZINC000064800822 568961207 /nfs/dbraw/zinc/96/12/07/568961207.db2.gz WAMBJDOYPDUFFY-UHFFFAOYSA-N 0 0 429.568 5.679 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(N2CCCCC2)n1 ZINC000064800960 568961456 /nfs/dbraw/zinc/96/14/56/568961456.db2.gz RRAMDRLUEMMBIG-UHFFFAOYSA-N 0 0 439.922 5.564 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c1 ZINC000064801670 568961467 /nfs/dbraw/zinc/96/14/67/568961467.db2.gz IHLVSMPBFIQFJH-UHFFFAOYSA-N 0 0 444.583 6.534 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064801504 568961565 /nfs/dbraw/zinc/96/15/65/568961565.db2.gz SRDJICUPWBNQBW-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN OC(c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1)(c1ccccc1)c1ccccc1 ZINC000036145487 568961721 /nfs/dbraw/zinc/96/17/21/568961721.db2.gz GPJVBTKUICMTOI-UHFFFAOYSA-N 0 0 449.550 6.359 50 0 IKAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3C)cc2)n1 ZINC000064802066 568961830 /nfs/dbraw/zinc/96/18/30/568961830.db2.gz SYKCLBZWDGMPTL-UHFFFAOYSA-N 0 0 439.585 5.193 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C1CC1)c1ccccc1 ZINC000006722208 568962934 /nfs/dbraw/zinc/96/29/34/568962934.db2.gz XMLBAJSNVJYYHG-DEOSSOPVSA-N 0 0 435.612 5.422 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)C1CC1 ZINC000006722259 568962975 /nfs/dbraw/zinc/96/29/75/568962975.db2.gz BVHNSJBAPHMQHJ-IBGZPJMESA-N 0 0 433.596 5.381 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)C1CC1 ZINC000006722260 568962995 /nfs/dbraw/zinc/96/29/95/568962995.db2.gz BVHNSJBAPHMQHJ-LJQANCHMSA-N 0 0 433.596 5.381 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006722407 568963011 /nfs/dbraw/zinc/96/30/11/568963011.db2.gz ZXWQFLLIEYKKGH-LJQANCHMSA-N 0 0 429.649 5.691 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006722406 568963048 /nfs/dbraw/zinc/96/30/48/568963048.db2.gz ZXWQFLLIEYKKGH-IBGZPJMESA-N 0 0 429.649 5.691 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722649 568963115 /nfs/dbraw/zinc/96/31/15/568963115.db2.gz FCMVUTZFUHGCDB-IBGZPJMESA-N 0 0 435.612 5.627 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C1CC1 ZINC000006722498 568963119 /nfs/dbraw/zinc/96/31/19/568963119.db2.gz VIIZFIKZMAZISX-INIZCTEOSA-N 0 0 427.976 5.195 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C1CCCCC1 ZINC000006722614 568963175 /nfs/dbraw/zinc/96/31/75/568963175.db2.gz PDJBYQNMXYTADM-UHFFFAOYSA-N 0 0 441.660 5.979 50 0 IKAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc32)cc1 ZINC000006724260 568963349 /nfs/dbraw/zinc/96/33/49/568963349.db2.gz PTTLAODZWYEISU-XMMPIXPASA-N 0 0 425.576 5.741 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000006723268 568963764 /nfs/dbraw/zinc/96/37/64/568963764.db2.gz YJXMIQGELTWBHZ-DEOSSOPVSA-N 0 0 435.612 5.280 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000006723269 568963860 /nfs/dbraw/zinc/96/38/60/568963860.db2.gz YJXMIQGELTWBHZ-XMMPIXPASA-N 0 0 435.612 5.280 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)Nc2cccc(F)c2)C1=O ZINC000036151496 568964205 /nfs/dbraw/zinc/96/42/05/568964205.db2.gz DPNYRUSBXMPVAO-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036151469 568964257 /nfs/dbraw/zinc/96/42/57/568964257.db2.gz FXRATAIVCKJWJQ-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817204 568964321 /nfs/dbraw/zinc/96/43/21/568964321.db2.gz ONZXFXMRSRTXLQ-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccc(Cl)cc3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817163 568964323 /nfs/dbraw/zinc/96/43/23/568964323.db2.gz KLNXOPABIOYACS-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccccc3C)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817322 568964534 /nfs/dbraw/zinc/96/45/34/568964534.db2.gz PBRHXYNNNDVQAN-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@@]23c2cc(Cl)ccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036155428 568964699 /nfs/dbraw/zinc/96/46/99/568964699.db2.gz VZBYMISTBIUDPY-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000036155378 568964755 /nfs/dbraw/zinc/96/47/55/568964755.db2.gz IJMNJOVTMCAFMQ-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)N=C(SCC)C(c1ccccc1)=N2 ZINC000064817707 568964813 /nfs/dbraw/zinc/96/48/13/568964813.db2.gz APVCFRRTUSUVCI-UHFFFAOYSA-N 0 0 436.581 5.064 50 0 IKAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)o2)cc1 ZINC000064817886 568964841 /nfs/dbraw/zinc/96/48/41/568964841.db2.gz YKOUAPQZFQXSBN-UHFFFAOYSA-N 0 0 442.581 5.167 50 0 IKAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccc(F)c1 ZINC000036156485 568965169 /nfs/dbraw/zinc/96/51/69/568965169.db2.gz CLDBSBSVCWZFIK-UHFFFAOYSA-N 0 0 449.570 6.160 50 0 IKAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(F)cc1 ZINC000036156464 568965226 /nfs/dbraw/zinc/96/52/26/568965226.db2.gz HUSQHPZDTSSGRH-UHFFFAOYSA-N 0 0 449.570 6.160 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819082 568965800 /nfs/dbraw/zinc/96/58/00/568965800.db2.gz YAXCAXORTLAVNE-CQSZACIVSA-N 0 0 448.876 5.466 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c(C)c1 ZINC000064819084 568965883 /nfs/dbraw/zinc/96/58/83/568965883.db2.gz ZJUWYJGQVLZWPU-MRXNPFEDSA-N 0 0 428.458 5.121 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c(Cl)c1 ZINC000064819086 568966054 /nfs/dbraw/zinc/96/60/54/568966054.db2.gz NDFDSZVAFLNVKR-CQSZACIVSA-N 0 0 448.876 5.466 50 0 IKAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)cc1Cl ZINC000064820186 568966951 /nfs/dbraw/zinc/96/69/51/568966951.db2.gz REWCBNVGJUXTAC-UHFFFAOYSA-N 0 0 427.707 5.388 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1ccc(F)cc1 ZINC000036161061 568967489 /nfs/dbraw/zinc/96/74/89/568967489.db2.gz WZCGCDSBKDQQNM-UHFFFAOYSA-N 0 0 449.570 6.015 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3cccc(Cl)c3)C2=O)c1 ZINC000036164507 568968065 /nfs/dbraw/zinc/96/80/65/568968065.db2.gz UMYDUFJZWZWBHD-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@@]3(SCCN3C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000036164756 568968144 /nfs/dbraw/zinc/96/81/44/568968144.db2.gz KDNAPLMBOHJJEI-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccc(F)cc1)C(=O)N2Cc1cccc(C)c1 ZINC000036164853 568968159 /nfs/dbraw/zinc/96/81/59/568968159.db2.gz HRWXVMCHALBQPI-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1cccc(C)c1 ZINC000036164895 568968166 /nfs/dbraw/zinc/96/81/66/568968166.db2.gz MCJFLGOCZMIYCD-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006735680 568968653 /nfs/dbraw/zinc/96/86/53/568968653.db2.gz HWJJRQCPRDPXSO-VWLOTQADSA-N 0 0 426.560 5.620 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2C)c1 ZINC000006735098 568968655 /nfs/dbraw/zinc/96/86/55/568968655.db2.gz WNPXJMRNKQESHC-OSPHWJPCSA-N 0 0 428.573 6.068 50 0 IKAARN C[C@H](CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1)CC(C)(C)C ZINC000006734496 568968787 /nfs/dbraw/zinc/96/87/87/568968787.db2.gz PNEPEMFDSOMSCO-WAIKUNEKSA-N 0 0 428.573 6.005 50 0 IKAARN C[C@@H](CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1)CC(C)(C)C ZINC000006734494 568968801 /nfs/dbraw/zinc/96/88/01/568968801.db2.gz PNEPEMFDSOMSCO-QMHKHESXSA-N 0 0 428.573 6.005 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000169618059 568969430 /nfs/dbraw/zinc/96/94/30/568969430.db2.gz GBSAGACUTNJOCD-BXBHHXTISA-N 0 0 426.947 6.777 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C\c3ccccc3)c21 ZINC000169621069 568969966 /nfs/dbraw/zinc/96/99/66/568969966.db2.gz DKXAFVUPTBRPIK-DGICKGFZSA-N 0 0 434.583 7.694 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000064847764 568971187 /nfs/dbraw/zinc/97/11/87/568971187.db2.gz MIKUPKRGKZBNNH-HNNXBMFYSA-N 0 0 434.367 5.821 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847812 568971254 /nfs/dbraw/zinc/97/12/54/568971254.db2.gz JERCYPQFAQXZFT-INIZCTEOSA-N 0 0 429.948 5.257 50 0 IKAARN CC(C)N(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F ZINC000036202188 568972459 /nfs/dbraw/zinc/97/24/59/568972459.db2.gz ADPZGKUJXPWBPB-UHFFFAOYSA-N 0 0 441.593 6.237 50 0 IKAARN COCCN(Cc1c(-c2cccc(C)c2)noc1N1CCCC1)C(=O)Nc1ccc(C)cc1 ZINC000036208257 568973376 /nfs/dbraw/zinc/97/33/76/568973376.db2.gz SMKDHGUHNMFSJJ-UHFFFAOYSA-N 0 0 448.567 5.239 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 ZINC000006753179 568975365 /nfs/dbraw/zinc/97/53/65/568975365.db2.gz QPPAFBHJXCLXQL-OAQYLSRUSA-N 0 0 425.532 5.312 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 ZINC000006753181 568975384 /nfs/dbraw/zinc/97/53/84/568975384.db2.gz CENNUUAGZAROPQ-OAQYLSRUSA-N 0 0 425.532 5.312 50 0 IKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Cl)cc2)CC3)cc1OC ZINC000064868085 568975456 /nfs/dbraw/zinc/97/54/56/568975456.db2.gz GZWRLPAYAVOTBR-UHFFFAOYSA-N 0 0 429.929 5.071 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(F)cc1F ZINC000064869672 568976304 /nfs/dbraw/zinc/97/63/04/568976304.db2.gz UKBDSJBHTBNINV-IBGZPJMESA-N 0 0 445.491 5.018 50 0 IKAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(F)cc1F ZINC000064869674 568976339 /nfs/dbraw/zinc/97/63/39/568976339.db2.gz UKBDSJBHTBNINV-LJQANCHMSA-N 0 0 445.491 5.018 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cccc(Cl)c2)=Nc2ccccc2N1 ZINC000064869714 568976375 /nfs/dbraw/zinc/97/63/75/568976375.db2.gz UAAWGHUXTBWOSN-UHFFFAOYSA-N 0 0 429.929 5.005 50 0 IKAARN CCCCc1ccc(NC(=O)CSC2=Nc3ccccc3NC(CC(=O)OC)=C2)cc1 ZINC000064870002 568976553 /nfs/dbraw/zinc/97/65/53/568976553.db2.gz UKDGVCFCTOPUBD-UHFFFAOYSA-N 0 0 437.565 5.304 50 0 IKAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 ZINC000064871962 568977927 /nfs/dbraw/zinc/97/79/27/568977927.db2.gz JWUAKDWPIUCBTB-UHFFFAOYSA-N 0 0 428.579 5.005 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)c1 ZINC000064873186 568978236 /nfs/dbraw/zinc/97/82/36/568978236.db2.gz WTHAJAALVKPWSQ-UHFFFAOYSA-N 0 0 445.906 5.026 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000064873145 568978264 /nfs/dbraw/zinc/97/82/64/568978264.db2.gz AKVAGKYFWSZLDS-UHFFFAOYSA-N 0 0 445.906 5.026 50 0 IKAARN CCCCc1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 ZINC000064872362 568978462 /nfs/dbraw/zinc/97/84/62/568978462.db2.gz MXMZZVWUCMAGOX-UHFFFAOYSA-N 0 0 434.992 7.454 50 0 IKAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2Cl)C(=O)CC(C)(C)C)C1 ZINC000006765658 568978786 /nfs/dbraw/zinc/97/87/86/568978786.db2.gz GOBGFYACVAQMMQ-SFHVURJKSA-N 0 0 428.960 5.307 50 0 IKAARN CC[C@H](C)NC(=O)CCN(CC(C)C)c1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000006766249 568978830 /nfs/dbraw/zinc/97/88/30/568978830.db2.gz MIKUSGXUYDVTEW-INIZCTEOSA-N 0 0 428.964 5.310 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000064888023 568979131 /nfs/dbraw/zinc/97/91/31/568979131.db2.gz XAAXDCNXYCLRBZ-UHFFFAOYSA-N 0 0 447.604 5.288 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000064888036 568979326 /nfs/dbraw/zinc/97/93/26/568979326.db2.gz SWTDYRXPVXGLEX-UHFFFAOYSA-N 0 0 447.604 5.189 50 0 IKAARN COc1ccc(OC)c(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000006768670 568979712 /nfs/dbraw/zinc/97/97/12/568979712.db2.gz QZRMLNYHPCOXEA-OAHLLOKOSA-N 0 0 425.554 5.318 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@H]1CCCO1)C(=O)c1cccs1 ZINC000036245832 568981495 /nfs/dbraw/zinc/98/14/95/568981495.db2.gz WXNNHGJXJDANLN-LJQANCHMSA-N 0 0 439.581 5.071 50 0 IKAARN CC(C)N(C)c1onc(-c2ccccc2)c1CN(C(=O)c1ccc(Cl)cc1)C(C)C ZINC000036245972 568981694 /nfs/dbraw/zinc/98/16/94/568981694.db2.gz SWVFVFJHSWBJDY-UHFFFAOYSA-N 0 0 425.960 5.890 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1cccc(OC)c1 ZINC000036245934 568981699 /nfs/dbraw/zinc/98/16/99/568981699.db2.gz YZVUSLHNVLXDFC-LJQANCHMSA-N 0 0 435.568 5.636 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1OC ZINC000036245939 568981753 /nfs/dbraw/zinc/98/17/53/568981753.db2.gz QCFHYWZCECFIGN-IBGZPJMESA-N 0 0 435.568 5.636 50 0 IKAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000036246391 568981879 /nfs/dbraw/zinc/98/18/79/568981879.db2.gz ZJVPEROSDCKWRT-UHFFFAOYSA-N 0 0 427.541 5.527 50 0 IKAARN COc1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246467 568981925 /nfs/dbraw/zinc/98/19/25/568981925.db2.gz UJZRUWDDZLAJHL-UHFFFAOYSA-N 0 0 425.550 5.223 50 0 IKAARN COc1ccc([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246760 568981931 /nfs/dbraw/zinc/98/19/31/568981931.db2.gz DACHYRBHKUHODW-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246478 568981970 /nfs/dbraw/zinc/98/19/70/568981970.db2.gz GGVXCBFNUHEFIM-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1F)c1ccc(Br)cc1 ZINC000036246580 568981990 /nfs/dbraw/zinc/98/19/90/568981990.db2.gz MPWPSXBNNPTPFV-UHFFFAOYSA-N 0 0 438.293 5.123 50 0 IKAARN COc1cccc([C@@H](C)N(c2cccc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246929 568982072 /nfs/dbraw/zinc/98/20/72/568982072.db2.gz STIQMCDBAUIKEY-MRXNPFEDSA-N 0 0 431.941 5.314 50 0 IKAARN Cc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2cc(Cl)ccc2F)cc1F ZINC000036248286 568982611 /nfs/dbraw/zinc/98/26/11/568982611.db2.gz WKUCUGRCKDIAPZ-UHFFFAOYSA-N 0 0 425.859 5.461 50 0 IKAARN COc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248496 568982766 /nfs/dbraw/zinc/98/27/66/568982766.db2.gz NBZNVAGXFNXCHO-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN CC(C)N(C)c1onc(-c2ccccc2)c1CN(Cc1ccccc1)C(=O)c1ccco1 ZINC000036248913 568983039 /nfs/dbraw/zinc/98/30/39/568983039.db2.gz QLHWKDAQAXKNJV-UHFFFAOYSA-N 0 0 429.520 5.622 50 0 IKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)c1cccc(F)c1)C1CC1 ZINC000036248992 568983062 /nfs/dbraw/zinc/98/30/62/568983062.db2.gz UMSYOUMGRROLNN-UHFFFAOYSA-N 0 0 425.479 5.271 50 0 IKAARN COc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C(C)C)cc1 ZINC000036249424 568983197 /nfs/dbraw/zinc/98/31/97/568983197.db2.gz FLILWZWXHJFANQ-UHFFFAOYSA-N 0 0 433.552 5.391 50 0 IKAARN COc1cccc([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036248759 568983387 /nfs/dbraw/zinc/98/33/87/568983387.db2.gz ZDXLJSRWTMWACP-INIZCTEOSA-N 0 0 433.932 5.753 50 0 IKAARN COc1cccc(N([C@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036248655 568983390 /nfs/dbraw/zinc/98/33/90/568983390.db2.gz WGLQFJIJGQVQSG-MRXNPFEDSA-N 0 0 433.932 5.753 50 0 IKAARN C[C@@H](c1ccccc1F)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036248711 568983391 /nfs/dbraw/zinc/98/33/91/568983391.db2.gz JLFSVQIIKZTRRC-ZDUSSCGKSA-N 0 0 425.859 5.714 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cccc(F)c2)cc1OC ZINC000036248701 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50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)c1ccccc1C ZINC000036249593 568984051 /nfs/dbraw/zinc/98/40/51/568984051.db2.gz ABCCYJDXUNQKGS-HXUWFJFHSA-N 0 0 449.620 5.644 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)C1CCCC1 ZINC000036249592 568984142 /nfs/dbraw/zinc/98/41/42/568984142.db2.gz IQUZHHSNRJNBBD-SFHVURJKSA-N 0 0 427.614 5.212 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000064916771 568985266 /nfs/dbraw/zinc/98/52/66/568985266.db2.gz OVDSAKHZXWZWAF-UHFFFAOYSA-N 0 0 439.924 5.068 50 0 IKAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928903 568987314 /nfs/dbraw/zinc/98/73/14/568987314.db2.gz XQUSUEMKYYXBJO-OAQYLSRUSA-N 0 0 432.543 5.480 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000064930564 568989047 /nfs/dbraw/zinc/98/90/47/568989047.db2.gz AIEIWDJHUXMDJE-KRWDZBQOSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930711 568989070 /nfs/dbraw/zinc/98/90/70/568989070.db2.gz HBCYEZBRMLHTLS-KRWDZBQOSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000064930567 568989097 /nfs/dbraw/zinc/98/90/97/568989097.db2.gz QJCAMYJQGHOOLT-LJQANCHMSA-N 0 0 435.553 5.085 50 0 IKAARN C=C1C(NCc2ccc(OCCCC)cc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006797418 568989750 /nfs/dbraw/zinc/98/97/50/568989750.db2.gz KHZNMQVSYYXKFM-UHFFFAOYSA-N 0 0 426.582 5.252 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C[C@@H](C)c3ccccc3)c2C(=O)[O-])cc1 ZINC000006795586 568989857 /nfs/dbraw/zinc/98/98/57/568989857.db2.gz GPFOCSPAIMBAHE-OAQYLSRUSA-N 0 0 426.560 5.898 50 0 IKAARN Cc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000006795568 568989917 /nfs/dbraw/zinc/98/99/17/568989917.db2.gz SYLTWFRGFPHNQE-UHFFFAOYSA-N 0 0 426.560 5.645 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1Cl ZINC000064944218 568993324 /nfs/dbraw/zinc/99/33/24/568993324.db2.gz XJYHDFDOQPIRCP-UHFFFAOYSA-N 0 0 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ZINC000036306369 568995630 /nfs/dbraw/zinc/99/56/30/568995630.db2.gz VVTOAHNKZFEEHH-HXUWFJFHSA-N 0 0 431.536 5.164 50 0 IKAARN CCc1ccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1 ZINC000064950075 568995640 /nfs/dbraw/zinc/99/56/40/568995640.db2.gz YINFSSNQURXCJX-UHFFFAOYSA-N 0 0 428.879 5.319 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c(C)c1 ZINC000006803105 568995694 /nfs/dbraw/zinc/99/56/94/568995694.db2.gz WTLYMSXPYQXJTA-UHFFFAOYSA-N 0 0 427.552 5.378 50 0 IKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+][C@H](C)CCc3ccccc3)c2C(=O)[O-])cc1 ZINC000006803612 568995806 /nfs/dbraw/zinc/99/58/06/568995806.db2.gz FOQLCSYYRCRACS-OAQYLSRUSA-N 0 0 426.560 5.807 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3cccc(C)c3C)c(C)c12 ZINC000006808808 568997781 /nfs/dbraw/zinc/99/77/81/568997781.db2.gz UIAOXJLQRCGTRB-UHFFFAOYSA-N 0 0 426.564 5.842 50 0 IKAARN O=C(c1cccs1)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312576 568997827 /nfs/dbraw/zinc/99/78/27/568997827.db2.gz 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O=C(Nc1ccc(F)cc1F)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957131 568999468 /nfs/dbraw/zinc/99/94/68/568999468.db2.gz XZDWWCHLQOOJRH-UHFFFAOYSA-N 0 0 448.473 5.123 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315458 568999652 /nfs/dbraw/zinc/99/96/52/568999652.db2.gz OHTZVRKTJRZDQS-MRXNPFEDSA-N 0 0 448.268 5.713 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C[C@H](O)CC ZINC000036316438 568999797 /nfs/dbraw/zinc/99/97/97/568999797.db2.gz ISZKPGNXSLEOPV-JOCHJYFZSA-N 0 0 445.563 5.593 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(C)cc3)c2c(NCCc2ccccc2Cl)n1 ZINC000064960210 569000181 /nfs/dbraw/zinc/00/01/81/569000181.db2.gz PNMHUOKFCNKERV-UHFFFAOYSA-N 0 0 436.899 5.078 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(N[C@H]2CCCc3ccccc32)n1 ZINC000064960322 569000229 /nfs/dbraw/zinc/00/02/29/569000229.db2.gz NULWKTIXGLTIBS-SFHVURJKSA-N 0 0 432.455 5.090 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccccc3Cl)c2c(Nc2ccc(F)cc2C)n1 ZINC000064960373 569000236 /nfs/dbraw/zinc/00/02/36/569000236.db2.gz XUCZGMCFBACJJN-UHFFFAOYSA-N 0 0 426.835 5.306 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000169685671 569000477 /nfs/dbraw/zinc/00/04/77/569000477.db2.gz MBZXLXOYLLQWOG-DHLKQENFSA-N 0 0 436.458 5.614 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C ZINC000064967508 569001248 /nfs/dbraw/zinc/00/12/48/569001248.db2.gz CACFMNUOYGUTSJ-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN CCc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1C ZINC000064967626 569001418 /nfs/dbraw/zinc/00/14/18/569001418.db2.gz ZLCWMOVOZCMCBF-UHFFFAOYSA-N 0 0 435.915 5.066 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)NCc1ccc(Cl)cc1 ZINC000064967159 569001676 /nfs/dbraw/zinc/00/16/76/569001676.db2.gz JLIRSGWGFYFQPH-UHFFFAOYSA-N 0 0 433.964 5.944 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000064967199 569001725 /nfs/dbraw/zinc/00/17/25/569001725.db2.gz BFGADULJNURMFV-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000064967270 569001746 /nfs/dbraw/zinc/00/17/46/569001746.db2.gz GZLXFESTTGFWPB-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN COc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(C)cc3)C2)c1 ZINC000064967189 569001756 /nfs/dbraw/zinc/00/17/56/569001756.db2.gz GBQAQPRBIKVVOO-UHFFFAOYSA-N 0 0 429.545 5.930 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000064967276 569001871 /nfs/dbraw/zinc/00/18/71/569001871.db2.gz FOTOXFQQFZFWBZ-UHFFFAOYSA-N 0 0 445.544 5.630 50 0 IKAARN COc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c1 ZINC000064967357 569001877 /nfs/dbraw/zinc/00/18/77/569001877.db2.gz WEWFBRQEYKFZES-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN COc1cccc(CNc2nc(-c3nnc(-c4cccc(Cl)c4)o3)nc3ccccc32)c1 ZINC000064969986 569076314 /nfs/dbraw/zinc/07/63/14/569076314.db2.gz WMAOGMXUSBKHCO-UHFFFAOYSA-N 0 0 443.894 5.621 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1 ZINC000064972529 569076887 /nfs/dbraw/zinc/07/68/87/569076887.db2.gz VFJNGNSIVKCSII-QGZVFWFLSA-N 0 0 429.545 5.300 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1NC(=O)c1nsc2ccccc21 ZINC000064972657 569076988 /nfs/dbraw/zinc/07/69/88/569076988.db2.gz XEISKXVLMSPKCK-UHFFFAOYSA-N 0 0 427.529 5.056 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC000064972550 569077062 /nfs/dbraw/zinc/07/70/62/569077062.db2.gz AEADCVSLIDZJQA-KRWDZBQOSA-N 0 0 429.545 5.300 50 0 IKAARN Cc1ccc(C(=O)NCc2ccccc2Cl)cc1NC(=O)c1nsc2ccccc21 ZINC000064972597 569077065 /nfs/dbraw/zinc/07/70/65/569077065.db2.gz WIUUGAPROZBXCK-UHFFFAOYSA-N 0 0 435.936 5.440 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000006821441 569077937 /nfs/dbraw/zinc/07/79/37/569077937.db2.gz YKEWWKPTTWZMRI-CRFBAAHOSA-N 0 0 432.446 5.902 50 0 IKAARN CCCN1c2ccc(NC(=O)COc3cccc(C)c3)cc2Sc2ccccc2C1=O ZINC000064979772 569078325 /nfs/dbraw/zinc/07/83/25/569078325.db2.gz NTHSNOYBVGZXJS-UHFFFAOYSA-N 0 0 432.545 5.534 50 0 IKAARN CCCN1c2ccc(-c3noc(/C=C/c4ccco4)n3)cc2Sc2ccccc2C1=O ZINC000064980228 569078361 /nfs/dbraw/zinc/07/83/61/569078361.db2.gz ASVXMOOLBOTIPH-ZRDIBKRKSA-N 0 0 429.501 6.021 50 0 IKAARN CCN1c2ccc(-c3noc(Cc4ccc(F)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980147 569078363 /nfs/dbraw/zinc/07/83/63/569078363.db2.gz DLTFEVYNSBIFGD-UHFFFAOYSA-N 0 0 431.492 5.598 50 0 IKAARN CCN1c2ccc(-c3noc(-c4sc(C)nc4C)n3)cc2Sc2ccccc2C1=O ZINC000064980136 569078365 /nfs/dbraw/zinc/07/83/65/569078365.db2.gz OCDMIZCSHMAAIE-UHFFFAOYSA-N 0 0 434.546 5.608 50 0 IKAARN O=C(Nc1cccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1)c1ccco1 ZINC000064980046 569078374 /nfs/dbraw/zinc/07/83/74/569078374.db2.gz QVLOPZXQMLZSEI-UHFFFAOYSA-N 0 0 440.463 5.109 50 0 IKAARN CCN1c2ccc(-c3noc(-c4cc(C)cc(C)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980146 569078430 /nfs/dbraw/zinc/07/84/30/569078430.db2.gz IGNXIJWMEFCUAS-UHFFFAOYSA-N 0 0 427.529 6.152 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(C4CCCCC4)n3)ccc2N1C1CCCC1 ZINC000064980291 569078549 /nfs/dbraw/zinc/07/85/49/569078549.db2.gz IXFLEZWDTCSIQY-UHFFFAOYSA-N 0 0 445.588 6.838 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccccc1)C[C@@H](C)O ZINC000036342146 569079603 /nfs/dbraw/zinc/07/96/03/569079603.db2.gz BUWXARCNYRRJMM-OAQYLSRUSA-N 0 0 427.548 5.356 50 0 IKAARN COc1ccccc1C1=NN(C(=O)CN(C)Cc2ccccc2)[C@H](c2ccccc2Cl)C1 ZINC000036343940 569079830 /nfs/dbraw/zinc/07/98/30/569079830.db2.gz OVGAFIXEHSNZBW-DEOSSOPVSA-N 0 0 447.966 5.158 50 0 IKAARN Cc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343813 569079874 /nfs/dbraw/zinc/07/98/74/569079874.db2.gz MOBPMCMDZLCTPU-VWLOTQADSA-N 0 0 431.967 5.458 50 0 IKAARN Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036343622 569079904 /nfs/dbraw/zinc/07/99/04/569079904.db2.gz MTMRIEBEUCULMV-MUUNZHRXSA-N 0 0 437.587 5.348 50 0 IKAARN CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036343972 569080044 /nfs/dbraw/zinc/08/00/44/569080044.db2.gz KOMADRYMTJOJSW-AREMUKBSSA-N 0 0 445.538 5.034 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCc3ccccc3C2)c1 ZINC000036344517 569080186 /nfs/dbraw/zinc/08/01/86/569080186.db2.gz QHOGCJLEQBUCTO-HHHXNRCGSA-N 0 0 441.550 5.179 50 0 IKAARN Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)Cc2ccccc2)c1 ZINC000036344520 569080204 /nfs/dbraw/zinc/08/02/04/569080204.db2.gz AXMKCEUGZJJJAW-SANMLTNESA-N 0 0 429.539 5.252 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3C)C2)c1 ZINC000036345011 569080457 /nfs/dbraw/zinc/08/04/57/569080457.db2.gz JUUZHNDZBIGTFF-NDEPHWFRSA-N 0 0 437.587 5.348 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345121 569080460 /nfs/dbraw/zinc/08/04/60/569080460.db2.gz GTENNSBFSGAPAY-MHZLTWQESA-N 0 0 441.575 5.122 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345122 569080559 /nfs/dbraw/zinc/08/05/59/569080559.db2.gz GTENNSBFSGAPAY-HHHXNRCGSA-N 0 0 441.575 5.122 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036345491 569080685 /nfs/dbraw/zinc/08/06/85/569080685.db2.gz MDZZGQLEDNUUSK-SANMLTNESA-N 0 0 429.539 5.252 50 0 IKAARN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346199 569081244 /nfs/dbraw/zinc/08/12/44/569081244.db2.gz QUZJKKHHGAZCKG-ZCYQVOJMSA-N 0 0 449.595 5.033 50 0 IKAARN FC(F)(F)c1ccc([C@@H]2c3cccn3CCCN2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347336 569081309 /nfs/dbraw/zinc/08/13/09/569081309.db2.gz PWXKCCIQIWEFDS-HSZRJFAPSA-N 0 0 428.454 5.273 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000036347359 569081325 /nfs/dbraw/zinc/08/13/25/569081325.db2.gz DQQYWAVCQDHZPI-HSZRJFAPSA-N 0 0 430.470 5.519 50 0 IKAARN FC(F)(F)c1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036347355 569081409 /nfs/dbraw/zinc/08/14/09/569081409.db2.gz GMAYWGULOJCYMC-OAQYLSRUSA-N 0 0 438.415 6.521 50 0 IKAARN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1OC ZINC000036347361 569081415 /nfs/dbraw/zinc/08/14/15/569081415.db2.gz CIIPEQWOIORCMA-JOCHJYFZSA-N 0 0 430.470 5.519 50 0 IKAARN COc1ccc(OC)c(CN2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347486 569081585 /nfs/dbraw/zinc/08/15/85/569081585.db2.gz BXCUDAIBNQOIAT-QHCPKHFHSA-N 0 0 431.363 5.807 50 0 IKAARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000036348545 569081771 /nfs/dbraw/zinc/08/17/71/569081771.db2.gz CPXULEDKHLOAAH-RUZDIDTESA-N 0 0 434.580 5.633 50 0 IKAARN Cc1cc(NC(=O)c2cccc(-c3cc(N4CCCC4)ncn3)c2)ccc1Br ZINC000064989545 569083020 /nfs/dbraw/zinc/08/30/20/569083020.db2.gz WQWQJJJMPSRHMC-UHFFFAOYSA-N 0 0 437.341 5.067 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)c4ccccc4C(F)(F)F)cc32)cc1 ZINC000064989766 569083049 /nfs/dbraw/zinc/08/30/49/569083049.db2.gz YADUQSYFFXIIKX-UHFFFAOYSA-N 0 0 438.449 5.147 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3cc(NC4CCCCC4)ncn3)cc2)cc1OC ZINC000064989503 569083056 /nfs/dbraw/zinc/08/30/56/569083056.db2.gz XXOUJZPWQTYMJQ-UHFFFAOYSA-N 0 0 432.524 5.158 50 0 IKAARN C[C@H]1Cc2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2N1C(=O)c1ccccc1 ZINC000064989932 569083132 /nfs/dbraw/zinc/08/31/32/569083132.db2.gz DUXOEGMCZPDNOV-INIZCTEOSA-N 0 0 438.449 5.227 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(Cl)c4C)cc32)cc1 ZINC000064990328 569083242 /nfs/dbraw/zinc/08/32/42/569083242.db2.gz FQHUHVIFNBPPPW-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1Cl ZINC000064990509 569083381 /nfs/dbraw/zinc/08/33/81/569083381.db2.gz KEIVVQBCXTYXII-KRWDZBQOSA-N 0 0 433.939 5.562 50 0 IKAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(Cl)c4)cc32)cc1 ZINC000064990716 569083451 /nfs/dbraw/zinc/08/34/51/569083451.db2.gz RSNPGRZBCUKABK-UHFFFAOYSA-N 0 0 449.938 5.182 50 0 IKAARN CC(C)c1ccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000036349777 569083763 /nfs/dbraw/zinc/08/37/63/569083763.db2.gz RHYBCXWVKHELHC-UHFFFAOYSA-N 0 0 446.538 7.827 50 0 IKAARN CCc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349851 569083785 /nfs/dbraw/zinc/08/37/85/569083785.db2.gz RGGCXZOPAKFFEO-UHFFFAOYSA-N 0 0 438.902 7.104 50 0 IKAARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)cc1C ZINC000036349785 569083835 /nfs/dbraw/zinc/08/38/35/569083835.db2.gz NKIDIRKXHZAHTJ-UHFFFAOYSA-N 0 0 432.511 7.320 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(F)c(F)c2)o1 ZINC000036352222 569083967 /nfs/dbraw/zinc/08/39/67/569083967.db2.gz BYLQPDGGNYPKOA-RXVVDRJESA-N 0 0 445.263 5.871 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000036352255 569084021 /nfs/dbraw/zinc/08/40/21/569084021.db2.gz UHWXIHJLBMOMJH-BVAGGSTKSA-N 0 0 446.572 6.058 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000036352249 569084048 /nfs/dbraw/zinc/08/40/48/569084048.db2.gz MYBLUZCEHSODIU-RDGATRHJSA-N 0 0 434.923 5.990 50 0 IKAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCC3)cc1 ZINC000036354584 569084211 /nfs/dbraw/zinc/08/42/11/569084211.db2.gz CLCIXAACFXDAIW-RUZDIDTESA-N 0 0 440.543 5.068 50 0 IKAARN C[C@@H](CC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)CC(C)(C)C ZINC000006834337 569084388 /nfs/dbraw/zinc/08/43/88/569084388.db2.gz ICDARQLKKUDSCC-QMHKHESXSA-N 0 0 428.573 6.005 50 0 IKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3ccccc3Cl)o1)CC(=O)N2 ZINC000036356884 569084414 /nfs/dbraw/zinc/08/44/14/569084414.db2.gz JMMJHAKMVPURSE-ZDUSSCGKSA-N 0 0 440.290 5.661 50 0 IKAARN C[C@H](CC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)CC(C)(C)C ZINC000006834343 569084465 /nfs/dbraw/zinc/08/44/65/569084465.db2.gz ICDARQLKKUDSCC-MWTRTKDXSA-N 0 0 428.573 6.005 50 0 IKAARN Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036358019 569084824 /nfs/dbraw/zinc/08/48/24/569084824.db2.gz VZEYXXIRHMESLQ-QHCPKHFHSA-N 0 0 443.522 5.615 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 ZINC000036357851 569084828 /nfs/dbraw/zinc/08/48/28/569084828.db2.gz FUUAPOJBFKMPDX-UHFFFAOYSA-N 0 0 446.938 5.118 50 0 IKAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)cc1 ZINC000006839206 569085186 /nfs/dbraw/zinc/08/51/86/569085186.db2.gz STMDHLIDROTNNN-XMMPIXPASA-N 0 0 428.551 6.443 50 0 IKAARN Cc1ccc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(C)c1 ZINC000065000266 569085892 /nfs/dbraw/zinc/08/58/92/569085892.db2.gz CDXGGNJNTHKEQB-UHFFFAOYSA-N 0 0 432.495 5.001 50 0 IKAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)Nc3ccc(Cl)cc3)c2C1 ZINC000065000214 569085910 /nfs/dbraw/zinc/08/59/10/569085910.db2.gz NPAYUZFSAJXLHR-UHFFFAOYSA-N 0 0 438.886 5.037 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c1 ZINC000065000253 569085952 /nfs/dbraw/zinc/08/59/52/569085952.db2.gz IKPOKUOUALLXLI-UHFFFAOYSA-N 0 0 432.495 5.001 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999552 569086157 /nfs/dbraw/zinc/08/61/57/569086157.db2.gz IVNWEFJYZQTBKJ-UHFFFAOYSA-N 0 0 446.981 5.105 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)s3)cc2)cc1 ZINC000064999614 569086174 /nfs/dbraw/zinc/08/61/74/569086174.db2.gz KBVJRZBTDZDCFV-UHFFFAOYSA-N 0 0 440.590 5.150 50 0 IKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3cccc(Cl)c3)o1)CC(=O)N2 ZINC000036366100 569086966 /nfs/dbraw/zinc/08/69/66/569086966.db2.gz XVJZEQATPAKBJN-CQSZACIVSA-N 0 0 440.290 5.661 50 0 IKAARN CC(C)CCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005666 569087171 /nfs/dbraw/zinc/08/71/71/569087171.db2.gz SDRGWIZPEFIECX-IBGZPJMESA-N 0 0 447.579 5.145 50 0 IKAARN O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)N1CCCCCC1 ZINC000065005459 569087178 /nfs/dbraw/zinc/08/71/78/569087178.db2.gz MCSQKCFCRUWUDJ-UHFFFAOYSA-N 0 0 445.563 5.140 50 0 IKAARN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccccc3Cl)c2oc1C(=O)N1CCCC1 ZINC000065010550 569088333 /nfs/dbraw/zinc/08/83/33/569088333.db2.gz MVQOZWQEHJDPJK-UHFFFAOYSA-N 0 0 446.956 5.048 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)NCc3cccc(OC)c3)cc2c1OCC(C)C ZINC000065023073 569089074 /nfs/dbraw/zinc/08/90/74/569089074.db2.gz ILASUZBNPFZSTB-UHFFFAOYSA-N 0 0 442.537 5.053 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)NCCc3ccccc3)cc2c1OCC(C)C ZINC000065023071 569089100 /nfs/dbraw/zinc/08/91/00/569089100.db2.gz DIKDLKZVCICCBS-UHFFFAOYSA-N 0 0 426.538 5.087 50 0 IKAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCc4ccc(C(C)C)cc4)C3)nc2)cc1 ZINC000065023403 569089305 /nfs/dbraw/zinc/08/93/05/569089305.db2.gz DGKXYRKLQCEMBF-XMMPIXPASA-N 0 0 428.580 5.108 50 0 IKAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023466 569089346 /nfs/dbraw/zinc/08/93/46/569089346.db2.gz PIFTVVJULFDYAM-OAQYLSRUSA-N 0 0 432.543 5.480 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(Cl)cc1)CC(SCC(=O)Nc1ccccc1)=N2 ZINC000065026540 569089825 /nfs/dbraw/zinc/08/98/25/569089825.db2.gz YXAODKZRAYATBK-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN CCCOc1c2cc(NC(=O)Nc3ccc(OC)cc3OC)ccc2sc1C(=O)OC ZINC000065022981 569089836 /nfs/dbraw/zinc/08/98/36/569089836.db2.gz MAEWKKPBEWADNP-UHFFFAOYSA-N 0 0 444.509 5.138 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(F)cc1)CC(SCC(=O)Nc1ccccc1F)=N2 ZINC000065026503 569089839 /nfs/dbraw/zinc/08/98/39/569089839.db2.gz NTNDKEYRKPVNID-UHFFFAOYSA-N 0 0 449.526 6.508 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(F)cc1)CC(SCC(=O)Nc1ccc(F)cc1)=N2 ZINC000065026524 569089843 /nfs/dbraw/zinc/08/98/43/569089843.db2.gz MWTMJYSLSQMSLG-UHFFFAOYSA-N 0 0 449.526 6.508 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)Nc3cccc(Br)c3)cc2c1OC ZINC000065023027 569089883 /nfs/dbraw/zinc/08/98/83/569089883.db2.gz MXUPXOGUQFEEHF-UHFFFAOYSA-N 0 0 435.299 5.103 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCCC4)no3)cc2)cc1 ZINC000065027048 569090159 /nfs/dbraw/zinc/09/01/59/569090159.db2.gz RIKZANNDYVUBHA-UHFFFAOYSA-N 0 0 447.535 5.267 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCC(C)CC4)no3)cc2)c1 ZINC000065027153 569090252 /nfs/dbraw/zinc/09/02/52/569090252.db2.gz XOHTTXVGVSTNPH-UHFFFAOYSA-N 0 0 447.535 5.123 50 0 IKAARN Cc1cc(C)c(NC(=O)c2nc3c4ccccc4oc3c(N3CCCCCC3)n2)c(C)c1 ZINC000065025071 569090359 /nfs/dbraw/zinc/09/03/59/569090359.db2.gz PXHYWAJNTLARQF-UHFFFAOYSA-N 0 0 428.536 5.934 50 0 IKAARN O=C(NCc1ccc(F)cc1Cl)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000065025032 569090461 /nfs/dbraw/zinc/09/04/61/569090461.db2.gz NYRMACSFPZPSQE-UHFFFAOYSA-N 0 0 438.890 5.089 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025625 569090801 /nfs/dbraw/zinc/09/08/01/569090801.db2.gz ZEYYQHOGWWSFTA-SANMLTNESA-N 0 0 434.543 5.563 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)Nc1ccccc1F)=N2 ZINC000065026375 569090938 /nfs/dbraw/zinc/09/09/38/569090938.db2.gz TWXHXKPGUVJUIB-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN COc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)Nc3ccccc3)C2)cc1 ZINC000065026458 569090971 /nfs/dbraw/zinc/09/09/71/569090971.db2.gz KDINVPVVXYDHAR-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)Nc1cc(F)ccc1C)=N2 ZINC000065026400 569091022 /nfs/dbraw/zinc/09/10/22/569091022.db2.gz VAPYUOOVWOLESU-UHFFFAOYSA-N 0 0 445.563 6.677 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1Cl ZINC000065031696 569091714 /nfs/dbraw/zinc/09/17/14/569091714.db2.gz NQHIDDLFEAAVOF-HNNXBMFYSA-N 0 0 433.895 5.365 50 0 IKAARN COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000065034024 569091726 /nfs/dbraw/zinc/09/17/26/569091726.db2.gz LDVUJSVMACMTDJ-UHFFFAOYSA-N 0 0 438.911 5.236 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccccc3Cl)cc21 ZINC000065033969 569091734 /nfs/dbraw/zinc/09/17/34/569091734.db2.gz LFUUCKCDKBCTOJ-UHFFFAOYSA-N 0 0 446.890 5.359 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)c(OC)c1 ZINC000065033925 569091957 /nfs/dbraw/zinc/09/19/57/569091957.db2.gz KVAGBRJOLHCZTA-UHFFFAOYSA-N 0 0 432.451 5.319 50 0 IKAARN COc1ccc(-c2cc(OC)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3n2)cc1 ZINC000065033876 569091960 /nfs/dbraw/zinc/09/19/60/569091960.db2.gz QMWMWXMJXFQZAP-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000065033845 569091983 /nfs/dbraw/zinc/09/19/83/569091983.db2.gz JXVBWZYIZPQYLA-UHFFFAOYSA-N 0 0 432.863 5.545 50 0 IKAARN COc1cccc2c(Nc3ccc(C(F)(F)F)cc3)cc(C(=O)N3CCSCC3)nc12 ZINC000065034458 569092011 /nfs/dbraw/zinc/09/20/11/569092011.db2.gz ZQAYKCRWOMKPGA-UHFFFAOYSA-N 0 0 447.482 5.195 50 0 IKAARN COc1cc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc32)cc(OC)c1OC ZINC000065034419 569092020 /nfs/dbraw/zinc/09/20/20/569092020.db2.gz PPEWNWLWUHYMPY-UHFFFAOYSA-N 0 0 449.551 5.185 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)ncn2)c1 ZINC000065036685 569092574 /nfs/dbraw/zinc/09/25/74/569092574.db2.gz RTIJDUOSKYUWDD-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1ccc(Oc2cc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)ncn2)cc1 ZINC000065036630 569092613 /nfs/dbraw/zinc/09/26/13/569092613.db2.gz NCZXKGTZZFDJOT-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)ncn1 ZINC000065036641 569092630 /nfs/dbraw/zinc/09/26/30/569092630.db2.gz SGZYMLFWMCOZGG-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCCOC(C)C)o2)cc1 ZINC000065036827 569092720 /nfs/dbraw/zinc/09/27/20/569092720.db2.gz MCZCKJBYHGZEFT-UHFFFAOYSA-N 0 0 449.595 6.169 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1 ZINC000065036707 569092721 /nfs/dbraw/zinc/09/27/21/569092721.db2.gz XRAXGNAVQDEYOF-UHFFFAOYSA-N 0 0 446.304 5.951 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)N[C@@H](C)c4ccc(C)cc4)c3)ncn2)cc1 ZINC000065036745 569092739 /nfs/dbraw/zinc/09/27/39/569092739.db2.gz LELGVCITFDCLBT-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN CCc1ccc(NC(=O)c2cccc(-c3cc(Oc4ccc(OC)cc4)ncn3)c2)cc1 ZINC000065036722 569092764 /nfs/dbraw/zinc/09/27/64/569092764.db2.gz BDWYZEGRXBTMTE-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2)cc1 ZINC000065057710 569095267 /nfs/dbraw/zinc/09/52/67/569095267.db2.gz WKJKEXMQJZUSOI-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)N[C@@H](C)c4ccc(C)cc4)cc3)cn2)c1 ZINC000065057786 569095317 /nfs/dbraw/zinc/09/53/17/569095317.db2.gz SNFCRDCAJJDFFN-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057822 569095376 /nfs/dbraw/zinc/09/53/76/569095376.db2.gz FOFOKBQTKNZRFT-UHFFFAOYSA-N 0 0 429.451 5.726 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccccc4C)cc3)cn2)cc1 ZINC000065057714 569095387 /nfs/dbraw/zinc/09/53/87/569095387.db2.gz VFMMMWNYLBCCIQ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1ccc(NC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)c(OC)c1 ZINC000065057831 569095388 /nfs/dbraw/zinc/09/53/88/569095388.db2.gz LIBDHVGGSIJTAJ-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)c(OC)c1 ZINC000065058031 569095399 /nfs/dbraw/zinc/09/53/99/569095399.db2.gz TVUJGCWXFAEXQK-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058024 569095412 /nfs/dbraw/zinc/09/54/12/569095412.db2.gz HMPXASPZYMSXTQ-UHFFFAOYSA-N 0 0 437.833 6.120 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4cccc(OC)c4)nc3)c2)cc1 ZINC000065057980 569095431 /nfs/dbraw/zinc/09/54/31/569095431.db2.gz HYHDPSXLBSNWNZ-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1Cl ZINC000065058102 569095451 /nfs/dbraw/zinc/09/54/51/569095451.db2.gz LVKVJDCODGPOJT-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058004 569095481 /nfs/dbraw/zinc/09/54/81/569095481.db2.gz RTWGHKKZIHNPMP-UHFFFAOYSA-N 0 0 443.434 5.099 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(C(=O)NCc4cccc(Cl)c4)s3)no2)cc1 ZINC000065062857 569097253 /nfs/dbraw/zinc/09/72/53/569097253.db2.gz YGTXSZRGGHMNOT-UHFFFAOYSA-N 0 0 425.897 5.057 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)NCc4ccc(OC(C)C)cc4)s3)no2)cc1 ZINC000065062977 569097718 /nfs/dbraw/zinc/09/77/18/569097718.db2.gz IJBVRAWFXMISJN-UHFFFAOYSA-N 0 0 433.533 5.491 50 0 IKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1 ZINC000065063234 569097745 /nfs/dbraw/zinc/09/77/45/569097745.db2.gz GICKJFGOYYSXPI-UHFFFAOYSA-N 0 0 429.907 6.458 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1 ZINC000065063053 569097779 /nfs/dbraw/zinc/09/77/79/569097779.db2.gz SORREIMNCZDDBG-UHFFFAOYSA-N 0 0 433.533 5.574 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000065063218 569097805 /nfs/dbraw/zinc/09/78/05/569097805.db2.gz BSROMVXBMRQNPQ-UHFFFAOYSA-N 0 0 445.519 5.727 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000065063273 569097808 /nfs/dbraw/zinc/09/78/08/569097808.db2.gz CQACKMMZRCIEMY-UHFFFAOYSA-N 0 0 447.897 5.701 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)c(OC)c1 ZINC000065063250 569097811 /nfs/dbraw/zinc/09/78/11/569097811.db2.gz CPFITXBHIFSQDT-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000065063322 569097822 /nfs/dbraw/zinc/09/78/22/569097822.db2.gz SPUQDPHXDAWEMG-UHFFFAOYSA-N 0 0 427.529 5.588 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1Cl ZINC000065063249 569097926 /nfs/dbraw/zinc/09/79/26/569097926.db2.gz UKKIGELSNIPJHP-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1cccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(C(C)C)c2)c1 ZINC000065075292 569099534 /nfs/dbraw/zinc/09/95/34/569099534.db2.gz JBXSVDHDXXRRGG-NDEPHWFRSA-N 0 0 442.559 5.097 50 0 IKAARN COc1cccc(-c2nc(C3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)no2)c1 ZINC000065076891 569100028 /nfs/dbraw/zinc/10/00/28/569100028.db2.gz FNNYDQRXJRQXIZ-UHFFFAOYSA-N 0 0 432.307 5.072 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(Br)c4)csc3n2)cc1 ZINC000065079327 569100826 /nfs/dbraw/zinc/10/08/26/569100826.db2.gz OBKFBOLHBXSSSW-UHFFFAOYSA-N 0 0 442.338 5.015 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4Cl)csc3n2)cc1OC ZINC000065079557 569100970 /nfs/dbraw/zinc/10/09/70/569100970.db2.gz LSDPBFMWPAEAKJ-UHFFFAOYSA-N 0 0 445.903 5.054 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc5ccccc54)csc3n2)cc1OC ZINC000065079577 569101023 /nfs/dbraw/zinc/10/10/23/569101023.db2.gz XUZSGVNYEIAGDE-UHFFFAOYSA-N 0 0 443.528 5.414 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1ncoc1-c1ccccc1C(=O)Nc1cccc(F)c1 ZINC000065080197 569101236 /nfs/dbraw/zinc/10/12/36/569101236.db2.gz JUQXPVYYUCGPER-UHFFFAOYSA-N 0 0 437.377 5.264 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@@H](C(=O)Nc4cccc(C)c4)C3)sc12 ZINC000065080954 569101242 /nfs/dbraw/zinc/10/12/42/569101242.db2.gz ZVFCFGABCMMVFQ-LJQANCHMSA-N 0 0 445.592 5.262 50 0 IKAARN CCc1cccc(NC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)c1 ZINC000065081337 569101462 /nfs/dbraw/zinc/10/14/62/569101462.db2.gz QKNXBJQVDBVKMX-LJQANCHMSA-N 0 0 445.592 5.208 50 0 IKAARN O=C(NCCc1ccncc1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772717 569101572 /nfs/dbraw/zinc/10/15/72/569101572.db2.gz QUJPPQMJCKVNHY-RUZDIDTESA-N 0 0 445.607 5.016 50 0 IKAARN O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772733 569101748 /nfs/dbraw/zinc/10/17/48/569101748.db2.gz FKUOMSZYHJFUEX-AREMUKBSSA-N 0 0 438.571 5.098 50 0 IKAARN O=C(NCCc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772719 569101766 /nfs/dbraw/zinc/10/17/66/569101766.db2.gz LNZMBMZWQSFFEF-RUZDIDTESA-N 0 0 445.607 5.016 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(OC)cc2)C12CCCCC2 ZINC000169773993 569102081 /nfs/dbraw/zinc/10/20/81/569102081.db2.gz SVJBBWWQVASNME-RUZDIDTESA-N 0 0 448.607 5.097 50 0 IKAARN CCn1c(C)cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1C ZINC000013114718 569102890 /nfs/dbraw/zinc/10/28/90/569102890.db2.gz HNZCCVVPLUBVLO-UHFFFAOYSA-N 0 0 444.988 5.259 50 0 IKAARN CCN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169780416 569103019 /nfs/dbraw/zinc/10/30/19/569103019.db2.gz OZSCZXOWKYAICV-FQEVSTJZSA-N 0 0 447.457 5.020 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085549 569103224 /nfs/dbraw/zinc/10/32/24/569103224.db2.gz QTLWGVSAAGKIES-UHFFFAOYSA-N 0 0 427.934 5.640 50 0 IKAARN Cc1nnc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nc3ccccc3n12 ZINC000065096394 569103584 /nfs/dbraw/zinc/10/35/84/569103584.db2.gz VRLUZBLGIZIQJG-UHFFFAOYSA-N 0 0 428.427 5.161 50 0 IKAARN O=C(NCc1ccc([C@H](O)c2ccsc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000207966670 569104261 /nfs/dbraw/zinc/10/42/61/569104261.db2.gz GAJMTJQRVINVEF-HSZRJFAPSA-N 0 0 433.554 5.445 50 0 IKAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097971 569104360 /nfs/dbraw/zinc/10/43/60/569104360.db2.gz RFDXJFLGNHIQOI-INIZCTEOSA-N 0 0 437.974 5.072 50 0 IKAARN Cc1nc(-c2cccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)c2)cs1 ZINC000065098159 569104598 /nfs/dbraw/zinc/10/45/98/569104598.db2.gz GKPOSLDJABULIX-UHFFFAOYSA-N 0 0 428.473 5.681 50 0 IKAARN CCc1nc(-c2cccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)c2)cs1 ZINC000065098197 569104704 /nfs/dbraw/zinc/10/47/04/569104704.db2.gz DORNGSDWOLSGND-LJQANCHMSA-N 0 0 444.560 5.560 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1 ZINC000169784560 569105178 /nfs/dbraw/zinc/10/51/78/569105178.db2.gz VGGAQAIKQNGQQI-JMFJFPTJSA-N 0 0 447.579 5.211 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000065102490 569106169 /nfs/dbraw/zinc/10/61/69/569106169.db2.gz UTUBQWAXPWIWPW-UHFFFAOYSA-N 0 0 432.593 5.408 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(NC(C)=O)cc1 ZINC000065114503 569106586 /nfs/dbraw/zinc/10/65/86/569106586.db2.gz CWJMOYASVSWCEQ-FQEVSTJZSA-N 0 0 431.540 5.045 50 0 IKAARN COc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccccc1C ZINC000065115519 569106831 /nfs/dbraw/zinc/10/68/31/569106831.db2.gz UCHACODVENKLNS-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CN(c1ccc(C)cc1)S(=O)(=O)c1cccs1 ZINC000065115658 569106835 /nfs/dbraw/zinc/10/68/35/569106835.db2.gz PSEXRFNJZSKXBT-UHFFFAOYSA-N 0 0 438.574 5.724 50 0 IKAARN CCN1c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2Oc2ccccc2C1=O ZINC000065115706 569106894 /nfs/dbraw/zinc/10/68/94/569106894.db2.gz KPJQRDXJJUIFQZ-UHFFFAOYSA-N 0 0 426.394 5.730 50 0 IKAARN C[C@H]1CCCCN1c1cc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1 ZINC000065133576 569110070 /nfs/dbraw/zinc/11/00/70/569110070.db2.gz UPHOKYHIBFXRAV-LBPRGKRZSA-N 0 0 444.910 5.258 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3cccc(C(F)(F)F)c3)C2)c1 ZINC000065136544 569110243 /nfs/dbraw/zinc/11/02/43/569110243.db2.gz CPDRVGZUBKCHQZ-GOSISDBHSA-N 0 0 447.501 5.354 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000065136255 569110248 /nfs/dbraw/zinc/11/02/48/569110248.db2.gz VKIZJMHVAJPXAP-IBGZPJMESA-N 0 0 447.501 5.354 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000065136250 569110314 /nfs/dbraw/zinc/11/03/14/569110314.db2.gz IYAGRWWRWNIBGU-SFHVURJKSA-N 0 0 447.501 5.354 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nccc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000065151279 569111735 /nfs/dbraw/zinc/11/17/35/569111735.db2.gz QJXFBGNHPITBNY-UHFFFAOYSA-N 0 0 446.620 5.283 50 0 IKAARN O=C(CSc1nccc(N2CCCCCC2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000065151247 569111757 /nfs/dbraw/zinc/11/17/57/569111757.db2.gz QWOAGHXNOXXCEN-UHFFFAOYSA-N 0 0 444.910 5.260 50 0 IKAARN O=C(Nc1ccc(F)cc1Br)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153715 569112022 /nfs/dbraw/zinc/11/20/22/569112022.db2.gz FUOOWGMUCCFUTI-UHFFFAOYSA-N 0 0 449.283 5.360 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153718 569112128 /nfs/dbraw/zinc/11/21/28/569112128.db2.gz IVGJXJJIGMPMOB-UHFFFAOYSA-N 0 0 449.283 5.360 50 0 IKAARN O=C(Nc1ccccc1Br)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154030 569112219 /nfs/dbraw/zinc/11/22/19/569112219.db2.gz AKVANFSJTWTVBD-UHFFFAOYSA-N 0 0 449.283 5.360 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154019 569112222 /nfs/dbraw/zinc/11/22/22/569112222.db2.gz RLRLERSGCZDVTD-UHFFFAOYSA-N 0 0 438.384 5.616 50 0 IKAARN CCCn1c(-c2cccc(C(=O)Nc3cccc(Br)c3)c2)nc2cccnc21 ZINC000065172814 569113217 /nfs/dbraw/zinc/11/32/17/569113217.db2.gz MHCOXCWSYLQHIE-UHFFFAOYSA-N 0 0 435.325 5.523 50 0 IKAARN 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569142497 /nfs/dbraw/zinc/14/24/97/569142497.db2.gz HTPYXKVPBHMKGT-UHFFFAOYSA-N 0 0 445.972 5.380 50 0 IKAARN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000170599939 569142565 /nfs/dbraw/zinc/14/25/65/569142565.db2.gz MVLKWFWRFVOSGB-UGSOOPFHSA-N 0 0 448.361 5.241 50 0 IKAARN COc1ccc(CN(Cc2ncc(-c3cccc(F)c3)o2)[C@@H](CCO)c2ccco2)cc1 ZINC000170601560 569142949 /nfs/dbraw/zinc/14/29/49/569142949.db2.gz XPUNWNBGNAJPAX-QFIPXVFZSA-N 0 0 436.483 5.208 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1noc(-c2ccccc2)n1 ZINC000170610407 569144924 /nfs/dbraw/zinc/14/49/24/569144924.db2.gz MFTZBRJVGUOBHA-GOEBONIOSA-N 0 0 439.566 5.089 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2C)c1CCC(=O)N(C)C(C)C ZINC000037278595 569145436 /nfs/dbraw/zinc/14/54/36/569145436.db2.gz OHXIWAKPJMJYPN-UHFFFAOYSA-N 0 0 435.568 5.343 50 0 IKAARN CCN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccc(C)c2)CC1)C1CCCCC1 ZINC000037277392 569145445 /nfs/dbraw/zinc/14/54/45/569145445.db2.gz NONKDMRNJLMMDQ-UHFFFAOYSA-N 0 0 447.623 5.189 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(F)c2)c1CCC(=O)N(C)C(C)C ZINC000037278557 569145470 /nfs/dbraw/zinc/14/54/70/569145470.db2.gz LZLHBPPPNIJSPQ-UHFFFAOYSA-N 0 0 439.531 5.174 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)N(C)C(C)C ZINC000037278573 569145488 /nfs/dbraw/zinc/14/54/88/569145488.db2.gz UHIAQKLKNPMUAW-UHFFFAOYSA-N 0 0 439.531 5.174 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)N(C)C(C)C ZINC000037278506 569145493 /nfs/dbraw/zinc/14/54/93/569145493.db2.gz NJVOPZIMXURPNG-UHFFFAOYSA-N 0 0 435.568 5.343 50 0 IKAARN Cc1ccc(C=CC(=O)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C2SCCS2)cc1 ZINC000008714274 569145552 /nfs/dbraw/zinc/14/55/52/569145552.db2.gz HAOATNNTSJQGHR-MDZDMXLPSA-N 0 0 426.519 5.465 50 0 IKAARN O=C(CCN(Cc1ccccc1)c1nc(-c2ccco2)nc2ccccc21)Nc1ccccc1 ZINC000037285098 569145935 /nfs/dbraw/zinc/14/59/35/569145935.db2.gz FSIJXVCIOFXUQL-UHFFFAOYSA-N 0 0 448.526 5.925 50 0 IKAARN CCOc1cccc2cc([C@@H]3CC(c4cccc(OC)c4)=NN3C(=O)CC)c(Cl)nc21 ZINC000170612429 569145938 /nfs/dbraw/zinc/14/59/38/569145938.db2.gz IZOHVDQNWZFFNN-FQEVSTJZSA-N 0 0 437.927 5.383 50 0 IKAARN COc1cc(OC)cc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3F)C2)c1 ZINC000170615709 569146615 /nfs/dbraw/zinc/14/66/15/569146615.db2.gz XIMLBHCBMOZEAZ-HSZRJFAPSA-N 0 0 438.886 5.488 50 0 IKAARN CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000170618379 569146994 /nfs/dbraw/zinc/14/69/94/569146994.db2.gz GWIGLEUOKWEFLX-QFIPXVFZSA-N 0 0 430.895 5.483 50 0 IKAARN CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000170618428 569147047 /nfs/dbraw/zinc/14/70/47/569147047.db2.gz GCEBMHRKGIXDFV-NRFANRHFSA-N 0 0 432.574 5.750 50 0 IKAARN COc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)c3ccco3)cc2c1 ZINC000170620039 569147475 /nfs/dbraw/zinc/14/74/75/569147475.db2.gz OLKIHNPYTACJEU-QFIPXVFZSA-N 0 0 445.906 5.790 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000007543384 569147740 /nfs/dbraw/zinc/14/77/40/569147740.db2.gz 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Cc1nc([C@@H](NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)c2ccccc2F)no1 ZINC000170629804 569148849 /nfs/dbraw/zinc/14/88/49/569148849.db2.gz KBNCSJMDUDCOHK-QFIPXVFZSA-N 0 0 437.421 5.290 50 0 IKAARN Cc1nc([C@H](NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)c2ccccc2F)no1 ZINC000170629805 569148882 /nfs/dbraw/zinc/14/88/82/569148882.db2.gz KBNCSJMDUDCOHK-JOCHJYFZSA-N 0 0 437.421 5.290 50 0 IKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@H](C(=O)OC)c3ccc(OC)cc3)C2)cc1 ZINC000037341234 569148978 /nfs/dbraw/zinc/14/89/78/569148978.db2.gz KUMPOIKPOYPREE-JBRSBNLGSA-N 0 0 435.564 5.059 50 0 IKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@H](C(=O)OCC)c3cccc(OC)c3)C2)cc1 ZINC000037341585 569148986 /nfs/dbraw/zinc/14/89/86/569148986.db2.gz OEEMFGIAEYPUOQ-BFLUCZKCSA-N 0 0 449.591 5.449 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1CCc1cccs1 ZINC000009870931 569149462 /nfs/dbraw/zinc/14/94/62/569149462.db2.gz HWVVEPKEHYVAMQ-UHFFFAOYSA-N 0 0 441.553 5.573 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000009882608 569149667 /nfs/dbraw/zinc/14/96/67/569149667.db2.gz QGCGEAYWJLZLFT-LBPRGKRZSA-N 0 0 449.001 5.431 50 0 IKAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000009882380 569149683 /nfs/dbraw/zinc/14/96/83/569149683.db2.gz ZNEKCORBTRCRTJ-XMMPIXPASA-N 0 0 443.572 5.194 50 0 IKAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000009882381 569149709 /nfs/dbraw/zinc/14/97/09/569149709.db2.gz ZNEKCORBTRCRTJ-DEOSSOPVSA-N 0 0 443.572 5.194 50 0 IKAARN COCCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1 ZINC000009882639 569149810 /nfs/dbraw/zinc/14/98/10/569149810.db2.gz GQVXHXCOXRVLPT-UHFFFAOYSA-N 0 0 444.560 5.136 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1)c1ccc[nH]1 ZINC000009883243 569150003 /nfs/dbraw/zinc/15/00/03/569150003.db2.gz DREMETOCUBZDEV-UHFFFAOYSA-N 0 0 435.380 6.060 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc43)cc2NC1=O ZINC000009910272 569150492 /nfs/dbraw/zinc/15/04/92/569150492.db2.gz 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CCc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000010059094 569152102 /nfs/dbraw/zinc/15/21/02/569152102.db2.gz KDNQDRMAYQSDGR-SANMLTNESA-N 0 0 433.935 5.218 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000010059363 569152158 /nfs/dbraw/zinc/15/21/58/569152158.db2.gz RNBKZGDEDFSTIK-YEJXKQKISA-N 0 0 440.996 7.241 50 0 IKAARN Cc1cc(C(C)(C)C)cc(C)c1C(=O)C[C@]1(O)c2ccccc2N(Cc2ccccc2)C1=O ZINC000010059226 569152161 /nfs/dbraw/zinc/15/21/61/569152161.db2.gz QRQAIPJGCTUQRI-LJAQVGFWSA-N 0 0 441.571 5.608 50 0 IKAARN CCCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000010059217 569152190 /nfs/dbraw/zinc/15/21/90/569152190.db2.gz OIBVCGZNTJQPJU-SSEXGKCCSA-N 0 0 449.550 5.800 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000010059361 569152240 /nfs/dbraw/zinc/15/22/40/569152240.db2.gz RNBKZGDEDFSTIK-ZSEKCTLFSA-N 0 0 440.996 7.241 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(=O)c1ccccc1 ZINC000010060011 569152356 /nfs/dbraw/zinc/15/23/56/569152356.db2.gz WWWWMQDAWXRHED-UHFFFAOYSA-N 0 0 438.549 5.180 50 0 IKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3-c3ccccc3)c(Cl)c12 ZINC000010220416 569152939 /nfs/dbraw/zinc/15/29/39/569152939.db2.gz BWIMYLWRMUVJEN-UHFFFAOYSA-N 0 0 438.918 6.302 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)c1 ZINC000010218121 569153351 /nfs/dbraw/zinc/15/33/51/569153351.db2.gz LZYHNUAEKSGVRU-UHFFFAOYSA-N 0 0 432.542 5.477 50 0 IKAARN COc1ccc([C@@H](CNC(=O)c2sc(-c3ccsc3)nc2C)N2CCCCC2)cc1 ZINC000010217969 569153354 /nfs/dbraw/zinc/15/33/54/569153354.db2.gz DYQCZLLVTKEZTG-HXUWFJFHSA-N 0 0 441.622 5.146 50 0 IKAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000010218281 569153506 /nfs/dbraw/zinc/15/35/06/569153506.db2.gz QCIQFUAAZFRTHG-UHFFFAOYSA-N 0 0 436.558 5.156 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2n[nH]c(-c3ccc(C)cc3)n2)c2ccccc2)c1 ZINC000010218264 569153514 /nfs/dbraw/zinc/15/35/14/569153514.db2.gz SLVUVBFNQXLRSZ-JOCHJYFZSA-N 0 0 442.544 5.455 50 0 IKAARN O=C(CCC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc2ccccc2c1 ZINC000010219432 569153723 /nfs/dbraw/zinc/15/37/23/569153723.db2.gz QBEUTDIWGKKXSU-VWLOTQADSA-N 0 0 431.582 6.100 50 0 IKAARN COc1ccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)nc2c1 ZINC000010254389 569154205 /nfs/dbraw/zinc/15/42/05/569154205.db2.gz KRVFPVOHXYNYCQ-UHFFFAOYSA-N 0 0 435.574 5.198 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)c3ccc(Cl)s3)nc21 ZINC000010254340 569154209 /nfs/dbraw/zinc/15/42/09/569154209.db2.gz NIAFVSSKTUPHPY-UHFFFAOYSA-N 0 0 445.953 5.270 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000013329385 569155161 /nfs/dbraw/zinc/15/51/61/569155161.db2.gz LLVDROOYOOLCRJ-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN C[C@@H]1CN(C(=O)Cn2cc(SCc3cccc4ccccc43)c3ccccc32)C[C@@H](C)O1 ZINC000010459087 569154767 /nfs/dbraw/zinc/15/47/67/569154767.db2.gz HAGBIXZOMRJGGB-WOJBJXKFSA-N 0 0 444.600 5.723 50 0 IKAARN CC(C)(C)P(=NC(=S)NCc1ccccc1)(N1CCCCCC1)N1CCCCCC1 ZINC000013304364 569154882 /nfs/dbraw/zinc/15/48/82/569154882.db2.gz OPWDGTZMJQGKCE-UHFFFAOYSA-N 0 0 448.661 6.643 50 0 IKAARN CCC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000013320470 569154895 /nfs/dbraw/zinc/15/48/95/569154895.db2.gz RBOAXCPFYYTZFQ-BAMAOYLXSA-N 0 0 428.926 6.865 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000013330812 569155119 /nfs/dbraw/zinc/15/51/19/569155119.db2.gz RAZKFPHWONXPGP-UHFFFAOYSA-N 0 0 435.778 5.465 50 0 IKAARN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000013324414 569155029 /nfs/dbraw/zinc/15/50/29/569155029.db2.gz ISUDYTUKLPMDFV-UHFFFAOYSA-N 0 0 428.747 5.005 50 0 IKAARN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000013324893 569155063 /nfs/dbraw/zinc/15/50/63/569155063.db2.gz KFLYJPVOWRSTNN-UHFFFAOYSA-N 0 0 428.747 5.005 50 0 IKAARN Cc1scc(-c2nnc(SCc3c(F)cccc3Cl)n2C)c1-c1ccccc1 ZINC000013325501 569155126 /nfs/dbraw/zinc/15/51/26/569155126.db2.gz GSEUXLSFSFRTMS-UHFFFAOYSA-N 0 0 429.973 6.604 50 0 IKAARN Cn1c(COc2cccc(C(F)(F)F)c2)nnc1SCc1c(F)cccc1Cl ZINC000013325736 569155182 /nfs/dbraw/zinc/15/51/82/569155182.db2.gz CRSRNLAKGWEJKW-UHFFFAOYSA-N 0 0 431.842 5.498 50 0 IKAARN Cc1ccccc1NC(=S)Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000013329397 569155189 /nfs/dbraw/zinc/15/51/89/569155189.db2.gz XYQCOSURCNXIKB-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1Cl ZINC000013331655 569155286 /nfs/dbraw/zinc/15/52/86/569155286.db2.gz DVDMNXRJAUNVEV-UHFFFAOYSA-N 0 0 428.920 5.171 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1Cl ZINC000013331490 569155289 /nfs/dbraw/zinc/15/52/89/569155289.db2.gz FKFZTRRAQNVFFO-UHFFFAOYSA-N 0 0 428.920 5.171 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1C[C@@H](c1ccccc1)CC2)c1ccc(F)cc1 ZINC000013575995 569155936 /nfs/dbraw/zinc/15/59/36/569155936.db2.gz HXPVJQNXWZYYOY-FQEVSTJZSA-N 0 0 439.486 5.686 50 0 IKAARN Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1C ZINC000013578947 569156010 /nfs/dbraw/zinc/15/60/10/569156010.db2.gz SFDQQEIGKUXRKU-QFIPXVFZSA-N 0 0 436.577 5.246 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)/C=C\c4ccccc4)ccc3o2)cc1Br ZINC000013633933 569156379 /nfs/dbraw/zinc/15/63/79/569156379.db2.gz YKDPXECHGDEUGS-GHXNOFRVSA-N 0 0 449.304 5.918 50 0 IKAARN Cn1c(COc2ccccc2Cl)nnc1SCc1csc(-c2ccccc2)n1 ZINC000013841806 569157316 /nfs/dbraw/zinc/15/73/16/569157316.db2.gz LQKNLJXHMUKKQF-UHFFFAOYSA-N 0 0 428.970 5.463 50 0 IKAARN COc1ccc(OC)c(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 ZINC000013972381 569157384 /nfs/dbraw/zinc/15/73/84/569157384.db2.gz ZSMYRBOTKJHYRL-UHFFFAOYSA-N 0 0 444.512 5.311 50 0 IKAARN COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1C ZINC000013971675 569157401 /nfs/dbraw/zinc/15/74/01/569157401.db2.gz JDJYRAKBQYDNJD-UHFFFAOYSA-N 0 0 442.540 5.539 50 0 IKAARN Cc1oc2cc(Oc3ccc4nnc(C(F)(F)F)n4n3)ccc2c(=O)c1-c1ccccc1 ZINC000014300730 569158514 /nfs/dbraw/zinc/15/85/14/569158514.db2.gz NXMUWSOFNMWNHA-UHFFFAOYSA-N 0 0 438.365 5.017 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662040 569160849 /nfs/dbraw/zinc/16/08/49/569160849.db2.gz QAMLRPXMMZCXPN-RBUKOAKNSA-N 0 0 446.979 5.144 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662162 569160922 /nfs/dbraw/zinc/16/09/22/569160922.db2.gz NYMNHIOZXYHXJA-MOPGFXCFSA-N 0 0 446.979 5.144 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662156 569160938 /nfs/dbraw/zinc/16/09/38/569160938.db2.gz NYMNHIOZXYHXJA-OALUTQOASA-N 0 0 446.979 5.144 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662099 569160984 /nfs/dbraw/zinc/16/09/84/569160984.db2.gz GRHRAEJAGOWHKT-VQTJNVASSA-N 0 0 445.991 5.749 50 0 IKAARN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000016776853 569161799 /nfs/dbraw/zinc/16/17/99/569161799.db2.gz QEDGTXKZELZINV-HSZRJFAPSA-N 0 0 439.559 5.248 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000016841083 569163220 /nfs/dbraw/zinc/16/32/20/569163220.db2.gz IHPQCFHVQJOVFJ-UHFFFAOYSA-N 0 0 431.311 5.038 50 0 IKAARN CCc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccc(Cl)cc4)oc3C)c2C)cc1 ZINC000016841255 569163267 /nfs/dbraw/zinc/16/32/67/569163267.db2.gz NWLRTNFTUKPJKQ-UHFFFAOYSA-N 0 0 436.899 5.112 50 0 IKAARN Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3-c3ccc(C)cc3)n2)cc1 ZINC000016842195 569163432 /nfs/dbraw/zinc/16/34/32/569163432.db2.gz MRHIIIILWMGADB-UHFFFAOYSA-N 0 0 446.557 5.406 50 0 IKAARN Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2-c2ccccc2)n1 ZINC000016842931 569163469 /nfs/dbraw/zinc/16/34/69/569163469.db2.gz QSQPBRJVFAOQHK-UHFFFAOYSA-N 0 0 432.530 5.098 50 0 IKAARN CCCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(F)cc2)no1 ZINC000016843298 569163557 /nfs/dbraw/zinc/16/35/57/569163557.db2.gz XEYYWPVGGMZZQC-UHFFFAOYSA-N 0 0 430.530 5.130 50 0 IKAARN Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2CCC(C)C)n1 ZINC000016845786 569163909 /nfs/dbraw/zinc/16/39/09/569163909.db2.gz YMMBMDOTRQAPFS-UHFFFAOYSA-N 0 0 426.567 5.155 50 0 IKAARN C[C@@H](NC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 ZINC000016849202 569164519 /nfs/dbraw/zinc/16/45/19/569164519.db2.gz GQWDBYZNCRKGPZ-CQSZACIVSA-N 0 0 428.945 5.251 50 0 IKAARN O=S(=O)(Cc1cc2c(c(Cl)c1)OCO2)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000089827621 569165251 /nfs/dbraw/zinc/16/52/51/569165251.db2.gz GGVSOLUXKDARRZ-NRFANRHFSA-N 0 0 435.328 5.427 50 0 IKAARN CC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016890366 569165430 /nfs/dbraw/zinc/16/54/30/569165430.db2.gz ZTNDLJFFCQLILL-UHFFFAOYSA-N 0 0 447.585 5.111 50 0 IKAARN CC(=O)Nc1ccc2nc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)sc2c1 ZINC000016890522 569165443 /nfs/dbraw/zinc/16/54/43/569165443.db2.gz GTHYDWZUBZAQIX-UHFFFAOYSA-N 0 0 438.512 5.722 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000016890864 569165645 /nfs/dbraw/zinc/16/56/45/569165645.db2.gz UGZWZUIMCDQFOE-MRXNPFEDSA-N 0 0 430.460 5.100 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](CC)n2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 ZINC000016895647 569165740 /nfs/dbraw/zinc/16/57/40/569165740.db2.gz NURTWFMRKOKGTO-JOCHJYFZSA-N 0 0 445.588 5.894 50 0 IKAARN C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F ZINC000089894497 569166649 /nfs/dbraw/zinc/16/66/49/569166649.db2.gz POIVXTZYQARGFW-ACWOFJMJSA-N 0 0 445.403 5.552 50 0 IKAARN C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904491 569167072 /nfs/dbraw/zinc/16/70/72/569167072.db2.gz XVEQNRLOLYWCFS-NSHDSACASA-N 0 0 447.347 5.520 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccccn1 ZINC000016977317 569168836 /nfs/dbraw/zinc/16/88/36/569168836.db2.gz WQSVEFOSBWCKRH-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccccc1 ZINC000016977152 569168920 /nfs/dbraw/zinc/16/89/20/569168920.db2.gz AZVYIUZZESXDMW-UHFFFAOYSA-N 0 0 434.996 5.966 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3ccccc3)c2c1 ZINC000016977462 569168947 /nfs/dbraw/zinc/16/89/47/569168947.db2.gz VTOJMBXNEJOQSY-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C ZINC000017010242 569170239 /nfs/dbraw/zinc/17/02/39/569170239.db2.gz SQAWWPQLACDGFU-UHFFFAOYSA-N 0 0 440.590 5.067 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccccn1)C(=S)Nc1cc(C)cc(C)c1 ZINC000017010789 569170342 /nfs/dbraw/zinc/17/03/42/569170342.db2.gz PUWWDDDELRGVGR-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1 ZINC000017013569 569170578 /nfs/dbraw/zinc/17/05/78/569170578.db2.gz STBKTYXUBHYFAE-UHFFFAOYSA-N 0 0 443.482 5.672 50 0 IKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000017013948 569170766 /nfs/dbraw/zinc/17/07/66/569170766.db2.gz MEZRTRHYKDUFGE-UHFFFAOYSA-N 0 0 431.521 5.073 50 0 IKAARN Cc1ccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2cccc(Cl)c2)cc1 ZINC000017041806 569171487 /nfs/dbraw/zinc/17/14/87/569171487.db2.gz OHVVSFSYYLJFJA-UHFFFAOYSA-N 0 0 431.948 6.121 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)n2)cc1 ZINC000017042791 569171616 /nfs/dbraw/zinc/17/16/16/569171616.db2.gz IXSHMBXLBNSMPX-UHFFFAOYSA-N 0 0 443.938 6.486 50 0 IKAARN C[C@@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000037357135 569173166 /nfs/dbraw/zinc/17/31/66/569173166.db2.gz IOAMPPMPMJPSJA-MRXNPFEDSA-N 0 0 446.448 5.138 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@H]1C ZINC000037357352 569173894 /nfs/dbraw/zinc/17/38/94/569173894.db2.gz AZNCSIBMUABXKD-MRXNPFEDSA-N 0 0 434.943 5.069 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000017112864 569174003 /nfs/dbraw/zinc/17/40/03/569174003.db2.gz FONDDYOHZIMFOA-OAQYLSRUSA-N 0 0 445.968 5.176 50 0 IKAARN CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2 ZINC000017113005 569174007 /nfs/dbraw/zinc/17/40/07/569174007.db2.gz UUYLNWRGKFRVQH-UHFFFAOYSA-N 0 0 447.629 6.178 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000017112861 569174027 /nfs/dbraw/zinc/17/40/27/569174027.db2.gz FONDDYOHZIMFOA-NRFANRHFSA-N 0 0 445.968 5.176 50 0 IKAARN CC(C)(C)c1csc(NC(=O)c2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)s2)n1 ZINC000017112947 569174170 /nfs/dbraw/zinc/17/41/70/569174170.db2.gz OFPIOQVBRZZBIB-UHFFFAOYSA-N 0 0 448.639 5.761 50 0 IKAARN Cc1cccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2cccc(Cl)c2)c1 ZINC000017123025 569174238 /nfs/dbraw/zinc/17/42/38/569174238.db2.gz YMXOBAAXNHSYNT-UHFFFAOYSA-N 0 0 431.948 6.121 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(C)c1C ZINC000017121911 569174247 /nfs/dbraw/zinc/17/42/47/569174247.db2.gz CINCTAKGYGXQIO-UHFFFAOYSA-N 0 0 442.632 6.238 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(C)cc21)Cc1ccccn1 ZINC000017121919 569174258 /nfs/dbraw/zinc/17/42/58/569174258.db2.gz SVPSOCRTPPHWRE-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(Cl)cc1 ZINC000017121944 569174270 /nfs/dbraw/zinc/17/42/70/569174270.db2.gz WDHFAKQRLGNYIQ-UHFFFAOYSA-N 0 0 437.996 6.473 50 0 IKAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000017121217 569174274 /nfs/dbraw/zinc/17/42/74/569174274.db2.gz ZFJDVAGMAWTJRW-UHFFFAOYSA-N 0 0 432.483 5.581 50 0 IKAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)ccc1OCc1ccc(C)cc1 ZINC000008952525 569174584 /nfs/dbraw/zinc/17/45/84/569174584.db2.gz VKPXDEURLYMLPJ-INIZCTEOSA-N 0 0 446.572 5.672 50 0 IKAARN CC(=O)N(c1nc(/C=C\C(=O)N2CCCc3cc(F)cc(F)c32)cs1)c1ccccc1 ZINC000213553779 569174727 /nfs/dbraw/zinc/17/47/27/569174727.db2.gz QHTXYIIOEIUQGK-KTKRTIGZSA-N 0 0 439.487 5.099 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000017155599 569175006 /nfs/dbraw/zinc/17/50/06/569175006.db2.gz CWUBJYFYHRHQBO-UHFFFAOYSA-N 0 0 446.315 5.023 50 0 IKAARN CC(C)CNc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2ccc(Cl)cc2)n1 ZINC000037357823 569175116 /nfs/dbraw/zinc/17/51/16/569175116.db2.gz ZSLBBGMNYJZSNC-UHFFFAOYSA-N 0 0 427.339 5.439 50 0 IKAARN O=c1c2ccccc2nc(SCc2nc(-c3cccs3)no2)n1CCc1ccccc1 ZINC000017179065 569175621 /nfs/dbraw/zinc/17/56/21/569175621.db2.gz JQKDAAGOQSHCHN-UHFFFAOYSA-N 0 0 446.557 5.043 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2)C1CC1 ZINC000017179122 569175682 /nfs/dbraw/zinc/17/56/82/569175682.db2.gz LRKSGCMRGRGHTF-UHFFFAOYSA-N 0 0 445.613 5.932 50 0 IKAARN Fc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200429 569175871 /nfs/dbraw/zinc/17/58/71/569175871.db2.gz PPARDVRLBQPJAE-UHFFFAOYSA-N 0 0 428.515 6.001 50 0 IKAARN CCN(C(=O)CSc1nc(C(F)(F)F)nc2ccccc21)c1nc2ccccc2s1 ZINC000017219079 569176171 /nfs/dbraw/zinc/17/61/71/569176171.db2.gz SMBQFJRORNXFGZ-UHFFFAOYSA-N 0 0 448.495 5.404 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000937765 569176404 /nfs/dbraw/zinc/17/64/04/569176404.db2.gz HJOUPIXGNPZFQH-MRXNPFEDSA-N 0 0 438.911 5.397 50 0 IKAARN COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1Cl ZINC000000954902 569176435 /nfs/dbraw/zinc/17/64/35/569176435.db2.gz JRRHXJSSFMKKTI-UHFFFAOYSA-N 0 0 438.911 5.235 50 0 IKAARN CC(=O)Nc1cc(C(=O)OCc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)ccc1C ZINC000001050835 569176451 /nfs/dbraw/zinc/17/64/51/569176451.db2.gz VYJCQTXXBKZREE-UHFFFAOYSA-N 0 0 437.879 5.183 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000001063497 569176578 /nfs/dbraw/zinc/17/65/78/569176578.db2.gz HXYSBNBJZCRUDQ-UHFFFAOYSA-N 0 0 437.874 5.855 50 0 IKAARN CC[C@H](C(=O)NCc1ccc(CNC(=O)[C@@H](CC)c2ccccc2)cc1)c1ccccc1 ZINC000001113265 569176712 /nfs/dbraw/zinc/17/67/12/569176712.db2.gz UTTPTXKXMBIPQN-UIOOFZCWSA-N 0 0 428.576 5.307 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc(-n2cnnc2)ccc1Cl ZINC000001078639 569176714 /nfs/dbraw/zinc/17/67/14/569176714.db2.gz YGWBCMRVKZPCLA-UHFFFAOYSA-N 0 0 433.830 5.120 50 0 IKAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Br)o1 ZINC000001076031 569176720 /nfs/dbraw/zinc/17/67/20/569176720.db2.gz RVEFOFGJIGFKHH-UHFFFAOYSA-N 0 0 444.668 5.721 50 0 IKAARN O=C(OCc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000001118039 569176734 /nfs/dbraw/zinc/17/67/34/569176734.db2.gz AKARHOGYXHAONA-UHFFFAOYSA-N 0 0 426.255 5.151 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000001122315 569176836 /nfs/dbraw/zinc/17/68/36/569176836.db2.gz KHVIFJYYUVKQDB-UHFFFAOYSA-N 0 0 442.696 6.004 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)c(C)c1 ZINC000002074096 569176992 /nfs/dbraw/zinc/17/69/92/569176992.db2.gz XSYTYFSDWHJYBI-UHFFFAOYSA-N 0 0 433.964 6.298 50 0 IKAARN CC(C)(C)c1ccc(CSc2nnc(COc3ccc(Br)cc3)o2)cc1 ZINC000002073173 569176993 /nfs/dbraw/zinc/17/69/93/569176993.db2.gz UMJOHNULHSLDLA-UHFFFAOYSA-N 0 0 433.371 6.001 50 0 IKAARN CC(C)(C)n1nc2nc(N3CCCC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037359067 569176996 /nfs/dbraw/zinc/17/69/96/569176996.db2.gz CCMSRDFAKXBWDW-UHFFFAOYSA-N 0 0 428.540 5.223 50 0 IKAARN Nc1c2c(nn1-c1ccccc1Cl)nc(NCC1CC1)nc2-c1cccc(Cl)c1 ZINC000037359463 569177214 /nfs/dbraw/zinc/17/72/14/569177214.db2.gz LZXWJAPWYZXRBI-UHFFFAOYSA-N 0 0 425.323 5.193 50 0 IKAARN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000002871295 569177485 /nfs/dbraw/zinc/17/74/85/569177485.db2.gz IBCJMCYXJQCQKH-UHFFFAOYSA-N 0 0 432.564 5.894 50 0 IKAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccccc4)n3-c3cccc(C)c3)n2)cc1 ZINC000002873057 569177589 /nfs/dbraw/zinc/17/75/89/569177589.db2.gz GRVZLVWGUJQZJL-UHFFFAOYSA-N 0 0 439.544 5.893 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(C(=O)N(C3CCCCC3)C3CCCCC3)c2)cc1 ZINC000002872331 569177603 /nfs/dbraw/zinc/17/76/03/569177603.db2.gz QGKPPWHBPPWDJT-UHFFFAOYSA-N 0 0 434.580 6.055 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1I ZINC000002872089 569177607 /nfs/dbraw/zinc/17/76/07/569177607.db2.gz OFBQOYCMJLLLAN-UHFFFAOYSA-N 0 0 449.675 5.989 50 0 IKAARN Cc1cc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)ccc1Br ZINC000027521107 569218351 /nfs/dbraw/zinc/21/83/51/569218351.db2.gz AXJOQEATMRFVRS-MRXNPFEDSA-N 0 0 427.161 5.299 50 0 IKAARN Cc1cccc(C2=N/C(=C/c3ccccc3OCc3ccccc3Br)C(=O)O2)c1 ZINC000002084818 569178333 /nfs/dbraw/zinc/17/83/33/569178333.db2.gz OWOPXWVYODPYRO-KGENOOAVSA-N 0 0 448.316 5.681 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000006973391 569178546 /nfs/dbraw/zinc/17/85/46/569178546.db2.gz MSPMMWWNSXFDOF-FYYLOGMGSA-N 0 0 435.321 5.700 50 0 IKAARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)/C(=C\c1ccccc1)c1ccccc1 ZINC000002091234 569178685 /nfs/dbraw/zinc/17/86/85/569178685.db2.gz QXZUOQZRHFSFLN-STZFKDTASA-N 0 0 448.353 6.418 50 0 IKAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)c12 ZINC000002091929 569178794 /nfs/dbraw/zinc/17/87/94/569178794.db2.gz IHXZIZYQNSLXMC-UHFFFAOYSA-N 0 0 447.531 5.514 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C)CCc4ccccc4)c(C)c3cc2c1C ZINC000002093616 569178986 /nfs/dbraw/zinc/17/89/86/569178986.db2.gz VNXNSRWALLQOBQ-MRXNPFEDSA-N 0 0 431.532 5.535 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)c12 ZINC000002096065 569179177 /nfs/dbraw/zinc/17/91/77/569179177.db2.gz DCLXQSNZWRZPHU-QGZVFWFLSA-N 0 0 431.529 5.043 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)c12 ZINC000002096067 569179189 /nfs/dbraw/zinc/17/91/89/569179189.db2.gz DCLXQSNZWRZPHU-KRWDZBQOSA-N 0 0 431.529 5.043 50 0 biogenic IKAARN CCCCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 ZINC000002096228 569179300 /nfs/dbraw/zinc/17/93/00/569179300.db2.gz XNCIDKBNYUYDTE-UHFFFAOYSA-N 0 0 433.504 5.906 50 0 biogenic IKAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=O)N32)cc1 ZINC000002097984 569179435 /nfs/dbraw/zinc/17/94/35/569179435.db2.gz JUKJYYXSCZQVDF-AZGAKELHSA-N 0 0 441.575 5.902 50 0 biogenic IKAARN CC(C)=CCCC1=CC[C@H](C2OCC3(CC=C(CCC=C(C)C)C[C@@H]3C)CO2)[C@@H](C)C1 ZINC000002097851 569179446 /nfs/dbraw/zinc/17/94/46/569179446.db2.gz MFGNVTISQZYJEE-UBEZEKPPSA-N 0 0 426.685 8.167 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000002103598 569179948 /nfs/dbraw/zinc/17/99/48/569179948.db2.gz PLUQASJCMFNBDS-NTEUORMPSA-N 0 0 426.468 5.704 50 0 biogenic IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000002079519 569180105 /nfs/dbraw/zinc/18/01/05/569180105.db2.gz FRCFZMDWJOANMT-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN Cc1ccc(-n2c(SC[C@H]3CCCCO3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002395055 569180125 /nfs/dbraw/zinc/18/01/25/569180125.db2.gz FCPMTWDBBZKLAU-QGZVFWFLSA-N 0 0 426.607 5.296 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000002390680 569180126 /nfs/dbraw/zinc/18/01/26/569180126.db2.gz BKWPIWPSOKOFTB-UHFFFAOYSA-N 0 0 449.967 5.276 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21)c1ccccc1 ZINC000002312790 569180155 /nfs/dbraw/zinc/18/01/55/569180155.db2.gz JMIJHWYXBKGSDO-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)/C=C/c3ccccc3)ccc2oc1-c1ccc(OC)cc1 ZINC000002104843 569180262 /nfs/dbraw/zinc/18/02/62/569180262.db2.gz DUARGBWRBLJBRO-CXUHLZMHSA-N 0 0 442.467 5.904 50 0 biogenic IKAARN O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000863686 569180353 /nfs/dbraw/zinc/18/03/53/569180353.db2.gz CVJSYKFOAHXUFC-UHFFFAOYSA-N 0 0 436.924 5.024 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000000638178 569180367 /nfs/dbraw/zinc/18/03/67/569180367.db2.gz DWPXVRNTXHVQOB-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1NC(=O)c1cc(Cl)ccc1OC ZINC000001112755 569180463 /nfs/dbraw/zinc/18/04/63/569180463.db2.gz NAMLCWROXGLFGP-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN COc1cccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c1 ZINC000001784365 569180541 /nfs/dbraw/zinc/18/05/41/569180541.db2.gz OQZGCLVGEZDUQW-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 ZINC000001474814 569180543 /nfs/dbraw/zinc/18/05/43/569180543.db2.gz AYIVYBYTVLILBK-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc32)cc1 ZINC000002079390 569180544 /nfs/dbraw/zinc/18/05/44/569180544.db2.gz ZMMKNUUAYMQHOU-UHFFFAOYSA-N 0 0 437.539 6.627 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000001239207 569180564 /nfs/dbraw/zinc/18/05/64/569180564.db2.gz WYEDEVULWCUQMY-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN COc1ccc(-n2c(SCc3cccc(C)c3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000001814831 569180582 /nfs/dbraw/zinc/18/05/82/569180582.db2.gz DWLQOJOKOGUORB-UHFFFAOYSA-N 0 0 448.613 5.935 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nc3ccccc3c2=O)cc1 ZINC000001296854 569180595 /nfs/dbraw/zinc/18/05/95/569180595.db2.gz KCBJVPQXCMDZQI-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000001824712 569180598 /nfs/dbraw/zinc/18/05/98/569180598.db2.gz NRWPPQXCUHCHKX-UHFFFAOYSA-N 0 0 447.774 6.638 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccncc2)cc1 ZINC000001474827 569180612 /nfs/dbraw/zinc/18/06/12/569180612.db2.gz FXGCJIQDFLTQCC-UHFFFAOYSA-N 0 0 443.576 5.492 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1-c1ccc(Cl)cc1 ZINC000002262837 569180655 /nfs/dbraw/zinc/18/06/55/569180655.db2.gz LTAZANLZURRCNL-UHFFFAOYSA-N 0 0 446.881 6.350 50 0 IKAARN Cc1cccc2c(C(=O)O[C@H](C)C(=O)c3ccccc3)cc(-c3ccc(Cl)cc3)nc12 ZINC000002079429 569180661 /nfs/dbraw/zinc/18/06/61/569180661.db2.gz DPVRGXNAALMFPA-QGZVFWFLSA-N 0 0 429.903 6.292 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Cl)cc32)cc1 ZINC000002079492 569180666 /nfs/dbraw/zinc/18/06/66/569180666.db2.gz NNMCQRGUAQKHAP-GOSISDBHSA-N 0 0 443.930 6.600 50 0 IKAARN CC(C)c1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000002284969 569180677 /nfs/dbraw/zinc/18/06/77/569180677.db2.gz YLLMRPVAYZTJRA-UHFFFAOYSA-N 0 0 443.930 6.718 50 0 IKAARN CC[C@H](OC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc21)C(=O)c1ccccc1 ZINC000002079482 569180692 /nfs/dbraw/zinc/18/06/92/569180692.db2.gz MNKLMDLWBXANIZ-SANMLTNESA-N 0 0 439.511 6.037 50 0 IKAARN COc1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccc(Cl)cc2)cc1 ZINC000002369741 569180811 /nfs/dbraw/zinc/18/08/11/569180811.db2.gz PFDYMEFFOWKUOK-UHFFFAOYSA-N 0 0 443.906 6.167 50 0 IKAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c1 ZINC000002508602 569180915 /nfs/dbraw/zinc/18/09/15/569180915.db2.gz NQZGSWREWJTOJX-UHFFFAOYSA-N 0 0 437.362 5.749 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000009216532 569181036 /nfs/dbraw/zinc/18/10/36/569181036.db2.gz NAAKUXWEAANKQZ-LADGPHEKSA-N 0 0 439.342 6.553 50 0 IKAARN Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 ZINC000002107234 569181157 /nfs/dbraw/zinc/18/11/57/569181157.db2.gz XAVGHIKSQMCTKH-UHFFFAOYSA-N 0 0 447.899 6.251 50 0 IKAARN C=Cc1ccc(COc2cc3c(cc2Br)oc(C)c3C(=O)OCCOC)cc1 ZINC000002106817 569181227 /nfs/dbraw/zinc/18/12/27/569181227.db2.gz LCMXTLABWRPPQE-UHFFFAOYSA-N 0 0 445.309 5.529 50 0 biogenic IKAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1cccc(F)c1)nc2-c1ccccc1F ZINC000037360137 569181432 /nfs/dbraw/zinc/18/14/32/569181432.db2.gz YQPCSSKGJMVFJA-UHFFFAOYSA-N 0 0 442.473 5.014 50 0 IKAARN CC(C)c1ccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002112503 569182080 /nfs/dbraw/zinc/18/20/80/569182080.db2.gz CSSSAVOCTJPTEH-UHFFFAOYSA-N 0 0 447.582 6.869 50 0 biogenic IKAARN COc1ccccc1-c1nc(C(=O)NCc2ccc(F)cc2)cc2c3ccccc3[nH]c21 ZINC000002112890 569182195 /nfs/dbraw/zinc/18/21/95/569182195.db2.gz PAHFSTZCOSDDKR-UHFFFAOYSA-N 0 0 425.463 5.461 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3cccc(OC)c3)n2)cc1 ZINC000002115393 569182425 /nfs/dbraw/zinc/18/24/25/569182425.db2.gz ZYWJNXSHTHDOJX-UHFFFAOYSA-N 0 0 437.499 5.330 50 0 biogenic IKAARN Cc1cc(C)cc(COc2ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc3c2C)c1 ZINC000002115916 569182427 /nfs/dbraw/zinc/18/24/27/569182427.db2.gz OSKMVTLEMHOLSN-UHFFFAOYSA-N 0 0 438.479 6.071 50 0 biogenic IKAARN CSC1=N[C@H](SCC(=O)N[C@@H](C)Cc2ccccc2)c2c3c(sc2N1)CCCC3 ZINC000002117780 569182547 /nfs/dbraw/zinc/18/25/47/569182547.db2.gz CICZKHRHCRHJSN-VBKZILBWSA-N 0 0 445.679 5.060 50 0 IKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccccc3Cl)n2)cc1 ZINC000002117512 569182554 /nfs/dbraw/zinc/18/25/54/569182554.db2.gz REQXHPHHKHUFMX-UHFFFAOYSA-N 0 0 441.918 5.975 50 0 biogenic IKAARN CC(=O)Oc1ccc2c(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cc(=O)oc2c1C ZINC000002117777 569182558 /nfs/dbraw/zinc/18/25/58/569182558.db2.gz GRDFOTFWUIDRIS-UHFFFAOYSA-N 0 0 431.227 5.107 50 0 biogenic IKAARN Cc1ccc(C)c(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c1 ZINC000002118976 569182682 /nfs/dbraw/zinc/18/26/82/569182682.db2.gz PZTJCFWUMHVXEY-UHFFFAOYSA-N 0 0 425.528 5.974 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc(Cl)c3)cc2o1 ZINC000002119961 569182773 /nfs/dbraw/zinc/18/27/73/569182773.db2.gz AYEYGENNPKWJEM-UHFFFAOYSA-N 0 0 430.843 5.799 50 0 biogenic IKAARN COc1ccc(-c2c3cc4c5c(c(=O)oc4cc3oc2-c2ccccc2)CCC5)cc1F ZINC000002119238 569182833 /nfs/dbraw/zinc/18/28/33/569182833.db2.gz ASDNJHPQGKGOHE-UHFFFAOYSA-N 0 0 426.443 6.510 50 0 biogenic IKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)c(C)c2oc1=O ZINC000002119230 569182857 /nfs/dbraw/zinc/18/28/57/569182857.db2.gz PTXHISMIBWWFET-UHFFFAOYSA-N 0 0 426.940 6.448 50 0 biogenic IKAARN Cc1ccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c(C)c1 ZINC000002119536 569182860 /nfs/dbraw/zinc/18/28/60/569182860.db2.gz LIOHADHOPVUUGY-UHFFFAOYSA-N 0 0 425.528 5.974 50 0 biogenic IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000014850621 569182970 /nfs/dbraw/zinc/18/29/70/569182970.db2.gz OJQVBRSYWQYGHJ-UHFFFAOYSA-N 0 0 435.318 5.493 50 0 IKAARN CC(=O)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254746229 569183426 /nfs/dbraw/zinc/18/34/26/569183426.db2.gz XRPYRCCVSZYAQT-ZPVFDEIFSA-N 0 0 428.657 6.893 50 0 IKAARN CCOc1ccc(-c2nc(C(=O)NC3CCCCC3)cc3c4ccccc4[nH]c32)cc1OC ZINC000002121157 569183428 /nfs/dbraw/zinc/18/34/28/569183428.db2.gz WFVCCDNZSAOKJZ-UHFFFAOYSA-N 0 0 443.547 5.853 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(C)c2C)CO4)cc1 ZINC000002120667 569183457 /nfs/dbraw/zinc/18/34/57/569183457.db2.gz BXIHGMIQVZIKBR-UHFFFAOYSA-N 0 0 427.500 5.750 50 0 biogenic IKAARN Cc1c2occ(-c3ccc(Br)cc3)c2cc2c(-c3ccccc3)cc(=O)oc12 ZINC000002121275 569183544 /nfs/dbraw/zinc/18/35/44/569183544.db2.gz MVSQKTWQMHBQEK-UHFFFAOYSA-N 0 0 431.285 6.944 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)c(C)c2)CO4)cc1 ZINC000002122765 569183562 /nfs/dbraw/zinc/18/35/62/569183562.db2.gz ZFTLSEUDMSKIJD-UHFFFAOYSA-N 0 0 427.500 5.750 50 0 biogenic IKAARN CCCCc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000002122859 569183577 /nfs/dbraw/zinc/18/35/77/569183577.db2.gz PLVFNRCPDXEHBH-UHFFFAOYSA-N 0 0 425.528 6.468 50 0 biogenic IKAARN COc1cccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c1 ZINC000002123248 569183692 /nfs/dbraw/zinc/18/36/92/569183692.db2.gz IKUYWKIHGQTCEW-UHFFFAOYSA-N 0 0 427.500 5.366 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(Oc3ccccc3)cc2)CO1 ZINC000002123433 569183698 /nfs/dbraw/zinc/18/36/98/569183698.db2.gz YZKZGURFAQDDBV-UHFFFAOYSA-N 0 0 427.500 6.284 50 0 biogenic IKAARN Cc1c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc(=O)c1Cc1ccccc1 ZINC000002126683 569184049 /nfs/dbraw/zinc/18/40/49/569184049.db2.gz SXSOHLAOGLNKGC-UHFFFAOYSA-N 0 0 434.491 6.107 50 0 biogenic IKAARN Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1 ZINC000252458360 569184449 /nfs/dbraw/zinc/18/44/49/569184449.db2.gz BYLVTWNOBYXDAI-UHFFFAOYSA-N 0 0 441.332 6.592 50 0 IKAARN COc1cc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc(OC)c1OC ZINC000002133843 569185026 /nfs/dbraw/zinc/18/50/26/569185026.db2.gz YBBXHYGSKLVYFW-UHFFFAOYSA-N 0 0 432.472 5.373 50 0 biogenic IKAARN O=C(NCc1cccs1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002137618 569185153 /nfs/dbraw/zinc/18/51/53/569185153.db2.gz XGIQHJOINUKDGP-UHFFFAOYSA-N 0 0 427.485 5.103 50 0 biogenic IKAARN CCCCCCc1c(C)c2ccc(OCc3cc(OC)c(OC)c(OC)c3)cc2oc1=O ZINC000002134246 569185200 /nfs/dbraw/zinc/18/52/00/569185200.db2.gz FAKFLVVQEVFLPO-UHFFFAOYSA-N 0 0 440.536 5.829 50 0 biogenic IKAARN CCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000002138904 569185364 /nfs/dbraw/zinc/18/53/64/569185364.db2.gz DDGXZSMULMYAAK-ZJYVBTJHSA-N 0 0 448.607 5.600 50 0 biogenic IKAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCc1cccs1)nc2-c1cccc(F)c1 ZINC000037375827 569185473 /nfs/dbraw/zinc/18/54/73/569185473.db2.gz GRBKNUVDFUKOED-UHFFFAOYSA-N 0 0 448.502 5.059 50 0 IKAARN c1ccc2c(c1)c1ccccc1n2CCOCCOCCn1c2ccccc2c2ccccc21 ZINC000002699750 569185989 /nfs/dbraw/zinc/18/59/89/569185989.db2.gz LVCZILYXTJVWLG-UHFFFAOYSA-N 0 0 448.566 6.636 50 0 IKAARN COC(=O)c1cc2c(c(OCc3ccccc3)c1)OC(c1ccccc1)(c1ccccc1)O2 ZINC000003122036 569186183 /nfs/dbraw/zinc/18/61/83/569186183.db2.gz XBYWPCSIYNUOAF-UHFFFAOYSA-N 0 0 438.479 5.725 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C(C)C ZINC000252480090 569186333 /nfs/dbraw/zinc/18/63/33/569186333.db2.gz BUSNQFFAYNOQKT-UHFFFAOYSA-N 0 0 446.576 5.320 50 0 IKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc43)cc2oc1=O ZINC000002147010 569186908 /nfs/dbraw/zinc/18/69/08/569186908.db2.gz QNACBQBXGPLLQG-UHFFFAOYSA-N 0 0 445.559 6.286 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c12 ZINC000002147105 569186972 /nfs/dbraw/zinc/18/69/72/569186972.db2.gz DMYOJOWLPWKKLJ-SFHVURJKSA-N 0 0 445.556 5.289 50 0 biogenic IKAARN CCOC(=O)c1c2cc(OCc3cc(=O)oc4cc(C)cc(C)c34)ccc2oc1C(C)(C)C ZINC000002147683 569186999 /nfs/dbraw/zinc/18/69/99/569186999.db2.gz DVFXYQINIACRAI-UHFFFAOYSA-N 0 0 448.515 6.209 50 0 biogenic IKAARN CC(C)Oc1ccc(CNC(=O)C[C@@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 ZINC000002147131 569187016 /nfs/dbraw/zinc/18/70/16/569187016.db2.gz QFXXLWVIGVAWMX-VWLOTQADSA-N 0 0 429.988 5.661 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cccc(C(F)(F)F)c4)c(C)c3cc2c1C ZINC000002149738 569187178 /nfs/dbraw/zinc/18/71/78/569187178.db2.gz WDGAHJBBQZQITM-UHFFFAOYSA-N 0 0 443.421 6.055 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)ccc12 ZINC000002149849 569187185 /nfs/dbraw/zinc/18/71/85/569187185.db2.gz SGHAGIXXWWCYHU-GOSISDBHSA-N 0 0 431.529 5.043 50 0 biogenic IKAARN CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)c(C)c2oc1=O ZINC000002150098 569187192 /nfs/dbraw/zinc/18/71/92/569187192.db2.gz OTGPIQPHXFBQOH-UHFFFAOYSA-N 0 0 433.504 5.043 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)ccc12 ZINC000002149852 569187209 /nfs/dbraw/zinc/18/72/09/569187209.db2.gz SGHAGIXXWWCYHU-SFHVURJKSA-N 0 0 431.529 5.043 50 0 biogenic IKAARN COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCc5ccccc5)ccc34)c(=O)oc21 ZINC000002159212 569187679 /nfs/dbraw/zinc/18/76/79/569187679.db2.gz MFCGFTXDJVVYHJ-UHFFFAOYSA-N 0 0 440.451 5.462 50 0 biogenic IKAARN O=C(Nc1cc(Cl)ccc1Cl)N1[C@@H]2CCCC[C@H]2C[C@H]1c1nc2ccccc2[nH]1 ZINC000252507075 569188226 /nfs/dbraw/zinc/18/82/26/569188226.db2.gz XJAUPAVSHOPCHG-SVIJTADQSA-N 0 0 429.351 6.407 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)cc1C ZINC000252510495 569188597 /nfs/dbraw/zinc/18/85/97/569188597.db2.gz ZMBKUFLQEMHYLC-UHFFFAOYSA-N 0 0 444.560 5.074 50 0 IKAARN CN(Cc1cccnc1)c1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000252512478 569188921 /nfs/dbraw/zinc/18/89/21/569188921.db2.gz RCESRQWQGZHGCY-PGWJBFNOSA-N 0 0 448.010 6.170 50 0 IKAARN COc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccccc5)ccc43)c(=O)oc21 ZINC000002160262 569188957 /nfs/dbraw/zinc/18/89/57/569188957.db2.gz FYIQHJNUEFTWIZ-UHFFFAOYSA-N 0 0 426.424 5.154 50 0 biogenic IKAARN COc1cccc(-c2nc(C(=O)NCCc3ccccc3F)cc3c4ccccc4[nH]c32)c1 ZINC000002160393 569189026 /nfs/dbraw/zinc/18/90/26/569189026.db2.gz HWKBGIYTPSFWIH-UHFFFAOYSA-N 0 0 439.490 5.503 50 0 biogenic IKAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(C(C)C)cc1)c1ccc(Br)cc1 ZINC000002176546 569190309 /nfs/dbraw/zinc/19/03/09/569190309.db2.gz PUNOOTOFSMFHJL-HXUWFJFHSA-N 0 0 440.318 6.949 50 0 IKAARN Cc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCc2ccc(F)cc2)cc1 ZINC000252539902 569190322 /nfs/dbraw/zinc/19/03/22/569190322.db2.gz OQVUKRQFTYIHRQ-UHFFFAOYSA-N 0 0 441.531 6.121 50 0 IKAARN Cc1nnc(Sc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(C)c(C)c3)n2)s1 ZINC000002185918 569190483 /nfs/dbraw/zinc/19/04/83/569190483.db2.gz ZJKRMBZTFBTGHH-UHFFFAOYSA-N 0 0 449.609 5.904 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002189103 569190493 /nfs/dbraw/zinc/19/04/93/569190493.db2.gz VFHCOMWOUPJLTG-KGENOOAVSA-N 0 0 433.891 5.662 50 0 IKAARN C[C@@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000002192037 569190527 /nfs/dbraw/zinc/19/05/27/569190527.db2.gz IXVKRBKFCNWEOQ-LLVKDONJSA-N 0 0 446.306 6.038 50 0 IKAARN Cc1ccc(NCc2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccccc2C)cc1 ZINC000002191444 569190568 /nfs/dbraw/zinc/19/05/68/569190568.db2.gz RYXNQVHDQHCAMD-UHFFFAOYSA-N 0 0 442.588 5.780 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2ccc(OCC)c(OCC)c2)sc2c1CCCCC2 ZINC000002192740 569190826 /nfs/dbraw/zinc/19/08/26/569190826.db2.gz SGVGPPQRZWNVST-UHFFFAOYSA-N 0 0 445.581 5.172 50 0 IKAARN O=c1c(Cl)c(N2CCCC[C@H]2c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000252569072 569191082 /nfs/dbraw/zinc/19/10/82/569191082.db2.gz VWXSIACNOQOXEB-INIZCTEOSA-N 0 0 434.849 5.031 50 0 IKAARN Cc1cccc(NC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc32)c1 ZINC000002199376 569191531 /nfs/dbraw/zinc/19/15/31/569191531.db2.gz BBCTVPUGQUDTEM-UHFFFAOYSA-N 0 0 427.895 5.370 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000037380308 569191560 /nfs/dbraw/zinc/19/15/60/569191560.db2.gz FLHTWRJAZWZLLO-PXAZEXFGSA-N 0 0 437.849 5.926 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccccc2F)c(-c2ccccc2)c1=O ZINC000002200101 569191615 /nfs/dbraw/zinc/19/16/15/569191615.db2.gz GOYPVSYKNGHHML-UHFFFAOYSA-N 0 0 433.870 5.253 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000002200046 569191655 /nfs/dbraw/zinc/19/16/55/569191655.db2.gz BGDBEKLMQTUJOF-DEOSSOPVSA-N 0 0 439.511 5.206 50 0 IKAARN Cn1cc([C@H](CC(=O)NCc2ccccc2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000037381669 569191850 /nfs/dbraw/zinc/19/18/50/569191850.db2.gz VIXIUYOJTGYJTG-JOCHJYFZSA-N 0 0 436.477 6.036 50 0 IKAARN Cc1ccccc1NC(=O)NCCNc1nc(-c2cccs2)nc2cc(Cl)ccc21 ZINC000037382345 569191881 /nfs/dbraw/zinc/19/18/81/569191881.db2.gz FZFYQVUJPCDRMP-UHFFFAOYSA-N 0 0 437.956 5.554 50 0 IKAARN CC[C@@H](C)N(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccc(C)cc1 ZINC000037381351 569191885 /nfs/dbraw/zinc/19/18/85/569191885.db2.gz SJPHPNKMTPPTEL-MRXNPFEDSA-N 0 0 442.357 5.291 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)cc1 ZINC000037382403 569191891 /nfs/dbraw/zinc/19/18/91/569191891.db2.gz VTTCWQIVOYXGJD-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3nc(-c4cccs4)nc4cc(Cl)ccc43)CC2)cc1 ZINC000037382396 569191902 /nfs/dbraw/zinc/19/19/02/569191902.db2.gz VTOAJFRYMZQCNM-UHFFFAOYSA-N 0 0 448.979 5.283 50 0 IKAARN O=C(c1ccccc1)N(CCc1nc(-c2cccc(Cl)c2)no1)CCc1ccccc1 ZINC000037381271 569191910 /nfs/dbraw/zinc/19/19/10/569191910.db2.gz FGSXKBWYRYEFMB-UHFFFAOYSA-N 0 0 431.923 5.318 50 0 IKAARN COc1cccc(CN2c3ccccc3S/C(=C/C(=O)NC(C(C)C)C(C)C)C2=O)c1 ZINC000037381967 569191932 /nfs/dbraw/zinc/19/19/32/569191932.db2.gz BMEBPBJBKGJKMT-HYARGMPZSA-N 0 0 438.593 5.015 50 0 IKAARN O=C(NCCNc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000037383209 569191987 /nfs/dbraw/zinc/19/19/87/569191987.db2.gz CDDCCDZKMBORHS-UHFFFAOYSA-N 0 0 438.865 5.070 50 0 IKAARN CC[C@@H](C)NC(=O)CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383114 569192008 /nfs/dbraw/zinc/19/20/08/569192008.db2.gz ILPFWRAOLIKWOA-HXUWFJFHSA-N 0 0 442.563 5.244 50 0 IKAARN CC[C@@H](C)NC(=O)CCN(Cc1ccco1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037383508 569192041 /nfs/dbraw/zinc/19/20/41/569192041.db2.gz SPOUTTATZRZHMR-QGZVFWFLSA-N 0 0 434.565 5.263 50 0 IKAARN CC(C)NC(=O)CCN(Cc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037384364 569192086 /nfs/dbraw/zinc/19/20/86/569192086.db2.gz IGDKMTYQXBYNOE-UHFFFAOYSA-N 0 0 448.954 5.465 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NCC(C)C)CCc2ccccc2)n1 ZINC000037384519 569192142 /nfs/dbraw/zinc/19/21/42/569192142.db2.gz PEMWWVORZBJTHL-UHFFFAOYSA-N 0 0 439.003 5.057 50 0 IKAARN CC[C@H](C)NC(=O)CCN(Cc1ccco1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037384042 569192146 /nfs/dbraw/zinc/19/21/46/569192146.db2.gz OXPLHDQTMVSVCX-SFHVURJKSA-N 0 0 446.526 5.340 50 0 IKAARN CC(C)N(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037384064 569192154 /nfs/dbraw/zinc/19/21/54/569192154.db2.gz IXZUBJCFZBBBKM-IBGZPJMESA-N 0 0 428.536 5.372 50 0 IKAARN CCCN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037384427 569192158 /nfs/dbraw/zinc/19/21/58/569192158.db2.gz NROSTWDESBDWIZ-LJQANCHMSA-N 0 0 428.536 5.374 50 0 IKAARN COc1cccc(NC(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccs3)c2)c1 ZINC000037384769 569192210 /nfs/dbraw/zinc/19/22/10/569192210.db2.gz LGVJWZCNUNFCTL-UHFFFAOYSA-N 0 0 449.536 5.436 50 0 IKAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037385149 569192356 /nfs/dbraw/zinc/19/23/56/569192356.db2.gz MHSIDTRHUZENSE-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)COc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NC(=O)C(C)C)c2)n1 ZINC000037385342 569192374 /nfs/dbraw/zinc/19/23/74/569192374.db2.gz MIKDLEBFEBZPIL-UHFFFAOYSA-N 0 0 446.473 5.582 50 0 IKAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000037385160 569192396 /nfs/dbraw/zinc/19/23/96/569192396.db2.gz VIQMHRJWQHIIKF-UHFFFAOYSA-N 0 0 442.397 5.197 50 0 IKAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000037385328 569192401 /nfs/dbraw/zinc/19/24/01/569192401.db2.gz IALLYXNEZBIHSM-UHFFFAOYSA-N 0 0 446.473 5.727 50 0 IKAARN C[C@@H](CCOc1c(F)c(F)nc(F)c1F)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002200980 569192489 /nfs/dbraw/zinc/19/24/89/569192489.db2.gz VINXLJKMEPXVHT-LBPRGKRZSA-N 0 0 427.482 6.511 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000002202675 569192687 /nfs/dbraw/zinc/19/26/87/569192687.db2.gz HKGZWCIDVYHJSV-UHFFFAOYSA-N 0 0 442.559 5.839 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)c(=O)oc2c1 ZINC000002202869 569192691 /nfs/dbraw/zinc/19/26/91/569192691.db2.gz IUUCZCRJXPDQRO-UHFFFAOYSA-N 0 0 436.533 5.447 50 0 IKAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000002202796 569192729 /nfs/dbraw/zinc/19/27/29/569192729.db2.gz CNRCZZUZMKBIEH-HNNXBMFYSA-N 0 0 439.965 5.310 50 0 IKAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(Br)cc3)c12 ZINC000002202852 569192731 /nfs/dbraw/zinc/19/27/31/569192731.db2.gz SKGWRGXVHFRRML-UHFFFAOYSA-N 0 0 429.310 5.468 50 0 IKAARN CCC[C@@H](C(=O)NCCc1ccccn1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037396844 569192935 /nfs/dbraw/zinc/19/29/35/569192935.db2.gz KVUXZZYIWSNZNM-DEOSSOPVSA-N 0 0 446.982 5.376 50 0 IKAARN C[C@H](C(=O)NCc1ccco1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037396911 569192948 /nfs/dbraw/zinc/19/29/48/569192948.db2.gz USZJYZBVRZJVDY-CQSZACIVSA-N 0 0 428.319 5.404 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C(=O)NCC(C)C)c3ccccc3)c2cc1C ZINC000037396981 569192952 /nfs/dbraw/zinc/19/29/52/569192952.db2.gz BZWXYFISSFVXNE-HHHXNRCGSA-N 0 0 443.566 5.745 50 0 IKAARN CCC[C@H](C(=O)NCCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037396937 569192982 /nfs/dbraw/zinc/19/29/82/569192982.db2.gz DWPZWWCZNKYVHS-XMMPIXPASA-N 0 0 446.982 5.376 50 0 IKAARN O=C(CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)NCc1cccnc1 ZINC000037397392 569193242 /nfs/dbraw/zinc/19/32/42/569193242.db2.gz ZUMLJWGFGSIJKH-UHFFFAOYSA-N 0 0 439.346 5.035 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n(CCC(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037397344 569193303 /nfs/dbraw/zinc/19/33/03/569193303.db2.gz DPWZTJJDSIHLGK-UHFFFAOYSA-N 0 0 433.502 5.229 50 0 IKAARN CCC[C@H](C(=O)NCCOC)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397256 569193395 /nfs/dbraw/zinc/19/33/95/569193395.db2.gz IGVMEKGWEOXGGM-HXUWFJFHSA-N 0 0 434.367 5.038 50 0 IKAARN COc1cccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)c2cccs2)c1 ZINC000002206993 569193490 /nfs/dbraw/zinc/19/34/90/569193490.db2.gz LLCMFEVWVXVKOF-UHFFFAOYSA-N 0 0 445.544 5.147 50 0 IKAARN CCC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037397654 569193706 /nfs/dbraw/zinc/19/37/06/569193706.db2.gz ZUKSUADYUDNOJE-QHCPKHFHSA-N 0 0 441.531 5.013 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398292 569193738 /nfs/dbraw/zinc/19/37/38/569193738.db2.gz QMDRXUDUSAUADE-HXUWFJFHSA-N 0 0 431.467 5.085 50 0 IKAARN CCOc1ccc(-c2csc(-c3cc4cc(Br)ccc4oc3=O)n2)cc1 ZINC000002207843 569193763 /nfs/dbraw/zinc/19/37/63/569193763.db2.gz ICERQQFTBLETRC-UHFFFAOYSA-N 0 0 428.307 5.745 50 0 IKAARN Cc1cc2nc(Cc3cccc(Cl)c3)n([C@H](C)C(=O)N(C)Cc3ccccc3)c2cc1C ZINC000037398202 569193781 /nfs/dbraw/zinc/19/37/81/569193781.db2.gz FCHRVAADHYGPRQ-HXUWFJFHSA-N 0 0 445.994 6.117 50 0 IKAARN CC[C@@H](C(=O)NCc1ccco1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398293 569193803 /nfs/dbraw/zinc/19/38/03/569193803.db2.gz RMAPGEUQKLCASY-QFIPXVFZSA-N 0 0 435.955 5.758 50 0 IKAARN CC[C@@H](C(=O)NCc1ccco1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398606 569193944 /nfs/dbraw/zinc/19/39/44/569193944.db2.gz MPPXMDVIQQYWFG-FQEVSTJZSA-N 0 0 442.346 5.794 50 0 IKAARN CC[C@@H](C(=O)NCc1ccco1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397974 569193948 /nfs/dbraw/zinc/19/39/48/569193948.db2.gz QTBKSTYRCWRBJW-FQEVSTJZSA-N 0 0 442.346 5.794 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)CO1 ZINC000002208296 569193950 /nfs/dbraw/zinc/19/39/50/569193950.db2.gz HCESPOOFZSIYOH-RUZDIDTESA-N 0 0 448.613 5.981 50 0 IKAARN CCC[C@@H](C(=O)NCCOC)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398025 569193963 /nfs/dbraw/zinc/19/39/63/569193963.db2.gz ZRSIPCGKUNWFDZ-NRFANRHFSA-N 0 0 427.976 5.001 50 0 IKAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)c1 ZINC000002209928 569194034 /nfs/dbraw/zinc/19/40/34/569194034.db2.gz CDDAXAAJMMVWSM-UHFFFAOYSA-N 0 0 429.476 5.120 50 0 IKAARN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n([C@H](C)C(=O)N3CCCC3)c2cc1C ZINC000037398861 569194164 /nfs/dbraw/zinc/19/41/64/569194164.db2.gz GNYUSQPAVJIMSW-MRXNPFEDSA-N 0 0 430.379 5.734 50 0 IKAARN COc1ccc(N2C(=O)[C@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@H]2/C=C\c2ccccc2)cc1 ZINC000252605182 569194388 /nfs/dbraw/zinc/19/43/88/569194388.db2.gz GHEBDNXVYPYCJK-QJUWDJKNSA-N 0 0 433.592 5.970 50 0 IKAARN C[C@H](CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000252606610 569194499 /nfs/dbraw/zinc/19/44/99/569194499.db2.gz GTTTUPHLIOHOKJ-JCRDMPBDSA-N 0 0 446.635 5.629 50 0 IKAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)CC(C)(C)C ZINC000037400964 569195032 /nfs/dbraw/zinc/19/50/32/569195032.db2.gz ULXZBODTUVFSIJ-SFHVURJKSA-N 0 0 447.597 5.026 50 0 IKAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1 ZINC000037426317 569195759 /nfs/dbraw/zinc/19/57/59/569195759.db2.gz YXJYDZGNHQOTRT-OAHLLOKOSA-N 0 0 440.956 5.031 50 0 IKAARN CCCCNc1nc(C(=O)N(CCC(=O)Nc2ccccc2)Cc2ccccc2)cs1 ZINC000037426298 569195806 /nfs/dbraw/zinc/19/58/06/569195806.db2.gz NDMODERFFAOIQF-UHFFFAOYSA-N 0 0 436.581 5.026 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000037427138 569195846 /nfs/dbraw/zinc/19/58/46/569195846.db2.gz FVPCURCONMRMID-FBLLAGFSSA-N 0 0 429.491 5.124 50 0 IKAARN Cc1ccc2nc(-c3cc(C)ccc3OS(=O)(=O)c3cccc(C(F)(F)F)c3)oc2c1 ZINC000037427415 569195919 /nfs/dbraw/zinc/19/59/19/569195919.db2.gz XWWYHAOVZWEMNV-UHFFFAOYSA-N 0 0 447.434 5.898 50 0 IKAARN CN(C)c1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)c1 ZINC000037428111 569196019 /nfs/dbraw/zinc/19/60/19/569196019.db2.gz CXCLWFUTCATRSE-UHFFFAOYSA-N 0 0 426.303 6.120 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCC3)C2)cc1 ZINC000037439133 569196356 /nfs/dbraw/zinc/19/63/56/569196356.db2.gz YYRAIAQPAGDOBX-OAQYLSRUSA-N 0 0 430.470 5.336 50 0 IKAARN CC[C@H](C(=O)N1CCCC1)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1OC ZINC000037439429 569196368 /nfs/dbraw/zinc/19/63/68/569196368.db2.gz KRNWPSCQGFIURX-OAQYLSRUSA-N 0 0 435.593 5.666 50 0 IKAARN O=C(C1CC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439726 569196539 /nfs/dbraw/zinc/19/65/39/569196539.db2.gz QZKKQKMXCIKMPT-QGZVFWFLSA-N 0 0 436.861 5.291 50 0 IKAARN CC[C@@H](C(=O)NCc1ccccn1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037440335 569196603 /nfs/dbraw/zinc/19/66/03/569196603.db2.gz HZTTXHPWLWLLHJ-FQEVSTJZSA-N 0 0 438.597 5.077 50 0 IKAARN O=C(c1ccco1)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440238 569196666 /nfs/dbraw/zinc/19/66/66/569196666.db2.gz RBKUAHLPHSBGAW-IBGZPJMESA-N 0 0 446.400 5.273 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440977 569196678 /nfs/dbraw/zinc/19/66/78/569196678.db2.gz OKEMPWYGBDEHAV-LJQANCHMSA-N 0 0 442.412 5.079 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037441214 569196681 /nfs/dbraw/zinc/19/66/81/569196681.db2.gz IFJROSKITTWDHF-IBGZPJMESA-N 0 0 442.943 5.027 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441132 569196683 /nfs/dbraw/zinc/19/66/83/569196683.db2.gz IYOYWONZUNLPDV-LJQANCHMSA-N 0 0 442.412 5.079 50 0 IKAARN O=C(c1cccs1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440968 569196689 /nfs/dbraw/zinc/19/66/89/569196689.db2.gz MGTSVWRNOMDDNS-SFHVURJKSA-N 0 0 428.916 5.376 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441272 569196695 /nfs/dbraw/zinc/19/66/95/569196695.db2.gz SWNKQBZVXCZMTG-LJQANCHMSA-N 0 0 434.367 5.497 50 0 IKAARN O=C(c1cccs1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441172 569196700 /nfs/dbraw/zinc/19/67/00/569196700.db2.gz NWORFBBVGFQSEG-LJQANCHMSA-N 0 0 445.371 5.891 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441269 569196715 /nfs/dbraw/zinc/19/67/15/569196715.db2.gz SWNKQBZVXCZMTG-IBGZPJMESA-N 0 0 434.367 5.497 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)(C)C)C1 ZINC000037441262 569196747 /nfs/dbraw/zinc/19/67/47/569196747.db2.gz LRCBZUKJDYEWGT-LJQANCHMSA-N 0 0 447.501 5.517 50 0 IKAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441187 569196753 /nfs/dbraw/zinc/19/67/53/569196753.db2.gz BSSYLBPQTGHNDV-HXUWFJFHSA-N 0 0 440.877 5.454 50 0 IKAARN CC(C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440945 569196765 /nfs/dbraw/zinc/19/67/65/569196765.db2.gz FLVCQTOMIHOXBP-FQEVSTJZSA-N 0 0 436.449 5.412 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440974 569196772 /nfs/dbraw/zinc/19/67/72/569196772.db2.gz OKEMPWYGBDEHAV-IBGZPJMESA-N 0 0 442.412 5.079 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441669 569196818 /nfs/dbraw/zinc/19/68/18/569196818.db2.gz DLKLYPGCPKHTMI-GOSISDBHSA-N 0 0 435.902 5.122 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441572 569196820 /nfs/dbraw/zinc/19/68/20/569196820.db2.gz PRLDOHYLEQMITR-JOCHJYFZSA-N 0 0 440.877 5.454 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2F)C(=O)c2ccccc2F)C1 ZINC000037441713 569196824 /nfs/dbraw/zinc/19/68/24/569196824.db2.gz BVEWIKYYLMHPIW-IBGZPJMESA-N 0 0 438.449 5.248 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441614 569196831 /nfs/dbraw/zinc/19/68/31/569196831.db2.gz DDUFDQWEKWWOGF-FQEVSTJZSA-N 0 0 440.877 5.454 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(Cl)c2)C(=O)c2ccccc2F)C1 ZINC000037441396 569196866 /nfs/dbraw/zinc/19/68/66/569196866.db2.gz XXFBMYPFHOOFAH-FQEVSTJZSA-N 0 0 436.914 5.623 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2F)C(=O)c2ccccc2F)C1 ZINC000037441715 569196870 /nfs/dbraw/zinc/19/68/70/569196870.db2.gz BVEWIKYYLMHPIW-LJQANCHMSA-N 0 0 438.449 5.248 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2Cl)C(=O)c2cccc(F)c2)C1 ZINC000037441404 569196875 /nfs/dbraw/zinc/19/68/75/569196875.db2.gz XVDSQWOAGBHWOW-OAQYLSRUSA-N 0 0 436.914 5.623 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1ccccc1)C(=O)c1cccs1 ZINC000037441863 569196952 /nfs/dbraw/zinc/19/69/52/569196952.db2.gz IATGOMJHJADDPY-UHFFFAOYSA-N 0 0 433.577 5.005 50 0 IKAARN 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569201338 /nfs/dbraw/zinc/20/13/38/569201338.db2.gz LETNADABTOFQPG-INIZCTEOSA-N 0 0 433.882 5.360 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2F)CC(=O)N1Cc1cccc(F)c1F ZINC000037575021 569201362 /nfs/dbraw/zinc/20/13/62/569201362.db2.gz YYKYEDRXUSXNED-SFHVURJKSA-N 0 0 449.444 5.232 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(=O)N(Cc3cccc(F)c3F)C(C)=C2C(=O)OC(C)C)c1 ZINC000037576645 569201456 /nfs/dbraw/zinc/20/14/56/569201456.db2.gz MBWXINZHRVMKFE-HXUWFJFHSA-N 0 0 427.491 5.323 50 0 IKAARN Cc1ccccc1[C@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C(C)=C1C(=O)OCC(C)C ZINC000037576730 569201480 /nfs/dbraw/zinc/20/14/80/569201480.db2.gz IEWJJJMODCKEQM-JOCHJYFZSA-N 0 0 427.491 5.263 50 0 IKAARN O=c1[nH]n(C2CCCC2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000002211723 569201585 /nfs/dbraw/zinc/20/15/85/569201585.db2.gz JGFIRXFEJDRWCT-QFIPXVFZSA-N 0 0 435.549 5.058 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)oc2c(C)c1 ZINC000002212871 569201752 /nfs/dbraw/zinc/20/17/52/569201752.db2.gz PABSXRPWBITLQW-UHFFFAOYSA-N 0 0 425.282 6.028 50 0 IKAARN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587641 569202056 /nfs/dbraw/zinc/20/20/56/569202056.db2.gz GWBHKDXQJDLHRH-UHFFFAOYSA-N 0 0 438.493 5.724 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2Cl)cc1 ZINC000002213725 569202171 /nfs/dbraw/zinc/20/21/71/569202171.db2.gz MKADPVNXOQSXRI-UHFFFAOYSA-N 0 0 449.967 5.072 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1cccc(Br)c1 ZINC000002213925 569202173 /nfs/dbraw/zinc/20/21/73/569202173.db2.gz DFKXNIJTFYTVQB-UHFFFAOYSA-N 0 0 433.305 5.220 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCc4ccc(Br)cc4)nc(N)c23)CO1 ZINC000002213281 569202175 /nfs/dbraw/zinc/20/21/75/569202175.db2.gz KAZKSYVZYJEQBM-UHFFFAOYSA-N 0 0 436.400 5.180 50 0 IKAARN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000002213989 569202179 /nfs/dbraw/zinc/20/21/79/569202179.db2.gz AMPYCABGZAAAKF-SDNWHVSQSA-N 0 0 444.512 5.225 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)Nc3ccccc3)c2)cc1 ZINC000037600987 569202299 /nfs/dbraw/zinc/20/22/99/569202299.db2.gz AYUYHYHDIQSQNC-UHFFFAOYSA-N 0 0 448.566 6.332 50 0 IKAARN O=C(/C=C/c1ccccc1)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC2CC2)c1 ZINC000037600710 569202375 /nfs/dbraw/zinc/20/23/75/569202375.db2.gz KGBCCIZPUSYEHS-DTQAZKPQSA-N 0 0 442.534 5.141 50 0 IKAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)NCCc1ccccc1 ZINC000037600627 569202398 /nfs/dbraw/zinc/20/23/98/569202398.db2.gz FJUPCEMBBFWGGK-UHFFFAOYSA-N 0 0 440.587 5.311 50 0 IKAARN Cc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000037601479 569202509 /nfs/dbraw/zinc/20/25/09/569202509.db2.gz RWYUCLAJCRJYIG-UHFFFAOYSA-N 0 0 442.603 5.775 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccc3)nc2c(C)c1 ZINC000002214748 569202828 /nfs/dbraw/zinc/20/28/28/569202828.db2.gz GZWRXZAPCHYFAZ-JOCHJYFZSA-N 0 0 438.508 5.769 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc(Cl)cc4)c32)CO1 ZINC000002215135 569202890 /nfs/dbraw/zinc/20/28/90/569202890.db2.gz ZLQOPOVOXSDMAG-HXUWFJFHSA-N 0 0 437.055 6.600 50 0 IKAARN Ic1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 ZINC000002214687 569202937 /nfs/dbraw/zinc/20/29/37/569202937.db2.gz IFCBGNJJHCZUAC-UHFFFAOYSA-N 0 0 448.267 5.240 50 0 IKAARN CCOC(CSc1nc(SC)nc2sc3c(c21)C[C@](C)(CC)OC3)OCC ZINC000002215481 569203246 /nfs/dbraw/zinc/20/32/46/569203246.db2.gz DDEHDKHUBPRPIL-IBGZPJMESA-N 0 0 428.645 5.146 50 0 IKAARN CCCC[C@@H]1[C@@H](C)[C@H]1C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000252629651 569203853 /nfs/dbraw/zinc/20/38/53/569203853.db2.gz UKWKRGITTWWFGQ-LIKDZFNVSA-N 0 0 426.560 6.676 50 0 IKAARN Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)n1 ZINC000002219874 569204341 /nfs/dbraw/zinc/20/43/41/569204341.db2.gz DZCIIXIJGDBVAK-UHFFFAOYSA-N 0 0 438.314 5.984 50 0 IKAARN CC[C@H](C)COC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002220189 569204375 /nfs/dbraw/zinc/20/43/75/569204375.db2.gz GKVWBWRTQACDKR-ZDUSSCGKSA-N 0 0 442.441 5.378 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3SCC(=O)Nc3ccccn3)c2c2c1CCC2 ZINC000002221244 569204579 /nfs/dbraw/zinc/20/45/79/569204579.db2.gz HUYAQZYIYNQOJC-UHFFFAOYSA-N 0 0 449.605 5.053 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1Cl ZINC000002220383 569204587 /nfs/dbraw/zinc/20/45/87/569204587.db2.gz WXRCFZRNWHWQJF-UHFFFAOYSA-N 0 0 447.951 5.109 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)c4ccc(F)cc4)c23)CO1 ZINC000002222458 569204602 /nfs/dbraw/zinc/20/46/02/569204602.db2.gz CTBAONBLGFLLDY-NRFANRHFSA-N 0 0 448.610 5.769 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCc1ccccc1)C3=O ZINC000002224142 569204894 /nfs/dbraw/zinc/20/48/94/569204894.db2.gz FTMXIRBICBQNGW-QHCPKHFHSA-N 0 0 429.903 5.543 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccc(N(CC)CC)cc2)c2c1cc(OCC)c1ccccc21 ZINC000002224321 569204917 /nfs/dbraw/zinc/20/49/17/569204917.db2.gz QYKDZDBLYRQRNB-UHFFFAOYSA-N 0 0 444.575 6.514 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1C ZINC000002226852 569205885 /nfs/dbraw/zinc/20/58/85/569205885.db2.gz KVDVIHRGLUSQFB-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2cccs2)cc1C ZINC000002228876 569208176 /nfs/dbraw/zinc/20/81/76/569208176.db2.gz UVVAQMTUGFHDHY-UHFFFAOYSA-N 0 0 449.963 5.792 50 0 IKAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3Cl)cc2O)c1 ZINC000002229609 569208337 /nfs/dbraw/zinc/20/83/37/569208337.db2.gz RMNGPBOWDOGYGW-UHFFFAOYSA-N 0 0 449.894 5.465 50 0 IKAARN Cc1ccccc1N=c1scc(-c2ccc(Br)cc2)n1-c1ccccc1C ZINC000252665977 569209586 /nfs/dbraw/zinc/20/95/86/569209586.db2.gz ABZCQTWCNXGMMS-UHFFFAOYSA-N 0 0 435.390 6.818 50 0 IKAARN Cc1cc2c(nc3sc(=Cc4cccc(OCc5ccc(Cl)cc5)c4)c(=O)n23)c(C)c1 ZINC000252667659 569209676 /nfs/dbraw/zinc/20/96/76/569209676.db2.gz DDWZAYUUGHAKEO-UHFFFAOYSA-N 0 0 446.959 5.306 50 0 IKAARN Cc1cc2nc3sc(=Cc4cn(Cc5ccccc5)c5ccccc45)c(=O)n3c2cc1C ZINC000252666528 569209706 /nfs/dbraw/zinc/20/97/06/569209706.db2.gz BUAQWNLWPANXOM-UHFFFAOYSA-N 0 0 435.552 5.077 50 0 IKAARN COc1ccc(-c2c(C)sc(=NC(=O)c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000252669610 569209852 /nfs/dbraw/zinc/20/98/52/569209852.db2.gz IBZFTBRFTXIZSZ-UHFFFAOYSA-N 0 0 430.529 5.273 50 0 IKAARN COc1ccc2oc(=Nc3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000252670000 569209963 /nfs/dbraw/zinc/20/99/63/569209963.db2.gz JGVWSOOWWVQJCP-UHFFFAOYSA-N 0 0 435.405 6.236 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)CO1 ZINC000002230288 569210163 /nfs/dbraw/zinc/21/01/63/569210163.db2.gz LNWONUOIHDASCY-UHFFFAOYSA-N 0 0 426.394 5.724 50 0 IKAARN CCOC(=O)c1ccc(N=c2oc3c(cccc3OC)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000252673937 569210177 /nfs/dbraw/zinc/21/01/77/569210177.db2.gz ROHVQLRGFZAKDV-UHFFFAOYSA-N 0 0 439.471 5.394 50 0 IKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1cccc(Br)c1 ZINC000002230709 569210350 /nfs/dbraw/zinc/21/03/50/569210350.db2.gz YGYSEGKPLVGSNO-UHFFFAOYSA-N 0 0 447.332 5.703 50 0 IKAARN CCCCc1nc2sc3c(ncnc3SC/C=C/c3ccccc3)c2c2c1CCC2 ZINC000002230767 569210405 /nfs/dbraw/zinc/21/04/05/569210405.db2.gz IDHBJMSMVQTSNT-DHZHZOJOSA-N 0 0 431.630 6.876 50 0 IKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000252679991 569210648 /nfs/dbraw/zinc/21/06/48/569210648.db2.gz UMAHQZNUPCXKFC-OTDFCCBVSA-N 0 0 438.608 5.998 50 0 IKAARN CCCCCNC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000252693196 569210817 /nfs/dbraw/zinc/21/08/17/569210817.db2.gz BTQCHPRUVKAYMZ-SMPLIUFNSA-N 0 0 429.557 5.238 50 0 biogenic IKAARN CC(C)(C)C(=O)N[C@H](Oc1ccnc(SCc2ccccc2)n1)C(Cl)(Cl)Cl ZINC000002679778 569211320 /nfs/dbraw/zinc/21/13/20/569211320.db2.gz UVQLQQPKSRUSRV-OAHLLOKOSA-N 0 0 448.803 5.006 50 0 IKAARN Clc1cc(Br)ccc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000002235785 569212088 /nfs/dbraw/zinc/21/20/88/569212088.db2.gz KCKAJFSNPOEHHC-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN CCCCCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002235423 569212094 /nfs/dbraw/zinc/21/20/94/569212094.db2.gz QDDXWBGDBRCMGH-UHFFFAOYSA-N 0 0 426.879 5.295 50 0 IKAARN Nc1c(Br)cc2oc(-c3cc(Cl)ccc3Cl)nc2c1Br ZINC000002236476 569212209 /nfs/dbraw/zinc/21/22/09/569212209.db2.gz SVICBQDNZGXMAQ-UHFFFAOYSA-N 0 0 436.918 5.909 50 0 IKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000002238159 569212253 /nfs/dbraw/zinc/21/22/53/569212253.db2.gz GRFXBBHTOHZBMH-UHFFFAOYSA-N 0 0 425.941 5.359 50 0 IKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000001213736 569212339 /nfs/dbraw/zinc/21/23/39/569212339.db2.gz TVGAJSJJSAQBCH-IEBWSBKVSA-N 0 0 448.876 6.012 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O ZINC000002236745 569212389 /nfs/dbraw/zinc/21/23/89/569212389.db2.gz VZTNVJFZJGXJGV-QFIPXVFZSA-N 0 0 431.875 5.206 50 0 IKAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)c(C)c2)cc1 ZINC000002236908 569212394 /nfs/dbraw/zinc/21/23/94/569212394.db2.gz NQPUYCGOYQPYPH-UHFFFAOYSA-N 0 0 445.320 5.715 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(F)cc3)c3c(N)c(C(=O)NC(C)(C)C)sc3n2)cc1 ZINC000002237025 569212403 /nfs/dbraw/zinc/21/24/03/569212403.db2.gz VRKOJMBMVXOQDI-UHFFFAOYSA-N 0 0 449.551 5.889 50 0 IKAARN COc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(OC)c(OC)cc32)cc1 ZINC000002691389 569212552 /nfs/dbraw/zinc/21/25/52/569212552.db2.gz KVBNJWMHLCMMRR-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN Fc1ccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 ZINC000002690328 569212562 /nfs/dbraw/zinc/21/25/62/569212562.db2.gz YBZONIKVCBICTB-UHFFFAOYSA-N 0 0 431.854 5.773 50 0 IKAARN Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000002693152 569212582 /nfs/dbraw/zinc/21/25/82/569212582.db2.gz HIAFCWRAHJUJRR-UHFFFAOYSA-N 0 0 437.467 5.194 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc(OC)c(OC)cc32)c1 ZINC000002691953 569212614 /nfs/dbraw/zinc/21/26/14/569212614.db2.gz LVKNIONMMZOAGE-UHFFFAOYSA-N 0 0 439.515 5.586 50 0 IKAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc32)cc1C ZINC000002713722 569212672 /nfs/dbraw/zinc/21/26/72/569212672.db2.gz RFTJJEBUYHXFHU-UHFFFAOYSA-N 0 0 435.932 5.569 50 0 IKAARN CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2cccs2)cc1 ZINC000002722376 569212687 /nfs/dbraw/zinc/21/26/87/569212687.db2.gz QIKITCWOPPBSLJ-UHFFFAOYSA-N 0 0 449.645 6.378 50 0 IKAARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1C ZINC000002724418 569212707 /nfs/dbraw/zinc/21/27/07/569212707.db2.gz CFFZQEVXAVDOSD-QHCPKHFHSA-N 0 0 449.348 5.250 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)NC3CCCCC3)c2c1 ZINC000002722588 569212718 /nfs/dbraw/zinc/21/27/18/569212718.db2.gz BFOLMZIGMLKCIK-UHFFFAOYSA-N 0 0 441.666 5.798 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(C)c1C ZINC000002722480 569212743 /nfs/dbraw/zinc/21/27/43/569212743.db2.gz LKYHTBUDVTVJFV-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN Brc1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)c1 ZINC000002712929 569212760 /nfs/dbraw/zinc/21/27/60/569212760.db2.gz LMOHXIXGKXMQQM-UHFFFAOYSA-N 0 0 444.336 5.362 50 0 IKAARN CC(C)n1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccccc1Cl ZINC000002713506 569212768 /nfs/dbraw/zinc/21/27/68/569212768.db2.gz MDMDZIRKNKMJSQ-UHFFFAOYSA-N 0 0 427.913 5.108 50 0 IKAARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)cc1C ZINC000002724417 569212771 /nfs/dbraw/zinc/21/27/71/569212771.db2.gz CFFZQEVXAVDOSD-HSZRJFAPSA-N 0 0 449.348 5.250 50 0 IKAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2C)cc1 ZINC000002238268 569212817 /nfs/dbraw/zinc/21/28/17/569212817.db2.gz LNRFBHDJMUNQOY-UHFFFAOYSA-N 0 0 445.320 5.715 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002724770 569212869 /nfs/dbraw/zinc/21/28/69/569212869.db2.gz QSWPLXYGSSHRGL-OAQYLSRUSA-N 0 0 429.278 5.316 50 0 IKAARN CC1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 ZINC000002238752 569212879 /nfs/dbraw/zinc/21/28/79/569212879.db2.gz TXVHQOJHMXLXFE-UHFFFAOYSA-N 0 0 426.394 5.724 50 0 IKAARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)c1 ZINC000002239393 569213007 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QPYRCUXPTZSFTA-AWEZNQCLSA-N 0 0 442.606 5.415 50 0 IKAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 ZINC000003584079 569213411 /nfs/dbraw/zinc/21/34/11/569213411.db2.gz SCEKBNVSEKNFNW-QUCCMNQESA-N 0 0 444.457 5.421 50 0 IKAARN Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000002245138 569213448 /nfs/dbraw/zinc/21/34/48/569213448.db2.gz VAZBMEFIQSRIPP-UHFFFAOYSA-N 0 0 440.956 5.158 50 0 IKAARN CCCCc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002245090 569213524 /nfs/dbraw/zinc/21/35/24/569213524.db2.gz PQAODQOYWIQYTL-UHFFFAOYSA-N 0 0 430.552 5.701 50 0 IKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)cc4)n21)CCCC3 ZINC000002240288 569213535 /nfs/dbraw/zinc/21/35/35/569213535.db2.gz HHUBQFXOZQMJMW-UHFFFAOYSA-N 0 0 433.027 5.885 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1Cl ZINC000002240442 569213633 /nfs/dbraw/zinc/21/36/33/569213633.db2.gz UHNSPGUHVOWSGC-UHFFFAOYSA-N 0 0 447.705 6.716 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn32)cc1 ZINC000002244870 569213853 /nfs/dbraw/zinc/21/38/53/569213853.db2.gz QPXPYEPBWREWQH-UHFFFAOYSA-N 0 0 437.334 5.735 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)sc1C ZINC000002245013 569213860 /nfs/dbraw/zinc/21/38/60/569213860.db2.gz AEORTCSRKCTCFM-IBGZPJMESA-N 0 0 436.920 5.578 50 0 IKAARN O=C(N[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl)c1cccnc1 ZINC000027469757 569213868 /nfs/dbraw/zinc/21/38/68/569213868.db2.gz LIPRGYIJDBWZDH-CYBMUJFWSA-N 0 0 447.071 5.292 50 0 IKAARN CC(C)COc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 ZINC000002250856 569213873 /nfs/dbraw/zinc/21/38/73/569213873.db2.gz FTXGPSSBVSQOOL-UHFFFAOYSA-N 0 0 438.575 6.251 50 0 IKAARN CCN(CC)/C(SCc1ccccc1)=C(C(/Cl)=C(/Cl)Br)\[N+](=O)[O-] ZINC000027470591 569213875 /nfs/dbraw/zinc/21/38/75/569213875.db2.gz YXWIIVPAAPMABR-PMJBJKLVSA-N 0 0 440.190 5.749 50 0 IKAARN CCn1c2ccccc2c2cc(-n3c(-c4cccs4)nc4nc5ccccc5nc43)ccc21 ZINC000002250929 569214022 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50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000002246858 569214526 /nfs/dbraw/zinc/21/45/26/569214526.db2.gz BNFLWZRLAJJHTR-NRFANRHFSA-N 0 0 446.528 5.405 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCc1ccccc1-3 ZINC000002248266 569214743 /nfs/dbraw/zinc/21/47/43/569214743.db2.gz WFYLOXRJGRMELK-UHFFFAOYSA-N 0 0 448.613 6.114 50 0 IKAARN CCCCCCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002249201 569214760 /nfs/dbraw/zinc/21/47/60/569214760.db2.gz UMKYSSHRDDIZER-UHFFFAOYSA-N 0 0 435.959 5.330 50 0 IKAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002249141 569214764 /nfs/dbraw/zinc/21/47/64/569214764.db2.gz IIGQRHGMKPKIEP-FCHUYYIVSA-N 0 0 448.935 5.214 50 0 IKAARN O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCS[C@H]1c1ccccc1Cl ZINC000002249514 569214789 /nfs/dbraw/zinc/21/47/89/569214789.db2.gz LPCWUWXWQIIZNO-NRFANRHFSA-N 0 0 431.966 5.569 50 0 IKAARN CSc1nc2c3c4c(c(C(C)C)nc3sc2c(SCc2ccccc2)n1)CCC4 ZINC000002250021 569214796 /nfs/dbraw/zinc/21/47/96/569214796.db2.gz FWOYJBKVBGHTLZ-UHFFFAOYSA-N 0 0 437.659 6.866 50 0 IKAARN Cc1ccc(CNC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc32)cc1 ZINC000002249556 569214843 /nfs/dbraw/zinc/21/48/43/569214843.db2.gz CJXBUCVDKHUQOX-UHFFFAOYSA-N 0 0 441.922 5.048 50 0 IKAARN COc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1Cl ZINC000002252895 569215009 /nfs/dbraw/zinc/21/50/09/569215009.db2.gz DFKDVHZUOCLSHL-UHFFFAOYSA-N 0 0 442.950 6.595 50 0 IKAARN O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002253128 569215058 /nfs/dbraw/zinc/21/50/58/569215058.db2.gz SAXACZVGRJGSKK-UHFFFAOYSA-N 0 0 438.314 5.399 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=N2)c2ccccc2O[C@H]1c1ccccc1 ZINC000002257985 569215362 /nfs/dbraw/zinc/21/53/62/569215362.db2.gz SPDSPJFXXCHCNO-SFTDATJTSA-N 0 0 430.558 5.621 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)NCc3ccc(Cl)cc3)c3nc4ccccc4nc32)c1 ZINC000002258131 569215428 /nfs/dbraw/zinc/21/54/28/569215428.db2.gz YFEGKYDUESXJBN-UHFFFAOYSA-N 0 0 441.922 5.048 50 0 IKAARN C[C@H]1CCc2sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c3c2C1 ZINC000002259046 569215431 /nfs/dbraw/zinc/21/54/31/569215431.db2.gz GQAJGFFCPQKMRD-KRWDZBQOSA-N 0 0 432.614 5.923 50 0 IKAARN COc1cc(-c2cc(-c3ccccc3)nc3sc(C(C)=O)c(N)c32)cc(OC)c1OC ZINC000002259450 569215504 /nfs/dbraw/zinc/21/55/04/569215504.db2.gz ULKSOYIJCWGFJD-UHFFFAOYSA-N 0 0 434.517 5.441 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3nc4ccccc4nc32)c1 ZINC000002260151 569215549 /nfs/dbraw/zinc/21/55/49/569215549.db2.gz CQVYTKLVOAUKBR-UHFFFAOYSA-N 0 0 427.895 5.370 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002261112 569215731 /nfs/dbraw/zinc/21/57/31/569215731.db2.gz NGLCYTVSTPVRLJ-UHFFFAOYSA-N 0 0 445.885 5.260 50 0 IKAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000002262089 569215983 /nfs/dbraw/zinc/21/59/83/569215983.db2.gz MVPLPACXVWFGKJ-UHFFFAOYSA-N 0 0 427.912 6.808 50 0 IKAARN COC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1cc2ccccc2cc1OC ZINC000002262264 569215995 /nfs/dbraw/zinc/21/59/95/569215995.db2.gz OZPYCIBLWFVDTF-UHFFFAOYSA-N 0 0 431.513 5.924 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(F)cc1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000002264349 569216104 /nfs/dbraw/zinc/21/61/04/569216104.db2.gz NRKVLBUFRSZMLD-UHFFFAOYSA-N 0 0 446.474 5.902 50 0 IKAARN CCCCc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002265525 569216211 /nfs/dbraw/zinc/21/62/11/569216211.db2.gz HIFGCEOPLWMLRY-UHFFFAOYSA-N 0 0 442.563 5.988 50 0 IKAARN CCOc1cccc2cc(-c3csc(Nc4ccc(Cl)cc4Cl)n3)c(=O)oc21 ZINC000027498961 569216307 /nfs/dbraw/zinc/21/63/07/569216307.db2.gz RGQZNCLBLFGUNX-UHFFFAOYSA-N 0 0 433.316 6.366 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(Nc3ccc(Br)cc3)n2)cc1Cl ZINC000002266675 569216323 /nfs/dbraw/zinc/21/63/23/569216323.db2.gz MLYYYBCAVPVFKK-UHFFFAOYSA-N 0 0 445.147 7.110 50 0 IKAARN FC(F)(F)c1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1 ZINC000002267049 569216331 /nfs/dbraw/zinc/21/63/31/569216331.db2.gz KJYNPNNBCORBBE-UHFFFAOYSA-N 0 0 434.248 7.366 50 0 IKAARN Cn1c(=O)c2c(nc1SCC(=O)c1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002267131 569216334 /nfs/dbraw/zinc/21/63/34/569216334.db2.gz OYXXMDYSSKXUCZ-UHFFFAOYSA-N 0 0 430.573 5.180 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)/c(=N/c3ccccc3)oc21 ZINC000027500074 569216457 /nfs/dbraw/zinc/21/64/57/569216457.db2.gz UEVQGSIELWFTRP-RWEWTDSWSA-N 0 0 439.298 6.233 50 0 IKAARN CCn1c2ccccc2c2cc(-n3c(-c4ccccc4)nc4nc5ccccc5nc43)ccc21 ZINC000002253645 569216603 /nfs/dbraw/zinc/21/66/03/569216603.db2.gz RJGPAMAVKTUISQ-UHFFFAOYSA-N 0 0 439.522 6.764 50 0 IKAARN CC(C)(C)OC(=O)c1c(N)n(-c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3nc21 ZINC000002254057 569216685 /nfs/dbraw/zinc/21/66/85/569216685.db2.gz BBZGAHNUBXNATQ-UHFFFAOYSA-N 0 0 444.413 5.010 50 0 IKAARN S=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 ZINC000002255193 569216776 /nfs/dbraw/zinc/21/67/76/569216776.db2.gz RZHCTRZUWOEJMQ-UHFFFAOYSA-N 0 0 448.595 6.594 50 0 IKAARN Brc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 ZINC000002256157 569216919 /nfs/dbraw/zinc/21/69/19/569216919.db2.gz FGTSWRYMULHEOS-UHFFFAOYSA-N 0 0 445.364 5.979 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)N(C)c3ccccc3)cc21 ZINC000002256147 569216946 /nfs/dbraw/zinc/21/69/46/569216946.db2.gz CYWVECSNFAVULR-UHFFFAOYSA-N 0 0 442.515 5.157 50 0 IKAARN Cc1ccc(Cn2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 ZINC000002255932 569216958 /nfs/dbraw/zinc/21/69/58/569216958.db2.gz PBQCCVOTBYJIIK-UHFFFAOYSA-N 0 0 429.321 5.766 50 0 IKAARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=N2)c2ccccc2O[C@H]1c1ccc(F)cc1 ZINC000002256808 569216972 /nfs/dbraw/zinc/21/69/72/569216972.db2.gz KRSKMWXPJDSVOD-RTWAWAEBSA-N 0 0 448.548 5.761 50 0 IKAARN Clc1ccccc1Cn1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 ZINC000002256690 569217028 /nfs/dbraw/zinc/21/70/28/569217028.db2.gz XWMOIMCYKANVLV-UHFFFAOYSA-N 0 0 449.739 6.111 50 0 IKAARN CCn1c(=O)c2c(nc1SCc1ccccc1C)-c1ccccc1CC21CCCCC1 ZINC000002256508 569217045 /nfs/dbraw/zinc/21/70/45/569217045.db2.gz GPWFSKARSUJVRR-UHFFFAOYSA-N 0 0 430.617 6.289 50 0 IKAARN Cc1ccc2c(c1)N([C@@H](C(=O)Oc1ccccc1)C(Cl)(Cl)Cl)C(C)(C)C=C2C ZINC000002270929 569217071 /nfs/dbraw/zinc/21/70/71/569217071.db2.gz CVWKXUHVOGTPHL-IBGZPJMESA-N 0 0 438.782 6.341 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002270799 569217098 /nfs/dbraw/zinc/21/70/98/569217098.db2.gz FAGCPZPKAGIRTC-INIZCTEOSA-N 0 0 426.651 6.490 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002270800 569217127 /nfs/dbraw/zinc/21/71/27/569217127.db2.gz FAGCPZPKAGIRTC-MRXNPFEDSA-N 0 0 426.651 6.490 50 0 IKAARN CC(C)Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002271407 569217644 /nfs/dbraw/zinc/21/76/44/569217644.db2.gz IIJSMTNWRGSCDZ-KRWDZBQOSA-N 0 0 426.651 6.158 50 0 IKAARN Cc1ccc(C)c(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1C ZINC000002274253 569217764 /nfs/dbraw/zinc/21/77/64/569217764.db2.gz QAAGYJYOEGHRSO-UHFFFAOYSA-N 0 0 446.978 6.501 50 0 IKAARN CCCCc1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002275273 569217848 /nfs/dbraw/zinc/21/78/48/569217848.db2.gz APWBNZANCORQCT-UHFFFAOYSA-N 0 0 432.593 6.046 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4Br)o3)c(=O)oc2c1 ZINC000002275434 569217893 /nfs/dbraw/zinc/21/78/93/569217893.db2.gz PYBTTXHOTGNTEH-UHFFFAOYSA-N 0 0 440.297 5.119 50 0 biogenic IKAARN CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccccc3Br)cc21 ZINC000002279658 569218047 /nfs/dbraw/zinc/21/80/47/569218047.db2.gz ZTNWXYUEKYNQHK-UHFFFAOYSA-N 0 0 430.298 5.128 50 0 IKAARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(Cl)cc3Cl)oc21 ZINC000027520511 569218079 /nfs/dbraw/zinc/21/80/79/569218079.db2.gz AKLJYJCRXMOHDQ-NFFVHWSESA-N 0 0 436.298 6.524 50 0 IKAARN O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000027521115 569218301 /nfs/dbraw/zinc/21/83/01/569218301.db2.gz UTAGUDYKUKRZPM-NRFANRHFSA-N 0 0 426.335 6.020 50 0 IKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2ccc(F)cc2)cc1 ZINC000027521183 569218358 /nfs/dbraw/zinc/21/83/58/569218358.db2.gz SBQJGIPIAJVKBI-ULJHMMPZSA-N 0 0 434.486 5.717 50 0 IKAARN C/C(C=NNC(=O)CCC(=O)Nc1cccc2ccccc21)=C/c1ccc(C(C)C)cc1 ZINC000002100061 569256437 /nfs/dbraw/zinc/25/64/37/569256437.db2.gz NCSWDZUXLJNPKJ-MQZDSHHCSA-N 0 0 427.548 5.887 50 0 IKAARN CC(=O)N1c2ccc([C@]3(C)CC(C)(C)N(C(C)=O)c4ccccc43)cc2C(C)=CC1(C)C ZINC000003121727 569256496 /nfs/dbraw/zinc/25/64/96/569256496.db2.gz YNUIMZBYWUDEDE-NDEPHWFRSA-N 0 0 430.592 6.076 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000017265225 569256920 /nfs/dbraw/zinc/25/69/20/569256920.db2.gz IMLSMVPEHSIEGN-GMAHTHKFSA-N 0 0 441.369 5.908 50 0 IKAARN O=C(N[C@@H](Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000019798551 569256955 /nfs/dbraw/zinc/25/69/55/569256955.db2.gz GJANEYGSFOHLAT-HXUWFJFHSA-N 0 0 443.728 5.153 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc(-c3ccccc3F)cc12 ZINC000019879315 569256982 /nfs/dbraw/zinc/25/69/82/569256982.db2.gz NYTKYCKPQYOHBW-UHFFFAOYSA-N 0 0 438.458 5.701 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1 ZINC000019862851 569257054 /nfs/dbraw/zinc/25/70/54/569257054.db2.gz DGUKVBBGUDQCCC-UHFFFAOYSA-N 0 0 426.447 5.561 50 0 IKAARN O[C@@H](c1oc2ccccc2c1-c1cnc2c(c1)COc1ccc(F)cc1-2)c1ccc(F)cc1 ZINC000019898067 569257087 /nfs/dbraw/zinc/25/70/87/569257087.db2.gz KCQKZLYDEWAHNS-AREMUKBSSA-N 0 0 441.433 6.414 50 0 IKAARN Cc1cc2oc([C@@H](O)c3ccc(F)cc3)c(-c3cnn(-c4ccccc4)c3)c2cc1Cl ZINC000019898064 569257111 /nfs/dbraw/zinc/25/71/11/569257111.db2.gz ORVPHJHYSPGUIF-DEOSSOPVSA-N 0 0 432.882 6.468 50 0 IKAARN O=c1c2cc(Cl)ccc2occ1[C@H]1Sc2ccccc2N=C2c3ccccc3OC[C@H]21 ZINC000019898053 569257118 /nfs/dbraw/zinc/25/71/18/569257118.db2.gz ZSOZMQPRIDDERD-NSYGIPOTSA-N 0 0 445.927 6.423 50 0 IKAARN O=c1c2ccccc2occ1[C@@H]1Sc2ccccc2N=C2c3cc(Cl)ccc3OC[C@H]21 ZINC000019898057 569257138 /nfs/dbraw/zinc/25/71/38/569257138.db2.gz QNEDIBGQOIOQRG-CRICUBBOSA-N 0 0 445.927 6.423 50 0 IKAARN O=c1c2cc(Cl)ccc2occ1[C@@H]1Sc2ccccc2N=C2c3ccccc3OC[C@@H]21 ZINC000019898049 569257149 /nfs/dbraw/zinc/25/71/49/569257149.db2.gz ZSOZMQPRIDDERD-SSOJOUAXSA-N 0 0 445.927 6.423 50 0 IKAARN O=c1c2cc(Cl)ccc2occ1[C@@H]1Sc2ccccc2N=C2c3ccccc3OC[C@H]21 ZINC000019898052 569257159 /nfs/dbraw/zinc/25/71/59/569257159.db2.gz ZSOZMQPRIDDERD-CRICUBBOSA-N 0 0 445.927 6.423 50 0 IKAARN Cc1cc2oc([C@H](O)c3ccc(F)cc3)c(-c3cnn(-c4ccccc4)c3)c2cc1Cl ZINC000019898065 569257173 /nfs/dbraw/zinc/25/71/73/569257173.db2.gz ORVPHJHYSPGUIF-XMMPIXPASA-N 0 0 432.882 6.468 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2-c2cnc3c(c2)COc2ccccc2-3)cc1 ZINC000019898014 569257178 /nfs/dbraw/zinc/25/71/78/569257178.db2.gz YLIWDDIPOKKDSX-UHFFFAOYSA-N 0 0 433.463 6.294 50 0 IKAARN O=c1c2ccccc2occ1[C@@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@H]21 ZINC000019908422 569257189 /nfs/dbraw/zinc/25/71/89/569257189.db2.gz MLLLQSLKMPVAOG-CRICUBBOSA-N 0 0 429.472 5.909 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1OC ZINC000019928201 569257246 /nfs/dbraw/zinc/25/72/46/569257246.db2.gz MZHIGKRTMUGOIC-BWKNWUBXSA-N 0 0 434.923 5.908 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)s3)=NN21 ZINC000019928248 569257248 /nfs/dbraw/zinc/25/72/48/569257248.db2.gz PDVGKZYHIXHHCT-UZLBHIALSA-N 0 0 445.769 6.406 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1OC ZINC000019928197 569257266 /nfs/dbraw/zinc/25/72/66/569257266.db2.gz MZHIGKRTMUGOIC-OFVILXPXSA-N 0 0 434.923 5.908 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000019926769 569257271 /nfs/dbraw/zinc/25/72/71/569257271.db2.gz RDGUIJIAEPEKFO-FYYLOGMGSA-N 0 0 437.312 6.139 50 0 IKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1OC ZINC000019926466 569257278 /nfs/dbraw/zinc/25/72/78/569257278.db2.gz CFYAXJUSSLKAJA-YWEHKCAJSA-N 0 0 436.511 6.099 50 0 IKAARN CC(C)C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019926454 569257299 /nfs/dbraw/zinc/25/72/99/569257299.db2.gz HJGCGEGKKPEZRX-UPVQGACJSA-N 0 0 435.365 6.518 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)s4)=NN32)cc1 ZINC000019928242 569257304 /nfs/dbraw/zinc/25/73/04/569257304.db2.gz ZPZLWFQICUNQGT-OXQOHEQNSA-N 0 0 445.769 6.406 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)s3)=NN21 ZINC000019928250 569257309 /nfs/dbraw/zinc/25/73/09/569257309.db2.gz PDVGKZYHIXHHCT-OXQOHEQNSA-N 0 0 445.769 6.406 50 0 IKAARN 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 ZINC000025552148 569257346 /nfs/dbraw/zinc/25/73/46/569257346.db2.gz MNPFRDKDRKYDAA-QXBBPKNUSA-N 0 0 442.684 7.283 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000025572864 569257367 /nfs/dbraw/zinc/25/73/67/569257367.db2.gz WYFMNELGVJKICS-UNMCSNQZSA-N 0 0 429.333 6.038 50 0 IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccc(C)cc3)C1[C@H](c1cccs1)O2 ZINC000019928348 569257430 /nfs/dbraw/zinc/25/74/30/569257430.db2.gz XGWNIXHKRAZZIY-GOTSBHOMSA-N 0 0 428.517 5.217 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C2CCCCC2)cc1OC ZINC000025579212 569257441 /nfs/dbraw/zinc/25/74/41/569257441.db2.gz QKDUEKXZCOGSAB-RDPSFJRHSA-N 0 0 426.944 5.807 50 0 IKAARN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)CC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 ZINC000025549639 569257444 /nfs/dbraw/zinc/25/74/44/569257444.db2.gz GOHXLAGZTBVJAJ-LZAOZXTFSA-N 0 0 426.729 8.313 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000036352195 569257757 /nfs/dbraw/zinc/25/77/57/569257757.db2.gz BZXMTIAOAFOSFL-VPUSJEBWSA-N 0 0 426.560 6.625 50 0 IKAARN CCC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036371713 569257764 /nfs/dbraw/zinc/25/77/64/569257764.db2.gz QHOMXCCLTQDVMP-JNSQHCQWSA-N 0 0 428.657 6.893 50 0 IKAARN CC(=O)OC1=CC2=CC[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 ZINC000043758089 569257795 /nfs/dbraw/zinc/25/77/95/569257795.db2.gz DGCXQKBLGRZRTK-UTXREQJDSA-N 0 0 426.685 8.085 50 0 IKAARN 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 ZINC000039741209 569257832 /nfs/dbraw/zinc/25/78/32/569257832.db2.gz AHBKIEXBQNRDNL-YWXQMGQQSA-N 0 0 448.603 5.744 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000043758036 569257851 /nfs/dbraw/zinc/25/78/51/569257851.db2.gz XUGISPSHIFXEHZ-XDFXEABYSA-N 0 0 428.701 7.960 50 0 biogenic,in-vitro IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000039942586 569257871 /nfs/dbraw/zinc/25/78/71/569257871.db2.gz YAXRKAKOIWXVHL-IWCLCEFNSA-N 0 0 440.712 7.982 50 0 IKAARN CC(C)(C)OC(=O)[C@@]1(c2ccccc2)c2ccccc2CN1C(=O)OCc1ccccc1 ZINC000136567062 569258786 /nfs/dbraw/zinc/25/87/86/569258786.db2.gz GWNWEBIAHYTANH-HHHXNRCGSA-N 0 0 429.516 5.424 50 0 IKAARN CC(C)(C)OC(=O)[C@]1(c2ccccc2)c2ccccc2CN1C(=O)OCc1ccccc1 ZINC000136567020 569258817 /nfs/dbraw/zinc/25/88/17/569258817.db2.gz GWNWEBIAHYTANH-MHZLTWQESA-N 0 0 429.516 5.424 50 0 IKAARN CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1ccc2ccccc2c1 ZINC000231426889 569259090 /nfs/dbraw/zinc/25/90/90/569259090.db2.gz HDZUKAKJNUJUAC-WTLVGJOKSA-N 0 0 434.583 7.694 50 0 IKAARN c1ccc(-c2nc3sc4c(c3c(SCc3ccc5c(c3)OCO5)n2)CCCC4)cc1 ZINC000002280487 569262976 /nfs/dbraw/zinc/26/29/76/569262976.db2.gz LTJDSTSMQLWQIR-UHFFFAOYSA-N 0 0 432.570 6.258 50 0 IKAARN COC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000256980732 569263007 /nfs/dbraw/zinc/26/30/07/569263007.db2.gz WHMGDIMLSAAHJQ-GINCOIQFSA-N 0 0 444.700 8.179 50 0 IKAARN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000257347287 569263032 /nfs/dbraw/zinc/26/30/32/569263032.db2.gz CMEBYDLSQUFGEM-FFJZGWAWSA-N 0 0 440.668 7.059 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000257347595 569263115 /nfs/dbraw/zinc/26/31/15/569263115.db2.gz MBZYKEVPFYHDOH-MIGGKOEASA-N 0 0 428.745 8.559 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]21C)OCCO5 ZINC000257347616 569263120 /nfs/dbraw/zinc/26/31/20/569263120.db2.gz NCAQEOULCQQMGY-JPNMGIMYSA-N 0 0 430.717 7.851 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 ZINC000257347617 569263122 /nfs/dbraw/zinc/26/31/22/569263122.db2.gz NCAQEOULCQQMGY-PXGVPZTKSA-N 0 0 430.717 7.851 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(=O)Nc4ccccc4)CC[C@]32C)C1 ZINC000257347872 569263236 /nfs/dbraw/zinc/26/32/36/569263236.db2.gz XMWPQZREYSBONJ-XSLYVUENSA-N 0 0 449.635 6.526 50 0 IKAARN CCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000027527764 569263476 /nfs/dbraw/zinc/26/34/76/569263476.db2.gz CKUGCGPGJAQPGL-PXJZQJOASA-N 0 0 434.539 6.871 50 0 IKAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[C@H](C(C)(C)C)C3 ZINC000002282397 569263479 /nfs/dbraw/zinc/26/34/79/569263479.db2.gz FECTWPOMXTUNFG-AWEZNQCLSA-N 0 0 448.654 5.379 50 0 IKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000027527765 569263481 /nfs/dbraw/zinc/26/34/81/569263481.db2.gz CKUGCGPGJAQPGL-XRKRLSELSA-N 0 0 434.539 6.871 50 0 IKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 ZINC000027528338 569263582 /nfs/dbraw/zinc/26/35/82/569263582.db2.gz RXXDXIQKPJLINX-UHFFFAOYSA-N 0 0 434.927 5.325 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3c2)cc1 ZINC000002282911 569263596 /nfs/dbraw/zinc/26/35/96/569263596.db2.gz DDCSUPGWSQDFHO-UHFFFAOYSA-N 0 0 429.453 5.298 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1Cl ZINC000027528339 569263614 /nfs/dbraw/zinc/26/36/14/569263614.db2.gz DXTJWUAMPGRFCX-UHFFFAOYSA-N 0 0 441.318 5.362 50 0 IKAARN O=C(C=Cc1ccc(Cl)cc1)Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000027528449 569263627 /nfs/dbraw/zinc/26/36/27/569263627.db2.gz CZZZNVVKNXGYIM-RAXLEYEMSA-N 0 0 436.298 5.154 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(Cl)cc1 ZINC000002284597 569263741 /nfs/dbraw/zinc/26/37/41/569263741.db2.gz AXQAJGSSPNMXII-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN COC(=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000257355284 569263827 /nfs/dbraw/zinc/26/38/27/569263827.db2.gz AAYJGOKQTHXQBJ-FZGNUZCKSA-N 0 0 428.701 7.817 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002285207 569263864 /nfs/dbraw/zinc/26/38/64/569263864.db2.gz HZIDJAMUFUFRSG-UHFFFAOYSA-N 0 0 429.328 6.288 50 0 IKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C ZINC000257356819 569263868 /nfs/dbraw/zinc/26/38/68/569263868.db2.gz KNHGHMDIHVHLKX-HYPQVJNESA-N 0 0 446.628 5.345 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000253398192 569264669 /nfs/dbraw/zinc/26/46/69/569264669.db2.gz GSBLLUXTFMAIED-NRFANRHFSA-N 0 0 444.965 5.092 50 0 IKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(CC)cc3c2C)cc1OCC ZINC000027529797 569265384 /nfs/dbraw/zinc/26/53/84/569265384.db2.gz SPUGYZMAPAURTQ-UHFFFAOYSA-N 0 0 435.480 5.403 50 0 IKAARN COc1ccc([C@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)c(OC)c1 ZINC000253411807 569265830 /nfs/dbraw/zinc/26/58/30/569265830.db2.gz PDFOEQRIPWURBO-HXUWFJFHSA-N 0 0 442.467 5.227 50 0 biogenic IKAARN Fc1ccc(OCc2nc(CN3CCC[C@@H]3c3ccc(Br)cn3)cs2)cc1 ZINC000253411874 569265860 /nfs/dbraw/zinc/26/58/60/569265860.db2.gz VLAGJFQKXYYXGE-LJQANCHMSA-N 0 0 448.361 5.356 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)c(OC)c1 ZINC000253411805 569265878 /nfs/dbraw/zinc/26/58/78/569265878.db2.gz PDFOEQRIPWURBO-FQEVSTJZSA-N 0 0 442.467 5.227 50 0 biogenic IKAARN Cc1ccccc1OCCOCCOc1ccc(Cl)cc1C=C1SC(=S)NC1=O ZINC000027531669 569266287 /nfs/dbraw/zinc/26/62/87/569266287.db2.gz NFGSSDUZTZUQFN-CPNJWEJPSA-N 0 0 449.981 5.452 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(Cl)cc1 ZINC000027531989 569266473 /nfs/dbraw/zinc/26/64/73/569266473.db2.gz BXPHSXVDYFCVIP-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 ZINC000027531994 569266477 /nfs/dbraw/zinc/26/64/77/569266477.db2.gz XMEJEYHJXLXKQK-UHFFFAOYSA-N 0 0 444.487 5.274 50 0 IKAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1 ZINC000253418129 569266493 /nfs/dbraw/zinc/26/64/93/569266493.db2.gz JVTVKULBDJEZDP-KRWDZBQOSA-N 0 0 445.494 5.052 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1 ZINC000027533439 569266901 /nfs/dbraw/zinc/26/69/01/569266901.db2.gz USLDHCJTFCEXSW-UHFFFAOYSA-N 0 0 440.425 5.480 50 0 IKAARN O=P(Oc1ccccc1)(Oc1ccccc1)n1c2ccccc2nc1-c1cccnc1 ZINC000027533469 569266912 /nfs/dbraw/zinc/26/69/12/569266912.db2.gz ZEZHQSCUXHJXQT-UHFFFAOYSA-N 0 0 427.400 6.213 50 0 IKAARN C[C@@H]1CC[S@@](=O)CCN1c1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000253425561 569267224 /nfs/dbraw/zinc/26/72/24/569267224.db2.gz FFMFPVPMSIOAOQ-MHTXLSKPSA-N 0 0 439.631 5.434 50 0 IKAARN Cc1cccc(NC(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002290254 569267774 /nfs/dbraw/zinc/26/77/74/569267774.db2.gz ULDNSESECMHQTG-UHFFFAOYSA-N 0 0 425.536 5.618 50 0 IKAARN COc1ccc(-n2cnc3cc(Nc4nnc(-c5ccccc5)c5ccccc54)ccc32)cc1 ZINC000002290310 569267806 /nfs/dbraw/zinc/26/78/06/569267806.db2.gz RDZDGDIBUAUEHJ-UHFFFAOYSA-N 0 0 443.510 6.388 50 0 IKAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002290244 569267811 /nfs/dbraw/zinc/26/78/11/569267811.db2.gz XXUMMVGBJATEPI-UHFFFAOYSA-N 0 0 431.858 5.201 50 0 IKAARN Clc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc32)cc1 ZINC000002291283 569267892 /nfs/dbraw/zinc/26/78/92/569267892.db2.gz YXESCPALATVLEF-UHFFFAOYSA-N 0 0 447.929 7.033 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)Nc3cccc(F)c3)c3nc4ccccc4nc32)cc1C ZINC000002290448 569267932 /nfs/dbraw/zinc/26/79/32/569267932.db2.gz PAONLDPATJDSFO-UHFFFAOYSA-N 0 0 425.467 5.164 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc32)cc1 ZINC000002291126 569267939 /nfs/dbraw/zinc/26/79/39/569267939.db2.gz DQQBDPUATNJCGG-UHFFFAOYSA-N 0 0 427.895 5.370 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 ZINC000002292059 569268012 /nfs/dbraw/zinc/26/80/12/569268012.db2.gz KKBILTCNWDQHBG-HNNXBMFYSA-N 0 0 428.623 5.863 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc32)cc1C ZINC000002291491 569268040 /nfs/dbraw/zinc/26/80/40/569268040.db2.gz DHLFNPZVQSVZMF-UHFFFAOYSA-N 0 0 441.922 5.678 50 0 IKAARN Clc1ccc2c(c1)N[C@@]1(c3ccccc3)c3ccc(Cl)cc3N[C@@]21c1ccccc1 ZINC000002293650 569268132 /nfs/dbraw/zinc/26/81/32/569268132.db2.gz RZWIURJMIWZPHK-UIOOFZCWSA-N 0 0 429.350 7.032 50 0 IKAARN COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)[C@H](C)CCC4)cc1 ZINC000002294036 569268165 /nfs/dbraw/zinc/26/81/65/569268165.db2.gz UHLYIAFCCLDNLS-MRXNPFEDSA-N 0 0 448.613 6.188 50 0 IKAARN CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000002293629 569268168 /nfs/dbraw/zinc/26/81/68/569268168.db2.gz UVQJQSGKBQDFKG-UHFFFAOYSA-N 0 0 437.952 6.161 50 0 IKAARN Cn1c2nnc(SCc3ccccc3)n2c2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002292430 569268243 /nfs/dbraw/zinc/26/82/43/569268243.db2.gz HKBSCKUBGZACEN-HNNXBMFYSA-N 0 0 438.622 5.086 50 0 IKAARN O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc2ccccc2c1 ZINC000002297329 569268369 /nfs/dbraw/zinc/26/83/69/569268369.db2.gz AQMRFRIABRCJBE-RUZDIDTESA-N 0 0 430.507 5.890 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc(Cl)cc1 ZINC000002298492 569268379 /nfs/dbraw/zinc/26/83/79/569268379.db2.gz KOAJFYDTOHBNJU-DEOSSOPVSA-N 0 0 444.922 5.723 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)c4cccc(Br)c4)c(N)c3cc2C(=O)C1 ZINC000002299175 569268418 /nfs/dbraw/zinc/26/84/18/569268418.db2.gz OFRHOLFJGTUGKT-UHFFFAOYSA-N 0 0 429.339 5.027 50 0 IKAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000002296091 569268559 /nfs/dbraw/zinc/26/85/59/569268559.db2.gz LWANXKBOICVAER-XMMPIXPASA-N 0 0 440.568 5.345 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002299287 569268577 /nfs/dbraw/zinc/26/85/77/569268577.db2.gz HRALUCLEWHJLJE-UHFFFAOYSA-N 0 0 430.617 6.468 50 0 biogenic IKAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 ZINC000239030912 569268704 /nfs/dbraw/zinc/26/87/04/569268704.db2.gz COHHINVPZAHRJL-CODAWKSHSA-N 0 0 449.547 5.504 50 0 biogenic IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000239310144 569268719 /nfs/dbraw/zinc/26/87/19/569268719.db2.gz IFRMSTLSNACFMZ-IAPPQJPRSA-N 0 0 436.942 7.249 50 0 IKAARN CCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cc2ccc(NC(=O)[C@H]3C[C@@H]3CCCC)cc2)cc1 ZINC000239331280 569268735 /nfs/dbraw/zinc/26/87/35/569268735.db2.gz KKKBEGWHBISOTA-HSWFVFMJSA-N 0 0 446.635 6.807 50 0 IKAARN CCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Cc2ccc(NC(=O)[C@H]3C[C@H]3CCCC)cc2)cc1 ZINC000239331279 569268746 /nfs/dbraw/zinc/26/87/46/569268746.db2.gz KKKBEGWHBISOTA-CIMSBJEKSA-N 0 0 446.635 6.807 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000239308986 569268750 /nfs/dbraw/zinc/26/87/50/569268750.db2.gz HCPSIQYAGJBZPL-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccccc2)cc1 ZINC000239274963 569268785 /nfs/dbraw/zinc/26/87/85/569268785.db2.gz AZTUEGNRIIFWSD-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]2C1 ZINC000239402514 569268861 /nfs/dbraw/zinc/26/88/61/569268861.db2.gz QTCJFMOFDDJBDD-JLZZUVOBSA-N 0 0 432.303 5.138 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)c1 ZINC000239339098 569268863 /nfs/dbraw/zinc/26/88/63/569268863.db2.gz LROVZOAGPFJGQA-UNMCSNQZSA-N 0 0 436.309 5.095 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc3cccnc31)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239415213 569268879 /nfs/dbraw/zinc/26/88/79/569268879.db2.gz TZTZHUYTZKHNCN-NLJWQWLVSA-N 0 0 430.507 5.478 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H](O)C(C)(C)C ZINC000239347166 569268881 /nfs/dbraw/zinc/26/88/81/569268881.db2.gz MFXRPKFYWKDYMI-LRXBQIHJSA-N 0 0 444.637 7.499 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)c1 ZINC000239339097 569268903 /nfs/dbraw/zinc/26/89/03/569268903.db2.gz LROVZOAGPFJGQA-IRLDBZIGSA-N 0 0 436.309 5.095 50 0 IKAARN Cc1cccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000239425725 569268908 /nfs/dbraw/zinc/26/89/08/569268908.db2.gz VCKMBHWNGBOGEH-TWJOJJKGSA-N 0 0 434.495 5.199 50 0 IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000239761234 569269009 /nfs/dbraw/zinc/26/90/09/569269009.db2.gz CJFLULRJZIXYBT-QGZVFWFLSA-N 0 0 427.504 5.305 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000239433537 569269028 /nfs/dbraw/zinc/26/90/28/569269028.db2.gz XWMXZPAYTYZFRU-NQIIRXRSSA-N 0 0 441.350 5.762 50 0 IKAARN CC(C)Oc1cccc([C@H](Nc2ccc(OCc3noc(C4CC4)n3)cc2)C(F)F)c1 ZINC000241157234 569269036 /nfs/dbraw/zinc/26/90/36/569269036.db2.gz JVYIQKZCUWCMJQ-NRFANRHFSA-N 0 0 429.467 5.732 50 0 IKAARN C[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000239434046 569269052 /nfs/dbraw/zinc/26/90/52/569269052.db2.gz YXOHRYLHCVUPMD-UBBRYJJRSA-N 0 0 442.648 6.359 50 0 IKAARN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000241401080 569269082 /nfs/dbraw/zinc/26/90/82/569269082.db2.gz NBAFJOBNCOROPQ-FOZNTRSISA-N 0 0 433.807 5.237 50 0 IKAARN Cc1cc(N[C@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(Cl)(Cl)Cl)no1 ZINC000239433967 569269085 /nfs/dbraw/zinc/26/90/85/569269085.db2.gz YUUIRIHCCSBENU-CQROYNQRSA-N 0 0 426.772 5.278 50 0 IKAARN O=C(Nc1cccc(-c2noc(C(F)F)n2)c1)c1occc1CSc1ccccc1 ZINC000242305023 569269122 /nfs/dbraw/zinc/26/91/22/569269122.db2.gz YUCDHCIMYRHPIO-UHFFFAOYSA-N 0 0 427.432 5.812 50 0 IKAARN Cc1ccc2c(c1)nc(Nc1ccc(C(=O)Nc3ccccc3)cc1)nc2-c1ccccc1 ZINC000242038592 569269134 /nfs/dbraw/zinc/26/91/34/569269134.db2.gz VMJJZRZLUGHHPY-UHFFFAOYSA-N 0 0 430.511 6.601 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000242543301 569269185 /nfs/dbraw/zinc/26/91/85/569269185.db2.gz JVRUDYNTKOCRNP-ZHLXYZSNSA-N 0 0 436.592 6.107 50 0 IKAARN COc1ccc(OC)c(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3F)C2)c1 ZINC000241923307 569269187 /nfs/dbraw/zinc/26/91/87/569269187.db2.gz UEVJICQAJKDAJI-JOCHJYFZSA-N 0 0 438.886 5.488 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000242324436 569269203 /nfs/dbraw/zinc/26/92/03/569269203.db2.gz ZBGFAOCRDSWENG-CDLYNWKESA-N 0 0 440.605 6.067 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)c2cccs2)c1 ZINC000245226185 569269398 /nfs/dbraw/zinc/26/93/98/569269398.db2.gz JYQQAGGPXAPCLP-RRQZXNHTSA-N 0 0 449.572 6.163 50 0 IKAARN CC(C)[C@H](O)[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000244983841 569269434 /nfs/dbraw/zinc/26/94/34/569269434.db2.gz ITBZCTBEJMCLOU-XRBHAZFXSA-N 0 0 430.610 7.109 50 0 IKAARN COc1cc([C@@H]2O[C@@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 ZINC000245240246 569269544 /nfs/dbraw/zinc/26/95/44/569269544.db2.gz OEDFWOKQVJHDQD-PYHHMDQSSA-N 0 0 444.527 6.149 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000245237994 569269552 /nfs/dbraw/zinc/26/95/52/569269552.db2.gz BPXVUADICNNCFX-KCWPFWIISA-N 0 0 428.532 6.070 50 0 IKAARN C[C@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@@H]1[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245238286 569269556 /nfs/dbraw/zinc/26/95/56/569269556.db2.gz IRKARXPTWCTTMK-KPARNRDPSA-N 0 0 425.572 6.006 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)c1 ZINC000245238062 569269567 /nfs/dbraw/zinc/26/95/67/569269567.db2.gz FALZVJTVHZYOMC-UNMCSNQZSA-N 0 0 436.309 5.095 50 0 IKAARN C[C@H](NC(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)c1ccccc1 ZINC000245231312 569269572 /nfs/dbraw/zinc/26/95/72/569269572.db2.gz BJGAFGXADZUOAB-JQFCIGGWSA-N 0 0 448.876 5.688 50 0 IKAARN 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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]3[C@H](O)C[C@H]2C1 ZINC000257356765 569280856 /nfs/dbraw/zinc/28/08/56/569280856.db2.gz KDJPNDQOTCHXMI-CIAGFWOUSA-N 0 0 446.716 7.010 50 0 IKAARN 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]3[C@H](O)C[C@H]2C1 ZINC000257356766 569280863 /nfs/dbraw/zinc/28/08/63/569280863.db2.gz KDJPNDQOTCHXMI-CYEICOITSA-N 0 0 446.716 7.010 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=C(C)C[C@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000257358020 569280956 /nfs/dbraw/zinc/28/09/56/569280956.db2.gz RHCMLATVDLNRMC-XDKOGBTOSA-N 0 0 430.585 5.162 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H]1[C@@H]([Si](C)(C)C)C1(c1ccccc1)c1ccccc1 ZINC000257358518 569280960 /nfs/dbraw/zinc/28/09/60/569280960.db2.gz UYFKPUBFKFZHOF-PLYVDKPMSA-N 0 0 448.723 7.315 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257358990 569280964 /nfs/dbraw/zinc/28/09/64/569280964.db2.gz XUGISPSHIFXEHZ-BUBKSLACSA-N 0 0 428.701 7.960 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C(C)(C)C)cc1 ZINC000002347950 569281045 /nfs/dbraw/zinc/28/10/45/569281045.db2.gz LZWCYGDBZKATMC-UHFFFAOYSA-N 0 0 442.559 5.757 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2F)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000002346235 569281087 /nfs/dbraw/zinc/28/10/87/569281087.db2.gz LAHHMFHRVNTQOV-UHFFFAOYSA-N 0 0 429.329 5.920 50 0 IKAARN CCc1nc2sc3c(c2c(SCC(=O)c2ccc(Cl)cc2)n1)CC(C)(C)OC3 ZINC000002347128 569281091 /nfs/dbraw/zinc/28/10/91/569281091.db2.gz FIVCFGBYLFLBSI-UHFFFAOYSA-N 0 0 432.998 5.733 50 0 IKAARN Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)n1 ZINC000002347139 569281096 /nfs/dbraw/zinc/28/10/96/569281096.db2.gz OGXOKMDVQHGPKK-UHFFFAOYSA-N 0 0 438.314 5.984 50 0 IKAARN Cc1nc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1-c1ccc(OC(F)F)cc1 ZINC000261490635 569282148 /nfs/dbraw/zinc/28/21/48/569282148.db2.gz RBHICQKTQKNRCD-UHFFFAOYSA-N 0 0 446.763 5.102 50 0 IKAARN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000263639792 569282399 /nfs/dbraw/zinc/28/23/99/569282399.db2.gz IYSNUAQWJLFDPC-UHFFFAOYSA-N 0 0 428.785 5.295 50 0 IKAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC ZINC000002350903 569282716 /nfs/dbraw/zinc/28/27/16/569282716.db2.gz NSFFWRVOFUAWGO-UHFFFAOYSA-N 0 0 443.503 5.003 50 0 IKAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 ZINC000002351962 569282819 /nfs/dbraw/zinc/28/28/19/569282819.db2.gz NNBTUZPXORFJMZ-UHFFFAOYSA-N 0 0 442.389 5.183 50 0 IKAARN 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)[C@H]2O ZINC000253497851 569283263 /nfs/dbraw/zinc/28/32/63/569283263.db2.gz QUYCEUJYTAJEMW-UFFSGWQDSA-N 0 0 448.569 6.463 50 0 IKAARN C=c1c(Cl)c(C)[nH]c(=O)c1=C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1 ZINC000253496589 569283327 /nfs/dbraw/zinc/28/33/27/569283327.db2.gz TUTGNFLTQVAITE-UHFFFAOYSA-N 0 0 439.946 6.031 50 0 IKAARN c1nn(-c2ccccc2)cc1CN1CC[C@@H](c2ccc3c(c2)OCO3)Sc2ccccc21 ZINC000299799864 569283655 /nfs/dbraw/zinc/28/36/55/569283655.db2.gz VBDDPQJHFXMUAT-VWLOTQADSA-N 0 0 441.556 5.845 50 0 IKAARN CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253506185 569283746 /nfs/dbraw/zinc/28/37/46/569283746.db2.gz XRPYRCCVSZYAQT-KXOATCHYSA-N 0 0 428.657 6.893 50 0 IKAARN O=c1[nH]c2ccccc2cc1C=NNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000253618261 569284417 /nfs/dbraw/zinc/28/44/17/569284417.db2.gz BXODHCGWTZBGSM-UHFFFAOYSA-N 0 0 425.879 5.650 50 0 IKAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000253623812 569284530 /nfs/dbraw/zinc/28/45/30/569284530.db2.gz MYEZOFKRGIJBLD-IBGZPJMESA-N 0 0 449.462 5.463 50 0 biogenic IKAARN CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccs3)sc2c1 ZINC000002352965 569284580 /nfs/dbraw/zinc/28/45/80/569284580.db2.gz QBNYOJCNVDGMMD-HXUWFJFHSA-N 0 0 444.537 5.776 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccccc2)cc1 ZINC000002353978 569285870 /nfs/dbraw/zinc/28/58/70/569285870.db2.gz UQSBUOWJUBSTGJ-UHFFFAOYSA-N 0 0 445.906 5.122 50 0 IKAARN CCCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4 ZINC000002356217 569285932 /nfs/dbraw/zinc/28/59/32/569285932.db2.gz OLDCQPMWXOVQCY-FQEVSTJZSA-N 0 0 436.672 5.975 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1Br ZINC000002355934 569286037 /nfs/dbraw/zinc/28/60/37/569286037.db2.gz HQPCPTZZILDKQD-UHFFFAOYSA-N 0 0 438.281 5.303 50 0 IKAARN Cc1cccc(NC(=O)c2c(N)n(CCc3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002361173 569286847 /nfs/dbraw/zinc/28/68/47/569286847.db2.gz XRNCHFJUFZATPK-UHFFFAOYSA-N 0 0 439.494 5.109 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 ZINC000002360288 569286869 /nfs/dbraw/zinc/28/68/69/569286869.db2.gz PTPYUTFVMLPNQL-QGZVFWFLSA-N 0 0 440.678 6.799 50 0 IKAARN Cc1ccc([C@@H](Nc2ccccc2)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1 ZINC000002361797 569287617 /nfs/dbraw/zinc/28/76/17/569287617.db2.gz FKURNLGZJPIJHL-SANMLTNESA-N 0 0 441.552 7.997 50 0 IKAARN Cc1ccc(-c2nc3cc(Cc4ccc5oc(-c6ccc(C)cc6)nc5c4)ccc3o2)cc1 ZINC000002363633 569287836 /nfs/dbraw/zinc/28/78/36/569287836.db2.gz YMKAEZXYEUFDSH-UHFFFAOYSA-N 0 0 430.507 7.511 50 0 IKAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)C2CCCCC2)cc1 ZINC000002365625 569288338 /nfs/dbraw/zinc/28/83/38/569288338.db2.gz SWMVRFULICUROO-UHFFFAOYSA-N 0 0 431.536 5.044 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000002364894 569288378 /nfs/dbraw/zinc/28/83/78/569288378.db2.gz OIGFAJHJFDMGMS-UHFFFAOYSA-N 0 0 448.617 5.576 50 0 IKAARN Fc1ccccc1-c1nc2cc(Cc3ccc4oc(-c5ccccc5F)nc4c3)ccc2o1 ZINC000002369845 569288797 /nfs/dbraw/zinc/28/87/97/569288797.db2.gz PGCHAOBBDBPMIQ-UHFFFAOYSA-N 0 0 438.433 7.172 50 0 IKAARN CCCCCCn1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002370005 569288807 /nfs/dbraw/zinc/28/88/07/569288807.db2.gz BPZWCLKMEQKMGE-UHFFFAOYSA-N 0 0 442.972 5.233 50 0 IKAARN CCCCCSc1nnc2c3c(nc(SCC)n12)-c1ccccc1CC31CCCC1 ZINC000002369141 569288822 /nfs/dbraw/zinc/28/88/22/569288822.db2.gz QTRXTIZMTWRSNW-UHFFFAOYSA-N 0 0 438.666 6.554 50 0 IKAARN CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000002371303 569288982 /nfs/dbraw/zinc/28/89/82/569288982.db2.gz MWFOKAYITOYHQX-AYWVHJORSA-N 0 0 442.927 6.547 50 0 IKAARN CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000002371299 569288983 /nfs/dbraw/zinc/28/89/83/569288983.db2.gz HAVDDOKQPHFPFA-IHLOFXLRSA-N 0 0 433.595 7.193 50 0 IKAARN CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000002371298 569289015 /nfs/dbraw/zinc/28/90/15/569289015.db2.gz MWFOKAYITOYHQX-NGQVCNFZSA-N 0 0 442.927 6.547 50 0 IKAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253532897 569289081 /nfs/dbraw/zinc/28/90/81/569289081.db2.gz FDKJNVMJOZNFQP-NKZZTDCESA-N 0 0 430.629 6.086 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SCCC(C)C)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000002372452 569289225 /nfs/dbraw/zinc/28/92/25/569289225.db2.gz KYHGPBBUFUSHTR-XMMPIXPASA-N 0 0 442.650 5.886 50 0 IKAARN CC(C)Oc1ccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3Cl)n2)cc1 ZINC000002372908 569289228 /nfs/dbraw/zinc/28/92/28/569289228.db2.gz NTKIBSPICWXENS-UHFFFAOYSA-N 0 0 425.315 7.183 50 0 IKAARN Cc1ccccc1CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000002373470 569289230 /nfs/dbraw/zinc/28/92/30/569289230.db2.gz HQTDFBUWKOUYSX-IBGZPJMESA-N 0 0 425.554 5.479 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SCCC(C)C)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000002372450 569289249 /nfs/dbraw/zinc/28/92/49/569289249.db2.gz KYHGPBBUFUSHTR-DEOSSOPVSA-N 0 0 442.650 5.886 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1cc(Cl)ccc1Cl ZINC000002375480 569289329 /nfs/dbraw/zinc/28/93/29/569289329.db2.gz IOITZBGGHNPRDC-UHFFFAOYSA-N 0 0 445.733 6.103 50 0 IKAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 ZINC000002374947 569289332 /nfs/dbraw/zinc/28/93/32/569289332.db2.gz HDHHGMYOPCSRJB-IAGOWNOFSA-N 0 0 430.552 5.872 50 0 IKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000002376620 569289381 /nfs/dbraw/zinc/28/93/81/569289381.db2.gz JEXJBHFCWMCYBU-UHFFFAOYSA-N 0 0 428.488 5.950 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)C3CCCCC3)cc2oc1C(F)(F)F ZINC000002377571 569289519 /nfs/dbraw/zinc/28/95/19/569289519.db2.gz SVGKFBZJIACXMO-UHFFFAOYSA-N 0 0 446.421 5.973 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 ZINC000002379049 569289671 /nfs/dbraw/zinc/28/96/71/569289671.db2.gz GCUTYSNTAPOCJI-UHFFFAOYSA-N 0 0 427.895 5.370 50 0 IKAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000002378984 569289727 /nfs/dbraw/zinc/28/97/27/569289727.db2.gz NQFDGJSUAALRNH-HNNXBMFYSA-N 0 0 429.945 5.766 50 0 IKAARN O=C(c1cc2ccccc2s1)N1CCC(c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000008855372 569291233 /nfs/dbraw/zinc/29/12/33/569291233.db2.gz TUHKZMYQHTVMHF-UHFFFAOYSA-N 0 0 437.568 6.464 50 0 IKAARN O=S(=O)(c1cnn(-c2cc(Cl)ccc2Cl)c1-c1ccc(F)cc1)c1ccccc1 ZINC000008855274 569291238 /nfs/dbraw/zinc/29/12/38/569291238.db2.gz GHAXPHROANYBAK-UHFFFAOYSA-N 0 0 447.318 5.818 50 0 IKAARN Clc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Cl)cc2Cl)cc1 ZINC000008855388 569291321 /nfs/dbraw/zinc/29/13/21/569291321.db2.gz QJXPCNMHVGAUEY-UHFFFAOYSA-N 0 0 438.141 6.946 50 0 IKAARN O=C(c1oc2ccccc2c1C[S@@](=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008857019 569291344 /nfs/dbraw/zinc/29/13/44/569291344.db2.gz NOUGAEKQDCROGD-NDEPHWFRSA-N 0 0 429.324 6.278 50 0 IKAARN Fc1ccc(Cn2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)cc1 ZINC000008857178 569291393 /nfs/dbraw/zinc/29/13/93/569291393.db2.gz JCRGKNZROKYIAK-UHFFFAOYSA-N 0 0 427.306 6.623 50 0 IKAARN O=C(O[C@H](CSc1nccn1-c1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000008857265 569291445 /nfs/dbraw/zinc/29/14/45/569291445.db2.gz DCWQDMHWRYXWRY-MRXNPFEDSA-N 0 0 426.847 5.406 50 0 IKAARN Cc1c(Cl)cccc1-n1nc(-c2nc(-c3cccc(Cl)c3)no2)c2ccccc2c1=O ZINC000008857161 569291448 /nfs/dbraw/zinc/29/14/48/569291448.db2.gz LJJFPQLADOKZON-UHFFFAOYSA-N 0 0 449.297 5.718 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccc(Cl)cc1Cl ZINC000008857075 569291483 /nfs/dbraw/zinc/29/14/83/569291483.db2.gz QMUBPUNTSJYSRN-UHFFFAOYSA-N 0 0 439.751 6.942 50 0 IKAARN Cc1c(Cl)cccc1-n1nc(-c2nc(-c3ccccc3Cl)no2)c2ccccc2c1=O ZINC000008857162 569291485 /nfs/dbraw/zinc/29/14/85/569291485.db2.gz BNELGGLCSHKHLP-UHFFFAOYSA-N 0 0 449.297 5.718 50 0 IKAARN Cn1c2ccccc2c(C(=O)Nc2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 ZINC000008857349 569291530 /nfs/dbraw/zinc/29/15/30/569291530.db2.gz CTBIPZMHKKPFEP-UHFFFAOYSA-N 0 0 427.356 6.889 50 0 IKAARN CSc1nc2cc(Cl)ccc2c(=O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000008873345 569291679 /nfs/dbraw/zinc/29/16/79/569291679.db2.gz CZPXKKWDNPBDRF-UHFFFAOYSA-N 0 0 429.756 5.855 50 0 IKAARN CCOC(=O)C1C(C)=Nc2c(cnn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000008873386 569291720 /nfs/dbraw/zinc/29/17/20/569291720.db2.gz DSOFUOUMMAYACG-FQEVSTJZSA-N 0 0 428.319 5.574 50 0 IKAARN O=C1Nc2ccccc2/C1=C\c1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc21 ZINC000008873615 569291791 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ZINC000002426155 569302475 /nfs/dbraw/zinc/30/24/75/569302475.db2.gz JCBUYVBSZVAROU-UHFFFAOYSA-N 0 0 432.998 5.695 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NCc1ccco1 ZINC000002424818 569302498 /nfs/dbraw/zinc/30/24/98/569302498.db2.gz GNXLXKBKEVJMIJ-UHFFFAOYSA-N 0 0 432.505 5.556 50 0 IKAARN CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccc(Cl)cc1)n3CCCC2 ZINC000002426265 569302537 /nfs/dbraw/zinc/30/25/37/569302537.db2.gz VKJVDKMPRZKDGJ-UHFFFAOYSA-N 0 0 437.370 7.311 50 0 IKAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002426603 569302635 /nfs/dbraw/zinc/30/26/35/569302635.db2.gz LZMZNQMMORDTJC-OAQYLSRUSA-N 0 0 446.528 5.405 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3NC[C@H]3CCCO3)c2c2c1CCC2 ZINC000002426657 569302661 /nfs/dbraw/zinc/30/26/61/569302661.db2.gz HUQHZUQFNQNUAV-CYBMUJFWSA-N 0 0 428.627 5.384 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1N[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000002428024 569302756 /nfs/dbraw/zinc/30/27/56/569302756.db2.gz PBBMYWUTIMTANX-IBGZPJMESA-N 0 0 438.530 5.230 50 0 IKAARN Cc1c2c3cc(-c4ccc(Cl)c(Cl)c4)cn3nc(C)c2c(C)n1-c1ccc(C)cc1 ZINC000002430902 569303268 /nfs/dbraw/zinc/30/32/68/569303268.db2.gz QRYBHNOCSFIWON-UHFFFAOYSA-N 0 0 434.370 7.486 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c12 ZINC000011990628 569303436 /nfs/dbraw/zinc/30/34/36/569303436.db2.gz VUIPXLQGLLOWFK-KRWDZBQOSA-N 0 0 445.544 5.079 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000002432507 569303475 /nfs/dbraw/zinc/30/34/75/569303475.db2.gz QZWOKBJRLKRFNQ-VWLOTQADSA-N 0 0 439.511 5.206 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccs2)c1NC(=O)c1cccc(Br)c1 ZINC000002434150 569303572 /nfs/dbraw/zinc/30/35/72/569303572.db2.gz MSWZXMATQZRMDX-UHFFFAOYSA-N 0 0 439.334 5.282 50 0 IKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccccc1Cl ZINC000002434234 569303589 /nfs/dbraw/zinc/30/35/89/569303589.db2.gz PMYLYZQPNBIQEH-UHFFFAOYSA-N 0 0 437.326 6.248 50 0 IKAARN CCCCn1cc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000002436398 569303827 /nfs/dbraw/zinc/30/38/27/569303827.db2.gz CBBRMVMRGSPZJN-SFHVURJKSA-N 0 0 425.326 5.251 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c(C)c1 ZINC000002438892 569303992 /nfs/dbraw/zinc/30/39/92/569303992.db2.gz XYVRKMORVGYQSH-KRWDZBQOSA-N 0 0 448.589 5.029 50 0 IKAARN COc1ccc(CCNc2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)cc1OC ZINC000002442682 569304253 /nfs/dbraw/zinc/30/42/53/569304253.db2.gz LAUMJPCKEQTEKJ-UHFFFAOYSA-N 0 0 430.552 5.366 50 0 IKAARN Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)nc3C2)cc1 ZINC000002441837 569304265 /nfs/dbraw/zinc/30/42/65/569304265.db2.gz KIAPRSQZCXOUHB-QHCPKHFHSA-N 0 0 433.511 5.617 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1C ZINC000012388761 569304267 /nfs/dbraw/zinc/30/42/67/569304267.db2.gz LUVFUCZJSKJXDQ-UHFFFAOYSA-N 0 0 440.572 5.659 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1ccccc1F ZINC000002444951 569304361 /nfs/dbraw/zinc/30/43/61/569304361.db2.gz URTWEJAGGCXOFI-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN CC1(C)Cc2nc3sc4c(ncnc4NCC4(c5ccccc5)CCCC4)c3cc2CO1 ZINC000002444332 569304365 /nfs/dbraw/zinc/30/43/65/569304365.db2.gz UKAPPFWNNZDUMN-UHFFFAOYSA-N 0 0 444.604 6.015 50 0 IKAARN CCc1ccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000002445774 569304386 /nfs/dbraw/zinc/30/43/86/569304386.db2.gz CHYRZCFWFRQOGZ-UHFFFAOYSA-N 0 0 432.571 6.910 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c(C)c1 ZINC000002446857 569304526 /nfs/dbraw/zinc/30/45/26/569304526.db2.gz SCUCGVQRKKSELB-UHFFFAOYSA-N 0 0 437.956 5.125 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2OC(C)C)cc1 ZINC000002447846 569304583 /nfs/dbraw/zinc/30/45/83/569304583.db2.gz LGSSDTJERWRWIM-UHFFFAOYSA-N 0 0 444.531 5.328 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)c(Cl)c1 ZINC000002448580 569304590 /nfs/dbraw/zinc/30/45/90/569304590.db2.gz AYFZXAFCPZOAQU-UHFFFAOYSA-N 0 0 439.766 5.030 50 0 IKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1Cl ZINC000012575159 569304602 /nfs/dbraw/zinc/30/46/02/569304602.db2.gz OYZCFUUMFNOFKS-DRXLFAFDSA-N 0 0 448.717 8.505 50 0 IKAARN 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 ZINC000012656470 569304679 /nfs/dbraw/zinc/30/46/79/569304679.db2.gz PMBSWZWCNKVWLV-VBIIMOGYSA-N 0 0 442.684 7.139 50 0 biogenic IKAARN 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 ZINC000012656462 569304704 /nfs/dbraw/zinc/30/47/04/569304704.db2.gz PMBSWZWCNKVWLV-VZQQMNOUSA-N 0 0 442.684 7.139 50 0 biogenic IKAARN CCC(=O)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(Cl)c(Cl)c1)n3CCCC2 ZINC000002448801 569304706 /nfs/dbraw/zinc/30/47/06/569304706.db2.gz NVBZUWURANPDHI-UHFFFAOYSA-N 0 0 437.370 7.311 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccccc2)cc1 ZINC000002450035 569304856 /nfs/dbraw/zinc/30/48/56/569304856.db2.gz LWAMAVQHQUEOOU-UHFFFAOYSA-N 0 0 442.588 6.097 50 0 IKAARN CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2[C@@H]1CCOC(C)(C)C1 ZINC000002450767 569304967 /nfs/dbraw/zinc/30/49/67/569304967.db2.gz YBIDGXYEKMQCHB-IIBYNOLFSA-N 0 0 429.586 5.535 50 0 IKAARN CN(C)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000012949714 569305121 /nfs/dbraw/zinc/30/51/21/569305121.db2.gz JARLYIJTDNWYSQ-UHFFFAOYSA-N 0 0 428.923 5.782 50 0 IKAARN COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000012951145 569305178 /nfs/dbraw/zinc/30/51/78/569305178.db2.gz IYYOMKFMDIRGFH-UHFFFAOYSA-N 0 0 432.479 6.543 50 0 IKAARN Cc1ccc(-n2cc(C(=O)c3ccccc3OCc3cccc(C(F)(F)F)c3)cn2)cc1 ZINC000012955233 569305212 /nfs/dbraw/zinc/30/52/12/569305212.db2.gz TWWZRHZIYZVVBF-UHFFFAOYSA-N 0 0 436.433 6.010 50 0 IKAARN CSc1nc2c(cnn2-c2ccccc2)c(Oc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000012953181 569305213 /nfs/dbraw/zinc/30/52/13/569305213.db2.gz SYUPGBVHZYNVIA-UHFFFAOYSA-N 0 0 437.739 6.290 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC000012956763 569305332 /nfs/dbraw/zinc/30/53/32/569305332.db2.gz CTLHMSBCPBELCT-UHFFFAOYSA-N 0 0 431.266 6.312 50 0 IKAARN Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccc(Oc2ccccc2)cc1 ZINC000012955643 569305337 /nfs/dbraw/zinc/30/53/37/569305337.db2.gz OSSCUMYKLJYEEY-UHFFFAOYSA-N 0 0 446.816 5.191 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc(SCc3ccccc3)nc3ccsc32)c1 ZINC000012960132 569305441 /nfs/dbraw/zinc/30/54/41/569305441.db2.gz PTGGRZDTUGLCOR-UHFFFAOYSA-N 0 0 448.560 7.295 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000002453291 569305568 /nfs/dbraw/zinc/30/55/68/569305568.db2.gz HUEPXYXGATYGGT-UHFFFAOYSA-N 0 0 434.008 7.178 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 ZINC000012983998 569305852 /nfs/dbraw/zinc/30/58/52/569305852.db2.gz VOROQGBVPXFPAG-QHCPKHFHSA-N 0 0 429.545 5.749 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)n2)cc1 ZINC000012984446 569305867 /nfs/dbraw/zinc/30/58/67/569305867.db2.gz ZRUHKVUFJXRBAI-KRWDZBQOSA-N 0 0 437.565 5.192 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000002453726 569306134 /nfs/dbraw/zinc/30/61/34/569306134.db2.gz GJIWJQCQZSVHAJ-UHFFFAOYSA-N 0 0 444.347 5.162 50 0 IKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)o1 ZINC000013000944 569306137 /nfs/dbraw/zinc/30/61/37/569306137.db2.gz NCHYRAUADVKGOS-QZTJIDSGSA-N 0 0 429.442 5.563 50 0 IKAARN COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 ZINC000013006159 569306323 /nfs/dbraw/zinc/30/63/23/569306323.db2.gz UDEVPVDKAJSHIC-UHFFFAOYSA-N 0 0 429.320 5.171 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3ccccc3SC)cs2)cc(OC)c1 ZINC000013010346 569306843 /nfs/dbraw/zinc/30/68/43/569306843.db2.gz UBNTYGGCICSNNL-UHFFFAOYSA-N 0 0 446.619 5.356 50 0 IKAARN CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3ccc(OC)cc3)cs2)cc1 ZINC000013015249 569306997 /nfs/dbraw/zinc/30/69/97/569306997.db2.gz CHPBMNVTCSRQRO-HNNXBMFYSA-N 0 0 428.579 5.478 50 0 IKAARN Cc1ccc2c(COC(=O)C3C[C@H]4CCC[C@@H](C3)C43SCCS3)cc(=O)oc2c1 ZINC000013015570 569307146 /nfs/dbraw/zinc/30/71/46/569307146.db2.gz BLLHKZDYFGLQOF-ZNXRZULTSA-N 0 0 430.591 5.147 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013017415 569307162 /nfs/dbraw/zinc/30/71/62/569307162.db2.gz IBMYGUQJVCRODS-MQVJKMGUSA-N 0 0 440.030 5.133 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)Nc1ccccc1OC)cc2-c1ccccc1 ZINC000013017699 569307231 /nfs/dbraw/zinc/30/72/31/569307231.db2.gz INWJAOWQFLIKBG-UHFFFAOYSA-N 0 0 430.529 5.650 50 0 IKAARN CCCOc1ccc(NC(=O)NCC(=O)N[C@@H](CCC)c2ccccc2)cc1OCCC ZINC000013018876 569307280 /nfs/dbraw/zinc/30/72/80/569307280.db2.gz HTYFBHNVRHPVHV-NRFANRHFSA-N 0 0 441.572 5.043 50 0 IKAARN Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@H](c3ccccc3F)C2)cc1 ZINC000013027660 569307351 /nfs/dbraw/zinc/30/73/51/569307351.db2.gz JJAVNCYWRNYGMF-QFIPXVFZSA-N 0 0 437.312 5.888 50 0 IKAARN Cc1cc(C)c(NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)c(C)c1 ZINC000013028926 569307360 /nfs/dbraw/zinc/30/73/60/569307360.db2.gz VEHHDUKELBWTCV-UHFFFAOYSA-N 0 0 445.606 5.041 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2cccc(C)c2C)cc1Cl ZINC000013032132 569307509 /nfs/dbraw/zinc/30/75/09/569307509.db2.gz CYLLRVNBKAQTDL-RUZDIDTESA-N 0 0 449.982 5.516 50 0 IKAARN Cc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013040513 569308016 /nfs/dbraw/zinc/30/80/16/569308016.db2.gz SENXMCFHFNFWKD-JOCHJYFZSA-N 0 0 446.900 6.479 50 0 IKAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 ZINC000013039901 569308053 /nfs/dbraw/zinc/30/80/53/569308053.db2.gz ZDYKRHIASKSZHW-IBGZPJMESA-N 0 0 447.556 5.462 50 0 IKAARN S=c1n(CN2CCc3ccccc3C2)c2ccccc2n1CN1CCc2ccccc2C1 ZINC000013041564 569308126 /nfs/dbraw/zinc/30/81/26/569308126.db2.gz RIUJAGDSPMHRAS-UHFFFAOYSA-N 0 0 440.616 5.204 50 0 IKAARN CCc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000013056886 569308415 /nfs/dbraw/zinc/30/84/15/569308415.db2.gz BSPMPBMHMPDFSG-UHFFFAOYSA-N 0 0 442.437 5.538 50 0 IKAARN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000013059199 569308539 /nfs/dbraw/zinc/30/85/39/569308539.db2.gz PQWNWEOGDLTBHB-QHCPKHFHSA-N 0 0 436.577 5.047 50 0 IKAARN CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000013063139 569308662 /nfs/dbraw/zinc/30/86/62/569308662.db2.gz ZUSJLECPOCXGTI-IBGZPJMESA-N 0 0 444.531 5.097 50 0 IKAARN CCc1ccc([C@@H](C)NC(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)cc1 ZINC000013062865 569308664 /nfs/dbraw/zinc/30/86/64/569308664.db2.gz NWXVKJLIURRQPU-GOSISDBHSA-N 0 0 430.548 5.100 50 0 IKAARN COc1ccc(C)cc1NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000013063381 569308742 /nfs/dbraw/zinc/30/87/42/569308742.db2.gz NOSYKMWKOYZYRN-UHFFFAOYSA-N 0 0 435.911 5.224 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)OCCOc2ccc(Cl)cc2Cl)cc1 ZINC000013068280 569308778 /nfs/dbraw/zinc/30/87/78/569308778.db2.gz AIDSDYAOGKQVDH-UHFFFAOYSA-N 0 0 436.291 5.413 50 0 IKAARN CN(Cc1cccc(F)c1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013069208 569308906 /nfs/dbraw/zinc/30/89/06/569308906.db2.gz ZONNCXMGDBFDNJ-UHFFFAOYSA-N 0 0 438.959 5.952 50 0 IKAARN CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=S)CC1 ZINC000013070588 569308910 /nfs/dbraw/zinc/30/89/10/569308910.db2.gz UWXXYQOSDJCUTR-UHFFFAOYSA-N 0 0 433.408 6.066 50 0 IKAARN C[C@H](OC(=O)CCSc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013072308 569309032 /nfs/dbraw/zinc/30/90/32/569309032.db2.gz CJBWWOMMUYIIGT-ZDUSSCGKSA-N 0 0 448.516 5.141 50 0 IKAARN O=C(C=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)c1ccc[nH]1 ZINC000013073059 569309098 /nfs/dbraw/zinc/30/90/98/569309098.db2.gz NOLJRROZBCMHDH-OUKQBFOZSA-N 0 0 437.455 5.053 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1 ZINC000013073057 569309135 /nfs/dbraw/zinc/30/91/35/569309135.db2.gz LQNJOIPTNCFJKH-UHFFFAOYSA-N 0 0 431.355 5.759 50 0 IKAARN CC(C)n1c(-c2ccc(Cl)cc2Cl)nn(CN(C)Cc2ccc(F)cc2)c1=S ZINC000013073103 569309143 /nfs/dbraw/zinc/30/91/43/569309143.db2.gz PYRAZPUHHBKENS-UHFFFAOYSA-N 0 0 439.387 6.197 50 0 IKAARN CCOc1ccc(Oc2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000013074805 569309186 /nfs/dbraw/zinc/30/91/86/569309186.db2.gz ZQTXQRRYGQDZLO-UHFFFAOYSA-N 0 0 437.492 5.085 50 0 IKAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000013075256 569309271 /nfs/dbraw/zinc/30/92/71/569309271.db2.gz GLNQQINQDUPNQV-UHFFFAOYSA-N 0 0 433.458 5.413 50 0 IKAARN CC(C)Cn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F ZINC000013095489 569309416 /nfs/dbraw/zinc/30/94/16/569309416.db2.gz WMKITGXMTKUKGS-ASXFNGKXSA-N 0 0 441.616 6.006 50 0 IKAARN CCCN(Cc1ccc(OCC(C)C)c(OC)c1)C(=O)COc1ccc(Cl)cc1C ZINC000013096139 569309418 /nfs/dbraw/zinc/30/94/18/569309418.db2.gz WBUJPRISGMGZEF-UHFFFAOYSA-N 0 0 433.976 5.509 50 0 IKAARN Cn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCc1c(F)cccc1Cl ZINC000013095506 569309423 /nfs/dbraw/zinc/30/94/23/569309423.db2.gz XKMWPYORVFXYAL-UHFFFAOYSA-N 0 0 434.920 5.886 50 0 IKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)cc1 ZINC000013095973 569309485 /nfs/dbraw/zinc/30/94/85/569309485.db2.gz UWRDENWCRGEYOC-HNNXBMFYSA-N 0 0 428.579 5.121 50 0 IKAARN C[C@@H](Sc1nnc(SCc2cccc3ccccc32)s1)c1ccccc1Cl ZINC000013096994 569309538 /nfs/dbraw/zinc/30/95/38/569309538.db2.gz PGWASILARKONSW-CQSZACIVSA-N 0 0 429.035 7.490 50 0 IKAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc5c(c4)oc(=O)cc5C(F)(F)F)cc3c2C1 ZINC000013097572 569309825 /nfs/dbraw/zinc/30/98/25/569309825.db2.gz PQZIWNBHOWARDT-GFCCVEGCSA-N 0 0 441.405 5.637 50 0 IKAARN Cc1cc(OCC(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)ccc1C(C)C ZINC000013098254 569309892 /nfs/dbraw/zinc/30/98/92/569309892.db2.gz DBTSHSXHZCHQHF-HSZRJFAPSA-N 0 0 432.589 5.988 50 0 IKAARN CCOc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2cccc(OC)c2)cc1 ZINC000013098749 569309909 /nfs/dbraw/zinc/30/99/09/569309909.db2.gz IZGWCNPPMQSJJH-UHFFFAOYSA-N 0 0 447.560 5.513 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000013098600 569309917 /nfs/dbraw/zinc/30/99/17/569309917.db2.gz NFZUKWFCHQXLEK-UHFFFAOYSA-N 0 0 438.742 5.740 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCCCO2 ZINC000013098512 569309928 /nfs/dbraw/zinc/30/99/28/569309928.db2.gz LFQVTFRZLJLHCV-HSZRJFAPSA-N 0 0 425.912 5.888 50 0 IKAARN Cc1csc(N(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc2)n1 ZINC000013098494 569309938 /nfs/dbraw/zinc/30/99/38/569309938.db2.gz NYDUDBBCFSZAGM-UHFFFAOYSA-N 0 0 428.435 6.709 50 0 IKAARN CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccnc1Sc1ccccc1 ZINC000013098542 569309939 /nfs/dbraw/zinc/30/99/39/569309939.db2.gz ZKVZVMAXKWYPDK-UHFFFAOYSA-N 0 0 433.485 5.513 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4)cc3)n2)cc1 ZINC000013100807 569310008 /nfs/dbraw/zinc/31/00/08/569310008.db2.gz QSEPEHUUBHWHMK-UHFFFAOYSA-N 0 0 443.528 5.600 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000013100782 569310014 /nfs/dbraw/zinc/31/00/14/569310014.db2.gz UHDQCHNHQPJENK-LJQANCHMSA-N 0 0 428.579 5.468 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000013100783 569310021 /nfs/dbraw/zinc/31/00/21/569310021.db2.gz UHDQCHNHQPJENK-IBGZPJMESA-N 0 0 428.579 5.468 50 0 IKAARN COCc1c(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)sc2cccc(F)c21 ZINC000013099090 569310024 /nfs/dbraw/zinc/31/00/24/569310024.db2.gz YKTVIGAILQLALW-JOCHJYFZSA-N 0 0 443.540 5.475 50 0 IKAARN C[C@@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)c1ccc(OC(F)F)cc1 ZINC000013100784 569310049 /nfs/dbraw/zinc/31/00/49/569310049.db2.gz RQMJWAIJTWHGEA-CQSZACIVSA-N 0 0 429.444 5.262 50 0 IKAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000013109438 569310268 /nfs/dbraw/zinc/31/02/68/569310268.db2.gz FSEWBXHEGNUEBN-UHFFFAOYSA-N 0 0 447.387 5.477 50 0 IKAARN C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2ccccc2c1 ZINC000013109844 569310341 /nfs/dbraw/zinc/31/03/41/569310341.db2.gz LIKCXGPKMLQHMZ-QGZVFWFLSA-N 0 0 428.561 5.267 50 0 IKAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1Cc1ccccc1 ZINC000013110150 569310385 /nfs/dbraw/zinc/31/03/85/569310385.db2.gz UWDPZEZKKKGAAF-UHFFFAOYSA-N 0 0 440.572 5.466 50 0 IKAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000013112498 569310567 /nfs/dbraw/zinc/31/05/67/569310567.db2.gz MLMHDZBKCZRBEA-QHCPKHFHSA-N 0 0 440.572 5.997 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1 ZINC000013113075 569310614 /nfs/dbraw/zinc/31/06/14/569310614.db2.gz JRYOGFZPJRKEDU-UONOGXRCSA-N 0 0 425.485 5.502 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1C ZINC000013117040 569310854 /nfs/dbraw/zinc/31/08/54/569310854.db2.gz VWTMWLUOQHMKPX-MRXNPFEDSA-N 0 0 432.549 5.020 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)OCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013120182 569311029 /nfs/dbraw/zinc/31/10/29/569311029.db2.gz AMGWTGUUDMBQGI-UHFFFAOYSA-N 0 0 437.421 6.307 50 0 IKAARN COC(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 ZINC000013117279 569311037 /nfs/dbraw/zinc/31/10/37/569311037.db2.gz WMSSBJMLDFPUQQ-UHFFFAOYSA-N 0 0 431.513 5.905 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000013121313 569311159 /nfs/dbraw/zinc/31/11/59/569311159.db2.gz ZXUZWQPNUSLRMY-GFCCVEGCSA-N 0 0 444.969 5.311 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000002454491 569311275 /nfs/dbraw/zinc/31/12/75/569311275.db2.gz HCHZRBONHCQDRQ-CQSZACIVSA-N 0 0 430.357 5.741 50 0 IKAARN CCOc1ccc(C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1 ZINC000013138217 569311590 /nfs/dbraw/zinc/31/15/90/569311590.db2.gz WQOHLAASCKXGJE-AWEZNQCLSA-N 0 0 430.957 5.393 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)cc12 ZINC000013145484 569311925 /nfs/dbraw/zinc/31/19/25/569311925.db2.gz DIMCQRUUQGMYDH-UHFFFAOYSA-N 0 0 433.533 5.116 50 0 IKAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000013146501 569311948 /nfs/dbraw/zinc/31/19/48/569311948.db2.gz HJVMCZFCGSFDTF-UHFFFAOYSA-N 0 0 444.512 5.266 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013148259 569312058 /nfs/dbraw/zinc/31/20/58/569312058.db2.gz RKQLIQFTTSHNIK-JOCHJYFZSA-N 0 0 449.403 5.145 50 0 IKAARN CCOc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2)cc1 ZINC000013147756 569312076 /nfs/dbraw/zinc/31/20/76/569312076.db2.gz AANWSOALRUZNHP-UHFFFAOYSA-N 0 0 438.911 5.290 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccc(Cl)cc3Cl)c2n1 ZINC000013148744 569312137 /nfs/dbraw/zinc/31/21/37/569312137.db2.gz QKORQWDKGIVTQQ-UHFFFAOYSA-N 0 0 444.145 5.852 50 0 IKAARN Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013148901 569312168 /nfs/dbraw/zinc/31/21/68/569312168.db2.gz XXXTVSLJAFDGGC-UHFFFAOYSA-N 0 0 447.343 5.522 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4C(C)(C)C)c(=O)c23)s1 ZINC000013149576 569312248 /nfs/dbraw/zinc/31/22/48/569312248.db2.gz UTZZBWIVBNQJJM-UHFFFAOYSA-N 0 0 437.590 5.431 50 0 IKAARN Cc1cc(NC(=O)c2cccc(Oc3ccc4c(c3)OCO4)n2)n(-c2ccc(Cl)cc2)n1 ZINC000013150201 569312268 /nfs/dbraw/zinc/31/22/68/569312268.db2.gz IGRYEBNJVJWLNR-UHFFFAOYSA-N 0 0 448.866 5.002 50 0 IKAARN c1csc(-c2nnc(SCCCc3nc(-c4ccccc4)no3)n2-c2ccccc2)c1 ZINC000013150203 569312289 /nfs/dbraw/zinc/31/22/89/569312289.db2.gz ZSRPCQORLVNCCQ-UHFFFAOYSA-N 0 0 445.573 5.771 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)NCCc1ccccc1 ZINC000013283342 569312618 /nfs/dbraw/zinc/31/26/18/569312618.db2.gz IEJCEIOBYFTHAP-UHFFFAOYSA-N 0 0 442.632 5.342 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccc(F)cc1 ZINC000013283358 569312621 /nfs/dbraw/zinc/31/26/21/569312621.db2.gz FLJIYRWTVSXXHR-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2cccnc2)c1 ZINC000013283345 569312625 /nfs/dbraw/zinc/31/26/25/569312625.db2.gz ZONDVNBWCHUTNO-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013284039 569312701 /nfs/dbraw/zinc/31/27/01/569312701.db2.gz XRQWQERTXDEQFB-UHFFFAOYSA-N 0 0 446.281 5.929 50 0 IKAARN O=C(CC1CCCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456506 569312744 /nfs/dbraw/zinc/31/27/44/569312744.db2.gz FGLJFJYJVUVMCH-HSZRJFAPSA-N 0 0 441.369 5.290 50 0 IKAARN Cc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(Br)cc3)C2)o1 ZINC000013302780 569312809 /nfs/dbraw/zinc/31/28/09/569312809.db2.gz STVVEVRYXWFZSD-LJQANCHMSA-N 0 0 449.270 6.725 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002456703 569312881 /nfs/dbraw/zinc/31/28/81/569312881.db2.gz BDBLBWZNFTWIBV-OAQYLSRUSA-N 0 0 428.385 5.028 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1OC ZINC000013346772 569312909 /nfs/dbraw/zinc/31/29/09/569312909.db2.gz RLSOTYZQEULZIS-UHFFFAOYSA-N 0 0 439.924 6.278 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)ccc3OC)cc2)nc2ccccc21 ZINC000013348270 569313020 /nfs/dbraw/zinc/31/30/20/569313020.db2.gz XIIZBFHETJMVPU-UHFFFAOYSA-N 0 0 444.535 5.503 50 0 IKAARN O=C(NC[C@H]1CCCO1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC000013348013 569313024 /nfs/dbraw/zinc/31/30/24/569313024.db2.gz CFIWPQSDYYRWDV-HSZRJFAPSA-N 0 0 440.547 5.111 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc2ccccc21 ZINC000013348266 569313093 /nfs/dbraw/zinc/31/30/93/569313093.db2.gz CWHFIIXRJARLHX-UHFFFAOYSA-N 0 0 448.954 6.147 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1 ZINC000013348489 569313230 /nfs/dbraw/zinc/31/32/30/569313230.db2.gz CTSVDMFXFSQVQG-UHFFFAOYSA-N 0 0 446.554 6.763 50 0 IKAARN Cc1ccc(Cc2nnc(-c3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc3)o2)cc1 ZINC000013351237 569313320 /nfs/dbraw/zinc/31/33/20/569313320.db2.gz HLGZQDLRXJQEEU-UHFFFAOYSA-N 0 0 432.911 6.242 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000013353967 569313398 /nfs/dbraw/zinc/31/33/98/569313398.db2.gz HUXQDODLKAJMHD-UHFFFAOYSA-N 0 0 440.594 6.181 50 0 IKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)cc3F)c2)cs1 ZINC000013357964 569313701 /nfs/dbraw/zinc/31/37/01/569313701.db2.gz DENNIJSQZCOELL-UHFFFAOYSA-N 0 0 441.347 5.129 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4ccc(C)cc4C)ccc32)cc1 ZINC000013359644 569313911 /nfs/dbraw/zinc/31/39/11/569313911.db2.gz BVNRFBJGHCHOEI-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000013363012 569314087 /nfs/dbraw/zinc/31/40/87/569314087.db2.gz VVDLUXNLADEYJT-UHFFFAOYSA-N 0 0 429.545 5.930 50 0 IKAARN O=C(Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1)Nc1cccc(Cl)c1 ZINC000013361122 569314116 /nfs/dbraw/zinc/31/41/16/569314116.db2.gz SCKDBPAODSMLTK-UHFFFAOYSA-N 0 0 436.924 5.513 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000013363007 569314118 /nfs/dbraw/zinc/31/41/18/569314118.db2.gz OGSPYFNUMOSJRN-UHFFFAOYSA-N 0 0 433.508 5.761 50 0 IKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000013364276 569314159 /nfs/dbraw/zinc/31/41/59/569314159.db2.gz QWUIPILPEUJVQR-UHFFFAOYSA-N 0 0 440.551 5.238 50 0 IKAARN Cc1cc(Nc2ccc(Br)cc2)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 ZINC000013364712 569314201 /nfs/dbraw/zinc/31/42/01/569314201.db2.gz BXGCNSXMCPIISS-UHFFFAOYSA-N 0 0 438.373 5.407 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(SCc3nc4ccccc4nc3C)cc2)cc1C ZINC000013365413 569314232 /nfs/dbraw/zinc/31/42/32/569314232.db2.gz PUDZOEAPVYOEDF-UHFFFAOYSA-N 0 0 428.561 6.491 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC000013367069 569314334 /nfs/dbraw/zinc/31/43/34/569314334.db2.gz ALQVMLNQOZVYSK-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCc1ccccc1NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366298 569314347 /nfs/dbraw/zinc/31/43/47/569314347.db2.gz AJVXZMQULJBPTB-DEOSSOPVSA-N 0 0 430.573 5.146 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366373 569314358 /nfs/dbraw/zinc/31/43/58/569314358.db2.gz OJUKJUVWRULRME-QFIPXVFZSA-N 0 0 436.964 5.237 50 0 IKAARN COc1cc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc(OC)c1 ZINC000013369162 569314681 /nfs/dbraw/zinc/31/46/81/569314681.db2.gz KYHXSFNHSALDNF-OAHLLOKOSA-N 0 0 435.911 5.574 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013368951 569314687 /nfs/dbraw/zinc/31/46/87/569314687.db2.gz QJVCXTCVGZLNSB-UHFFFAOYSA-N 0 0 433.895 5.172 50 0 IKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1ccccc1Br ZINC000013368904 569314692 /nfs/dbraw/zinc/31/46/92/569314692.db2.gz MUBAWAUENNIAMZ-UHFFFAOYSA-N 0 0 440.728 5.758 50 0 IKAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369170 569314721 /nfs/dbraw/zinc/31/47/21/569314721.db2.gz IVQPWGFKBAOXDZ-OAHLLOKOSA-N 0 0 433.895 5.343 50 0 IKAARN COc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)CC(C)C)cc1 ZINC000013369921 569314831 /nfs/dbraw/zinc/31/48/31/569314831.db2.gz VHDIEXKYZZWKCY-YADHBBJMSA-N 0 0 436.600 5.565 50 0 biogenic IKAARN CC[C@H](C(=O)NCCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369366 569314835 /nfs/dbraw/zinc/31/48/35/569314835.db2.gz OMWBOENECJZDHQ-HSZRJFAPSA-N 0 0 431.967 6.057 50 0 IKAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1ccc2c(c1)OCO2 ZINC000013369459 569314841 /nfs/dbraw/zinc/31/48/41/569314841.db2.gz RYVRGHIMBOXKPK-UHFFFAOYSA-N 0 0 447.922 5.182 50 0 IKAARN O=C(C1CCCCC1)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369865 569314851 /nfs/dbraw/zinc/31/48/51/569314851.db2.gz PAWGDPPDHCKSSV-PKTZIBPZSA-N 0 0 432.612 6.090 50 0 biogenic IKAARN CC[C@@H](C(=O)NCCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369364 569314866 /nfs/dbraw/zinc/31/48/66/569314866.db2.gz OMWBOENECJZDHQ-QHCPKHFHSA-N 0 0 431.967 6.057 50 0 IKAARN Cc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)c2cccs2)cc1 ZINC000013369887 569314874 /nfs/dbraw/zinc/31/48/74/569314874.db2.gz BRRMLCKUADGYEW-RTWAWAEBSA-N 0 0 446.620 6.194 50 0 biogenic IKAARN O=C(C1CCCCC1)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370116 569314901 /nfs/dbraw/zinc/31/49/01/569314901.db2.gz IFFSBVNSKOYXED-PKTZIBPZSA-N 0 0 438.660 6.471 50 0 biogenic IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccs2)N(C(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000013370219 569314971 /nfs/dbraw/zinc/31/49/71/569314971.db2.gz QZKWYZXYRCHWBB-GOFCXKROSA-N 0 0 428.554 6.120 50 0 IKAARN O=C1O/C(=C\N2CCc3c4ccccc4[nH]c3[C@H]2[C@@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000013396081 569315328 /nfs/dbraw/zinc/31/53/28/569315328.db2.gz GCABLUGXOGQONP-LAPKEYJLSA-N 0 0 448.478 5.148 50 0 IKAARN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C(C)(C)Nc1ccccc1 ZINC000002461716 569316290 /nfs/dbraw/zinc/31/62/90/569316290.db2.gz GRCZQAAWAHSMGU-CMQXMCPJSA-N 0 0 444.410 6.628 50 0 IKAARN Clc1ccccc1OCc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)o1 ZINC000019298075 569317273 /nfs/dbraw/zinc/31/72/73/569317273.db2.gz MPYZMZXKPCNLRY-UHFFFAOYSA-N 0 0 439.320 5.409 50 0 IKAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000328596962 569317967 /nfs/dbraw/zinc/31/79/67/569317967.db2.gz BWRWYEOGJYVOFW-MHZLTWQESA-N 0 0 434.543 5.854 50 0 IKAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000328596675 569317976 /nfs/dbraw/zinc/31/79/76/569317976.db2.gz OLKLTAVQMQWDOG-UHFFFAOYSA-N 0 0 447.495 5.162 50 0 IKAARN CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1 ZINC000078698956 569318264 /nfs/dbraw/zinc/31/82/64/569318264.db2.gz WMOLOFFFDCNPFU-LJQANCHMSA-N 0 0 444.318 5.387 50 0 IKAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)Nc1ccc(F)c(F)c1F ZINC000078698477 569318273 /nfs/dbraw/zinc/31/82/73/569318273.db2.gz KCUPTGXKLBLZQB-UHFFFAOYSA-N 0 0 433.257 5.281 50 0 IKAARN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@@H]2c2c(Cl)cccc2Cl)cc1 ZINC000019330517 569318388 /nfs/dbraw/zinc/31/83/88/569318388.db2.gz BSAUBEQBEGNFMV-RUZDIDTESA-N 0 0 443.393 6.848 50 0 IKAARN COC(=O)c1ccc(C2N(Cc3ccc(F)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019330457 569318430 /nfs/dbraw/zinc/31/84/30/569318430.db2.gz ROKGJJZYABFUPN-UHFFFAOYSA-N 0 0 436.502 5.158 50 0 IKAARN COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2c(Cl)cccc2Cl)c1 ZINC000019330500 569318484 /nfs/dbraw/zinc/31/84/84/569318484.db2.gz GKEWLJJRNZCCMU-DEOSSOPVSA-N 0 0 445.365 6.158 50 0 IKAARN CSc1ccc([C@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)cc1 ZINC000019330552 569318549 /nfs/dbraw/zinc/31/85/49/569318549.db2.gz GNJFRDQTGGBCTI-RUZDIDTESA-N 0 0 441.015 6.608 50 0 IKAARN CCc1ccc([C@@H]2N(Cc3ccccc3C)CCCN2Cc2ccc(F)cc2Cl)cc1 ZINC000019330603 569318592 /nfs/dbraw/zinc/31/85/92/569318592.db2.gz UQJLROKQVHLPQH-HHHXNRCGSA-N 0 0 437.002 6.757 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c1 ZINC000078718333 569318596 /nfs/dbraw/zinc/31/85/96/569318596.db2.gz LAJXWCQLQBVGQQ-VQTJNVASSA-N 0 0 425.410 5.095 50 0 IKAARN Cc1ccc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c(Br)c1 ZINC000078814349 569319284 /nfs/dbraw/zinc/31/92/84/569319284.db2.gz YMQLJUMRFNKDCJ-QGZVFWFLSA-N 0 0 425.779 5.733 50 0 IKAARN Cc1ccc(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c(Br)c1 ZINC000078814357 569319319 /nfs/dbraw/zinc/31/93/19/569319319.db2.gz YMQLJUMRFNKDCJ-KRWDZBQOSA-N 0 0 425.779 5.733 50 0 IKAARN CCCc1nc([C@@H](NC(=O)c2ccc(C3SCCS3)cc2)c2ccccc2)no1 ZINC000078823504 569319438 /nfs/dbraw/zinc/31/94/38/569319438.db2.gz HLGSNLRHLQJALD-IBGZPJMESA-N 0 0 425.579 5.020 50 0 IKAARN Cc1nnc(-c2ccc(C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc3C)cc2)o1 ZINC000078899832 569320136 /nfs/dbraw/zinc/32/01/36/569320136.db2.gz SELTVIZLKQLEAE-UHFFFAOYSA-N 0 0 427.464 5.250 50 0 IKAARN Cc1csc(SCc2ccc(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)cc2)n1 ZINC000078960113 569320565 /nfs/dbraw/zinc/32/05/65/569320565.db2.gz OYINQKFJPCODSH-UHFFFAOYSA-N 0 0 443.619 5.608 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000013940098 569321311 /nfs/dbraw/zinc/32/13/11/569321311.db2.gz YDCRLAQQWBEVNA-AREMUKBSSA-N 0 0 433.935 5.471 50 0 IKAARN CCO[C@@H]1C[C@@H](NCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C12CCCCC2 ZINC000078989978 569321404 /nfs/dbraw/zinc/32/14/04/569321404.db2.gz IWTVFJOUHWPWNG-NHCUHLMSSA-N 0 0 448.032 5.699 50 0 IKAARN COc1cc(-c2nc(CSc3nnc(-c4ccc(C)cc4C)o3)cs2)ccc1O ZINC000078995328 569321618 /nfs/dbraw/zinc/32/16/18/569321618.db2.gz JSPDQCIYDWATGS-UHFFFAOYSA-N 0 0 425.535 5.483 50 0 IKAARN CCCCS[C@H](C)C(=O)Nc1cccc(F)c1CNC(=O)[C@H](C)SCCCC ZINC000079016002 569321968 /nfs/dbraw/zinc/32/19/68/569321968.db2.gz RTWDVFRSDOJFBT-JKSUJKDBSA-N 0 0 428.639 5.224 50 0 IKAARN CCCCS[C@H](C)C(=O)NCc1c(F)cccc1NC(=O)[C@@H](C)SCCCC ZINC000079016005 569322006 /nfs/dbraw/zinc/32/20/06/569322006.db2.gz RTWDVFRSDOJFBT-HZPDHXFCSA-N 0 0 428.639 5.224 50 0 IKAARN Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000079019511 569322358 /nfs/dbraw/zinc/32/23/58/569322358.db2.gz LJBXYEKDANUDGT-UHFFFAOYSA-N 0 0 429.520 5.666 50 0 IKAARN Cn1c(S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)nnc1-c1cccs1 ZINC000079024290 569322587 /nfs/dbraw/zinc/32/25/87/569322587.db2.gz OQIWSVKDIMLSHE-SFHVURJKSA-N 0 0 431.546 5.475 50 0 IKAARN C[C@H]1CSc2ccccc2N1C(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000079025184 569322850 /nfs/dbraw/zinc/32/28/50/569322850.db2.gz GQNQICHOSQGVFV-HNNXBMFYSA-N 0 0 433.558 5.656 50 0 IKAARN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000079026620 569322963 /nfs/dbraw/zinc/32/29/63/569322963.db2.gz DYDKWURQJLRDPZ-LJQANCHMSA-N 0 0 438.531 5.232 50 0 IKAARN O=C(Nc1cccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)c1)c1cccs1 ZINC000079047159 569323147 /nfs/dbraw/zinc/32/31/47/569323147.db2.gz WCNDABHISPCLJP-UHFFFAOYSA-N 0 0 440.955 7.536 50 0 IKAARN O=C(NCc1ncoc1-c1ccccc1)c1oc2ccccc2c1CSc1ncccn1 ZINC000079056256 569323692 /nfs/dbraw/zinc/32/36/92/569323692.db2.gz MOUMGJLUDMVGKU-UHFFFAOYSA-N 0 0 442.500 5.100 50 0 IKAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000019625005 569323764 /nfs/dbraw/zinc/32/37/64/569323764.db2.gz UAKNYQSPCCKKPL-UHFFFAOYSA-N 0 0 441.914 5.632 50 0 IKAARN Cc1nc2cc(N(C)C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)ccc2[nH]1 ZINC000079096852 569325399 /nfs/dbraw/zinc/32/53/99/569325399.db2.gz AHNHDMAKRGPTTL-UHFFFAOYSA-N 0 0 439.441 5.230 50 0 IKAARN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000079097979 569325420 /nfs/dbraw/zinc/32/54/20/569325420.db2.gz MMZGOMGPHDZXSM-NSHDSACASA-N 0 0 439.730 5.328 50 0 IKAARN CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000079105017 569325619 /nfs/dbraw/zinc/32/56/19/569325619.db2.gz MAEXOGUDZDPSRM-IBGZPJMESA-N 0 0 439.943 6.060 50 0 IKAARN O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000079110603 569326042 /nfs/dbraw/zinc/32/60/42/569326042.db2.gz HWDARVXSCHCIEF-PZJWPPBQSA-N 0 0 449.461 5.083 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CCc1nc(C2CCCC2)no1 ZINC000079112647 569326296 /nfs/dbraw/zinc/32/62/96/569326296.db2.gz CPCAGFHTBKFLNZ-UHFFFAOYSA-N 0 0 427.545 5.089 50 0 IKAARN O=c1c2cc(Cl)ccc2[nH]c(-c2ccccc2)c1CN1CCN(Cc2ccccc2)CC1 ZINC000019793409 569329414 /nfs/dbraw/zinc/32/94/14/569329414.db2.gz ZQOUNKUJAYKHMQ-UHFFFAOYSA-N 0 0 443.978 5.166 50 0 IKAARN CC(C)COc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2O3)cc1 ZINC000079477985 569330710 /nfs/dbraw/zinc/33/07/10/569330710.db2.gz LTGTWGORTYZBNU-UHFFFAOYSA-N 0 0 431.492 5.430 50 0 IKAARN COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCc2cc(C)on2)c1 ZINC000020056175 569332891 /nfs/dbraw/zinc/33/28/91/569332891.db2.gz GBTWSDKZCNFGRA-YDZHTSKRSA-N 0 0 447.560 5.792 50 0 IKAARN COc1ccc(Cl)cc1-n1c(SCc2cc(C)on2)nnc1-c1cccc(Cl)c1 ZINC000020053296 569332899 /nfs/dbraw/zinc/33/28/99/569332899.db2.gz NKJUXNBHYFPTSQ-UHFFFAOYSA-N 0 0 447.347 5.838 50 0 IKAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)c2ccc(F)cc2)cc1 ZINC000020059956 569332966 /nfs/dbraw/zinc/33/29/66/569332966.db2.gz DAWHOTHTPFCBBO-UHFFFAOYSA-N 0 0 436.874 5.047 50 0 IKAARN COc1ccc(CC(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccccc2)cc1 ZINC000020059952 569332988 /nfs/dbraw/zinc/33/29/88/569332988.db2.gz MDXBFBWPNOZQCL-UHFFFAOYSA-N 0 0 432.911 5.102 50 0 IKAARN Cc1cc2n(n1)[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)Nc1c(C)cccc1-2 ZINC000020060263 569333013 /nfs/dbraw/zinc/33/30/13/569333013.db2.gz PKDYHGVNWFJJGF-MUUNZHRXSA-N 0 0 431.543 6.300 50 0 IKAARN Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1c(C)cc(C)cc1-2 ZINC000020060253 569333031 /nfs/dbraw/zinc/33/30/31/569333031.db2.gz BXZASJMUTFSJDK-NDEPHWFRSA-N 0 0 431.543 6.300 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)c(C)c1 ZINC000020069412 569333211 /nfs/dbraw/zinc/33/32/11/569333211.db2.gz JTFJLZLWVDNZAY-UHFFFAOYSA-N 0 0 434.609 5.522 50 0 IKAARN CCCC(CCC)C(=O)Nc1ccc2nc(Nc3cccc(C(F)(F)F)c3)cc(C)c2c1 ZINC000020105392 569334255 /nfs/dbraw/zinc/33/42/55/569334255.db2.gz AAPHIHMNBSNSPA-UHFFFAOYSA-N 0 0 443.513 7.461 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=S)N(Cc1ccc(C)cc1)Cc1cccnc1 ZINC000020107903 569334338 /nfs/dbraw/zinc/33/43/38/569334338.db2.gz IYLLGPAFBMOVDD-UHFFFAOYSA-N 0 0 425.985 5.760 50 0 IKAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccn1 ZINC000020107727 569334385 /nfs/dbraw/zinc/33/43/85/569334385.db2.gz XQDGNJWOEWDHRZ-UHFFFAOYSA-N 0 0 425.557 6.273 50 0 IKAARN Cc1ccc(CN(Cc2ccccn2)C(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000020107729 569334417 /nfs/dbraw/zinc/33/44/17/569334417.db2.gz KZCQKLMIHFAOIX-UHFFFAOYSA-N 0 0 439.584 6.582 50 0 IKAARN COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000020111706 569334612 /nfs/dbraw/zinc/33/46/12/569334612.db2.gz VCYLUWWVUJRDTH-FPOVZHCZSA-N 0 0 425.569 5.385 50 0 biogenic IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C(F)(F)F)[C@H]1c1cccs1 ZINC000020115890 569334999 /nfs/dbraw/zinc/33/49/99/569334999.db2.gz OJHKHFCUWDZDBG-RTBURBONSA-N 0 0 430.451 5.316 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000020116007 569335029 /nfs/dbraw/zinc/33/50/29/569335029.db2.gz WUSJMQDODLVRHA-SFTDATJTSA-N 0 0 440.952 5.268 50 0 IKAARN Clc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000020135415 569335677 /nfs/dbraw/zinc/33/56/77/569335677.db2.gz NOPIXFVVYCZIEV-UHFFFAOYSA-N 0 0 433.783 7.017 50 0 IKAARN Cc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc(C(F)(F)F)nn32)cc1 ZINC000020134499 569335752 /nfs/dbraw/zinc/33/57/52/569335752.db2.gz XXBMRRGKDKBQFR-IBGZPJMESA-N 0 0 441.457 5.150 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020138883 569336079 /nfs/dbraw/zinc/33/60/79/569336079.db2.gz RYRCIWQKYBTGPY-VXKWHMMOSA-N 0 0 436.433 5.181 50 0 IKAARN COc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2SCCOc2ccccc2)c1 ZINC000020152025 569336447 /nfs/dbraw/zinc/33/64/47/569336447.db2.gz QIUDWRYQYGJFLZ-LTGZKZEYSA-N 0 0 436.558 5.313 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2Cc1ccccc1C ZINC000020151752 569336487 /nfs/dbraw/zinc/33/64/87/569336487.db2.gz WSMHRWALAFNIEM-UHFFFAOYSA-N 0 0 444.478 5.206 50 0 IKAARN COc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2SCCOc2ccccc2)c1 ZINC000020152019 569336493 /nfs/dbraw/zinc/33/64/93/569336493.db2.gz ATVFRNPCTSCIFP-HAVVHWLPSA-N 0 0 430.529 5.251 50 0 IKAARN CCCCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000020152123 569336600 /nfs/dbraw/zinc/33/66/00/569336600.db2.gz TUGDCAMLJYVKNY-HAVVHWLPSA-N 0 0 438.593 6.150 50 0 IKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCCCC3)cc1 ZINC000020152264 569336606 /nfs/dbraw/zinc/33/66/06/569336606.db2.gz IIUARWKEZHHRIH-UHFFFAOYSA-N 0 0 431.388 6.235 50 0 IKAARN CCOc1ccc(/C=C2\N=C(SCC)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000020152159 569336616 /nfs/dbraw/zinc/33/66/16/569336616.db2.gz AEWQCXRYJUUKRQ-BOPFTXTBSA-N 0 0 446.956 5.253 50 0 IKAARN CCOC(=O)CSC1=N/C(=C/c2ccc(CC)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000020152103 569336623 /nfs/dbraw/zinc/33/66/23/569336623.db2.gz ZDHFJKGMJHMYPL-CPNJWEJPSA-N 0 0 442.968 5.251 50 0 IKAARN CCCSC1=N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000020152068 569336637 /nfs/dbraw/zinc/33/66/37/569336637.db2.gz NIDAYUGBPKFPMT-RGEXLXHISA-N 0 0 434.483 5.991 50 0 IKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(Br)cc3)=NC23CCCCC3)cc1 ZINC000020152249 569336640 /nfs/dbraw/zinc/33/66/40/569336640.db2.gz FUMSXDGTNNIZPJ-UHFFFAOYSA-N 0 0 441.394 5.690 50 0 IKAARN Clc1ccc([C@@H](Nc2ccc(Br)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020178173 569354601 /nfs/dbraw/zinc/35/46/01/569354601.db2.gz WRYWPMTUPLOYHV-LJQANCHMSA-N 0 0 440.728 6.354 50 0 IKAARN COc1ccc2nc3sc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3cc2c1 ZINC000020178826 569354644 /nfs/dbraw/zinc/35/46/44/569354644.db2.gz MPBINHWTZTYOLR-UHFFFAOYSA-N 0 0 431.561 5.037 50 0 IKAARN COc1ccc(Cl)cc1N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000020178273 569354683 /nfs/dbraw/zinc/35/46/83/569354683.db2.gz VUXFRRLEOVMNKB-FQEVSTJZSA-N 0 0 444.293 6.393 50 0 IKAARN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc1S2 ZINC000020178941 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/nfs/dbraw/zinc/36/02/88/569360288.db2.gz UBQUPLOAUFVZFK-UHFFFAOYSA-N 0 0 429.372 7.122 50 0 IKAARN Cc1c(C(=O)N(Cc2cccs2)C2CCCC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020329438 569360750 /nfs/dbraw/zinc/36/07/50/569360750.db2.gz BJQYOTJIXGZIPG-UHFFFAOYSA-N 0 0 441.622 5.139 50 0 IKAARN Cc1ccc(Cn2c3c4ccccc4sc3c(=O)n(-c3cc(Cl)ccc3C)c2=O)cc1 ZINC000020354872 569361037 /nfs/dbraw/zinc/36/10/37/569361037.db2.gz TZGLHCXKFZGVKH-UHFFFAOYSA-N 0 0 446.959 5.686 50 0 IKAARN Cc1cccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccccc3Cl)c2=O)c1 ZINC000020354865 569361099 /nfs/dbraw/zinc/36/10/99/569361099.db2.gz LBEZRPRQNMEBGE-UHFFFAOYSA-N 0 0 432.932 5.377 50 0 IKAARN Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1F ZINC000020354894 569361148 /nfs/dbraw/zinc/36/11/48/569361148.db2.gz FYNSNJVQQHJIFZ-UHFFFAOYSA-N 0 0 434.467 5.002 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3NC2=O)cc1 ZINC000020355259 569361200 /nfs/dbraw/zinc/36/12/00/569361200.db2.gz VXBFZKQUZJEPDW-BHSKHCGUSA-N 0 0 440.568 5.888 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(C)cc4)cc3NC2=O)cc1 ZINC000020355268 569361245 /nfs/dbraw/zinc/36/12/45/569361245.db2.gz VXFAQMZWDXUHOY-BUVRLJJBSA-N 0 0 428.557 5.361 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3NC2=O)c1 ZINC000020355301 569361277 /nfs/dbraw/zinc/36/12/77/569361277.db2.gz XIADIIJIBGAQKK-IBUSPFOHSA-N 0 0 440.568 5.888 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCCc4ccccc4)cc3NC2=O)cc1 ZINC000020355349 569361399 /nfs/dbraw/zinc/36/13/99/569361399.db2.gz GGZFDDPKLMFEBV-LFVJCYFKSA-N 0 0 428.557 5.443 50 0 IKAARN CCOC(=O)c1[nH]c2sc(C)c(C)c2c1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000020355559 569361412 /nfs/dbraw/zinc/36/14/12/569361412.db2.gz KLADYBZWKLWANA-UHFFFAOYSA-N 0 0 425.938 5.624 50 0 IKAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)cc1 ZINC000020355616 569361437 /nfs/dbraw/zinc/36/14/37/569361437.db2.gz BNBDDFAZCVUXEP-YADARESESA-N 0 0 438.531 5.018 50 0 IKAARN Cc1ccc(C(=O)Nc2cccnc2NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000020366016 569362130 /nfs/dbraw/zinc/36/21/30/569362130.db2.gz GTPDGFPHZALFAV-UHFFFAOYSA-N 0 0 449.864 5.234 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(C)cc3)c2c1 ZINC000020382426 569362642 /nfs/dbraw/zinc/36/26/42/569362642.db2.gz ILWPNNFIGSHJMI-UHFFFAOYSA-N 0 0 432.545 5.305 50 0 IKAARN Cc1ccc(CNc2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020382434 569362656 /nfs/dbraw/zinc/36/26/56/569362656.db2.gz DYTOUAQCEQXXJN-UHFFFAOYSA-N 0 0 436.964 5.950 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)c1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000080346219 569362738 /nfs/dbraw/zinc/36/27/38/569362738.db2.gz BQFCFMKVJWGOSL-UHFFFAOYSA-N 0 0 428.989 5.621 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N[C@@H]4CCCc5ccccc54)C3)sc2c1 ZINC000020383506 569362768 /nfs/dbraw/zinc/36/27/68/569362768.db2.gz GLMLFHQCUCNPOC-GHTZIAJQSA-N 0 0 435.593 5.105 50 0 IKAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(OC)cc3)c2c1 ZINC000020382534 569362769 /nfs/dbraw/zinc/36/27/69/569362769.db2.gz XDCPVZXEQPCSRU-UHFFFAOYSA-N 0 0 446.572 5.559 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4cc(Cl)ccc4C)C3)sc2c1 ZINC000020383482 569362773 /nfs/dbraw/zinc/36/27/73/569362773.db2.gz USDNXRUUVVPOFT-HNNXBMFYSA-N 0 0 429.973 5.512 50 0 IKAARN c1ccc(COc2ccc(-c3nn4c(nnc4C45CC6CC(CC(C6)C4)C5)s3)cc2)cc1 ZINC000080346236 569362904 /nfs/dbraw/zinc/36/29/04/569362904.db2.gz QGADURUGLOAIRI-UHFFFAOYSA-N 0 0 442.588 5.900 50 0 IKAARN Cc1c(NC(=O)Nc2cc(Cl)ccc2C)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000020385379 569362960 /nfs/dbraw/zinc/36/29/60/569362960.db2.gz FAHYPSQPJHIWNU-NSHDSACASA-N 0 0 430.961 5.345 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N4CCc5ccccc54)cc32)cc1 ZINC000020385893 569363022 /nfs/dbraw/zinc/36/30/22/569363022.db2.gz LDHUYGFKTGQANU-UHFFFAOYSA-N 0 0 429.545 5.229 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@H](C)c4ccccc4)cc32)cc1 ZINC000020385842 569363030 /nfs/dbraw/zinc/36/30/30/569363030.db2.gz GVVNPJFVGQXSOE-GOSISDBHSA-N 0 0 431.561 5.517 50 0 IKAARN CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)c1 ZINC000020385672 569363037 /nfs/dbraw/zinc/36/30/37/569363037.db2.gz XNLDBEBMJIPOKD-UHFFFAOYSA-N 0 0 445.544 5.481 50 0 IKAARN Cc1sc(-n2cccc2)c([C@@H](C)NC(=O)Nc2ccc(Br)cc2F)c1C ZINC000020386493 569363138 /nfs/dbraw/zinc/36/31/38/569363138.db2.gz YYFGEHYJYYIPRZ-GFCCVEGCSA-N 0 0 436.350 5.940 50 0 IKAARN CCCSCCCNC(=O)Nc1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CS2 ZINC000020385961 569363168 /nfs/dbraw/zinc/36/31/68/569363168.db2.gz XXCHIRZRCMEURV-UHFFFAOYSA-N 0 0 443.638 5.289 50 0 IKAARN COc1cc(NC(=O)N[C@@H](C)c2c(C)c(C)sc2-n2cccc2)cc(OC)c1OC ZINC000020386470 569363170 /nfs/dbraw/zinc/36/31/70/569363170.db2.gz JJRCGICCGCTCAN-AWEZNQCLSA-N 0 0 429.542 5.064 50 0 IKAARN Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000020413329 569364146 /nfs/dbraw/zinc/36/41/46/569364146.db2.gz NYDKPZQCSSZGKA-GHTZIAJQSA-N 0 0 447.575 6.011 50 0 biogenic IKAARN Cc1c(C(=O)N[C@H](C)CCc2ccccc2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000020413339 569364173 /nfs/dbraw/zinc/36/41/73/569364173.db2.gz NYDKPZQCSSZGKA-NQIIRXRSSA-N 0 0 447.575 6.011 50 0 biogenic IKAARN Cc1c(C(=O)N[C@H](C)CCc2ccccc2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000020413332 569364198 /nfs/dbraw/zinc/36/41/98/569364198.db2.gz NYDKPZQCSSZGKA-WIYYLYMNSA-N 0 0 447.575 6.011 50 0 biogenic IKAARN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCCCc3ccccc3)cc2)c2ccccc2S1 ZINC000020414142 569364302 /nfs/dbraw/zinc/36/43/02/569364302.db2.gz IMKAYAGBZXBEFK-LJQANCHMSA-N 0 0 445.588 5.582 50 0 IKAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc2c(s1)-c1ccccc1SC2 ZINC000020414579 569364311 /nfs/dbraw/zinc/36/43/11/569364311.db2.gz LRKDYBJEQPDGBP-UHFFFAOYSA-N 0 0 425.619 5.736 50 0 IKAARN Cc1c(C[NH2+]CCCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000020415638 569364426 /nfs/dbraw/zinc/36/44/26/569364426.db2.gz HUDKOSUAIDFGQE-UHFFFAOYSA-N 0 0 428.935 5.366 50 0 IKAARN Cc1c(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000020415582 569364455 /nfs/dbraw/zinc/36/44/55/569364455.db2.gz GYRXXUFAJMIDAG-IFDVCUOJSA-N 0 0 434.624 5.854 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(F)cc1)O3 ZINC000020418135 569365224 /nfs/dbraw/zinc/36/52/24/569365224.db2.gz SPLJZGIRJLKYLW-HHHXNRCGSA-N 0 0 443.474 6.322 50 0 IKAARN Cc1cc(C)c2c(nn3c2nc(C)c(CCC(=O)Nc2cccc(C(F)(F)F)c2)c3C)n1 ZINC000020436448 569365474 /nfs/dbraw/zinc/36/54/74/569365474.db2.gz XRVLVGBSCYYXEH-UHFFFAOYSA-N 0 0 441.457 5.101 50 0 IKAARN CCOc1ccccc1N(CC)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000020436424 569365498 /nfs/dbraw/zinc/36/54/98/569365498.db2.gz HRXRBMQIVQAPGD-UHFFFAOYSA-N 0 0 429.994 6.740 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1F)c1ccccc1NC(=O)c1ccc(F)cc1F ZINC000095443740 569366799 /nfs/dbraw/zinc/36/67/99/569366799.db2.gz FBCPVCBZNIBULC-JOCHJYFZSA-N 0 0 444.428 5.622 50 0 IKAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)s2)cc1OC ZINC000095443757 569366833 /nfs/dbraw/zinc/36/68/33/569366833.db2.gz FFMQXASEVPTTBK-UHFFFAOYSA-N 0 0 444.463 5.202 50 0 IKAARN Cc1cccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)c(=O)[nH]2)c1 ZINC000095453603 569368254 /nfs/dbraw/zinc/36/82/54/569368254.db2.gz ORSMIXRLVCSSFA-DEOSSOPVSA-N 0 0 443.934 5.113 50 0 IKAARN CCCC(=O)N1CCC(C(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000095458920 569369168 /nfs/dbraw/zinc/36/91/68/569369168.db2.gz JROYXEBDYTVEOX-FPOVZHCZSA-N 0 0 438.534 5.277 50 0 IKAARN CC(=O)N(c1nc(COc2cc(Cl)cnc2Br)cs1)c1ccccc1 ZINC000095460180 569369575 /nfs/dbraw/zinc/36/95/75/569369575.db2.gz VDUPDZSYJCDVDO-UHFFFAOYSA-N 0 0 438.734 5.218 50 0 IKAARN CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460881 569369728 /nfs/dbraw/zinc/36/97/28/569369728.db2.gz SSZZUUQWLAQVBV-JOCHJYFZSA-N 0 0 442.567 5.718 50 0 IKAARN CC(=O)c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000002625767 569411691 /nfs/dbraw/zinc/41/16/91/569411691.db2.gz XTLAOVFGRHTIPD-UHFFFAOYSA-N 0 0 434.127 6.146 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000095465142 569370657 /nfs/dbraw/zinc/37/06/57/569370657.db2.gz FFCKGSXQSWBTLQ-GKCIPKSASA-N 0 0 438.959 5.326 50 0 IKAARN CC(C)c1nc2cc(N(C)C(=O)Cc3csc(-c4ccccc4Cl)n3)ccc2o1 ZINC000095465478 569370767 /nfs/dbraw/zinc/37/07/67/569370767.db2.gz MITGNXSCKZPIML-UHFFFAOYSA-N 0 0 425.941 5.934 50 0 IKAARN Cn1c(CCCNC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)nc2ccccc21 ZINC000095465654 569370822 /nfs/dbraw/zinc/37/08/22/569370822.db2.gz DQIFFQDMQUHKMD-QZTJIDSGSA-N 0 0 449.986 5.126 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000095471188 569371817 /nfs/dbraw/zinc/37/18/17/569371817.db2.gz AAODXAYTCVBOAQ-UHFFFAOYSA-N 0 0 431.433 5.631 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000095471189 569371885 /nfs/dbraw/zinc/37/18/85/569371885.db2.gz NCDINXQTTXFSIO-UHFFFAOYSA-N 0 0 431.433 5.631 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1cc(C(F)(F)F)c2ccc(OC)cc2n1 ZINC000095471999 569371994 /nfs/dbraw/zinc/37/19/94/569371994.db2.gz CZLALMRQZHXIKU-UHFFFAOYSA-N 0 0 436.455 5.392 50 0 IKAARN Cc1cccc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1C ZINC000095471641 569372034 /nfs/dbraw/zinc/37/20/34/569372034.db2.gz XNRKDGVZEQOJKJ-UHFFFAOYSA-N 0 0 436.577 5.155 50 0 IKAARN CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000095482122 569374171 /nfs/dbraw/zinc/37/41/71/569374171.db2.gz CNNINPAHSFGGBB-XAYXJRQQSA-N 0 0 443.499 6.085 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCc1nc(-c2ccccc2Cl)no1 ZINC000095481894 569374245 /nfs/dbraw/zinc/37/42/45/569374245.db2.gz JFCKWWADERNLJN-UHFFFAOYSA-N 0 0 447.944 5.206 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-n3c(=O)c4ccc(Cl)cc4[nH]c3=S)c2)[C@@H]1C ZINC000020645464 569374784 /nfs/dbraw/zinc/37/47/84/569374784.db2.gz OHPBGKCMMZDNTR-PJIJBLCYSA-N 0 0 441.984 5.256 50 0 IKAARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000095939602 569375310 /nfs/dbraw/zinc/37/53/10/569375310.db2.gz JKJDGDFNXYOZJJ-FQEVSTJZSA-N 0 0 432.574 5.750 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3cccc(C)c3)C2)c(OC)c1 ZINC000095945208 569375780 /nfs/dbraw/zinc/37/57/80/569375780.db2.gz ADYSYARWDVXGFZ-HSZRJFAPSA-N 0 0 434.923 5.657 50 0 IKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000095945266 569375795 /nfs/dbraw/zinc/37/57/95/569375795.db2.gz YWXKHYAWRJDBIN-VWLOTQADSA-N 0 0 439.946 6.561 50 0 IKAARN O=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 ZINC000095944714 569375797 /nfs/dbraw/zinc/37/57/97/569375797.db2.gz GOJQITKSMSKLMZ-UHFFFAOYSA-N 0 0 448.950 5.279 50 0 IKAARN Cc1ccc(-c2cc(-c3c(=O)[nH]c4ccccc4c3-c3ccccc3)nc3ccccc32)cc1 ZINC000095945213 569375843 /nfs/dbraw/zinc/37/58/43/569375843.db2.gz DXDNLUNWXJZICN-UHFFFAOYSA-N 0 0 438.530 7.386 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@H]1c1cccc(C)c1 ZINC000095945888 569375936 /nfs/dbraw/zinc/37/59/36/569375936.db2.gz GFZDUAXEBOYDFK-VWLOTQADSA-N 0 0 435.527 5.510 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc32)cc1 ZINC000021089516 569376025 /nfs/dbraw/zinc/37/60/25/569376025.db2.gz YKDJDPNODSBPLO-UHFFFAOYSA-N 0 0 430.813 6.728 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2nc(-c3cccs3)no2)Cc2ccccc2)c1 ZINC000095947051 569376309 /nfs/dbraw/zinc/37/63/09/569376309.db2.gz MPGKOQFNGFTHOS-QGZVFWFLSA-N 0 0 432.549 5.520 50 0 IKAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000095954219 569376819 /nfs/dbraw/zinc/37/68/19/569376819.db2.gz HNTMAJXOUJYFGR-UHFFFAOYSA-N 0 0 435.281 5.122 50 0 IKAARN CCc1ccc(-n2c(=O)c3ccccc3nc2S[C@H](C)c2nnc(C(F)(F)F)o2)cc1 ZINC000095972809 569377470 /nfs/dbraw/zinc/37/74/70/569377470.db2.gz LGUAGMWIMFVMNU-GFCCVEGCSA-N 0 0 446.454 5.203 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(F)c(Cl)c1F ZINC000095986362 569378052 /nfs/dbraw/zinc/37/80/52/569378052.db2.gz GEUSWGAMYZIZIN-UHFFFAOYSA-N 0 0 426.250 5.374 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000096012655 569380235 /nfs/dbraw/zinc/38/02/35/569380235.db2.gz VGBBKINMKRASIP-AWEZNQCLSA-N 0 0 430.217 5.041 50 0 IKAARN Cc1nc(COc2ccccc2/C=C\C(=O)N(C)c2nnc(-c3ccccc3)s2)cs1 ZINC000096035338 569380863 /nfs/dbraw/zinc/38/08/63/569380863.db2.gz RKTDXGRRLIYLOC-SEYXRHQNSA-N 0 0 448.573 5.225 50 0 IKAARN CCC[C@@]1(C)CCCN(C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000096035298 569380959 /nfs/dbraw/zinc/38/09/59/569380959.db2.gz WOIJTCTXPCTJSQ-ZVDPHFIASA-N 0 0 426.557 5.321 50 0 IKAARN Cc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)/C=C/c3ccccc3)n2)cc1 ZINC000096096028 569381079 /nfs/dbraw/zinc/38/10/79/569381079.db2.gz ZXLWCKBRMHKCDT-SAPNQHFASA-N 0 0 437.543 5.372 50 0 IKAARN Cc1ccc(-c2noc(CCN(C(=O)/C=C/c3ccccc3)[C@H](C)c3ccccc3)n2)cc1 ZINC000096096130 569381196 /nfs/dbraw/zinc/38/11/96/569381196.db2.gz WTUBCGHBITVTPT-WQEMPZKUSA-N 0 0 437.543 5.891 50 0 IKAARN CC(C)Oc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000096115371 569383338 /nfs/dbraw/zinc/38/33/38/569383338.db2.gz YJVPGCBTCMTAJV-WIOPSUGQSA-N 0 0 441.483 5.112 50 0 biogenic IKAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1cccc3[nH]ccc31)COC2=O ZINC000096115546 569383358 /nfs/dbraw/zinc/38/33/58/569383358.db2.gz YAJLNTIKGJITNE-OVCLIPMQSA-N 0 0 448.519 5.072 50 0 biogenic IKAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000096117814 569384272 /nfs/dbraw/zinc/38/42/72/569384272.db2.gz PQAJZABVZXRVIX-WBMJQRKESA-N 0 0 426.369 5.499 50 0 IKAARN CC(C)Sc1ccc(CC(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cc1 ZINC000096119082 569384592 /nfs/dbraw/zinc/38/45/92/569384592.db2.gz NSIRJEFXBRGCRG-KRWDZBQOSA-N 0 0 427.595 5.247 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cnn1-c1ccccc1 ZINC000096119728 569384769 /nfs/dbraw/zinc/38/47/69/569384769.db2.gz CXTYHWMFADHBAV-UHFFFAOYSA-N 0 0 441.516 5.135 50 0 IKAARN CCN(C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2F)n1)c1ccc(F)cc1 ZINC000096124605 569385515 /nfs/dbraw/zinc/38/55/15/569385515.db2.gz YJRDYYIKVZPJJR-RAXLEYEMSA-N 0 0 427.476 5.172 50 0 IKAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096124632 569385521 /nfs/dbraw/zinc/38/55/21/569385521.db2.gz FZSUBXCYAPBKPQ-KHPPLWFESA-N 0 0 434.895 5.333 50 0 IKAARN COc1cccc(C(=O)c2coc3ccc(OCc4ccc(Cl)c(Cl)c4)cc23)c1 ZINC000096184264 569386228 /nfs/dbraw/zinc/38/62/28/569386228.db2.gz KXPWXUCUGQGDPV-UHFFFAOYSA-N 0 0 427.283 6.558 50 0 IKAARN CN(C)c1ccc(NC(=O)c2cccs2)cc1CN(C(=O)C(C)(C)C)C1CCCCC1 ZINC000096203924 569386465 /nfs/dbraw/zinc/38/64/65/569386465.db2.gz KVDXMGFCVHNGMM-UHFFFAOYSA-N 0 0 441.641 5.774 50 0 IKAARN O=C(Nc1ccccc1)N(Cc1cc(-c2ccc(F)cc2)on1)Cc1ccc2c(c1)OCO2 ZINC000096210720 569386480 /nfs/dbraw/zinc/38/64/80/569386480.db2.gz WBEMJBDZZASWEE-UHFFFAOYSA-N 0 0 445.450 5.444 50 0 IKAARN CC(C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000096203914 569386507 /nfs/dbraw/zinc/38/65/07/569386507.db2.gz YZVDQOAMCUIJGK-HXUWFJFHSA-N 0 0 436.449 5.412 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000096275937 569388370 /nfs/dbraw/zinc/38/83/70/569388370.db2.gz KKZCPQSHJGDVFD-FOIQADDNSA-N 0 0 442.357 5.335 50 0 IKAARN Cc1ccc(C)c(Cn2c(C(=O)Nc3ccccc3)cc3cc(NC(=O)C4CC4)ccc32)c1 ZINC000096276485 569388498 /nfs/dbraw/zinc/38/84/98/569388498.db2.gz CTOAYTFLPOODGW-UHFFFAOYSA-N 0 0 437.543 5.907 50 0 IKAARN CC[C@@H](C)N(CCc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096276232 569388499 /nfs/dbraw/zinc/38/84/99/569388499.db2.gz QCAQLPYDYOFUKJ-OAHLLOKOSA-N 0 0 447.457 5.247 50 0 IKAARN COCCNC(=O)C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Oc2ccccc2)c1 ZINC000096276862 569388619 /nfs/dbraw/zinc/38/86/19/569388619.db2.gz OKXGZONNIKTNNC-JOCHJYFZSA-N 0 0 448.950 5.898 50 0 IKAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000096276580 569388636 /nfs/dbraw/zinc/38/86/36/569388636.db2.gz UGEWZZVWADSOGY-QFIPXVFZSA-N 0 0 430.548 5.905 50 0 IKAARN CC(C)CCn1c(C(=O)Nc2ccccc2)cc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000096277007 569388652 /nfs/dbraw/zinc/38/86/52/569388652.db2.gz OWHBGSRAMDTTOU-UHFFFAOYSA-N 0 0 443.522 6.331 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Oc2ccccc2)c1 ZINC000096276776 569388662 /nfs/dbraw/zinc/38/86/62/569388662.db2.gz GFPYPWNOUZEIIO-QHCPKHFHSA-N 0 0 446.978 6.908 50 0 IKAARN O=C(Nc1ccccc1)c1cc2cc(NC(=O)C3CC3)ccc2n1Cc1cccc(F)c1 ZINC000096276606 569388664 /nfs/dbraw/zinc/38/86/64/569388664.db2.gz HVIQICVRUJFICS-UHFFFAOYSA-N 0 0 427.479 5.430 50 0 IKAARN COc1ccc(NC(=O)NCCNc2nc(-c3ccccc3)nc3cc(Cl)ccc32)cc1 ZINC000096277689 569388860 /nfs/dbraw/zinc/38/88/60/569388860.db2.gz UCIBESWZRYISOB-UHFFFAOYSA-N 0 0 447.926 5.192 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277912 569388889 /nfs/dbraw/zinc/38/88/89/569388889.db2.gz VZFLKQAZFBFHJK-FZKQIMNGSA-N 0 0 433.430 5.281 50 0 IKAARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Cl)c2)CC1 ZINC000096277944 569388996 /nfs/dbraw/zinc/38/89/96/569388996.db2.gz GJVAYGQCCZVDMC-LJQANCHMSA-N 0 0 430.379 5.161 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000096278230 569389009 /nfs/dbraw/zinc/38/90/09/569389009.db2.gz NUVOQLICAKEAGV-SFHVURJKSA-N 0 0 446.856 6.272 50 0 IKAARN COc1ccc([C@@H](CC(N)=O)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000096278318 569389093 /nfs/dbraw/zinc/38/90/93/569389093.db2.gz NJRXLNFMDOMOJN-JOCHJYFZSA-N 0 0 428.532 5.023 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3ccco3)cc3cc(NC(=O)CC(C)C)ccc32)c1 ZINC000096278496 569389099 /nfs/dbraw/zinc/38/90/99/569389099.db2.gz BGQDUHJDKRCNJC-UHFFFAOYSA-N 0 0 443.547 5.506 50 0 IKAARN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000096279039 569389193 /nfs/dbraw/zinc/38/91/93/569389193.db2.gz QTNFLVVWHRNKID-UHFFFAOYSA-N 0 0 434.446 5.172 50 0 IKAARN COc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2ccc(C)cc2o1 ZINC000096279082 569389194 /nfs/dbraw/zinc/38/91/94/569389194.db2.gz AJXSXOUHNOQYDB-UHFFFAOYSA-N 0 0 429.881 5.233 50 0 IKAARN Cc1ccc2oc(-c3cccc(OS(=O)(=O)c4ccccc4OC(F)(F)F)c3)nc2c1 ZINC000096279093 569389221 /nfs/dbraw/zinc/38/92/21/569389221.db2.gz XELRYRMMCUJPAK-UHFFFAOYSA-N 0 0 449.406 5.470 50 0 IKAARN O=C(Nc1ccc2oc(Cc3ccccc3Cl)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000096279143 569389299 /nfs/dbraw/zinc/38/92/99/569389299.db2.gz MHOQVAOOBWAKDQ-UHFFFAOYSA-N 0 0 431.706 6.631 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c3)oc2c1 ZINC000096279190 569389337 /nfs/dbraw/zinc/38/93/37/569389337.db2.gz GYCNYVGHWOXLIG-UHFFFAOYSA-N 0 0 444.840 7.036 50 0 IKAARN Cc1cccc2oc(-c3ccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)cc3Cl)nc21 ZINC000096279169 569389340 /nfs/dbraw/zinc/38/93/40/569389340.db2.gz QPBYNVBVNBTTIO-UHFFFAOYSA-N 0 0 444.840 7.036 50 0 IKAARN COCCNC(=O)[C@@H](C)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl ZINC000096279246 569389370 /nfs/dbraw/zinc/38/93/70/569389370.db2.gz PHJCKTDFHNJHPE-MRXNPFEDSA-N 0 0 429.973 5.061 50 0 IKAARN Cc1ccc2nc(-c3cccc(C)c3OS(=O)(=O)c3ccc(Cl)cc3Cl)oc2c1 ZINC000096279524 569389465 /nfs/dbraw/zinc/38/94/65/569389465.db2.gz XPYOMVHTDCDIGD-UHFFFAOYSA-N 0 0 448.327 6.186 50 0 IKAARN O=C(Cc1cccs1)Nc1ccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)cc1 ZINC000096280457 569389533 /nfs/dbraw/zinc/38/95/33/569389533.db2.gz BDFGISOBJWUNGZ-UHFFFAOYSA-N 0 0 441.503 5.040 50 0 IKAARN O=C(Nc1nnc(SCc2cc(F)ccc2F)s1)c1cc(Cl)cc(Cl)c1 ZINC000096280167 569389581 /nfs/dbraw/zinc/38/95/81/569389581.db2.gz JEFFJJVEEYKHQN-UHFFFAOYSA-N 0 0 432.304 5.668 50 0 IKAARN COc1cc(COc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2OC)cc(OC)c1 ZINC000096280645 569389651 /nfs/dbraw/zinc/38/96/51/569389651.db2.gz SPIAVJNYAQXALM-UHFFFAOYSA-N 0 0 436.439 5.148 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)Nc1ccc(F)cc1 ZINC000096280577 569389673 /nfs/dbraw/zinc/38/96/73/569389673.db2.gz AFWUANCFPNABMG-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 ZINC000096281151 569389778 /nfs/dbraw/zinc/38/97/78/569389778.db2.gz FXVWGOSNUYSKQL-FTJBHMTQSA-N 0 0 448.607 5.035 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 ZINC000096281625 569390036 /nfs/dbraw/zinc/39/00/36/569390036.db2.gz LURWSKPQRHZENJ-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN CCc1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000096281745 569390044 /nfs/dbraw/zinc/39/00/44/569390044.db2.gz BOXVRURNUUAMHA-NHCUHLMSSA-N 0 0 436.939 5.380 50 0 IKAARN Cc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2ccccc2F)CC3)cc1 ZINC000096281833 569390169 /nfs/dbraw/zinc/39/01/69/569390169.db2.gz ODNFROWEGOKMNL-UHFFFAOYSA-N 0 0 446.570 5.511 50 0 IKAARN Cc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccc(C)cc4)c3C2)cc1 ZINC000096281826 569390189 /nfs/dbraw/zinc/39/01/89/569390189.db2.gz YNZKPHGARKPMCO-UHFFFAOYSA-N 0 0 428.580 5.434 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N[C@@H](C)CC)CC(C)C)n1 ZINC000096287277 569390317 /nfs/dbraw/zinc/39/03/17/569390317.db2.gz LRHNDVTXMRQSER-AWEZNQCLSA-N 0 0 425.404 5.266 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096288232 569390419 /nfs/dbraw/zinc/39/04/19/569390419.db2.gz YVRDOUQHYJLZLJ-BFUOFWGJSA-N 0 0 435.421 5.341 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2C(=O)NCC(C)C)nnc1-c1ccco1 ZINC000096288757 569390532 /nfs/dbraw/zinc/39/05/32/569390532.db2.gz SSXHTUGYVBYOCL-UHFFFAOYSA-N 0 0 446.576 5.514 50 0 IKAARN COc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CCC(=O)NCC(C)C)cc1 ZINC000096289010 569390540 /nfs/dbraw/zinc/39/05/40/569390540.db2.gz LWAVOGXPHIBVPA-UHFFFAOYSA-N 0 0 427.548 5.382 50 0 IKAARN Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CCC(=O)N4CCCC4)n3c2)c1 ZINC000096289039 569390575 /nfs/dbraw/zinc/39/05/75/569390575.db2.gz CLPSAYUGBMPUKU-UHFFFAOYSA-N 0 0 443.978 6.185 50 0 IKAARN Cc1ccc(F)c([C@@H](CC(=O)NC[C@@H]2COc3ccccc3O2)c2c[nH]c3ccccc32)c1 ZINC000096289138 569390582 /nfs/dbraw/zinc/39/05/82/569390582.db2.gz LZNABOMMMKPDKN-UYAOXDASSA-N 0 0 444.506 5.094 50 0 IKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000096289503 569390652 /nfs/dbraw/zinc/39/06/52/569390652.db2.gz NAZDPPAWQAWFPR-HNNXBMFYSA-N 0 0 442.346 5.713 50 0 IKAARN COCCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096289189 569390668 /nfs/dbraw/zinc/39/06/68/569390668.db2.gz HMXHMUOVVBJFIX-UHFFFAOYSA-N 0 0 447.966 5.407 50 0 IKAARN CCN(CC)C(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccc(Cl)cc3C)cn21 ZINC000096289688 569390764 /nfs/dbraw/zinc/39/07/64/569390764.db2.gz PSJVHAIYAPUSCJ-UHFFFAOYSA-N 0 0 445.994 6.431 50 0 IKAARN CC(C)C[C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1c[nH]c2ccc(Cl)cc21 ZINC000096290313 569390765 /nfs/dbraw/zinc/39/07/65/569390765.db2.gz FZCQRPFHFKKGTE-SJLPKXTDSA-N 0 0 426.944 5.297 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N[C@@H](C)CC)Cc2ccco2)n1 ZINC000096290183 569390775 /nfs/dbraw/zinc/39/07/75/569390775.db2.gz LQRAGFLFYJJCIH-AWEZNQCLSA-N 0 0 449.382 5.403 50 0 IKAARN CC(C)C[C@@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1c[nH]c2ccc(Cl)cc21 ZINC000096290312 569390781 /nfs/dbraw/zinc/39/07/81/569390781.db2.gz FZCQRPFHFKKGTE-FUHWJXTLSA-N 0 0 426.944 5.297 50 0 IKAARN Cc1cccc(-n2c(SCc3ccccc3C(=O)NCC(C)C)nnc2-c2ccco2)c1 ZINC000096290371 569390910 /nfs/dbraw/zinc/39/09/10/569390910.db2.gz BDHVIKSIFLRAES-UHFFFAOYSA-N 0 0 446.576 5.514 50 0 IKAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(C(=O)CC(C)C)C(C)C)c1 ZINC000096290522 569390933 /nfs/dbraw/zinc/39/09/33/569390933.db2.gz WEAUZVSBAJGGJO-UHFFFAOYSA-N 0 0 437.989 5.199 50 0 IKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)NCc2ccco2)cc1 ZINC000096291198 569391150 /nfs/dbraw/zinc/39/11/50/569391150.db2.gz GDOXMOKSKKVRKB-UHFFFAOYSA-N 0 0 442.346 5.542 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096292001 569391206 /nfs/dbraw/zinc/39/12/06/569391206.db2.gz BLOALNDCFMRGLC-FOIQADDNSA-N 0 0 447.457 5.176 50 0 IKAARN CC(C)CNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096292032 569391215 /nfs/dbraw/zinc/39/12/15/569391215.db2.gz FWFQOKUJNANSKL-UHFFFAOYSA-N 0 0 431.967 6.027 50 0 IKAARN CC(C)CNC(=O)c1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000096292323 569391240 /nfs/dbraw/zinc/39/12/40/569391240.db2.gz XAKBDKFGKLJQIM-UHFFFAOYSA-N 0 0 446.576 5.265 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3ccc(Cl)c(C(F)(F)F)c3)c[nH]c21 ZINC000096292153 569391277 /nfs/dbraw/zinc/39/12/77/569391277.db2.gz AWCDORFVPIJJNZ-GOSISDBHSA-N 0 0 448.916 6.547 50 0 IKAARN CC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096292915 569391343 /nfs/dbraw/zinc/39/13/43/569391343.db2.gz HGEOOXRGNDQMOQ-UHFFFAOYSA-N 0 0 437.849 5.502 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000096292379 569391359 /nfs/dbraw/zinc/39/13/59/569391359.db2.gz UCJGBVGDUUNREI-UHFFFAOYSA-N 0 0 449.769 5.115 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccco1 ZINC000096293373 569391502 /nfs/dbraw/zinc/39/15/02/569391502.db2.gz RMGMZGNQQUQXMZ-QGZVFWFLSA-N 0 0 446.856 6.272 50 0 IKAARN CCCC1=NS(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2N1c1ccccc1 ZINC000096293435 569391526 /nfs/dbraw/zinc/39/15/26/569391526.db2.gz QEHRGESQBHIFTI-UHFFFAOYSA-N 0 0 437.496 5.117 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccco1 ZINC000096293372 569391579 /nfs/dbraw/zinc/39/15/79/569391579.db2.gz RMGMZGNQQUQXMZ-KRWDZBQOSA-N 0 0 446.856 6.272 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(Cl)cc3)no2)Cc2ccccc2)cc1 ZINC000096294216 569391756 /nfs/dbraw/zinc/39/17/56/569391756.db2.gz OZHLBHDHWUGBSH-UHFFFAOYSA-N 0 0 431.923 5.584 50 0 IKAARN Cc1ccc(C)c(-c2ccc3nc(-c4ccc(Cl)cc4)c(CCC(=O)NC(C)C)n3c2)c1 ZINC000096294445 569391778 /nfs/dbraw/zinc/39/17/78/569391778.db2.gz SPUCIMCGJOZBRS-UHFFFAOYSA-N 0 0 445.994 6.396 50 0 IKAARN Cc1ccc(-c2nc3ccc(-c4ccc(Cl)cc4C)cn3c2CCC(=O)NC(C)C)cc1 ZINC000096294451 569391788 /nfs/dbraw/zinc/39/17/88/569391788.db2.gz WTVIZJUONMKSMP-UHFFFAOYSA-N 0 0 445.994 6.396 50 0 IKAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)C(=O)C(C)C ZINC000096294727 569391876 /nfs/dbraw/zinc/39/18/76/569391876.db2.gz HRRZYQKRCRPVOZ-QGZVFWFLSA-N 0 0 437.989 5.199 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000096294802 569391892 /nfs/dbraw/zinc/39/18/92/569391892.db2.gz WRDQVLALXFJICJ-UHFFFAOYSA-N 0 0 429.423 5.521 50 0 IKAARN O=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000096316217 569392774 /nfs/dbraw/zinc/39/27/74/569392774.db2.gz ZWJKGBYWSHYARJ-CYVLTUHYSA-N 0 0 426.442 5.256 50 0 IKAARN CC[C@@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000096316960 569392978 /nfs/dbraw/zinc/39/29/78/569392978.db2.gz SMBNOCLOWJIBLB-HXUWFJFHSA-N 0 0 436.644 5.201 50 0 IKAARN CC[C@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000096317295 569393399 /nfs/dbraw/zinc/39/33/99/569393399.db2.gz NSZNGDCBDITSGM-IBGZPJMESA-N 0 0 448.636 5.222 50 0 IKAARN CCOC(=O)c1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1C ZINC000096319011 569393952 /nfs/dbraw/zinc/39/39/52/569393952.db2.gz FHVSEHYJQXNHTH-IBGZPJMESA-N 0 0 425.941 5.637 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000096320576 569394060 /nfs/dbraw/zinc/39/40/60/569394060.db2.gz RHMQUNNUBNVGAW-UHFFFAOYSA-N 0 0 425.576 5.549 50 0 IKAARN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(F)c3)no2)c1 ZINC000096322902 569394888 /nfs/dbraw/zinc/39/48/88/569394888.db2.gz CQNMDYVFKPXSLI-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN Cc1ccc(CN2c3ccccc3OC[C@H]2CC(=O)Nc2nc3ccccc3s2)cc1 ZINC000096323070 569394965 /nfs/dbraw/zinc/39/49/65/569394965.db2.gz IRSCTLKQEWXIJZ-LJQANCHMSA-N 0 0 429.545 5.401 50 0 IKAARN CC(C)c1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000096322913 569395049 /nfs/dbraw/zinc/39/50/49/569395049.db2.gz FDOFWBGXLJGMTL-UHFFFAOYSA-N 0 0 439.562 5.414 50 0 IKAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(C)cc2Cl)C4)cc1 ZINC000096323847 569395518 /nfs/dbraw/zinc/39/55/18/569395518.db2.gz DVANSQGBPDCPHO-UHFFFAOYSA-N 0 0 437.956 5.318 50 0 IKAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cccc(Cl)c2C)C4)cc1 ZINC000096323857 569395593 /nfs/dbraw/zinc/39/55/93/569395593.db2.gz ZWPMUZMRISANDW-UHFFFAOYSA-N 0 0 437.956 5.318 50 0 IKAARN Cc1ccc(-n2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c3ccccc3c2=O)cc1 ZINC000096324344 569395825 /nfs/dbraw/zinc/39/58/25/569395825.db2.gz QOQZJENPMBZKJI-UHFFFAOYSA-N 0 0 447.416 6.035 50 0 IKAARN CSc1ccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)cc1 ZINC000096324407 569395830 /nfs/dbraw/zinc/39/58/30/569395830.db2.gz ICAMGFYSCQAXFO-UHFFFAOYSA-N 0 0 429.476 5.569 50 0 IKAARN COCc1cc(C)nc2sc(-c3nnc(-c4cccc(OC)c4)o3)c(-n3cccc3)c21 ZINC000096336505 569396738 /nfs/dbraw/zinc/39/67/38/569396738.db2.gz OGQGKGPVVPUGBF-UHFFFAOYSA-N 0 0 432.505 5.267 50 0 IKAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)cc1 ZINC000096344037 569396901 /nfs/dbraw/zinc/39/69/01/569396901.db2.gz MOSVBPMISULXKV-VWLOTQADSA-N 0 0 446.591 5.197 50 0 IKAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)cc1 ZINC000096344039 569396924 /nfs/dbraw/zinc/39/69/24/569396924.db2.gz MOSVBPMISULXKV-RUZDIDTESA-N 0 0 446.591 5.197 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2c[nH]c3ccccc23)C12CCCC2 ZINC000096344107 569396933 /nfs/dbraw/zinc/39/69/33/569396933.db2.gz MEHLZIKREJFBQD-RUZDIDTESA-N 0 0 443.591 5.179 50 0 IKAARN O=C(NCc1cccc(F)c1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344428 569397029 /nfs/dbraw/zinc/39/70/29/569397029.db2.gz MCUWFXYWYMWXJF-DEOSSOPVSA-N 0 0 434.555 5.327 50 0 IKAARN O=C(NCc1cccc(F)c1)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 ZINC000096344377 569397034 /nfs/dbraw/zinc/39/70/34/569397034.db2.gz ZUOUQJIFRFRDAM-DEOSSOPVSA-N 0 0 446.522 5.178 50 0 IKAARN O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 ZINC000096344379 569397047 /nfs/dbraw/zinc/39/70/47/569397047.db2.gz QPTMZQKPNBVKSD-VWLOTQADSA-N 0 0 442.559 5.081 50 0 IKAARN CC(C)c1noc(-c2ccccc2NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)n1 ZINC000096346769 569397169 /nfs/dbraw/zinc/39/71/69/569397169.db2.gz UYZIIWPVRBVIDS-UHFFFAOYSA-N 0 0 447.922 6.345 50 0 IKAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(CCc5ccccc5)oc4c3)c2c1 ZINC000096358927 569397466 /nfs/dbraw/zinc/39/74/66/569397466.db2.gz HZFKETUGRASXOQ-UHFFFAOYSA-N 0 0 439.515 5.075 50 0 biogenic IKAARN Cc1ccc(S(=O)(=O)N2CC=C(c3cn(C(C)C)c4ncccc34)CC2)cc1Cl ZINC000096386518 569398644 /nfs/dbraw/zinc/39/86/44/569398644.db2.gz SNVIAJHQYFXRQM-UHFFFAOYSA-N 0 0 429.973 5.057 50 0 IKAARN CCOc1ccccc1C(=O)Nc1ccc(-c2nc(Cn3nc(C)cc3C)c(C)o2)cc1 ZINC000096397288 569399463 /nfs/dbraw/zinc/39/94/63/569399463.db2.gz DMKDEMBKVQJGKE-UHFFFAOYSA-N 0 0 430.508 5.163 50 0 IKAARN Cc1nn(Cc2nc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3)oc2C)c(C)c1C ZINC000096397352 569399469 /nfs/dbraw/zinc/39/94/69/569399469.db2.gz CNEVUCKGGHROFH-UHFFFAOYSA-N 0 0 436.462 5.351 50 0 IKAARN CCn1c2ccccc2c(CN(CCOC)C(=O)Nc2ccccc2)c1-c1cccs1 ZINC000096399050 569399800 /nfs/dbraw/zinc/39/98/00/569399800.db2.gz YXKQPALKFRWRFK-UHFFFAOYSA-N 0 0 433.577 6.070 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccc(Cl)cc1 ZINC000096399301 569399861 /nfs/dbraw/zinc/39/98/61/569399861.db2.gz YLAWDPOTWCDRQG-UHFFFAOYSA-N 0 0 441.000 5.627 50 0 IKAARN Cn1c2ccccc2c(CNC(=O)Nc2ccccc2C(F)(F)F)c1-c1cccs1 ZINC000096399105 569399914 /nfs/dbraw/zinc/39/99/14/569399914.db2.gz UWXJKOXFEKHXBJ-UHFFFAOYSA-N 0 0 429.467 6.247 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2ccc3c(c2)OCCO3)c1-c1cccs1 ZINC000096399154 569399931 /nfs/dbraw/zinc/39/99/31/569399931.db2.gz RFWFHWSYNKFMRT-UHFFFAOYSA-N 0 0 433.533 5.483 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)NCc1c2ccccc2n(CC)c1-c1cccs1 ZINC000096399130 569399943 /nfs/dbraw/zinc/39/99/43/569399943.db2.gz GQAMIEOEJHDXEV-UHFFFAOYSA-N 0 0 447.560 5.888 50 0 IKAARN O=C(/C=C\c1c(Cl)nc2sccn12)OCc1csc(-c2ccccc2Cl)n1 ZINC000096401075 569400360 /nfs/dbraw/zinc/40/03/60/569400360.db2.gz LXGRVIPSOPRFQO-WAYWQWQTSA-N 0 0 436.345 5.583 50 0 IKAARN O=C(/C=C\c1cccs1)NCCCCCCCCCNC(=O)/C=C\c1cccs1 ZINC000096437939 569400589 /nfs/dbraw/zinc/40/05/89/569400589.db2.gz FIVVMKNBRSVHGQ-DZDAAMPGSA-N 0 0 430.639 5.499 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000096481278 569400885 /nfs/dbraw/zinc/40/08/85/569400885.db2.gz WXRZIONCTRCYHZ-NRFANRHFSA-N 0 0 443.547 5.578 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1C ZINC000021811599 569400951 /nfs/dbraw/zinc/40/09/51/569400951.db2.gz LBGCOKFBMJJJMU-VLSCCVFBSA-N 0 0 447.579 5.211 50 0 IKAARN FC(F)(F)c1ccc(CNc2nc(CCc3ccccc3)nc3ccc(Cl)cc32)cn1 ZINC000096562086 569401012 /nfs/dbraw/zinc/40/10/12/569401012.db2.gz GDPQULPROVSMAR-UHFFFAOYSA-N 0 0 442.872 6.094 50 0 IKAARN C[C@H](NC(=O)c1nc2n(c1Cl)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 ZINC000096562169 569401035 /nfs/dbraw/zinc/40/10/35/569401035.db2.gz ZJQVENLCEUCAOC-IAOVAPTHSA-N 0 0 448.876 5.688 50 0 IKAARN COc1ccc([C@@H]2c3cc(Cl)c4ccccc4c3Oc3ncn4ncnc4c32)cc1OC ZINC000096562421 569401135 /nfs/dbraw/zinc/40/11/35/569401135.db2.gz BPBLPGQAUHCPFB-HXUWFJFHSA-N 0 0 444.878 5.234 50 0 IKAARN COc1ccc([C@H]2c3cc(Cl)c4ccccc4c3Oc3ncn4ncnc4c32)cc1OC ZINC000096562422 569401151 /nfs/dbraw/zinc/40/11/51/569401151.db2.gz BPBLPGQAUHCPFB-FQEVSTJZSA-N 0 0 444.878 5.234 50 0 IKAARN Nc1c(-c2nc3ccccc3s2)c(C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000096562391 569401173 /nfs/dbraw/zinc/40/11/73/569401173.db2.gz FHSGEGRDKGPNPD-UHFFFAOYSA-N 0 0 445.935 5.637 50 0 IKAARN Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)ccc(c43)C2=O)c(C)c1 ZINC000096562548 569401188 /nfs/dbraw/zinc/40/11/88/569401188.db2.gz DONZLWMXJWPBDN-UHFFFAOYSA-N 0 0 426.903 6.654 50 0 IKAARN O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccccn1 ZINC000096572047 569401384 /nfs/dbraw/zinc/40/13/84/569401384.db2.gz HIQHXUZSBVOFCG-CYBMUJFWSA-N 0 0 447.071 5.292 50 0 IKAARN CC(=O)Oc1ccccc1[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCOCC1 ZINC000096580197 569401527 /nfs/dbraw/zinc/40/15/27/569401527.db2.gz QXOIVOJHAXHJJQ-DEOSSOPVSA-N 0 0 439.596 5.334 50 0 IKAARN CCOC(=O)C1=C(C)N(C(=O)c2ccccc2)C(SC)=N[C@H]1c1ccccc1Cl ZINC000096579777 569401558 /nfs/dbraw/zinc/40/15/58/569401558.db2.gz KWDHWBWELGPJIY-IBGZPJMESA-N 0 0 428.941 5.093 50 0 IKAARN CC(=O)Oc1ccccc1[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCOCC1 ZINC000096580195 569401567 /nfs/dbraw/zinc/40/15/67/569401567.db2.gz QXOIVOJHAXHJJQ-XMMPIXPASA-N 0 0 439.596 5.334 50 0 IKAARN CC1(C)Cc2cccc(NC(=O)N3C[C@H](c4ccccc4)C(c4ccc(Cl)cc4)=N3)c2O1 ZINC000096580998 569401664 /nfs/dbraw/zinc/40/16/64/569401664.db2.gz FAIXCQZAHDUWIF-OAQYLSRUSA-N 0 0 445.950 6.089 50 0 IKAARN O=C(CCCCSc1nnc2c3ccccc3[nH]c2n1)Nc1cccc2ccccc21 ZINC000096580755 569401681 /nfs/dbraw/zinc/40/16/81/569401681.db2.gz NTORTBBMMRSOJH-UHFFFAOYSA-N 0 0 427.533 5.560 50 0 IKAARN CC1(C)Cc2cccc(NC(=O)N3C[C@@H](c4ccccc4)C(c4ccc(Cl)cc4)=N3)c2O1 ZINC000096581001 569401683 /nfs/dbraw/zinc/40/16/83/569401683.db2.gz FAIXCQZAHDUWIF-NRFANRHFSA-N 0 0 445.950 6.089 50 0 IKAARN C[C@H](NC(=O)c1ccc(Br)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000096581172 569401704 /nfs/dbraw/zinc/40/17/04/569401704.db2.gz MKSHAZXKLRVWOQ-AWEZNQCLSA-N 0 0 432.402 6.241 50 0 IKAARN COC(=O)c1ccc(/C=C\c2ccc3cccc(OCc4ccccc4Cl)c3n2)cc1 ZINC000096586016 569401817 /nfs/dbraw/zinc/40/18/17/569401817.db2.gz SUYFKNPNLZQDKM-PTNGSMBKSA-N 0 0 429.903 6.424 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000096582159 569401821 /nfs/dbraw/zinc/40/18/21/569401821.db2.gz QHUUIZKSVGPUOF-UHFFFAOYSA-N 0 0 436.536 6.795 50 0 IKAARN Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)O[C@H](O)c2ccccc21 ZINC000096592231 569401876 /nfs/dbraw/zinc/40/18/76/569401876.db2.gz XQTWLYMVRXGKIO-MHZLTWQESA-N 0 0 432.560 6.274 50 0 IKAARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2 ZINC000096594370 569402082 /nfs/dbraw/zinc/40/20/82/569402082.db2.gz QFWYSEREOGALKZ-SSZFMOIBSA-N 0 0 439.621 6.533 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000096594342 569402098 /nfs/dbraw/zinc/40/20/98/569402098.db2.gz NBZXUFOUHJULJT-KGENOOAVSA-N 0 0 433.891 5.662 50 0 IKAARN Cc1cccc(N=c2scc(-c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)c1 ZINC000334157701 569402107 /nfs/dbraw/zinc/40/21/07/569402107.db2.gz OPOHFDAJXGDFNL-UHFFFAOYSA-N 0 0 425.384 7.362 50 0 IKAARN Brc1ccc(-c2nnc(CCSCc3c[nH]c4ccccc34)s2)cc1 ZINC000334163596 569402202 /nfs/dbraw/zinc/40/22/02/569402202.db2.gz YLQCNNDDJQOXRJ-UHFFFAOYSA-N 0 0 430.396 5.925 50 0 IKAARN Fc1ccc(OCc2nc(CSc3n[nH]c(C=Cc4cccs4)n3)cs2)cc1 ZINC000096940150 569402687 /nfs/dbraw/zinc/40/26/87/569402687.db2.gz PNRVNFWKWMXFCD-FPLPWBNLSA-N 0 0 430.555 5.504 50 0 IKAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000096943479 569402690 /nfs/dbraw/zinc/40/26/90/569402690.db2.gz KCYAXJYAFVMEHP-HAHDFKILSA-N 0 0 448.469 5.360 50 0 IKAARN CCCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Cl)c2)no1 ZINC000225534022 569403756 /nfs/dbraw/zinc/40/37/56/569403756.db2.gz RRSTWNJTJCKJBS-UHFFFAOYSA-N 0 0 440.956 5.582 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(=O)c2ccccc2)cc1 ZINC000002461067 569403801 /nfs/dbraw/zinc/40/38/01/569403801.db2.gz HYMYHQLTOPBYHN-UHFFFAOYSA-N 0 0 439.514 5.051 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(C4CC4)cc(-c4ccc(OC)cc4)c3c2N)cc1 ZINC000002465718 569403820 /nfs/dbraw/zinc/40/38/20/569403820.db2.gz WMNGZZLQCPFYBO-UHFFFAOYSA-N 0 0 430.529 5.671 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000002475880 569404397 /nfs/dbraw/zinc/40/43/97/569404397.db2.gz 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CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 ZINC000002620270 569410902 /nfs/dbraw/zinc/41/09/02/569410902.db2.gz TXYKPJOBSRFNCQ-LJQANCHMSA-N 0 0 442.511 6.393 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000002620484 569411024 /nfs/dbraw/zinc/41/10/24/569411024.db2.gz BCLWMKZIPCYUOB-XMMPIXPASA-N 0 0 445.950 5.041 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3sc4cc(F)ccc4c3Cl)sc2C)cc1 ZINC000002620830 569411033 /nfs/dbraw/zinc/41/10/33/569411033.db2.gz BJGAIFQOZSQTJP-UHFFFAOYSA-N 0 0 432.929 6.387 50 0 IKAARN CCOC(=O)c1oc2ccccc2c1CSc1nnc(COc2ccccc2Cl)o1 ZINC000002621920 569411235 /nfs/dbraw/zinc/41/12/35/569411235.db2.gz YDALXLFDYQOQTH-UHFFFAOYSA-N 0 0 444.896 5.517 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000215679894 569411378 /nfs/dbraw/zinc/41/13/78/569411378.db2.gz PAVLVCROWWHARR-UHFFFAOYSA-N 0 0 447.507 5.898 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3F)nnc2-c2cccc(OC)c2)cc1 ZINC000002625562 569411679 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C[C@H]1C[C@H](C)CN(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)C1 ZINC000215683389 569412120 /nfs/dbraw/zinc/41/21/20/569412120.db2.gz WOTUQJMIKNKYIM-QWRGUYRKSA-N 0 0 439.528 5.744 50 0 IKAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(OCc2ccccc2)c1 ZINC000002630663 569412363 /nfs/dbraw/zinc/41/23/63/569412363.db2.gz LHHDBXNHNXBUGG-UHFFFAOYSA-N 0 0 438.531 5.503 50 0 IKAARN Cc1cc(Br)cc(Cl)c1OC(=O)Cc1coc2ccc3ccccc3c12 ZINC000002630346 569412365 /nfs/dbraw/zinc/41/23/65/569412365.db2.gz RBHCAFSAXUQEDG-UHFFFAOYSA-N 0 0 429.697 6.458 50 0 IKAARN COc1ccc2c(CSc3nnc(Nc4cccc(C)c4C)s3)cc(=O)oc2c1 ZINC000002631985 569412598 /nfs/dbraw/zinc/41/25/98/569412598.db2.gz KCMZBAHGBCXHAY-UHFFFAOYSA-N 0 0 425.535 5.306 50 0 IKAARN O=C(CSc1nnc(NC2CCCCC2)s1)NC(c1ccccc1)c1ccccc1 ZINC000002634533 569412807 /nfs/dbraw/zinc/41/28/07/569412807.db2.gz CRZSHLVMDNHBND-UHFFFAOYSA-N 0 0 438.622 5.281 50 0 IKAARN O=C(c1c[nH]c2ccccc12)[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000002636505 569413006 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IKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1ncnc2sc3c(c21)CCCC3)c1ccccc1 ZINC000002643191 569413906 /nfs/dbraw/zinc/41/39/06/569413906.db2.gz LSYNOQATLMBBRB-NRFANRHFSA-N 0 0 449.576 6.181 50 0 IKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1ccc(Br)cc1F)c1ccccc1 ZINC000002643520 569413943 /nfs/dbraw/zinc/41/39/43/569413943.db2.gz NNXZREAMOGOZRJ-UHFFFAOYSA-N 0 0 438.293 5.123 50 0 IKAARN Cc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)no1 ZINC000002643893 569413963 /nfs/dbraw/zinc/41/39/63/569413963.db2.gz XALJTWIJZQKOOV-UHFFFAOYSA-N 0 0 439.585 5.385 50 0 IKAARN C[C@@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000002645000 569414092 /nfs/dbraw/zinc/41/40/92/569414092.db2.gz VCZHGVBNJDSCJL-GFCCVEGCSA-N 0 0 441.965 5.424 50 0 IKAARN COc1ccccc1N(Cc1c(C)noc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000002645283 569414094 /nfs/dbraw/zinc/41/40/94/569414094.db2.gz ZZTCQYKEZMHNPP-UHFFFAOYSA-N 0 0 441.336 5.002 50 0 IKAARN Cc1cc(-c2csc(Nc3ccccc3C(F)(F)F)n2)c(C)n1Cc1cccs1 ZINC000002646391 569414215 /nfs/dbraw/zinc/41/42/15/569414215.db2.gz FLGKHBAGEAYQMF-UHFFFAOYSA-N 0 0 433.524 7.101 50 0 IKAARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 ZINC000002647039 569414323 /nfs/dbraw/zinc/41/43/23/569414323.db2.gz KLQQDBUUVTXAQW-QHCPKHFHSA-N 0 0 441.531 5.142 50 0 IKAARN CCn1c2ccccc2c(-c2csc(Nc3cc(C)ccc3OC)n2)c1-c1ccccc1 ZINC000002647100 569414337 /nfs/dbraw/zinc/41/43/37/569414337.db2.gz KOAFFQYTFCDJDT-UHFFFAOYSA-N 0 0 439.584 7.512 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c(C)n1Cc1ccco1 ZINC000002647970 569414426 /nfs/dbraw/zinc/41/44/26/569414426.db2.gz GQOBCCUOCQEWGN-MRXNPFEDSA-N 0 0 444.531 5.392 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c1Cl ZINC000002649405 569414534 /nfs/dbraw/zinc/41/45/34/569414534.db2.gz CYSIVILBMJQJDS-UHFFFAOYSA-N 0 0 429.303 5.088 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 ZINC000215739532 569414702 /nfs/dbraw/zinc/41/47/02/569414702.db2.gz MDNPDRNQGFSINL-GHRIWEEISA-N 0 0 426.303 5.358 50 0 IKAARN CCCn1c(=O)c2cc(CC)sc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000002650518 569414733 /nfs/dbraw/zinc/41/47/33/569414733.db2.gz CZYAZZXDQCEBSH-UHFFFAOYSA-N 0 0 436.002 5.123 50 0 IKAARN O=C(COc1ncnc2sc3c(c21)CCCC3)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002650363 569414785 /nfs/dbraw/zinc/41/47/85/569414785.db2.gz JZOKHPNRTORAMN-UHFFFAOYSA-N 0 0 441.862 5.260 50 0 IKAARN Cc1cc(OCc2nc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)n[nH]2)ccc1Cl ZINC000002651015 569414875 /nfs/dbraw/zinc/41/48/75/569414875.db2.gz OYTYEDUUPSXUKD-UHFFFAOYSA-N 0 0 444.988 5.374 50 0 IKAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc(Cl)s1 ZINC000002653680 569415088 /nfs/dbraw/zinc/41/50/88/569415088.db2.gz BXBYPECNMKCLNP-UHFFFAOYSA-N 0 0 427.359 6.295 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)n2)c1 ZINC000002653246 569415140 /nfs/dbraw/zinc/41/51/40/569415140.db2.gz NOOTWPAIEOQHSW-HXUWFJFHSA-N 0 0 430.957 5.859 50 0 IKAARN COc1ccc2c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc(=O)oc2c1 ZINC000002653057 569415171 /nfs/dbraw/zinc/41/51/71/569415171.db2.gz BDSNVZPTZGLVET-UHFFFAOYSA-N 0 0 441.512 5.342 50 0 IKAARN Cn1c2ccccc2c(-c2csc(Nc3ccccc3C(F)(F)F)n2)c1-c1ccccc1 ZINC000002657305 569415684 /nfs/dbraw/zinc/41/56/84/569415684.db2.gz GVJQPVOVAZHAMQ-UHFFFAOYSA-N 0 0 449.501 7.731 50 0 IKAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1-c1ccccc1 ZINC000002658534 569415730 /nfs/dbraw/zinc/41/57/30/569415730.db2.gz NBBSJQZAWCIKCO-ZDUSSCGKSA-N 0 0 436.886 6.540 50 0 IKAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1-c1ccccc1 ZINC000002658535 569415751 /nfs/dbraw/zinc/41/57/51/569415751.db2.gz NBBSJQZAWCIKCO-CYBMUJFWSA-N 0 0 436.886 6.540 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1Cc1ccccc1 ZINC000002660742 569416022 /nfs/dbraw/zinc/41/60/22/569416022.db2.gz AZYJTCGJZKIAOQ-XMMPIXPASA-N 0 0 442.588 5.724 50 0 IKAARN Cc1cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C)n1Cc1ccco1 ZINC000002660891 569416064 /nfs/dbraw/zinc/41/60/64/569416064.db2.gz JVGKRNDUWBYMIK-UHFFFAOYSA-N 0 0 435.336 5.071 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000002660763 569416085 /nfs/dbraw/zinc/41/60/85/569416085.db2.gz WGOWLVVAZQJACP-AWEZNQCLSA-N 0 0 439.924 5.233 50 0 IKAARN COc1cccc(CNCc2nc3sc(C)c(C)c3c(NCc3cccc(OC)c3)n2)c1 ZINC000002661614 569416115 /nfs/dbraw/zinc/41/61/15/569416115.db2.gz RKTAONCYHHLYMC-UHFFFAOYSA-N 0 0 448.592 5.227 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCC1=CCCCC1 ZINC000002664015 569416334 /nfs/dbraw/zinc/41/63/34/569416334.db2.gz ICQDOFSGGOKKGM-UHFFFAOYSA-N 0 0 430.577 5.304 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(OC)c(F)c3)nnc2-c2cccnc2)cc1 ZINC000002664946 569416431 /nfs/dbraw/zinc/41/64/31/569416431.db2.gz OQXWUTZAHPDZGT-UHFFFAOYSA-N 0 0 436.512 5.168 50 0 IKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000002671138 569416553 /nfs/dbraw/zinc/41/65/53/569416553.db2.gz ZXRATWOBRXLVJX-HNNXBMFYSA-N 0 0 447.431 6.981 50 0 IKAARN CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000002679405 569416715 /nfs/dbraw/zinc/41/67/15/569416715.db2.gz YUZPPAXFFYMQOJ-UHFFFAOYSA-N 0 0 434.989 5.368 50 0 IKAARN Cc1ccc(NCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000002684281 569416755 /nfs/dbraw/zinc/41/67/55/569416755.db2.gz LHTMLHVIHWELSZ-UHFFFAOYSA-N 0 0 448.979 5.816 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000028678168 569417200 /nfs/dbraw/zinc/41/72/00/569417200.db2.gz UFKJKXWAZRJYNL-UHFFFAOYSA-N 0 0 425.560 5.491 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000230020898 569417777 /nfs/dbraw/zinc/41/77/77/569417777.db2.gz GCVWRKJCELMRCW-QXAKKESOSA-N 0 0 445.327 5.106 50 0 IKAARN COC(=O)c1ccc(CSc2nc3oc(C)c(C)c3c(NC(=O)c3ccccc3)n2)cc1 ZINC000002710620 569417782 /nfs/dbraw/zinc/41/77/82/569417782.db2.gz IEGLUDDZNILTRN-UHFFFAOYSA-N 0 0 447.516 5.171 50 0 IKAARN Cc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000230024902 569417803 /nfs/dbraw/zinc/41/78/03/569417803.db2.gz BURLILZARURVGL-ISARSNTHSA-N 0 0 425.569 5.815 50 0 biogenic IKAARN C[C@@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714791 569417920 /nfs/dbraw/zinc/41/79/20/569417920.db2.gz OOYFYQMWQFXQDH-WIYYLYMNSA-N 0 0 428.555 6.853 50 0 IKAARN Cc1nn(-c2ccccc2)c(OC(=O)C(C)C)c1Sc1c(F)c(F)c(F)c(F)c1F ZINC000002718543 569418029 /nfs/dbraw/zinc/41/80/29/569418029.db2.gz PBFJRUHENDDSLB-UHFFFAOYSA-N 0 0 442.409 5.589 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccs1)C(=S)NC1CCCCC1 ZINC000002722492 569418313 /nfs/dbraw/zinc/41/83/13/569418313.db2.gz RWLABMFUGUADPF-UHFFFAOYSA-N 0 0 429.630 5.929 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1cc(Cl)ccc1Cl)CC(=O)N2 ZINC000002724232 569418316 /nfs/dbraw/zinc/41/83/16/569418316.db2.gz QORQPGQNDQLNRM-QFIPXVFZSA-N 0 0 425.315 5.486 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1cc(Cl)ccc1Cl)CC(=O)N2 ZINC000002724231 569418344 /nfs/dbraw/zinc/41/83/44/569418344.db2.gz QORQPGQNDQLNRM-JOCHJYFZSA-N 0 0 425.315 5.486 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)COc1ccc3ccccc3c1)CC(=O)N2 ZINC000002723620 569418362 /nfs/dbraw/zinc/41/83/62/569418362.db2.gz PYQPTDXGSKGBSS-NDEPHWFRSA-N 0 0 436.511 5.097 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1cccc(C)c1 ZINC000002722454 569418369 /nfs/dbraw/zinc/41/83/69/569418369.db2.gz QYFGGJOHUJJVKC-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(C)cc21)Cc1cccs1 ZINC000002722429 569418370 /nfs/dbraw/zinc/41/83/70/569418370.db2.gz DNFMYOYDXONFFY-UHFFFAOYSA-N 0 0 449.645 6.297 50 0 IKAARN CC[C@H](C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000002724475 569418427 /nfs/dbraw/zinc/41/84/27/569418427.db2.gz MXDLNYVHCBJMFL-GBXCKJPGSA-N 0 0 436.914 5.543 50 0 IKAARN O=C(CCC1CCCCC1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724505 569418488 /nfs/dbraw/zinc/41/84/88/569418488.db2.gz SFIAJGZCHGHBHL-DEOSSOPVSA-N 0 0 428.935 5.710 50 0 IKAARN Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)nn1Cc1cccc(C(F)(F)F)c1 ZINC000002728732 569418656 /nfs/dbraw/zinc/41/86/56/569418656.db2.gz PVMZKOCLFSLOMC-UHFFFAOYSA-N 0 0 440.469 5.701 50 0 IKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3cc(Cl)ccc3Cl)n2)c1 ZINC000002733290 569419576 /nfs/dbraw/zinc/41/95/76/569419576.db2.gz SAEWUNWQDNEDQX-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)o1 ZINC000002733574 569419661 /nfs/dbraw/zinc/41/96/61/569419661.db2.gz XRIAJAVDSFIWNT-UHFFFAOYSA-N 0 0 428.532 6.187 50 0 IKAARN O=C1C[C@@H](c2cccc(Br)c2)N([S@@](=O)Oc2ccccc2)c2ccccc21 ZINC000230064476 569419820 /nfs/dbraw/zinc/41/98/20/569419820.db2.gz GGALGJGMNVKEFI-DCFHFQCYSA-N 0 0 442.334 5.241 50 0 IKAARN Cc1ccc(COc2cccc(/C=C3/N=C(c4ccccc4Br)OC3=O)c2)cc1 ZINC000002740210 569419861 /nfs/dbraw/zinc/41/98/61/569419861.db2.gz CYTBTDPRFJMGQP-HYARGMPZSA-N 0 0 448.316 5.681 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(OC)c1OCc1ccccc1C ZINC000002739957 569419863 /nfs/dbraw/zinc/41/98/63/569419863.db2.gz SEEYAGWYJLVFRE-MTJSOVHGSA-N 0 0 447.462 5.075 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCc1cccc(C)c1 ZINC000002740007 569419904 /nfs/dbraw/zinc/41/99/04/569419904.db2.gz SORRSKZGPKQMHE-HAHDFKILSA-N 0 0 427.500 5.626 50 0 IKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000002741826 569419965 /nfs/dbraw/zinc/41/99/65/569419965.db2.gz WFAYQRFBYWEHMF-NHDPSOOVSA-N 0 0 442.273 6.056 50 0 IKAARN Cc1ccc(NC(=O)CCCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000002744168 569420008 /nfs/dbraw/zinc/42/00/08/569420008.db2.gz HZPMXZJUNHJDOZ-UHFFFAOYSA-N 0 0 431.483 5.982 50 0 IKAARN C[C@@H](Oc1ccc(I)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000002744406 569420010 /nfs/dbraw/zinc/42/00/10/569420010.db2.gz UQTMOIYUXVHLHJ-SECBINFHSA-N 0 0 436.076 5.004 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)Nc1cccc2cccnc21 ZINC000002751268 569420330 /nfs/dbraw/zinc/42/03/30/569420330.db2.gz ZHFREZNYXWHCDL-UHFFFAOYSA-N 0 0 444.531 5.427 50 0 IKAARN CC(=O)N(C)c1ccc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)cc1 ZINC000002764095 569420660 /nfs/dbraw/zinc/42/06/60/569420660.db2.gz SVDLUGQWGBRIPX-UHFFFAOYSA-N 0 0 443.330 5.807 50 0 IKAARN Cc1sc(NC(=O)c2ccc(COc3ccccc3Cl)o2)nc1-c1ccc(C)cc1 ZINC000002760353 569420674 /nfs/dbraw/zinc/42/06/74/569420674.db2.gz MLIMUQBKAGEPJJ-UHFFFAOYSA-N 0 0 438.936 6.505 50 0 IKAARN CC[C@H](NC(=O)c1cnn2c1nc(-c1ccc(OC)cc1)cc2C(F)F)c1ccccc1 ZINC000002770457 569420869 /nfs/dbraw/zinc/42/08/69/569420869.db2.gz ZBGKJQUKDBWPOI-IBGZPJMESA-N 0 0 436.462 5.224 50 0 IKAARN Cc1nn([C@@H](C)C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)cc1Br ZINC000002785015 569421328 /nfs/dbraw/zinc/42/13/28/569421328.db2.gz NNZFIUUBRSMMDS-ZDUSSCGKSA-N 0 0 433.375 5.202 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)cc12 ZINC000002784563 569421361 /nfs/dbraw/zinc/42/13/61/569421361.db2.gz XVKYEFWEQYZLGK-UHFFFAOYSA-N 0 0 434.543 5.804 50 0 IKAARN Cc1cccc(Cl)c1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)o1 ZINC000002791427 569421785 /nfs/dbraw/zinc/42/17/85/569421785.db2.gz YULFOWXTVIAKKU-UHFFFAOYSA-N 0 0 436.924 5.629 50 0 IKAARN Cc1ccccc1N1C(=S)N=NC1c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F ZINC000002791089 569421826 /nfs/dbraw/zinc/42/18/26/569421826.db2.gz WOUVXPUBOWHFTO-FUHWJXTLSA-N 0 0 438.507 5.091 50 0 IKAARN O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000002792467 569421941 /nfs/dbraw/zinc/42/19/41/569421941.db2.gz VDCZWVYCMRZBDP-UHFFFAOYSA-N 0 0 439.846 5.268 50 0 IKAARN CCOc1cc(NC(=O)CSc2nccc(-c3ccc(F)cc3)n2)ccc1OC(F)F ZINC000002793858 569422067 /nfs/dbraw/zinc/42/20/67/569422067.db2.gz LDYWCINPARUIBE-UHFFFAOYSA-N 0 0 449.454 5.014 50 0 IKAARN COc1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)o1 ZINC000002796916 569422157 /nfs/dbraw/zinc/42/21/57/569422157.db2.gz ITXDWFDGDBYXOI-UHFFFAOYSA-N 0 0 432.505 5.065 50 0 IKAARN CCn1cc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c3ccccc3n2)cn1 ZINC000002805350 569422596 /nfs/dbraw/zinc/42/25/96/569422596.db2.gz WECNJHSZMMKTLK-UHFFFAOYSA-N 0 0 442.853 5.625 50 0 IKAARN COc1ccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3Cl)cc2Cl)c(OC)c1 ZINC000002805355 569422669 /nfs/dbraw/zinc/42/26/69/569422669.db2.gz FXSMBBWPPRATDJ-UHFFFAOYSA-N 0 0 440.714 5.161 50 0 IKAARN CCc1c(C)sc2ncn3nc(-c4cccc(COCC(F)(F)C(F)F)c4)nc3c12 ZINC000002808847 569422725 /nfs/dbraw/zinc/42/27/25/569422725.db2.gz SUFNTMGBXYUKOZ-UHFFFAOYSA-N 0 0 438.450 5.294 50 0 IKAARN Cc1ccc(OCCOc2ccc(Cl)c(C)c2)c(/C=C2/N=C(c3ccco3)OC2=O)c1 ZINC000002822181 569423073 /nfs/dbraw/zinc/42/30/73/569423073.db2.gz IRRLVGSDQZCTRT-XSFVSMFZSA-N 0 0 437.879 5.352 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCCCOc2ccccc2Cl)c1 ZINC000002823794 569423114 /nfs/dbraw/zinc/42/31/14/569423114.db2.gz FZLYHHWRESJDBS-OQKWZONESA-N 0 0 433.891 5.532 50 0 IKAARN CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000002887734 569424168 /nfs/dbraw/zinc/42/41/68/569424168.db2.gz JCPBUNJEPZDZAU-UHFFFAOYSA-N 0 0 433.499 5.927 50 0 IKAARN O=C(CNc1cccc2ccccc21)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000002887590 569424175 /nfs/dbraw/zinc/42/41/75/569424175.db2.gz IWFBOZWQOUCFJH-UHFFFAOYSA-N 0 0 442.371 6.245 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(OCc4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000002886912 569424180 /nfs/dbraw/zinc/42/41/80/569424180.db2.gz PXOYQGKXGKYICC-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 IKAARN Cc1cccc(Oc2c(=O)c3ccc(OC(=O)C4CCCCC4)cc3oc2C(F)(F)F)c1 ZINC000002886646 569424191 /nfs/dbraw/zinc/42/41/91/569424191.db2.gz IMEPMCZPXFJJOQ-UHFFFAOYSA-N 0 0 446.421 6.398 50 0 IKAARN CCCCc1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000002887736 569424205 /nfs/dbraw/zinc/42/42/05/569424205.db2.gz XKZJSIQOROXDGX-UHFFFAOYSA-N 0 0 447.526 6.146 50 0 IKAARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccc(Cl)cc1C ZINC000002889785 569424385 /nfs/dbraw/zinc/42/43/85/569424385.db2.gz JLWHICMQSQYHEQ-UHFFFAOYSA-N 0 0 443.952 5.798 50 0 IKAARN COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@H](C)C4)cc1 ZINC000002895471 569424481 /nfs/dbraw/zinc/42/44/81/569424481.db2.gz XFJVJDABWUYLTP-INIZCTEOSA-N 0 0 448.613 5.873 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000002908599 569424581 /nfs/dbraw/zinc/42/45/81/569424581.db2.gz ZRTYYWWGPQZUGY-UHFFFAOYSA-N 0 0 449.601 5.108 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(C)cc1 ZINC000002908628 569424607 /nfs/dbraw/zinc/42/46/07/569424607.db2.gz MRAQLEWUABLJBD-UHFFFAOYSA-N 0 0 449.601 5.108 50 0 IKAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1Cl)c1ccccc1 ZINC000002908753 569424641 /nfs/dbraw/zinc/42/46/41/569424641.db2.gz YOPUXDRSURIIDC-UHFFFAOYSA-N 0 0 426.950 5.135 50 0 IKAARN COc1ccc(Nc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)c(OC)c1 ZINC000002910522 569424833 /nfs/dbraw/zinc/42/48/33/569424833.db2.gz YKAPBOFXEFCYCG-UHFFFAOYSA-N 0 0 431.561 5.922 50 0 IKAARN Cc1c(C(=O)Nc2cccc3ccccc32)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002910981 569424838 /nfs/dbraw/zinc/42/48/38/569424838.db2.gz FSPLVDJAZICHOA-UHFFFAOYSA-N 0 0 443.503 5.359 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2Cl)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000002911095 569424846 /nfs/dbraw/zinc/42/48/46/569424846.db2.gz FSAAZLXGGVFRMJ-UHFFFAOYSA-N 0 0 444.343 5.374 50 0 IKAARN O=C(NC1CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912956 569424953 /nfs/dbraw/zinc/42/49/53/569424953.db2.gz SCXNLWADWQLQHV-UHFFFAOYSA-N 0 0 434.948 5.544 50 0 IKAARN O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2 ZINC000002912778 569425004 /nfs/dbraw/zinc/42/50/04/569425004.db2.gz ZQMULKCQTHZLJB-UHFFFAOYSA-N 0 0 434.948 5.544 50 0 IKAARN Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000002915134 569425096 /nfs/dbraw/zinc/42/50/96/569425096.db2.gz JUJUXASPKXSVIW-BJKOFHAPSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000002915135 569425123 /nfs/dbraw/zinc/42/51/23/569425123.db2.gz JUJUXASPKXSVIW-RPWUZVMVSA-N 0 0 426.907 5.453 50 0 IKAARN COc1cccc([C@@H]2CC(c3ccccc3OC(F)F)=Nc3nc4ccccc4n32)c1OC ZINC000002919484 569425251 /nfs/dbraw/zinc/42/52/51/569425251.db2.gz BTHPRNLWDCYHLR-FQEVSTJZSA-N 0 0 449.457 5.711 50 0 IKAARN Cc1ccc2c(c1)C1=C([C@H](c3ccc(Cl)cc3)O2)[C@H](c2ccccc2)N2NC=NC2=N1 ZINC000002917918 569425255 /nfs/dbraw/zinc/42/52/55/569425255.db2.gz QYGALYPGJYIWCL-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)cc3)O2)[C@H](c2ccccc2)N2NC=NC2=N1 ZINC000002917920 569425257 /nfs/dbraw/zinc/42/52/57/569425257.db2.gz QYGALYPGJYIWCL-BJKOFHAPSA-N 0 0 426.907 5.453 50 0 IKAARN Fc1ccc([C@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3nc4ccccc4n32)cc1 ZINC000002919029 569425311 /nfs/dbraw/zinc/42/53/11/569425311.db2.gz LWCSVSCEEAXILY-HXUWFJFHSA-N 0 0 441.840 6.486 50 0 IKAARN COc1ccc(CCNC(=O)c2cccnc2SCc2ccccc2Cl)cc1OC ZINC000002922042 569425428 /nfs/dbraw/zinc/42/54/28/569425428.db2.gz KBPVCJRUKAAQOJ-UHFFFAOYSA-N 0 0 442.968 5.017 50 0 biogenic IKAARN CCN(CC)c1nc(C)nc2sc(C(=O)Nc3ccc(Br)cc3C)c(C)c21 ZINC000002925937 569425598 /nfs/dbraw/zinc/42/55/98/569425598.db2.gz WJNMNCSLMZOCMS-UHFFFAOYSA-N 0 0 447.402 5.478 50 0 IKAARN CCN(CC)c1ncnc2sc(C(=O)Nc3ccc(C)cc3Br)c(C)c21 ZINC000002925849 569425640 /nfs/dbraw/zinc/42/56/40/569425640.db2.gz CKFGTHDDSYLRHX-UHFFFAOYSA-N 0 0 433.375 5.169 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2ccc(C)c(C)c2)c1C ZINC000002928536 569425877 /nfs/dbraw/zinc/42/58/77/569425877.db2.gz IUBBMPMIKBYVKN-UHFFFAOYSA-N 0 0 434.536 5.294 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2ccc(C(C)C)cc2)c1C ZINC000002928624 569425991 /nfs/dbraw/zinc/42/59/91/569425991.db2.gz ILWKJABGPQZFFZ-UHFFFAOYSA-N 0 0 448.563 5.801 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2nc3ccc(C)cc3s2)c1C ZINC000002928844 569425993 /nfs/dbraw/zinc/42/59/93/569425993.db2.gz CKDABHDVDMWKBW-UHFFFAOYSA-N 0 0 447.560 5.587 50 0 IKAARN COc1ccc2nc(NC(=O)CCn3c(C)c(C(C)=O)cc3-c3ccccc3)sc2c1 ZINC000002929745 569426124 /nfs/dbraw/zinc/42/61/24/569426124.db2.gz MKYFTMRLEWGGHZ-UHFFFAOYSA-N 0 0 433.533 5.313 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc(-c3noc(COc4cccc(C)c4)n3)cc2)cc1 ZINC000002930931 569426138 /nfs/dbraw/zinc/42/61/38/569426138.db2.gz RVQMUUVKLGTWCP-UHFFFAOYSA-N 0 0 443.503 5.204 50 0 IKAARN COc1ccc(-n2cc(C(=O)Nc3nc4c(cccc4C)s3)c3ccccc3c2=O)cc1 ZINC000002937533 569426243 /nfs/dbraw/zinc/42/62/43/569426243.db2.gz DLTFXDBLWJJFMI-UHFFFAOYSA-N 0 0 441.512 5.170 50 0 IKAARN CCCCN(C)C(=O)CSc1nc2ccccc2c(NCc2ccc(Cl)cc2)n1 ZINC000002933061 569426244 /nfs/dbraw/zinc/42/62/44/569426244.db2.gz ZDAASZRJHVYLSQ-UHFFFAOYSA-N 0 0 428.989 5.246 50 0 IKAARN Cc1c(C(=O)N2CCC(C)CC2)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937664 569426356 /nfs/dbraw/zinc/42/63/56/569426356.db2.gz AVOGLXPXWAXNHF-UHFFFAOYSA-N 0 0 436.625 6.072 50 0 IKAARN Cc1c(C(=O)N2CCCCCC2)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937654 569426375 /nfs/dbraw/zinc/42/63/75/569426375.db2.gz AARQNBFJWZVVKB-UHFFFAOYSA-N 0 0 436.625 6.216 50 0 IKAARN COc1ccc(-n2cc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc3c2=O)cc1 ZINC000002937596 569426426 /nfs/dbraw/zinc/42/64/26/569426426.db2.gz PZEGUKSWKKDSOQ-UHFFFAOYSA-N 0 0 448.906 5.222 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937603 569426433 /nfs/dbraw/zinc/42/64/33/569426433.db2.gz SVPHFTKOWBPDSG-UHFFFAOYSA-N 0 0 448.567 6.591 50 0 IKAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(NCCc3ccccc3)n2)c1 ZINC000002941514 569426689 /nfs/dbraw/zinc/42/66/89/569426689.db2.gz NPYBKSHLXYWHTN-UHFFFAOYSA-N 0 0 444.560 5.024 50 0 IKAARN O=C(CSc1nc2ccccc2c(NCc2ccc(Cl)cc2)n1)NCc1ccccc1 ZINC000002941449 569426702 /nfs/dbraw/zinc/42/67/02/569426702.db2.gz PFSFYKMULZFGQZ-UHFFFAOYSA-N 0 0 448.979 5.304 50 0 IKAARN CCCCNc1nc(S[C@@H](CC)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002941565 569426762 /nfs/dbraw/zinc/42/67/62/569426762.db2.gz OZMITLMNUCZCFP-FQEVSTJZSA-N 0 0 438.553 5.080 50 0 IKAARN COc1ccc(/C=C2\N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)c(OC)c1OC ZINC000002945042 569426911 /nfs/dbraw/zinc/42/69/11/569426911.db2.gz IQXWVDPEYUKTAD-TYQAZIJWSA-N 0 0 434.275 5.029 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000002948831 569427121 /nfs/dbraw/zinc/42/71/21/569427121.db2.gz UWDAVXKANIJHDR-UHFFFAOYSA-N 0 0 433.508 6.016 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948514 569427153 /nfs/dbraw/zinc/42/71/53/569427153.db2.gz SYWOSDULAUBPNU-CQSZACIVSA-N 0 0 432.467 5.314 50 0 IKAARN O=C(CSc1nc2ccccc2c(Nc2ccc3c(c2)OCO3)n1)c1ccc(F)cc1 ZINC000002948923 569427164 /nfs/dbraw/zinc/42/71/64/569427164.db2.gz SEBORIHLJULCDS-UHFFFAOYSA-N 0 0 433.464 5.216 50 0 IKAARN O=C1CS[C@H](c2ccc(OC(F)F)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949687 569427207 /nfs/dbraw/zinc/42/72/07/569427207.db2.gz BOAVHHPXFKNFIO-OAQYLSRUSA-N 0 0 447.890 6.512 50 0 IKAARN O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCCC1=CCCCC1 ZINC000002949200 569427219 /nfs/dbraw/zinc/42/72/19/569427219.db2.gz YQPUPZZYNRRDJF-UHFFFAOYSA-N 0 0 425.583 5.042 50 0 IKAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1c1ccc(I)cc1 ZINC000002949501 569427235 /nfs/dbraw/zinc/42/72/35/569427235.db2.gz UBZQOQBTPQDCPC-HNNXBMFYSA-N 0 0 449.235 5.089 50 0 IKAARN O=C(Cc1cccs1)N(C[C@H]1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000056907169 569427514 /nfs/dbraw/zinc/42/75/14/569427514.db2.gz HJMHUDALFAUIQJ-CYBMUJFWSA-N 0 0 442.484 5.011 50 0 IKAARN CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)C1 ZINC000226666995 569427552 /nfs/dbraw/zinc/42/75/52/569427552.db2.gz ATZFDDWHFVQWFV-OGQCEUPSSA-N 0 0 441.571 5.606 50 0 IKAARN Cc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1NC(=O)c1ccccc1 ZINC000029258442 569429271 /nfs/dbraw/zinc/42/92/71/569429271.db2.gz BQTLFXWRTNMMPA-UHFFFAOYSA-N 0 0 448.592 5.188 50 0 IKAARN COC(=O)c1cccc(CS[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1 ZINC000029374339 569429883 /nfs/dbraw/zinc/42/98/83/569429883.db2.gz WONJZOOTHMYFLU-LBPRGKRZSA-N 0 0 426.519 5.026 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncn(Cc3noc(-c4ccc(Cl)cc4)n3)c(=O)c12 ZINC000029391493 569430129 /nfs/dbraw/zinc/43/01/29/569430129.db2.gz CNMPZOUMFLQCBS-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000057273598 569430279 /nfs/dbraw/zinc/43/02/79/569430279.db2.gz MFLYCOVBAWSXGK-AREMUKBSSA-N 0 0 447.623 5.098 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000057273600 569430329 /nfs/dbraw/zinc/43/03/29/569430329.db2.gz MFLYCOVBAWSXGK-SANMLTNESA-N 0 0 447.623 5.098 50 0 IKAARN O=C(CN[C@H](c1cccs1)c1ccc2c(c1)CCCC2)Nc1ccccc1OC(F)F ZINC000057323002 569431103 /nfs/dbraw/zinc/43/11/03/569431103.db2.gz QYLXPAJZUZTEPQ-QHCPKHFHSA-N 0 0 442.531 5.546 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000057323083 569431151 /nfs/dbraw/zinc/43/11/51/569431151.db2.gz GVXIIMSHTHNGMK-JOCHJYFZSA-N 0 0 446.881 5.268 50 0 IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(CCCc1ccccc1)CO3 ZINC000057327440 569431175 /nfs/dbraw/zinc/43/11/75/569431175.db2.gz LIXWTXQEDBJMCI-UHFFFAOYSA-N 0 0 425.528 5.477 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000057352285 569431305 /nfs/dbraw/zinc/43/13/05/569431305.db2.gz ZOKGNVRATLCYQN-MHZLTWQESA-N 0 0 438.575 5.360 50 0 IKAARN O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000029636109 569431649 /nfs/dbraw/zinc/43/16/49/569431649.db2.gz KRSSURHDCGLOAJ-UHFFFAOYSA-N 0 0 443.576 5.382 50 0 IKAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@H](C)c1nc(-c2ccco2)no1 ZINC000029737740 569431872 /nfs/dbraw/zinc/43/18/72/569431872.db2.gz JQPDVFFERJFNPU-GFCCVEGCSA-N 0 0 430.917 5.202 50 0 IKAARN CCOc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2Br)c1 ZINC000002950399 569431982 /nfs/dbraw/zinc/43/19/82/569431982.db2.gz XMLNXKYHSXXGOB-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN O=C(NC1CCCCCCC1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002950971 569432052 /nfs/dbraw/zinc/43/20/52/569432052.db2.gz COCQULSRYIKAJN-UHFFFAOYSA-N 0 0 447.629 6.930 50 0 IKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc2c3c(cccc31)CC2 ZINC000002950323 569432062 /nfs/dbraw/zinc/43/20/62/569432062.db2.gz RIQRAJIKOKDCSE-UHFFFAOYSA-N 0 0 437.109 6.353 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC000002950388 569432063 /nfs/dbraw/zinc/43/20/63/569432063.db2.gz RCROREBMYNMPAW-UHFFFAOYSA-N 0 0 431.879 5.808 50 0 IKAARN CCCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2 ZINC000002953677 569432297 /nfs/dbraw/zinc/43/22/97/569432297.db2.gz OZSOGENESMSDMJ-UHFFFAOYSA-N 0 0 444.600 6.145 50 0 IKAARN CCc1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 ZINC000002956298 569432352 /nfs/dbraw/zinc/43/23/52/569432352.db2.gz BBUCTLCXOJLHLH-UHFFFAOYSA-N 0 0 427.323 5.985 50 0 IKAARN O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000002956070 569432378 /nfs/dbraw/zinc/43/23/78/569432378.db2.gz QZNVPGGIIBVTGW-UHFFFAOYSA-N 0 0 447.903 6.501 50 0 IKAARN CCOc1cccc2cc(-c3csc(Nc4ccc(C(F)(F)F)cc4)n3)c(=O)oc21 ZINC000002956265 569432405 /nfs/dbraw/zinc/43/24/05/569432405.db2.gz SNMBSBZBKGWFMK-UHFFFAOYSA-N 0 0 432.423 6.078 50 0 IKAARN CCOc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)c(Cl)c3)SC2)cc1Cl ZINC000002958669 569432468 /nfs/dbraw/zinc/43/24/68/569432468.db2.gz KXGUAHWRVWVIKR-UHFFFAOYSA-N 0 0 439.755 5.662 50 0 IKAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1C1CCCCC1)NC1CCCC1 ZINC000002962089 569432797 /nfs/dbraw/zinc/43/27/97/569432797.db2.gz QQJIIMFNLJAYOS-UHFFFAOYSA-N 0 0 441.622 5.267 50 0 IKAARN CCOCCCn1c(SCC(=O)c2ccccc2)nc2c3ccccc3sc2c1=O ZINC000002961987 569432816 /nfs/dbraw/zinc/43/28/16/569432816.db2.gz RRKZPZGETOIAQG-UHFFFAOYSA-N 0 0 438.574 5.013 50 0 IKAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000002965377 569432843 /nfs/dbraw/zinc/43/28/43/569432843.db2.gz TYEXQZZQGAFPEM-SFHVURJKSA-N 0 0 446.359 5.224 50 0 IKAARN CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)cs3)/c(=N/c3ccccc3)oc21 ZINC000002963887 569432931 /nfs/dbraw/zinc/43/29/31/569432931.db2.gz JQZAAIYWYRSRHA-SGEDCAFJSA-N 0 0 438.552 7.163 50 0 IKAARN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000002965474 569433013 /nfs/dbraw/zinc/43/30/13/569433013.db2.gz CNMGDSWVQLEDHD-LEWJYISDSA-N 0 0 448.592 5.014 50 0 IKAARN O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn21)c1ccc(Cl)cc1 ZINC000002968993 569433119 /nfs/dbraw/zinc/43/31/19/569433119.db2.gz VYVSOIYPUCZHCS-UHFFFAOYSA-N 0 0 430.920 5.573 50 0 IKAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3ccc(Cl)cc3)n2n1 ZINC000002969623 569433247 /nfs/dbraw/zinc/43/32/47/569433247.db2.gz SETBCWUWGWFMNC-UHFFFAOYSA-N 0 0 448.983 5.348 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000002970130 569433295 /nfs/dbraw/zinc/43/32/95/569433295.db2.gz WPEPVDRMKHSXSE-UHFFFAOYSA-N 0 0 444.556 5.143 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(OC(F)(F)F)cc2)n1Cc1cccs1 ZINC000002970544 569433406 /nfs/dbraw/zinc/43/34/06/569433406.db2.gz DBKYPGOMQDFUKW-UHFFFAOYSA-N 0 0 448.491 5.697 50 0 IKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002974287 569433532 /nfs/dbraw/zinc/43/35/32/569433532.db2.gz UUPGQCKJKIGQGE-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCCCC2)c1 ZINC000002975082 569433537 /nfs/dbraw/zinc/43/35/37/569433537.db2.gz ATUFBPSBDPLGGE-UHFFFAOYSA-N 0 0 436.481 6.487 50 0 IKAARN COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002974758 569433580 /nfs/dbraw/zinc/43/35/80/569433580.db2.gz YNPSUQVVFWYQDT-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)c(OC)c1 ZINC000057413089 569433804 /nfs/dbraw/zinc/43/38/04/569433804.db2.gz GNIVANRFEVOCHJ-UHFFFAOYSA-N 0 0 425.794 5.018 50 0 IKAARN O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002983333 569434327 /nfs/dbraw/zinc/43/43/27/569434327.db2.gz PAPIDQDMLIGMKE-AREMUKBSSA-N 0 0 435.479 5.720 50 0 IKAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000057426030 569434483 /nfs/dbraw/zinc/43/44/83/569434483.db2.gz DXXCFBCMLBZWFK-UHFFFAOYSA-N 0 0 439.965 5.027 50 0 IKAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1Cl ZINC000057426077 569434495 /nfs/dbraw/zinc/43/44/95/569434495.db2.gz DISPCFOYDQKLBT-UHFFFAOYSA-N 0 0 439.965 5.027 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)c(C)c2)cc1 ZINC000057426324 569434551 /nfs/dbraw/zinc/43/45/51/569434551.db2.gz OIDDDRRKJXTXJN-UHFFFAOYSA-N 0 0 449.601 5.162 50 0 IKAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057426438 569434624 /nfs/dbraw/zinc/43/46/24/569434624.db2.gz QRBZQTSQEAFEFK-UHFFFAOYSA-N 0 0 441.500 5.008 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)cc1C ZINC000057428514 569434907 /nfs/dbraw/zinc/43/49/07/569434907.db2.gz MIYNXUBZXDPTLM-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)N2CCCC2)C1 ZINC000002991111 569435066 /nfs/dbraw/zinc/43/50/66/569435066.db2.gz JLYZXDYYHMPRKC-MRXNPFEDSA-N 0 0 445.028 6.041 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000003006750 569435216 /nfs/dbraw/zinc/43/52/16/569435216.db2.gz YTDFUKHXHVGONM-DEOSSOPVSA-N 0 0 449.522 5.278 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1F)CC2 ZINC000003006791 569435227 /nfs/dbraw/zinc/43/52/27/569435227.db2.gz PPJXBQSMNLKTSO-DEOSSOPVSA-N 0 0 449.522 5.278 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)Cc1ccccc1)CC2 ZINC000003006762 569435228 /nfs/dbraw/zinc/43/52/28/569435228.db2.gz UCCSIPXIVDVBKJ-RUZDIDTESA-N 0 0 445.559 5.068 50 0 IKAARN CSc1cccc(Sc2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)c1 ZINC000003007831 569435233 /nfs/dbraw/zinc/43/52/33/569435233.db2.gz XIOAZEKTJDNITN-UHFFFAOYSA-N 0 0 434.561 6.177 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000003006749 569435239 /nfs/dbraw/zinc/43/52/39/569435239.db2.gz YTDFUKHXHVGONM-XMMPIXPASA-N 0 0 449.522 5.278 50 0 IKAARN C[C@@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000057452442 569435344 /nfs/dbraw/zinc/43/53/44/569435344.db2.gz UALUEOHVMCIOCF-YJYMSZOUSA-N 0 0 433.346 5.356 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 ZINC000003011794 569435392 /nfs/dbraw/zinc/43/53/92/569435392.db2.gz WXHSPRJVQCBVBU-QUCCMNQESA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 ZINC000003011797 569435400 /nfs/dbraw/zinc/43/54/00/569435400.db2.gz WXHSPRJVQCBVBU-AZUAARDMSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 ZINC000003011818 569435404 /nfs/dbraw/zinc/43/54/04/569435404.db2.gz FMYWLEARAXACJF-ICSRJNTNSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC(C)(C)CC(C)(C)C)cc3N2)cc1 ZINC000003011857 569435413 /nfs/dbraw/zinc/43/54/13/569435413.db2.gz ILFZSDGQNVHWQB-FUHWJXTLSA-N 0 0 436.522 5.796 50 0 IKAARN O=C(NC1CCCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000003011438 569435420 /nfs/dbraw/zinc/43/54/20/569435420.db2.gz SXBAQBYPKARVOQ-WBVHZDCISA-N 0 0 426.870 5.259 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000003012002 569435430 /nfs/dbraw/zinc/43/54/30/569435430.db2.gz QVZZBVCSEASWRH-AEFFLSMTSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)c1C ZINC000003011995 569435432 /nfs/dbraw/zinc/43/54/32/569435432.db2.gz ODJFFUZSLVHOPT-HKUYNNGSSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000003011997 569435438 /nfs/dbraw/zinc/43/54/38/569435438.db2.gz QVZZBVCSEASWRH-FUHWJXTLSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1ccc(Nc2cc(C(C)C)c(OS(=O)(=O)c3ccc(C)cc3)c(C(C)C)c2)cc1 ZINC000003012622 569435441 /nfs/dbraw/zinc/43/54/41/569435441.db2.gz BZRYJVGJDACEDK-UHFFFAOYSA-N 0 0 437.605 7.062 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)c1 ZINC000003011958 569435456 /nfs/dbraw/zinc/43/54/56/569435456.db2.gz XJTYZTOQGDECMK-IEBWSBKVSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCc5ccccc5C4)c3N2)cc1 ZINC000003012717 569435459 /nfs/dbraw/zinc/43/54/59/569435459.db2.gz GNZSKWKKXXDEMY-RTWAWAEBSA-N 0 0 440.469 5.050 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000003011960 569435461 /nfs/dbraw/zinc/43/54/61/569435461.db2.gz XJTYZTOQGDECMK-HKUYNNGSSA-N 0 0 448.876 6.066 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 ZINC000003015953 569435545 /nfs/dbraw/zinc/43/55/45/569435545.db2.gz VAGHFSCPNUWTRA-UHFFFAOYSA-N 0 0 443.812 5.310 50 0 IKAARN Cc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000057477786 569435825 /nfs/dbraw/zinc/43/58/25/569435825.db2.gz LQBZCOFZZBIILW-UHFFFAOYSA-N 0 0 432.877 5.451 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1F ZINC000003022568 569436005 /nfs/dbraw/zinc/43/60/05/569436005.db2.gz GCAFVUJCZRCKMD-UHFFFAOYSA-N 0 0 440.540 5.417 50 0 IKAARN CSc1nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c(=O)n1-c1ccccc1C ZINC000003027085 569436313 /nfs/dbraw/zinc/43/63/13/569436313.db2.gz LOGNCZZRYXZPJJ-UHFFFAOYSA-N 0 0 425.604 5.615 50 0 IKAARN CSc1nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c(=O)n1-c1ccc(F)cc1 ZINC000003027076 569436322 /nfs/dbraw/zinc/43/63/22/569436322.db2.gz XXWRCAXEROLNRM-UHFFFAOYSA-N 0 0 429.567 5.445 50 0 IKAARN CCOc1ccc(-n2c(=O)c3sc(=S)n(-c4ccc(C)c(C)c4)c3[nH]c2=S)cc1 ZINC000003027034 569436340 /nfs/dbraw/zinc/43/63/40/569436340.db2.gz UPZYWNKGFOAHAC-UHFFFAOYSA-N 0 0 441.603 5.646 50 0 IKAARN CSc1nc2c(sc(=S)n2-c2ccc(C)cc2C)c(=O)n1-c1ccccc1C ZINC000003027092 569436351 /nfs/dbraw/zinc/43/63/51/569436351.db2.gz RKNCFDHHSCQVAV-UHFFFAOYSA-N 0 0 425.604 5.615 50 0 IKAARN CCc1ccc(-n2c3nc(SC)n(-c4ccccc4C)c(=O)c3sc2=S)cc1 ZINC000003027088 569436355 /nfs/dbraw/zinc/43/63/55/569436355.db2.gz ZIKHUCOKKMLSKF-UHFFFAOYSA-N 0 0 425.604 5.560 50 0 IKAARN CC(C)c1ccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)cc1 ZINC000057486364 569436444 /nfs/dbraw/zinc/43/64/44/569436444.db2.gz JNLPMDQMQRDAIV-UHFFFAOYSA-N 0 0 427.367 6.005 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2ccc(C)c(C)c2)c2ccccc21 ZINC000003029315 569436688 /nfs/dbraw/zinc/43/66/88/569436688.db2.gz LTRPHETWOHXGDS-UHFFFAOYSA-N 0 0 427.617 6.677 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2cc(C)cc(C)c2)c2ccccc21 ZINC000003029318 569436697 /nfs/dbraw/zinc/43/66/97/569436697.db2.gz QTVDLJIQLFXCCY-UHFFFAOYSA-N 0 0 427.617 6.677 50 0 IKAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1Cl ZINC000057487273 569436698 /nfs/dbraw/zinc/43/66/98/569436698.db2.gz VCCQEURXZBVIGN-UHFFFAOYSA-N 0 0 443.290 5.159 50 0 IKAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000057487438 569436726 /nfs/dbraw/zinc/43/67/26/569436726.db2.gz YUDSGXZSXZNHKM-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN CCOc1ccc2c(c1)[C@H](SCC(=O)NCc1ccc(F)cc1)CC1(CCCC1)O2 ZINC000003029959 569436792 /nfs/dbraw/zinc/43/67/92/569436792.db2.gz IQHHSPXICGMITJ-JOCHJYFZSA-N 0 0 429.557 5.410 50 0 biogenic IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)c1 ZINC000057487799 569436822 /nfs/dbraw/zinc/43/68/22/569436822.db2.gz RWWOSJOMWISNNL-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488078 569436915 /nfs/dbraw/zinc/43/69/15/569436915.db2.gz VEWQWTGUIHEDEF-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c1 ZINC000057488567 569436925 /nfs/dbraw/zinc/43/69/25/569436925.db2.gz WPVAYNLZLJPZBF-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)c1 ZINC000057488247 569436930 /nfs/dbraw/zinc/43/69/30/569436930.db2.gz IWMAZQIDPJPPKA-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c1 ZINC000057488244 569436933 /nfs/dbraw/zinc/43/69/33/569436933.db2.gz WBQLKDAFPBEDRQ-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)c1 ZINC000057488313 569436938 /nfs/dbraw/zinc/43/69/38/569436938.db2.gz BEHWJMWFVSDMQK-UHFFFAOYSA-N 0 0 449.601 5.128 50 0 IKAARN COc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccccc2Cl)cc1Cl ZINC000003030887 569437628 /nfs/dbraw/zinc/43/76/28/569437628.db2.gz ADHRZPDEQACBDP-UHFFFAOYSA-N 0 0 425.699 5.549 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033206 569437843 /nfs/dbraw/zinc/43/78/43/569437843.db2.gz AXRGVMJKCDRAAM-UHFFFAOYSA-N 0 0 433.555 6.584 50 0 IKAARN CC[C@@H](Sc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1)C(=O)NC1CCCC1 ZINC000003033868 569437860 /nfs/dbraw/zinc/43/78/60/569437860.db2.gz HNKKIZFLWHOEEX-JOCHJYFZSA-N 0 0 446.620 5.752 50 0 IKAARN Cc1nc2c(C(=O)N[C@@H]3CCCC[C@@H]3C)cnn2c(C)c1Cc1ccc(F)cc1Cl ZINC000003033454 569437878 /nfs/dbraw/zinc/43/78/78/569437878.db2.gz UOMOFUBVNHICLT-YEJXKQKISA-N 0 0 428.939 5.038 50 0 IKAARN CCCCSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)n1-c1ccccc1 ZINC000003034854 569437887 /nfs/dbraw/zinc/43/78/87/569437887.db2.gz ZCMYAPUALOYBGV-UHFFFAOYSA-N 0 0 439.631 6.168 50 0 IKAARN Fc1ccccc1CN(C(=S)Nc1ccc(Oc2ccccc2)cc1)C1CCCCC1 ZINC000003036067 569437963 /nfs/dbraw/zinc/43/79/63/569437963.db2.gz ONFARFSLFFWALK-UHFFFAOYSA-N 0 0 434.580 7.150 50 0 IKAARN Cc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccccc2Cl)cc1 ZINC000003038463 569438003 /nfs/dbraw/zinc/43/80/03/569438003.db2.gz IHPFIZWLWSCNTD-OWZGOFHBSA-N 0 0 438.999 5.182 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccccc2F)N1CCc1ccc(Cl)cc1 ZINC000003038996 569438023 /nfs/dbraw/zinc/43/80/23/569438023.db2.gz DZLZBDOJJWVWOA-XMMPIXPASA-N 0 0 442.962 5.157 50 0 IKAARN COP(=O)(CN(Cc1ccccc1Cl)C(=S)Nc1c(C)cc(C)cc1C)OC ZINC000003039608 569438035 /nfs/dbraw/zinc/43/80/35/569438035.db2.gz SPBIRZHLNAYWGN-UHFFFAOYSA-N 0 0 440.933 5.908 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccccc2F)N1CCc1ccc(Cl)cc1 ZINC000003038992 569438039 /nfs/dbraw/zinc/43/80/39/569438039.db2.gz DZLZBDOJJWVWOA-DEOSSOPVSA-N 0 0 442.962 5.157 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(F)cc2Cl)N1CCc1ccccc1 ZINC000003039448 569438050 /nfs/dbraw/zinc/43/80/50/569438050.db2.gz FFTFNOGNNQJGMK-DEOSSOPVSA-N 0 0 442.962 5.157 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(Cl)cc2)N1CCC1=CCCCC1 ZINC000003039018 569438054 /nfs/dbraw/zinc/43/80/54/569438054.db2.gz RHJNJVXZSOCIME-DEOSSOPVSA-N 0 0 429.004 5.665 50 0 IKAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2cccs2)cc1 ZINC000003040102 569438080 /nfs/dbraw/zinc/43/80/80/569438080.db2.gz QBDVFAOTVOAPGM-DEOSSOPVSA-N 0 0 440.609 5.172 50 0 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/nfs/dbraw/zinc/43/85/88/569438588.db2.gz SWHWOHIUHWRDNQ-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN CCCCOc1ccc(-c2cc3c(SCc4ccc(F)cc4Cl)nccn3n2)cc1 ZINC000057510869 569438594 /nfs/dbraw/zinc/43/85/94/569438594.db2.gz WCUZZXBMBJIDOM-UHFFFAOYSA-N 0 0 441.959 6.660 50 0 IKAARN Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NCCc4ccccc4Cl)cnn3c2C)c1 ZINC000003045342 569438611 /nfs/dbraw/zinc/43/86/11/569438611.db2.gz ABHRBAUIUDJJOB-UHFFFAOYSA-N 0 0 446.982 5.180 50 0 IKAARN Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc(Cl)cc4)cnn3c2C)c1 ZINC000003045323 569438616 /nfs/dbraw/zinc/43/86/16/569438616.db2.gz ACVLBTYPVHVJEP-UHFFFAOYSA-N 0 0 432.955 5.137 50 0 IKAARN O=C(CSc1cccc(Cl)c1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000003047532 569438665 /nfs/dbraw/zinc/43/86/65/569438665.db2.gz AIGGAUTXRHTMEU-UHFFFAOYSA-N 0 0 429.781 6.501 50 0 IKAARN CCCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1C ZINC000057523093 569439044 /nfs/dbraw/zinc/43/90/44/569439044.db2.gz JSSSAERTSVRMHS-UHFFFAOYSA-N 0 0 446.576 5.231 50 0 IKAARN Cc1cc(C)cc(-n2c(CSc3cccc(Cl)c3)nc3cc(Cl)ccc3c2=O)c1 ZINC000003050402 569439153 /nfs/dbraw/zinc/43/91/53/569439153.db2.gz BZRNLCWWTXTSMH-UHFFFAOYSA-N 0 0 441.383 6.602 50 0 IKAARN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000230138196 569439198 /nfs/dbraw/zinc/43/91/98/569439198.db2.gz IBNFQZMCZXLXIE-PKRYRCNMSA-N 0 0 448.651 6.290 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003054440 569439339 /nfs/dbraw/zinc/43/93/39/569439339.db2.gz SDQOGKPTSPLNQO-INIZCTEOSA-N 0 0 434.536 5.666 50 0 IKAARN COc1ccccc1Nc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1 ZINC000003053850 569439377 /nfs/dbraw/zinc/43/93/77/569439377.db2.gz YTDWXXHFXDOAQU-LJQANCHMSA-N 0 0 425.532 5.738 50 0 IKAARN O=C(N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000003053564 569439378 /nfs/dbraw/zinc/43/93/78/569439378.db2.gz NIPQTOFTDBGOJN-AWEZNQCLSA-N 0 0 447.960 6.152 50 0 IKAARN COc1ccc(OC)c(Nc2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)c1 ZINC000003056916 569439406 /nfs/dbraw/zinc/43/94/06/569439406.db2.gz FYZQJGFKARYMES-UHFFFAOYSA-N 0 0 431.467 5.065 50 0 IKAARN O=C(NC1CCCCCCC1)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003057739 569439407 /nfs/dbraw/zinc/43/94/07/569439407.db2.gz YZKINJBKJPGXRB-UHFFFAOYSA-N 0 0 441.497 6.840 50 0 IKAARN Cc1ccccc1CSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 ZINC000003059200 569439415 /nfs/dbraw/zinc/43/94/15/569439415.db2.gz GUZIGDRJEYCHGP-UHFFFAOYSA-N 0 0 426.994 5.955 50 0 IKAARN O=C(c1ccc(F)cc1)c1cc(C(=O)c2ccc(F)cc2)cc(C(=O)c2ccc(F)cc2)c1 ZINC000003057070 569439432 /nfs/dbraw/zinc/43/94/32/569439432.db2.gz DNLRPRKUMOVZJR-UHFFFAOYSA-N 0 0 444.408 5.797 50 0 IKAARN COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000230141499 569439502 /nfs/dbraw/zinc/43/95/02/569439502.db2.gz VPKBWBFNBSRWOB-NDEPHWFRSA-N 0 0 449.550 5.774 50 0 IKAARN CCN1c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccccc2C1=O ZINC000003060494 569439546 /nfs/dbraw/zinc/43/95/46/569439546.db2.gz SZBGXVJOCRUSEE-UHFFFAOYSA-N 0 0 436.964 5.444 50 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569439817 /nfs/dbraw/zinc/43/98/17/569439817.db2.gz UBEWELLQXXQGQZ-UHFFFAOYSA-N 0 0 440.446 6.628 50 0 IKAARN Cc1ccc(OC(=O)NC(Sc2ccccc2)(Sc2ccccc2)C(F)(F)F)cc1 ZINC000003098945 569440144 /nfs/dbraw/zinc/44/01/44/569440144.db2.gz QLHQVIYQNBQFEP-UHFFFAOYSA-N 0 0 449.519 6.884 50 0 IKAARN COC(=O)c1ccccc1Sc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 ZINC000003104486 569440182 /nfs/dbraw/zinc/44/01/82/569440182.db2.gz UYLYYHSUIDACTK-UHFFFAOYSA-N 0 0 444.581 6.374 50 0 IKAARN CCOC(=O)Cc1csc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000057612498 569440183 /nfs/dbraw/zinc/44/01/83/569440183.db2.gz FVPNOHLXWYUZNJ-UHFFFAOYSA-N 0 0 434.439 5.187 50 0 IKAARN Cc1ccc(SCc2nn(C)c(Cl)c2CSc2c(Cl)cccc2Cl)cc1 ZINC000003105902 569440249 /nfs/dbraw/zinc/44/02/49/569440249.db2.gz YGBFNBHCVRAVAW-UHFFFAOYSA-N 0 0 443.852 7.273 50 0 IKAARN COC(=O)c1ccccc1Oc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 ZINC000003104487 569440256 /nfs/dbraw/zinc/44/02/56/569440256.db2.gz QCVWNLSZWXZVRQ-UHFFFAOYSA-N 0 0 428.513 6.015 50 0 IKAARN O=C(Nc1ccccc1)N1CCc2ccccc2[C@H]1Cc1ncc(C(F)(F)F)cc1Cl ZINC000003105466 569440286 /nfs/dbraw/zinc/44/02/86/569440286.db2.gz LIYNJSOXIQLZNA-OAQYLSRUSA-N 0 0 445.872 6.128 50 0 IKAARN Cn1nc(CSc2ccc(Cl)cc2)c(CSc2ccc(Cl)cc2)c1Cl ZINC000003105786 569440288 /nfs/dbraw/zinc/44/02/88/569440288.db2.gz ZWNMHJYDWCJVDN-UHFFFAOYSA-N 0 0 429.825 6.965 50 0 IKAARN O=c1c(Cl)c(Sc2ccc(Br)cc2)cnn1-c1cccc(Cl)c1 ZINC000003104682 569440289 /nfs/dbraw/zinc/44/02/89/569440289.db2.gz MDKGWTMPXVKQTL-UHFFFAOYSA-N 0 0 428.138 5.453 50 0 IKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)nc1 ZINC000003108103 569440299 /nfs/dbraw/zinc/44/02/99/569440299.db2.gz DDVQKYQPKSCXDN-UHFFFAOYSA-N 0 0 431.561 6.352 50 0 IKAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000030013309 569440302 /nfs/dbraw/zinc/44/03/02/569440302.db2.gz BFLJZKQEXRIPJR-UHFFFAOYSA-N 0 0 428.540 5.111 50 0 IKAARN Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)cc1Cl ZINC000003111137 569440410 /nfs/dbraw/zinc/44/04/10/569440410.db2.gz JRULGJFFLAPDMF-UHFFFAOYSA-N 0 0 431.201 5.033 50 0 IKAARN COc1ccccc1Nc1nc(Nc2ccccc2OC)nc(Nc2ccccc2OC)n1 ZINC000003117261 569440454 /nfs/dbraw/zinc/44/04/54/569440454.db2.gz LHLNDKSXYQBCFM-UHFFFAOYSA-N 0 0 444.495 5.128 50 0 IKAARN COc1cnc(SCc2ccc(Cl)cc2)nc1Oc1cc(Cl)cc(Cl)c1 ZINC000003128590 569440596 /nfs/dbraw/zinc/44/05/96/569440596.db2.gz LLLVORZZNBHCHQ-UHFFFAOYSA-N 0 0 427.740 6.530 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000003125530 569440602 /nfs/dbraw/zinc/44/06/02/569440602.db2.gz PQNBDFRJTMVKGV-UHFFFAOYSA-N 0 0 441.339 5.950 50 0 IKAARN O=S(=O)(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000003128215 569440611 /nfs/dbraw/zinc/44/06/11/569440611.db2.gz QUTBTJZIAWJPGI-UHFFFAOYSA-N 0 0 441.763 5.357 50 0 IKAARN O=S(=O)(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000003128224 569440631 /nfs/dbraw/zinc/44/06/31/569440631.db2.gz ATNNJSDTVBYIJX-UHFFFAOYSA-N 0 0 441.763 5.357 50 0 IKAARN O=P(NCC(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000003123422 569440633 /nfs/dbraw/zinc/44/06/33/569440633.db2.gz IGOJNSJMQAQSHN-UHFFFAOYSA-N 0 0 429.456 6.674 50 0 IKAARN COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Sc1ccccc1Cl ZINC000003133186 569440695 /nfs/dbraw/zinc/44/06/95/569440695.db2.gz ZKNZDHTWFWQRAZ-UHFFFAOYSA-N 0 0 443.808 6.889 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)n1cc(-c2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000003133255 569440705 /nfs/dbraw/zinc/44/07/05/569440705.db2.gz MRBXBBQZISFQGP-UHFFFAOYSA-N 0 0 434.727 5.716 50 0 IKAARN COc1ccc(Sc2nc(SCc3c(Cl)cccc3Cl)ncc2OC)cc1 ZINC000003133207 569440757 /nfs/dbraw/zinc/44/07/57/569440757.db2.gz OLDOUOZJESQAJY-UHFFFAOYSA-N 0 0 439.389 6.244 50 0 IKAARN Cc1ccc(Oc2c(COC(=O)c3ccccc3Cl)c(-c3ccccc3)nn2C)cc1 ZINC000003135103 569440786 /nfs/dbraw/zinc/44/07/86/569440786.db2.gz IOTWHDQEDXMKGX-UHFFFAOYSA-N 0 0 432.907 6.198 50 0 IKAARN Cc1ccc(Sc2c(COC(=O)Nc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000003135102 569440788 /nfs/dbraw/zinc/44/07/88/569440788.db2.gz GKOFTFTXZMMMKY-UHFFFAOYSA-N 0 0 429.545 6.295 50 0 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ZINC000003180108 569441305 /nfs/dbraw/zinc/44/13/05/569441305.db2.gz NGADGFMHVAHYHS-UHFFFAOYSA-N 0 0 441.620 5.764 50 0 IKAARN CCc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N(CC)CC)cc3)n2)cc1 ZINC000003188347 569441424 /nfs/dbraw/zinc/44/14/24/569441424.db2.gz WWXKVXDSYNWMJV-UHFFFAOYSA-N 0 0 438.622 5.346 50 0 IKAARN Cc1ccc(C(NC(=O)N(Cc2ccccc2)Cc2ccccc2)=C(Cl)Cl)cc1F ZINC000003189672 569441439 /nfs/dbraw/zinc/44/14/39/569441439.db2.gz WMPOJBHEQNLXGL-UHFFFAOYSA-N 0 0 443.349 6.650 50 0 IKAARN CC1=C(C)SC(=c2sc3n(c2=O)[C@@H](c2ccccc2)C=C(c2ccc(C)cc2)N=3)S1 ZINC000003192618 569441485 /nfs/dbraw/zinc/44/14/85/569441485.db2.gz SKJZXGBFYINVQM-HXUWFJFHSA-N 0 0 448.638 5.279 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000003193538 569441490 /nfs/dbraw/zinc/44/14/90/569441490.db2.gz BHJHPBVDGIXULH-UHFFFAOYSA-N 0 0 438.421 7.016 50 0 IKAARN CCc1ccc(N[C@@H](CC(=O)c2ccc(CC)cc2)c2ccc(Br)cc2)cc1 ZINC000003193951 569441500 /nfs/dbraw/zinc/44/15/00/569441500.db2.gz GLNRUCBNBZTYHF-DEOSSOPVSA-N 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ZINC000003209624 569441737 /nfs/dbraw/zinc/44/17/37/569441737.db2.gz FGNOQMWUOUTTTQ-UHFFFAOYSA-N 0 0 446.984 7.598 50 0 IKAARN COc1ccc(-c2nc(N(Cc3ccccc3)C(=O)CN3CCCCC3)sc2C)cc1 ZINC000003213756 569441795 /nfs/dbraw/zinc/44/17/95/569441795.db2.gz AGLJSDRSUCITMN-UHFFFAOYSA-N 0 0 435.593 5.146 50 0 IKAARN CCN(CC)c1ccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 ZINC000003216386 569441864 /nfs/dbraw/zinc/44/18/64/569441864.db2.gz PEJJLJQTEMXBGT-UHFFFAOYSA-N 0 0 438.612 5.923 50 0 IKAARN O=C(COC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21)NCc1ccco1 ZINC000003217735 569441932 /nfs/dbraw/zinc/44/19/32/569441932.db2.gz UOVRVAJMTLCIRM-UHFFFAOYSA-N 0 0 436.467 5.121 50 0 IKAARN Fc1ccc(-n2c(=S)n(CN3CCc4ccccc4C3)nc2-c2ccccc2)c(F)c1 ZINC000003223155 569442045 /nfs/dbraw/zinc/44/20/45/569442045.db2.gz OXQOPUAEZWJYSR-UHFFFAOYSA-N 0 0 434.515 5.364 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccccc3)C(C)(C)C)cc2)cc1 ZINC000003223876 569442056 /nfs/dbraw/zinc/44/20/56/569442056.db2.gz PGTNXUNUCXIGRF-UHFFFAOYSA-N 0 0 436.577 5.237 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)c3ccc(C)c(C)c3)cc12 ZINC000003224871 569442119 /nfs/dbraw/zinc/44/21/19/569442119.db2.gz MJHACAOJGHTAKF-UHFFFAOYSA-N 0 0 438.936 5.705 50 0 IKAARN CCCNC(=S)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 ZINC000003227214 569442178 /nfs/dbraw/zinc/44/21/78/569442178.db2.gz OUBVTLJWSNGPDE-UHFFFAOYSA-N 0 0 428.605 5.790 50 0 IKAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2ccc(F)cc2)cc1 ZINC000003227056 569442191 /nfs/dbraw/zinc/44/21/91/569442191.db2.gz RPPDJUJJHDZQBO-JWQCQUIFSA-N 0 0 449.572 6.154 50 0 IKAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2ccc(F)cc2)cc1 ZINC000003227058 569442200 /nfs/dbraw/zinc/44/22/00/569442200.db2.gz RPPDJUJJHDZQBO-RPBOFIJWSA-N 0 0 449.572 6.154 50 0 IKAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000003231600 569442310 /nfs/dbraw/zinc/44/23/10/569442310.db2.gz SAQITWDENGVYAZ-UHFFFAOYSA-N 0 0 444.531 5.051 50 0 IKAARN O=C(COC(=O)c1cccc(OC(F)F)c1)N1c2ccccc2Sc2ccccc21 ZINC000003232998 569442334 /nfs/dbraw/zinc/44/23/34/569442334.db2.gz SWQNGKDKOQLZEU-UHFFFAOYSA-N 0 0 427.428 5.274 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000003232632 569442335 /nfs/dbraw/zinc/44/23/35/569442335.db2.gz OGVGIIFADKSGHD-UHFFFAOYSA-N 0 0 432.343 5.033 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC(=O)c1ccc(Cl)cc1Cl ZINC000003233293 569442360 /nfs/dbraw/zinc/44/23/60/569442360.db2.gz ZUFXQPNYFWESBP-UHFFFAOYSA-N 0 0 442.509 5.759 50 0 IKAARN Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000003234553 569442365 /nfs/dbraw/zinc/44/23/65/569442365.db2.gz FWJUALGBOZNHRH-UHFFFAOYSA-N 0 0 438.321 5.528 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1C ZINC000003235233 569442408 /nfs/dbraw/zinc/44/24/08/569442408.db2.gz SXWZKJVOOWOLDD-UHFFFAOYSA-N 0 0 434.492 5.840 50 0 IKAARN O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000003237033 569442439 /nfs/dbraw/zinc/44/24/39/569442439.db2.gz 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O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)cc1 ZINC000003243198 569442656 /nfs/dbraw/zinc/44/26/56/569442656.db2.gz TXWIBAZSCUQREK-LJQANCHMSA-N 0 0 433.813 5.896 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000003244933 569442681 /nfs/dbraw/zinc/44/26/81/569442681.db2.gz ZQEXXYVABMEYJO-UHFFFAOYSA-N 0 0 446.963 5.898 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)c(Cl)c1 ZINC000003244052 569442688 /nfs/dbraw/zinc/44/26/88/569442688.db2.gz CGUAKDVDAMQUNN-UHFFFAOYSA-N 0 0 436.920 5.721 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000003245400 569442733 /nfs/dbraw/zinc/44/27/33/569442733.db2.gz CGUDDEHJWZKUSN-AWEZNQCLSA-N 0 0 426.611 6.143 50 0 IKAARN CCN(C(=O)COC(=O)CCSc1ccccc1Cl)c1cccc2ccccc21 ZINC000003248243 569442771 /nfs/dbraw/zinc/44/27/71/569442771.db2.gz AZKDCEVOIGXRID-UHFFFAOYSA-N 0 0 427.953 5.572 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000003247032 569442783 /nfs/dbraw/zinc/44/27/83/569442783.db2.gz NDDGBVPKUVDLSW-INIZCTEOSA-N 0 0 444.512 5.350 50 0 IKAARN O=C(Oc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c1)c1ccccc1Cl ZINC000003252737 569442951 /nfs/dbraw/zinc/44/29/51/569442951.db2.gz LIHYLGZBTZYBCG-UHFFFAOYSA-N 0 0 442.858 5.518 50 0 IKAARN Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2Cc2ccccc2)cc1 ZINC000003252386 569442953 /nfs/dbraw/zinc/44/29/53/569442953.db2.gz PGSMELIHGRGBQW-UHFFFAOYSA-N 0 0 449.004 6.549 50 0 IKAARN CCN(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003255017 569443023 /nfs/dbraw/zinc/44/30/23/569443023.db2.gz IYZMPXRNYDRWKQ-UHFFFAOYSA-N 0 0 443.425 5.054 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccccc1)c1ccc(F)cc1 ZINC000003254649 569443027 /nfs/dbraw/zinc/44/30/27/569443027.db2.gz UZLDXWXSFOVFKG-UHFFFAOYSA-N 0 0 428.492 5.530 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)c1 ZINC000003256394 569443058 /nfs/dbraw/zinc/44/30/58/569443058.db2.gz HAUVYBBAPNLZMS-UHFFFAOYSA-N 0 0 426.354 5.023 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)c2ccc(Br)cc2)sc1Nc1ccccc1 ZINC000003257592 569443112 /nfs/dbraw/zinc/44/31/12/569443112.db2.gz MSBYOXUWPPAZEY-UHFFFAOYSA-N 0 0 444.350 5.970 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 ZINC000003256833 569443153 /nfs/dbraw/zinc/44/31/53/569443153.db2.gz BRVNMJSDHWUDBX-UHFFFAOYSA-N 0 0 443.588 7.357 50 0 IKAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1)OCc1ccccc1 ZINC000003262633 569443279 /nfs/dbraw/zinc/44/32/79/569443279.db2.gz CDIRDAOIDXAJHT-QHCPKHFHSA-N 0 0 447.922 5.298 50 0 IKAARN O=C(NC(=S)Nc1cccc(O)c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003262451 569443281 /nfs/dbraw/zinc/44/32/81/569443281.db2.gz OXZYMZVMESBYNA-UHFFFAOYSA-N 0 0 433.920 5.388 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)Nc1ncc(Cl)cc1Cl ZINC000003262664 569443283 /nfs/dbraw/zinc/44/32/83/569443283.db2.gz VSBIRVKBNVAKRO-UHFFFAOYSA-N 0 0 447.372 5.791 50 0 IKAARN Cc1cc(C)cc(N(C(=O)c2cc3ccccc3oc2=O)c2nc3ccccc3s2)c1 ZINC000003261945 569443319 /nfs/dbraw/zinc/44/33/19/569443319.db2.gz MKFYWTNBMJWAGK-UHFFFAOYSA-N 0 0 426.497 5.998 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)s2)c1 ZINC000003271788 569443609 /nfs/dbraw/zinc/44/36/09/569443609.db2.gz UYISEJDQWVJRRB-UHFFFAOYSA-N 0 0 444.670 6.176 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000003273402 569443629 /nfs/dbraw/zinc/44/36/29/569443629.db2.gz GHPPFNMNMQIFAV-UHFFFAOYSA-N 0 0 431.941 5.656 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](OC(=O)c1ccc(O)cc1)c1ccccc1 ZINC000003274655 569443689 /nfs/dbraw/zinc/44/36/89/569443689.db2.gz XRBJXIHULPTJMZ-IBGZPJMESA-N 0 0 449.812 5.601 50 0 IKAARN CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1 ZINC000003275933 569443702 /nfs/dbraw/zinc/44/37/02/569443702.db2.gz RUSUAUNJOLOKNE-UHFFFAOYSA-N 0 0 436.379 6.384 50 0 IKAARN COc1ccc(-c2cc3ccccn3c2C(=O)c2cc(Br)ccc2Cl)cc1 ZINC000003276735 569443742 /nfs/dbraw/zinc/44/37/42/569443742.db2.gz UFUSDMPMCKEGJD-UHFFFAOYSA-N 0 0 440.724 6.262 50 0 IKAARN COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc(OC(F)F)cc2)s1 ZINC000003277566 569443743 /nfs/dbraw/zinc/44/37/43/569443743.db2.gz PISQLVWDOKPGNL-UHFFFAOYSA-N 0 0 437.493 5.175 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000003278823 569443786 /nfs/dbraw/zinc/44/37/86/569443786.db2.gz JQBYWGHADGQMTC-UHFFFAOYSA-N 0 0 444.963 5.974 50 0 IKAARN CN(C)c1cccc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 ZINC000003279868 569443830 /nfs/dbraw/zinc/44/38/30/569443830.db2.gz VASOPKMZGRJUDH-OAQYLSRUSA-N 0 0 443.330 5.596 50 0 IKAARN O=C(Oc1ccc2oc3ccccc3c2c1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000003281486 569443883 /nfs/dbraw/zinc/44/38/83/569443883.db2.gz CAUDEPIRRQPJRN-UHFFFAOYSA-N 0 0 428.871 7.038 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2C(F)(F)F)c2ccccc2)c1 ZINC000003280618 569443886 /nfs/dbraw/zinc/44/38/86/569443886.db2.gz ZGRMMHRZJMLQSK-OAQYLSRUSA-N 0 0 441.405 5.445 50 0 IKAARN CCc1cccc2c(C(=O)CSc3nnc(-c4ccco4)n3-c3ccccc3)c[nH]c21 ZINC000003284409 569444019 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O=C(Nc1ccccc1C(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccco1 ZINC000003288074 569444179 /nfs/dbraw/zinc/44/41/79/569444179.db2.gz FGCWQYPASYIRRN-QHCPKHFHSA-N 0 0 431.875 6.132 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000003287237 569444199 /nfs/dbraw/zinc/44/41/99/569444199.db2.gz LAJOTRYCLZLFQW-LJQANCHMSA-N 0 0 439.515 5.286 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1C=O)N1C=C(Cl)C=C(Cl)C1=N2 ZINC000003290035 569444212 /nfs/dbraw/zinc/44/42/12/569444212.db2.gz MBNYTADRMBGCHF-QFIPXVFZSA-N 0 0 449.341 5.953 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(C)cc1)N1c3ccccc3C=CC1=N2 ZINC000003290240 569444221 /nfs/dbraw/zinc/44/42/21/569444221.db2.gz CIWBTEWASSYBSP-AREMUKBSSA-N 0 0 436.946 6.809 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1C=O)N1C=C(Cl)C=C(Cl)C1=N2 ZINC000003290033 569444223 /nfs/dbraw/zinc/44/42/23/569444223.db2.gz MBNYTADRMBGCHF-JOCHJYFZSA-N 0 0 449.341 5.953 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2ncnc3sc4c(c32)CCC4)c2ccccc2)c1 ZINC000003288960 569444253 /nfs/dbraw/zinc/44/42/53/569444253.db2.gz LGMGZAFHJGILIM-JOCHJYFZSA-N 0 0 445.613 6.269 50 0 IKAARN O=C(N1CCC[C@@H]1c1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000057993505 569444278 /nfs/dbraw/zinc/44/42/78/569444278.db2.gz DBGDOGRJRBHYRW-HDICACEKSA-N 0 0 434.590 6.000 50 0 IKAARN Cc1cccc(CN(Cn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)C2CC2)c1 ZINC000057993000 569444307 /nfs/dbraw/zinc/44/43/07/569444307.db2.gz ZTARKGNFYWDMPF-UHFFFAOYSA-N 0 0 431.486 5.272 50 0 IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccc(Cl)cc1)CO3 ZINC000057996617 569444340 /nfs/dbraw/zinc/44/43/40/569444340.db2.gz CTEDNZFMPVNCAO-UHFFFAOYSA-N 0 0 431.919 5.698 50 0 biogenic IKAARN CCn1ccc2cc(NC(=O)/C=C/c3csc(N(C(C)=O)c4ccccc4F)n3)ccc21 ZINC000057994777 569444366 /nfs/dbraw/zinc/44/43/66/569444366.db2.gz ZWEQAOSFXBAEMG-PKNBQFBNSA-N 0 0 448.523 5.593 50 0 IKAARN Cc1sc(NC(=O)c2ccc3nc(C)c(C)nc3c2)nc1-c1ccc(OC(F)F)cc1 ZINC000057996860 569444369 /nfs/dbraw/zinc/44/43/69/569444369.db2.gz ZOPFJGPRGPWCJN-UHFFFAOYSA-N 0 0 440.475 5.532 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)N1CC=C(c3ccccc3)CC1)oc1ccccc12 ZINC000003292525 569444474 /nfs/dbraw/zinc/44/44/74/569444474.db2.gz OXNVDTPFHPOECC-SFHVURJKSA-N 0 0 426.516 5.711 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)c1C ZINC000003292370 569444485 /nfs/dbraw/zinc/44/44/85/569444485.db2.gz GOFOMYJXZLILLJ-UHFFFAOYSA-N 0 0 436.509 5.231 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000003294273 569444532 /nfs/dbraw/zinc/44/45/32/569444532.db2.gz NKDXOIKHNFDSHT-UHFFFAOYSA-N 0 0 444.004 5.290 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003293194 569444549 /nfs/dbraw/zinc/44/45/49/569444549.db2.gz SPQAZJOZRLEVSG-OAQYLSRUSA-N 0 0 429.303 5.192 50 0 IKAARN Cc1cc(C)c(NC(=O)Cc2sc(Nc3ccccc3)nc2-c2ccccc2)c(C)c1 ZINC000003294526 569444600 /nfs/dbraw/zinc/44/46/00/569444600.db2.gz ZECVCVVCRIVHLP-UHFFFAOYSA-N 0 0 427.573 6.660 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)c(OC)c1 ZINC000003294830 569444605 /nfs/dbraw/zinc/44/46/05/569444605.db2.gz XPXMPLHULQLADS-UHFFFAOYSA-N 0 0 449.507 5.184 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4cccc(C)c4O)cc3)sc2c1 ZINC000003294575 569444621 /nfs/dbraw/zinc/44/46/21/569444621.db2.gz HOFILJYQBPLIKE-UHFFFAOYSA-N 0 0 432.501 5.081 50 0 IKAARN Clc1ccc(CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1Cl ZINC000003295780 569444635 /nfs/dbraw/zinc/44/46/35/569444635.db2.gz YCHAWFJMIIQCRY-UHFFFAOYSA-N 0 0 446.359 6.098 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000003296099 569444659 /nfs/dbraw/zinc/44/46/59/569444659.db2.gz ZIJBYMNHUHZCAY-UHFFFAOYSA-N 0 0 427.422 5.785 50 0 IKAARN O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1Br ZINC000003296418 569444740 /nfs/dbraw/zinc/44/47/40/569444740.db2.gz XNAVWGCZJSWLPK-OAQYLSRUSA-N 0 0 441.346 5.709 50 0 IKAARN C[C@@H](Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21)C(=O)NC(C)(C)C ZINC000058008662 569444767 /nfs/dbraw/zinc/44/47/67/569444767.db2.gz KWXZEGAADCBFSK-OAHLLOKOSA-N 0 0 431.565 5.135 50 0 IKAARN Fc1ccc(CSc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc43)o2)cc1 ZINC000003297335 569444801 /nfs/dbraw/zinc/44/48/01/569444801.db2.gz YUFVAIKBTXGLPN-UHFFFAOYSA-N 0 0 447.922 7.037 50 0 IKAARN O=C(OCC(=O)c1ccccc1Br)c1sc2cc(Cl)ccc2c1Cl ZINC000003297107 569444804 /nfs/dbraw/zinc/44/48/04/569444804.db2.gz CWVBDYLNYDSQMF-UHFFFAOYSA-N 0 0 444.133 6.010 50 0 IKAARN COc1ccc(N2C(=O)C[C@H](Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)cc1 ZINC000003296743 569444806 /nfs/dbraw/zinc/44/48/06/569444806.db2.gz DFSLTBIIAOXHSC-NRFANRHFSA-N 0 0 443.528 5.024 50 0 IKAARN COc1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c3c2CCCC3)cc1 ZINC000003296565 569444818 /nfs/dbraw/zinc/44/48/18/569444818.db2.gz FCVNPBUQECQXQE-UHFFFAOYSA-N 0 0 442.378 6.373 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COc3ncnc4sccc43)cc2)cc1 ZINC000003297958 569444837 /nfs/dbraw/zinc/44/48/37/569444837.db2.gz WFVXSLRGYUQVNP-UHFFFAOYSA-N 0 0 447.560 6.189 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Nc3ccc(C)cc3)c2c1C ZINC000003299373 569444891 /nfs/dbraw/zinc/44/48/91/569444891.db2.gz VPTDXLNXCZGVCO-UHFFFAOYSA-N 0 0 449.601 6.521 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1c[nH]c2ccccc21 ZINC000003298782 569444897 /nfs/dbraw/zinc/44/48/97/569444897.db2.gz WOKHJIONAXVRDV-UHFFFAOYSA-N 0 0 446.915 6.138 50 0 IKAARN O=c1c2ccc(Cl)cc2nc(SCCOc2ccccc2Cl)n1-c1ccccc1 ZINC000003299587 569444921 /nfs/dbraw/zinc/44/49/21/569444921.db2.gz NTGBYYNFIDLWCX-UHFFFAOYSA-N 0 0 443.355 5.864 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c(C)c1 ZINC000058010900 569444996 /nfs/dbraw/zinc/44/49/96/569444996.db2.gz HZWDHDKOFJCOBK-WOJBJXKFSA-N 0 0 447.604 5.368 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003302275 569445094 /nfs/dbraw/zinc/44/50/94/569445094.db2.gz MHXUDAZADYJOJP-XMMPIXPASA-N 0 0 440.528 5.474 50 0 IKAARN O=c1[nH]c(CSc2ncc(C(F)(F)F)cc2Cl)nc2sc3c(c21)CCCC3 ZINC000003303612 569445122 /nfs/dbraw/zinc/44/51/22/569445122.db2.gz LCOOKZMNCLRUGF-UHFFFAOYSA-N 0 0 431.892 5.223 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2)c1 ZINC000003302736 569445145 /nfs/dbraw/zinc/44/51/45/569445145.db2.gz WSHULJBVTGYSER-GDLZYMKVSA-N 0 0 449.550 6.436 50 0 IKAARN Fc1ccccc1Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000003304489 569445186 /nfs/dbraw/zinc/44/51/86/569445186.db2.gz NVQTZVQZTHFXPP-UHFFFAOYSA-N 0 0 441.984 7.008 50 0 IKAARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003303944 569445188 /nfs/dbraw/zinc/44/51/88/569445188.db2.gz JIDBCDNGSBWYDO-UHFFFAOYSA-N 0 0 442.604 5.341 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000003304970 569445239 /nfs/dbraw/zinc/44/52/39/569445239.db2.gz JBXCOPHWJIDIEV-UHFFFAOYSA-N 0 0 438.458 5.954 50 0 IKAARN O=C(Nc1nncs1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003306288 569445265 /nfs/dbraw/zinc/44/52/65/569445265.db2.gz VRXZFUGAQCLJKC-UHFFFAOYSA-N 0 0 435.723 5.966 50 0 IKAARN Cc1nc2sc3c(c2c(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1)CCC3 ZINC000003307853 569445305 /nfs/dbraw/zinc/44/53/05/569445305.db2.gz JCQNNFGGHWFIAC-SECBINFHSA-N 0 0 438.405 5.915 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000003309527 569445325 /nfs/dbraw/zinc/44/53/25/569445325.db2.gz PQDHVPIMRAKEPJ-UHFFFAOYSA-N 0 0 444.314 5.676 50 0 IKAARN O=C(OCCOc1ccc(Br)cc1)c1c2ccccc2nc2c1CCCCC2 ZINC000003309429 569445326 /nfs/dbraw/zinc/44/53/26/569445326.db2.gz DOTMKBUYMYAYED-UHFFFAOYSA-N 0 0 440.337 5.502 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003312009 569445513 /nfs/dbraw/zinc/44/55/13/569445513.db2.gz KWQDYPYTRANPCT-QHCPKHFHSA-N 0 0 449.428 6.395 50 0 IKAARN c1csc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2-c2ccccc2)c1 ZINC000003313435 569445571 /nfs/dbraw/zinc/44/55/71/569445571.db2.gz WVZOLPDKKJWVIY-UHFFFAOYSA-N 0 0 432.599 6.412 50 0 IKAARN COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)nc3ccccc32)c2ccccc2)c1 ZINC000003315457 569445693 /nfs/dbraw/zinc/44/56/93/569445693.db2.gz JBEJOMJWCYSEPN-XMMPIXPASA-N 0 0 426.472 5.089 50 0 IKAARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000003315468 569445706 /nfs/dbraw/zinc/44/57/06/569445706.db2.gz POBNIKLEKLQWTE-UHFFFAOYSA-N 0 0 432.501 5.076 50 0 IKAARN CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000003316644 569445759 /nfs/dbraw/zinc/44/57/59/569445759.db2.gz OTWNWWZHZVUTNU-CYBMUJFWSA-N 0 0 442.865 5.389 50 0 IKAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1Cl ZINC000003316500 569445760 /nfs/dbraw/zinc/44/57/60/569445760.db2.gz BTHSDNGHJNIFTN-HXUWFJFHSA-N 0 0 448.733 6.492 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(SC(F)F)cc3)c2n1 ZINC000003316393 569445769 /nfs/dbraw/zinc/44/57/69/569445769.db2.gz VNHZGARKIRPRRF-UHFFFAOYSA-N 0 0 443.302 6.182 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000003319576 569445873 /nfs/dbraw/zinc/44/58/73/569445873.db2.gz LZCWWOSAFSUJDG-IAGOWNOFSA-N 0 0 441.000 5.469 50 0 IKAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cccc(Br)c1 ZINC000003319992 569445893 /nfs/dbraw/zinc/44/58/93/569445893.db2.gz UIQCWIDJJASZHK-UHFFFAOYSA-N 0 0 442.693 5.252 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000003323190 569446086 /nfs/dbraw/zinc/44/60/86/569446086.db2.gz AQJCXZIFHYJZHM-OAQYLSRUSA-N 0 0 431.517 5.607 50 0 IKAARN Cc1cc2oc(=O)cc(C[C@@H](C(=O)Nc3ccccc3)C(=O)c3ccccc3)c2cc1C ZINC000003324681 569446114 /nfs/dbraw/zinc/44/61/14/569446114.db2.gz LFMVCDSXAFJQKQ-HSZRJFAPSA-N 0 0 425.484 5.090 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000003324037 569446128 /nfs/dbraw/zinc/44/61/28/569446128.db2.gz PFDABFAOVGSQRI-UHFFFAOYSA-N 0 0 427.595 5.217 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000003326144 569446182 /nfs/dbraw/zinc/44/61/82/569446182.db2.gz QVBUPVVKKRFAMV-UHFFFAOYSA-N 0 0 432.343 5.128 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2-c2ccccc2C(C)C)cc1 ZINC000003326386 569446224 /nfs/dbraw/zinc/44/62/24/569446224.db2.gz ZZQNCOSOTWSBOS-UHFFFAOYSA-N 0 0 448.514 5.137 50 0 IKAARN CC(C)c1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000003327666 569446235 /nfs/dbraw/zinc/44/62/35/569446235.db2.gz MXPZAVNIWCMIOF-JOCHJYFZSA-N 0 0 430.529 5.924 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000058056090 569446247 /nfs/dbraw/zinc/44/62/47/569446247.db2.gz DUTHEOVEIBGLDM-UHFFFAOYSA-N 0 0 429.973 5.880 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl ZINC000003326779 569446257 /nfs/dbraw/zinc/44/62/57/569446257.db2.gz HHNXQMBDTBWZSK-GOSISDBHSA-N 0 0 427.759 5.738 50 0 IKAARN CCOc1ccc2nc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)sc2c1 ZINC000003328262 569446321 /nfs/dbraw/zinc/44/63/21/569446321.db2.gz UGEHBIXEJZFEJN-UHFFFAOYSA-N 0 0 426.563 5.730 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(NC[C@@H](c4c[nH]c5ccccc54)c4ccccc4)c32)C1 ZINC000003329922 569446351 /nfs/dbraw/zinc/44/63/51/569446351.db2.gz LHVTXOSEZWWMDZ-LAUBAEHRSA-N 0 0 438.600 6.541 50 0 IKAARN Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(Br)c1 ZINC000058061597 569446424 /nfs/dbraw/zinc/44/64/24/569446424.db2.gz DLIMHULZSZNIBJ-UHFFFAOYSA-N 0 0 448.748 5.964 50 0 IKAARN CC(C)c1ccc([C@H]2SC[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N23)cc1 ZINC000003330751 569446451 /nfs/dbraw/zinc/44/64/51/569446451.db2.gz FOAJEJSOLTWMDN-IEBWSBKVSA-N 0 0 447.423 5.320 50 0 IKAARN CCN(Cc1ccccc1)Cn1nc(-c2cccnc2)n(-c2ccc(C)cc2C)c1=S ZINC000003332061 569446469 /nfs/dbraw/zinc/44/64/69/569446469.db2.gz LHNIORZVWLEEII-UHFFFAOYSA-N 0 0 429.593 5.562 50 0 IKAARN O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000003333140 569446530 /nfs/dbraw/zinc/44/65/30/569446530.db2.gz UTFWQDLJDWCHCH-UHFFFAOYSA-N 0 0 446.981 5.262 50 0 IKAARN O=C(COc1ncnc2sccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003334675 569446580 /nfs/dbraw/zinc/44/65/80/569446580.db2.gz NPSHDWICFUKLAI-UHFFFAOYSA-N 0 0 427.938 5.513 50 0 IKAARN CCOc1ccc(-n2c(S[C@H](C)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 ZINC000003333787 569446614 /nfs/dbraw/zinc/44/66/14/569446614.db2.gz FINDWYHWUAHKPT-GOSISDBHSA-N 0 0 431.561 6.195 50 0 IKAARN O=C(NCc1ccco1)c1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000003339375 569446763 /nfs/dbraw/zinc/44/67/63/569446763.db2.gz OEHQIHGLSSSTKE-UHFFFAOYSA-N 0 0 433.505 5.333 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3ccccc3Cl)cc2)cc1 ZINC000003340186 569446795 /nfs/dbraw/zinc/44/67/95/569446795.db2.gz VEPNBTNSWOEGMT-UHFFFAOYSA-N 0 0 426.925 5.332 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000003340106 569446837 /nfs/dbraw/zinc/44/68/37/569446837.db2.gz UANCBNMKKNHNOQ-QGZVFWFLSA-N 0 0 426.545 5.443 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1c(Cl)cccc1Cl ZINC000003341286 569446886 /nfs/dbraw/zinc/44/68/86/569446886.db2.gz JPMMBBQGBOUXGU-UHFFFAOYSA-N 0 0 425.366 5.188 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1nnc(CSc2nc(C3CC3)nc3ccccc32)s1 ZINC000030714972 569446897 /nfs/dbraw/zinc/44/68/97/569446897.db2.gz KJHKACCQKRHGRD-UHFFFAOYSA-N 0 0 437.525 5.042 50 0 IKAARN Cc1ccc(-c2c3c4c(sc3nc3c2[C@@H](c2ccccc2)Oc2ccccc2-3)CCC4)cc1 ZINC000003341951 569446915 /nfs/dbraw/zinc/44/69/15/569446915.db2.gz QGXLFURWDKTBJG-GDLZYMKVSA-N 0 0 445.587 7.909 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003341667 569446928 /nfs/dbraw/zinc/44/69/28/569446928.db2.gz MRFAHUNOHICSKC-UHFFFAOYSA-N 0 0 433.508 5.197 50 0 IKAARN COc1ccc(CN2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)cc1 ZINC000058088658 569446964 /nfs/dbraw/zinc/44/69/64/569446964.db2.gz MFJWSCQCKSDRMH-UHFFFAOYSA-N 0 0 441.527 5.361 50 0 biogenic IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1cccc(Cl)c1)C3 ZINC000058088639 569446996 /nfs/dbraw/zinc/44/69/96/569446996.db2.gz XLONEKKEKOUECQ-UHFFFAOYSA-N 0 0 445.946 6.006 50 0 biogenic IKAARN Cc1nc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc2s1 ZINC000003344296 569447029 /nfs/dbraw/zinc/44/70/29/569447029.db2.gz UKKSIMDSHQTLMP-UHFFFAOYSA-N 0 0 435.480 5.014 50 0 IKAARN Cc1ccc(C)c(-n2c(SCC(=O)NCC(C)C)nnc2-c2cccc(Cl)c2)c1 ZINC000003344216 569447036 /nfs/dbraw/zinc/44/70/36/569447036.db2.gz XFBHWEYTNZPTJL-UHFFFAOYSA-N 0 0 428.989 5.069 50 0 IKAARN CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 ZINC000003345596 569447075 /nfs/dbraw/zinc/44/70/75/569447075.db2.gz CKEVYBPVPYVGAP-UHFFFAOYSA-N 0 0 426.611 5.191 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4cccs4)n3-c3ccccc3)cc(=O)oc2c1C ZINC000003347738 569447191 /nfs/dbraw/zinc/44/71/91/569447191.db2.gz DWRUMYPKGALHDD-UHFFFAOYSA-N 0 0 445.569 6.011 50 0 IKAARN Fc1ccccc1Nc1nnc(SCCOc2cccc(Br)c2)s1 ZINC000003348185 569447265 /nfs/dbraw/zinc/44/72/65/569447265.db2.gz KZVJMECCFOEEGI-UHFFFAOYSA-N 0 0 426.336 5.354 50 0 IKAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000003350006 569447301 /nfs/dbraw/zinc/44/73/01/569447301.db2.gz PAQOFWHWPLPMJX-UHFFFAOYSA-N 0 0 446.506 5.032 50 0 IKAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1ccc(F)c(F)c1F ZINC000003349720 569447337 /nfs/dbraw/zinc/44/73/37/569447337.db2.gz JHKHBWBEPJTACP-UHFFFAOYSA-N 0 0 434.222 5.421 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(-c3ccccc3)cc(C(=O)Nc3nccs3)c12 ZINC000003351845 569447408 /nfs/dbraw/zinc/44/74/08/569447408.db2.gz BVUHSQUSGOAXNR-UHFFFAOYSA-N 0 0 425.517 5.413 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000003351958 569447414 /nfs/dbraw/zinc/44/74/14/569447414.db2.gz XCAGVDSOCBNECK-UHFFFAOYSA-N 0 0 449.450 5.342 50 0 IKAARN Cc1ccc(-c2cc(-c3nnc(SCc4ccc(Cl)cc4)o3)c3ccccc3n2)cc1 ZINC000003351765 569447433 /nfs/dbraw/zinc/44/74/33/569447433.db2.gz YAEZUBLYPIWZMR-UHFFFAOYSA-N 0 0 443.959 7.206 50 0 IKAARN Fc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)c(F)c1 ZINC000003351855 569447438 /nfs/dbraw/zinc/44/74/38/569447438.db2.gz SAUZJPYGLICXOB-UHFFFAOYSA-N 0 0 443.906 6.037 50 0 IKAARN COc1ccc2nc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)sc2c1 ZINC000003352546 569447449 /nfs/dbraw/zinc/44/74/49/569447449.db2.gz GUHPOMTVRWATOD-UHFFFAOYSA-N 0 0 443.937 5.524 50 0 IKAARN COc1ccc(OCCSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1 ZINC000003352805 569447450 /nfs/dbraw/zinc/44/74/50/569447450.db2.gz JKTLBQXTNBLJAT-UHFFFAOYSA-N 0 0 427.545 5.769 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(SC(F)F)cc1 ZINC000003352699 569447482 /nfs/dbraw/zinc/44/74/82/569447482.db2.gz SGBYXAKNSHOFIC-UHFFFAOYSA-N 0 0 437.562 5.616 50 0 IKAARN Cc1sc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000003354204 569447503 /nfs/dbraw/zinc/44/75/03/569447503.db2.gz YSDZAAHMXDARAV-UHFFFAOYSA-N 0 0 427.957 5.229 50 0 IKAARN COc1ccccc1C(=O)CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000003355500 569447598 /nfs/dbraw/zinc/44/75/98/569447598.db2.gz ZOGQABYQGOTSEY-UHFFFAOYSA-N 0 0 438.599 5.967 50 0 IKAARN CC(C)Cn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccccc1F ZINC000003355331 569447606 /nfs/dbraw/zinc/44/76/06/569447606.db2.gz XYPIHGBDNAAZPO-NRFANRHFSA-N 0 0 438.572 5.026 50 0 IKAARN Cc1cc2nnc(Sc3ncnc4sc(-c5ccccc5)cc43)n2c2ccccc12 ZINC000003356287 569447644 /nfs/dbraw/zinc/44/76/44/569447644.db2.gz CDQRILLILOZSKC-UHFFFAOYSA-N 0 0 425.542 6.014 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000003358336 569447701 /nfs/dbraw/zinc/44/77/01/569447701.db2.gz BMPUKKJQDVOWNM-GOSISDBHSA-N 0 0 446.503 5.002 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nc2nc(C)cc(C)n2n1 ZINC000003357964 569447710 /nfs/dbraw/zinc/44/77/10/569447710.db2.gz QAZFNHWGDLVRBW-UHFFFAOYSA-N 0 0 431.993 5.030 50 0 IKAARN CC(C)Cn1c(SCc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000003358372 569447748 /nfs/dbraw/zinc/44/77/48/569447748.db2.gz HBSPUUVEBVLMRW-UHFFFAOYSA-N 0 0 434.436 7.324 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CCCOc3cccc(Br)c3)n2)cc1 ZINC000003360213 569447811 /nfs/dbraw/zinc/44/78/11/569447811.db2.gz NONFYLQLDNPFRE-UHFFFAOYSA-N 0 0 447.354 5.379 50 0 IKAARN CCOc1ccccc1C(=O)OCc1ccc(COC(=O)c2ccccc2OCC)cc1 ZINC000003359949 569447827 /nfs/dbraw/zinc/44/78/27/569447827.db2.gz AAARADKRERASGV-UHFFFAOYSA-N 0 0 434.488 5.198 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)c1ccc(OC(F)F)cc1 ZINC000003360488 569447893 /nfs/dbraw/zinc/44/78/93/569447893.db2.gz AEZIBLTZKPZAJL-UHFFFAOYSA-N 0 0 428.485 5.935 50 0 IKAARN O=C(COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1)Nc1ccc(F)c(F)c1 ZINC000003361639 569447919 /nfs/dbraw/zinc/44/79/19/569447919.db2.gz VTIMRUAIYAUQFD-UHFFFAOYSA-N 0 0 441.817 5.409 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000003360945 569447940 /nfs/dbraw/zinc/44/79/40/569447940.db2.gz CZEARIUONLXZAY-UHFFFAOYSA-N 0 0 443.330 6.149 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(C)c1ccccc1 ZINC000003362725 569447984 /nfs/dbraw/zinc/44/79/84/569447984.db2.gz QRAVDCARAHZQPP-GOSISDBHSA-N 0 0 426.545 5.349 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)C2(c3cccc(F)c3)CCCC2)c2ccc(C)cc2)cc1 ZINC000003362870 569447999 /nfs/dbraw/zinc/44/79/99/569447999.db2.gz GQFCITGASPUEOJ-SANMLTNESA-N 0 0 430.519 6.422 50 0 IKAARN CCc1ccc(OCc2nnc(SCc3ccc(C(C)(C)C)cc3)n2CC(C)C)cc1 ZINC000003363406 569448023 /nfs/dbraw/zinc/44/80/23/569448023.db2.gz TUZOKPYGIYBNSB-UHFFFAOYSA-N 0 0 437.653 6.665 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@@H]3C)cc(=O)oc2c1 ZINC000003365647 569448166 /nfs/dbraw/zinc/44/81/66/569448166.db2.gz YHGDNZZBCVIOSX-UWJYYQICSA-N 0 0 446.576 5.798 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000003367178 569448188 /nfs/dbraw/zinc/44/81/88/569448188.db2.gz MTRXJBKDHPVRCX-UHFFFAOYSA-N 0 0 429.731 5.026 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)Nc2ccccc2OC)cc1 ZINC000003367920 569448191 /nfs/dbraw/zinc/44/81/91/569448191.db2.gz NWNYHEJOWUKPGH-UHFFFAOYSA-N 0 0 429.476 5.305 50 0 IKAARN CCOc1cc([C@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000030780695 569448240 /nfs/dbraw/zinc/44/82/40/569448240.db2.gz GKOURZJJUYXPRX-KPOBHBOGSA-N 0 0 436.321 5.630 50 0 IKAARN CCOc1cc([C@H]2Nc3ccc(CC)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000030780915 569448306 /nfs/dbraw/zinc/44/83/06/569448306.db2.gz XRDANDYPWAYYLW-RVHYNSKXSA-N 0 0 432.358 5.663 50 0 IKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000058135471 569448372 /nfs/dbraw/zinc/44/83/72/569448372.db2.gz GHFVPNHSFMTSCF-VXKWHMMOSA-N 0 0 436.577 5.529 50 0 IKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000058135480 569448394 /nfs/dbraw/zinc/44/83/94/569448394.db2.gz GHFVPNHSFMTSCF-YADHBBJMSA-N 0 0 436.577 5.529 50 0 IKAARN O=C(c1ccc(F)cc1F)N(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1 ZINC000003373878 569448613 /nfs/dbraw/zinc/44/86/13/569448613.db2.gz VPCQIXRIELXLRA-UHFFFAOYSA-N 0 0 448.466 6.868 50 0 IKAARN CSc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)c(SC)c3)n2)cc1 ZINC000058142074 569448716 /nfs/dbraw/zinc/44/87/16/569448716.db2.gz QZPJTGMMCJOHED-UHFFFAOYSA-N 0 0 429.592 5.465 50 0 IKAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1-c1ccccc1 ZINC000003378900 569448753 /nfs/dbraw/zinc/44/87/53/569448753.db2.gz VPQCDIUOPWZCIZ-UHFFFAOYSA-N 0 0 441.914 6.256 50 0 IKAARN Cc1ccc2c(COC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc(=O)oc2c1C ZINC000003380526 569448798 /nfs/dbraw/zinc/44/87/98/569448798.db2.gz ROSCKHYZDOVURX-UHFFFAOYSA-N 0 0 442.389 6.046 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CCSc4ccc(Cl)cc4)cc3)sc2c1 ZINC000003382701 569448883 /nfs/dbraw/zinc/44/88/83/569448883.db2.gz MOVOSOGWQPLEFN-UHFFFAOYSA-N 0 0 439.005 7.046 50 0 IKAARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2c1C ZINC000003386133 569448989 /nfs/dbraw/zinc/44/89/89/569448989.db2.gz BWQACVJTFDCMOM-UHFFFAOYSA-N 0 0 445.919 6.020 50 0 IKAARN COc1cc(C)c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1OC ZINC000003387866 569448999 /nfs/dbraw/zinc/44/89/99/569448999.db2.gz BJYFQKYNEKOIMH-UHFFFAOYSA-N 0 0 432.549 5.256 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccccc2Br)c2ccccc2)c1 ZINC000003386469 569449034 /nfs/dbraw/zinc/44/90/34/569449034.db2.gz DKCSBGZRHKRHLP-OAQYLSRUSA-N 0 0 438.321 5.603 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccccc2Br)c2ccccc2)c1 ZINC000003386472 569449042 /nfs/dbraw/zinc/44/90/42/569449042.db2.gz DKCSBGZRHKRHLP-NRFANRHFSA-N 0 0 438.321 5.603 50 0 IKAARN Cc1cn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)nc1Nc1ccccc1 ZINC000058161104 569449219 /nfs/dbraw/zinc/44/92/19/569449219.db2.gz MFMHWPZRVBAAFV-UHFFFAOYSA-N 0 0 436.540 6.075 50 0 IKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nc4sc5c(c4c(N)n3)CC[C@@H](C)C5)o2)c1 ZINC000058162734 569449347 /nfs/dbraw/zinc/44/93/47/569449347.db2.gz DBTYQBHLOLWNTL-CHWSQXEVSA-N 0 0 437.594 5.610 50 0 IKAARN Cc1cccc(-c2nnc([C@H](C)Sc3nc4sc5c(c4c(N)n3)CC[C@@H](C)C5)o2)c1 ZINC000058162735 569449358 /nfs/dbraw/zinc/44/93/58/569449358.db2.gz DBTYQBHLOLWNTL-OLZOCXBDSA-N 0 0 437.594 5.610 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1F ZINC000003396027 569449399 /nfs/dbraw/zinc/44/93/99/569449399.db2.gz BLBAIZQYYGPQNK-UHFFFAOYSA-N 0 0 435.480 5.103 50 0 IKAARN CC(=O)c1ccc(OCCCC(=O)N(c2nc3ccccc3s2)c2ccc(F)cc2)cc1 ZINC000003396161 569449416 /nfs/dbraw/zinc/44/94/16/569449416.db2.gz ZKUXASZOCUWPBL-UHFFFAOYSA-N 0 0 448.519 6.162 50 0 IKAARN CCOc1ccc(-c2nc(CSCc3ccc(Cl)cc3Cl)cs2)cc1OC ZINC000058166967 569449446 /nfs/dbraw/zinc/44/94/46/569449446.db2.gz WNFFLWUIIBNRPQ-UHFFFAOYSA-N 0 0 440.417 6.958 50 0 IKAARN C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)c(F)c1 ZINC000058166810 569449457 /nfs/dbraw/zinc/44/94/57/569449457.db2.gz ZMGGLEJLNQRBMA-CYBMUJFWSA-N 0 0 425.460 5.284 50 0 IKAARN Brc1cc2c(cc1Nc1ncnc3sc(-c4ccccc4)cc31)OCCO2 ZINC000003399078 569449574 /nfs/dbraw/zinc/44/95/74/569449574.db2.gz JJOMKOVBDMGPRC-UHFFFAOYSA-N 0 0 440.322 5.636 50 0 IKAARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000058174505 569449797 /nfs/dbraw/zinc/44/97/97/569449797.db2.gz MBUXPHSOSBXXTK-UHFFFAOYSA-N 0 0 448.429 5.201 50 0 IKAARN CC(C)C[C@@H](C)N(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc2[nH]ccc2c1 ZINC000058178564 569449820 /nfs/dbraw/zinc/44/98/20/569449820.db2.gz YNRFCCXYLFWGON-MRXNPFEDSA-N 0 0 425.964 5.293 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000003405277 569449860 /nfs/dbraw/zinc/44/98/60/569449860.db2.gz BHBIRBUCFNDTAA-UHFFFAOYSA-N 0 0 429.520 5.655 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c(C)n1C1CC1 ZINC000003407339 569449957 /nfs/dbraw/zinc/44/99/57/569449957.db2.gz OBGGSSCBNHUCJX-UHFFFAOYSA-N 0 0 432.549 5.564 50 0 IKAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1 ZINC000003406827 569449959 /nfs/dbraw/zinc/44/99/59/569449959.db2.gz ALQPXSZYCXOQDX-UHFFFAOYSA-N 0 0 446.528 5.292 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)N(C(C)C)C(C)C)cc1 ZINC000003410779 569450104 /nfs/dbraw/zinc/45/01/04/569450104.db2.gz CFMYQQHXUYSVPA-UHFFFAOYSA-N 0 0 444.000 5.085 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(C)C ZINC000003411195 569450116 /nfs/dbraw/zinc/45/01/16/569450116.db2.gz JMDCKEPKZJWNQP-UHFFFAOYSA-N 0 0 443.016 5.384 50 0 IKAARN CC(=O)Oc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000003414147 569450147 /nfs/dbraw/zinc/45/01/47/569450147.db2.gz KXYJOYOAVTVSKD-AWEZNQCLSA-N 0 0 428.315 6.077 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 ZINC000003412603 569450155 /nfs/dbraw/zinc/45/01/55/569450155.db2.gz LZKZODGLOMQBGY-KRWDZBQOSA-N 0 0 432.420 6.518 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 ZINC000003412599 569450157 /nfs/dbraw/zinc/45/01/57/569450157.db2.gz LZKZODGLOMQBGY-QGZVFWFLSA-N 0 0 432.420 6.518 50 0 IKAARN CC(C)Cc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000003413085 569450172 /nfs/dbraw/zinc/45/01/72/569450172.db2.gz CKEGNAVGLWLNPB-LVXARBLLSA-N 0 0 428.576 5.104 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000003413082 569450174 /nfs/dbraw/zinc/45/01/74/569450174.db2.gz CKEGNAVGLWLNPB-RLWLMLJZSA-N 0 0 428.576 5.104 50 0 IKAARN C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003415385 569450190 /nfs/dbraw/zinc/45/01/90/569450190.db2.gz QNLFARYQHKYEEQ-GFCCVEGCSA-N 0 0 438.833 5.343 50 0 IKAARN O=C(CSc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21)N1CCc2ccccc21 ZINC000003415305 569450225 /nfs/dbraw/zinc/45/02/25/569450225.db2.gz PECLQWBUPZSWIG-HSZRJFAPSA-N 0 0 442.584 5.175 50 0 IKAARN O=C(CN(Cc1ccco1)C(=O)c1cc2ccccc2o1)Nc1ccccc1C(F)(F)F ZINC000003417587 569450251 /nfs/dbraw/zinc/45/02/51/569450251.db2.gz HAUCNWMJLGTOLH-UHFFFAOYSA-N 0 0 442.393 5.326 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000003416588 569450255 /nfs/dbraw/zinc/45/02/55/569450255.db2.gz RDXIYIHTUJALJV-UHFFFAOYSA-N 0 0 442.610 5.187 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc12 ZINC000003419248 569450315 /nfs/dbraw/zinc/45/03/15/569450315.db2.gz QPXLHKCBTHVASQ-UHFFFAOYSA-N 0 0 445.551 6.581 50 0 IKAARN Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000003421645 569450407 /nfs/dbraw/zinc/45/04/07/569450407.db2.gz ZCHIDLUWXRIZFO-UHFFFAOYSA-N 0 0 429.501 5.090 50 0 IKAARN COc1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1F ZINC000003421729 569450434 /nfs/dbraw/zinc/45/04/34/569450434.db2.gz BLXAQMRXSSGFPE-UHFFFAOYSA-N 0 0 439.487 5.425 50 0 IKAARN CC(=O)c1ccc(N(C(=O)CCCSc2ccccc2)c2nc3ccccc3s2)cc1 ZINC000003421023 569450450 /nfs/dbraw/zinc/45/04/50/569450450.db2.gz WOBGUVBCIFWSSC-UHFFFAOYSA-N 0 0 446.597 6.736 50 0 IKAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000003422016 569450479 /nfs/dbraw/zinc/45/04/79/569450479.db2.gz XCFHAUSFQQNSSF-MHZLTWQESA-N 0 0 432.523 5.758 50 0 IKAARN CSc1nn(-c2ccc(C(=O)OCc3c(F)cccc3Cl)cc2)c(=S)s1 ZINC000003427230 569450603 /nfs/dbraw/zinc/45/06/03/569450603.db2.gz DGPUXGPRISNVLV-UHFFFAOYSA-N 0 0 426.947 5.535 50 0 IKAARN COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000003431054 569450825 /nfs/dbraw/zinc/45/08/25/569450825.db2.gz DXADSEQPXMZHCE-UHFFFAOYSA-N 0 0 429.472 5.103 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nnc2-c2ccccc2)cc1C ZINC000003430388 569450848 /nfs/dbraw/zinc/45/08/48/569450848.db2.gz IBYYHCJRDWQJHP-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)n1CC(F)(F)F ZINC000003433745 569450945 /nfs/dbraw/zinc/45/09/45/569450945.db2.gz IIGZUNFTCNGYFM-UHFFFAOYSA-N 0 0 434.487 5.100 50 0 IKAARN C[C@H]1CCCC[C@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 ZINC000003435326 569450973 /nfs/dbraw/zinc/45/09/73/569450973.db2.gz QBJAKUUQBCOYJC-LAUBAEHRSA-N 0 0 447.633 6.507 50 0 IKAARN C[C@@H]1CCCC[C@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 ZINC000003435332 569450981 /nfs/dbraw/zinc/45/09/81/569450981.db2.gz QBJAKUUQBCOYJC-DYESRHJHSA-N 0 0 447.633 6.507 50 0 IKAARN CC(C)Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)s1 ZINC000003435556 569450988 /nfs/dbraw/zinc/45/09/88/569450988.db2.gz FRONEQAYKODZPQ-UHFFFAOYSA-N 0 0 428.970 5.919 50 0 IKAARN CSc1nc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc(=O)[nH]1 ZINC000003440041 569451142 /nfs/dbraw/zinc/45/11/42/569451142.db2.gz XWTKCTYZHTWQIM-UHFFFAOYSA-N 0 0 435.578 5.061 50 0 IKAARN Cc1ccc(OCCSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000003439833 569451182 /nfs/dbraw/zinc/45/11/82/569451182.db2.gz OOVPAQUUXYNCJD-UHFFFAOYSA-N 0 0 445.544 5.202 50 0 IKAARN Cc1cccc(-n2nnnc2SCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)c1 ZINC000003442558 569451309 /nfs/dbraw/zinc/45/13/09/569451309.db2.gz BXHOGMWTCASSDX-UHFFFAOYSA-N 0 0 425.517 5.094 50 0 IKAARN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)OCC(=O)c1ccc(F)c(F)c1 ZINC000003443963 569451319 /nfs/dbraw/zinc/45/13/19/569451319.db2.gz BWQXWQDXXKFVBW-HSZRJFAPSA-N 0 0 446.902 5.867 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000003446848 569451438 /nfs/dbraw/zinc/45/14/38/569451438.db2.gz AIBBLDAVWHKKHQ-HRAATJIYSA-N 0 0 445.592 5.856 50 0 IKAARN Cc1cccc(-n2nnnc2S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 ZINC000003450176 569451594 /nfs/dbraw/zinc/45/15/94/569451594.db2.gz WSFYCFDZBOLSMZ-QFIPXVFZSA-N 0 0 429.549 5.060 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](C)c2cccc(O)c2)cc1NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000058245996 569451626 /nfs/dbraw/zinc/45/16/26/569451626.db2.gz MTLFBEVNYQYLJF-IAGOWNOFSA-N 0 0 448.523 5.172 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)Nc3ccccc3Oc3ccccc3)c2oc1-c1ccccc1 ZINC000003455949 569451782 /nfs/dbraw/zinc/45/17/82/569451782.db2.gz IAZZQOWPZVTNOF-UHFFFAOYSA-N 0 0 447.490 6.813 50 0 IKAARN CN(CC(=O)Nc1ccccc1Cl)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000030998727 569452228 /nfs/dbraw/zinc/45/22/28/569452228.db2.gz VWRUOLRRXBSIDA-XMMPIXPASA-N 0 0 431.923 5.316 50 0 IKAARN Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000003477765 569452239 /nfs/dbraw/zinc/45/22/39/569452239.db2.gz BOFGHVOFHNWQFH-OPAMFIHVSA-N 0 0 430.581 5.635 50 0 IKAARN Cc1cc2oc(=O)cc(CSc3nnnn3-c3ccc(Cl)cc3)c2cc1C(C)C ZINC000003493095 569452620 /nfs/dbraw/zinc/45/26/20/569452620.db2.gz RFDMCLGUMQXJJH-UHFFFAOYSA-N 0 0 426.929 5.146 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2ccc3c(c2)CCO3)cs1)c1c(C)cc(C)cc1C ZINC000031059660 569453020 /nfs/dbraw/zinc/45/30/20/569453020.db2.gz QVVNWJGQLAEZHM-UHFFFAOYSA-N 0 0 436.533 5.045 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 ZINC000003515801 569453067 /nfs/dbraw/zinc/45/30/67/569453067.db2.gz ISLZDYVFEWHWMU-UHFFFAOYSA-N 0 0 440.499 5.323 50 0 IKAARN Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000003529786 569453317 /nfs/dbraw/zinc/45/33/17/569453317.db2.gz AFCYRXVWDQQUOL-UHFFFAOYSA-N 0 0 435.955 5.036 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1C(=O)Nc1cccc(F)c1 ZINC000031087399 569453345 /nfs/dbraw/zinc/45/33/45/569453345.db2.gz LJRUQIAUXZACGG-UHFFFAOYSA-N 0 0 437.521 5.444 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCc3ccc(-c4ccccc4)cc3)c2c1 ZINC000003533728 569453422 /nfs/dbraw/zinc/45/34/22/569453422.db2.gz MBJNWJJWMIKBFY-UHFFFAOYSA-N 0 0 429.519 7.234 50 0 IKAARN CC[C@@H](c1nnc(SCC(=O)c2ccc(Cl)s2)n1Cc1ccccc1)N(C)C ZINC000003551388 569453824 /nfs/dbraw/zinc/45/38/24/569453824.db2.gz DGCOOCMDJLGKEY-HNNXBMFYSA-N 0 0 435.018 5.029 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3c(C)cccc3C)c2n1 ZINC000003550595 569453880 /nfs/dbraw/zinc/45/38/80/569453880.db2.gz PYVSSDTYQDBQHH-UHFFFAOYSA-N 0 0 447.318 5.028 50 0 IKAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000058391360 569454075 /nfs/dbraw/zinc/45/40/75/569454075.db2.gz HWHJZHOTXXKDPT-UHFFFAOYSA-N 0 0 428.366 5.081 50 0 IKAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000058411473 569454319 /nfs/dbraw/zinc/45/43/19/569454319.db2.gz HCIYLLRQFAESGO-SFQUDFHCSA-N 0 0 425.872 5.926 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003582750 569454379 /nfs/dbraw/zinc/45/43/79/569454379.db2.gz LKMFYMLKXRAOLY-NRFANRHFSA-N 0 0 445.510 5.708 50 0 IKAARN CCc1cccc(C)c1NC(=S)N1CCn2cccc2[C@@H]1c1cc(OC)ccc1OC ZINC000003582667 569454413 /nfs/dbraw/zinc/45/44/13/569454413.db2.gz COZATZVMMIHMKG-DEOSSOPVSA-N 0 0 435.593 5.178 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000003589207 569454484 /nfs/dbraw/zinc/45/44/84/569454484.db2.gz IYFGCGIMYFEQKO-SRZZPIQSSA-N 0 0 438.911 5.494 50 0 IKAARN O=C(NC1CCCCCC1)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003586198 569454488 /nfs/dbraw/zinc/45/44/88/569454488.db2.gz BRYTUHWFXWYMSK-UHFFFAOYSA-N 0 0 427.470 6.450 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000003589727 569454505 /nfs/dbraw/zinc/45/45/05/569454505.db2.gz ITPHPJAXIVAJDH-CIAFOILYSA-N 0 0 438.911 5.494 50 0 IKAARN Cc1ccc([C@](O)(CCNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)C(F)(F)F)o1 ZINC000058440044 569454789 /nfs/dbraw/zinc/45/47/89/569454789.db2.gz XSZICCRPAXQMHX-UZUQRXQVSA-N 0 0 448.485 5.186 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000003614296 569455053 /nfs/dbraw/zinc/45/50/53/569455053.db2.gz IEUDGTFSRWPSAG-GDLZYMKVSA-N 0 0 434.583 7.197 50 0 IKAARN O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1 ZINC000003625736 569455182 /nfs/dbraw/zinc/45/51/82/569455182.db2.gz XQVYLGPQGGTKTC-SANMLTNESA-N 0 0 432.995 6.537 50 0 IKAARN Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1C ZINC000003629701 569455217 /nfs/dbraw/zinc/45/52/17/569455217.db2.gz WHWHTFYVCQUOID-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)(C)CC(C)(C)C)cc3n2)cc1 ZINC000003629616 569455265 /nfs/dbraw/zinc/45/52/65/569455265.db2.gz BSCTYCOLTQNPMK-UHFFFAOYSA-N 0 0 448.489 5.368 50 0 IKAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000031264671 569455267 /nfs/dbraw/zinc/45/52/67/569455267.db2.gz NSRZCEVIIUIMPO-NRFANRHFSA-N 0 0 425.488 5.107 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000031267308 569455305 /nfs/dbraw/zinc/45/53/05/569455305.db2.gz AKBRJNHADYSRLI-INIZCTEOSA-N 0 0 430.863 5.253 50 0 IKAARN O=c1c2sc(=S)n(-c3cccc(C(F)(F)F)c3)c2[nH]c(=S)n1-c1ccccc1 ZINC000003632893 569455465 /nfs/dbraw/zinc/45/54/65/569455465.db2.gz QFBLTASAMHWTPZ-UHFFFAOYSA-N 0 0 437.493 5.649 50 0 IKAARN O=c1oc2c(cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c3ccccc23)s1 ZINC000003653689 569455717 /nfs/dbraw/zinc/45/57/17/569455717.db2.gz WXJIRKPIFFEDCF-UHFFFAOYSA-N 0 0 439.558 5.856 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000003655130 569455763 /nfs/dbraw/zinc/45/57/63/569455763.db2.gz LFIXVQXBESGUCB-UHFFFAOYSA-N 0 0 439.367 6.623 50 0 IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000003657615 569455807 /nfs/dbraw/zinc/45/58/07/569455807.db2.gz IMPHJMWQTCDAFO-RTWAWAEBSA-N 0 0 426.850 5.167 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000003659180 569455854 /nfs/dbraw/zinc/45/58/54/569455854.db2.gz GBPGWIJXESEUOO-QHCPKHFHSA-N 0 0 425.575 5.010 50 0 IKAARN O=C(NCCc1ccccc1Cl)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003658395 569455862 /nfs/dbraw/zinc/45/58/62/569455862.db2.gz XTEWBTGRQBBPPX-UHFFFAOYSA-N 0 0 436.939 6.151 50 0 IKAARN COc1cccc(CNC(=O)c2cc(Sc3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000003658361 569455874 /nfs/dbraw/zinc/45/58/74/569455874.db2.gz LZCSOTHQGGBRMP-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000031337019 569456072 /nfs/dbraw/zinc/45/60/72/569456072.db2.gz UAJVFUDZDNRVOJ-GFCCVEGCSA-N 0 0 439.289 6.079 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000003742127 569456329 /nfs/dbraw/zinc/45/63/29/569456329.db2.gz INSMCAPEZBZFAF-HHHXNRCGSA-N 0 0 436.511 5.802 50 0 IKAARN Cc1sc2nc(CN3CCCC3)nc(SCc3csc(-c4ccco4)n3)c2c1C ZINC000031420674 569456376 /nfs/dbraw/zinc/45/63/76/569456376.db2.gz JMBXTDNDTGBWHS-UHFFFAOYSA-N 0 0 442.635 5.913 50 0 IKAARN COc1cc(OC)c(NC(=O)c2nn(-c3ccc(C)c(F)c3)c3c2CCCC3)cc1Cl ZINC000031482502 569456574 /nfs/dbraw/zinc/45/65/74/569456574.db2.gz VKWBBURGXLEBQB-UHFFFAOYSA-N 0 0 443.906 5.122 50 0 IKAARN CNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000031530672 569456690 /nfs/dbraw/zinc/45/66/90/569456690.db2.gz CDONWDOHNDLINS-UHFFFAOYSA-N 0 0 443.934 5.187 50 0 IKAARN COc1cc(NC(=O)c2nn(-c3ccc(C)c(F)c3)c3c2CCCC3)c(OC)cc1Cl ZINC000031552885 569456710 /nfs/dbraw/zinc/45/67/10/569456710.db2.gz WHDQVVAZAKOOFX-UHFFFAOYSA-N 0 0 443.906 5.122 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000031732571 569457146 /nfs/dbraw/zinc/45/71/46/569457146.db2.gz POVYVGRFVAQKHG-UHFFFAOYSA-N 0 0 429.467 5.233 50 0 IKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccncc1 ZINC000003999350 569457553 /nfs/dbraw/zinc/45/75/53/569457553.db2.gz XVILTHUAMWZVDG-ZODVMDDVSA-N 0 0 428.617 5.131 50 0 biogenic IKAARN Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000031814922 569457952 /nfs/dbraw/zinc/45/79/52/569457952.db2.gz VAIRCAQQLSAAOI-UHFFFAOYSA-N 0 0 443.488 5.384 50 0 IKAARN Cc1nc(NC(=O)c2ccc(Br)cc2)sc1-c1nc(-c2ccccc2)no1 ZINC000031813659 569457958 /nfs/dbraw/zinc/45/79/58/569457958.db2.gz JHMITSSROAJLQK-UHFFFAOYSA-N 0 0 441.310 5.183 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000031816158 569458009 /nfs/dbraw/zinc/45/80/09/569458009.db2.gz YPUKXAKWKIWYMT-XCLFUZPHSA-N 0 0 425.941 5.436 50 0 IKAARN CCCOc1cccc(C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)c1 ZINC000031817249 569458013 /nfs/dbraw/zinc/45/80/13/569458013.db2.gz SBYMWLVOVFRMSD-UHFFFAOYSA-N 0 0 426.523 5.271 50 0 IKAARN C/C(=N/NC(=O)c1ccncc1)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004015054 569458096 /nfs/dbraw/zinc/45/80/96/569458096.db2.gz HIMZXVKKQBAUQS-GNBRBBSUSA-N 0 0 435.612 5.127 50 0 IKAARN CCCCCNC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000004024644 569458239 /nfs/dbraw/zinc/45/82/39/569458239.db2.gz BTQCHPRUVKAYMZ-BFIVMZSUSA-N 0 0 429.557 5.238 50 0 biogenic IKAARN CC(C)=CCCC1=CC[C@H](C2OCC3(CC=C(CCC=C(C)C)C[C@@H]3C)CO2)[C@H](C)C1 ZINC000004025313 569458261 /nfs/dbraw/zinc/45/82/61/569458261.db2.gz MFGNVTISQZYJEE-MHDKWGHQSA-N 0 0 426.685 8.167 50 0 biogenic IKAARN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(C)(C)C ZINC000031903993 569458361 /nfs/dbraw/zinc/45/83/61/569458361.db2.gz MFQUHRXCAIUKDU-UHFFFAOYSA-N 0 0 444.641 5.064 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccc(OC)cc1 ZINC000004043179 569458363 /nfs/dbraw/zinc/45/83/63/569458363.db2.gz JSHXXHUKOLMTHC-IAPPQJPRSA-N 0 0 437.624 5.905 50 0 biogenic IKAARN COc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl ZINC000031904062 569458371 /nfs/dbraw/zinc/45/83/71/569458371.db2.gz NSZIEUCBUHXKQN-UHFFFAOYSA-N 0 0 436.360 5.393 50 0 IKAARN COc1ccc(NC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc1 ZINC000004043709 569458397 /nfs/dbraw/zinc/45/83/97/569458397.db2.gz SZCUAQITTPFEBX-RZDMPUFOSA-N 0 0 434.624 6.651 50 0 biogenic IKAARN C(/C=C1/C=C(c2ccccc2)Oc2ccccc21)=C1/C=C(c2ccccc2)Oc2ccccc21 ZINC000031957956 569458503 /nfs/dbraw/zinc/45/85/03/569458503.db2.gz CCRCMVBZDCBWMS-GAHATOAQSA-N 0 0 438.526 8.021 50 0 IKAARN COc1cc(C(=O)Oc2cccc3ccc(C)nc32)ccc1OCc1ccc(Cl)cc1 ZINC000004064173 569458524 /nfs/dbraw/zinc/45/85/24/569458524.db2.gz VNTLSFQYMLGUMA-UHFFFAOYSA-N 0 0 433.891 6.003 50 0 IKAARN O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)cc1Br ZINC000031967380 569458541 /nfs/dbraw/zinc/45/85/41/569458541.db2.gz RBODOEWPMYRXDY-UHFFFAOYSA-N 0 0 428.183 5.045 50 0 IKAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000004090958 569458905 /nfs/dbraw/zinc/45/89/05/569458905.db2.gz LXLVSCJVHMGDES-SDNWHVSQSA-N 0 0 445.569 5.498 50 0 IKAARN COC(=O)c1sc2[nH]c(C(Cl)=Cc3cc(-c4cccs4)cs3)nc(=O)c2c1C ZINC000032070883 569459175 /nfs/dbraw/zinc/45/91/75/569459175.db2.gz OHDMMCIPQFVRHB-GHXNOFRVSA-N 0 0 448.978 6.019 50 0 IKAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 ZINC000032071997 569459225 /nfs/dbraw/zinc/45/92/25/569459225.db2.gz XSRUKBQQYMFTGN-KRWDZBQOSA-N 0 0 445.306 5.345 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)onc3-c2cc(F)c(F)c(F)c2)cc1OC ZINC000032073647 569459292 /nfs/dbraw/zinc/45/92/92/569459292.db2.gz TUHCODYLAXDIMW-UHFFFAOYSA-N 0 0 429.350 5.149 50 0 IKAARN Cc1nc(NC(=O)c2ccc(Br)o2)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000032073220 569459303 /nfs/dbraw/zinc/45/93/03/569459303.db2.gz SZEGXHKSAMLVGQ-UHFFFAOYSA-N 0 0 445.298 5.085 50 0 IKAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000032074714 569459351 /nfs/dbraw/zinc/45/93/51/569459351.db2.gz KZKZFBYHQOWNDM-UHFFFAOYSA-N 0 0 435.892 6.019 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000032074294 569459352 /nfs/dbraw/zinc/45/93/52/569459352.db2.gz OCUVBIHPHBJQQR-INIZCTEOSA-N 0 0 448.832 5.702 50 0 IKAARN O=C(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032091270 569459615 /nfs/dbraw/zinc/45/96/15/569459615.db2.gz PPDLHFQJKLGEGO-UHFFFAOYSA-N 0 0 444.962 5.467 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc(C)c(C)c2)c(OC)c1OC ZINC000004118533 569459629 /nfs/dbraw/zinc/45/96/29/569459629.db2.gz YZFTUOVKZJKZIL-HSZRJFAPSA-N 0 0 434.511 5.824 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1Cl ZINC000032092189 569459669 /nfs/dbraw/zinc/45/96/69/569459669.db2.gz MMYLWYHSGACQNT-HNNXBMFYSA-N 0 0 433.270 5.476 50 0 IKAARN COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)c1cccc(Cl)c1 ZINC000032094718 569459767 /nfs/dbraw/zinc/45/97/67/569459767.db2.gz FYCZPRAUTIHFPO-UHFFFAOYSA-N 0 0 439.968 5.934 50 0 IKAARN COc1ccc(Cl)c(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000032093874 569459787 /nfs/dbraw/zinc/45/97/87/569459787.db2.gz DLSSNFIZHVOHIM-QGZVFWFLSA-N 0 0 445.306 5.345 50 0 IKAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000032094890 569459802 /nfs/dbraw/zinc/45/98/02/569459802.db2.gz OBTPRHAFZIOIIP-UHFFFAOYSA-N 0 0 435.483 5.669 50 0 IKAARN O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000032095239 569459830 /nfs/dbraw/zinc/45/98/30/569459830.db2.gz TZJCAPTUMKRFOL-OAQYLSRUSA-N 0 0 431.561 5.224 50 0 IKAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000032095589 569459858 /nfs/dbraw/zinc/45/98/58/569459858.db2.gz UFVPXJGRDSWSIY-QGZVFWFLSA-N 0 0 444.413 5.057 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 ZINC000004122959 569459996 /nfs/dbraw/zinc/45/99/96/569459996.db2.gz KZAZWYVSCMMHTN-UHFFFAOYSA-N 0 0 431.517 5.252 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC ZINC000004122730 569460000 /nfs/dbraw/zinc/46/00/00/569460000.db2.gz QRJOULRUZVWENM-UHFFFAOYSA-N 0 0 439.581 6.020 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)c(Cl)c1 ZINC000004122983 569460015 /nfs/dbraw/zinc/46/00/15/569460015.db2.gz BAUZOLJARDWYPJ-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c1 ZINC000004122982 569460040 /nfs/dbraw/zinc/46/00/40/569460040.db2.gz LXOHJBXZZMMZIW-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1cccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2cccs2)c1 ZINC000004145610 569460424 /nfs/dbraw/zinc/46/04/24/569460424.db2.gz GDCFJAIEOPBJLH-UHFFFAOYSA-N 0 0 431.508 6.615 50 0 IKAARN Fc1cc(F)cc(CSc2nnc(-c3ccncc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000004145719 569460398 /nfs/dbraw/zinc/46/03/98/569460398.db2.gz MSBJBVXGQKFJSY-UHFFFAOYSA-N 0 0 448.420 5.919 50 0 IKAARN Cc1cccc(-n2c(SCc3ccc(C(F)(F)F)cc3)nnc2-c2cccs2)c1 ZINC000004146047 569460500 /nfs/dbraw/zinc/46/05/00/569460500.db2.gz SFARSMJXCFMIQY-UHFFFAOYSA-N 0 0 431.508 6.615 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1Cl)c1ccccc1 ZINC000004146062 569460505 /nfs/dbraw/zinc/46/05/05/569460505.db2.gz SBGXKFJZWKARQZ-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1 ZINC000004150500 569460527 /nfs/dbraw/zinc/46/05/27/569460527.db2.gz QNKCBKMCQDQVTC-UHFFFAOYSA-N 0 0 439.309 6.400 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000004150503 569460554 /nfs/dbraw/zinc/46/05/54/569460554.db2.gz WESRFNONMLCGQC-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000004163357 569460636 /nfs/dbraw/zinc/46/06/36/569460636.db2.gz MNRAWNPTBHOGSJ-XMMPIXPASA-N 0 0 446.963 5.362 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004177811 569460688 /nfs/dbraw/zinc/46/06/88/569460688.db2.gz HXFMAPRWVFBYGN-WZRBSPASSA-N 0 0 432.899 5.273 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004177815 569460693 /nfs/dbraw/zinc/46/06/93/569460693.db2.gz HXFMAPRWVFBYGN-LOWVWBTDSA-N 0 0 432.899 5.273 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)c1 ZINC000004187219 569460778 /nfs/dbraw/zinc/46/07/78/569460778.db2.gz NXKJPWHTYRFIAJ-UHFFFAOYSA-N 0 0 429.545 5.245 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)c1 ZINC000004186143 569460803 /nfs/dbraw/zinc/46/08/03/569460803.db2.gz SIVRQQYEBCFAIX-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(F)c(Cl)c2)S1 ZINC000004207775 569460907 /nfs/dbraw/zinc/46/09/07/569460907.db2.gz TXRKHHZPLOLGEQ-VIFPVBQESA-N 0 0 432.735 6.316 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(F)c3)n2-c2ccccc2C)c1 ZINC000004211658 569460961 /nfs/dbraw/zinc/46/09/61/569460961.db2.gz RDEPODOVMCMZQL-UHFFFAOYSA-N 0 0 435.524 5.691 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)c1 ZINC000004211431 569461002 /nfs/dbraw/zinc/46/10/02/569461002.db2.gz ATYPICYPMSNABT-UHFFFAOYSA-N 0 0 439.487 5.522 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2C)c1 ZINC000004212096 569461025 /nfs/dbraw/zinc/46/10/25/569461025.db2.gz ZLRKTVYCLMDBQE-UHFFFAOYSA-N 0 0 433.508 5.461 50 0 IKAARN O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000059371721 569461027 /nfs/dbraw/zinc/46/10/27/569461027.db2.gz DFCKDGUVZMUWCJ-FQEVSTJZSA-N 0 0 449.175 7.182 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1C ZINC000032305968 569461079 /nfs/dbraw/zinc/46/10/79/569461079.db2.gz FSRITEOZWLZJNX-UHFFFAOYSA-N 0 0 441.575 5.390 50 0 IKAARN O=C(NCc1ccccc1Cn1ccnc1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000032313670 569461152 /nfs/dbraw/zinc/46/11/52/569461152.db2.gz DKPCMSHADLUHDA-LDCALFFHSA-N 0 0 425.576 5.086 50 0 IKAARN COc1ccc2[nH]cc(C3=CCN(C(=O)CCc4ncc(-c5ccccc5F)o4)CC3)c2c1 ZINC000032336891 569461337 /nfs/dbraw/zinc/46/13/37/569461337.db2.gz NAEXEOQDHDWNRV-UHFFFAOYSA-N 0 0 445.494 5.219 50 0 IKAARN CCC(=O)N(CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccc(C(C)(C)C)cc1 ZINC000004256117 569461475 /nfs/dbraw/zinc/46/14/75/569461475.db2.gz JIMUUJUUYUWDFH-UHFFFAOYSA-N 0 0 442.559 5.567 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O)[C@@H]1CCCO1 ZINC000004290426 569461896 /nfs/dbraw/zinc/46/18/96/569461896.db2.gz KTAVDHSUWDRJKY-QFIPXVFZSA-N 0 0 428.440 5.337 50 0 IKAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000032537950 569461994 /nfs/dbraw/zinc/46/19/94/569461994.db2.gz FOZHBAQVSWQOAN-UHFFFAOYSA-N 0 0 444.541 5.131 50 0 IKAARN Cc1ccc([C@@H]2c3ccccc3OC(c3ccccc3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000038203782 569462376 /nfs/dbraw/zinc/46/23/76/569462376.db2.gz OMSYJNKSEPXPBZ-UAPYWLNTSA-N 0 0 441.577 6.803 50 0 IKAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008164391 569462407 /nfs/dbraw/zinc/46/24/07/569462407.db2.gz BGWOBXSELQLLEN-UHFFFAOYSA-N 0 0 425.536 5.112 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)n1CCC1=CCCCC1 ZINC000008312631 569462560 /nfs/dbraw/zinc/46/25/60/569462560.db2.gz GOEGQZNXEBVERZ-UHFFFAOYSA-N 0 0 425.554 5.922 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 ZINC000008343138 569462592 /nfs/dbraw/zinc/46/25/92/569462592.db2.gz AUSIFOLHISRMCF-OAQYLSRUSA-N 0 0 426.944 5.233 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1C ZINC000008340749 569462603 /nfs/dbraw/zinc/46/26/03/569462603.db2.gz PGIXZBCIAASAQA-UHFFFAOYSA-N 0 0 427.548 5.538 50 0 IKAARN Cc1ccccc1-c1nc2cc(Nc3ccc(-c4ccc(Cl)cc4)oc3=O)ccc2o1 ZINC000008385463 569462652 /nfs/dbraw/zinc/46/26/52/569462652.db2.gz BASALLHGQGUOEC-UHFFFAOYSA-N 0 0 428.875 6.820 50 0 IKAARN O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1csc(-c2ccccc2)n1 ZINC000038486322 569462763 /nfs/dbraw/zinc/46/27/63/569462763.db2.gz IMUNCXDBQVEPMP-UHFFFAOYSA-N 0 0 427.533 5.120 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)n2)c(O)c1 ZINC000038513250 569463158 /nfs/dbraw/zinc/46/31/58/569463158.db2.gz ZEWXYVYQILWDOV-QHCPKHFHSA-N 0 0 427.529 5.880 50 0 IKAARN O=C(Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1cccs1 ZINC000038489908 569463162 /nfs/dbraw/zinc/46/31/62/569463162.db2.gz FJACYQOQLYMEDW-UHFFFAOYSA-N 0 0 433.455 5.270 50 0 IKAARN COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000008397799 569463232 /nfs/dbraw/zinc/46/32/32/569463232.db2.gz MUMBQOYEXNURRJ-NRFANRHFSA-N 0 0 444.428 6.217 50 0 IKAARN Cc1ccc(-n2ncc(SCc3ccccc3)c(SCc3ccccc3)c2=O)cc1 ZINC000008399110 569463239 /nfs/dbraw/zinc/46/32/39/569463239.db2.gz GQGYDWVMDHUXQF-UHFFFAOYSA-N 0 0 430.598 6.126 50 0 IKAARN C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(Cl)cc1 ZINC000008397530 569463284 /nfs/dbraw/zinc/46/32/84/569463284.db2.gz RPXZXDKQLMGGMG-LNRIGYFWSA-N 0 0 448.400 6.154 50 0 IKAARN CCOC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC ZINC000008398919 569463285 /nfs/dbraw/zinc/46/32/85/569463285.db2.gz KPAJDYMPVILNQI-IBGZPJMESA-N 0 0 442.533 6.248 50 0 IKAARN O=C(Nc1cccs1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000038543024 569463367 /nfs/dbraw/zinc/46/33/67/569463367.db2.gz ZONWIYPUNADJML-UHFFFAOYSA-N 0 0 446.576 5.621 50 0 IKAARN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCOCC2)c1 ZINC000038546071 569463374 /nfs/dbraw/zinc/46/33/74/569463374.db2.gz UVFGAKGCLCWVBQ-NRFANRHFSA-N 0 0 442.606 5.109 50 0 IKAARN CCc1cc([C@@H](c2ccc(SC)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546054 569463377 /nfs/dbraw/zinc/46/33/77/569463377.db2.gz QRYXYXXOERGDFC-OAQYLSRUSA-N 0 0 442.606 5.299 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(C)cc2)N2CCOCC2)c1C ZINC000038546094 569463386 /nfs/dbraw/zinc/46/33/86/569463386.db2.gz CGEYISAWFOJXKD-OAQYLSRUSA-N 0 0 426.607 5.409 50 0 IKAARN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000038546069 569463426 /nfs/dbraw/zinc/46/34/26/569463426.db2.gz PQQFVLSXBGFTHH-NRFANRHFSA-N 0 0 442.606 5.109 50 0 IKAARN CCc1cc([C@H](c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546041 569463431 /nfs/dbraw/zinc/46/34/31/569463431.db2.gz QRMLQJSCFHGUGJ-FQEVSTJZSA-N 0 0 430.957 5.231 50 0 IKAARN Cc1ccc(-n2nnnc2C2(Nc3ccc(C)c(Br)c3)CCC(C)CC2)cc1 ZINC000008400407 569463556 /nfs/dbraw/zinc/46/35/56/569463556.db2.gz NDHWYBCJQFOILG-UHFFFAOYSA-N 0 0 440.389 5.559 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)ccn2)c2ccccc2F)c1C ZINC000038547507 569463733 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6.069 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547782 569463873 /nfs/dbraw/zinc/46/38/73/569463873.db2.gz XQMAQOPGRGEBFT-JOCHJYFZSA-N 0 0 435.524 6.200 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)n2)c2ccccc2F)c1C ZINC000038547598 569463887 /nfs/dbraw/zinc/46/38/87/569463887.db2.gz UTUUWCAJVLWJMM-JOCHJYFZSA-N 0 0 435.524 6.254 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccc(C(C)C)cc2)c1C ZINC000038547653 569463923 /nfs/dbraw/zinc/46/39/23/569463923.db2.gz WPOROYWPUIBPMY-XMMPIXPASA-N 0 0 445.588 6.930 50 0 IKAARN CCc1cc([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038547753 569463925 /nfs/dbraw/zinc/46/39/25/569463925.db2.gz VXLFOHGYBHSMJN-NRFANRHFSA-N 0 0 437.952 6.406 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547985 569463935 /nfs/dbraw/zinc/46/39/35/569463935.db2.gz UMVGBKJZDXKBRM-FQEVSTJZSA-N 0 0 436.512 5.649 50 0 IKAARN COc1ccc([C@H](Nc2nc(C)cc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547953 569463940 /nfs/dbraw/zinc/46/39/40/569463940.db2.gz OBCVVKBLUFUEHQ-NRFANRHFSA-N 0 0 448.548 5.519 50 0 IKAARN COc1ccccc1[C@H](Nc1nc(C)cc(C)n1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038547961 569463948 /nfs/dbraw/zinc/46/39/48/569463948.db2.gz LMMQFJXPNXNGIP-NRFANRHFSA-N 0 0 448.548 5.519 50 0 IKAARN CCc1cc([C@@H](Nc2ccccn2)c2ccc(C(C)C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547890 569463959 /nfs/dbraw/zinc/46/39/59/569463959.db2.gz NIPLJJWXVVKQCS-DEOSSOPVSA-N 0 0 445.588 6.876 50 0 IKAARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3nc4cc(C)c(C)cc4s3)s2)cc1 ZINC000038548609 569463979 /nfs/dbraw/zinc/46/39/79/569463979.db2.gz UMYFBGDEYFZOGL-UHFFFAOYSA-N 0 0 437.590 6.072 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@]2(C)C1=O ZINC000008403444 569464000 /nfs/dbraw/zinc/46/40/00/569464000.db2.gz HBEHUDJLUBTNBD-SVAWTBLWSA-N 0 0 441.958 6.282 50 0 IKAARN COc1ccc(C(=O)C[C@@H](Nc2cccc(Br)c2)c2ccc(OC)cc2)cc1 ZINC000008427041 569464118 /nfs/dbraw/zinc/46/41/18/569464118.db2.gz SMRMNPPTGIWZNB-JOCHJYFZSA-N 0 0 440.337 5.893 50 0 IKAARN COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(C2CCCCC2)C1=O ZINC000008424611 569464133 /nfs/dbraw/zinc/46/41/33/569464133.db2.gz RTFKJFICWLAVQA-SBEYKLCGSA-N 0 0 442.584 6.785 50 0 IKAARN Clc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000008427276 569464175 /nfs/dbraw/zinc/46/41/75/569464175.db2.gz XWDZOFMJCDRAFD-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN COc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000008427437 569464198 /nfs/dbraw/zinc/46/41/98/569464198.db2.gz JPKKTNJEPCHXQP-QHCPKHFHSA-N 0 0 437.337 5.822 50 0 IKAARN COc1ccc(/C(=C\C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000067192391 569464383 /nfs/dbraw/zinc/46/43/83/569464383.db2.gz UJWSENPQOBBZKN-KXEXVWEYSA-N 0 0 449.550 6.041 50 0 IKAARN COc1ccc(/C(=C\C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000067192393 569464410 /nfs/dbraw/zinc/46/44/10/569464410.db2.gz UJWSENPQOBBZKN-YKWODGTOSA-N 0 0 449.550 6.041 50 0 IKAARN CC(C)c1ccc(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1 ZINC000067206946 569464638 /nfs/dbraw/zinc/46/46/38/569464638.db2.gz FONUNMJISLUTFZ-UHFFFAOYSA-N 0 0 427.367 6.005 50 0 IKAARN Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)c(C)c1 ZINC000067206699 569464685 /nfs/dbraw/zinc/46/46/85/569464685.db2.gz SDVXHYUNJMNXCV-UHFFFAOYSA-N 0 0 441.556 5.716 50 0 IKAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1Cl ZINC000067209029 569464744 /nfs/dbraw/zinc/46/47/44/569464744.db2.gz BXNIHYONGJANLS-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O ZINC000067209322 569464802 /nfs/dbraw/zinc/46/48/02/569464802.db2.gz LMCVXZUTNIHGLH-UHFFFAOYSA-N 0 0 449.601 5.610 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1C ZINC000067209287 569464803 /nfs/dbraw/zinc/46/48/03/569464803.db2.gz FWVGSILUNNQSLZ-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 ZINC000008448583 569464854 /nfs/dbraw/zinc/46/48/54/569464854.db2.gz JXHZAXDHYUETMI-UHFFFAOYSA-N 0 0 439.515 6.604 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)cc1 ZINC000067216877 569464870 /nfs/dbraw/zinc/46/48/70/569464870.db2.gz SBLQHZHDEYZPHS-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN CC[C@]12C=C(Sc3ccc(Cl)cc3)C[C@]1(C)C=C(Sc1ccc(Cl)cc1)C2 ZINC000008448372 569464884 /nfs/dbraw/zinc/46/48/84/569464884.db2.gz QUSWFYMBPHQHAJ-GOTSBHOMSA-N 0 0 433.469 8.856 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)cc1 ZINC000067216881 569464942 /nfs/dbraw/zinc/46/49/42/569464942.db2.gz SOYXKEGRMHAZKX-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c1 ZINC000067217169 569464953 /nfs/dbraw/zinc/46/49/53/569464953.db2.gz LYVDDMQUNRZGDY-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Nc1c(C(=O)NC2CC2)sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000008451084 569465091 /nfs/dbraw/zinc/46/50/91/569465091.db2.gz HJMCQFDXCACAHO-UHFFFAOYSA-N 0 0 435.515 5.257 50 0 IKAARN Cc1cc2nc(SCC(=O)Nc3ccccc3C(C)C)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237252 569465502 /nfs/dbraw/zinc/46/55/02/569465502.db2.gz WSGZLGGYDFLNNO-UHFFFAOYSA-N 0 0 446.576 5.185 50 0 IKAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000067239212 569465687 /nfs/dbraw/zinc/46/56/87/569465687.db2.gz XUECKUIVQNNZFZ-LLVKDONJSA-N 0 0 439.368 5.042 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nccn2nc(-c3ccccc3C)cc12 ZINC000038651813 569465698 /nfs/dbraw/zinc/46/56/98/569465698.db2.gz NKRYWOJNROPYRD-UHFFFAOYSA-N 0 0 446.963 6.614 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nccn2nc(-c3ccc(C)cc3C)cc12 ZINC000038652000 569465732 /nfs/dbraw/zinc/46/57/32/569465732.db2.gz MJNNTOAIJFNTRC-UHFFFAOYSA-N 0 0 426.545 6.269 50 0 IKAARN COc1ccc(-c2nc(CSc3nccn4nc(-c5ccccc5C)cc34)c(C)o2)cc1 ZINC000038651820 569465738 /nfs/dbraw/zinc/46/57/38/569465738.db2.gz SEJYARDIJMVNNK-UHFFFAOYSA-N 0 0 442.544 5.969 50 0 IKAARN COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000038655081 569465791 /nfs/dbraw/zinc/46/57/91/569465791.db2.gz RVEDXSZCGNOOBF-UHFFFAOYSA-N 0 0 444.462 5.153 50 0 IKAARN CCOc1ccc(-c2noc(-c3cn(-c4ccc(OC)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245183 569465835 /nfs/dbraw/zinc/46/58/35/569465835.db2.gz RESVNQRTXJEQOC-UHFFFAOYSA-N 0 0 439.471 5.115 50 0 IKAARN CSc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245459 569465871 /nfs/dbraw/zinc/46/58/71/569465871.db2.gz HHWJRWXPCHUROO-UHFFFAOYSA-N 0 0 445.931 6.083 50 0 IKAARN CSc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245377 569465887 /nfs/dbraw/zinc/46/58/87/569465887.db2.gz MVWDFHPYFYCNRQ-UHFFFAOYSA-N 0 0 429.476 5.569 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)c(F)c3)no2)cn1-c1cccc(F)c1 ZINC000067245436 569465889 /nfs/dbraw/zinc/46/58/89/569465889.db2.gz TXQUESFVELWROV-UHFFFAOYSA-N 0 0 435.817 5.639 50 0 IKAARN CCc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245408 569465914 /nfs/dbraw/zinc/46/59/14/569465914.db2.gz TYQNDYHHPPWRCW-UHFFFAOYSA-N 0 0 427.891 5.924 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000067245644 569465961 /nfs/dbraw/zinc/46/59/61/569465961.db2.gz LTSDKHRIDZRASC-UHFFFAOYSA-N 0 0 434.970 5.096 50 0 IKAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000067257533 569466079 /nfs/dbraw/zinc/46/60/79/569466079.db2.gz BCUSEVRDBYVOAQ-UHFFFAOYSA-N 0 0 433.455 5.210 50 0 IKAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000067257489 569466102 /nfs/dbraw/zinc/46/61/02/569466102.db2.gz IJNBQQSTFAUNNM-UHFFFAOYSA-N 0 0 433.455 5.210 50 0 IKAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000067258847 569466181 /nfs/dbraw/zinc/46/61/81/569466181.db2.gz AUARVKMCMAAYQX-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000067259255 569466189 /nfs/dbraw/zinc/46/61/89/569466189.db2.gz HHCXJPBBDGNCLL-UHFFFAOYSA-N 0 0 432.564 6.174 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(Cl)c2)c(OC)c1 ZINC000067258912 569466190 /nfs/dbraw/zinc/46/61/90/569466190.db2.gz ZNXFSHMYCNMPEJ-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2cccc(Cl)c2)c1 ZINC000067258966 569466191 /nfs/dbraw/zinc/46/61/91/569466191.db2.gz OFXFSRCESVGJCJ-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)ccc2OC)cc1 ZINC000067258947 569466219 /nfs/dbraw/zinc/46/62/19/569466219.db2.gz FBEBUJNMVXWPBE-UHFFFAOYSA-N 0 0 430.529 5.338 50 0 IKAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2Cl)c1 ZINC000067258798 569466227 /nfs/dbraw/zinc/46/62/27/569466227.db2.gz ANBWWORTEPAJSL-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2ccc(C)cc2)c1 ZINC000067259826 569466230 /nfs/dbraw/zinc/46/62/30/569466230.db2.gz DLMRHZILWYDVAB-UHFFFAOYSA-N 0 0 442.540 5.800 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccc(Cl)cc1 ZINC000067259596 569466253 /nfs/dbraw/zinc/46/62/53/569466253.db2.gz OGYWMJVJZIXXIA-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 ZINC000067259568 569466262 /nfs/dbraw/zinc/46/62/62/569466262.db2.gz HAHHDYJYGVIFGX-UHFFFAOYSA-N 0 0 449.019 6.688 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000067259639 569466276 /nfs/dbraw/zinc/46/62/76/569466276.db2.gz KHTUTHPRHCTQIG-UHFFFAOYSA-N 0 0 440.927 5.869 50 0 IKAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3cccc(Cl)c3)c(=O)c12 ZINC000067260398 569466330 /nfs/dbraw/zinc/46/63/30/569466330.db2.gz YSFAVSSGWKEMRB-UHFFFAOYSA-N 0 0 440.937 5.247 50 0 IKAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(Cc3ccc(C)cc3)c(=O)c12 ZINC000067260423 569466367 /nfs/dbraw/zinc/46/63/67/569466367.db2.gz WYWHDOXKZBIACU-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(Cc3cccc(C)c3)c(=O)c12 ZINC000067260325 569466373 /nfs/dbraw/zinc/46/63/73/569466373.db2.gz MDYNCWAUPXCISC-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5ccccc5)n4ccn3n2)cc1 ZINC000067260664 569466405 /nfs/dbraw/zinc/46/64/05/569466405.db2.gz SGRKEXNFFZCAQJ-UHFFFAOYSA-N 0 0 429.549 5.515 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5cccc(C)c5)n4ccn3n2)cc1 ZINC000067260668 569466420 /nfs/dbraw/zinc/46/64/20/569466420.db2.gz RZAHBURFBGIASB-UHFFFAOYSA-N 0 0 443.576 5.824 50 0 IKAARN Fc1ccc(-c2nnn3c2nc(NCc2ccc(Br)cc2)c2ccccc23)cc1 ZINC000067261400 569466510 /nfs/dbraw/zinc/46/65/10/569466510.db2.gz GVSIUMZFFQJNMM-UHFFFAOYSA-N 0 0 448.299 5.458 50 0 IKAARN COc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1OC ZINC000067261468 569466517 /nfs/dbraw/zinc/46/65/17/569466517.db2.gz YFXLEVLJRBHMNX-UHFFFAOYSA-N 0 0 445.910 5.227 50 0 IKAARN CCCOc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261464 569466519 /nfs/dbraw/zinc/46/65/19/569466519.db2.gz PHPHHXXWNPMQSG-UHFFFAOYSA-N 0 0 443.938 5.999 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 ZINC000067284810 569466773 /nfs/dbraw/zinc/46/67/73/569466773.db2.gz NQHIULPGEOFSFU-UHFFFAOYSA-N 0 0 438.362 5.338 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)N4CCCc5ccccc54)nccn3n2)cc1C ZINC000067289667 569467542 /nfs/dbraw/zinc/46/75/42/569467542.db2.gz YMAFEFWVVHIDJC-UHFFFAOYSA-N 0 0 428.561 5.085 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)N[C@H](C)CCc4ccccc4)nccn3n2)cc1C ZINC000067289893 569467549 /nfs/dbraw/zinc/46/75/49/569467549.db2.gz VWTJRWWNFXRARI-HXUWFJFHSA-N 0 0 444.604 5.243 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4Cl)nccn3n2)cc1C ZINC000067290007 569467564 /nfs/dbraw/zinc/46/75/64/569467564.db2.gz AEKDDDAOBNGAKG-UHFFFAOYSA-N 0 0 440.931 5.536 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1 ZINC000067290276 569467579 /nfs/dbraw/zinc/46/75/79/569467579.db2.gz KIZLWHPPSDOOSR-UHFFFAOYSA-N 0 0 438.940 5.179 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(CC)c4)nccn3n2)cc1 ZINC000067290413 569467581 /nfs/dbraw/zinc/46/75/81/569467581.db2.gz SFOJCXFHOYGBCL-UHFFFAOYSA-N 0 0 432.549 5.088 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(Cl)ccc1F ZINC000067293112 569467790 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IKAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067295517 569467975 /nfs/dbraw/zinc/46/79/75/569467975.db2.gz BDUSMMFNHJTSQL-MEFGMAGPSA-N 0 0 428.366 5.087 50 0 IKAARN CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 ZINC000067297178 569467993 /nfs/dbraw/zinc/46/79/93/569467993.db2.gz CCWAQGQWAKISLI-SGEDCAFJSA-N 0 0 440.499 5.711 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCCO3)c(C)c1 ZINC000067297162 569468016 /nfs/dbraw/zinc/46/80/16/569468016.db2.gz ALICLFKMSZHRDA-RQZHXJHFSA-N 0 0 426.472 5.306 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3Cl)oc21 ZINC000067295907 569468038 /nfs/dbraw/zinc/46/80/38/569468038.db2.gz JPIXMVFYERNVNR-CLCOLTQESA-N 0 0 429.860 5.175 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(Cl)c3F)oc21 ZINC000067295914 569468039 /nfs/dbraw/zinc/46/80/39/569468039.db2.gz YNVCXIPRWXRHKT-CLCOLTQESA-N 0 0 429.860 5.175 50 0 IKAARN CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)c1 ZINC000067297625 569468043 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6.324 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1 ZINC000067334460 569468846 /nfs/dbraw/zinc/46/88/46/569468846.db2.gz OQBXVTAQBOYKCK-UHFFFAOYSA-N 0 0 448.592 5.157 50 0 IKAARN CCCCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 ZINC000067339355 569468982 /nfs/dbraw/zinc/46/89/82/569468982.db2.gz SDPNPSMTUOMWRH-CSKARUKUSA-N 0 0 442.309 5.804 50 0 IKAARN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 ZINC000067339361 569468989 /nfs/dbraw/zinc/46/89/89/569468989.db2.gz BBNSVHCRMWBIQH-CSKARUKUSA-N 0 0 428.282 5.412 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)sc2c1CC[C@H](C)C2 ZINC000067339263 569469020 /nfs/dbraw/zinc/46/90/20/569469020.db2.gz QAVSIVQRNFVZPS-ZCRIDZFUSA-N 0 0 429.925 5.711 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(Cl)cc1 ZINC000008575224 569469173 /nfs/dbraw/zinc/46/91/73/569469173.db2.gz WNUVZIRGRITUST-PNHLSOANSA-N 0 0 433.895 5.075 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(Cl)cc1 ZINC000008598130 569469265 /nfs/dbraw/zinc/46/92/65/569469265.db2.gz PCTIBUXXMQMKFY-UHFFFAOYSA-N 0 0 447.048 5.519 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H]1c3c(C)nn(-c4ccccc4)c3SC[C@H]1C(C)(C)O2 ZINC000038856680 569469345 /nfs/dbraw/zinc/46/93/45/569469345.db2.gz KSHYNOCOVGSEDW-OFNKIYASSA-N 0 0 442.588 5.700 50 0 IKAARN CCCCCCc1nc2cc(C)cc(C)c2n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000008625363 569469518 /nfs/dbraw/zinc/46/95/18/569469518.db2.gz AWPLGZKJVAUCHQ-UHFFFAOYSA-N 0 0 434.668 8.066 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 ZINC000008656871 569469655 /nfs/dbraw/zinc/46/96/55/569469655.db2.gz CBQQSPIKWJXYMZ-OAQYLSRUSA-N 0 0 425.532 5.334 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008656880 569469679 /nfs/dbraw/zinc/46/96/79/569469679.db2.gz GUSMJHVUBAWQCZ-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc2c(c1)CCc1c-2nn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F ZINC000008694676 569470114 /nfs/dbraw/zinc/47/01/14/569470114.db2.gz PKCXXEYMFPNJMP-UHFFFAOYSA-N 0 0 427.451 5.789 50 0 IKAARN c1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc1-c1ccc2ccccc2c1 ZINC000008694703 569470165 /nfs/dbraw/zinc/47/01/65/569470165.db2.gz KVYMKQNZVQXAJO-MHZLTWQESA-N 0 0 431.564 7.319 50 0 IKAARN CC(C)c1ccc(OCc2nnc(SCc3csc(-c4ccccc4)n3)n2N)cc1 ZINC000008704434 569470285 /nfs/dbraw/zinc/47/02/85/569470285.db2.gz FUVOGMICQCJKRM-UHFFFAOYSA-N 0 0 437.594 5.110 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000008708049 569470637 /nfs/dbraw/zinc/47/06/37/569470637.db2.gz YBTIQAURMMFKBK-HSZRJFAPSA-N 0 0 447.991 5.885 50 0 IKAARN C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000008708523 569470697 /nfs/dbraw/zinc/47/06/97/569470697.db2.gz KKGGOYXNUXPYGN-HNNXBMFYSA-N 0 0 438.582 5.222 50 0 IKAARN COc1ccc(-c2nnc(CSc3nc(-c4ccc(Br)cc4)c[nH]3)o2)cc1 ZINC000008709345 569470839 /nfs/dbraw/zinc/47/08/39/569470839.db2.gz LJUABNZIXSIOPY-UHFFFAOYSA-N 0 0 443.326 5.190 50 0 IKAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000008710716 569470914 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O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000008717900 569471225 /nfs/dbraw/zinc/47/12/25/569471225.db2.gz WXHTWYKLKYUPQY-UHFFFAOYSA-N 0 0 431.586 5.994 50 0 IKAARN O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000008718868 569471330 /nfs/dbraw/zinc/47/13/30/569471330.db2.gz FHLIDALJARBMGH-RUZDIDTESA-N 0 0 438.426 5.279 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000008718746 569471347 /nfs/dbraw/zinc/47/13/47/569471347.db2.gz VEEGUJNYZZQOSB-OAQYLSRUSA-N 0 0 439.943 5.475 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000008719484 569471445 /nfs/dbraw/zinc/47/14/45/569471445.db2.gz CFIXEUMAAABXCE-UHFFFAOYSA-N 0 0 449.557 5.064 50 0 IKAARN Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000008720020 569471477 /nfs/dbraw/zinc/47/14/77/569471477.db2.gz GBLXGAYZLZGDNG-HSZRJFAPSA-N 0 0 427.529 5.123 50 0 IKAARN COc1cc([C@H]2Nc3sc(C)c(C)c3C(=O)N2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000008721966 569471770 /nfs/dbraw/zinc/47/17/70/569471770.db2.gz HCVRMDJHLVGFBT-LJQANCHMSA-N 0 0 442.924 5.100 50 0 IKAARN O=C1N[C@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000008722389 569471788 /nfs/dbraw/zinc/47/17/88/569471788.db2.gz PNOSBHMWSPWLBJ-FQEVSTJZSA-N 0 0 444.387 5.467 50 0 IKAARN Cc1ccc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)c1 ZINC000008722597 569471817 /nfs/dbraw/zinc/47/18/17/569471817.db2.gz AOXKHPGDZQLGOY-LJAQVGFWSA-N 0 0 435.523 5.464 50 0 IKAARN CC(C)(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000008722396 569471826 /nfs/dbraw/zinc/47/18/26/569471826.db2.gz PPDQMUBHZQIOGB-HSZRJFAPSA-N 0 0 431.605 5.458 50 0 IKAARN CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2F)n1CC(C)C)c1ccccc1 ZINC000008724669 569472001 /nfs/dbraw/zinc/47/20/01/569472001.db2.gz CMDWIZKJFDVPMC-OAQYLSRUSA-N 0 0 440.588 5.442 50 0 IKAARN CC(=O)N(c1nc(CSc2nccn2Cc2ccccc2)cs1)c1cccc(C)c1 ZINC000008725203 569472178 /nfs/dbraw/zinc/47/21/78/569472178.db2.gz LVLCQOOBJAGCEQ-UHFFFAOYSA-N 0 0 434.590 5.673 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000008726085 569472232 /nfs/dbraw/zinc/47/22/32/569472232.db2.gz UBQWENKRWZKSQG-UHFFFAOYSA-N 0 0 443.528 5.227 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008725974 569472240 /nfs/dbraw/zinc/47/22/40/569472240.db2.gz OGMPFPCJFSIQOP-SFHVURJKSA-N 0 0 445.592 5.016 50 0 IKAARN C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000008727887 569472327 /nfs/dbraw/zinc/47/23/27/569472327.db2.gz IGHHOCBJPFBAJF-VGSWGCGISA-N 0 0 432.593 5.555 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc2ccccc21 ZINC000008728182 569472403 /nfs/dbraw/zinc/47/24/03/569472403.db2.gz XWDQKVMAIKNION-UHFFFAOYSA-N 0 0 446.551 5.718 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)NCc2c(C)nn(-c3ccccc3)c2C)no1 ZINC000008728333 569472414 /nfs/dbraw/zinc/47/24/14/569472414.db2.gz RLIUSWJTBOPFMH-UHFFFAOYSA-N 0 0 432.549 5.008 50 0 IKAARN O=[S@](Cc1ccc(Cl)cc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000008733520 569472502 /nfs/dbraw/zinc/47/25/02/569472502.db2.gz SSTUNBWCHUQWAS-MHZLTWQESA-N 0 0 439.791 5.832 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c1 ZINC000008735799 569472684 /nfs/dbraw/zinc/47/26/84/569472684.db2.gz YINYJTFSITVRFJ-UHFFFAOYSA-N 0 0 439.386 7.402 50 0 IKAARN COc1ccc(CN(CC[C@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 ZINC000008738752 569472718 /nfs/dbraw/zinc/47/27/18/569472718.db2.gz WWCBCYJNXBONTI-SXOMAYOGSA-N 0 0 439.596 5.215 50 0 biogenic IKAARN COc1ccc(CN(CC[C@@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)C(C)=O)cc1 ZINC000008738753 569472721 /nfs/dbraw/zinc/47/27/21/569472721.db2.gz WWCBCYJNXBONTI-RRPNLBNLSA-N 0 0 439.596 5.215 50 0 biogenic IKAARN Cc1ccc(Cl)c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1Cl ZINC000008747198 569473115 /nfs/dbraw/zinc/47/31/15/569473115.db2.gz KDZPHPDOUJIMAJ-UHFFFAOYSA-N 0 0 433.364 5.491 50 0 IKAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1C ZINC000008747642 569473136 /nfs/dbraw/zinc/47/31/36/569473136.db2.gz FUGPPGVMZBIOHW-DEOSSOPVSA-N 0 0 442.588 5.076 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000008751233 569473418 /nfs/dbraw/zinc/47/34/18/569473418.db2.gz WXRRCJCCFHBSIF-HZPDHXFCSA-N 0 0 439.556 5.009 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@](O)(C(F)(F)C(F)F)C2)cc1 ZINC000008750704 569473423 /nfs/dbraw/zinc/47/34/23/569473423.db2.gz CRBLQGYZIIJMAW-HXUWFJFHSA-N 0 0 435.446 5.322 50 0 IKAARN COc1cccc(CNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)c1 ZINC000008751962 569473478 /nfs/dbraw/zinc/47/34/78/569473478.db2.gz PSFDOXLVUCWWBJ-UHFFFAOYSA-N 0 0 433.504 5.013 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(Cl)cc3)CC2=O)c1 ZINC000008752415 569473536 /nfs/dbraw/zinc/47/35/36/569473536.db2.gz QRJKVLSJKHCJBX-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN COc1ccccc1N(C(C)=O)c1nc(CSc2ccc(NC(C)=O)cc2)cs1 ZINC000008752339 569473541 /nfs/dbraw/zinc/47/35/41/569473541.db2.gz JLDPXASWVOYBPJ-UHFFFAOYSA-N 0 0 427.551 5.087 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000008752511 569473564 /nfs/dbraw/zinc/47/35/64/569473564.db2.gz SCNCCWHXBSITJO-JOCHJYFZSA-N 0 0 439.559 5.737 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccco1 ZINC000008752624 569473574 /nfs/dbraw/zinc/47/35/74/569473574.db2.gz PUYPUAQIATZUAO-UHFFFAOYSA-N 0 0 428.319 5.347 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c1 ZINC000008752552 569473575 /nfs/dbraw/zinc/47/35/75/569473575.db2.gz ZTCGBWNJRGFJEO-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c(C)c1 ZINC000008752711 569473579 /nfs/dbraw/zinc/47/35/79/569473579.db2.gz OSBLPYUGJFNKEN-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c(C)c1 ZINC000008752682 569473604 /nfs/dbraw/zinc/47/36/04/569473604.db2.gz IHOPHOBYCJPOIH-GOSISDBHSA-N 0 0 447.941 6.014 50 0 IKAARN COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCC(C)=O ZINC000008753089 569473646 /nfs/dbraw/zinc/47/36/46/569473646.db2.gz UPQDRCBFQQDFKG-UHFFFAOYSA-N 0 0 445.544 5.203 50 0 IKAARN Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 ZINC000008753000 569473662 /nfs/dbraw/zinc/47/36/62/569473662.db2.gz MLWWDAIPUXPTDD-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008753319 569473668 /nfs/dbraw/zinc/47/36/68/569473668.db2.gz VJMXICPCJMERFH-QHCPKHFHSA-N 0 0 439.559 5.330 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)c(C)c1 ZINC000008753223 569473672 /nfs/dbraw/zinc/47/36/72/569473672.db2.gz DPUIWFYALSEHFM-FQEVSTJZSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008753291 569473676 /nfs/dbraw/zinc/47/36/76/569473676.db2.gz MMFOYVRYYQURAN-HSZRJFAPSA-N 0 0 439.559 5.248 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008753171 569473680 /nfs/dbraw/zinc/47/36/80/569473680.db2.gz SEEUMVOZCGARPC-LJQANCHMSA-N 0 0 429.495 5.083 50 0 IKAARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008753253 569473683 /nfs/dbraw/zinc/47/36/83/569473683.db2.gz IZINBGRQXPCJHB-FQEVSTJZSA-N 0 0 441.550 6.042 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000008753302 569473695 /nfs/dbraw/zinc/47/36/95/569473695.db2.gz LIIJEFLHZSOYDQ-HSZRJFAPSA-N 0 0 439.559 5.330 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000008753418 569473700 /nfs/dbraw/zinc/47/37/00/569473700.db2.gz XIOKHEQBDYFWOZ-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008753286 569473708 /nfs/dbraw/zinc/47/37/08/569473708.db2.gz KLWBNZVCVFNHHL-HSZRJFAPSA-N 0 0 439.559 5.248 50 0 IKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 ZINC000008753390 569473710 /nfs/dbraw/zinc/47/37/10/569473710.db2.gz OACPRMARQSGCOT-GOSISDBHSA-N 0 0 447.941 6.014 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1Cl ZINC000008754833 569473859 /nfs/dbraw/zinc/47/38/59/569473859.db2.gz NAOMEWOPXCUVGI-GOSISDBHSA-N 0 0 431.923 5.289 50 0 IKAARN COc1ccc(OCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000008754654 569473861 /nfs/dbraw/zinc/47/38/61/569473861.db2.gz JYHFOWCZPYVLDE-IBGZPJMESA-N 0 0 435.568 5.019 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000008755008 569473885 /nfs/dbraw/zinc/47/38/85/569473885.db2.gz BJPDVJNZLYNLIF-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000008755201 569473909 /nfs/dbraw/zinc/47/39/09/569473909.db2.gz WLEUCRMMPSYVPP-FQEVSTJZSA-N 0 0 429.951 5.821 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc(Cl)c1 ZINC000008754999 569473911 /nfs/dbraw/zinc/47/39/11/569473911.db2.gz QRCKJOWCNOUQOK-GOSISDBHSA-N 0 0 431.923 5.289 50 0 IKAARN Cc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008755193 569473915 /nfs/dbraw/zinc/47/39/15/569473915.db2.gz YXEBCGRNYHYLFP-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000008755050 569473919 /nfs/dbraw/zinc/47/39/19/569473919.db2.gz COOQTCIDCIBKDG-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O ZINC000008755205 569473920 /nfs/dbraw/zinc/47/39/20/569473920.db2.gz MNZMDRPTPKHOMM-GOSISDBHSA-N 0 0 447.941 5.960 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000008755495 569473943 /nfs/dbraw/zinc/47/39/43/569473943.db2.gz YUQUFDJIIXRWDO-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000008755212 569473974 /nfs/dbraw/zinc/47/39/74/569473974.db2.gz FZLCAROIKGUZJC-HXUWFJFHSA-N 0 0 429.951 5.821 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000008755499 569473979 /nfs/dbraw/zinc/47/39/79/569473979.db2.gz YUQUFDJIIXRWDO-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000008755903 569473994 /nfs/dbraw/zinc/47/39/94/569473994.db2.gz PSYFXFXMXXMPNM-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000008755666 569473995 /nfs/dbraw/zinc/47/39/95/569473995.db2.gz RJTXHGHTYAGKQZ-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccc(Cl)cc1 ZINC000008755982 569473997 /nfs/dbraw/zinc/47/39/97/569473997.db2.gz DTDVUQMOJYGVJX-IBGZPJMESA-N 0 0 445.950 5.679 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O ZINC000008755675 569474008 /nfs/dbraw/zinc/47/40/08/569474008.db2.gz ASCKVYXRIJASAZ-LJQANCHMSA-N 0 0 445.950 5.576 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000008755682 569474035 /nfs/dbraw/zinc/47/40/35/569474035.db2.gz FMLULCNDCWYSDT-IBGZPJMESA-N 0 0 445.950 5.576 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756199 569474073 /nfs/dbraw/zinc/47/40/73/569474073.db2.gz IFXPGFYICLGZFL-IBGZPJMESA-N 0 0 429.495 5.083 50 0 IKAARN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008756153 569474080 /nfs/dbraw/zinc/47/40/80/569474080.db2.gz IDESSRKJOJDTRY-HXUWFJFHSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1C ZINC000008756261 569474083 /nfs/dbraw/zinc/47/40/83/569474083.db2.gz YFHQPXDVKAKKJI-OAQYLSRUSA-N 0 0 441.550 5.978 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756193 569474097 /nfs/dbraw/zinc/47/40/97/569474097.db2.gz FHFIXWCEYIJSDG-FQEVSTJZSA-N 0 0 443.522 5.337 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCCC2)Nc2ccccc21 ZINC000008756977 569474104 /nfs/dbraw/zinc/47/41/04/569474104.db2.gz LXEHDFSDLLUJPK-UHFFFAOYSA-N 0 0 428.001 6.243 50 0 IKAARN Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3F)c2=O)cc1F ZINC000008756930 569474114 /nfs/dbraw/zinc/47/41/14/569474114.db2.gz IUCXXVFUAZZGNF-UHFFFAOYSA-N 0 0 434.467 5.002 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(Cl)cc3)c2c1 ZINC000008756695 569474115 /nfs/dbraw/zinc/47/41/15/569474115.db2.gz IHTLPNJHJKQPMS-UHFFFAOYSA-N 0 0 438.936 5.782 50 0 IKAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccc(C)cc2)sc1Nc1ccc(CC)cc1 ZINC000008756730 569474128 /nfs/dbraw/zinc/47/41/28/569474128.db2.gz BPTVJOJKGUGHHB-UHFFFAOYSA-N 0 0 442.606 5.359 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(-c3ccccc3)cn2N)cs1)c1cccc(C)c1C ZINC000008757278 569474132 /nfs/dbraw/zinc/47/41/32/569474132.db2.gz UEOYWBVPKASDRP-UHFFFAOYSA-N 0 0 449.605 5.314 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1F ZINC000008758286 569474167 /nfs/dbraw/zinc/47/41/67/569474167.db2.gz UAPQVIKYNJNMPM-QGZVFWFLSA-N 0 0 449.913 5.428 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000008758349 569474170 /nfs/dbraw/zinc/47/41/70/569474170.db2.gz QPGOYKAXJNFMLF-HXUWFJFHSA-N 0 0 443.522 5.473 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008758281 569474176 /nfs/dbraw/zinc/47/41/76/569474176.db2.gz PZTFLEYFNXELGS-IBGZPJMESA-N 0 0 429.495 5.083 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1F ZINC000008758287 569474180 /nfs/dbraw/zinc/47/41/80/569474180.db2.gz UAPQVIKYNJNMPM-KRWDZBQOSA-N 0 0 449.913 5.428 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1C ZINC000008758157 569474183 /nfs/dbraw/zinc/47/41/83/569474183.db2.gz QXJDZPJQPVLJFD-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)N(c3ccccc3)c3ccccc3)c2n1 ZINC000008757948 569474200 /nfs/dbraw/zinc/47/42/00/569474200.db2.gz DAYLGUFJNZJELZ-UHFFFAOYSA-N 0 0 434.543 6.354 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000008758166 569474203 /nfs/dbraw/zinc/47/42/03/569474203.db2.gz GHGDAUVWGVBIMD-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 ZINC000008758441 569474205 /nfs/dbraw/zinc/47/42/05/569474205.db2.gz LUCCIALKDZIMRP-HXUWFJFHSA-N 0 0 429.951 5.875 50 0 IKAARN COc1ccccc1CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000008761682 569474251 /nfs/dbraw/zinc/47/42/51/569474251.db2.gz DQAQNCRFNJHXFK-UHFFFAOYSA-N 0 0 442.466 5.649 50 0 IKAARN Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 ZINC000008758643 569474256 /nfs/dbraw/zinc/47/42/56/569474256.db2.gz VGLSUAXIPZWOBC-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN C[C@@H]1CCCC(=O)CCCC=Cc2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 ZINC000008762135 569474287 /nfs/dbraw/zinc/47/42/87/569474287.db2.gz ALQNIJCGTCZRDM-NORHQAJESA-N 0 0 436.504 5.136 50 0 IKAARN CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(OC)cc2OC)c2c(C)oc(C)c21 ZINC000008762515 569474328 /nfs/dbraw/zinc/47/43/28/569474328.db2.gz WSHLHLFBFTXGIW-WEMUOSSPSA-N 0 0 445.515 6.071 50 0 biogenic IKAARN CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000008762492 569474368 /nfs/dbraw/zinc/47/43/68/569474368.db2.gz KPEXUEVAOKNNQI-XAYXJRQQSA-N 0 0 445.515 6.071 50 0 biogenic IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000008763596 569474437 /nfs/dbraw/zinc/47/44/37/569474437.db2.gz WFMOGQHPUBZYPQ-IGKIAQTJSA-N 0 0 428.532 6.070 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000008766636 569474782 /nfs/dbraw/zinc/47/47/82/569474782.db2.gz SXMAZUBSSDBCLK-UHFFFAOYSA-N 0 0 446.315 5.023 50 0 IKAARN Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn2c1C(=O)c1ccccc1 ZINC000008766581 569474787 /nfs/dbraw/zinc/47/47/87/569474787.db2.gz CBLZWPQCDIYIMF-UHFFFAOYSA-N 0 0 429.932 6.196 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@H](C)CC4)cc1 ZINC000008765737 569474804 /nfs/dbraw/zinc/47/48/04/569474804.db2.gz ZYWORNFNBSXOGS-MRXNPFEDSA-N 0 0 435.545 5.910 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3ccccc3c1)cc2Cl ZINC000008765711 569474815 /nfs/dbraw/zinc/47/48/15/569474815.db2.gz TVSKCZXXJMLGSV-UHFFFAOYSA-N 0 0 443.908 5.525 50 0 IKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1C)cc2Br ZINC000008765698 569474826 /nfs/dbraw/zinc/47/48/26/569474826.db2.gz MKPDQPMLPGKAAL-UHFFFAOYSA-N 0 0 436.327 5.124 50 0 IKAARN Cc1ccc(SCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000008767706 569474922 /nfs/dbraw/zinc/47/49/22/569474922.db2.gz ZQRMJLDIRILPJF-UHFFFAOYSA-N 0 0 425.366 6.090 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(Cl)c2)o1 ZINC000008767963 569474946 /nfs/dbraw/zinc/47/49/46/569474946.db2.gz VQTOZUFFNGWSIU-WIYYLYMNSA-N 0 0 443.728 6.246 50 0 IKAARN COCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N/c1ccccc1 ZINC000008768344 569474956 /nfs/dbraw/zinc/47/49/56/569474956.db2.gz JDOJGPFKNMGSNZ-OCOZRVBESA-N 0 0 449.601 5.718 50 0 IKAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1c(C)cccc1CC ZINC000008768547 569475002 /nfs/dbraw/zinc/47/50/02/569475002.db2.gz JMJXTGQLXGFIJC-UHFFFAOYSA-N 0 0 442.606 5.359 50 0 IKAARN CC(C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@H](C)CC3 ZINC000008768541 569475003 /nfs/dbraw/zinc/47/50/03/569475003.db2.gz ZASUWYAAGASVHQ-GFCCVEGCSA-N 0 0 445.013 5.374 50 0 IKAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1ccc(CC)cc1 ZINC000008768558 569475006 /nfs/dbraw/zinc/47/50/06/569475006.db2.gz YUWSTGUIFTUELG-UHFFFAOYSA-N 0 0 428.579 5.051 50 0 IKAARN Fc1ccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc32)cc1 ZINC000008769501 569475040 /nfs/dbraw/zinc/47/50/40/569475040.db2.gz GWFDWXRFQREEDO-UHFFFAOYSA-N 0 0 426.535 6.412 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1F ZINC000008770530 569475122 /nfs/dbraw/zinc/47/51/22/569475122.db2.gz NSCNRUHMLAWIIP-XNMGPUDCSA-N 0 0 441.587 5.736 50 0 IKAARN C[C@@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008770240 569475135 /nfs/dbraw/zinc/47/51/35/569475135.db2.gz FKZHNUPDGQUVJU-BPOJBYEUSA-N 0 0 440.631 6.343 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008770646 569475183 /nfs/dbraw/zinc/47/51/83/569475183.db2.gz WBOIGRSHRKTGCL-UHFFFAOYSA-N 0 0 429.329 5.920 50 0 IKAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000008772054 569475215 /nfs/dbraw/zinc/47/52/15/569475215.db2.gz GMLKEZMWKDEKPJ-UHFFFAOYSA-N 0 0 432.545 5.167 50 0 IKAARN COc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1OC ZINC000008772050 569475217 /nfs/dbraw/zinc/47/52/17/569475217.db2.gz CLFYILNJUVLDCR-IBGZPJMESA-N 0 0 434.923 5.400 50 0 IKAARN Clc1ccc(-c2cs/c(=N/c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000008771465 569475255 /nfs/dbraw/zinc/47/52/55/569475255.db2.gz DMUNVYYWDOVMFG-AZPGRJICSA-N 0 0 429.976 6.826 50 0 IKAARN Cc1sc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)n(C(C)C)c(=O)c2c1C ZINC000008772661 569475275 /nfs/dbraw/zinc/47/52/75/569475275.db2.gz ZOGPATHCHOZNIP-AWEZNQCLSA-N 0 0 426.567 5.559 50 0 IKAARN Cc1nc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n(C2CCCC2)c1C ZINC000008778031 569475475 /nfs/dbraw/zinc/47/54/75/569475475.db2.gz QGHKUGPIMLNRCE-UHFFFAOYSA-N 0 0 440.613 5.018 50 0 IKAARN CC(=O)c1ccc(N2CCN(C(=O)CSc3cccc4cccc(Cl)c43)CC2)cc1 ZINC000008780249 569475611 /nfs/dbraw/zinc/47/56/11/569475611.db2.gz ILSQNTHHFFQUFP-UHFFFAOYSA-N 0 0 438.980 5.137 50 0 IKAARN COC(=O)c1ccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000008781489 569475664 /nfs/dbraw/zinc/47/56/64/569475664.db2.gz NNWJBEPMYMUPQA-ACCUITESSA-N 0 0 437.326 6.348 50 0 IKAARN Clc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000008781657 569475712 /nfs/dbraw/zinc/47/57/12/569475712.db2.gz YSGYSZUEBUCGHO-JXMROGBWSA-N 0 0 448.180 7.869 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC000008781816 569475720 /nfs/dbraw/zinc/47/57/20/569475720.db2.gz ZDKMWXPTHAJJLV-UHFFFAOYSA-N 0 0 431.266 6.312 50 0 IKAARN FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1c(Cl)cccc1Cl ZINC000008782104 569475761 /nfs/dbraw/zinc/47/57/61/569475761.db2.gz FJZDSGNTLWXWFA-UHFFFAOYSA-N 0 0 428.024 7.055 50 0 IKAARN CCCCCC1CCC(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000008782127 569475789 /nfs/dbraw/zinc/47/57/89/569475789.db2.gz SNORJSCNCMOSQA-UHFFFAOYSA-N 0 0 441.681 7.639 50 0 IKAARN CCCCOc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 ZINC000008782995 569475816 /nfs/dbraw/zinc/47/58/16/569475816.db2.gz UFRSRYIRDGWLPU-HHHXNRCGSA-N 0 0 447.594 7.728 50 0 IKAARN Cc1ccc(-n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2-c2ccccc2)cc1 ZINC000008784511 569475863 /nfs/dbraw/zinc/47/58/63/569475863.db2.gz AABXFDKTICFRPG-KRWDZBQOSA-N 0 0 439.544 5.333 50 0 IKAARN CCc1ccc([C@H]2CN3C(=O)N(c4ccc(C)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789519 569475954 /nfs/dbraw/zinc/47/59/54/569475954.db2.gz XITKOALUWQSSEZ-BTYSJIOQSA-N 0 0 449.554 5.868 50 0 biogenic IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@H]21 ZINC000008789921 569475988 /nfs/dbraw/zinc/47/59/88/569475988.db2.gz AJRXQQMYPFLZEZ-OSPHWJPCSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2ccc(OCc3ccccc3)cc2oc1=O ZINC000008790452 569476046 /nfs/dbraw/zinc/47/60/46/569476046.db2.gz BJORXSAWBPSICA-UHFFFAOYSA-N 0 0 426.424 5.154 50 0 biogenic IKAARN O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000008790931 569476142 /nfs/dbraw/zinc/47/61/42/569476142.db2.gz NMNRFCWTUFCTCO-UHFFFAOYSA-N 0 0 425.513 5.102 50 0 IKAARN COCCCNC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O ZINC000008791382 569476200 /nfs/dbraw/zinc/47/62/00/569476200.db2.gz ZNCQNJILTIDJPD-UHFFFAOYSA-N 0 0 447.531 5.217 50 0 biogenic IKAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 ZINC000008791675 569476275 /nfs/dbraw/zinc/47/62/75/569476275.db2.gz LGEHOAMRUYUDOJ-UHFFFAOYSA-N 0 0 446.503 5.303 50 0 biogenic IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1cccnc1)occ3-c1ccccc1 ZINC000008792044 569476313 /nfs/dbraw/zinc/47/63/13/569476313.db2.gz MJDDCDLGDNWBMK-UHFFFAOYSA-N 0 0 438.483 5.159 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccncc4)c(C)c3cc2c1-c1ccccc1 ZINC000008792041 569476336 /nfs/dbraw/zinc/47/63/36/569476336.db2.gz YVTPJIUKDPTFKJ-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN O=C(Cc1ccc(Cl)cc1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000008803149 569476499 /nfs/dbraw/zinc/47/64/99/569476499.db2.gz XKEDZXCCFJEFID-UHFFFAOYSA-N 0 0 429.879 5.399 50 0 IKAARN Clc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c(Cl)c1 ZINC000008809641 569476520 /nfs/dbraw/zinc/47/65/20/569476520.db2.gz BMBXGDGGCZYGDY-VWLOTQADSA-N 0 0 432.350 7.426 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(Br)cc2)cc1 ZINC000008809421 569476531 /nfs/dbraw/zinc/47/65/31/569476531.db2.gz ZSHJBMJNDPORCZ-ZJSXRUAMSA-N 0 0 447.332 5.510 50 0 IKAARN CCC1=Nc2cc(C(=O)NCCN(CC)c3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813165 569476700 /nfs/dbraw/zinc/47/67/00/569476700.db2.gz SJXZABMSHGVTNI-UHFFFAOYSA-N 0 0 443.616 6.247 50 0 IKAARN Fc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008817186 569476835 /nfs/dbraw/zinc/47/68/35/569476835.db2.gz VJFMKVICVXBPSM-UNMCSNQZSA-N 0 0 447.724 7.028 50 0 IKAARN CCCCCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000008816814 569476850 /nfs/dbraw/zinc/47/68/50/569476850.db2.gz UZQQUYDQOIIEOB-UHFFFAOYSA-N 0 0 439.606 6.633 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000008816746 569476871 /nfs/dbraw/zinc/47/68/71/569476871.db2.gz MPRXCXOBOBBYHI-BDYUSTAISA-N 0 0 428.532 6.070 50 0 IKAARN Clc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c(Cl)c1 ZINC000008817823 569476925 /nfs/dbraw/zinc/47/69/25/569476925.db2.gz MYYOIJJNVHZCQP-UHFFFAOYSA-N 0 0 445.147 7.110 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)c(Cl)c1)C(C)(C)N2 ZINC000008818219 569476978 /nfs/dbraw/zinc/47/69/78/569476978.db2.gz XTFRNJJOJUXDRS-NMWGTECJSA-N 0 0 437.417 7.075 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000008825117 569477283 /nfs/dbraw/zinc/47/72/83/569477283.db2.gz JQKGXMSDPSEMFX-LBPRGKRZSA-N 0 0 443.256 5.075 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)Oc2ccc(-c3nnco3)cc2)n1 ZINC000008825539 569477400 /nfs/dbraw/zinc/47/74/00/569477400.db2.gz WHUDIDMVABXNTA-UHFFFAOYSA-N 0 0 449.513 5.759 50 0 IKAARN C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008826304 569477561 /nfs/dbraw/zinc/47/75/61/569477561.db2.gz MRDIZTNNEUVFEJ-HNNXBMFYSA-N 0 0 431.517 5.174 50 0 IKAARN Cc1cc(OCc2cccc(Oc3ccccc3)c2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000008826509 569477568 /nfs/dbraw/zinc/47/75/68/569477568.db2.gz DFWDDAZFUTWJGN-UHFFFAOYSA-N 0 0 434.491 7.140 50 0 IKAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008827499 569477699 /nfs/dbraw/zinc/47/76/99/569477699.db2.gz WTXBRTPNIFOQRG-QFIPXVFZSA-N 0 0 438.508 5.769 50 0 IKAARN CC(C)CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000008828281 569477767 /nfs/dbraw/zinc/47/77/67/569477767.db2.gz OXDSZFHRLCIKSM-MRXNPFEDSA-N 0 0 426.358 5.365 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000008828213 569477770 /nfs/dbraw/zinc/47/77/70/569477770.db2.gz VRNNANWOQHQFLM-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)cc1 ZINC000008828171 569477788 /nfs/dbraw/zinc/47/77/88/569477788.db2.gz FLKXJCWFANQNHJ-HSZRJFAPSA-N 0 0 431.539 6.067 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 ZINC000008828178 569477808 /nfs/dbraw/zinc/47/78/08/569477808.db2.gz UXOSPPJFMINVEX-INIZCTEOSA-N 0 0 449.913 5.406 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008828296 569477852 /nfs/dbraw/zinc/47/78/52/569477852.db2.gz FWYWDIKJZQEQMQ-FQEVSTJZSA-N 0 0 443.522 5.392 50 0 IKAARN CC(C)CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000008828282 569477854 /nfs/dbraw/zinc/47/78/54/569477854.db2.gz OXDSZFHRLCIKSM-INIZCTEOSA-N 0 0 426.358 5.365 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000008836034 569478034 /nfs/dbraw/zinc/47/80/34/569478034.db2.gz UFHHJUYDSWAKDC-OXJNMPFZSA-N 0 0 445.415 6.868 50 0 IKAARN COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2C(=O)Nc2ccc(C)cc2)cc1 ZINC000008836322 569478039 /nfs/dbraw/zinc/47/80/39/569478039.db2.gz QRGTXEATJXLGKV-UHFFFAOYSA-N 0 0 444.512 5.083 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000008836035 569478050 /nfs/dbraw/zinc/47/80/50/569478050.db2.gz UFHHJUYDSWAKDC-UZLBHIALSA-N 0 0 445.415 6.868 50 0 IKAARN CC(C)CCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000008836136 569478054 /nfs/dbraw/zinc/47/80/54/569478054.db2.gz WMKOZNRMEYNNLC-UHFFFAOYSA-N 0 0 439.606 6.489 50 0 IKAARN CCOc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000008836554 569478058 /nfs/dbraw/zinc/47/80/58/569478058.db2.gz CKPKYRINCMBQTF-UHFFFAOYSA-N 0 0 430.508 5.044 50 0 IKAARN CCOc1ccc(-n2c(N)c(C(=O)OCC(CC)CC)c3nc4ccccc4nc32)cc1 ZINC000008836575 569478062 /nfs/dbraw/zinc/47/80/62/569478062.db2.gz ZQIOREUROCZNDT-UHFFFAOYSA-N 0 0 432.524 5.148 50 0 IKAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000008836591 569478067 /nfs/dbraw/zinc/47/80/67/569478067.db2.gz CFGNEPRASJLVMV-UHFFFAOYSA-N 0 0 428.879 5.166 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 ZINC000008836580 569478076 /nfs/dbraw/zinc/47/80/76/569478076.db2.gz GJGITQDONOYNTN-UHFFFAOYSA-N 0 0 446.551 5.011 50 0 IKAARN CCCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3cccc(C)c3)c2)cc1 ZINC000008837197 569478165 /nfs/dbraw/zinc/47/81/65/569478165.db2.gz DEPHFMCVXJCLSN-URGPHPNLSA-N 0 0 441.571 7.445 50 0 biogenic IKAARN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@H](O)[C@H]2[C@@H]1c1ccccc1OC ZINC000008837859 569478267 /nfs/dbraw/zinc/47/82/67/569478267.db2.gz ASEVQPKUGBNXIJ-YGPDHOBYSA-N 0 0 448.607 6.233 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 ZINC000008843211 569478510 /nfs/dbraw/zinc/47/85/10/569478510.db2.gz DKYVACQJUAVPEK-UHFFFAOYSA-N 0 0 434.561 5.920 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008844042 569478529 /nfs/dbraw/zinc/47/85/29/569478529.db2.gz YFEWHYYLXSGVGR-UHFFFAOYSA-N 0 0 435.405 5.787 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000008844275 569478582 /nfs/dbraw/zinc/47/85/82/569478582.db2.gz XCXVOCAVHAZZEH-UHFFFAOYSA-N 0 0 444.384 5.783 50 0 IKAARN Cc1ccc([C@H]2Nc3c(sc4nc(C5CC5)cc(-c5ccc(Cl)cc5)c43)C(=O)N2)o1 ZINC000008844868 569478645 /nfs/dbraw/zinc/47/86/45/569478645.db2.gz QJLJZJFDMMUESO-NRFANRHFSA-N 0 0 435.936 6.250 50 0 IKAARN COc1cccc(-c2csc(-c3c(N)c(C(=O)c4ccc(C)cc4)n4ccccc34)n2)c1 ZINC000008844874 569478660 /nfs/dbraw/zinc/47/86/60/569478660.db2.gz PFFAEEMDQYABKE-UHFFFAOYSA-N 0 0 439.540 5.860 50 0 IKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008845310 569478807 /nfs/dbraw/zinc/47/88/07/569478807.db2.gz QQQIMHIELZDMHA-RUZDIDTESA-N 0 0 449.551 5.171 50 0 IKAARN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCc2ccccc2)C3=O)c(O)c1 ZINC000008845773 569478930 /nfs/dbraw/zinc/47/89/30/569478930.db2.gz CDBXDUHKZNIZDK-VWLOTQADSA-N 0 0 427.479 5.018 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)nc1 ZINC000008845997 569479013 /nfs/dbraw/zinc/47/90/13/569479013.db2.gz LDJHPJWUZLBKHL-QHCPKHFHSA-N 0 0 428.463 5.509 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846253 569479070 /nfs/dbraw/zinc/47/90/70/569479070.db2.gz NZOKTCPPEGXKAW-DEOSSOPVSA-N 0 0 440.499 5.031 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000008846279 569479093 /nfs/dbraw/zinc/47/90/93/569479093.db2.gz QEBAQORXXZIJBP-HSZRJFAPSA-N 0 0 444.462 5.174 50 0 IKAARN Clc1ccc(Cn2c(COc3cccc4ccccc43)nc3ccccc32)c(Cl)c1 ZINC000008846484 569479111 /nfs/dbraw/zinc/47/91/11/569479111.db2.gz AOEWERCIDINZKK-UHFFFAOYSA-N 0 0 433.338 7.124 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc(Cl)c1O ZINC000008846835 569479144 /nfs/dbraw/zinc/47/91/44/569479144.db2.gz CLVBXYOTCBCESM-SANMLTNESA-N 0 0 443.930 6.487 50 0 IKAARN O=C(COC(=O)c1oc2ccccc2c1CSC1=NCCS1)c1ccc(Cl)cc1 ZINC000008849667 569479222 /nfs/dbraw/zinc/47/92/22/569479222.db2.gz MEWPYOOXSDMCPV-UHFFFAOYSA-N 0 0 445.949 5.462 50 0 IKAARN COc1ccccc1CC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000008851371 569479421 /nfs/dbraw/zinc/47/94/21/569479421.db2.gz BGTAMTITXVFTEU-UHFFFAOYSA-N 0 0 440.377 5.327 50 0 IKAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1Cl ZINC000008852089 569479442 /nfs/dbraw/zinc/47/94/42/569479442.db2.gz PQQNVRXXYYXQPH-UHFFFAOYSA-N 0 0 449.960 5.156 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C)oc1ccccc12 ZINC000008852698 569479498 /nfs/dbraw/zinc/47/94/98/569479498.db2.gz KDTPATQGZJJDBW-HSZRJFAPSA-N 0 0 431.492 5.379 50 0 IKAARN O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000008854452 569479644 /nfs/dbraw/zinc/47/96/44/569479644.db2.gz QHSPZQRXYMTFAQ-UHFFFAOYSA-N 0 0 432.954 5.041 50 0 IKAARN CCc1sc(-c2nnc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)o2)cc1C ZINC000008855614 569479675 /nfs/dbraw/zinc/47/96/75/569479675.db2.gz TVCDWPGLDFITJF-UHFFFAOYSA-N 0 0 439.368 5.046 50 0 IKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(CN2CCCC2=O)cc1 ZINC000008855564 569479683 /nfs/dbraw/zinc/47/96/83/569479683.db2.gz GDYCLXWQLZNOBP-UHFFFAOYSA-N 0 0 427.529 5.338 50 0 IKAARN CCC(=O)Oc1cc2oc(CC)c(-c3nnc(-c4ccccc4)s3)c(=O)c2cc1CC ZINC000008861645 569480047 /nfs/dbraw/zinc/48/00/47/569480047.db2.gz DHZXXGOCFWKNFG-UHFFFAOYSA-N 0 0 434.517 5.419 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccc(Cl)cc3Cl)c2c1 ZINC000008861668 569480049 /nfs/dbraw/zinc/48/00/49/569480049.db2.gz NLCOSAKEFAEMHM-UHFFFAOYSA-N 0 0 442.729 7.390 50 0 IKAARN CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 ZINC000008862440 569480219 /nfs/dbraw/zinc/48/02/19/569480219.db2.gz VMFNSFWOAWMFOG-OAQYLSRUSA-N 0 0 432.549 5.229 50 0 IKAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCCC)cc1OCCC ZINC000008867887 569480299 /nfs/dbraw/zinc/48/02/99/569480299.db2.gz WXNMKOQXGNHMCZ-UHFFFAOYSA-N 0 0 439.512 5.355 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000008868728 569480359 /nfs/dbraw/zinc/48/03/59/569480359.db2.gz WRMZXHQOKNCQOF-KRWDZBQOSA-N 0 0 428.743 5.233 50 0 IKAARN CCOc1ccc(CN(Cc2ccccc2)C(=O)c2nc(SC)ncc2Cl)cc1 ZINC000008868223 569480378 /nfs/dbraw/zinc/48/03/78/569480378.db2.gz DDXDPGWUFQKPGL-UHFFFAOYSA-N 0 0 427.957 5.093 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000008868730 569480386 /nfs/dbraw/zinc/48/03/86/569480386.db2.gz WRMZXHQOKNCQOF-QGZVFWFLSA-N 0 0 428.743 5.233 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008869407 569480440 /nfs/dbraw/zinc/48/04/40/569480440.db2.gz PHKZAQZUAVDEGJ-YJADQXIJSA-N 0 0 426.368 7.122 50 0 IKAARN CCOc1ccc(-c2cc(OC(=O)COc3ccc(C)cc3)cc3sc(=O)oc32)cc1 ZINC000008869329 569480447 /nfs/dbraw/zinc/48/04/47/569480447.db2.gz PUPCODRAEJSNHD-UHFFFAOYSA-N 0 0 436.485 5.213 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000008869434 569480451 /nfs/dbraw/zinc/48/04/51/569480451.db2.gz YHYPRHUGLRIGLY-QHCPKHFHSA-N 0 0 429.472 5.229 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008869378 569480454 /nfs/dbraw/zinc/48/04/54/569480454.db2.gz HJOGPEXYPVBIEC-HSZRJFAPSA-N 0 0 435.520 5.182 50 0 IKAARN CC(C)(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869665 569480494 /nfs/dbraw/zinc/48/04/94/569480494.db2.gz RSYLKIYELFFQKX-QHCPKHFHSA-N 0 0 441.637 5.111 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 ZINC000008871028 569480715 /nfs/dbraw/zinc/48/07/15/569480715.db2.gz BVWQZESRPXURTH-UHFFFAOYSA-N 0 0 449.739 6.360 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000008871282 569480754 /nfs/dbraw/zinc/48/07/54/569480754.db2.gz XNFIOYMNYIQUGC-IBGZPJMESA-N 0 0 445.950 5.657 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000008871360 569480756 /nfs/dbraw/zinc/48/07/56/569480756.db2.gz KYOPYFOOPNSSGD-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC000008871420 569480780 /nfs/dbraw/zinc/48/07/80/569480780.db2.gz QIXXFWIVYKSDBP-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)c1 ZINC000008871409 569480790 /nfs/dbraw/zinc/48/07/90/569480790.db2.gz FEQHTJVECFXNOP-JOCHJYFZSA-N 0 0 447.538 5.767 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 ZINC000008871523 569480801 /nfs/dbraw/zinc/48/08/01/569480801.db2.gz FVVBVHICISMMOT-LJQANCHMSA-N 0 0 429.495 5.143 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)cc1 ZINC000008871453 569480805 /nfs/dbraw/zinc/48/08/05/569480805.db2.gz CSHYXBQEGHMQPF-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 ZINC000008871520 569480808 /nfs/dbraw/zinc/48/08/08/569480808.db2.gz NZBWNGRMWQWNDM-IBGZPJMESA-N 0 0 445.950 5.657 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 ZINC000008871518 569480815 /nfs/dbraw/zinc/48/08/15/569480815.db2.gz CWSSYZKPILTIQK-QFIPXVFZSA-N 0 0 439.559 5.621 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccccc1F ZINC000008871481 569480817 /nfs/dbraw/zinc/48/08/17/569480817.db2.gz VMRZVBWITPKRAE-HXUWFJFHSA-N 0 0 443.522 5.555 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 ZINC000008871449 569480823 /nfs/dbraw/zinc/48/08/23/569480823.db2.gz BFUQRXUTTPLAQA-QGZVFWFLSA-N 0 0 433.914 5.706 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 ZINC000008872049 569480895 /nfs/dbraw/zinc/48/08/95/569480895.db2.gz RVOSTYHXLNPYPU-UHFFFAOYSA-N 0 0 444.512 5.311 50 0 IKAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCc3cc(C)ccc3C)nn2)s1 ZINC000008875900 569481037 /nfs/dbraw/zinc/48/10/37/569481037.db2.gz UWRXKNLHLKLDBS-UHFFFAOYSA-N 0 0 433.602 6.493 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008874896 569481045 /nfs/dbraw/zinc/48/10/45/569481045.db2.gz YTSAAUWGZRTHMJ-WYRIXSBYSA-N 0 0 432.467 6.006 50 0 IKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccccc2C)nn1 ZINC000008875936 569481050 /nfs/dbraw/zinc/48/10/50/569481050.db2.gz JPGULEAJVXOBIV-UHFFFAOYSA-N 0 0 433.562 5.010 50 0 IKAARN COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008876488 569481147 /nfs/dbraw/zinc/48/11/47/569481147.db2.gz KYUJFFPYYKFASJ-MHZLTWQESA-N 0 0 442.559 5.557 50 0 biogenic IKAARN C[C@H](NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000008879431 569481339 /nfs/dbraw/zinc/48/13/39/569481339.db2.gz HJYPHUVDQQPLPC-MBBDBFLNSA-N 0 0 448.632 5.355 50 0 IKAARN COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)cc1 ZINC000039404161 569481555 /nfs/dbraw/zinc/48/15/55/569481555.db2.gz NRYQOHSJPLCWSM-UHFFFAOYSA-N 0 0 440.934 6.362 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000039548533 569481728 /nfs/dbraw/zinc/48/17/28/569481728.db2.gz NRCTVVMBOHBOFR-UHFFFAOYSA-N 0 0 439.519 5.445 50 0 IKAARN CCCCCCN(CCCCCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1 ZINC000068591618 569481814 /nfs/dbraw/zinc/48/18/14/569481814.db2.gz SGZHGMCXVQTQPD-RWEWTDSWSA-N 0 0 431.624 6.893 50 0 IKAARN CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(Cc2ccccc2)cc1 ZINC000039716450 569481854 /nfs/dbraw/zinc/48/18/54/569481854.db2.gz FXFOMNFXMRXEOR-RFBIWTDZSA-N 0 0 434.536 5.210 50 0 IKAARN Cc1c(C)c(C2=NON3N(C(=O)c4ccccc4)c4ccccc4N23)c(C)c(C)c1Cl ZINC000039777952 569481858 /nfs/dbraw/zinc/48/18/58/569481858.db2.gz GVQQFYHYFJTLMT-UHFFFAOYSA-N 0 0 432.911 5.479 50 0 IKAARN O=C(c1c(Br)sc(-c2ccccc2)c1-c1ccccc1)N1CCCCC1 ZINC000039776770 569481870 /nfs/dbraw/zinc/48/18/70/569481870.db2.gz FBJJDJLIEKCPOF-UHFFFAOYSA-N 0 0 426.379 6.471 50 0 IKAARN Cc1cccc(O[C@@H](C)c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000039900014 569481944 /nfs/dbraw/zinc/48/19/44/569481944.db2.gz FNECJNMFSNUMGY-NRFANRHFSA-N 0 0 427.548 5.926 50 0 IKAARN FC(F)Oc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000039929780 569481988 /nfs/dbraw/zinc/48/19/88/569481988.db2.gz SYYYXSMEMGDUPA-UGKGYDQZSA-N 0 0 426.850 6.184 50 0 IKAARN Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4nccs4)sc3n2)cc1 ZINC000039931502 569481995 /nfs/dbraw/zinc/48/19/95/569481995.db2.gz RZUABAIFSZLGLH-UHFFFAOYSA-N 0 0 432.530 5.823 50 0 IKAARN COC(=O)[C@@](Nc1ccc(Oc2ccccc2)cc1)(c1cc(C)c(O)c(C)c1)C(F)(F)F ZINC000039931556 569482005 /nfs/dbraw/zinc/48/20/05/569482005.db2.gz RAASWESKTFQILR-QHCPKHFHSA-N 0 0 445.437 5.844 50 0 IKAARN O=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000039930628 569482013 /nfs/dbraw/zinc/48/20/13/569482013.db2.gz MHEUAMJJYFHJAV-MHZLTWQESA-N 0 0 436.942 7.253 50 0 IKAARN COc1ccc(OC)c(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000039977915 569482184 /nfs/dbraw/zinc/48/21/84/569482184.db2.gz CTXQAJXPTIOKKI-UHFFFAOYSA-N 0 0 430.529 5.676 50 0 IKAARN Cc1ccc(CCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1Cl ZINC000040017316 569482634 /nfs/dbraw/zinc/48/26/34/569482634.db2.gz OCEQJZRPUSESQC-UHFFFAOYSA-N 0 0 432.351 5.722 50 0 IKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c12 ZINC000040024975 569482807 /nfs/dbraw/zinc/48/28/07/569482807.db2.gz QIJFGSZIMJBQSN-FQEVSTJZSA-N 0 0 440.528 5.785 50 0 IKAARN O=C(CSc1c[nH]c2ccccc12)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000008883256 569482970 /nfs/dbraw/zinc/48/29/70/569482970.db2.gz LOJRCWALYXPIAU-HXUWFJFHSA-N 0 0 435.549 5.839 50 0 IKAARN Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 ZINC000008883508 569483031 /nfs/dbraw/zinc/48/30/31/569483031.db2.gz CCFWQEZVVCNYJD-UHFFFAOYSA-N 0 0 445.302 5.071 50 0 IKAARN CCOc1ccc(OCCOC(=O)c2ccc(-n3nc(SC)sc3=S)cc2)cc1 ZINC000008884356 569483160 /nfs/dbraw/zinc/48/31/60/569483160.db2.gz KCMUXTSVVSQFSN-UHFFFAOYSA-N 0 0 448.591 5.020 50 0 IKAARN CC(=O)N[C@@H](CC(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1cccs1 ZINC000040033653 569483166 /nfs/dbraw/zinc/48/31/66/569483166.db2.gz DYLYDZLEIUOJMP-GBXCKJPGSA-N 0 0 438.618 5.162 50 0 IKAARN Cc1csc(CNC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1 ZINC000040037480 569483284 /nfs/dbraw/zinc/48/32/84/569483284.db2.gz TUPIINWWFZAVKB-UHFFFAOYSA-N 0 0 425.583 5.052 50 0 IKAARN C[C@H](Sc1n[nH]c(Cc2cccs2)n1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000040039552 569483317 /nfs/dbraw/zinc/48/33/17/569483317.db2.gz UZZLKKLVQZOZQH-JTQLQIEISA-N 0 0 437.472 5.379 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000040040408 569483484 /nfs/dbraw/zinc/48/34/84/569483484.db2.gz SJCLXJMEGLCGLC-INIZCTEOSA-N 0 0 448.466 5.049 50 0 IKAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000040043258 569483677 /nfs/dbraw/zinc/48/36/77/569483677.db2.gz IBJZFGOMBJXOBT-GOSISDBHSA-N 0 0 448.032 5.261 50 0 IKAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)o2)c1 ZINC000008895735 569483800 /nfs/dbraw/zinc/48/38/00/569483800.db2.gz ODTKYSLZTDWHTL-UHFFFAOYSA-N 0 0 431.517 5.355 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)cc1 ZINC000008895850 569483821 /nfs/dbraw/zinc/48/38/21/569483821.db2.gz FTZKGEBJZSMNGZ-NRFANRHFSA-N 0 0 434.590 5.248 50 0 IKAARN Cc1ccc(-c2csc(N(C(=O)CSc3nncs3)c3cccc(C)c3)n2)cc1 ZINC000008896803 569483909 /nfs/dbraw/zinc/48/39/09/569483909.db2.gz DSHZMUAXRHMJFN-UHFFFAOYSA-N 0 0 438.603 5.735 50 0 IKAARN Cc1ccc(-c2csc(N(C(=O)CSc3nncn3C)c3cccc(C)c3)n2)cc1 ZINC000008896975 569483914 /nfs/dbraw/zinc/48/39/14/569483914.db2.gz IKHWAWPVJJDZNB-UHFFFAOYSA-N 0 0 435.578 5.012 50 0 IKAARN COc1cccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)cs2)c1 ZINC000008897278 569483952 /nfs/dbraw/zinc/48/39/52/569483952.db2.gz SOAZIBVOIDXELN-UHFFFAOYSA-N 0 0 438.553 5.844 50 0 IKAARN COc1ccc(C2=NN(C(=O)CSc3ccc4ccccc4n3)[C@@H](c3ccco3)C2)cc1 ZINC000008898632 569483956 /nfs/dbraw/zinc/48/39/56/569483956.db2.gz GAMIPXFTBMWODR-JOCHJYFZSA-N 0 0 443.528 5.306 50 0 IKAARN CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1cccs1 ZINC000008898220 569484000 /nfs/dbraw/zinc/48/40/00/569484000.db2.gz PEQVIFVVCBOQRJ-CQSZACIVSA-N 0 0 430.624 5.036 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)cs2)cc1 ZINC000008898998 569484062 /nfs/dbraw/zinc/48/40/62/569484062.db2.gz OXWRCBKEOCBMFF-UHFFFAOYSA-N 0 0 438.553 5.844 50 0 IKAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000040050340 569484244 /nfs/dbraw/zinc/48/42/44/569484244.db2.gz NFLMVSUPZUCPTJ-UHFFFAOYSA-N 0 0 442.603 5.309 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000008901330 569484277 /nfs/dbraw/zinc/48/42/77/569484277.db2.gz IVLRZBUSWGFDNQ-UHFFFAOYSA-N 0 0 428.488 5.844 50 0 IKAARN CCCn1c2ccccc2nc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000040058812 569484680 /nfs/dbraw/zinc/48/46/80/569484680.db2.gz YBVYWMHMMVWAGW-UHFFFAOYSA-N 0 0 431.393 5.042 50 0 IKAARN COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(-c4ccccc4)cc2)CSC3)cc1 ZINC000008909716 569484715 /nfs/dbraw/zinc/48/47/15/569484715.db2.gz VULHJCZLNLTHHJ-UHFFFAOYSA-N 0 0 441.556 5.476 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000008909654 569484755 /nfs/dbraw/zinc/48/47/55/569484755.db2.gz JMIJARGEACCSAX-UHFFFAOYSA-N 0 0 443.547 5.919 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3nc(SCc4cccc(C)c4)n(C)c3c2)cc1 ZINC000008911822 569484905 /nfs/dbraw/zinc/48/49/05/569484905.db2.gz ZFENVHJMTHBNSM-UHFFFAOYSA-N 0 0 431.561 5.113 50 0 IKAARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000016031650 569484946 /nfs/dbraw/zinc/48/49/46/569484946.db2.gz IYFBLMBSWRSJAH-OZYVINHLSA-N 0 0 432.608 5.441 50 0 biogenic IKAARN CSc1cccc(NC(=O)Cn2c3cccnc3nc2SCc2ccc(F)cc2)c1 ZINC000008911953 569484952 /nfs/dbraw/zinc/48/49/52/569484952.db2.gz KAGCLBNZUCYVGL-UHFFFAOYSA-N 0 0 438.553 5.223 50 0 IKAARN Cc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2cccc(Cl)c2C)c1 ZINC000008913000 569485116 /nfs/dbraw/zinc/48/51/16/569485116.db2.gz WVRJNAASIUSGIT-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1Cn1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000008913071 569485161 /nfs/dbraw/zinc/48/51/61/569485161.db2.gz HOQFMCIIZCRDTM-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1cccc(F)c1 ZINC000008913045 569485162 /nfs/dbraw/zinc/48/51/62/569485162.db2.gz OFXBGFXMYDVLTJ-UHFFFAOYSA-N 0 0 430.508 5.874 50 0 IKAARN Cc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)cc2Cl)c1 ZINC000008913009 569485175 /nfs/dbraw/zinc/48/51/75/569485175.db2.gz QUVZDCLFWXUYPY-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1Cn1c2cnccc2nc1SCc1cccc(F)c1 ZINC000008913043 569485189 /nfs/dbraw/zinc/48/51/89/569485189.db2.gz KOIMJQRXRVJECY-UHFFFAOYSA-N 0 0 448.498 6.014 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2ccc(C)cc2)c1 ZINC000008913031 569485202 /nfs/dbraw/zinc/48/52/02/569485202.db2.gz IVWYAHQUHDIWCL-UHFFFAOYSA-N 0 0 434.590 5.393 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1Cn1c2cnccc2nc1SCc1ccccc1F ZINC000008913169 569485216 /nfs/dbraw/zinc/48/52/16/569485216.db2.gz XCHZGDKXSIUGGV-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccccc1F ZINC000008913192 569485226 /nfs/dbraw/zinc/48/52/26/569485226.db2.gz VJVCCVIMKSTPBV-HXUWFJFHSA-N 0 0 438.503 5.592 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008913285 569485258 /nfs/dbraw/zinc/48/52/58/569485258.db2.gz NRRJHTKTEOHKQJ-IBGZPJMESA-N 0 0 444.604 5.609 50 0 IKAARN CC[C@H]1CCCCN1C(=O)Cn1c2cnccc2nc1SCc1cccc(Cl)c1 ZINC000008913217 569485294 /nfs/dbraw/zinc/48/52/94/569485294.db2.gz YSKQGMKFQMJDIS-SFHVURJKSA-N 0 0 428.989 5.168 50 0 IKAARN Cc1ccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000008913321 569485296 /nfs/dbraw/zinc/48/52/96/569485296.db2.gz LABHHUUNMIOJQY-UHFFFAOYSA-N 0 0 430.577 5.219 50 0 IKAARN CC[C@H]1CCCCN1C(=O)Cn1c2cnccc2nc1SCc1c(F)cccc1Cl ZINC000008913245 569485301 /nfs/dbraw/zinc/48/53/01/569485301.db2.gz JECHMJZGXAHICY-HNNXBMFYSA-N 0 0 446.979 5.307 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008913428 569485309 /nfs/dbraw/zinc/48/53/09/569485309.db2.gz QMFGUCIRTJMHTP-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008913448 569485325 /nfs/dbraw/zinc/48/53/25/569485325.db2.gz DAGNICCPTXYCAH-GOSISDBHSA-N 0 0 430.577 5.300 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008913429 569485343 /nfs/dbraw/zinc/48/53/43/569485343.db2.gz QMFGUCIRTJMHTP-IBGZPJMESA-N 0 0 444.604 5.609 50 0 IKAARN CCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2C)cc1 ZINC000008913660 569485364 /nfs/dbraw/zinc/48/53/64/569485364.db2.gz JERCRJKWJFGOEM-UHFFFAOYSA-N 0 0 430.577 5.220 50 0 IKAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cc(Br)c(Br)s1 ZINC000040069847 569485410 /nfs/dbraw/zinc/48/54/10/569485410.db2.gz NRYGVPJOKGDGFB-VIFPVBQESA-N 0 0 433.165 5.115 50 0 IKAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000040069867 569485447 /nfs/dbraw/zinc/48/54/47/569485447.db2.gz CWBOLENGVDXYLQ-HXUWFJFHSA-N 0 0 440.543 6.169 50 0 IKAARN COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccccc1Cl ZINC000008915143 569485501 /nfs/dbraw/zinc/48/55/01/569485501.db2.gz XODYJJGMAQQTPT-UHFFFAOYSA-N 0 0 448.887 6.016 50 0 IKAARN CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Br)cc2)cc1 ZINC000008915261 569485533 /nfs/dbraw/zinc/48/55/33/569485533.db2.gz UKRBGDHJNDLVGT-UHFFFAOYSA-N 0 0 428.326 5.212 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000008915469 569485593 /nfs/dbraw/zinc/48/55/93/569485593.db2.gz OYXBTXKXOMIFEV-SFHVURJKSA-N 0 0 428.743 5.233 50 0 IKAARN COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 ZINC000008915807 569485596 /nfs/dbraw/zinc/48/55/96/569485596.db2.gz OGGWLDLEDVZKDB-IBGZPJMESA-N 0 0 445.950 5.576 50 0 IKAARN COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008915801 569485612 /nfs/dbraw/zinc/48/56/12/569485612.db2.gz HWYDTOBBZGHFRJ-QGZVFWFLSA-N 0 0 449.913 5.406 50 0 IKAARN COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 ZINC000008915798 569485643 /nfs/dbraw/zinc/48/56/43/569485643.db2.gz IUHJYIBJRAIFPD-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N1CCc2ccccc2C1 ZINC000040071002 569485663 /nfs/dbraw/zinc/48/56/63/569485663.db2.gz VKVLYJOQWVFMPD-MHZLTWQESA-N 0 0 437.543 5.152 50 0 IKAARN C[C@H]1C[C@@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 ZINC000040070972 569485692 /nfs/dbraw/zinc/48/56/92/569485692.db2.gz KKLFOGLZDYVXNE-HTAPYJJXSA-N 0 0 431.020 5.398 50 0 IKAARN Cc1cc2nc(Sc3nnc(-c4ccccc4Br)o3)c3ccccc3n2n1 ZINC000040071372 569485748 /nfs/dbraw/zinc/48/57/48/569485748.db2.gz DBYGOFJHUNCWHB-UHFFFAOYSA-N 0 0 438.310 5.155 50 0 IKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)cc1 ZINC000008916298 569485765 /nfs/dbraw/zinc/48/57/65/569485765.db2.gz ITNVQGQXKJQYLS-UHFFFAOYSA-N 0 0 444.944 5.732 50 0 IKAARN CCCOc1cccc(/C=C2/S[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)c1 ZINC000008916535 569485798 /nfs/dbraw/zinc/48/57/98/569485798.db2.gz JWFXRAUKUYVIFO-NTWBUQQASA-N 0 0 445.584 6.612 50 0 IKAARN CCCOc1cccc(/C=C2/S[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)c1 ZINC000008916533 569485805 /nfs/dbraw/zinc/48/58/05/569485805.db2.gz JWFXRAUKUYVIFO-XKGHIZKOSA-N 0 0 445.584 6.612 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008917146 569485999 /nfs/dbraw/zinc/48/59/99/569485999.db2.gz OCDZLSBLUPBNMY-ASSGYOTOSA-N 0 0 448.031 7.766 50 0 IKAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)n1 ZINC000008917478 569486058 /nfs/dbraw/zinc/48/60/58/569486058.db2.gz RZTCXCMPJQPVFD-UHFFFAOYSA-N 0 0 435.883 5.584 50 0 IKAARN CCc1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(C)c3)N2C1=O ZINC000008918394 569486266 /nfs/dbraw/zinc/48/62/66/569486266.db2.gz HNFSUUJPILPBLM-AZGAKELHSA-N 0 0 435.527 5.522 50 0 biogenic IKAARN CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC ZINC000008918616 569486363 /nfs/dbraw/zinc/48/63/63/569486363.db2.gz LRGCDADUFCTAIR-HSBSSIIGSA-N 0 0 434.580 5.210 50 0 biogenic IKAARN Cc1cc(Br)cc2c1nc(-c1ccccc1)c(C)c2C(=O)NC1CCCCC1 ZINC000008919270 569486420 /nfs/dbraw/zinc/48/64/20/569486420.db2.gz KMXNXGBOINKBCQ-UHFFFAOYSA-N 0 0 437.381 6.344 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21)c1ccc(Cl)s1 ZINC000008918998 569486428 /nfs/dbraw/zinc/48/64/28/569486428.db2.gz FNUAESFQPZXTQF-RUZDIDTESA-N 0 0 447.943 5.562 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000008920887 569486520 /nfs/dbraw/zinc/48/65/20/569486520.db2.gz MTHVBNUESRSLER-NYHFZMIOSA-N 0 0 438.568 7.117 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000008920890 569486529 /nfs/dbraw/zinc/48/65/29/569486529.db2.gz MTHVBNUESRSLER-IVZQSRNASA-N 0 0 438.568 7.117 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)s1 ZINC000008920915 569486771 /nfs/dbraw/zinc/48/67/71/569486771.db2.gz DDWSVIYYHIDQKF-LAUBAEHRSA-N 0 0 447.398 5.648 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)s1 ZINC000008920920 569486777 /nfs/dbraw/zinc/48/67/77/569486777.db2.gz DDWSVIYYHIDQKF-DYESRHJHSA-N 0 0 447.398 5.648 50 0 IKAARN Cc1cc(C)c(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)c1C ZINC000008921983 569486846 /nfs/dbraw/zinc/48/68/46/569486846.db2.gz AVAPFPXOJCXJHN-MHZLTWQESA-N 0 0 447.962 5.581 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 ZINC000008922735 569486906 /nfs/dbraw/zinc/48/69/06/569486906.db2.gz ZSPZTRMVHYXWQZ-HHHXNRCGSA-N 0 0 447.962 5.581 50 0 IKAARN Cc1ccc(C)c(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c1 ZINC000008922623 569486916 /nfs/dbraw/zinc/48/69/16/569486916.db2.gz GSDZZEPAAQFAAK-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1C ZINC000008922076 569486952 /nfs/dbraw/zinc/48/69/52/569486952.db2.gz MGUWELGOFQQPJK-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN Cc1ccc(C)c(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)c1 ZINC000008923056 569486984 /nfs/dbraw/zinc/48/69/84/569486984.db2.gz PWEPCHYXMGDGST-SANMLTNESA-N 0 0 433.935 5.007 50 0 IKAARN CCCc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000008923077 569487005 /nfs/dbraw/zinc/48/70/05/569487005.db2.gz FOXJRIRBACJFRZ-MHZLTWQESA-N 0 0 447.962 5.342 50 0 IKAARN Cc1[nH]c2ccccc2c1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000008922824 569487015 /nfs/dbraw/zinc/48/70/15/569487015.db2.gz OZVHPABLVUZCED-QFIPXVFZSA-N 0 0 445.613 6.316 50 0 IKAARN COc1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000008925995 569487176 /nfs/dbraw/zinc/48/71/76/569487176.db2.gz UUKTXSKHUSFFPV-MYHFBWBUSA-N 0 0 444.531 5.742 50 0 IKAARN Cc1ccccc1NC(=O)N(O)[C@@H]1N(c2ccccc2C)C(=O)N(CCC(C)C)C1(C)C ZINC000008926373 569487219 /nfs/dbraw/zinc/48/72/19/569487219.db2.gz PSMWGZMFZMYGTH-QFIPXVFZSA-N 0 0 438.572 5.620 50 0 IKAARN Cc1ccccc1NC(=O)N(O)[C@@H]1N(c2ccccc2C)C(=O)N(C2CCCC2)C1(C)C ZINC000008926384 569487223 /nfs/dbraw/zinc/48/72/23/569487223.db2.gz PPZWYRINGLEDBS-QFIPXVFZSA-N 0 0 436.556 5.516 50 0 IKAARN Cc1cccc(N(N=O)C2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)c1 ZINC000008926077 569487240 /nfs/dbraw/zinc/48/72/40/569487240.db2.gz FMQHJNZJLAGKJQ-UHFFFAOYSA-N 0 0 432.572 5.899 50 0 IKAARN Cc1ccccc1NC(=O)N(O)[C@H]1N(c2ccccc2C)C(=O)N(C2CCCC2)C1(C)C ZINC000008926383 569487258 /nfs/dbraw/zinc/48/72/58/569487258.db2.gz PPZWYRINGLEDBS-JOCHJYFZSA-N 0 0 436.556 5.516 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3c(C)c(C)c(C)c(C)c3C)C2=O)cc1 ZINC000008927666 569487299 /nfs/dbraw/zinc/48/72/99/569487299.db2.gz PAOGQPRRKFXITB-GDLZYMKVSA-N 0 0 441.571 5.545 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000040098588 569487531 /nfs/dbraw/zinc/48/75/31/569487531.db2.gz PEMINLRVPDDFMV-UHFFFAOYSA-N 0 0 427.854 5.386 50 0 IKAARN Cc1c(C[NH2+][C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000008932545 569487655 /nfs/dbraw/zinc/48/76/55/569487655.db2.gz CZUOJOUUMIDIND-QHCPKHFHSA-N 0 0 440.946 5.811 50 0 IKAARN Cc1c(C[NH2+]CCc2c[nH]c3ccccc23)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932656 569487679 /nfs/dbraw/zinc/48/76/79/569487679.db2.gz YIRWGXMLQOUVGA-UHFFFAOYSA-N 0 0 435.955 5.318 50 0 IKAARN Cc1c(C[NH2+]CCc2ccccc2C)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000008932784 569487680 /nfs/dbraw/zinc/48/76/80/569487680.db2.gz JXSVSLYAYGZTCC-UHFFFAOYSA-N 0 0 428.935 5.285 50 0 IKAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000008932707 569487689 /nfs/dbraw/zinc/48/76/89/569487689.db2.gz PJZGRSUDIOIBNS-UHFFFAOYSA-N 0 0 441.369 5.212 50 0 IKAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000008932548 569487714 /nfs/dbraw/zinc/48/77/14/569487714.db2.gz AMNQGMUHFXFKTC-HNNXBMFYSA-N 0 0 428.935 5.537 50 0 IKAARN CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3c(-c3cccs3)c2C1 ZINC000008934302 569487934 /nfs/dbraw/zinc/48/79/34/569487934.db2.gz NBXPQBJKZFLUAW-MRXNPFEDSA-N 0 0 446.641 6.989 50 0 IKAARN CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@@H]1N(O)C(=O)Nc1cccc(Cl)c1 ZINC000008934568 569487949 /nfs/dbraw/zinc/48/79/49/569487949.db2.gz YZYJIQBWKOZQNA-MRXNPFEDSA-N 0 0 439.965 5.341 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 ZINC000008936537 569488011 /nfs/dbraw/zinc/48/80/11/569488011.db2.gz SFJWUUNSAQVLLY-UHFFFAOYSA-N 0 0 426.563 5.102 50 0 IKAARN CC(=O)N1CCC(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)(c2ccccc2)CC1 ZINC000008936412 569488066 /nfs/dbraw/zinc/48/80/66/569488066.db2.gz JXBOCOQWDDRKOP-UHFFFAOYSA-N 0 0 428.532 5.306 50 0 IKAARN CN(CCOc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104504 569488149 /nfs/dbraw/zinc/48/81/49/569488149.db2.gz JKIJPEREBWPTEC-UHFFFAOYSA-N 0 0 429.929 5.197 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)CSc3nnc(-c4cc(C)cc(C)c4)o3)c2)cs1 ZINC000008940479 569488332 /nfs/dbraw/zinc/48/83/32/569488332.db2.gz YHVRXGZLVJRPRH-UHFFFAOYSA-N 0 0 436.562 5.516 50 0 IKAARN COCCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 ZINC000008943115 569488759 /nfs/dbraw/zinc/48/87/59/569488759.db2.gz PWSRPEIIZFMVHV-SFHVURJKSA-N 0 0 446.576 5.172 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000008943307 569488822 /nfs/dbraw/zinc/48/88/22/569488822.db2.gz SELRQIVBNNSCSW-SNVBAGLBSA-N 0 0 441.862 5.430 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000008943301 569488831 /nfs/dbraw/zinc/48/88/31/569488831.db2.gz SELRQIVBNNSCSW-JTQLQIEISA-N 0 0 441.862 5.430 50 0 IKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000008943757 569488882 /nfs/dbraw/zinc/48/88/82/569488882.db2.gz VTAXORBKVYRGSP-UHFFFAOYSA-N 0 0 433.512 5.186 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000040127595 569489736 /nfs/dbraw/zinc/48/97/36/569489736.db2.gz ZTYRTGASQQOLTB-UHFFFAOYSA-N 0 0 429.756 5.256 50 0 IKAARN O=C(Cc1csc(Cc2ccccn2)n1)NCCC(c1ccccc1)c1ccccc1 ZINC000040128740 569489772 /nfs/dbraw/zinc/48/97/72/569489772.db2.gz HJCRFHNWWHMHPV-UHFFFAOYSA-N 0 0 427.573 5.010 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000008951735 569489948 /nfs/dbraw/zinc/48/99/48/569489948.db2.gz CYWFTJOUFOPMEB-HXUWFJFHSA-N 0 0 449.528 5.248 50 0 IKAARN CCOc1cc(C(=O)Nc2nc3c(s2)c(C)ccc3OC)cc(OCC)c1OCC ZINC000008956143 569490238 /nfs/dbraw/zinc/49/02/38/569490238.db2.gz PEYAGIFJLYAFMP-UHFFFAOYSA-N 0 0 430.526 5.062 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000008959165 569490275 /nfs/dbraw/zinc/49/02/75/569490275.db2.gz KPJHWNBZXFQWKT-UHFFFAOYSA-N 0 0 435.951 7.198 50 0 IKAARN CC(C)CN1c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2OCC(C)(C)C1=O ZINC000008959768 569490337 /nfs/dbraw/zinc/49/03/37/569490337.db2.gz IQKZMHCESQFJAQ-UHFFFAOYSA-N 0 0 434.458 5.365 50 0 IKAARN Cc1sc(=O)n(CC(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)c1-c1ccc(F)cc1 ZINC000040132930 569490383 /nfs/dbraw/zinc/49/03/83/569490383.db2.gz AJYUPILSOXQAHV-CQSZACIVSA-N 0 0 444.959 5.430 50 0 IKAARN C[C@H](Oc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cn1)c1ccccc1 ZINC000040132717 569490401 /nfs/dbraw/zinc/49/04/01/569490401.db2.gz BFLPVLPDPIZFFQ-SFHVURJKSA-N 0 0 426.520 5.118 50 0 IKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(Cn2ccccc2=O)cc1 ZINC000040134835 569490560 /nfs/dbraw/zinc/49/05/60/569490560.db2.gz YCMCLRCKDBCYML-UHFFFAOYSA-N 0 0 435.936 5.234 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)cc1F ZINC000040135348 569490671 /nfs/dbraw/zinc/49/06/71/569490671.db2.gz TZRWOOHDYMWNHF-KBPBESRZSA-N 0 0 435.902 5.072 50 0 IKAARN CN(C(=O)NCCC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1ccccn1 ZINC000040135592 569490702 /nfs/dbraw/zinc/49/07/02/569490702.db2.gz NCFDZWFYSGNEAR-MUUNZHRXSA-N 0 0 435.571 6.035 50 0 IKAARN CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000040139323 569490827 /nfs/dbraw/zinc/49/08/27/569490827.db2.gz IEXZYJMPPPXKKR-GHTZIAJQSA-N 0 0 442.987 5.116 50 0 IKAARN CN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C1=O ZINC000008961019 569490877 /nfs/dbraw/zinc/49/08/77/569490877.db2.gz VMDWRYLKAYZZOL-UHFFFAOYSA-N 0 0 436.533 5.167 50 0 IKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc1O2 ZINC000008961509 569491085 /nfs/dbraw/zinc/49/10/85/569491085.db2.gz QGBISNPJAXDVFQ-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc1O2 ZINC000008961481 569491111 /nfs/dbraw/zinc/49/11/11/569491111.db2.gz MVZYXRCQFWLIGK-UHFFFAOYSA-N 0 0 448.544 5.057 50 0 IKAARN CCOc1cc(-c2ccc(N(C)C)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000008964469 569491244 /nfs/dbraw/zinc/49/12/44/569491244.db2.gz WOASDWHJNRLKKV-URGPHPNLSA-N 0 0 440.587 7.031 50 0 biogenic IKAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965250 569491381 /nfs/dbraw/zinc/49/13/81/569491381.db2.gz FYQMXIHNKORRJM-OAQYLSRUSA-N 0 0 434.927 5.047 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Sc1ccc(Br)cn1 ZINC000040146478 569492250 /nfs/dbraw/zinc/49/22/50/569492250.db2.gz SVCIVVXBKZHRAD-UHFFFAOYSA-N 0 0 443.322 5.019 50 0 IKAARN Cc1ccnc(NC(=O)C2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)c1 ZINC000040149382 569492490 /nfs/dbraw/zinc/49/24/90/569492490.db2.gz XMGBHSBMPRXPKS-UHFFFAOYSA-N 0 0 447.539 5.056 50 0 IKAARN CCc1ccc(-c2nc(CN[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cs2)cc1 ZINC000040149541 569492598 /nfs/dbraw/zinc/49/25/98/569492598.db2.gz JOZFOVVGUMIXLB-XMMPIXPASA-N 0 0 427.573 5.842 50 0 IKAARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)c2ccccc2C)c1-c1nc2ccccc2[nH]1 ZINC000008973185 569492769 /nfs/dbraw/zinc/49/27/69/569492769.db2.gz VIRVWGRWVAGDNA-LJQANCHMSA-N 0 0 428.536 5.388 50 0 IKAARN COc1ccc(C2=C/C(=C3/N=C(c4ccc(Cl)cc4)OC3=O)c3ccccc3O2)cc1 ZINC000008972114 569492775 /nfs/dbraw/zinc/49/27/75/569492775.db2.gz HZKPUNLDMFNOND-ATJXCDBQSA-N 0 0 429.859 5.497 50 0 IKAARN COc1cccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@@H]2CCCO2)c1 ZINC000008973138 569492821 /nfs/dbraw/zinc/49/28/21/569492821.db2.gz SXYJKHDYDCTLEN-FQEVSTJZSA-N 0 0 444.535 5.088 50 0 IKAARN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccccc2F)o1 ZINC000008973823 569492869 /nfs/dbraw/zinc/49/28/69/569492869.db2.gz XTKQDQJWDZJGSO-UHFFFAOYSA-N 0 0 428.488 5.784 50 0 IKAARN CCCc1oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2c1C(=O)OCC ZINC000008974129 569492880 /nfs/dbraw/zinc/49/28/80/569492880.db2.gz YGZMLANEEHQWKT-UHFFFAOYSA-N 0 0 429.538 5.288 50 0 IKAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008974682 569492933 /nfs/dbraw/zinc/49/29/33/569492933.db2.gz PBJHZUJBHMNEJD-QHCPKHFHSA-N 0 0 442.490 5.370 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000040150030 569493125 /nfs/dbraw/zinc/49/31/25/569493125.db2.gz MGXPEBWNFURLRW-DHIUTWEWSA-N 0 0 446.555 5.389 50 0 IKAARN CC(C)n1nc(C(=O)N2CC[C@H](C)Sc3ccc(Cl)cc32)c2ccccc2c1=O ZINC000040150731 569493214 /nfs/dbraw/zinc/49/32/14/569493214.db2.gz POXPYNJEYWYXCL-AWEZNQCLSA-N 0 0 427.957 5.162 50 0 IKAARN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000040150949 569493224 /nfs/dbraw/zinc/49/32/24/569493224.db2.gz QYXURLBBJJSOBC-UHFFFAOYSA-N 0 0 449.795 5.122 50 0 IKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3C)c12 ZINC000040155218 569493918 /nfs/dbraw/zinc/49/39/18/569493918.db2.gz RJTABTWXYCBUHP-OAHLLOKOSA-N 0 0 440.478 5.578 50 0 IKAARN O=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)Nc1cccc(F)c1 ZINC000040155661 569493971 /nfs/dbraw/zinc/49/39/71/569493971.db2.gz DFSQEMVFOKHWFV-UHFFFAOYSA-N 0 0 431.389 5.147 50 0 IKAARN Cc1nc(C)c([C@@H](C)NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 ZINC000040157036 569494270 /nfs/dbraw/zinc/49/42/70/569494270.db2.gz STYPBZOJJKDCAT-CYBMUJFWSA-N 0 0 425.583 5.305 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 ZINC000040159128 569494661 /nfs/dbraw/zinc/49/46/61/569494661.db2.gz UTZVOWUVFPEZLH-SFHVURJKSA-N 0 0 446.576 5.577 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccc(OCc2ccccc2)cc1 ZINC000008986063 569494852 /nfs/dbraw/zinc/49/48/52/569494852.db2.gz BKNWBZBEQTWBCM-PIKZIKFNSA-N 0 0 434.539 6.593 50 0 IKAARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000008987782 569494906 /nfs/dbraw/zinc/49/49/06/569494906.db2.gz MWGXYWRSIGPNMJ-AREMUKBSSA-N 0 0 425.507 6.397 50 0 IKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000008987783 569494916 /nfs/dbraw/zinc/49/49/16/569494916.db2.gz MWGXYWRSIGPNMJ-SANMLTNESA-N 0 0 425.507 6.397 50 0 IKAARN CCSc1nnc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)s1 ZINC000008988278 569494935 /nfs/dbraw/zinc/49/49/35/569494935.db2.gz AYIIWRLICWCSHH-UHFFFAOYSA-N 0 0 435.578 5.123 50 0 IKAARN COc1ccc(-c2nc(COC(=O)c3cc(Cl)nc4ccccc43)cs2)cc1OC ZINC000040161613 569495199 /nfs/dbraw/zinc/49/51/99/569495199.db2.gz DOPZIQBRSCZRAL-UHFFFAOYSA-N 0 0 440.908 5.386 50 0 IKAARN C[C@H](C(=O)NCCc1nc(-c2ccccc2)no1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000008992239 569495290 /nfs/dbraw/zinc/49/52/90/569495290.db2.gz AZRHASKNKOCFPQ-HNNXBMFYSA-N 0 0 444.922 5.487 50 0 IKAARN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)c2ccco2)c1-c1nc2ccccc2[nH]1 ZINC000008992165 569495306 /nfs/dbraw/zinc/49/53/06/569495306.db2.gz QWWVHQXZAKFGNP-UHFFFAOYSA-N 0 0 428.467 5.681 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000009008324 569496179 /nfs/dbraw/zinc/49/61/79/569496179.db2.gz FXDJARUSHYGKCE-PXNSSMCTSA-N 0 0 429.701 5.938 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009008684 569496390 /nfs/dbraw/zinc/49/63/90/569496390.db2.gz JKTNYDSHFOEPRS-BDYUSTAISA-N 0 0 428.532 6.116 50 0 IKAARN CN(C(=O)c1ccccc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000009010682 569496429 /nfs/dbraw/zinc/49/64/29/569496429.db2.gz LDCCYJTVBRRRGO-UHFFFAOYSA-N 0 0 435.348 5.016 50 0 IKAARN Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 ZINC000009009813 569496438 /nfs/dbraw/zinc/49/64/38/569496438.db2.gz ZETYGLDEKNOUIO-UHFFFAOYSA-N 0 0 433.602 5.806 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccccc2)n1 ZINC000009015202 569496736 /nfs/dbraw/zinc/49/67/36/569496736.db2.gz DPMNEGULJGOWCD-CLOONOSVSA-N 0 0 439.515 5.824 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009019647 569496879 /nfs/dbraw/zinc/49/68/79/569496879.db2.gz AWRQZCOGPCRLAZ-SIKLNZKXSA-N 0 0 427.342 5.278 50 0 IKAARN CCCCCN1C(=O)N(c2ccccc2C)[C@H](N(O)C(=O)Nc2ccccc2C)C1(C)C ZINC000009019510 569496885 /nfs/dbraw/zinc/49/68/85/569496885.db2.gz MMCTVUKDVKRYIG-JOCHJYFZSA-N 0 0 438.572 5.764 50 0 IKAARN c1sc2nc(-c3ccccn3)nc(N3CCC(C4OCCO4)CC3)c2c1-c1ccccc1 ZINC000069198867 569496906 /nfs/dbraw/zinc/49/69/06/569496906.db2.gz PXVFKLDAGJIDPF-UHFFFAOYSA-N 0 0 444.560 5.010 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2SCc2cc(=O)n3c(C)csc3n2)cc1 ZINC000009022666 569497024 /nfs/dbraw/zinc/49/70/24/569497024.db2.gz FUAVINBCTPKSIE-UHFFFAOYSA-N 0 0 448.573 5.094 50 0 IKAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000009030649 569497112 /nfs/dbraw/zinc/49/71/12/569497112.db2.gz RTUGQFVVHUILCT-UHFFFAOYSA-N 0 0 445.968 5.795 50 0 IKAARN Cc1c(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000009034074 569497199 /nfs/dbraw/zinc/49/71/99/569497199.db2.gz QJSDVBGJQPVGGA-FQEVSTJZSA-N 0 0 449.503 5.073 50 0 biogenic IKAARN O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000009035532 569497276 /nfs/dbraw/zinc/49/72/76/569497276.db2.gz SMKNEWPCJXBHSH-NFBKMPQASA-N 0 0 433.305 5.202 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000009036867 569497328 /nfs/dbraw/zinc/49/73/28/569497328.db2.gz NFVDIFNIIGAHON-UHFFFAOYSA-N 0 0 442.540 5.117 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000009041168 569497571 /nfs/dbraw/zinc/49/75/71/569497571.db2.gz BYDOMPHLXADNNG-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C ZINC000009041234 569497572 /nfs/dbraw/zinc/49/75/72/569497572.db2.gz YSRJNBIZEHMUJG-WIOPSUGQSA-N 0 0 429.907 5.021 50 0 IKAARN CC(C)Oc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000009041980 569497714 /nfs/dbraw/zinc/49/77/14/569497714.db2.gz NIFJYAHTPLYRHT-WNJJXGMVSA-N 0 0 434.539 6.869 50 0 IKAARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000245180711 569498031 /nfs/dbraw/zinc/49/80/31/569498031.db2.gz ZHLOYAOXXLAFJO-AREMUKBSSA-N 0 0 434.511 5.230 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000009045177 569498089 /nfs/dbraw/zinc/49/80/89/569498089.db2.gz DXUDXOSBBKSSCI-AHKZPQOWSA-N 0 0 430.523 6.637 50 0 IKAARN Cc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000009046598 569498401 /nfs/dbraw/zinc/49/84/01/569498401.db2.gz CEHHIJXBWACYMT-BFFNPARHSA-N 0 0 445.360 6.149 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(ncn(CCCc4ccccc4)c3=O)c21 ZINC000009047669 569498519 /nfs/dbraw/zinc/49/85/19/569498519.db2.gz OKEGSOYEPPHTIZ-UHFFFAOYSA-N 0 0 446.963 5.663 50 0 IKAARN CCc1cccc2c(C(=O)CSc3nnc([C@@H](C)Oc4ccccc4F)o3)c[nH]c21 ZINC000009050437 569498628 /nfs/dbraw/zinc/49/86/28/569498628.db2.gz KVWUDJCCLRPADF-CYBMUJFWSA-N 0 0 425.485 5.367 50 0 IKAARN Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)NC(C)C)cc2)c1 ZINC000009052283 569498750 /nfs/dbraw/zinc/49/87/50/569498750.db2.gz GFQNHVRXUCXAST-UHFFFAOYSA-N 0 0 434.561 5.656 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000009054139 569498839 /nfs/dbraw/zinc/49/88/39/569498839.db2.gz MTZKOBDCISCBKC-MBSDFSHPSA-N 0 0 443.503 5.084 50 0 IKAARN O=C(CN(Cc1ccco1)C(=O)c1ccco1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000009056955 569499170 /nfs/dbraw/zinc/49/91/70/569499170.db2.gz QFFIJWQYRIXZPE-UHFFFAOYSA-N 0 0 427.671 5.114 50 0 IKAARN C[C@@H]1CC[C@H](C)CN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000009059410 569499358 /nfs/dbraw/zinc/49/93/58/569499358.db2.gz NFBZLNYJLUCADR-UONOGXRCSA-N 0 0 435.515 5.000 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000245228510 569499784 /nfs/dbraw/zinc/49/97/84/569499784.db2.gz DVIQAZNVAIOWAT-VWZVQSRXSA-N 0 0 436.621 5.666 50 0 IKAARN COc1ccc(CCn2c(-c3ccc(C)cc3)cs/c2=N\c2ccccc2)cc1OC ZINC000009067045 569499913 /nfs/dbraw/zinc/49/99/13/569499913.db2.gz FHTULVLKVYENCC-RQZHXJHFSA-N 0 0 430.573 6.017 50 0 IKAARN COCCn1c2ccccc2nc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000009073960 569500176 /nfs/dbraw/zinc/50/01/76/569500176.db2.gz BDIAXFYNADBAFZ-UHFFFAOYSA-N 0 0 444.771 5.374 50 0 IKAARN CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009071754 569500202 /nfs/dbraw/zinc/50/02/02/569500202.db2.gz GDUVBZUESPBXJI-UHFFFAOYSA-N 0 0 429.545 5.485 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3cc(C)ccc3C)c(=O)[nH]c2c1 ZINC000009076249 569500271 /nfs/dbraw/zinc/50/02/71/569500271.db2.gz MUXUHXCXHIGVMA-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN CSc1nc2sc3c(c2c(SCC(=O)c2ccc(F)cc2)n1)CC(C)(C)OC3 ZINC000009076183 569500280 /nfs/dbraw/zinc/50/02/80/569500280.db2.gz ZVQYDFWSHMHXQL-UHFFFAOYSA-N 0 0 434.583 5.379 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000245231873 569500412 /nfs/dbraw/zinc/50/04/12/569500412.db2.gz LNTSHRPDUYJBSW-RAIGVLPGSA-N 0 0 433.565 5.944 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000245237251 569500470 /nfs/dbraw/zinc/50/04/70/569500470.db2.gz GZYVZMWMBUTUMQ-DZASIIFFSA-N 0 0 431.356 5.308 50 0 IKAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1cccc2ccccc21 ZINC000009086109 569500610 /nfs/dbraw/zinc/50/06/10/569500610.db2.gz PXDUQNKWVKYHPY-UHFFFAOYSA-N 0 0 441.556 6.509 50 0 IKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccc3ncccc3c2)N1 ZINC000009087026 569500738 /nfs/dbraw/zinc/50/07/38/569500738.db2.gz WLALADCLIHXRQS-XMMPIXPASA-N 0 0 434.524 5.767 50 0 IKAARN CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC ZINC000009087126 569500781 /nfs/dbraw/zinc/50/07/81/569500781.db2.gz KBGIJNJVHXVDOI-XNWPQPEVSA-N 0 0 434.580 5.291 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCC4)cc1 ZINC000009087307 569500854 /nfs/dbraw/zinc/50/08/54/569500854.db2.gz TTZPYKRWQOMTEN-UHFFFAOYSA-N 0 0 429.545 5.604 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000009087765 569500857 /nfs/dbraw/zinc/50/08/57/569500857.db2.gz LPJQVZLAGODLRX-IQMFZBJNSA-N 0 0 431.517 5.577 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3ccccc3)cc3cc(NC(=O)C(C)C)ccc32)c1 ZINC000040387016 569500933 /nfs/dbraw/zinc/50/09/33/569500933.db2.gz MSRCLUIIIKJOGI-UHFFFAOYSA-N 0 0 439.559 5.523 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000040388866 569500990 /nfs/dbraw/zinc/50/09/90/569500990.db2.gz FVGJUIIRFZEFMN-OAQYLSRUSA-N 0 0 448.460 5.557 50 0 IKAARN O=C(c1ccco1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000040388840 569501011 /nfs/dbraw/zinc/50/10/11/569501011.db2.gz FDMKPDANHALDBS-MRXNPFEDSA-N 0 0 447.293 5.561 50 0 IKAARN Nc1c(C(=O)Nc2nccs2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCCC3 ZINC000009089955 569501017 /nfs/dbraw/zinc/50/10/17/569501017.db2.gz RUQSXAXZAVECQC-UHFFFAOYSA-N 0 0 440.981 5.787 50 0 IKAARN Brc1ccc(OCc2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000009090618 569501079 /nfs/dbraw/zinc/50/10/79/569501079.db2.gz SANZEHXUBOHBIF-UHFFFAOYSA-N 0 0 445.320 5.757 50 0 IKAARN COc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc32)cc1 ZINC000009095201 569501321 /nfs/dbraw/zinc/50/13/21/569501321.db2.gz COWMYABBVGPCET-AREMUKBSSA-N 0 0 439.515 5.059 50 0 IKAARN COc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc32)cc1 ZINC000009095200 569501344 /nfs/dbraw/zinc/50/13/44/569501344.db2.gz COWMYABBVGPCET-SANMLTNESA-N 0 0 439.515 5.059 50 0 IKAARN C[C@H](Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1)c1ccccc1 ZINC000009095479 569501366 /nfs/dbraw/zinc/50/13/66/569501366.db2.gz XQRKIXGAVKNEFA-QGZVFWFLSA-N 0 0 442.544 5.389 50 0 IKAARN C[C@@H](Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1)c1ccccc1 ZINC000009095478 569501417 /nfs/dbraw/zinc/50/14/17/569501417.db2.gz XQRKIXGAVKNEFA-KRWDZBQOSA-N 0 0 442.544 5.389 50 0 IKAARN CCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc21 ZINC000009096579 569501436 /nfs/dbraw/zinc/50/14/36/569501436.db2.gz HJSPTTZFEPBIHM-HFJWLAOPSA-N 0 0 431.580 5.117 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009100697 569501496 /nfs/dbraw/zinc/50/14/96/569501496.db2.gz DCFOFKXUIMGUQG-UHFFFAOYSA-N 0 0 427.504 5.080 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N[C@H]4CCCc5ccccc54)C3)sc2c1 ZINC000245257888 569501554 /nfs/dbraw/zinc/50/15/54/569501554.db2.gz GLMLFHQCUCNPOC-RXVVDRJESA-N 0 0 435.593 5.105 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)[C@H]1C ZINC000245257921 569501661 /nfs/dbraw/zinc/50/16/61/569501661.db2.gz ICFPYXAOCMIPGD-JKIFEVAISA-N 0 0 443.410 6.280 50 0 IKAARN CC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)nn(-c3ccc(F)cc3)c2OC(C)=O)cc1 ZINC000040403866 569501697 /nfs/dbraw/zinc/50/16/97/569501697.db2.gz DCRDUUYTXZSGGI-UHFFFAOYSA-N 0 0 447.441 5.368 50 0 IKAARN Cc1ccccc1NC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 ZINC000009101138 569501713 /nfs/dbraw/zinc/50/17/13/569501713.db2.gz ZPDSRRFVAHETQG-UHFFFAOYSA-N 0 0 433.458 5.349 50 0 IKAARN COc1cccc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)c1 ZINC000009101804 569501780 /nfs/dbraw/zinc/50/17/80/569501780.db2.gz HCBRCLCLUCATQU-UHFFFAOYSA-N 0 0 449.457 5.050 50 0 IKAARN COc1ccccc1NC(=O)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101797 569501805 /nfs/dbraw/zinc/50/18/05/569501805.db2.gz OVYLEXJCDNUTAF-UHFFFAOYSA-N 0 0 449.457 5.050 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)N1CCCC1 ZINC000009111710 569502338 /nfs/dbraw/zinc/50/23/38/569502338.db2.gz RKZNVTJMQFCHRH-OAHLLOKOSA-N 0 0 426.567 5.177 50 0 IKAARN CC1=C(c2ccccc2)[C@@H]2N3N(CC2(C)C)[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@]13C ZINC000245297662 569502431 /nfs/dbraw/zinc/50/24/31/569502431.db2.gz WGANOYMMECCSOW-NFAPWKBDSA-N 0 0 448.610 6.268 50 0 IKAARN CC(=O)Oc1cc2c(cc1Br)[C@@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@@H]1CC2 ZINC000245297265 569502446 /nfs/dbraw/zinc/50/24/46/569502446.db2.gz SJEALCGIPRMQHF-SCLAEEFJSA-N 0 0 435.358 5.162 50 0 biogenic IKAARN CC(=O)Oc1cc2c(cc1Br)[C@@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@H]1CC2 ZINC000245297263 569502465 /nfs/dbraw/zinc/50/24/65/569502465.db2.gz SJEALCGIPRMQHF-CVPGBNADSA-N 0 0 435.358 5.162 50 0 biogenic IKAARN CC(=O)[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)c1ccccc1 ZINC000009113180 569502490 /nfs/dbraw/zinc/50/24/90/569502490.db2.gz ITMCVGFEMSTYNQ-LJQANCHMSA-N 0 0 434.392 6.330 50 0 IKAARN CC(=O)[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)c1ccccc1 ZINC000009113182 569502530 /nfs/dbraw/zinc/50/25/30/569502530.db2.gz ITMCVGFEMSTYNQ-IBGZPJMESA-N 0 0 434.392 6.330 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(F)cc3)c2C(=O)[O-])c1 ZINC000009114853 569502628 /nfs/dbraw/zinc/50/26/28/569502628.db2.gz BTEQDRAIQVGJDW-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000009114852 569502638 /nfs/dbraw/zinc/50/26/38/569502638.db2.gz JBNVUZYMVAUUDE-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)N[C@@H]2CCCc3ccccc32)SCCO1 ZINC000009115183 569502683 /nfs/dbraw/zinc/50/26/83/569502683.db2.gz WJKCLUQKMASQQU-LJQANCHMSA-N 0 0 442.968 5.081 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)N[C@H]2CCCc3ccccc32)SCCO1 ZINC000009115184 569502712 /nfs/dbraw/zinc/50/27/12/569502712.db2.gz WJKCLUQKMASQQU-IBGZPJMESA-N 0 0 442.968 5.081 50 0 IKAARN O=C(c1ccc(C[S@](=O)c2ccccc2Cl)o1)N1CCC(Cc2ccccc2)CC1 ZINC000009115520 569502738 /nfs/dbraw/zinc/50/27/38/569502738.db2.gz HAIZWIQWQANUDH-SSEXGKCCSA-N 0 0 441.980 5.336 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2cccc(OCc3ccc(F)cc3F)c2)n1 ZINC000040425067 569502853 /nfs/dbraw/zinc/50/28/53/569502853.db2.gz COMJVOXDBRRJDP-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2OC)CCCC4)c1 ZINC000009115981 569502854 /nfs/dbraw/zinc/50/28/54/569502854.db2.gz IPOHDUWZJITTIG-DEOSSOPVSA-N 0 0 448.588 5.824 50 0 IKAARN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)N[C@H]1CCCc2ccccc21 ZINC000009116035 569502856 /nfs/dbraw/zinc/50/28/56/569502856.db2.gz WKQGVNQHPMLFFM-SANMLTNESA-N 0 0 442.990 6.469 50 0 IKAARN CSc1ccc(CCNC(=O)CCc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000009116099 569502861 /nfs/dbraw/zinc/50/28/61/569502861.db2.gz VESHFWPGCQEDMO-UHFFFAOYSA-N 0 0 442.628 6.011 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc(C[S@@](=O)Cc3cccc(Cl)c3)o2)cc1 ZINC000009115893 569502881 /nfs/dbraw/zinc/50/28/81/569502881.db2.gz KWIDHKBORZMFMP-GDLZYMKVSA-N 0 0 448.009 5.076 50 0 IKAARN Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3ccc(F)cc3)c1C2 ZINC000009116356 569502920 /nfs/dbraw/zinc/50/29/20/569502920.db2.gz ONUKFYSUSGOPDZ-UHFFFAOYSA-N 0 0 445.519 5.467 50 0 IKAARN Cc1ccccc1Cn1cc(CCC(=O)NCCc2ccc(Cl)cc2)c2ccccc21 ZINC000009116121 569502921 /nfs/dbraw/zinc/50/29/21/569502921.db2.gz QXVHUYBMSXHRLA-UHFFFAOYSA-N 0 0 430.979 5.943 50 0 IKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)N[C@H]3CCCc4ccccc43)c3ccccc32)c1 ZINC000009116134 569502923 /nfs/dbraw/zinc/50/29/23/569502923.db2.gz ZRHZIRMGCSYOAT-NDEPHWFRSA-N 0 0 436.599 6.433 50 0 IKAARN Cc1ccccc1-c1nc2c(c(SCc3ccccc3)n1)Cc1c(CO)cnc(C)c1O2 ZINC000009116394 569502934 /nfs/dbraw/zinc/50/29/34/569502934.db2.gz GEIVNTKOQAGTQR-UHFFFAOYSA-N 0 0 441.556 5.637 50 0 IKAARN Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SCc3ccccc3)c1C2 ZINC000009116274 569502944 /nfs/dbraw/zinc/50/29/44/569502944.db2.gz IDBCQGIMXDWUKI-UHFFFAOYSA-N 0 0 445.519 5.467 50 0 IKAARN Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3F)c1C2 ZINC000009116430 569502950 /nfs/dbraw/zinc/50/29/50/569502950.db2.gz VSUOPTJYQVPVIO-UHFFFAOYSA-N 0 0 445.519 5.467 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2ccc(C)cc2C)nn1 ZINC000009116616 569502977 /nfs/dbraw/zinc/50/29/77/569502977.db2.gz HPFJHMSFQNLQQP-UHFFFAOYSA-N 0 0 446.601 5.923 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000009117178 569503091 /nfs/dbraw/zinc/50/30/91/569503091.db2.gz SDNLAUFYAKEVAB-UHFFFAOYSA-N 0 0 427.907 5.638 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)Nc5cc(C)cc(C)c5)C4)sc3n2)cc1 ZINC000009117519 569503167 /nfs/dbraw/zinc/50/31/67/569503167.db2.gz XWYNYYPHEOYZBH-HXUWFJFHSA-N 0 0 445.592 5.238 50 0 IKAARN Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)c(C)c1 ZINC000009118407 569503304 /nfs/dbraw/zinc/50/33/04/569503304.db2.gz XRJKFLQSMAVPQK-UHFFFAOYSA-N 0 0 449.620 5.392 50 0 IKAARN Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c(C)c1 ZINC000009118472 569503371 /nfs/dbraw/zinc/50/33/71/569503371.db2.gz XBHCSOIBJRPGKM-UHFFFAOYSA-N 0 0 449.620 5.247 50 0 IKAARN O=C(COc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000009119515 569503514 /nfs/dbraw/zinc/50/35/14/569503514.db2.gz VJSSOPMSMHFOKP-UHFFFAOYSA-N 0 0 428.444 5.342 50 0 IKAARN CCOCc1c2ccccc2oc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000009119788 569503627 /nfs/dbraw/zinc/50/36/27/569503627.db2.gz KVXVXKLARZIEGG-UHFFFAOYSA-N 0 0 443.525 5.505 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1 ZINC000009120116 569503793 /nfs/dbraw/zinc/50/37/93/569503793.db2.gz XJKJZACDZDIFDT-UHFFFAOYSA-N 0 0 429.545 5.366 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c(C)n1C[C@H]1CCCO1 ZINC000009120314 569503852 /nfs/dbraw/zinc/50/38/52/569503852.db2.gz UCFXZLDTPOFDSI-GOSISDBHSA-N 0 0 442.610 5.162 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@H]1C ZINC000245330049 569504030 /nfs/dbraw/zinc/50/40/30/569504030.db2.gz WTORVMOEBBVFOU-QZTJIDSGSA-N 0 0 430.980 5.176 50 0 IKAARN CCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000009121149 569504149 /nfs/dbraw/zinc/50/41/49/569504149.db2.gz VZHLDLTXCJENIH-UHFFFAOYSA-N 0 0 441.890 5.181 50 0 IKAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)N(Cc2cccnc2)C3=O)c1 ZINC000009124719 569504402 /nfs/dbraw/zinc/50/44/02/569504402.db2.gz LCRPGYWIIZSDOE-QHCPKHFHSA-N 0 0 444.922 5.193 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1cc(-c2ccccc2O)[nH]n1 ZINC000009124712 569504413 /nfs/dbraw/zinc/50/44/13/569504413.db2.gz PWFTZOXREBLBJW-UHFFFAOYSA-N 0 0 441.418 5.151 50 0 IKAARN CN1C(=S)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000009124721 569504417 /nfs/dbraw/zinc/50/44/17/569504417.db2.gz AWZPWJQLNRBYOS-MRXNPFEDSA-N 0 0 439.368 5.058 50 0 IKAARN O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)Nc1cc(F)ccc1F ZINC000009125082 569504574 /nfs/dbraw/zinc/50/45/74/569504574.db2.gz VGGHBACBRBRNKQ-UHFFFAOYSA-N 0 0 429.926 5.326 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)N(C3=N[C@H](C)CS3)c3ccc(Cl)cc3)o2)cc1 ZINC000009125588 569504684 /nfs/dbraw/zinc/50/46/84/569504684.db2.gz DUDGQNKMCPBVKU-CQSZACIVSA-N 0 0 438.936 5.941 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 ZINC000009125583 569504695 /nfs/dbraw/zinc/50/46/95/569504695.db2.gz AAIFWFFSBJJYMC-HNNXBMFYSA-N 0 0 438.984 5.340 50 0 IKAARN C[C@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000009125828 569504745 /nfs/dbraw/zinc/50/47/45/569504745.db2.gz NRIDSHPKZKLLDN-LBPRGKRZSA-N 0 0 429.303 5.214 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc4cc(Cl)cnc4[nH]3)cs2)cc1OC ZINC000009126371 569504939 /nfs/dbraw/zinc/50/49/39/569504939.db2.gz CZZUFJSTYYKHFH-UHFFFAOYSA-N 0 0 432.958 5.434 50 0 IKAARN Cc1ccc(-n2c(SCc3nnsc3Cl)nnc2-c2ccc(Cl)cc2)cc1 ZINC000009127248 569505183 /nfs/dbraw/zinc/50/51/83/569505183.db2.gz PRWFUXSHILOLOR-UHFFFAOYSA-N 0 0 434.377 5.693 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COc2ncnc3ccc(Br)cc32)c1Cl ZINC000009128628 569505434 /nfs/dbraw/zinc/50/54/34/569505434.db2.gz DPBVRLSWBAFJCU-UHFFFAOYSA-N 0 0 441.112 5.025 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2cc3c(cc2[C@H]1C)OCCCO3 ZINC000009128784 569505475 /nfs/dbraw/zinc/50/54/75/569505475.db2.gz NPPGSPFNOVZZNR-KGLIPLIRSA-N 0 0 436.335 5.068 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3 ZINC000009128782 569505500 /nfs/dbraw/zinc/50/55/00/569505500.db2.gz NPPGSPFNOVZZNR-UONOGXRCSA-N 0 0 436.335 5.068 50 0 IKAARN Cc1ccc(CN2CCN(Cc3ccccc3F)[C@H]2c2c(Cl)cccc2Cl)cc1 ZINC000245380636 569505538 /nfs/dbraw/zinc/50/55/38/569505538.db2.gz DURGIYVNOYZOPI-DEOSSOPVSA-N 0 0 429.366 6.458 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc(-c3cccs3)nc3ccccc31)CC2 ZINC000009128936 569505593 /nfs/dbraw/zinc/50/55/93/569505593.db2.gz IQHUQVUSEBQVBF-MRXNPFEDSA-N 0 0 444.556 5.740 50 0 IKAARN Cc1[nH]nc(-c2ccc(OCc3ccccc3)cc2O)c1-c1ccc(Br)cc1 ZINC000009129204 569505619 /nfs/dbraw/zinc/50/56/19/569505619.db2.gz DWFSZOFUGGSCDV-UHFFFAOYSA-N 0 0 435.321 6.099 50 0 IKAARN Cc1cc2oc(=O)cc(CSc3nnc(-c4ccco4)n3CC(C)C)c2cc1Cl ZINC000009129281 569505696 /nfs/dbraw/zinc/50/56/96/569505696.db2.gz BAWADBBFUCNPOW-UHFFFAOYSA-N 0 0 429.929 5.555 50 0 IKAARN Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccccc3Cl)oc12 ZINC000009129647 569505762 /nfs/dbraw/zinc/50/57/62/569505762.db2.gz YKZAGTAALJEIDK-UHFFFAOYSA-N 0 0 433.847 5.403 50 0 IKAARN C/C(=C\c1ccccc1)[C@]1(C(=O)Nc2c(C)cccc2C)CC(=O)N1c1ccc(C)cc1C ZINC000009129677 569505777 /nfs/dbraw/zinc/50/57/77/569505777.db2.gz CILWHKZGNONVLU-HXDOWBTDSA-N 0 0 438.571 6.138 50 0 IKAARN Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccc(Br)cc3)oc12 ZINC000009129589 569505798 /nfs/dbraw/zinc/50/57/98/569505798.db2.gz NQDSUERZMJAYQJ-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3Oc3cccc(OC)c3)c(O)c2)cc1 ZINC000009129643 569505812 /nfs/dbraw/zinc/50/58/12/569505812.db2.gz AYFXKIFFJBJLLG-UHFFFAOYSA-N 0 0 428.488 6.114 50 0 IKAARN Oc1cc(OCc2ccccc2F)ccc1-c1onc(C(F)(F)F)c1-c1ccccc1 ZINC000009129628 569505814 /nfs/dbraw/zinc/50/58/14/569505814.db2.gz HOCQVSDWJNRQOS-UHFFFAOYSA-N 0 0 429.369 6.451 50 0 IKAARN COc1ccc(-c2nonc2NC(=O)c2sc3cc(C)ccc3c2Cl)cc1OC ZINC000009129809 569505832 /nfs/dbraw/zinc/50/58/32/569505832.db2.gz UMDSHHRTFQTUIB-UHFFFAOYSA-N 0 0 429.885 5.183 50 0 IKAARN Oc1cc(OCc2ccccc2F)ccc1-c1ncnc(C(F)(F)F)c1-c1ccccc1 ZINC000009129758 569505837 /nfs/dbraw/zinc/50/58/37/569505837.db2.gz ACNMNZQUJQKKRF-UHFFFAOYSA-N 0 0 440.396 6.253 50 0 IKAARN Cc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000009129735 569505845 /nfs/dbraw/zinc/50/58/45/569505845.db2.gz IGLAXMPPOQFMPU-GMAHTHKFSA-N 0 0 443.761 7.198 50 0 IKAARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)c2ccccc2F)c1-c1nc2ccccc2[nH]1 ZINC000009130229 569505955 /nfs/dbraw/zinc/50/59/55/569505955.db2.gz SHKPPZKHFLFZEG-QGZVFWFLSA-N 0 0 432.499 5.219 50 0 IKAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 ZINC000009130173 569506006 /nfs/dbraw/zinc/50/60/06/569506006.db2.gz QFIVQJODABSYHT-UHFFFAOYSA-N 0 0 433.895 5.339 50 0 IKAARN COc1cc(-c2c/c(=N\c3ccc(NC(C)=O)cc3)c3ccccc3o2)cc(OC)c1OC ZINC000009130535 569506054 /nfs/dbraw/zinc/50/60/54/569506054.db2.gz OFWHKUVHAJTSSN-SGWCAAJKSA-N 0 0 444.487 5.316 50 0 IKAARN COc1ccc(C2=NN(C(=O)CNc3cccc4ccccc43)[C@@H](c3ccco3)C2)cc1 ZINC000009130820 569506177 /nfs/dbraw/zinc/50/61/77/569506177.db2.gz YUJFUJHGILTIKF-XMMPIXPASA-N 0 0 425.488 5.231 50 0 IKAARN CCc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000040451089 569506404 /nfs/dbraw/zinc/50/64/04/569506404.db2.gz XGPHRGUCONBASL-AREMUKBSSA-N 0 0 430.573 5.375 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000040451081 569506425 /nfs/dbraw/zinc/50/64/25/569506425.db2.gz BAFALIQCFFWEIM-SANMLTNESA-N 0 0 430.573 5.430 50 0 IKAARN CCOc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000040451096 569506450 /nfs/dbraw/zinc/50/64/50/569506450.db2.gz VWFLOZNASGOBCL-SANMLTNESA-N 0 0 446.572 5.211 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cccs2)cc1 ZINC000040451114 569506460 /nfs/dbraw/zinc/50/64/60/569506460.db2.gz HYYFIGIUAMDFPZ-JOCHJYFZSA-N 0 0 440.615 5.288 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040485374 569506845 /nfs/dbraw/zinc/50/68/45/569506845.db2.gz AUKSSJMULIYYMJ-HSZRJFAPSA-N 0 0 435.907 5.410 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000040487528 569506869 /nfs/dbraw/zinc/50/68/69/569506869.db2.gz XGQUTMJLDSGZSQ-NZQKXSOJSA-N 0 0 435.321 5.700 50 0 IKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(SC)cc2)cc1 ZINC000040485722 569506882 /nfs/dbraw/zinc/50/68/82/569506882.db2.gz BVOJNVJVONKHQR-VWLOTQADSA-N 0 0 429.585 6.332 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000040487529 569506902 /nfs/dbraw/zinc/50/69/02/569506902.db2.gz XGQUTMJLDSGZSQ-REWPJTCUSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000040485971 569506910 /nfs/dbraw/zinc/50/69/10/569506910.db2.gz RKOPATAWJSSRJR-HXUWFJFHSA-N 0 0 440.293 5.104 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2C1=O ZINC000009134628 569507015 /nfs/dbraw/zinc/50/70/15/569507015.db2.gz IPMUDTGHSQJIAP-UHFFFAOYSA-N 0 0 426.394 5.730 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1ccc(O)cc1)occ3C(C)(C)C ZINC000009134549 569507060 /nfs/dbraw/zinc/50/70/60/569507060.db2.gz IKVTUCILQWIZKT-UHFFFAOYSA-N 0 0 447.531 5.142 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000009136351 569507166 /nfs/dbraw/zinc/50/71/66/569507166.db2.gz JVMLTTYECUQPEL-BKUYFWCQSA-N 0 0 433.891 5.581 50 0 IKAARN CC(=O)Nc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000009140577 569507251 /nfs/dbraw/zinc/50/72/51/569507251.db2.gz WRUPIRMVRVZASE-UHFFFAOYSA-N 0 0 427.554 6.453 50 0 IKAARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1SCc1cn2ccsc2n1 ZINC000009141626 569507284 /nfs/dbraw/zinc/50/72/84/569507284.db2.gz NSVODKJISLAMKI-UHFFFAOYSA-N 0 0 438.965 5.349 50 0 IKAARN CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccccc1 ZINC000009144975 569507367 /nfs/dbraw/zinc/50/73/67/569507367.db2.gz FHQWKSGJCRTHJX-QFIPXVFZSA-N 0 0 430.508 5.157 50 0 IKAARN CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccccc1 ZINC000009144976 569507430 /nfs/dbraw/zinc/50/74/30/569507430.db2.gz FHQWKSGJCRTHJX-JOCHJYFZSA-N 0 0 430.508 5.157 50 0 IKAARN CCCCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151274 569507446 /nfs/dbraw/zinc/50/74/46/569507446.db2.gz FRBSQJOGXQKTJW-UHFFFAOYSA-N 0 0 430.577 5.302 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c(SCc3cccc(C)c3)nc3cccnc32)cc1 ZINC000009151332 569507451 /nfs/dbraw/zinc/50/74/51/569507451.db2.gz DMPPWMPVJNORJD-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000009151384 569507459 /nfs/dbraw/zinc/50/74/59/569507459.db2.gz XMDJSIQCGMKMLM-FQEVSTJZSA-N 0 0 438.503 5.592 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2c(SCc3ccccc3F)nc3cccnc32)c(C)c1 ZINC000009151436 569507522 /nfs/dbraw/zinc/50/75/22/569507522.db2.gz CBJGZMQRFMDLMS-UHFFFAOYSA-N 0 0 434.540 5.427 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000009152386 569507780 /nfs/dbraw/zinc/50/77/80/569507780.db2.gz QFCBHJZDCFNFBQ-UHFFFAOYSA-N 0 0 432.951 5.682 50 0 IKAARN Cc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])c1 ZINC000009152395 569507782 /nfs/dbraw/zinc/50/77/82/569507782.db2.gz GPXAXOTWULCDHD-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009152411 569507792 /nfs/dbraw/zinc/50/77/92/569507792.db2.gz IYSZDAOXZQWQPS-UHFFFAOYSA-N 0 0 430.573 5.708 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1c(SCc2ccc(C)cc2)nc2cccnc21 ZINC000009153282 569508063 /nfs/dbraw/zinc/50/80/63/569508063.db2.gz 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Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009158636 569508553 /nfs/dbraw/zinc/50/85/53/569508553.db2.gz DBYKDXLWCPTVHU-CVDCTZTESA-N 0 0 439.298 5.964 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000069591795 569508557 /nfs/dbraw/zinc/50/85/57/569508557.db2.gz DTQVMLCKBBBPAT-QFIPXVFZSA-N 0 0 428.557 6.096 50 0 IKAARN O=C(CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3)N1CCCC1 ZINC000009159422 569508567 /nfs/dbraw/zinc/50/85/67/569508567.db2.gz MNXZUJWGYLYWOY-UHFFFAOYSA-N 0 0 446.601 5.110 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccccc2F)cc1 ZINC000009159005 569508582 /nfs/dbraw/zinc/50/85/82/569508582.db2.gz ANJFDTKGXUJSQF-UHFFFAOYSA-N 0 0 446.522 5.851 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000009159258 569508615 /nfs/dbraw/zinc/50/86/15/569508615.db2.gz VIPGAIURSIAFSV-AZGAKELHSA-N 0 0 432.951 6.714 50 0 IKAARN Oc1cc(OCc2ccc(F)cc2Cl)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000009160182 569508632 /nfs/dbraw/zinc/50/86/32/569508632.db2.gz OSZLAWNRKFLKSE-UHFFFAOYSA-N 0 0 429.278 6.474 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)n1 ZINC000009159960 569508646 /nfs/dbraw/zinc/50/86/46/569508646.db2.gz PKJDPNPPVSJIMV-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1OC ZINC000009160125 569508677 /nfs/dbraw/zinc/50/86/77/569508677.db2.gz DRGWJIPMGOVBNW-UHFFFAOYSA-N 0 0 430.504 5.662 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)c1 ZINC000009161395 569508709 /nfs/dbraw/zinc/50/87/09/569508709.db2.gz NDSZDQRMCRSCKX-HXUWFJFHSA-N 0 0 437.282 5.553 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)n1 ZINC000009161206 569508720 /nfs/dbraw/zinc/50/87/20/569508720.db2.gz PKJDPNPPVSJIMV-FQEVSTJZSA-N 0 0 447.288 5.009 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3NCc3cccnc3)c2c2c1COC(C)(C)C2 ZINC000009161173 569508723 /nfs/dbraw/zinc/50/87/23/569508723.db2.gz UAKGCXNNXXWAGP-UHFFFAOYSA-N 0 0 433.581 5.296 50 0 IKAARN Fc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000009167773 569509127 /nfs/dbraw/zinc/50/91/27/569509127.db2.gz NDKVNSJUHRMKDC-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN c1csc(Cc2nnc(SCc3nc(-c4ccccc4)no3)n2C2CCCCC2)c1 ZINC000009168061 569509136 /nfs/dbraw/zinc/50/91/36/569509136.db2.gz PNLUZIRMKBJUAV-UHFFFAOYSA-N 0 0 437.594 5.778 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)ccc1OCC(C)C ZINC000009168795 569509198 /nfs/dbraw/zinc/50/91/98/569509198.db2.gz RQDLIQBJFDPZIR-UHFFFAOYSA-N 0 0 439.537 5.064 50 0 IKAARN CCCCNc1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)s1 ZINC000009175142 569509717 /nfs/dbraw/zinc/50/97/17/569509717.db2.gz LJSRLDZTKDDHAO-UHFFFAOYSA-N 0 0 426.611 5.071 50 0 IKAARN COc1cc(NC(C)=O)c([C@H](c2ccc(C)o2)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000009183575 569509852 /nfs/dbraw/zinc/50/98/52/569509852.db2.gz CIFPIGPOZORDLR-MUUNZHRXSA-N 0 0 441.527 6.411 50 0 IKAARN O=C1[C@@H]2CCC[C@H]1[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000009183471 569509898 /nfs/dbraw/zinc/50/98/98/569509898.db2.gz QVDGXRZENJEJRK-RDGPPVDQSA-N 0 0 449.186 5.583 50 0 IKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000009184053 569509947 /nfs/dbraw/zinc/50/99/47/569509947.db2.gz PMMAIZCTHHMVQD-UHFFFAOYSA-N 0 0 437.874 6.002 50 0 IKAARN COc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1 ZINC000009185009 569510012 /nfs/dbraw/zinc/51/00/12/569510012.db2.gz WVQZUNVGGCBPHJ-UHFFFAOYSA-N 0 0 441.516 5.285 50 0 IKAARN Cc1ccccc1-n1nnc2c(sc3nc(-c4ccccc4)cc(-c4ccco4)c32)c1=O ZINC000009185152 569510091 /nfs/dbraw/zinc/51/00/91/569510091.db2.gz BHADKOLKGAUNST-UHFFFAOYSA-N 0 0 436.496 5.626 50 0 IKAARN Cc1ccc(Cl)cc1-n1ncc2c3nnc(-c4ccc(Cl)c(Cl)c4)n3cnc21 ZINC000009185471 569510146 /nfs/dbraw/zinc/51/01/46/569510146.db2.gz QFNGWYQOGJMCQD-UHFFFAOYSA-N 0 0 429.698 5.399 50 0 IKAARN COc1cc(-c2c(NC(=O)c3ccccc3)sc3ccccc3c2=O)cc(OC)c1OC ZINC000009187046 569510248 /nfs/dbraw/zinc/51/02/48/569510248.db2.gz ZMFKPDQKRXRUQQ-UHFFFAOYSA-N 0 0 447.512 5.207 50 0 IKAARN COC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000009187783 569510431 /nfs/dbraw/zinc/51/04/31/569510431.db2.gz CYRNGPRPRCODOW-UHFFFAOYSA-N 0 0 430.460 5.249 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3n[nH]c(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1 ZINC000009187786 569510444 /nfs/dbraw/zinc/51/04/44/569510444.db2.gz YBUNLCDSUYZHSA-UHFFFAOYSA-N 0 0 436.433 6.690 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)C1CCCCC1 ZINC000009187828 569510461 /nfs/dbraw/zinc/51/04/61/569510461.db2.gz CANUVCAZERXOTL-UHFFFAOYSA-N 0 0 428.454 5.743 50 0 IKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Br)cc1 ZINC000009190289 569510575 /nfs/dbraw/zinc/51/05/75/569510575.db2.gz WVGWGCRGBCBDJU-UHFFFAOYSA-N 0 0 428.673 5.558 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)c1 ZINC000009191898 569510711 /nfs/dbraw/zinc/51/07/11/569510711.db2.gz MWJWQMZBPVTJGS-QFIPXVFZSA-N 0 0 430.891 5.516 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000009191946 569510735 /nfs/dbraw/zinc/51/07/35/569510735.db2.gz JEQQFEUEUJJGBJ-YADARESESA-N 0 0 434.879 5.320 50 0 IKAARN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000009192642 569510744 /nfs/dbraw/zinc/51/07/44/569510744.db2.gz HLTAGRALIQPYEK-UHFFFAOYSA-N 0 0 441.575 5.301 50 0 IKAARN COc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCc1ccccc1 ZINC000009194503 569510941 /nfs/dbraw/zinc/51/09/41/569510941.db2.gz RIUBXSWHGGXTDD-UHFFFAOYSA-N 0 0 430.273 5.428 50 0 IKAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1OCC ZINC000009195015 569510951 /nfs/dbraw/zinc/51/09/51/569510951.db2.gz IRGRPGQLUQJKON-INIZCTEOSA-N 0 0 439.512 5.063 50 0 IKAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(SCCCc3ccccc3)s2)c1 ZINC000009196890 569511019 /nfs/dbraw/zinc/51/10/19/569511019.db2.gz IWLJJNDANSGPIR-UHFFFAOYSA-N 0 0 440.594 5.110 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)CSc3nc(C)c(C)n3C3CCCC3)ccc2c1 ZINC000009198561 569511076 /nfs/dbraw/zinc/51/10/76/569511076.db2.gz AFWIRVCIKIDXMS-UHFFFAOYSA-N 0 0 437.609 5.528 50 0 IKAARN Cc1ccc2nc(CSc3nnc(COc4ccccc4Cl)n3C3CC3)cn2c1 ZINC000009198753 569511111 /nfs/dbraw/zinc/51/11/11/569511111.db2.gz GSJDSVYUUPQLSV-UHFFFAOYSA-N 0 0 425.945 5.094 50 0 IKAARN CCCC[C@@H](C(=O)Nc1ccc(Oc2ccccc2C)cc1)N1C(=O)c2ccccc2C1=O ZINC000009202232 569511239 /nfs/dbraw/zinc/51/12/39/569511239.db2.gz RASKOVJZYBOCMS-QHCPKHFHSA-N 0 0 442.515 5.581 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 ZINC000009209470 569511567 /nfs/dbraw/zinc/51/15/67/569511567.db2.gz CADDQPJTQQVEPJ-HSZRJFAPSA-N 0 0 445.902 5.243 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009210495 569511643 /nfs/dbraw/zinc/51/16/43/569511643.db2.gz LGCOCCIURRUJKD-JOCHJYFZSA-N 0 0 428.513 5.277 50 0 IKAARN COc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3Nc3cccc(Cl)c3C)cc2c1 ZINC000009210894 569511694 /nfs/dbraw/zinc/51/16/94/569511694.db2.gz SBGDDYCUVPUYQL-UHFFFAOYSA-N 0 0 430.895 5.557 50 0 IKAARN COc1ccc(C(=O)c2ccccc2)c(OC(=O)C2=Cc3sc(C)c(C)c3CS2)c1 ZINC000009211429 569511795 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CCOCCCNC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211820 569511907 /nfs/dbraw/zinc/51/19/07/569511907.db2.gz RTSQHCLYAGKTGQ-UHFFFAOYSA-N 0 0 447.604 5.644 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCCC3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000009212020 569511913 /nfs/dbraw/zinc/51/19/13/569511913.db2.gz WPNHIBJIELGKIK-HKBQPEDESA-N 0 0 436.577 5.410 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211898 569511924 /nfs/dbraw/zinc/51/19/24/569511924.db2.gz WURAMNJLEFVEHJ-UHFFFAOYSA-N 0 0 448.975 7.156 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)nc1CSc1ccccc1 ZINC000009211990 569511933 /nfs/dbraw/zinc/51/19/33/569511933.db2.gz PKIMQBQQIVZOPD-IEGUWTFLSA-N 0 0 434.605 6.497 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211946 569511936 /nfs/dbraw/zinc/51/19/36/569511936.db2.gz ITUIERUQBHREMH-UHFFFAOYSA-N 0 0 446.616 6.871 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000009211940 569511940 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CC(C)(C)C1CCC(Nc2ccccc2)(c2nnnn2-c2cccc(C(F)(F)F)c2)CC1 ZINC000009246806 569515425 /nfs/dbraw/zinc/51/54/25/569515425.db2.gz ILJBFABLJHCJRP-UHFFFAOYSA-N 0 0 443.517 6.225 50 0 IKAARN O=C1C2=C(CCCC2)[C@@H](SCc2ccc(Cl)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000009246280 569515449 /nfs/dbraw/zinc/51/54/49/569515449.db2.gz MIZWLDROEUIRBC-HSZRJFAPSA-N 0 0 427.953 5.541 50 0 IKAARN Cc1ccc(-n2ncc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)c2C(F)(F)F)cc1 ZINC000069738606 569515610 /nfs/dbraw/zinc/51/56/10/569515610.db2.gz FSLOIRWNNCAABB-UHFFFAOYSA-N 0 0 446.448 5.055 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000009250012 569515615 /nfs/dbraw/zinc/51/56/15/569515615.db2.gz QZPOTFYFNBKINK-UHFFFAOYSA-N 0 0 435.549 5.080 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000009250077 569515637 /nfs/dbraw/zinc/51/56/37/569515637.db2.gz WMKKSDHHLOQWPU-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009250046 569515641 /nfs/dbraw/zinc/51/56/41/569515641.db2.gz PFRRQMUDNGXIRV-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000009250144 569515649 /nfs/dbraw/zinc/51/56/49/569515649.db2.gz BKUIDWZRNDREPP-LJQANCHMSA-N 0 0 433.577 5.229 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccc(C)cc1 ZINC000009250053 569515651 /nfs/dbraw/zinc/51/56/51/569515651.db2.gz RMKYRXLEIWBORX-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2cccc(Cl)c2)n1 ZINC000009250085 569515655 /nfs/dbraw/zinc/51/56/55/569515655.db2.gz NWYMUNJIZJXYFP-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2cccc(Cl)c2)c1 ZINC000009250125 569515658 /nfs/dbraw/zinc/51/56/58/569515658.db2.gz JVJZJCHPUJBJCU-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2Cl)cc1 ZINC000009250047 569515663 /nfs/dbraw/zinc/51/56/63/569515663.db2.gz HKPQNEQPEUUOHS-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000009250143 569515672 /nfs/dbraw/zinc/51/56/72/569515672.db2.gz BKUIDWZRNDREPP-IBGZPJMESA-N 0 0 433.577 5.229 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(SCC(=O)c2ccc(F)cc2)n1 ZINC000009250061 569515673 /nfs/dbraw/zinc/51/56/73/569515673.db2.gz CVLUXQLKAHZZRV-UHFFFAOYSA-N 0 0 428.916 5.718 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC000009250600 569515696 /nfs/dbraw/zinc/51/56/96/569515696.db2.gz BWZLNHHDRCGCGU-UHFFFAOYSA-N 0 0 433.208 5.689 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(C)cc1 ZINC000009250195 569515712 /nfs/dbraw/zinc/51/57/12/569515712.db2.gz RMRXPCUIYJLPBH-UHFFFAOYSA-N 0 0 434.561 5.633 50 0 IKAARN Cc1ccccc1-c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccco1 ZINC000009250930 569515746 /nfs/dbraw/zinc/51/57/46/569515746.db2.gz ARNKTEZRQCKSPV-RTWAWAEBSA-N 0 0 430.552 5.725 50 0 biogenic IKAARN CCc1cccc(C)c1NC(=O)CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1=O ZINC000009251119 569515799 /nfs/dbraw/zinc/51/57/99/569515799.db2.gz KJMUSYJLKIZCPW-UHFFFAOYSA-N 0 0 445.950 5.034 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)c1 ZINC000009251345 569515806 /nfs/dbraw/zinc/51/58/06/569515806.db2.gz CEALPGDWPKZSDV-UHFFFAOYSA-N 0 0 431.488 5.864 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCCCCC1)c1cc(-c2cccs2)on1 ZINC000009251302 569515814 /nfs/dbraw/zinc/51/58/14/569515814.db2.gz JUNVVSRMNOAODH-UHFFFAOYSA-N 0 0 435.505 5.418 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCC(C)CC2)O4)c1 ZINC000009251360 569515831 /nfs/dbraw/zinc/51/58/31/569515831.db2.gz YGNWIOPLYNMURC-UHFFFAOYSA-N 0 0 433.504 5.916 50 0 biogenic IKAARN Cc1c(C(=O)NCCCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251337 569515833 /nfs/dbraw/zinc/51/58/33/569515833.db2.gz RLPZJPLXFDZNCQ-UHFFFAOYSA-N 0 0 431.532 5.772 50 0 biogenic IKAARN Cc1c(C(=O)NC[C@H](C)c2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251350 569515841 /nfs/dbraw/zinc/51/58/41/569515841.db2.gz QUALNDADVAVQAQ-KRWDZBQOSA-N 0 0 431.532 5.943 50 0 biogenic IKAARN COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251104 569515847 /nfs/dbraw/zinc/51/58/47/569515847.db2.gz XVMXPSFFOSRNCB-AWEZNQCLSA-N 0 0 429.973 5.962 50 0 IKAARN Cc1c(C(=O)NCCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251424 569515869 /nfs/dbraw/zinc/51/58/69/569515869.db2.gz ZMNJRYCLIOYCIP-UHFFFAOYSA-N 0 0 431.532 5.772 50 0 biogenic IKAARN Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251429 569515882 /nfs/dbraw/zinc/51/58/82/569515882.db2.gz FVYLIHKCAUWIOA-UHFFFAOYSA-N 0 0 435.495 5.869 50 0 biogenic IKAARN Cc1c(C(=O)NCCCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251416 569515889 /nfs/dbraw/zinc/51/58/89/569515889.db2.gz KDEPRHCFEXMYQL-UHFFFAOYSA-N 0 0 445.559 6.162 50 0 biogenic IKAARN Cc1c(C(=O)N[C@H](C)c2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251422 569515892 /nfs/dbraw/zinc/51/58/92/569515892.db2.gz WOJZSCKVZOZVKU-GOSISDBHSA-N 0 0 431.532 6.290 50 0 biogenic IKAARN CCCCN(C)C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000009251549 569515901 /nfs/dbraw/zinc/51/59/01/569515901.db2.gz WAKQVSLVSNHPSK-UHFFFAOYSA-N 0 0 445.588 6.262 50 0 IKAARN CCN1c2cc(NC(=O)Nc3c(C)cc(C)cc3C)ccc2Sc2ccccc2C1=O ZINC000009251530 569515912 /nfs/dbraw/zinc/51/59/12/569515912.db2.gz SJBGCGAUOAQBAF-UHFFFAOYSA-N 0 0 431.561 6.387 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 ZINC000009251515 569515915 /nfs/dbraw/zinc/51/59/15/569515915.db2.gz BXMMQVMBHWQABU-UHFFFAOYSA-N 0 0 447.516 5.249 50 0 IKAARN COCCCNC(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000009251580 569515947 /nfs/dbraw/zinc/51/59/47/569515947.db2.gz NCPBBQFGHVQGMX-UHFFFAOYSA-N 0 0 447.560 5.156 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1cccc(Br)c1)c2-n1cccc1 ZINC000009251916 569515950 /nfs/dbraw/zinc/51/59/50/569515950.db2.gz UHXZBJKPSGWYJB-UHFFFAOYSA-N 0 0 440.366 5.396 50 0 IKAARN Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)cccc1-c1nc2cccnc2s1 ZINC000009252155 569515956 /nfs/dbraw/zinc/51/59/56/569515956.db2.gz BXCWZZXXADFNLA-UHFFFAOYSA-N 0 0 449.579 6.827 50 0 IKAARN COc1ccc(Nc2nc(-c3ccc(F)cc3)c3c(n2)-c2ccccc2OC3)c(OC)c1 ZINC000009252051 569515976 /nfs/dbraw/zinc/51/59/76/569515976.db2.gz VOEKRJOZZASOGO-UHFFFAOYSA-N 0 0 429.451 5.603 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2Cc2csc(N(C(C)=O)c3ccccc3)n2)cc1 ZINC000009253110 569516114 /nfs/dbraw/zinc/51/61/14/569516114.db2.gz MUUZWNQWVPGVSJ-DEOSSOPVSA-N 0 0 435.593 5.954 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(F)cc1Cl ZINC000009254059 569516303 /nfs/dbraw/zinc/51/63/03/569516303.db2.gz QZIFSXLUUSCBDG-UHFFFAOYSA-N 0 0 442.697 5.022 50 0 IKAARN O=C(CSc1ccc2c(c1)OCCCO2)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009254787 569516432 /nfs/dbraw/zinc/51/64/32/569516432.db2.gz FFAHMASVTVOLPZ-JOCHJYFZSA-N 0 0 429.538 5.046 50 0 IKAARN CCc1ccc(NC(=O)CSCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000009255131 569516507 /nfs/dbraw/zinc/51/65/07/569516507.db2.gz MMMDDVQOCXSPHH-UHFFFAOYSA-N 0 0 434.561 5.382 50 0 IKAARN O=C(CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000009255798 569516652 /nfs/dbraw/zinc/51/66/52/569516652.db2.gz NLZSSSNDCCKFBC-DEOSSOPVSA-N 0 0 441.527 5.451 50 0 IKAARN C[C@@H]1C[C@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 ZINC000009255909 569516654 /nfs/dbraw/zinc/51/66/54/569516654.db2.gz LBNNTEYWLDZNQJ-PXAZEXFGSA-N 0 0 434.348 5.096 50 0 IKAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)s2)cc1 ZINC000009256049 569516716 /nfs/dbraw/zinc/51/67/16/569516716.db2.gz UXLBZUQWVOWDAO-KRWDZBQOSA-N 0 0 449.601 5.757 50 0 IKAARN O=c1nc(CSCCCOc2ccccc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000009256819 569516756 /nfs/dbraw/zinc/51/67/56/569516756.db2.gz UKFSJCVIRPPVIS-UHFFFAOYSA-N 0 0 426.538 5.493 50 0 IKAARN O=c1[nH]c(CSc2nnc(-c3ccco3)n2C2CCCCC2)nc2ccc(Cl)cc12 ZINC000009257802 569516856 /nfs/dbraw/zinc/51/68/56/569516856.db2.gz RYTTVOGDASSHGP-UHFFFAOYSA-N 0 0 441.944 5.226 50 0 IKAARN COc1ccc(-c2cnn3c2nc(-c2ccc(OC)c(OC)c2)cc3C(F)(F)F)cc1 ZINC000009261192 569516927 /nfs/dbraw/zinc/51/69/27/569516927.db2.gz NDWZNPSTDXAYSF-UHFFFAOYSA-N 0 0 429.398 5.108 50 0 IKAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009260684 569516941 /nfs/dbraw/zinc/51/69/41/569516941.db2.gz MLMHDZBKCZRBEA-HSZRJFAPSA-N 0 0 440.572 5.997 50 0 IKAARN Cc1ccc(NC(=O)c2cnn3c2N=C(c2ccc(C)cc2)C[C@H]3c2ccccc2F)cc1 ZINC000009264971 569517284 /nfs/dbraw/zinc/51/72/84/569517284.db2.gz FCVOFBONVKWYBP-VWLOTQADSA-N 0 0 438.506 5.947 50 0 IKAARN CCOC(=O)/C=C\COc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000009266330 569517390 /nfs/dbraw/zinc/51/73/90/569517390.db2.gz USAHGOZPWAGITK-PLNGDYQASA-N 0 0 443.293 5.029 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000009266438 569517458 /nfs/dbraw/zinc/51/74/58/569517458.db2.gz AXNHQEONXZPFSG-UHFFFAOYSA-N 0 0 432.955 5.226 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)cc(C(=O)NCc3ccc(Cl)cc3)c12 ZINC000009266681 569517459 /nfs/dbraw/zinc/51/74/59/569517459.db2.gz ICKRQIZHPCUUCR-UHFFFAOYSA-N 0 0 430.939 5.498 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000009266781 569517465 /nfs/dbraw/zinc/51/74/65/569517465.db2.gz XKBCXSQUOWDNCZ-UHFFFAOYSA-N 0 0 446.532 5.015 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000009266461 569517466 /nfs/dbraw/zinc/51/74/66/569517466.db2.gz FNLYWXWJJPMJDA-UHFFFAOYSA-N 0 0 442.563 5.317 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 ZINC000009266862 569517482 /nfs/dbraw/zinc/51/74/82/569517482.db2.gz HXOZIQZBEOMZHQ-UHFFFAOYSA-N 0 0 434.902 5.960 50 0 IKAARN O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000069778816 569517721 /nfs/dbraw/zinc/51/77/21/569517721.db2.gz IYXMMFFWTCJCIQ-GOSISDBHSA-N 0 0 429.914 5.151 50 0 IKAARN CCCCCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000009272226 569517884 /nfs/dbraw/zinc/51/78/84/569517884.db2.gz WJCCCXZROPMQOV-UHFFFAOYSA-N 0 0 443.638 6.067 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2C)cc1OC ZINC000009272291 569517941 /nfs/dbraw/zinc/51/79/41/569517941.db2.gz VOMYVBJASKGZBX-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)nc2c1C ZINC000009273505 569518118 /nfs/dbraw/zinc/51/81/18/569518118.db2.gz PTMBBJYBMJMNME-UHFFFAOYSA-N 0 0 430.558 5.765 50 0 IKAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(C(=O)[O-])c2C[NH2+]Cc1ccccc1Cl ZINC000009274892 569518267 /nfs/dbraw/zinc/51/82/67/569518267.db2.gz YIAAWYMGVLKQAX-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C[C@H](C)c3ccccc3)c2C(=O)[O-])cc1 ZINC000009274964 569518273 /nfs/dbraw/zinc/51/82/73/569518273.db2.gz HTAQKEIQVFXATM-FQEVSTJZSA-N 0 0 442.559 5.598 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C[C@@H](C)c3ccccc3)c2C(=O)[O-])cc1 ZINC000009274962 569518289 /nfs/dbraw/zinc/51/82/89/569518289.db2.gz HTAQKEIQVFXATM-HXUWFJFHSA-N 0 0 442.559 5.598 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000009274929 569518294 /nfs/dbraw/zinc/51/82/94/569518294.db2.gz XUHMIRQGSCWCEI-UHFFFAOYSA-N 0 0 430.523 5.688 50 0 IKAARN Cc1ccc2c(C[NH2+]C[C@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009274871 569518300 /nfs/dbraw/zinc/51/83/00/569518300.db2.gz NIXJFUZYZQHJAG-IBGZPJMESA-N 0 0 430.523 5.729 50 0 IKAARN Cc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274911 569518319 /nfs/dbraw/zinc/51/83/19/569518319.db2.gz SINWNBDYGYQKQW-LJQANCHMSA-N 0 0 430.523 5.729 50 0 IKAARN Cc1ccc2c(C[NH2+]CCc3ccccc3Cl)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000009274831 569518327 /nfs/dbraw/zinc/51/83/27/569518327.db2.gz JSWIVFQHIXBJEX-UHFFFAOYSA-N 0 0 446.978 5.990 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000009274941 569518337 /nfs/dbraw/zinc/51/83/37/569518337.db2.gz LKBOJJYFBNQJAE-UHFFFAOYSA-N 0 0 448.950 5.648 50 0 IKAARN Cc1ccc2c(C[NH2+]C3CCCCCC3)c(C(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c1 ZINC000009275035 569518353 /nfs/dbraw/zinc/51/83/53/569518353.db2.gz BGUGOIDYEWEFOZ-UHFFFAOYSA-N 0 0 442.962 6.301 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(Oc2ccccc2)c1 ZINC000009275181 569518397 /nfs/dbraw/zinc/51/83/97/569518397.db2.gz XDWISCLMWMWPAB-UHFFFAOYSA-N 0 0 436.265 5.544 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccccc2)c1 ZINC000009281101 569518539 /nfs/dbraw/zinc/51/85/39/569518539.db2.gz GKGUONZXUZEUJG-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN c1csc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)c1 ZINC000009281036 569518567 /nfs/dbraw/zinc/51/85/67/569518567.db2.gz LYKUJNBACUZJCG-NRFANRHFSA-N 0 0 432.508 6.292 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000009282649 569518658 /nfs/dbraw/zinc/51/86/58/569518658.db2.gz QUBICXTVLJINPU-FQEVSTJZSA-N 0 0 437.282 5.553 50 0 IKAARN CCCCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000009281939 569518661 /nfs/dbraw/zinc/51/86/61/569518661.db2.gz DIJAKIVNWXWWRC-UHFFFAOYSA-N 0 0 436.581 6.343 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000009282648 569518691 /nfs/dbraw/zinc/51/86/91/569518691.db2.gz QUBICXTVLJINPU-HXUWFJFHSA-N 0 0 437.282 5.553 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)c3nnc(-c4ccccc4)o3)cc12 ZINC000009283112 569518821 /nfs/dbraw/zinc/51/88/21/569518821.db2.gz CKUAYZPVHCEDOM-OAHLLOKOSA-N 0 0 430.489 5.363 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccnc1 ZINC000009283349 569518832 /nfs/dbraw/zinc/51/88/32/569518832.db2.gz MEUFPQJUKPZCFS-UHFFFAOYSA-N 0 0 443.576 5.492 50 0 IKAARN C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000009283335 569518833 /nfs/dbraw/zinc/51/88/33/569518833.db2.gz LSQYUANLXXIJGM-LLVKDONJSA-N 0 0 439.393 5.576 50 0 IKAARN COc1cccc(NC(=O)[C@H](OC(=O)c2c(Cl)cccc2Cl)c2ccccc2)c1 ZINC000009284619 569519087 /nfs/dbraw/zinc/51/90/87/569519087.db2.gz MVLLWWOPGCIVIS-HXUWFJFHSA-N 0 0 430.287 5.539 50 0 IKAARN CCc1ccc2c(CSc3nnc(Nc4ccc(OC)cc4)s3)cc(=O)oc2c1 ZINC000009285789 569519196 /nfs/dbraw/zinc/51/91/96/569519196.db2.gz JEAMOTHSWFYVHT-UHFFFAOYSA-N 0 0 425.535 5.251 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1cccc(Cl)c1)c2Sc1ccc(C)cc1 ZINC000009288420 569519360 /nfs/dbraw/zinc/51/93/60/569519360.db2.gz FPWDXVHRINAJLC-UHFFFAOYSA-N 0 0 436.964 6.220 50 0 IKAARN COc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccc(C)cc2)cc1 ZINC000009288433 569519370 /nfs/dbraw/zinc/51/93/70/569519370.db2.gz GNHMSAKXLXUJOC-UHFFFAOYSA-N 0 0 432.545 5.575 50 0 IKAARN CCOc1ccccc1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccccc1 ZINC000009288407 569519397 /nfs/dbraw/zinc/51/93/97/569519397.db2.gz RGTTVZJXMOCWAL-UHFFFAOYSA-N 0 0 432.545 5.656 50 0 IKAARN CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289277 569519514 /nfs/dbraw/zinc/51/95/14/569519514.db2.gz VDKUDQKNPRZPQN-JXFKEZNVSA-N 0 0 433.577 5.008 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289271 569519525 /nfs/dbraw/zinc/51/95/25/569519525.db2.gz UXOVTRNMFLPDLB-INIZCTEOSA-N 0 0 441.940 5.171 50 0 IKAARN COc1cc2ccccc2cc1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000009289110 569519537 /nfs/dbraw/zinc/51/95/37/569519537.db2.gz QRNFWMKKVDXEHI-UHFFFAOYSA-N 0 0 427.283 6.772 50 0 IKAARN Cc1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1Cl ZINC000009289596 569519590 /nfs/dbraw/zinc/51/95/90/569519590.db2.gz YZXTWPCTVCOMEE-UHFFFAOYSA-N 0 0 425.941 5.300 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289299 569519607 /nfs/dbraw/zinc/51/96/07/569519607.db2.gz ROAACCIFCSZQAV-MRXNPFEDSA-N 0 0 441.940 5.171 50 0 IKAARN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1)N1CCCC1 ZINC000009289552 569519612 /nfs/dbraw/zinc/51/96/12/569519612.db2.gz MWIFRWVVZXFJLL-HHHXNRCGSA-N 0 0 435.527 5.003 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)ccc21 ZINC000009290512 569519728 /nfs/dbraw/zinc/51/97/28/569519728.db2.gz JZDYBYPCCOINTP-UHFFFAOYSA-N 0 0 446.507 5.734 50 0 IKAARN CCC1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000009290710 569519736 /nfs/dbraw/zinc/51/97/36/569519736.db2.gz XUZQUSSXMMALQL-FCRSDJTPSA-N 0 0 425.370 6.289 50 0 IKAARN CCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccc(C)cc1 ZINC000009291748 569519888 /nfs/dbraw/zinc/51/98/88/569519888.db2.gz DJBOPFGXNGHRJX-VHXPQNKSSA-N 0 0 443.638 5.198 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)c1 ZINC000009291528 569519904 /nfs/dbraw/zinc/51/99/04/569519904.db2.gz CZBDGCAQGMLOPG-FGZHOGPDSA-N 0 0 448.313 5.193 50 0 IKAARN Clc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009292375 569520036 /nfs/dbraw/zinc/52/00/36/569520036.db2.gz XJGHNJDNTSCSLR-PZJWPPBQSA-N 0 0 438.756 6.599 50 0 IKAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292782 569520095 /nfs/dbraw/zinc/52/00/95/569520095.db2.gz IVLNMHNMAUUHHO-GGAORHGYSA-N 0 0 438.358 6.888 50 0 IKAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009292836 569520101 /nfs/dbraw/zinc/52/01/01/569520101.db2.gz XLFGJRLYWRFFKK-GMAHTHKFSA-N 0 0 448.364 6.344 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(C)c(C)cc(C)c3C)CC2=O)cc1 ZINC000009292944 569520105 /nfs/dbraw/zinc/52/01/05/569520105.db2.gz PVVLJVYVIHZEQJ-HSZRJFAPSA-N 0 0 437.587 6.147 50 0 IKAARN Cc1nn2c(nc(C)cc2Nc2ccc(Br)cc2)c1-c1ccc(Cl)cc1 ZINC000009293521 569520214 /nfs/dbraw/zinc/52/02/14/569520214.db2.gz NEOQTBDYXNWZKN-UHFFFAOYSA-N 0 0 427.733 6.173 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3F)cc21 ZINC000009293383 569520238 /nfs/dbraw/zinc/52/02/38/569520238.db2.gz ZCEXFAOBAJDSLG-UHFFFAOYSA-N 0 0 446.478 5.272 50 0 IKAARN Cc1ccc2c(c1)C1=C([C@H](c3ccc(C(C)C)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293635 569520284 /nfs/dbraw/zinc/52/02/84/569520284.db2.gz HVVUEJNVKJTPPU-UIOOFZCWSA-N 0 0 435.531 5.318 50 0 IKAARN Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=N1)[C@H](c1ccc(C(C)C)cc1)O2 ZINC000009293637 569520321 /nfs/dbraw/zinc/52/03/21/569520321.db2.gz HVVUEJNVKJTPPU-FTJBHMTQSA-N 0 0 435.531 5.318 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1-c1ccc(F)cc1 ZINC000009296237 569520460 /nfs/dbraw/zinc/52/04/60/569520460.db2.gz CSXNVXRJNRLLDZ-UHFFFAOYSA-N 0 0 444.841 5.118 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000009300024 569520562 /nfs/dbraw/zinc/52/05/62/569520562.db2.gz UCCDIGWNGSSVDF-SIKLNZKXSA-N 0 0 445.332 5.417 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000009304561 569521158 /nfs/dbraw/zinc/52/11/58/569521158.db2.gz ZFRVRFXYASIJKP-HXUWFJFHSA-N 0 0 431.517 5.135 50 0 IKAARN Cc1c(C)n(-c2nccs2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000009304252 569521199 /nfs/dbraw/zinc/52/11/99/569521199.db2.gz KNTIAGNALMCZDG-UHFFFAOYSA-N 0 0 449.590 5.044 50 0 IKAARN CC1=NN(c2nc(-c3cccc(Br)c3)cs2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000009305039 569521221 /nfs/dbraw/zinc/52/12/21/569521221.db2.gz JPNOYBBAHPFMPJ-GOSISDBHSA-N 0 0 432.774 6.553 50 0 IKAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000009305683 569521308 /nfs/dbraw/zinc/52/13/08/569521308.db2.gz HJHBGYBWZUOZLB-UHFFFAOYSA-N 0 0 437.874 6.002 50 0 IKAARN COc1ccccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccc(Br)cc2c1=O ZINC000009307142 569521379 /nfs/dbraw/zinc/52/13/79/569521379.db2.gz QPTPESFPQPSJCR-MDWZMJQESA-N 0 0 449.304 5.033 50 0 IKAARN CCCCn1nc(NC(=O)c2ccccc2Br)c2cc3cc(C)ccc3nc21 ZINC000009307521 569521404 /nfs/dbraw/zinc/52/14/04/569521404.db2.gz WNASNYDFPPVNBF-UHFFFAOYSA-N 0 0 437.341 5.708 50 0 IKAARN COc1ccc(-c2csc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)n2)c(OC)c1 ZINC000009307943 569521430 /nfs/dbraw/zinc/52/14/30/569521430.db2.gz GBQDYNULLBEFKJ-UHFFFAOYSA-N 0 0 434.300 5.908 50 0 IKAARN COc1cccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2-c2ccccc2)c1 ZINC000009307810 569521466 /nfs/dbraw/zinc/52/14/66/569521466.db2.gz MICBCSADYPUNFR-UHFFFAOYSA-N 0 0 441.534 7.135 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)C[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000009307766 569521475 /nfs/dbraw/zinc/52/14/75/569521475.db2.gz KDGFEYANIOMHDO-MHZLTWQESA-N 0 0 449.566 6.239 50 0 IKAARN CCc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009308833 569521532 /nfs/dbraw/zinc/52/15/32/569521532.db2.gz HCQQIVIDDKLUPG-GMAHTHKFSA-N 0 0 432.365 6.508 50 0 IKAARN Cc1ccc(-c2nnc(SCc3cccc(Br)c3)n2-c2ccccc2)cc1 ZINC000009309009 569521584 /nfs/dbraw/zinc/52/15/84/569521584.db2.gz NMMAXEORFXXGQD-UHFFFAOYSA-N 0 0 436.378 6.298 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000009308962 569521595 /nfs/dbraw/zinc/52/15/95/569521595.db2.gz UYARSSLWSUMRNX-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000009308954 569521597 /nfs/dbraw/zinc/52/15/97/569521597.db2.gz BFCSWROSHDPCTC-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN Cc1c([C@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000009308881 569521599 /nfs/dbraw/zinc/52/15/99/569521599.db2.gz OCNHOKFBEGVRGQ-LEAFIULHSA-N 0 0 436.599 6.558 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000009309790 569521651 /nfs/dbraw/zinc/52/16/51/569521651.db2.gz CLGLAHGFJQRIDE-YADHBBJMSA-N 0 0 448.313 5.193 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000009309744 569521665 /nfs/dbraw/zinc/52/16/65/569521665.db2.gz BOWAQFPAENVRHX-HXUWFJFHSA-N 0 0 437.282 5.240 50 0 IKAARN CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000009310843 569521752 /nfs/dbraw/zinc/52/17/52/569521752.db2.gz WUEJOYYEXYZXNN-LMSSTIIKSA-N 0 0 440.587 7.196 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000009310925 569521809 /nfs/dbraw/zinc/52/18/09/569521809.db2.gz GNABHKPXYBDHEA-MFMCTBQISA-N 0 0 448.566 7.261 50 0 IKAARN COc1ccc(-c2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)cs2)cc1OC ZINC000009314371 569522002 /nfs/dbraw/zinc/52/20/02/569522002.db2.gz ASTOKARAFWCDLG-SFHVURJKSA-N 0 0 430.595 5.070 50 0 IKAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4csc(-c5ccsc5)n4)C3=O)ccc2c1 ZINC000009315441 569522101 /nfs/dbraw/zinc/52/21/01/569522101.db2.gz JNNFCNJQSIUQIP-QHCPKHFHSA-N 0 0 449.557 5.001 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009315564 569522109 /nfs/dbraw/zinc/52/21/09/569522109.db2.gz DQHDVALQLVQJIV-HXUWFJFHSA-N 0 0 428.557 5.748 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009315563 569522143 /nfs/dbraw/zinc/52/21/43/569522143.db2.gz DQHDVALQLVQJIV-FQEVSTJZSA-N 0 0 428.557 5.748 50 0 IKAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4csc(-c5ccsc5)n4)C3=O)ccc2c1 ZINC000009315443 569522147 /nfs/dbraw/zinc/52/21/47/569522147.db2.gz JNNFCNJQSIUQIP-HSZRJFAPSA-N 0 0 449.557 5.001 50 0 IKAARN Cc1cc2oc(=O)cc(COC(=O)c3ncc(Cl)c(Cl)c3Cl)c2cc1C(C)C ZINC000009315461 569522150 /nfs/dbraw/zinc/52/21/50/569522150.db2.gz NSDGFFTVYTZDHG-UHFFFAOYSA-N 0 0 440.710 5.937 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn32)cc1 ZINC000009316555 569522233 /nfs/dbraw/zinc/52/22/33/569522233.db2.gz LRLXQWKJKLRZBF-UHFFFAOYSA-N 0 0 427.504 5.020 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3C)c3ccccn32)cc1 ZINC000009316576 569522247 /nfs/dbraw/zinc/52/22/47/569522247.db2.gz DSNZOUVBWBPQEK-UHFFFAOYSA-N 0 0 427.504 5.020 50 0 IKAARN COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000009320531 569522532 /nfs/dbraw/zinc/52/25/32/569522532.db2.gz VKKPTLMEGGYFCG-UHFFFAOYSA-N 0 0 435.954 5.273 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ncc(-c5ccc(F)cc5)o4)cc3)sc2c1 ZINC000009321947 569522611 /nfs/dbraw/zinc/52/26/11/569522611.db2.gz HRCUVRKVAFTFEG-UHFFFAOYSA-N 0 0 429.476 6.318 50 0 IKAARN O=C(Nc1nnc(SCC(=O)c2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000009324737 569522687 /nfs/dbraw/zinc/52/26/87/569522687.db2.gz MDURIECZCPCGOC-UHFFFAOYSA-N 0 0 439.349 5.464 50 0 IKAARN O=C(Nc1cccs1)Nc1nnc(SCc2ccc(Br)cc2)s1 ZINC000009324183 569522695 /nfs/dbraw/zinc/52/26/95/569522695.db2.gz RFFQTBNTOBLBOM-UHFFFAOYSA-N 0 0 427.374 5.298 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)n1c2ccccc2nc1SCc1ccccc1 ZINC000009327371 569522716 /nfs/dbraw/zinc/52/27/16/569522716.db2.gz MYFPQEMJWCZPNS-DNVCBOLYSA-N 0 0 431.388 6.560 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc(F)cc1 ZINC000009327909 569522733 /nfs/dbraw/zinc/52/27/33/569522733.db2.gz RRMKFAODZCXVSB-UHFFFAOYSA-N 0 0 440.396 5.616 50 0 IKAARN COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(OC)c(OC)c2)cc1 ZINC000009328002 569522818 /nfs/dbraw/zinc/52/28/18/569522818.db2.gz NYCCXKNSOCIDSQ-UHFFFAOYSA-N 0 0 447.512 5.207 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccccc1Cl ZINC000009328047 569522825 /nfs/dbraw/zinc/52/28/25/569522825.db2.gz TXBMVNPMGHHPDY-UHFFFAOYSA-N 0 0 426.324 6.488 50 0 IKAARN COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(OC)c(OC)c2)c1 ZINC000009328013 569522835 /nfs/dbraw/zinc/52/28/35/569522835.db2.gz STZYBLFSBZHPLR-UHFFFAOYSA-N 0 0 447.512 5.207 50 0 IKAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1 ZINC000009329385 569522874 /nfs/dbraw/zinc/52/28/74/569522874.db2.gz YQOGHPZQDNOPIP-QFIPXVFZSA-N 0 0 436.471 5.100 50 0 IKAARN COc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000009329927 569522970 /nfs/dbraw/zinc/52/29/70/569522970.db2.gz QJOKBYMXIDKURG-YYVWFHOOSA-N 0 0 444.531 5.742 50 0 IKAARN C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000009335558 569523320 /nfs/dbraw/zinc/52/33/20/569523320.db2.gz BSCUXQPXYKSCIZ-INIZCTEOSA-N 0 0 449.963 5.009 50 0 IKAARN C[C@@H]1C[C@@H](Sc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc43)o2)C(=O)O1 ZINC000009336623 569523467 /nfs/dbraw/zinc/52/34/67/569523467.db2.gz JVYSRNRPBBQUBS-CWTRNNRKSA-N 0 0 437.908 5.401 50 0 IKAARN Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000009339417 569523811 /nfs/dbraw/zinc/52/38/11/569523811.db2.gz OQJLTYVIAJRBSV-VWLOTQADSA-N 0 0 425.488 5.642 50 0 IKAARN CC(C)(C)c1nc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)no1 ZINC000069920308 569523907 /nfs/dbraw/zinc/52/39/07/569523907.db2.gz MQBRJQDFKCZOEJ-OAQYLSRUSA-N 0 0 439.604 5.056 50 0 IKAARN CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2F)cc1O ZINC000009344937 569524061 /nfs/dbraw/zinc/52/40/61/569524061.db2.gz MRIHBBBHHCWANO-UHFFFAOYSA-N 0 0 432.451 5.758 50 0 IKAARN COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000009345680 569524130 /nfs/dbraw/zinc/52/41/30/569524130.db2.gz HESXKURXMADQIJ-UHFFFAOYSA-N 0 0 447.466 5.259 50 0 IKAARN Fc1cccc(Cl)c1CSc1ncnc2c1cnn2-c1ccc(Br)cc1 ZINC000009345518 569524144 /nfs/dbraw/zinc/52/41/44/569524144.db2.gz HVKKVDQFHXGDND-UHFFFAOYSA-N 0 0 449.736 5.663 50 0 IKAARN Cc1c2nc(N3CCN(C(=O)Cc4cccc5ccccc54)CC3)sc2ccc1Cl ZINC000009345728 569524163 /nfs/dbraw/zinc/52/41/63/569524163.db2.gz KZDYYDSYCYOTGV-UHFFFAOYSA-N 0 0 435.980 5.303 50 0 IKAARN Cc1nn2c(nc(C)cc2SCc2cccc3ccccc32)c1-c1ccc(Cl)cc1 ZINC000009346431 569524209 /nfs/dbraw/zinc/52/42/09/569524209.db2.gz MZQFEBIHAYEGAJ-UHFFFAOYSA-N 0 0 429.976 7.112 50 0 IKAARN O=C(/C=C/c1ccc(F)cc1)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000009346209 569524233 /nfs/dbraw/zinc/52/42/33/569524233.db2.gz OQQJQJAWBFNHGR-QBCCSFBISA-N 0 0 439.494 5.215 50 0 IKAARN O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 ZINC000009347271 569524263 /nfs/dbraw/zinc/52/42/63/569524263.db2.gz WFPDONIFXWUKBA-UHFFFAOYSA-N 0 0 443.528 5.429 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccc(F)cc1 ZINC000009347239 569524272 /nfs/dbraw/zinc/52/42/72/569524272.db2.gz XPNSPKAGXOVVIP-UHFFFAOYSA-N 0 0 431.492 5.803 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCc1ccccc1 ZINC000009347714 569524358 /nfs/dbraw/zinc/52/43/58/569524358.db2.gz IPAUJSYFUGGXLI-JOCHJYFZSA-N 0 0 433.866 5.373 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCc3cccnc3)c(=O)oc12 ZINC000009348122 569524366 /nfs/dbraw/zinc/52/43/66/569524366.db2.gz MGBGOJPYRFLYGD-UHFFFAOYSA-N 0 0 432.520 5.098 50 0 IKAARN COc1ccc(-c2csc(Cc3ncc(-c4cc5ccccc5oc4=O)s3)n2)cc1 ZINC000009349087 569524664 /nfs/dbraw/zinc/52/46/64/569524664.db2.gz AILWMQPCSHUSJP-UHFFFAOYSA-N 0 0 432.526 5.639 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000009349543 569524763 /nfs/dbraw/zinc/52/47/63/569524763.db2.gz JOKAQZMPGCIPMY-UHFFFAOYSA-N 0 0 443.519 5.468 50 0 IKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009354545 569525053 /nfs/dbraw/zinc/52/50/53/569525053.db2.gz YTSJYJUCLQGLJG-UHFFFAOYSA-N 0 0 434.520 6.447 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 ZINC000009354599 569525091 /nfs/dbraw/zinc/52/50/91/569525091.db2.gz ZEANGQIXINPZAU-UHFFFAOYSA-N 0 0 431.311 5.002 50 0 IKAARN Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)cs2)cc1 ZINC000009354727 569525095 /nfs/dbraw/zinc/52/50/95/569525095.db2.gz FQJKMJMLHMTQRO-UHFFFAOYSA-N 0 0 427.529 5.932 50 0 IKAARN COc1cccc(C(=O)Nc2cc3ccccc3cc2NC(=O)c2cccc(OC)c2)c1 ZINC000009354573 569525135 /nfs/dbraw/zinc/52/51/35/569525135.db2.gz GQVYYRBBAQMLAF-UHFFFAOYSA-N 0 0 426.472 5.362 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 ZINC000009354989 569525136 /nfs/dbraw/zinc/52/51/36/569525136.db2.gz KPIHMKXGWXNFIX-SANMLTNESA-N 0 0 449.529 5.938 50 0 IKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1-c1ccccc1 ZINC000009355477 569525230 /nfs/dbraw/zinc/52/52/30/569525230.db2.gz JOEQMEWVLXSMQS-GDLZYMKVSA-N 0 0 428.535 6.591 50 0 IKAARN CC(C)OCCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009355549 569525240 /nfs/dbraw/zinc/52/52/40/569525240.db2.gz KHAWXWFKRZACQE-HHHXNRCGSA-N 0 0 442.534 6.334 50 0 IKAARN CCCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000009355603 569525267 /nfs/dbraw/zinc/52/52/67/569525267.db2.gz GBSKHQJWIVEOGS-SIBVEZHUSA-N 0 0 431.580 5.578 50 0 IKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000009356871 569525531 /nfs/dbraw/zinc/52/55/31/569525531.db2.gz RWRMEGDXKXIYGJ-JOCHJYFZSA-N 0 0 448.295 5.728 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)c(C)c2)cc1 ZINC000009360959 569525752 /nfs/dbraw/zinc/52/57/52/569525752.db2.gz CQFQVSLXHMDOIF-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)cc1 ZINC000009363792 569525943 /nfs/dbraw/zinc/52/59/43/569525943.db2.gz JEJGRRQLLGWNOF-UHFFFAOYSA-N 0 0 427.529 5.547 50 0 IKAARN Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)c(C)c1 ZINC000009363718 569525949 /nfs/dbraw/zinc/52/59/49/569525949.db2.gz ORQLSZYWXSWEPM-BZZOAKBMSA-N 0 0 428.001 5.051 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1Br ZINC000009363932 569525961 /nfs/dbraw/zinc/52/59/61/569525961.db2.gz DYPXNOTYHJNQJB-UHFFFAOYSA-N 0 0 430.323 5.607 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc43)s2)c1 ZINC000009365116 569526132 /nfs/dbraw/zinc/52/61/32/569526132.db2.gz BRIBCVPVMIIUGA-UHFFFAOYSA-N 0 0 448.573 5.291 50 0 IKAARN CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000009366647 569526277 /nfs/dbraw/zinc/52/62/77/569526277.db2.gz VUUATENUARDNHB-UHFFFAOYSA-N 0 0 439.484 5.500 50 0 IKAARN O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1ccccc1Cl ZINC000009366756 569526294 /nfs/dbraw/zinc/52/62/94/569526294.db2.gz GBHSLAKVDFSYQA-UHFFFAOYSA-N 0 0 429.876 5.755 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2ccccc2cc1OC ZINC000009367799 569526517 /nfs/dbraw/zinc/52/65/17/569526517.db2.gz GQVCOINEDGRPIS-UHFFFAOYSA-N 0 0 431.513 6.006 50 0 IKAARN O=C(CCSc1ccccc1)Nc1cccc(NC(=O)CCSc2ccccc2)c1 ZINC000009368857 569526690 /nfs/dbraw/zinc/52/66/90/569526690.db2.gz MFUVDOUNVRMRLV-UHFFFAOYSA-N 0 0 436.602 5.928 50 0 IKAARN O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000009369968 569526862 /nfs/dbraw/zinc/52/68/62/569526862.db2.gz IJIOAXVDNUOUDM-LJJIPZOBSA-N 0 0 431.333 5.840 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCC[C@H]1C1CCCCC1 ZINC000069982744 569526886 /nfs/dbraw/zinc/52/68/86/569526886.db2.gz PEWRCCLHVQVEFF-WMZOPIPTSA-N 0 0 426.504 5.080 50 0 IKAARN Cc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N ZINC000009370948 569526891 /nfs/dbraw/zinc/52/68/91/569526891.db2.gz MNEHPORIJNGJBB-UHFFFAOYSA-N 0 0 425.513 6.366 50 0 IKAARN Cc1cc2nnc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)n2c2ccccc12 ZINC000009373170 569526956 /nfs/dbraw/zinc/52/69/56/569526956.db2.gz MDFMMPVWEQNXRH-ASXFNGKXSA-N 0 0 434.609 5.004 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccccc5Cl)c3c2N)CCC4)c1 ZINC000009375553 569527192 /nfs/dbraw/zinc/52/71/92/569527192.db2.gz WAZYCMRYRVPSEH-UHFFFAOYSA-N 0 0 449.963 5.949 50 0 IKAARN Nc1c(C(=O)c2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCC3 ZINC000009375467 569527221 /nfs/dbraw/zinc/52/72/21/569527221.db2.gz GXCMUKDWWQAKSQ-UHFFFAOYSA-N 0 0 439.334 5.621 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc(OC)cc1OC ZINC000009375618 569527248 /nfs/dbraw/zinc/52/72/48/569527248.db2.gz VBARKUHSBMWAHE-QHCPKHFHSA-N 0 0 435.501 6.641 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1-c1nccs1 ZINC000009376206 569527309 /nfs/dbraw/zinc/52/73/09/569527309.db2.gz COQKSLAHQFDUJL-UHFFFAOYSA-N 0 0 427.580 5.121 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2Cl)c1 ZINC000009379352 569527692 /nfs/dbraw/zinc/52/76/92/569527692.db2.gz IGYSZUYMNYFHSS-UHFFFAOYSA-N 0 0 448.979 5.305 50 0 IKAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000009380187 569527876 /nfs/dbraw/zinc/52/78/76/569527876.db2.gz XTTBBDJSRSVIOH-JOCHJYFZSA-N 0 0 435.930 6.148 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc(OCC)c1OCC ZINC000009380217 569527890 /nfs/dbraw/zinc/52/78/90/569527890.db2.gz VJTVPXVPCGUCPT-UHFFFAOYSA-N 0 0 432.948 5.389 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4cccs4)c12)CCC3 ZINC000009380768 569527949 /nfs/dbraw/zinc/52/79/49/569527949.db2.gz CHAQIZROMWFAIX-UHFFFAOYSA-N 0 0 425.966 6.001 50 0 IKAARN O=c1sc2ccccc2n1Cc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1 ZINC000009382821 569528338 /nfs/dbraw/zinc/52/83/38/569528338.db2.gz OUISWZCPFFOPMV-UHFFFAOYSA-N 0 0 448.548 5.123 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(C)cc2)c1 ZINC000009387227 569528432 /nfs/dbraw/zinc/52/84/32/569528432.db2.gz AHGBLNJJTKHDIU-SFTDATJTSA-N 0 0 430.548 5.511 50 0 IKAARN Cc1c(Cl)cccc1Nc1nnc(S[C@@H](C)c2nc(-c3ccncc3)no2)s1 ZINC000009389830 569528553 /nfs/dbraw/zinc/52/85/53/569528553.db2.gz VAIAVMAKCUZDGJ-NSHDSACASA-N 0 0 430.946 5.542 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2)cc1 ZINC000009390348 569528656 /nfs/dbraw/zinc/52/86/56/569528656.db2.gz ADOBJIQHJDRIBY-QHCPKHFHSA-N 0 0 436.939 5.279 50 0 IKAARN CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1 ZINC000009390943 569528802 /nfs/dbraw/zinc/52/88/02/569528802.db2.gz SXOZRVNRQWNQTO-UHFFFAOYSA-N 0 0 438.641 5.203 50 0 IKAARN O=C(CSCc1ccccc1)Nc1nnc(SCc2c(F)cccc2Cl)s1 ZINC000009391021 569528828 /nfs/dbraw/zinc/52/88/28/569528828.db2.gz XBJQKEWWOUAMGE-UHFFFAOYSA-N 0 0 439.990 5.495 50 0 IKAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1OCC ZINC000009390997 569528837 /nfs/dbraw/zinc/52/88/37/569528837.db2.gz AGBXQJZCVPCPDZ-UHFFFAOYSA-N 0 0 443.956 5.322 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCCC2)cs1 ZINC000070019603 569528851 /nfs/dbraw/zinc/52/88/51/569528851.db2.gz HKXWVYDPBHOGIP-HXUWFJFHSA-N 0 0 441.622 5.294 50 0 IKAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009391131 569528883 /nfs/dbraw/zinc/52/88/83/569528883.db2.gz XLQOXHGAGMKDRA-NRFANRHFSA-N 0 0 446.403 5.996 50 0 IKAARN S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000009391130 569528889 /nfs/dbraw/zinc/52/88/89/569528889.db2.gz FNOIYRLEHJLQCY-IBGZPJMESA-N 0 0 436.795 6.250 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)c1ccco1)CC2 ZINC000009391326 569528923 /nfs/dbraw/zinc/52/89/23/569528923.db2.gz HKFAKKJCJVPRFN-QFIPXVFZSA-N 0 0 435.520 5.239 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)[C@H]1COc2ccccc2O1 ZINC000009391428 569528937 /nfs/dbraw/zinc/52/89/37/569528937.db2.gz IJFRYYBPFRAOJU-GOSISDBHSA-N 0 0 448.569 5.682 50 0 IKAARN Cc1ccccc1-n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CSC2 ZINC000009391571 569528942 /nfs/dbraw/zinc/52/89/42/569528942.db2.gz KHQRZDKCMPZTPR-UHFFFAOYSA-N 0 0 437.996 6.031 50 0 IKAARN Cc1ccc(Cn2cc(SCC(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000009391748 569528965 /nfs/dbraw/zinc/52/89/65/569528965.db2.gz KZNWDTRZWJRNFZ-UHFFFAOYSA-N 0 0 443.597 6.339 50 0 IKAARN Cc1ccc(C)c(CSc2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 ZINC000009391704 569528972 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CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000009402080 569529400 /nfs/dbraw/zinc/52/94/00/569529400.db2.gz PODUGIDRBBRHHJ-UHFFFAOYSA-N 0 0 446.557 5.547 50 0 IKAARN CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000009402114 569529411 /nfs/dbraw/zinc/52/94/11/569529411.db2.gz WIFMMFVSNLZNLI-UHFFFAOYSA-N 0 0 432.549 5.003 50 0 IKAARN COc1ccc2nc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000009402018 569529414 /nfs/dbraw/zinc/52/94/14/569529414.db2.gz ORCQCFJTCAAYOG-UHFFFAOYSA-N 0 0 432.530 5.157 50 0 IKAARN O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1ccccc1Cl ZINC000009402832 569529448 /nfs/dbraw/zinc/52/94/48/569529448.db2.gz NREFRSCUPVAKBL-UHFFFAOYSA-N 0 0 428.922 5.474 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000009403946 569529566 /nfs/dbraw/zinc/52/95/66/569529566.db2.gz CFCACDDGAVWSIB-UHFFFAOYSA-N 0 0 430.316 5.683 50 0 IKAARN Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000009404024 569529583 /nfs/dbraw/zinc/52/95/83/569529583.db2.gz 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569529671 /nfs/dbraw/zinc/52/96/71/569529671.db2.gz UQZMRPZZINXTCH-UHFFFAOYSA-N 0 0 448.773 5.596 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3cc(Cl)sc3Cl)sc2-c2ccccc2)cc1 ZINC000009404645 569529683 /nfs/dbraw/zinc/52/96/83/569529683.db2.gz YKJMMMRJOHUCQS-UHFFFAOYSA-N 0 0 445.396 7.406 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000009404654 569529689 /nfs/dbraw/zinc/52/96/89/569529689.db2.gz PQCVCPRVKXPTOX-UHFFFAOYSA-N 0 0 446.535 6.759 50 0 IKAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000009404606 569529695 /nfs/dbraw/zinc/52/96/95/569529695.db2.gz KBWJURRELOLCCV-MHZLTWQESA-N 0 0 434.543 5.854 50 0 IKAARN CSc1nc2ccc3nc(NC(=O)c4ccc(Br)cc4)sc3c2s1 ZINC000009404739 569529696 /nfs/dbraw/zinc/52/96/96/569529696.db2.gz OIZKIOGQAMWMBT-UHFFFAOYSA-N 0 0 436.381 5.643 50 0 IKAARN Clc1ccc(-c2csc(-c3cc4cc(Cl)ccc4o/c3=N\c3ccccc3)n2)cc1 ZINC000009404591 569529698 /nfs/dbraw/zinc/52/96/98/569529698.db2.gz VJRSZYDEVVAFAY-VYIQYICTSA-N 0 0 449.362 7.763 50 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0 IKAARN CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccc(C(C)C)cc1 ZINC000009407771 569530298 /nfs/dbraw/zinc/53/02/98/569530298.db2.gz QPPSZLUBQQAPQJ-UHFFFAOYSA-N 0 0 442.049 7.854 50 0 IKAARN Cc1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1C ZINC000009407702 569530307 /nfs/dbraw/zinc/53/03/07/569530307.db2.gz IBUHLJLHEUHCAV-UHFFFAOYSA-N 0 0 431.966 5.249 50 0 IKAARN CCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1cc(C)ccc1C ZINC000009407707 569530309 /nfs/dbraw/zinc/53/03/09/569530309.db2.gz VRVGYORXIFQORT-UHFFFAOYSA-N 0 0 445.993 5.639 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000009407717 569530312 /nfs/dbraw/zinc/53/03/12/569530312.db2.gz YWAFJGXOJSHDDJ-AWEZNQCLSA-N 0 0 445.993 5.107 50 0 IKAARN COc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1Cl ZINC000009407808 569530349 /nfs/dbraw/zinc/53/03/49/569530349.db2.gz WDXOJQBZDZMHCJ-UHFFFAOYSA-N 0 0 448.954 5.579 50 0 IKAARN Cc1cc(C)c2c(nn3c2nc(C)c(CCC(=O)Nc2cc(Cl)cc(Cl)c2)c3C)n1 ZINC000009407823 569530360 /nfs/dbraw/zinc/53/03/60/569530360.db2.gz ICWSJIHGALZILB-UHFFFAOYSA-N 0 0 442.350 5.389 50 0 IKAARN CSc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)c1 ZINC000009407801 569530367 /nfs/dbraw/zinc/53/03/67/569530367.db2.gz QKIICPORGINHGB-UHFFFAOYSA-N 0 0 430.577 5.639 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c(C)c12 ZINC000009407981 569530398 /nfs/dbraw/zinc/53/03/98/569530398.db2.gz LWVVDCZQIXERSB-UHFFFAOYSA-N 0 0 432.955 5.879 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N[C@@H](C)CCc3ccco3)c(C)c12 ZINC000009408023 569530452 /nfs/dbraw/zinc/53/04/52/569530452.db2.gz QPSLFXTZINPSTH-SFHVURJKSA-N 0 0 444.579 5.317 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)c12 ZINC000009408520 569530598 /nfs/dbraw/zinc/53/05/98/569530598.db2.gz OSVBPRFPTHOZDF-UHFFFAOYSA-N 0 0 444.623 5.902 50 0 IKAARN COc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)c(C)c2)c1C ZINC000009408522 569530599 /nfs/dbraw/zinc/53/05/99/569530599.db2.gz 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COc1ccc(-c2cc(OC(=O)COc3ccc(Cl)cc3)cc3sc(=O)oc32)cc1 ZINC000009408855 569530734 /nfs/dbraw/zinc/53/07/34/569530734.db2.gz JYXZLWUHRHSBAI-UHFFFAOYSA-N 0 0 442.876 5.168 50 0 IKAARN CC(C)(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000009408984 569530842 /nfs/dbraw/zinc/53/08/42/569530842.db2.gz WOBPUSRDWMVJPI-DEOSSOPVSA-N 0 0 427.504 5.418 50 0 IKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009409253 569530987 /nfs/dbraw/zinc/53/09/87/569530987.db2.gz OOBLADCDXUSEBQ-AREMUKBSSA-N 0 0 439.515 5.920 50 0 IKAARN Cc1noc(-c2ccc(OCc3ccccc3)cc2O)c1-c1ccc(Br)cc1 ZINC000009409878 569531210 /nfs/dbraw/zinc/53/12/10/569531210.db2.gz IAGLZGRAUILRSF-UHFFFAOYSA-N 0 0 436.305 6.364 50 0 IKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)cc1 ZINC000009410228 569531308 /nfs/dbraw/zinc/53/13/08/569531308.db2.gz UHOMCJMUAIPSIW-UHFFFAOYSA-N 0 0 439.870 6.403 50 0 IKAARN COc1ccc(Oc2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 ZINC000009410337 569531358 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Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)no1 ZINC000009449359 569536189 /nfs/dbraw/zinc/53/61/89/569536189.db2.gz WPYRHWSBIRQQJI-KRWDZBQOSA-N 0 0 427.243 5.146 50 0 IKAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3cccs3)nc3ccccc31)CC2 ZINC000009449716 569536202 /nfs/dbraw/zinc/53/62/02/569536202.db2.gz GUENOEWEWZRJJS-UHFFFAOYSA-N 0 0 430.529 5.179 50 0 IKAARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1cccs1 ZINC000009449952 569536264 /nfs/dbraw/zinc/53/62/64/569536264.db2.gz AGFBHWFKKUJPAU-UHFFFAOYSA-N 0 0 425.849 5.156 50 0 IKAARN COc1cccc(-c2nc3c(c(SCC(=O)Nc4cccc(C)c4)n2)COC(C)(C)C3)c1 ZINC000009450768 569536316 /nfs/dbraw/zinc/53/63/16/569536316.db2.gz GJGMLRGYQXBEQP-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000009450777 569536323 /nfs/dbraw/zinc/53/63/23/569536323.db2.gz FWAZAVDQQRWZQW-JOCHJYFZSA-N 0 0 448.906 5.924 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccccc1F ZINC000009450857 569536327 /nfs/dbraw/zinc/53/63/27/569536327.db2.gz ARZPANBLCKKUBJ-UHFFFAOYSA-N 0 0 440.396 5.616 50 0 IKAARN Cc1ccc([C@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@H](C(C)C)C2)cc1 ZINC000009450795 569536354 /nfs/dbraw/zinc/53/63/54/569536354.db2.gz HWGMGUWZMIRCFG-SIKLNZKXSA-N 0 0 434.374 5.243 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)s1 ZINC000009452175 569536446 /nfs/dbraw/zinc/53/64/46/569536446.db2.gz CZAHJPZRCSZXAX-QZIMMCEPSA-N 0 0 431.399 6.269 50 0 IKAARN COCCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(C)c1 ZINC000009453386 569536618 /nfs/dbraw/zinc/53/66/18/569536618.db2.gz RCUFKIPHLCPFMY-UHFFFAOYSA-N 0 0 438.597 5.063 50 0 IKAARN CC[C@H]1CCc2sc(C(=O)OCc3nnc(-c4c(C)onc4-c4ccccc4)o3)cc2C1 ZINC000009454596 569536680 /nfs/dbraw/zinc/53/66/80/569536680.db2.gz QUFVKBRRYUQWGS-HNNXBMFYSA-N 0 0 449.532 5.633 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1)c1cccs1 ZINC000009454771 569536714 /nfs/dbraw/zinc/53/67/14/569536714.db2.gz VQUIJZSCCRZUMB-GOSISDBHSA-N 0 0 433.558 5.587 50 0 IKAARN COc1cc([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc(OC)c1OC ZINC000009456289 569536728 /nfs/dbraw/zinc/53/67/28/569536728.db2.gz POPHFHVUEJHMBY-JOCHJYFZSA-N 0 0 442.489 5.595 50 0 IKAARN Cc1ccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)c(C)c1 ZINC000009458324 569536752 /nfs/dbraw/zinc/53/67/52/569536752.db2.gz OMQAULBCOIEZJL-GXDHUFHOSA-N 0 0 431.333 5.935 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C/c2cc(Br)ccc2O)c(C)c1 ZINC000009457565 569536802 /nfs/dbraw/zinc/53/68/02/569536802.db2.gz IYUGIQJKJLQOCA-XYOKQWHBSA-N 0 0 447.332 5.641 50 0 IKAARN Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000009459693 569536856 /nfs/dbraw/zinc/53/68/56/569536856.db2.gz YBVSATGNIQFNFA-SCLBCKFNSA-N 0 0 440.396 6.053 50 0 IKAARN O=C(c1ccc(Cl)cc1)c1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000009460454 569536929 /nfs/dbraw/zinc/53/69/29/569536929.db2.gz TVOCCMDNXXABSO-UHFFFAOYSA-N 0 0 425.271 5.853 50 0 IKAARN CSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=N2)c2ccccc2O[C@H]1c1cccs1 ZINC000009461267 569536981 /nfs/dbraw/zinc/53/69/81/569536981.db2.gz RHRLVSWJRHZUNP-RTWAWAEBSA-N 0 0 448.548 5.761 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(Cl)s2)cc1 ZINC000009460912 569537012 /nfs/dbraw/zinc/53/70/12/569537012.db2.gz TYXUJCBYWKKJDJ-UHFFFAOYSA-N 0 0 442.949 5.084 50 0 IKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000009461279 569537050 /nfs/dbraw/zinc/53/70/50/569537050.db2.gz QCGDDVOYPSATIG-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1C ZINC000009461109 569537051 /nfs/dbraw/zinc/53/70/51/569537051.db2.gz FHSFYTQVSBLKFH-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c12 ZINC000009461448 569537071 /nfs/dbraw/zinc/53/70/71/569537071.db2.gz BNYBYGXONZNGED-UHFFFAOYSA-N 0 0 445.544 6.665 50 0 IKAARN CCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 ZINC000009461953 569537154 /nfs/dbraw/zinc/53/71/54/569537154.db2.gz NIESRYGYRRACQR-CQSZACIVSA-N 0 0 432.952 5.575 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009462192 569537242 /nfs/dbraw/zinc/53/72/42/569537242.db2.gz QNLQEZCOMBQHPE-GUDVDZBRSA-N 0 0 445.327 5.106 50 0 IKAARN CCCCCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 ZINC000009462542 569537288 /nfs/dbraw/zinc/53/72/88/569537288.db2.gz CBRMFSLTDNMOMI-UHFFFAOYSA-N 0 0 448.632 6.592 50 0 IKAARN Cc1cc(C)cc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 ZINC000009462537 569537312 /nfs/dbraw/zinc/53/73/12/569537312.db2.gz JFBKMWZYQICFLQ-UHFFFAOYSA-N 0 0 429.321 6.015 50 0 IKAARN Cc1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)nn1-c1ccc(Cl)cc1 ZINC000009463012 569537361 /nfs/dbraw/zinc/53/73/61/569537361.db2.gz PYFZCQOBXXUYNK-GOSISDBHSA-N 0 0 437.956 5.206 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 ZINC000009463691 569537490 /nfs/dbraw/zinc/53/74/90/569537490.db2.gz BYLQPDGGNYPKOA-GHTZIAJQSA-N 0 0 445.263 5.871 50 0 IKAARN CCCCCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 ZINC000009464120 569537582 /nfs/dbraw/zinc/53/75/82/569537582.db2.gz WNCMJRNNBAQIMV-UHFFFAOYSA-N 0 0 429.611 5.677 50 0 IKAARN CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)s2)CC1 ZINC000009464008 569537586 /nfs/dbraw/zinc/53/75/86/569537586.db2.gz KXPVVBBHAHCWFS-UHFFFAOYSA-N 0 0 433.577 5.291 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2OC)cc1 ZINC000009464103 569537591 /nfs/dbraw/zinc/53/75/91/569537591.db2.gz JDNDZAWBXVLDAX-UHFFFAOYSA-N 0 0 442.515 5.091 50 0 IKAARN Cc1ccc(Nc2nnc(SCc3nc4ccc(Cl)cc4n3CCO)s2)cc1C ZINC000009464494 569537660 /nfs/dbraw/zinc/53/76/60/569537660.db2.gz ZIXRVTCNXXIYCP-UHFFFAOYSA-N 0 0 446.001 5.186 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)o1 ZINC000009464399 569537677 /nfs/dbraw/zinc/53/76/77/569537677.db2.gz OUXIRCFFKJJOBH-GFCCVEGCSA-N 0 0 442.338 5.652 50 0 IKAARN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000009464919 569537794 /nfs/dbraw/zinc/53/77/94/569537794.db2.gz FDPWUIVITYONPN-UHFFFAOYSA-N 0 0 446.532 5.107 50 0 IKAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(Cc1ccco1)C1=CCCCC1 ZINC000009465472 569537988 /nfs/dbraw/zinc/53/79/88/569537988.db2.gz RMSOPBVISRLELT-UHFFFAOYSA-N 0 0 444.557 5.593 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)cc1 ZINC000009465564 569537989 /nfs/dbraw/zinc/53/79/89/569537989.db2.gz ZEXFRMAJXWTNFE-IFMALSPDSA-N 0 0 436.309 5.095 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009465921 569538105 /nfs/dbraw/zinc/53/81/05/569538105.db2.gz GCKSLFUKLCUXGC-QGZVFWFLSA-N 0 0 430.533 5.062 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)cc1 ZINC000009466065 569538111 /nfs/dbraw/zinc/53/81/11/569538111.db2.gz WYHOMWCZCBRWJU-UHFFFAOYSA-N 0 0 447.516 5.210 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nc4cc(Cl)ccc4[nH]3)cs2)cc1 ZINC000009467271 569538387 /nfs/dbraw/zinc/53/83/87/569538387.db2.gz OHIACFGBYPKTSK-UHFFFAOYSA-N 0 0 428.970 5.455 50 0 IKAARN C[C@H](c1nnc(SCC(=O)c2ccccc2F)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009468711 569538665 /nfs/dbraw/zinc/53/86/65/569538665.db2.gz QNTAFWVFUMZWTD-MRXNPFEDSA-N 0 0 442.535 5.067 50 0 IKAARN Cc1ccc(SCc2cccc(C(=O)Nc3ccnn3Cc3ccccn3)c2)c(C)c1 ZINC000009469674 569538870 /nfs/dbraw/zinc/53/88/70/569538870.db2.gz BFDGOIBZBADJBG-UHFFFAOYSA-N 0 0 428.561 5.488 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000009471869 569538946 /nfs/dbraw/zinc/53/89/46/569538946.db2.gz VVVMCDWBYSWVGO-UHFFFAOYSA-N 0 0 432.892 5.919 50 0 IKAARN CCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000009471604 569538963 /nfs/dbraw/zinc/53/89/63/569538963.db2.gz KGMTZLMDKBTIQY-UHFFFAOYSA-N 0 0 449.645 7.040 50 0 IKAARN COc1ccccc1-c1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)o1 ZINC000009471848 569538978 /nfs/dbraw/zinc/53/89/78/569538978.db2.gz YCCGWENFRUMXBC-UHFFFAOYSA-N 0 0 428.473 5.274 50 0 IKAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000009471666 569539000 /nfs/dbraw/zinc/53/90/00/569539000.db2.gz WHQPYOJPVUHTFT-UHFFFAOYSA-N 0 0 447.360 5.505 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1Cl ZINC000009476809 569539077 /nfs/dbraw/zinc/53/90/77/569539077.db2.gz UNNFANRPFGYGTM-UHFFFAOYSA-N 0 0 440.381 5.083 50 0 IKAARN Cn1ccnc1SCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000009477249 569539152 /nfs/dbraw/zinc/53/91/52/569539152.db2.gz MHVHRBBKGJEZQR-UHFFFAOYSA-N 0 0 438.553 5.008 50 0 IKAARN Cc1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)n1C1CCCCC1 ZINC000009477264 569539167 /nfs/dbraw/zinc/53/91/67/569539167.db2.gz BMFQICBBVBUAND-OAQYLSRUSA-N 0 0 426.611 5.151 50 0 IKAARN Cc1cccc(CSc2nnc(-c3cc4sccc4n3C)n2-c2cc(C)ccc2C)c1 ZINC000009477734 569539197 /nfs/dbraw/zinc/53/91/97/569539197.db2.gz VBGYXIXUUQSONM-UHFFFAOYSA-N 0 0 444.629 6.705 50 0 IKAARN CCN(CC)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000009477593 569539221 /nfs/dbraw/zinc/53/92/21/569539221.db2.gz LPCFKBYRERRWEW-AREMUKBSSA-N 0 0 441.575 5.047 50 0 IKAARN O=C([C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1)N1CCCC1 ZINC000009478091 569539291 /nfs/dbraw/zinc/53/92/91/569539291.db2.gz NUAYLNKENCQORS-JOCHJYFZSA-N 0 0 443.576 5.217 50 0 IKAARN Brc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000009478422 569539346 /nfs/dbraw/zinc/53/93/46/569539346.db2.gz ZBRKPDJBEIBXHP-UHFFFAOYSA-N 0 0 426.339 5.641 50 0 IKAARN O=C1CS[C@@H](c2ccc(OCc3ccccc3)cc2)c2cnn(Cc3ccccc3)c2N1 ZINC000009478608 569539354 /nfs/dbraw/zinc/53/93/54/569539354.db2.gz YUXWALYSBMRXAC-VWLOTQADSA-N 0 0 441.556 5.935 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000009481726 569539503 /nfs/dbraw/zinc/53/95/03/569539503.db2.gz DNKLAWPSIYKGKP-UHFFFAOYSA-N 0 0 426.498 5.185 50 0 IKAARN CCCCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000009483132 569539520 /nfs/dbraw/zinc/53/95/20/569539520.db2.gz CMAXUWQDDDTUNF-UHFFFAOYSA-N 0 0 448.951 5.277 50 0 IKAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccccc1OCc1ccccc1)CC(=O)N2 ZINC000009485852 569539619 /nfs/dbraw/zinc/53/96/19/569539619.db2.gz DCOOVNKFTGZMCV-OAQYLSRUSA-N 0 0 439.519 5.290 50 0 IKAARN CN(Cc1ccccc1)C(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000009485341 569539621 /nfs/dbraw/zinc/53/96/21/569539621.db2.gz FSOSEIGXIUFXBX-UHFFFAOYSA-N 0 0 433.891 5.151 50 0 IKAARN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccco3)sc2c1 ZINC000009487373 569539717 /nfs/dbraw/zinc/53/97/17/569539717.db2.gz SUYWZCDELFKWRK-HXUWFJFHSA-N 0 0 444.468 5.144 50 0 IKAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 ZINC000009487632 569539748 /nfs/dbraw/zinc/53/97/48/569539748.db2.gz WNDHLPYMBVOIQD-IBGZPJMESA-N 0 0 441.245 5.384 50 0 IKAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)c(C)c2)c1 ZINC000009489863 569540041 /nfs/dbraw/zinc/54/00/41/569540041.db2.gz RFUVUJRPSJWCGX-JLHYYAGUSA-N 0 0 447.332 5.636 50 0 IKAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c1OC ZINC000009489904 569540053 /nfs/dbraw/zinc/54/00/53/569540053.db2.gz IFYJAJAYPUZLAK-JLHYYAGUSA-N 0 0 436.870 5.366 50 0 IKAARN Cc1ccc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)c(C)c1 ZINC000009489887 569540119 /nfs/dbraw/zinc/54/01/19/569540119.db2.gz NQPFLSLNWZZSBD-QBFSEMIESA-N 0 0 431.333 5.935 50 0 IKAARN CCOC(=O)CCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000009490414 569540191 /nfs/dbraw/zinc/54/01/91/569540191.db2.gz NZACTMUFVNUOPE-UHFFFAOYSA-N 0 0 445.625 5.299 50 0 IKAARN CCCCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CSCc1ccccc1Cl)N2 ZINC000009490607 569540233 /nfs/dbraw/zinc/54/02/33/569540233.db2.gz RZYZXOYDBXGTKA-NRFANRHFSA-N 0 0 446.016 5.316 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000009491719 569540394 /nfs/dbraw/zinc/54/03/94/569540394.db2.gz SXPMZNQIJMSYNF-UWJYYQICSA-N 0 0 444.560 5.202 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C1CCCCC1 ZINC000009492181 569540535 /nfs/dbraw/zinc/54/05/35/569540535.db2.gz HUZGBBJCEOZVOQ-UHFFFAOYSA-N 0 0 438.572 5.016 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000009493016 569540706 /nfs/dbraw/zinc/54/07/06/569540706.db2.gz NITXBUAJWKNHPE-UHFFFAOYSA-N 0 0 446.601 5.274 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)COc3ccc(C(=O)c4ccccc4)cc3)s2)cs1 ZINC000009494885 569540932 /nfs/dbraw/zinc/54/09/32/569540932.db2.gz ZWZJGHGEUHEVLK-UHFFFAOYSA-N 0 0 448.569 5.106 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000009495160 569540984 /nfs/dbraw/zinc/54/09/84/569540984.db2.gz MRAIUDWUDZIJPU-SFHVURJKSA-N 0 0 429.701 5.687 50 0 IKAARN COc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)c3ccccc3F)c(Cl)nc2c1 ZINC000009495114 569541004 /nfs/dbraw/zinc/54/10/04/569541004.db2.gz WLXWLGOWJYLIDQ-NRFANRHFSA-N 0 0 449.869 5.620 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000009496731 569541219 /nfs/dbraw/zinc/54/12/19/569541219.db2.gz RCDJUAGCBUXGBT-UHFFFAOYSA-N 0 0 437.956 5.125 50 0 IKAARN CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000009497166 569541294 /nfs/dbraw/zinc/54/12/94/569541294.db2.gz VZTRJSLMGDMIDJ-UHFFFAOYSA-N 0 0 448.592 5.163 50 0 IKAARN CC(=O)c1ccc(N(C(=O)CCOc2cccc(C)c2)c2nc3ccccc3s2)cc1 ZINC000009498383 569541353 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IKAARN Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1 ZINC000009500528 569541542 /nfs/dbraw/zinc/54/15/42/569541542.db2.gz NQTRTAFQSDUNDQ-STQMWFEESA-N 0 0 436.364 5.710 50 0 IKAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 ZINC000009500509 569541574 /nfs/dbraw/zinc/54/15/74/569541574.db2.gz QMQJHVVUCGGWPF-AWEZNQCLSA-N 0 0 443.956 5.218 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2ccc(Br)cc2F)o1 ZINC000009500561 569541577 /nfs/dbraw/zinc/54/15/77/569541577.db2.gz CZJWOIZOWBMTAO-SNVBAGLBSA-N 0 0 427.270 5.543 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000009504676 569541825 /nfs/dbraw/zinc/54/18/25/569541825.db2.gz FZPGLTFKUUHMAB-AWEZNQCLSA-N 0 0 436.577 6.470 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)s2)cc1 ZINC000009507231 569541928 /nfs/dbraw/zinc/54/19/28/569541928.db2.gz HOWNBLHPTOMBCE-UHFFFAOYSA-N 0 0 439.393 5.936 50 0 IKAARN CC[C@H](NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)c1ccc(C)cc1 ZINC000009507620 569542070 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CCCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C ZINC000009512339 569542911 /nfs/dbraw/zinc/54/29/11/569542911.db2.gz IGPQBRHXHKILDW-UHFFFAOYSA-N 0 0 433.581 5.565 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccco1 ZINC000009512797 569543019 /nfs/dbraw/zinc/54/30/19/569543019.db2.gz LFKADMJJRGQSGP-AWEZNQCLSA-N 0 0 430.961 5.276 50 0 IKAARN COc1ccc2c(C)c(CCC(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)c(=O)oc2c1 ZINC000009513840 569543122 /nfs/dbraw/zinc/54/31/22/569543122.db2.gz ZHENNQKNDIKRSV-HHHXNRCGSA-N 0 0 441.527 5.257 50 0 IKAARN CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009514000 569543160 /nfs/dbraw/zinc/54/31/60/569543160.db2.gz ZYZQPTHQFVOLFT-UHFFFAOYSA-N 0 0 432.574 5.018 50 0 IKAARN CCCCCC1CCC(c2ccc(C(=O)Nc3nc(CC(=O)OCC)cs3)cc2)CC1 ZINC000009514344 569543206 /nfs/dbraw/zinc/54/32/06/569543206.db2.gz KBXKFCANBWEIMW-UHFFFAOYSA-N 0 0 442.625 6.355 50 0 IKAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H]1c1ccc(OC)cc1 ZINC000009515370 569543346 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Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3F)c2)cc1 ZINC000009527887 569544720 /nfs/dbraw/zinc/54/47/20/569544720.db2.gz GWSRWNVQKQTMAP-UHFFFAOYSA-N 0 0 446.526 5.308 50 0 IKAARN Cc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)cc2)cc1 ZINC000009529384 569544809 /nfs/dbraw/zinc/54/48/09/569544809.db2.gz GGTRDNYSACFFQE-UHFFFAOYSA-N 0 0 432.976 6.785 50 0 IKAARN O=C(CSc1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1ccc(F)cc1 ZINC000009529457 569544819 /nfs/dbraw/zinc/54/48/19/569544819.db2.gz RJTMOKJYESHJTA-UHFFFAOYSA-N 0 0 447.491 5.138 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1 ZINC000009529345 569544827 /nfs/dbraw/zinc/54/48/27/569544827.db2.gz DRIHNMJXIKUGCU-UHFFFAOYSA-N 0 0 433.508 5.418 50 0 IKAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009529410 569544829 /nfs/dbraw/zinc/54/48/29/569544829.db2.gz TZQIINSBOUPBCS-UHFFFAOYSA-N 0 0 443.572 5.896 50 0 IKAARN COc1ccc(-n2cc(-c3ccc(C)cc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000009529390 569544846 /nfs/dbraw/zinc/54/48/46/569544846.db2.gz JBSKUMFROAQUQB-UHFFFAOYSA-N 0 0 447.535 5.726 50 0 IKAARN O=C(CSc1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1cccc(F)c1 ZINC000009529456 569544859 /nfs/dbraw/zinc/54/48/59/569544859.db2.gz OJBQGARCAUUGEI-UHFFFAOYSA-N 0 0 447.491 5.138 50 0 IKAARN CSCC[C@@H](Nc1ncnc2sc(-c3ccccc3)cc21)c1nnc2ccccn21 ZINC000009530650 569545000 /nfs/dbraw/zinc/54/50/00/569545000.db2.gz IOVZYJIHAQZKOP-QGZVFWFLSA-N 0 0 432.578 5.307 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000009531295 569545118 /nfs/dbraw/zinc/54/51/18/569545118.db2.gz MUCKECRIZRAIKH-FPOVZHCZSA-N 0 0 440.591 6.723 50 0 IKAARN O=C([O-])c1c(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000009531308 569545163 /nfs/dbraw/zinc/54/51/63/569545163.db2.gz UCLLSQBAXPTLIZ-UHFFFAOYSA-N 0 0 436.914 5.513 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]Cc1ccc(C)cc1 ZINC000009531742 569545197 /nfs/dbraw/zinc/54/51/97/569545197.db2.gz JKONNGPVMXKKAQ-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3cccc(Cl)c3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000009531693 569545200 /nfs/dbraw/zinc/54/52/00/569545200.db2.gz MYKMUFVBSQOBKW-UHFFFAOYSA-N 0 0 448.950 5.648 50 0 IKAARN COc1ccc2c(C[NH2+]CCC3=CCCCC3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009532018 569545211 /nfs/dbraw/zinc/54/52/11/569545211.db2.gz PULPXBFFMRLJQW-UHFFFAOYSA-N 0 0 436.527 5.516 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccc(C)cc3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009531927 569545230 /nfs/dbraw/zinc/54/52/30/569545230.db2.gz CIEOCYJVTRLBAH-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1OC ZINC000009532263 569545298 /nfs/dbraw/zinc/54/52/98/569545298.db2.gz ANQHBLJYVGEZNA-SFHVURJKSA-N 0 0 437.590 5.774 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccccc3C)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532498 569545301 /nfs/dbraw/zinc/54/53/01/569545301.db2.gz SKPOHGNHPXADPW-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccccc3F)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532427 569545309 /nfs/dbraw/zinc/54/53/09/569545309.db2.gz BBJMXKHKKGXALK-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009532557 569545367 /nfs/dbraw/zinc/54/53/67/569545367.db2.gz LZMUXZIQCMGZQL-UHFFFAOYSA-N 0 0 446.522 5.388 50 0 IKAARN Cc1ccc2c(C[NH2+]CCc3ccccc3Cl)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000009532919 569545377 /nfs/dbraw/zinc/54/53/77/569545377.db2.gz BORGBRWRDCLEJC-UHFFFAOYSA-N 0 0 432.951 5.682 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532517 569545385 /nfs/dbraw/zinc/54/53/85/569545385.db2.gz POXDPYHVEQCVFF-SFHVURJKSA-N 0 0 446.522 5.429 50 0 IKAARN Cc1ccc2c(C[NH2+]Cc3ccc(OC(C)C)cc3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000009532955 569545436 /nfs/dbraw/zinc/54/54/36/569545436.db2.gz HHZFHRHOLCJRDA-UHFFFAOYSA-N 0 0 442.559 5.773 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009532949 569545447 /nfs/dbraw/zinc/54/54/47/569545447.db2.gz BWMCXTMBYJKDIQ-UHFFFAOYSA-N 0 0 444.600 5.750 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])c1OC ZINC000009532936 569545451 /nfs/dbraw/zinc/54/54/51/569545451.db2.gz BZXMTMIDHBZMKW-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN COc1cc(-c2nnc(SCc3cc(C)on3)n2C2CCCCC2)cc(OC)c1OC ZINC000009534516 569545465 /nfs/dbraw/zinc/54/54/65/569545465.db2.gz QHSZBUWESGGPPR-UHFFFAOYSA-N 0 0 444.557 5.065 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1cc(C)cc(C)c1 ZINC000009539431 569545659 /nfs/dbraw/zinc/54/56/59/569545659.db2.gz XGGSFWMYWGZOKN-UHFFFAOYSA-N 0 0 444.940 5.019 50 0 IKAARN O=C(Nc1cc(C(=O)OCc2nc3ccccc3s2)ccc1Cl)c1cccs1 ZINC000009540433 569545777 /nfs/dbraw/zinc/54/57/77/569545777.db2.gz MFZHJOLADUKYMQ-UHFFFAOYSA-N 0 0 428.922 5.621 50 0 IKAARN CCOc1ccc2nc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)sc2c1 ZINC000009540949 569545871 /nfs/dbraw/zinc/54/58/71/569545871.db2.gz YBGIRRWYMCWSQV-UHFFFAOYSA-N 0 0 442.393 5.026 50 0 IKAARN Cc1cc2nc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)sc2cc1C ZINC000009542781 569545932 /nfs/dbraw/zinc/54/59/32/569545932.db2.gz ZSRRXCLYXPSDJH-UHFFFAOYSA-N 0 0 429.570 6.370 50 0 IKAARN CCCc1ccc(-c2ccc(C(=O)Oc3ccc(C4CCC(CCC)CC4)cc3)cc2)nc1 ZINC000009543696 569545970 /nfs/dbraw/zinc/54/59/70/569545970.db2.gz DAUUGYHQQXYYDA-UHFFFAOYSA-N 0 0 441.615 7.994 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000009545308 569546071 /nfs/dbraw/zinc/54/60/71/569546071.db2.gz KQMVGEQOBOPFMP-UHFFFAOYSA-N 0 0 442.540 5.431 50 0 IKAARN CC1CCC(N2CC(=O)N(CCc3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)C2=O)CC1 ZINC000009546210 569546275 /nfs/dbraw/zinc/54/62/75/569546275.db2.gz XWCRGMGFOOCVPA-VJTJOGOTSA-N 0 0 442.962 5.012 50 0 IKAARN CC1CCC(N2CC(=O)N(CCc3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2=O)CC1 ZINC000009546205 569546287 /nfs/dbraw/zinc/54/62/87/569546287.db2.gz LCTXYHPGFORJQQ-PZYUZEHPSA-N 0 0 442.962 5.012 50 0 IKAARN CC1CCC(N2CC(=O)N(CCc3ccccc3Cl)[C@H](c3ccc(F)cc3)C2=O)CC1 ZINC000009546204 569546289 /nfs/dbraw/zinc/54/62/89/569546289.db2.gz LCTXYHPGFORJQQ-INYXTNAKSA-N 0 0 442.962 5.012 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000009546792 569546298 /nfs/dbraw/zinc/54/62/98/569546298.db2.gz FAJGDCMPSXJDNF-UHFFFAOYSA-N 0 0 449.399 5.143 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009546686 569546329 /nfs/dbraw/zinc/54/63/29/569546329.db2.gz RZOPSCJJKWQXSB-UHFFFAOYSA-N 0 0 435.578 5.038 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3c2C)cc1 ZINC000009546994 569546357 /nfs/dbraw/zinc/54/63/57/569546357.db2.gz YJYLOPSTHKYRBL-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN Cc1cc2oc(=O)c(CC(=O)NCCc3ccc(O)cc3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000009547754 569546453 /nfs/dbraw/zinc/54/64/53/569546453.db2.gz XVJOEDIAGWLZHD-UHFFFAOYSA-N 0 0 447.531 5.061 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)CSc3ncnc4sc(C)c(C)c43)c2)cs1 ZINC000009548747 569546480 /nfs/dbraw/zinc/54/64/80/569546480.db2.gz DBZMRMFXDNQPGA-UHFFFAOYSA-N 0 0 426.592 5.471 50 0 IKAARN CC(C)(C)c1ccc(OC(=O)c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000009553696 569546726 /nfs/dbraw/zinc/54/67/26/569546726.db2.gz WXPRXIGEXFPUHL-UHFFFAOYSA-N 0 0 430.544 6.720 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000009553420 569546735 /nfs/dbraw/zinc/54/67/35/569546735.db2.gz PFDHLNGHGPKMPW-XKZIYDEJSA-N 0 0 431.463 5.456 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000009553913 569546795 /nfs/dbraw/zinc/54/67/95/569546795.db2.gz GABTVQWWHRMMLS-MHZLTWQESA-N 0 0 447.962 5.779 50 0 IKAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009556572 569546836 /nfs/dbraw/zinc/54/68/36/569546836.db2.gz GMKFUSDAUBCYDZ-HXUWFJFHSA-N 0 0 432.501 5.015 50 0 IKAARN CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000009559661 569546992 /nfs/dbraw/zinc/54/69/92/569546992.db2.gz BCZWMYHAKCCQKQ-LOSJGSFVSA-N 0 0 439.515 5.116 50 0 IKAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc21 ZINC000009559629 569547001 /nfs/dbraw/zinc/54/70/01/569547001.db2.gz OSNMXJZTSMKRGL-PKTZIBPZSA-N 0 0 447.897 5.510 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc21 ZINC000009559674 569547002 /nfs/dbraw/zinc/54/70/02/569547002.db2.gz UVLWUAPIAHBPAS-RPBOFIJWSA-N 0 0 439.515 5.034 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc21 ZINC000009559671 569547022 /nfs/dbraw/zinc/54/70/22/569547022.db2.gz HDRKFTLQPXOILD-DQEYMECFSA-N 0 0 439.515 5.116 50 0 IKAARN Cc1nnc2c(Nc3ccc(C)cc3Cl)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000009561356 569547122 /nfs/dbraw/zinc/54/71/22/569547122.db2.gz UMMQIUUEVSYGSC-UHFFFAOYSA-N 0 0 427.895 5.522 50 0 IKAARN COc1ccc2nc3sc(C(=O)Nc4ccc(Br)cc4C)cc3cc2c1 ZINC000009561538 569547162 /nfs/dbraw/zinc/54/71/62/569547162.db2.gz PKRMDYXVQFRDFA-UHFFFAOYSA-N 0 0 427.323 5.781 50 0 IKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)sc3nc2c1 ZINC000009561512 569547167 /nfs/dbraw/zinc/54/71/67/569547167.db2.gz BCNREBMXKBXSGH-UHFFFAOYSA-N 0 0 426.497 6.503 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccccc1CSc1nnc(-c2ccccc2)o1 ZINC000009561790 569547186 /nfs/dbraw/zinc/54/71/86/569547186.db2.gz GPPQQNRRQHUTCR-UHFFFAOYSA-N 0 0 435.936 5.612 50 0 IKAARN Cc1ccc(OCc2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)n[nH]2)cc1 ZINC000009562105 569547245 /nfs/dbraw/zinc/54/72/45/569547245.db2.gz FBLFLKQWEGNDFY-GFCCVEGCSA-N 0 0 437.352 5.118 50 0 IKAARN C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 ZINC000009562230 569547306 /nfs/dbraw/zinc/54/73/06/569547306.db2.gz QZZNVAKDIZHTPN-HRAATJIYSA-N 0 0 431.565 5.548 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1c[nH]c2ccccc21 ZINC000009562913 569547399 /nfs/dbraw/zinc/54/73/99/569547399.db2.gz JGJQDHWEHOWGRI-SFHVURJKSA-N 0 0 445.592 5.217 50 0 IKAARN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cn3ccccc3n2)cc1 ZINC000009568746 569547419 /nfs/dbraw/zinc/54/74/19/569547419.db2.gz HGGJEJZOWIHWFK-UHFFFAOYSA-N 0 0 431.952 5.452 50 0 IKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(C(F)(F)F)cc4)sc3n2)cc1 ZINC000009569648 569547658 /nfs/dbraw/zinc/54/76/58/569547658.db2.gz GPUVZDNAWAFNIB-UHFFFAOYSA-N 0 0 431.439 5.651 50 0 IKAARN COc1cccc(Nc2nc(NCc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573610 569547902 /nfs/dbraw/zinc/54/79/02/569547902.db2.gz FRVNZWUQGJMIKZ-UHFFFAOYSA-N 0 0 436.519 5.488 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000009575457 569547975 /nfs/dbraw/zinc/54/79/75/569547975.db2.gz LROYXIMQYZYMNT-XMMPIXPASA-N 0 0 435.545 5.637 50 0 IKAARN COCCN(Cc1cccs1)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000009577945 569548270 /nfs/dbraw/zinc/54/82/70/569548270.db2.gz XHURFSFFSFLQJP-QFIPXVFZSA-N 0 0 433.577 5.220 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2cccc3ccccc32)nn1 ZINC000009578216 569548279 /nfs/dbraw/zinc/54/82/79/569548279.db2.gz GVQFQPCELDATPF-UHFFFAOYSA-N 0 0 443.572 7.160 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cccc3ccccc32)nn1 ZINC000009578083 569548290 /nfs/dbraw/zinc/54/82/90/569548290.db2.gz JDEDWDYOTHMLHC-UHFFFAOYSA-N 0 0 431.611 7.083 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)c2ccc(C)cc2)nn1 ZINC000009578214 569548299 /nfs/dbraw/zinc/54/82/99/569548299.db2.gz ONDWUIPNUNKPBM-UHFFFAOYSA-N 0 0 435.549 5.998 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2c(F)cccc2Cl)nn1 ZINC000009578112 569548305 /nfs/dbraw/zinc/54/83/05/569548305.db2.gz AHMMTNYOJNDDNS-UHFFFAOYSA-N 0 0 433.986 6.722 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)c1 ZINC000009578707 569548378 /nfs/dbraw/zinc/54/83/78/569548378.db2.gz NJRVOFFXSFPFDT-QFIPXVFZSA-N 0 0 448.617 5.556 50 0 IKAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009578942 569548454 /nfs/dbraw/zinc/54/84/54/569548454.db2.gz UTQDLRUAEVHHKN-QFIPXVFZSA-N 0 0 444.535 5.099 50 0 IKAARN CCc1cccc2c(-c3csc(CN(C)CC(=O)Nc4c(C)cc(C)cc4C)n3)c[nH]c21 ZINC000009579743 569548580 /nfs/dbraw/zinc/54/85/80/569548580.db2.gz JYDAZRVIKQKTHU-UHFFFAOYSA-N 0 0 446.620 5.850 50 0 IKAARN COc1ccc([C@H]2CCCN2Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c(OC)c1 ZINC000009579834 569548605 /nfs/dbraw/zinc/54/86/05/569548605.db2.gz BTVAJIARUNZESF-HXUWFJFHSA-N 0 0 447.560 5.006 50 0 IKAARN CCc1ccc(N(C(C)=O)c2nc(CSc3ncnc4sccc43)cs2)cc1 ZINC000009579990 569548658 /nfs/dbraw/zinc/54/86/58/569548658.db2.gz YZQHXCKAVWYUQB-UHFFFAOYSA-N 0 0 426.592 5.687 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@H](C)Oc2ccccc2F)o1 ZINC000009580874 569548858 /nfs/dbraw/zinc/54/88/58/569548858.db2.gz MQQOTKMBSLWEGF-KBPBESRZSA-N 0 0 425.485 5.502 50 0 IKAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009581883 569549174 /nfs/dbraw/zinc/54/91/74/569549174.db2.gz XAXZGOOTOBRTFS-KRWDZBQOSA-N 0 0 444.564 5.102 50 0 IKAARN Cc1ccc(-c2noc(CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C(C)C)n2)cc1 ZINC000009582022 569549184 /nfs/dbraw/zinc/54/91/84/569549184.db2.gz PDCQSYSAWGANGV-UHFFFAOYSA-N 0 0 427.932 5.293 50 0 IKAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1-c1ccccc1 ZINC000009582101 569549196 /nfs/dbraw/zinc/54/91/96/569549196.db2.gz DJNPXUALISDKPF-UHFFFAOYSA-N 0 0 431.923 6.108 50 0 IKAARN CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccccc1 ZINC000009582876 569549244 /nfs/dbraw/zinc/54/92/44/569549244.db2.gz RHHMEBKRLDMOHB-UHFFFAOYSA-N 0 0 449.605 5.203 50 0 IKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccc3c(c2)OCCCO3)c1 ZINC000009583890 569549348 /nfs/dbraw/zinc/54/93/48/569549348.db2.gz JVIWEMATYURUCO-UHFFFAOYSA-N 0 0 448.544 5.139 50 0 IKAARN CC(C)c1ccccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000009584432 569549374 /nfs/dbraw/zinc/54/93/74/569549374.db2.gz JYFSTVLAAJPBNT-UHFFFAOYSA-N 0 0 428.579 5.474 50 0 IKAARN O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)Nc1ccc(F)c(Cl)c1 ZINC000009584568 569549425 /nfs/dbraw/zinc/54/94/25/569549425.db2.gz PVYPYBZHPQZQSH-UHFFFAOYSA-N 0 0 446.381 5.840 50 0 IKAARN O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 ZINC000009584599 569549441 /nfs/dbraw/zinc/54/94/41/569549441.db2.gz LKIQAOAVBKZVHD-UHFFFAOYSA-N 0 0 426.831 5.125 50 0 IKAARN O=C(CSc1ncnc2ccccc21)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000009584591 569549450 /nfs/dbraw/zinc/54/94/50/569549450.db2.gz ODABLPDZDYTATI-UHFFFAOYSA-N 0 0 446.601 5.291 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 ZINC000009584572 569549465 /nfs/dbraw/zinc/54/94/65/569549465.db2.gz DZMMPEQVOAOVNI-UHFFFAOYSA-N 0 0 437.999 5.446 50 0 IKAARN O=C(CSc1ccccc1C(=O)NC1CCCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000009585393 569549564 /nfs/dbraw/zinc/54/95/64/569549564.db2.gz PESWYRYAVXUBLY-UHFFFAOYSA-N 0 0 440.653 5.316 50 0 IKAARN CC(=O)Oc1cc2ccccc2cc1C1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000009586126 569549599 /nfs/dbraw/zinc/54/95/99/569549599.db2.gz IKVOVRWBXFZCIT-JOCHJYFZSA-N 0 0 443.286 5.311 50 0 IKAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009585968 569549601 /nfs/dbraw/zinc/54/96/01/569549601.db2.gz STXRZUJINFGUCX-UHFFFAOYSA-N 0 0 441.453 5.028 50 0 IKAARN O=C(CSc1nc2ccc(Cl)cc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009586227 569549694 /nfs/dbraw/zinc/54/96/94/569549694.db2.gz SJFIDPDQNXMIRN-CYBMUJFWSA-N 0 0 443.981 5.589 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 ZINC000009586876 569549711 /nfs/dbraw/zinc/54/97/11/569549711.db2.gz FHHWVNPMBJWNKG-UHFFFAOYSA-N 0 0 440.638 5.153 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1Cl ZINC000009586674 569549757 /nfs/dbraw/zinc/54/97/57/569549757.db2.gz LGNKNQZWBZZVOG-UHFFFAOYSA-N 0 0 439.393 5.496 50 0 IKAARN C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000009587182 569549774 /nfs/dbraw/zinc/54/97/74/569549774.db2.gz UHRLRLKLVPLCBA-QGZVFWFLSA-N 0 0 426.545 5.369 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)cc1 ZINC000009587122 569549790 /nfs/dbraw/zinc/54/97/90/569549790.db2.gz ORIYKYFIEPDPJY-UHFFFAOYSA-N 0 0 431.970 5.543 50 0 IKAARN Cc1ccc(C)c(NC(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1 ZINC000009587656 569549811 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/nfs/dbraw/zinc/55/23/64/569552364.db2.gz DDGXXEGNCNPUPF-UHFFFAOYSA-N 0 0 432.499 5.122 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CCc1c(C)nc2cc(-c3cccc(F)c3)nn2c1C ZINC000009609679 569552366 /nfs/dbraw/zinc/55/23/66/569552366.db2.gz ISVDNTABAZNYFN-UHFFFAOYSA-N 0 0 436.918 5.685 50 0 IKAARN CCc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)c1 ZINC000009609470 569552368 /nfs/dbraw/zinc/55/23/68/569552368.db2.gz YCSMENJHNXKTKR-UHFFFAOYSA-N 0 0 432.955 5.800 50 0 IKAARN Cc1cccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)c1 ZINC000009609550 569552378 /nfs/dbraw/zinc/55/23/78/569552378.db2.gz KKLYBVQXIYKTFZ-UHFFFAOYSA-N 0 0 446.982 5.266 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)Nc1ccc(F)cc1F ZINC000009609483 569552381 /nfs/dbraw/zinc/55/23/81/569552381.db2.gz GVEVGLPFKJRNBE-UHFFFAOYSA-N 0 0 440.881 5.516 50 0 IKAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009609619 569552386 /nfs/dbraw/zinc/55/23/86/569552386.db2.gz ALKXWWJFOBKPLK-UHFFFAOYSA-N 0 0 440.881 5.516 50 0 IKAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3cc(C)cc(C)c3)c(C)n2n1 ZINC000009609809 569552417 /nfs/dbraw/zinc/55/24/17/569552417.db2.gz QZUAMVGTQIAXLQ-UHFFFAOYSA-N 0 0 428.536 5.210 50 0 IKAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3cc(Cl)ccc3C)c(C)n2n1 ZINC000009609813 569552435 /nfs/dbraw/zinc/55/24/35/569552435.db2.gz GAYJVYHJQQQCHE-UHFFFAOYSA-N 0 0 448.954 5.555 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)N[C@H](C)CCc3ccccc3)c(C)c12 ZINC000009610217 569552455 /nfs/dbraw/zinc/55/24/55/569552455.db2.gz SXIGIEONDNIZIF-LJQANCHMSA-N 0 0 440.591 5.416 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(C)cc3Cl)c2C)c1-c1ccccc1 ZINC000009609886 569552461 /nfs/dbraw/zinc/55/24/61/569552461.db2.gz YDSLIOPXZAWOKN-UHFFFAOYSA-N 0 0 432.955 5.855 50 0 IKAARN CCn1c(=O)c2cc(C(=O)Nc3ccc(C)cc3Br)sc2c2ccccc21 ZINC000009611100 569552703 /nfs/dbraw/zinc/55/27/03/569552703.db2.gz QDYQELFUOOLEQM-UHFFFAOYSA-N 0 0 441.350 5.559 50 0 IKAARN CCN(CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1cccc(C)c1 ZINC000009611170 569552768 /nfs/dbraw/zinc/55/27/68/569552768.db2.gz DJQVHKLYRKLHGQ-UHFFFAOYSA-N 0 0 434.561 5.271 50 0 IKAARN Cc1cc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)ccc1Br ZINC000009612115 569552807 /nfs/dbraw/zinc/55/28/07/569552807.db2.gz ATCZAFZLNHITLV-FQEVSTJZSA-N 0 0 427.729 6.182 50 0 IKAARN C[C@@H](CCc1ccco1)NC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000009612229 569552843 /nfs/dbraw/zinc/55/28/43/569552843.db2.gz BCMYPISHELKTIF-HNNXBMFYSA-N 0 0 428.985 5.590 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)nc2c1 ZINC000009613452 569553034 /nfs/dbraw/zinc/55/30/34/569553034.db2.gz KNPFMZNYCUUKBY-UHFFFAOYSA-N 0 0 429.851 5.365 50 0 IKAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1 ZINC000009614227 569553129 /nfs/dbraw/zinc/55/31/29/569553129.db2.gz POHPAQZSWLGPTH-QHCPKHFHSA-N 0 0 429.520 5.548 50 0 IKAARN Cc1ccc(C)c(Cn2c3sc4c(c3c(=O)n(CCc3ccccc3)c2=O)CCCC4)c1 ZINC000009615663 569553230 /nfs/dbraw/zinc/55/32/30/569553230.db2.gz IJBCOJLAFTXUHK-UHFFFAOYSA-N 0 0 444.600 5.011 50 0 IKAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)cc2Cl)s1 ZINC000009615726 569553234 /nfs/dbraw/zinc/55/32/34/569553234.db2.gz QGOWWDRKRZQWHQ-UHFFFAOYSA-N 0 0 438.937 5.204 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(NC[C@H]4CCCO4)s3)c12 ZINC000009619897 569553419 /nfs/dbraw/zinc/55/34/19/569553419.db2.gz FUTCSBZPKJEUEV-CQSZACIVSA-N 0 0 441.607 5.260 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(SC(C)C)cc1 ZINC000009620397 569553420 /nfs/dbraw/zinc/55/34/20/569553420.db2.gz CXOSCXDMLYETEH-UHFFFAOYSA-N 0 0 425.575 6.345 50 0 IKAARN Clc1cccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000009622638 569553458 /nfs/dbraw/zinc/55/34/58/569553458.db2.gz PRBDCKHZOABIFT-UHFFFAOYSA-N 0 0 432.959 6.347 50 0 IKAARN Clc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 ZINC000009622576 569553459 /nfs/dbraw/zinc/55/34/59/569553459.db2.gz SLNPRGANMFBNGV-UHFFFAOYSA-N 0 0 440.938 5.867 50 0 IKAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccccc1C(F)(F)F ZINC000009627881 569553533 /nfs/dbraw/zinc/55/35/33/569553533.db2.gz AKPMLMPYNNTFIV-UHFFFAOYSA-N 0 0 439.846 5.249 50 0 IKAARN C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000009630368 569553626 /nfs/dbraw/zinc/55/36/26/569553626.db2.gz MBQLZJRULNECBO-GOSISDBHSA-N 0 0 447.494 5.634 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c1Cl ZINC000009631227 569553756 /nfs/dbraw/zinc/55/37/56/569553756.db2.gz JTMYRHFRFSQOOC-UHFFFAOYSA-N 0 0 429.712 5.360 50 0 IKAARN CSc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009632356 569553984 /nfs/dbraw/zinc/55/39/84/569553984.db2.gz RTWCRRCZNPKWRZ-UHFFFAOYSA-N 0 0 431.439 5.327 50 0 IKAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009632353 569553988 /nfs/dbraw/zinc/55/39/88/569553988.db2.gz XJVHLMUTEUNRTC-UHFFFAOYSA-N 0 0 426.973 5.446 50 0 IKAARN CC(C)NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1 ZINC000009632672 569554069 /nfs/dbraw/zinc/55/40/69/569554069.db2.gz WHINGJQYNATYRH-UHFFFAOYSA-N 0 0 438.940 5.222 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000009632754 569554085 /nfs/dbraw/zinc/55/40/85/569554085.db2.gz NBJJFXQDMYZZMD-UHFFFAOYSA-N 0 0 428.876 5.051 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(F)cc1Cl)oc1ccccc12 ZINC000009632941 569554138 /nfs/dbraw/zinc/55/41/38/569554138.db2.gz LITDAIWDNDKJBV-LBPRGKRZSA-N 0 0 441.842 5.571 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)Nc1ccccc1C(F)(F)F ZINC000009632905 569554151 /nfs/dbraw/zinc/55/41/51/569554151.db2.gz WXWYUILITONWEP-UHFFFAOYSA-N 0 0 442.437 5.318 50 0 IKAARN Cc1ccc(NC(=O)CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000009633019 569554171 /nfs/dbraw/zinc/55/41/71/569554171.db2.gz GAIYMTSLOFJPDQ-JCMHNJIXSA-N 0 0 445.519 5.250 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009633034 569554176 /nfs/dbraw/zinc/55/41/76/569554176.db2.gz KRHDUETZLCWVOY-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN Cc1cccc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2C)c1 ZINC000009634986 569554556 /nfs/dbraw/zinc/55/45/56/569554556.db2.gz IUSYTQHOMVARLN-NRFANRHFSA-N 0 0 432.524 5.402 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3nnc(-c4ccccc4)o3)c2n1 ZINC000009635141 569554635 /nfs/dbraw/zinc/55/46/35/569554635.db2.gz IGAZTJOKNLXIFN-UHFFFAOYSA-N 0 0 444.274 5.022 50 0 IKAARN Cc1cc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2ccccc12 ZINC000009635448 569554689 /nfs/dbraw/zinc/55/46/89/569554689.db2.gz JANOJGCKNNDEPP-OAQYLSRUSA-N 0 0 434.561 5.160 50 0 IKAARN Cc1cc(C)c(C)c(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 ZINC000009636658 569554730 /nfs/dbraw/zinc/55/47/30/569554730.db2.gz BPSFMHCYBQGXQV-UHFFFAOYSA-N 0 0 427.932 5.131 50 0 IKAARN CSc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 ZINC000009636086 569554754 /nfs/dbraw/zinc/55/47/54/569554754.db2.gz PIVUDBMLEXOITO-UHFFFAOYSA-N 0 0 430.554 6.015 50 0 IKAARN Cc1c(-c2nsc(NC(=O)c3ccc(C)c(C)c3)n2)nnn1-c1ccc(C(C)C)cc1 ZINC000009638741 569555018 /nfs/dbraw/zinc/55/50/18/569555018.db2.gz KCSIGSDZJUXWKE-UHFFFAOYSA-N 0 0 432.553 5.087 50 0 IKAARN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000009639005 569555069 /nfs/dbraw/zinc/55/50/69/569555069.db2.gz ZJEIBJVQIYKEBE-UHFFFAOYSA-N 0 0 434.605 6.002 50 0 IKAARN Fc1ccc(-n2c(CN3CCCCC3)nnc2SCc2nc3ccccc3s2)cc1 ZINC000009638927 569555114 /nfs/dbraw/zinc/55/51/14/569555114.db2.gz VGQQENRYIDUWSY-UHFFFAOYSA-N 0 0 439.585 5.294 50 0 IKAARN C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009639435 569555176 /nfs/dbraw/zinc/55/51/76/569555176.db2.gz LBACOJHLPVQPLM-SECBINFHSA-N 0 0 449.533 5.054 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1Cl ZINC000009639504 569555194 /nfs/dbraw/zinc/55/51/94/569555194.db2.gz MYHZLMORRWUEPZ-NSHDSACASA-N 0 0 434.974 5.123 50 0 IKAARN CCOC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009639672 569555209 /nfs/dbraw/zinc/55/52/09/569555209.db2.gz BVFPTYVCTRLKAA-UHFFFAOYSA-N 0 0 447.963 5.125 50 0 IKAARN CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009639714 569555227 /nfs/dbraw/zinc/55/52/27/569555227.db2.gz JFVGXLBARVKIOE-UHFFFAOYSA-N 0 0 441.572 5.287 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1Cl ZINC000009639816 569555269 /nfs/dbraw/zinc/55/52/69/569555269.db2.gz GIHLZNFHUXKTCL-DEOSSOPVSA-N 0 0 449.938 5.267 50 0 IKAARN CCc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000009683074 569560320 /nfs/dbraw/zinc/56/03/20/569560320.db2.gz PCIAHMDPKLZGTM-UHFFFAOYSA-N 0 0 427.392 6.926 50 0 IKAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 ZINC000009640208 569555365 /nfs/dbraw/zinc/55/53/65/569555365.db2.gz CHCHHYMGNQUFET-LJQANCHMSA-N 0 0 428.579 5.107 50 0 IKAARN COC(=O)c1c(SCc2ccc(F)cc2)nc2ccccc2c1OCc1ccc(C)cc1 ZINC000009640304 569555395 /nfs/dbraw/zinc/55/53/95/569555395.db2.gz AFSGBBBOFKZIBK-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H](c2cccs2)c2ccccc2)n1 ZINC000009640363 569555408 /nfs/dbraw/zinc/55/54/08/569555408.db2.gz MFDIWERLWPLVNU-QHCPKHFHSA-N 0 0 431.586 5.511 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccccc3C)o2)c2ccccc2)c1 ZINC000009641690 569555753 /nfs/dbraw/zinc/55/57/53/569555753.db2.gz GUGQTRRKAWKTQL-QFIPXVFZSA-N 0 0 429.545 6.134 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCCc1ccccc1 ZINC000009642762 569555835 /nfs/dbraw/zinc/55/58/35/569555835.db2.gz NWQPZVKGFHEUGD-UHFFFAOYSA-N 0 0 441.575 5.353 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000009642693 569555843 /nfs/dbraw/zinc/55/58/43/569555843.db2.gz SCWSTNPXBGIWFX-UHFFFAOYSA-N 0 0 429.520 5.000 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCc1cccs1 ZINC000009642909 569555899 /nfs/dbraw/zinc/55/58/99/569555899.db2.gz OAAJKLMEUIYTRK-UHFFFAOYSA-N 0 0 433.577 5.024 50 0 IKAARN CCOc1cc(Br)c(CSc2nnc(-c3ccco3)o2)cc1OCC ZINC000009644193 569555994 /nfs/dbraw/zinc/55/59/94/569555994.db2.gz QSAVRWSXSAJTQU-UHFFFAOYSA-N 0 0 425.304 5.182 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cccs4)cc3)sc2c1 ZINC000009644096 569556022 /nfs/dbraw/zinc/55/60/22/569556022.db2.gz LETLIABXUGPYEX-IBGZPJMESA-N 0 0 447.585 5.577 50 0 IKAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009644670 569556091 /nfs/dbraw/zinc/55/60/91/569556091.db2.gz CPTZCMANOXGMHN-UHFFFAOYSA-N 0 0 442.563 5.152 50 0 IKAARN Fc1ccc([C@@H](Nc2ccc3c(c2)OCCO3)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009645560 569556116 /nfs/dbraw/zinc/55/61/16/569556116.db2.gz SVKPGPYGGTZWOJ-OAQYLSRUSA-N 0 0 437.858 5.502 50 0 IKAARN Fc1ccc([C@H](Nc2ccc3c(c2)OCCO3)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009645563 569556159 /nfs/dbraw/zinc/55/61/59/569556159.db2.gz SVKPGPYGGTZWOJ-NRFANRHFSA-N 0 0 437.858 5.502 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCC4)n2Cc2ccco2)c1 ZINC000009646120 569556201 /nfs/dbraw/zinc/55/62/01/569556201.db2.gz HAFJREPPHANYJO-UHFFFAOYSA-N 0 0 445.544 5.059 50 0 IKAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC000009647025 569556361 /nfs/dbraw/zinc/55/63/61/569556361.db2.gz KDXPYIVILBJONE-JOCHJYFZSA-N 0 0 426.545 5.046 50 0 IKAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC000009647023 569556365 /nfs/dbraw/zinc/55/63/65/569556365.db2.gz KDXPYIVILBJONE-QFIPXVFZSA-N 0 0 426.545 5.046 50 0 IKAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc12 ZINC000009647268 569556396 /nfs/dbraw/zinc/55/63/96/569556396.db2.gz RTRLRCHNUGHGSH-UHFFFAOYSA-N 0 0 448.596 5.299 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc(=O)c3c2)cc1 ZINC000009660211 569556665 /nfs/dbraw/zinc/55/66/65/569556665.db2.gz UPLJXQCPPKLCTP-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 biogenic IKAARN Cc1ccc2nc(NC(=O)c3ccc(COc4cccc5c4OC(C)(C)C5)cc3)sc2c1 ZINC000009659771 569556674 /nfs/dbraw/zinc/55/66/74/569556674.db2.gz WUKBGOOOFRKSMB-UHFFFAOYSA-N 0 0 444.556 6.150 50 0 IKAARN Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 ZINC000009660232 569556685 /nfs/dbraw/zinc/55/66/85/569556685.db2.gz HTWQVJVISLRELB-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)c1 ZINC000009660244 569556753 /nfs/dbraw/zinc/55/67/53/569556753.db2.gz HSVJOQJREVYQMF-UHFFFAOYSA-N 0 0 443.499 5.853 50 0 biogenic IKAARN CC(=O)Nc1ccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)cc1 ZINC000009663260 569557191 /nfs/dbraw/zinc/55/71/91/569557191.db2.gz AHEUQWQLPPJXQD-UHFFFAOYSA-N 0 0 441.556 5.925 50 0 IKAARN Cc1cc(C)cc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c1 ZINC000009663649 569557241 /nfs/dbraw/zinc/55/72/41/569557241.db2.gz XOJJYINRDHFXRV-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN Cc1cc(C)cc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000009663645 569557252 /nfs/dbraw/zinc/55/72/52/569557252.db2.gz OEBNQAGNQPPONI-UHFFFAOYSA-N 0 0 444.915 5.431 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2C2CCCC2)cc1 ZINC000009663943 569557326 /nfs/dbraw/zinc/55/73/26/569557326.db2.gz OBLRELZVUPHYKK-UHFFFAOYSA-N 0 0 440.535 5.128 50 0 IKAARN CCc1ccccc1N1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2S1(=O)=O ZINC000009663832 569557328 /nfs/dbraw/zinc/55/73/28/569557328.db2.gz KQIMJBHHORQKGP-UHFFFAOYSA-N 0 0 444.915 5.377 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)Nc1ccccc1 ZINC000009664166 569557355 /nfs/dbraw/zinc/55/73/55/569557355.db2.gz DXOFNOUDDDPDPL-UHFFFAOYSA-N 0 0 434.952 5.378 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000009664159 569557362 /nfs/dbraw/zinc/55/73/62/569557362.db2.gz YTFLLINAVWJRGV-UHFFFAOYSA-N 0 0 448.979 5.686 50 0 IKAARN CCc1ccc(N[C@@H](CC(=O)c2ccc(F)cc2)c2ccc(Br)cc2)cc1 ZINC000016161799 569557413 /nfs/dbraw/zinc/55/74/13/569557413.db2.gz ZGHZZVCQKIQRDN-QFIPXVFZSA-N 0 0 426.329 6.577 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)N(Cc2cccc(F)c2)c2ccccc2S1(=O)=O ZINC000009664397 569557416 /nfs/dbraw/zinc/55/74/16/569557416.db2.gz DRALQHDAAWRODO-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000009664658 569557470 /nfs/dbraw/zinc/55/74/70/569557470.db2.gz COOZMHDXWUBROH-UHFFFAOYSA-N 0 0 428.538 5.575 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000009665163 569557523 /nfs/dbraw/zinc/55/75/23/569557523.db2.gz HNHNDXURHTYUPV-UHFFFAOYSA-N 0 0 430.957 5.229 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000009665642 569557585 /nfs/dbraw/zinc/55/75/85/569557585.db2.gz RJOLCCAPXUJXCG-UHFFFAOYSA-N 0 0 449.967 5.276 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1c(F)cccc1Cl)oc1ccccc12 ZINC000009665796 569557648 /nfs/dbraw/zinc/55/76/48/569557648.db2.gz SXYQAOVDBGRCOM-GFCCVEGCSA-N 0 0 441.842 5.571 50 0 IKAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000009666337 569557697 /nfs/dbraw/zinc/55/76/97/569557697.db2.gz SFEYBNMTXALEDZ-MRXNPFEDSA-N 0 0 448.523 5.231 50 0 IKAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)cc1Cl ZINC000009668145 569557893 /nfs/dbraw/zinc/55/78/93/569557893.db2.gz LRUAKNNVXQYYIS-UHFFFAOYSA-N 0 0 431.344 5.381 50 0 IKAARN COc1cccc(-c2c([C@@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)c1 ZINC000009668420 569557970 /nfs/dbraw/zinc/55/79/70/569557970.db2.gz NASGONLAAVCVCX-NDEPHWFRSA-N 0 0 448.522 6.192 50 0 IKAARN C[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)Nc1ccc2ccccc2c1 ZINC000009669233 569558034 /nfs/dbraw/zinc/55/80/34/569558034.db2.gz NMHPJAHBQDMEGM-ZDUSSCGKSA-N 0 0 435.574 5.136 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000009669502 569558077 /nfs/dbraw/zinc/55/80/77/569558077.db2.gz UZUWXYBFUAHEDC-UHFFFAOYSA-N 0 0 438.597 6.206 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc2c(c1)CCCC2 ZINC000009669856 569558170 /nfs/dbraw/zinc/55/81/70/569558170.db2.gz YXJUPOODGSFMRH-UHFFFAOYSA-N 0 0 429.339 5.353 50 0 IKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000009670101 569558197 /nfs/dbraw/zinc/55/81/97/569558197.db2.gz DAOLDJGAMMYLAH-QFIPXVFZSA-N 0 0 427.504 5.120 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009670225 569558256 /nfs/dbraw/zinc/55/82/56/569558256.db2.gz XGHSXUHHGBWSHS-HXUWFJFHSA-N 0 0 431.565 5.477 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C)n2-c2cccc(C)c2)cs1)c1ccccc1 ZINC000009670383 569558262 /nfs/dbraw/zinc/55/82/62/569558262.db2.gz RJMSTVHRRRYSOX-UHFFFAOYSA-N 0 0 435.578 5.318 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009670226 569558299 /nfs/dbraw/zinc/55/82/99/569558299.db2.gz XGHSXUHHGBWSHS-FQEVSTJZSA-N 0 0 431.565 5.477 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000009670401 569558312 /nfs/dbraw/zinc/55/83/12/569558312.db2.gz YPZRFLAWNADHCE-UHFFFAOYSA-N 0 0 437.906 5.302 50 0 IKAARN COc1cc(CC(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc(OC)c1OC ZINC000009671128 569558479 /nfs/dbraw/zinc/55/84/79/569558479.db2.gz FYULPOWRFZONJI-AREMUKBSSA-N 0 0 448.515 5.039 50 0 IKAARN O=C(N[C@H]1CCSc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 ZINC000009671523 569558550 /nfs/dbraw/zinc/55/85/50/569558550.db2.gz ZCLVRZXGHAWLLZ-IBGZPJMESA-N 0 0 432.570 6.087 50 0 IKAARN NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1cccc(Oc2ccccc2)c1 ZINC000009671777 569558596 /nfs/dbraw/zinc/55/85/96/569558596.db2.gz YYLOTQSOXOVQMQ-LEWJYISDSA-N 0 0 435.549 5.004 50 0 IKAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009671767 569558622 /nfs/dbraw/zinc/55/86/22/569558622.db2.gz SIPYZJMUBNRZSE-UHFFFAOYSA-N 0 0 441.487 5.110 50 0 IKAARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccccc1Cl ZINC000009672015 569558689 /nfs/dbraw/zinc/55/86/89/569558689.db2.gz IIHIFDOTHHWIKB-UHFFFAOYSA-N 0 0 428.989 5.100 50 0 IKAARN CSc1cccc(NC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000009674030 569559012 /nfs/dbraw/zinc/55/90/12/569559012.db2.gz XCXDRHZJFBKYTH-UHFFFAOYSA-N 0 0 431.561 5.583 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674002 569559040 /nfs/dbraw/zinc/55/90/40/569559040.db2.gz KWNRJEFPHIDISS-UHFFFAOYSA-N 0 0 429.520 5.178 50 0 IKAARN O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)NCc1ccco1 ZINC000009674121 569559090 /nfs/dbraw/zinc/55/90/90/569559090.db2.gz SLRISGRVUWTDFW-UHFFFAOYSA-N 0 0 425.460 5.023 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2SCC(=O)NCc2ccco2)cc1 ZINC000009674114 569559110 /nfs/dbraw/zinc/55/91/10/569559110.db2.gz HQTBBZJHPWXMDQ-UHFFFAOYSA-N 0 0 437.952 5.707 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2SCC(=O)Nc2ccccc2)cc1 ZINC000009674181 569559153 /nfs/dbraw/zinc/55/91/53/569559153.db2.gz MYWPRYRIICMRSF-UHFFFAOYSA-N 0 0 433.508 5.622 50 0 IKAARN CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 ZINC000009675884 569559311 /nfs/dbraw/zinc/55/93/11/569559311.db2.gz VXWFMAJNHISKLM-UHFFFAOYSA-N 0 0 428.333 6.566 50 0 IKAARN CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 ZINC000009675899 569559325 /nfs/dbraw/zinc/55/93/25/569559325.db2.gz LEWIJWSKDLDCSX-UHFFFAOYSA-N 0 0 435.527 6.309 50 0 IKAARN COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(Cl)cc4)c3c2cc1OC ZINC000009675976 569559357 /nfs/dbraw/zinc/55/93/57/569559357.db2.gz MABPRJNZQDAKOF-UHFFFAOYSA-N 0 0 433.870 6.050 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 ZINC000009676058 569559358 /nfs/dbraw/zinc/55/93/58/569559358.db2.gz IDOSXYSHSNOSQS-UHFFFAOYSA-N 0 0 434.326 6.865 50 0 IKAARN CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000009675934 569559367 /nfs/dbraw/zinc/55/93/67/569559367.db2.gz VCNFKNBYWQGCLY-UHFFFAOYSA-N 0 0 425.463 5.865 50 0 IKAARN CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000009676025 569559368 /nfs/dbraw/zinc/55/93/68/569559368.db2.gz LQIOKIXJSPCBNL-UHFFFAOYSA-N 0 0 432.354 7.418 50 0 IKAARN CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000009676027 569559373 /nfs/dbraw/zinc/55/93/73/569559373.db2.gz CEQWPFIDPPPKJA-UHFFFAOYSA-N 0 0 429.907 6.301 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000009676039 569559378 /nfs/dbraw/zinc/55/93/78/569559378.db2.gz QDRABZMRDSFMGH-UHFFFAOYSA-N 0 0 445.906 5.920 50 0 IKAARN Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000009676087 569559379 /nfs/dbraw/zinc/55/93/79/569559379.db2.gz PEMDMDXXUYHQEX-UHFFFAOYSA-N 0 0 442.360 6.928 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000009675927 569559381 /nfs/dbraw/zinc/55/93/81/569559381.db2.gz SSZUSJJCMVWMRQ-UHFFFAOYSA-N 0 0 427.891 5.974 50 0 IKAARN COc1ccc2ncc3c(-c4cccc(Br)c4)nn(-c4ccccc4)c3c2c1 ZINC000009676144 569559413 /nfs/dbraw/zinc/55/94/13/569559413.db2.gz ONTLDMZNKYNUEZ-UHFFFAOYSA-N 0 0 430.305 6.012 50 0 IKAARN Cc1ccc(CSC[C@@H]2COC(c3cccn3Cc3ccc(F)cc3Cl)=N2)cc1 ZINC000009676218 569559417 /nfs/dbraw/zinc/55/94/17/569559417.db2.gz GXWYWUZNPINXSE-FQEVSTJZSA-N 0 0 428.960 5.716 50 0 IKAARN Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccccc4c32)cc1C ZINC000009676172 569559422 /nfs/dbraw/zinc/55/94/22/569559422.db2.gz CYDJSWHDPNVEJG-UHFFFAOYSA-N 0 0 428.333 6.620 50 0 IKAARN CSc1ccc(Cn2cccc2C2=N[C@H](CSCc3ccc(F)cc3)CO2)cc1 ZINC000009676212 569559424 /nfs/dbraw/zinc/55/94/24/569559424.db2.gz CEAPBRWCRLLDHK-FQEVSTJZSA-N 0 0 426.582 5.476 50 0 IKAARN CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678457 569559622 /nfs/dbraw/zinc/55/96/22/569559622.db2.gz UDMFBKHDRQGQTI-UHFFFAOYSA-N 0 0 426.900 5.150 50 0 IKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009678822 569559651 /nfs/dbraw/zinc/55/96/51/569559651.db2.gz GFKBTVGMHMWBTE-UHFFFAOYSA-N 0 0 441.560 5.136 50 0 IKAARN COc1ccc(-n2c(=O)c3cnn(-c4ccc(C)c(C)c4)c3nc2-c2ccco2)cc1Cl ZINC000009678226 569559667 /nfs/dbraw/zinc/55/96/67/569559667.db2.gz DVIZFTZGIXEFEF-UHFFFAOYSA-N 0 0 446.894 5.110 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679226 569559765 /nfs/dbraw/zinc/55/97/65/569559765.db2.gz IVUFUJMCXXTDNG-DEOSSOPVSA-N 0 0 441.462 5.142 50 0 IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Br)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679159 569559785 /nfs/dbraw/zinc/55/97/85/569559785.db2.gz XIIJYTCJAOJPJO-HSZRJFAPSA-N 0 0 444.332 5.897 50 0 IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Br)cc4)c3[C@H]2c2ccccn2)cc1 ZINC000009679195 569559801 /nfs/dbraw/zinc/55/98/01/569559801.db2.gz LJXLKVHMOQCMFP-JOCHJYFZSA-N 0 0 445.320 5.292 50 0 IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679130 569559816 /nfs/dbraw/zinc/55/98/16/569559816.db2.gz XDLLXGCKNKFQLR-HSZRJFAPSA-N 0 0 434.326 6.442 50 0 IKAARN COc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc2n1 ZINC000009680903 569560182 /nfs/dbraw/zinc/56/01/82/569560182.db2.gz HIAXRQAXFDQGNL-UHFFFAOYSA-N 0 0 431.923 5.613 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000009680751 569560192 /nfs/dbraw/zinc/56/01/92/569560192.db2.gz AYPVOWHBCWDUPD-UHFFFAOYSA-N 0 0 445.950 6.003 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Nc3cc(C)cc(C)c3)nc3ccccc32)C1 ZINC000009680831 569560198 /nfs/dbraw/zinc/56/01/98/569560198.db2.gz XZMWVHREFVUTSZ-LJQANCHMSA-N 0 0 431.536 5.011 50 0 IKAARN CCc1ccccc1Nc1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1 ZINC000009680726 569560215 /nfs/dbraw/zinc/56/02/15/569560215.db2.gz RTUJFXFPKMQZFZ-UHFFFAOYSA-N 0 0 425.488 5.200 50 0 IKAARN CCCCc1ccc(-c2csc(-c3nc(-c4ccc(CCCC)cc4)cs3)n2)cc1 ZINC000009683169 569560321 /nfs/dbraw/zinc/56/03/21/569560321.db2.gz RPRJZGKYLWRIRR-UHFFFAOYSA-N 0 0 432.658 8.286 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1Br ZINC000009683467 569560375 /nfs/dbraw/zinc/56/03/75/569560375.db2.gz RKRPSVGNYZPUCJ-UHFFFAOYSA-N 0 0 434.334 5.483 50 0 IKAARN COc1ccc(NC(=O)[C@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1Cl ZINC000009685030 569560623 /nfs/dbraw/zinc/56/06/23/569560623.db2.gz XNPNPTGISRHVCI-LJQANCHMSA-N 0 0 428.945 5.056 50 0 IKAARN CCc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@@H]1C)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685814 569560741 /nfs/dbraw/zinc/56/07/41/569560741.db2.gz IVXZHSUBVLNSNR-HNNXBMFYSA-N 0 0 436.577 5.025 50 0 IKAARN Cc1cc(C)c(NC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)c(C)c1 ZINC000009687785 569560820 /nfs/dbraw/zinc/56/08/20/569560820.db2.gz MPILBDLEBDPBDV-UHFFFAOYSA-N 0 0 431.561 5.537 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)CCc3c(C)nc4c(cnn4C(C)C)c3C)c2)cs1 ZINC000009690108 569560940 /nfs/dbraw/zinc/56/09/40/569560940.db2.gz TWKYPYRGYDWVTH-UHFFFAOYSA-N 0 0 433.581 5.632 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3cc(=O)n(C)c4ccccc34)ccc21 ZINC000009692068 569561062 /nfs/dbraw/zinc/56/10/62/569561062.db2.gz UVPODBJFLCBAEG-UHFFFAOYSA-N 0 0 441.556 5.397 50 0 IKAARN Cn1c2ccccc2c2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2c1=O ZINC000009693048 569561100 /nfs/dbraw/zinc/56/11/00/569561100.db2.gz HKHDCRVUDCFXJE-UHFFFAOYSA-N 0 0 426.497 5.798 50 0 IKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1ccc(F)c(Cl)c1 ZINC000009693724 569561136 /nfs/dbraw/zinc/56/11/36/569561136.db2.gz BUYYHSQTTVYBOW-UHFFFAOYSA-N 0 0 435.351 6.290 50 0 IKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)sc21 ZINC000009693069 569561145 /nfs/dbraw/zinc/56/11/45/569561145.db2.gz PLQWNRMTTVYHLC-UHFFFAOYSA-N 0 0 443.503 6.486 50 0 IKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)sc21 ZINC000009693074 569561161 /nfs/dbraw/zinc/56/11/61/569561161.db2.gz HWKNYGPYWCINIJ-UHFFFAOYSA-N 0 0 433.552 5.536 50 0 IKAARN CCN(CCNC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C)c1ccccc1 ZINC000009693944 569561175 /nfs/dbraw/zinc/56/11/75/569561175.db2.gz PBJNOFGLDUAJFH-UHFFFAOYSA-N 0 0 444.000 5.179 50 0 IKAARN COc1cccc(CNC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c1 ZINC000009693767 569561188 /nfs/dbraw/zinc/56/11/88/569561188.db2.gz AEXXXIMKFWJENF-UHFFFAOYSA-N 0 0 426.969 5.184 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000009693736 569561209 /nfs/dbraw/zinc/56/12/09/569561209.db2.gz DIICTCOFGHUSHD-UHFFFAOYSA-N 0 0 426.969 5.815 50 0 IKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCc1ccc(F)cc1Cl ZINC000009693761 569561211 /nfs/dbraw/zinc/56/12/11/569561211.db2.gz QJRWMEUPVYATOK-UHFFFAOYSA-N 0 0 449.378 5.968 50 0 IKAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000009707698 569561637 /nfs/dbraw/zinc/56/16/37/569561637.db2.gz PVASIXZPIPNRQC-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000009707773 569561655 /nfs/dbraw/zinc/56/16/55/569561655.db2.gz TYQZSCSIXDCOSA-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 ZINC000009707759 569561670 /nfs/dbraw/zinc/56/16/70/569561670.db2.gz VSAULIZPPYKTPT-UHFFFAOYSA-N 0 0 447.390 5.224 50 0 IKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000009707718 569561695 /nfs/dbraw/zinc/56/16/95/569561695.db2.gz DYYQLVAAFAUTJA-UHFFFAOYSA-N 0 0 448.569 5.523 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)cc1 ZINC000009707836 569561698 /nfs/dbraw/zinc/56/16/98/569561698.db2.gz SCLFJTZVZYWXIX-UHFFFAOYSA-N 0 0 437.594 5.193 50 0 IKAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccc(Br)c1 ZINC000009708223 569561859 /nfs/dbraw/zinc/56/18/59/569561859.db2.gz UHHSOCYEJHYIOK-LJQANCHMSA-N 0 0 427.367 5.044 50 0 IKAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)c5cccs5)cc43)oc21 ZINC000009708080 569561861 /nfs/dbraw/zinc/56/18/61/569561861.db2.gz QKLUJTJOKNCONA-UHFFFAOYSA-N 0 0 432.453 5.804 50 0 IKAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1Br ZINC000009708227 569561868 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O=C(Nc1ccc(N2CCCC2=O)cc1)c1oc2ccccc2c1COc1ccccc1 ZINC000009713757 569562632 /nfs/dbraw/zinc/56/26/32/569562632.db2.gz COMKACAAZDNSGX-UHFFFAOYSA-N 0 0 426.472 5.391 50 0 IKAARN O=C(NCCSc1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccc(Br)cc1 ZINC000009713866 569562703 /nfs/dbraw/zinc/56/27/03/569562703.db2.gz LJUQIQSFTLGNKW-UHFFFAOYSA-N 0 0 436.762 5.015 50 0 IKAARN O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000009713844 569562733 /nfs/dbraw/zinc/56/27/33/569562733.db2.gz KZJWXCCCJZRGEP-UHFFFAOYSA-N 0 0 425.463 5.185 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)n1C1CC1 ZINC000009714214 569562764 /nfs/dbraw/zinc/56/27/64/569562764.db2.gz PKPQSFBBCMKYJA-SFHVURJKSA-N 0 0 433.364 5.700 50 0 IKAARN COc1ccccc1-c1nnc(SCc2cn3cccc(C)c3n2)n1C1CCCCC1 ZINC000009715022 569562933 /nfs/dbraw/zinc/56/29/33/569562933.db2.gz IGXPAHOKXBTQMV-UHFFFAOYSA-N 0 0 433.581 5.707 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)c1 ZINC000009723755 569563617 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O=C(CSc1nc2cc(Cl)ccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009727106 569564024 /nfs/dbraw/zinc/56/40/24/569564024.db2.gz RAWMTVYHINCFFY-INIZCTEOSA-N 0 0 446.981 5.177 50 0 IKAARN Cc1cc(-c2csc(CC(=O)Nc3ccccc3C)n2)c(C)n1Cc1ccc(F)cc1 ZINC000009728785 569564181 /nfs/dbraw/zinc/56/41/81/569564181.db2.gz ZBIYFDJSUYQGJX-UHFFFAOYSA-N 0 0 433.552 5.905 50 0 IKAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4s3)[C@@H](c3ccco3)C2)cc1 ZINC000009730141 569564323 /nfs/dbraw/zinc/56/43/23/569564323.db2.gz SAXQCKVLTJAQCM-LJQANCHMSA-N 0 0 449.557 5.368 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2C2CCCCC2)cc1 ZINC000009729936 569564346 /nfs/dbraw/zinc/56/43/46/569564346.db2.gz BWHSEWJHDCIGCM-ROUUACIJSA-N 0 0 442.629 5.341 50 0 IKAARN O=C(Cc1csc(-c2cccnc2)n1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000009730167 569564349 /nfs/dbraw/zinc/56/43/49/569564349.db2.gz VFYVISKMDAGSLQ-UHFFFAOYSA-N 0 0 432.574 5.389 50 0 IKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009730298 569564394 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Nc1nnc(Sc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)s1 ZINC000009745444 569565650 /nfs/dbraw/zinc/56/56/50/569565650.db2.gz UPKNZVOYQRWLIN-UHFFFAOYSA-N 0 0 429.621 5.057 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc2ccccc2c1 ZINC000009745691 569565669 /nfs/dbraw/zinc/56/56/69/569565669.db2.gz ZAYNJYXMUVDSAL-UHFFFAOYSA-N 0 0 449.963 5.974 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3c(C)cc(C)cc3C)c(C)c2C(=O)[O-])cc1 ZINC000009747142 569565806 /nfs/dbraw/zinc/56/58/06/569565806.db2.gz URFVXLGUQCWGEK-UHFFFAOYSA-N 0 0 436.621 5.788 50 0 IKAARN CCCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c3ccccc3oc2c1=O ZINC000009749394 569565988 /nfs/dbraw/zinc/56/59/88/569565988.db2.gz BEYRILSQLSSJIU-UHFFFAOYSA-N 0 0 435.549 5.290 50 0 IKAARN CCCCn1c(SCC(=O)Nc2cccc(CC)c2)nc2c3ccccc3oc2c1=O ZINC000009749527 569566022 /nfs/dbraw/zinc/56/60/22/569566022.db2.gz FYVFTABIZSGDAM-UHFFFAOYSA-N 0 0 435.549 5.236 50 0 IKAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000009751650 569566042 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Fc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccc(Cl)cc2)cc1 ZINC000009761125 569566238 /nfs/dbraw/zinc/56/62/38/569566238.db2.gz AJPSRVVGTKLGSD-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN Cc1cccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)cc2)c1 ZINC000009762215 569566435 /nfs/dbraw/zinc/56/64/35/569566435.db2.gz AOWUQYMJPFGRAO-KRWDZBQOSA-N 0 0 446.572 5.543 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)Nc3ccc(OC)cc3)ccc21 ZINC000009763763 569566662 /nfs/dbraw/zinc/56/66/62/569566662.db2.gz PUOXGKCSVSVWLD-UHFFFAOYSA-N 0 0 429.520 5.571 50 0 IKAARN Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccc(Br)cc1)N2 ZINC000009763453 569566670 /nfs/dbraw/zinc/56/66/70/569566670.db2.gz NXBLBFHPOKCBJE-CABCVRRESA-N 0 0 439.144 5.076 50 0 IKAARN Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccc(Br)cc1)N2 ZINC000009763452 569566673 /nfs/dbraw/zinc/56/66/73/569566673.db2.gz NXBLBFHPOKCBJE-GJZGRUSLSA-N 0 0 439.144 5.076 50 0 IKAARN Cc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C(C)C)cc2)N(CCc2ccccc2)C1=O ZINC000009764299 569566689 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433.577 5.006 50 0 IKAARN COc1ccccc1Nc1ncc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc21 ZINC000009776689 569567054 /nfs/dbraw/zinc/56/70/54/569567054.db2.gz QJCUZLGKLFSPFK-UHFFFAOYSA-N 0 0 431.923 5.613 50 0 IKAARN CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(OC)cc1 ZINC000009776141 569567057 /nfs/dbraw/zinc/56/70/57/569567057.db2.gz JCYQQOUXSPODNJ-RPBOFIJWSA-N 0 0 434.580 5.177 50 0 IKAARN CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000009776045 569567064 /nfs/dbraw/zinc/56/70/64/569567064.db2.gz PTFGXILOMBJUPR-RIEVBORMSA-N 0 0 434.580 5.223 50 0 IKAARN O=C(NCCn1cc(SCc2cccc(F)c2)c2ccccc21)c1c(F)cccc1F ZINC000009775860 569567073 /nfs/dbraw/zinc/56/70/73/569567073.db2.gz CRSRSJGTCKUKEI-UHFFFAOYSA-N 0 0 440.490 5.781 50 0 IKAARN Cc1ccc(Nc2ncc(C(=O)N(C)c3ccc(Cl)cc3)c3ccccc32)cc1Cl ZINC000009776801 569567135 /nfs/dbraw/zinc/56/71/35/569567135.db2.gz XLCKZUQTASLEEA-UHFFFAOYSA-N 0 0 436.342 6.870 50 0 IKAARN CCc1ccccc1N(C)C(=O)c1cnc(Nc2ccc(C)c(Cl)c2)c2ccccc12 ZINC000009776817 569567137 /nfs/dbraw/zinc/56/71/37/569567137.db2.gz SFABYMLZLDCYOG-UHFFFAOYSA-N 0 0 429.951 6.779 50 0 IKAARN Cc1ccc(NC(=O)CSc2cn(CCNC(=O)c3cccs3)c3ccccc23)cc1 ZINC000009778284 569567214 /nfs/dbraw/zinc/56/72/14/569567214.db2.gz VBFWEHAOOMSCHF-UHFFFAOYSA-N 0 0 449.601 5.172 50 0 IKAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009779085 569567386 /nfs/dbraw/zinc/56/73/86/569567386.db2.gz UDINIVBPEIBXTR-GOSISDBHSA-N 0 0 436.512 5.172 50 0 IKAARN O=C(CCCSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000009779514 569567397 /nfs/dbraw/zinc/56/73/97/569567397.db2.gz MFOQJEDEYFTBDQ-UHFFFAOYSA-N 0 0 432.524 5.283 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009779860 569567443 /nfs/dbraw/zinc/56/74/43/569567443.db2.gz PONZAGKPMWKKRB-UHFFFAOYSA-N 0 0 447.926 5.541 50 0 IKAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1Oc1ccccc1 ZINC000009781625 569567630 /nfs/dbraw/zinc/56/76/30/569567630.db2.gz HVYUPMWPXKGOAK-UHFFFAOYSA-N 0 0 440.480 5.961 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000009781623 569567647 /nfs/dbraw/zinc/56/76/47/569567647.db2.gz UFFYDIUXRPTHSJ-UHFFFAOYSA-N 0 0 428.469 5.331 50 0 IKAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009783633 569567840 /nfs/dbraw/zinc/56/78/40/569567840.db2.gz WNBCFIHAJFTWFS-OAHLLOKOSA-N 0 0 439.993 6.093 50 0 IKAARN CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccoc2C)n1-c1ccccc1)c1ccccc1 ZINC000009790859 569568216 /nfs/dbraw/zinc/56/82/16/569568216.db2.gz UVGTZAZQEKQPRS-JOCHJYFZSA-N 0 0 446.576 5.538 50 0 IKAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccoc2C)n1-c1ccccc1)c1ccccc1 ZINC000009790861 569568224 /nfs/dbraw/zinc/56/82/24/569568224.db2.gz UVGTZAZQEKQPRS-QFIPXVFZSA-N 0 0 446.576 5.538 50 0 IKAARN O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009798352 569568563 /nfs/dbraw/zinc/56/85/63/569568563.db2.gz KCKWPUMKVGCHJW-LBPRGKRZSA-N 0 0 443.413 5.036 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2nc(-c3ccccc3Cl)no2)n1C1CC1 ZINC000009799378 569568583 /nfs/dbraw/zinc/56/85/83/569568583.db2.gz SLDLVYKTOFCAIL-UHFFFAOYSA-N 0 0 427.892 5.415 50 0 IKAARN Fc1ccc(CSc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 ZINC000009804850 569568653 /nfs/dbraw/zinc/56/86/53/569568653.db2.gz CUIOUBXFMSXPRS-UHFFFAOYSA-N 0 0 427.342 6.279 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009805615 569568743 /nfs/dbraw/zinc/56/87/43/569568743.db2.gz IHYHASZHSBSUCG-AFJIDDCJSA-N 0 0 432.567 7.350 50 0 IKAARN COc1cccc(NC(=O)c2c(C)c(C)sc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000009805383 569568749 /nfs/dbraw/zinc/56/87/49/569568749.db2.gz HIVWVTBRNUIHGH-UHFFFAOYSA-N 0 0 436.577 6.176 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(-n3c(C)c(C)nc3-c3ccc(Cl)cc3)cc2)cc1 ZINC000009805829 569568815 /nfs/dbraw/zinc/56/88/15/569568815.db2.gz GGLJJJUPNGDZJT-UHFFFAOYSA-N 0 0 445.950 5.999 50 0 IKAARN Cn1c(-c2cccc(Br)c2)cn2cc(-c3cccc(Br)c3)nc21 ZINC000009805788 569568854 /nfs/dbraw/zinc/56/88/54/569568854.db2.gz CMLABAGRYUMLFP-UHFFFAOYSA-N 0 0 431.131 5.532 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009815914 569569192 /nfs/dbraw/zinc/56/91/92/569569192.db2.gz MWMOFWSANRTLFJ-UHFFFAOYSA-N 0 0 428.492 5.093 50 0 IKAARN O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1ccccc1C(F)(F)F ZINC000009817645 569569247 /nfs/dbraw/zinc/56/92/47/569569247.db2.gz LJCKPEVQSHSQPK-UHFFFAOYSA-N 0 0 433.407 5.122 50 0 IKAARN Cc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2S(=O)(=O)c2ccccc2)cc1 ZINC000009824640 569569623 /nfs/dbraw/zinc/56/96/23/569569623.db2.gz LPXDKOLVDUTYLV-UHFFFAOYSA-N 0 0 448.569 5.446 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(CC)O4)c(C)c1 ZINC000009824538 569569639 /nfs/dbraw/zinc/56/96/39/569569639.db2.gz REXVNZCXRUOJFV-MHZLTWQESA-N 0 0 448.563 6.282 50 0 IKAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccc(Cl)cc2)sc1Nc1ccccc1C ZINC000009824777 569569675 /nfs/dbraw/zinc/56/96/75/569569675.db2.gz ZIYMHJMHFYXRQJ-UHFFFAOYSA-N 0 0 448.997 5.450 50 0 IKAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)COc3ccc(Cl)cc3)nc2c1C ZINC000009829750 569570146 /nfs/dbraw/zinc/57/01/46/569570146.db2.gz OOWWMYRJFSSRDZ-UHFFFAOYSA-N 0 0 437.952 5.574 50 0 IKAARN CCC[C@H](NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 ZINC000009832161 569570268 /nfs/dbraw/zinc/57/02/68/569570268.db2.gz HEMVGBZDTJYRRQ-YJBOKZPZSA-N 0 0 426.611 5.480 50 0 IKAARN C[C@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccccc2Cl)c1C(=O)[O-] ZINC000009833299 569570328 /nfs/dbraw/zinc/57/03/28/569570328.db2.gz TZGGBTKXXFOWRD-LJQANCHMSA-N 0 0 446.978 6.152 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(COc5ccccc5)c4)ccc3o2)cc1C ZINC000009833492 569570366 /nfs/dbraw/zinc/57/03/66/569570366.db2.gz RSHAWOHEHDEMQR-UHFFFAOYSA-N 0 0 448.522 6.943 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NCc1cccs1 ZINC000009833728 569570429 /nfs/dbraw/zinc/57/04/29/569570429.db2.gz DVUWHSMFJJCLLB-MRXNPFEDSA-N 0 0 432.574 5.064 50 0 IKAARN CC[C@@](C)(NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)NC1CCCC1 ZINC000009834876 569570575 /nfs/dbraw/zinc/57/05/75/569570575.db2.gz IVIINIOYFMWOAK-HHHXNRCGSA-N 0 0 444.660 5.264 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000009835121 569570603 /nfs/dbraw/zinc/57/06/03/569570603.db2.gz PCERPPQBFVRIRB-UHFFFAOYSA-N 0 0 436.577 5.504 50 0 IKAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000009835636 569570695 /nfs/dbraw/zinc/57/06/95/569570695.db2.gz HNPCLQYHVOFEHF-FGZHOGPDSA-N 0 0 438.886 5.037 50 0 IKAARN Cc1nc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)n(C2CCCC2)c1C ZINC000009835721 569570704 /nfs/dbraw/zinc/57/07/04/569570704.db2.gz OOHZQQYQPIXYCY-UHFFFAOYSA-N 0 0 440.638 5.853 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3cccc(OC)c3)c2c1 ZINC000009838641 569570831 /nfs/dbraw/zinc/57/08/31/569570831.db2.gz FNFSNKDMQVEUHU-UHFFFAOYSA-N 0 0 434.517 5.219 50 0 IKAARN CCOc1ccc(Nc2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000009838607 569570855 /nfs/dbraw/zinc/57/08/55/569570855.db2.gz CDKBIUXWEUEDES-UHFFFAOYSA-N 0 0 438.936 5.863 50 0 IKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1 ZINC000009846194 569571026 /nfs/dbraw/zinc/57/10/26/569571026.db2.gz IDGLTQPVHKDSJH-UHFFFAOYSA-N 0 0 434.923 6.923 50 0 IKAARN Cc1ccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000009846675 569571097 /nfs/dbraw/zinc/57/10/97/569571097.db2.gz XXCRHLSKZXZOCX-ZVHZXABRSA-N 0 0 439.490 5.230 50 0 biogenic IKAARN COc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccc(F)cc3)c2c1 ZINC000009847471 569571119 /nfs/dbraw/zinc/57/11/19/569571119.db2.gz DVDYLVASHFPIKI-UHFFFAOYSA-N 0 0 449.503 5.063 50 0 IKAARN CCOc1ccc2nc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)sc2c1 ZINC000009848005 569571176 /nfs/dbraw/zinc/57/11/76/569571176.db2.gz DDYHUMAQUPBJQO-NRFANRHFSA-N 0 0 435.593 5.105 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)sc2c1 ZINC000009848089 569571185 /nfs/dbraw/zinc/57/11/85/569571185.db2.gz FSGZMYJYHNMKBV-HNNXBMFYSA-N 0 0 429.973 5.512 50 0 IKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)nc2c(C)c1 ZINC000009848417 569571224 /nfs/dbraw/zinc/57/12/24/569571224.db2.gz NSGZWWYMTCPXRY-HXUWFJFHSA-N 0 0 437.609 5.233 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc3c4c(cccc42)CC3)C1 ZINC000009850713 569571375 /nfs/dbraw/zinc/57/13/75/569571375.db2.gz GRTKOMNUXFCLPL-HNNXBMFYSA-N 0 0 425.315 5.237 50 0 IKAARN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)c1 ZINC000009850140 569571378 /nfs/dbraw/zinc/57/13/78/569571378.db2.gz SKQXBFRSXCAINV-WPWMEQJKSA-N 0 0 448.522 5.820 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc42)CC3)C1 ZINC000009850712 569571398 /nfs/dbraw/zinc/57/13/98/569571398.db2.gz GRTKOMNUXFCLPL-OAHLLOKOSA-N 0 0 425.315 5.237 50 0 IKAARN CN(Cc1ccccc1)C(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000009851201 569571435 /nfs/dbraw/zinc/57/14/35/569571435.db2.gz SQDKCGNJCMJJPT-FPOVZHCZSA-N 0 0 447.000 5.350 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009851013 569571444 /nfs/dbraw/zinc/57/14/44/569571444.db2.gz AZSVCERVVQYHQI-UHFFFAOYSA-N 0 0 448.466 5.091 50 0 IKAARN C[C@@H](NC(=O)CCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1)c1ccccc1 ZINC000009851075 569571458 /nfs/dbraw/zinc/57/14/58/569571458.db2.gz YMKZHSMCYKBKQI-OAQYLSRUSA-N 0 0 436.596 6.022 50 0 IKAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(C)cc3c2=O)cc1 ZINC000009855759 569571578 /nfs/dbraw/zinc/57/15/78/569571578.db2.gz ISUSFYSATAOKDM-UHFFFAOYSA-N 0 0 438.527 5.050 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1C ZINC000009857802 569571648 /nfs/dbraw/zinc/57/16/48/569571648.db2.gz DIGASWRCUJRQJF-RPBOFIJWSA-N 0 0 444.600 6.227 50 0 IKAARN O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009857806 569571652 /nfs/dbraw/zinc/57/16/52/569571652.db2.gz DJHXSHKFYHXBKH-JWQCQUIFSA-N 0 0 444.600 5.330 50 0 IKAARN Cc1ccc2c(c1)Cc1c(nc(-c3ccccc3)nc1SCC(=O)N1CCCCC1)O2 ZINC000009859291 569571767 /nfs/dbraw/zinc/57/17/67/569571767.db2.gz LTKWIEROASRAMT-UHFFFAOYSA-N 0 0 431.561 5.253 50 0 IKAARN CN(C(=O)CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)c1ccccc1 ZINC000009859221 569571788 /nfs/dbraw/zinc/57/17/88/569571788.db2.gz VHWAGEDNGLBWBL-UHFFFAOYSA-N 0 0 439.540 5.595 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)N(Cc1ccco1)C1=CCCCC1 ZINC000009864373 569572094 /nfs/dbraw/zinc/57/20/94/569572094.db2.gz IJWXGGMPRUSXOA-UHFFFAOYSA-N 0 0 440.594 5.322 50 0 IKAARN Cc1ccc(-n2c(S[C@H](C)c3nnc(-c4cccs4)o3)nnc2N2CCCC2)cc1 ZINC000009864533 569572132 /nfs/dbraw/zinc/57/21/32/569572132.db2.gz UNJSVCJFJWOKLP-OAHLLOKOSA-N 0 0 438.582 5.141 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C ZINC000009865227 569572169 /nfs/dbraw/zinc/57/21/69/569572169.db2.gz FEBQBFHGGXKOBC-UHFFFAOYSA-N 0 0 448.951 5.133 50 0 IKAARN O=C(CSc1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1)NCc1ccco1 ZINC000009866288 569572226 /nfs/dbraw/zinc/57/22/26/569572226.db2.gz WTKGSTRDDCDEMV-UHFFFAOYSA-N 0 0 442.540 5.607 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)n2CC(C)C)cc1 ZINC000009867024 569572237 /nfs/dbraw/zinc/57/22/37/569572237.db2.gz WFKZKBNKLIZETP-INIZCTEOSA-N 0 0 435.553 5.513 50 0 IKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000009867415 569572275 /nfs/dbraw/zinc/57/22/75/569572275.db2.gz RAKHIKHIRZWRKG-JKSUJKDBSA-N 0 0 443.576 5.220 50 0 IKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000009867432 569572289 /nfs/dbraw/zinc/57/22/89/569572289.db2.gz RAKHIKHIRZWRKG-HOTGVXAUSA-N 0 0 443.576 5.220 50 0 IKAARN Cc1ccc(-n2ccnc2SCc2csc(CC(=O)Nc3ccccc3C)n2)c(C)c1 ZINC000009868864 569572325 /nfs/dbraw/zinc/57/23/25/569572325.db2.gz ZTFHZJHSMYHGGM-UHFFFAOYSA-N 0 0 448.617 5.728 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2SCc2ccccc2)cc1NC(=O)c1ccco1 ZINC000009872422 569572420 /nfs/dbraw/zinc/57/24/20/569572420.db2.gz WKCBJXPLLNZKJF-UHFFFAOYSA-N 0 0 442.540 6.385 50 0 IKAARN O=C(Nc1ccccc1SCc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009872426 569572421 /nfs/dbraw/zinc/57/24/21/569572421.db2.gz WFCSKMBRZXZZFG-UHFFFAOYSA-N 0 0 445.588 5.862 50 0 IKAARN Cn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000009873056 569572500 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O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000009892100 569572955 /nfs/dbraw/zinc/57/29/55/569572955.db2.gz LWCSERRYCFJNOD-UHFFFAOYSA-N 0 0 449.293 7.314 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(Cl)c2)cc1 ZINC000009892018 569572965 /nfs/dbraw/zinc/57/29/65/569572965.db2.gz AWZGHKITCCVEHQ-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 ZINC000009892142 569572981 /nfs/dbraw/zinc/57/29/81/569572981.db2.gz JSMYCEQOFHJBPV-UHFFFAOYSA-N 0 0 447.516 5.029 50 0 IKAARN Cc1ccccc1NC(=O)[C@H](C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000009892765 569572987 /nfs/dbraw/zinc/57/29/87/569572987.db2.gz OVBYRIYMGRERMW-SFHVURJKSA-N 0 0 439.523 5.106 50 0 IKAARN O=C(CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1ccc(Cl)cc1 ZINC000009892735 569572999 /nfs/dbraw/zinc/57/29/99/569572999.db2.gz MJHFMNNNLWHJGM-UHFFFAOYSA-N 0 0 445.914 5.063 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000009906511 569573110 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/nfs/dbraw/zinc/57/66/85/569576685.db2.gz WGGSTVDMGSBRBP-UHFFFAOYSA-N 0 0 448.573 5.721 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc3c4c(cccc42)CC3)C1=O ZINC000009985353 569576740 /nfs/dbraw/zinc/57/67/40/569576740.db2.gz OIOADDJOPUYENI-PMERELPUSA-N 0 0 447.534 5.254 50 0 IKAARN COc1cc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(OC)c1OC ZINC000009988636 569576827 /nfs/dbraw/zinc/57/68/27/569576827.db2.gz XXKDGGIPOINOGH-UHFFFAOYSA-N 0 0 427.884 5.339 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Br)cc2)c2c(C)nn(-c3ccccc3)c2n1 ZINC000071405469 569576905 /nfs/dbraw/zinc/57/69/05/569576905.db2.gz WJIOUVPTZUDDJA-UHFFFAOYSA-N 0 0 436.309 5.335 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3Cl)nc2c1 ZINC000009993501 569576932 /nfs/dbraw/zinc/57/69/32/569576932.db2.gz AZTWSVIXRJDZHE-UHFFFAOYSA-N 0 0 434.923 6.598 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc3nc(C)sc3c2)nnc1-c1ccc(Cl)cc1 ZINC000009993419 569576960 /nfs/dbraw/zinc/57/69/60/569576960.db2.gz XKIBHCXMUJVHAI-UHFFFAOYSA-N 0 0 443.985 5.267 50 0 IKAARN Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C ZINC000010007632 569577005 /nfs/dbraw/zinc/57/70/05/569577005.db2.gz HCPXJZFILNENFH-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN C[C@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@H](C(C)(C)C)CC3)C1 ZINC000009994715 569577040 /nfs/dbraw/zinc/57/70/40/569577040.db2.gz ULBRUAFQJPRXNY-JKSUJKDBSA-N 0 0 444.666 6.085 50 0 IKAARN O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000010013880 569577108 /nfs/dbraw/zinc/57/71/08/569577108.db2.gz SMKNEWPCJXBHSH-NZQKXSOJSA-N 0 0 433.305 5.202 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000010013881 569577126 /nfs/dbraw/zinc/57/71/26/569577126.db2.gz GRPBMTAWHGNVPH-NZQKXSOJSA-N 0 0 425.315 6.244 50 0 IKAARN C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000010021532 569577165 /nfs/dbraw/zinc/57/71/65/569577165.db2.gz WOYHKAGYIMSXER-VGSWGCGISA-N 0 0 447.608 5.311 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000010035161 569577372 /nfs/dbraw/zinc/57/73/72/569577372.db2.gz FTQDDVUDKUHHRK-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 ZINC000010045096 569577499 /nfs/dbraw/zinc/57/74/99/569577499.db2.gz GRLIKRPKPDOKLE-UHFFFAOYSA-N 0 0 433.291 5.071 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000010076706 569577631 /nfs/dbraw/zinc/57/76/31/569577631.db2.gz XAVPLLCCYGEZOO-UHFFFAOYSA-N 0 0 447.709 5.799 50 0 IKAARN Cc1cc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000010096973 569577785 /nfs/dbraw/zinc/57/77/85/569577785.db2.gz MHZDVJCHKYYLMM-UHFFFAOYSA-N 0 0 429.589 6.207 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3cccs3)o2)cs1)c1ccccc1F ZINC000010125799 569578038 /nfs/dbraw/zinc/57/80/38/569578038.db2.gz OSNOMXAVZXFRHJ-UHFFFAOYSA-N 0 0 432.527 5.371 50 0 IKAARN COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(cccc3Cl)s2)c1OC ZINC000010187580 569578586 /nfs/dbraw/zinc/57/85/86/569578586.db2.gz CUJWTJXSIGLWDA-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)CSc3ccc(F)cc3)nc21 ZINC000010187733 569578694 /nfs/dbraw/zinc/57/86/94/569578694.db2.gz RVXDZXDQOMURTB-UHFFFAOYSA-N 0 0 439.537 5.165 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc21 ZINC000010187671 569578624 /nfs/dbraw/zinc/57/86/24/569578624.db2.gz RDOPBAKMRJBGIE-UHFFFAOYSA-N 0 0 445.953 5.270 50 0 IKAARN CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000010187709 569578640 /nfs/dbraw/zinc/57/86/40/569578640.db2.gz VHOOZJPFVPRLKQ-UHFFFAOYSA-N 0 0 435.936 5.703 50 0 IKAARN O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000010187639 569578671 /nfs/dbraw/zinc/57/86/71/569578671.db2.gz ZLYQPGBWYXKJGM-UHFFFAOYSA-N 0 0 448.342 5.501 50 0 IKAARN CCN(C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1C ZINC000010188190 569578784 /nfs/dbraw/zinc/57/87/84/569578784.db2.gz WXMRTLFEUUXYTH-UHFFFAOYSA-N 0 0 431.923 5.073 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000010205338 569578976 /nfs/dbraw/zinc/57/89/76/569578976.db2.gz DZDMBGNVDIJEIV-UHFFFAOYSA-N 0 0 444.318 5.112 50 0 IKAARN O[C@H](COc1ccc(-c2ccccc2)cc1)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000010202589 569578992 /nfs/dbraw/zinc/57/89/92/569578992.db2.gz NXAMHVKGDUOONM-QGZVFWFLSA-N 0 0 446.359 5.235 50 0 IKAARN Cc1nnc(SCC(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)n1C1CC1 ZINC000010213346 569579008 /nfs/dbraw/zinc/57/90/08/569579008.db2.gz VRZBRTCQUOLDFS-UHFFFAOYSA-N 0 0 449.605 5.165 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215087 569579222 /nfs/dbraw/zinc/57/92/22/569579222.db2.gz CBVHLARBEPMQLF-PZJWPPBQSA-N 0 0 441.350 5.762 50 0 IKAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1NC(=O)c1ccco1 ZINC000010215234 569579239 /nfs/dbraw/zinc/57/92/39/569579239.db2.gz YJGYYWPHWQMTAU-LJQANCHMSA-N 0 0 431.517 5.427 50 0 IKAARN Cc1cc(-c2cc(C(=O)Nc3cccc4cccnc43)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000010225579 569579323 /nfs/dbraw/zinc/57/93/23/569579323.db2.gz PIAFZBBPBXSERI-UHFFFAOYSA-N 0 0 425.492 5.690 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1F)N(c1nccs1)C3=O ZINC000010233031 569579417 /nfs/dbraw/zinc/57/94/17/569579417.db2.gz RUKVONVVJQCVEM-QGZVFWFLSA-N 0 0 426.856 5.100 50 0 IKAARN CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000010233182 569579536 /nfs/dbraw/zinc/57/95/36/569579536.db2.gz WKVICGGDPROIQZ-FQEVSTJZSA-N 0 0 432.501 5.015 50 0 IKAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1cccc(C(F)(F)F)c1 ZINC000010237043 569579682 /nfs/dbraw/zinc/57/96/82/569579682.db2.gz DSZDZSUXIBEOQU-CYBMUJFWSA-N 0 0 447.457 5.641 50 0 IKAARN O=C(CCCc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000010245682 569579721 /nfs/dbraw/zinc/57/97/21/569579721.db2.gz PTNFQUWZOGPMKH-UHFFFAOYSA-N 0 0 432.907 6.300 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)c1 ZINC000010246596 569579726 /nfs/dbraw/zinc/57/97/26/569579726.db2.gz XHWJENUTEGWCGP-UHFFFAOYSA-N 0 0 444.487 5.192 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1 ZINC000010245759 569579757 /nfs/dbraw/zinc/57/97/57/569579757.db2.gz IOEINIFCIXTJKS-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc3ccccc32)cc1 ZINC000010245440 569579763 /nfs/dbraw/zinc/57/97/63/569579763.db2.gz XIMZSRXMJXUTLN-UHFFFAOYSA-N 0 0 434.495 6.653 50 0 IKAARN CCCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)cc1 ZINC000010253559 569579958 /nfs/dbraw/zinc/57/99/58/569579958.db2.gz IEAZFHAJPVTJED-UHFFFAOYSA-N 0 0 444.578 5.033 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Sc3ccccc3)n2C)cc1 ZINC000010264463 569579995 /nfs/dbraw/zinc/57/99/95/569579995.db2.gz ZJOSIOADNZXEQU-UHFFFAOYSA-N 0 0 446.601 5.673 50 0 IKAARN COc1cccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)s2)c1 ZINC000010267685 569580008 /nfs/dbraw/zinc/58/00/08/569580008.db2.gz NVKOXLBOBUAGJX-UHFFFAOYSA-N 0 0 441.365 5.328 50 0 IKAARN CC(=O)N(c1nc(CSc2nccn2Cc2ccccc2)cs1)c1ccccc1F ZINC000010270828 569580035 /nfs/dbraw/zinc/58/00/35/569580035.db2.gz MVBBPLUEIOYBKW-UHFFFAOYSA-N 0 0 438.553 5.504 50 0 IKAARN O=C(Cc1sc(Cc2nc3ccccc3s2)nc1O)Nc1ccc2ccccc2c1 ZINC000010275405 569580343 /nfs/dbraw/zinc/58/03/43/569580343.db2.gz RSAJSGRVOBZJJS-LJQANCHMSA-N 0 0 431.542 5.061 50 0 IKAARN Cc1cccc(CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)c1 ZINC000071768722 569580779 /nfs/dbraw/zinc/58/07/79/569580779.db2.gz QZUZMXVGDKJXTI-UHFFFAOYSA-N 0 0 443.391 5.810 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1CCc1ccccc1 ZINC000071768740 569580801 /nfs/dbraw/zinc/58/08/01/569580801.db2.gz WWZSUUQJYNKQKU-UHFFFAOYSA-N 0 0 430.957 5.786 50 0 IKAARN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000010320816 569580896 /nfs/dbraw/zinc/58/08/96/569580896.db2.gz NOFQTDQFPWLACY-UHFFFAOYSA-N 0 0 431.439 5.084 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3nnnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 ZINC000010336740 569581167 /nfs/dbraw/zinc/58/11/67/569581167.db2.gz SOEVTCLAOPWVQX-UXHICEINSA-N 0 0 437.887 5.087 50 0 IKAARN Cc1cc(C)cc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn32)c1 ZINC000010343826 569581355 /nfs/dbraw/zinc/58/13/55/569581355.db2.gz RKINAOGTXKADNL-UHFFFAOYSA-N 0 0 430.861 6.737 50 0 IKAARN O=C(C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1)NCCc1ccccc1 ZINC000010381792 569581675 /nfs/dbraw/zinc/58/16/75/569581675.db2.gz SBKQCZAYBOHLOW-JOCHJYFZSA-N 0 0 428.561 5.054 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000010392737 569581895 /nfs/dbraw/zinc/58/18/95/569581895.db2.gz LFSCCEZLKOBHFL-UHFFFAOYSA-N 0 0 429.501 5.294 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1)c1ccccc1 ZINC000071838533 569582184 /nfs/dbraw/zinc/58/21/84/569582184.db2.gz LILIBHOULMJBIR-UHFFFAOYSA-N 0 0 433.467 5.999 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000010445218 569582275 /nfs/dbraw/zinc/58/22/75/569582275.db2.gz WGTNSFZSXOJJNV-LBPRGKRZSA-N 0 0 448.391 5.054 50 0 IKAARN CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3[C@@H](CC)c3ccccc3)n2)cc1 ZINC000071844215 569582341 /nfs/dbraw/zinc/58/23/41/569582341.db2.gz ZXJKIBLFDXDDCM-XZOQPEGZSA-N 0 0 433.552 5.253 50 0 IKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000071851109 569582463 /nfs/dbraw/zinc/58/24/63/569582463.db2.gz YPGJRPXMYQFLDQ-LEWJYISDSA-N 0 0 449.513 5.754 50 0 IKAARN Cc1cc(NCCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000010493594 569582559 /nfs/dbraw/zinc/58/25/59/569582559.db2.gz JCSRDLSOEOZJLG-UHFFFAOYSA-N 0 0 430.861 6.032 50 0 IKAARN O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1cccc(F)c1)OCCO2 ZINC000010490656 569582580 /nfs/dbraw/zinc/58/25/80/569582580.db2.gz JSPFQPORXOUYDA-UHFFFAOYSA-N 0 0 426.831 5.125 50 0 IKAARN CCCCCCOc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000016995387 569583558 /nfs/dbraw/zinc/58/35/58/569583558.db2.gz COWCGSRQUBFXGL-ACCUITESSA-N 0 0 446.569 5.248 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC ZINC000009357185 569584501 /nfs/dbraw/zinc/58/45/01/569584501.db2.gz WZYITQYTCIZFAL-ONNFQVAWSA-N 0 0 445.338 5.242 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3nc4ccc(OC)cc4s3)sc2c1 ZINC000002279778 569584578 /nfs/dbraw/zinc/58/45/78/569584578.db2.gz BBYWZZUGOPFVSE-UHFFFAOYSA-N 0 0 431.564 5.044 50 0 IKAARN Cn1c2ccccc2nc1NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000009434438 569585094 /nfs/dbraw/zinc/58/50/94/569585094.db2.gz JLXSBFMIERLHMH-UHFFFAOYSA-N 0 0 439.302 5.385 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177391 569585763 /nfs/dbraw/zinc/58/57/63/569585763.db2.gz XBRMMILTTGXFDU-ZDUSSCGKSA-N 0 0 435.446 5.383 50 0 IKAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177477 569585833 /nfs/dbraw/zinc/58/58/33/569585833.db2.gz VIMHSMMICINXDD-INIZCTEOSA-N 0 0 434.496 5.019 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(COCc2ccc(Cl)cc2)CC1 ZINC000077191631 569585961 /nfs/dbraw/zinc/58/59/61/569585961.db2.gz GNZNOQKFBGGKQR-UHFFFAOYSA-N 0 0 426.866 5.820 50 0 IKAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077197942 569586229 /nfs/dbraw/zinc/58/62/29/569586229.db2.gz IAUMBGFQTWFVLO-ZDUSSCGKSA-N 0 0 440.525 5.081 50 0 IKAARN CCOc1ccc(-c2nc(COc3cc(C(F)(F)F)c4c(C)nn(C)c4n3)c(C)o2)cc1 ZINC000045995710 569586923 /nfs/dbraw/zinc/58/69/23/569586923.db2.gz HPVGMPYJCDTGBH-UHFFFAOYSA-N 0 0 446.429 5.237 50 0 IKAARN 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 ZINC000019879540 569587064 /nfs/dbraw/zinc/58/70/64/569587064.db2.gz XRLBQELEYBVDHJ-CMKNUSOXSA-N 0 0 444.612 5.265 50 0 IKAARN Cc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)Sc2ccc(Cl)cc2)cc1 ZINC000025578955 569587280 /nfs/dbraw/zinc/58/72/80/569587280.db2.gz ORDGOWSUQMHQGB-JOCHJYFZSA-N 0 0 445.809 7.517 50 0 IKAARN Cc1nc2cccnc2n1-c1cc(C(=O)NCCc2c[nH]c3ccc(C)cc23)ccc1Cl ZINC000033249844 569587370 /nfs/dbraw/zinc/58/73/70/569587370.db2.gz YFFDBRDTTPYWLO-UHFFFAOYSA-N 0 0 443.938 5.145 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(c1nc(-c3ccccc3)cs1)[C@@H]2c1ccc(F)cc1 ZINC000033438776 569587512 /nfs/dbraw/zinc/58/75/12/569587512.db2.gz WMRLSSRXBIHABT-OAQYLSRUSA-N 0 0 446.547 6.034 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908143 569587620 /nfs/dbraw/zinc/58/76/20/569587620.db2.gz NBFWTMSLGUPOLZ-NRFANRHFSA-N 0 0 438.861 6.404 50 0 IKAARN NC1=C(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)C(=O)CN1c1cccc(Cl)c1 ZINC000034769865 569587640 /nfs/dbraw/zinc/58/76/40/569587640.db2.gz SBKSCEXCYYYPPZ-UHFFFAOYSA-N 0 0 435.858 5.199 50 0 IKAARN Cc1ccc2oc(-c3ccc(/C=C\c4ccc(-c5nc6cc(C)ccc6o5)cc4)cc3)nc2c1 ZINC000044069281 569588093 /nfs/dbraw/zinc/58/80/93/569588093.db2.gz OKEZAUMKBWTTCR-WAYWQWQTSA-N 0 0 442.518 8.090 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043759916 569588114 /nfs/dbraw/zinc/58/81/14/569588114.db2.gz CZSGREWSSMQULY-MCLKTUQTSA-N 0 0 428.745 8.821 50 0 IKAARN Clc1ccc2c(c1)[C@H]1Oc3ccc(Cl)cc3[C@@H]3Oc4ccc(Cl)cc4[C@@H](O2)N13 ZINC000196320426 569588151 /nfs/dbraw/zinc/58/81/51/569588151.db2.gz FIMOUKLUPREBRQ-NJYVYQBISA-N 0 0 432.690 6.522 50 0 IKAARN Clc1ccc2c(c1)[C@H]1Oc3ccc(Cl)cc3[C@H]3Oc4ccc(Cl)cc4[C@@H](O2)N13 ZINC000196320448 569588186 /nfs/dbraw/zinc/58/81/86/569588186.db2.gz FIMOUKLUPREBRQ-NJDAHSKKSA-N 0 0 432.690 6.522 50 0 IKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003978523 574412136 /nfs/dbraw/zinc/41/21/36/574412136.db2.gz MBZYKEVPFYHDOH-BQNIITSRSA-N 0 0 428.745 8.559 50 0 endogenous,in-man IKAARN CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000004082498 291398164 /nfs/dbraw/zinc/39/81/64/291398164.db2.gz GGGUGZHBAOMSFJ-GADYQYKKSA-N 0 0 426.729 8.169 50 0 biogenic,in-vitro IKAARN Cc1nn(C)c(OCC(=O)c2ccc(C)cc2)c1C(=O)c1ccc(Cl)c(C)c1Cl ZINC000002383231 291410216 /nfs/dbraw/zinc/41/02/16/291410216.db2.gz JDWQITFHZOBBFE-UHFFFAOYSA-N 0 0 431.319 5.145 50 0 endogenous,in-man IKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3c(F)cccc3Cl)cc21 ZINC000000623721 193859699 /nfs/dbraw/zinc/85/96/99/193859699.db2.gz GOQCDTNNMZNTIH-UHFFFAOYSA-N 0 0 427.653 5.662 50 0 IKAARN COc1cc(CNc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1Cl ZINC000000624232 193860076 /nfs/dbraw/zinc/86/00/76/193860076.db2.gz TVKOMCUBMSTVAC-UHFFFAOYSA-N 0 0 428.891 5.637 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000000624057 193860100 /nfs/dbraw/zinc/86/01/00/193860100.db2.gz HYDXJBNIGQBHPW-UHFFFAOYSA-N 0 0 440.499 5.485 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000000624943 193860563 /nfs/dbraw/zinc/86/05/63/193860563.db2.gz OMNFLCJXENKOCL-UHFFFAOYSA-N 0 0 447.490 5.731 50 0 IKAARN O=C(Nc1sc2c(c1Sc1nnnn1-c1ccccc1)CCCC2)c1ccccc1 ZINC000000628382 193862252 /nfs/dbraw/zinc/86/22/52/193862252.db2.gz DZRVVYXRFOEGJS-UHFFFAOYSA-N 0 0 433.562 5.006 50 0 IKAARN COc1cc2c(cc1OC)c(CC(=O)Nc1ccccc1)c(O)cc2N1CCCCCC1 ZINC000000630682 193863337 /nfs/dbraw/zinc/86/33/37/193863337.db2.gz CHORDQYZIDEEOB-UHFFFAOYSA-N 0 0 434.536 5.124 50 0 biogenic IKAARN Cc1c(-c2nn3c(nnc3-c3ccc(C(F)(F)F)cc3)s2)cnn1-c1ccccc1 ZINC000000632910 193864562 /nfs/dbraw/zinc/86/45/62/193864562.db2.gz BPGOUOIQOIEPJT-UHFFFAOYSA-N 0 0 426.427 5.033 50 0 IKAARN Cc1oc2c(C)c(OCc3ccccc3)ccc2c(=O)c1Oc1cnn(-c2ccccc2)c1 ZINC000000635999 193865824 /nfs/dbraw/zinc/86/58/24/193865824.db2.gz RBKHQNAKGBGJTQ-UHFFFAOYSA-N 0 0 438.483 5.967 50 0 IKAARN COc1ccc(C(=O)C[C@@H](c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000641517 193867798 /nfs/dbraw/zinc/86/77/98/193867798.db2.gz UOVBJZSOAOMDNZ-QHCPKHFHSA-N 0 0 428.937 5.445 50 0 IKAARN COc1ccc(-c2c3c(nc4sc5c(ncnc5-n5nc(C)cc5C)c42)CCC3)cc1 ZINC000000642939 193868164 /nfs/dbraw/zinc/86/81/64/193868164.db2.gz MSUQHBDASYCRON-UHFFFAOYSA-N 0 0 427.533 5.206 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000000642741 193868180 /nfs/dbraw/zinc/86/81/80/193868180.db2.gz PLHQFIHIGVQEPR-NSHDSACASA-N 0 0 443.135 5.016 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)NCc2ccco2)C1 ZINC000000643938 193868818 /nfs/dbraw/zinc/86/88/18/193868818.db2.gz OPSZNUKRJMXMRC-KRWDZBQOSA-N 0 0 436.577 5.674 50 0 IKAARN CC1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000644181 193868914 /nfs/dbraw/zinc/86/89/14/193868914.db2.gz NCFVLJBQXSXZIE-UHFFFAOYSA-N 0 0 425.743 5.771 50 0 IKAARN COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCc2ccccc2)cc1 ZINC000000644211 193869169 /nfs/dbraw/zinc/86/91/69/193869169.db2.gz QXZBNVHGDDAANQ-UHFFFAOYSA-N 0 0 429.303 5.184 50 0 IKAARN Cc1cc(C(F)F)nc2sc(-c3nnc(-c4ccccc4Br)o3)c(N)c21 ZINC000000648842 193871051 /nfs/dbraw/zinc/87/10/51/193871051.db2.gz VJFHJQGCXKHKDB-UHFFFAOYSA-N 0 0 437.269 5.604 50 0 IKAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)nc2n1 ZINC000000648847 193871480 /nfs/dbraw/zinc/87/14/80/193871480.db2.gz ZTKXVTXTJAIIBD-UHFFFAOYSA-N 0 0 445.882 5.427 50 0 IKAARN O=C(NCc1ccc(Cl)cc1Cl)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000000648919 193871519 /nfs/dbraw/zinc/87/15/19/193871519.db2.gz JHWWWZJEYFZBLI-UHFFFAOYSA-N 0 0 447.272 5.571 50 0 IKAARN CCc1ccccc1NC(=O)c1cnn2c1nc(-c1cccc(OC)c1)cc2C(F)(F)F ZINC000000650778 193872060 /nfs/dbraw/zinc/87/20/60/193872060.db2.gz AFXGXFTXZNYGBU-UHFFFAOYSA-N 0 0 440.425 5.238 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1nn(CC)cc1Cl ZINC000000653997 193873768 /nfs/dbraw/zinc/87/37/68/193873768.db2.gz QMLNRZQCCJWGJL-ZDUSSCGKSA-N 0 0 431.945 5.199 50 0 IKAARN O=C(Nc1ccc(Br)cn1)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000651588 193872358 /nfs/dbraw/zinc/87/23/58/193872358.db2.gz WBWUWZQUPJCPIU-UHFFFAOYSA-N 0 0 442.096 5.575 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC[C@H]4CC)cc3n2)s1 ZINC000000655262 193874259 /nfs/dbraw/zinc/87/42/59/193874259.db2.gz SHTULXJPCDBOMP-CYBMUJFWSA-N 0 0 436.503 5.444 50 0 IKAARN CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(COc3ccccc3Cl)cc2)s1 ZINC000000655389 193874279 /nfs/dbraw/zinc/87/42/79/193874279.db2.gz IPHWDSXEARHZHZ-UHFFFAOYSA-N 0 0 428.941 5.455 50 0 IKAARN CCC1=C[C@@](C)(CC)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000006077821 193877720 /nfs/dbraw/zinc/87/77/20/193877720.db2.gz RBHPFOOQFJIKCB-JGCGQSQUSA-N 0 0 443.634 8.457 50 0 IKAARN Cc1ccc(NC(=O)CC2(C(=O)Nc3ccccc3Cc3ccccc3)CCCC2)cc1 ZINC000006084647 193878275 /nfs/dbraw/zinc/87/82/75/193878275.db2.gz JGRSNVHWNINSMU-UHFFFAOYSA-N 0 0 426.560 6.114 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4cccc(Cl)c4)sc3n2)c1 ZINC000000661274 193876151 /nfs/dbraw/zinc/87/61/51/193876151.db2.gz VYUUFRPGXRWSPZ-UHFFFAOYSA-N 0 0 437.952 5.180 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccccc2Cl)cc1 ZINC000000662106 193876845 /nfs/dbraw/zinc/87/68/45/193876845.db2.gz ORRFUSUAQFLGGT-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCCCc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1 ZINC000006161548 193886676 /nfs/dbraw/zinc/88/66/76/193886676.db2.gz VBZUDHUTABOMKP-UHFFFAOYSA-N 0 0 448.419 6.434 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000006200381 193892315 /nfs/dbraw/zinc/89/23/15/193892315.db2.gz XISMDLGZMIRUTE-KNEUKCCGSA-N 0 0 426.004 5.536 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H](CC)N1c2ccccc2C(c2ccccc2)=N[C@H](C)C1=O ZINC000009834001 193900708 /nfs/dbraw/zinc/90/07/08/193900708.db2.gz OJKYFGRGTXVSOX-NTKDMRAZSA-N 0 0 439.559 5.239 50 0 IKAARN Cc1cc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)ccc1Br ZINC000009835610 193901907 /nfs/dbraw/zinc/90/19/07/193901907.db2.gz WFKPGCQEKWNGCQ-UHFFFAOYSA-N 0 0 427.342 5.298 50 0 IKAARN COCCn1c2ccccc2nc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009836819 193902846 /nfs/dbraw/zinc/90/28/46/193902846.db2.gz STKNPFFRZCBIQF-QFIPXVFZSA-N 0 0 435.524 5.294 50 0 IKAARN CCOc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000009847437 193905594 /nfs/dbraw/zinc/90/55/94/193905594.db2.gz MBJVQXYXTHEULY-UHFFFAOYSA-N 0 0 431.513 5.006 50 0 IKAARN COc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000006298653 193897274 /nfs/dbraw/zinc/89/72/74/193897274.db2.gz FEGWGVYSFIPVAX-UHFFFAOYSA-N 0 0 442.231 5.236 50 0 IKAARN C[C@@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000009831782 193899323 /nfs/dbraw/zinc/89/93/23/193899323.db2.gz SWZWWANFAMXZIC-IBGZPJMESA-N 0 0 430.523 5.638 50 0 IKAARN COCC(=O)n1nc(NCc2ccc(C(C)C)cc2)nc1NCc1ccc(C(C)C)cc1 ZINC000009847140 193905277 /nfs/dbraw/zinc/90/52/77/193905277.db2.gz FFZOZVXVCYTRFM-UHFFFAOYSA-N 0 0 435.572 5.036 50 0 IKAARN CSc1ccc(CCNC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)cc1 ZINC000009848296 193906174 /nfs/dbraw/zinc/90/61/74/193906174.db2.gz PKDOESZXOICKRO-UHFFFAOYSA-N 0 0 439.650 5.210 50 0 IKAARN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccc(Cl)cc1 ZINC000009850277 193907347 /nfs/dbraw/zinc/90/73/47/193907347.db2.gz YQLUPEABRRTZJK-AZUAARDMSA-N 0 0 432.973 5.008 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(C)cc1 ZINC000009855891 193908790 /nfs/dbraw/zinc/90/87/90/193908790.db2.gz PREFNSDTHKGAMB-UHFFFAOYSA-N 0 0 438.527 5.050 50 0 IKAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(C)cc3c2=O)cc1 ZINC000009855807 193908797 /nfs/dbraw/zinc/90/87/97/193908797.db2.gz BYZLMOIADVCPDH-UHFFFAOYSA-N 0 0 438.527 5.050 50 0 IKAARN O=S(=O)(/C(=C\c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000050576904 193921791 /nfs/dbraw/zinc/92/17/91/193921791.db2.gz WHIBJKKWUAVFGV-ZHZULCJRSA-N 0 0 428.435 5.554 50 0 IKAARN C[C@H](c1ccccc1)N(CCc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1 ZINC000096275707 193951461 /nfs/dbraw/zinc/95/14/61/193951461.db2.gz INTFPTSUMWDAHP-OAQYLSRUSA-N 0 0 425.532 5.502 50 0 IKAARN COc1ccccc1[C@H](CC(=O)NCC(C)C)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096275328 193951467 /nfs/dbraw/zinc/95/14/67/193951467.db2.gz IMVBNZMRIGAILV-VWLOTQADSA-N 0 0 440.587 5.992 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)cc1)NCCc1ccccn1 ZINC000096276304 193952142 /nfs/dbraw/zinc/95/21/42/193952142.db2.gz PJCPSPLNJHGKRV-HXUWFJFHSA-N 0 0 438.358 5.751 50 0 IKAARN O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000649063 132228546 /nfs/dbraw/zinc/22/85/46/132228546.db2.gz FORCANJNKKGHTI-UHFFFAOYSA-N 0 0 425.768 5.824 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3ccccc3n2)o1 ZINC000000689358 132229384 /nfs/dbraw/zinc/22/93/84/132229384.db2.gz JAZRMDLUYBYDLK-UHFFFAOYSA-N 0 0 425.532 5.382 50 0 IKAARN CC1=CC(C)(C)N(C(=O)/C=C/c2ccco2)c2ccc(OC(=O)/C=C/c3ccco3)cc21 ZINC000000708286 132229585 /nfs/dbraw/zinc/22/95/85/132229585.db2.gz IDYDTONCIAPYDQ-JOWSBRCASA-N 0 0 429.472 5.733 50 0 IKAARN CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1 ZINC000000717186 132229649 /nfs/dbraw/zinc/22/96/49/132229649.db2.gz PPYFZLVGIZQHDT-UHFFFAOYSA-N 0 0 425.912 5.146 50 0 IKAARN Cc1cccc(CC(=O)N2CCN(c3ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc3)CC2)c1 ZINC000000740561 132230230 /nfs/dbraw/zinc/23/02/30/132230230.db2.gz GSLBAKWFEIRWSP-QFIPXVFZSA-N 0 0 449.639 5.287 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@H]1C ZINC000000797191 132230609 /nfs/dbraw/zinc/23/06/09/132230609.db2.gz QYWZBVFNLPJBNN-IBVKSMDESA-N 0 0 442.559 6.009 50 0 IKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1OCc1cn2ccccc2n1 ZINC000009366915 132231173 /nfs/dbraw/zinc/23/11/73/132231173.db2.gz ZQRVGRATTQZCLP-UHFFFAOYSA-N 0 0 426.520 5.156 50 0 IKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C(C)C)c1 ZINC000000831046 132231394 /nfs/dbraw/zinc/23/13/94/132231394.db2.gz XBKDTUYEZNPZDI-UHFFFAOYSA-N 0 0 428.642 5.568 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cc(Br)ccc1Cl ZINC000009569222 132231744 /nfs/dbraw/zinc/23/17/44/132231744.db2.gz XGNJCUCFZUOCCS-UHFFFAOYSA-N 0 0 433.733 5.044 50 0 IKAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCCc2ccccc21 ZINC000000865719 132231941 /nfs/dbraw/zinc/23/19/41/132231941.db2.gz XMNKTNQDAGCBEM-KDOFPFPSSA-N 0 0 432.471 5.198 50 0 IKAARN Cc1cc(C)n(CC(=O)N2c3c(C)cc(C)cc3-c3c(=S)ssc3C2(C)C)n1 ZINC000000887820 132232943 /nfs/dbraw/zinc/23/29/43/132232943.db2.gz NIFISNVVKBQDDV-UHFFFAOYSA-N 0 0 429.636 5.918 50 0 IKAARN Cc1c(NC(=O)N2c3ccccc3Sc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000887825 132232958 /nfs/dbraw/zinc/23/29/58/132232958.db2.gz VAKJGPUXLIMSFQ-UHFFFAOYSA-N 0 0 428.517 5.319 50 0 IKAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CCCc2ccccc21 ZINC000000890847 132233376 /nfs/dbraw/zinc/23/33/76/132233376.db2.gz NLCWANVYEGEXNH-UHFFFAOYSA-N 0 0 447.457 5.373 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCc2ccccc21 ZINC000000901011 132233837 /nfs/dbraw/zinc/23/38/37/132233837.db2.gz SUURSINTCWOPFE-HNNXBMFYSA-N 0 0 443.494 5.622 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000000943973 132235805 /nfs/dbraw/zinc/23/58/05/132235805.db2.gz JZJPIIKNSHFYLR-IBGZPJMESA-N 0 0 449.498 5.137 50 0 IKAARN O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000000996187 132236742 /nfs/dbraw/zinc/23/67/42/132236742.db2.gz QFAPZHZSZCNLBS-UHFFFAOYSA-N 0 0 433.964 5.579 50 0 IKAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000001034127 132236953 /nfs/dbraw/zinc/23/69/53/132236953.db2.gz RUEKODSMRAZLKF-UHFFFAOYSA-N 0 0 433.291 5.468 50 0 IKAARN Cc1ccc(NC(=O)COc2cc(N3CCOCC3)c3ccccc3c2Cl)cc1Cl ZINC000001141010 132237187 /nfs/dbraw/zinc/23/71/87/132237187.db2.gz AZBHUFNWGGFNPW-UHFFFAOYSA-N 0 0 445.346 5.309 50 0 IKAARN Cc1ccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2N2CCCCC2)cc1 ZINC000001149353 132237468 /nfs/dbraw/zinc/23/74/68/132237468.db2.gz NORGTZMLIUIPPB-UHFFFAOYSA-N 0 0 427.548 5.419 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000001150554 132237506 /nfs/dbraw/zinc/23/75/06/132237506.db2.gz YKLCDKIRJCRNOF-UHFFFAOYSA-N 0 0 434.298 5.058 50 0 IKAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2ccc(C(F)(F)F)cc2)C1=O ZINC000001158043 132237889 /nfs/dbraw/zinc/23/78/89/132237889.db2.gz BRFSIZRCZRFWSL-XMHGGMMESA-N 0 0 438.405 5.354 50 0 IKAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NCc1c(C)cc(C)c(C(C)=O)c1C ZINC000009727553 132240261 /nfs/dbraw/zinc/24/02/61/132240261.db2.gz ARKWEJVFDBUCCT-UHFFFAOYSA-N 0 0 440.584 5.061 50 0 IKAARN C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000001381861 132244462 /nfs/dbraw/zinc/24/44/62/132244462.db2.gz DQSCBIIZKWQUIA-OAHLLOKOSA-N 0 0 425.315 5.576 50 0 IKAARN Cc1ccc(C(=O)N2c3ccccc3N(Cc3c(Cl)cccc3Cl)C(=O)[C@H]2C)cc1 ZINC000001381911 132244475 /nfs/dbraw/zinc/24/44/75/132244475.db2.gz PFKPDMMBANWANT-MRXNPFEDSA-N 0 0 439.342 5.884 50 0 IKAARN C[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385971 132244629 /nfs/dbraw/zinc/24/46/29/132244629.db2.gz URZIHVLAMZXZNH-OAHLLOKOSA-N 0 0 442.412 5.427 50 0 IKAARN C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385969 132244651 /nfs/dbraw/zinc/24/46/51/132244651.db2.gz PRRFPOHEZSLQPE-CQSZACIVSA-N 0 0 443.305 5.715 50 0 IKAARN C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385959 132244661 /nfs/dbraw/zinc/24/46/61/132244661.db2.gz ZJCBEEARPWEQHE-CQSZACIVSA-N 0 0 443.305 5.715 50 0 IKAARN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001438499 132245390 /nfs/dbraw/zinc/24/53/90/132245390.db2.gz USRIMXSAOYGXLG-UHFFFAOYSA-N 0 0 447.387 5.171 50 0 IKAARN Cc1ccc(N2C(=O)c3cccc4c(N5CCCCCC5)ccc(c43)C2=O)c2cccnc12 ZINC000001796561 132246773 /nfs/dbraw/zinc/24/67/73/132246773.db2.gz RXNMQBAHIXPIBZ-UHFFFAOYSA-N 0 0 435.527 5.877 50 0 IKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)Nc1cccc(Cl)c1 ZINC000001813615 132246804 /nfs/dbraw/zinc/24/68/04/132246804.db2.gz VDVMLWQKHWAQMG-UHFFFAOYSA-N 0 0 433.023 7.455 50 0 IKAARN CCN(C(=O)N1c2ccccc2Sc2ccccc21)c1nnc(-c2ccccc2)s1 ZINC000001786749 132246820 /nfs/dbraw/zinc/24/68/20/132246820.db2.gz XLRWLXHBSXNDGR-UHFFFAOYSA-N 0 0 430.558 6.454 50 0 IKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)COc1ccccc1Cl ZINC000001798183 132246828 /nfs/dbraw/zinc/24/68/28/132246828.db2.gz GYMNBLMMNFGTSQ-UHFFFAOYSA-N 0 0 448.034 6.829 50 0 IKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001816837 132247037 /nfs/dbraw/zinc/24/70/37/132247037.db2.gz JLGIMDVKTQIQQX-DEOSSOPVSA-N 0 0 425.981 6.024 50 0 IKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nncn1C ZINC000001818643 132247059 /nfs/dbraw/zinc/24/70/59/132247059.db2.gz HIFBDKHQIUFIBF-UHFFFAOYSA-N 0 0 434.637 5.017 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc2ccccc2o1 ZINC000001842055 132247376 /nfs/dbraw/zinc/24/73/76/132247376.db2.gz BVSDHLPWNHXBAM-UHFFFAOYSA-N 0 0 447.482 5.569 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C ZINC000002054468 132247626 /nfs/dbraw/zinc/24/76/26/132247626.db2.gz GKCZEAWOZPUETJ-FQRUVTKNSA-N 0 0 444.550 6.529 50 0 IKAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002052219 132247668 /nfs/dbraw/zinc/24/76/68/132247668.db2.gz HLBQIBOPSMCJFQ-UHFFFAOYSA-N 0 0 429.589 5.322 50 0 IKAARN O=C(c1ccccc1)c1ccc2c3c1cccc3C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000002056013 132247679 /nfs/dbraw/zinc/24/76/79/132247679.db2.gz DYPJTZZNSTZSHT-UHFFFAOYSA-N 0 0 445.396 5.890 50 0 IKAARN O=C(c1ccccc1)c1ccc2c3c1cccc3C(=O)N(c1cccc3ccccc31)C2=O ZINC000002060571 132247761 /nfs/dbraw/zinc/24/77/61/132247761.db2.gz WYIXVHZCAFOWIQ-UHFFFAOYSA-N 0 0 427.459 6.025 50 0 IKAARN CCOc1cccc2c1N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002062329 132247780 /nfs/dbraw/zinc/24/77/80/132247780.db2.gz ZUUMAUOYZCLNAY-UHFFFAOYSA-N 0 0 445.606 6.568 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1c1ccc(F)c(Cl)c1 ZINC000002059606 132247818 /nfs/dbraw/zinc/24/78/18/132247818.db2.gz FMUGBWKYRVFYAD-IBGZPJMESA-N 0 0 431.692 6.013 50 0 IKAARN CCOc1cccc2c1N(C(=O)c1cccc(F)c1)C(C)(C)c1ssc(=S)c1-2 ZINC000002060920 132247822 /nfs/dbraw/zinc/24/78/22/132247822.db2.gz KLWKZOIDCQOFSQ-UHFFFAOYSA-N 0 0 431.579 6.639 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2cccc(Br)c2)N1c1ccc2ccccc2c1 ZINC000002070723 132247971 /nfs/dbraw/zinc/24/79/71/132247971.db2.gz UPRLCXDZMCTUBJ-HSZRJFAPSA-N 0 0 429.317 6.373 50 0 IKAARN O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc21)N1CCCc2ccccc21 ZINC000002081571 132248048 /nfs/dbraw/zinc/24/80/48/132248048.db2.gz UNCGBDXKVNIJIP-UHFFFAOYSA-N 0 0 443.344 6.257 50 0 IKAARN O=C1c2c3c(sc2N[C@@H](c2cc4ccccc4nc2Cl)N1c1ccccc1)CCCC3 ZINC000002171001 132248236 /nfs/dbraw/zinc/24/82/36/132248236.db2.gz XXDJCBYMKKFJDL-HSZRJFAPSA-N 0 0 445.975 6.600 50 0 IKAARN c1ccc(-c2c3c(nn2-c2ccccc2)c(N2CCCCC2)nnc3-c2ccccc2)cc1 ZINC000002181161 132248301 /nfs/dbraw/zinc/24/83/01/132248301.db2.gz JGFZNORIPJIDIX-UHFFFAOYSA-N 0 0 431.543 6.140 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1c1ccccc1 ZINC000002177266 132248330 /nfs/dbraw/zinc/24/83/30/132248330.db2.gz UCZOCOGAZPEFKZ-SANMLTNESA-N 0 0 440.930 6.690 50 0 IKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)COc1nc2ccccc2s1 ZINC000002260866 132250364 /nfs/dbraw/zinc/25/03/64/132250364.db2.gz NKBHJLCJMINGTA-MHZLTWQESA-N 0 0 442.584 6.197 50 0 IKAARN Cc1cc(C)c2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nncn1C ZINC000002260585 132250447 /nfs/dbraw/zinc/25/04/47/132250447.db2.gz MNRAXEGMXLANIQ-UHFFFAOYSA-N 0 0 448.664 5.325 50 0 IKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002261789 132250678 /nfs/dbraw/zinc/25/06/78/132250678.db2.gz YVKCGDJIQAMRDG-VFNWGFHPSA-N 0 0 426.347 6.977 50 0 IKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl ZINC000002268146 132250847 /nfs/dbraw/zinc/25/08/47/132250847.db2.gz USPPXVKRCVRMPM-IERDGZPVSA-N 0 0 441.358 6.351 50 0 IKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl ZINC000002268143 132250851 /nfs/dbraw/zinc/25/08/51/132250851.db2.gz USPPXVKRCVRMPM-HRAATJIYSA-N 0 0 441.358 6.351 50 0 IKAARN COc1cccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)C[C@H]2C)c1 ZINC000002269482 132250885 /nfs/dbraw/zinc/25/08/85/132250885.db2.gz SASIHYJRVRVPCN-GOSISDBHSA-N 0 0 431.561 5.629 50 0 IKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl ZINC000002266597 132250896 /nfs/dbraw/zinc/25/08/96/132250896.db2.gz PHAHQWZBQIQTRX-UZLBHIALSA-N 0 0 432.976 7.147 50 0 IKAARN C[C@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000002270590 132251058 /nfs/dbraw/zinc/25/10/58/132251058.db2.gz CJIMPNHZPWPCSQ-RBISFHTESA-N 0 0 446.550 6.514 50 0 IKAARN COc1cccc(C(=O)N2c3ccccc3[C@H](N(C(=O)C(C)C)c3ccccc3)C[C@@H]2C)c1 ZINC000002290221 132251442 /nfs/dbraw/zinc/25/14/42/132251442.db2.gz URKSXFTZAQULDY-RXFWQSSRSA-N 0 0 442.559 5.865 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@H]1C ZINC000002311969 132251804 /nfs/dbraw/zinc/25/18/04/132251804.db2.gz OIVJVRFFZGVHGX-IBVKSMDESA-N 0 0 444.550 6.529 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@H]1C ZINC000002311971 132251795 /nfs/dbraw/zinc/25/17/95/132251795.db2.gz OIVJVRFFZGVHGX-FQRUVTKNSA-N 0 0 444.550 6.529 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@@H]1C ZINC000002311972 132251851 /nfs/dbraw/zinc/25/18/51/132251851.db2.gz OIVJVRFFZGVHGX-RXFWQSSRSA-N 0 0 444.550 6.529 50 0 IKAARN CCC(CC)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)C(CC)CC)c2ccccc21 ZINC000002313879 132252070 /nfs/dbraw/zinc/25/20/70/132252070.db2.gz DWSBHSMKMDMHMO-FNZWTVRRSA-N 0 0 434.624 6.759 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(c3ccccc3C)CC2)c1-c1ccccc1 ZINC000002390498 132253552 /nfs/dbraw/zinc/25/35/52/132253552.db2.gz FFRJFZMKOKTPDF-UHFFFAOYSA-N 0 0 439.607 5.637 50 0 IKAARN Cc1cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)ccc1Br ZINC000002395232 132253753 /nfs/dbraw/zinc/25/37/53/132253753.db2.gz RMIZAIGBAILBNX-UHFFFAOYSA-N 0 0 426.310 5.099 50 0 IKAARN Cc1ccccc1Cn1c2ccc(Cl)cc2c(-c2ccccc2)c(N2CCOCC2)c1=O ZINC000002405718 132253971 /nfs/dbraw/zinc/25/39/71/132253971.db2.gz FFQPREJCKUQREK-UHFFFAOYSA-N 0 0 444.962 5.515 50 0 IKAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000002410664 132253988 /nfs/dbraw/zinc/25/39/88/132253988.db2.gz NETGICDPISFDOH-UHFFFAOYSA-N 0 0 425.326 5.952 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)cc1)C(=O)C2 ZINC000002417454 132254155 /nfs/dbraw/zinc/25/41/55/132254155.db2.gz OGNBNOOXHYJIFG-RUZDIDTESA-N 0 0 439.914 5.955 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12 ZINC000002434928 132254333 /nfs/dbraw/zinc/25/43/33/132254333.db2.gz HDSAEGNGXWJUOV-UHFFFAOYSA-N 0 0 436.968 5.011 50 0 IKAARN Nc1ccccc1Nc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCCCC2)n1 ZINC000002495602 132254877 /nfs/dbraw/zinc/25/48/77/132254877.db2.gz KSIPSKRXIZYHJH-UHFFFAOYSA-N 0 0 437.551 5.658 50 0 IKAARN Cc1cccc(N2CCN(c3cc(Sc4ccc5ccccc5c4)nc(N)n3)CC2)c1C ZINC000002576497 132255103 /nfs/dbraw/zinc/25/51/03/132255103.db2.gz SNQKVROBPXJULQ-UHFFFAOYSA-N 0 0 441.604 5.307 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(N2CCOCC2)cc1 ZINC000002643208 132255734 /nfs/dbraw/zinc/25/57/34/132255734.db2.gz UBOVRSLYUZTIKU-UHFFFAOYSA-N 0 0 431.561 5.155 50 0 IKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(c3ccccc3)CC2)cc1 ZINC000002714039 132256478 /nfs/dbraw/zinc/25/64/78/132256478.db2.gz FTYFKBYISRJYOC-UHFFFAOYSA-N 0 0 449.533 5.553 50 0 IKAARN C[C@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1 ZINC000002715088 132256540 /nfs/dbraw/zinc/25/65/40/132256540.db2.gz NWARYGWLCPPUFE-KRWDZBQOSA-N 0 0 447.380 6.086 50 0 IKAARN Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1 ZINC000002737974 132256752 /nfs/dbraw/zinc/25/67/52/132256752.db2.gz BPUHCSIBWUKCLD-UHFFFAOYSA-N 0 0 449.598 6.296 50 0 IKAARN O=C1c2cc(Br)ccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(F)c1 ZINC000002745255 132256899 /nfs/dbraw/zinc/25/68/99/132256899.db2.gz PCPJKCVHCLKPIL-HXUWFJFHSA-N 0 0 441.256 5.088 50 0 IKAARN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)CC1 ZINC000002741653 132256988 /nfs/dbraw/zinc/25/69/88/132256988.db2.gz UXPSYZMYDJTPQB-UHFFFAOYSA-N 0 0 441.531 5.164 50 0 IKAARN CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1cccc(Cl)c1 ZINC000002776222 132257090 /nfs/dbraw/zinc/25/70/90/132257090.db2.gz OUEHURWMAYIZJX-UHFFFAOYSA-N 0 0 439.939 5.455 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(C)nc(N3CCCC[C@H]3C)c12 ZINC000002924340 132258890 /nfs/dbraw/zinc/25/88/90/132258890.db2.gz LTEKKZDOSAGCLH-LLVKDONJSA-N 0 0 432.952 5.732 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc(C)nc(N3CCCC[C@@H]3C)c12 ZINC000002924388 132258912 /nfs/dbraw/zinc/25/89/12/132258912.db2.gz QQDGUGJEHAJZGR-LBPRGKRZSA-N 0 0 448.514 5.958 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000002924219 132258919 /nfs/dbraw/zinc/25/89/19/132258919.db2.gz RVLQTERSNRATDQ-GFCCVEGCSA-N 0 0 434.487 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O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cccc2ccccc21 ZINC000009846255 132330016 /nfs/dbraw/zinc/33/00/16/132330016.db2.gz WDLIAXVCNIUYMM-UHFFFAOYSA-N 0 0 435.527 5.055 50 0 IKAARN CCN1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000009850494 132330222 /nfs/dbraw/zinc/33/02/22/132330222.db2.gz XTNVNHZXRZQPGE-UHFFFAOYSA-N 0 0 433.983 5.253 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3C)[C@@H]2c2ccccc2OC)cc1 ZINC000009865028 132330472 /nfs/dbraw/zinc/33/04/72/132330472.db2.gz GYQFSFXRYWUVOL-NVQXNPDNSA-N 0 0 444.531 5.135 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3C)[C@H]2c2ccccc2OC)cc1 ZINC000009865018 132330539 /nfs/dbraw/zinc/33/05/39/132330539.db2.gz GYQFSFXRYWUVOL-ATIYNZHBSA-N 0 0 444.531 5.135 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(F)ccc3C)[C@@H]2c2ccccc2)cc1 ZINC000009868182 132330542 /nfs/dbraw/zinc/33/05/42/132330542.db2.gz BZZLGSZBCLIJMW-DHLKQENFSA-N 0 0 432.495 5.266 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C(C)=O)c3)[C@H]2c2ccccc2)cc1 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C/C=C/c1ccc(OCCCn2c3ccccc3nc2[C@H]2CCCN2C(C)=O)c(OC)c1 ZINC000021787563 518554596 /nfs/dbraw/zinc/55/45/96/518554596.db2.gz OLAASAKHPJMBDJ-UZHKBWCJSA-N 0 0 433.552 5.231 50 0 IKAARN C/C=C/c1ccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(OC)c1 ZINC000024340093 518557490 /nfs/dbraw/zinc/55/74/90/518557490.db2.gz IMRYOZIBTRMZRT-ONEGZZNKSA-N 0 0 437.805 5.134 50 0 IKAARN CC(C)(C)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000015669751 518595478 /nfs/dbraw/zinc/59/54/78/518595478.db2.gz SYNKSLWSMMGINV-UHFFFAOYSA-N 0 0 430.508 5.416 50 0 IKAARN CC(C)(C)C1CCC(OC(=O)CCCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000012364958 518604820 /nfs/dbraw/zinc/60/48/20/518604820.db2.gz UVOYMDNSLPZTSE-UHFFFAOYSA-N 0 0 445.934 6.111 50 0 IKAARN CC(C)(C)CC(=O)N1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000035744778 518614798 /nfs/dbraw/zinc/61/47/98/518614798.db2.gz ACEZDCKQSXLTJR-UHFFFAOYSA-N 0 0 428.964 5.069 50 0 IKAARN CC(C)(C)CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926989 518625568 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430.013 7.343 50 0 IKAARN CC(C)(C)c1cc(C(=O)Nc2ccc(OC(=O)c3ccccc3)cc2)cc(C(C)(C)C)c1 ZINC000002952705 518997141 /nfs/dbraw/zinc/99/71/41/518997141.db2.gz PGDNJFRGGPIZET-UHFFFAOYSA-N 0 0 429.560 6.753 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000009660226 519007568 /nfs/dbraw/zinc/00/75/68/519007568.db2.gz ZEWZBKLTRPVHNX-UHFFFAOYSA-N 0 0 431.919 6.663 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3nnnn3C3CC3)n2C2CCCCC2)cc1 ZINC000012737249 519011674 /nfs/dbraw/zinc/01/16/74/519011674.db2.gz MMSZAKGTWGGZMR-UHFFFAOYSA-N 0 0 437.617 5.362 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000034812534 519014429 /nfs/dbraw/zinc/01/44/29/519014429.db2.gz RCWTYZXFLGDWHA-UHFFFAOYSA-N 0 0 439.559 5.626 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000012567625 519016990 /nfs/dbraw/zinc/01/69/90/519016990.db2.gz ZFZKHMFKNQOZAY-HXUWFJFHSA-N 0 0 435.593 5.077 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020468060 519019033 /nfs/dbraw/zinc/01/90/33/519019033.db2.gz UWDYDQIXFDDYME-JOCHJYFZSA-N 0 0 445.950 6.207 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000035912988 519022353 /nfs/dbraw/zinc/02/23/53/519022353.db2.gz MEIYVJHOIUDFRO-UHFFFAOYSA-N 0 0 445.997 5.716 50 0 IKAARN CC(C)(C)c1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc(Cl)c2)cc1 ZINC000020894662 519023420 /nfs/dbraw/zinc/02/34/20/519023420.db2.gz MFQQBIIRWGYQHR-UHFFFAOYSA-N 0 0 434.927 5.790 50 0 IKAARN CC(C)(C)c1ccc(C2=Nn3c(=O)c4c(-c5ccccc5)csc4nc3SC2)cc1 ZINC000012566605 519024834 /nfs/dbraw/zinc/02/48/34/519024834.db2.gz VBDRTNFQELGVLM-UHFFFAOYSA-N 0 0 431.586 5.781 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000035928082 519033334 /nfs/dbraw/zinc/03/33/34/519033334.db2.gz HAJPNXPGSDHODS-VWLOTQADSA-N 0 0 430.573 6.015 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035928143 519034782 /nfs/dbraw/zinc/03/47/82/519034782.db2.gz SLOYSHKAYFNJSF-RUZDIDTESA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705378 519045553 /nfs/dbraw/zinc/04/55/53/519045553.db2.gz BCJHYCPENQXXBT-UHFFFAOYSA-N 0 0 433.533 5.502 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000012195391 519050465 /nfs/dbraw/zinc/05/04/65/519050465.db2.gz XLAVZOQIROYJGL-YTMVLYRLSA-N 0 0 432.567 7.380 50 0 IKAARN CC(C)(C)c1oc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1COCC(F)(F)F ZINC000012364998 519144234 /nfs/dbraw/zinc/14/42/34/519144234.db2.gz DVFZUECBDLXCFE-UHFFFAOYSA-N 0 0 431.454 6.160 50 0 IKAARN CC(C)C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000001176056 519292920 /nfs/dbraw/zinc/29/29/20/519292920.db2.gz ACLDRWOHNQTWPV-QGZVFWFLSA-N 0 0 439.726 5.296 50 0 IKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000035980397 519451641 /nfs/dbraw/zinc/45/16/41/519451641.db2.gz 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CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1ccccc1F ZINC000022535289 519479128 /nfs/dbraw/zinc/47/91/28/519479128.db2.gz JVOHQSKFQVLVJJ-UHFFFAOYSA-N 0 0 430.486 5.211 50 0 IKAARN CC(C)Cn1cc(NC(=O)Nc2ccc(Br)cc2F)c2ccccc2c1=O ZINC000020847847 519514401 /nfs/dbraw/zinc/51/44/01/519514401.db2.gz IFIKCSNTOZVZEE-UHFFFAOYSA-N 0 0 432.293 5.203 50 0 IKAARN CC(=O)N1CCC(Nc2nc(-c3cccnc3)nc3sc(C)c(-c4ccccc4)c32)CC1 ZINC000012780816 519519102 /nfs/dbraw/zinc/51/91/02/519519102.db2.gz KXPLFGNRGXTPRJ-UHFFFAOYSA-N 0 0 443.576 5.152 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000035945144 519605355 /nfs/dbraw/zinc/60/53/55/519605355.db2.gz AQJBKMWZCWPGOB-LJQANCHMSA-N 0 0 441.591 5.563 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000035945225 519606243 /nfs/dbraw/zinc/60/62/43/519606243.db2.gz CFKIYUUZDAGIBO-UHFFFAOYSA-N 0 0 439.581 5.234 50 0 IKAARN CC(C)CC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1 ZINC000033036278 519608449 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IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cccc(Cl)c1 ZINC000032997387 519639691 /nfs/dbraw/zinc/63/96/91/519639691.db2.gz VSOGRBNQEBJZPE-NRFANRHFSA-N 0 0 440.956 5.384 50 0 IKAARN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)c1cccs1 ZINC000035973323 519653361 /nfs/dbraw/zinc/65/33/61/519653361.db2.gz KXYFFRCIOBURAT-UHFFFAOYSA-N 0 0 431.561 5.992 50 0 IKAARN CC(C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768799 519656576 /nfs/dbraw/zinc/65/65/76/519656576.db2.gz RNBKBRQVTROTKB-AREMUKBSSA-N 0 0 442.578 6.513 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915332 519657493 /nfs/dbraw/zinc/65/74/93/519657493.db2.gz GWLPEBWRTXMUMK-UHFFFAOYSA-N 0 0 441.575 5.574 50 0 IKAARN CC(C)N(c1nc(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1)C(C)C ZINC000034928341 519664266 /nfs/dbraw/zinc/66/42/66/519664266.db2.gz KRIHQAJTWUAFHE-UHFFFAOYSA-N 0 0 439.625 5.435 50 0 IKAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3coc4cc(C)c(C)cc34)n2)s1 ZINC000021903334 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CC(=O)Nc1ccc(-c2cc(C(=O)N[C@@H](c3cccs3)C(C)C)c3ccccc3n2)cc1 ZINC000021728009 519708003 /nfs/dbraw/zinc/70/80/03/519708003.db2.gz QQAYNJHOMZAXGA-RUZDIDTESA-N 0 0 443.572 6.049 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3cc(C)ccc3n2)cc1 ZINC000021662929 519708031 /nfs/dbraw/zinc/70/80/31/519708031.db2.gz WJCKZQNUWHBMKG-UHFFFAOYSA-N 0 0 427.479 5.238 50 0 IKAARN CC(C)CN(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843623 519709778 /nfs/dbraw/zinc/70/97/78/519709778.db2.gz QWRSAFHHYNKMFL-JOCHJYFZSA-N 0 0 438.971 5.350 50 0 IKAARN CC(C)CN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)C1CCCC1 ZINC000036045992 519709901 /nfs/dbraw/zinc/70/99/01/519709901.db2.gz PWNRRTABGHHVCG-UHFFFAOYSA-N 0 0 444.579 5.153 50 0 IKAARN CC(C)CN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843624 519710095 /nfs/dbraw/zinc/71/00/95/519710095.db2.gz QWRSAFHHYNKMFL-QFIPXVFZSA-N 0 0 438.971 5.350 50 0 IKAARN CC(C)NC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000035978833 519710150 /nfs/dbraw/zinc/71/01/50/519710150.db2.gz WXVPHLVOBQMLTE-UHFFFAOYSA-N 0 0 444.535 5.593 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(C(C)C)cc1)CCCC3 ZINC000021539292 519711177 /nfs/dbraw/zinc/71/11/77/519711177.db2.gz NAENVMLSSCLPOZ-RUZDIDTESA-N 0 0 447.648 6.564 50 0 IKAARN CC(=O)Nc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cnn(C(C)C)c2)cc1 ZINC000012708798 519716505 /nfs/dbraw/zinc/71/65/05/519716505.db2.gz HNAUWUYJHCNGBL-AREMUKBSSA-N 0 0 427.552 5.051 50 0 IKAARN CC(=O)Nc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cnn(C(C)C)c2)cc1 ZINC000012708795 519716528 /nfs/dbraw/zinc/71/65/28/519716528.db2.gz HNAUWUYJHCNGBL-SANMLTNESA-N 0 0 427.552 5.051 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035944490 519718252 /nfs/dbraw/zinc/71/82/52/519718252.db2.gz APTZBSFWUBWTOD-UHFFFAOYSA-N 0 0 441.591 5.565 50 0 IKAARN CC(C)CN(Cc1nccn1Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC000035981365 519718643 /nfs/dbraw/zinc/71/86/43/519718643.db2.gz ZEXGWBGFDHGUSX-UHFFFAOYSA-N 0 0 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CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(=O)c5ccccc5)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000253499687 519757321 /nfs/dbraw/zinc/75/73/21/519757321.db2.gz MCVIVMYFDOKJSH-WBZBKIPSSA-N 0 0 438.608 6.186 50 0 IKAARN CC(=O)Oc1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1Br ZINC000012380049 519758749 /nfs/dbraw/zinc/75/87/49/519758749.db2.gz CTHIDSYEPYQMOT-RMKNXTFCSA-N 0 0 426.266 5.018 50 0 IKAARN CC(=O)Oc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(Cl)c2C)c1 ZINC000020662675 519759675 /nfs/dbraw/zinc/75/96/75/519759675.db2.gz ZKEFXTSKXQOWOL-BUHFOSPRSA-N 0 0 430.891 5.443 50 0 IKAARN CC(C)COc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000037396547 519766015 /nfs/dbraw/zinc/76/60/15/519766015.db2.gz VBVPHZPNJVNQIH-UHFFFAOYSA-N 0 0 436.512 5.422 50 0 IKAARN CC(C)Oc1ccc(C(=O)COC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000012858997 519778581 /nfs/dbraw/zinc/77/85/81/519778581.db2.gz DXSLGSRLBXJELW-UHFFFAOYSA-N 0 0 435.954 5.255 50 0 IKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037385262 519785610 /nfs/dbraw/zinc/78/56/10/519785610.db2.gz MRXVWWYEYDTNSM-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385227 519785612 /nfs/dbraw/zinc/78/56/12/519785612.db2.gz WWPDMOBNNOFPFA-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C1CC1 ZINC000035944700 519791362 /nfs/dbraw/zinc/79/13/62/519791362.db2.gz ZROHAUMHLFYHKL-QGZVFWFLSA-N 0 0 442.003 5.441 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035944704 519791389 /nfs/dbraw/zinc/79/13/89/519791389.db2.gz VEIOSUGGHJYXET-GOSISDBHSA-N 0 0 441.591 5.563 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCCc1ccccc1)CCCC3 ZINC000033265508 519807603 /nfs/dbraw/zinc/80/76/03/519807603.db2.gz QCONKENGZFSXHE-XMMPIXPASA-N 0 0 433.621 5.883 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000035945171 519811996 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/nfs/dbraw/zinc/83/37/29/519833729.db2.gz MROCQKONDUBELQ-OAHLLOKOSA-N 0 0 449.498 5.442 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)Cn3ncc4ccccc4c3=O)n2)c(C(C)C)c1 ZINC000024755967 519833805 /nfs/dbraw/zinc/83/38/05/519833805.db2.gz DOKORMBZZCXIKX-UHFFFAOYSA-N 0 0 446.576 5.406 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000017244254 519833866 /nfs/dbraw/zinc/83/38/66/519833866.db2.gz VCWBSSYKXCDGFV-CALCHBBNSA-N 0 0 445.654 5.110 50 0 IKAARN CC(C)c1ccc(-c2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000012897143 519833885 /nfs/dbraw/zinc/83/38/85/519833885.db2.gz DVODQRPRGUKXQI-UHFFFAOYSA-N 0 0 448.419 6.311 50 0 IKAARN CC(C)c1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000022570674 519834175 /nfs/dbraw/zinc/83/41/75/519834175.db2.gz UCTJLFNJRWFDII-UHFFFAOYSA-N 0 0 436.559 5.716 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4F)cc3)C2=O)cc1 ZINC000034734656 519835853 /nfs/dbraw/zinc/83/58/53/519835853.db2.gz XMSXVIYGGRHONJ-UHFFFAOYSA-N 0 0 445.538 6.034 50 0 IKAARN CC(C)c1ccc(CN2CC3(Cc4c5ccccc5ccc42)C(=O)CC(C)(C)CC3=O)cc1 ZINC000015024457 519835858 /nfs/dbraw/zinc/83/58/58/519835858.db2.gz LULBXQJDULKYTA-UHFFFAOYSA-N 0 0 439.599 6.471 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000035910405 519836727 /nfs/dbraw/zinc/83/67/27/519836727.db2.gz NJQPNBWKINLBIM-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000035482115 519836742 /nfs/dbraw/zinc/83/67/42/519836742.db2.gz OCJKTCXXZXPPAJ-SANMLTNESA-N 0 0 449.620 5.694 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3F)c2)cc1 ZINC000035910455 519836754 /nfs/dbraw/zinc/83/67/54/519836754.db2.gz RHCYLITVAPHMDZ-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482095 519836777 /nfs/dbraw/zinc/83/67/77/519836777.db2.gz WFLKRRYSFWCKQU-VWLOTQADSA-N 0 0 435.593 5.304 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1 ZINC000035533391 519837122 /nfs/dbraw/zinc/83/71/22/519837122.db2.gz WWHWODBIKOXUBT-OAHLLOKOSA-N 0 0 441.626 5.177 50 0 IKAARN CC(C)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 ZINC000021042960 519837273 /nfs/dbraw/zinc/83/72/73/519837273.db2.gz ICFFLFAGMHIHPD-UHFFFAOYSA-N 0 0 449.913 5.618 50 0 IKAARN CC(C)c1ccc(Nc2nn(CN3CCN(c4ccccc4F)CC3)c(=S)s2)cc1 ZINC000012649824 519837898 /nfs/dbraw/zinc/83/78/98/519837898.db2.gz JLRGELZICKZYSQ-UHFFFAOYSA-N 0 0 443.617 5.460 50 0 IKAARN CC(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021889553 519839715 /nfs/dbraw/zinc/83/97/15/519839715.db2.gz FYCJPOWEXRBXRV-HHHXNRCGSA-N 0 0 439.534 6.877 50 0 IKAARN CC(C)c1ccc([C@H](N[C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012750949 519840119 /nfs/dbraw/zinc/84/01/19/519840119.db2.gz UGKPWVXFPQOZKT-DQEYMECFSA-N 0 0 434.605 5.151 50 0 IKAARN CC(C)c1ccc([C@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012750938 519840186 /nfs/dbraw/zinc/84/01/86/519840186.db2.gz UGKPWVXFPQOZKT-LOSJGSFVSA-N 0 0 434.605 5.151 50 0 IKAARN CC(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021889603 519840431 /nfs/dbraw/zinc/84/04/31/519840431.db2.gz YGGLIVQRQFNDMQ-SANMLTNESA-N 0 0 425.532 6.009 50 0 IKAARN CC(C)c1ccc2c(c1)N=C(c1ccc(N3CCOCC3)cc1)NC(c1cccs1)=N2 ZINC000020868429 519840539 /nfs/dbraw/zinc/84/05/39/519840539.db2.gz JXFBFUNFUSOXHU-UHFFFAOYSA-N 0 0 430.577 5.659 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000012285311 519840821 /nfs/dbraw/zinc/84/08/21/519840821.db2.gz BPLNFIJHCUUQLH-UHFFFAOYSA-N 0 0 435.321 6.633 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc2ccsc2c(=O)n1C ZINC000012777157 519841172 /nfs/dbraw/zinc/84/11/72/519841172.db2.gz YXZSFTCBBQXEEF-UHFFFAOYSA-N 0 0 429.611 5.363 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000035927498 519844608 /nfs/dbraw/zinc/84/46/08/519844608.db2.gz SVXZXAVZJYGOBD-HHHXNRCGSA-N 0 0 444.600 6.160 50 0 IKAARN CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033274870 519866491 /nfs/dbraw/zinc/86/64/91/519866491.db2.gz URUODFFAHCRGEB-UHFFFAOYSA-N 0 0 440.609 5.093 50 0 IKAARN CCCNC(=O)C1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000012793303 519867258 /nfs/dbraw/zinc/86/72/58/519867258.db2.gz JFKBGKKMSOKNJL-UHFFFAOYSA-N 0 0 431.001 5.011 50 0 IKAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000009192634 519869238 /nfs/dbraw/zinc/86/92/38/519869238.db2.gz ZVXGLHXNWSMCBW-UHFFFAOYSA-N 0 0 435.955 5.194 50 0 IKAARN CCCC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849024 519869249 /nfs/dbraw/zinc/86/92/49/519869249.db2.gz JBDTZDMSPCBAJH-UHFFFAOYSA-N 0 0 426.630 5.067 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCCC4)CC2)n1)CCCCC3 ZINC000035892492 519872444 /nfs/dbraw/zinc/87/24/44/519872444.db2.gz PNEXLAYAZMOVJV-UHFFFAOYSA-N 0 0 440.657 5.313 50 0 IKAARN CC(C)c1nc2oc3c(ncn(Cc4ccc(Cl)cc4)c3=O)c2c2c1COC(C)(C)C2 ZINC000012324916 519872652 /nfs/dbraw/zinc/87/26/52/519872652.db2.gz PEAFSHOLIRMCDW-UHFFFAOYSA-N 0 0 437.927 5.214 50 0 IKAARN CC(C)c1nn(-c2ccc(Cl)c(Cl)c2)c(C(C)C)c1C(=O)NCc1cccnc1 ZINC000035981265 519881524 /nfs/dbraw/zinc/88/15/24/519881524.db2.gz DMIOBVFFBFVYSU-UHFFFAOYSA-N 0 0 431.367 5.751 50 0 IKAARN CCCNC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc32)n1CC ZINC000021498481 519881758 /nfs/dbraw/zinc/88/17/58/519881758.db2.gz YLCUESXEZMSKTA-UHFFFAOYSA-N 0 0 445.592 5.107 50 0 IKAARN CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035977769 519881920 /nfs/dbraw/zinc/88/19/20/519881920.db2.gz CWIWKHMPJQDTQL-UHFFFAOYSA-N 0 0 447.554 6.076 50 0 IKAARN CCCNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 ZINC000035768487 519882058 /nfs/dbraw/zinc/88/20/58/519882058.db2.gz HEMCXQSEAXKUEO-DEOSSOPVSA-N 0 0 448.969 6.530 50 0 IKAARN CCCC(CCC)C(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3C)s2)CC1 ZINC000033114007 519883086 /nfs/dbraw/zinc/88/30/86/519883086.db2.gz WLCYOZMBBQJTJE-UHFFFAOYSA-N 0 0 428.602 5.021 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000035980323 519883101 /nfs/dbraw/zinc/88/31/01/519883101.db2.gz ZGAZSQCMLOCGSM-UHFFFAOYSA-N 0 0 440.975 5.958 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000035971012 519883246 /nfs/dbraw/zinc/88/32/46/519883246.db2.gz UNFLGTYHZNAYKX-UHFFFAOYSA-N 0 0 438.959 5.710 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1 ZINC000035980349 519883442 /nfs/dbraw/zinc/88/34/42/519883442.db2.gz YGSXEAYVAIHWEJ-UHFFFAOYSA-N 0 0 448.567 5.220 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000035978415 519883456 /nfs/dbraw/zinc/88/34/56/519883456.db2.gz PTCKLKMLYSJAKG-UHFFFAOYSA-N 0 0 436.556 5.312 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OCC)cc1)CCCC3 ZINC000021917714 519883889 /nfs/dbraw/zinc/88/38/89/519883889.db2.gz GJBKERYZGLIJDO-DEOSSOPVSA-N 0 0 449.620 5.841 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(OC)c1)CCCC3 ZINC000015735529 519884090 /nfs/dbraw/zinc/88/40/90/519884090.db2.gz NCUXXIDFFQSUSZ-QHCPKHFHSA-N 0 0 435.593 5.451 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cccc(Cl)c1 ZINC000023328892 519901214 /nfs/dbraw/zinc/90/12/14/519901214.db2.gz MLOQNOSVLNASCL-UHFFFAOYSA-N 0 0 432.973 5.585 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1c(F)ccc(C)c1F ZINC000023336845 519901329 /nfs/dbraw/zinc/90/13/29/519901329.db2.gz MKAVROJTEDXCAY-UHFFFAOYSA-N 0 0 448.535 5.519 50 0 IKAARN CCCNC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1NCc1ccc(Cl)cc1 ZINC000033126538 519906007 /nfs/dbraw/zinc/90/60/07/519906007.db2.gz LTSMMMFYGTWLAF-UHFFFAOYSA-N 0 0 433.943 5.134 50 0 IKAARN CCCCC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865407 519908173 /nfs/dbraw/zinc/90/81/73/519908173.db2.gz WCMWNFWYFOHTLA-IAGOWNOFSA-N 0 0 428.646 5.168 50 0 IKAARN CC(C)c1noc([C@@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)n1 ZINC000012528112 519908475 /nfs/dbraw/zinc/90/84/75/519908475.db2.gz KRKIDZCSAUSOJK-OAHLLOKOSA-N 0 0 439.972 5.871 50 0 IKAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000034921536 519915178 /nfs/dbraw/zinc/91/51/78/519915178.db2.gz QKZSZUJOFLAXJC-UHFFFAOYSA-N 0 0 439.581 5.378 50 0 IKAARN CCCCC(=O)Nc1ccccc1SCc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000021888485 519916015 /nfs/dbraw/zinc/91/60/15/519916015.db2.gz VHUDCYBHEOIWKI-UHFFFAOYSA-N 0 0 449.601 5.844 50 0 IKAARN CC(C)n1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017099908 519922387 /nfs/dbraw/zinc/92/23/87/519922387.db2.gz VOVZIEBTJCOLNE-CYBMUJFWSA-N 0 0 436.021 6.797 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865781 519925486 /nfs/dbraw/zinc/92/54/86/519925486.db2.gz VFJDONYGIKWVMY-QGZVFWFLSA-N 0 0 428.646 5.168 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035849292 519925971 /nfs/dbraw/zinc/92/59/71/519925971.db2.gz ASQIALCMBJZBCF-KRWDZBQOSA-N 0 0 428.646 5.313 50 0 IKAARN CCCCCC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000034921694 519938266 /nfs/dbraw/zinc/93/82/66/519938266.db2.gz PUOGWBYHOHDSMN-JOCHJYFZSA-N 0 0 445.648 5.215 50 0 IKAARN CCCCCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035849384 519953585 /nfs/dbraw/zinc/95/35/85/519953585.db2.gz BKGMGSIEYJBJTO-SFHVURJKSA-N 0 0 442.673 5.703 50 0 IKAARN CCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865286 519953759 /nfs/dbraw/zinc/95/37/59/519953759.db2.gz SAZLLUUILNIQTM-QGZVFWFLSA-N 0 0 440.657 5.313 50 0 IKAARN CC(C)n1cc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(-c3ccccc3)c2)cn1 ZINC000012314716 519976476 /nfs/dbraw/zinc/97/64/76/519976476.db2.gz XYUKLSIWEKGFKM-HHHXNRCGSA-N 0 0 436.563 5.279 50 0 IKAARN CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1 ZINC000020904328 520035249 /nfs/dbraw/zinc/03/52/49/520035249.db2.gz INZXZCQLUUCVTR-DNQXCXABSA-N 0 0 432.589 5.738 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000012679515 520079691 /nfs/dbraw/zinc/07/96/91/520079691.db2.gz SMHZAYMPTGFMIP-UHFFFAOYSA-N 0 0 439.519 5.058 50 0 IKAARN CCN(C(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)c1cc(Cl)ccc1OC ZINC000020286821 520092437 /nfs/dbraw/zinc/09/24/37/520092437.db2.gz WJZAZZHNDAAIDI-UHFFFAOYSA-N 0 0 429.347 6.096 50 0 IKAARN CCCCCCOc1ccc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)cc1 ZINC000012530966 520103140 /nfs/dbraw/zinc/10/31/40/520103140.db2.gz HJAUIZMPXXEMMH-UHFFFAOYSA-N 0 0 436.559 7.246 50 0 IKAARN CCCCCCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1Br ZINC000012137523 520104923 /nfs/dbraw/zinc/10/49/23/520104923.db2.gz GMNJQYAOMIUITQ-UHFFFAOYSA-N 0 0 441.435 5.345 50 0 IKAARN CCCCCCOc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1OC ZINC000012528387 520106106 /nfs/dbraw/zinc/10/61/06/520106106.db2.gz WBMANSYYJGJMOY-UHFFFAOYSA-N 0 0 425.554 5.755 50 0 IKAARN CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012555156 520107998 /nfs/dbraw/zinc/10/79/98/520107998.db2.gz PCCIVZOMRFDMLE-ZEQKJWHPSA-N 0 0 432.589 6.950 50 0 IKAARN CCCCCCOc1ccccc1-c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000023434899 520108437 /nfs/dbraw/zinc/10/84/37/520108437.db2.gz BHXCCWYAOQZPQX-UHFFFAOYSA-N 0 0 426.560 6.629 50 0 IKAARN CCCCCCc1cc2cc(-c3cn4c5ccc(C)cc5sc4n3)c(=O)oc2cc1O ZINC000020645661 520135740 /nfs/dbraw/zinc/13/57/40/520135740.db2.gz JQXIIXLBXOPUCA-UHFFFAOYSA-N 0 0 432.545 6.459 50 0 IKAARN CCCCCCc1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 ZINC000012419802 520137558 /nfs/dbraw/zinc/13/75/58/520137558.db2.gz SVHISHXIAVPZAJ-UHFFFAOYSA-N 0 0 432.571 7.248 50 0 IKAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC(C)(C)C ZINC000035809399 520154208 /nfs/dbraw/zinc/15/42/08/520154208.db2.gz WFVRWEFIWUIBPM-UHFFFAOYSA-N 0 0 440.628 5.614 50 0 IKAARN CCN(C)C(=O)c1ccc(/C=C2\SC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000034760839 520218552 /nfs/dbraw/zinc/21/85/52/520218552.db2.gz GIAYEIBTYKKIGW-PDGQHHTCSA-N 0 0 448.466 5.034 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085700 520219262 /nfs/dbraw/zinc/21/92/62/520219262.db2.gz IGNBVFVDZWSPDV-UHFFFAOYSA-N 0 0 432.499 5.360 50 0 IKAARN CC1(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCC1 ZINC000012523947 520236357 /nfs/dbraw/zinc/23/63/57/520236357.db2.gz XJQYSPCNUSZTIW-UHFFFAOYSA-N 0 0 426.460 5.025 50 0 IKAARN CCOP(=O)(CN(CCc1ccccc1)C(=S)Nc1ccccc1CC)OCC ZINC000020680123 520240276 /nfs/dbraw/zinc/24/02/76/520240276.db2.gz KVKUFNLRKCRWCT-UHFFFAOYSA-N 0 0 434.542 5.714 50 0 IKAARN CCCCCOc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000012621681 520252350 /nfs/dbraw/zinc/25/23/50/520252350.db2.gz CHHWMAZKIIDEPP-UHFFFAOYSA-N 0 0 431.532 5.318 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012194291 520255910 /nfs/dbraw/zinc/25/59/10/520255910.db2.gz DRNMZJKMURLSBL-IAPPQJPRSA-N 0 0 426.560 6.806 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000012194580 520256326 /nfs/dbraw/zinc/25/63/26/520256326.db2.gz KVNZKNXBBWKINH-AMGIVPHBSA-N 0 0 446.547 6.408 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012617504 520258216 /nfs/dbraw/zinc/25/82/16/520258216.db2.gz DXUDXOSBBKSSCI-XNMGPUDCSA-N 0 0 430.523 6.637 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012193029 520258446 /nfs/dbraw/zinc/25/84/46/520258446.db2.gz QHUCHETWCXZLTG-IXCJQBJRSA-N 0 0 442.559 6.507 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000012192889 520258840 /nfs/dbraw/zinc/25/88/40/520258840.db2.gz QCAJQTVUTNCVIG-RBJSKKJNSA-N 0 0 442.559 6.507 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000012192900 520259125 /nfs/dbraw/zinc/25/91/25/520259125.db2.gz QCAJQTVUTNCVIG-UFHPHHKVSA-N 0 0 442.559 6.507 50 0 IKAARN CCCCCSc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020464020 520273470 /nfs/dbraw/zinc/27/34/70/520273470.db2.gz QMDYRIRMMXRQIJ-UHFFFAOYSA-N 0 0 442.654 5.973 50 0 IKAARN CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)CCCC3 ZINC000012650420 520274459 /nfs/dbraw/zinc/27/44/59/520274459.db2.gz VSMJDGIWHANTFH-UHFFFAOYSA-N 0 0 438.622 5.564 50 0 IKAARN CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)c(=O)[nH]c2C1 ZINC000021365699 520275003 /nfs/dbraw/zinc/27/50/03/520275003.db2.gz PCURTOQPNARCLK-UHFFFAOYSA-N 0 0 442.540 6.113 50 0 IKAARN CC1(C)CC(=O)[C@H]2[C@H](c3ccc(Br)cc3)c3c(ccc4ncccc43)N[C@H]2C1 ZINC000012402414 520275732 /nfs/dbraw/zinc/27/57/32/520275732.db2.gz UNOUMYXBWDDTAL-WPYKKVEZSA-N 0 0 435.365 5.929 50 0 IKAARN CCCOc1c(Br)cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1OC ZINC000012555355 520289480 /nfs/dbraw/zinc/28/94/80/520289480.db2.gz VVTMFSPGUZNLGJ-UHFFFAOYSA-N 0 0 448.342 5.017 50 0 IKAARN CCCOc1c(Cl)cc(/C=C/C(=O)N(c2nc(C)cs2)c2ccccc2)cc1OC ZINC000013128421 520291757 /nfs/dbraw/zinc/29/17/57/520291757.db2.gz UILFTOZEAXCIKE-ZHACJKMWSA-N 0 0 442.968 6.280 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC ZINC000012934871 520292397 /nfs/dbraw/zinc/29/23/97/520292397.db2.gz CNWBPNFDOMSJNV-HNNXBMFYSA-N 0 0 444.984 5.767 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OCC ZINC000012627633 520292663 /nfs/dbraw/zinc/29/26/63/520292663.db2.gz ZDLVOUKUJVZPIV-LJQANCHMSA-N 0 0 427.932 5.381 50 0 IKAARN CCCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC ZINC000012601518 520293240 /nfs/dbraw/zinc/29/32/40/520293240.db2.gz ITCLXNGZLBOMCS-CTDFXDFQSA-N 0 0 439.943 5.391 50 0 IKAARN CCCOc1cc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1OC ZINC000012604116 520299310 /nfs/dbraw/zinc/29/93/10/520299310.db2.gz PUVRDWVFVRSKKA-JJIBRWJFSA-N 0 0 448.544 5.332 50 0 IKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](C)c1ccccc1 ZINC000012659400 520315140 /nfs/dbraw/zinc/31/51/40/520315140.db2.gz IEIBAPNQGPRFSL-SILGLVTRSA-N 0 0 441.656 6.297 50 0 biogenic IKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1 ZINC000012660087 520315298 /nfs/dbraw/zinc/31/52/98/520315298.db2.gz COGZGMNTPXRPRY-NUFLADBHSA-N 0 0 441.656 5.779 50 0 biogenic IKAARN CCCOc1ccc(/C=C/C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1OCC ZINC000012927216 520320393 /nfs/dbraw/zinc/32/03/93/520320393.db2.gz ISYWUBUOXCPKKM-WUXMJOGZSA-N 0 0 425.456 5.425 50 0 IKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@@H](C(=O)OCC)c3cccc(OC)c3)C2)cc1 ZINC000022652404 520322964 /nfs/dbraw/zinc/32/29/64/520322964.db2.gz OEEMFGIAEYPUOQ-MZKUHISZSA-N 0 0 449.591 5.449 50 0 IKAARN CCCCCn1cc(C2CCN(C(=O)CCCCCCC(=O)OC)CC2)c2ccccc21 ZINC000022623167 520332667 /nfs/dbraw/zinc/33/26/67/520332667.db2.gz SXYMVFVCMBFXPQ-UHFFFAOYSA-N 0 0 440.628 6.051 50 0 IKAARN CCCCN(C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1 ZINC000021337272 520337709 /nfs/dbraw/zinc/33/77/09/520337709.db2.gz KDNVQZKRBSVJKN-CCEZHUSRSA-N 0 0 437.540 5.813 50 0 IKAARN CCCOc1ccc(CNC(=O)c2[nH]c3cc(C)ccc3c2Sc2ccccc2)cc1 ZINC000020466764 520361190 /nfs/dbraw/zinc/36/11/90/520361190.db2.gz ZRVLTACCYFNAFH-UHFFFAOYSA-N 0 0 430.573 6.346 50 0 IKAARN CCCOc1ccc(NC(=O)Cn2c(=S)[nH]nc2-c2cccc(C)c2)cc1OCCC ZINC000012741589 520390579 /nfs/dbraw/zinc/39/05/79/520390579.db2.gz GMRNDRBFBKYNLW-UHFFFAOYSA-N 0 0 440.569 5.132 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1OC ZINC000021726030 520421047 /nfs/dbraw/zinc/42/10/47/520421047.db2.gz HGXBHINJSSYUFM-INIZCTEOSA-N 0 0 448.548 5.062 50 0 IKAARN CCCOc1ccc([C@@H]2SCCNc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000020442990 520423970 /nfs/dbraw/zinc/42/39/70/520423970.db2.gz OFOAFMXMHMVAAB-SANMLTNESA-N 0 0 441.600 6.576 50 0 IKAARN CCCOc1ccc([C@H]2SCCNc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000020442994 520434494 /nfs/dbraw/zinc/43/44/94/520434494.db2.gz OFOAFMXMHMVAAB-AREMUKBSSA-N 0 0 441.600 6.576 50 0 IKAARN CCCCN(C)c1ccc(C(=O)OC)cc1NC(=S)Nc1cc(Cl)ccc1OC ZINC000020679728 520435700 /nfs/dbraw/zinc/43/57/00/520435700.db2.gz ZSYWVYIEFVIRMR-UHFFFAOYSA-N 0 0 435.977 5.180 50 0 IKAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccc3cccc(F)c3n2)CC1 ZINC000012094408 520458224 /nfs/dbraw/zinc/45/82/24/520458224.db2.gz XRBPACLZIMATMJ-UHFFFAOYSA-N 0 0 448.538 5.182 50 0 IKAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)CC2=CCCCC2)CC1 ZINC000012313854 520465558 /nfs/dbraw/zinc/46/55/58/520465558.db2.gz RNNKXSLKYLXQLE-UHFFFAOYSA-N 0 0 437.502 5.310 50 0 IKAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000017296806 520475600 /nfs/dbraw/zinc/47/56/00/520475600.db2.gz DMQFWNZFHTUUMJ-XMMPIXPASA-N 0 0 446.572 5.117 50 0 IKAARN CCCCN(CC)c1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccc(Cl)cc21 ZINC000020859646 520484967 /nfs/dbraw/zinc/48/49/67/520484967.db2.gz AWENSZKXLXUTAT-UHFFFAOYSA-N 0 0 447.892 6.243 50 0 IKAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(OC)cc2s1 ZINC000033271637 520487564 /nfs/dbraw/zinc/48/75/64/520487564.db2.gz JGOZHYOAEVQFPB-QGZVFWFLSA-N 0 0 448.548 5.062 50 0 IKAARN CCN(CC)C(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035815742 520496849 /nfs/dbraw/zinc/49/68/49/520496849.db2.gz AUVAVMOBRSFVRB-AREMUKBSSA-N 0 0 442.578 6.528 50 0 IKAARN CCN(CC)C(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768770 520499015 /nfs/dbraw/zinc/49/90/15/520499015.db2.gz JJZGEHUBCHPWJO-VWLOTQADSA-N 0 0 428.551 6.219 50 0 IKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000009311222 520499141 /nfs/dbraw/zinc/49/91/41/520499141.db2.gz ZDJACPCMNHXVIX-UHFFFAOYSA-N 0 0 444.648 7.192 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1ccc(F)cc1 ZINC000023460358 520517035 /nfs/dbraw/zinc/51/70/35/520517035.db2.gz FEYTVLXABSSSDI-UHFFFAOYSA-N 0 0 430.523 6.645 50 0 IKAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)nc2)C1 ZINC000035924657 520528095 /nfs/dbraw/zinc/52/80/95/520528095.db2.gz UWIAZMARKHZJQP-RUZDIDTESA-N 0 0 447.623 5.517 50 0 IKAARN CCN(CC)C(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899101 520563890 /nfs/dbraw/zinc/56/38/90/520563890.db2.gz FODBGCOAZZZNCQ-GFCCVEGCSA-N 0 0 433.396 5.133 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@H]1c1cccc(Cl)c1 ZINC000034927676 520567053 /nfs/dbraw/zinc/56/70/53/520567053.db2.gz CYGABHLQHCHTQN-DNQXCXABSA-N 0 0 447.966 5.132 50 0 IKAARN CCOC(=O)C1CCN(c2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035848798 520584142 /nfs/dbraw/zinc/58/41/42/520584142.db2.gz LREFBKYWXAYKAQ-UHFFFAOYSA-N 0 0 449.620 5.135 50 0 IKAARN CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000033349394 520594021 /nfs/dbraw/zinc/59/40/21/520594021.db2.gz WGNPSBOGKNDCJS-OQLLNIDSSA-N 0 0 428.724 6.286 50 0 IKAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC ZINC000012601765 520594243 /nfs/dbraw/zinc/59/42/43/520594243.db2.gz PYQINLQORPDQES-VYENPZKTSA-N 0 0 425.916 5.001 50 0 IKAARN CCCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)C1=O ZINC000012420091 520601453 /nfs/dbraw/zinc/60/14/53/520601453.db2.gz QPMGJQBZIKMTDH-RUZDIDTESA-N 0 0 449.913 5.551 50 0 IKAARN CCC[C@@H](C)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022639887 520607229 /nfs/dbraw/zinc/60/72/29/520607229.db2.gz GGXDNPKWZSDNLP-GCJKJVERSA-N 0 0 429.402 5.119 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc21 ZINC000032986595 520611382 /nfs/dbraw/zinc/61/13/82/520611382.db2.gz YDXIBOROLIZNLN-UHFFFAOYSA-N 0 0 430.935 6.823 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21 ZINC000032986735 520611493 /nfs/dbraw/zinc/61/14/93/520611493.db2.gz CCNODTSDJSUNMO-UHFFFAOYSA-N 0 0 440.499 5.268 50 0 IKAARN CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000012659517 520612281 /nfs/dbraw/zinc/61/22/81/520612281.db2.gz HSEWPIHTOBJTEK-BYNJWEBRSA-N 0 0 443.543 6.679 50 0 biogenic IKAARN CCOc1cc(-c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021149269 520612390 /nfs/dbraw/zinc/61/23/90/520612390.db2.gz UIULURRQQJQUOG-UHFFFAOYSA-N 0 0 444.483 5.703 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cccc(OC)c3)cc21 ZINC000032986513 520612978 /nfs/dbraw/zinc/61/29/78/520612978.db2.gz AYTHOFPOSHHPSQ-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CCOc1cc(C2N=NC(=S)N2Cc2ccc(Cl)cc2)cc(OCC)c1OCC ZINC000017098706 520613180 /nfs/dbraw/zinc/61/31/80/520613180.db2.gz OWQCJUILLQVUDB-UHFFFAOYSA-N 0 0 433.961 5.132 50 0 IKAARN CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000012602319 520616730 /nfs/dbraw/zinc/61/67/30/520616730.db2.gz BUUQPBMMBRTQII-GNISGLHKSA-N 0 0 425.916 5.001 50 0 IKAARN CCCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035805720 520627868 /nfs/dbraw/zinc/62/78/68/520627868.db2.gz VBMFHZIDFKKFAA-VWLOTQADSA-N 0 0 428.551 6.267 50 0 IKAARN CCCCNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C)c1 ZINC000034889654 520629196 /nfs/dbraw/zinc/62/91/96/520629196.db2.gz ZMASBSKSYPZDMF-SANMLTNESA-N 0 0 442.578 6.575 50 0 IKAARN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000012468927 520630063 /nfs/dbraw/zinc/63/00/63/520630063.db2.gz XIMJWGVNHLCOMW-ODLFYWEKSA-N 0 0 440.326 6.464 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000015229335 520631624 /nfs/dbraw/zinc/63/16/24/520631624.db2.gz MVSTXZCFSVQGLB-STZFKDTASA-N 0 0 445.446 5.097 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](NC1CCCCC1)C(Cl)(Cl)Cl ZINC000035047587 520649971 /nfs/dbraw/zinc/64/99/71/520649971.db2.gz KBOJCECEPHHEFJ-QKCSRTOESA-N 0 0 436.638 5.312 50 0 IKAARN CCC[C@@H](C)NC(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 ZINC000012782452 520652868 /nfs/dbraw/zinc/65/28/68/520652868.db2.gz ROPHKQDEBAJEJS-WTNCMQEWSA-N 0 0 425.476 5.165 50 0 IKAARN CCOC(=O)CCCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000035691370 520662137 /nfs/dbraw/zinc/66/21/37/520662137.db2.gz OYESONSRSKVJLR-UHFFFAOYSA-N 0 0 437.348 5.128 50 0 IKAARN CCOc1cc(C(=O)Nc2nc3c(cccc3C)s2)ccc1OCCOc1ccccc1 ZINC000012568879 520669965 /nfs/dbraw/zinc/66/99/65/520669965.db2.gz ZFSOTESDSBVYOR-UHFFFAOYSA-N 0 0 448.544 5.714 50 0 IKAARN CCC[C@@H](CNC(=O)CSc1nnc(CSC)o1)c1ccc(Cl)cc1Cl ZINC000022094819 520707827 /nfs/dbraw/zinc/70/78/27/520707827.db2.gz VOHPMJQFSGMBIJ-NSHDSACASA-N 0 0 434.414 5.032 50 0 IKAARN CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccccc1 ZINC000012746435 520728650 /nfs/dbraw/zinc/72/86/50/520728650.db2.gz JHUWOYBSSRCYHA-RUZDIDTESA-N 0 0 444.575 5.358 50 0 IKAARN CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000012599385 520747556 /nfs/dbraw/zinc/74/75/56/520747556.db2.gz JYKFBMVOAOFWHI-HRAATJIYSA-N 0 0 438.572 5.557 50 0 IKAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 ZINC000012528725 520754817 /nfs/dbraw/zinc/75/48/17/520754817.db2.gz KLQQDBUUVTXAQW-HSZRJFAPSA-N 0 0 441.531 5.142 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc(Cl)c1O ZINC000015946250 520785630 /nfs/dbraw/zinc/78/56/30/520785630.db2.gz PGDJIJHLTGKWCX-RBZFPXEDSA-N 0 0 449.016 6.476 50 0 IKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000015822408 520789679 /nfs/dbraw/zinc/78/96/79/520789679.db2.gz DMIINQQUSNAUCJ-PJYWLYPCSA-N 0 0 447.456 5.450 50 0 IKAARN CCOc1cc2c(cc1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl)O[C@@H](C)C2 ZINC000024317406 520792302 /nfs/dbraw/zinc/79/23/02/520792302.db2.gz LBEFMDNAKZUZGI-LBPRGKRZSA-N 0 0 444.890 5.095 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccccc2C(C)(C)C)c1 ZINC000012514442 520794527 /nfs/dbraw/zinc/79/45/27/520794527.db2.gz BZWIGCNXEMGXRK-UHFFFAOYSA-N 0 0 433.643 5.132 50 0 IKAARN CCOc1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3onc(C)c31)O[C@H](C)C2 ZINC000022320033 520796021 /nfs/dbraw/zinc/79/60/21/520796021.db2.gz IBWCNIONDJCWAD-CQSZACIVSA-N 0 0 429.476 5.173 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)cc1)N(c1ccc(C(C)C)cc1)C(=O)C2 ZINC000020868007 520799620 /nfs/dbraw/zinc/79/96/20/520799620.db2.gz NPLZHTUVTWBFKZ-NDEPHWFRSA-N 0 0 447.550 6.425 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)c1)N(c1ccc(C)c(F)c1)C(=O)C2 ZINC000020867969 520799867 /nfs/dbraw/zinc/79/98/67/520799867.db2.gz OYSHGBGAKPLBCJ-MHZLTWQESA-N 0 0 433.523 5.919 50 0 IKAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)Nc2ccc(C)cc2)c3C)cc1OCC ZINC000021913942 520803533 /nfs/dbraw/zinc/80/35/33/520803533.db2.gz CLGPOQHVZMDGFZ-UHFFFAOYSA-N 0 0 444.535 5.371 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(Cl)cc3)no2)cc1 ZINC000015833087 520805068 /nfs/dbraw/zinc/80/50/68/520805068.db2.gz YSAALTROKVXVCC-UHFFFAOYSA-N 0 0 436.895 5.829 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000009660235 520805503 /nfs/dbraw/zinc/80/55/03/520805503.db2.gz CSTMYOWZXNHDQJ-UHFFFAOYSA-N 0 0 434.879 6.156 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000012622187 520807874 /nfs/dbraw/zinc/80/78/74/520807874.db2.gz UCBUOHULJPFDJW-MRXNPFEDSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 ZINC000012442171 520811445 /nfs/dbraw/zinc/81/14/45/520811445.db2.gz CYJHVYWCPDZEMW-QGZVFWFLSA-N 0 0 448.548 5.109 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccccc1C)n2C(C)C ZINC000023425085 520813861 /nfs/dbraw/zinc/81/38/61/520813861.db2.gz QLQFBZQJFLBUHK-UHFFFAOYSA-N 0 0 431.627 5.248 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)cc1 ZINC000021658056 520817994 /nfs/dbraw/zinc/81/79/94/520817994.db2.gz MHKNVTMOOPYZIY-UHFFFAOYSA-N 0 0 431.521 5.240 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nnc(-c4ccccc4OC)o3)cs2)cc1 ZINC000012902391 520819566 /nfs/dbraw/zinc/81/95/66/520819566.db2.gz UGOHWEBMQPGSSU-UHFFFAOYSA-N 0 0 425.535 5.560 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)Nc3ccccc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996415 520823907 /nfs/dbraw/zinc/82/39/07/520823907.db2.gz HHEONGBOQWDSOU-UHFFFAOYSA-N 0 0 440.478 5.428 50 0 IKAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2S[C@@H](C)c2ccccc2)cc1 ZINC000017315062 520830586 /nfs/dbraw/zinc/83/05/86/520830586.db2.gz XANMORFDPBPOSQ-KRWDZBQOSA-N 0 0 441.556 6.119 50 0 IKAARN CCOc1ccc(-n2c(/C=C\c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 ZINC000020662599 520831184 /nfs/dbraw/zinc/83/11/84/520831184.db2.gz CCDRHHOQYKPFRH-GDNBJRDFSA-N 0 0 436.433 5.974 50 0 IKAARN CCOc1ccc(-n2c(SCc3nc(CC)no3)nnc2-c2cccc(Cl)c2)cc1 ZINC000012770036 520835099 /nfs/dbraw/zinc/83/50/99/520835099.db2.gz USCXEGVQIAOUHY-UHFFFAOYSA-N 0 0 441.944 5.224 50 0 IKAARN CCOc1ccc(-n2c(S[C@@H](C)c3nc(C)no3)nnc2-c2cccc(Cl)c2)cc1 ZINC000012747764 520835706 /nfs/dbraw/zinc/83/57/06/520835706.db2.gz WAUYMNRVLCTFIV-ZDUSSCGKSA-N 0 0 441.944 5.531 50 0 IKAARN CCCCOc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(F)c4)cs3)n2)cc1 ZINC000032955101 520850656 /nfs/dbraw/zinc/85/06/56/520850656.db2.gz FBNLWXBNCWQZNT-UHFFFAOYSA-N 0 0 440.565 6.927 50 0 IKAARN CCOc1ccc(/N=c2\cc(-c3ccc(O)cc3)cc(OCC)c3c(C)oc(C)c32)cc1 ZINC000012658955 520860566 /nfs/dbraw/zinc/86/05/66/520860566.db2.gz QAOAQONRZVZMSP-ZZIIXHQDSA-N 0 0 429.516 6.452 50 0 biogenic IKAARN CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)cc1 ZINC000020285585 520861532 /nfs/dbraw/zinc/86/15/32/520861532.db2.gz BWMFUKHYAXFDLG-BZZOAKBMSA-N 0 0 439.920 5.550 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1OC ZINC000014673194 520872262 /nfs/dbraw/zinc/87/22/62/520872262.db2.gz VLXIBIILBDGAPH-UHFFFAOYSA-N 0 0 448.350 5.678 50 0 IKAARN CCCCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000012311619 520874197 /nfs/dbraw/zinc/87/41/97/520874197.db2.gz FVGSBAZRLKVEDP-UHFFFAOYSA-N 0 0 442.609 7.674 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)n2C)cc1 ZINC000022434770 520878070 /nfs/dbraw/zinc/87/80/70/520878070.db2.gz KFOFQDXVKAHLMS-INIZCTEOSA-N 0 0 433.581 5.173 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000012194088 520895350 /nfs/dbraw/zinc/89/53/50/520895350.db2.gz XSZDHVSPNKKBEJ-IAPPQJPRSA-N 0 0 442.559 6.507 50 0 IKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020464211 520899481 /nfs/dbraw/zinc/89/94/81/520899481.db2.gz NTFZAGSSBIGQBY-GOSISDBHSA-N 0 0 432.549 5.443 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C(C)C)cc1 ZINC000021889765 520904023 /nfs/dbraw/zinc/90/40/23/520904023.db2.gz QRUGFMZGXXIZGJ-RUZDIDTESA-N 0 0 431.536 5.328 50 0 IKAARN CCN(CC)c1ccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000020531080 520917231 /nfs/dbraw/zinc/91/72/31/520917231.db2.gz NROSDXZYMOJQPR-RUZDIDTESA-N 0 0 427.548 5.177 50 0 IKAARN CCN(CC)c1ccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(C)c1 ZINC000015773922 520917440 /nfs/dbraw/zinc/91/74/40/520917440.db2.gz FMYSOSVTOMPJAN-RUZDIDTESA-N 0 0 427.548 5.051 50 0 IKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000021725925 520917844 /nfs/dbraw/zinc/91/78/44/520917844.db2.gz VGEOZHPCFGORGA-KRWDZBQOSA-N 0 0 432.549 5.443 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2ccc(-n3nc(C)c4c3CCCC4=O)cc2)c(C)c1 ZINC000020864797 520919920 /nfs/dbraw/zinc/91/99/20/520919920.db2.gz LOMNZVBKUASCPL-UHFFFAOYSA-N 0 0 430.552 5.107 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)c3ccccn32)cc1 ZINC000012342158 520922905 /nfs/dbraw/zinc/92/29/05/520922905.db2.gz OTFLGLXVYNFWNX-UHFFFAOYSA-N 0 0 447.922 5.365 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000012196602 520929519 /nfs/dbraw/zinc/92/95/19/520929519.db2.gz GEVDRPVWKFXUFD-IGKIAQTJSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000012195935 520930800 /nfs/dbraw/zinc/93/08/00/520930800.db2.gz YJZAGXVKNCQZCB-JYFHCDHNSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccccc3F)C2)cc1 ZINC000022341246 520930978 /nfs/dbraw/zinc/93/09/78/520930978.db2.gz MRIWXMJKDKHGKE-JOCHJYFZSA-N 0 0 429.322 6.887 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012196598 520931409 /nfs/dbraw/zinc/93/14/09/520931409.db2.gz VLHRXUDAKOMLIY-ZEQKJWHPSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc(CCNC(=O)NC2c3ccccc3Oc3ccccc32)cc1OCC ZINC000000719922 520951286 /nfs/dbraw/zinc/95/12/86/520951286.db2.gz IFXLBTYCXLXXOW-UHFFFAOYSA-N 0 0 432.520 5.221 50 0 IKAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2c2ccc(Cl)cc2)CC1 ZINC000021810887 520953591 /nfs/dbraw/zinc/95/35/91/520953591.db2.gz KDFZTVRZPYCSPL-NZPMRTKLSA-N 0 0 439.943 5.002 50 0 IKAARN CCCCSCCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916125 520954511 /nfs/dbraw/zinc/95/45/11/520954511.db2.gz XYCUQVLLKCCMRX-UHFFFAOYSA-N 0 0 439.625 5.715 50 0 IKAARN CCCCSCCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000020726710 520954647 /nfs/dbraw/zinc/95/46/47/520954647.db2.gz ICLWVRZXNOVYDZ-XLNRJJMWSA-N 0 0 440.634 5.206 50 0 IKAARN CCCCSCCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728935 520955873 /nfs/dbraw/zinc/95/58/73/520955873.db2.gz SXDJZCPPEANYRA-LTGZKZEYSA-N 0 0 426.607 5.425 50 0 IKAARN CC1CCC(OC(=O)CCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC1 ZINC000012417658 520957159 /nfs/dbraw/zinc/95/71/59/520957159.db2.gz BJXGJFDWFMNKOH-UHFFFAOYSA-N 0 0 430.448 5.036 50 0 IKAARN CCOc1ccc(CN(C)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1OC ZINC000012820874 520960255 /nfs/dbraw/zinc/96/02/55/520960255.db2.gz FFGFMHTYTIRZKX-UHFFFAOYSA-N 0 0 442.606 5.423 50 0 IKAARN CC1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000035891765 520979747 /nfs/dbraw/zinc/97/97/47/520979747.db2.gz WRUBRSUFZXPCMK-OAQYLSRUSA-N 0 0 428.498 5.978 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccn1)Nc1ccc(Br)cc1-2 ZINC000008396874 520981540 /nfs/dbraw/zinc/98/15/40/520981540.db2.gz HKDABOBJFBJBHC-KRWDZBQOSA-N 0 0 444.358 5.091 50 0 IKAARN CCOc1ccc(CNC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000015678333 520985055 /nfs/dbraw/zinc/98/50/55/520985055.db2.gz OQEGFYSUDUKFBA-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN CC1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCC(C)CC4)cc3)cc2)CC1 ZINC000000640649 520985413 /nfs/dbraw/zinc/98/54/13/520985413.db2.gz UPXYCKQKVDCVRA-UHFFFAOYSA-N 0 0 448.611 5.805 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3nsc4ccccc43)c2)cc1 ZINC000035447665 520997232 /nfs/dbraw/zinc/99/72/32/520997232.db2.gz DVSCLDFBFYVBRC-UHFFFAOYSA-N 0 0 445.544 5.186 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000021024966 521005197 /nfs/dbraw/zinc/00/51/97/521005197.db2.gz MMUXSUCWQPQWBJ-UHFFFAOYSA-N 0 0 442.943 5.143 50 0 IKAARN CCOc1ccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000021538352 521007833 /nfs/dbraw/zinc/00/78/33/521007833.db2.gz MVRXOIGZMHMQJO-HSZRJFAPSA-N 0 0 433.483 5.162 50 0 IKAARN CCCC[C@@H](CC)C(=O)N(CCC)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000035767721 521013772 /nfs/dbraw/zinc/01/37/72/521013772.db2.gz RCDLOVSICRXLCP-OAQYLSRUSA-N 0 0 430.564 5.403 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000022655065 521016493 /nfs/dbraw/zinc/01/64/93/521016493.db2.gz FFGIRJDLEGJCJH-QGZVFWFLSA-N 0 0 434.506 5.027 50 0 IKAARN CCOc1ccc(N(C(=O)Cc2c(F)cccc2Cl)c2nc3ccccc3s2)cc1 ZINC000012692575 521020225 /nfs/dbraw/zinc/02/02/25/521020225.db2.gz MOXVCFUWGIDIDO-UHFFFAOYSA-N 0 0 440.927 6.395 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000035928430 521020189 /nfs/dbraw/zinc/02/01/89/521020189.db2.gz VYZRWOYUFOWNJC-CJAUYULYSA-N 0 0 439.625 5.686 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)c1 ZINC000035928276 521021829 /nfs/dbraw/zinc/02/18/29/521021829.db2.gz PNFAOMCQEWGNPS-CMJOXMDJSA-N 0 0 432.536 5.898 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910445 521022766 /nfs/dbraw/zinc/02/27/66/521022766.db2.gz JXWBTCRJUYPZBM-NIYFSFCBSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1nnc(SCc2ccc(Br)cc2F)s1 ZINC000035924499 521023297 /nfs/dbraw/zinc/02/32/97/521023297.db2.gz PXADUUCVJLIXDF-LLVKDONJSA-N 0 0 446.411 5.887 50 0 IKAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000015413366 521033419 /nfs/dbraw/zinc/03/34/19/521033419.db2.gz FDXXGXHMOSZMNY-VWLOTQADSA-N 0 0 446.572 5.237 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000035912092 521036817 /nfs/dbraw/zinc/03/68/17/521036817.db2.gz QNHIJJDLTQMGOS-VWLOTQADSA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000035912132 521037324 /nfs/dbraw/zinc/03/73/24/521037324.db2.gz HNAAOAOGONEVEY-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000035912058 521037694 /nfs/dbraw/zinc/03/76/94/521037694.db2.gz JHZNSJPMLMTEET-VWLOTQADSA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000012603264 521041160 /nfs/dbraw/zinc/04/11/60/521041160.db2.gz BYRCEILJFFJPJL-QNGOZBTKSA-N 0 0 448.906 5.387 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc4c3CCCC4)C2=O)cc1 ZINC000012311945 521041195 /nfs/dbraw/zinc/04/11/95/521041195.db2.gz KZTXRCWXAFUIGW-BWAHOGKJSA-N 0 0 438.527 5.604 50 0 IKAARN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000012632252 521043156 /nfs/dbraw/zinc/04/31/56/521043156.db2.gz IZLQAJQWNALKCB-UHFFFAOYSA-N 0 0 437.996 5.856 50 0 IKAARN CCC[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000016050572 521045658 /nfs/dbraw/zinc/04/56/58/521045658.db2.gz GXTXTNAAMUKMTI-WUVIJCSQSA-N 0 0 434.561 5.245 50 0 IKAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)cc1 ZINC000021096188 521065619 /nfs/dbraw/zinc/06/56/19/521065619.db2.gz FWRCNHFBXMKNRR-UHFFFAOYSA-N 0 0 447.535 6.151 50 0 IKAARN CCOc1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)cc1 ZINC000014609279 521074473 /nfs/dbraw/zinc/07/44/73/521074473.db2.gz GIUYZJIREDPEJE-UHFFFAOYSA-N 0 0 446.576 5.116 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033035201 521086262 /nfs/dbraw/zinc/08/62/62/521086262.db2.gz UMJHGFYWKBHOMM-QFIPXVFZSA-N 0 0 449.595 5.559 50 0 IKAARN CCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000035976069 521088491 /nfs/dbraw/zinc/08/84/91/521088491.db2.gz XIXJTCRJQSNMEV-UHFFFAOYSA-N 0 0 427.932 5.011 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000022135270 521088831 /nfs/dbraw/zinc/08/88/31/521088831.db2.gz JQPDFXBPUNAHMP-AREMUKBSSA-N 0 0 425.569 5.364 50 0 IKAARN CCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000035980687 521091749 /nfs/dbraw/zinc/09/17/49/521091749.db2.gz BTYPSPIILVJQSS-UHFFFAOYSA-N 0 0 429.520 5.720 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000035981263 521109635 /nfs/dbraw/zinc/10/96/35/521109635.db2.gz MVOFXJDUBZFADO-QGZVFWFLSA-N 0 0 445.991 5.188 50 0 IKAARN CCOc1ccc(NC(=O)c2sc3nc(N4CCCC4)c4c(c3c2N)CCCC4)cc1 ZINC000015670984 521121041 /nfs/dbraw/zinc/12/10/41/521121041.db2.gz CAAJHOAXGSQJPJ-UHFFFAOYSA-N 0 0 436.581 5.009 50 0 IKAARN CCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OCCc2scnc2C)C1 ZINC000012218547 521126549 /nfs/dbraw/zinc/12/65/49/521126549.db2.gz WJNGKTNEOLJGEK-UHFFFAOYSA-N 0 0 442.606 5.241 50 0 IKAARN CCOc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012419592 521139383 /nfs/dbraw/zinc/13/93/83/521139383.db2.gz MNUXAHJXADNKBE-UHFFFAOYSA-N 0 0 426.519 5.378 50 0 IKAARN CCCC[C@H](CC)C(=O)N(CCCC)CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000035700993 521157236 /nfs/dbraw/zinc/15/72/36/521157236.db2.gz JRSHUPKLBBKOLI-IBGZPJMESA-N 0 0 444.645 5.687 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCC(n2nc(C(=O)OCC)cc2-c2ccc(F)cc2)CC1 ZINC000022656649 521157249 /nfs/dbraw/zinc/15/72/49/521157249.db2.gz HLVQUFRKTUVZRP-SFHVURJKSA-N 0 0 443.563 5.246 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl ZINC000022673001 521158133 /nfs/dbraw/zinc/15/81/33/521158133.db2.gz ZZLHLURWXCROIV-XDHUDOTRSA-N 0 0 429.988 6.048 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2CCC)c1 ZINC000035927434 521162392 /nfs/dbraw/zinc/16/23/92/521162392.db2.gz SQUWHPRTEACBML-SIBVEZHUSA-N 0 0 438.637 6.573 50 0 IKAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)c1 ZINC000012568694 521164097 /nfs/dbraw/zinc/16/40/97/521164097.db2.gz WRSPOZSOYBGITG-UHFFFAOYSA-N 0 0 432.929 5.278 50 0 IKAARN CCOc1ccc(Oc2ccc(NC(=O)CCCOc3ccccc3OCC)cc2)cc1 ZINC000012529025 521183516 /nfs/dbraw/zinc/18/35/16/521183516.db2.gz WUFHLBBZFJDVAL-UHFFFAOYSA-N 0 0 435.520 6.074 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(OC)cc3)c3ccccc3n2)cc1 ZINC000033106244 521198422 /nfs/dbraw/zinc/19/84/22/521198422.db2.gz SNZMJHIQXQIZSL-UHFFFAOYSA-N 0 0 439.515 5.189 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(F)cc2)[C@H](C)c2ccccc2)c1 ZINC000035943960 521207233 /nfs/dbraw/zinc/20/72/33/521207233.db2.gz NDXZQMIUSBWCLR-LJQANCHMSA-N 0 0 447.554 5.644 50 0 IKAARN CCC(=O)Nc1cccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)c1 ZINC000008432216 521220920 /nfs/dbraw/zinc/22/09/20/521220920.db2.gz LYLTWDHOBPIASR-FLFQWRMESA-N 0 0 425.579 5.727 50 0 IKAARN CCOc1ccc([C@@H](C)NC(=O)c2cccnc2SCC(F)(F)F)cc1OCC ZINC000036758945 521222161 /nfs/dbraw/zinc/22/21/61/521222161.db2.gz PTLVOQKPJDXCLT-CYBMUJFWSA-N 0 0 428.476 5.024 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000021789249 521228630 /nfs/dbraw/zinc/22/86/30/521228630.db2.gz OQDZFHHPIUUQGX-JOCHJYFZSA-N 0 0 428.532 5.446 50 0 IKAARN CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)cc1 ZINC000012853393 521245200 /nfs/dbraw/zinc/24/52/00/521245200.db2.gz DQOLGEQQUJDMQH-FQEVSTJZSA-N 0 0 428.989 5.465 50 0 IKAARN CCOc1ccc([C@@](O)(CCC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447046 521249851 /nfs/dbraw/zinc/24/98/51/521249851.db2.gz CMGZZHHJWZJKQF-FTJBHMTQSA-N 0 0 446.031 5.479 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021889099 521251342 /nfs/dbraw/zinc/25/13/42/521251342.db2.gz PDQAXKRKGOFTMZ-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(OC)cc2)CO1 ZINC000020412300 521259854 /nfs/dbraw/zinc/25/98/54/521259854.db2.gz TVCFMNNDYRTOFX-UHFFFAOYSA-N 0 0 427.928 5.192 50 0 IKAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(OC)c(OC)c3)c(Cl)cc12 ZINC000002996789 521260776 /nfs/dbraw/zinc/26/07/76/521260776.db2.gz XYLFTGRIDTZHBF-UHFFFAOYSA-N 0 0 430.884 5.068 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2ccc(C)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000021789253 521262331 /nfs/dbraw/zinc/26/23/31/521262331.db2.gz OQDZFHHPIUUQGX-QFIPXVFZSA-N 0 0 428.532 5.446 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1OC ZINC000020899483 521262351 /nfs/dbraw/zinc/26/23/51/521262351.db2.gz QNHJUKRXAAZLSN-NRFANRHFSA-N 0 0 448.950 5.791 50 0 IKAARN CCCCc1ccc(C(=O)N2CCN(c3nc(-c4cccc(F)c4)nc(C)c3C)CC2)cc1 ZINC000035890324 521268997 /nfs/dbraw/zinc/26/89/97/521268997.db2.gz OGQKPACIEFLPNJ-UHFFFAOYSA-N 0 0 446.570 5.205 50 0 IKAARN CCCCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1 ZINC000035910140 521269541 /nfs/dbraw/zinc/26/95/41/521269541.db2.gz KQFSZYSFJXXUKE-SANMLTNESA-N 0 0 448.563 6.199 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccccc3F)c2)cc1 ZINC000035910115 521272052 /nfs/dbraw/zinc/27/20/52/521272052.db2.gz XGLMAGXARLHXTP-AREMUKBSSA-N 0 0 448.563 6.199 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(C)c3)c2)cc1 ZINC000035910367 521272447 /nfs/dbraw/zinc/27/24/47/521272447.db2.gz RWUGFEAXXUDWBK-HHHXNRCGSA-N 0 0 444.600 6.369 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021889096 521275097 /nfs/dbraw/zinc/27/50/97/521275097.db2.gz PDQAXKRKGOFTMZ-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1OC ZINC000020892451 521275393 /nfs/dbraw/zinc/27/53/93/521275393.db2.gz KMSJDPYCPDFSGS-OAQYLSRUSA-N 0 0 443.956 5.016 50 0 IKAARN CCOc1ccc([C@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000020868174 521276359 /nfs/dbraw/zinc/27/63/59/521276359.db2.gz LOXAGULBWVHIBT-VWLOTQADSA-N 0 0 443.503 5.136 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)cc1 ZINC000035398388 521277489 /nfs/dbraw/zinc/27/74/89/521277489.db2.gz ZBLMVNLWBLGIHF-UHFFFAOYSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 ZINC000035398084 521281428 /nfs/dbraw/zinc/28/14/28/521281428.db2.gz TVKVBSJGQQEHAR-HSZRJFAPSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1 ZINC000032995619 521284103 /nfs/dbraw/zinc/28/41/03/521284103.db2.gz UPUIQOSJQYLWFW-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 ZINC000035398085 521284149 /nfs/dbraw/zinc/28/41/49/521284149.db2.gz TVKVBSJGQQEHAR-QHCPKHFHSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)c2cn(CCC)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009661522 521284199 /nfs/dbraw/zinc/28/41/99/521284199.db2.gz SCRICWORVJNOQH-UHFFFAOYSA-N 0 0 428.536 5.144 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(NC(C)=O)c1)C(C)(C)N2 ZINC000012436611 521285171 /nfs/dbraw/zinc/28/51/71/521285171.db2.gz OXXKDTDADBTTCS-FLFQWRMESA-N 0 0 425.579 5.727 50 0 IKAARN CCOc1ccc2c(c1)S/C(=C/c1ccc(OC(F)F)cc1OC(F)F)C(=O)N2 ZINC000012623527 521292135 /nfs/dbraw/zinc/29/21/35/521292135.db2.gz IXYJOPJCZQDUDJ-FRKPEAEDSA-N 0 0 429.391 5.373 50 0 IKAARN CCCCc1nc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)c[nH]1 ZINC000012433773 521294738 /nfs/dbraw/zinc/29/47/38/521294738.db2.gz IJSIPVRGSIQZJI-UHFFFAOYSA-N 0 0 446.595 5.279 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Cl)c3)sc2c1 ZINC000021660970 521298595 /nfs/dbraw/zinc/29/85/95/521298595.db2.gz PCCXXEDFDBOURK-MRXNPFEDSA-N 0 0 438.940 5.317 50 0 IKAARN CCOc1ccc2nc(NC(=O)C3=Cc4sc5c(c4CS3)CCCC5)sc2c1 ZINC000020557392 521303528 /nfs/dbraw/zinc/30/35/28/521303528.db2.gz ZRORGKIUAOAQPJ-UHFFFAOYSA-N 0 0 428.604 5.862 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)sc2c1 ZINC000020286844 521305029 /nfs/dbraw/zinc/30/50/29/521305029.db2.gz SRKHJVYCVGGBAD-UHFFFAOYSA-N 0 0 437.952 6.028 50 0 IKAARN CCOc1ccc2[nH]c(SCc3csc(-c4ccc(OCC)c(OC)c4)n3)nc2c1 ZINC000012546532 521306786 /nfs/dbraw/zinc/30/67/86/521306786.db2.gz CPVZJBMDNPXTCL-UHFFFAOYSA-N 0 0 441.578 5.785 50 0 IKAARN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000012529882 521306849 /nfs/dbraw/zinc/30/68/49/521306849.db2.gz FBSOIDABRWFNMY-INIZCTEOSA-N 0 0 433.533 5.873 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)nc2c1 ZINC000012533694 521308713 /nfs/dbraw/zinc/30/87/13/521308713.db2.gz DMSSQGGROAVBSS-UHFFFAOYSA-N 0 0 444.560 5.820 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)NC4CCCCC4)c3c2c1 ZINC000021541073 521310282 /nfs/dbraw/zinc/31/02/82/521310282.db2.gz MLDAUDIFSVOWDX-UHFFFAOYSA-N 0 0 428.536 5.099 50 0 IKAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CSc1ccc(NC(C)=O)cc1 ZINC000015445309 521330275 /nfs/dbraw/zinc/33/02/75/521330275.db2.gz IEOZKQBDBLYHIO-UHFFFAOYSA-N 0 0 448.588 5.365 50 0 IKAARN CCCc1c(C(=O)NC2CCCCC2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026856 521330425 /nfs/dbraw/zinc/33/04/25/521330425.db2.gz RNEPRMLFOZXKKZ-UHFFFAOYSA-N 0 0 429.524 5.091 50 0 IKAARN CCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccnc1Cl ZINC000012389523 521360247 /nfs/dbraw/zinc/36/02/47/521360247.db2.gz INZFRESFZTXFSY-UHFFFAOYSA-N 0 0 445.972 5.039 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325675 521365557 /nfs/dbraw/zinc/36/55/57/521365557.db2.gz QKXVDWGCJSSAQB-IBGZPJMESA-N 0 0 447.985 7.397 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274412 521370785 /nfs/dbraw/zinc/37/07/85/521370785.db2.gz VCFNZXKWVUJZHQ-UHFFFAOYSA-N 0 0 449.553 5.727 50 0 IKAARN CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2sc(C)c(C)c2c1=O ZINC000012924971 521372552 /nfs/dbraw/zinc/37/25/52/521372552.db2.gz SRBCNTWMYBEWGC-OAHLLOKOSA-N 0 0 445.610 5.003 50 0 IKAARN CCCCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(OC)cc1 ZINC000012912756 521372815 /nfs/dbraw/zinc/37/28/15/521372815.db2.gz VOBVVYMIZOUQCL-KRWDZBQOSA-N 0 0 449.580 5.966 50 0 IKAARN CCCCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(OC)cc1 ZINC000012912759 521373087 /nfs/dbraw/zinc/37/30/87/521373087.db2.gz VOBVVYMIZOUQCL-QGZVFWFLSA-N 0 0 449.580 5.966 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(OCC)cc2)c1C ZINC000021152506 521383303 /nfs/dbraw/zinc/38/33/03/521383303.db2.gz NXAKTAKQKLPNQD-UHFFFAOYSA-N 0 0 448.563 5.358 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000014680356 521391548 /nfs/dbraw/zinc/39/15/48/521391548.db2.gz SGZHUJMOSXAAFK-UHFFFAOYSA-N 0 0 444.578 5.067 50 0 IKAARN CCOC(=O)c1c(NC(=O)C[C@@H](C)CC(C)(C)C)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000022675346 521408852 /nfs/dbraw/zinc/40/88/52/521408852.db2.gz VNRNJXCNDAVOER-IEBWSBKVSA-N 0 0 441.637 6.598 50 0 IKAARN CCOC(=O)c1c(NC(=O)COCc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000022660501 521409371 /nfs/dbraw/zinc/40/93/71/521409371.db2.gz QPSYXWKFTUKKEV-QGZVFWFLSA-N 0 0 429.582 5.231 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc([C@@H](C)CC)cc2)sc2c1CCCCCC2 ZINC000005949846 521413018 /nfs/dbraw/zinc/41/30/18/521413018.db2.gz LZNFLLAQQJGKMY-INIZCTEOSA-N 0 0 444.666 6.906 50 0 IKAARN CCCN(C(=O)C1CC1)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000035689262 521413435 /nfs/dbraw/zinc/41/34/35/521413435.db2.gz RKJMJLZTXFSJAJ-NRFANRHFSA-N 0 0 441.934 5.278 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1cccc3cccnc31)CCCC2 ZINC000016683089 521415533 /nfs/dbraw/zinc/41/55/33/521415533.db2.gz XZXSTICTMSMUKV-UHFFFAOYSA-N 0 0 426.563 5.083 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000022658608 521422558 /nfs/dbraw/zinc/42/25/58/521422558.db2.gz HZESBXVBGSLYNO-UHFFFAOYSA-N 0 0 437.584 5.033 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)NC(C(C)C)C(C)C)cc2)n1 ZINC000023433344 521426135 /nfs/dbraw/zinc/42/61/35/521426135.db2.gz VEEMCKFPVBVYKO-UHFFFAOYSA-N 0 0 447.579 5.435 50 0 IKAARN CCOc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)c1 ZINC000021918736 521426224 /nfs/dbraw/zinc/42/62/24/521426224.db2.gz IHXZLEFWRASZJI-DEOSSOPVSA-N 0 0 449.620 5.839 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCCCc1ccccc1 ZINC000017102724 521426358 /nfs/dbraw/zinc/42/63/58/521426358.db2.gz VDCOMMPMLCLWMR-UHFFFAOYSA-N 0 0 438.618 5.901 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)COc2ccccc2)c1 ZINC000021715757 521427404 /nfs/dbraw/zinc/42/74/04/521427404.db2.gz MMKSMVYRCMTYJB-MHZLTWQESA-N 0 0 426.516 5.120 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000034796974 521432316 /nfs/dbraw/zinc/43/23/16/521432316.db2.gz LBOBLYFFDQLUIY-AREMUKBSSA-N 0 0 446.572 5.679 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000035927453 521432903 /nfs/dbraw/zinc/43/29/03/521432903.db2.gz APURJAXOBGKEQA-VWLOTQADSA-N 0 0 434.536 5.809 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000034796989 521432998 /nfs/dbraw/zinc/43/29/98/521432998.db2.gz NTIKVYIFGNKUKO-SANMLTNESA-N 0 0 430.573 5.978 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000035927415 521433164 /nfs/dbraw/zinc/43/31/64/521433164.db2.gz VGMHMRNJSBUKSA-SANMLTNESA-N 0 0 436.621 6.327 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000012196271 521433092 /nfs/dbraw/zinc/43/30/92/521433092.db2.gz FJGWBBGQOFPIDQ-KBMIEXCESA-N 0 0 434.492 5.246 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000012196255 521434064 /nfs/dbraw/zinc/43/40/64/521434064.db2.gz SQGDTMBVLLCXMU-UQBPGWFLSA-N 0 0 434.492 5.246 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2C)c1 ZINC000035927419 521433915 /nfs/dbraw/zinc/43/39/15/521433915.db2.gz UXDPVKBQCSLFSB-SANMLTNESA-N 0 0 430.573 5.978 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000012195665 521434305 /nfs/dbraw/zinc/43/43/05/521434305.db2.gz COEVEHAWLCVMMA-WIOPSUGQSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000020738410 521434903 /nfs/dbraw/zinc/43/49/03/521434903.db2.gz XTSMIDOFTBCBDS-WIOPSUGQSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000012195678 521434968 /nfs/dbraw/zinc/43/49/68/521434968.db2.gz QHLFBLZCLTWWCE-RCZVLFRGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000012196260 521435415 /nfs/dbraw/zinc/43/54/15/521435415.db2.gz SQGDTMBVLLCXMU-KBMIEXCESA-N 0 0 434.492 5.246 50 0 IKAARN CCOc1cccc2sc(-n3nc(C)cc3NC(=O)c3ccc4ccccc4c3)nc21 ZINC000021686177 521436658 /nfs/dbraw/zinc/43/66/58/521436658.db2.gz WVVIZFNFRZVJCK-UHFFFAOYSA-N 0 0 428.517 5.595 50 0 IKAARN CCOc1cccc2sc(-n3nc(C)cc3NC(=O)c3ccc4c(c3)CCCC4)nc21 ZINC000021686168 521437626 /nfs/dbraw/zinc/43/76/26/521437626.db2.gz XSTSUMRDQVFEIY-UHFFFAOYSA-N 0 0 432.549 5.320 50 0 IKAARN CCCN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1ccccc1C ZINC000020597930 521441207 /nfs/dbraw/zinc/44/12/07/521441207.db2.gz JFEPTMOCHJLOIF-UHFFFAOYSA-N 0 0 441.575 5.889 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3ccc(C)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602937 521445905 /nfs/dbraw/zinc/44/59/05/521445905.db2.gz FOXDWBSCHSBKFG-UHFFFAOYSA-N 0 0 439.487 5.755 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615425 521445953 /nfs/dbraw/zinc/44/59/53/521445953.db2.gz GOSMIBMLUBQEBL-UHFFFAOYSA-N 0 0 449.479 5.589 50 0 IKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(C(=O)OC)cc1 ZINC000023438688 521447277 /nfs/dbraw/zinc/44/72/77/521447277.db2.gz CGBAAYHKIHWDIG-OAHLLOKOSA-N 0 0 437.517 5.116 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1ccccc1OCC ZINC000022671068 521447534 /nfs/dbraw/zinc/44/75/34/521447534.db2.gz SIOQFHJPWMAJJK-KRWDZBQOSA-N 0 0 429.582 6.426 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(C)C ZINC000035944556 521484110 /nfs/dbraw/zinc/48/41/10/521484110.db2.gz CVZGXMUWCCFIGS-UHFFFAOYSA-N 0 0 444.019 5.832 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C(C)C)ccc1N(C)C ZINC000035946181 521484230 /nfs/dbraw/zinc/48/42/30/521484230.db2.gz GWFRIZXSKQMUQA-UHFFFAOYSA-N 0 0 441.591 5.451 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C ZINC000035945461 521484860 /nfs/dbraw/zinc/48/48/60/521484860.db2.gz GYBDLPCZQJYQPB-UHFFFAOYSA-N 0 0 441.616 5.685 50 0 IKAARN CCC(CC)C(=O)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@H]1CCCO1 ZINC000012455407 521485027 /nfs/dbraw/zinc/48/50/27/521485027.db2.gz HXAKOTGZBZPVDN-XMMPIXPASA-N 0 0 427.560 5.391 50 0 IKAARN CCOC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000001037249 521486160 /nfs/dbraw/zinc/48/61/60/521486160.db2.gz KSSMMLSZCFTSDH-UHFFFAOYSA-N 0 0 433.508 5.069 50 0 IKAARN CCC(CC)C(=O)NCc1nc(-c2cccc(NC(=O)c3ccc(C)s3)c2)oc1C ZINC000012185508 521498866 /nfs/dbraw/zinc/49/88/66/521498866.db2.gz GUJMGIKXUGLHGJ-UHFFFAOYSA-N 0 0 425.554 5.325 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000021048012 521504226 /nfs/dbraw/zinc/50/42/26/521504226.db2.gz OPIUWDFKDCRWJD-QHCPKHFHSA-N 0 0 448.588 5.975 50 0 IKAARN CCCN(C)c1cc(-c2ccccc2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000036038699 521513191 /nfs/dbraw/zinc/51/31/91/521513191.db2.gz BCHKSZURTPPIIC-UHFFFAOYSA-N 0 0 446.620 5.518 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000035924938 521513812 /nfs/dbraw/zinc/51/38/12/521513812.db2.gz LHRNTEOUFAPZOK-XMMPIXPASA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000035925017 521514116 /nfs/dbraw/zinc/51/41/16/521514116.db2.gz RJPOSJBSGNTVPS-SANMLTNESA-N 0 0 446.572 5.435 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000035924903 521514535 /nfs/dbraw/zinc/51/45/35/521514535.db2.gz QGFDSFRKKSXWCV-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2C)c1 ZINC000035925002 521514666 /nfs/dbraw/zinc/51/46/66/521514666.db2.gz BIEXGLUDLAZLSG-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000035924960 521514776 /nfs/dbraw/zinc/51/47/76/521514776.db2.gz BAAATVWOWNOYAJ-SANMLTNESA-N 0 0 446.572 5.679 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2C)c1 ZINC000035925001 521514913 /nfs/dbraw/zinc/51/49/13/521514913.db2.gz BIEXGLUDLAZLSG-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCCN(C)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCc3ccncc3)cc2)n1 ZINC000036049786 521515864 /nfs/dbraw/zinc/51/58/64/521515864.db2.gz BSOFYIYBSODRLA-UHFFFAOYSA-N 0 0 449.624 5.064 50 0 IKAARN CCCN(C)c1nc(SCc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nc(C)c1C ZINC000036062939 521519845 /nfs/dbraw/zinc/51/98/45/521519845.db2.gz NTBBHYJCHUWWGZ-HXUWFJFHSA-N 0 0 448.636 5.723 50 0 IKAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)ccc1F ZINC000035844817 521531085 /nfs/dbraw/zinc/53/10/85/521531085.db2.gz VFPVZFUWBAGCRZ-UHFFFAOYSA-N 0 0 440.534 5.350 50 0 IKAARN CCOc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880706 521533222 /nfs/dbraw/zinc/53/32/22/521533222.db2.gz NAASJRRSCXWZKL-UHFFFAOYSA-N 0 0 430.917 5.020 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(C)ccc3ccccc31)n2CCOC ZINC000023456926 521533731 /nfs/dbraw/zinc/53/37/31/521533731.db2.gz CCZBZTCKQZCOLY-UHFFFAOYSA-N 0 0 434.561 5.613 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)c1cccn1-c1ccc(C)cc1N2CC ZINC000021944562 521538147 /nfs/dbraw/zinc/53/81/47/521538147.db2.gz GCADJFGTFQAOGQ-UHFFFAOYSA-N 0 0 444.579 5.548 50 0 biogenic IKAARN CCCN(CC(=O)N1c2ccccc2CCc2ccccc21)Cc1nnc(-c2ccco2)o1 ZINC000012762228 521540065 /nfs/dbraw/zinc/54/00/65/521540065.db2.gz YOCQARNMQAGAHK-UHFFFAOYSA-N 0 0 442.519 5.005 50 0 IKAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCC1 ZINC000035842680 521540756 /nfs/dbraw/zinc/54/07/56/521540756.db2.gz GALXABVFEIHLGP-SANMLTNESA-N 0 0 449.639 5.146 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](CC)Sc1nnc(C)n2c3ccsc3cc12 ZINC000020510691 521544341 /nfs/dbraw/zinc/54/43/41/521544341.db2.gz LVGVOVKIZOHNDE-GOSISDBHSA-N 0 0 426.567 5.161 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 ZINC000015187292 521544958 /nfs/dbraw/zinc/54/49/58/521544958.db2.gz XCXUTBFOVSBZMG-QFIPXVFZSA-N 0 0 430.533 5.138 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058006 521549236 /nfs/dbraw/zinc/54/92/36/521549236.db2.gz FEVBTWUMVVNARW-UHFFFAOYSA-N 0 0 429.451 5.726 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260969 521549681 /nfs/dbraw/zinc/54/96/81/521549681.db2.gz RDIJTYMBYRNWCF-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(-c2cc(Oc3ccccc3OC)ncn2)cc1 ZINC000035526554 521550752 /nfs/dbraw/zinc/55/07/52/521550752.db2.gz LBTXRXIQEIPGFB-UHFFFAOYSA-N 0 0 441.487 5.596 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022639341 521554047 /nfs/dbraw/zinc/55/40/47/521554047.db2.gz LYRZPBFOEOYEOK-UHFFFAOYSA-N 0 0 434.458 5.369 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000033128660 521555000 /nfs/dbraw/zinc/55/50/00/521555000.db2.gz UFBCLHDUYGONKO-UHFFFAOYSA-N 0 0 443.503 5.019 50 0 IKAARN CCOc1ccccc1Nc1nc(-c2nnc(-c3ccc(OC)cc3)o2)nc2ccccc21 ZINC000035446334 521555464 /nfs/dbraw/zinc/55/54/64/521555464.db2.gz YHRLOYVGCBDUAW-UHFFFAOYSA-N 0 0 439.475 5.498 50 0 IKAARN CCOC(=O)c1cnn(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C(F)(F)F ZINC000012860445 521579270 /nfs/dbraw/zinc/57/92/70/521579270.db2.gz NQGSJOMVWAYGBG-UHFFFAOYSA-N 0 0 443.450 5.858 50 0 IKAARN CCOC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000012370000 521579488 /nfs/dbraw/zinc/57/94/88/521579488.db2.gz VWKARJAISDZRGP-UHFFFAOYSA-N 0 0 435.349 5.210 50 0 IKAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1c(C)n[nH]c1C ZINC000012592273 521580595 /nfs/dbraw/zinc/58/05/95/521580595.db2.gz QFOYIFDBSUEVDT-HHHXNRCGSA-N 0 0 442.563 5.013 50 0 IKAARN CCOc1ccccc1[C@H]1SCCNc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000020442977 521590735 /nfs/dbraw/zinc/59/07/35/521590735.db2.gz WXWNWARECHONPP-RUZDIDTESA-N 0 0 427.573 6.186 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 ZINC000012895468 521592786 /nfs/dbraw/zinc/59/27/86/521592786.db2.gz MRQCVINXVFRPQE-CYBMUJFWSA-N 0 0 426.929 5.228 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)n1 ZINC000012528098 521592840 /nfs/dbraw/zinc/59/28/40/521592840.db2.gz PQURNELFEGWZMD-MRXNPFEDSA-N 0 0 435.553 5.440 50 0 IKAARN CCOC(=O)c1nn(-c2ccc(C(=O)N3CCCC[C@H]3CC)cc2)c2c1Cc1ccccc1-2 ZINC000023444644 521601582 /nfs/dbraw/zinc/60/15/82/521601582.db2.gz OLPBZNXLUOUCAU-HXUWFJFHSA-N 0 0 443.547 5.025 50 0 IKAARN CCCn1c2ccccc2nc1NC(=O)[C@H](C)SCc1ccc(Br)cc1 ZINC000012700366 521639719 /nfs/dbraw/zinc/63/97/19/521639719.db2.gz LTSPDYMKFHQXLY-AWEZNQCLSA-N 0 0 432.387 5.469 50 0 IKAARN CCCn1c2ccccc2nc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C ZINC000012546469 521640319 /nfs/dbraw/zinc/64/03/19/521640319.db2.gz VCCSKIGSHPGHCQ-UHFFFAOYSA-N 0 0 449.558 6.168 50 0 IKAARN CCS(=O)(=O)N1CC=C(c2c(C)n(Cc3c(F)cccc3Cl)c3ccccc32)CC1 ZINC000035421450 521660954 /nfs/dbraw/zinc/66/09/54/521660954.db2.gz WNAOOMYISKTMAG-UHFFFAOYSA-N 0 0 446.975 5.229 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)c1ccccc1 ZINC000035977868 521678346 /nfs/dbraw/zinc/67/83/46/521678346.db2.gz URLCIZJVGMEMQA-UHFFFAOYSA-N 0 0 425.532 5.932 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)C1CCCC1 ZINC000035977226 521678352 /nfs/dbraw/zinc/67/83/52/521678352.db2.gz OESAXBAARRLHGM-UHFFFAOYSA-N 0 0 435.543 5.947 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)C1CCCC1 ZINC000035977429 521678435 /nfs/dbraw/zinc/67/84/35/521678435.db2.gz IXHMHRYWMWFMCT-UHFFFAOYSA-N 0 0 435.543 5.947 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)NC(C)C ZINC000035978522 521679245 /nfs/dbraw/zinc/67/92/45/521679245.db2.gz KUTWUIQVHKTKKT-UHFFFAOYSA-N 0 0 436.556 5.312 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)C1CCCC1 ZINC000035977049 521679411 /nfs/dbraw/zinc/67/94/11/521679411.db2.gz ZMAGCSNBUKNDGB-UHFFFAOYSA-N 0 0 431.580 6.210 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1ccccc1 ZINC000035970770 521679427 /nfs/dbraw/zinc/67/94/27/521679427.db2.gz RAMKBGKGOYFXRT-UHFFFAOYSA-N 0 0 425.532 6.025 50 0 IKAARN CCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1F ZINC000035975289 521679445 /nfs/dbraw/zinc/67/94/45/521679445.db2.gz MITQVLLYUUZHGL-UHFFFAOYSA-N 0 0 448.464 5.149 50 0 IKAARN CCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccccc1Cl ZINC000036012438 521679952 /nfs/dbraw/zinc/67/99/52/521679952.db2.gz DINSFPXFYDDHDO-UHFFFAOYSA-N 0 0 444.915 5.073 50 0 IKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1C(F)(F)F ZINC000041078101 521680122 /nfs/dbraw/zinc/68/01/22/521680122.db2.gz YAQNMKSBFKLQJD-UHFFFAOYSA-N 0 0 431.458 5.608 50 0 IKAARN CCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccc(Cl)cc1 ZINC000036012443 521680171 /nfs/dbraw/zinc/68/01/71/521680171.db2.gz CQYPRVKYSKSMMH-UHFFFAOYSA-N 0 0 444.915 5.073 50 0 IKAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)c1ccco1 ZINC000035972582 521680225 /nfs/dbraw/zinc/68/02/25/521680225.db2.gz DPXADNATAXNGMH-UHFFFAOYSA-N 0 0 447.510 6.012 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CCC1 ZINC000035976620 521680312 /nfs/dbraw/zinc/68/03/12/521680312.db2.gz TXMYEJJUSYGKKI-UHFFFAOYSA-N 0 0 433.552 5.520 50 0 IKAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)C1CCC1 ZINC000035972588 521680645 /nfs/dbraw/zinc/68/06/45/521680645.db2.gz MXYSHAKXXKPPKW-UHFFFAOYSA-N 0 0 435.543 5.905 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000035944371 521681259 /nfs/dbraw/zinc/68/12/59/521681259.db2.gz PIPCMLYZBOCRRY-VWLOTQADSA-N 0 0 449.639 5.814 50 0 IKAARN CCCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035943850 521681360 /nfs/dbraw/zinc/68/13/60/521681360.db2.gz KYRJNMSFVLPUGH-UHFFFAOYSA-N 0 0 444.019 5.833 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000035944380 521681396 /nfs/dbraw/zinc/68/13/96/521681396.db2.gz NNDRJGLANMRDKC-UHFFFAOYSA-N 0 0 445.007 5.378 50 0 IKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036032003 521692657 /nfs/dbraw/zinc/69/26/57/521692657.db2.gz DBZUXTKGSSGVHB-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N=C1c1ccccc1 ZINC000020578433 521695144 /nfs/dbraw/zinc/69/51/44/521695144.db2.gz IUMAHVDVRIAKFU-UHFFFAOYSA-N 0 0 426.973 5.319 50 0 IKAARN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(F)c4)o3)cc2Cl)CC1 ZINC000041091646 521698982 /nfs/dbraw/zinc/69/89/82/521698982.db2.gz XVHUQKOVHOOEAJ-UHFFFAOYSA-N 0 0 427.907 5.133 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccccc2OC)c1 ZINC000020352950 521703349 /nfs/dbraw/zinc/70/33/49/521703349.db2.gz MMYBYKDFHMNDJT-VWLOTQADSA-N 0 0 432.520 5.259 50 0 IKAARN CCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000020321612 521705545 /nfs/dbraw/zinc/70/55/45/521705545.db2.gz UMJXQQMELZDIEN-UHFFFAOYSA-N 0 0 442.968 6.073 50 0 IKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C(C)C)cc1 ZINC000021889588 521711778 /nfs/dbraw/zinc/71/17/78/521711778.db2.gz RTRITFUBDGXMET-AREMUKBSSA-N 0 0 431.580 5.642 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(SC)c1)CC2 ZINC000021101176 521730391 /nfs/dbraw/zinc/73/03/91/521730391.db2.gz BEOJRTUWDKKFEE-UHFFFAOYSA-N 0 0 446.620 5.871 50 0 biogenic IKAARN CCN1c2ccc(-c3noc(COc4cccc(C)c4)n3)cc2Sc2ccccc2C1=O ZINC000021717841 521730502 /nfs/dbraw/zinc/73/05/02/521730502.db2.gz IKDOFZYOFHPXBE-UHFFFAOYSA-N 0 0 443.528 5.755 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NCc1ccc(C)cc1)CC2 ZINC000021101139 521730504 /nfs/dbraw/zinc/73/05/04/521730504.db2.gz BLCBFCFKXQOVDM-UHFFFAOYSA-N 0 0 428.580 5.135 50 0 biogenic IKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000035980333 521739481 /nfs/dbraw/zinc/73/94/81/521739481.db2.gz HNMCJHXESNQNGJ-UHFFFAOYSA-N 0 0 436.556 5.076 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000035971031 521739493 /nfs/dbraw/zinc/73/94/93/521739493.db2.gz JBNKKYWZRPVCPF-UHFFFAOYSA-N 0 0 438.959 5.568 50 0 IKAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2oc3c(ccc4ccccc34)c2C)c1C ZINC000012857776 521750931 /nfs/dbraw/zinc/75/09/31/521750931.db2.gz QPAUSMYITOBCBN-OAHLLOKOSA-N 0 0 433.460 5.054 50 0 IKAARN COC(=O)c1c(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)sc2c1CCCCC2 ZINC000013146019 521766139 /nfs/dbraw/zinc/76/61/39/521766139.db2.gz JOYHLYLKKZGBAR-UHFFFAOYSA-N 0 0 449.613 5.138 50 0 IKAARN COC(=O)c1c(Nc2ccc(N3CCC(C)CC3)cc2)onc1-c1ccc(Cl)cc1 ZINC000021103687 521774091 /nfs/dbraw/zinc/77/40/91/521774091.db2.gz RCZHYRXVAWEBCA-UHFFFAOYSA-N 0 0 425.916 5.762 50 0 IKAARN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCC2 ZINC000012064213 521780712 /nfs/dbraw/zinc/78/07/12/521780712.db2.gz HQEQKNYZYOVJNI-UHFFFAOYSA-N 0 0 441.556 5.454 50 0 IKAARN COC(=O)c1c(SCc2ccccc2C)nc2ccccc2c1OCc1ccccc1C ZINC000020986888 521784310 /nfs/dbraw/zinc/78/43/10/521784310.db2.gz KXMVOJKHWFLSTK-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN COC(=O)c1c(SCc2ccccc2)nc2ccccc2c1OCc1ccc(C)cc1C ZINC000020986874 521784380 /nfs/dbraw/zinc/78/43/80/521784380.db2.gz WRLRGJWCJTYNNF-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN CCc1cccc2c(C(=O)[C@H](Sc3nncn3Cc3ccco3)c3ccccc3)c[nH]c21 ZINC000022193701 521787691 /nfs/dbraw/zinc/78/76/91/521787691.db2.gz PRCAENZLSVITBF-XMMPIXPASA-N 0 0 442.544 5.679 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)C(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908393 521792995 /nfs/dbraw/zinc/79/29/95/521792995.db2.gz MYXQDLLKHFEZQT-JXFKEZNVSA-N 0 0 430.514 6.432 50 0 IKAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020614409 521794099 /nfs/dbraw/zinc/79/40/99/521794099.db2.gz ZEOSCXRGXPNKGR-UHFFFAOYSA-N 0 0 438.314 6.058 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888631 521794526 /nfs/dbraw/zinc/79/45/26/521794526.db2.gz DQFRIAXGTCKWFD-XMMPIXPASA-N 0 0 430.979 6.265 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCC(C)C)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889157 521795027 /nfs/dbraw/zinc/79/50/27/521795027.db2.gz NDXHAHWHYNGTLW-OAQYLSRUSA-N 0 0 430.514 6.433 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N3CCCCC3)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889018 521795358 /nfs/dbraw/zinc/79/53/58/521795358.db2.gz XAGCXAZJVBKRIK-OAQYLSRUSA-N 0 0 428.498 6.284 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3ccccc3OC)c[nH]c21 ZINC000035579490 521795651 /nfs/dbraw/zinc/79/56/51/521795651.db2.gz OLDXMYZMNKALRZ-HSZRJFAPSA-N 0 0 427.548 5.015 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)c3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888637 521795680 /nfs/dbraw/zinc/79/56/80/521795680.db2.gz HAHHFULDITVPQP-KOSHJBKYSA-N 0 0 430.979 6.783 50 0 IKAARN CCSc1nnc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)s1 ZINC000021548643 521795917 /nfs/dbraw/zinc/79/59/17/521795917.db2.gz FTLSAIKBSIPKAN-UHFFFAOYSA-N 0 0 441.603 6.082 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NC3CCCCC3)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908372 521795901 /nfs/dbraw/zinc/79/59/01/521795901.db2.gz AXIAFKGDJJWFIE-OAQYLSRUSA-N 0 0 442.525 6.720 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C(F)(F)F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997259 521799799 /nfs/dbraw/zinc/79/97/99/521799799.db2.gz RZXIKFXEFSSZDG-IBGZPJMESA-N 0 0 446.454 5.114 50 0 IKAARN COC(=O)c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000012137496 521800704 /nfs/dbraw/zinc/80/07/04/521800704.db2.gz WZIYRXZYVVARMM-UHFFFAOYSA-N 0 0 425.687 5.323 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)[C@@H](C)CC)c1ccccc1 ZINC000035945477 521807515 /nfs/dbraw/zinc/80/75/15/521807515.db2.gz JTPSYLTUFZORQK-NBGIEHNGSA-N 0 0 449.639 5.812 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000035944255 521808264 /nfs/dbraw/zinc/80/82/64/521808264.db2.gz NSJBHFUMCGIAKP-RUZDIDTESA-N 0 0 449.639 5.670 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000035946271 521809353 /nfs/dbraw/zinc/80/93/53/521809353.db2.gz DWRIARSQMJVORX-RUZDIDTESA-N 0 0 447.623 5.424 50 0 IKAARN CC[C@@H](C(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2C(C)C)CC1)c1ccccc1 ZINC000035769138 521820600 /nfs/dbraw/zinc/82/06/00/521820600.db2.gz MAYXWQOPWNOTOY-XMMPIXPASA-N 0 0 442.607 5.418 50 0 IKAARN CNC(=O)c1ccc(NC(=O)/C(=C/c2ccc(Br)cc2)c2cccs2)cc1 ZINC000012854184 521831830 /nfs/dbraw/zinc/83/18/30/521831830.db2.gz FLAARCJGGJJCAV-QGOAFFKASA-N 0 0 441.350 5.050 50 0 IKAARN CCc1ccccc1N(C)S(=O)(=O)c1c(C)sc(C)c1-c1cc(C(F)(F)F)on1 ZINC000033299397 521847749 /nfs/dbraw/zinc/84/77/49/521847749.db2.gz HOUGPJCBNOFVPO-UHFFFAOYSA-N 0 0 444.500 5.426 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000035925066 521853070 /nfs/dbraw/zinc/85/30/70/521853070.db2.gz FTOUSHYLWSZBSB-XMMPIXPASA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000035925070 521853621 /nfs/dbraw/zinc/85/36/21/521853621.db2.gz DPCDMIZSDFNJSS-XMMPIXPASA-N 0 0 436.964 5.933 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1)c1ccccc1 ZINC000017269220 521868274 /nfs/dbraw/zinc/86/82/74/521868274.db2.gz BVAYRKCFXQRORR-HSZRJFAPSA-N 0 0 429.568 5.651 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C)cc1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532417 521868316 /nfs/dbraw/zinc/86/83/16/521868316.db2.gz MSTAPBKVPPICAI-NRFANRHFSA-N 0 0 434.540 5.761 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000035910132 521870780 /nfs/dbraw/zinc/87/07/80/521870780.db2.gz HARHFTNQKCWDOV-RCZVLFRGSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C(=O)[C@@H](C)O2)c1ccccc1 ZINC000035883558 521871058 /nfs/dbraw/zinc/87/10/58/521871058.db2.gz ILEZDFDPBYSRRA-CJFMBICVSA-N 0 0 442.559 5.171 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1)c1ccccc1 ZINC000035928571 521871213 /nfs/dbraw/zinc/87/12/13/521871213.db2.gz PRETUWQYRIUSNZ-ATIYNZHBSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)cc1)c1ccccc1 ZINC000035912281 521871430 /nfs/dbraw/zinc/87/14/30/521871430.db2.gz XPRWARYBBWQWDB-BVAGGSTKSA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532391 521875160 /nfs/dbraw/zinc/87/51/60/521875160.db2.gz UYSAWECAVSUILW-FQEVSTJZSA-N 0 0 438.503 5.592 50 0 IKAARN CCc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000021042948 521881787 /nfs/dbraw/zinc/88/17/87/521881787.db2.gz ZAHAEWGPPKJRTB-UHFFFAOYSA-N 0 0 435.886 5.057 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908555 521889845 /nfs/dbraw/zinc/88/98/45/521889845.db2.gz GATQUHOLNJGKJD-QHCPKHFHSA-N 0 0 429.495 6.565 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021048556 521891837 /nfs/dbraw/zinc/89/18/37/521891837.db2.gz WORLQFOPEGLYHU-DEOSSOPVSA-N 0 0 434.580 6.508 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021893928 521892070 /nfs/dbraw/zinc/89/20/70/521892070.db2.gz RELFLEOETBDMRK-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccccc1NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033125773 521892442 /nfs/dbraw/zinc/89/24/42/521892442.db2.gz CQYBILHKPTUSKY-UHFFFAOYSA-N 0 0 428.964 5.358 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1 ZINC000021892118 521893067 /nfs/dbraw/zinc/89/30/67/521893067.db2.gz AAWQNNNAGBZGJZ-HHHXNRCGSA-N 0 0 437.543 6.185 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021536534 521893507 /nfs/dbraw/zinc/89/35/07/521893507.db2.gz ITJVBSGRRKDDHJ-SANMLTNESA-N 0 0 443.497 6.455 50 0 IKAARN COc1cc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000012583789 521894333 /nfs/dbraw/zinc/89/43/33/521894333.db2.gz RRFOKNQUPLSCQV-UHFFFAOYSA-N 0 0 434.536 5.380 50 0 IKAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OCC(=O)c1ccc(C)o1 ZINC000012890555 521895369 /nfs/dbraw/zinc/89/53/69/521895369.db2.gz MFKIBLHCTAOKRD-UHFFFAOYSA-N 0 0 448.471 5.257 50 0 biogenic IKAARN CCc1ccccc1NC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1 ZINC000035910200 521897372 /nfs/dbraw/zinc/89/73/72/521897372.db2.gz PBEDJBWNPKYBKX-QHCPKHFHSA-N 0 0 435.524 5.811 50 0 IKAARN COc1cc(-c2nc(C(=O)NCC(C)C)cs2)ccc1OCc1cccc(Cl)c1 ZINC000034712358 521900527 /nfs/dbraw/zinc/90/05/27/521900527.db2.gz DHRNKMCBRLYCSW-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1cccc(Cl)c1 ZINC000034712369 521900912 /nfs/dbraw/zinc/90/09/12/521900912.db2.gz CZFPXALRPNVOQM-UHFFFAOYSA-N 0 0 428.941 5.287 50 0 IKAARN COc1cc(-c2nc(CN3CCC[C@H]3c3nc4cc(Cl)ccc4[nH]3)c(C)o2)ccc1F ZINC000012444702 521903557 /nfs/dbraw/zinc/90/35/57/521903557.db2.gz QEMATBBWSOHTKO-FQEVSTJZSA-N 0 0 440.906 5.665 50 0 IKAARN CCc1ccccc1NC(=O)[C@H](CC)N1c2ccccc2C(c2ccccc2)=N[C@@H](C)C1=O ZINC000020211999 521903618 /nfs/dbraw/zinc/90/36/18/521903618.db2.gz OJKYFGRGTXVSOX-CYFREDJKSA-N 0 0 439.559 5.239 50 0 IKAARN COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(C)c(Br)c2)ccc1O ZINC000035616348 521907001 /nfs/dbraw/zinc/90/70/01/521907001.db2.gz ZARAPCMNEKKWES-UHFFFAOYSA-N 0 0 438.325 5.838 50 0 IKAARN CCc1ccccc1OCc1nnc(SCc2cc(=O)c3cc(C)cc(C)c3[nH]2)n1CC ZINC000033064375 521922984 /nfs/dbraw/zinc/92/29/84/521922984.db2.gz RUTDYVCBYAGPKO-UHFFFAOYSA-N 0 0 448.592 5.190 50 0 IKAARN COc1cc(/C=C/C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)ccc1OC(F)F ZINC000018891094 521926927 /nfs/dbraw/zinc/92/69/27/521926927.db2.gz ULFNBRKYYMPQEM-DHZHZOJOSA-N 0 0 445.462 5.010 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC(F)F ZINC000012565709 521931915 /nfs/dbraw/zinc/93/19/15/521931915.db2.gz DDYPIVAYCCXFOA-RIYZIHGNSA-N 0 0 425.431 5.528 50 0 IKAARN COC(=O)c1ccc(C=C(Cl)c2nc(=O)c3c([nH]2)sc(C)c3-c2ccccc2)cc1 ZINC000022346705 521933878 /nfs/dbraw/zinc/93/38/78/521933878.db2.gz PYXGDTLYAJWGMH-ATVHPVEESA-N 0 0 436.920 5.484 50 0 IKAARN COC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000020676444 521935884 /nfs/dbraw/zinc/93/58/84/521935884.db2.gz ABKYGRSJSAMPQG-HYARGMPZSA-N 0 0 435.932 5.807 50 0 IKAARN COc1cc(Br)c(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1OC ZINC000012380043 522018367 /nfs/dbraw/zinc/01/83/67/522018367.db2.gz ULVOJWLQNXHODB-CSKARUKUSA-N 0 0 428.282 5.110 50 0 IKAARN COC(=O)c1ccc(COc2ccc(/C=C\c3nc4ccccc4s3)cc2OC)cc1 ZINC000035405077 522046719 /nfs/dbraw/zinc/04/67/19/522046719.db2.gz FSWWEENEGBWRCL-UVTDQMKNSA-N 0 0 431.513 5.841 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CCCCC3 ZINC000035892408 522055450 /nfs/dbraw/zinc/05/54/50/522055450.db2.gz ZHPBWEMKSHVZRD-KRWDZBQOSA-N 0 0 440.657 5.313 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@H](C)C3 ZINC000035525068 522056216 /nfs/dbraw/zinc/05/62/16/522056216.db2.gz WSEQVLUMDPLERW-ROUUACIJSA-N 0 0 448.636 5.292 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CCCCC3 ZINC000035892354 522056622 /nfs/dbraw/zinc/05/66/22/522056622.db2.gz DMQJFYANKXFQPI-INIZCTEOSA-N 0 0 438.597 5.029 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(C)cc4)CC2)n1)CCCC3 ZINC000035849266 522056634 /nfs/dbraw/zinc/05/66/34/522056634.db2.gz NKIZUJGCBMZREW-SFHVURJKSA-N 0 0 448.636 5.354 50 0 IKAARN COc1cc(C(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc(OC)c1OC ZINC000015670874 522056878 /nfs/dbraw/zinc/05/68/78/522056878.db2.gz ACIYVRFRQXUMPL-RUZDIDTESA-N 0 0 444.531 5.364 50 0 IKAARN COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000021358100 522062181 /nfs/dbraw/zinc/06/21/81/522062181.db2.gz KDAMFCWOOWRVSO-UHFFFAOYSA-N 0 0 448.866 5.488 50 0 IKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(OC)cc3)cc2-c2ccc(OC)cc2)cc1 ZINC000017095826 522064489 /nfs/dbraw/zinc/06/44/89/522064489.db2.gz IKQMFAQTTMRMOB-UHFFFAOYSA-N 0 0 428.488 5.069 50 0 IKAARN CC[C@H](C)n1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603582 522070170 /nfs/dbraw/zinc/07/01/70/522070170.db2.gz LSNXOIWKOWDJRB-QMMMGPOBSA-N 0 0 430.307 6.336 50 0 IKAARN CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl ZINC000012767491 522071303 /nfs/dbraw/zinc/07/13/03/522071303.db2.gz RASFWNVRQFUTMP-LJQANCHMSA-N 0 0 432.351 5.000 50 0 IKAARN CC[C@@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(C)cc1 ZINC000035972113 522094906 /nfs/dbraw/zinc/09/49/06/522094906.db2.gz LELKFKZEQKENGE-OAQYLSRUSA-N 0 0 432.612 5.811 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)C1CC1 ZINC000035980507 522095451 /nfs/dbraw/zinc/09/54/51/522095451.db2.gz RKPLGILEYKNBIA-GOSISDBHSA-N 0 0 433.552 5.425 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000035945507 522098247 /nfs/dbraw/zinc/09/82/47/522098247.db2.gz COMVRVFRCGJVRM-GOSISDBHSA-N 0 0 442.579 5.709 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035943883 522098498 /nfs/dbraw/zinc/09/84/98/522098498.db2.gz CYORIRDXVMVAOM-GOSISDBHSA-N 0 0 444.019 5.832 50 0 IKAARN CN(C)c1c(CN(Cc2ccccc2)C(=O)c2ccccc2F)c(-c2ccccc2)nn1C ZINC000035970091 522111009 /nfs/dbraw/zinc/11/10/09/522111009.db2.gz DWAPTWVXYOZATJ-UHFFFAOYSA-N 0 0 442.538 5.135 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4F)nc3c2)cc1 ZINC000034908305 522126202 /nfs/dbraw/zinc/12/62/02/522126202.db2.gz AYYWSMAQPCLVDH-HSZRJFAPSA-N 0 0 429.495 5.677 50 0 IKAARN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2O[C@@H](CC)C1=O ZINC000035873726 522139771 /nfs/dbraw/zinc/13/97/71/522139771.db2.gz JAJABULBUGRUER-YJYMSZOUSA-N 0 0 435.351 5.544 50 0 IKAARN CCc1nc(-c2cc(S(=O)(=O)NCc3ccc(F)c(Cl)c3)c(C)s2)cs1 ZINC000033308450 522142791 /nfs/dbraw/zinc/14/27/91/522142791.db2.gz FDKOGFFKCLUBPO-UHFFFAOYSA-N 0 0 430.979 5.013 50 0 IKAARN COc1cc(C(=O)Nc2ccc(CC34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OC ZINC000015905992 522153389 /nfs/dbraw/zinc/15/33/89/522153389.db2.gz WVFQDZIXJGLHFR-UHFFFAOYSA-N 0 0 435.564 5.724 50 0 IKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196064 522173700 /nfs/dbraw/zinc/17/37/00/522173700.db2.gz RWYHXFGKNALADQ-JTHBVZDNSA-N 0 0 436.870 5.508 50 0 IKAARN CC[C@H](CNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1)c1ccccc1 ZINC000012610012 522174742 /nfs/dbraw/zinc/17/47/42/522174742.db2.gz LRKBRQJMIYQNSR-LJQANCHMSA-N 0 0 446.576 5.238 50 0 IKAARN COc1cc(C(C)=O)ccc1Oc1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC000021324151 522180066 /nfs/dbraw/zinc/18/00/66/522180066.db2.gz HCCNCMJMCSANNS-UHFFFAOYSA-N 0 0 425.554 5.298 50 0 IKAARN CC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCCC1 ZINC000035709596 522213607 /nfs/dbraw/zinc/21/36/07/522213607.db2.gz JZDVGDYAASEXJO-CQSZACIVSA-N 0 0 432.927 5.252 50 0 IKAARN COc1cc(C)c(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1OC ZINC000020885977 522214846 /nfs/dbraw/zinc/21/48/46/522214846.db2.gz GQFMWSQDINGGCH-UHFFFAOYSA-N 0 0 441.940 5.627 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C(=O)NC(C)(C)C)C1CCCCC1 ZINC000035945148 522222377 /nfs/dbraw/zinc/22/23/77/522222377.db2.gz ONMXBEABPGJUKB-UHFFFAOYSA-N 0 0 444.664 5.770 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C[C@@H]1CCCO1)C(=O)CC(C)(C)C ZINC000035944905 522223217 /nfs/dbraw/zinc/22/32/17/522223217.db2.gz MPNJXSQEDTZDDM-NRFANRHFSA-N 0 0 445.648 5.071 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000035946174 522223719 /nfs/dbraw/zinc/22/37/19/522223719.db2.gz USDLORJAOYDIRG-UHFFFAOYSA-N 0 0 449.526 5.066 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C(=O)c1ccco1)C1CCCCC1 ZINC000035944666 522223734 /nfs/dbraw/zinc/22/37/34/522223734.db2.gz QLEABCLLKDQAHA-UHFFFAOYSA-N 0 0 439.600 5.695 50 0 IKAARN CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)NC1CCCCC1 ZINC000035706164 522230781 /nfs/dbraw/zinc/23/07/81/522230781.db2.gz WJOFTTQHLRYXHJ-UHFFFAOYSA-N 0 0 449.382 5.766 50 0 IKAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(Cc1ccccc1)C(=O)CC(C)(C)C ZINC000035944284 522236495 /nfs/dbraw/zinc/23/64/95/522236495.db2.gz QOQKXRINURBBDD-UHFFFAOYSA-N 0 0 447.579 5.563 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000033497089 522241034 /nfs/dbraw/zinc/24/10/34/522241034.db2.gz SRYSNQHMBMFRHY-RZUHQPDASA-N 0 0 443.978 5.849 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)c2cccc3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000012635522 522242025 /nfs/dbraw/zinc/24/20/25/522242025.db2.gz NCVOQODIVTZAMA-AREMUKBSSA-N 0 0 433.555 5.949 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc32)cc1 ZINC000024483421 522242695 /nfs/dbraw/zinc/24/26/95/522242695.db2.gz HWXFOWKAPSJQIW-GCJKJVERSA-N 0 0 430.379 5.066 50 0 IKAARN COc1cc(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000012755959 522322305 /nfs/dbraw/zinc/32/23/05/522322305.db2.gz PWNMTABARQMBGT-UHFFFAOYSA-N 0 0 434.517 5.170 50 0 IKAARN COc1cc(CCC2CCN(C(=O)c3nc(-c4ccccc4)oc3C)CC2)cc(OC)c1 ZINC000012601450 522326228 /nfs/dbraw/zinc/32/62/28/522326228.db2.gz JWDUXZSNPUBFKY-UHFFFAOYSA-N 0 0 434.536 5.152 50 0 IKAARN CN(C)c1nc2ccccc2cc1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263584974 522336341 /nfs/dbraw/zinc/33/63/41/522336341.db2.gz CQHZQYHEQWIFIF-NRFANRHFSA-N 0 0 446.554 5.778 50 0 biogenic IKAARN COc1cc(CN(C(=O)c2cc(F)c(Cl)cc2Cl)C2CC2)ccc1OC(F)F ZINC000021600347 522341206 /nfs/dbraw/zinc/34/12/06/522341206.db2.gz PINBHYVYXHQSEM-UHFFFAOYSA-N 0 0 434.241 5.547 50 0 IKAARN CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000036760968 522365893 /nfs/dbraw/zinc/36/58/93/522365893.db2.gz QIHHTRPIBBLGDZ-MHLWUJJFSA-N 0 0 443.031 5.303 50 0 IKAARN COC(=O)c1csc(CN(C(=O)c2ccc(-c3ccccc3)cc2)C2CCCCC2)n1 ZINC000035744394 522379695 /nfs/dbraw/zinc/37/96/95/522379695.db2.gz CAQZJAVXRWALSZ-UHFFFAOYSA-N 0 0 434.561 5.572 50 0 IKAARN CCc1nc(SCc2ccccc2C(F)(F)F)n(C)c(=O)c1Cc1cccc(C)c1 ZINC000035844585 522408885 /nfs/dbraw/zinc/40/88/85/522408885.db2.gz YDOYOLQJDPMYBL-UHFFFAOYSA-N 0 0 432.511 5.553 50 0 IKAARN CC[C@@H](C)c1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCc2noc(C)n2)cc1 ZINC000012918792 522425692 /nfs/dbraw/zinc/42/56/92/522425692.db2.gz WXVCMTJJRYONRD-CYBMUJFWSA-N 0 0 440.956 5.536 50 0 IKAARN COc1cc(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)cc(OC)c1OC ZINC000033282169 522432430 /nfs/dbraw/zinc/43/24/30/522432430.db2.gz AGBBBOWTMIQOHQ-UHFFFAOYSA-N 0 0 437.517 5.426 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)C)CC2)n1)CCCCC3 ZINC000035892457 522440624 /nfs/dbraw/zinc/44/06/24/522440624.db2.gz GSBOKPPAUQCBIR-QGZVFWFLSA-N 0 0 428.646 5.168 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035865413 522441543 /nfs/dbraw/zinc/44/15/43/522441543.db2.gz WSGZGTYQKPYAGM-HZPDHXFCSA-N 0 0 428.646 5.024 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12 ZINC000017101741 522447746 /nfs/dbraw/zinc/44/77/46/522447746.db2.gz RVKALXITJBWLGB-UHFFFAOYSA-N 0 0 437.908 5.359 50 0 IKAARN CC[C@@H](C)n1c2nc(-c3ccc(Br)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615155 522453510 /nfs/dbraw/zinc/45/35/10/522453510.db2.gz ZSBQZOTXQFBROM-SECBINFHSA-N 0 0 440.313 5.792 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1CCc1ccccc1 ZINC000012871885 522496793 /nfs/dbraw/zinc/49/67/93/522496793.db2.gz YGFCIXYAIJNXOP-UHFFFAOYSA-N 0 0 441.358 5.489 50 0 IKAARN COc1cc(CSCc2csc(NC(=O)c3cc4ccccc4o3)n2)cc(OC)c1 ZINC000012230273 522501386 /nfs/dbraw/zinc/50/13/86/522501386.db2.gz JDKJLYGYKFIGMT-UHFFFAOYSA-N 0 0 440.546 5.592 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429775 522516201 /nfs/dbraw/zinc/51/62/01/522516201.db2.gz GRIJWUIANAPEGB-UHFFFAOYSA-N 0 0 432.911 5.905 50 0 IKAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012862331 522517767 /nfs/dbraw/zinc/51/77/67/522517767.db2.gz UWYNGJTYLRVULU-UHFFFAOYSA-N 0 0 447.716 5.073 50 0 IKAARN COc1cc(Cl)c(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c(OC)c1 ZINC000035429802 522528656 /nfs/dbraw/zinc/52/86/56/522528656.db2.gz UJYFAMCEBJWZHG-UHFFFAOYSA-N 0 0 448.910 5.605 50 0 IKAARN CC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012418778 522537398 /nfs/dbraw/zinc/53/73/98/522537398.db2.gz KLTZAZPJHPOFPO-YMPIYDPWSA-N 0 0 437.605 5.244 50 0 IKAARN CCc1nc2sc([C@@H](c3cccs3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022853858 522537652 /nfs/dbraw/zinc/53/76/52/522537652.db2.gz FBFVPUKEYJJYTJ-HXUWFJFHSA-N 0 0 438.622 5.164 50 0 IKAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)Nc4c(C)cccc4C)CC2)n1)CCCC3 ZINC000035867201 522538822 /nfs/dbraw/zinc/53/88/22/522538822.db2.gz BCUSQRYZJVUYAG-UHFFFAOYSA-N 0 0 449.624 5.103 50 0 IKAARN COc1cc(Cl)ccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266255 522548151 /nfs/dbraw/zinc/54/81/51/522548151.db2.gz AOCFHQSYHDKHRW-HXUWFJFHSA-N 0 0 437.858 5.057 50 0 IKAARN CC[C@@H](COC(=O)c1ccccc1C(F)(F)F)NC(=O)c1ccccc1C(F)(F)F ZINC000012797793 522574648 /nfs/dbraw/zinc/57/46/48/522574648.db2.gz FPSXHPDAHHWEQI-LBPRGKRZSA-N 0 0 433.348 5.090 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035972453 522636762 /nfs/dbraw/zinc/63/67/62/522636762.db2.gz USSHLELPTRVFGJ-UHFFFAOYSA-N 0 0 433.527 5.576 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035972447 522636949 /nfs/dbraw/zinc/63/69/49/522636949.db2.gz VLIJZBNSFAPLKT-UHFFFAOYSA-N 0 0 447.554 5.966 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C(C)=O ZINC000035972525 522637256 /nfs/dbraw/zinc/63/72/56/522637256.db2.gz WKXMWPAXZUVUOT-UHFFFAOYSA-N 0 0 433.483 5.508 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035972445 522637964 /nfs/dbraw/zinc/63/79/64/522637964.db2.gz WSKNZDBUGZUMHG-UHFFFAOYSA-N 0 0 435.543 5.822 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C1CC1)C1CC1 ZINC000035980035 522639798 /nfs/dbraw/zinc/63/97/98/522639798.db2.gz HKDZSYQWKGMOCJ-UHFFFAOYSA-N 0 0 437.490 5.406 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C(=O)C1CCCC1)C1CC1 ZINC000035975779 522640171 /nfs/dbraw/zinc/64/01/71/522640171.db2.gz GLHMIGAKVJKDCC-UHFFFAOYSA-N 0 0 443.591 6.217 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035978266 522640223 /nfs/dbraw/zinc/64/02/23/522640223.db2.gz QHHXURSKUIJJFS-UHFFFAOYSA-N 0 0 436.531 5.449 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035980297 522640486 /nfs/dbraw/zinc/64/04/86/522640486.db2.gz XBSYAZDFAJFHQF-UHFFFAOYSA-N 0 0 436.531 5.449 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)C(C)C ZINC000035975673 522641965 /nfs/dbraw/zinc/64/19/65/522641965.db2.gz UMDZBOBERYMZEW-QHCPKHFHSA-N 0 0 447.579 5.391 50 0 IKAARN COc1cc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc(OC)c1 ZINC000002150579 522654866 /nfs/dbraw/zinc/65/48/66/522654866.db2.gz VRXZPIRZVGYBGZ-UHFFFAOYSA-N 0 0 435.476 5.053 50 0 biogenic IKAARN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccc(C)cc1 ZINC000012743644 522669536 /nfs/dbraw/zinc/66/95/36/522669536.db2.gz ZQPHXLWSKNEMDJ-RUZDIDTESA-N 0 0 444.575 5.277 50 0 IKAARN CC[C@@H](NC(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000012455079 522677467 /nfs/dbraw/zinc/67/74/67/522677467.db2.gz CKKNHAVOCSPQIU-YIXXDRMTSA-N 0 0 446.616 5.654 50 0 IKAARN COc1cc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1 ZINC000034782237 522688737 /nfs/dbraw/zinc/68/87/37/522688737.db2.gz KAJILHDLEWEWEV-DEOSSOPVSA-N 0 0 433.552 5.440 50 0 IKAARN COc1cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc(OC)c1 ZINC000021891434 522690799 /nfs/dbraw/zinc/69/07/99/522690799.db2.gz BVEHXUZCOCOISH-DEOSSOPVSA-N 0 0 445.544 5.693 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)c(OC)cc1Cl ZINC000012766137 522717856 /nfs/dbraw/zinc/71/78/56/522717856.db2.gz JHBGDWDXSVUOPY-UHFFFAOYSA-N 0 0 443.912 5.491 50 0 IKAARN COc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1NC(=O)c1ccco1 ZINC000022171089 522726445 /nfs/dbraw/zinc/72/64/45/522726445.db2.gz CNIMKIUXUIRCFI-UHFFFAOYSA-N 0 0 442.471 5.372 50 0 IKAARN COc1cc(NC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c(OC)cc1Cl ZINC000022529208 522734440 /nfs/dbraw/zinc/73/44/40/522734440.db2.gz NYYUTLWANLTWOJ-UHFFFAOYSA-N 0 0 433.961 5.529 50 0 IKAARN COCC(=O)N(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000035976989 522737076 /nfs/dbraw/zinc/73/70/76/522737076.db2.gz YKLPQXSHULVFEO-UHFFFAOYSA-N 0 0 445.519 5.050 50 0 IKAARN COc1cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc(OC)c1 ZINC000020988673 522759062 /nfs/dbraw/zinc/75/90/62/522759062.db2.gz YQQREZVWQZCNCS-OAQYLSRUSA-N 0 0 439.874 5.748 50 0 IKAARN CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2cc3sccc3n21 ZINC000020510744 522783463 /nfs/dbraw/zinc/78/34/63/522783463.db2.gz SNRNQGLWQCGQLB-UHFFFAOYSA-N 0 0 436.484 5.256 50 0 IKAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2ccccc2OC)c2cc3sccc3n21 ZINC000020510758 522786417 /nfs/dbraw/zinc/78/64/17/522786417.db2.gz PQJJMUKKUIUVFF-KRWDZBQOSA-N 0 0 426.567 5.024 50 0 IKAARN CCc1nnc2c(Oc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc3ccccc3n12 ZINC000035461003 522794647 /nfs/dbraw/zinc/79/46/47/522794647.db2.gz BXHLMZPYAFNRKM-UHFFFAOYSA-N 0 0 427.439 5.024 50 0 IKAARN CCc1nnc2c(Oc3ccc(NC(=O)c4ccccc4F)cc3)nc3ccccc3n12 ZINC000035461042 522796937 /nfs/dbraw/zinc/79/69/37/522796937.db2.gz MLHHLUBRFFCSAY-UHFFFAOYSA-N 0 0 427.439 5.024 50 0 IKAARN CCc1nnc2c(Oc3cccc(NC(=O)c4ccc(F)cc4)c3)nc3ccccc3n12 ZINC000035461147 522797325 /nfs/dbraw/zinc/79/73/25/522797325.db2.gz BMCUTHXSRITLQC-UHFFFAOYSA-N 0 0 427.439 5.024 50 0 IKAARN CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccc(Br)cc43)nn12 ZINC000012273741 522805331 /nfs/dbraw/zinc/80/53/31/522805331.db2.gz KEFQMALMWONRBC-UHFFFAOYSA-N 0 0 436.338 5.393 50 0 IKAARN COc1cc(OC)c(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1Cl ZINC000020852654 522815827 /nfs/dbraw/zinc/81/58/27/522815827.db2.gz LXGYIQBTONRTEM-NRFANRHFSA-N 0 0 439.874 5.748 50 0 IKAARN COc1cc(OC)cc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C)no2)c1 ZINC000035453754 522835575 /nfs/dbraw/zinc/83/55/75/522835575.db2.gz BQUWCLVYWNVJOM-UHFFFAOYSA-N 0 0 445.500 5.162 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cc(F)cc(F)c3)n2C2CCCCC2)c1 ZINC000035847584 522838373 /nfs/dbraw/zinc/83/83/73/522838373.db2.gz RKOMBMMADCKIHV-UHFFFAOYSA-N 0 0 445.535 6.038 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cc(C)ccc3C)n2C2CCCCC2)c1 ZINC000035847569 522839824 /nfs/dbraw/zinc/83/98/24/522839824.db2.gz QLKSBKGBQKIDQA-UHFFFAOYSA-N 0 0 437.609 6.377 50 0 IKAARN COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000034907687 522846068 /nfs/dbraw/zinc/84/60/68/522846068.db2.gz IGLQCUHXYBIADP-QHCPKHFHSA-N 0 0 428.488 5.489 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1 ZINC000021363016 522857168 /nfs/dbraw/zinc/85/71/68/522857168.db2.gz VWSOBQPQBMOTGN-UHFFFAOYSA-N 0 0 428.488 5.895 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000035910859 522859126 /nfs/dbraw/zinc/85/91/26/522859126.db2.gz LDXURGOFOPXWSD-VWLOTQADSA-N 0 0 448.544 5.043 50 0 IKAARN COc1cc(SC)ccc1C(=O)N[C@H](Cc1nc2ccccc2n1C)c1ccccc1 ZINC000012628687 522897194 /nfs/dbraw/zinc/89/71/94/522897194.db2.gz HIGAKEDMWRBMLJ-OAQYLSRUSA-N 0 0 431.561 5.018 50 0 IKAARN COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccccc3OC)c21 ZINC000012445368 522919095 /nfs/dbraw/zinc/91/90/95/522919095.db2.gz IQOWXNBKRAKUOC-QFIPXVFZSA-N 0 0 448.544 5.094 50 0 IKAARN COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccc(OC)cc3)c21 ZINC000012445350 522920564 /nfs/dbraw/zinc/92/05/64/522920564.db2.gz SIGZLXJKYLUZGA-UHFFFAOYSA-N 0 0 446.528 5.243 50 0 IKAARN COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)N2c1ccc(F)cc1 ZINC000012445432 522920806 /nfs/dbraw/zinc/92/08/06/522920806.db2.gz XCFPCVCHWFLMCW-FQEVSTJZSA-N 0 0 446.309 5.563 50 0 IKAARN CC[C@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000020510722 522928002 /nfs/dbraw/zinc/92/80/02/522928002.db2.gz MOURHLNDTSRZTM-KRWDZBQOSA-N 0 0 446.985 5.424 50 0 IKAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)ccc1OC(=O)c1ccco1 ZINC000015947503 522928389 /nfs/dbraw/zinc/92/83/89/522928389.db2.gz DSHDFUDUMXINMD-FKIZINRSSA-N 0 0 438.505 5.123 50 0 IKAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Br)c1OC ZINC000015947684 522928948 /nfs/dbraw/zinc/92/89/48/522928948.db2.gz QPICGJYSQHRQCU-VVVCHXIZSA-N 0 0 437.359 5.082 50 0 IKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015945284 522932952 /nfs/dbraw/zinc/93/29/52/522932952.db2.gz DJNLNGTTYFWUAH-QFIPXVFZSA-N 0 0 448.544 5.017 50 0 IKAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)cc2)ccc1F ZINC000020600142 522933652 /nfs/dbraw/zinc/93/36/52/522933652.db2.gz UDHNSFFOMMTFCY-HHHXNRCGSA-N 0 0 443.522 5.422 50 0 IKAARN COCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)c(C)c2C)o1 ZINC000012192891 522953347 /nfs/dbraw/zinc/95/33/47/522953347.db2.gz NKFSAXQOYFHMDL-AREMUKBSSA-N 0 0 444.531 5.321 50 0 IKAARN COCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2OC)s1 ZINC000011946594 522953659 /nfs/dbraw/zinc/95/36/59/522953659.db2.gz UVICWNQYTBKHAB-XMMPIXPASA-N 0 0 432.545 5.172 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OCc1ccccc1 ZINC000012578590 522965327 /nfs/dbraw/zinc/96/53/27/522965327.db2.gz UUJMCAXBVHAQBA-MHZLTWQESA-N 0 0 433.511 6.263 50 0 IKAARN COc1cc2c(cc1NC(=O)C13C[C@H]4C[C@@H](C1)CC(n1cncn1)(C4)C3)oc1ccccc12 ZINC000012649395 523018251 /nfs/dbraw/zinc/01/82/51/523018251.db2.gz HSHMIFYXZMMBDE-PISAZTPISA-N 0 0 442.519 5.120 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccccc1OCc1csc(C)n1)oc1ccccc12 ZINC000018078790 523019343 /nfs/dbraw/zinc/01/93/43/523019343.db2.gz GCWTVTSRFPQHLJ-UHFFFAOYSA-N 0 0 444.512 6.191 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000023442293 523040484 /nfs/dbraw/zinc/04/04/84/523040484.db2.gz BVBDVHGLNAIZNC-HSZRJFAPSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1cc(F)ccc1F)CC2 ZINC000023447834 523040570 /nfs/dbraw/zinc/04/05/70/523040570.db2.gz JHUOARLZGRUMII-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C/C(C)=C/c1ccccc1)CC2 ZINC000012342834 523050667 /nfs/dbraw/zinc/05/06/67/523050667.db2.gz PIELDJLKGZCLNU-ZICGYBOYSA-N 0 0 433.979 6.408 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(F)cc1F)CC2 ZINC000022023185 523051266 /nfs/dbraw/zinc/05/12/66/523051266.db2.gz AQVFEFCWMHJEPV-DEOSSOPVSA-N 0 0 429.894 5.783 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000023440605 523051453 /nfs/dbraw/zinc/05/14/53/523051453.db2.gz BGCKNCQLPTVCPL-QHCPKHFHSA-N 0 0 440.902 5.676 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Cl ZINC000015733544 523056086 /nfs/dbraw/zinc/05/60/86/523056086.db2.gz FZIXJUJKAITZJO-HXUWFJFHSA-N 0 0 433.895 5.853 50 0 IKAARN COc1cc2nc3n(c(=O)c2cc1OC)CCCC/C3=C\c1ccc(C(F)(F)F)cc1 ZINC000012634098 523067395 /nfs/dbraw/zinc/06/73/95/523067395.db2.gz CUUHSRUTUWOGSW-RVDMUPIBSA-N 0 0 430.426 5.157 50 0 IKAARN COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2cc1OC ZINC000021017689 523070040 /nfs/dbraw/zinc/07/00/40/523070040.db2.gz AZFLFLMNVOWGMM-UHFFFAOYSA-N 0 0 443.934 6.528 50 0 IKAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000012554858 523073418 /nfs/dbraw/zinc/07/34/18/523073418.db2.gz NANBBTHFZWAUID-VWLOTQADSA-N 0 0 443.522 5.674 50 0 IKAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1cccnc1Cl ZINC000020722143 523073651 /nfs/dbraw/zinc/07/36/51/523073651.db2.gz ZZMUREVYVPPFGD-UHFFFAOYSA-N 0 0 434.879 5.088 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OCC(=O)c4ccccc4)ccc3oc2=O)cc1OC ZINC000011866230 523074777 /nfs/dbraw/zinc/07/47/77/523074777.db2.gz DFXSZQYYPBIBGE-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 IKAARN COc1ccc(-c2c/c(=N\c3ccc(Nc4ccccc4)cc3)c3ccccc3o2)cc1OC ZINC000012661639 523078549 /nfs/dbraw/zinc/07/85/49/523078549.db2.gz ZKUWTMHTTNOREK-QCKNELIISA-N 0 0 448.522 7.093 50 0 biogenic IKAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(Cc3cccs3)CO4)c2=O)cc1OC ZINC000020677938 523078640 /nfs/dbraw/zinc/07/86/40/523078640.db2.gz CRGOINAJANHQCN-UHFFFAOYSA-N 0 0 449.528 5.199 50 0 biogenic IKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CNc3ccc(F)cc3)n2)cc1 ZINC000021659525 523083221 /nfs/dbraw/zinc/08/32/21/523083221.db2.gz DXDUUZMLSWNQEK-UHFFFAOYSA-N 0 0 442.494 5.317 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3ccccc3F)n2)cc1 ZINC000021792827 523084290 /nfs/dbraw/zinc/08/42/90/523084290.db2.gz DZBKQZMCPAHTHS-UHFFFAOYSA-N 0 0 429.451 5.219 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3ccccc3OC)n2)cc1 ZINC000021792831 523084482 /nfs/dbraw/zinc/08/44/82/523084482.db2.gz NWAFNTQVHVVSIO-UHFFFAOYSA-N 0 0 441.487 5.089 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3cccc(C)c3C)n2)cc1 ZINC000021659361 523086500 /nfs/dbraw/zinc/08/65/00/523086500.db2.gz WKKIJGKCLUDLDG-UHFFFAOYSA-N 0 0 438.531 5.487 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)n3ccc4cc(OC)c(OC)cc4c23)cc1OC ZINC000012336441 523087239 /nfs/dbraw/zinc/08/72/39/523087239.db2.gz SREZMASOWCYWFO-UHFFFAOYSA-N 0 0 439.511 6.461 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(C[C@H](C)c2ccccc2)CO4)cc1 ZINC000020610012 523090016 /nfs/dbraw/zinc/09/00/16/523090016.db2.gz AGQUCBAWQAMFJI-SFHVURJKSA-N 0 0 441.527 5.733 50 0 biogenic IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)c(C)c4)c3n2)cc1OC ZINC000012393149 523103574 /nfs/dbraw/zinc/10/35/74/523103574.db2.gz MPGDQWSZNSQNQS-UHFFFAOYSA-N 0 0 441.453 6.049 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(Cl)cc4)c3n2)cc1 ZINC000020604597 523104430 /nfs/dbraw/zinc/10/44/30/523104430.db2.gz NATJTIXEBLPMKL-UHFFFAOYSA-N 0 0 431.845 6.136 50 0 IKAARN COc1ccc(-c2cc(COC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1OC ZINC000012726848 523108426 /nfs/dbraw/zinc/10/84/26/523108426.db2.gz RQLBDDUIGDTHGK-UHFFFAOYSA-N 0 0 441.911 5.567 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3cccc(F)c3)no2)c(OC)c1 ZINC000036001813 523108635 /nfs/dbraw/zinc/10/86/35/523108635.db2.gz USENYHXUQVUVDF-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc(C)cc3)no2)c(OC)c1 ZINC000036001811 523109309 /nfs/dbraw/zinc/10/93/09/523109309.db2.gz WVEFOVBFPXFUET-UHFFFAOYSA-N 0 0 442.515 5.510 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3cccc(OC)c3)no2)cc1 ZINC000036012098 523109835 /nfs/dbraw/zinc/10/98/35/523109835.db2.gz YBSHPKAAQMYOAU-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN CCn1c(C(=O)NCCC2=CCCCC2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277400 523116710 /nfs/dbraw/zinc/11/67/10/523116710.db2.gz SRJYJSURWVDKMM-UHFFFAOYSA-N 0 0 444.604 6.196 50 0 IKAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N3)cc1 ZINC000020746089 523122105 /nfs/dbraw/zinc/12/21/05/523122105.db2.gz BXUXZEIHVYXQJY-KRWDZBQOSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2cc3nc(C)cc(N4CCC(Cc5ccccc5)CC4)n3n2)cc1OC ZINC000021150340 523123966 /nfs/dbraw/zinc/12/39/66/523123966.db2.gz OACGGVWJYZRSBZ-UHFFFAOYSA-N 0 0 442.563 5.181 50 0 IKAARN COc1ccc(-c2cc3ncnc(N4CCC[C@@H]4c4nnc5n4CCCCC5)c3s2)cc1 ZINC000012881067 523124816 /nfs/dbraw/zinc/12/48/16/523124816.db2.gz VQISUCHPJHOTIW-LJQANCHMSA-N 0 0 446.580 5.026 50 0 IKAARN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000012208075 523138416 /nfs/dbraw/zinc/13/84/16/523138416.db2.gz PPNDSXCLZLEOMC-LJQANCHMSA-N 0 0 436.502 5.491 50 0 IKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)n2)cc1 ZINC000023461460 523138968 /nfs/dbraw/zinc/13/89/68/523138968.db2.gz WKHXNUOMWHUVNT-UHFFFAOYSA-N 0 0 440.499 5.694 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)cc1 ZINC000020555547 523146186 /nfs/dbraw/zinc/14/61/86/523146186.db2.gz BDEPOCXQRIXUBT-UHFFFAOYSA-N 0 0 447.438 5.151 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccccc3OC)n2CC(C)C)cc1Br ZINC000015746272 523159621 /nfs/dbraw/zinc/15/96/21/523159621.db2.gz VLXYUUOADYGBHM-LNVKXUELSA-N 0 0 447.398 5.885 50 0 IKAARN COc1ccc(-c2csc3ncnc(N4CCN(c5cccc(C)c5C)CC4)c23)cc1 ZINC000012634664 523172283 /nfs/dbraw/zinc/17/22/83/523172283.db2.gz WYFAOYQYPVWOOU-UHFFFAOYSA-N 0 0 430.577 5.310 50 0 IKAARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCc4cccc(F)c4)cc2)CC(=O)O3)cc1 ZINC000012370975 523178966 /nfs/dbraw/zinc/17/89/66/523178966.db2.gz JGRASGBHBUCIIX-QFIPXVFZSA-N 0 0 444.462 5.244 50 0 IKAARN COc1ccc(-c2nc(S[C@H](CC(=O)NCc3ccccc3)c3ccccc3)n[nH]2)cc1 ZINC000012176667 523179067 /nfs/dbraw/zinc/17/90/67/523179067.db2.gz QMMAPFDYUWYCOI-JOCHJYFZSA-N 0 0 444.560 5.020 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc2)nc2ccccc21 ZINC000021357650 523181573 /nfs/dbraw/zinc/18/15/73/523181573.db2.gz ZRENECMJAMUBCJ-UHFFFAOYSA-N 0 0 444.535 5.503 50 0 IKAARN COc1ccc(-c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC ZINC000012389756 523186273 /nfs/dbraw/zinc/18/62/73/523186273.db2.gz GROXUBMZTNPAHO-UHFFFAOYSA-N 0 0 444.306 5.363 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C(C)=O)c3)nn2-c2cccc(Cl)c2)cc1 ZINC000014610000 523191177 /nfs/dbraw/zinc/19/11/77/523191177.db2.gz KALGPTFKMROYGN-UHFFFAOYSA-N 0 0 446.894 5.051 50 0 IKAARN COc1ccc(-c2nc(CC(=O)NCc3ccc(-c4csc(C)n4)cc3)cs2)cc1 ZINC000012615376 523196129 /nfs/dbraw/zinc/19/61/29/523196129.db2.gz DFJBTQLNNZFJEM-UHFFFAOYSA-N 0 0 435.574 5.110 50 0 IKAARN CN(Cc1ccc(-c2cccc(Cl)c2)o1)Cc1nnc(SCc2ccncc2)n1C ZINC000012149657 523196459 /nfs/dbraw/zinc/19/64/59/523196459.db2.gz AHTQKRVALXNKNQ-UHFFFAOYSA-N 0 0 439.972 5.048 50 0 IKAARN COc1ccc(-c2nc(CN(C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c2ccccc12 ZINC000012373776 523199717 /nfs/dbraw/zinc/19/97/17/523199717.db2.gz ISKCAUQKARGDAY-UHFFFAOYSA-N 0 0 438.531 5.630 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1Sc1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000015009447 523204938 /nfs/dbraw/zinc/20/49/38/523204938.db2.gz SDJODGIVYXHVNR-UHFFFAOYSA-N 0 0 438.556 5.549 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 ZINC000012858124 523208228 /nfs/dbraw/zinc/20/82/28/523208228.db2.gz PHWGXFWBBUOPSR-JTQLQIEISA-N 0 0 437.462 5.804 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4cc(C)cc(C)c4)o3)cs2)cc1OC ZINC000022237781 523215108 /nfs/dbraw/zinc/21/51/08/523215108.db2.gz UTMSIIWFZYWYHU-UHFFFAOYSA-N 0 0 439.562 5.786 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc4sc5ccccc5n34)cs2)cc1OC ZINC000023638316 523215190 /nfs/dbraw/zinc/21/51/90/523215190.db2.gz LBKWZQNVDAPCFU-UHFFFAOYSA-N 0 0 440.575 5.377 50 0 IKAARN COc1ccc(-c2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2C)cc1 ZINC000012263999 523221029 /nfs/dbraw/zinc/22/10/29/523221029.db2.gz QZNIZDPWARAISJ-UHFFFAOYSA-N 0 0 437.496 5.493 50 0 IKAARN CCn1c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)nnc1C1CC1 ZINC000012735123 523222347 /nfs/dbraw/zinc/22/23/47/523222347.db2.gz WQKSUNBTXRBLQA-IBGZPJMESA-N 0 0 436.606 5.148 50 0 IKAARN COc1ccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000037385699 523223237 /nfs/dbraw/zinc/22/32/37/523223237.db2.gz YIYQOSRKKUFBOS-UHFFFAOYSA-N 0 0 448.548 5.292 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(C)c1OC ZINC000012651144 523228445 /nfs/dbraw/zinc/22/84/45/523228445.db2.gz LTUSTROHIYQQGZ-UHFFFAOYSA-N 0 0 430.504 6.196 50 0 IKAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c2ccccc2O1 ZINC000020489442 523228801 /nfs/dbraw/zinc/22/88/01/523228801.db2.gz LTPNQXXARRTPNA-QFIPXVFZSA-N 0 0 435.568 5.258 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)cc1 ZINC000035622031 523229100 /nfs/dbraw/zinc/22/91/00/523229100.db2.gz FKJQHYZQTVQQPG-UHFFFAOYSA-N 0 0 428.717 6.169 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000001066351 523229517 /nfs/dbraw/zinc/22/95/17/523229517.db2.gz KNDRFGQTPYOMEN-UHFFFAOYSA-N 0 0 444.487 5.650 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc(Br)cc2)cc1OC ZINC000035615900 523230417 /nfs/dbraw/zinc/23/04/17/523230417.db2.gz CAGCZUWYNVLQFZ-UHFFFAOYSA-N 0 0 438.325 5.833 50 0 IKAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000012744612 523230962 /nfs/dbraw/zinc/23/09/62/523230962.db2.gz CDNPWKODOOWEOK-UHFFFAOYSA-N 0 0 432.307 5.180 50 0 IKAARN COc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017094289 523239496 /nfs/dbraw/zinc/23/94/96/523239496.db2.gz IKWXKEHHQAUVFO-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)nnc1C1CC1 ZINC000012907248 523241665 /nfs/dbraw/zinc/24/16/65/523241665.db2.gz ONVRUVJWPAOMJM-JTQLQIEISA-N 0 0 429.596 5.055 50 0 IKAARN CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009664604 523242363 /nfs/dbraw/zinc/24/23/63/523242363.db2.gz UGUCVWJYMJZEJK-OAQYLSRUSA-N 0 0 432.524 5.576 50 0 IKAARN COc1ccc(-c2nn(CC(=O)Nc3cccc(F)c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996496 523243767 /nfs/dbraw/zinc/24/37/67/523243767.db2.gz OGGVNTWIVFWMDQ-UHFFFAOYSA-N 0 0 444.441 5.177 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2nc3ccccc3[nH]2)cc1 ZINC000012316382 523244154 /nfs/dbraw/zinc/24/41/54/523244154.db2.gz WGKBGKXPIJWYLX-UHFFFAOYSA-N 0 0 441.510 5.195 50 0 IKAARN CCn1c(S[C@@H]2CCCC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000012777385 523244378 /nfs/dbraw/zinc/24/43/78/523244378.db2.gz BAUKFQKZLRJPKC-HSZRJFAPSA-N 0 0 428.561 5.702 50 0 IKAARN COc1ccc(-c2nn(CC(=O)Nc3ccccc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996413 523244520 /nfs/dbraw/zinc/24/45/20/523244520.db2.gz OVXKVNHCKQMJFX-UHFFFAOYSA-N 0 0 426.451 5.038 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2csc(C)n2)cc1F ZINC000012584514 523244715 /nfs/dbraw/zinc/24/47/15/523244715.db2.gz PJIDTQIJAJYYOX-UHFFFAOYSA-N 0 0 436.556 5.392 50 0 IKAARN CCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O ZINC000012797964 523244879 /nfs/dbraw/zinc/24/48/79/523244879.db2.gz DYOUGWARMWEMOF-MRXNPFEDSA-N 0 0 449.601 5.289 50 0 IKAARN COc1ccc(-c2nn(CN3CCC[C@@H]3c3ccc(OC)cc3)c(=S)n2C(C)C)cc1 ZINC000012787480 523247802 /nfs/dbraw/zinc/24/78/02/523247802.db2.gz UCZTXHRSKZZTQY-JOCHJYFZSA-N 0 0 438.597 5.474 50 0 IKAARN COc1ccc(-c2nn(CN3CCC[C@H]3c3ccc(OC)cc3)c(=S)n2C(C)C)cc1 ZINC000012787478 523247965 /nfs/dbraw/zinc/24/79/65/523247965.db2.gz UCZTXHRSKZZTQY-QFIPXVFZSA-N 0 0 438.597 5.474 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4ccccc4OC)n3)o2)cc1 ZINC000035446326 523252543 /nfs/dbraw/zinc/25/25/43/523252543.db2.gz JGBLERFGYWRHFJ-UHFFFAOYSA-N 0 0 425.448 5.108 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCCc4ccc(C)cc4)n3)o2)cc1 ZINC000035560752 523252827 /nfs/dbraw/zinc/25/28/27/523252827.db2.gz RECOSJUTSSYKRB-UHFFFAOYSA-N 0 0 437.503 5.318 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1 ZINC000035847869 523262345 /nfs/dbraw/zinc/26/23/45/523262345.db2.gz KEBFVVIJTDLBIM-UHFFFAOYSA-N 0 0 448.419 7.058 50 0 IKAARN COc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C2CCCCC2)cc1 ZINC000035847864 523264992 /nfs/dbraw/zinc/26/49/92/523264992.db2.gz ZRANXTSJFZOZNO-UHFFFAOYSA-N 0 0 447.526 6.770 50 0 IKAARN COc1ccc(-c2nnc(Sc3nc(C)nc4scc(-c5cccs5)c43)o2)cc1 ZINC000020667141 523265735 /nfs/dbraw/zinc/26/57/35/523265735.db2.gz OVZLNMWEBBCDQD-UHFFFAOYSA-N 0 0 438.559 5.938 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1C ZINC000036031515 523266466 /nfs/dbraw/zinc/26/64/66/523266466.db2.gz SPBKXILNXQZPCW-UHFFFAOYSA-N 0 0 444.984 5.363 50 0 IKAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3c4ccccc4nc4c3CCCCC4)o2)cc1 ZINC000012933853 523266334 /nfs/dbraw/zinc/26/63/34/523266334.db2.gz POKYEVGEHWIPQJ-INIZCTEOSA-N 0 0 443.503 5.480 50 0 IKAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 ZINC000012679539 523266659 /nfs/dbraw/zinc/26/66/59/523266659.db2.gz ULGCCENYWARMMA-CYBMUJFWSA-N 0 0 439.566 5.177 50 0 IKAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 ZINC000012679544 523268103 /nfs/dbraw/zinc/26/81/03/523268103.db2.gz ULGCCENYWARMMA-ZDUSSCGKSA-N 0 0 439.566 5.177 50 0 IKAARN COc1ccc(-c2nnc3sc(-c4ccccc4-c4nc5ccccc5s4)nn32)cc1 ZINC000012389887 523269419 /nfs/dbraw/zinc/26/94/19/523269419.db2.gz ZMJQGXVZTAEVBH-UHFFFAOYSA-N 0 0 441.541 5.805 50 0 IKAARN CCn1c2ccccc2c(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c1-c1ccccc1 ZINC000014360603 523272556 /nfs/dbraw/zinc/27/25/56/523272556.db2.gz NTXKHASIDPVCCF-QFIPXVFZSA-N 0 0 430.331 5.638 50 0 IKAARN CCn1c2ccccc2c2cc(Nc3cc(C)nc4nc(-c5ccc(C)cc5)nn43)ccc21 ZINC000021089372 523276613 /nfs/dbraw/zinc/27/66/13/523276613.db2.gz WGJMMZWHJDVPOU-UHFFFAOYSA-N 0 0 432.531 6.280 50 0 IKAARN CCn1c2ccccc2c2cc([C@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)ccc21 ZINC000012180936 523278005 /nfs/dbraw/zinc/27/80/05/523278005.db2.gz SGBUYXOKZMIPTR-PQHLKRTFSA-N 0 0 443.550 7.057 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)c3cc(C)ccc3C)C3CCCCC3)n2)cc1OC ZINC000012843414 523284094 /nfs/dbraw/zinc/28/40/94/523284094.db2.gz HMVPODMUNGJLRR-UHFFFAOYSA-N 0 0 449.551 5.346 50 0 IKAARN COc1ccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)c(OC)c1 ZINC000033022099 523292396 /nfs/dbraw/zinc/29/23/96/523292396.db2.gz ALVHOIBQBHNMEA-UHFFFAOYSA-N 0 0 434.521 5.120 50 0 IKAARN COc1ccc(-c2noc(CSc3ncc(-c4ccccc4)n3C3CC3)n2)cc1OC ZINC000012541110 523296079 /nfs/dbraw/zinc/29/60/79/523296079.db2.gz GUAFLDWNGORWFB-UHFFFAOYSA-N 0 0 434.521 5.245 50 0 IKAARN COc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1OC ZINC000033021919 523296882 /nfs/dbraw/zinc/29/68/82/523296882.db2.gz OCOIXIYXWGNRSI-UHFFFAOYSA-N 0 0 440.912 5.157 50 0 IKAARN CCn1cc(-c2cc(C(F)F)nc3sc4c(nc(-c5ccsc5)[nH]c4=O)c32)c(C)n1 ZINC000019638227 523298791 /nfs/dbraw/zinc/29/87/91/523298791.db2.gz QFCOZLABXLAXAH-UHFFFAOYSA-N 0 0 443.504 5.391 50 0 IKAARN CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255944 523299472 /nfs/dbraw/zinc/29/94/72/523299472.db2.gz SPJBKCUAZNNIGC-UHFFFAOYSA-N 0 0 432.499 5.176 50 0 IKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 ZINC000011866466 523305856 /nfs/dbraw/zinc/30/58/56/523305856.db2.gz LHSRSWAFQCWDIB-UHFFFAOYSA-N 0 0 444.487 5.352 50 0 IKAARN COc1ccc(-n2c(/C=C/c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1Cl ZINC000020662560 523307529 /nfs/dbraw/zinc/30/75/29/523307529.db2.gz FMXHZOKUEXCQOV-LFIBNONCSA-N 0 0 444.962 6.516 50 0 IKAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCCC(C)C)COC(C)(C)C4)cc1 ZINC000002956927 523309382 /nfs/dbraw/zinc/30/93/82/523309382.db2.gz AFIRXMJROFZJJD-UHFFFAOYSA-N 0 0 444.622 5.445 50 0 IKAARN COc1ccc(-n2c(/C=C\c3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000033416520 523310073 /nfs/dbraw/zinc/31/00/73/523310073.db2.gz XWIUGELZBDDBGF-NVNXTCNLSA-N 0 0 448.975 6.158 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000012657775 523323850 /nfs/dbraw/zinc/32/38/50/523323850.db2.gz VGDGWAFHDCHMDE-KRWDZBQOSA-N 0 0 429.545 5.104 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2S[C@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000012528981 523324877 /nfs/dbraw/zinc/32/48/77/523324877.db2.gz WWXQRSRLOAFARV-GOSISDBHSA-N 0 0 435.593 5.521 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(C)c1)CCCC3 ZINC000021918833 523335865 /nfs/dbraw/zinc/33/58/65/523335865.db2.gz OKRZPLPUSQJJJM-DEOSSOPVSA-N 0 0 449.620 5.377 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1Cl ZINC000001268635 523350934 /nfs/dbraw/zinc/35/09/34/523350934.db2.gz JRZSTZZQFBLFLR-UHFFFAOYSA-N 0 0 441.318 5.226 50 0 IKAARN COc1ccc(/C=C(/CC(=O)Nc2c(C)cc(C)cc2C)c2nc3ccccc3s2)cc1 ZINC000012566519 523380393 /nfs/dbraw/zinc/38/03/93/523380393.db2.gz NMEODEBWMYMFDD-QNGOZBTKSA-N 0 0 442.584 6.800 50 0 IKAARN COc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1OCc1ccccc1 ZINC000012921996 523381873 /nfs/dbraw/zinc/38/18/73/523381873.db2.gz DCFXYBNCZGIWNH-MOSHPQCFSA-N 0 0 432.907 5.968 50 0 IKAARN COc1ccc(/C=C/CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)cc1 ZINC000012332796 523405731 /nfs/dbraw/zinc/40/57/31/523405731.db2.gz WCOBXRSAXUCGJF-SNAWJCMRSA-N 0 0 444.556 5.585 50 0 IKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(C)cc4)cc3NC2=O)cc1 ZINC000020734159 523415659 /nfs/dbraw/zinc/41/56/59/523415659.db2.gz PIDBBHNNYHEMEV-BUVRLJJBSA-N 0 0 444.556 5.061 50 0 biogenic IKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccc(C)cc4)cc3NC2=O)cc1 ZINC000020734210 523416505 /nfs/dbraw/zinc/41/65/05/523416505.db2.gz OGGVCZYMNLBQFN-YDZHTSKRSA-N 0 0 430.529 5.019 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccc(C)cc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000033395730 523429092 /nfs/dbraw/zinc/42/90/92/523429092.db2.gz XEKAQYSJDDURSW-WQLSENKSSA-N 0 0 439.627 6.818 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@H](C)CCc2ccccc2)c2ccc(F)cc2)c2ccccc21 ZINC000035872185 523461282 /nfs/dbraw/zinc/46/12/82/523461282.db2.gz NTYDWEUHTRALEJ-RLWLMLJZSA-N 0 0 442.578 6.460 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@H](C)c2ccccc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000035872221 523461784 /nfs/dbraw/zinc/46/17/84/523461784.db2.gz DTKUTDXXBKKWEE-XXBNENTESA-N 0 0 440.543 5.789 50 0 IKAARN CCn1cc([C@H](CC(=O)N2CCc3ccccc3C2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872390 523477771 /nfs/dbraw/zinc/47/77/71/523477771.db2.gz ZLKZBNOZGGZPHE-RUZDIDTESA-N 0 0 442.990 6.422 50 0 IKAARN CN(Cc1ccsc1)Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1 ZINC000012213107 523488155 /nfs/dbraw/zinc/48/81/55/523488155.db2.gz CTOSZSLXHVYSRN-UHFFFAOYSA-N 0 0 442.013 5.302 50 0 IKAARN CN(Cc1nc2ccccc2s1)Cn1nc(-c2ccccc2Br)[nH]c1=S ZINC000012909595 523570550 /nfs/dbraw/zinc/57/05/50/523570550.db2.gz QKOLAOVRKPMHHI-UHFFFAOYSA-N 0 0 446.399 5.069 50 0 IKAARN COc1ccc(C(=O)C[C@@H](Nc2cccc(Cl)c2)c2ccc(Br)cc2)cc1 ZINC000016216202 523592187 /nfs/dbraw/zinc/59/21/87/523592187.db2.gz SIFSLADLZGYULJ-OAQYLSRUSA-N 0 0 444.756 6.537 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccc(F)cc2Cl)C1=O ZINC000035909880 523606686 /nfs/dbraw/zinc/60/66/86/523606686.db2.gz WJKYBILPJZVCEX-FQEVSTJZSA-N 0 0 446.950 5.554 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2CN(Cc2ccccc2)C1=O ZINC000035886219 523606994 /nfs/dbraw/zinc/60/69/94/523606994.db2.gz UXJAPEGRNMWZOF-QFIPXVFZSA-N 0 0 449.938 5.684 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882664 523607031 /nfs/dbraw/zinc/60/70/31/523607031.db2.gz WGIJIKIFAMFIFC-DQEYMECFSA-N 0 0 440.543 5.516 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccc(F)cc2)cc1 ZINC000036012513 523613630 /nfs/dbraw/zinc/61/36/30/523613630.db2.gz GOWGGKASLDVDKK-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN COc1ccc(C(=O)N(Cc2ccc(OC)c(OC(C)C)c2)C2CCCC2)c(OC)c1 ZINC000012218376 523615319 /nfs/dbraw/zinc/61/53/19/523615319.db2.gz SUQXEWIQTSIIOB-UHFFFAOYSA-N 0 0 427.541 5.085 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)C(C)C)cc1 ZINC000036031707 523616049 /nfs/dbraw/zinc/61/60/49/523616049.db2.gz NOLBQQZWUHNXNA-UHFFFAOYSA-N 0 0 430.957 5.435 50 0 IKAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)o1 ZINC000012199055 523620670 /nfs/dbraw/zinc/62/06/70/523620670.db2.gz KYABISLEIWQPRV-UHFFFAOYSA-N 0 0 438.911 5.100 50 0 IKAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000023200035 523627070 /nfs/dbraw/zinc/62/70/70/523627070.db2.gz SOCDUYPKLNLJCI-OAQYLSRUSA-N 0 0 430.291 5.006 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cc1OC ZINC000012836709 523635435 /nfs/dbraw/zinc/63/54/35/523635435.db2.gz RTVSMBHAJQVXDN-OAQYLSRUSA-N 0 0 447.506 5.245 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3F)C2)c2ccccc12 ZINC000012797097 523636045 /nfs/dbraw/zinc/63/60/45/523636045.db2.gz HRNKJOSWCHMQCW-OAHLLOKOSA-N 0 0 440.902 5.132 50 0 IKAARN CCn1nc(C)c(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3cc(C)ccc32)c1C ZINC000012184355 523642631 /nfs/dbraw/zinc/64/26/31/523642631.db2.gz QYXQQCOWFQOTCH-DEOSSOPVSA-N 0 0 435.593 5.801 50 0 IKAARN CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCc3cccs3)cc21 ZINC000020180366 523674628 /nfs/dbraw/zinc/67/46/28/523674628.db2.gz IHAPYUBCSBLESE-NDENLUEZSA-N 0 0 440.977 5.441 50 0 IKAARN CCn1ncc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4C)c3n2)c1C ZINC000020605594 523685519 /nfs/dbraw/zinc/68/55/19/523685519.db2.gz LYCQDURKMPWZSU-UHFFFAOYSA-N 0 0 441.507 5.190 50 0 IKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000036729585 523699236 /nfs/dbraw/zinc/69/92/36/523699236.db2.gz ODCWZCOUIQREDQ-UHFFFAOYSA-N 0 0 442.928 5.103 50 0 IKAARN CCc1c(C(=O)Nc2ccc(CC)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639817 523702038 /nfs/dbraw/zinc/70/20/38/523702038.db2.gz LWXAKRZQTCZLKO-UHFFFAOYSA-N 0 0 437.503 5.453 50 0 IKAARN CCc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639812 523704517 /nfs/dbraw/zinc/70/45/17/523704517.db2.gz BCWYSRJWFIDOTL-UHFFFAOYSA-N 0 0 443.894 5.544 50 0 IKAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 ZINC000035889739 523709836 /nfs/dbraw/zinc/70/98/36/523709836.db2.gz VMXFTNVGASXDDC-RUZDIDTESA-N 0 0 442.607 5.165 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)cc(C)c1)[C@H]2c1ccc(OC)cc1 ZINC000021048203 523717878 /nfs/dbraw/zinc/71/78/78/523717878.db2.gz RPOTYMNWVCQMGR-DEOSSOPVSA-N 0 0 434.605 6.424 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(OC)cc1 ZINC000021048375 523717891 /nfs/dbraw/zinc/71/78/91/523717891.db2.gz SPNITVKJXQMSQA-QHCPKHFHSA-N 0 0 438.568 5.624 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(OC)cc1 ZINC000021048369 523717938 /nfs/dbraw/zinc/71/79/38/523717938.db2.gz SPNITVKJXQMSQA-HSZRJFAPSA-N 0 0 438.568 5.624 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(SC)c1)[C@@H]2c1ccc(F)cc1 ZINC000021049050 523718250 /nfs/dbraw/zinc/71/82/50/523718250.db2.gz KMUMTZIYMMLUFL-JOCHJYFZSA-N 0 0 440.609 6.660 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(OC)ccc1OC)[C@H]2c1ccccc1 ZINC000021047945 523718301 /nfs/dbraw/zinc/71/83/01/523718301.db2.gz FADJFLSZEWDFTJ-QHCPKHFHSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1cccc(SC)c1)[C@@H]2c1ccccc1 ZINC000021045559 523718644 /nfs/dbraw/zinc/71/86/44/523718644.db2.gz LYYQJAAZINKSDN-XMMPIXPASA-N 0 0 436.646 5.927 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1OC)[C@@H]2c1ccc(OC)cc1 ZINC000021048172 523719082 /nfs/dbraw/zinc/71/90/82/523719082.db2.gz ABABBEPSSYGDOB-HSZRJFAPSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1cccc(OC)c1)[C@@H]2c1ccc(F)cc1 ZINC000021049038 523719218 /nfs/dbraw/zinc/71/92/18/523719218.db2.gz JVYIKDIFFXUGOI-HSZRJFAPSA-N 0 0 438.568 5.624 50 0 IKAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000041097952 523736455 /nfs/dbraw/zinc/73/64/55/523736455.db2.gz QNAWJLRRCCTERC-OAQYLSRUSA-N 0 0 433.895 5.112 50 0 IKAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)C1CCCC1 ZINC000035976963 523737154 /nfs/dbraw/zinc/73/71/54/523737154.db2.gz OIPNXQYHCAZJIP-UHFFFAOYSA-N 0 0 447.579 5.447 50 0 IKAARN COc1ccc(C(=O)Nc2cc(-c3cccc(Br)c3)nn2-c2ccccc2)cc1 ZINC000021944822 523743723 /nfs/dbraw/zinc/74/37/23/523743723.db2.gz SVUFWOUYEGSXQG-UHFFFAOYSA-N 0 0 448.320 5.563 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)ccc2N2CCCN([C@H](C)c3ccccc3)C2=O)cc1 ZINC000034736253 523743780 /nfs/dbraw/zinc/74/37/80/523743780.db2.gz HQIWADUBTLUHJK-HXUWFJFHSA-N 0 0 443.547 5.649 50 0 IKAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cccc(F)c1 ZINC000022064618 523744545 /nfs/dbraw/zinc/74/45/45/523744545.db2.gz FUAGEMAINXHZDR-UHFFFAOYSA-N 0 0 433.266 5.646 50 0 IKAARN CC[C@H](C(=O)N1CCCCCC1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532402 523758497 /nfs/dbraw/zinc/75/84/97/523758497.db2.gz FEPMIRBCJJVCTH-HXUWFJFHSA-N 0 0 426.561 5.216 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(F)c3C)c2)cc1 ZINC000035927608 523759438 /nfs/dbraw/zinc/75/94/38/523759438.db2.gz IWYQJJXMMTWRDY-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@@H](C)C5)cc2)cc1 ZINC000015947856 523773759 /nfs/dbraw/zinc/77/37/59/523773759.db2.gz VAJRHDYJZWCOPC-JLCFBVMHSA-N 0 0 448.544 5.530 50 0 IKAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000015227322 523775893 /nfs/dbraw/zinc/77/58/93/523775893.db2.gz CIHZVFFCLJEGFN-NAKRPHOHSA-N 0 0 434.495 5.601 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccccc2)cc1Cl ZINC000016693342 523781232 /nfs/dbraw/zinc/78/12/32/523781232.db2.gz ALAYIWQOGSDRRU-KAMYIIQDSA-N 0 0 431.875 5.978 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000012881500 523787239 /nfs/dbraw/zinc/78/72/39/523787239.db2.gz ZSVOJSXCOWOHEH-UHFFFAOYSA-N 0 0 428.529 5.728 50 0 IKAARN CCc1cc(N(C)Cc2ccccc2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000036028397 523788513 /nfs/dbraw/zinc/78/85/13/523788513.db2.gz QWDRKHYYUAILMQ-UHFFFAOYSA-N 0 0 446.620 5.108 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1SCc1cc(=O)n2c(C)csc2n1)c1ccccc1 ZINC000020583116 523804587 /nfs/dbraw/zinc/80/45/87/523804587.db2.gz OOAYUPSNUXPSHY-IBGZPJMESA-N 0 0 449.601 5.489 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879764 523830952 /nfs/dbraw/zinc/83/09/52/523830952.db2.gz ICUUWDLFNSCMQL-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888911 523833301 /nfs/dbraw/zinc/83/33/01/523833301.db2.gz VOXLRPZBXDFYMH-AREMUKBSSA-N 0 0 441.506 6.071 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000021536735 523833385 /nfs/dbraw/zinc/83/33/85/523833385.db2.gz JXQHNQGPJIQMHJ-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 ZINC000012568134 523834059 /nfs/dbraw/zinc/83/40/59/523834059.db2.gz OJNMNUYRCCCUCU-MHZLTWQESA-N 0 0 443.591 6.032 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000020579096 523840697 /nfs/dbraw/zinc/84/06/97/523840697.db2.gz YRSKJHMLOYSRGC-UHFFFAOYSA-N 0 0 434.927 5.568 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476915 523843448 /nfs/dbraw/zinc/84/34/48/523843448.db2.gz HKCWDLQTETYBIC-QHCPKHFHSA-N 0 0 428.561 5.863 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476924 523843731 /nfs/dbraw/zinc/84/37/31/523843731.db2.gz ROPIICJPYKNTMH-JOCHJYFZSA-N 0 0 433.602 6.529 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476925 523843745 /nfs/dbraw/zinc/84/37/45/523843745.db2.gz ROPIICJPYKNTMH-QFIPXVFZSA-N 0 0 433.602 6.529 50 0 IKAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(C2CCCCC2)C3=O)s1 ZINC000021526057 523847524 /nfs/dbraw/zinc/84/75/24/523847524.db2.gz UIHUSEJUXYLJRJ-RUZDIDTESA-N 0 0 441.641 5.261 50 0 IKAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000021115083 523848533 /nfs/dbraw/zinc/84/85/33/523848533.db2.gz ISIWNSIHRLSPFG-UHFFFAOYSA-N 0 0 434.487 5.128 50 0 IKAARN CCc1cc2c(ncnc2SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)s1 ZINC000012549926 523851327 /nfs/dbraw/zinc/85/13/27/523851327.db2.gz PFYPRGPMSVPSAP-UHFFFAOYSA-N 0 0 436.587 5.511 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NCc3cnn(CC)c3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000017098276 523853244 /nfs/dbraw/zinc/85/32/44/523853244.db2.gz WIJRKTAWHASVRV-UHFFFAOYSA-N 0 0 432.955 5.572 50 0 IKAARN CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@H]1CCCc2ccccc21 ZINC000027447793 523854207 /nfs/dbraw/zinc/85/42/07/523854207.db2.gz KEASUJKSJQJCJI-NRFANRHFSA-N 0 0 426.969 5.454 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3n[nH]c(-c4ccccc4)n3)n2)cc1 ZINC000012616545 523858000 /nfs/dbraw/zinc/85/80/00/523858000.db2.gz TZAMQGGIFSSCAA-AWEZNQCLSA-N 0 0 435.578 5.277 50 0 IKAARN CCc1ccc(-c2nc(CSc3nnc(NCc4ccc(F)cc4)s3)cs2)cc1 ZINC000023908448 523861607 /nfs/dbraw/zinc/86/16/07/523861607.db2.gz UPKFRHITKORQSK-UHFFFAOYSA-N 0 0 442.610 6.268 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000020943308 523866995 /nfs/dbraw/zinc/86/69/95/523866995.db2.gz XKSNONCZSGTMEI-UHFFFAOYSA-N 0 0 434.927 5.514 50 0 IKAARN COc1ccc(C2=NC[C@H](CSc3ncnc4sc5c(c43)CCCC5)S2)cc1 ZINC000012531789 523875625 /nfs/dbraw/zinc/87/56/25/523875625.db2.gz MRQNTUHILCKISK-OAHLLOKOSA-N 0 0 427.620 5.233 50 0 IKAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2Cl)cc1 ZINC000002955542 523877405 /nfs/dbraw/zinc/87/74/05/523877405.db2.gz IGTMYHISTMJJGO-FVDSYPCUSA-N 0 0 447.922 5.329 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(C)cc2)cc1 ZINC000033931086 523877715 /nfs/dbraw/zinc/87/77/15/523877715.db2.gz NAAKUXWEAANKQZ-UPVQGACJSA-N 0 0 439.342 6.553 50 0 IKAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000036014553 523879678 /nfs/dbraw/zinc/87/96/78/523879678.db2.gz VYWRLKFFOKATHS-OAQYLSRUSA-N 0 0 428.960 5.307 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033034808 523884983 /nfs/dbraw/zinc/88/49/83/523884983.db2.gz DFLBVTBGEKEPOW-VWLOTQADSA-N 0 0 432.608 5.721 50 0 IKAARN COc1ccc(CC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)cc1 ZINC000012654529 523889403 /nfs/dbraw/zinc/88/94/03/523889403.db2.gz JPAOCHJTEQCQGB-UHFFFAOYSA-N 0 0 439.943 5.303 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(OC)cc3)c2)cc1 ZINC000035912338 523895929 /nfs/dbraw/zinc/89/59/29/523895929.db2.gz JYATZVSFPZMFFX-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)c(C)c3)c2)cc1 ZINC000035910836 523896108 /nfs/dbraw/zinc/89/61/08/523896108.db2.gz LIXSKZYLXDJUJO-SANMLTNESA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)cc1 ZINC000035928532 523896165 /nfs/dbraw/zinc/89/61/65/523896165.db2.gz AVCCRGPUULYMGX-AREMUKBSSA-N 0 0 445.588 5.346 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)cc1 ZINC000035928533 523896267 /nfs/dbraw/zinc/89/62/67/523896267.db2.gz AVCCRGPUULYMGX-SANMLTNESA-N 0 0 445.588 5.346 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(OC)cc3)cc2)cc1 ZINC000035910941 523896399 /nfs/dbraw/zinc/89/63/99/523896399.db2.gz CLJYECOMUKYTLF-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cc(F)ccc3F)cc2)cc1 ZINC000035925254 523896588 /nfs/dbraw/zinc/89/65/88/523896588.db2.gz NOINVJCQQZCHTH-DEOSSOPVSA-N 0 0 438.499 5.558 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(C)c3C)cc2)cc1 ZINC000035927177 523896612 /nfs/dbraw/zinc/89/66/12/523896612.db2.gz AJDSLHVFENBMKD-AREMUKBSSA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)cc1 ZINC000035928636 523896730 /nfs/dbraw/zinc/89/67/30/523896730.db2.gz UVMQYFYAMGCIJE-RUZDIDTESA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000035928250 523897310 /nfs/dbraw/zinc/89/73/10/523897310.db2.gz UVMAPRWXZBSHHQ-XMMPIXPASA-N 0 0 438.499 5.558 50 0 IKAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000012780577 523898866 /nfs/dbraw/zinc/89/88/66/523898866.db2.gz DWDRXCPZZYKJTK-SFHVURJKSA-N 0 0 428.561 5.314 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768394 523899317 /nfs/dbraw/zinc/89/93/17/523899317.db2.gz ABAJUKRDDVKENN-XMMPIXPASA-N 0 0 448.513 5.252 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Cl)c1 ZINC000035768359 523899834 /nfs/dbraw/zinc/89/98/34/523899834.db2.gz ILICROJVLZXSDO-DEOSSOPVSA-N 0 0 446.978 5.628 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000035372093 523900091 /nfs/dbraw/zinc/90/00/91/523900091.db2.gz NVBNHHRGWKFILZ-DEOSSOPVSA-N 0 0 428.532 5.255 50 0 IKAARN CC[C@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1F ZINC000035972126 523940157 /nfs/dbraw/zinc/94/01/57/523940157.db2.gz OWZZIGFASRTXOD-IBGZPJMESA-N 0 0 436.575 5.642 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1ccccc1 ZINC000035970724 523941139 /nfs/dbraw/zinc/94/11/39/523941139.db2.gz OIBGYBYBKNOTGG-NRFANRHFSA-N 0 0 439.559 6.414 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035943882 523941652 /nfs/dbraw/zinc/94/16/52/523941652.db2.gz BQWYLBIEVRSPKN-KRWDZBQOSA-N 0 0 442.003 5.586 50 0 IKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(Cl)cc1OC ZINC000020212683 523943879 /nfs/dbraw/zinc/94/38/79/523943879.db2.gz WAFPMQZHKQUIGY-INIZCTEOSA-N 0 0 430.017 6.321 50 0 IKAARN CN(C(=O)c1ccccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000012904641 523947334 /nfs/dbraw/zinc/94/73/34/523947334.db2.gz OFGGBQJCSPNJLH-UHFFFAOYSA-N 0 0 446.503 5.583 50 0 IKAARN COc1ccc(CCNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1OC ZINC000012635726 523954085 /nfs/dbraw/zinc/95/40/85/523954085.db2.gz CRAQZMVDMQJTMZ-RJAVSUSUSA-N 0 0 447.619 5.518 50 0 IKAARN COc1ccc(CCNC(=O)C[C@@H](c2c[nH]c3ccccc32)c2cccc(F)c2)cc1OC ZINC000035888607 523959837 /nfs/dbraw/zinc/95/98/37/523959837.db2.gz QMYJPEGBDMMVLB-JOCHJYFZSA-N 0 0 446.522 5.205 50 0 IKAARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2O[C@@H](CC)C1=O ZINC000035873723 523961403 /nfs/dbraw/zinc/96/14/03/523961403.db2.gz JAJABULBUGRUER-DJJJIMSYSA-N 0 0 435.351 5.544 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000035912412 523961496 /nfs/dbraw/zinc/96/14/96/523961496.db2.gz XUOIYSFOJOUDBN-XMMPIXPASA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@@H](CC)c3ccccc3)cc2)cc1 ZINC000035912419 523961725 /nfs/dbraw/zinc/96/17/25/523961725.db2.gz DXWQVPMBEQNACV-IGKIAQTJSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)[C@H](CC)c3ccccc3)cc2)cc1 ZINC000035912421 523962332 /nfs/dbraw/zinc/96/23/32/523962332.db2.gz DXWQVPMBEQNACV-SQHAQQRYSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000035912439 523962360 /nfs/dbraw/zinc/96/23/60/523962360.db2.gz GUUYSNCQXSBXCC-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN CN(C(=O)c1csc(-c2ccccc2OCc2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000034723214 523962838 /nfs/dbraw/zinc/96/28/38/523962838.db2.gz SDDMPZZAYPDPJX-UHFFFAOYSA-N 0 0 436.483 5.944 50 0 IKAARN CN(C(=O)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1)c1ccccc1 ZINC000034717431 523963371 /nfs/dbraw/zinc/96/33/71/523963371.db2.gz XQWUJQKZAJHIOL-UHFFFAOYSA-N 0 0 436.483 5.944 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526470 523963819 /nfs/dbraw/zinc/96/38/19/523963819.db2.gz KLDVKPFPKZSVSS-SANMLTNESA-N 0 0 433.552 5.055 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021808216 523963985 /nfs/dbraw/zinc/96/39/85/523963985.db2.gz WHZOAYRILYQFQZ-RUZDIDTESA-N 0 0 435.593 5.133 50 0 IKAARN CC[C@H](C)NC(=O)CCN(CC(C)C)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008182 523964273 /nfs/dbraw/zinc/96/42/73/523964273.db2.gz LAWPZNQAWWHQNM-SFHVURJKSA-N 0 0 439.003 5.717 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)cc1OC ZINC000023335365 523969085 /nfs/dbraw/zinc/96/90/85/523969085.db2.gz WHVGEKSIWSXAJE-UHFFFAOYSA-N 0 0 435.467 5.424 50 0 biogenic IKAARN CCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000020890295 523974354 /nfs/dbraw/zinc/97/43/54/523974354.db2.gz AXMHRZGPXJXFFO-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN CCc1ccc(NC(=O)N2CCC3(CC2)c2cccn2-c2ccc(C)cc2N3CC)cc1 ZINC000021100948 523979318 /nfs/dbraw/zinc/97/93/18/523979318.db2.gz FZNZVAAALUWTRC-UHFFFAOYSA-N 0 0 428.580 5.711 50 0 biogenic IKAARN CCc1ccc(NC(=O)N2CCN(c3nc(CC)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000035867204 523981412 /nfs/dbraw/zinc/98/14/12/523981412.db2.gz LXZNKGKGNGMZPA-UHFFFAOYSA-N 0 0 449.624 5.049 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000015724864 523982761 /nfs/dbraw/zinc/98/27/61/523982761.db2.gz JORSOQWWWQXSNC-AREMUKBSSA-N 0 0 425.532 5.919 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000021892010 523983415 /nfs/dbraw/zinc/98/34/15/523983415.db2.gz ZLCOLNNCOHEUDZ-HHHXNRCGSA-N 0 0 437.543 6.185 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000021893554 523983845 /nfs/dbraw/zinc/98/38/45/523983845.db2.gz RFTCEEMCBBHPQG-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1 ZINC000033009394 523986875 /nfs/dbraw/zinc/98/68/75/523986875.db2.gz YHTNGCPWZKZOAR-UHFFFAOYSA-N 0 0 428.536 5.746 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000012623635 523987500 /nfs/dbraw/zinc/98/75/00/523987500.db2.gz XOVVONPDTGRRNL-QGZVFWFLSA-N 0 0 437.923 5.665 50 0 IKAARN COc1ccc(CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CCCC2)cc1OC(C)C ZINC000012325806 523991032 /nfs/dbraw/zinc/99/10/32/523991032.db2.gz CLBKSJPJEADAFY-UHFFFAOYSA-N 0 0 435.486 6.086 50 0 IKAARN CCc1ccc(NC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)cc1 ZINC000033264763 523992029 /nfs/dbraw/zinc/99/20/29/523992029.db2.gz NCLJSDLHBFISPO-UHFFFAOYSA-N 0 0 426.520 5.121 50 0 IKAARN CCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1 ZINC000012250491 523992959 /nfs/dbraw/zinc/99/29/59/523992959.db2.gz CSMNJNYVICORMZ-UHFFFAOYSA-N 0 0 427.573 6.239 50 0 IKAARN CCc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000021659341 523994128 /nfs/dbraw/zinc/99/41/28/523994128.db2.gz FRRILCCIRXGBBJ-UHFFFAOYSA-N 0 0 438.531 5.432 50 0 IKAARN CN1CCc2c(sc3nc(SCc4ccccc4)n(C4CCCCC4)c(=O)c32)C1 ZINC000020827401 523995144 /nfs/dbraw/zinc/99/51/44/523995144.db2.gz GKEPUFQROPLXEV-UHFFFAOYSA-N 0 0 425.623 5.243 50 0 IKAARN CC[C@H](C)NC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417962 524002557 /nfs/dbraw/zinc/00/25/57/524002557.db2.gz MAUJDWRYQPULAU-RKNYENMMSA-N 0 0 425.912 5.804 50 0 IKAARN CCc1ccc(OCc2nc(CC(=O)Nc3nc(-c4ccc(C)cc4)cs3)cs2)cc1 ZINC000015835197 524008048 /nfs/dbraw/zinc/00/80/48/524008048.db2.gz ZQDGUFVFYFVBFI-UHFFFAOYSA-N 0 0 449.601 5.898 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2[C@@H](C)c2ccccc2)cc1 ZINC000012598764 524008182 /nfs/dbraw/zinc/00/81/82/524008182.db2.gz LOHUTKSMHQHTMV-SFHVURJKSA-N 0 0 437.609 5.736 50 0 IKAARN CCc1ccc(OCc2nc(CC(=O)Nc3nc4ccc(OC)cc4s3)cs2)cc1 ZINC000033011783 524008188 /nfs/dbraw/zinc/00/81/88/524008188.db2.gz SKLGTDFDYHIGFC-UHFFFAOYSA-N 0 0 439.562 5.084 50 0 IKAARN CCc1ccc(OCc2nnc(S[C@H]3CCCCC3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC000013121235 524008257 /nfs/dbraw/zinc/00/82/57/524008257.db2.gz FCDYBSRFBNFXOQ-MBSDFSHPSA-N 0 0 435.593 5.633 50 0 IKAARN CCc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022642481 524011671 /nfs/dbraw/zinc/01/16/71/524011671.db2.gz MTWTXANBEOVPKY-UHFFFAOYSA-N 0 0 425.516 5.301 50 0 IKAARN CN(C)C(=O)[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1 ZINC000012556887 524014749 /nfs/dbraw/zinc/01/47/49/524014749.db2.gz SUMOSFWROKDOCT-LJQANCHMSA-N 0 0 425.604 5.788 50 0 IKAARN COc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000012149678 524014897 /nfs/dbraw/zinc/01/48/97/524014897.db2.gz MHMYPVZHOFYRED-UHFFFAOYSA-N 0 0 438.527 5.608 50 0 IKAARN CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccc3c(c2)oc2ccccc23)C1=O ZINC000012416885 524037173 /nfs/dbraw/zinc/03/71/73/524037173.db2.gz GCPZTOAYQRIONH-MUUNZHRXSA-N 0 0 445.478 5.488 50 0 IKAARN CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 ZINC000012848492 524039554 /nfs/dbraw/zinc/03/95/54/524039554.db2.gz CSLZLCJYCQWQSN-SFTDATJTSA-N 0 0 442.485 5.921 50 0 IKAARN CCc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000020868204 524040803 /nfs/dbraw/zinc/04/08/03/524040803.db2.gz ADIGHJZRIAVIRK-RUZDIDTESA-N 0 0 427.504 5.300 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(F)cc2)cc1 ZINC000021893155 524041109 /nfs/dbraw/zinc/04/11/09/524041109.db2.gz RGOSVYYQDFAGOM-HHHXNRCGSA-N 0 0 439.534 5.994 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021536681 524041128 /nfs/dbraw/zinc/04/11/28/524041128.db2.gz FZVDMLBFKBCTOV-AREMUKBSSA-N 0 0 425.507 6.316 50 0 IKAARN COc1ccc(CNC(=O)C[C@H]2c3ccccc3Sc3ccc(Cl)cc32)cc1OC 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LRDTZAVQKFPDQI-UHFFFAOYSA-N 0 0 431.517 5.193 50 0 IKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4C)c3c2c1 ZINC000020996455 524061066 /nfs/dbraw/zinc/06/10/66/524061066.db2.gz NVXGQFFXRKCNLJ-UHFFFAOYSA-N 0 0 434.543 6.069 50 0 IKAARN CCc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2CC)c1 ZINC000020616973 524061701 /nfs/dbraw/zinc/06/17/01/524061701.db2.gz XYUDKMOLNLCUJE-OHYPFYFLSA-N 0 0 441.531 5.238 50 0 IKAARN CCc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)c1 ZINC000020848745 524061953 /nfs/dbraw/zinc/06/19/53/524061953.db2.gz OXAWUOKZPDRJNR-UHFFFAOYSA-N 0 0 446.580 5.206 50 0 IKAARN CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(OC)c(OC)c2)CCC(C)CC1 ZINC000035622789 524062101 /nfs/dbraw/zinc/06/21/01/524062101.db2.gz JBBJGFLPTCNOFO-UHFFFAOYSA-N 0 0 435.572 5.068 50 0 IKAARN CCc1cccc(C)c1NC(=O)Cn1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532388 524064024 /nfs/dbraw/zinc/06/40/24/524064024.db2.gz YRZNFURJTLHQNZ-UHFFFAOYSA-N 0 0 434.540 5.372 50 0 IKAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000020904322 524064783 /nfs/dbraw/zinc/06/47/83/524064783.db2.gz XZVLZORVPNJPLM-ZEQRLZLVSA-N 0 0 448.588 5.010 50 0 IKAARN CCc1cccc(C)c1NC(=O)Nc1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CS2 ZINC000020385684 524065205 /nfs/dbraw/zinc/06/52/05/524065205.db2.gz APVACAVSEPJINX-UHFFFAOYSA-N 0 0 445.588 6.149 50 0 IKAARN COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021658281 524065342 /nfs/dbraw/zinc/06/53/42/524065342.db2.gz AAXFATCFHDGVPG-UHFFFAOYSA-N 0 0 447.922 5.321 50 0 IKAARN COc1ccc(CNC(=O)c2cc(OCc3ccc(C)cc3)nc3ccccc32)c(OC)c1 ZINC000021094460 524065708 /nfs/dbraw/zinc/06/57/08/524065708.db2.gz JVAQJWXOBXBJBE-UHFFFAOYSA-N 0 0 442.515 5.069 50 0 IKAARN CCc1cccc(C)c1NC(=S)N1CCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020662441 524066279 /nfs/dbraw/zinc/06/62/79/524066279.db2.gz PODHYBQPVCSQOT-DEOSSOPVSA-N 0 0 435.593 5.178 50 0 IKAARN CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2\N=C(c3ccccc3)OC2=O)cs1 ZINC000012933191 524067277 /nfs/dbraw/zinc/06/72/77/524067277.db2.gz UQAKBGRDIMIFCD-STZFKDTASA-N 0 0 445.544 5.297 50 0 IKAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020605415 524067294 /nfs/dbraw/zinc/06/72/94/524067294.db2.gz KBXDUNPVFRZOJX-UHFFFAOYSA-N 0 0 433.499 5.747 50 0 IKAARN CCc1cccc(CC)c1-n1c(SCc2nnsc2Cl)nnc1-c1cccnc1 ZINC000012526809 524067417 /nfs/dbraw/zinc/06/74/17/524067417.db2.gz JXDUOIWVTFPMJO-UHFFFAOYSA-N 0 0 443.001 5.251 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)[C@@H](CC)c3ccccc3)c2)c1 ZINC000035928774 524071400 /nfs/dbraw/zinc/07/14/00/524071400.db2.gz QVGHKYPBFWMPRT-RPLLCQBOSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(OC)cc3)cc2)c1 ZINC000035928705 524071561 /nfs/dbraw/zinc/07/15/61/524071561.db2.gz NVLNULZNBJPGFF-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c1 ZINC000035928762 524071564 /nfs/dbraw/zinc/07/15/64/524071564.db2.gz AJWYDHAWTZHKRZ-AREMUKBSSA-N 0 0 430.573 5.599 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3)nc2c1 ZINC000002985298 524085871 /nfs/dbraw/zinc/08/58/71/524085871.db2.gz ICGVQSMBRMNPFS-UHFFFAOYSA-N 0 0 445.544 5.717 50 0 IKAARN COc1cccc([C@@H](C)N(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036034073 524087156 /nfs/dbraw/zinc/08/71/56/524087156.db2.gz JODNYBZFZJRZEX-QGZVFWFLSA-N 0 0 429.513 5.108 50 0 IKAARN COc1cccc([C@@H](C)N(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036034110 524088288 /nfs/dbraw/zinc/08/82/88/524088288.db2.gz TXEBTUUJYAKVPJ-QGZVFWFLSA-N 0 0 445.968 5.622 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 ZINC000013145840 524088522 /nfs/dbraw/zinc/08/85/22/524088522.db2.gz IUKLVEXLSTZUQX-DLBZAZTESA-N 0 0 427.595 5.166 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000012771363 524089175 /nfs/dbraw/zinc/08/91/75/524089175.db2.gz QNUNDINEVWGDKY-LJQANCHMSA-N 0 0 428.561 5.369 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4c(C)cc(C)cc4C)n3)nc2c1 ZINC000021721605 524096701 /nfs/dbraw/zinc/09/67/01/524096701.db2.gz HPFFMWGDTYJJJO-UHFFFAOYSA-N 0 0 436.537 5.308 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc(F)c(Cl)c4)n3)nc2c1 ZINC000021721434 524097256 /nfs/dbraw/zinc/09/72/56/524097256.db2.gz YCNMVTGZTHLPTB-UHFFFAOYSA-N 0 0 446.891 5.175 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c3cc(Br)ccc3n2)c1 ZINC000018097800 524105711 /nfs/dbraw/zinc/10/57/11/524105711.db2.gz XBZWAKYXXDLULX-CALCHBBNSA-N 0 0 437.381 6.091 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c3cc(Br)ccc3n2)c1 ZINC000018045270 524105804 /nfs/dbraw/zinc/10/58/04/524105804.db2.gz PCMGKSSLHNILFN-IYBDPMFKSA-N 0 0 439.353 5.222 50 0 IKAARN COc1ccc(CNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012419647 524106896 /nfs/dbraw/zinc/10/68/96/524106896.db2.gz PBYUIPOJJGLVJA-UHFFFAOYSA-N 0 0 440.546 5.165 50 0 IKAARN COc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012419515 524108101 /nfs/dbraw/zinc/10/81/01/524108101.db2.gz MWKURUSKXYSFMI-UHFFFAOYSA-N 0 0 444.896 5.042 50 0 IKAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccc(C(C)C)cc4)C3)nn2)c1 ZINC000035398321 524109584 /nfs/dbraw/zinc/10/95/84/524109584.db2.gz GDNTVGDMIBOBDV-XMMPIXPASA-N 0 0 428.580 5.108 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 ZINC000012760930 524114332 /nfs/dbraw/zinc/11/43/32/524114332.db2.gz WQOVVMZNYVOBKT-UHFFFAOYSA-N 0 0 435.380 5.272 50 0 IKAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)c1 ZINC000021728778 524114414 /nfs/dbraw/zinc/11/44/14/524114414.db2.gz GOVFAYUEPMLQIQ-NRFANRHFSA-N 0 0 429.907 5.675 50 0 IKAARN Cc1cccc(-c2nc(C)c(Cc3ccccc3)c(N3CCN(C(=O)CC(C)C)CC3)n2)c1 ZINC000035889886 524118165 /nfs/dbraw/zinc/11/81/65/524118165.db2.gz DLHQICCHXQHQSJ-UHFFFAOYSA-N 0 0 442.607 5.046 50 0 IKAARN Cc1ccc(C)c(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c1 ZINC000009663790 524119053 /nfs/dbraw/zinc/11/90/53/524119053.db2.gz CWTIYUNXNVLMOF-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN C[C@@H](C(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(-c2ccccc2)c(F)c1 ZINC000012390385 524119351 /nfs/dbraw/zinc/11/93/51/524119351.db2.gz ZINZFFJYSLIRTO-NQIIRXRSSA-N 0 0 428.511 5.045 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000015675473 524120120 /nfs/dbraw/zinc/12/01/20/524120120.db2.gz TXMIGKXGVMHTJK-MHZLTWQESA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988718 524122751 /nfs/dbraw/zinc/12/27/51/524122751.db2.gz OZIMFIORGKERBV-HXUWFJFHSA-N 0 0 428.580 5.712 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccc(Br)cc3)n2-c2ccccc2)c1 ZINC000035847463 524125158 /nfs/dbraw/zinc/12/51/58/524125158.db2.gz AFZMWEQOXLWQMK-UHFFFAOYSA-N 0 0 436.378 6.298 50 0 IKAARN COc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)cc1F ZINC000012634843 524127047 /nfs/dbraw/zinc/12/70/47/524127047.db2.gz ZPHBYMXXRUJOEI-UHFFFAOYSA-N 0 0 440.565 5.563 50 0 IKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)c1 ZINC000012600848 524127972 /nfs/dbraw/zinc/12/79/72/524127972.db2.gz AQHKIHRFLKSRRK-UONOGXRCSA-N 0 0 438.578 6.135 50 0 IKAARN Cc1ccc(C)c(N2CCN([C@@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)c1 ZINC000020988693 524128067 /nfs/dbraw/zinc/12/80/67/524128067.db2.gz ZIGQGNLCQOKZGV-RUZDIDTESA-N 0 0 442.538 5.404 50 0 IKAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035911014 524128458 /nfs/dbraw/zinc/12/84/58/524128458.db2.gz DKFGBYQDRKZQIL-UHFFFAOYSA-N 0 0 443.355 5.993 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021162523 524134204 /nfs/dbraw/zinc/13/42/04/524134204.db2.gz JOFZLRQFZVDRKO-XXBNENTESA-N 0 0 448.586 5.135 50 0 IKAARN Cc1cccc(-c2noc(CSc3nc4cc(-c5ccccc5)sc4c(=O)n3C)n2)c1 ZINC000023127077 524134386 /nfs/dbraw/zinc/13/43/86/524134386.db2.gz QYOHHUHGCYQASW-UHFFFAOYSA-N 0 0 446.557 5.313 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)oc2C)c1OC ZINC000012746565 524135362 /nfs/dbraw/zinc/13/53/62/524135362.db2.gz UNXMTJPLPZJUQA-XMMPIXPASA-N 0 0 430.504 5.183 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000021888544 524135853 /nfs/dbraw/zinc/13/58/53/524135853.db2.gz KJDPPKUEIAPNIL-XMMPIXPASA-N 0 0 433.458 5.634 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)c(F)c2)c1OC ZINC000012587491 524136852 /nfs/dbraw/zinc/13/68/52/524136852.db2.gz ODARDBBKMUCNHY-XMMPIXPASA-N 0 0 448.469 5.251 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 ZINC000023127019 524137077 /nfs/dbraw/zinc/13/70/77/524137077.db2.gz GLUZAJKTNZYRHN-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN Cc1cccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2-c2ccccc2F)c1 ZINC000035848754 524139629 /nfs/dbraw/zinc/13/96/29/524139629.db2.gz WOLJDRHLBKTEHB-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN COc1ccc(C[C@@H](NC(=O)c2ccccc2Br)c2ccc(OC)cc2)cc1 ZINC000012696301 524140488 /nfs/dbraw/zinc/14/04/88/524140488.db2.gz GBJWCTLFBKNKCW-JOCHJYFZSA-N 0 0 440.337 5.180 50 0 IKAARN Cc1cccc(-n2nc3nc(NCc4cccc(F)c4)nc(-c4ccc(F)cc4)c3c2N)c1 ZINC000035930167 524146107 /nfs/dbraw/zinc/14/61/07/524146107.db2.gz MWPKVZNKGZSTNY-UHFFFAOYSA-N 0 0 442.473 5.263 50 0 IKAARN COc1cccc([C@H](CC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)c1OC ZINC000035910712 524159063 /nfs/dbraw/zinc/15/90/63/524159063.db2.gz VCGPHEQQKXSIQH-NRFANRHFSA-N 0 0 432.495 5.163 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033272046 524167268 /nfs/dbraw/zinc/16/72/68/524167268.db2.gz STZKYAQIWJACMK-UHFFFAOYSA-N 0 0 446.450 5.072 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)c3ccco3)ccc2N(C)C)[C@H](C)C(C)C)c1 ZINC000035946251 524167550 /nfs/dbraw/zinc/16/75/50/524167550.db2.gz GKFLOSVKNZUMRH-HXUWFJFHSA-N 0 0 447.579 5.593 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1C1CCCCCC1 ZINC000021809385 524170776 /nfs/dbraw/zinc/17/07/76/524170776.db2.gz KERICWJOCQWXKL-RAWGQGSESA-N 0 0 441.641 5.335 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1OC ZINC000012196340 524187193 /nfs/dbraw/zinc/18/71/93/524187193.db2.gz OVQJWZVQCJAZKM-HTAPYJJXSA-N 0 0 426.925 5.661 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)oc2C)c1OC ZINC000012746558 524188348 /nfs/dbraw/zinc/18/83/48/524188348.db2.gz UNXMTJPLPZJUQA-DEOSSOPVSA-N 0 0 430.504 5.183 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 ZINC000012225681 524199428 /nfs/dbraw/zinc/19/94/28/524199428.db2.gz AXVDJUSRCJVHBB-UHFFFAOYSA-N 0 0 426.904 5.230 50 0 IKAARN Cc1cc(C(F)(F)F)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000001051085 524205457 /nfs/dbraw/zinc/20/54/57/524205457.db2.gz XUAQPOJQUNEQSX-UHFFFAOYSA-N 0 0 433.480 5.725 50 0 IKAARN Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(Cc2ccco2)C3=O)c(O)c1 ZINC000020868211 524210338 /nfs/dbraw/zinc/21/03/38/524210338.db2.gz NLJXSUCFZCKKFB-HSZRJFAPSA-N 0 0 433.895 5.391 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c(C)c1 ZINC000012745150 524212222 /nfs/dbraw/zinc/21/22/22/524212222.db2.gz DKPFQOOIWAMYQM-UHFFFAOYSA-N 0 0 426.585 6.896 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000033009173 524218301 /nfs/dbraw/zinc/21/83/01/524218301.db2.gz OIDXXYNOLQPHRF-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2)c1 ZINC000012466589 524218736 /nfs/dbraw/zinc/21/87/36/524218736.db2.gz IIUGQUAHMQAINM-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000021708639 524219790 /nfs/dbraw/zinc/21/97/90/524219790.db2.gz UQSIRECSRYTSBI-UHFFFAOYSA-N 0 0 438.575 5.412 50 0 IKAARN Cc1cccc(C(=O)Nc2ccccc2N2CCCN(Cc3cc(F)ccc3F)C2=O)c1 ZINC000034735223 524220061 /nfs/dbraw/zinc/22/00/61/524220061.db2.gz YPKOJSYPHLDGMR-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1C ZINC000012868776 524220337 /nfs/dbraw/zinc/22/03/37/524220337.db2.gz YBWCZQDUNGDCQH-PMERELPUSA-N 0 0 449.550 5.772 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CSC(=S)N3CCCC3)[C@@H](c3ccccc3)C2)cc1C ZINC000035920426 524231970 /nfs/dbraw/zinc/23/19/70/524231970.db2.gz NTHVFJGJGXMHQA-JOCHJYFZSA-N 0 0 437.634 5.095 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021944612 524233951 /nfs/dbraw/zinc/23/39/51/524233951.db2.gz DSHLBJDQFNZUCR-UHFFFAOYSA-N 0 0 440.906 5.227 50 0 biogenic IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CC(C)C)C2)cc1 ZINC000035835186 524234576 /nfs/dbraw/zinc/23/45/76/524234576.db2.gz VCFKYFAZOQJVQR-NRFANRHFSA-N 0 0 432.486 5.582 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037024 524235373 /nfs/dbraw/zinc/23/53/73/524235373.db2.gz MPQGUFFCUIJKME-HXUWFJFHSA-N 0 0 434.883 5.310 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccs3)C2)cc1 ZINC000035835212 524235381 /nfs/dbraw/zinc/23/53/81/524235381.db2.gz BGYIBBXGJSUMCH-IBGZPJMESA-N 0 0 426.488 5.170 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2 ZINC000035892122 524241245 /nfs/dbraw/zinc/24/12/45/524241245.db2.gz QQISBGPDPHJNRM-AUSIDOKSSA-N 0 0 440.543 5.556 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010740 524242410 /nfs/dbraw/zinc/24/24/10/524242410.db2.gz IIMQWVNHCXYISJ-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010528 524242562 /nfs/dbraw/zinc/24/25/62/524242562.db2.gz JSGYCZMIHPJYFW-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000000641088 524242596 /nfs/dbraw/zinc/24/25/96/524242596.db2.gz HJDLIIWKMQFIFA-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915265 524244447 /nfs/dbraw/zinc/24/44/47/524244447.db2.gz FXNYRXVSRNAKRP-LJQANCHMSA-N 0 0 441.575 5.274 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn21 ZINC000034833277 524244959 /nfs/dbraw/zinc/24/49/59/524244959.db2.gz HACNCFDCNSVGJF-LJQANCHMSA-N 0 0 426.564 5.445 50 0 IKAARN COc1ccc(Cl)cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000020852481 524245130 /nfs/dbraw/zinc/24/51/30/524245130.db2.gz PZIODOMWDGOIBA-HXUWFJFHSA-N 0 0 426.303 6.254 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)Nc4cc(Cl)ccc4OC)n3)oc21 ZINC000022479725 524255754 /nfs/dbraw/zinc/25/57/54/524255754.db2.gz RKHLQEAZLAUFDX-UHFFFAOYSA-N 0 0 429.885 5.871 50 0 IKAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(F)cc3F)oc21 ZINC000012437471 524260050 /nfs/dbraw/zinc/26/00/50/524260050.db2.gz TZDPQRAZAAASSW-RWEWTDSWSA-N 0 0 441.455 5.093 50 0 IKAARN COc1cccc2ccc(/C=C/c3cc(OC)c(OC(C)=O)cc3Br)nc21 ZINC000012379980 524262329 /nfs/dbraw/zinc/26/23/29/524262329.db2.gz OMPDGZYIRLASKB-CSKARUKUSA-N 0 0 428.282 5.110 50 0 IKAARN COc1cccc2ccc(/C=C/c3cc(Br)cc(OC)c3OC(C)=O)nc21 ZINC000012379975 524262678 /nfs/dbraw/zinc/26/26/78/524262678.db2.gz JOBIBVWRUOSQGP-CSKARUKUSA-N 0 0 428.282 5.110 50 0 IKAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(Cl)cc4)c3c2=O)cc1 ZINC000035400616 524264321 /nfs/dbraw/zinc/26/43/21/524264321.db2.gz NBWNBERNMLHTCM-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000020605266 524267169 /nfs/dbraw/zinc/26/71/69/524267169.db2.gz RSMBHSYRHKMCIC-UHFFFAOYSA-N 0 0 431.845 6.136 50 0 IKAARN COc1ccccc1-c1cc(COC(=O)c2ccccc2OCc2ccc(F)cc2)on1 ZINC000014710026 524267987 /nfs/dbraw/zinc/26/79/87/524267987.db2.gz WAJMHRWMGMBEJJ-UHFFFAOYSA-N 0 0 433.435 5.425 50 0 IKAARN COc1ccccc1-c1cc(CN(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)no1 ZINC000036012517 524268333 /nfs/dbraw/zinc/26/83/33/524268333.db2.gz CYKAWTZIAUWKFO-UHFFFAOYSA-N 0 0 430.479 5.640 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc3cc(Cl)ccc3o2)no1 ZINC000021721608 524270187 /nfs/dbraw/zinc/27/01/87/524270187.db2.gz QEZBWOWHWHGQOD-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCCSCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000021360148 524270394 /nfs/dbraw/zinc/27/03/94/524270394.db2.gz JFMLJVGXLQHIJR-FQEVSTJZSA-N 0 0 434.605 5.786 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)CCc3ccccc3)nc2c1 ZINC000034908431 524271542 /nfs/dbraw/zinc/27/15/42/524271542.db2.gz AGSXCMGBGYIEPR-HSZRJFAPSA-N 0 0 426.516 5.800 50 0 IKAARN Cc1cc(C)c(Cn2ccnc2CN(Cc2ccco2)C(=O)c2ccc(F)cc2)c(C)c1 ZINC000035979765 524276126 /nfs/dbraw/zinc/27/61/26/524276126.db2.gz CZKPGNAQYUAAAO-UHFFFAOYSA-N 0 0 431.511 5.431 50 0 IKAARN Cc1cc(C)c(NC(=O)CCCSCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000033047564 524281157 /nfs/dbraw/zinc/28/11/57/524281157.db2.gz ZNRXHMLDCYAFBQ-UHFFFAOYSA-N 0 0 428.642 5.149 50 0 IKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1ccc(Cl)cc1Cl ZINC000034912657 524281728 /nfs/dbraw/zinc/28/17/28/524281728.db2.gz SQOXDTPOCJKAQY-UHFFFAOYSA-N 0 0 426.303 5.877 50 0 IKAARN COc1ccccc1-c1nc2ccccc2n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012381561 524281815 /nfs/dbraw/zinc/28/18/15/524281815.db2.gz BKWZAZNQBQTIDA-UHFFFAOYSA-N 0 0 428.576 7.002 50 0 IKAARN Cc1ccc(CCC(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023453507 524284230 /nfs/dbraw/zinc/28/42/30/524284230.db2.gz NUYQSOIHFWRJSG-UHFFFAOYSA-N 0 0 441.550 5.947 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012598910 524284783 /nfs/dbraw/zinc/28/47/83/524284783.db2.gz UOQOAZDREOLCDO-FCHUYYIVSA-N 0 0 429.564 5.259 50 0 IKAARN Cc1cccc(C)c1NC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000034927423 524286053 /nfs/dbraw/zinc/28/60/53/524286053.db2.gz YYHHDBZACZWRKE-UHFFFAOYSA-N 0 0 429.973 5.061 50 0 IKAARN Cc1cc(C)c(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)c(C)c1 ZINC000035462977 524288808 /nfs/dbraw/zinc/28/88/08/524288808.db2.gz GIVSPCMWJKFLPJ-UHFFFAOYSA-N 0 0 428.561 5.933 50 0 IKAARN COc1ccccc1-c1nnc(S[C@H]2CCCCCC2=O)n1-c1ccc(Cl)cc1 ZINC000012523051 524291300 /nfs/dbraw/zinc/29/13/00/524291300.db2.gz IEMNMUCHYCOVEZ-FQEVSTJZSA-N 0 0 427.957 5.590 50 0 IKAARN COc1ccccc1-c1nnc2sc(-c3cc(-c4cccs4)nc4ccccc43)nn21 ZINC000012409119 524291827 /nfs/dbraw/zinc/29/18/27/524291827.db2.gz AAASYBAHWMOFFK-UHFFFAOYSA-N 0 0 441.541 5.805 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998806 524298015 /nfs/dbraw/zinc/29/80/15/524298015.db2.gz XRQZWTBQERJCEL-UHFFFAOYSA-N 0 0 445.519 5.392 50 0 IKAARN COc1ccccc1-n1c(SC)nc2c(sc(=S)n2-c2ccccc2C)c1=O ZINC000020645055 524300012 /nfs/dbraw/zinc/30/00/12/524300012.db2.gz DZMOSULXJGTNOU-UHFFFAOYSA-N 0 0 427.576 5.006 50 0 IKAARN COc1ccccc1-n1c2nc(-c3ccc(C)s3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020603808 524301240 /nfs/dbraw/zinc/30/12/40/524301240.db2.gz QWLXYBUNIZWUCG-UHFFFAOYSA-N 0 0 449.479 5.508 50 0 IKAARN COc1ccccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1cccs1 ZINC000012536627 524301288 /nfs/dbraw/zinc/30/12/88/524301288.db2.gz DBDZGIORNOCLLA-ZDUSSCGKSA-N 0 0 427.555 5.364 50 0 IKAARN COc1ccccc1-n1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccco1 ZINC000035848056 524302305 /nfs/dbraw/zinc/30/23/05/524302305.db2.gz MXDGYQHNEXCRIR-UHFFFAOYSA-N 0 0 431.439 5.847 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@H]1C ZINC000245253547 524304044 /nfs/dbraw/zinc/30/40/44/524304044.db2.gz HASBTLLFIJYYAW-TYBLODHISA-N 0 0 436.596 5.358 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@@H]1C ZINC000014357035 524305992 /nfs/dbraw/zinc/30/59/92/524305992.db2.gz XQQRZJNAYJNLCY-GUDVDZBRSA-N 0 0 438.593 5.164 50 0 IKAARN Cc1cccc(C)c1OCCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 ZINC000012539315 524310192 /nfs/dbraw/zinc/31/01/92/524310192.db2.gz IICAMCPOKFYCGN-UHFFFAOYSA-N 0 0 431.536 5.378 50 0 IKAARN C[C@H](CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021855756 524311408 /nfs/dbraw/zinc/31/14/08/524311408.db2.gz XKOUSSIHVKLYED-PIIWDFAUSA-N 0 0 443.591 5.108 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)[C@@H]1C ZINC000020735214 524313794 /nfs/dbraw/zinc/31/37/94/524313794.db2.gz PNSVTVRSXPBUIC-JCQUQWPXSA-N 0 0 440.996 5.980 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NC4CCCCCC4)cc3)c2n1 ZINC000020992812 524342694 /nfs/dbraw/zinc/34/26/94/524342694.db2.gz GRQXNDSKCYQQKS-UHFFFAOYSA-N 0 0 441.579 5.340 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000020939375 524347914 /nfs/dbraw/zinc/34/79/14/524347914.db2.gz BFXCKONVXOYHQX-UHFFFAOYSA-N 0 0 446.576 5.712 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)N(C)c1ccccc1)c2NC(=O)c1ccccc1Cl ZINC000012446499 524348033 /nfs/dbraw/zinc/34/80/33/524348033.db2.gz GQXITDINRLBFGF-UHFFFAOYSA-N 0 0 449.963 6.095 50 0 IKAARN Cc1cc(C)c2c(n1)sc1c2ncn(-c2cccc(C(=O)Nc3ccccc3C)c2)c1=O ZINC000021114730 524350062 /nfs/dbraw/zinc/35/00/62/524350062.db2.gz HHUBXWJYIAZIMQ-UHFFFAOYSA-N 0 0 440.528 5.173 50 0 IKAARN Cc1cc(C)c2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc(C)c2c1 ZINC000012650967 524352442 /nfs/dbraw/zinc/35/24/42/524352442.db2.gz NDYBSVGBHIRAEE-HOTGVXAUSA-N 0 0 447.431 6.825 50 0 IKAARN Cc1cc(C)c2nc(S[C@@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)cc(C)c2c1 ZINC000012631200 524352818 /nfs/dbraw/zinc/35/28/18/524352818.db2.gz LKCSGXZPVQFKTG-MUUNZHRXSA-N 0 0 436.580 7.358 50 0 IKAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 ZINC000012603321 524358746 /nfs/dbraw/zinc/35/87/46/524358746.db2.gz UHQIPAMLOZAJTB-UHFFFAOYSA-N 0 0 439.890 5.892 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000012844581 524358898 /nfs/dbraw/zinc/35/88/98/524358898.db2.gz HKYSASGQCBUYAO-BETUJISGSA-N 0 0 427.467 5.183 50 0 IKAARN Cc1cc(C)cc(C(=O)N(C(=O)c2cc(C)cc(C)c2)c2ccc(Br)cn2)c1 ZINC000012651359 524360433 /nfs/dbraw/zinc/36/04/33/524360433.db2.gz HECKUZBPXFLCAK-UHFFFAOYSA-N 0 0 437.337 5.565 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2ccc(NC(C)=O)cc2)cc1 ZINC000012748937 524368165 /nfs/dbraw/zinc/36/81/65/524368165.db2.gz JTNZGCNZMFZIBA-UHFFFAOYSA-N 0 0 426.563 5.041 50 0 IKAARN COc1ccccc1C1=NCC(=O)N(Cc2ccc(F)cc2)c2sc3c(c21)CCCC3 ZINC000021021769 524372211 /nfs/dbraw/zinc/37/22/11/524372211.db2.gz NHEYTWRESPLCOW-UHFFFAOYSA-N 0 0 434.536 5.159 50 0 IKAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)CCC2CCCC2)C1 ZINC000035839282 524374194 /nfs/dbraw/zinc/37/41/94/524374194.db2.gz LFAOTQLFPOTOOH-JOCHJYFZSA-N 0 0 438.543 5.327 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)Cc3cccs3)C2=O)c1 ZINC000034735268 524382605 /nfs/dbraw/zinc/38/26/05/524382605.db2.gz SUVADFHUMZKBEG-UHFFFAOYSA-N 0 0 433.577 5.378 50 0 IKAARN Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)n3c4ccccc4nc32)c1 ZINC000021005937 524384693 /nfs/dbraw/zinc/38/46/93/524384693.db2.gz MPTZNIXTSNCPTM-QFIPXVFZSA-N 0 0 444.922 5.115 50 0 IKAARN Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)n3c4ccccc4nc32)c1 ZINC000021005935 524384902 /nfs/dbraw/zinc/38/49/02/524384902.db2.gz MPTZNIXTSNCPTM-JOCHJYFZSA-N 0 0 444.922 5.115 50 0 IKAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000035912350 524389526 /nfs/dbraw/zinc/38/95/26/524389526.db2.gz QIAGGAHUPXOJJN-QHCPKHFHSA-N 0 0 438.936 5.380 50 0 IKAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(C)cc3)cc2)c(OC)c1 ZINC000035912358 524390369 /nfs/dbraw/zinc/39/03/69/524390369.db2.gz WJTWSBWFLVERRC-RUZDIDTESA-N 0 0 448.544 5.043 50 0 IKAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C)cc3)cc2)c(OC)c1 ZINC000035912359 524390594 /nfs/dbraw/zinc/39/05/94/524390594.db2.gz WJTWSBWFLVERRC-VWLOTQADSA-N 0 0 448.544 5.043 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4ccc(Cl)cc4)c3)C2=O)c1 ZINC000035180947 524392838 /nfs/dbraw/zinc/39/28/38/524392838.db2.gz WJJWKHWPKVXYDK-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4cccnc4Cl)cc3)C2=O)c1 ZINC000034733943 524394625 /nfs/dbraw/zinc/39/46/25/524394625.db2.gz VESGAYAKYSDJHP-UHFFFAOYSA-N 0 0 434.927 5.128 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526545 524412084 /nfs/dbraw/zinc/41/20/84/524412084.db2.gz FDVWOLIEQGHXNI-SANMLTNESA-N 0 0 433.552 5.109 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cc(F)ccc2F)C2CC2)o1 ZINC000035844831 524415719 /nfs/dbraw/zinc/41/57/19/524415719.db2.gz VUCMWLOCVUXIII-UHFFFAOYSA-N 0 0 438.518 5.102 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C(C)C)C2CCCCC2)s1 ZINC000034846752 524416939 /nfs/dbraw/zinc/41/69/39/524416939.db2.gz YNYUJUIELRNGPX-UHFFFAOYSA-N 0 0 444.616 5.542 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccco2)Cc2ccccc2)o1 ZINC000035844956 524417596 /nfs/dbraw/zinc/41/75/96/524417596.db2.gz YQKGNUNATIKLMB-UHFFFAOYSA-N 0 0 442.559 5.455 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 ZINC000023127022 524420360 /nfs/dbraw/zinc/42/03/60/524420360.db2.gz BOMBPDBFPXBAGW-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 ZINC000021096095 524421071 /nfs/dbraw/zinc/42/10/71/524421071.db2.gz MEIRYFAPDDAAPK-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN Cc1cccc(CNC(=O)Nc2c(N)n(-c3ccccc3Cl)nc2-c2ccccc2)c1 ZINC000035868090 524424009 /nfs/dbraw/zinc/42/40/09/524424009.db2.gz YDCCACOZBJHROK-UHFFFAOYSA-N 0 0 431.927 5.405 50 0 IKAARN Cc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc32)c1 ZINC000021935040 524426000 /nfs/dbraw/zinc/42/60/00/524426000.db2.gz SVZYFKKZTSLNKJ-UHFFFAOYSA-N 0 0 432.321 5.298 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000021536128 524427753 /nfs/dbraw/zinc/42/77/53/524427753.db2.gz AAVQLLQJQOKSGE-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN COc1ccccc1CN(C)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC000012914104 524433163 /nfs/dbraw/zinc/43/31/63/524433163.db2.gz UFBYGUORTZRGSX-UHFFFAOYSA-N 0 0 432.524 5.170 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000020508742 524434628 /nfs/dbraw/zinc/43/46/28/524434628.db2.gz KMMIROWBRDBNMQ-DQEYMECFSA-N 0 0 444.600 6.227 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000001167199 524434675 /nfs/dbraw/zinc/43/46/75/524434675.db2.gz NSVYOUXOQUSAPA-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN Cc1cc(C)cc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010861 524439006 /nfs/dbraw/zinc/43/90/06/524439006.db2.gz QWPHXBQHHUJCNB-UHFFFAOYSA-N 0 0 438.579 6.478 50 0 IKAARN C[C@@H](CCC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000022339512 524441595 /nfs/dbraw/zinc/44/15/95/524441595.db2.gz DPUXJIYWJJPISL-NSHDSACASA-N 0 0 448.177 6.684 50 0 IKAARN Cc1cccc(CO[C@H](CN2CCN(C(=O)CCC(C)C)CC2)c2ccc(Cl)cc2)c1 ZINC000022634892 524445107 /nfs/dbraw/zinc/44/51/07/524445107.db2.gz AFXHFKQSTHLYQQ-RUZDIDTESA-N 0 0 443.031 5.487 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000034735296 524446782 /nfs/dbraw/zinc/44/67/82/524446782.db2.gz QGQSSLVHGPCDRX-UHFFFAOYSA-N 0 0 431.511 5.148 50 0 IKAARN C[C@@H]1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc2S1 ZINC000012682231 524450908 /nfs/dbraw/zinc/45/09/08/524450908.db2.gz HKWKQWQUKBAVOP-MRXNPFEDSA-N 0 0 436.606 5.154 50 0 IKAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(OC(C)C)cc2)CC(=O)N3)c1 ZINC000021784719 524462867 /nfs/dbraw/zinc/46/28/67/524462867.db2.gz YYFYJCJNBXIXSB-LJQANCHMSA-N 0 0 435.549 5.044 50 0 IKAARN Cc1cccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3ccccc3)n2)c1 ZINC000015860641 524464841 /nfs/dbraw/zinc/46/48/41/524464841.db2.gz UUWZZGAKTVYDAG-UHFFFAOYSA-N 0 0 443.597 6.481 50 0 IKAARN Cc1cccc(Cc2c(C)nc(SCc3ccc(Br)cc3)n(C)c2=O)c1 ZINC000035844572 524471656 /nfs/dbraw/zinc/47/16/56/524471656.db2.gz OCZFFCZVIXTMAP-UHFFFAOYSA-N 0 0 429.383 5.043 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)c2ccccc2S1 ZINC000024979617 524481982 /nfs/dbraw/zinc/48/19/82/524481982.db2.gz YPGSQJWJEJIJSV-MRXNPFEDSA-N 0 0 432.593 5.566 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)c(C)c1 ZINC000012474641 524482720 /nfs/dbraw/zinc/48/27/20/524482720.db2.gz WVQQYJCKNZWDMQ-FQEVSTJZSA-N 0 0 438.568 5.062 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)c(C)c1 ZINC000012474644 524483991 /nfs/dbraw/zinc/48/39/91/524483991.db2.gz WVQQYJCKNZWDMQ-HXUWFJFHSA-N 0 0 438.568 5.062 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCCCc3ccccc3)C2)c(C)c1 ZINC000012474506 524484490 /nfs/dbraw/zinc/48/44/90/524484490.db2.gz DZTLYAGCCQYBAC-HSZRJFAPSA-N 0 0 436.596 5.374 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000021159923 524493401 /nfs/dbraw/zinc/49/34/01/524493401.db2.gz YSXIBPYGXLUYRA-XUZZJYLKSA-N 0 0 444.623 5.304 50 0 IKAARN COc1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F ZINC000035848173 524496739 /nfs/dbraw/zinc/49/67/39/524496739.db2.gz WZOWFSVTCVLEBY-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(C)c(Cl)c2)n1 ZINC000012462329 524500503 /nfs/dbraw/zinc/50/05/03/524500503.db2.gz DQGLVVAIBTXESE-UHFFFAOYSA-N 0 0 432.742 6.445 50 0 IKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(N(C)C)cc2)n1 ZINC000012446055 524500540 /nfs/dbraw/zinc/50/05/40/524500540.db2.gz JZXWNMKMCNQPLA-UHFFFAOYSA-N 0 0 427.339 5.549 50 0 IKAARN Cc1ccc(CNC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)Sc3ccccc32)cc1 ZINC000020665409 524501359 /nfs/dbraw/zinc/50/13/59/524501359.db2.gz YDZLWLCAGAWDGF-UCQKPKSFSA-N 0 0 448.975 5.445 50 0 IKAARN COc1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1Cl ZINC000015733396 524504385 /nfs/dbraw/zinc/50/43/85/524504385.db2.gz IAUYIZHFIJSVEH-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(NC(=O)CSCc2ccc(-c3nc(-c4ccccc4C)no3)o2)cc1 ZINC000033262374 524505575 /nfs/dbraw/zinc/50/55/75/524505575.db2.gz GFYFDRORNQOIKG-UHFFFAOYSA-N 0 0 435.505 5.186 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)cc1Cl ZINC000011907905 524514958 /nfs/dbraw/zinc/51/49/58/524514958.db2.gz FEYLJAZHTFUJLO-UHFFFAOYSA-N 0 0 440.956 5.201 50 0 IKAARN COc1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000015721623 524516916 /nfs/dbraw/zinc/51/69/16/524516916.db2.gz HDJZQASNNYWHAA-QFIPXVFZSA-N 0 0 434.923 5.383 50 0 IKAARN COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3ccccc3Cl)c2c1=O ZINC000035400662 524522074 /nfs/dbraw/zinc/52/20/74/524522074.db2.gz VFPIMUMTBMGHSE-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000021536555 524526202 /nfs/dbraw/zinc/52/62/02/524526202.db2.gz SQIKRWFSMAKPCJ-AREMUKBSSA-N 0 0 443.497 5.879 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn21 ZINC000034833276 524532692 /nfs/dbraw/zinc/53/26/92/524532692.db2.gz HACNCFDCNSVGJF-IBGZPJMESA-N 0 0 426.564 5.445 50 0 IKAARN COc1ccccc1NC=C1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 ZINC000012524298 524533112 /nfs/dbraw/zinc/53/31/12/524533112.db2.gz NAZAINNEKXXDFM-VKAVYKQESA-N 0 0 438.405 5.354 50 0 IKAARN Cc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccc(C(C)C)cc4)N3C2=O)c1 ZINC000012662498 524533566 /nfs/dbraw/zinc/53/35/66/524533566.db2.gz WAVGGBXCHKUNRA-BDYUSTAISA-N 0 0 449.554 6.083 50 0 biogenic IKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000035927156 524533750 /nfs/dbraw/zinc/53/37/50/524533750.db2.gz WBHTXFVRCBTKNY-RUZDIDTESA-N 0 0 432.545 5.100 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000035926964 524534908 /nfs/dbraw/zinc/53/49/08/524534908.db2.gz FYBYFCRIOGZJFP-HSZRJFAPSA-N 0 0 438.936 5.380 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000035925122 524535280 /nfs/dbraw/zinc/53/52/80/524535280.db2.gz RYEHMKYGYPXRDS-HSZRJFAPSA-N 0 0 438.936 5.380 50 0 IKAARN COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@H]1c1ccc(SC)cc1 ZINC000015412558 524535785 /nfs/dbraw/zinc/53/57/85/524535785.db2.gz DMWCXGMOKBGJBT-RUZDIDTESA-N 0 0 446.572 5.155 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)CCc1ccccc1 ZINC000035925133 524535859 /nfs/dbraw/zinc/53/58/59/524535859.db2.gz OCQLMSMPTDVLKE-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000035926960 524536028 /nfs/dbraw/zinc/53/60/28/524536028.db2.gz BKAFKFZMPUGCDC-HSZRJFAPSA-N 0 0 438.936 5.380 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1C ZINC000020902773 524536508 /nfs/dbraw/zinc/53/65/08/524536508.db2.gz YRDQLBTXPUIADT-HHHXNRCGSA-N 0 0 429.564 5.126 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000021526466 524536528 /nfs/dbraw/zinc/53/65/28/524536528.db2.gz QKDZUIAGPYMMKC-SANMLTNESA-N 0 0 433.552 5.109 50 0 IKAARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000012782191 524543054 /nfs/dbraw/zinc/54/30/54/524543054.db2.gz QGDZFORVMHQMKU-KBPBESRZSA-N 0 0 428.941 5.056 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)C[C@@H]2C)c1 ZINC000015785091 524551997 /nfs/dbraw/zinc/55/19/97/524551997.db2.gz DEYMAEBDGGXTFE-SFHVURJKSA-N 0 0 429.495 5.293 50 0 IKAARN COc1ccccc1N1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2C)CC1 ZINC000035843851 524552013 /nfs/dbraw/zinc/55/20/13/524552013.db2.gz XNWZUTQJRQXJTI-UHFFFAOYSA-N 0 0 445.588 5.031 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)c(OC)c1 ZINC000021879818 524556188 /nfs/dbraw/zinc/55/61/88/524556188.db2.gz BPUYGQSZZTWGSM-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c(OC)c1 ZINC000021879758 524556872 /nfs/dbraw/zinc/55/68/72/524556872.db2.gz HTAPRIGBVGMPSC-RUZDIDTESA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000012344155 524557192 /nfs/dbraw/zinc/55/71/92/524557192.db2.gz YVSYKKNNOLWBOM-NRFANRHFSA-N 0 0 446.334 5.449 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1OC ZINC000021879796 524557241 /nfs/dbraw/zinc/55/72/41/524557241.db2.gz ZPHLUONBOIKABL-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)cc1 ZINC000020735122 524559681 /nfs/dbraw/zinc/55/96/81/524559681.db2.gz BHMONGPECJBDBM-LPYMAVHISA-N 0 0 434.948 5.664 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cc(C)ccc3C)CC2=O)c1 ZINC000016902529 524567107 /nfs/dbraw/zinc/56/71/07/524567107.db2.gz XHJDLLZWCCGNJC-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000012462799 524567787 /nfs/dbraw/zinc/56/77/87/524567787.db2.gz SMFTUNQQJHZKBX-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc(NC(=O)NCc2csc(-c3cccs3)n2)cc1OC1CCCC1 ZINC000012368818 524569142 /nfs/dbraw/zinc/56/91/42/524569142.db2.gz IVPCOSBIGHLWQI-UHFFFAOYSA-N 0 0 429.567 5.523 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c(OC)c1 ZINC000013347802 524579812 /nfs/dbraw/zinc/57/98/12/524579812.db2.gz FQLGFGGNICCFFO-UHFFFAOYSA-N 0 0 430.508 5.020 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)n2c(Cc3cccc(Cl)c3)nc3ccccc32)cc1OC ZINC000037385624 524586447 /nfs/dbraw/zinc/58/64/47/524586447.db2.gz SHSLSGHEEXQAFY-MRXNPFEDSA-N 0 0 449.938 5.497 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c(C)c1 ZINC000033288499 524593543 /nfs/dbraw/zinc/59/35/43/524593543.db2.gz VMEXBYYADZERDZ-LJQANCHMSA-N 0 0 448.592 5.108 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1C ZINC000015975029 524604923 /nfs/dbraw/zinc/60/49/23/524604923.db2.gz VCFLPNOJZJGLNZ-QGZVFWFLSA-N 0 0 448.589 5.029 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1C ZINC000012493881 524605058 /nfs/dbraw/zinc/60/50/58/524605058.db2.gz JELOKTXFVQKQGW-UHFFFAOYSA-N 0 0 434.609 5.722 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)n2c(Cc3cccc(Cl)c3)nc3ccccc32)cc1OC ZINC000037385623 524608860 /nfs/dbraw/zinc/60/88/60/524608860.db2.gz SHSLSGHEEXQAFY-INIZCTEOSA-N 0 0 449.938 5.497 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C(C)C)CCCC3 ZINC000015735586 524612243 /nfs/dbraw/zinc/61/22/43/524612243.db2.gz WSIDZXOAXWIHIA-QHCPKHFHSA-N 0 0 435.593 6.171 50 0 IKAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc1Cl ZINC000020745830 524612597 /nfs/dbraw/zinc/61/25/97/524612597.db2.gz XQWAUONTQZSDLL-MRXNPFEDSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888781 524613097 /nfs/dbraw/zinc/61/30/97/524613097.db2.gz MRRZZIAKKCOKHA-VWLOTQADSA-N 0 0 427.479 5.762 50 0 IKAARN COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020745145 524621420 /nfs/dbraw/zinc/62/14/20/524621420.db2.gz DEUUJCSICQJHPN-VWLOTQADSA-N 0 0 440.543 5.781 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000012688479 524627799 /nfs/dbraw/zinc/62/77/99/524627799.db2.gz OKTSQHASLCUWHE-UHFFFAOYSA-N 0 0 437.499 5.625 50 0 IKAARN COc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1OC ZINC000012782815 524630071 /nfs/dbraw/zinc/63/00/71/524630071.db2.gz JWRNBVZNZWRWOV-UHFFFAOYSA-N 0 0 432.476 5.293 50 0 IKAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4cccc(C)c4)C3=O)cc2)cc1 ZINC000035180824 524635336 /nfs/dbraw/zinc/63/53/36/524635336.db2.gz FYXIHWJLAUIVSQ-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1Cl ZINC000033025186 524643081 /nfs/dbraw/zinc/64/30/81/524643081.db2.gz LCZUEOBCTRVRPW-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1OC ZINC000033261115 524643220 /nfs/dbraw/zinc/64/32/20/524643220.db2.gz XQBKPBMGENOQDY-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035911013 524647783 /nfs/dbraw/zinc/64/77/83/524647783.db2.gz BHFSAEZWORXMLK-UHFFFAOYSA-N 0 0 427.356 6.293 50 0 IKAARN COc1ccccc1N[C@@H](c1c(C)[nH]c2ccc(NC(=O)C(C)(C)C)cc21)c1ccccn1 ZINC000021659671 524648365 /nfs/dbraw/zinc/64/83/65/524648365.db2.gz NVXGOCWXSQTEBR-RUZDIDTESA-N 0 0 442.563 6.066 50 0 IKAARN COc1ccc(NC(=O)c2cn3cc(-c4cccc(C(F)(F)F)c4)ccc3n2)cc1OC ZINC000034831027 524650852 /nfs/dbraw/zinc/65/08/52/524650852.db2.gz CKMJHZKUEIEOEE-UHFFFAOYSA-N 0 0 441.409 5.290 50 0 IKAARN Cc1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)c2)n1 ZINC000035181109 524663114 /nfs/dbraw/zinc/66/31/14/524663114.db2.gz YSCTZRQJQILJOU-UHFFFAOYSA-N 0 0 434.927 5.128 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000012732624 524670896 /nfs/dbraw/zinc/67/08/96/524670896.db2.gz DOCSMIZZHUNVBL-UHFFFAOYSA-N 0 0 446.547 5.782 50 0 IKAARN Cc1cccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000021659381 524673426 /nfs/dbraw/zinc/67/34/26/524673426.db2.gz VFFUGUAOLUIWSI-UHFFFAOYSA-N 0 0 428.923 5.823 50 0 IKAARN Cc1cccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c1C ZINC000021659387 524674633 /nfs/dbraw/zinc/67/46/33/524674633.db2.gz ZYABKDUOXXNMQN-UHFFFAOYSA-N 0 0 442.950 6.131 50 0 IKAARN COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)C3CC4CC(C3)CC2C4)cc1 ZINC000035170777 524674588 /nfs/dbraw/zinc/67/45/88/524674588.db2.gz CXVRJELAEOZQBD-UHFFFAOYSA-N 0 0 429.568 5.051 50 0 IKAARN COc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1Cl ZINC000020990054 524688956 /nfs/dbraw/zinc/68/89/56/524688956.db2.gz VSTDFBMPIABOPX-UHFFFAOYSA-N 0 0 446.956 5.094 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(=O)C2CC2)c(-c2ccccc2)nn1C ZINC000035980557 524696126 /nfs/dbraw/zinc/69/61/26/524696126.db2.gz HBECWXNCMDVLRE-UHFFFAOYSA-N 0 0 431.536 5.037 50 0 IKAARN COc1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC ZINC000012554694 524698065 /nfs/dbraw/zinc/69/80/65/524698065.db2.gz WZWNSMDIDXEZNQ-OAQYLSRUSA-N 0 0 430.426 5.515 50 0 IKAARN COc1ccc(N[C@@H](C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c2ccccc2)cc1 ZINC000012525001 524698289 /nfs/dbraw/zinc/69/82/89/524698289.db2.gz BUVMBNMUISMHFH-HSZRJFAPSA-N 0 0 429.545 5.919 50 0 IKAARN Cc1ccc(Cc2nsc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000035771005 524698849 /nfs/dbraw/zinc/69/88/49/524698849.db2.gz LRAMKFLKVSWIQJ-UHFFFAOYSA-N 0 0 440.616 5.349 50 0 IKAARN COc1ccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC ZINC000012554696 524706013 /nfs/dbraw/zinc/70/60/13/524706013.db2.gz WZWNSMDIDXEZNQ-NRFANRHFSA-N 0 0 430.426 5.515 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cccc(F)c4)cc3)n2)cc1 ZINC000017013476 524713967 /nfs/dbraw/zinc/71/39/67/524713967.db2.gz TYOSITFIJKLZQB-UHFFFAOYSA-N 0 0 443.482 5.672 50 0 IKAARN COc1ccc(Nc2nc(C)c(NC(=O)C(C)(C)C)c(Nc3ccc(OC)cc3)n2)cc1 ZINC000033258709 524717351 /nfs/dbraw/zinc/71/73/51/524717351.db2.gz SXTJAQQJBFSPMH-UHFFFAOYSA-N 0 0 435.528 5.274 50 0 IKAARN C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2)c1ccccc1 ZINC000032983867 524718735 /nfs/dbraw/zinc/71/87/35/524718735.db2.gz HPHSURMAJCVIJG-YQCVNYCESA-N 0 0 432.907 5.246 50 0 IKAARN COc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000012371117 524721662 /nfs/dbraw/zinc/72/16/62/524721662.db2.gz LYACWUHBYBFCNJ-UHFFFAOYSA-N 0 0 441.318 6.441 50 0 IKAARN C[C@@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccccc2C(=O)c2ccccc2)=C3)C1 ZINC000020557596 524726273 /nfs/dbraw/zinc/72/62/73/524726273.db2.gz NULXITIUIHMFQQ-MRXNPFEDSA-N 0 0 445.609 6.330 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(N3CCCCC3)c3ccccc23)CC1 ZINC000033073191 524732142 /nfs/dbraw/zinc/73/21/42/524732142.db2.gz AMHLVUYZLFJQAI-UHFFFAOYSA-N 0 0 448.998 5.149 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2c3ccccc3nnc2-c2ccccc2)CC1 ZINC000032953127 524732460 /nfs/dbraw/zinc/73/24/60/524732460.db2.gz XIBPRMRGIYHIRI-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN Cc1cccc(OCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1C ZINC000035146411 524734314 /nfs/dbraw/zinc/73/43/14/524734314.db2.gz SWLYPZHNLMBMCQ-NRFANRHFSA-N 0 0 433.596 5.627 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CN(C)CC3 ZINC000035426949 524749854 /nfs/dbraw/zinc/74/98/54/524749854.db2.gz OIABGGNBKZPTOB-OAHLLOKOSA-N 0 0 441.000 5.597 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012539553 524751924 /nfs/dbraw/zinc/75/19/24/524751924.db2.gz WCAZKHLPXSHXMX-OAQYLSRUSA-N 0 0 443.522 5.079 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733512 524752383 /nfs/dbraw/zinc/75/23/83/524752383.db2.gz ODNNQTBELOGLHD-INIZCTEOSA-N 0 0 433.895 5.771 50 0 IKAARN COc1ccccc1[C@@H]1c2sc3c(c2CCN1C(=O)Nc1ccc(C)cc1C)CCCC3 ZINC000021048711 524763581 /nfs/dbraw/zinc/76/35/81/524763581.db2.gz YPQSZOAECBMFED-RUZDIDTESA-N 0 0 446.616 6.432 50 0 IKAARN COc1ccccc1[C@@H]1c2sc3c(c2CCN1C(=O)NCc1ccc(C)cc1)CCCC3 ZINC000021048794 524763858 /nfs/dbraw/zinc/76/38/58/524763858.db2.gz LUDBYWCHTNVCMR-RUZDIDTESA-N 0 0 446.616 5.801 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000021159314 524770067 /nfs/dbraw/zinc/77/00/67/524770067.db2.gz CGAUHNOWHGESFN-UHFFFAOYSA-N 0 0 444.623 5.448 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000021159427 524771004 /nfs/dbraw/zinc/77/10/04/524771004.db2.gz WREZRCYBWJXEJV-URXFXBBRSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1ccc(Cn2cc([C@H](CC(=O)N3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035815736 524772625 /nfs/dbraw/zinc/77/26/25/524772625.db2.gz XOPSGRGGDBIXGU-AREMUKBSSA-N 0 0 440.562 6.282 50 0 IKAARN Cc1cccc(Oc2c(CN(C(=O)c3ccco3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980721 524782217 /nfs/dbraw/zinc/78/22/17/524782217.db2.gz VOOGPKAODHOMMT-UHFFFAOYSA-N 0 0 427.504 5.586 50 0 IKAARN Cc1cccc(Oc2c(CN(CC3CC3)C(=O)c3ccco3)c(-c3ccccc3)nn2C)c1 ZINC000035980789 524782294 /nfs/dbraw/zinc/78/22/94/524782294.db2.gz YYMWZMOEEFSCMC-UHFFFAOYSA-N 0 0 441.531 5.833 50 0 IKAARN Cc1cccc(Oc2c(CN(C[C@H]3CCCO3)C(=O)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980775 524785177 /nfs/dbraw/zinc/78/51/77/524785177.db2.gz WCGAYSYILHOYSH-HSZRJFAPSA-N 0 0 445.563 5.105 50 0 IKAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)c1 ZINC000033142066 524789159 /nfs/dbraw/zinc/78/91/59/524789159.db2.gz VGRYDIHKDSFNJQ-OAQYLSRUSA-N 0 0 444.579 5.288 50 0 IKAARN COc1ccc(OC)c(-c2c(C)c3cc(OCC(=O)c4ccccc4)ccc3oc2=O)c1 ZINC000011866314 524789556 /nfs/dbraw/zinc/78/95/56/524789556.db2.gz JPVZCOIAHPTHQE-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 biogenic IKAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)no2)c1 ZINC000036011863 524791626 /nfs/dbraw/zinc/79/16/26/524791626.db2.gz WBNFIANUSHYWSO-UHFFFAOYSA-N 0 0 428.488 5.201 50 0 IKAARN C[C@H](Cn1cnc2c3cc(F)ccc3n(Cc3ccccc3F)c2c1=O)c1ccccc1 ZINC000035400502 524796765 /nfs/dbraw/zinc/79/67/65/524796765.db2.gz ODVZZLCVQLOUDL-QGZVFWFLSA-N 0 0 429.470 5.481 50 0 IKAARN C[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000035944089 524800131 /nfs/dbraw/zinc/80/01/31/524800131.db2.gz YXOHRYLHCVUPMD-MTIDIVMFSA-N 0 0 442.648 6.359 50 0 IKAARN COc1ccccc1[C@H](Nc1ccccn1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000035476847 524801322 /nfs/dbraw/zinc/80/13/22/524801322.db2.gz HKDOHEQNAKTTPW-QHCPKHFHSA-N 0 0 429.545 5.914 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4OC)ccc3c2C)c1 ZINC000015729403 524812303 /nfs/dbraw/zinc/81/23/03/524812303.db2.gz WHTFHXACWQWUAO-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccccc2Cl)c1 ZINC000035928026 524812722 /nfs/dbraw/zinc/81/27/22/524812722.db2.gz QVIQFNJBEZUHEO-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1scnc1C ZINC000012440375 524819502 /nfs/dbraw/zinc/81/95/02/524819502.db2.gz OAXKTKZBXHBOPN-VWLOTQADSA-N 0 0 431.561 5.048 50 0 IKAARN COc1ccc(OC)c(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccc(C)cc2)c1 ZINC000035928665 524842680 /nfs/dbraw/zinc/84/26/80/524842680.db2.gz RZHUOQFOIVXVOJ-VWLOTQADSA-N 0 0 448.544 5.043 50 0 IKAARN COc1ccc(OC)c(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(C)cc2)c1 ZINC000035928664 524843657 /nfs/dbraw/zinc/84/36/57/524843657.db2.gz RZHUOQFOIVXVOJ-RUZDIDTESA-N 0 0 448.544 5.043 50 0 IKAARN COc1ccc(OC)c(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c1 ZINC000012845628 524845812 /nfs/dbraw/zinc/84/58/12/524845812.db2.gz AGQYYEYGVJFPIL-XSFVSMFZSA-N 0 0 425.431 5.485 50 0 IKAARN Cc1cccc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c1 ZINC000021791000 524851017 /nfs/dbraw/zinc/85/10/17/524851017.db2.gz YHEJMWQRUBLNOT-NRFANRHFSA-N 0 0 432.474 5.620 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000021893297 524856220 /nfs/dbraw/zinc/85/62/20/524856220.db2.gz RYANAAAHJJWTJR-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000021893347 524856684 /nfs/dbraw/zinc/85/66/84/524856684.db2.gz STKPVCUPOXLICQ-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCCC(C)C)CCCC4)c1 ZINC000021539842 524857408 /nfs/dbraw/zinc/85/74/08/524857408.db2.gz OUHYXRFOCUEDQO-RUZDIDTESA-N 0 0 447.648 6.387 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1 ZINC000021890850 524859733 /nfs/dbraw/zinc/85/97/33/524859733.db2.gz AOSIVXBMQGJFQY-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc(OC)c(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c1 ZINC000033062255 524860640 /nfs/dbraw/zinc/86/06/40/524860640.db2.gz PRQPBFLPCPZHIZ-HXUWFJFHSA-N 0 0 433.483 5.278 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000015799375 524875172 /nfs/dbraw/zinc/87/51/72/524875172.db2.gz WGEMDVVPNFDTRJ-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN C[C@H](NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1 ZINC000012799016 524876284 /nfs/dbraw/zinc/87/62/84/524876284.db2.gz AXWZTEIHEJKHLP-ITHMCKDVSA-N 0 0 437.337 5.314 50 0 IKAARN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)c1 ZINC000021897689 524880661 /nfs/dbraw/zinc/88/06/61/524880661.db2.gz LTKJAIZSTLDJGY-GOSISDBHSA-N 0 0 436.552 5.367 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036032482 524881797 /nfs/dbraw/zinc/88/17/97/524881797.db2.gz YFFNWPDFXXMRFU-QGZVFWFLSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC000012567161 524883423 /nfs/dbraw/zinc/88/34/23/524883423.db2.gz XDWWXHIOTMBUIH-QGZVFWFLSA-N 0 0 447.560 5.168 50 0 IKAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000021728867 524893290 /nfs/dbraw/zinc/89/32/90/524893290.db2.gz QKAZMVAUBLXKJY-QFIPXVFZSA-N 0 0 439.515 5.339 50 0 IKAARN Cc1cccc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c1 ZINC000021791004 524894125 /nfs/dbraw/zinc/89/41/25/524894125.db2.gz YHEJMWQRUBLNOT-OAQYLSRUSA-N 0 0 432.474 5.620 50 0 IKAARN Cc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000035476720 524902289 /nfs/dbraw/zinc/90/22/89/524902289.db2.gz IJELHDRAZHLCSZ-UHFFFAOYSA-N 0 0 427.552 5.194 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)NC2CC2)n1C1CCCCC1 ZINC000013113240 524906460 /nfs/dbraw/zinc/90/64/60/524906460.db2.gz RLPWZPHDQLRAKD-OAHLLOKOSA-N 0 0 449.020 5.083 50 0 IKAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000000668851 524908818 /nfs/dbraw/zinc/90/88/18/524908818.db2.gz OYDMUBCHHIUAGA-JTQLQIEISA-N 0 0 447.554 5.579 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)cc1C ZINC000035910805 524920477 /nfs/dbraw/zinc/92/04/77/524920477.db2.gz HOVOXYHOPONXNK-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c(C)c1 ZINC000035912220 524920675 /nfs/dbraw/zinc/92/06/75/524920675.db2.gz TVJSBXXHHBWVAH-SANMLTNESA-N 0 0 430.573 5.653 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035910876 524920877 /nfs/dbraw/zinc/92/08/77/524920877.db2.gz DJQBUZWCKIMHCC-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1F ZINC000035928651 524920994 /nfs/dbraw/zinc/92/09/94/524920994.db2.gz FSAYKLBZGKMDGW-HSZRJFAPSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCCC(C)C)cc1C ZINC000021911833 524922291 /nfs/dbraw/zinc/92/22/91/524922291.db2.gz IGLYGYUWSWXFTM-DEOSSOPVSA-N 0 0 449.620 5.137 50 0 IKAARN Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)[nH]c12 ZINC000033063894 524924026 /nfs/dbraw/zinc/92/40/26/524924026.db2.gz NSNHHQRUWWXIKO-SFHVURJKSA-N 0 0 444.556 5.535 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1Cl ZINC000009663621 524924845 /nfs/dbraw/zinc/92/48/45/524924845.db2.gz DJFFHCMIHOKDDF-UHFFFAOYSA-N 0 0 447.343 5.637 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000021356506 524925462 /nfs/dbraw/zinc/92/54/62/524925462.db2.gz QLOSOZZDWGYWIO-UHFFFAOYSA-N 0 0 434.561 5.628 50 0 IKAARN Cc1ccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=S)c(C)c1 ZINC000012661638 524928589 /nfs/dbraw/zinc/92/85/89/524928589.db2.gz NEPOQNDEHSXVGG-NOZRDPDXSA-N 0 0 437.568 5.433 50 0 biogenic IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Br)cc4)c3[C@@H]2c2cccnc2)cc1 ZINC000021367364 524929182 /nfs/dbraw/zinc/92/91/82/524929182.db2.gz VGLBSVJQNNHFNH-QFIPXVFZSA-N 0 0 445.320 5.292 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021809306 524930787 /nfs/dbraw/zinc/93/07/87/524930787.db2.gz UHDLAJGILRULOR-SXMMONRFSA-N 0 0 435.593 5.125 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000015672666 524931976 /nfs/dbraw/zinc/93/19/76/524931976.db2.gz JENPQQMMAJIZKH-CMPWMSKVSA-N 0 0 449.620 5.434 50 0 IKAARN COc1ccc(OCC(=O)N2c3ccccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000001107329 524932449 /nfs/dbraw/zinc/93/24/49/524932449.db2.gz MFKWEFNLQIORIP-UHFFFAOYSA-N 0 0 429.588 5.875 50 0 IKAARN C[C@H](NC(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000011872441 524938701 /nfs/dbraw/zinc/93/87/01/524938701.db2.gz NNPOFTHCBDVNFL-AFMDSPMNSA-N 0 0 432.589 5.264 50 0 IKAARN COc1ccc(OCCCC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000012691487 524941560 /nfs/dbraw/zinc/94/15/60/524941560.db2.gz DQLZAZMVHFZOJU-UHFFFAOYSA-N 0 0 449.547 5.100 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)Cc2ccccc2)c1 ZINC000034735931 524946393 /nfs/dbraw/zinc/94/63/93/524946393.db2.gz WYZKKWBHOVCFFX-UHFFFAOYSA-N 0 0 447.966 5.662 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cc(F)ccc3F)C2=O)c(NC(=O)c2cccs2)c1 ZINC000034736425 524947595 /nfs/dbraw/zinc/94/75/95/524947595.db2.gz ZERQUWVNRQIHIE-UHFFFAOYSA-N 0 0 441.503 5.419 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c(NC(=O)c2ccccc2C)c1 ZINC000034736036 524947710 /nfs/dbraw/zinc/94/77/10/524947710.db2.gz FPWIDPMUKWLRTD-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034736518 524948126 /nfs/dbraw/zinc/94/81/26/524948126.db2.gz HUGJXZGYOKYIAF-UHFFFAOYSA-N 0 0 435.612 6.325 50 0 IKAARN COc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000037396414 524958785 /nfs/dbraw/zinc/95/87/85/524958785.db2.gz LWOCFYCBWGRJQN-UHFFFAOYSA-N 0 0 432.446 5.336 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3nc4Cl)C[C@H]2C)cc1 ZINC000020286117 524962100 /nfs/dbraw/zinc/96/21/00/524962100.db2.gz JXEHPUXKQQIFDM-MRXNPFEDSA-N 0 0 435.980 5.762 50 0 IKAARN COc1ccc(OCCSc2nnc(-c3ccccc3F)n2CCc2ccccc2)cc1 ZINC000012619383 524963758 /nfs/dbraw/zinc/96/37/58/524963758.db2.gz HBCLCYCIFDHCHZ-UHFFFAOYSA-N 0 0 449.551 5.507 50 0 IKAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4noc(C5CCCC5)n4)c3)CC2=O)cc1C ZINC000021883514 524980130 /nfs/dbraw/zinc/98/01/30/524980130.db2.gz HUXJDZMGYMNMPR-FQEVSTJZSA-N 0 0 444.535 5.003 50 0 IKAARN C[C@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000035891942 524983062 /nfs/dbraw/zinc/98/30/62/524983062.db2.gz VVLWCRAQZGPXQV-JXFKEZNVSA-N 0 0 437.370 6.874 50 0 IKAARN Cc1ccc(N2N=C(C(=O)c3ccccc3)S[C@]23SCC(=O)N3c2ccccc2)cc1 ZINC000012340729 524986940 /nfs/dbraw/zinc/98/69/40/524986940.db2.gz FKGOBFPQRRZPLE-DEOSSOPVSA-N 0 0 445.569 5.136 50 0 IKAARN Cc1cc(F)ccc1NC(=O)CSc1ccc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000012540978 524988973 /nfs/dbraw/zinc/98/89/73/524988973.db2.gz DZWFYVRZXPWBAB-UHFFFAOYSA-N 0 0 427.500 6.230 50 0 IKAARN COc1ccc(Oc2c(CN(CC3CC3)C(=O)C3CCC3)c(-c3ccccc3)nn2C)cc1 ZINC000035980637 524990263 /nfs/dbraw/zinc/99/02/63/524990263.db2.gz YWAZLVMUJOVBKV-UHFFFAOYSA-N 0 0 445.563 5.427 50 0 IKAARN COc1ccc(Oc2cc(N[C@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc2OC)cc1 ZINC000012736884 524991389 /nfs/dbraw/zinc/99/13/89/524991389.db2.gz GNALICIMPNJYNU-DEOSSOPVSA-N 0 0 436.483 5.067 50 0 IKAARN COc1ccc(Oc2cc(N[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc2OC)cc1 ZINC000012736882 524991412 /nfs/dbraw/zinc/99/14/12/524991412.db2.gz GNALICIMPNJYNU-XMMPIXPASA-N 0 0 436.483 5.067 50 0 IKAARN COc1ccc(Oc2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)cc1 ZINC000033115901 524992032 /nfs/dbraw/zinc/99/20/32/524992032.db2.gz IOHZDROUBMCSDJ-SFHVURJKSA-N 0 0 427.460 5.058 50 0 IKAARN C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(Cl)c(Cl)c1 ZINC000017963076 524993800 /nfs/dbraw/zinc/99/38/00/524993800.db2.gz HVHLFWMCUXGNKD-LBPRGKRZSA-N 0 0 431.348 5.344 50 0 IKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)cn2)cc1 ZINC000065057924 524996950 /nfs/dbraw/zinc/99/69/50/524996950.db2.gz BHAVFJPHOAFNRH-UHFFFAOYSA-N 0 0 433.414 5.475 50 0 IKAARN Cc1ccccc1-c1c(-c2ccc(OCc3ccccc3)c(C)c2O)n[nH]c1C(F)(F)F ZINC000012577103 525000848 /nfs/dbraw/zinc/00/08/48/525000848.db2.gz SIKHKEPKQGLTLW-UHFFFAOYSA-N 0 0 438.449 6.664 50 0 IKAARN Cc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2cccnc2)c2cnn(C(C)C)c2n1 ZINC000022423974 525001595 /nfs/dbraw/zinc/00/15/95/525001595.db2.gz YOGPCEVRFHMLGO-XMMPIXPASA-N 0 0 425.536 5.360 50 0 IKAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)nn1 ZINC000022494065 525002724 /nfs/dbraw/zinc/00/27/24/525002724.db2.gz XJOQWUJSIVAPKL-UHFFFAOYSA-N 0 0 448.570 5.974 50 0 IKAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012567235 525013450 /nfs/dbraw/zinc/01/34/50/525013450.db2.gz ZLSTZMZANWTTHH-UHFFFAOYSA-N 0 0 425.488 5.261 50 0 IKAARN Cc1ccccc1-c1nnc(CSc2nnc(NC(=O)CC3CCCCC3)s2)o1 ZINC000021359284 525014731 /nfs/dbraw/zinc/01/47/31/525014731.db2.gz KSKRANUMQGNWDV-UHFFFAOYSA-N 0 0 429.571 5.098 50 0 IKAARN Cc1ccccc1-c1noc(-c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)n1 ZINC000033254858 525019436 /nfs/dbraw/zinc/01/94/36/525019436.db2.gz MRBRNTRXZNOHNB-UHFFFAOYSA-N 0 0 435.487 5.209 50 0 IKAARN Cc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)n1 ZINC000012760279 525021505 /nfs/dbraw/zinc/02/15/05/525021505.db2.gz MJHVFVRIRXRBMT-UHFFFAOYSA-N 0 0 434.908 5.185 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2)c(C)c1 ZINC000012447072 525022522 /nfs/dbraw/zinc/02/25/22/525022522.db2.gz NSSPQRJTHDCMBF-XMMPIXPASA-N 0 0 426.495 5.720 50 0 IKAARN Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccc(C(F)(F)F)cc1 ZINC000035848014 525025207 /nfs/dbraw/zinc/02/52/07/525025207.db2.gz PDXIBEYFIAZJPI-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O ZINC000012650206 525025441 /nfs/dbraw/zinc/02/54/41/525025441.db2.gz OBSUYIQCKKGFTJ-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN Cc1ccccc1-n1c(SCCOc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000012690057 525026579 /nfs/dbraw/zinc/02/65/79/525026579.db2.gz QKKNQBQUOQJSOV-UHFFFAOYSA-N 0 0 443.616 6.711 50 0 IKAARN Cc1ccccc1-n1c(SCc2csc(-c3ccsc3)n2)nnc1-c1cccnc1 ZINC000014757433 525026685 /nfs/dbraw/zinc/02/66/85/525026685.db2.gz AKRUEUDRTFACQD-UHFFFAOYSA-N 0 0 447.614 6.115 50 0 IKAARN Cc1ccccc1-n1c(SCc2cn3ccccc3n2)nnc1-c1c[nH]c2ccccc12 ZINC000012530904 525026787 /nfs/dbraw/zinc/02/67/87/525026787.db2.gz VCHNFUJTKCKTAH-UHFFFAOYSA-N 0 0 436.544 5.664 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2C(F)(F)F)nnc1-c1cccnc1 ZINC000035840292 525027132 /nfs/dbraw/zinc/02/71/32/525027132.db2.gz PUUHAETULVJUFM-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN C[C@@H](NC(=O)C(=Cc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000012625659 525038965 /nfs/dbraw/zinc/03/89/65/525038965.db2.gz TZFNHMWQUAKROJ-KDURUIRLSA-N 0 0 432.951 5.478 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1C ZINC000021882553 525041360 /nfs/dbraw/zinc/04/13/60/525041360.db2.gz ZJEJUSWEPPCYNY-MRXNPFEDSA-N 0 0 437.609 5.324 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)CC1 ZINC000021927402 525044683 /nfs/dbraw/zinc/04/46/83/525044683.db2.gz NFDPZZGMKUHYCR-UHFFFAOYSA-N 0 0 434.624 5.120 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)CC1 ZINC000012802966 525045065 /nfs/dbraw/zinc/04/50/65/525045065.db2.gz DXGJYSSJXVBJBE-OUKQBFOZSA-N 0 0 425.532 5.051 50 0 IKAARN C[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@@H](C)O1 ZINC000012620833 525059791 /nfs/dbraw/zinc/05/97/91/525059791.db2.gz JWVCPRQCIKOFRB-LPMFXHHGSA-N 0 0 426.866 5.148 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccccc2C)cc1 ZINC000000696810 525060954 /nfs/dbraw/zinc/06/09/54/525060954.db2.gz ZGWPYAYXENAZAW-UHFFFAOYSA-N 0 0 426.520 5.591 50 0 IKAARN Cc1ccccc1C(=O)Nc1cc(-c2cccc(Br)c2)nn1-c1ccccc1 ZINC000015821124 525062190 /nfs/dbraw/zinc/06/21/90/525062190.db2.gz CQEXRBGEPIYQDJ-UHFFFAOYSA-N 0 0 432.321 5.863 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884081 525064880 /nfs/dbraw/zinc/06/48/80/525064880.db2.gz ZYLKRFWBUFWFSP-OAHLLOKOSA-N 0 0 438.886 5.041 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882940 525064960 /nfs/dbraw/zinc/06/49/60/525064960.db2.gz BKIKXRDIBVZTOU-KOSHJBKYSA-N 0 0 426.516 5.126 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910439 525065519 /nfs/dbraw/zinc/06/55/19/525065519.db2.gz STWZVLZBQVWJMV-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN C[C@H]1S[C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)N(c2ccccc2)C1=O ZINC000012417005 525075260 /nfs/dbraw/zinc/07/52/60/525075260.db2.gz BCXVBOSDFJJECZ-VOIUYBSRSA-N 0 0 434.948 5.208 50 0 IKAARN Cc1ccccc1C1=N/C(=C\c2cccc(OCc3ccccc3Br)c2)C(=O)O1 ZINC000008432031 525086109 /nfs/dbraw/zinc/08/61/09/525086109.db2.gz PTEYJZGFOHROLV-HMAPJEAMSA-N 0 0 448.316 5.681 50 0 IKAARN C[C@@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000012623735 525087268 /nfs/dbraw/zinc/08/72/68/525087268.db2.gz ZLYRVOVJFNXIOR-FVFHPELPSA-N 0 0 432.633 6.401 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1Br ZINC000021410454 525095468 /nfs/dbraw/zinc/09/54/68/525095468.db2.gz IIEPKVWJGKVUFU-GFCCVEGCSA-N 0 0 435.268 5.192 50 0 IKAARN Cc1cc(N2CCn3c4ccc(Cl)cc4nc3C2)ccc1NC(=O)COc1ccccc1 ZINC000033320657 525096772 /nfs/dbraw/zinc/09/67/72/525096772.db2.gz GFCNMMLTEVZTOG-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN Cc1cc(N2CCn3c4ccc(Cl)cc4nc3C2)ccc1NC(=O)CCc1ccccc1 ZINC000033018607 525097474 /nfs/dbraw/zinc/09/74/74/525097474.db2.gz NPRGNVLIJFEPAD-UHFFFAOYSA-N 0 0 444.966 5.590 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cc(C)ccc3cc(CNc3ccccc3)c2=O)c(C)c1 ZINC000020940077 525100474 /nfs/dbraw/zinc/10/04/74/525100474.db2.gz ZJQWYFALNUMXAI-UHFFFAOYSA-N 0 0 425.532 5.178 50 0 IKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000034680053 525117987 /nfs/dbraw/zinc/11/79/87/525117987.db2.gz JALAYBYXYLZLOG-HSZRJFAPSA-N 0 0 442.603 5.994 50 0 IKAARN C[C@@H](NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000035891684 525126361 /nfs/dbraw/zinc/12/63/61/525126361.db2.gz RMUCLLGTYOUKHJ-XMSQKQJNSA-N 0 0 426.516 5.306 50 0 IKAARN C[C@@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc2c(c1)OCO2 ZINC000016680265 525126950 /nfs/dbraw/zinc/12/69/50/525126950.db2.gz CTZMJTIIBNUJRQ-CQSZACIVSA-N 0 0 449.557 5.057 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1 ZINC000034908718 525128157 /nfs/dbraw/zinc/12/81/57/525128157.db2.gz UJYJBNLOEQWVNP-JOCHJYFZSA-N 0 0 433.458 6.450 50 0 IKAARN C[C@@H](NC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000035891680 525130420 /nfs/dbraw/zinc/13/04/20/525130420.db2.gz RMUCLLGTYOUKHJ-GCJKJVERSA-N 0 0 426.516 5.306 50 0 IKAARN C[C@@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000035888533 525130856 /nfs/dbraw/zinc/13/08/56/525130856.db2.gz JTBRMQVLNOZVCI-VGSWGCGISA-N 0 0 436.477 6.586 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1F ZINC000023332460 525131680 /nfs/dbraw/zinc/13/16/80/525131680.db2.gz UXGFFTVUCDGKMQ-UHFFFAOYSA-N 0 0 439.481 5.351 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)c(C)c1 ZINC000034908807 525132515 /nfs/dbraw/zinc/13/25/15/525132515.db2.gz QNKVQEPPHNWVRZ-QHCPKHFHSA-N 0 0 429.495 6.620 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015677000 525134881 /nfs/dbraw/zinc/13/48/81/525134881.db2.gz JJHHBRMOGDAZKD-NDEPHWFRSA-N 0 0 443.591 5.203 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)C1=O ZINC000035180879 525139133 /nfs/dbraw/zinc/13/91/33/525139133.db2.gz FNKRUXQMVXTXBD-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4CCCC4)c3C2)cc1Cl ZINC000016533639 525144946 /nfs/dbraw/zinc/14/49/46/525144946.db2.gz AKERTMXFMXVLSZ-UHFFFAOYSA-N 0 0 447.970 5.296 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1Cl ZINC000021894101 525148543 /nfs/dbraw/zinc/14/85/43/525148543.db2.gz KYQLPRIIWPVSMQ-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)cc1F ZINC000021536066 525148558 /nfs/dbraw/zinc/14/85/58/525148558.db2.gz XOQVZJMNZHBVAC-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)cc1C ZINC000021893566 525148710 /nfs/dbraw/zinc/14/87/10/525148710.db2.gz LFWFXZVIZWQHCJ-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000021536494 525149143 /nfs/dbraw/zinc/14/91/43/525149143.db2.gz GVWNSHFXXZYWFR-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000021536170 525149187 /nfs/dbraw/zinc/14/91/87/525149187.db2.gz NERZOJCDQYNDIL-SANMLTNESA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000021536064 525149215 /nfs/dbraw/zinc/14/92/15/525149215.db2.gz XOQVZJMNZHBVAC-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)cc1F ZINC000021536788 525149366 /nfs/dbraw/zinc/14/93/66/525149366.db2.gz AXFNOYQROMJMRW-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000015732145 525149475 /nfs/dbraw/zinc/14/94/75/525149475.db2.gz FYGSRHLNAYVRBK-GDLZYMKVSA-N 0 0 449.598 7.355 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c(Cl)c1 ZINC000021891200 525149546 /nfs/dbraw/zinc/14/95/46/525149546.db2.gz COSQLANNUPTXDF-HSZRJFAPSA-N 0 0 433.964 6.638 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CN(C)CC4)c(Cl)c1 ZINC000035426940 525149809 /nfs/dbraw/zinc/14/98/09/525149809.db2.gz RUGBPKHTVYAWBJ-HNNXBMFYSA-N 0 0 441.000 5.597 50 0 IKAARN C[C@H](NC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C)c1ccccc1 ZINC000012631306 525150906 /nfs/dbraw/zinc/15/09/06/525150906.db2.gz HOWHGGJWBVJQGK-ZRCAFCQKSA-N 0 0 447.000 5.569 50 0 IKAARN Cc1cc(NC(=O)CSCc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442034 525156742 /nfs/dbraw/zinc/15/67/42/525156742.db2.gz AHQACCNRIJXYHG-UHFFFAOYSA-N 0 0 438.553 5.315 50 0 IKAARN COc1ccc([C@@H](CC(=O)Nc2cccc(SC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560678 525171453 /nfs/dbraw/zinc/17/14/53/525171453.db2.gz PBGWIYFYGHPQDE-HSZRJFAPSA-N 0 0 432.545 5.143 50 0 IKAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000021784511 525185917 /nfs/dbraw/zinc/18/59/17/525185917.db2.gz BVAZGUWTTIHCBQ-SFHVURJKSA-N 0 0 435.549 5.044 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(N3CCCN(Cc4cc(C)cc(C)c4)C3=O)c2)cc1 ZINC000034737254 525188236 /nfs/dbraw/zinc/18/82/36/525188236.db2.gz RHUQEEWMYVWCRY-UHFFFAOYSA-N 0 0 442.563 6.088 50 0 IKAARN Cc1cc(NC(=O)NCc2ccc(F)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008390 525194504 /nfs/dbraw/zinc/19/45/04/525194504.db2.gz QXTMBSGYAHPIPL-UHFFFAOYSA-N 0 0 434.496 5.318 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000021855619 525198624 /nfs/dbraw/zinc/19/86/24/525198624.db2.gz DCHOLOREXHGXBQ-AREMUKBSSA-N 0 0 449.982 5.158 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000020902753 525199173 /nfs/dbraw/zinc/19/91/73/525199173.db2.gz VAZRQOSUWOJMGL-RUZDIDTESA-N 0 0 435.955 5.163 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(F)c1 ZINC000020903244 525200136 /nfs/dbraw/zinc/20/01/36/525200136.db2.gz COXFYLZFWNQNOB-AREMUKBSSA-N 0 0 433.527 5.039 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(F)cc1 ZINC000021527598 525200276 /nfs/dbraw/zinc/20/02/76/525200276.db2.gz DNEYDIQDVKQLGU-HHHXNRCGSA-N 0 0 447.554 5.034 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000021161525 525200327 /nfs/dbraw/zinc/20/03/27/525200327.db2.gz XQNUANABJMITBK-AREMUKBSSA-N 0 0 449.982 5.553 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccs1 ZINC000021809738 525202181 /nfs/dbraw/zinc/20/21/81/525202181.db2.gz MCLXUQNLRSCOAO-HSZRJFAPSA-N 0 0 441.622 5.018 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(F)cc1 ZINC000020903305 525202439 /nfs/dbraw/zinc/20/24/39/525202439.db2.gz KNAGIARXYYGBFE-HHHXNRCGSA-N 0 0 447.554 5.429 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000021526657 525202871 /nfs/dbraw/zinc/20/28/71/525202871.db2.gz JBCOJGCSGXZHKL-RUZDIDTESA-N 0 0 425.573 5.011 50 0 IKAARN COc1ccc([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476837 525204776 /nfs/dbraw/zinc/20/47/76/525204776.db2.gz RBUZPCPLZNFUMB-XMMPIXPASA-N 0 0 443.572 6.222 50 0 IKAARN Cc1ccccc1Cn1c2ccc(F)cc2c2ncn(C[C@H](C)c3ccccc3)c(=O)c21 ZINC000035400482 525208811 /nfs/dbraw/zinc/20/88/11/525208811.db2.gz LKCTXFQTPKHJSY-IBGZPJMESA-N 0 0 425.507 5.651 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000021160055 525209873 /nfs/dbraw/zinc/20/98/73/525209873.db2.gz NHLDSCPSFKIEKS-SFTDATJTSA-N 0 0 444.623 5.114 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000021160255 525211630 /nfs/dbraw/zinc/21/16/30/525211630.db2.gz CHDQZAXXMMTYCL-QPPBQGQZSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021808558 525220560 /nfs/dbraw/zinc/22/05/60/525220560.db2.gz RNNIMXJZBXJJCX-SZXMBJESSA-N 0 0 435.593 5.125 50 0 IKAARN Cc1ccccc1N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1 ZINC000001097685 525223330 /nfs/dbraw/zinc/22/33/30/525223330.db2.gz HFBANVWCHGKXON-UHFFFAOYSA-N 0 0 425.532 5.018 50 0 IKAARN Cc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1Cl ZINC000021915521 525228188 /nfs/dbraw/zinc/22/81/88/525228188.db2.gz BZFHTPSREHYYTJ-UHFFFAOYSA-N 0 0 433.939 5.737 50 0 IKAARN Cc1cc(NC(=O)[C@H](SCc2nc(-c3ccccc3Cl)no2)c2ccccc2)no1 ZINC000012906665 525230046 /nfs/dbraw/zinc/23/00/46/525230046.db2.gz DBKVCMRBAPSLGJ-LJQANCHMSA-N 0 0 440.912 5.300 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC ZINC000021728872 525237205 /nfs/dbraw/zinc/23/72/05/525237205.db2.gz IGNFCNXGFLMUAD-NRFANRHFSA-N 0 0 439.515 5.339 50 0 IKAARN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nn1Cc1ccccc1C ZINC000020616293 525241301 /nfs/dbraw/zinc/24/13/01/525241301.db2.gz JQKFXXCWCIBBBS-UHFFFAOYSA-N 0 0 441.560 5.509 50 0 IKAARN Cc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 ZINC000020677078 525242419 /nfs/dbraw/zinc/24/24/19/525242419.db2.gz IAQHQTAHENHFRS-NTKDMRAZSA-N 0 0 438.531 5.018 50 0 IKAARN Cc1cc(NC(=O)c2ccc(CSc3nnc4n3CCCCC4)cc2)ccc1Cl ZINC000012568100 525246143 /nfs/dbraw/zinc/24/61/43/525246143.db2.gz NTZFVDKFNRLGIG-UHFFFAOYSA-N 0 0 426.973 5.511 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000021791212 525247531 /nfs/dbraw/zinc/24/75/31/525247531.db2.gz HXYVQPRFAKGLJC-NRFANRHFSA-N 0 0 448.473 5.320 50 0 IKAARN Cc1ccc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1Cl ZINC000020617327 525249244 /nfs/dbraw/zinc/24/92/44/525249244.db2.gz VBELTYNGNYERDA-AWEZNQCLSA-N 0 0 431.323 5.259 50 0 IKAARN Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(-c2nc3cc(Cl)ccc3o2)c1O ZINC000012856569 525250058 /nfs/dbraw/zinc/25/00/58/525250058.db2.gz QVHWHXQNVFVIJP-UHFFFAOYSA-N 0 0 436.851 5.186 50 0 IKAARN COc1ccc([C@@H]2CCCN2Cn2nc(-c3cc(Cl)ccc3OC)[nH]c2=S)cc1 ZINC000012787484 525251617 /nfs/dbraw/zinc/25/16/17/525251617.db2.gz ITUZMLGFRVCXPT-SFHVURJKSA-N 0 0 430.961 5.073 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021893878 525251567 /nfs/dbraw/zinc/25/15/67/525251567.db2.gz OSYDYFTUFGXCAM-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000032936138 525251904 /nfs/dbraw/zinc/25/19/04/525251904.db2.gz UVOITCKJYVJGDD-SFHVURJKSA-N 0 0 425.941 5.335 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Br)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441712 525252286 /nfs/dbraw/zinc/25/22/86/525252286.db2.gz PWVDRRLUCHGDKD-UHFFFAOYSA-N 0 0 439.338 5.319 50 0 IKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000024467886 525254103 /nfs/dbraw/zinc/25/41/03/525254103.db2.gz WFHKOFJCNSZKAP-UHFFFAOYSA-N 0 0 442.587 5.867 50 0 IKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000012914022 525254448 /nfs/dbraw/zinc/25/44/48/525254448.db2.gz ZLFWEFNTFDZPPA-LBPRGKRZSA-N 0 0 433.327 5.155 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)c(C)c1 ZINC000011916319 525256692 /nfs/dbraw/zinc/25/66/92/525256692.db2.gz HEZMFZCRTQXSPR-UHFFFAOYSA-N 0 0 446.345 5.540 50 0 IKAARN Cc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000017097186 525267566 /nfs/dbraw/zinc/26/75/66/525267566.db2.gz OWGBRKACGDQVAO-UHFFFAOYSA-N 0 0 430.617 5.648 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000012192872 525270511 /nfs/dbraw/zinc/27/05/11/525270511.db2.gz SBGXBLYDTBIBGK-OFNKIYASSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCc2cccs2)c(F)c1 ZINC000012302581 525277725 /nfs/dbraw/zinc/27/77/25/525277725.db2.gz LDIYTFFOFYNVHO-AREMUKBSSA-N 0 0 448.563 5.874 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021891995 525281038 /nfs/dbraw/zinc/28/10/38/525281038.db2.gz YKQDDTLTPLUGNZ-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021892251 525281438 /nfs/dbraw/zinc/28/14/38/525281438.db2.gz PZFRXAGFILDRPJ-HHHXNRCGSA-N 0 0 437.543 5.343 50 0 IKAARN Cc1ccc(NCc2cc3ccc(C)cc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 ZINC000020940178 525284000 /nfs/dbraw/zinc/28/40/00/525284000.db2.gz VTBDQDZZXFRHSG-UHFFFAOYSA-N 0 0 445.950 5.523 50 0 IKAARN COc1ccc([C@@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446969 525284166 /nfs/dbraw/zinc/28/41/66/525284166.db2.gz BKARIVRTTVHMED-DQEYMECFSA-N 0 0 432.004 5.088 50 0 IKAARN Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 ZINC000015832830 525305359 /nfs/dbraw/zinc/30/53/59/525305359.db2.gz WKHOITCRHDWSJE-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F ZINC000012788197 525315327 /nfs/dbraw/zinc/31/53/27/525315327.db2.gz WRVPBSCXGMQRFE-SFHVURJKSA-N 0 0 429.495 5.237 50 0 IKAARN Cc1ccccc1OCc1nnc(S[C@@H](C)c2nc(C(C)C)no2)n1-c1ccccc1 ZINC000012527622 525317448 /nfs/dbraw/zinc/31/74/48/525317448.db2.gz XIEWBHLYUXHIJV-KRWDZBQOSA-N 0 0 435.553 5.514 50 0 IKAARN Cc1ccc(Nc2nc(C)c(NC(=O)c3cccc(F)c3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000021152986 525325710 /nfs/dbraw/zinc/32/57/10/525325710.db2.gz TYPGRPMLGRZFHU-UHFFFAOYSA-N 0 0 441.510 6.280 50 0 IKAARN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2)c1ccccc1 ZINC000020734759 525335208 /nfs/dbraw/zinc/33/52/08/525335208.db2.gz MKTYSXJXGOHZDX-IKMPRTQCSA-N 0 0 434.948 5.916 50 0 IKAARN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C12CC3CC(CC(C3)C1)C2 ZINC000020385093 525335295 /nfs/dbraw/zinc/33/52/95/525335295.db2.gz QQSCANGJPYZSLB-VTKOLAJRSA-N 0 0 432.589 5.738 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578427 525343549 /nfs/dbraw/zinc/34/35/49/525343549.db2.gz UWDNCGKTLQSNPH-UHFFFAOYSA-N 0 0 441.000 5.545 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2cccc(C)c2C)N2Cc3ccccc3C2=O)cc1OC ZINC000020561080 525344233 /nfs/dbraw/zinc/34/42/33/525344233.db2.gz ACZTVVZSTCBPFY-QHCPKHFHSA-N 0 0 444.531 5.047 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2cc(C)ccc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000020561168 525344482 /nfs/dbraw/zinc/34/44/82/525344482.db2.gz GVWADUOXVSFSMU-QHCPKHFHSA-N 0 0 444.531 5.047 50 0 IKAARN C[C@@H](NC(=O)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)c1ccccc1 ZINC000035181046 525344602 /nfs/dbraw/zinc/34/46/02/525344602.db2.gz RHNRVWRMSGDWEO-LJQANCHMSA-N 0 0 431.511 5.149 50 0 IKAARN Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(Br)c1 ZINC000012805342 525380273 /nfs/dbraw/zinc/38/02/73/525380273.db2.gz BYYKLLYEUZLOOS-UHFFFAOYSA-N 0 0 445.382 5.152 50 0 IKAARN COc1ccc([C@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000015413040 525383557 /nfs/dbraw/zinc/38/35/57/525383557.db2.gz RIZLBOCTAFKXCN-SANMLTNESA-N 0 0 428.532 5.050 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Cl)c1 ZINC000021894064 525395667 /nfs/dbraw/zinc/39/56/67/525395667.db2.gz SFGDAEOBMQEVDS-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1C=C1SC(=S)NC1=O ZINC000017138623 525396380 /nfs/dbraw/zinc/39/63/80/525396380.db2.gz FPYPMIFTPVAAGV-VKIDYWOHSA-N 0 0 441.577 6.803 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)cc1F ZINC000021536867 525396965 /nfs/dbraw/zinc/39/69/65/525396965.db2.gz TXUFLCKGURNKDJ-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Cl)c1C ZINC000021894222 525397052 /nfs/dbraw/zinc/39/70/52/525397052.db2.gz GSXZJMLVHSSNGF-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c(OC)c1 ZINC000021728864 525402735 /nfs/dbraw/zinc/40/27/35/525402735.db2.gz JPNFPZKVDLJLPV-JOCHJYFZSA-N 0 0 439.515 5.339 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2c2c(F)c(F)c(F)c(F)c2F)c(OC)c1 ZINC000012419981 525406208 /nfs/dbraw/zinc/40/62/08/525406208.db2.gz DHKUDHMOZCNDHR-MRXNPFEDSA-N 0 0 448.391 5.755 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000012311913 525406408 /nfs/dbraw/zinc/40/64/08/525406408.db2.gz JWDWZEZMBQUAPC-HSZRJFAPSA-N 0 0 442.544 5.042 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc3ccccc32)cc1 ZINC000012623577 525407413 /nfs/dbraw/zinc/40/74/13/525407413.db2.gz MDNCPAREZZJWRZ-AREMUKBSSA-N 0 0 436.511 5.605 50 0 IKAARN COc1ccc([C@H]2CCN(Cc3cccc(OCCO)c3)c3ccccc3S2)cc1C ZINC000012470215 525420766 /nfs/dbraw/zinc/42/07/66/525420766.db2.gz YQJVVMDFOQSFAG-RUZDIDTESA-N 0 0 435.589 5.618 50 0 IKAARN Cc1ccc(OCCOC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 ZINC000033014056 525422851 /nfs/dbraw/zinc/42/28/51/525422851.db2.gz HDZMKZLZMFWGDO-UHFFFAOYSA-N 0 0 446.572 5.416 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccccc1C ZINC000017121915 525424498 /nfs/dbraw/zinc/42/44/98/525424498.db2.gz RDLDPDBJDUZXAR-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1cc(C)ccc1C ZINC000017026432 525428558 /nfs/dbraw/zinc/42/85/58/525428558.db2.gz NDGPNQWWBWXEIP-UHFFFAOYSA-N 0 0 435.568 6.267 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(C)c1 ZINC000017135405 525429315 /nfs/dbraw/zinc/42/93/15/525429315.db2.gz YLVDPUAFPOGPMU-UHFFFAOYSA-N 0 0 437.996 6.473 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3C)cc2c1[C@H](Nc1ccccn1)c1ccccn1 ZINC000021805841 525430173 /nfs/dbraw/zinc/43/01/73/525430173.db2.gz IOSIQQGHXCADAC-HHHXNRCGSA-N 0 0 447.542 6.029 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000012192875 525432202 /nfs/dbraw/zinc/43/22/02/525432202.db2.gz SBGXBLYDTBIBGK-NFBKMPQASA-N 0 0 435.321 5.700 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)nc2ccccc12 ZINC000012311304 525433660 /nfs/dbraw/zinc/43/36/60/525433660.db2.gz JUCRPORITXBABG-UHFFFAOYSA-N 0 0 441.600 6.821 50 0 IKAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)C1 ZINC000012228815 525433910 /nfs/dbraw/zinc/43/39/10/525433910.db2.gz YLPILVUSTREZFH-DEOSSOPVSA-N 0 0 436.559 5.244 50 0 IKAARN Cc1cc(SCC(=O)NCc2ccc(F)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000033301564 525434181 /nfs/dbraw/zinc/43/41/81/525434181.db2.gz QNCCGGUOAZXNQP-UHFFFAOYSA-N 0 0 435.446 5.018 50 0 IKAARN COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(=S)NCc2ccccc2)cc1 ZINC000012340728 525437136 /nfs/dbraw/zinc/43/71/36/525437136.db2.gz JFODARZXLSRAHZ-ZCYQVOJMSA-N 0 0 427.573 5.093 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NCc2ccco2)cc1 ZINC000020938878 525437187 /nfs/dbraw/zinc/43/71/87/525437187.db2.gz KAMYHODUSADONU-QHCPKHFHSA-N 0 0 435.911 5.280 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000021880013 525437945 /nfs/dbraw/zinc/43/79/45/525437945.db2.gz XLQUERHYHIRXLA-VWLOTQADSA-N 0 0 441.487 5.085 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021879985 525438261 /nfs/dbraw/zinc/43/82/61/525438261.db2.gz MDUCUCNSQJWTEA-DEOSSOPVSA-N 0 0 433.458 5.634 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000021715555 525438527 /nfs/dbraw/zinc/43/85/27/525438527.db2.gz LMUDRZIWOUZCLE-SANMLTNESA-N 0 0 425.532 5.030 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2OC)cc1 ZINC000021879905 525438643 /nfs/dbraw/zinc/43/86/43/525438643.db2.gz OIOQNNZXASNPDE-VWLOTQADSA-N 0 0 427.504 5.365 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)cc1C ZINC000020454998 525438994 /nfs/dbraw/zinc/43/89/94/525438994.db2.gz UJCIPDXIDCSKPT-MHZLTWQESA-N 0 0 449.558 5.213 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000012447840 525439210 /nfs/dbraw/zinc/43/92/10/525439210.db2.gz SISSIOUECFLRBO-MHZLTWQESA-N 0 0 425.532 5.071 50 0 biogenic,in-vitro IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@H](C)Oc2ccccc2F)o1 ZINC000009580873 525440889 /nfs/dbraw/zinc/44/08/89/525440889.db2.gz MQQOTKMBSLWEGF-UONOGXRCSA-N 0 0 425.485 5.502 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1ccc(-c2ccc(F)cc2)o1)c1c(C)[nH]c2ccccc21 ZINC000015016315 525441822 /nfs/dbraw/zinc/44/18/22/525441822.db2.gz AZIDVGOZAFHUPO-UHFFFAOYSA-N 0 0 434.514 7.845 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000021782165 525442906 /nfs/dbraw/zinc/44/29/06/525442906.db2.gz SFSHPYDVHUJKFJ-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000021892013 525443347 /nfs/dbraw/zinc/44/33/47/525443347.db2.gz YRMDHAHJXRXYKM-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000021891975 525443386 /nfs/dbraw/zinc/44/33/86/525443386.db2.gz VKFMFQJBQGSERV-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(C)c1C ZINC000020216421 525445262 /nfs/dbraw/zinc/44/52/62/525445262.db2.gz LCCNUOAKYDDNHX-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020677712 525446851 /nfs/dbraw/zinc/44/68/51/525446851.db2.gz FOHYXUZZIWGCGD-HHHXNRCGSA-N 0 0 439.559 5.009 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Cl)c1C ZINC000021894217 525448780 /nfs/dbraw/zinc/44/87/80/525448780.db2.gz GSXZJMLVHSSNGF-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000012600009 525478651 /nfs/dbraw/zinc/47/86/51/525478651.db2.gz KRQUMOUOMNYOPS-MRXNPFEDSA-N 0 0 426.310 5.956 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(F)cc1)[C@H]3c1ccc(C)cc1 ZINC000021880192 525480755 /nfs/dbraw/zinc/48/07/55/525480755.db2.gz QSSASFQBQRCHKE-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCc1ccccc1)[C@@H]3c1ccc(F)cc1 ZINC000021779836 525481443 /nfs/dbraw/zinc/48/14/43/525481443.db2.gz HZYJDFFPVJZHDI-HHHXNRCGSA-N 0 0 428.507 5.423 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCc1ccccc1)[C@H]3c1ccc(F)cc1 ZINC000021779840 525481961 /nfs/dbraw/zinc/48/19/61/525481961.db2.gz HZYJDFFPVJZHDI-MHZLTWQESA-N 0 0 428.507 5.423 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1)[C@H]3c1ccc(F)cc1 ZINC000021880121 525482492 /nfs/dbraw/zinc/48/24/92/525482492.db2.gz ROSXDGYWBZKKSS-VWLOTQADSA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(OC)c1)[C@@H]3c1ccc(F)cc1 ZINC000021779855 525482638 /nfs/dbraw/zinc/48/26/38/525482638.db2.gz BUJQUYOSWUERJK-RUZDIDTESA-N 0 0 430.479 5.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1OC)[C@H]3c1ccc(C)cc1 ZINC000021880148 525482748 /nfs/dbraw/zinc/48/27/48/525482748.db2.gz VQQMXIJSOSMKOP-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(N(C)C)c1)[C@H]3c1ccc(F)cc1 ZINC000021779965 525482952 /nfs/dbraw/zinc/48/29/52/525482952.db2.gz UZZTWZWVGSUGTN-SANMLTNESA-N 0 0 443.522 5.170 50 0 IKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccccc2)s1 ZINC000035476859 525483812 /nfs/dbraw/zinc/48/38/12/525483812.db2.gz ZJIDHXLBYLKXMG-QHCPKHFHSA-N 0 0 443.528 5.634 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(OC)c1)[C@H]3c1ccc(C)cc1 ZINC000021880150 525483917 /nfs/dbraw/zinc/48/39/17/525483917.db2.gz ZFCYRKRVTUODJL-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN Cc1c(-c2ccc(C)cc2)nn(S(=O)(=O)c2ccc(Cl)cc2)c1-c1ccc(C)cc1 ZINC000020617859 525506957 /nfs/dbraw/zinc/50/69/57/525506957.db2.gz MXYAOYFPUGMJCB-UHFFFAOYSA-N 0 0 436.964 6.033 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cccc(C)c2)cc1 ZINC000016309805 525508744 /nfs/dbraw/zinc/50/87/44/525508744.db2.gz DNDSSCLYHKAMRC-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2F)cc1 ZINC000016309810 525509316 /nfs/dbraw/zinc/50/93/16/525509316.db2.gz AMQOCYACTSWILF-UHFFFAOYSA-N 0 0 440.540 5.092 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncn(Cc3cc(=O)oc4cc(C)c(C)cc34)c(=O)c12 ZINC000017130487 525509521 /nfs/dbraw/zinc/50/95/21/525509521.db2.gz PDGRWVFZQBVXFS-UHFFFAOYSA-N 0 0 428.513 5.205 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2C)C2CCCCC2)cc1 ZINC000035979887 525514707 /nfs/dbraw/zinc/51/47/07/525514707.db2.gz CGZVWPOXUKQOJF-UHFFFAOYSA-N 0 0 437.609 5.072 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C ZINC000012686431 525527000 /nfs/dbraw/zinc/52/70/00/525527000.db2.gz AIJWWTCXZQUQBD-QFIPXVFZSA-N 0 0 449.016 5.201 50 0 IKAARN C[C@H](N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Br)cc1)c1ccccc1 ZINC000021367038 525546987 /nfs/dbraw/zinc/54/69/87/525546987.db2.gz PSSFRUUBWKMUPP-HRAATJIYSA-N 0 0 434.337 5.939 50 0 IKAARN Cc1c(C(=O)N2CCCC[C@@H]2c2cccnc2)sc2ncnc(N3CCCCCC3)c12 ZINC000012573008 525573310 /nfs/dbraw/zinc/57/33/10/525573310.db2.gz BSDXOEHYTNBZJT-LJQANCHMSA-N 0 0 435.597 5.143 50 0 IKAARN CSCC[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000033916946 525586467 /nfs/dbraw/zinc/58/64/67/525586467.db2.gz PNHJBKYKRCQHBJ-WIJSZAOYSA-N 0 0 441.600 5.708 50 0 IKAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)CCC(F)(F)F)C2 ZINC000012134395 525587990 /nfs/dbraw/zinc/58/79/90/525587990.db2.gz GWZLPOKVBOUWTA-LJQANCHMSA-N 0 0 428.454 5.281 50 0 IKAARN Cc1c(C(=O)NC2CCCCC2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274509 525603129 /nfs/dbraw/zinc/60/31/29/525603129.db2.gz QRFDOBBISDJFIJ-UHFFFAOYSA-N 0 0 435.915 5.100 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4ccc(C)c(Cl)c4)c3)nc2c1 ZINC000021100184 525607198 /nfs/dbraw/zinc/60/71/98/525607198.db2.gz NGDKPWSJJSFJHE-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900701 525607919 /nfs/dbraw/zinc/60/79/19/525607919.db2.gz AVGLGQDPQQDWLJ-UHFFFAOYSA-N 0 0 435.564 6.420 50 0 biogenic IKAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C(C)(C)C)cc2)N(c2nccs2)C1=O ZINC000009253517 525609124 /nfs/dbraw/zinc/60/91/24/525609124.db2.gz AQFRYHVALHOLFK-HXUWFJFHSA-N 0 0 446.528 5.305 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CN(Cc2ccccc2F)C1=O ZINC000035884555 525611177 /nfs/dbraw/zinc/61/11/77/525611177.db2.gz LMMPAGWDBACHTA-HNNXBMFYSA-N 0 0 438.886 5.041 50 0 IKAARN Cc1ccn2cc(C(=O)N3CCC[C@@H](C(=O)c4ccc(-c5ccccc5)c(F)c4)C3)nc2c1 ZINC000012432864 525614109 /nfs/dbraw/zinc/61/41/09/525614109.db2.gz XDBNSXUNNFHYKR-OAQYLSRUSA-N 0 0 441.506 5.184 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(CCC(C)C)C3=O)o1 ZINC000015675739 525617899 /nfs/dbraw/zinc/61/78/99/525617899.db2.gz HEVQAVCQYLHSJT-RUZDIDTESA-N 0 0 427.589 5.032 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)c3csc(COc4ccc(F)cc4)n3)ccc2c1 ZINC000012899947 525625192 /nfs/dbraw/zinc/62/51/92/525625192.db2.gz JROZWJJWXRSFFI-UHFFFAOYSA-N 0 0 436.508 5.295 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490176 525630401 /nfs/dbraw/zinc/63/04/01/525630401.db2.gz GWPKPBGBPYXNKS-UHFFFAOYSA-N 0 0 445.950 5.490 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCc2ccccc2Cl)cc1 ZINC000012419406 525634439 /nfs/dbraw/zinc/63/44/39/525634439.db2.gz CUMPBYUKZIXIRV-UHFFFAOYSA-N 0 0 428.897 5.341 50 0 IKAARN Cc1c(C(=O)N[C@@H](C)c2ccco2)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000012036187 525634657 /nfs/dbraw/zinc/63/46/57/525634657.db2.gz JNKHPOMLXBAFQA-HNNXBMFYSA-N 0 0 445.548 5.220 50 0 IKAARN Cc1c(C(=O)Nc2cc(C)ccc2C)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490039 525650727 /nfs/dbraw/zinc/65/07/27/525650727.db2.gz JZSRMTJVZBGSBM-UHFFFAOYSA-N 0 0 425.532 5.776 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274508 525655386 /nfs/dbraw/zinc/65/53/86/525655386.db2.gz YOIBKXPRDVBVQW-UHFFFAOYSA-N 0 0 443.894 5.598 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)cc3Cl)sc2c1 ZINC000021660623 525657306 /nfs/dbraw/zinc/65/73/06/525657306.db2.gz JVTGCYFEOFYVGD-AWEZNQCLSA-N 0 0 442.903 5.066 50 0 IKAARN COc1ccc2nc(/C=C/c3csc(N(C(C)=O)c4cccc(C)c4C)n3)sc2c1 ZINC000012783751 525658357 /nfs/dbraw/zinc/65/83/57/525658357.db2.gz LDOKHOKZOWPFDE-DHZHZOJOSA-N 0 0 435.574 6.233 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2c(C)c1 ZINC000013946105 525668708 /nfs/dbraw/zinc/66/87/08/525668708.db2.gz WAANOHAWUPOSJO-UHFFFAOYSA-N 0 0 434.923 6.561 50 0 IKAARN Cc1cc2nc(/C=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)sc2cc1C ZINC000012660873 525668785 /nfs/dbraw/zinc/66/87/85/525668785.db2.gz MEARAIDKJXGGBL-OUKQBFOZSA-N 0 0 447.563 7.682 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4C)cc3)n2)cc1 ZINC000032999000 525669606 /nfs/dbraw/zinc/66/96/06/525669606.db2.gz GDKDNFPGUKIPDD-UHFFFAOYSA-N 0 0 427.529 5.253 50 0 IKAARN COc1ccc2nc(NC(=O)c3cc4ccccc4c(Br)c3OC)sc2c1 ZINC000001066004 525675835 /nfs/dbraw/zinc/67/58/35/525675835.db2.gz NRZBRLDBCRRAJH-UHFFFAOYSA-N 0 0 443.322 5.482 50 0 IKAARN Cc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000041154332 525675901 /nfs/dbraw/zinc/67/59/01/525675901.db2.gz QGAMYZSYJMHHKL-UHFFFAOYSA-N 0 0 425.513 6.827 50 0 IKAARN Cc1cc2nc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)sc2c(C)c1 ZINC000009543742 525677016 /nfs/dbraw/zinc/67/70/16/525677016.db2.gz VJTPMXWEYOMMMK-UHFFFAOYSA-N 0 0 443.572 5.668 50 0 IKAARN Cc1c(C)n(-c2ccc(F)cc2)c2nc(C)nc(Nc3ccc(Br)cc3F)c12 ZINC000032960546 525678918 /nfs/dbraw/zinc/67/89/18/525678918.db2.gz HXOFDBPRCZTUKG-UHFFFAOYSA-N 0 0 443.295 6.130 50 0 IKAARN Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(Cc4ccccc4)nc3c12 ZINC000021801677 525680106 /nfs/dbraw/zinc/68/01/06/525680106.db2.gz YQJLVEIDVBVROI-UHFFFAOYSA-N 0 0 432.325 5.038 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2F)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012323062 525680276 /nfs/dbraw/zinc/68/02/76/525680276.db2.gz BAKMRIISGQYKCQ-UHFFFAOYSA-N 0 0 428.529 5.218 50 0 IKAARN Cc1c(C)n(C2CCCC2)c(NC(=O)c2ccncc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012407813 525680748 /nfs/dbraw/zinc/68/07/48/525680748.db2.gz BRUNEZJPBMLEBN-UHFFFAOYSA-N 0 0 437.565 5.009 50 0 IKAARN COc1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nc2c1 ZINC000012381188 525682507 /nfs/dbraw/zinc/68/25/07/525682507.db2.gz RFGSTVZWYLHBFH-UHFFFAOYSA-N 0 0 436.895 5.953 50 0 IKAARN COc1ccc2oc(=O)c(-c3nc(-c4ccccc4)sc3-c3ccc(C)cc3)cc2c1 ZINC000012565205 525683642 /nfs/dbraw/zinc/68/36/42/525683642.db2.gz LIPLZZWUKIMQEF-UHFFFAOYSA-N 0 0 425.509 6.568 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccco2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012409818 525685709 /nfs/dbraw/zinc/68/57/09/525685709.db2.gz ARHQJDILNLJMLN-UHFFFAOYSA-N 0 0 448.544 5.140 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3)n[nH]2)c1 ZINC000023437819 525699001 /nfs/dbraw/zinc/69/90/01/525699001.db2.gz NTWLISDNUKHXMM-LJQANCHMSA-N 0 0 425.532 5.503 50 0 IKAARN COc1cccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)no2)c1 ZINC000036005548 525705124 /nfs/dbraw/zinc/70/51/24/525705124.db2.gz BOWRHNDUNPGTRX-UHFFFAOYSA-N 0 0 432.907 5.846 50 0 IKAARN COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)c1 ZINC000036617301 525705334 /nfs/dbraw/zinc/70/53/34/525705334.db2.gz ZSVGGYWFMJRLQE-UHFFFAOYSA-N 0 0 425.460 5.365 50 0 IKAARN COc1cccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)no2)c1 ZINC000036005557 525705485 /nfs/dbraw/zinc/70/54/85/525705485.db2.gz NLFXYZARBSRKPY-UHFFFAOYSA-N 0 0 432.907 5.846 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CN3CCC(C)CC3)n2)cc1 ZINC000021659578 525713306 /nfs/dbraw/zinc/71/33/06/525713306.db2.gz QZASFHQIWBQOIU-UHFFFAOYSA-N 0 0 434.971 5.443 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc3c2COc2ccc(F)cc2-3)cc1 ZINC000020847433 525714025 /nfs/dbraw/zinc/71/40/25/525714025.db2.gz UYXFDNJXMDOUCJ-UHFFFAOYSA-N 0 0 446.319 7.185 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000021147765 525714348 /nfs/dbraw/zinc/71/43/48/525714348.db2.gz PGMHKZPYEFOVFZ-UHFFFAOYSA-N 0 0 438.918 6.277 50 0 IKAARN Cc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3ccc(Cl)cc3)n2)cc1 ZINC000021659491 525714840 /nfs/dbraw/zinc/71/48/40/525714840.db2.gz SWHXXLXUJSFHHT-UHFFFAOYSA-N 0 0 428.923 5.823 50 0 IKAARN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cc(F)ccc3F)CC2)c1 ZINC000012443076 525715012 /nfs/dbraw/zinc/71/50/12/525715012.db2.gz GKRMMTNIXGMASN-UHFFFAOYSA-N 0 0 436.502 5.491 50 0 IKAARN CSCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000015995617 525719258 /nfs/dbraw/zinc/71/92/58/525719258.db2.gz UHMQLIYNPRHTCJ-UHFFFAOYSA-N 0 0 432.549 5.533 50 0 IKAARN COc1cccc(-c2nc(C(=O)N(C)Cc3ccccc3C(F)(F)F)cs2)c1OC ZINC000012930956 525719864 /nfs/dbraw/zinc/71/98/64/525719864.db2.gz WALLLAPIHDLUAP-UHFFFAOYSA-N 0 0 436.455 5.118 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NC3CCCCC3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C ZINC000035708618 525722350 /nfs/dbraw/zinc/72/23/50/525722350.db2.gz QIXXIGUFWXFOOX-UHFFFAOYSA-N 0 0 442.390 6.525 50 0 IKAARN Cc1c(C[NH2+]Cc2ccccc2Br)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000021024303 525724954 /nfs/dbraw/zinc/72/49/54/525724954.db2.gz HGXYNNUVYVGETR-UHFFFAOYSA-N 0 0 441.369 5.212 50 0 IKAARN COc1cccc(-c2nc(CN3CCc4c5ccccc5[nH]c4[C@H]3C(C)C)c(C)o2)c1OC ZINC000012589063 525725469 /nfs/dbraw/zinc/72/54/69/525725469.db2.gz SQAXSMYUDBJCCY-RUZDIDTESA-N 0 0 445.563 5.904 50 0 IKAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025556 525725615 /nfs/dbraw/zinc/72/56/15/525725615.db2.gz IRGPKUFUSRHPGQ-UHFFFAOYSA-N 0 0 427.342 5.153 50 0 IKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000021024595 525725903 /nfs/dbraw/zinc/72/59/03/525725903.db2.gz IBHLQVWVNPUODC-UHFFFAOYSA-N 0 0 440.971 5.582 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3cccc(F)c3)cc2)c1 ZINC000037385240 525727523 /nfs/dbraw/zinc/72/75/23/525727523.db2.gz WTFWDGURVHBMMQ-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCc2ccc(F)cc2)c1 ZINC000032975068 525730193 /nfs/dbraw/zinc/73/01/93/525730193.db2.gz ZAFCZXKXJIMNLP-UHFFFAOYSA-N 0 0 447.485 5.075 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3Cl)no2)c(C)c1 ZINC000036012380 525730808 /nfs/dbraw/zinc/73/08/08/525730808.db2.gz AURASMMAOPJDKE-UHFFFAOYSA-N 0 0 448.925 6.594 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)ncn2)cc1 ZINC000033010590 525736974 /nfs/dbraw/zinc/73/69/74/525736974.db2.gz MTTYUPPLAICIOH-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)nn2)cc1 ZINC000035398099 525752699 /nfs/dbraw/zinc/75/26/99/525752699.db2.gz SGMIYYNQGBBQNZ-GOSISDBHSA-N 0 0 440.469 5.326 50 0 IKAARN COc1cccc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 ZINC000012603070 525754140 /nfs/dbraw/zinc/75/41/40/525754140.db2.gz RTAAOUUSMFTSJM-UHFFFAOYSA-N 0 0 441.862 5.284 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021856903 525758539 /nfs/dbraw/zinc/75/85/39/525758539.db2.gz ZRWQPLPYRFASMV-VWLOTQADSA-N 0 0 435.955 5.081 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902795 525758910 /nfs/dbraw/zinc/75/89/10/525758910.db2.gz WBYYVLJFPBSQMB-SANMLTNESA-N 0 0 449.982 5.471 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021527648 525760059 /nfs/dbraw/zinc/76/00/59/525760059.db2.gz OAAGGKJBFJMASW-RUZDIDTESA-N 0 0 437.971 5.185 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CCn1ccc(C(=O)Nc2cccc(Cl)c2C)n1 ZINC000020617272 525764332 /nfs/dbraw/zinc/76/43/32/525764332.db2.gz WSYLKZWPLAXABQ-UHFFFAOYSA-N 0 0 431.323 5.088 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000014495136 525768423 /nfs/dbraw/zinc/76/84/23/525768423.db2.gz GCKDRXHYKBUALR-NRFANRHFSA-N 0 0 427.331 5.802 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047542 525769486 /nfs/dbraw/zinc/76/94/86/525769486.db2.gz HNFLGPVXINMINQ-QHCPKHFHSA-N 0 0 437.008 6.768 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890924 525769853 /nfs/dbraw/zinc/76/98/53/525769853.db2.gz VVUQLDKMTLKVOL-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccccc3Br)o2)cc1C ZINC000021305237 525770172 /nfs/dbraw/zinc/77/01/72/525770172.db2.gz DTTWVPPBEJCHGE-MRXNPFEDSA-N 0 0 427.342 5.531 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891328 525770338 /nfs/dbraw/zinc/77/03/38/525770338.db2.gz DMJFYMIAPQNSQW-HSZRJFAPSA-N 0 0 433.964 6.638 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Br)cc3F)o2)cc1C ZINC000017053225 525774886 /nfs/dbraw/zinc/77/48/86/525774886.db2.gz JKVBUVPRTADYJU-UHFFFAOYSA-N 0 0 435.318 5.591 50 0 IKAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000020568077 525778247 /nfs/dbraw/zinc/77/82/47/525778247.db2.gz NYASSOTUFCPHOD-UHFFFAOYSA-N 0 0 428.941 5.021 50 0 IKAARN Cc1ccc(-c2csc(Cc3nc(O)c(CC(=O)Nc4ccccc4C)s3)n2)cc1 ZINC000012793424 525779854 /nfs/dbraw/zinc/77/98/54/525779854.db2.gz OHJNFCSTBRNYDS-LJQANCHMSA-N 0 0 435.574 5.039 50 0 IKAARN Cc1ccc(-c2csc(N(C(=O)CSc3nccn3C)c3cccc(C)c3)n2)cc1 ZINC000012548167 525781247 /nfs/dbraw/zinc/78/12/47/525781247.db2.gz ZYBCQVIWRHTAKO-UHFFFAOYSA-N 0 0 434.590 5.617 50 0 IKAARN COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2-c2cccc(Cl)c2)c1 ZINC000035524134 525785846 /nfs/dbraw/zinc/78/58/46/525785846.db2.gz DWJLQDJKBUJYSP-UHFFFAOYSA-N 0 0 425.897 5.164 50 0 IKAARN COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2-c2cc(Cl)ccc2C)c1 ZINC000035848318 525786162 /nfs/dbraw/zinc/78/61/62/525786162.db2.gz KKSDYWZLMGVFAQ-UHFFFAOYSA-N 0 0 439.924 5.473 50 0 IKAARN COc1cccc(C(=O)N(Cc2nccn2Cc2ccc(Cl)cc2Cl)CC2CC2)c1 ZINC000035979722 525791455 /nfs/dbraw/zinc/79/14/55/525791455.db2.gz ZWUPQCYSKQVAHA-UHFFFAOYSA-N 0 0 444.362 5.299 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000015677012 525795429 /nfs/dbraw/zinc/79/54/29/525795429.db2.gz LKTJZSNSBKUYIA-NDEPHWFRSA-N 0 0 443.591 5.285 50 0 IKAARN Cc1ccc(-c2nc(C)cc3nnc(SCC(=O)Nc4ccc(C(C)C)cc4)n32)cc1 ZINC000015829137 525803926 /nfs/dbraw/zinc/80/39/26/525803926.db2.gz VFWGFMYFHNCYSR-UHFFFAOYSA-N 0 0 431.565 5.262 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)c(C)c1 ZINC000012562123 525807260 /nfs/dbraw/zinc/80/72/60/525807260.db2.gz CXFZUIVACPGKBD-UHFFFAOYSA-N 0 0 441.984 5.098 50 0 IKAARN Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4cccc5ccccc54)C3)no2)cc1 ZINC000021724524 525809344 /nfs/dbraw/zinc/80/93/44/525809344.db2.gz NKCFNXDRGXIUNU-OAQYLSRUSA-N 0 0 426.520 5.049 50 0 IKAARN Cc1ccc(-c2nc(SCCCC(=O)c3ccc(F)cc3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000012555616 525817639 /nfs/dbraw/zinc/81/76/39/525817639.db2.gz IPASBZFJSXHAFB-UHFFFAOYSA-N 0 0 444.575 7.255 50 0 IKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)c3ccccc3F)c2)cc1 ZINC000037385577 525818131 /nfs/dbraw/zinc/81/81/31/525818131.db2.gz DHIULOOKTQGMRI-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cc1ccsc1C(=O)N(Cc1ccncc1)Cc1ccc(OC[C@H]2CC=CCC2)cc1 ZINC000012152409 525819314 /nfs/dbraw/zinc/81/93/14/525819314.db2.gz XBMMOUGIWNLGIC-QHCPKHFHSA-N 0 0 432.589 6.029 50 0 IKAARN Cc1ccsc1C(=O)N(Cc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1 ZINC000012208506 525819463 /nfs/dbraw/zinc/81/94/63/525819463.db2.gz AYZWGIYOFIGNKK-UHFFFAOYSA-N 0 0 446.547 6.012 50 0 IKAARN COc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1OC ZINC000016070065 525821892 /nfs/dbraw/zinc/82/18/92/525821892.db2.gz ULJOOWPICAMKPZ-IBGZPJMESA-N 0 0 434.923 5.400 50 0 IKAARN Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1-c1nc2ccccc2s1 ZINC000016250071 525825986 /nfs/dbraw/zinc/82/59/86/525825986.db2.gz OHYDHTFZGPYREJ-BMRADRMJSA-N 0 0 436.536 7.184 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000020807937 525826645 /nfs/dbraw/zinc/82/66/45/525826645.db2.gz UTVJXJAOJRMLQX-JQIJEIRASA-N 0 0 436.536 7.184 50 0 IKAARN COc1cccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)cc2)c1 ZINC000035928018 525834861 /nfs/dbraw/zinc/83/48/61/525834861.db2.gz PGTIFLDRDSTQRN-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cc(C)ccc3F)c2)c1 ZINC000035928069 525835479 /nfs/dbraw/zinc/83/54/79/525835479.db2.gz QAIDJZOWTFMJOE-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1cccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccccc2C(C)C)c1 ZINC000035927589 525836167 /nfs/dbraw/zinc/83/61/67/525836167.db2.gz QTERQZQYRRIDAH-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCSCc2ccccc2)cc1C ZINC000065478595 525839259 /nfs/dbraw/zinc/83/92/59/525839259.db2.gz NEWYUAOVYCNXST-UHFFFAOYSA-N 0 0 441.600 5.819 50 0 IKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4ccc5c(c4)OCCO5)n3)o2)cc1 ZINC000035446476 525843304 /nfs/dbraw/zinc/84/33/04/525843304.db2.gz AORPOPMRBKGBSP-UHFFFAOYSA-N 0 0 437.459 5.170 50 0 IKAARN Cc1ccc(-c2nnc(SCc3nc(C(C)C)no3)n2-c2ccc(Cl)cc2)cc1 ZINC000012606924 525856971 /nfs/dbraw/zinc/85/69/71/525856971.db2.gz NKTRBRGEYAJFBX-UHFFFAOYSA-N 0 0 425.945 5.695 50 0 IKAARN COc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1OC ZINC000012311548 525863991 /nfs/dbraw/zinc/86/39/91/525863991.db2.gz AJYPLPDJDYSEFA-UHFFFAOYSA-N 0 0 430.554 6.512 50 0 IKAARN Cc1c(NCC(=O)Nc2ccccc2C(C)C)cccc1C(=O)N1CCc2sccc2C1 ZINC000012767514 525866827 /nfs/dbraw/zinc/86/68/27/525866827.db2.gz SXNOCTSZYXZBFM-UHFFFAOYSA-N 0 0 447.604 5.429 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000021892747 525867264 /nfs/dbraw/zinc/86/72/64/525867264.db2.gz JCMUAPCTSDBGKM-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)cc1 ZINC000012866829 525868271 /nfs/dbraw/zinc/86/82/71/525868271.db2.gz FCNNEOBGLKPFGC-AHKZPQOWSA-N 0 0 449.554 6.083 50 0 biogenic IKAARN COc1cccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 ZINC000035588311 525876415 /nfs/dbraw/zinc/87/64/15/525876415.db2.gz ZWZSBPOHBHXCBB-UHFFFAOYSA-N 0 0 428.513 5.231 50 0 IKAARN C[C@H](OC(=O)C=Cc1cccc2cccnc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012925050 525878026 /nfs/dbraw/zinc/87/80/26/525878026.db2.gz MMWRKTMRZJGAER-VMEIHUARSA-N 0 0 430.504 5.047 50 0 IKAARN C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012596076 525885272 /nfs/dbraw/zinc/88/52/72/525885272.db2.gz GAGVHDJSHCKWMW-LBPRGKRZSA-N 0 0 432.303 5.341 50 0 IKAARN Cc1c([C@@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cnn1-c1ccccc1 ZINC000058158174 525887047 /nfs/dbraw/zinc/88/70/47/525887047.db2.gz DPEXSYREVIOVMD-MQMQVCBVSA-N 0 0 438.531 5.045 50 0 IKAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SC[C@H]2CCCO2)c(C)c1 ZINC000012555608 525898049 /nfs/dbraw/zinc/89/80/49/525898049.db2.gz CLUHPBKWPAXYJZ-JOCHJYFZSA-N 0 0 429.589 5.899 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2ccccc2F)cc1 ZINC000035847827 525901256 /nfs/dbraw/zinc/90/12/56/525901256.db2.gz GOEARXWCVRDMJJ-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN Cc1ccc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1C ZINC000012603315 525918222 /nfs/dbraw/zinc/91/82/22/525918222.db2.gz RFQKQCQDBOMJAM-UHFFFAOYSA-N 0 0 439.890 5.892 50 0 IKAARN Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000035727360 525923023 /nfs/dbraw/zinc/92/30/23/525923023.db2.gz DWXQFBGYCLFUTA-UHFFFAOYSA-N 0 0 441.600 6.004 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000012364859 525924512 /nfs/dbraw/zinc/92/45/12/525924512.db2.gz PTGJNHNSTIFVHY-CQSZACIVSA-N 0 0 426.299 6.813 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000012137058 525925451 /nfs/dbraw/zinc/92/54/51/525925451.db2.gz KGQZNHXAWYJMNA-OAHLLOKOSA-N 0 0 449.378 5.804 50 0 IKAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012932523 525925517 /nfs/dbraw/zinc/92/55/17/525925517.db2.gz YLPUXFKYDDMTCF-GJZGRUSLSA-N 0 0 445.382 5.232 50 0 IKAARN Cc1ccc(-n2nc(CSc3nc4ccccc4[nH]3)c(-c3ccccc3)c2N)c(C)c1 ZINC000012654147 525928009 /nfs/dbraw/zinc/92/80/09/525928009.db2.gz JIAXIYHWXRXUQC-UHFFFAOYSA-N 0 0 425.561 5.907 50 0 IKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CC(c1ccccc1)c1ccccc1)CO2 ZINC000020478431 525933179 /nfs/dbraw/zinc/93/31/79/525933179.db2.gz XJLKVHIDYJXEKA-UHFFFAOYSA-N 0 0 437.539 5.574 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000012875664 525936480 /nfs/dbraw/zinc/93/64/80/525936480.db2.gz JZACURQQNGPEQX-JTQLQIEISA-N 0 0 442.299 5.386 50 0 IKAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023455798 525949344 /nfs/dbraw/zinc/94/93/44/525949344.db2.gz QCWTZGBERRRRPU-LJQANCHMSA-N 0 0 443.522 5.473 50 0 IKAARN Cc1ccc(/C=C/C(=O)NC[C@@]2(C)C[C@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 ZINC000017102640 525951542 /nfs/dbraw/zinc/95/15/42/525951542.db2.gz FKJSNQKYYVGFEG-PNAZTGMHSA-N 0 0 438.568 5.033 50 0 IKAARN C[C@@H](Oc1ccccc1)c1nnc(SCCC(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000012851331 525952918 /nfs/dbraw/zinc/95/29/18/525952918.db2.gz OAUORMOFNBWWKL-LJQANCHMSA-N 0 0 444.560 5.528 50 0 IKAARN Cc1c2cc(Cl)ccc2sc1-c1csc(-c2ccc(C3SCCS3)cc2)n1 ZINC000012369452 525954292 /nfs/dbraw/zinc/95/42/92/525954292.db2.gz SHTCDBDXHRESQB-UHFFFAOYSA-N 0 0 446.087 8.132 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(C[C@@H](C)c1ccccc1)C3 ZINC000020610387 525961443 /nfs/dbraw/zinc/96/14/43/525961443.db2.gz JZRGADSHALLJLX-LJQANCHMSA-N 0 0 439.555 5.956 50 0 biogenic IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccc2[nH]ccc2c1)occ3-c1ccccc1 ZINC000012893779 525962824 /nfs/dbraw/zinc/96/28/24/525962824.db2.gz OZZHYKOUNSETSK-UHFFFAOYSA-N 0 0 448.478 6.177 50 0 biogenic IKAARN Cc1cnc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 ZINC000012774082 525966434 /nfs/dbraw/zinc/96/64/34/525966434.db2.gz PIIKDAJXFLWQSQ-AWEZNQCLSA-N 0 0 449.363 5.041 50 0 IKAARN Cc1cnc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 ZINC000012774086 525966617 /nfs/dbraw/zinc/96/66/17/525966617.db2.gz PIIKDAJXFLWQSQ-CQSZACIVSA-N 0 0 449.363 5.041 50 0 IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(CCc1cccc(F)c1)CO3 ZINC000020610096 525966743 /nfs/dbraw/zinc/96/67/43/525966743.db2.gz LMJBDRBGNISLHG-UHFFFAOYSA-N 0 0 429.491 5.226 50 0 biogenic IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000021600954 525967347 /nfs/dbraw/zinc/96/73/47/525967347.db2.gz SRUJNDCXNMMMKZ-NRFANRHFSA-N 0 0 429.907 5.801 50 0 IKAARN Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2Cl)cc1 ZINC000020617341 525972684 /nfs/dbraw/zinc/97/26/84/525972684.db2.gz WTZFERBIGAODFL-PNHLSOANSA-N 0 0 433.895 5.075 50 0 IKAARN Cc1c2ccccc2oc1-c1nnc(CSc2nnc(C3CC3)n2Cc2ccco2)o1 ZINC000012813235 525976908 /nfs/dbraw/zinc/97/69/08/525976908.db2.gz UAIAHVXMDFTPMN-UHFFFAOYSA-N 0 0 433.493 5.194 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1 ZINC000021891548 525982584 /nfs/dbraw/zinc/98/25/84/525982584.db2.gz IEJTZRRRCLJXGC-XMMPIXPASA-N 0 0 429.545 5.362 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000021888968 525983019 /nfs/dbraw/zinc/98/30/19/525983019.db2.gz PYDMSPIHDVNJJY-AREMUKBSSA-N 0 0 441.506 5.440 50 0 IKAARN Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)C3)n1 ZINC000012097474 525983962 /nfs/dbraw/zinc/98/39/62/525983962.db2.gz GKLZZWNQXVHXEV-XMMPIXPASA-N 0 0 449.554 5.012 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021025037 525984137 /nfs/dbraw/zinc/98/41/37/525984137.db2.gz LQBDPDATAFDRNL-UHFFFAOYSA-N 0 0 428.985 5.500 50 0 IKAARN CSc1ccc(CCNC(=O)CCc2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000015678435 525985056 /nfs/dbraw/zinc/98/50/56/525985056.db2.gz HTYXHCNCYWGFCO-UHFFFAOYSA-N 0 0 442.628 6.011 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)c2cccs2)cc1 ZINC000035949289 525987662 /nfs/dbraw/zinc/98/76/62/525987662.db2.gz MNIWBHIDAPRTGB-HSZRJFAPSA-N 0 0 445.588 5.123 50 0 IKAARN Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c(C)c1 ZINC000021784256 525988029 /nfs/dbraw/zinc/98/80/29/525988029.db2.gz FXHBNXZIHHGLIY-QGZVFWFLSA-N 0 0 425.941 5.219 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035949297 525988330 /nfs/dbraw/zinc/98/83/30/525988330.db2.gz DZBLZAVLKVXROY-XMMPIXPASA-N 0 0 433.596 5.184 50 0 IKAARN Cc1c2ccccc2sc1-c1csc(COc2ccc(C3SCCS3)cc2)n1 ZINC000012369461 525991466 /nfs/dbraw/zinc/99/14/66/525991466.db2.gz WRPICSVGCGFLSZ-UHFFFAOYSA-N 0 0 441.668 7.391 50 0 IKAARN CSc1ccc(CNC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000021109319 525996278 /nfs/dbraw/zinc/99/62/78/525996278.db2.gz GRLSSZBGEKOGBH-UHFFFAOYSA-N 0 0 440.638 5.208 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)Nc3ccc(CCO)cc3)c(=O)oc12 ZINC000012888074 525997099 /nfs/dbraw/zinc/99/70/99/525997099.db2.gz NSTKGVLZPKINCG-UHFFFAOYSA-N 0 0 447.531 5.170 50 0 biogenic IKAARN C[C@@H](Sc1nnc(CC2CCCC2)[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012154862 526000285 /nfs/dbraw/zinc/00/02/85/526000285.db2.gz GWGRUJXYLRSUCC-SNVBAGLBSA-N 0 0 432.899 5.329 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(C)cc4)nn3)c2)cc1 ZINC000032996994 526002717 /nfs/dbraw/zinc/00/27/17/526002717.db2.gz CNLHUFPGIHFKJP-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)C(=O)c1c[nH]c2ccccc21 ZINC000012740472 526003146 /nfs/dbraw/zinc/00/31/46/526003146.db2.gz PHRBYSXHWZCWST-GFCCVEGCSA-N 0 0 449.923 5.019 50 0 IKAARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(F)cc1Cl ZINC000012569376 526006665 /nfs/dbraw/zinc/00/66/65/526006665.db2.gz GCPUHGZRUZJVGW-SNVBAGLBSA-N 0 0 425.963 5.575 50 0 IKAARN C[C@@H](Sc1ncnc2ccccc21)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000021464973 526007340 /nfs/dbraw/zinc/00/73/40/526007340.db2.gz XABOQHPXFQVQDH-LLVKDONJSA-N 0 0 428.489 5.151 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000012930564 526008007 /nfs/dbraw/zinc/00/80/07/526008007.db2.gz LUOHLOWNFUDCTP-OAHLLOKOSA-N 0 0 437.544 5.666 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(Cl)c1Cl)C(N)=O ZINC000012587518 526008260 /nfs/dbraw/zinc/00/82/60/526008260.db2.gz NPIAOSBVGMMUSA-LBPRGKRZSA-N 0 0 449.407 5.505 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000012593358 526008563 /nfs/dbraw/zinc/00/85/63/526008563.db2.gz JJSQROYQVYRQGC-LBPRGKRZSA-N 0 0 441.919 5.976 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012679074 526008857 /nfs/dbraw/zinc/00/88/57/526008857.db2.gz CLPZUAQAFNMKCQ-MRXNPFEDSA-N 0 0 446.601 6.128 50 0 IKAARN C[C@H](Sc1nnc(-c2cccnc2)o1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000022149196 526010390 /nfs/dbraw/zinc/01/03/90/526010390.db2.gz QDMHWMCRHBNLIR-JTQLQIEISA-N 0 0 439.547 5.011 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012675491 526010318 /nfs/dbraw/zinc/01/03/18/526010318.db2.gz NGPNXNZMFPVWLQ-GFCCVEGCSA-N 0 0 435.578 5.309 50 0 IKAARN Cc1ccc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000021150721 526011030 /nfs/dbraw/zinc/01/10/30/526011030.db2.gz BATOZZBDIWWPAH-OAQYLSRUSA-N 0 0 432.474 5.620 50 0 IKAARN C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012698811 526012212 /nfs/dbraw/zinc/01/22/12/526012212.db2.gz CBHAFBZYEQVUGY-INIZCTEOSA-N 0 0 434.590 5.254 50 0 IKAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc(Br)cc1 ZINC000012738641 526013420 /nfs/dbraw/zinc/01/34/20/526013420.db2.gz QSSYHWQVVUNXLC-LBPRGKRZSA-N 0 0 448.411 5.391 50 0 IKAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000012554260 526014257 /nfs/dbraw/zinc/01/42/57/526014257.db2.gz JNOUMFJSCLPXCS-KBPBESRZSA-N 0 0 432.952 5.046 50 0 IKAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000016046135 526015110 /nfs/dbraw/zinc/01/51/10/526015110.db2.gz JFMIPYIQRPHMAN-DYVFJYSZSA-N 0 0 428.558 5.095 50 0 IKAARN Cc1cc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)c3c(C)noc3n2)c(C)o1 ZINC000023507495 526038245 /nfs/dbraw/zinc/03/82/45/526038245.db2.gz FZPCCNJMCBAEJW-CYBMUJFWSA-N 0 0 425.435 5.519 50 0 IKAARN Cc1cc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)c3c(C)noc3n2)c(C)s1 ZINC000021996866 526039978 /nfs/dbraw/zinc/03/99/78/526039978.db2.gz JHQUPVGSQQNMSM-UHFFFAOYSA-N 0 0 427.555 5.179 50 0 IKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)COCc4ccccc4)nc3c2)ccc1F ZINC000034908075 526042035 /nfs/dbraw/zinc/04/20/35/526042035.db2.gz PUSAMXUKLLVQBJ-XMMPIXPASA-N 0 0 444.506 5.823 50 0 IKAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C(=O)O2)cc1 ZINC000015838260 526042342 /nfs/dbraw/zinc/04/23/42/526042342.db2.gz RNJVWGRROGDZIJ-OAQYLSRUSA-N 0 0 425.406 5.720 50 0 IKAARN Cc1cc(-c2ccccc2)nc(SCc2csc(CC(=O)NCc3ccccc3)n2)n1 ZINC000012851220 526043225 /nfs/dbraw/zinc/04/32/25/526043225.db2.gz UKRYLNFJWNUQIN-UHFFFAOYSA-N 0 0 446.601 5.060 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000015724716 526046243 /nfs/dbraw/zinc/04/62/43/526046243.db2.gz JUBQBENOGAUDCO-VWLOTQADSA-N 0 0 429.951 6.618 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCCC(C)C)CCCC4)cc1 ZINC000021539431 526048967 /nfs/dbraw/zinc/04/89/67/526048967.db2.gz KOMTWMKUTKQWOP-VWLOTQADSA-N 0 0 447.648 6.387 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000033115629 526049028 /nfs/dbraw/zinc/04/90/28/526049028.db2.gz MOZCDJXSAILKRX-VWLOTQADSA-N 0 0 432.520 5.219 50 0 IKAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000023507439 526049003 /nfs/dbraw/zinc/04/90/03/526049003.db2.gz TZLOLCRGIJCHAC-SFHVURJKSA-N 0 0 446.497 6.439 50 0 IKAARN Cc1ccc(C(=O)Cn2c(Br)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000012447594 526051511 /nfs/dbraw/zinc/05/15/11/526051511.db2.gz DQMPGSANSJAVEY-UHFFFAOYSA-N 0 0 431.333 6.171 50 0 IKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)[C@@H](C)c2nccs2)c(C)s1 ZINC000012701741 526056830 /nfs/dbraw/zinc/05/68/30/526056830.db2.gz IDRQBBMWSPHQEH-HNNXBMFYSA-N 0 0 426.586 6.006 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)NCc4cccc(F)c4)cs3)cc2)c1 ZINC000034711963 526060534 /nfs/dbraw/zinc/06/05/34/526060534.db2.gz LTXNOGLGZBPMKB-UHFFFAOYSA-N 0 0 448.519 5.467 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000035448281 526065701 /nfs/dbraw/zinc/06/57/01/526065701.db2.gz YAVJLMKATQNKSH-AREMUKBSSA-N 0 0 437.568 6.159 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)Cc2ccc(F)cc2)cc1 ZINC000036012385 526073843 /nfs/dbraw/zinc/07/38/43/526073843.db2.gz GLSWVSRBZDNJCJ-UHFFFAOYSA-N 0 0 428.507 6.249 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccc(OCc3cccc(F)c3)cc2)Cc2ccccn2)s1 ZINC000011882432 526074292 /nfs/dbraw/zinc/07/42/92/526074292.db2.gz IDLIOVUPKMMJMX-UHFFFAOYSA-N 0 0 446.547 6.012 50 0 IKAARN Cc1cnc(NC(=O)CSc2nnc(-c3ccc(C)c(C)c3)n2-c2ccccc2)s1 ZINC000021805955 526076849 /nfs/dbraw/zinc/07/68/49/526076849.db2.gz CQBRDACINUTWDH-UHFFFAOYSA-N 0 0 435.578 5.047 50 0 IKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021889503 526077349 /nfs/dbraw/zinc/07/73/49/526077349.db2.gz ZZPZUCWROPSGHP-DEOSSOPVSA-N 0 0 429.545 5.607 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(N(C)C)c2)cc1 ZINC000021715575 526077424 /nfs/dbraw/zinc/07/74/24/526077424.db2.gz CQZCPCNLZQVLBE-SANMLTNESA-N 0 0 441.600 5.744 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561640 526077753 /nfs/dbraw/zinc/07/77/53/526077753.db2.gz ARYRJVRHRUXSRY-PXDATVDWSA-N 0 0 430.529 5.422 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C(=O)c2ccccc2)cc1 ZINC000012751970 526077888 /nfs/dbraw/zinc/07/78/88/526077888.db2.gz HRRJYLNVRVXNKB-DEOSSOPVSA-N 0 0 426.541 5.247 50 0 IKAARN CSc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891162 526078336 /nfs/dbraw/zinc/07/83/36/526078336.db2.gz XDUHLVMNUKQJJQ-LJQANCHMSA-N 0 0 438.603 5.287 50 0 IKAARN CSc1ccc([C@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000020733969 526078375 /nfs/dbraw/zinc/07/83/75/526078375.db2.gz RHZOQQKRAKCHHX-VWLOTQADSA-N 0 0 441.015 6.526 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccco1 ZINC000035945263 526087163 /nfs/dbraw/zinc/08/71/63/526087163.db2.gz BSDYQNBRHRXPTR-IBGZPJMESA-N 0 0 445.563 5.488 50 0 IKAARN C[C@@H](c1ccccc1)N(CCC(=O)Nc1nnc(-c2ccccc2)s1)C(=O)C1CCCC1 ZINC000035700704 526088026 /nfs/dbraw/zinc/08/80/26/526088026.db2.gz MAHXJWLROAJKMA-SFHVURJKSA-N 0 0 448.592 5.314 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009355415 526090591 /nfs/dbraw/zinc/09/05/91/526090591.db2.gz VCYKYQXSFNQKGG-AFJIDDCJSA-N 0 0 428.535 7.141 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902837 526096448 /nfs/dbraw/zinc/09/64/48/526096448.db2.gz BOFKLBCZMBJPMW-WINIVTDRSA-N 0 0 429.564 5.066 50 0 IKAARN C[C@@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)C(C)(C)C)[C@H](C)C2)cc2ccsc21 ZINC000035844289 526098249 /nfs/dbraw/zinc/09/82/49/526098249.db2.gz OQNCFEXXKVHLGX-MSOLQXFVSA-N 0 0 437.609 5.031 50 0 IKAARN C[C@H](c1ccccc1)n1cnc2c3cc(F)ccc3n(Cc3c(F)cccc3Cl)c2c1=O ZINC000021353648 526109916 /nfs/dbraw/zinc/10/99/16/526109916.db2.gz UNTDBCQBZPUTCQ-OAHLLOKOSA-N 0 0 449.888 5.940 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000021536190 526122414 /nfs/dbraw/zinc/12/24/14/526122414.db2.gz OHPFBWCQZQFBLN-VWLOTQADSA-N 0 0 443.547 6.475 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)c1 ZINC000021536869 526123072 /nfs/dbraw/zinc/12/30/72/526123072.db2.gz RJLZRVDXSVPKEM-SANMLTNESA-N 0 0 439.584 6.645 50 0 IKAARN COc1cccc(N(C(=O)CCc2ccc(OC)c(OC)c2)c2nc3ccccc3s2)c1 ZINC000013146000 526126693 /nfs/dbraw/zinc/12/66/93/526126693.db2.gz GNQJFLDQGSRYAX-UHFFFAOYSA-N 0 0 448.544 5.620 50 0 IKAARN Cc1cc(=O)c(C(=O)NC2CC2)c2n1-c1ccc(Cl)cc1S[C@@H](c1ccsc1)C2 ZINC000012149883 526128101 /nfs/dbraw/zinc/12/81/01/526128101.db2.gz LDPQPJXACLSOCL-LJQANCHMSA-N 0 0 442.993 5.143 50 0 IKAARN Cc1ccc2c(Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)cc(=O)oc2c1 ZINC000012795094 526131515 /nfs/dbraw/zinc/13/15/15/526131515.db2.gz DXKPIIYSQXXSMM-UHFFFAOYSA-N 0 0 434.904 5.242 50 0 IKAARN Cc1ccc2c(CSc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)cc(=O)oc2c1 ZINC000009663935 526132419 /nfs/dbraw/zinc/13/24/19/526132419.db2.gz QNHQSCVCGBRJOM-UHFFFAOYSA-N 0 0 444.487 5.232 50 0 IKAARN Cc1cc(=O)c(C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl ZINC000012611638 526132729 /nfs/dbraw/zinc/13/27/29/526132729.db2.gz GQXSLEYUIFSDOT-UHFFFAOYSA-N 0 0 431.879 5.239 50 0 IKAARN CSc1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000021166770 526134934 /nfs/dbraw/zinc/13/49/34/526134934.db2.gz QQSAFVPJFQRKDH-UHFFFAOYSA-N 0 0 435.979 5.330 50 0 IKAARN CSc1cccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1 ZINC000020939192 526137202 /nfs/dbraw/zinc/13/72/02/526137202.db2.gz NHRZAYOTQRDIBF-UHFFFAOYSA-N 0 0 436.562 5.200 50 0 IKAARN COc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c1 ZINC000035927227 526137947 /nfs/dbraw/zinc/13/79/47/526137947.db2.gz LTFJVPQEUUHXER-VWLOTQADSA-N 0 0 432.545 5.045 50 0 IKAARN COc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc2)c1 ZINC000035927182 526138414 /nfs/dbraw/zinc/13/84/14/526138414.db2.gz ZSIBKCKUORUZDU-MZNJEOGPSA-N 0 0 440.609 5.875 50 0 IKAARN COc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c1 ZINC000035927228 526139090 /nfs/dbraw/zinc/13/90/90/526139090.db2.gz LTFJVPQEUUHXER-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN CSc1cccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)c1 ZINC000035446318 526140208 /nfs/dbraw/zinc/14/02/08/526140208.db2.gz JIDNRJCSFMVQTQ-UHFFFAOYSA-N 0 0 429.480 5.951 50 0 IKAARN COc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c2)c1 ZINC000035927224 526140953 /nfs/dbraw/zinc/14/09/53/526140953.db2.gz NUOZAFXKALWFKT-OSPHWJPCSA-N 0 0 440.609 5.875 50 0 IKAARN Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C ZINC000002985309 526152240 /nfs/dbraw/zinc/15/22/40/526152240.db2.gz NMYSGVCZQZBYQG-UHFFFAOYSA-N 0 0 444.394 5.457 50 0 IKAARN Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012137128 526158087 /nfs/dbraw/zinc/15/80/87/526158087.db2.gz LSPXOCUVNCCXLQ-UZLBHIALSA-N 0 0 448.357 5.030 50 0 IKAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)CC(=O)Nc1ccccc1Cl ZINC000012814236 526161299 /nfs/dbraw/zinc/16/12/99/526161299.db2.gz ALJUUBYQTJKKKW-LBPRGKRZSA-N 0 0 438.837 5.040 50 0 IKAARN CSc1ccccc1NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000012762464 526165926 /nfs/dbraw/zinc/16/59/26/526165926.db2.gz IRVGKOLVPZQRGK-UHFFFAOYSA-N 0 0 439.537 5.015 50 0 IKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3Br)CC1)c1cccn1-2 ZINC000035399439 526172876 /nfs/dbraw/zinc/17/28/76/526172876.db2.gz KQYGIMWBZXVDMW-UHFFFAOYSA-N 0 0 436.353 5.105 50 0 biogenic IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)Nc3ccccc3)CC1)=N2 ZINC000034814457 526178113 /nfs/dbraw/zinc/17/81/13/526178113.db2.gz LFBPOOSXEJTYFL-UHFFFAOYSA-N 0 0 426.520 5.337 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012569537 526181108 /nfs/dbraw/zinc/18/11/08/526181108.db2.gz KRMHTMWWLANUCO-OSPHWJPCSA-N 0 0 447.629 5.525 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cc(F)cc(F)c2)c1 ZINC000021892293 526189016 /nfs/dbraw/zinc/18/90/16/526189016.db2.gz AAGWBYCHPVEFEO-RUZDIDTESA-N 0 0 445.469 5.901 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)c1 ZINC000021893790 526189418 /nfs/dbraw/zinc/18/94/18/526189418.db2.gz DIVHXCSVALVILN-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)c1 ZINC000033265493 526189562 /nfs/dbraw/zinc/18/95/62/526189562.db2.gz XHRHICGHKBJKRH-QHCPKHFHSA-N 0 0 435.593 6.171 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1OC ZINC000022504595 526194964 /nfs/dbraw/zinc/19/49/64/526194964.db2.gz HRBYPSYCPLZSCU-UHFFFAOYSA-N 0 0 437.521 5.002 50 0 IKAARN Cc1cc(C(=O)/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000017099225 526197701 /nfs/dbraw/zinc/19/77/01/526197701.db2.gz KXYXDQYSSYRGLN-PNHLSOANSA-N 0 0 434.879 5.598 50 0 IKAARN COc1cccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)c1 ZINC000033106327 526200502 /nfs/dbraw/zinc/20/05/02/526200502.db2.gz CIGPIWYEPBFEIX-UHFFFAOYSA-N 0 0 425.488 5.430 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000034145397 526209517 /nfs/dbraw/zinc/20/95/17/526209517.db2.gz FFAINGUAPNUNTI-CMKMFDCUSA-N 0 0 437.175 5.439 50 0 IKAARN COc1cccc(Nc2nn(CN(C)[C@@H](C)c3nc4ccccc4s3)c(=S)s2)c1 ZINC000012553609 526213171 /nfs/dbraw/zinc/21/31/71/526213171.db2.gz HEERJCLFOHGPQK-ZDUSSCGKSA-N 0 0 443.623 5.686 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)NC[C@@H](C)c1ccccc1)c2Sc1ccc(Cl)cc1 ZINC000020466695 526215252 /nfs/dbraw/zinc/21/52/52/526215252.db2.gz XZYSFXIRDNPMAL-QGZVFWFLSA-N 0 0 434.992 6.814 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1-c1nccs1 ZINC000012598840 526215972 /nfs/dbraw/zinc/21/59/72/526215972.db2.gz MUQYWCCEUHUAEE-UHFFFAOYSA-N 0 0 433.628 5.122 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1Cl ZINC000035400790 526216735 /nfs/dbraw/zinc/21/67/35/526216735.db2.gz XZKIFVOQJZRNKL-LJQANCHMSA-N 0 0 441.962 6.165 50 0 IKAARN Cc1ccc2c(c1)c1ncn(C[C@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000035400829 526216977 /nfs/dbraw/zinc/21/69/77/526216977.db2.gz VAGVLRMEAXHKRB-IBGZPJMESA-N 0 0 425.507 5.651 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1ccc(Cl)cc1 ZINC000035400848 526217895 /nfs/dbraw/zinc/21/78/95/526217895.db2.gz VCIIPQJJEDOXIC-UHFFFAOYSA-N 0 0 448.353 6.063 50 0 IKAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1NC(=O)c1ccco1 ZINC000012749077 526218320 /nfs/dbraw/zinc/21/83/20/526218320.db2.gz MBMMOFMUBOXLNS-UHFFFAOYSA-N 0 0 446.890 6.538 50 0 IKAARN CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 ZINC000020827205 526218497 /nfs/dbraw/zinc/21/84/97/526218497.db2.gz GMXAFXYKZAGVOZ-UHFFFAOYSA-N 0 0 433.602 5.036 50 0 IKAARN COc1cccc(OC)c1CNc1nc(C)c(-c2ccn(Cc3cccc(F)c3)n2)s1 ZINC000012213433 526221994 /nfs/dbraw/zinc/22/19/94/526221994.db2.gz ODNXSTAAGPVCHM-UHFFFAOYSA-N 0 0 438.528 5.132 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000035928418 526222696 /nfs/dbraw/zinc/22/26/96/526222696.db2.gz AGGWCKHBHHYTJY-RUZDIDTESA-N 0 0 431.561 5.092 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035928093 526222928 /nfs/dbraw/zinc/22/29/28/526222928.db2.gz CNAGIUBENUWSAT-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035928092 526223008 /nfs/dbraw/zinc/22/30/08/526223008.db2.gz CNAGIUBENUWSAT-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C(C)C)cc3)cc2)cc1 ZINC000035910390 526223083 /nfs/dbraw/zinc/22/30/83/526223083.db2.gz HDVDGITUQFRTKU-SANMLTNESA-N 0 0 430.573 6.149 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3ccc(F)cc3)c2)cc1 ZINC000037385439 526223894 /nfs/dbraw/zinc/22/38/94/526223894.db2.gz JTONUQOCYWBYPN-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035928152 526225645 /nfs/dbraw/zinc/22/56/45/526225645.db2.gz HKHDMJZIXPIVDY-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000001113826 526226014 /nfs/dbraw/zinc/22/60/14/526226014.db2.gz GJJKKEMJUKUVGJ-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](/C(C)=C/c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000012342781 526229167 /nfs/dbraw/zinc/22/91/67/526229167.db2.gz BYYHWDDTROIKLH-KSEUIEODSA-N 0 0 441.354 5.257 50 0 IKAARN CSc1nnc2c(n1)O[C@H](/C(C)=C/c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000012342780 526229947 /nfs/dbraw/zinc/22/99/47/526229947.db2.gz BYYHWDDTROIKLH-NCUBBLFSSA-N 0 0 441.354 5.257 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(Cl)c3C)c2c1 ZINC000020940153 526232392 /nfs/dbraw/zinc/23/23/92/526232392.db2.gz FKFYQZWHNMGGIN-UHFFFAOYSA-N 0 0 445.950 5.523 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[C@H](C)C5)cc2)cc1 ZINC000015947836 526238882 /nfs/dbraw/zinc/23/88/82/526238882.db2.gz GCNAASKWBQDLSQ-NYHFZMIOSA-N 0 0 432.545 5.829 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)CCc2nc3ccccc3s2)c2ccc(C)cc2)cc1 ZINC000012565579 526240798 /nfs/dbraw/zinc/24/07/98/526240798.db2.gz UPJXVMLJSCVNFZ-AREMUKBSSA-N 0 0 429.541 6.013 50 0 IKAARN COc1cccc(Oc2c(CN(C(=O)NC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000035973121 526241187 /nfs/dbraw/zinc/24/11/87/526241187.db2.gz MNTODUKWVMSDND-UHFFFAOYSA-N 0 0 434.540 5.064 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4cccc5c4OC(C)(C)C5)cc3)sc2c1 ZINC000009659726 526241303 /nfs/dbraw/zinc/24/13/03/526241303.db2.gz SMDCPZYLGPORGY-UHFFFAOYSA-N 0 0 444.556 6.003 50 0 IKAARN Cc1ccc(C(C)C)c(OC(=O)NCCCCNC(=O)Oc2cc(C)ccc2C(C)C)c1 ZINC000012447294 526247071 /nfs/dbraw/zinc/24/70/71/526247071.db2.gz OWZIXCWHKDXYJU-UHFFFAOYSA-N 0 0 440.584 6.207 50 0 IKAARN Cc1ccc2nc(COC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc(=O)n2c1 ZINC000024659462 526250431 /nfs/dbraw/zinc/25/04/31/526250431.db2.gz FUMXADBLRXYOFH-UHFFFAOYSA-N 0 0 438.405 5.046 50 0 IKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3c2c1 ZINC000020321280 526251070 /nfs/dbraw/zinc/25/10/70/526251070.db2.gz QNSGAMCGPRPRTQ-UHFFFAOYSA-N 0 0 439.943 5.513 50 0 IKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N4CCN(c5ccccc5F)CC4)sc3c2c1 ZINC000020321205 526251110 /nfs/dbraw/zinc/25/11/10/526251110.db2.gz OPKPXEUTQMWGRJ-UHFFFAOYSA-N 0 0 439.943 5.513 50 0 IKAARN Cc1ccc2nc(CSc3nnc(SCc4ccc(Cl)cc4)s3)cc(=O)n2c1 ZINC000013145778 526251260 /nfs/dbraw/zinc/25/12/60/526251260.db2.gz OCESQGHRYIVAHE-UHFFFAOYSA-N 0 0 447.010 5.092 50 0 IKAARN Cc1ccc2nc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)sc2c1 ZINC000015882383 526253124 /nfs/dbraw/zinc/25/31/24/526253124.db2.gz XWCCVCSMMDLMMD-UHFFFAOYSA-N 0 0 429.545 5.359 50 0 IKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)no2)c1 ZINC000036005698 526255450 /nfs/dbraw/zinc/25/54/50/526255450.db2.gz WIBJSGMOOQTIQA-UHFFFAOYSA-N 0 0 432.545 5.350 50 0 IKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cccs3)no2)c1 ZINC000036012473 526255558 /nfs/dbraw/zinc/25/55/58/526255558.db2.gz QQTSBEASTBTSSA-UHFFFAOYSA-N 0 0 446.528 5.591 50 0 IKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4ccc5c(c4)OCCO5)cc3)n2)c1 ZINC000033169404 526255979 /nfs/dbraw/zinc/25/59/79/526255979.db2.gz HZVHVYACMGJINJ-UHFFFAOYSA-N 0 0 441.487 6.041 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735160 526258251 /nfs/dbraw/zinc/25/82/51/526258251.db2.gz QTYWUYGCZNNOMK-KVDYQGCPSA-N 0 0 426.969 5.734 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734962 526262008 /nfs/dbraw/zinc/26/20/08/526262008.db2.gz LFPNHTDLKWMCPT-DMEAQOTDSA-N 0 0 426.969 5.734 50 0 IKAARN Cc1nn(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602529 526268295 /nfs/dbraw/zinc/26/82/95/526268295.db2.gz LQNOLEZDBDHNBO-UHFFFAOYSA-N 0 0 443.256 5.581 50 0 IKAARN Cc1nn(CC(=O)Nc2cccc(Cl)c2Cl)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020605929 526268506 /nfs/dbraw/zinc/26/85/06/526268506.db2.gz LWMQGFGZAWQIOP-UHFFFAOYSA-N 0 0 443.256 5.581 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000032870642 526270113 /nfs/dbraw/zinc/27/01/13/526270113.db2.gz NJMTYAQBCPCXOC-UHFFFAOYSA-N 0 0 444.373 5.037 50 0 IKAARN Cc1nn(CCCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2c3ccccc3sc21 ZINC000020467102 526279056 /nfs/dbraw/zinc/27/90/56/526279056.db2.gz NXWVCRPFMFTUMC-UHFFFAOYSA-N 0 0 445.466 5.357 50 0 IKAARN Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(=O)oc1c2C ZINC000012892688 526292032 /nfs/dbraw/zinc/29/20/32/526292032.db2.gz NNKJRNLHPABJAA-OAHLLOKOSA-N 0 0 442.515 5.236 50 0 biogenic IKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020616369 526292642 /nfs/dbraw/zinc/29/26/42/526292642.db2.gz ONKFRFVKBMFXOZ-UHFFFAOYSA-N 0 0 447.486 5.076 50 0 IKAARN O=C(C1CCC1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(Cl)o2)=NO1 ZINC000035944825 526293079 /nfs/dbraw/zinc/29/30/79/526293079.db2.gz BVYULKHGHOLKQB-MRXNPFEDSA-N 0 0 440.849 5.274 50 0 IKAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc12 ZINC000016045095 526296148 /nfs/dbraw/zinc/29/61/48/526296148.db2.gz QRGJOCWVERNYGQ-MPVQEXEOSA-N 0 0 433.621 5.789 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000010036898 526296171 /nfs/dbraw/zinc/29/61/71/526296171.db2.gz WNANSBBVEMCLPA-HSZRJFAPSA-N 0 0 432.911 5.253 50 0 IKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4ccno4)cc3)c12 ZINC000036616698 526296366 /nfs/dbraw/zinc/29/63/66/526296366.db2.gz ZSLVDQYPDAGWCT-UHFFFAOYSA-N 0 0 449.514 5.573 50 0 IKAARN Fc1cc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c2c(c1)COCO2 ZINC000016629203 526298231 /nfs/dbraw/zinc/29/82/31/526298231.db2.gz ILTUSFFYEDNMEI-UHFFFAOYSA-N 0 0 426.947 5.615 50 0 IKAARN Cc1csc(-c2ccc(C(=O)N(C)[C@@H](C)c3cc(-c4ccccc4)n[nH]3)c(N(C)C)n2)c1 ZINC000014984256 526300576 /nfs/dbraw/zinc/30/05/76/526300576.db2.gz OAGWPDRUWMFNNW-KRWDZBQOSA-N 0 0 445.592 5.408 50 0 IKAARN Cc1nn([C@@H](C)C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2c3ccccc3sc21 ZINC000020466973 526301400 /nfs/dbraw/zinc/30/14/00/526301400.db2.gz KNDYPFYMFFVROU-KRVBTEMGSA-N 0 0 449.620 5.202 50 0 IKAARN Fc1cc(F)cc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035848284 526306596 /nfs/dbraw/zinc/30/65/96/526306596.db2.gz VANPXKDFFOVMSB-UHFFFAOYSA-N 0 0 438.286 6.405 50 0 IKAARN Cc1nn2c(ncc(C(=O)N3CCC(Cc4ccccc4)CC3)c2C)c1-c1cccc(C)c1 ZINC000021914561 526312359 /nfs/dbraw/zinc/31/23/59/526312359.db2.gz GLBCFRSHKQXMII-UHFFFAOYSA-N 0 0 438.575 5.416 50 0 IKAARN Cc1nn2c(ncc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c2C)c1-c1ccccc1 ZINC000035707186 526312682 /nfs/dbraw/zinc/31/26/82/526312682.db2.gz CQCPMCFJLBJJFQ-SANMLTNESA-N 0 0 446.554 5.727 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Br)cc3F)c2C)c1-c1ccccc1 ZINC000021914775 526313089 /nfs/dbraw/zinc/31/30/89/526313089.db2.gz BRLPPGXBTHZGFM-UHFFFAOYSA-N 0 0 439.288 5.167 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020731135 526315222 /nfs/dbraw/zinc/31/52/22/526315222.db2.gz OVDXCSOIDUCBDU-IBGZPJMESA-N 0 0 438.742 5.076 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCC[C@H]5CCCC[C@H]54)c3)n2)o1 ZINC000023434344 526315475 /nfs/dbraw/zinc/31/54/75/526315475.db2.gz NQOUECJARBGBCE-NTKDMRAZSA-N 0 0 447.583 5.224 50 0 IKAARN Fc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000012573142 526316789 /nfs/dbraw/zinc/31/67/89/526316789.db2.gz WYOCTFYQYJDQMI-UHFFFAOYSA-N 0 0 430.486 6.684 50 0 IKAARN Fc1ccc(-n2nc(-c3ccccc3)cc2-n2c3ccccc3nc2-c2cccs2)cc1 ZINC000012555233 526321304 /nfs/dbraw/zinc/32/13/04/526321304.db2.gz PAXZMWHUHNSXIE-UHFFFAOYSA-N 0 0 436.515 6.746 50 0 IKAARN Fc1ccc(-n2nc(C3CC3)c3c2nc(C24CC5CC(CC(C5)C2)C4)cc3C(F)F)cc1 ZINC000020615035 526321412 /nfs/dbraw/zinc/32/14/12/526321412.db2.gz AWIVSDZMKFOHFP-UHFFFAOYSA-N 0 0 437.509 6.842 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1c(F)cc(F)cc1Br ZINC000012858880 526335429 /nfs/dbraw/zinc/33/54/29/526335429.db2.gz GNSBASQDWHEEKN-UHFFFAOYSA-N 0 0 443.357 5.147 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000012375586 526335480 /nfs/dbraw/zinc/33/54/80/526335480.db2.gz VQVLNNSAAQHPJY-UHFFFAOYSA-N 0 0 434.030 6.029 50 0 IKAARN Cc1nnc(CSc2nc3scc(-c4ccccc4)c3c(=O)n2Cc2ccccc2)o1 ZINC000012766271 526350402 /nfs/dbraw/zinc/35/04/02/526350402.db2.gz WAYVCQHFUBIINB-UHFFFAOYSA-N 0 0 446.557 5.157 50 0 IKAARN Fc1ccc(N2CCCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)cc1 ZINC000012387724 526351976 /nfs/dbraw/zinc/35/19/76/526351976.db2.gz UNWXPKDCEDAIJH-UHFFFAOYSA-N 0 0 442.538 5.101 50 0 IKAARN Fc1ccc(N2CCN([C@@H](c3nnc(-c4ccc(Cl)cc4)o3)c3ccccc3)CC2)cc1 ZINC000021538439 526352761 /nfs/dbraw/zinc/35/27/61/526352761.db2.gz ZLLMPZAXPGYDKT-HSZRJFAPSA-N 0 0 448.929 5.441 50 0 IKAARN O=C(NCCOc1ccc(Cl)cc1)c1sc2cc(-c3ccccc3)ccc2c1Cl ZINC000012628176 526356624 /nfs/dbraw/zinc/35/66/24/526356624.db2.gz SLCDDQBMIRRXFP-UHFFFAOYSA-N 0 0 442.367 6.684 50 0 IKAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020602825 526365553 /nfs/dbraw/zinc/36/55/53/526365553.db2.gz NFGBPLCEYQKOQY-HSZRJFAPSA-N 0 0 448.929 5.441 50 0 IKAARN Cc1csc(N(C(=O)CSc2nncn2-c2ccc(C)cc2C)c2ccccc2)n1 ZINC000012516316 526370589 /nfs/dbraw/zinc/37/05/89/526370589.db2.gz CLKFTEPGQMLHFQ-UHFFFAOYSA-N 0 0 435.578 5.106 50 0 IKAARN S=C(Nc1cc(Cl)cc(Cl)c1)N(Cc1c[nH]c2ccccc12)C1CCCCCC1 ZINC000020212548 526385237 /nfs/dbraw/zinc/38/52/37/526385237.db2.gz JZDMQPYPHWFJIS-UHFFFAOYSA-N 0 0 446.447 7.397 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000012524166 526385554 /nfs/dbraw/zinc/38/55/54/526385554.db2.gz AUADLSDKILZVSW-OAQYLSRUSA-N 0 0 436.378 5.997 50 0 IKAARN S=C(c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000015230811 526386810 /nfs/dbraw/zinc/38/68/10/526386810.db2.gz AWSWLRWYZJGKJQ-UHFFFAOYSA-N 0 0 445.209 6.106 50 0 IKAARN Cc1nnc(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)n1-c1ccccc1C ZINC000021405033 526387650 /nfs/dbraw/zinc/38/76/50/526387650.db2.gz JLPTTXLTFQEEES-UHFFFAOYSA-N 0 0 444.520 5.190 50 0 IKAARN S=c1sc2ccccc2n1CN1CCN(Cn2c3ccccc3sc2=S)CC1 ZINC000020534029 526388399 /nfs/dbraw/zinc/38/83/99/526388399.db2.gz GOGWXBNPDNLAKB-UHFFFAOYSA-N 0 0 444.676 5.411 50 0 IKAARN S=c1n(CN2CC[C@@H](c3ccccc3)C2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000012376177 526388883 /nfs/dbraw/zinc/38/88/83/526388883.db2.gz TZVFCHXVAAKTCJ-OAQYLSRUSA-N 0 0 447.007 6.171 50 0 IKAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)n1C1CC1 ZINC000012862789 526390198 /nfs/dbraw/zinc/39/01/98/526390198.db2.gz APHPZJZTYRYHQZ-CQSZACIVSA-N 0 0 449.605 5.241 50 0 IKAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000035840100 526391618 /nfs/dbraw/zinc/39/16/18/526391618.db2.gz UCZKZKPQEDWVNF-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)n1 ZINC000020508459 526392246 /nfs/dbraw/zinc/39/22/46/526392246.db2.gz GOYKRFFEUZDRIR-MOPGFXCFSA-N 0 0 425.579 5.088 50 0 IKAARN Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)n1 ZINC000020716667 526393861 /nfs/dbraw/zinc/39/38/61/526393861.db2.gz AIGIPBLDQWCWKQ-OAQYLSRUSA-N 0 0 431.561 5.143 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1oc2ccccc2c1CSCc1ccccc1 ZINC000013145852 526395276 /nfs/dbraw/zinc/39/52/76/526395276.db2.gz PGABKEVUEBHNCX-UHFFFAOYSA-N 0 0 440.568 6.320 50 0 IKAARN c1c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000012559522 526401572 /nfs/dbraw/zinc/40/15/72/526401572.db2.gz FDGPVDPLYAHUOR-GDLZYMKVSA-N 0 0 439.522 6.528 50 0 IKAARN O=C(CCC1CCCC1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023333983 526402084 /nfs/dbraw/zinc/40/20/84/526402084.db2.gz CPVWQLSYAZFFBI-UHFFFAOYSA-N 0 0 428.580 5.306 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000023457571 526403425 /nfs/dbraw/zinc/40/34/25/526403425.db2.gz IRPQOBPTKOXHMB-UHFFFAOYSA-N 0 0 430.891 5.256 50 0 IKAARN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000016267481 526414680 /nfs/dbraw/zinc/41/46/80/526414680.db2.gz KDDHFYXQTJQMIO-ZEQRLZLVSA-N 0 0 437.495 5.089 50 0 IKAARN Fc1ccccc1OC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000012209938 526414703 /nfs/dbraw/zinc/41/47/03/526414703.db2.gz BAYVWFUWLHSZKL-UHFFFAOYSA-N 0 0 443.522 5.432 50 0 IKAARN O=C(OCc1cc(F)cc2c1OCOC2)C1(Cc2nc3ccccc3s2)CCCCC1 ZINC000012905101 526424020 /nfs/dbraw/zinc/42/40/20/526424020.db2.gz FKFOZYBBIRYKSD-UHFFFAOYSA-N 0 0 441.524 5.538 50 0 IKAARN O=C(OCc1cccc(Cl)c1)c1ccc(-c2nnn(Cc3cccc(Cl)c3)n2)cc1 ZINC000012428714 526425919 /nfs/dbraw/zinc/42/59/19/526425919.db2.gz FXXZHAJMBFISIL-UHFFFAOYSA-N 0 0 439.302 5.052 50 0 IKAARN O=C(OCc1csc(-c2ccsc2)n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000012690378 526429462 /nfs/dbraw/zinc/42/94/62/526429462.db2.gz SZGQEZQNWYOWET-UHFFFAOYSA-N 0 0 444.541 5.476 50 0 IKAARN O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1)c1ccccc1 ZINC000011990361 526441214 /nfs/dbraw/zinc/44/12/14/526441214.db2.gz QSLDPHPBAYCTKB-BVAGGSTKSA-N 0 0 436.467 5.741 50 0 IKAARN O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000008825164 526441286 /nfs/dbraw/zinc/44/12/86/526441286.db2.gz DMTBYAAIHUVIQV-UHFFFAOYSA-N 0 0 449.934 5.377 50 0 IKAARN O=C(Oc1ccc2ccccc2c1)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000002999942 526444170 /nfs/dbraw/zinc/44/41/70/526444170.db2.gz JYFTXYRHFLCXBI-UHFFFAOYSA-N 0 0 438.888 5.480 50 0 IKAARN O=C(Oc1ccc2cnccc2c1)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000035510672 526444780 /nfs/dbraw/zinc/44/47/80/526444780.db2.gz YZSGNHQFPSTZAT-UHFFFAOYSA-N 0 0 426.859 5.412 50 0 IKAARN O=C(Oc1ccc2nc(N3CCCCC3)sc2c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000012488763 526445253 /nfs/dbraw/zinc/44/52/53/526445253.db2.gz DBXOPOFPPKEFRY-UHFFFAOYSA-N 0 0 442.540 5.737 50 0 IKAARN c1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)c3ccccc3n2)nc1 ZINC000012624325 526450950 /nfs/dbraw/zinc/45/09/50/526450950.db2.gz WGAYSHDYXVYGRF-UHFFFAOYSA-N 0 0 434.528 5.495 50 0 IKAARN O=C(CCCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012607990 526452647 /nfs/dbraw/zinc/45/26/47/526452647.db2.gz BQUFFJPDAAEEDC-UHFFFAOYSA-N 0 0 438.572 5.148 50 0 IKAARN O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012637643 526452909 /nfs/dbraw/zinc/45/29/09/526452909.db2.gz JOGSNVQYZDKIAF-UHFFFAOYSA-N 0 0 427.533 5.617 50 0 IKAARN O=C(CCCSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000020522969 526452973 /nfs/dbraw/zinc/45/29/73/526452973.db2.gz IWUKFZQBLODAAP-UHFFFAOYSA-N 0 0 432.520 5.339 50 0 IKAARN Cc1noc(-c2ccccc2)c1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000095939694 526454115 /nfs/dbraw/zinc/45/41/15/526454115.db2.gz ZHZZGTZRHDJFGK-UHFFFAOYSA-N 0 0 429.505 5.221 50 0 IKAARN Cc1noc(-c2cccnc2)c1C(=O)N1CCC[C@H](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000023324284 526455772 /nfs/dbraw/zinc/45/57/72/526455772.db2.gz WGFMAMCHKBDEAJ-OAQYLSRUSA-N 0 0 431.580 5.828 50 0 IKAARN c1ccc(C2=C(c3ccccc3)[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000245189301 526461518 /nfs/dbraw/zinc/46/15/18/526461518.db2.gz ONCRRKVNEMITTH-MAGSOHPQSA-N 0 0 448.609 8.962 50 0 IKAARN c1ccc(CNc2ncnc3c2sc2nc(N4CCCCC4)c4c(c23)CCCC4)cc1 ZINC000036006875 526472956 /nfs/dbraw/zinc/47/29/56/526472956.db2.gz LUTBOCKXSLDGNR-UHFFFAOYSA-N 0 0 429.593 5.721 50 0 IKAARN O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1Cl ZINC000012872058 526504194 /nfs/dbraw/zinc/50/41/94/526504194.db2.gz DQKUSMIWJNLADY-UHFFFAOYSA-N 0 0 429.303 5.544 50 0 IKAARN c1ccc2c(c1)nc(-c1cccnc1)cc2-c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000012624322 526515969 /nfs/dbraw/zinc/51/59/69/526515969.db2.gz FYOQWLPGRVXDEO-UHFFFAOYSA-N 0 0 434.528 5.495 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2c(C)noc2C)c2ccccc2)cc1 ZINC000022135170 526521206 /nfs/dbraw/zinc/52/12/06/526521206.db2.gz PIKNCHKBOPQWGW-UHFFFAOYSA-N 0 0 445.519 5.251 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000021140963 526521414 /nfs/dbraw/zinc/52/14/14/526521414.db2.gz SJQARBORJSOXPC-UHFFFAOYSA-N 0 0 447.516 5.437 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)c1 ZINC000020608235 526522943 /nfs/dbraw/zinc/52/29/43/526522943.db2.gz KZKFCLSQUVFEMN-UHFFFAOYSA-N 0 0 448.498 5.123 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccn(Cc3ccccc3Cl)n2)c1 ZINC000020617585 526523057 /nfs/dbraw/zinc/52/30/57/526523057.db2.gz MBOISXGJVUHCQI-UHFFFAOYSA-N 0 0 436.899 5.021 50 0 IKAARN Cc1noc(C)c1CSCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000021248653 526526848 /nfs/dbraw/zinc/52/68/48/526526848.db2.gz LICTUUJJYNXMHZ-UHFFFAOYSA-N 0 0 427.492 5.172 50 0 IKAARN 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Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c21 ZINC000012897545 526779960 /nfs/dbraw/zinc/77/99/60/526779960.db2.gz LKZUVSAMSVCUGM-UHFFFAOYSA-N 0 0 443.455 5.060 50 0 biogenic IKAARN O=C(c1ccccc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCCC2 ZINC000020152254 526791648 /nfs/dbraw/zinc/79/16/48/526791648.db2.gz GBEKWRGEYFCKOX-UHFFFAOYSA-N 0 0 427.367 5.382 50 0 IKAARN O=C(c1ccccc1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023326695 526793836 /nfs/dbraw/zinc/79/38/36/526793836.db2.gz MBMVURNFQZUQEC-UHFFFAOYSA-N 0 0 425.359 5.541 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)o1 ZINC000023054890 526797523 /nfs/dbraw/zinc/79/75/23/526797523.db2.gz OYJAFIUKYRVLHE-IBGZPJMESA-N 0 0 449.557 5.610 50 0 IKAARN O=C(c1ccccc1F)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@H]1CCCO1 ZINC000035829761 526803600 /nfs/dbraw/zinc/80/36/00/526803600.db2.gz DCRJXODTHXGCSP-HXUWFJFHSA-N 0 0 449.551 5.066 50 0 IKAARN O=C(c1ccccc1F)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000035944448 526804511 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O=C(c1ccco1)N1CCC[C@H]1c1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2o1 ZINC000034907866 526829567 /nfs/dbraw/zinc/82/95/67/526829567.db2.gz YNZORWFYAHRGHM-SFHVURJKSA-N 0 0 426.394 6.084 50 0 IKAARN O=C(c1cccs1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000035944445 526835043 /nfs/dbraw/zinc/83/50/43/526835043.db2.gz ZYBMMLQOQFPPIR-KRWDZBQOSA-N 0 0 428.916 5.376 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@H]1CCCO1 ZINC000012097248 526835296 /nfs/dbraw/zinc/83/52/96/526835296.db2.gz CPTUIAYDSLFVNN-JOCHJYFZSA-N 0 0 425.525 5.288 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1 ZINC000012155433 526835534 /nfs/dbraw/zinc/83/55/34/526835534.db2.gz VSFRLZMMJWRMCS-UHFFFAOYSA-N 0 0 432.520 5.704 50 0 IKAARN O=C(c1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908361 526836044 /nfs/dbraw/zinc/83/60/44/526836044.db2.gz JKKLCVAVPQTNNC-GOSISDBHSA-N 0 0 442.462 6.552 50 0 IKAARN O=C(c1cccs1)N1CCC[C@H]1c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000034908199 526836206 /nfs/dbraw/zinc/83/62/06/526836206.db2.gz FOSGASAGOCXVIC-SFHVURJKSA-N 0 0 442.462 6.552 50 0 IKAARN O=C(c1cccs1)[C@@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000012197448 526838516 /nfs/dbraw/zinc/83/85/16/526838516.db2.gz VVFCHQURZFOWPP-OAQYLSRUSA-N 0 0 443.572 5.406 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Sc1ccc(C(F)(F)F)cn1 ZINC000012369748 526842063 /nfs/dbraw/zinc/84/20/63/526842063.db2.gz QCOVFAYTSKZFNQ-UHFFFAOYSA-N 0 0 433.238 6.303 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000017098356 526842598 /nfs/dbraw/zinc/84/25/98/526842598.db2.gz PNTMTNOXEINTMW-HDDXYUSQSA-N 0 0 433.379 6.292 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(-c3cc(C)cc(C)c3)o2)o1 ZINC000022237883 526845873 /nfs/dbraw/zinc/84/58/73/526845873.db2.gz VLZNPDDTPMHJAF-UHFFFAOYSA-N 0 0 445.504 5.659 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000012304789 526846973 /nfs/dbraw/zinc/84/69/73/526846973.db2.gz CBYZDLZAXAWWTB-SANMLTNESA-N 0 0 434.499 5.314 50 0 IKAARN O=C(N[C@@H](CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl ZINC000015940926 526855429 /nfs/dbraw/zinc/85/54/29/526855429.db2.gz KSKWTBIDBIRVHW-LPHOPBHVSA-N 0 0 438.877 5.002 50 0 IKAARN O=C(N[C@@H](CCn1ccnc1)c1ccccc1)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000012433730 526856447 /nfs/dbraw/zinc/85/64/47/526856447.db2.gz VZRYVNWDSACRTA-QHCPKHFHSA-N 0 0 436.515 5.177 50 0 IKAARN O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1cc(Cl)ccc1Cl ZINC000012862227 526859299 /nfs/dbraw/zinc/85/92/99/526859299.db2.gz DCLZKVNCCNJYTI-UHFFFAOYSA-N 0 0 440.286 5.170 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000012550989 526865607 /nfs/dbraw/zinc/86/56/07/526865607.db2.gz AZRVTWNFAYQXMV-SANMLTNESA-N 0 0 445.522 5.508 50 0 IKAARN Cc1sc(-n2cccc2)c([C@H](C)NC(=O)Nc2ccc(Br)cc2F)c1C ZINC000020386499 526865669 /nfs/dbraw/zinc/86/56/69/526865669.db2.gz YYFGEHYJYYIPRZ-LBPRGKRZSA-N 0 0 436.350 5.940 50 0 IKAARN Cc1sc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc1-c1ccc(Cl)cc1 ZINC000012786663 526878841 /nfs/dbraw/zinc/87/88/41/526878841.db2.gz BFKDOZXLTXBFSI-MRXNPFEDSA-N 0 0 425.941 5.302 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)c(C(N)=O)c1C ZINC000017099841 526883482 /nfs/dbraw/zinc/88/34/82/526883482.db2.gz SSFJGYDRGBJKNI-UHFFFAOYSA-N 0 0 435.936 5.585 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2ccsc2)c1C ZINC000035476910 526884537 /nfs/dbraw/zinc/88/45/37/526884537.db2.gz QVEPJZDIFLGFBV-QFIPXVFZSA-N 0 0 433.602 6.584 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C ZINC000022917879 526884873 /nfs/dbraw/zinc/88/48/73/526884873.db2.gz QOLCRCBTSQBICN-QHCPKHFHSA-N 0 0 437.584 5.093 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2cccnc2)c1C ZINC000035476896 526884974 /nfs/dbraw/zinc/88/49/74/526884974.db2.gz BCZYXVSTRYLARZ-QHCPKHFHSA-N 0 0 428.561 5.917 50 0 IKAARN Cc1sc2[nH]c(C(Cl)=Cc3ccc(C(F)(F)F)cc3)nc(=O)c2c1-c1ccccc1 ZINC000033481040 526889487 /nfs/dbraw/zinc/88/94/87/526889487.db2.gz 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O=C(CNc1cccc2ccccc21)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000021659289 526897332 /nfs/dbraw/zinc/89/73/32/526897332.db2.gz MJDQMHRROPWSCI-UHFFFAOYSA-N 0 0 430.511 6.014 50 0 IKAARN O=C(CNc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659449 526900246 /nfs/dbraw/zinc/90/02/46/526900246.db2.gz DWQFEJVDMCYONH-UHFFFAOYSA-N 0 0 449.341 6.168 50 0 IKAARN O=C(c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1)N1CCCC1 ZINC000034713688 526900563 /nfs/dbraw/zinc/90/05/63/526900563.db2.gz IZINKAZWRWPJEM-UHFFFAOYSA-N 0 0 432.467 5.644 50 0 IKAARN O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ncc(Cl)cc1Cl ZINC000012624822 526904516 /nfs/dbraw/zinc/90/45/16/526904516.db2.gz OXWMRRGECSEWAQ-MDWZMJQESA-N 0 0 439.345 5.234 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012375999 526904618 /nfs/dbraw/zinc/90/46/18/526904618.db2.gz XGSPYQBMCRDWCC-UHFFFAOYSA-N 0 0 440.926 6.101 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000016044082 526905461 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444.596 6.994 50 0 IKAARN Cc1nc(CSc2ccc(C(=O)OCc3nc(-c4cccs4)no3)cc2)cs1 ZINC000012765142 526915180 /nfs/dbraw/zinc/91/51/80/526915180.db2.gz FQQBTDHCUYLJKY-UHFFFAOYSA-N 0 0 429.548 5.212 50 0 IKAARN Cc1nc(CSc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 ZINC000012547234 526915423 /nfs/dbraw/zinc/91/54/23/526915423.db2.gz WLDYRULOTWOUAO-MRXNPFEDSA-N 0 0 434.590 5.421 50 0 IKAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)N(C1CCCCC1)C1CCCCC1 ZINC000012649342 526916704 /nfs/dbraw/zinc/91/67/04/526916704.db2.gz ADAZKPVXXXQEKZ-UHFFFAOYSA-N 0 0 447.575 5.568 50 0 IKAARN O=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1ccc(-c2ccccc2)cc1 ZINC000021367034 526917443 /nfs/dbraw/zinc/91/74/43/526917443.db2.gz UNGIYXSGWUDKQE-UHFFFAOYSA-N 0 0 443.528 5.218 50 0 IKAARN O=C(c1nc2sccn2c1CN1CCC[C@@H]1c1ccc(F)cc1)N1CCCCCCC1 ZINC000012314339 526917913 /nfs/dbraw/zinc/91/79/13/526917913.db2.gz GUMJGVBBMBVTCM-HXUWFJFHSA-N 0 0 440.588 5.278 50 0 IKAARN O=C(c1nc2sccn2c1CN1CCC[C@H]1c1ccc(F)cc1)N1CCCCCCC1 ZINC000012314338 526919412 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O=C(Nc1ccc(Cl)cc1)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 ZINC000020530542 527180818 /nfs/dbraw/zinc/18/08/18/527180818.db2.gz FCEJFYCOJXFRMK-UHFFFAOYSA-N 0 0 436.924 6.326 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000035180990 527182308 /nfs/dbraw/zinc/18/23/08/527182308.db2.gz AIYIBQXTMVSXFU-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnc(NC2CCCCC2)cc1C(F)(F)F ZINC000020458655 527184111 /nfs/dbraw/zinc/18/41/11/527184111.db2.gz VVYKJLUWSLUNPP-UHFFFAOYSA-N 0 0 432.273 6.404 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012747576 527184509 /nfs/dbraw/zinc/18/45/09/527184509.db2.gz AZNBPSAIJZYWLW-UHFFFAOYSA-N 0 0 427.331 5.638 50 0 IKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000012553953 527187541 /nfs/dbraw/zinc/18/75/41/527187541.db2.gz YIWXMBCMJFUFDC-LJQANCHMSA-N 0 0 449.498 5.137 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047495 527193029 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O=C(Nc1ccc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)cc1)c1ccccc1 ZINC000021357902 527258845 /nfs/dbraw/zinc/25/88/45/527258845.db2.gz QECWEUSKDMDJGD-UHFFFAOYSA-N 0 0 431.473 5.010 50 0 IKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1)c1ccccc1F ZINC000035928221 527258886 /nfs/dbraw/zinc/25/88/86/527258886.db2.gz ICPQJBVLYZASOV-QFIPXVFZSA-N 0 0 428.435 5.135 50 0 IKAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1)c1cccc(Cl)c1 ZINC000035925245 527258930 /nfs/dbraw/zinc/25/89/30/527258930.db2.gz WYFIOTSSLTZIDT-RUZDIDTESA-N 0 0 448.975 5.860 50 0 IKAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)C1CCCCC1 ZINC000035926979 527259047 /nfs/dbraw/zinc/25/90/47/527259047.db2.gz QVLAXPHFKJRHFZ-JOCHJYFZSA-N 0 0 448.510 6.003 50 0 IKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1Cl ZINC000035927278 527259151 /nfs/dbraw/zinc/25/91/51/527259151.db2.gz ODXBBKZUNPUDGV-QFIPXVFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)c1cccc2ccccc21 ZINC000035912189 527259517 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O=C(NC(=S)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1)c1ccco1 ZINC000012563086 527457968 /nfs/dbraw/zinc/45/79/68/527457968.db2.gz FYNUBIMWDZHAKF-SWXHDSEASA-N 0 0 441.556 5.591 50 0 IKAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1ccccc1n2Cc1ccc(F)cc1Cl ZINC000035400227 527457963 /nfs/dbraw/zinc/45/79/63/527457963.db2.gz MGDZGRNHCSWEBX-UHFFFAOYSA-N 0 0 435.861 5.379 50 0 IKAARN O=C(NC(=S)NNc1c(Cl)cc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000015906003 527458546 /nfs/dbraw/zinc/45/85/46/527458546.db2.gz ZZLPXLDFQYBFPR-UHFFFAOYSA-N 0 0 432.804 5.181 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc(Br)ccc1Cl ZINC000012285117 527459243 /nfs/dbraw/zinc/45/92/43/527459243.db2.gz IRKRPGVBDJNYTQ-UHFFFAOYSA-N 0 0 438.561 5.536 50 0 IKAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1ccccc1)CN(Cc1ccccn1)CO3 ZINC000012442651 527463413 /nfs/dbraw/zinc/46/34/13/527463413.db2.gz QIUQVYVFRYWFQD-UHFFFAOYSA-N 0 0 438.405 5.226 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(Cl)cccc2Cl)n1-c1cccc(Cl)c1 ZINC000012565522 527465534 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O=c1cc(COc2ccc(Br)cc2F)c2ccc(Br)cc2o1 ZINC000022557178 527481512 /nfs/dbraw/zinc/48/15/12/527481512.db2.gz PGEQBHMRLBTFPO-UHFFFAOYSA-N 0 0 428.051 5.036 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Oc2ccccc2)cc1 ZINC000021114260 527500883 /nfs/dbraw/zinc/50/08/83/527500883.db2.gz PFRDTFRXSRVEIE-UHFFFAOYSA-N 0 0 448.547 7.522 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cccc(Cl)c1 ZINC000035671786 527501516 /nfs/dbraw/zinc/50/15/16/527501516.db2.gz IGFNXAXNKVSTCU-UHFFFAOYSA-N 0 0 433.920 5.968 50 0 IKAARN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccccc1Br ZINC000012630214 527503291 /nfs/dbraw/zinc/50/32/91/527503291.db2.gz FVCCWCPEZRFNRF-UHFFFAOYSA-N 0 0 441.375 6.553 50 0 IKAARN O=C(Nc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2s1)C1CCCCC1 ZINC000015870262 527512153 /nfs/dbraw/zinc/51/21/53/527512153.db2.gz UBNGDKRBJZBABO-UHFFFAOYSA-N 0 0 449.985 5.269 50 0 IKAARN O=C(NC1CCCCC1)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998946 527516757 /nfs/dbraw/zinc/51/67/57/527516757.db2.gz VHZPSJSJXSGZSV-UHFFFAOYSA-N 0 0 439.968 5.100 50 0 IKAARN Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000015108225 527517120 /nfs/dbraw/zinc/51/71/20/527517120.db2.gz SHJVAWUPLSQLAR-UHFFFAOYSA-N 0 0 446.643 6.968 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1ccc(C)cc1Cl ZINC000033275325 527517177 /nfs/dbraw/zinc/51/71/77/527517177.db2.gz YUKIIJVOJWANNS-UHFFFAOYSA-N 0 0 447.926 5.631 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1cccc(Cl)c1C ZINC000033275323 527517892 /nfs/dbraw/zinc/51/78/92/527517892.db2.gz FJEGHNJZBNNCRH-UHFFFAOYSA-N 0 0 447.926 5.631 50 0 IKAARN O=C(NC1CCCCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022641284 527518712 /nfs/dbraw/zinc/51/87/12/527518712.db2.gz PQPUTTAUKGWYSW-DEOSSOPVSA-N 0 0 426.004 5.479 50 0 IKAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccc(=O)[nH]c1 ZINC000012777262 527519340 /nfs/dbraw/zinc/51/93/40/527519340.db2.gz CJIBLGNNYXTFNU-UHFFFAOYSA-N 0 0 447.360 5.124 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc2ccccc2c(=O)o1 ZINC000012273894 527519449 /nfs/dbraw/zinc/51/94/49/527519449.db2.gz YETSWDUJMDLGHZ-UHFFFAOYSA-N 0 0 430.407 5.111 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1SC[C@H]1CCCO1 ZINC000021637278 527519702 /nfs/dbraw/zinc/51/97/02/527519702.db2.gz NHTLIIYVTKQJMS-QGZVFWFLSA-N 0 0 445.009 5.911 50 0 IKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000035170977 527521984 /nfs/dbraw/zinc/52/19/84/527521984.db2.gz YHSZPMYGJQFMLB-HXUWFJFHSA-N 0 0 429.907 5.604 50 0 IKAARN O=C(NC1CCCCCCC1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000012779542 527522033 /nfs/dbraw/zinc/52/20/33/527522033.db2.gz OKEHXKHMRLVAEX-UHFFFAOYSA-N 0 0 434.384 5.148 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000012790444 527522395 /nfs/dbraw/zinc/52/23/95/527522395.db2.gz TUQXKZPGXCSADC-UHFFFAOYSA-N 0 0 439.515 5.046 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000020892864 527522960 /nfs/dbraw/zinc/52/29/60/527522960.db2.gz MLOXRJAEUGPRBJ-IBGZPJMESA-N 0 0 428.355 5.026 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000020892991 527525011 /nfs/dbraw/zinc/52/50/11/527525011.db2.gz RCWAKSNOOKPPAP-NRFANRHFSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000020892971 527525038 /nfs/dbraw/zinc/52/50/38/527525038.db2.gz FTPDIFKFPHEOOI-NRFANRHFSA-N 0 0 427.957 5.396 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C(C)C ZINC000035975486 527525378 /nfs/dbraw/zinc/52/53/78/527525378.db2.gz AOIUNSKHFFAIOA-UHFFFAOYSA-N 0 0 437.971 6.021 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)NC(C)(C)C)C(C)C ZINC000035970884 527528122 /nfs/dbraw/zinc/52/81/22/527528122.db2.gz FZTDAAOLTYEVBO-UHFFFAOYSA-N 0 0 438.547 5.831 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000012875536 527528342 /nfs/dbraw/zinc/52/83/42/527528342.db2.gz CFPFYXPUPLQNMB-UHFFFAOYSA-N 0 0 425.847 5.294 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccc(Cl)cc3Cl)c12 ZINC000036616465 527529817 /nfs/dbraw/zinc/52/98/17/527529817.db2.gz ZIWJATAQTFKFBT-UHFFFAOYSA-N 0 0 429.282 5.736 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc12 ZINC000012600212 527530067 /nfs/dbraw/zinc/53/00/67/527530067.db2.gz PCRHWGSXUURPBT-UHFFFAOYSA-N 0 0 443.503 6.579 50 0 IKAARN Cc1nn(-c2ccc(NC(=O)c3cccc(OC(F)(F)C(F)F)c3)cc2)c(C)c1Cl ZINC000020608130 527532448 /nfs/dbraw/zinc/53/24/48/527532448.db2.gz GELRCLMRZGUYOE-UHFFFAOYSA-N 0 0 441.812 5.632 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035971009 527534696 /nfs/dbraw/zinc/53/46/96/527534696.db2.gz BWFMQGIJBWQBBW-UHFFFAOYSA-N 0 0 438.959 5.709 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(C)cc(C(=O)Nc3ccccc3Br)c12 ZINC000020579157 527536280 /nfs/dbraw/zinc/53/62/80/527536280.db2.gz WKDZOTGEIZRZQQ-UHFFFAOYSA-N 0 0 439.288 5.191 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(CC2CC2)C(=O)C2CCC2)c1Oc1ccccc1F ZINC000035977273 527536438 /nfs/dbraw/zinc/53/64/38/527536438.db2.gz QMMQLGQOAZSBJW-UHFFFAOYSA-N 0 0 433.527 5.557 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)c2ccccc2F)C2CC2)c1Oc1ccccc1 ZINC000035977848 527536844 /nfs/dbraw/zinc/53/68/44/527536844.db2.gz KOAQOOSVBAADHQ-UHFFFAOYSA-N 0 0 441.506 5.823 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(Cc2ccco2)C(=O)C2CC2)c1Oc1ccccc1F ZINC000035977198 527537811 /nfs/dbraw/zinc/53/78/11/527537811.db2.gz HWJHNCVXMCUGOP-UHFFFAOYSA-N 0 0 445.494 5.550 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC1CC1)C(=O)C1CCCC1 ZINC000035977143 527548631 /nfs/dbraw/zinc/54/86/31/527548631.db2.gz LHMCZXMUOGBLTE-UHFFFAOYSA-N 0 0 443.591 6.210 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)c1ccccc1)C1CC1 ZINC000035977020 527548875 /nfs/dbraw/zinc/54/88/75/527548875.db2.gz XETUNSVLRPYWOV-UHFFFAOYSA-N 0 0 437.543 6.086 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)NC(C)(C)C)C(C)C ZINC000035978563 527548917 /nfs/dbraw/zinc/54/89/17/527548917.db2.gz ZEWHRQXOEHAOSM-UHFFFAOYSA-N 0 0 434.584 6.000 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)c1ccccc1)C(C)C ZINC000035977004 527549271 /nfs/dbraw/zinc/54/92/71/527549271.db2.gz PIZNEPFXBKHTEC-UHFFFAOYSA-N 0 0 439.559 6.332 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C1CC1)C(C)C ZINC000035976256 527549441 /nfs/dbraw/zinc/54/94/41/527549441.db2.gz LPRFHPDSLZOCAY-UHFFFAOYSA-N 0 0 425.479 5.398 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000035971107 527550448 /nfs/dbraw/zinc/55/04/48/527550448.db2.gz GLZIKARPROAXQH-UHFFFAOYSA-N 0 0 443.522 6.163 50 0 IKAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)sc21 ZINC000020616147 527550567 /nfs/dbraw/zinc/55/05/67/527550567.db2.gz VRAKOXAIWRMCNA-UHFFFAOYSA-N 0 0 425.766 5.161 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)cc12 ZINC000020616100 527555827 /nfs/dbraw/zinc/55/58/27/527555827.db2.gz RUCNBHPIRLZJNG-UHFFFAOYSA-N 0 0 447.951 5.546 50 0 IKAARN Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000020898744 527564341 /nfs/dbraw/zinc/56/43/41/527564341.db2.gz VHOAVGCBFSXIPA-IBGZPJMESA-N 0 0 428.355 5.026 50 0 IKAARN Cc1nn(-c2ccccc2F)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000020604845 527565766 /nfs/dbraw/zinc/56/57/66/527565766.db2.gz FJPJGIIJABYEQE-UHFFFAOYSA-N 0 0 429.461 6.355 50 0 IKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c12 ZINC000020615481 527565864 /nfs/dbraw/zinc/56/58/64/527565864.db2.gz NBFKRIJUUANTMQ-UHFFFAOYSA-N 0 0 429.373 5.325 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000020893479 527569236 /nfs/dbraw/zinc/56/92/36/527569236.db2.gz CLLPQFCIXBMNGC-UHFFFAOYSA-N 0 0 436.968 5.751 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)cc3)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609341 527570797 /nfs/dbraw/zinc/57/07/97/527570797.db2.gz WAUSOYSEEFBSTN-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1OC1CCCC1)CC(=O)N2 ZINC000021726210 527571514 /nfs/dbraw/zinc/57/15/14/527571514.db2.gz TYCKVTBGSTVESJ-GOSISDBHSA-N 0 0 444.560 5.586 50 0 IKAARN Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@H](c1cccs1)CC(=O)N2 ZINC000015868315 527571667 /nfs/dbraw/zinc/57/16/67/527571667.db2.gz PZLVPWQIOXPCLE-NSHDSACASA-N 0 0 445.367 5.089 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cc(Cl)ccc1F)CC(=O)N2 ZINC000021661067 527571758 /nfs/dbraw/zinc/57/17/58/527571758.db2.gz CCUUHCVSXLCQCE-CQSZACIVSA-N 0 0 426.904 5.365 50 0 IKAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(-c3cccc(Cl)c3)o1)CC(=O)N2 ZINC000021661306 527571873 /nfs/dbraw/zinc/57/18/73/527571873.db2.gz SFGKMTWQVXHKLN-MRXNPFEDSA-N 0 0 443.894 5.445 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1Br)CC(=O)N2 ZINC000021177544 527573138 /nfs/dbraw/zinc/57/31/38/527573138.db2.gz QDBSGUPYLXIQLG-ZDUSSCGKSA-N 0 0 439.338 5.027 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1Cl)SCC(=O)N2 ZINC000020891274 527573237 /nfs/dbraw/zinc/57/32/37/527573237.db2.gz TUVQQOZBAYBZPJ-SFHVURJKSA-N 0 0 426.954 5.219 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000012374898 527585869 /nfs/dbraw/zinc/58/58/69/527585869.db2.gz PHVXLAKSMKFXKE-SMYPPPGRSA-N 0 0 448.489 5.083 50 0 IKAARN O=C(/C(=C\c1ccccc1)n1ccccc1=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000012629160 527590786 /nfs/dbraw/zinc/59/07/86/527590786.db2.gz ZUZQKSAJRTZYGI-HPNDGRJYSA-N 0 0 434.539 5.118 50 0 IKAARN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012603793 527616370 /nfs/dbraw/zinc/61/63/70/527616370.db2.gz SXTGYSZEZCZJEX-SYJIQKIWSA-N 0 0 449.404 5.143 50 0 IKAARN O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl ZINC000012902189 527618368 /nfs/dbraw/zinc/61/83/68/527618368.db2.gz UHEVGWPFDKQUQC-SDNWHVSQSA-N 0 0 447.343 5.446 50 0 IKAARN O=C(NCCC12CC3CC(C1)CC(CCNC(=O)c1cccs1)(C3)C2)c1cccs1 ZINC000015906549 527620060 /nfs/dbraw/zinc/62/00/60/527620060.db2.gz HYBAAZFBLBZBIW-UHFFFAOYSA-N 0 0 442.650 5.336 50 0 IKAARN O=C(C=Cc1ccc2c(c1)OCO2)O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000016035715 527620593 /nfs/dbraw/zinc/62/05/93/527620593.db2.gz PPJZVUPOFNTYPO-PUHSMXRQSA-N 0 0 425.440 5.077 50 0 IKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000012624458 527624306 /nfs/dbraw/zinc/62/43/06/527624306.db2.gz YJHKHFKZUUUKLX-BUHFOSPRSA-N 0 0 441.405 5.693 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)cc1F ZINC000035928252 527634034 /nfs/dbraw/zinc/63/40/34/527634034.db2.gz TVJNYWYUQSZZGY-XOJVXBCLSA-N 0 0 436.483 5.395 50 0 IKAARN OCc1cnc(SCc2ccccc2F)n1CCC(c1ccccc1)c1ccccc1 ZINC000035843695 527640956 /nfs/dbraw/zinc/64/09/56/527640956.db2.gz CBMZPRPWCAYBEL-UHFFFAOYSA-N 0 0 432.564 6.029 50 0 IKAARN O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020728950 527657011 /nfs/dbraw/zinc/65/70/11/527657011.db2.gz VQTGHYUXEWYYMK-RUZDIDTESA-N 0 0 445.950 5.436 50 0 IKAARN FC(F)(F)[C@H]1c2[nH]c3ccccc3c2CCN1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000036047241 527679670 /nfs/dbraw/zinc/67/96/70/527679670.db2.gz TVQWPNOXESZYNJ-QGZVFWFLSA-N 0 0 444.309 6.333 50 0 IKAARN FC(F)(F)c1ccc(-c2csc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000012369447 527681643 /nfs/dbraw/zinc/68/16/43/527681643.db2.gz YFNUPELCTYNSOI-UHFFFAOYSA-N 0 0 442.211 7.822 50 0 IKAARN FC(F)(F)c1ccc([C@@H]2[C@H]3C(=NN2c2cc(Cl)ccc2Cl)C2CCN3CC2)cc1 ZINC000020458361 527684130 /nfs/dbraw/zinc/68/41/30/527684130.db2.gz HPZOIPIGTUOSOD-WOJBJXKFSA-N 0 0 440.296 6.024 50 0 IKAARN FC(F)(F)c1ccc([C@@H]2[C@@H]3C(=NN2c2cc(Cl)ccc2Cl)C2CCN3CC2)cc1 ZINC000020458365 527684625 /nfs/dbraw/zinc/68/46/25/527684625.db2.gz HPZOIPIGTUOSOD-UXHICEINSA-N 0 0 440.296 6.024 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 ZINC000035840091 527685389 /nfs/dbraw/zinc/68/53/89/527685389.db2.gz LJSFDPKRSHXPNC-UHFFFAOYSA-N 0 0 445.897 6.899 50 0 IKAARN FC(F)Oc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000012558595 527697360 /nfs/dbraw/zinc/69/73/60/527697360.db2.gz XMUHMSCCOZWCMH-UHFFFAOYSA-N 0 0 436.508 7.096 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001816836 534934785 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CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000253609480 574421684 /nfs/dbraw/zinc/42/16/84/574421684.db2.gz VGSSUFQMXBFFTM-DCXFOXRQSA-N 0 0 448.732 6.190 50 0 endogenous,in-man IKAARN O=C(CSc1nc2c(n1C(=O)c1ccc(Cl)cn1)CCCC2)c1ccc(Cl)cc1 ZINC000000623425 555511377 /nfs/dbraw/zinc/51/13/77/555511377.db2.gz GJGXXWNGFRRHCA-UHFFFAOYSA-N 0 0 446.359 5.127 50 0 IKAARN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(Br)c1 ZINC000000623797 555511424 /nfs/dbraw/zinc/51/14/24/555511424.db2.gz KTKFBIVZOPZGNS-UHFFFAOYSA-N 0 0 427.689 5.089 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1)NC1CCCCC1 ZINC000000624640 555511988 /nfs/dbraw/zinc/51/19/88/555511988.db2.gz BLYQERXXTZBNPU-UHFFFAOYSA-N 0 0 443.569 5.229 50 0 IKAARN CCOC(=O)c1c2ccc3ccccc3n2c(C(=O)c2ccc(Cl)cc2)c1C(=O)OCC ZINC000000624972 555512026 /nfs/dbraw/zinc/51/20/26/555512026.db2.gz NORBPPNHBYPWAC-UHFFFAOYSA-N 0 0 449.890 5.330 50 0 IKAARN 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0 IKAARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccc(Br)cc1 ZINC000000630626 555514630 /nfs/dbraw/zinc/51/46/30/555514630.db2.gz YIXYFAXBNSMNFR-UHFFFAOYSA-N 0 0 449.142 5.555 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000000632221 555515255 /nfs/dbraw/zinc/51/52/55/555515255.db2.gz TYVUEUZZWYGLLQ-FGZHOGPDSA-N 0 0 430.558 5.274 50 0 IKAARN COc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000000633791 555516043 /nfs/dbraw/zinc/51/60/43/555516043.db2.gz GALHNWJWOBFTGP-DNQXCXABSA-N 0 0 442.906 5.153 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000633734 555516086 /nfs/dbraw/zinc/51/60/86/555516086.db2.gz VFKJIMSMWKLQNW-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000000634639 555516381 /nfs/dbraw/zinc/51/63/81/555516381.db2.gz DYFODVCKAZOLNC-UHFFFAOYSA-N 0 0 437.999 5.223 50 0 IKAARN Cc1ccc(CN2C(=O)CS[C@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000000634762 555516436 /nfs/dbraw/zinc/51/64/36/555516436.db2.gz KBVYUYNUCNIYTI-SANMLTNESA-N 0 0 425.557 5.622 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000000638944 555517856 /nfs/dbraw/zinc/51/78/56/555517856.db2.gz QHVCVIQHBSUEQM-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3cccnc3)cc2)cc1)Oc1cccnc1 ZINC000000640677 555518030 /nfs/dbraw/zinc/51/80/30/555518030.db2.gz GWKALPVMWPIPHK-UHFFFAOYSA-N 0 0 440.459 5.289 50 0 IKAARN CN(C(=O)Nc1cccc2c(NC(=O)N(C)C3CCCCC3)cccc12)C1CCCCC1 ZINC000000640602 555518068 /nfs/dbraw/zinc/51/80/68/555518068.db2.gz BUEWFUNALYATRZ-UHFFFAOYSA-N 0 0 436.600 6.433 50 0 IKAARN COc1cccc(C(=O)CSc2nnc(C)c3c(C)n(-c4cccc(Cl)c4)nc32)c1 ZINC000000642649 555518993 /nfs/dbraw/zinc/51/89/93/555518993.db2.gz RWOWNHLXPMIYCR-UHFFFAOYSA-N 0 0 438.940 5.069 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000000642346 555518998 /nfs/dbraw/zinc/51/89/98/555518998.db2.gz KDFXPHNHJSJQFR-UHFFFAOYSA-N 0 0 435.380 5.619 50 0 IKAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000643275 555519302 /nfs/dbraw/zinc/51/93/02/555519302.db2.gz UUVWIUUCXYLHDP-CQSZACIVSA-N 0 0 448.997 5.370 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)NCc2ccco2)C1 ZINC000000643947 555519616 /nfs/dbraw/zinc/51/96/16/555519616.db2.gz GQQUDKJXXAOLDH-CQSZACIVSA-N 0 0 426.538 5.267 50 0 IKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000000643980 555519749 /nfs/dbraw/zinc/51/97/49/555519749.db2.gz FBBXKAZTMCGTIE-MRXNPFEDSA-N 0 0 436.577 6.305 50 0 IKAARN C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000000644185 555519774 /nfs/dbraw/zinc/51/97/74/555519774.db2.gz KWCZNOWDQRRZIQ-LBPRGKRZSA-N 0 0 425.743 5.771 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cccnc1Cl ZINC000000646588 555520995 /nfs/dbraw/zinc/52/09/95/555520995.db2.gz GMTODCWBZIZXFT-LLVKDONJSA-N 0 0 438.862 5.330 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCc1ccc(F)cc1 ZINC000000646593 555521041 /nfs/dbraw/zinc/52/10/41/555521041.db2.gz SCJFVJUSBHXBEU-ZDUSSCGKSA-N 0 0 435.446 5.099 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000000646577 555521074 /nfs/dbraw/zinc/52/10/74/555521074.db2.gz MTHUTEYYKBPBQC-NSHDSACASA-N 0 0 439.409 5.560 50 0 IKAARN O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000000647160 555521329 /nfs/dbraw/zinc/52/13/29/555521329.db2.gz UEMRLALVFYSSCJ-UHFFFAOYSA-N 0 0 441.716 5.148 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(C)c4)c3N2)cc1 ZINC000000646987 555521370 /nfs/dbraw/zinc/52/13/70/555521370.db2.gz KHMYBUJMXMAJNU-PMACEKPBSA-N 0 0 428.458 5.721 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(OC)c(OC)c3)sc1C(C)(C)N2 ZINC000000647646 555521655 /nfs/dbraw/zinc/52/16/55/555521655.db2.gz XMBCLHDQIYCPKD-UHFFFAOYSA-N 0 0 428.579 6.012 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc32)c(OC)cc1Cl ZINC000000647601 555521682 /nfs/dbraw/zinc/52/16/82/555521682.db2.gz YZXLYPCEPPTYEC-UHFFFAOYSA-N 0 0 446.934 6.442 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000000647361 555521710 /nfs/dbraw/zinc/52/17/10/555521710.db2.gz DNVAVMKFCXIQOH-UHFFFAOYSA-N 0 0 425.113 5.253 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3ccccc3OC)nc(-c3ccccc3)nc12 ZINC000000648342 555521881 /nfs/dbraw/zinc/52/18/81/555521881.db2.gz NNYWZZIOUXPWQP-UHFFFAOYSA-N 0 0 429.545 5.599 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-c2ccccc2)cc1 ZINC000000648607 555521894 /nfs/dbraw/zinc/52/18/94/555521894.db2.gz UKNHSXFOUIKCIB-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccncc3)c3cc(Br)ccc3n2)cc1 ZINC000000648467 555521918 /nfs/dbraw/zinc/52/19/18/555521918.db2.gz DOMJFNDJDCLKST-UHFFFAOYSA-N 0 0 432.321 5.874 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000648722 555521939 /nfs/dbraw/zinc/52/19/39/555521939.db2.gz ZEEJGULTIFRXSS-UHFFFAOYSA-N 0 0 426.973 5.699 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000648684 555521958 /nfs/dbraw/zinc/52/19/58/555521958.db2.gz AJCAMWJBQXPVRZ-UHFFFAOYSA-N 0 0 448.979 5.551 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccccc1Cl ZINC000000648725 555521967 /nfs/dbraw/zinc/52/19/67/555521967.db2.gz NONRYCGRUQWIHQ-UHFFFAOYSA-N 0 0 426.973 5.699 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(COc2ccccc2Cl)o1 ZINC000000649017 555522077 /nfs/dbraw/zinc/52/20/77/555522077.db2.gz BWDVGRBLAQOALI-UHFFFAOYSA-N 0 0 430.209 6.437 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1sccc1C ZINC000000649270 555522137 /nfs/dbraw/zinc/52/21/37/555522137.db2.gz MHKZBTLUBIRRCQ-UHFFFAOYSA-N 0 0 428.535 5.108 50 0 IKAARN CC(=O)c1ccc(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000650643 555522586 /nfs/dbraw/zinc/52/25/86/555522586.db2.gz LRGAKUBJHHLLFS-UHFFFAOYSA-N 0 0 425.513 5.231 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)c1 ZINC000000650897 555522700 /nfs/dbraw/zinc/52/27/00/555522700.db2.gz JNRZHPHNJMTJGB-UHFFFAOYSA-N 0 0 444.560 5.047 50 0 IKAARN NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000000652275 555523193 /nfs/dbraw/zinc/52/31/93/555523193.db2.gz AMWHDMPMCGEUTH-HAVVHWLPSA-N 0 0 438.552 5.617 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc(C)c1-c1ccc(OC)cc1 ZINC000000651818 555523240 /nfs/dbraw/zinc/52/32/40/555523240.db2.gz HKIZUMKLFAMXTJ-UHFFFAOYSA-N 0 0 445.924 5.190 50 0 IKAARN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000653942 555524123 /nfs/dbraw/zinc/52/41/23/555524123.db2.gz XQLJEKZHOKUXAS-UHFFFAOYSA-N 0 0 442.302 5.663 50 0 IKAARN Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Cl)cc3)cc2)n1 ZINC000000654414 555524392 /nfs/dbraw/zinc/52/43/92/555524392.db2.gz QPZIWHYQIKWLHW-UHFFFAOYSA-N 0 0 445.950 6.033 50 0 IKAARN Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)nc1 ZINC000000654251 555524448 /nfs/dbraw/zinc/52/44/48/555524448.db2.gz BRSVFLWRHUWGAV-UHFFFAOYSA-N 0 0 437.834 5.086 50 0 IKAARN Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000655834 555524733 /nfs/dbraw/zinc/52/47/33/555524733.db2.gz KDIZYZOSYHGVLB-KRWDZBQOSA-N 0 0 425.488 5.067 50 0 IKAARN CC[C@H](C(=O)NCc1cccc(CNC(=O)[C@@H](CC)c2ccccc2)c1)c1ccccc1 ZINC000000656252 555524997 /nfs/dbraw/zinc/52/49/97/555524997.db2.gz BUNQATLBDRXHJI-UIOOFZCWSA-N 0 0 428.576 5.307 50 0 IKAARN CC[C@@H](C(=O)NCc1cccc(CNC(=O)[C@H](CC)c2ccccc2)c1)c1ccccc1 ZINC000000656260 555525091 /nfs/dbraw/zinc/52/50/91/555525091.db2.gz BUNQATLBDRXHJI-CLJLJLNGSA-N 0 0 428.576 5.307 50 0 IKAARN Cc1cc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c(C(C)C)cc1Cl ZINC000000659303 555526129 /nfs/dbraw/zinc/52/61/29/555526129.db2.gz WXMAVPNBQYFCFV-UHFFFAOYSA-N 0 0 426.973 5.882 50 0 IKAARN Cc1cc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)ccc1Br ZINC000000660275 555526357 /nfs/dbraw/zinc/52/63/57/555526357.db2.gz OPKHQMMWDTYKQN-UHFFFAOYSA-N 0 0 444.379 5.930 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(Br)cc4)sc3n2)cc1 ZINC000000661593 555527079 /nfs/dbraw/zinc/52/70/79/555527079.db2.gz CKVDORQGVKHKEP-UHFFFAOYSA-N 0 0 439.334 5.548 50 0 IKAARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000661451 555527096 /nfs/dbraw/zinc/52/70/96/555527096.db2.gz SNSRVWSGCDRHJQ-UHFFFAOYSA-N 0 0 441.871 5.319 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4Br)c(N)c3cc2C1 ZINC000000661875 555527104 /nfs/dbraw/zinc/52/71/04/555527104.db2.gz FSUBECGICZSEPZ-NSHDSACASA-N 0 0 430.371 5.408 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000000663828 555527436 /nfs/dbraw/zinc/52/74/36/555527436.db2.gz ZYCGSYDRFQBKNL-UHFFFAOYSA-N 0 0 432.486 5.494 50 0 IKAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 ZINC000000664309 555527625 /nfs/dbraw/zinc/52/76/25/555527625.db2.gz VYJVEZPNNYIZJP-UHFFFAOYSA-N 0 0 429.545 5.232 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 ZINC000000664008 555527635 /nfs/dbraw/zinc/52/76/35/555527635.db2.gz PLAIPWCUBNOPNL-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN CC[C@@H](C)OC(=O)c1c2c(sc1NC(=O)c1ccc(Br)o1)CCCC2 ZINC000000667153 555528966 /nfs/dbraw/zinc/52/89/66/555528966.db2.gz HHKKRCQXAZPTDG-SNVBAGLBSA-N 0 0 426.332 5.190 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000000666892 555528998 /nfs/dbraw/zinc/52/89/98/555528998.db2.gz AFYSOUNOGRXMIJ-UHFFFAOYSA-N 0 0 430.891 7.270 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1 ZINC000000668933 555529858 /nfs/dbraw/zinc/52/98/58/555529858.db2.gz MKRIZLUGGARBOR-UHFFFAOYSA-N 0 0 441.506 5.012 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c(C(N)=O)c1C ZINC000000668982 555530130 /nfs/dbraw/zinc/53/01/30/555530130.db2.gz VPTXOCUXXJWBNN-UHFFFAOYSA-N 0 0 441.965 5.646 50 0 IKAARN COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)cc1OC ZINC000000673487 555532176 /nfs/dbraw/zinc/53/21/76/555532176.db2.gz AOZDPIONIUYRRL-UHFFFAOYSA-N 0 0 432.303 5.842 50 0 IKAARN CC1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 ZINC000000673828 555532534 /nfs/dbraw/zinc/53/25/34/555532534.db2.gz BDRJBIBMMOPNCV-AAEUAGOBSA-N 0 0 432.899 5.130 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000674638 555533430 /nfs/dbraw/zinc/53/34/30/555533430.db2.gz LWPFUEWWXPFBDL-ZFWWWQNUSA-N 0 0 428.386 5.135 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000674649 555533449 /nfs/dbraw/zinc/53/34/49/555533449.db2.gz IEYCDARLMVPTPC-WFASDCNBSA-N 0 0 444.841 5.650 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000674650 555533487 /nfs/dbraw/zinc/53/34/87/555533487.db2.gz IEYCDARLMVPTPC-IUODEOHRSA-N 0 0 444.841 5.650 50 0 IKAARN CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674718 555533698 /nfs/dbraw/zinc/53/36/98/555533698.db2.gz LDTIVVFEFFISDE-DZGCQCFKSA-N 0 0 435.277 5.236 50 0 IKAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000000675131 555534105 /nfs/dbraw/zinc/53/41/05/555534105.db2.gz SDYDJBWUOMWXJC-BIMULSAOSA-N 0 0 435.277 5.379 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 ZINC000000675269 555534275 /nfs/dbraw/zinc/53/42/75/555534275.db2.gz KMQXEBKRCFGTHL-WMZOPIPTSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1I ZINC000000675387 555534355 /nfs/dbraw/zinc/53/43/55/555534355.db2.gz UFDAZGCVJMWYHM-UHFFFAOYSA-N 0 0 429.257 5.644 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 ZINC000000675266 555534391 /nfs/dbraw/zinc/53/43/91/555534391.db2.gz KMQXEBKRCFGTHL-AEFFLSMTSA-N 0 0 434.849 5.758 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)n(-c3ccc(Br)cc3)sc1C(C)(C)N2 ZINC000000677461 555535661 /nfs/dbraw/zinc/53/56/61/555535661.db2.gz DNRJDPRXIUJFHA-UHFFFAOYSA-N 0 0 433.396 6.367 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)cc1 ZINC000000677788 555535709 /nfs/dbraw/zinc/53/57/09/555535709.db2.gz XRIDYAXBMFDPEZ-UHFFFAOYSA-N 0 0 437.362 5.822 50 0 IKAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccs1 ZINC000000678326 555536120 /nfs/dbraw/zinc/53/61/20/555536120.db2.gz XGFQWEITNXPPPQ-UHFFFAOYSA-N 0 0 438.599 5.363 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000678777 555536234 /nfs/dbraw/zinc/53/62/34/555536234.db2.gz HCBKNWZRMVQYBR-UHFFFAOYSA-N 0 0 439.682 5.510 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000000678855 555536289 /nfs/dbraw/zinc/53/62/89/555536289.db2.gz QIDDMQFHHJTKKC-UHFFFAOYSA-N 0 0 439.540 5.527 50 0 IKAARN Cc1ccc2sc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1 ZINC000000679787 555537161 /nfs/dbraw/zinc/53/71/61/555537161.db2.gz OHSUAYKKJLXBAP-UHFFFAOYSA-N 0 0 445.935 5.758 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-n2cnnc2)ccc1Cl ZINC000000679776 555537169 /nfs/dbraw/zinc/53/71/69/555537169.db2.gz WXZZVCCEVUXFLB-UHFFFAOYSA-N 0 0 431.908 5.450 50 0 IKAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 ZINC000000680657 555537439 /nfs/dbraw/zinc/53/74/39/555537439.db2.gz KQYTXYJZTOLOCO-UHFFFAOYSA-N 0 0 434.952 5.680 50 0 IKAARN Cc1ccc(CSc2nnc(-c3cccc(NC(=O)c4ccccc4F)c3)n2C)cc1 ZINC000000680658 555537486 /nfs/dbraw/zinc/53/74/86/555537486.db2.gz ZYAMVCFWAJZRPR-UHFFFAOYSA-N 0 0 432.524 5.474 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1C ZINC000000682426 555538021 /nfs/dbraw/zinc/53/80/21/555538021.db2.gz VOTXVSSJWRKPAK-GFCCVEGCSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1C ZINC000000682427 555538023 /nfs/dbraw/zinc/53/80/23/555538023.db2.gz VOTXVSSJWRKPAK-LBPRGKRZSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c(C)c1 ZINC000000682576 555538180 /nfs/dbraw/zinc/53/81/80/555538180.db2.gz IZPLKDHUPUFCLV-GFCCVEGCSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000682579 555538223 /nfs/dbraw/zinc/53/82/23/555538223.db2.gz DMZDSSIXTVCWSK-LBPRGKRZSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)c2)cc1 ZINC000000683004 555538494 /nfs/dbraw/zinc/53/84/94/555538494.db2.gz OICCYXHWDBRVRD-PMACEKPBSA-N 0 0 432.520 5.115 50 0 IKAARN COc1cccc(C(=O)Oc2ccc3ccc(OC(=O)c4cccc(OC)c4)cc3c2)c1 ZINC000000683094 555538543 /nfs/dbraw/zinc/53/85/43/555538543.db2.gz FETHUOUCQCEMFG-UHFFFAOYSA-N 0 0 428.440 5.295 50 0 IKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 ZINC000000683019 555538547 /nfs/dbraw/zinc/53/85/47/555538547.db2.gz LHNVROSKACPLPQ-WOJBJXKFSA-N 0 0 432.520 5.115 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3ccc(OC(=O)c4ccc(OC)cc4)cc3c2)cc1 ZINC000000683132 555538644 /nfs/dbraw/zinc/53/86/44/555538644.db2.gz TVTGUMZJZVFBGG-UHFFFAOYSA-N 0 0 428.440 5.295 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(C)c(C)c1)Nc1ccc(Br)cc1-2 ZINC000000683378 555538695 /nfs/dbraw/zinc/53/86/95/555538695.db2.gz BUZJMNXVQWHSPZ-KRWDZBQOSA-N 0 0 429.343 5.143 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(OCC)cc2)cc1 ZINC000000683133 555538724 /nfs/dbraw/zinc/53/87/24/555538724.db2.gz JKCIVCUZGUUHLB-UHFFFAOYSA-N 0 0 439.895 5.609 50 0 IKAARN Cc1cccc(C)c1OCC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000000683275 555538727 /nfs/dbraw/zinc/53/87/27/555538727.db2.gz HPXVPSCDYGAFNO-UHFFFAOYSA-N 0 0 426.875 5.366 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(Cl)cc1Cl ZINC000000684345 555539157 /nfs/dbraw/zinc/53/91/57/555539157.db2.gz DXXGBLSGJNXZFQ-LJQANCHMSA-N 0 0 447.347 5.402 50 0 IKAARN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4ccc(Br)cc43)o2)cc1 ZINC000000684506 555539286 /nfs/dbraw/zinc/53/92/86/555539286.db2.gz PQUAXBXFGYTWLZ-PDGQHHTCSA-N 0 0 438.277 5.379 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000000684696 555539485 /nfs/dbraw/zinc/53/94/85/555539485.db2.gz CVKXLTVBYVCWOR-NRFANRHFSA-N 0 0 438.578 5.207 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1cccc3ccccc31)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000000684877 555539530 /nfs/dbraw/zinc/53/95/30/555539530.db2.gz FYTFISSWXIOFCK-JOCHJYFZSA-N 0 0 448.935 5.511 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000000685731 555539766 /nfs/dbraw/zinc/53/97/66/555539766.db2.gz XBPVRHWXMFLLRI-UHFFFAOYSA-N 0 0 435.296 5.733 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000000684885 555539828 /nfs/dbraw/zinc/53/98/28/555539828.db2.gz XWUGSNRVVFKXKK-GOSISDBHSA-N 0 0 433.320 5.011 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)c(C)c1 ZINC000000687421 555540479 /nfs/dbraw/zinc/54/04/79/555540479.db2.gz OYXIJZYDQZYETM-UHFFFAOYSA-N 0 0 438.597 5.174 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1sc2nc3c(cc2c1N)C[C@H](C)CC3 ZINC000000691686 555541659 /nfs/dbraw/zinc/54/16/59/555541659.db2.gz YPQQENUIPVYARB-SNVBAGLBSA-N 0 0 430.371 5.327 50 0 IKAARN CCC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 ZINC000000692599 555541866 /nfs/dbraw/zinc/54/18/66/555541866.db2.gz FCVNVGIFQJKNNW-UHFFFAOYSA-N 0 0 442.515 5.192 50 0 IKAARN CCOc1cc(C=O)ccc1Oc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000000693663 555542313 /nfs/dbraw/zinc/54/23/13/555542313.db2.gz PGWHFDOOUAAVDI-UHFFFAOYSA-N 0 0 427.464 5.362 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000000694685 555542539 /nfs/dbraw/zinc/54/25/39/555542539.db2.gz MUXGQKZNHPDMFX-UHFFFAOYSA-N 0 0 429.307 6.590 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000694457 555542570 /nfs/dbraw/zinc/54/25/70/555542570.db2.gz SNTPCEOHXDXZMV-UHFFFAOYSA-N 0 0 427.935 5.518 50 0 IKAARN COc1ccc(-c2nnc(SC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1 ZINC000000696062 555542829 /nfs/dbraw/zinc/54/28/29/555542829.db2.gz HEMKJQZGSZRNBB-UHFFFAOYSA-N 0 0 433.514 6.260 50 0 IKAARN Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1sc2ccccc2c1Cl ZINC000000702416 555542881 /nfs/dbraw/zinc/54/28/81/555542881.db2.gz NWEIVRNCEFSZLZ-UHFFFAOYSA-N 0 0 434.373 5.979 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000000703408 555543865 /nfs/dbraw/zinc/54/38/65/555543865.db2.gz PIZMZBZZLXKAAZ-UHFFFAOYSA-N 0 0 435.423 5.585 50 0 IKAARN COc1ccc(Oc2c(=O)c3ccc(OC(=O)C(C)(C)C)cc3oc2C(F)(F)F)cc1 ZINC000000703468 555543972 /nfs/dbraw/zinc/54/39/72/555543972.db2.gz RXCXZJMUIDSLLQ-UHFFFAOYSA-N 0 0 436.382 5.564 50 0 IKAARN O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)c1ccccc1 ZINC000000705022 555544733 /nfs/dbraw/zinc/54/47/33/555544733.db2.gz QISMBNKCWZFXIO-UHFFFAOYSA-N 0 0 430.510 5.072 50 0 IKAARN Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC000000707077 555545003 /nfs/dbraw/zinc/54/50/03/555545003.db2.gz NEXYBLQQFDKIPC-ZDUSSCGKSA-N 0 0 437.590 5.469 50 0 IKAARN Cc1cccc(-n2c(CSc3nc4ccccc4n3C)nc3ccccc3c2=O)c1C ZINC000000707412 555545347 /nfs/dbraw/zinc/54/53/47/555545347.db2.gz JYDCWDGZLDULLZ-UHFFFAOYSA-N 0 0 426.545 5.182 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)NCc2ccco2)C1 ZINC000000708356 555545791 /nfs/dbraw/zinc/54/57/91/555545791.db2.gz LZCQTNGEQZKHIJ-CYBMUJFWSA-N 0 0 428.941 5.302 50 0 IKAARN CCOC(=O)COc1cc2c(C(=O)OCC)c(C)n(Cc3ccccc3)c2c2ccccc12 ZINC000000709114 555546166 /nfs/dbraw/zinc/54/61/66/555546166.db2.gz RKSMCXKFBJAZPW-UHFFFAOYSA-N 0 0 445.515 5.270 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000000713067 555547678 /nfs/dbraw/zinc/54/76/78/555547678.db2.gz YSRRIXDWAXZPDM-MRXNPFEDSA-N 0 0 438.911 5.397 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000000713069 555547683 /nfs/dbraw/zinc/54/76/83/555547683.db2.gz YSRRIXDWAXZPDM-INIZCTEOSA-N 0 0 438.911 5.397 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)cc1 ZINC000000713016 555547783 /nfs/dbraw/zinc/54/77/83/555547783.db2.gz LBNHANMHNYISOF-MRXNPFEDSA-N 0 0 438.911 5.397 50 0 IKAARN CCOC(=O)c1sc2c(c1NC(=O)c1cc(Cl)cc(Cl)c1OC)CCCC2 ZINC000000713321 555548067 /nfs/dbraw/zinc/54/80/67/555548067.db2.gz OARCUMPQSXEXGI-UHFFFAOYSA-N 0 0 428.337 5.371 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)NCc4ccccc4)sc3c2)c1 ZINC000000713121 555548092 /nfs/dbraw/zinc/54/80/92/555548092.db2.gz JHDWMPXXLPPVCX-UHFFFAOYSA-N 0 0 447.585 5.266 50 0 IKAARN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000714956 555548205 /nfs/dbraw/zinc/54/82/05/555548205.db2.gz JCFCWGCVDGABCZ-RDJZCZTQSA-N 0 0 436.821 5.155 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000000714813 555548235 /nfs/dbraw/zinc/54/82/35/555548235.db2.gz UJBSCEQIYILHIL-XMMPIXPASA-N 0 0 441.531 5.261 50 0 biogenic IKAARN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000000714957 555548249 /nfs/dbraw/zinc/54/82/49/555548249.db2.gz JCFCWGCVDGABCZ-WBVHZDCISA-N 0 0 436.821 5.155 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1OC(=O)c1cccs1 ZINC000000716654 555548758 /nfs/dbraw/zinc/54/87/58/555548758.db2.gz SUPYVCHRVIGCDB-LJQANCHMSA-N 0 0 429.497 5.603 50 0 IKAARN COC(=O)c1c(C)n(CCOc2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(O)cc21 ZINC000000717183 555548847 /nfs/dbraw/zinc/54/88/47/555548847.db2.gz LJGZTNTUJLZFKW-UHFFFAOYSA-N 0 0 443.543 5.847 50 0 IKAARN COCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c(NC(=O)c3ccccc3)c21 ZINC000000717104 555548880 /nfs/dbraw/zinc/54/88/80/555548880.db2.gz IVJMPEPCHSBOBL-UHFFFAOYSA-N 0 0 428.517 5.547 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1ccc(Cl)cc1 ZINC000000719620 555549421 /nfs/dbraw/zinc/54/94/21/555549421.db2.gz AFRWYQLKMAAKAV-UHFFFAOYSA-N 0 0 435.954 5.877 50 0 IKAARN O=C1CS[C@@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000000717983 555549477 /nfs/dbraw/zinc/54/94/77/555549477.db2.gz GKJGBCNKCCPKHC-QHCPKHFHSA-N 0 0 431.948 5.967 50 0 IKAARN Cc1ccccc1O[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000720508 555549709 /nfs/dbraw/zinc/54/97/09/555549709.db2.gz QWWVMSACURUBBB-VXKWHMMOSA-N 0 0 441.405 5.278 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000720530 555549771 /nfs/dbraw/zinc/54/97/71/555549771.db2.gz FXVNSTZPSHWZMB-FGZHOGPDSA-N 0 0 425.843 5.052 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000720710 555549863 /nfs/dbraw/zinc/54/98/63/555549863.db2.gz JLVOTLFWEAVBET-FCHUYYIVSA-N 0 0 442.298 5.566 50 0 IKAARN COc1c(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)ccc2ccccc21 ZINC000000724242 555550807 /nfs/dbraw/zinc/55/08/07/555550807.db2.gz AAEPQRBCPMSHHY-UHFFFAOYSA-N 0 0 430.891 6.006 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000000724761 555551327 /nfs/dbraw/zinc/55/13/27/555551327.db2.gz SDKCQMCCXAEYPH-UHFFFAOYSA-N 0 0 430.504 5.953 50 0 IKAARN CCc1ccc(NC(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)cc1 ZINC000000726432 555551642 /nfs/dbraw/zinc/55/16/42/555551642.db2.gz XCLSFALMRDJHPX-UHFFFAOYSA-N 0 0 444.844 5.883 50 0 IKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc(Br)c1 ZINC000000726830 555551714 /nfs/dbraw/zinc/55/17/14/555551714.db2.gz RALINYHPMYDEIL-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727021 555551720 /nfs/dbraw/zinc/55/17/20/555551720.db2.gz CVKOIJVKLFRETD-BBLPBDBVSA-N 0 0 434.322 5.780 50 0 IKAARN O=C(Oc1ccccc1-c1nc2ccccc2c(=O)n1Cc1ccccc1)c1cccs1 ZINC000000727426 555551899 /nfs/dbraw/zinc/55/18/99/555551899.db2.gz CZRWTDIVQJTSGY-UHFFFAOYSA-N 0 0 438.508 5.393 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 ZINC000000728186 555551954 /nfs/dbraw/zinc/55/19/54/555551954.db2.gz DFRSBWPKXICJBC-UHFFFAOYSA-N 0 0 432.483 5.518 50 0 IKAARN COc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000000729504 555552537 /nfs/dbraw/zinc/55/25/37/555552537.db2.gz IDVWAKXQPFNNCL-BJKOFHAPSA-N 0 0 437.923 5.510 50 0 IKAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 ZINC000000729578 555552632 /nfs/dbraw/zinc/55/26/32/555552632.db2.gz XZBPLKWEYPOIEE-LEWJYISDSA-N 0 0 428.271 5.258 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1cc(C)ccc1C(C)(C)C ZINC000000729766 555552659 /nfs/dbraw/zinc/55/26/59/555552659.db2.gz FTLOOFKDJIUJGX-UHFFFAOYSA-N 0 0 431.554 5.059 50 0 IKAARN COc1ccc(C(=O)Nc2cc3ccccc3cc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000000755060 555553922 /nfs/dbraw/zinc/55/39/22/555553922.db2.gz PBZGZIPUXHUWSH-UHFFFAOYSA-N 0 0 426.472 5.362 50 0 IKAARN O=C(CSCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F ZINC000000779951 555554679 /nfs/dbraw/zinc/55/46/79/555554679.db2.gz UZNMXAVRURUYPB-UHFFFAOYSA-N 0 0 436.377 5.035 50 0 IKAARN COc1ccc2c(c1)c(CC(=O)Nc1ncccc1C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000784114 555555867 /nfs/dbraw/zinc/55/58/67/555555867.db2.gz CSTIHXQTCUDFHP-UHFFFAOYSA-N 0 0 447.922 5.185 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1ccccc1OC ZINC000000796582 555558312 /nfs/dbraw/zinc/55/83/12/555558312.db2.gz UELUGZLMCRICCD-IBGZPJMESA-N 0 0 435.553 5.078 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 ZINC000000796436 555558337 /nfs/dbraw/zinc/55/83/37/555558337.db2.gz IYENDCKUEWENKR-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN CN(C)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000009363731 555560283 /nfs/dbraw/zinc/56/02/83/555560283.db2.gz HMGMOYFFRIPUIV-UHFFFAOYSA-N 0 0 437.543 5.455 50 0 IKAARN CCc1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000000817179 555563195 /nfs/dbraw/zinc/56/31/95/555563195.db2.gz FLNNEAKYEPMLDR-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 ZINC000000822728 555564224 /nfs/dbraw/zinc/56/42/24/555564224.db2.gz WCFACGNOEPVCAP-UHFFFAOYSA-N 0 0 436.920 5.023 50 0 IKAARN O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000824912 555564786 /nfs/dbraw/zinc/56/47/86/555564786.db2.gz UNZBGBLFOCIRPH-GFCCVEGCSA-N 0 0 428.566 5.049 50 0 IKAARN O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000824911 555564848 /nfs/dbraw/zinc/56/48/48/555564848.db2.gz UNZBGBLFOCIRPH-LBPRGKRZSA-N 0 0 428.566 5.049 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1 ZINC000000828036 555565644 /nfs/dbraw/zinc/56/56/44/555565644.db2.gz BMSAQBYTIWNELQ-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN Nc1ccc(-c2nc3cc(C(=O)c4ccc5[nH]c(-c6ccc(N)cc6)nc5c4)ccc3[nH]2)cc1 ZINC000000829489 555566038 /nfs/dbraw/zinc/56/60/38/555566038.db2.gz RAUADVIPWKCDOA-UHFFFAOYSA-N 0 0 444.498 5.169 50 0 IKAARN Fc1cnc(Nc2cccc(Br)c2)nc1Nc1cccc(Br)c1 ZINC000000842996 555568402 /nfs/dbraw/zinc/56/84/02/555568402.db2.gz JMFBVEWGVFCOKD-UHFFFAOYSA-N 0 0 438.098 5.628 50 0 IKAARN Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000000843539 555568430 /nfs/dbraw/zinc/56/84/30/555568430.db2.gz QIPZVDQHCSKCMN-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN CCOC(=O)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000000845259 555569352 /nfs/dbraw/zinc/56/93/52/555569352.db2.gz URJVSBCGACFFKA-UHFFFAOYSA-N 0 0 448.626 5.008 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000000847728 555569878 /nfs/dbraw/zinc/56/98/78/555569878.db2.gz BYQVQWDBWVSLOE-UHFFFAOYSA-N 0 0 439.295 5.186 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000000848307 555570123 /nfs/dbraw/zinc/57/01/23/555570123.db2.gz GDGHFVSKZWWLKC-BJMVGYQFSA-N 0 0 433.758 5.802 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)cc1 ZINC000000848511 555570140 /nfs/dbraw/zinc/57/01/40/555570140.db2.gz WLUWRNLAOVPJMO-UHFFFAOYSA-N 0 0 448.788 5.116 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000000850292 555570507 /nfs/dbraw/zinc/57/05/07/555570507.db2.gz PYHBDWUFISHXOJ-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)cc1 ZINC000000854387 555571015 /nfs/dbraw/zinc/57/10/15/555571015.db2.gz GECUJXKYKYTSDR-GOSISDBHSA-N 0 0 425.282 5.042 50 0 IKAARN COc1ccc(-c2csc(Nc3ccc(I)cc3)n2)cc1F ZINC000000855370 555571133 /nfs/dbraw/zinc/57/11/33/555571133.db2.gz XRPATKOSVKOKTR-UHFFFAOYSA-N 0 0 426.254 5.306 50 0 IKAARN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 ZINC000000858951 555571925 /nfs/dbraw/zinc/57/19/25/555571925.db2.gz LOKYQZPVPIWNFO-UHFFFAOYSA-N 0 0 442.525 5.266 50 0 IKAARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc(-c2ccccc2)cc1 ZINC000000858935 555571966 /nfs/dbraw/zinc/57/19/66/555571966.db2.gz MIIDLBDLDYNGEH-VWLOTQADSA-N 0 0 449.506 5.286 50 0 IKAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000861383 555572561 /nfs/dbraw/zinc/57/25/61/555572561.db2.gz SLHUCIDDZHKHHM-XMMPIXPASA-N 0 0 428.488 5.159 50 0 IKAARN O=C1C[C@H](c2ccc(F)c(Br)c2)c2cc(Br)c3ccccc3c2N1 ZINC000000861534 555572644 /nfs/dbraw/zinc/57/26/44/555572644.db2.gz XIFPRMJTLFTFQQ-CYBMUJFWSA-N 0 0 449.117 5.978 50 0 IKAARN O=C1C[C@@H](c2ccc(F)c(Br)c2)c2cc(Br)c3ccccc3c2N1 ZINC000000861533 555572709 /nfs/dbraw/zinc/57/27/09/555572709.db2.gz XIFPRMJTLFTFQQ-ZDUSSCGKSA-N 0 0 449.117 5.978 50 0 IKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000000862963 555573227 /nfs/dbraw/zinc/57/32/27/555573227.db2.gz QIDHHZOZAXWXKU-UHFFFAOYSA-N 0 0 437.528 5.213 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(=O)C(C)(C)C ZINC000000863368 555573276 /nfs/dbraw/zinc/57/32/76/555573276.db2.gz XFCNZWNGVYKAFG-UHFFFAOYSA-N 0 0 436.961 5.432 50 0 IKAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865693 555573533 /nfs/dbraw/zinc/57/35/33/555573533.db2.gz RYUKZPBMUUHLPI-ZIAGYGMSSA-N 0 0 440.878 5.188 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865996 555573810 /nfs/dbraw/zinc/57/38/10/555573810.db2.gz KYXZGKZXZOKMIX-LEWJYISDSA-N 0 0 436.437 5.949 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865994 555573830 /nfs/dbraw/zinc/57/38/30/555573830.db2.gz KYXZGKZXZOKMIX-SFTDATJTSA-N 0 0 436.437 5.949 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000866506 555574021 /nfs/dbraw/zinc/57/40/21/555574021.db2.gz RQFQCESTUKGTTQ-SWLSCSKDSA-N 0 0 442.850 5.216 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000000870482 555575280 /nfs/dbraw/zinc/57/52/80/555575280.db2.gz PQFLQAAGPDTDOO-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN COc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000000872503 555575631 /nfs/dbraw/zinc/57/56/31/555575631.db2.gz HBUBWCDENLTNGB-UHFFFAOYSA-N 0 0 435.863 5.140 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2cccnc2)cc1 ZINC000000873222 555575804 /nfs/dbraw/zinc/57/58/04/555575804.db2.gz MLEYOGZKTWOUEO-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2cccnc2)cc1 ZINC000000873211 555575836 /nfs/dbraw/zinc/57/58/36/555575836.db2.gz MAXIAJZJOKXHIW-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN CCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)Nc3cccc(C(C)=O)c3)nc21 ZINC000000877542 555576465 /nfs/dbraw/zinc/57/64/65/555576465.db2.gz ZWFHETPBANFCLG-FQEVSTJZSA-N 0 0 447.564 5.102 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2C)cc1 ZINC000000877720 555576487 /nfs/dbraw/zinc/57/64/87/555576487.db2.gz YILIDOAUNPCPOT-UHFFFAOYSA-N 0 0 433.327 5.151 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1Cl ZINC000000881937 555577755 /nfs/dbraw/zinc/57/77/55/555577755.db2.gz JOFZTFBXLGRNFS-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN C[C@H]1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@@H](C)C1 ZINC000000885391 555578914 /nfs/dbraw/zinc/57/89/14/555578914.db2.gz ZYRVCLZZVJSJRM-KBPBESRZSA-N 0 0 435.515 5.000 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)c(OC)c1 ZINC000000887018 555579245 /nfs/dbraw/zinc/57/92/45/555579245.db2.gz AUNZBKJVCGQDOC-UHFFFAOYSA-N 0 0 445.544 5.353 50 0 IKAARN COc1cc(C(=O)Nc2ncc(Cc3cccc4ccccc43)s2)cc(OC)c1OC ZINC000000887347 555579312 /nfs/dbraw/zinc/57/93/12/555579312.db2.gz KQBBGSKJNIWWGH-UHFFFAOYSA-N 0 0 434.517 5.165 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000000888199 555579327 /nfs/dbraw/zinc/57/93/27/555579327.db2.gz PTKAGHZRNYWSFR-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000000890755 555579778 /nfs/dbraw/zinc/57/97/78/555579778.db2.gz OGHSKZBRJCGGFY-UHFFFAOYSA-N 0 0 447.482 5.519 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCc2ccccc2C1 ZINC000000901096 555581124 /nfs/dbraw/zinc/58/11/24/555581124.db2.gz VFCPIADYIAKBPO-HNNXBMFYSA-N 0 0 443.494 5.228 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1 ZINC000000901200 555581176 /nfs/dbraw/zinc/58/11/76/555581176.db2.gz CEVACBFGWWMVJA-AWEZNQCLSA-N 0 0 447.482 5.599 50 0 IKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1Cl ZINC000000902299 555581613 /nfs/dbraw/zinc/58/16/13/555581613.db2.gz DZJLAOVRLUXDOB-UHFFFAOYSA-N 0 0 448.253 5.793 50 0 IKAARN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)N(c1ccccc1)c1ccccc1 ZINC000000907474 555581955 /nfs/dbraw/zinc/58/19/55/555581955.db2.gz ZJNLFUNBBBLZKI-UHFFFAOYSA-N 0 0 429.480 5.102 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000000907644 555582032 /nfs/dbraw/zinc/58/20/32/555582032.db2.gz SOCYTDBCUQPJEQ-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)sc2c1 ZINC000000911936 555582810 /nfs/dbraw/zinc/58/28/10/555582810.db2.gz VOMBCMROPJMSKG-UHFFFAOYSA-N 0 0 436.537 5.026 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919581 555584042 /nfs/dbraw/zinc/58/40/42/555584042.db2.gz QYUVWDDMYYQMPU-LPHOPBHVSA-N 0 0 426.398 5.542 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC3CCCCC3)n2)cc1 ZINC000000920456 555584313 /nfs/dbraw/zinc/58/43/13/555584313.db2.gz PSQUMIHOMYZOPN-UHFFFAOYSA-N 0 0 439.503 5.102 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919583 555584337 /nfs/dbraw/zinc/58/43/37/555584337.db2.gz QYUVWDDMYYQMPU-APWZRJJASA-N 0 0 426.398 5.542 50 0 IKAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc12 ZINC000000935668 555585917 /nfs/dbraw/zinc/58/59/17/555585917.db2.gz XGVTXHOPENQYJE-NSHDSACASA-N 0 0 425.790 5.180 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000000937757 555586236 /nfs/dbraw/zinc/58/62/36/555586236.db2.gz CZEIQYUOSGRWGO-FQEVSTJZSA-N 0 0 430.548 5.833 50 0 IKAARN CCC(C)(C)c1ccc(OC[C@H](O)Cn2c(CO)nc3ccccc32)c(C(C)(C)CC)c1 ZINC000000938379 555586260 /nfs/dbraw/zinc/58/62/60/555586260.db2.gz HZTIHNISDNNIQF-HXUWFJFHSA-N 0 0 438.612 5.344 50 0 IKAARN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000000938758 555586443 /nfs/dbraw/zinc/58/64/43/555586443.db2.gz ZNFJNUZIIJVPDP-UHFFFAOYSA-N 0 0 428.513 5.942 50 0 IKAARN COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000000939239 555586477 /nfs/dbraw/zinc/58/64/77/555586477.db2.gz ZVDTWFFKHCOSEV-UHFFFAOYSA-N 0 0 432.090 5.091 50 0 IKAARN Cc1cc(C)cc(Oc2c(=O)c3ccc(OC(=O)c4ccco4)cc3oc2C(F)(F)F)c1 ZINC000000939325 555586498 /nfs/dbraw/zinc/58/64/98/555586498.db2.gz XCBOPQLNPBECAV-UHFFFAOYSA-N 0 0 444.361 6.033 50 0 IKAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009671686 555586711 /nfs/dbraw/zinc/58/67/11/555586711.db2.gz DQERLGGSBXUUBG-SOFGYWHQSA-N 0 0 434.845 5.919 50 0 IKAARN COc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000000941292 555586974 /nfs/dbraw/zinc/58/69/74/555586974.db2.gz JDHZMGGYYUSVEA-UHFFFAOYSA-N 0 0 432.090 5.091 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1OCC ZINC000000942093 555587033 /nfs/dbraw/zinc/58/70/33/555587033.db2.gz XAQXAMPMYXKCSH-UHFFFAOYSA-N 0 0 425.506 5.008 50 0 IKAARN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000942774 555587372 /nfs/dbraw/zinc/58/73/72/555587372.db2.gz ASSZKVAPTYGQRR-INIZCTEOSA-N 0 0 447.281 5.068 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000000944092 555587722 /nfs/dbraw/zinc/58/77/22/555587722.db2.gz RHMXJUBCCDYJFJ-INIZCTEOSA-N 0 0 427.566 5.783 50 0 IKAARN COC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000000944638 555588004 /nfs/dbraw/zinc/58/80/04/555588004.db2.gz WRJVOWARKGQBCW-UHFFFAOYSA-N 0 0 438.530 5.382 50 0 IKAARN Cc1sc2ncnc(SCC(=O)c3ccc4c(c3)OCCO4)c2c1-c1ccccc1 ZINC000000947661 555588226 /nfs/dbraw/zinc/58/82/26/555588226.db2.gz VHELSKKSBPOSEI-UHFFFAOYSA-N 0 0 434.542 5.413 50 0 IKAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1cc2ccccc2o1 ZINC000000950497 555588754 /nfs/dbraw/zinc/58/87/54/555588754.db2.gz KKWQCWDBBVFPRC-UHFFFAOYSA-N 0 0 444.487 5.735 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)Nc2c(F)cccc2F)n1 ZINC000000952449 555589359 /nfs/dbraw/zinc/58/93/59/555589359.db2.gz YWZYQTFVUZYSOJ-UHFFFAOYSA-N 0 0 427.501 5.676 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1C ZINC000000955493 555589945 /nfs/dbraw/zinc/58/99/45/555589945.db2.gz ZFJMVDKJVVXHNZ-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1Cl ZINC000000958129 555590549 /nfs/dbraw/zinc/59/05/49/555590549.db2.gz VZYZEMMNLGVLOK-UHFFFAOYSA-N 0 0 445.302 5.272 50 0 IKAARN Cc1cccc(Oc2coc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3c2=O)c1 ZINC000000958121 555590598 /nfs/dbraw/zinc/59/05/98/555590598.db2.gz BKCWXWKIVPBELH-UHFFFAOYSA-N 0 0 435.863 5.565 50 0 IKAARN CC(C)c1ccccc1Oc1coc2cc(OCC(=O)Nc3ccccc3)ccc2c1=O ZINC000000958157 555590602 /nfs/dbraw/zinc/59/06/02/555590602.db2.gz CREOYMALHHDHRM-UHFFFAOYSA-N 0 0 429.472 5.726 50 0 IKAARN COC(=O)c1cc(-c2c(C)oc3c(C)c(OCc4ccc(F)cc4)ccc3c2=O)c(C)o1 ZINC000000970909 555591420 /nfs/dbraw/zinc/59/14/20/555591420.db2.gz DDRAWQCKYSPTJI-UHFFFAOYSA-N 0 0 436.435 5.483 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccco1 ZINC000000970537 555591545 /nfs/dbraw/zinc/59/15/45/555591545.db2.gz RMQLAHBBJLFMCO-UHFFFAOYSA-N 0 0 431.311 5.097 50 0 IKAARN CCn1c(CNc2cccc(Cl)c2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000000976288 555592293 /nfs/dbraw/zinc/59/22/93/555592293.db2.gz WRQOIYGWISTPOI-MRXNPFEDSA-N 0 0 444.004 5.300 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)COc2cc(C)ccc2C(C)C)[C@@H]3CCC1 ZINC000000977934 555592767 /nfs/dbraw/zinc/59/27/67/555592767.db2.gz BYRLEBUQASPPDN-HFZDXXHNSA-N 0 0 432.608 5.514 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(F)cc1 ZINC000000980451 555593025 /nfs/dbraw/zinc/59/30/25/555593025.db2.gz CTMQKZNEOPFGPV-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000000980047 555593144 /nfs/dbraw/zinc/59/31/44/555593144.db2.gz XGMUQTRBDAISJP-UHFFFAOYSA-N 0 0 426.513 5.176 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000000980813 555593408 /nfs/dbraw/zinc/59/34/08/555593408.db2.gz NFGCHDIZVLBEGU-UHFFFAOYSA-N 0 0 448.950 5.410 50 0 IKAARN CCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000000982701 555593838 /nfs/dbraw/zinc/59/38/38/555593838.db2.gz WTZDKRPCDHKJQH-SANMLTNESA-N 0 0 430.573 5.318 50 0 aggregator IKAARN O=C(COc1ccc(C2=Nc3ccccc3N[C@@H](c3ccccc3)C2)cc1)Nc1ccccc1 ZINC000000984748 555594450 /nfs/dbraw/zinc/59/44/50/555594450.db2.gz OKYKYVZYYHJAIM-HHHXNRCGSA-N 0 0 447.538 6.382 50 0 IKAARN Cc1c(C(=O)NC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cnn1-c1ccccc1 ZINC000000985382 555594502 /nfs/dbraw/zinc/59/45/02/555594502.db2.gz DMQDYHFYYRKKMY-UHFFFAOYSA-N 0 0 446.894 5.588 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)c2ccccc2n3C)cc1 ZINC000000985535 555594526 /nfs/dbraw/zinc/59/45/26/555594526.db2.gz CHALOZHLJVOAIS-HHHXNRCGSA-N 0 0 433.511 6.111 50 0 IKAARN Cc1ccc(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br ZINC000000986081 555594854 /nfs/dbraw/zinc/59/48/54/555594854.db2.gz DKUSGLHEILFRMK-UHFFFAOYSA-N 0 0 439.305 5.376 50 0 IKAARN COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O ZINC000000987082 555595057 /nfs/dbraw/zinc/59/50/57/555595057.db2.gz SQRAMJXNIQROJE-UHFFFAOYSA-N 0 0 428.469 5.412 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1 ZINC000000988705 555595306 /nfs/dbraw/zinc/59/53/06/555595306.db2.gz ZLGMHJJVFLDMEG-UHFFFAOYSA-N 0 0 434.464 5.865 50 0 IKAARN Brc1ccc(-c2nnc(-c3ccc(Br)cc3)c3nocc32)cc1 ZINC000000987987 555595398 /nfs/dbraw/zinc/59/53/98/555595398.db2.gz YMGIKUYOLZFMPM-UHFFFAOYSA-N 0 0 431.087 5.477 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1 ZINC000000987998 555595426 /nfs/dbraw/zinc/59/54/26/555595426.db2.gz SKQLCILBFWYXCB-UHFFFAOYSA-N 0 0 445.931 5.550 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000000989845 555595595 /nfs/dbraw/zinc/59/55/95/555595595.db2.gz QNPADKXAKSFPGX-MHZLTWQESA-N 0 0 445.946 5.226 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000000989840 555595647 /nfs/dbraw/zinc/59/56/47/555595647.db2.gz QAOLECUIZWAQDW-MHZLTWQESA-N 0 0 447.962 5.645 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000000989776 555595678 /nfs/dbraw/zinc/59/56/78/555595678.db2.gz WNNKBUXDYRMKGG-UHFFFAOYSA-N 0 0 441.256 5.414 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000000990060 555595990 /nfs/dbraw/zinc/59/59/90/555595990.db2.gz NHVLJABGKLWMIZ-SANMLTNESA-N 0 0 433.935 5.471 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21)c1ccccc1 ZINC000000990938 555596316 /nfs/dbraw/zinc/59/63/16/555596316.db2.gz ZXULPBLSVJIGKZ-UHFFFAOYSA-N 0 0 446.300 5.704 50 0 IKAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2c1 ZINC000000992716 555596822 /nfs/dbraw/zinc/59/68/22/555596822.db2.gz OTIAMDWQWLIFBR-UHFFFAOYSA-N 0 0 432.479 5.732 50 0 IKAARN O=S(=O)(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 ZINC000000991940 555596830 /nfs/dbraw/zinc/59/68/30/555596830.db2.gz IDDMFIGNZORHGD-UHFFFAOYSA-N 0 0 425.509 6.586 50 0 IKAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1 ZINC000000993251 555597511 /nfs/dbraw/zinc/59/75/11/555597511.db2.gz SOMRHNSVELZKAF-HXUWFJFHSA-N 0 0 442.559 6.076 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 ZINC000000993247 555597538 /nfs/dbraw/zinc/59/75/38/555597538.db2.gz MHTVDFSLMVJGLJ-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN CCOc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc(OCC)c1OCC ZINC000000993664 555597656 /nfs/dbraw/zinc/59/76/56/555597656.db2.gz TUPTZRNORXORIO-UHFFFAOYSA-N 0 0 446.956 5.912 50 0 IKAARN CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)cc1 ZINC000000994225 555598102 /nfs/dbraw/zinc/59/81/02/555598102.db2.gz BRFYZARFHFNMPT-UHFFFAOYSA-N 0 0 440.425 5.375 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)c3ccccc3n2)o1 ZINC000000995217 555598324 /nfs/dbraw/zinc/59/83/24/555598324.db2.gz QLQAEPCHFWJBPF-UHFFFAOYSA-N 0 0 425.257 5.957 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCCc3cccc(Cl)c3)c3ccccc3n2)c(OC)c1 ZINC000000995252 555598349 /nfs/dbraw/zinc/59/83/49/555598349.db2.gz VFVZQJBGUPEXME-UHFFFAOYSA-N 0 0 446.934 5.545 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1OC ZINC000000995738 555598411 /nfs/dbraw/zinc/59/84/11/555598411.db2.gz QLHOMQCKIKXUEM-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000997266 555598948 /nfs/dbraw/zinc/59/89/48/555598948.db2.gz OTNPPVGHQISWCV-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)cc(Cl)c1OCc1ccccc1F ZINC000000997359 555598965 /nfs/dbraw/zinc/59/89/65/555598965.db2.gz WINWCYCELDDLGQ-WQRHYEAKSA-N 0 0 441.842 5.394 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1OC ZINC000000996942 555599003 /nfs/dbraw/zinc/59/90/03/555599003.db2.gz PLWNFKWGMMHNIP-UHFFFAOYSA-N 0 0 446.934 5.545 50 0 biogenic IKAARN NC(=O)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)CCCCCC2 ZINC000000997284 555599010 /nfs/dbraw/zinc/59/90/10/555599010.db2.gz BXJVEYCPVDKSEA-UHFFFAOYSA-N 0 0 432.545 5.382 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000000997876 555599283 /nfs/dbraw/zinc/59/92/83/555599283.db2.gz DXROIQWNCCCYOT-OAHLLOKOSA-N 0 0 437.565 5.214 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(COc2ccccc2Cl)o1 ZINC000000997587 555599292 /nfs/dbraw/zinc/59/92/92/555599292.db2.gz YGPUSPXDJWJIOA-UHFFFAOYSA-N 0 0 445.327 6.541 50 0 IKAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 ZINC000000999190 555599528 /nfs/dbraw/zinc/59/95/28/555599528.db2.gz FVVCYURBRKJNLE-UHFFFAOYSA-N 0 0 433.891 6.023 50 0 IKAARN O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCCCCC1 ZINC000000998727 555599659 /nfs/dbraw/zinc/59/96/59/555599659.db2.gz UEKNBIZOGBAHQT-DGCLKSJQSA-N 0 0 432.899 5.275 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000999451 555599860 /nfs/dbraw/zinc/59/98/60/555599860.db2.gz WHLYQWVLMOSFKL-WFASDCNBSA-N 0 0 428.773 5.181 50 0 IKAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)c3ccccc3F)cc21 ZINC000001000332 555600162 /nfs/dbraw/zinc/60/01/62/555600162.db2.gz GOEWDHZOQPKCHZ-UHFFFAOYSA-N 0 0 431.463 5.533 50 0 IKAARN COc1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc(OC)c1OC ZINC000000999797 555600184 /nfs/dbraw/zinc/60/01/84/555600184.db2.gz UVTTWQMNLOQPGL-UHFFFAOYSA-N 0 0 427.884 5.197 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(F)ccc4C)c3n2)cc1 ZINC000001003103 555600550 /nfs/dbraw/zinc/60/05/50/555600550.db2.gz SAOPHBLWMUYNQR-UHFFFAOYSA-N 0 0 426.398 5.042 50 0 IKAARN CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000001007596 555601054 /nfs/dbraw/zinc/60/10/54/555601054.db2.gz KLPXFZAJJDCXLC-OCKHKDLRSA-N 0 0 431.344 6.053 50 0 IKAARN COc1cc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1Cl ZINC000001010367 555601701 /nfs/dbraw/zinc/60/17/01/555601701.db2.gz AOVLRHMVUZZNBH-UHFFFAOYSA-N 0 0 445.972 5.460 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1O ZINC000001011872 555601874 /nfs/dbraw/zinc/60/18/74/555601874.db2.gz IOQGARGRFIELQS-UUASQNMZSA-N 0 0 440.702 5.058 50 0 IKAARN CN(C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl)C1CCCCC1 ZINC000001013685 555602471 /nfs/dbraw/zinc/60/24/71/555602471.db2.gz ZMOBOSJCOQJPHY-UHFFFAOYSA-N 0 0 442.894 5.535 50 0 IKAARN CC(=O)N(c1nc(CSc2n[nH]c(-c3ccccc3)n2)cs1)c1ccc(C)c(C)c1 ZINC000009684906 555602478 /nfs/dbraw/zinc/60/24/78/555602478.db2.gz VWYDAWFXHVUQTE-UHFFFAOYSA-N 0 0 435.578 5.522 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000001016906 555602849 /nfs/dbraw/zinc/60/28/49/555602849.db2.gz HSFZQAHEJIWXRP-JOCHJYFZSA-N 0 0 446.963 5.686 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc3oc(C(=O)c4ccccc4)c(N)c3c(-c3ccccc3)c12 ZINC000001016658 555602901 /nfs/dbraw/zinc/60/29/01/555602901.db2.gz XBBINPLWAIAMIQ-UHFFFAOYSA-N 0 0 444.494 5.955 50 0 IKAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000001019497 555603332 /nfs/dbraw/zinc/60/33/32/555603332.db2.gz VPHPCZJHDIRLCW-SFTDATJTSA-N 0 0 425.912 5.020 50 0 IKAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)c1nc3ccccc3nc12 ZINC000001020366 555603628 /nfs/dbraw/zinc/60/36/28/555603628.db2.gz ANFFCZSIBRJIPI-XZOQPEGZSA-N 0 0 436.353 5.360 50 0 IKAARN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)NC(=O)c1c(Cl)cccc1Cl ZINC000001026258 555604304 /nfs/dbraw/zinc/60/43/04/555604304.db2.gz TYILQIWLFKISJO-UHFFFAOYSA-N 0 0 429.325 5.101 50 0 IKAARN Cc1csc2c1ncnc2Sc1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000001026532 555604362 /nfs/dbraw/zinc/60/43/62/555604362.db2.gz JMEVPGHSIXRYDU-UHFFFAOYSA-N 0 0 427.576 5.260 50 0 IKAARN COc1ccc(Oc2ccc(NC(=O)Nc3ccc(SC(F)(F)F)cc3)cn2)cc1 ZINC000001025073 555604379 /nfs/dbraw/zinc/60/43/79/555604379.db2.gz DZVOBAPJCREFRW-UHFFFAOYSA-N 0 0 435.427 6.138 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000001026787 555604656 /nfs/dbraw/zinc/60/46/56/555604656.db2.gz JIOUAXCHDWOHGN-UHFFFAOYSA-N 0 0 433.430 5.906 50 0 IKAARN O=C(OCc1ccc(Cl)cc1)c1cnc(Nc2ccc(F)cc2)nc1C(F)(F)F ZINC000001026995 555604712 /nfs/dbraw/zinc/60/47/12/555604712.db2.gz BHZRBSPCYIAFRY-UHFFFAOYSA-N 0 0 425.769 5.389 50 0 IKAARN COc1ccc([C@@H](CC(=O)c2cccs2)Sc2ccccc2N)c(Cl)c1OC ZINC000001028742 555604996 /nfs/dbraw/zinc/60/49/96/555604996.db2.gz ROFYGJXWFMYXNU-LJQANCHMSA-N 0 0 433.982 6.107 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1csc2ccccc12 ZINC000001028692 555605000 /nfs/dbraw/zinc/60/50/00/555605000.db2.gz LMCGKPJMANKZCH-UHFFFAOYSA-N 0 0 431.344 6.144 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(Cl)c1OC ZINC000001028549 555605007 /nfs/dbraw/zinc/60/50/07/555605007.db2.gz DDNCBDWCHWSJOY-NYYWCZLTSA-N 0 0 445.302 5.850 50 0 IKAARN O=C(CSc1nncn1-c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000001028488 555605060 /nfs/dbraw/zinc/60/50/60/555605060.db2.gz PUYPPTPMNIPLTL-UHFFFAOYSA-N 0 0 446.376 5.036 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c(C)c1 ZINC000001030107 555605635 /nfs/dbraw/zinc/60/56/35/555605635.db2.gz HTICYNVFUGXKBU-GOSISDBHSA-N 0 0 432.549 5.572 50 0 IKAARN O=C(c1cc2ccccc2s1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001030109 555605664 /nfs/dbraw/zinc/60/56/64/555605664.db2.gz CXZLPYMOESSCIY-UHFFFAOYSA-N 0 0 427.982 5.517 50 0 IKAARN Cc1nc(-c2cc(-c3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)no3)no2)cs1 ZINC000001031497 555605914 /nfs/dbraw/zinc/60/59/14/555605914.db2.gz KHEVHSXKEXYOSV-UHFFFAOYSA-N 0 0 446.332 5.861 50 0 IKAARN CCc1cccc(CC)c1NC(=O)NC(=O)c1c(OC)c(Cl)cc(Cl)c1OC ZINC000001031329 555605949 /nfs/dbraw/zinc/60/59/49/555605949.db2.gz QYBAYZYCFZJHRR-UHFFFAOYSA-N 0 0 425.312 5.097 50 0 IKAARN CCOC(=O)c1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1Oc1cncc(Cl)c1 ZINC000001031451 555605988 /nfs/dbraw/zinc/60/59/88/555605988.db2.gz QWIDRVBPNQOYBR-UHFFFAOYSA-N 0 0 449.265 5.749 50 0 IKAARN CC(C)(C)c1cc(C(=O)NCc2csc3ccc(Cl)cc23)n(Cc2ccccc2)n1 ZINC000001032551 555606479 /nfs/dbraw/zinc/60/64/79/555606479.db2.gz QWCWTOCYEGHNBE-UHFFFAOYSA-N 0 0 437.996 6.027 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N1CCc2c3ccccc3[nH]c2[C@@H]1C(F)(F)F ZINC000001032649 555606539 /nfs/dbraw/zinc/60/65/39/555606539.db2.gz HBZNRNXGLYUDBY-LJQANCHMSA-N 0 0 431.439 5.090 50 0 IKAARN O=C(CSc1nc2ccccc2s1)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000001032655 555606612 /nfs/dbraw/zinc/60/66/12/555606612.db2.gz XEVASMCRBMFIPP-IBGZPJMESA-N 0 0 447.507 5.558 50 0 IKAARN Cc1onc(-c2ccccc2)c1NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000001033265 555606762 /nfs/dbraw/zinc/60/67/62/555606762.db2.gz OAPLLPAAPBUUTM-UHFFFAOYSA-N 0 0 427.386 5.499 50 0 IKAARN Cc1c2cc(Cl)ccc2sc1C(=O)CSc1n[nH]c(=O)n1[C@H](C)c1ccccc1 ZINC000001034083 555607422 /nfs/dbraw/zinc/60/74/22/555607422.db2.gz VXNXTVVLNHFZKR-CYBMUJFWSA-N 0 0 443.981 5.332 50 0 IKAARN COc1ccc(NC(=S)N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000001035508 555607676 /nfs/dbraw/zinc/60/76/76/555607676.db2.gz PYUFJBGQPSOPQQ-UPVQGACJSA-N 0 0 431.536 5.555 50 0 IKAARN CCN(CC)c1ncc2c(nc(SCc3ccccc3)nc2NCc2ccccc2)n1 ZINC000001036576 555608435 /nfs/dbraw/zinc/60/84/35/555608435.db2.gz CHDAOOCAVDZCMX-UHFFFAOYSA-N 0 0 430.581 5.170 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000001036438 555608469 /nfs/dbraw/zinc/60/84/69/555608469.db2.gz DAVXERYQVBYBCH-UHFFFAOYSA-N 0 0 437.546 5.199 50 0 IKAARN Cc1ccc(OC(C)(C)C(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)c2c1CCC2 ZINC000001038831 555609068 /nfs/dbraw/zinc/60/90/68/555609068.db2.gz UCVQORWCNCPVAC-UHFFFAOYSA-N 0 0 438.474 5.745 50 0 IKAARN CC(C)CSc1nnc(CSCc2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000001038683 555609073 /nfs/dbraw/zinc/60/90/73/555609073.db2.gz YPUOKOQXDIJFQI-UHFFFAOYSA-N 0 0 425.048 5.774 50 0 IKAARN CC(=O)c1cc(F)cc(Cl)c1OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001040743 555609690 /nfs/dbraw/zinc/60/96/90/555609690.db2.gz KLDISDQGKTZYES-UHFFFAOYSA-N 0 0 442.657 6.171 50 0 IKAARN COC(=O)[C@@H](Cc1csc2ccc(Cl)cc12)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000001039931 555609739 /nfs/dbraw/zinc/60/97/39/555609739.db2.gz VGFCTFUZMCPHIO-MRXNPFEDSA-N 0 0 441.858 5.088 50 0 IKAARN O=C(Nc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1O ZINC000001041846 555610015 /nfs/dbraw/zinc/61/00/15/555610015.db2.gz MUZVEBBPPDRKRV-UHFFFAOYSA-N 0 0 432.332 5.760 50 0 IKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Br)ccc1O ZINC000001041793 555610027 /nfs/dbraw/zinc/61/00/27/555610027.db2.gz COYGLAHOQQLALN-UHFFFAOYSA-N 0 0 425.307 5.684 50 0 IKAARN O=C(COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000001041851 555610064 /nfs/dbraw/zinc/61/00/64/555610064.db2.gz DLKYTFYCVBXAHX-UHFFFAOYSA-N 0 0 428.271 5.285 50 0 IKAARN COc1cccc(OC)c1CN(C)C(=O)c1cnc(Oc2ccccc2)cc1C(F)(F)F ZINC000001043092 555610210 /nfs/dbraw/zinc/61/02/10/555610210.db2.gz FTGVYISLKLQFBO-UHFFFAOYSA-N 0 0 446.425 5.182 50 0 IKAARN COc1ccccc1C1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC1 ZINC000001043317 555610233 /nfs/dbraw/zinc/61/02/33/555610233.db2.gz IISBBXRJZVHPJN-UHFFFAOYSA-N 0 0 445.346 5.985 50 0 IKAARN COc1ccc(CCNC(=O)[C@H](Sc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000001042457 555610244 /nfs/dbraw/zinc/61/02/44/555610244.db2.gz DQESNENXXNZISG-HSZRJFAPSA-N 0 0 441.980 5.550 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)c1c2c(nn1C)CCCC2 ZINC000001044643 555610644 /nfs/dbraw/zinc/61/06/44/555610644.db2.gz JSCWVQKZZOHSOY-UHFFFAOYSA-N 0 0 434.327 5.237 50 0 IKAARN Ic1ccc(Sc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000001044102 555610663 /nfs/dbraw/zinc/61/06/63/555610663.db2.gz IYGLEGXQALTWEC-UHFFFAOYSA-N 0 0 428.298 5.757 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC[C@H](c1ccc[nH]1)C(F)(F)F ZINC000001043680 555610695 /nfs/dbraw/zinc/61/06/95/555610695.db2.gz BFBNTRXRJWINCQ-SNVBAGLBSA-N 0 0 447.244 5.753 50 0 IKAARN O=C(Nc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC1 ZINC000001047097 555611141 /nfs/dbraw/zinc/61/11/41/555611141.db2.gz AYRCHFNSXHWIKH-UHFFFAOYSA-N 0 0 443.347 5.909 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000001047098 555611208 /nfs/dbraw/zinc/61/12/08/555611208.db2.gz VLYPLRRWQWDUDY-UHFFFAOYSA-N 0 0 430.331 5.686 50 0 IKAARN COc1ccc([C@@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001046671 555611253 /nfs/dbraw/zinc/61/12/53/555611253.db2.gz VPDBRKAZMIEIGB-HXUWFJFHSA-N 0 0 433.360 6.243 50 0 IKAARN FC(F)(F)c1nc(SCc2csc(COc3cc(Cl)cc(Cl)c3)n2)n[nH]1 ZINC000001047410 555611572 /nfs/dbraw/zinc/61/15/72/555611572.db2.gz CMXQGZGZBQPRQX-UHFFFAOYSA-N 0 0 441.287 5.458 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc(CSc3ccc(Cl)cc3)o2)cc1OC ZINC000001048626 555611753 /nfs/dbraw/zinc/61/17/53/555611753.db2.gz SPCQZFLMOSRBEK-UHFFFAOYSA-N 0 0 431.941 5.215 50 0 IKAARN COc1cc(NC(=O)Nc2c(C)onc2-c2ccccc2Cl)cc(C(F)(F)F)c1 ZINC000001048261 555611829 /nfs/dbraw/zinc/61/18/29/555611829.db2.gz BFLWBTROXVRKQD-UHFFFAOYSA-N 0 0 425.794 5.975 50 0 IKAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Cc1c(Cl)cccc1Cl ZINC000001048993 555612057 /nfs/dbraw/zinc/61/20/57/555612057.db2.gz XNIWCNAKGOVOIL-UHFFFAOYSA-N 0 0 429.756 5.288 50 0 IKAARN Cc1cc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccnc2)ccc1Cl ZINC000001049026 555612452 /nfs/dbraw/zinc/61/24/52/555612452.db2.gz JZCUOOVXMCFWNN-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Cc1cccc(C)c1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000001050640 555612963 /nfs/dbraw/zinc/61/29/63/555612963.db2.gz UOFFTQWHVYCGOF-UHFFFAOYSA-N 0 0 430.367 5.461 50 0 IKAARN O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1ccccc1I ZINC000001051535 555613292 /nfs/dbraw/zinc/61/32/92/555613292.db2.gz PUPGVBQUKAKMCM-ZDUSSCGKSA-N 0 0 432.088 5.205 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3nc4ccccc4o3)cc2)cc1 ZINC000001051559 555613342 /nfs/dbraw/zinc/61/33/42/555613342.db2.gz DEUNXAYEZGMSRS-UHFFFAOYSA-N 0 0 432.501 5.549 50 0 IKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 ZINC000001057509 555614865 /nfs/dbraw/zinc/61/48/65/555614865.db2.gz KQZZIWNKFMPVOD-CYBMUJFWSA-N 0 0 426.563 5.448 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2C)cc1 ZINC000001057035 555614874 /nfs/dbraw/zinc/61/48/74/555614874.db2.gz SQRXUVPKQOFQAS-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccc(OC)cc1 ZINC000001058153 555615160 /nfs/dbraw/zinc/61/51/60/555615160.db2.gz DQTUTJWJAVHSCP-UHFFFAOYSA-N 0 0 445.953 5.076 50 0 IKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000001060612 555616144 /nfs/dbraw/zinc/61/61/44/555616144.db2.gz DVVPQVXREDJTPO-UHFFFAOYSA-N 0 0 436.471 5.636 50 0 IKAARN O=C(CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001061619 555616407 /nfs/dbraw/zinc/61/64/07/555616407.db2.gz QDFFHIGGEACNEW-UHFFFAOYSA-N 0 0 435.526 5.149 50 0 aggregator IKAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001062790 555616956 /nfs/dbraw/zinc/61/69/56/555616956.db2.gz SWNXXDGGARGBHO-UHFFFAOYSA-N 0 0 442.943 5.281 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000001062707 555617021 /nfs/dbraw/zinc/61/70/21/555617021.db2.gz ILXUFWQQRJBVAK-UHFFFAOYSA-N 0 0 435.863 5.145 50 0 biogenic IKAARN COc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1NC(=O)c1cccs1 ZINC000001064449 555617525 /nfs/dbraw/zinc/61/75/25/555617525.db2.gz HTHSEBKABYFNHG-UHFFFAOYSA-N 0 0 442.949 6.129 50 0 IKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4sc5ccccc5c4Cl)c3)nc2c1 ZINC000001065232 555617855 /nfs/dbraw/zinc/61/78/55/555617855.db2.gz DLJUZOXVXFCJQH-UHFFFAOYSA-N 0 0 448.931 6.932 50 0 IKAARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1 ZINC000001065219 555617885 /nfs/dbraw/zinc/61/78/85/555617885.db2.gz OHFVLUBHWQGIAF-UHFFFAOYSA-N 0 0 440.249 5.076 50 0 IKAARN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc(Cl)c2)n1 ZINC000001065895 555618468 /nfs/dbraw/zinc/61/84/68/555618468.db2.gz HXZDHHOYLRFCQA-UHFFFAOYSA-N 0 0 426.954 6.224 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000001066925 555618724 /nfs/dbraw/zinc/61/87/24/555618724.db2.gz SIAKTUNLPPVHRY-UHFFFAOYSA-N 0 0 429.501 5.080 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000001067090 555619041 /nfs/dbraw/zinc/61/90/41/555619041.db2.gz OCALMWJEGIYRKW-UHFFFAOYSA-N 0 0 442.302 5.993 50 0 IKAARN COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)cc1OC ZINC000001068225 555619259 /nfs/dbraw/zinc/61/92/59/555619259.db2.gz RHEUCOWWJRCSMV-UHFFFAOYSA-N 0 0 432.907 5.502 50 0 IKAARN CCc1cc(C(=O)OC)c(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)s1 ZINC000001068404 555619583 /nfs/dbraw/zinc/61/95/83/555619583.db2.gz PUESVCWZBQAPPX-UHFFFAOYSA-N 0 0 445.544 5.576 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1Cl ZINC000001068330 555619592 /nfs/dbraw/zinc/61/95/92/555619592.db2.gz GBBKGIBGZOGXNU-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000001068428 555619626 /nfs/dbraw/zinc/61/96/26/555619626.db2.gz UHXQNWGZNNLKTG-UHFFFAOYSA-N 0 0 436.353 5.680 50 0 IKAARN O=C(Nc1ccc(I)cc1F)C(c1ccccc1)c1ccccc1 ZINC000001069134 555619980 /nfs/dbraw/zinc/61/99/80/555619980.db2.gz GBDHLSDLRSXDON-UHFFFAOYSA-N 0 0 431.248 5.201 50 0 IKAARN Cc1cc(C)c(C)c(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1 ZINC000001069484 555620199 /nfs/dbraw/zinc/62/01/99/555620199.db2.gz MNCMRAJQCOMFCN-UHFFFAOYSA-N 0 0 433.552 5.402 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001069389 555620202 /nfs/dbraw/zinc/62/02/02/555620202.db2.gz DZPVDXBMWJTAHS-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 ZINC000001069373 555620223 /nfs/dbraw/zinc/62/02/23/555620223.db2.gz BWMGZKUWBPPWQH-UHFFFAOYSA-N 0 0 429.545 5.806 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000001070112 555620820 /nfs/dbraw/zinc/62/08/20/555620820.db2.gz XAHMTUJMBYRLDO-JOCHJYFZSA-N 0 0 443.572 5.463 50 0 IKAARN COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cccs1 ZINC000001070579 555620827 /nfs/dbraw/zinc/62/08/27/555620827.db2.gz QYTSEOBRJYUBLW-UHFFFAOYSA-N 0 0 438.549 5.324 50 0 IKAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1OC ZINC000001070233 555620873 /nfs/dbraw/zinc/62/08/73/555620873.db2.gz NNPOGXLMFSLSQD-CQSZACIVSA-N 0 0 442.309 5.102 50 0 IKAARN CCn1c(SCC(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccccc1Cl ZINC000001070677 555621141 /nfs/dbraw/zinc/62/11/41/555621141.db2.gz XUQMBGBAHGMJAN-UHFFFAOYSA-N 0 0 447.948 5.098 50 0 IKAARN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nn12 ZINC000001070941 555621186 /nfs/dbraw/zinc/62/11/86/555621186.db2.gz LPIMFAXMTUBNRW-UHFFFAOYSA-N 0 0 435.896 5.327 50 0 IKAARN Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000001073488 555622597 /nfs/dbraw/zinc/62/25/97/555622597.db2.gz AGIFIWNISXOOHA-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccc(Cl)c(C)c3n2)c1 ZINC000001073986 555622883 /nfs/dbraw/zinc/62/28/83/555622883.db2.gz BOKUFZDUUFLMBR-UHFFFAOYSA-N 0 0 436.939 5.151 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000001074082 555622889 /nfs/dbraw/zinc/62/28/89/555622889.db2.gz KQNIBABOTTVOEX-UHFFFAOYSA-N 0 0 446.348 6.182 50 0 IKAARN Cc1cc(OC(F)F)ccc1NC(=O)c1cc(-c2ccncc2)nc2c(Cl)cccc12 ZINC000001073826 555622904 /nfs/dbraw/zinc/62/29/04/555622904.db2.gz DYTPRNAAKXPZCN-UHFFFAOYSA-N 0 0 439.849 6.112 50 0 IKAARN O=C(NCc1ccccc1F)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000001074049 555622945 /nfs/dbraw/zinc/62/29/45/555622945.db2.gz AFSCTTNFAYQRBC-UHFFFAOYSA-N 0 0 436.284 5.128 50 0 IKAARN CCC(CC)C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(CC)CC)c2)c1 ZINC000001074494 555623124 /nfs/dbraw/zinc/62/31/24/555623124.db2.gz DOWDJPCYFZEHBW-UHFFFAOYSA-N 0 0 444.597 5.269 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)cc1Cl ZINC000001074146 555623177 /nfs/dbraw/zinc/62/31/77/555623177.db2.gz GFYYDVHKMDJYDT-UHFFFAOYSA-N 0 0 447.922 5.837 50 0 IKAARN O=C(Nc1ccc(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)cc1)c1ccco1 ZINC000001074753 555623647 /nfs/dbraw/zinc/62/36/47/555623647.db2.gz PPOVFVSVFANKNQ-UHFFFAOYSA-N 0 0 425.440 5.120 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000001076374 555624292 /nfs/dbraw/zinc/62/42/92/555624292.db2.gz SHDQAMIFOJALCO-RZFDLJBBSA-N 0 0 437.539 5.086 50 0 IKAARN Cc1sc2ncnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1C ZINC000001077458 555624969 /nfs/dbraw/zinc/62/49/69/555624969.db2.gz LFRTVEXUWXMXQJ-UHFFFAOYSA-N 0 0 431.892 5.711 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)N1CCc2ccccc21 ZINC000001078078 555625254 /nfs/dbraw/zinc/62/52/54/555625254.db2.gz GGWXJWIIHIPMSP-UHFFFAOYSA-N 0 0 446.963 5.269 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2)c1ccco1 ZINC000001081053 555625966 /nfs/dbraw/zinc/62/59/66/555625966.db2.gz ZYLMNOORVXQLGE-UHFFFAOYSA-N 0 0 445.338 5.487 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1Cl ZINC000001094701 555627540 /nfs/dbraw/zinc/62/75/40/555627540.db2.gz ULRNEZZNZIYBIO-UHFFFAOYSA-N 0 0 441.318 5.605 50 0 IKAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001096454 555627737 /nfs/dbraw/zinc/62/77/37/555627737.db2.gz WPCAOBFPLZEFQF-UHFFFAOYSA-N 0 0 425.941 5.327 50 0 IKAARN Cc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001094951 555627808 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FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccnc2)c1 ZINC000001108865 555630491 /nfs/dbraw/zinc/63/04/91/555630491.db2.gz YTMKGXMRONIIEY-UHFFFAOYSA-N 0 0 445.448 6.113 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000001109432 555630799 /nfs/dbraw/zinc/63/07/99/555630799.db2.gz VMKCFQVFRFTYNF-UHFFFAOYSA-N 0 0 449.510 5.962 50 0 IKAARN O=C(COc1ccc(Cl)cc1Br)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001110067 555631074 /nfs/dbraw/zinc/63/10/74/555631074.db2.gz BLWMKQSDEQZAFZ-UHFFFAOYSA-N 0 0 443.046 5.792 50 0 IKAARN CC(=O)c1c(C)n(-c2nc(-c3ccc(Br)cc3)c(C)s2)c(C)c1C(C)=O ZINC000001110114 555631122 /nfs/dbraw/zinc/63/11/22/555631122.db2.gz VZWFXOMJNARCDK-UHFFFAOYSA-N 0 0 431.355 5.694 50 0 IKAARN CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000001110601 555631375 /nfs/dbraw/zinc/63/13/75/555631375.db2.gz VMZNXSDVBXKHLV-UHFFFAOYSA-N 0 0 449.601 5.209 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001111477 555631739 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O=C(c1cc(Cl)ccc1Cl)N1CCCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000001113620 555633278 /nfs/dbraw/zinc/63/32/78/555633278.db2.gz AAAINIAERWZHHX-UHFFFAOYSA-N 0 0 446.161 5.289 50 0 IKAARN Cc1cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)ccc1Cl ZINC000001115134 555634029 /nfs/dbraw/zinc/63/40/29/555634029.db2.gz FGMNGIAMODPQKB-UHFFFAOYSA-N 0 0 427.291 5.053 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)ccc1NC(=O)[C@H](CC)Oc1ccccc1 ZINC000001115178 555634060 /nfs/dbraw/zinc/63/40/60/555634060.db2.gz FNDNFNGDOOWAOK-LOSJGSFVSA-N 0 0 446.547 5.587 50 0 IKAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000001115403 555634173 /nfs/dbraw/zinc/63/41/73/555634173.db2.gz CTUJQFYIHWKELB-ZDUSSCGKSA-N 0 0 425.381 5.394 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001115717 555634225 /nfs/dbraw/zinc/63/42/25/555634225.db2.gz HELAVOAYVFEPNG-GFCCVEGCSA-N 0 0 428.275 5.603 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001115967 555634460 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50 0 IKAARN O=C(c1ccccc1I)N(Cc1ccccc1)Cc1ccccc1 ZINC000001116606 555634666 /nfs/dbraw/zinc/63/46/66/555634666.db2.gz ILOUSYNRJGHZFQ-UHFFFAOYSA-N 0 0 427.285 5.134 50 0 IKAARN O=C(CCc1ccccc1)Nc1nnc(SCc2ccc(Br)cc2)s1 ZINC000001116401 555634685 /nfs/dbraw/zinc/63/46/85/555634685.db2.gz OLDONRODEOCEEA-UHFFFAOYSA-N 0 0 434.384 5.164 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000001116868 555634908 /nfs/dbraw/zinc/63/49/08/555634908.db2.gz VCSRDQQILYNXEM-OAHLLOKOSA-N 0 0 443.330 5.581 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccc(OC)cc2)c2ccccc2OC)C(C)=O)cc1 ZINC000001117225 555634992 /nfs/dbraw/zinc/63/49/92/555634992.db2.gz VVISYOCMEMQWMU-VWLOTQADSA-N 0 0 433.548 5.283 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccnc4)cc3)nc2c1 ZINC000001117741 555635546 /nfs/dbraw/zinc/63/55/46/555635546.db2.gz PAOZJMMIAKHOML-HNNXBMFYSA-N 0 0 430.533 5.530 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000001118837 555636077 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CSc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)c1 ZINC000001119678 555636992 /nfs/dbraw/zinc/63/69/92/555636992.db2.gz IOLIVDSWHKHDDA-UHFFFAOYSA-N 0 0 446.601 5.695 50 0 IKAARN CC(C)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001119700 555637001 /nfs/dbraw/zinc/63/70/01/555637001.db2.gz CJVQFSRPEPDXNV-UHFFFAOYSA-N 0 0 442.968 5.297 50 0 IKAARN Cc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000001120861 555637686 /nfs/dbraw/zinc/63/76/86/555637686.db2.gz LUFWURKPZFGVHD-UHFFFAOYSA-N 0 0 430.617 5.648 50 0 IKAARN CSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@@H]1C)Nc1ccc(Br)cc1-2 ZINC000001121565 555638234 /nfs/dbraw/zinc/63/82/34/555638234.db2.gz JGMCBJMVRNZPQS-XTQGRXLLSA-N 0 0 433.375 5.146 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000001122463 555638448 /nfs/dbraw/zinc/63/84/48/555638448.db2.gz ZOUPALAXPQZECC-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000001122711 555638789 /nfs/dbraw/zinc/63/87/89/555638789.db2.gz JCPJESFIRRUNKL-UHFFFAOYSA-N 0 0 440.459 6.193 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001122999 555638880 /nfs/dbraw/zinc/63/88/80/555638880.db2.gz MUUNPYQAISKCIW-UHFFFAOYSA-N 0 0 443.728 5.536 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(-c3cc(Cl)ccc3Cl)oc2C)cc1OC ZINC000001123126 555638911 /nfs/dbraw/zinc/63/89/11/555638911.db2.gz MNLYLUHHQUAZPX-UHFFFAOYSA-N 0 0 434.319 5.552 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2)n1-c1ccccc1 ZINC000001124112 555639550 /nfs/dbraw/zinc/63/95/50/555639550.db2.gz HMUNLCBFHIJTPI-UHFFFAOYSA-N 0 0 445.548 5.140 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 ZINC000001124266 555639610 /nfs/dbraw/zinc/63/96/10/555639610.db2.gz BLBODZFHGYQMDW-UHFFFAOYSA-N 0 0 448.979 5.686 50 0 IKAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1Cl ZINC000001124767 555639954 /nfs/dbraw/zinc/63/99/54/555639954.db2.gz IQCNZIICYSVODL-UHFFFAOYSA-N 0 0 426.925 5.575 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000001124594 555639973 /nfs/dbraw/zinc/63/99/73/555639973.db2.gz UDKLIEKKKQVITK-UHFFFAOYSA-N 0 0 436.309 5.562 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OC ZINC000001125759 555640511 /nfs/dbraw/zinc/64/05/11/555640511.db2.gz YTRMCPZDMLZPSR-UHFFFAOYSA-N 0 0 446.528 5.757 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1Br ZINC000001127623 555642037 /nfs/dbraw/zinc/64/20/37/555642037.db2.gz MSROQDQOEICYFL-UHFFFAOYSA-N 0 0 425.710 5.102 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)cc1 ZINC000001127747 555642235 /nfs/dbraw/zinc/64/22/35/555642235.db2.gz OCOPNYWDMKIPHN-UHFFFAOYSA-N 0 0 445.544 5.138 50 0 IKAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 ZINC000001128355 555642638 /nfs/dbraw/zinc/64/26/38/555642638.db2.gz ZPGZFLFWPJAKGK-NRFANRHFSA-N 0 0 446.528 5.424 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1OC ZINC000001130543 555644257 /nfs/dbraw/zinc/64/42/57/555644257.db2.gz QMUPOHFMMUKNJR-UHFFFAOYSA-N 0 0 436.891 6.018 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001130631 555644320 /nfs/dbraw/zinc/64/43/20/555644320.db2.gz ZPYOFBQIIIKKQM-AWEZNQCLSA-N 0 0 435.254 5.454 50 0 IKAARN Nc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C[C@@H](c1ccccc1Cl)N2 ZINC000001130987 555644456 /nfs/dbraw/zinc/64/44/56/555644456.db2.gz BHGIHUSZQOQJFR-VXKWHMMOSA-N 0 0 431.927 5.239 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C[C@H](c1ccccc1Cl)N2 ZINC000001130988 555644464 /nfs/dbraw/zinc/64/44/64/555644464.db2.gz BHGIHUSZQOQJFR-FGZHOGPDSA-N 0 0 431.927 5.239 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C ZINC000001131127 555644506 /nfs/dbraw/zinc/64/45/06/555644506.db2.gz KLJFBTMXCMYEIT-UHFFFAOYSA-N 0 0 435.380 5.643 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C[C@@H](c1ccccc1Cl)N2 ZINC000001130985 555644522 /nfs/dbraw/zinc/64/45/22/555644522.db2.gz BHGIHUSZQOQJFR-FCHUYYIVSA-N 0 0 431.927 5.239 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccccc1C ZINC000001132017 555645082 /nfs/dbraw/zinc/64/50/82/555645082.db2.gz DSJOXWTZWKIBLC-UHFFFAOYSA-N 0 0 430.504 5.953 50 0 IKAARN O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001132748 555645454 /nfs/dbraw/zinc/64/54/54/555645454.db2.gz NMNXCTRQWSKPRP-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccs2)cc1 ZINC000001132842 555645766 /nfs/dbraw/zinc/64/57/66/555645766.db2.gz KCQKHEZBINDWBP-UHFFFAOYSA-N 0 0 441.965 5.633 50 0 IKAARN COc1ccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)cc1OC ZINC000001133249 555646101 /nfs/dbraw/zinc/64/61/01/555646101.db2.gz YOMPMRMAWOTKTF-UHFFFAOYSA-N 0 0 426.538 5.334 50 0 IKAARN O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000001136468 555647132 /nfs/dbraw/zinc/64/71/32/555647132.db2.gz IKIIZKJYSBCJCN-UHFFFAOYSA-N 0 0 428.315 6.045 50 0 IKAARN O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000001137763 555647806 /nfs/dbraw/zinc/64/78/06/555647806.db2.gz WIEPJFIFQMDDTH-UHFFFAOYSA-N 0 0 434.380 5.542 50 0 IKAARN Cc1cc(Br)ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000001139122 555648747 /nfs/dbraw/zinc/64/87/47/555648747.db2.gz CGPWKFRCBCMKST-BWWMBTDCSA-N 0 0 444.328 5.154 50 0 IKAARN Cc1cc(Br)ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000001139121 555648771 /nfs/dbraw/zinc/64/87/71/555648771.db2.gz CGPWKFRCBCMKST-BBITVKMKSA-N 0 0 444.328 5.154 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000001139429 555649068 /nfs/dbraw/zinc/64/90/68/555649068.db2.gz IHLYVAVQKGOBTQ-UHFFFAOYSA-N 0 0 436.577 5.084 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000001140282 555649500 /nfs/dbraw/zinc/64/95/00/555649500.db2.gz DDBOLQSOLSPTNQ-UHFFFAOYSA-N 0 0 436.511 6.079 50 0 IKAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000001139964 555649504 /nfs/dbraw/zinc/64/95/04/555649504.db2.gz OEAXFVBLJWOIDF-UHFFFAOYSA-N 0 0 449.359 5.065 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000001141290 555650019 /nfs/dbraw/zinc/65/00/19/555650019.db2.gz RTROEQDZHYPYON-UHFFFAOYSA-N 0 0 449.407 5.645 50 0 IKAARN Cc1c(NC(=O)c2ccccc2SCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000001141180 555650028 /nfs/dbraw/zinc/65/00/28/555650028.db2.gz NCBGVQSPAZNJCU-UHFFFAOYSA-N 0 0 429.545 5.029 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000001141038 555650058 /nfs/dbraw/zinc/65/00/58/555650058.db2.gz HMZXPLWQTACRKY-UHFFFAOYSA-N 0 0 448.523 5.203 50 0 IKAARN CC(C)c1cc(I)ccc1NC(=O)CSc1ccc(F)cc1 ZINC000001141548 555650260 /nfs/dbraw/zinc/65/02/60/555650260.db2.gz AFLPRCWDROSVQX-UHFFFAOYSA-N 0 0 429.298 5.285 50 0 IKAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(F)c1C ZINC000001142374 555650642 /nfs/dbraw/zinc/65/06/42/555650642.db2.gz SSGQRIWYDHDWAR-UHFFFAOYSA-N 0 0 442.560 5.179 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000001142588 555650920 /nfs/dbraw/zinc/65/09/20/555650920.db2.gz WLCTWGQCBPAZPJ-VWLOTQADSA-N 0 0 441.556 5.534 50 0 IKAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2CC)cc1 ZINC000001143073 555651294 /nfs/dbraw/zinc/65/12/94/555651294.db2.gz GSCNJAUKFHBWIR-GOSISDBHSA-N 0 0 438.597 5.348 50 0 IKAARN NC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)cc2)sc2c1CCCC2 ZINC000001144675 555652445 /nfs/dbraw/zinc/65/24/45/555652445.db2.gz RPMQFKTWXYDYTL-UHFFFAOYSA-N 0 0 440.952 5.211 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1C ZINC000001145069 555652622 /nfs/dbraw/zinc/65/26/22/555652622.db2.gz FMGRNRUYMUYUAG-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN Cc1ccc(CN(c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000001144936 555652662 /nfs/dbraw/zinc/65/26/62/555652662.db2.gz JRZQEFMBMDNTHW-UHFFFAOYSA-N 0 0 436.577 5.139 50 0 IKAARN Cc1cc(I)ccc1NC(=O)CSCc1ccccc1Cl ZINC000001145340 555653059 /nfs/dbraw/zinc/65/30/59/555653059.db2.gz XZMCXLIKMAHRDK-UHFFFAOYSA-N 0 0 431.726 5.125 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc(OC)c1OC ZINC000001146670 555653771 /nfs/dbraw/zinc/65/37/71/555653771.db2.gz LLHOLJVZJPBQNF-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1Br ZINC000001146362 555653857 /nfs/dbraw/zinc/65/38/57/555653857.db2.gz IFDGLZYNCIXCPH-UHFFFAOYSA-N 0 0 440.775 5.499 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 ZINC000001148028 555654708 /nfs/dbraw/zinc/65/47/08/555654708.db2.gz ZEHZDXCAWWEUQK-QGZVFWFLSA-N 0 0 438.980 5.703 50 0 IKAARN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)C(c1ccccc1)c1ccccc1 ZINC000001149355 555655576 /nfs/dbraw/zinc/65/55/76/555655576.db2.gz FXAUGUJUYUAKCT-UHFFFAOYSA-N 0 0 432.479 5.258 50 0 IKAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)cc1 ZINC000001150734 555656366 /nfs/dbraw/zinc/65/63/66/555656366.db2.gz VXWVOGVDWGIQCK-OAHLLOKOSA-N 0 0 431.311 5.104 50 0 aggregator IKAARN Cc1cc(OCC(=O)c2ccc(Br)cc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001151720 555656731 /nfs/dbraw/zinc/65/67/31/555656731.db2.gz ZUIKDXORVFBYIQ-UHFFFAOYSA-N 0 0 427.294 5.004 50 0 IKAARN Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000001152049 555656892 /nfs/dbraw/zinc/65/68/92/555656892.db2.gz LHIDCGVSDLKXRK-UHFFFAOYSA-N 0 0 427.294 5.004 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001151894 555656904 /nfs/dbraw/zinc/65/69/04/555656904.db2.gz JKSWPJSRVMUILK-UHFFFAOYSA-N 0 0 427.504 5.955 50 0 IKAARN Cc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000001152129 555656933 /nfs/dbraw/zinc/65/69/33/555656933.db2.gz GBPGGKICRWTHGQ-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001153097 555657424 /nfs/dbraw/zinc/65/74/24/555657424.db2.gz YRRSREGEVTYTRY-UHFFFAOYSA-N 0 0 431.995 5.728 50 0 IKAARN Cc1ccc(OC(=O)CCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001153282 555657468 /nfs/dbraw/zinc/65/74/68/555657468.db2.gz OSLFXCUXKBAYEJ-UHFFFAOYSA-N 0 0 430.529 5.904 50 0 IKAARN CC(C)COc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1 ZINC000001154009 555657842 /nfs/dbraw/zinc/65/78/42/555657842.db2.gz DKGYSAOXGFTPCE-UHFFFAOYSA-N 0 0 429.685 5.232 50 0 IKAARN Cc1cc(I)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000001155101 555658450 /nfs/dbraw/zinc/65/84/50/555658450.db2.gz HTJVLDIGKAYKRB-UHFFFAOYSA-N 0 0 443.284 5.431 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001155959 555658640 /nfs/dbraw/zinc/65/86/40/555658640.db2.gz MNTBELBZFGOHEN-OAHLLOKOSA-N 0 0 445.581 5.345 50 0 IKAARN O=C(CSc1nnc(Cc2ccc(Cl)cc2)n1-c1ccccc1)NC1CCCCC1 ZINC000001156713 555659253 /nfs/dbraw/zinc/65/92/53/555659253.db2.gz BKXZFPGJBDSCFZ-UHFFFAOYSA-N 0 0 441.000 5.053 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 ZINC000001158324 555660195 /nfs/dbraw/zinc/66/01/95/555660195.db2.gz ZWUMCODCDHGZIG-MDWZMJQESA-N 0 0 438.578 5.044 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc1Cl ZINC000001158636 555660505 /nfs/dbraw/zinc/66/05/05/555660505.db2.gz LXSPVBCFFBPBRW-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000001160109 555661140 /nfs/dbraw/zinc/66/11/40/555661140.db2.gz NZRPFOGQKVFSQM-UHFFFAOYSA-N 0 0 442.588 5.400 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001161375 555662150 /nfs/dbraw/zinc/66/21/50/555662150.db2.gz XGDKKQQRUXDVMM-UHFFFAOYSA-N 0 0 435.427 5.150 50 0 IKAARN O=C1N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000001164040 555663309 /nfs/dbraw/zinc/66/33/09/555663309.db2.gz CSWYOWVRJXKMKG-LPYMAVHISA-N 0 0 436.870 5.151 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000001163626 555663334 /nfs/dbraw/zinc/66/33/34/555663334.db2.gz JALVLUKOKSHHNC-UHFFFAOYSA-N 0 0 439.298 5.609 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 ZINC000001164761 555663541 /nfs/dbraw/zinc/66/35/41/555663541.db2.gz NCPMOPGEMHWFQI-UHFFFAOYSA-N 0 0 439.924 5.494 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 ZINC000001164847 555663579 /nfs/dbraw/zinc/66/35/79/555663579.db2.gz CLDPPAUUBXVBIO-UHFFFAOYSA-N 0 0 433.533 5.656 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C=C1SC(=O)N(CC(=O)c2ccc(C)cc2)C1=O ZINC000001166377 555664038 /nfs/dbraw/zinc/66/40/38/555664038.db2.gz NMTMMNHAIUGVME-IUXPMGMMSA-N 0 0 436.316 5.230 50 0 IKAARN Cc1ccc(C(=O)CN2C(=O)SC(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000001166401 555664054 /nfs/dbraw/zinc/66/40/54/555664054.db2.gz CGYYIFBEGMCBSD-MTJSOVHGSA-N 0 0 437.904 5.828 50 0 IKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2oc1-c1ccccc1 ZINC000001166323 555664110 /nfs/dbraw/zinc/66/41/10/555664110.db2.gz MCWZMIDUVZXGBW-UHFFFAOYSA-N 0 0 439.464 5.216 50 0 IKAARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1Cl ZINC000001166295 555664147 /nfs/dbraw/zinc/66/41/47/555664147.db2.gz CINQDEPVFOCYMN-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN O=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1c1ccc(Cc2ccncc2)cc1 ZINC000001167454 555664733 /nfs/dbraw/zinc/66/47/33/555664733.db2.gz GPWWDXMFNSBPMC-UHFFFAOYSA-N 0 0 440.886 5.919 50 0 IKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4OC)cc3n2)cc1 ZINC000001167711 555664967 /nfs/dbraw/zinc/66/49/67/555664967.db2.gz CYGTXUFKTUIJDV-UHFFFAOYSA-N 0 0 436.899 5.042 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1Cl ZINC000001168180 555665285 /nfs/dbraw/zinc/66/52/85/555665285.db2.gz MZQCTYDKWZFQRD-UHFFFAOYSA-N 0 0 436.899 5.042 50 0 IKAARN COc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000001168583 555665287 /nfs/dbraw/zinc/66/52/87/555665287.db2.gz LWHOLWPETKAFKT-JOCHJYFZSA-N 0 0 428.517 5.343 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000001168069 555665299 /nfs/dbraw/zinc/66/52/99/555665299.db2.gz SDBKKLGNUPKOEG-UHFFFAOYSA-N 0 0 440.540 5.092 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000001169157 555665582 /nfs/dbraw/zinc/66/55/82/555665582.db2.gz BXXYDNYZPCDSMS-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)c1 ZINC000001169236 555665611 /nfs/dbraw/zinc/66/56/11/555665611.db2.gz JZBGEKWNQRUVCJ-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cccc(F)c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001169921 555665889 /nfs/dbraw/zinc/66/58/89/555665889.db2.gz DNSYYCLNYMMXIL-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1 ZINC000001169821 555665896 /nfs/dbraw/zinc/66/58/96/555665896.db2.gz IPJFTIAWTPUKJQ-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000001169830 555665927 /nfs/dbraw/zinc/66/59/27/555665927.db2.gz ORUWPIFETFLHSR-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001170196 555666160 /nfs/dbraw/zinc/66/61/60/555666160.db2.gz YEMKQSQRKSHFIQ-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)cc1 ZINC000001170402 555666216 /nfs/dbraw/zinc/66/62/16/555666216.db2.gz JUECCRJPDVSADK-QHCPKHFHSA-N 0 0 426.299 5.001 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)c1 ZINC000001171059 555666415 /nfs/dbraw/zinc/66/64/15/555666415.db2.gz UCKLYCBALOHWLR-UHFFFAOYSA-N 0 0 445.544 5.583 50 0 IKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000001170771 555666433 /nfs/dbraw/zinc/66/64/33/555666433.db2.gz DMIINQQUSNAUCJ-URFUVCHWSA-N 0 0 447.456 5.450 50 0 IKAARN COc1cc(C=O)ccc1OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001170746 555666440 /nfs/dbraw/zinc/66/64/40/555666440.db2.gz LRVIRJGXSLNBHV-UHFFFAOYSA-N 0 0 432.863 5.233 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000001170934 555666482 /nfs/dbraw/zinc/66/64/82/555666482.db2.gz HGNOBNZBTHGDRS-UHFFFAOYSA-N 0 0 434.858 5.169 50 0 IKAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000001171331 555666727 /nfs/dbraw/zinc/66/67/27/555666727.db2.gz AIIDDIRNYMATIX-UHFFFAOYSA-N 0 0 431.517 5.409 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cccc1-c1nc2ccccc2o1 ZINC000001171396 555666959 /nfs/dbraw/zinc/66/69/59/555666959.db2.gz DOZGHYOCNDQGSO-UHFFFAOYSA-N 0 0 445.544 5.717 50 0 IKAARN CCOc1cc(C=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000001172146 555667394 /nfs/dbraw/zinc/66/73/94/555667394.db2.gz FAFDJBBUPUXKIT-UHFFFAOYSA-N 0 0 432.257 5.235 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Br ZINC000001172427 555667537 /nfs/dbraw/zinc/66/75/37/555667537.db2.gz WERUMRBCPSKEMN-UHFFFAOYSA-N 0 0 448.169 5.281 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N2CCCC2)C1 ZINC000001172396 555667558 /nfs/dbraw/zinc/66/75/58/555667558.db2.gz RDOSWCPUUJVHBS-MRXNPFEDSA-N 0 0 428.573 5.527 50 0 IKAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000001172286 555667583 /nfs/dbraw/zinc/66/75/83/555667583.db2.gz AXMMPNLMSDDOOT-UHFFFAOYSA-N 0 0 431.517 5.409 50 0 IKAARN Cc1cc(C)cc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001172358 555667589 /nfs/dbraw/zinc/66/75/89/555667589.db2.gz LWGQKPBGXBTMPI-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1C ZINC000001172777 555667875 /nfs/dbraw/zinc/66/78/75/555667875.db2.gz NAHKOVBVRNRJQP-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)cc1 ZINC000001172930 555667888 /nfs/dbraw/zinc/66/78/88/555667888.db2.gz WZULUHALOVITCZ-UHFFFAOYSA-N 0 0 435.574 5.981 50 0 IKAARN Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)ccc1Cl ZINC000001172672 555667897 /nfs/dbraw/zinc/66/78/97/555667897.db2.gz FPFLFQILWILAQY-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OC)c4)cc3)nc2c1 ZINC000001174629 555668974 /nfs/dbraw/zinc/66/89/74/555668974.db2.gz WAUDSOAYBZHVAQ-UHFFFAOYSA-N 0 0 431.517 5.193 50 0 IKAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001174414 555669004 /nfs/dbraw/zinc/66/90/04/555669004.db2.gz UGMKLFJMNWXEKR-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000001174815 555669157 /nfs/dbraw/zinc/66/91/57/555669157.db2.gz YQGKFLXGKMXWMD-UHFFFAOYSA-N 0 0 427.957 5.512 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000001175116 555669205 /nfs/dbraw/zinc/66/92/05/555669205.db2.gz IHMPAZSZNHGAQR-UHFFFAOYSA-N 0 0 428.989 5.472 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000001175730 555669405 /nfs/dbraw/zinc/66/94/05/555669405.db2.gz SBRZOHMDFZRINX-UHFFFAOYSA-N 0 0 448.331 5.274 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000001175350 555669512 /nfs/dbraw/zinc/66/95/12/555669512.db2.gz UJIQIBDELPCRKB-UHFFFAOYSA-N 0 0 445.475 5.815 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000001176379 555669711 /nfs/dbraw/zinc/66/97/11/555669711.db2.gz RPBZXZUFRBQJTH-UHFFFAOYSA-N 0 0 430.533 5.314 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc2ccccc2o1 ZINC000001176296 555669721 /nfs/dbraw/zinc/66/97/21/555669721.db2.gz XDTYDRYQMBNHMB-UHFFFAOYSA-N 0 0 447.903 6.021 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001175759 555669738 /nfs/dbraw/zinc/66/97/38/555669738.db2.gz QXGFMFPWXYGHGN-UHFFFAOYSA-N 0 0 445.475 5.815 50 0 IKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000001175832 555669744 /nfs/dbraw/zinc/66/97/44/555669744.db2.gz BZMVGAFWPUQNHC-UHFFFAOYSA-N 0 0 427.485 5.676 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1)c1cccs1 ZINC000001176748 555669997 /nfs/dbraw/zinc/66/99/97/555669997.db2.gz GVYGUOFLHXNZCH-UHFFFAOYSA-N 0 0 428.513 5.832 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000001176501 555670093 /nfs/dbraw/zinc/67/00/93/555670093.db2.gz INQQWINIXGVKTC-UHFFFAOYSA-N 0 0 442.500 5.380 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cc2ccccc2o1 ZINC000001177055 555670216 /nfs/dbraw/zinc/67/02/16/555670216.db2.gz SEEBDXBRNCVZTH-UHFFFAOYSA-N 0 0 429.457 5.073 50 0 IKAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cc2ccccc2o1 ZINC000001178139 555670591 /nfs/dbraw/zinc/67/05/91/555670591.db2.gz JJZBYXLTXYBFLL-UHFFFAOYSA-N 0 0 449.919 5.465 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](CC(C)C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000001178437 555670789 /nfs/dbraw/zinc/67/07/89/555670789.db2.gz ZBWBOJAGGDOLQI-LJQANCHMSA-N 0 0 433.335 5.260 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](CC(C)C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000001178438 555670834 /nfs/dbraw/zinc/67/08/34/555670834.db2.gz ZBWBOJAGGDOLQI-IBGZPJMESA-N 0 0 433.335 5.260 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000001178439 555670844 /nfs/dbraw/zinc/67/08/44/555670844.db2.gz DLQACXIJDZIHSB-UHFFFAOYSA-N 0 0 436.284 5.693 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccs1 ZINC000001180473 555671415 /nfs/dbraw/zinc/67/14/15/555671415.db2.gz RJQKGSTWIJEJJI-UHFFFAOYSA-N 0 0 429.526 5.836 50 0 IKAARN CCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000001181399 555671921 /nfs/dbraw/zinc/67/19/21/555671921.db2.gz BAGSKNIBQRRKDX-PDGQHHTCSA-N 0 0 432.339 5.474 50 0 IKAARN COc1ccc2nc(NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)sc2c1 ZINC000001181274 555671929 /nfs/dbraw/zinc/67/19/29/555671929.db2.gz WGMHTGWITHMUPY-UHFFFAOYSA-N 0 0 434.304 5.827 50 0 IKAARN COc1cc(NC(=O)COc2cccc(C)c2C)ccc1-c1cc2ccccc2oc1=O ZINC000001182369 555672210 /nfs/dbraw/zinc/67/22/10/555672210.db2.gz AGIDOWYWMQQJNV-UHFFFAOYSA-N 0 0 429.472 5.103 50 0 IKAARN COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(C)(C)C)cc3)cc1)C2=O ZINC000001182101 555672227 /nfs/dbraw/zinc/67/22/27/555672227.db2.gz VNKBNMDSFLUHAC-UHFFFAOYSA-N 0 0 429.472 5.364 50 0 IKAARN CC(=O)N[C@H](n1c2ccccc2nc1SCc1ccccc1)C(Cl)(Cl)Cl ZINC000001182239 555672232 /nfs/dbraw/zinc/67/22/32/555672232.db2.gz VLYBLDBTQGGTFN-MRXNPFEDSA-N 0 0 428.772 5.334 50 0 IKAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000001182516 555672528 /nfs/dbraw/zinc/67/25/28/555672528.db2.gz OUZMVBDSGNHHJV-CYBMUJFWSA-N 0 0 428.941 5.946 50 0 IKAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000001183348 555673006 /nfs/dbraw/zinc/67/30/06/555673006.db2.gz ZKVQIGMHLJTHRD-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000001184097 555673401 /nfs/dbraw/zinc/67/34/01/555673401.db2.gz PDCTUJRQZGCQSU-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cc(Br)ccc1Cl ZINC000001184970 555673732 /nfs/dbraw/zinc/67/37/32/555673732.db2.gz DWHLIGFGYMAUDM-UHFFFAOYSA-N 0 0 441.716 5.397 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cccs1 ZINC000001185816 555673981 /nfs/dbraw/zinc/67/39/81/555673981.db2.gz WJLBSSDPBMDHBE-UHFFFAOYSA-N 0 0 448.356 5.990 50 0 IKAARN COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001187057 555674589 /nfs/dbraw/zinc/67/45/89/555674589.db2.gz QRZXGQUITUCURG-JOCHJYFZSA-N 0 0 441.449 5.667 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000001186939 555674646 /nfs/dbraw/zinc/67/46/46/555674646.db2.gz HPWQIGUKXISSPP-CYBMUJFWSA-N 0 0 425.941 5.426 50 0 IKAARN CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000001187398 555674884 /nfs/dbraw/zinc/67/48/84/555674884.db2.gz OPDGOSXGVNBMQL-UHFFFAOYSA-N 0 0 432.321 6.132 50 0 IKAARN O=C(Nc1ccc(I)cc1)C1c2ccccc2Oc2ccccc21 ZINC000001188239 555674979 /nfs/dbraw/zinc/67/49/79/555674979.db2.gz GHMXQQKCIKBZAQ-UHFFFAOYSA-N 0 0 427.241 5.168 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@@H](C)C3)cc1 ZINC000001188446 555675182 /nfs/dbraw/zinc/67/51/82/555675182.db2.gz DJXZRBWZOHEGTH-CYBMUJFWSA-N 0 0 426.563 5.448 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@H](C)C3)cc1 ZINC000001188445 555675203 /nfs/dbraw/zinc/67/52/03/555675203.db2.gz DJXZRBWZOHEGTH-ZDUSSCGKSA-N 0 0 426.563 5.448 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc(C)c1Cl ZINC000001189711 555675533 /nfs/dbraw/zinc/67/55/33/555675533.db2.gz FYRPOTHZMIQZAD-UHFFFAOYSA-N 0 0 441.318 5.362 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1Cl ZINC000001191506 555675783 /nfs/dbraw/zinc/67/57/83/555675783.db2.gz ODXJKUAWCSYKBY-UHFFFAOYSA-N 0 0 426.303 6.188 50 0 IKAARN CN(c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000001194109 555676374 /nfs/dbraw/zinc/67/63/74/555676374.db2.gz JBVXCTVKGWBMLW-UHFFFAOYSA-N 0 0 435.332 5.071 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000001193992 555676389 /nfs/dbraw/zinc/67/63/89/555676389.db2.gz HWOGQFJXCARILR-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)cc1 ZINC000001196659 555677086 /nfs/dbraw/zinc/67/70/86/555677086.db2.gz OYEIDDYREIXFFY-UHFFFAOYSA-N 0 0 448.320 5.563 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Br)cc1 ZINC000001197914 555677645 /nfs/dbraw/zinc/67/76/45/555677645.db2.gz YVBCLQQPCAJWPP-UHFFFAOYSA-N 0 0 426.097 5.972 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3ccccc3n2)c1 ZINC000001200350 555678212 /nfs/dbraw/zinc/67/82/12/555678212.db2.gz PGYSNGOZLZOLJW-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc1 ZINC000001200318 555678226 /nfs/dbraw/zinc/67/82/26/555678226.db2.gz DKSIHXQGIXMYJI-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001204880 555679967 /nfs/dbraw/zinc/67/99/67/555679967.db2.gz IPXJSLVWKHQYIC-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN CC(C)c1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000001204453 555679981 /nfs/dbraw/zinc/67/99/81/555679981.db2.gz PXNDBGCYBLVKCP-UHFFFAOYSA-N 0 0 438.549 5.007 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000001206049 555680294 /nfs/dbraw/zinc/68/02/94/555680294.db2.gz AGOQGEOIMNBBAB-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccco3)c2)c1 ZINC000001208314 555681239 /nfs/dbraw/zinc/68/12/39/555681239.db2.gz HAQUXOOOSHRPJS-UHFFFAOYSA-N 0 0 428.872 5.235 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(C)c1Cl ZINC000001207792 555681255 /nfs/dbraw/zinc/68/12/55/555681255.db2.gz TUJBQTBICJQXNH-UHFFFAOYSA-N 0 0 443.330 5.880 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 ZINC000001209361 555681648 /nfs/dbraw/zinc/68/16/48/555681648.db2.gz LQABZVDVRZWTED-UHFFFAOYSA-N 0 0 438.487 5.152 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c(Br)c2)c(C)c1 ZINC000001210024 555681891 /nfs/dbraw/zinc/68/18/91/555681891.db2.gz KSZGYGGMKADUAL-UHFFFAOYSA-N 0 0 448.338 5.132 50 0 IKAARN CCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 ZINC000001209607 555681940 /nfs/dbraw/zinc/68/19/40/555681940.db2.gz VWFLKORDIZUZHW-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3O)nc2c1 ZINC000001210790 555682210 /nfs/dbraw/zinc/68/22/10/555682210.db2.gz CORAMDDJSVJNBZ-UHFFFAOYSA-N 0 0 448.475 5.041 50 0 IKAARN COc1ccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc32)cc1 ZINC000001210420 555682213 /nfs/dbraw/zinc/68/22/13/555682213.db2.gz FKGXYCVCTGOCMQ-UHFFFAOYSA-N 0 0 425.488 5.575 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccc(Br)c1 ZINC000001210329 555682241 /nfs/dbraw/zinc/68/22/41/555682241.db2.gz RQWIPOJSSOZOLA-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1Br ZINC000001213021 555682716 /nfs/dbraw/zinc/68/27/16/555682716.db2.gz ZJCQNJNLMXGFFJ-UHFFFAOYSA-N 0 0 441.272 5.768 50 0 IKAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000001212878 555682722 /nfs/dbraw/zinc/68/27/22/555682722.db2.gz FVOLTTCLNCEAEU-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN O=C1N=C2Nc3ccccc3NC(c3ccccc3)=C2[C@H](c2ccc(OC(F)F)cc2)N1 ZINC000001213486 555683040 /nfs/dbraw/zinc/68/30/40/555683040.db2.gz IANTYBHTOJEEMM-NRFANRHFSA-N 0 0 432.430 5.209 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001214215 555683362 /nfs/dbraw/zinc/68/33/62/555683362.db2.gz YIRSETAAXJWYCQ-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 ZINC000001215047 555683617 /nfs/dbraw/zinc/68/36/17/555683617.db2.gz IGDXBCADDMUZQD-UHFFFAOYSA-N 0 0 426.563 5.592 50 0 IKAARN COc1cc(C(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2C)cc(OC)c1OC ZINC000001215129 555683654 /nfs/dbraw/zinc/68/36/54/555683654.db2.gz QXJJMUPDMGPDAU-UHFFFAOYSA-N 0 0 432.929 5.019 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(Br)c1 ZINC000001216318 555683964 /nfs/dbraw/zinc/68/39/64/555683964.db2.gz AZAHTTURNINGDU-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN CC(C)c1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000001215988 555683984 /nfs/dbraw/zinc/68/39/84/555683984.db2.gz CFUVKXMWZFVSBB-QGZVFWFLSA-N 0 0 439.353 5.515 50 0 IKAARN Cc1cc2ncn(C[C@@H](O)COc3ccc4ccccc4c3Br)c2cc1C ZINC000001215646 555683989 /nfs/dbraw/zinc/68/39/89/555683989.db2.gz RVTIYJVWGJKANT-QGZVFWFLSA-N 0 0 425.326 5.009 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000001218278 555684818 /nfs/dbraw/zinc/68/48/18/555684818.db2.gz KWLJACLXVVLYJT-LBPRGKRZSA-N 0 0 435.387 5.013 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(I)cc1Cl ZINC000001218027 555684820 /nfs/dbraw/zinc/68/48/20/555684820.db2.gz XUOORJVZBGNBFH-UHFFFAOYSA-N 0 0 437.664 5.359 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000001218364 555684826 /nfs/dbraw/zinc/68/48/26/555684826.db2.gz ZUVNDOKYYWKKOC-AWEZNQCLSA-N 0 0 434.361 5.166 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccc(C)cc2C)cc1 ZINC000001219161 555685125 /nfs/dbraw/zinc/68/51/25/555685125.db2.gz NADMLCDOAQAKLX-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccc(F)cc2)cc1 ZINC000001220644 555685732 /nfs/dbraw/zinc/68/57/32/555685732.db2.gz IEXBLIOZFGWXJE-UHFFFAOYSA-N 0 0 448.519 5.121 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1 ZINC000001227221 555686244 /nfs/dbraw/zinc/68/62/44/555686244.db2.gz HQDPMSRLNTYROL-UHFFFAOYSA-N 0 0 447.541 5.567 50 0 IKAARN COc1cc(NC(=O)c2cc3ccccc3cc2O)c(Cl)cc1NC(=O)c1ccccc1 ZINC000001228919 555686272 /nfs/dbraw/zinc/68/62/72/555686272.db2.gz HGMVZNVLTVHNMX-UHFFFAOYSA-N 0 0 446.890 5.712 50 0 IKAARN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1 ZINC000001231735 555686573 /nfs/dbraw/zinc/68/65/73/555686573.db2.gz YDQYWMYQCLMEDC-UHFFFAOYSA-N 0 0 428.438 6.136 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000001298736 555689343 /nfs/dbraw/zinc/68/93/43/555689343.db2.gz UYDABYRPPIRUPE-UHFFFAOYSA-N 0 0 435.571 5.017 50 0 IKAARN Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009984145 555691197 /nfs/dbraw/zinc/69/11/97/555691197.db2.gz WBJOPLOLIZVZIN-UHFFFAOYSA-N 0 0 432.952 5.303 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)oc2c(C)c1 ZINC000001413907 555695015 /nfs/dbraw/zinc/69/50/15/555695015.db2.gz FTIIJOGSKDZHNH-UHFFFAOYSA-N 0 0 433.508 5.686 50 0 IKAARN COc1cccc(N=C2C[C@H](c3ccc(C(C)C)cc3)N(c3cccc(OC)c3)C2=O)c1 ZINC000001426105 555695792 /nfs/dbraw/zinc/69/57/92/555695792.db2.gz POWGERZNHCVNHT-AREMUKBSSA-N 0 0 428.532 5.911 50 0 aggregator IKAARN COc1cccc(N=C2C[C@@H](c3ccc(C(C)C)cc3)N(c3cccc(OC)c3)C2=O)c1 ZINC000001426106 555695902 /nfs/dbraw/zinc/69/59/02/555695902.db2.gz POWGERZNHCVNHT-SANMLTNESA-N 0 0 428.532 5.911 50 0 aggregator IKAARN O=C(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1 ZINC000001434619 555696462 /nfs/dbraw/zinc/69/64/62/555696462.db2.gz FFSNUKYBSLWXNR-UHFFFAOYSA-N 0 0 433.925 5.226 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1C1CC1 ZINC000001431661 555696471 /nfs/dbraw/zinc/69/64/71/555696471.db2.gz HCXYYWSDQITVII-UHFFFAOYSA-N 0 0 439.890 6.083 50 0 IKAARN O=C(CSc1nc2cc(C(F)(F)F)ccc2n1C1CC1)N1CCc2ccccc2C1 ZINC000001431660 555696574 /nfs/dbraw/zinc/69/65/74/555696574.db2.gz WVIQNQPHOBYRBC-UHFFFAOYSA-N 0 0 431.483 5.067 50 0 IKAARN Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)c(N2CCCC2=O)cc1C ZINC000001442297 555697863 /nfs/dbraw/zinc/69/78/63/555697863.db2.gz FUZSEVSSJUBKNV-UHFFFAOYSA-N 0 0 441.531 5.243 50 0 IKAARN O=C1N(N2C(=O)C3(CCCCC3)[C@H]2c2ccccc2)[C@H](c2ccccc2)C12CCCCC2 ZINC000001445873 555698691 /nfs/dbraw/zinc/69/86/91/555698691.db2.gz WRNWFFYJWXGPTL-DNQXCXABSA-N 0 0 428.576 5.969 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2Cl)cc1 ZINC000001453565 555699930 /nfs/dbraw/zinc/69/99/30/555699930.db2.gz ZJAVFBWHJVZARR-QFIPXVFZSA-N 0 0 433.356 6.090 50 0 IKAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1cccc(C(F)(F)F)c1 ZINC000001476593 555701551 /nfs/dbraw/zinc/70/15/51/555701551.db2.gz OOVDJZYRSCMKOX-UHFFFAOYSA-N 0 0 441.525 5.580 50 0 IKAARN CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccccc4C(F)(F)F)cc3n2)cc1 ZINC000001517072 555702426 /nfs/dbraw/zinc/70/24/26/555702426.db2.gz LPUFARNINJWHAM-UHFFFAOYSA-N 0 0 440.425 5.375 50 0 IKAARN O=C(NCc1cccs1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001516059 555702523 /nfs/dbraw/zinc/70/25/23/555702523.db2.gz HIMRZICMOZLUDD-UHFFFAOYSA-N 0 0 442.875 5.122 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000010540915 555702575 /nfs/dbraw/zinc/70/25/75/555702575.db2.gz VWZVHPRZQLRSFQ-XMMPIXPASA-N 0 0 437.499 5.196 50 0 IKAARN O=C(Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)c1ccc(Cl)cc1 ZINC000001510038 555702596 /nfs/dbraw/zinc/70/25/96/555702596.db2.gz KTUHWAVQAWRCDK-UHFFFAOYSA-N 0 0 442.327 6.108 50 0 IKAARN c1ccc(CSc2nnc(CCCCc3nnc(SCc4ccccc4)o3)o2)cc1 ZINC000001553288 555702730 /nfs/dbraw/zinc/70/27/30/555702730.db2.gz JLEVJNIKJXIHQB-UHFFFAOYSA-N 0 0 438.578 5.603 50 0 IKAARN O=C(c1oc2ccc(Br)cc2c1-c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000001617695 555706022 /nfs/dbraw/zinc/70/60/22/555706022.db2.gz MJQZDXGASZVADF-UHFFFAOYSA-N 0 0 443.300 6.279 50 0 IKAARN ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000001634125 555707361 /nfs/dbraw/zinc/70/73/61/555707361.db2.gz DXUMYHZTYVPBEZ-UHFFFAOYSA-N 0 0 433.164 5.352 50 0 IKAARN CCCCCCc1cc2c(cc1OC)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001748251 555712117 /nfs/dbraw/zinc/71/21/17/555712117.db2.gz FOJPBPNBJNXCNV-UHFFFAOYSA-N 0 0 448.481 7.352 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CC[C@H](C)C2 ZINC000001747154 555712202 /nfs/dbraw/zinc/71/22/02/555712202.db2.gz OCQYGIDAWHUADK-NSHDSACASA-N 0 0 442.364 5.374 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000001759497 555712782 /nfs/dbraw/zinc/71/27/82/555712782.db2.gz JNGAAEFONWYISJ-UHFFFAOYSA-N 0 0 443.616 6.841 50 0 IKAARN c1ccc(Nc2nc(Nc3ccccc3)nc(Sc3nc4ccccc4s3)n2)cc1 ZINC000001757041 555712786 /nfs/dbraw/zinc/71/27/86/555712786.db2.gz RFMGLUFCGUIXHF-UHFFFAOYSA-N 0 0 428.546 6.120 50 0 IKAARN O=C(CCCOc1ccc(Br)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000001769920 555712961 /nfs/dbraw/zinc/71/29/61/555712961.db2.gz YQHHLIWHPXWUTI-UHFFFAOYSA-N 0 0 449.345 5.433 50 0 IKAARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000001768563 555712977 /nfs/dbraw/zinc/71/29/77/555712977.db2.gz UPYBQFCZHDAEAJ-RVDMUPIBSA-N 0 0 435.951 6.450 50 0 IKAARN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000001768786 555712993 /nfs/dbraw/zinc/71/29/93/555712993.db2.gz INHHDXBRXYQGRE-UHFFFAOYSA-N 0 0 448.588 5.069 50 0 IKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)Nc1ccccc1F ZINC000001767982 555713028 /nfs/dbraw/zinc/71/30/28/555713028.db2.gz ZWAXCLVQKYGOTH-UHFFFAOYSA-N 0 0 441.578 5.854 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1Br ZINC000001768327 555713039 /nfs/dbraw/zinc/71/30/39/555713039.db2.gz FEBSITRLLXZPRU-UHFFFAOYSA-N 0 0 430.323 5.607 50 0 IKAARN Cc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(Br)c1 ZINC000001768796 555713084 /nfs/dbraw/zinc/71/30/84/555713084.db2.gz WWEHZYKWVUHZNQ-UHFFFAOYSA-N 0 0 438.365 6.101 50 0 IKAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1OC ZINC000001767452 555713105 /nfs/dbraw/zinc/71/31/05/555713105.db2.gz LOLTYUHMRNYZGA-HSZRJFAPSA-N 0 0 435.501 6.353 50 0 IKAARN CCCOC(=O)COc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771709 555713324 /nfs/dbraw/zinc/71/33/24/555713324.db2.gz NJSMMNYDIGPEFL-UHFFFAOYSA-N 0 0 430.456 5.584 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccc(OC)cc1 ZINC000001778263 555714366 /nfs/dbraw/zinc/71/43/66/555714366.db2.gz PLZDZBGTDHRRNO-UHFFFAOYSA-N 0 0 439.533 5.398 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000001779498 555714615 /nfs/dbraw/zinc/71/46/15/555714615.db2.gz XGGPZTDCYSXFJW-LLVKDONJSA-N 0 0 441.380 5.076 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)sc2c1CCCC2 ZINC000001779409 555714702 /nfs/dbraw/zinc/71/47/02/555714702.db2.gz LQVUQCISZGXLJQ-UHFFFAOYSA-N 0 0 449.572 5.797 50 0 IKAARN COc1ccccc1-c1coc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2c1=O ZINC000001780168 555714715 /nfs/dbraw/zinc/71/47/15/555714715.db2.gz RVBNHFKRWNOICH-UHFFFAOYSA-N 0 0 441.266 5.995 50 0 IKAARN CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1 ZINC000001782972 555714882 /nfs/dbraw/zinc/71/48/82/555714882.db2.gz CEHYZIXIKLSACQ-UHFFFAOYSA-N 0 0 448.650 8.370 50 0 IKAARN O=S(=O)(NC[C@@H](Nc1cccc2ccccc21)c1ccccc1)c1ccc(Cl)cc1 ZINC000001788905 555715709 /nfs/dbraw/zinc/71/57/09/555715709.db2.gz QJWUWGILRWWTPR-XMMPIXPASA-N 0 0 436.964 5.625 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOc2ccccc2)cc1 ZINC000001797117 555716637 /nfs/dbraw/zinc/71/66/37/555716637.db2.gz GKIADBYCDGWSFA-UHFFFAOYSA-N 0 0 431.410 5.424 50 0 IKAARN CCCc1cc2c(cc1OCc1ccc(C(=O)OC)cc1)oc(=O)cc2-c1ccccc1 ZINC000001797519 555716652 /nfs/dbraw/zinc/71/66/52/555716652.db2.gz HQJXYJPPNORQAZ-UHFFFAOYSA-N 0 0 428.484 5.778 50 0 IKAARN Cc1cc(I)ccc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001800710 555717048 /nfs/dbraw/zinc/71/70/48/555717048.db2.gz LSFSMVNTAXBJSH-UHFFFAOYSA-N 0 0 443.284 5.284 50 0 IKAARN COCCn1c(C)cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c32)c1C ZINC000001805638 555717535 /nfs/dbraw/zinc/71/75/35/555717535.db2.gz ADRUJTTXEDIKAS-UHFFFAOYSA-N 0 0 437.590 5.398 50 0 IKAARN COc1ccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000001806057 555717574 /nfs/dbraw/zinc/71/75/74/555717574.db2.gz AKVOUVMVWGHSQI-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001808086 555717792 /nfs/dbraw/zinc/71/77/92/555717792.db2.gz RRPTXZBAULJDNY-UHFFFAOYSA-N 0 0 434.706 5.895 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 ZINC000001807820 555717842 /nfs/dbraw/zinc/71/78/42/555717842.db2.gz LHRXXQCOKPMEMX-QGZVFWFLSA-N 0 0 449.572 5.734 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1C ZINC000001819057 555718385 /nfs/dbraw/zinc/71/83/85/555718385.db2.gz GZSHRRLXCIZJSC-UHFFFAOYSA-N 0 0 436.027 5.831 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3O)nc2c1 ZINC000001818486 555718443 /nfs/dbraw/zinc/71/84/43/555718443.db2.gz OWMJSDPMNCHEIS-RUDMXATFSA-N 0 0 439.298 6.468 50 0 IKAARN CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000001815121 555718483 /nfs/dbraw/zinc/71/84/83/555718483.db2.gz GYSIMHAPUDUGFS-QFIPXVFZSA-N 0 0 433.523 5.710 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccccc1Cl ZINC000001821314 555718762 /nfs/dbraw/zinc/71/87/62/555718762.db2.gz PRLJWYLXZVUWLH-UHFFFAOYSA-N 0 0 439.342 6.230 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccnc2)cc1 ZINC000001826481 555718767 /nfs/dbraw/zinc/71/87/67/555718767.db2.gz MGMQBMJHBVYCGK-UHFFFAOYSA-N 0 0 444.604 6.318 50 0 IKAARN CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1cccc(NC(=O)c2ccccc2)c1 ZINC000001820001 555718790 /nfs/dbraw/zinc/71/87/90/555718790.db2.gz LTPPWWRXINQURG-PNHLSOANSA-N 0 0 443.597 6.622 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3scc(-c4ccc(Br)cc4)c3c(=O)o2)cc1 ZINC000001825723 555718841 /nfs/dbraw/zinc/71/88/41/555718841.db2.gz AICZPRSGUHJDJX-UHFFFAOYSA-N 0 0 440.362 6.644 50 0 IKAARN O=c1c2ccccc2nc(SC/C=C/c2ccccc2)n1-c1ccc(Br)cc1 ZINC000001830802 555719085 /nfs/dbraw/zinc/71/90/85/555719085.db2.gz CZKJQWBFXHPBHO-RMKNXTFCSA-N 0 0 449.373 5.954 50 0 IKAARN CCCCCOc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000001834440 555719363 /nfs/dbraw/zinc/71/93/63/555719363.db2.gz DXAHVQSRTYYTCF-LCUIJRPUSA-N 0 0 438.662 7.555 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000001840411 555720120 /nfs/dbraw/zinc/72/01/20/555720120.db2.gz HTQYEGTYWVPFKK-HNNXBMFYSA-N 0 0 434.923 6.923 50 0 IKAARN Cc1ccc(C)c(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000001840564 555720176 /nfs/dbraw/zinc/72/01/76/555720176.db2.gz HQBJSBHJEYHCIC-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21)c1ccccc1 ZINC000001846560 555720491 /nfs/dbraw/zinc/72/04/91/555720491.db2.gz DBRCBTARHOBNNI-UHFFFAOYSA-N 0 0 446.300 5.704 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c(Cl)c1 ZINC000001851059 555720498 /nfs/dbraw/zinc/72/04/98/555720498.db2.gz AANPVPOCQJSXGM-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN O=C(Oc1cccc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1)c1ccccc1 ZINC000001858129 555721169 /nfs/dbraw/zinc/72/11/69/555721169.db2.gz UVQTYWZUAWYSET-UHFFFAOYSA-N 0 0 438.435 5.344 50 0 biogenic IKAARN Cc1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cccc1-c1nc2ccccc2s1 ZINC000001857859 555721204 /nfs/dbraw/zinc/72/12/04/555721204.db2.gz OHQOTFLNJZWFFD-UHFFFAOYSA-N 0 0 444.943 7.437 50 0 IKAARN CCCCc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(CCCC)cc3)c2)cc1 ZINC000001865027 555721626 /nfs/dbraw/zinc/72/16/26/555721626.db2.gz IRFRDRQYCNEAMI-UHFFFAOYSA-N 0 0 430.544 6.810 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccc(Cl)cc4)C32)cc1 ZINC000001866477 555721861 /nfs/dbraw/zinc/72/18/61/555721861.db2.gz NVSYNUYQTFMLGH-DHIUTWEWSA-N 0 0 447.325 5.798 50 0 IKAARN Cc1ccc(S(=O)(=O)C(NC(=O)c2ccc(Cl)cc2Cl)=C(Cl)Cl)cc1 ZINC000001877740 555722301 /nfs/dbraw/zinc/72/23/01/555722301.db2.gz CPQOZJAESUXVPO-UHFFFAOYSA-N 0 0 439.147 5.110 50 0 IKAARN Cc1noc(C)c1CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000001896056 555723309 /nfs/dbraw/zinc/72/33/09/555723309.db2.gz ZXRXPCMINQOSJB-UHFFFAOYSA-N 0 0 445.569 6.011 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000001903734 555723801 /nfs/dbraw/zinc/72/38/01/555723801.db2.gz NBRXXFJRBHQHDA-UHFFFAOYSA-N 0 0 442.364 5.518 50 0 IKAARN CCCCc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000001911477 555724101 /nfs/dbraw/zinc/72/41/01/555724101.db2.gz NTOALZOKZSGWMZ-UHFFFAOYSA-N 0 0 432.520 5.308 50 0 IKAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1cccs1 ZINC000001912342 555724408 /nfs/dbraw/zinc/72/44/08/555724408.db2.gz FMDQZRZTHSGIGF-UHFFFAOYSA-N 0 0 439.320 5.049 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000001916111 555724704 /nfs/dbraw/zinc/72/47/04/555724704.db2.gz LIPYPWHSBHOALF-UHFFFAOYSA-N 0 0 436.596 6.013 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)OC2CCCCC2)cc1 ZINC000001916113 555724716 /nfs/dbraw/zinc/72/47/16/555724716.db2.gz FZTDRRXTIGDCRE-UHFFFAOYSA-N 0 0 437.580 6.440 50 0 IKAARN Cc1cc(=O)oc2cc(OC(=O)COc3ccc(Br)cc3C(C)(C)C)ccc12 ZINC000001916485 555724759 /nfs/dbraw/zinc/72/47/59/555724759.db2.gz HHLGQOAHZCQYKV-UHFFFAOYSA-N 0 0 445.309 5.146 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001945625 555726021 /nfs/dbraw/zinc/72/60/21/555726021.db2.gz QVTFNMXJVHQWOW-GOSISDBHSA-N 0 0 441.637 6.626 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccc(Cl)cc1C ZINC000001944333 555726044 /nfs/dbraw/zinc/72/60/44/555726044.db2.gz TTWISJANGKLYOD-UHFFFAOYSA-N 0 0 447.915 5.710 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3oc1=O)C[C@H](C(C)(C)C)CC2 ZINC000001953193 555726299 /nfs/dbraw/zinc/72/62/99/555726299.db2.gz LDVAQCDALLUJMW-CQSZACIVSA-N 0 0 439.533 5.044 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3oc1=O)C[C@@H](C(C)(C)C)CC2 ZINC000001953190 555726328 /nfs/dbraw/zinc/72/63/28/555726328.db2.gz LDVAQCDALLUJMW-AWEZNQCLSA-N 0 0 439.533 5.044 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)cc1 ZINC000001946357 555726351 /nfs/dbraw/zinc/72/63/51/555726351.db2.gz BAVYJQRPGLAGRP-UHFFFAOYSA-N 0 0 444.350 5.915 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc2ccccc2oc1=O ZINC000001953156 555726364 /nfs/dbraw/zinc/72/63/64/555726364.db2.gz UFHWVWRZLRXBCC-UHFFFAOYSA-N 0 0 433.485 5.259 50 0 IKAARN CC(C)=CC(=O)N1CCN(C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022631087 555726915 /nfs/dbraw/zinc/72/69/15/555726915.db2.gz MJKCJJSWGRNRQG-XMMPIXPASA-N 0 0 426.988 5.017 50 0 IKAARN FC(F)(F)c1cccc(C2(c3nnc(Cc4cccc5ccccc54)o3)CCOCC2)c1 ZINC000071889891 555726969 /nfs/dbraw/zinc/72/69/69/555726969.db2.gz QKEJIJXHKDUMPX-UHFFFAOYSA-N 0 0 438.449 5.929 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 ZINC000071889863 555727037 /nfs/dbraw/zinc/72/70/37/555727037.db2.gz XKGFGVHAGPZKCK-CQSZACIVSA-N 0 0 436.405 5.464 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccc(Br)cc1 ZINC000002030308 555728033 /nfs/dbraw/zinc/72/80/33/555728033.db2.gz ADEYWUCYVFVCMG-UHFFFAOYSA-N 0 0 447.357 6.396 50 0 IKAARN O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1ccccc1 ZINC000002027166 555728075 /nfs/dbraw/zinc/72/80/75/555728075.db2.gz UAPRIYMPGYZVFI-HXUWFJFHSA-N 0 0 432.829 5.410 50 0 aggregator IKAARN O=C(C1=NN(c2ccccc2)[C@]2(c3ccccc3)N1CCN2c1ccccc1)c1ccccc1 ZINC000002049114 555728324 /nfs/dbraw/zinc/72/83/24/555728324.db2.gz PDLHTGODSCGEMA-LJAQVGFWSA-N 0 0 444.538 5.336 50 0 IKAARN CCOC(=O)C(Sc1ccc(Cl)cc1)(Sc1ccc(Cl)cc1)C(=O)OCC ZINC000002049947 555728634 /nfs/dbraw/zinc/72/86/34/555728634.db2.gz SLMXGZKTOIRWEJ-UHFFFAOYSA-N 0 0 445.389 5.700 50 0 IKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1 ZINC000002050770 555728920 /nfs/dbraw/zinc/72/89/20/555728920.db2.gz XGPIOFCCZDOFDO-UHFFFAOYSA-N 0 0 428.532 6.833 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)OCc4ccc(C(C)(C)C)cc4)ccc3Cl)nc2c1 ZINC000002050966 555729200 /nfs/dbraw/zinc/72/92/00/555729200.db2.gz HETITNFEMMNXPO-UHFFFAOYSA-N 0 0 448.950 7.503 50 0 IKAARN Cc1ccc(C(=O)CSc2nsc3sc(C(=O)c4ccc(C)cc4)c(N)c23)cc1 ZINC000002051232 555729228 /nfs/dbraw/zinc/72/92/28/555729228.db2.gz ONWBOWVOJQFXFC-UHFFFAOYSA-N 0 0 438.599 5.763 50 0 IKAARN O=C(c1oc2ccc(Cl)cc2c1-c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000002051043 555729236 /nfs/dbraw/zinc/72/92/36/555729236.db2.gz NQSLFHPHAUDBLM-UHFFFAOYSA-N 0 0 433.294 6.823 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000002052156 555729239 /nfs/dbraw/zinc/72/92/39/555729239.db2.gz JCAWZTJMCQNXMC-UHFFFAOYSA-N 0 0 436.364 6.195 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000002052062 555729247 /nfs/dbraw/zinc/72/92/47/555729247.db2.gz ZMFXXDJDXLULBQ-UHFFFAOYSA-N 0 0 444.490 7.062 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000002050909 555729265 /nfs/dbraw/zinc/72/92/65/555729265.db2.gz NNJWWAWBSHAQRE-UHFFFAOYSA-N 0 0 430.916 7.129 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 ZINC000002051889 555729274 /nfs/dbraw/zinc/72/92/74/555729274.db2.gz XYIHOACTBZDBHM-UHFFFAOYSA-N 0 0 449.348 6.807 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccc2ccccc21 ZINC000002053182 555729532 /nfs/dbraw/zinc/72/95/32/555729532.db2.gz YADZCXDHIHESPJ-UHFFFAOYSA-N 0 0 443.300 6.663 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1C ZINC000002052368 555729561 /nfs/dbraw/zinc/72/95/61/555729561.db2.gz WZBIIEMIXSEKES-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1ccc(C(=O)N[C@H](Nc2ccc(Cl)c(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000002054624 555729829 /nfs/dbraw/zinc/72/98/29/555729829.db2.gz BBRXWDVROGCEFJ-HNNXBMFYSA-N 0 0 426.558 5.840 50 0 IKAARN O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002054666 555730050 /nfs/dbraw/zinc/73/00/50/555730050.db2.gz SFDKCUYQCDHRET-AWEZNQCLSA-N 0 0 446.083 5.897 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](Nc2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000002054648 555730065 /nfs/dbraw/zinc/73/00/65/555730065.db2.gz YHNLLTZQCLXLCZ-QGZVFWFLSA-N 0 0 434.194 6.176 50 0 IKAARN CCCCCc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(CCC)cc3)cc2)cc1 ZINC000002054997 555730075 /nfs/dbraw/zinc/73/00/75/555730075.db2.gz QBOIWXBXHPLYQW-UHFFFAOYSA-N 0 0 428.572 7.079 50 0 IKAARN Cc1ccc2nc(-c3cccc(NC(=O)c4cc(Br)ccc4Cl)c3)oc2c1 ZINC000002056910 555730866 /nfs/dbraw/zinc/73/08/66/555730866.db2.gz IEKVKXPJTTUTHM-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(F)cc1 ZINC000002056893 555730886 /nfs/dbraw/zinc/73/08/86/555730886.db2.gz FJLBTQQISCBNIM-UHFFFAOYSA-N 0 0 445.675 6.302 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccc(Cl)c1Cl ZINC000002056928 555730904 /nfs/dbraw/zinc/73/09/04/555730904.db2.gz NGBHHWGBELDTNE-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN CCc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 ZINC000002056949 555730929 /nfs/dbraw/zinc/73/09/29/555730929.db2.gz VPKSRFNIFUXKDL-UHFFFAOYSA-N 0 0 442.902 7.223 50 0 IKAARN O=C1N2c3ccccc3S[C@H](c3ccccc3)C[C@@]2(c2ccccc2)C1(Cl)Cl ZINC000002057577 555731134 /nfs/dbraw/zinc/73/11/34/555731134.db2.gz JDCYQYZPZYWWID-RBBKRZOGSA-N 0 0 426.368 6.340 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000002056952 555731144 /nfs/dbraw/zinc/73/11/44/555731144.db2.gz HTBGKSKKAFYRBH-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN CCOC(=O)c1c(NC(=O)C(C)(c2ccccc2)c2ccccc2)sc2c1CCCC2 ZINC000002057002 555731172 /nfs/dbraw/zinc/73/11/72/555731172.db2.gz OJAYWUZCUMEZHK-UHFFFAOYSA-N 0 0 433.573 5.748 50 0 IKAARN COc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1OC ZINC000002060682 555731611 /nfs/dbraw/zinc/73/16/11/555731611.db2.gz ODPGCGPIGKKUPB-HHHXNRCGSA-N 0 0 435.479 6.145 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(F)cc1 ZINC000002060204 555731677 /nfs/dbraw/zinc/73/16/77/555731677.db2.gz AFTZPMDEYYGOKF-UHFFFAOYSA-N 0 0 448.313 5.746 50 0 IKAARN CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060628 555731705 /nfs/dbraw/zinc/73/17/05/555731705.db2.gz WCCITAHSONXZCD-UHFFFAOYSA-N 0 0 430.617 6.023 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3\N=C(c4cc(F)c(F)cc4Cl)OC3=O)cc2)cc1 ZINC000002061008 555731972 /nfs/dbraw/zinc/73/19/72/555731972.db2.gz NBNYTEQUIPTQST-YVNNLAQVSA-N 0 0 439.845 5.850 50 0 IKAARN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc21 ZINC000002061253 555731983 /nfs/dbraw/zinc/73/19/83/555731983.db2.gz WLTDQPGKZWMMAK-UHFFFAOYSA-N 0 0 447.512 5.288 50 0 IKAARN O=C1C(=Nc2ccc(Cl)cc2)C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000002061308 555732044 /nfs/dbraw/zinc/73/20/44/555732044.db2.gz ZUGXWFAYRFRZOC-OAQYLSRUSA-N 0 0 429.734 6.731 50 0 IKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000002062097 555732290 /nfs/dbraw/zinc/73/22/90/555732290.db2.gz VRYWBZHGTHPHED-UHFFFAOYSA-N 0 0 438.980 6.483 50 0 IKAARN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccccc1 ZINC000002062665 555732487 /nfs/dbraw/zinc/73/24/87/555732487.db2.gz BISQEYOYMVGXEH-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN CCCCCCOC(=O)CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002062908 555732510 /nfs/dbraw/zinc/73/25/10/555732510.db2.gz PVOQWTKWCABFPW-UHFFFAOYSA-N 0 0 427.111 5.020 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000002063288 555732717 /nfs/dbraw/zinc/73/27/17/555732717.db2.gz MWYUJIJBLKPPPX-MDWZMJQESA-N 0 0 449.304 5.918 50 0 IKAARN CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)Cc1ccccc1)c1ccccc1Cl ZINC000002063568 555732809 /nfs/dbraw/zinc/73/28/09/555732809.db2.gz FENXQLVGXFEBTI-HHHXNRCGSA-N 0 0 443.930 5.867 50 0 aggregator IKAARN CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002063566 555732829 /nfs/dbraw/zinc/73/28/29/555732829.db2.gz FHMFSAXHYBWGIS-HHHXNRCGSA-N 0 0 443.930 5.867 50 0 IKAARN CC(C)NC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccccc1 ZINC000002063891 555733081 /nfs/dbraw/zinc/73/30/81/555733081.db2.gz LUTHIAFIZSYXCV-MOSHPQCFSA-N 0 0 443.330 5.549 50 0 IKAARN CC(C)(C)c1cc(OC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl ZINC000002065795 555733373 /nfs/dbraw/zinc/73/33/73/555733373.db2.gz KMZINUOCAURXPK-UHFFFAOYSA-N 0 0 443.326 6.729 50 0 IKAARN COc1cccc(-c2nnc(SCc3ccc(-c4ccccc4)cc3)n2-c2ccccc2)c1 ZINC000002068459 555733938 /nfs/dbraw/zinc/73/39/38/555733938.db2.gz YNZGCEYIAGPHNC-UHFFFAOYSA-N 0 0 449.579 6.902 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000002069552 555734200 /nfs/dbraw/zinc/73/42/00/555734200.db2.gz JGTOQUVFBARBTO-HXUWFJFHSA-N 0 0 433.507 5.891 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002069726 555734273 /nfs/dbraw/zinc/73/42/73/555734273.db2.gz JGVMUOPWPMLMFA-UHFFFAOYSA-N 0 0 436.511 6.257 50 0 IKAARN Cc1cc([C@@H]2C=C(C)[C@H](c3ccccc3)N(C(=O)c3ccccc3)C2)cnc1-c1ccccc1 ZINC000002070168 555734625 /nfs/dbraw/zinc/73/46/25/555734625.db2.gz MVBXUYKCAZPUFX-PQHLKRTFSA-N 0 0 444.578 6.984 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002069728 555734644 /nfs/dbraw/zinc/73/46/44/555734644.db2.gz CPRALGVBLILBRO-UHFFFAOYSA-N 0 0 426.903 6.512 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)Cc3cccc4ccccc43)c2)c1 ZINC000002069734 555734647 /nfs/dbraw/zinc/73/46/47/555734647.db2.gz WLLYOBINTAPFEG-UHFFFAOYSA-N 0 0 442.946 6.544 50 0 IKAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1cccc3ccccc31)CCCC2 ZINC000002072888 555735182 /nfs/dbraw/zinc/73/51/82/555735182.db2.gz CTNAVXNGQCJFFG-UHFFFAOYSA-N 0 0 440.568 6.593 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)Nc1ccc(Br)cc1-2 ZINC000002073704 555735323 /nfs/dbraw/zinc/73/53/23/555735323.db2.gz DFBVLBHKBFTSJY-SFHVURJKSA-N 0 0 443.370 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c1csc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000002181098 555753775 /nfs/dbraw/zinc/75/37/75/555753775.db2.gz GEPKMMRSROKYPT-UHFFFAOYSA-N 0 0 444.563 7.325 50 0 IKAARN CCOc1nnc(-c2ccccc2)c2c1nn(-c1ccc(Cl)cc1)c2-c1ccccc1 ZINC000002181195 555753810 /nfs/dbraw/zinc/75/38/10/555753810.db2.gz SGZJAHJGZDATBN-UHFFFAOYSA-N 0 0 426.907 6.202 50 0 IKAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002182005 555753915 /nfs/dbraw/zinc/75/39/15/555753915.db2.gz PQQREBYAZUROJL-UHFFFAOYSA-N 0 0 442.606 5.152 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002182459 555754339 /nfs/dbraw/zinc/75/43/39/555754339.db2.gz LLLBDOXMPZGALK-GFCCVEGCSA-N 0 0 425.743 5.914 50 0 IKAARN Cc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000002183413 555754556 /nfs/dbraw/zinc/75/45/56/555754556.db2.gz PZZLECFPCVIQDU-UHFFFAOYSA-N 0 0 428.623 5.745 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000002183504 555754626 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IKAARN O=C(c1ccccc1)c1c(=S)nc(-c2ccc(Br)cc2)oc1-c1ccccc1 ZINC000002187657 555755670 /nfs/dbraw/zinc/75/56/70/555755670.db2.gz VTABORFSBSMVKA-UHFFFAOYSA-N 0 0 448.341 6.732 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3/N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)cc1 ZINC000002188232 555755816 /nfs/dbraw/zinc/75/58/16/555755816.db2.gz BDILBZNXQKSMOJ-KOEQRZSOSA-N 0 0 425.528 6.216 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002188956 555755932 /nfs/dbraw/zinc/75/59/32/555755932.db2.gz IBDCVFMMEYWPSL-UHFFFAOYSA-N 0 0 436.364 5.974 50 0 IKAARN Cc1cccc2c1nc1c(c2-c2ccccc2)[C@@H](c2ccc(Br)cc2)NC1=O ZINC000002190059 555756308 /nfs/dbraw/zinc/75/63/08/555756308.db2.gz UZMVCIQQMHVOFE-JOCHJYFZSA-N 0 0 429.317 5.806 50 0 IKAARN COc1cc2c3c(c1)-c1c(sn(-c4ccc(C)c(C)c4)c1=S)C(C)(C)N3C(=O)C2=O ZINC000002191035 555756464 /nfs/dbraw/zinc/75/64/64/555756464.db2.gz ISDMQDUVFHSLBO-UHFFFAOYSA-N 0 0 436.558 5.339 50 0 IKAARN CCc1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)nc1-c1ccccc1 ZINC000002190795 555756529 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CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2S1 ZINC000002194898 555756882 /nfs/dbraw/zinc/75/68/82/555756882.db2.gz YJBPAXNOMNBLQI-VSGBNLITSA-N 0 0 440.612 6.455 50 0 IKAARN COc1ccc(-c2noc(COc3ccc4ccccc4c3Br)n2)cc1OC ZINC000002204076 555757478 /nfs/dbraw/zinc/75/74/78/555757478.db2.gz ZVCUZQFIYYBURH-UHFFFAOYSA-N 0 0 441.281 5.249 50 0 IKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)occ(-c1nc3ccccc3s1)c2=O ZINC000002206791 555757737 /nfs/dbraw/zinc/75/77/37/555757737.db2.gz CFEHRCGMWXDVJW-UHFFFAOYSA-N 0 0 429.453 5.298 50 0 IKAARN CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000002205942 555757754 /nfs/dbraw/zinc/75/77/54/555757754.db2.gz FZEIJUFLKUIJRI-UHFFFAOYSA-N 0 0 435.524 5.773 50 0 IKAARN Nc1c(Br)cc2oc(-c3cccc(Br)c3)nc2c1Br ZINC000002215347 555758696 /nfs/dbraw/zinc/75/86/96/555758696.db2.gz LQNKPFYDOCONQW-UHFFFAOYSA-N 0 0 446.924 5.365 50 0 IKAARN Cc1ccc(OCc2nnc(SC/C=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000002217725 555758959 /nfs/dbraw/zinc/75/89/59/555758959.db2.gz 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ZINC000002229879 555760268 /nfs/dbraw/zinc/76/02/68/555760268.db2.gz GXNWWQTVKTXLRX-UHFFFAOYSA-N 0 0 440.450 5.082 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000002232333 555760537 /nfs/dbraw/zinc/76/05/37/555760537.db2.gz KOMAJRICJUILCH-UHFFFAOYSA-N 0 0 446.551 5.928 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000002237280 555760894 /nfs/dbraw/zinc/76/08/94/555760894.db2.gz SULBQXSQLGJCKC-KRWDZBQOSA-N 0 0 441.405 5.615 50 0 IKAARN COc1ccc2oc(=O)c(-c3nc(-c4ccc(Sc5ccccc5)cc4)cs3)cc2c1 ZINC000002240173 555761414 /nfs/dbraw/zinc/76/14/14/555761414.db2.gz ZQYMFWAHFKSWMY-UHFFFAOYSA-N 0 0 443.549 6.743 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002252980 555762581 /nfs/dbraw/zinc/76/25/81/555762581.db2.gz HVIDBYNCYALGIW-FGZHOGPDSA-N 0 0 432.936 5.514 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nc3ccccc3c2=O)cc1 ZINC000002258385 555763154 /nfs/dbraw/zinc/76/31/54/555763154.db2.gz HHRZOSXEVJCICC-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/76/46/84/555764684.db2.gz HBBWHROGKWQSHV-AREMUKBSSA-N 0 0 436.573 5.880 50 0 IKAARN Clc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000002283136 555765339 /nfs/dbraw/zinc/76/53/39/555765339.db2.gz POOZLDNCVGCNAM-UHFFFAOYSA-N 0 0 435.529 6.626 50 0 IKAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)c1ccccc1 ZINC000002287715 555765512 /nfs/dbraw/zinc/76/55/12/555765512.db2.gz CSKSCZKIZFLUET-UHFFFAOYSA-N 0 0 446.597 5.691 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000002290782 555765900 /nfs/dbraw/zinc/76/59/00/555765900.db2.gz JQDUOINPSXLPRS-NDENLUEZSA-N 0 0 437.854 5.411 50 0 IKAARN C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000002294469 555766204 /nfs/dbraw/zinc/76/62/04/555766204.db2.gz DUJHMVBTFPUBCP-INIZCTEOSA-N 0 0 446.597 5.547 50 0 IKAARN CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@H](C)C3 ZINC000002292461 555766271 /nfs/dbraw/zinc/76/62/71/555766271.db2.gz OHDCCNSZVWQWML-HNNXBMFYSA-N 0 0 438.622 5.502 50 0 IKAARN CC(=O)N(CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 ZINC000002295643 555766279 /nfs/dbraw/zinc/76/62/79/555766279.db2.gz CRJNHEWSGJAMEN-HSZRJFAPSA-N 0 0 435.951 5.834 50 0 IKAARN CCCCCOc1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)cc1 ZINC000002296849 555766298 /nfs/dbraw/zinc/76/62/98/555766298.db2.gz KHHDAKSIMPJKAM-BZZOAKBMSA-N 0 0 440.634 6.947 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccs1 ZINC000002305286 555767182 /nfs/dbraw/zinc/76/71/82/555767182.db2.gz BHFIYGXFHRYBFF-UHFFFAOYSA-N 0 0 448.356 5.990 50 0 IKAARN CCC(=O)Nc1ccc2nc(SC[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000002314512 555768002 /nfs/dbraw/zinc/76/80/02/555768002.db2.gz GUHCZAGXYJTDKG-MRXNPFEDSA-N 0 0 441.622 5.937 50 0 IKAARN O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000002316771 555768238 /nfs/dbraw/zinc/76/82/38/555768238.db2.gz ZMWYKOXCGMTGRE-RUZDIDTESA-N 0 0 432.564 5.281 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000002325145 555768622 /nfs/dbraw/zinc/76/86/22/555768622.db2.gz SFPVQGGPSHCUIO-UHFFFAOYSA-N 0 0 427.744 5.173 50 0 IKAARN Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 ZINC000002325343 555768635 /nfs/dbraw/zinc/76/86/35/555768635.db2.gz IAAJCTOVAPUBPF-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000002326723 555768922 /nfs/dbraw/zinc/76/89/22/555768922.db2.gz NZCUSVHCUOUDAH-UHFFFAOYSA-N 0 0 444.560 5.194 50 0 IKAARN COc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1 ZINC000002327097 555768961 /nfs/dbraw/zinc/76/89/61/555768961.db2.gz LCNIWQVIZCGLNV-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)Nc1ccc(F)cc1 ZINC000002329364 555769219 /nfs/dbraw/zinc/76/92/19/555769219.db2.gz LPTNEUVGRNYSOH-UHFFFAOYSA-N 0 0 426.517 5.948 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccccc2F)cc1 ZINC000002330948 555769300 /nfs/dbraw/zinc/76/93/00/555769300.db2.gz CPALYWVEUCFDRQ-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(C)c1 ZINC000002335145 555769465 /nfs/dbraw/zinc/76/94/65/555769465.db2.gz ZRFSDQJXJMFENV-GOSISDBHSA-N 0 0 436.625 5.824 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002347733 555770837 /nfs/dbraw/zinc/77/08/37/555770837.db2.gz WGYFONHHMIYEFW-UHFFFAOYSA-N 0 0 430.507 6.733 50 0 IKAARN Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 ZINC000002349055 555770920 /nfs/dbraw/zinc/77/09/20/555770920.db2.gz LSMUMXHAQMWLKW-UHFFFAOYSA-N 0 0 427.327 5.036 50 0 IKAARN Clc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccn2)cc1 ZINC000002352474 555771117 /nfs/dbraw/zinc/77/11/17/555771117.db2.gz UECUZWYLEPEOAW-UHFFFAOYSA-N 0 0 428.948 6.428 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000002354476 555771456 /nfs/dbraw/zinc/77/14/56/555771456.db2.gz DNOCEGSLBAMVAA-MLGOLLRUSA-N 0 0 430.397 5.722 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC000002358667 555771683 /nfs/dbraw/zinc/77/16/83/555771683.db2.gz XGZNKSQEMNTQMX-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000002365130 555772396 /nfs/dbraw/zinc/77/23/96/555772396.db2.gz DMYIJIGNJKPLSB-UHFFFAOYSA-N 0 0 440.506 6.469 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(NC(=O)CC)cc3s2)cc1 ZINC000002366607 555772607 /nfs/dbraw/zinc/77/26/07/555772607.db2.gz XJAQAGIFAIZVAZ-CYBMUJFWSA-N 0 0 429.567 5.163 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccccc2F)n1Cc1ccco1)CCCC3 ZINC000002366213 555772619 /nfs/dbraw/zinc/77/26/19/555772619.db2.gz LQWARBVQNFEJHJ-UHFFFAOYSA-N 0 0 426.538 5.410 50 0 IKAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000002365796 555772634 /nfs/dbraw/zinc/77/26/34/555772634.db2.gz HQRFGGFUTJKOJY-UHFFFAOYSA-N 0 0 437.528 5.213 50 0 IKAARN Clc1ccc(CSc2nnc(SCc3cccc4ccccc43)s2)cc1Cl ZINC000002366987 555773013 /nfs/dbraw/zinc/77/30/13/555773013.db2.gz ZQCXPHZKQLDKAV-UHFFFAOYSA-N 0 0 449.453 7.583 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002374152 555773609 /nfs/dbraw/zinc/77/36/09/555773609.db2.gz BCKSIPWWPYYNDY-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN Clc1ccc(Oc2ccc(Nc3ncnc4c3cnn4-c3ccc(Cl)cc3)cc2)cc1 ZINC000002374594 555773714 /nfs/dbraw/zinc/77/37/14/555773714.db2.gz QLDMDQRQYLFQTP-UHFFFAOYSA-N 0 0 448.313 6.658 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000002376945 555774038 /nfs/dbraw/zinc/77/40/38/555774038.db2.gz IRYMXUAHXIMCAQ-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)c(F)c4)c23)cc1 ZINC000002379259 555774060 /nfs/dbraw/zinc/77/40/60/555774060.db2.gz KNTXIQZYEKCPLR-UHFFFAOYSA-N 0 0 427.501 5.676 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000002382280 555774268 /nfs/dbraw/zinc/77/42/68/555774268.db2.gz ZMFYSDHILDIVNE-UHFFFAOYSA-N 0 0 435.574 5.715 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(Cl)c4C)c23)cc1 ZINC000002384783 555774566 /nfs/dbraw/zinc/77/45/66/555774566.db2.gz ULHUYNPKSOLSKS-UHFFFAOYSA-N 0 0 439.993 6.359 50 0 IKAARN Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)c(Cl)c3)c2-c2ccccc2)cc1 ZINC000002388801 555774865 /nfs/dbraw/zinc/77/48/65/555774865.db2.gz UWDJLWMOSALYRL-UHFFFAOYSA-N 0 0 447.329 5.797 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(c1nccs1)C3=O ZINC000002404428 555776402 /nfs/dbraw/zinc/77/64/02/555776402.db2.gz QWMRZTMWVPPNHB-KRWDZBQOSA-N 0 0 443.311 5.615 50 0 IKAARN C[C@H]1CCc2c(c3ccccc3n2C(=O)CSc2nnc3sc4ccccc4n23)C1 ZINC000002405259 555776413 /nfs/dbraw/zinc/77/64/13/555776413.db2.gz RLDSOLCONSEVBU-AWEZNQCLSA-N 0 0 432.574 5.456 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002409535 555776723 /nfs/dbraw/zinc/77/67/23/555776723.db2.gz XKPWTXRMDNWYDW-SFTDATJTSA-N 0 0 436.899 5.345 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000002409297 555776769 /nfs/dbraw/zinc/77/67/69/555776769.db2.gz WMYYKGALEMGHNQ-UHFFFAOYSA-N 0 0 438.578 5.502 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCCOC(C)C)C3=O ZINC000002415745 555777119 /nfs/dbraw/zinc/77/71/19/555777119.db2.gz ONPSBBRAOYBSGM-NRFANRHFSA-N 0 0 425.912 5.115 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)c2C(N)=O)C1 ZINC000002417941 555777451 /nfs/dbraw/zinc/77/74/51/555777451.db2.gz AANPPXDPRQYTSF-QMMMGPOBSA-N 0 0 439.389 5.746 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 ZINC000002433201 555778761 /nfs/dbraw/zinc/77/87/61/555778761.db2.gz NABOGLXWXTWWBO-UHFFFAOYSA-N 0 0 444.004 5.195 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)cc1 ZINC000002442424 555779405 /nfs/dbraw/zinc/77/94/05/555779405.db2.gz UMTLIMMEPHETFB-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2ccc(F)cc2)n1Cc1ccco1)CCCC3 ZINC000002443184 555779658 /nfs/dbraw/zinc/77/96/58/555779658.db2.gz UVZLOYPDBMHSAX-UHFFFAOYSA-N 0 0 426.538 5.410 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccc(C)cc2)cc1 ZINC000002447200 555780571 /nfs/dbraw/zinc/78/05/71/555780571.db2.gz MBTSGJJMXCOCHW-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002448575 555780878 /nfs/dbraw/zinc/78/08/78/555780878.db2.gz UMCCRJBWHJCBAP-UHFFFAOYSA-N 0 0 448.035 7.486 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002450011 555781136 /nfs/dbraw/zinc/78/11/36/555781136.db2.gz XCUCIDPXMUOLQS-UHFFFAOYSA-N 0 0 438.597 5.310 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2cccs2)cc1 ZINC000002450635 555781400 /nfs/dbraw/zinc/78/14/00/555781400.db2.gz QIQNUROZFDAHAW-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 ZINC000002450649 555781458 /nfs/dbraw/zinc/78/14/58/555781458.db2.gz ZBXWDSYYHJPTIN-UHFFFAOYSA-N 0 0 438.597 5.392 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1C ZINC000002450421 555781477 /nfs/dbraw/zinc/78/14/77/555781477.db2.gz VVVGTEAVKGADGO-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1C ZINC000002450345 555781489 /nfs/dbraw/zinc/78/14/89/555781489.db2.gz AJFYETQQSKEJDN-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002451631 555781804 /nfs/dbraw/zinc/78/18/04/555781804.db2.gz XSJRJBXQHQZTDR-UHFFFAOYSA-N 0 0 449.407 5.817 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 ZINC000002452869 555781992 /nfs/dbraw/zinc/78/19/92/555781992.db2.gz HSTUZTNMIUDKME-UHFFFAOYSA-N 0 0 428.989 5.692 50 0 IKAARN Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(C(C)C)cc3)cnn2-c2ccccc2)cc1 ZINC000002452164 555782044 /nfs/dbraw/zinc/78/20/44/555782044.db2.gz YEEMPDZHZGBUJN-UHFFFAOYSA-N 0 0 438.531 5.809 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 ZINC000002452005 555782049 /nfs/dbraw/zinc/78/20/49/555782049.db2.gz SFIIXPQTKSZVFM-UHFFFAOYSA-N 0 0 425.897 5.164 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000002452698 555782081 /nfs/dbraw/zinc/78/20/81/555782081.db2.gz JODIXSGEOAAMNP-UHFFFAOYSA-N 0 0 448.979 5.881 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1cccc(C)c1 ZINC000002452961 555782372 /nfs/dbraw/zinc/78/23/72/555782372.db2.gz OVBNDJXOJQSGJN-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cccc(C)c2)cc1 ZINC000002453541 555782375 /nfs/dbraw/zinc/78/23/75/555782375.db2.gz JVSWQVZRZRLOLZ-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000002454489 555782539 /nfs/dbraw/zinc/78/25/39/555782539.db2.gz CSHVKWWGIONEGL-SFHVURJKSA-N 0 0 446.576 6.080 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000002454070 555782544 /nfs/dbraw/zinc/78/25/44/555782544.db2.gz MRJOVQYMJCHMDO-UHFFFAOYSA-N 0 0 436.625 5.853 50 0 IKAARN COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)c1 ZINC000002454479 555782600 /nfs/dbraw/zinc/78/26/00/555782600.db2.gz GFMZLUVPVCFRLQ-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000002487943 555783883 /nfs/dbraw/zinc/78/38/83/555783883.db2.gz SIFZMSXCJIDILV-LOSJGSFVSA-N 0 0 426.520 5.402 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 ZINC000002495125 555784247 /nfs/dbraw/zinc/78/42/47/555784247.db2.gz FNTQSQMTYHTWOP-MRXNPFEDSA-N 0 0 426.756 5.078 50 0 IKAARN CC(=O)Oc1c(Br)c(Br)c(-c2ccc(C)cc2)c2ccc(C)cc21 ZINC000002506182 555784905 /nfs/dbraw/zinc/78/49/05/555784905.db2.gz ALTBUGVYUSHTGD-UHFFFAOYSA-N 0 0 448.154 6.574 50 0 IKAARN Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCC4)cc1 ZINC000002507010 555785183 /nfs/dbraw/zinc/78/51/83/555785183.db2.gz AASGNGOZUDODES-UHFFFAOYSA-N 0 0 439.005 6.190 50 0 IKAARN Oc1c(Br)cc2ccccc2c1-c1c(O)c(Br)cc2ccccc21 ZINC000002506658 555785234 /nfs/dbraw/zinc/78/52/34/555785234.db2.gz BRTBEAXHUYEXSY-UHFFFAOYSA-N 0 0 444.122 6.596 50 0 IKAARN CCCCCC(=O)Oc1c(Br)cc(Br)cc1Br ZINC000002522832 555785755 /nfs/dbraw/zinc/78/57/55/555785755.db2.gz WKADNUIXFNFRSW-UHFFFAOYSA-N 0 0 428.946 5.460 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000002532644 555786191 /nfs/dbraw/zinc/78/61/91/555786191.db2.gz CUUVJCNEOVQUIN-UHFFFAOYSA-N 0 0 442.357 5.045 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 ZINC000002541782 555786357 /nfs/dbraw/zinc/78/63/57/555786357.db2.gz FRNCNCJPTPYWKG-NHCUHLMSSA-N 0 0 436.899 5.345 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3ncnn31)c1ccccc1O[C@@H]2c1cccc(Cl)c1 ZINC000002542273 555786760 /nfs/dbraw/zinc/78/67/60/555786760.db2.gz QEIYBEYZJLEQCU-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN Cc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@H](c3ccccc3F)C21 ZINC000002542268 555786776 /nfs/dbraw/zinc/78/67/76/555786776.db2.gz WNISQGAYTJXXDB-DNQXCXABSA-N 0 0 444.897 5.592 50 0 IKAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002561717 555787670 /nfs/dbraw/zinc/78/76/70/555787670.db2.gz ZHTDTNVWRMQKMD-GFCCVEGCSA-N 0 0 427.344 6.283 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000002578764 555788612 /nfs/dbraw/zinc/78/86/12/555788612.db2.gz JBXQRKGSBROHEW-UHFFFAOYSA-N 0 0 441.943 6.492 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1ccc(Cl)cc1 ZINC000002591056 555789185 /nfs/dbraw/zinc/78/91/85/555789185.db2.gz FBZZIJVBUSRRKV-UHFFFAOYSA-N 0 0 448.931 6.073 50 0 IKAARN CC(C)c1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000002592791 555789205 /nfs/dbraw/zinc/78/92/05/555789205.db2.gz SUPXGCLYZSKISH-UHFFFAOYSA-N 0 0 428.120 5.319 50 0 IKAARN O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)N1CCc2ccccc21 ZINC000002630079 555790067 /nfs/dbraw/zinc/79/00/67/555790067.db2.gz JLKQBOVEYGDYSW-PXLXIMEGSA-N 0 0 435.882 5.152 50 0 IKAARN CCc1nc2c3ccccc3oc2c(Nc2ccc(O)c(-c3nc4ccccc4s3)c2)n1 ZINC000002605643 555790229 /nfs/dbraw/zinc/79/02/29/555790229.db2.gz XLTXJQFVCDXPDR-UHFFFAOYSA-N 0 0 438.512 6.664 50 0 IKAARN C[C@@H](NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)c1ccccc1 ZINC000034679799 555790387 /nfs/dbraw/zinc/79/03/87/555790387.db2.gz QQRHIDMHQSGFSX-OAQYLSRUSA-N 0 0 438.527 5.547 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)Nc1ccc(F)cc1 ZINC000034679852 555790827 /nfs/dbraw/zinc/79/08/27/555790827.db2.gz QEGOGGDHOHLFKS-UHFFFAOYSA-N 0 0 430.523 5.730 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccncc2)cc1 ZINC000034679890 555791181 /nfs/dbraw/zinc/79/11/81/555791181.db2.gz TZQZBXANHNELBZ-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667472 555791766 /nfs/dbraw/zinc/79/17/66/555791766.db2.gz YAXFIAZKGNUNPQ-WINIVTDRSA-N 0 0 444.550 5.019 50 0 IKAARN C[C@@H](NC(=O)c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1)c1ccccc1 ZINC000034668643 555792437 /nfs/dbraw/zinc/79/24/37/555792437.db2.gz XQOWZKBOBOHYPD-HXUWFJFHSA-N 0 0 433.983 5.153 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c2Oc2ccccc2)cc1 ZINC000034672287 555793496 /nfs/dbraw/zinc/79/34/96/555793496.db2.gz JHWIXPPLMZSEMS-UHFFFAOYSA-N 0 0 445.494 5.692 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NCc1ccccn1 ZINC000034672361 555793535 /nfs/dbraw/zinc/79/35/35/555793535.db2.gz CLYVCYAMBCFVJY-UHFFFAOYSA-N 0 0 444.510 5.065 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1F ZINC000034672399 555793795 /nfs/dbraw/zinc/79/37/95/555793795.db2.gz BUIAGDORPDZYOO-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccccn3)cc2)cc1 ZINC000034675978 555794403 /nfs/dbraw/zinc/79/44/03/555794403.db2.gz RRXJGIQPYVXQAU-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3cccnc3)cc2)cc1 ZINC000034675979 555794424 /nfs/dbraw/zinc/79/44/24/555794424.db2.gz IBYIKYWADYCDLX-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002678274 555797657 /nfs/dbraw/zinc/79/76/57/555797657.db2.gz IJTBHYFHLJWCCA-AWEZNQCLSA-N 0 0 446.083 5.897 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(F)cc1 ZINC000002677848 555797821 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6.462 50 0 IKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002732767 555805113 /nfs/dbraw/zinc/80/51/13/555805113.db2.gz VBUOQUARXBPWMF-UHFFFAOYSA-N 0 0 447.007 5.984 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002735477 555805853 /nfs/dbraw/zinc/80/58/53/555805853.db2.gz XRSHZKAJYLXSJW-ZDUSSCGKSA-N 0 0 437.508 5.539 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCCC2 ZINC000002736577 555806254 /nfs/dbraw/zinc/80/62/54/555806254.db2.gz OEYIFWOZPMIVFT-UHFFFAOYSA-N 0 0 433.398 5.142 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccc(C)c3)nc3ccccc31)CCC2 ZINC000002736749 555806554 /nfs/dbraw/zinc/80/65/54/555806554.db2.gz OLZDFEXEGQWIDV-UHFFFAOYSA-N 0 0 442.540 5.799 50 0 IKAARN CCC[C@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(N)=O)C1 ZINC000002736763 555806595 /nfs/dbraw/zinc/80/65/95/555806595.db2.gz SXAIYVQRUSCHFC-HNNXBMFYSA-N 0 0 446.572 5.628 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCCC2 ZINC000002737779 555806752 /nfs/dbraw/zinc/80/67/52/555806752.db2.gz IGDDTILNJMCRHF-UHFFFAOYSA-N 0 0 426.365 6.141 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)c3ccccc3n2)s1 ZINC000002738502 555806821 /nfs/dbraw/zinc/80/68/21/555806821.db2.gz RNJOXADEQSQCSB-UHFFFAOYSA-N 0 0 435.961 6.787 50 0 IKAARN Cc1ccc(COc2cccc(/C=C3\N=C(c4ccccc4Br)OC3=O)c2)cc1 ZINC000002740211 555807149 /nfs/dbraw/zinc/80/71/49/555807149.db2.gz CYTBTDPRFJMGQP-HMAPJEAMSA-N 0 0 448.316 5.681 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCCC)cc3)cc2)cc1 ZINC000002742023 555807360 /nfs/dbraw/zinc/80/73/60/555807360.db2.gz MFXLREXGYOKWPC-UHFFFAOYSA-N 0 0 428.576 6.876 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000002741434 555807484 /nfs/dbraw/zinc/80/74/84/555807484.db2.gz ZVACHOGGXGSWIK-OIQJVACTSA-N 0 0 446.012 6.381 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccccc1Cl ZINC000002742386 555807585 /nfs/dbraw/zinc/80/75/85/555807585.db2.gz ILVLRGCAAGBNPL-UHFFFAOYSA-N 0 0 436.924 5.024 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000002745617 555808577 /nfs/dbraw/zinc/80/85/77/555808577.db2.gz WLBNZDOXOFSPJG-KRWDZBQOSA-N 0 0 428.359 6.099 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCCCC2 ZINC000002745028 555808633 /nfs/dbraw/zinc/80/86/33/555808633.db2.gz JEBIFHPMTFHKAA-UHFFFAOYSA-N 0 0 447.425 5.532 50 0 IKAARN C[C@H]1CN(C(=S)Nc2cccc(Cl)c2)CCN1C(=S)Nc1cccc(Cl)c1 ZINC000002747958 555809544 /nfs/dbraw/zinc/80/95/44/555809544.db2.gz NVHOPPQLVVUPIO-ZDUSSCGKSA-N 0 0 439.437 5.093 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002748207 555809789 /nfs/dbraw/zinc/80/97/89/555809789.db2.gz PTYSLUGUHDSFPI-UHFFFAOYSA-N 0 0 436.389 5.902 50 0 IKAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000034694956 555810030 /nfs/dbraw/zinc/81/00/30/555810030.db2.gz ZTRBXDQAJTZOCQ-QFIPXVFZSA-N 0 0 443.330 5.098 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)cc1 ZINC000002749814 555810038 /nfs/dbraw/zinc/81/00/38/555810038.db2.gz HZTBEOQRHOHHNU-UHFFFAOYSA-N 0 0 437.326 6.860 50 0 IKAARN CC(C)(C)C1CCC(OC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)CC1 ZINC000002750317 555810155 /nfs/dbraw/zinc/81/01/55/555810155.db2.gz BLBLGJKORKRRSD-UHFFFAOYSA-N 0 0 425.352 6.927 50 0 IKAARN CCCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)Nc3ccccc3OC)nc21 ZINC000002751035 555810351 /nfs/dbraw/zinc/81/03/51/555810351.db2.gz QZSBBSNBMDVPHQ-FQEVSTJZSA-N 0 0 449.580 5.298 50 0 IKAARN CC[C@H](SC1=NCCS1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002751190 555810354 /nfs/dbraw/zinc/81/03/54/555810354.db2.gz TWRAQIIPPMXMRM-KRWDZBQOSA-N 0 0 427.620 5.825 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002751623 555810403 /nfs/dbraw/zinc/81/04/03/555810403.db2.gz GWLMEGNZVAMQAV-KRWDZBQOSA-N 0 0 449.381 6.960 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1C ZINC000002752260 555810564 /nfs/dbraw/zinc/81/05/64/555810564.db2.gz MBNCTHZCNZELBF-UHFFFAOYSA-N 0 0 435.354 6.755 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002753151 555810980 /nfs/dbraw/zinc/81/09/80/555810980.db2.gz WCVHWSSITVSVBK-UHFFFAOYSA-N 0 0 441.745 7.423 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NCC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000002757040 555811241 /nfs/dbraw/zinc/81/12/41/555811241.db2.gz STYDNSJRPHAVPR-UHFFFAOYSA-N 0 0 434.624 5.564 50 0 IKAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccccc1)CCCCCCCCCC2 ZINC000002759879 555812063 /nfs/dbraw/zinc/81/20/63/555812063.db2.gz NIVNQCMCOLDZAL-UHFFFAOYSA-N 0 0 427.610 6.785 50 0 IKAARN NC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCCCCCCC2 ZINC000002761810 555812777 /nfs/dbraw/zinc/81/27/77/555812777.db2.gz PKGQWSMOSSEWRZ-UHFFFAOYSA-N 0 0 449.016 5.737 50 0 IKAARN Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000034680107 555813097 /nfs/dbraw/zinc/81/30/97/555813097.db2.gz ABANRZRSWUXKMJ-NRFANRHFSA-N 0 0 426.560 5.358 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCC(C)C)cc2)cc1 ZINC000034680096 555813172 /nfs/dbraw/zinc/81/31/72/555813172.db2.gz XHGVNJACCOSGCC-UHFFFAOYSA-N 0 0 428.576 5.465 50 0 IKAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000034680126 555813472 /nfs/dbraw/zinc/81/34/72/555813472.db2.gz MOLKWNHCFOBZCK-SAPNQHFASA-N 0 0 426.560 5.310 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000002764560 555813803 /nfs/dbraw/zinc/81/38/03/555813803.db2.gz VMWAZQLMNIJGHM-GOSISDBHSA-N 0 0 428.337 5.123 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Br)ccc3n2)cc1 ZINC000002767004 555814017 /nfs/dbraw/zinc/81/40/17/555814017.db2.gz MQFACNDAUYKFNK-UHFFFAOYSA-N 0 0 437.381 6.198 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1ccccc1 ZINC000002767058 555814045 /nfs/dbraw/zinc/81/40/45/555814045.db2.gz VVAMRQWOKVFKKY-UHFFFAOYSA-N 0 0 431.966 5.976 50 0 IKAARN CCOc1cc(C=O)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000002767664 555814346 /nfs/dbraw/zinc/81/43/46/555814346.db2.gz PLUCUZQWBLMBFC-UHFFFAOYSA-N 0 0 448.538 5.655 50 0 IKAARN COc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000002767651 555814378 /nfs/dbraw/zinc/81/43/78/555814378.db2.gz ZUPPMSFOMPJIMA-UHFFFAOYSA-N 0 0 447.332 5.603 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000002768637 555814532 /nfs/dbraw/zinc/81/45/32/555814532.db2.gz KLTCXBHORMSMLP-CQSZACIVSA-N 0 0 429.925 5.651 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NCCc1ccc(Cl)cc1 ZINC000002769106 555814571 /nfs/dbraw/zinc/81/45/71/555814571.db2.gz MGXIZCOBPZIWQG-UHFFFAOYSA-N 0 0 435.354 6.490 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000002768638 555814613 /nfs/dbraw/zinc/81/46/13/555814613.db2.gz KLTCXBHORMSMLP-AWEZNQCLSA-N 0 0 429.925 5.651 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc32)cc1 ZINC000002769782 555814967 /nfs/dbraw/zinc/81/49/67/555814967.db2.gz HFPGAFOCXXQQOR-KRWDZBQOSA-N 0 0 442.515 5.419 50 0 IKAARN O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002773581 555816801 /nfs/dbraw/zinc/81/68/01/555816801.db2.gz RCFLVDKJAVKCRY-UHFFFAOYSA-N 0 0 437.282 6.190 50 0 IKAARN CCOc1ccc2nc(SCCC(=O)Nc3ccc(Br)cc3)sc2c1 ZINC000002773742 555816864 /nfs/dbraw/zinc/81/68/64/555816864.db2.gz WDTYIICAECEPNK-UHFFFAOYSA-N 0 0 437.384 5.578 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000002774416 555817088 /nfs/dbraw/zinc/81/70/88/555817088.db2.gz DSBBITWXWWNNNK-UHFFFAOYSA-N 0 0 428.576 7.055 50 0 IKAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 ZINC000002777177 555818457 /nfs/dbraw/zinc/81/84/57/555818457.db2.gz WUVXBKQJODUBRR-QFBILLFUSA-N 0 0 429.582 5.463 50 0 IKAARN Clc1ccccc1CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000002784403 555820529 /nfs/dbraw/zinc/82/05/29/555820529.db2.gz VBELRPWZPHWBAR-UHFFFAOYSA-N 0 0 430.964 6.168 50 0 IKAARN CCc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000002799052 555823745 /nfs/dbraw/zinc/82/37/45/555823745.db2.gz HUWCRRSTNBIRDM-AWEZNQCLSA-N 0 0 431.483 5.844 50 0 IKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccc(C(F)(F)F)c1 ZINC000002799085 555823825 /nfs/dbraw/zinc/82/38/25/555823825.db2.gz XHISFMGNTZHABP-UHFFFAOYSA-N 0 0 447.360 5.505 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCc2ccccc21 ZINC000002799059 555823832 /nfs/dbraw/zinc/82/38/32/555823832.db2.gz CPTCBJCKCGVDGJ-AWEZNQCLSA-N 0 0 429.467 5.232 50 0 IKAARN CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710151 555824132 /nfs/dbraw/zinc/82/41/32/555824132.db2.gz OKOYLWNJPGAUJF-RBBKRZOGSA-N 0 0 444.497 5.054 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4cc(C)ccc4C)cc3)n2)cc1 ZINC000034711814 555824817 /nfs/dbraw/zinc/82/48/17/555824817.db2.gz SUQJAJPQCGHNDO-UHFFFAOYSA-N 0 0 444.556 6.267 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1 ZINC000034711886 555824827 /nfs/dbraw/zinc/82/48/27/555824827.db2.gz KZGXXVURWCJYKP-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN O=C(NCCc1ccccn1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 ZINC000034711831 555824838 /nfs/dbraw/zinc/82/48/38/555824838.db2.gz VFSUWPBGBKAFQX-UHFFFAOYSA-N 0 0 449.963 5.410 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000034711872 555824850 /nfs/dbraw/zinc/82/48/50/555824850.db2.gz GHTZSOROSVKVHS-UHFFFAOYSA-N 0 0 432.520 5.800 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000034711666 555824871 /nfs/dbraw/zinc/82/48/71/555824871.db2.gz DVEGMNUGVNKALN-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000034711660 555824885 /nfs/dbraw/zinc/82/48/85/555824885.db2.gz ZPGOLIXRVYZOKB-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN O=C(c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1)N1CCOCC1 ZINC000034712060 555825170 /nfs/dbraw/zinc/82/51/70/555825170.db2.gz QJHXYEQFXGETPK-UHFFFAOYSA-N 0 0 449.359 5.168 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 ZINC000034712027 555825184 /nfs/dbraw/zinc/82/51/84/555825184.db2.gz IOAWRRAXAMBKQZ-INIZCTEOSA-N 0 0 446.931 5.090 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3ccc(OCc4cc(F)cc(F)c4)cc3)n2)cc1 ZINC000034712076 555825494 /nfs/dbraw/zinc/82/54/94/555825494.db2.gz CHUZWUFNAACDIX-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN CCOc1ccc(-c2nc(C(=O)NCc3cccc(C(F)(F)F)c3)cs2)cc1OC ZINC000034712308 555825533 /nfs/dbraw/zinc/82/55/33/555825533.db2.gz CFQSNXZEBJCHKE-UHFFFAOYSA-N 0 0 436.455 5.166 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3ccc(OCc4cc(F)ccc4F)cc3)n2)cc1 ZINC000034712102 555825539 /nfs/dbraw/zinc/82/55/39/555825539.db2.gz FTZCBGHHJHGOIW-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000034712124 555825547 /nfs/dbraw/zinc/82/55/47/555825547.db2.gz FMYFCQKJLNNOCL-UHFFFAOYSA-N 0 0 435.376 6.178 50 0 IKAARN COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000034712185 555825549 /nfs/dbraw/zinc/82/55/49/555825549.db2.gz MJKQVZZNCRZCOW-UHFFFAOYSA-N 0 0 448.466 5.309 50 0 IKAARN O=C(c1csc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)n1)N1CCCC1 ZINC000034712641 555825749 /nfs/dbraw/zinc/82/57/49/555825749.db2.gz PCPNZLGFAWSVDJ-UHFFFAOYSA-N 0 0 432.467 5.644 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3cccc(OCc4ccccc4F)c3)n2)cc1 ZINC000034712656 555825794 /nfs/dbraw/zinc/82/57/94/555825794.db2.gz MVUMZBLFAOPTNI-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN O=C(NCc1ccncc1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034712941 555826078 /nfs/dbraw/zinc/82/60/78/555826078.db2.gz LHOHILSCRCKMOE-UHFFFAOYSA-N 0 0 435.936 5.368 50 0 IKAARN O=C(NC1CC1)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2F)n1 ZINC000034713166 555826355 /nfs/dbraw/zinc/82/63/55/555826355.db2.gz OCORHCOTHMEPAD-UHFFFAOYSA-N 0 0 436.430 5.439 50 0 IKAARN COCCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2Cl)n1 ZINC000034713135 555826384 /nfs/dbraw/zinc/82/63/84/555826384.db2.gz VZOXKFIYIUNHQN-UHFFFAOYSA-N 0 0 437.348 5.072 50 0 IKAARN O=C(NC1CC1)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)n1 ZINC000034713437 555826648 /nfs/dbraw/zinc/82/66/48/555826648.db2.gz FZVLYMUJXKYCGN-UHFFFAOYSA-N 0 0 436.430 5.439 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1 ZINC000034713523 555826984 /nfs/dbraw/zinc/82/69/84/555826984.db2.gz HLMBFJDMIMUJBZ-UHFFFAOYSA-N 0 0 444.434 5.329 50 0 IKAARN COc1c(Cl)cc(Cl)cc1[C@@H](Nc1ccccc1)P1(=O)OCC(C)(C)CO1 ZINC000002810199 555827027 /nfs/dbraw/zinc/82/70/27/555827027.db2.gz RAVBYZKZNMDXHZ-SFHVURJKSA-N 0 0 430.268 6.379 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc2ccccc21 ZINC000002810473 555827233 /nfs/dbraw/zinc/82/72/33/555827233.db2.gz NQDIQAYTOGDUHM-UHFFFAOYSA-N 0 0 439.565 6.243 50 0 IKAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc5ccccc54)ccc3o2)c1 ZINC000002814063 555828193 /nfs/dbraw/zinc/82/81/93/555828193.db2.gz GZCXGYNHRYGRHG-UHFFFAOYSA-N 0 0 437.524 6.083 50 0 IKAARN CCCC[C@@H](C(=O)Nc1cc(C)ccc1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002814289 555828232 /nfs/dbraw/zinc/82/82/32/555828232.db2.gz UICQFXBRSBGGNZ-IBGZPJMESA-N 0 0 433.335 5.404 50 0 IKAARN COc1ccc(CSc2nc3ccccc3nc2SCc2ccc(OC)cc2)cc1 ZINC000002818085 555829066 /nfs/dbraw/zinc/82/90/66/555829066.db2.gz ZNHUKGKZKWEKCZ-UHFFFAOYSA-N 0 0 434.586 6.232 50 0 IKAARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)N(C)C2=S)cc1 ZINC000002818679 555829456 /nfs/dbraw/zinc/82/94/56/555829456.db2.gz PJOKUSWPJGNAIR-ULJHMMPZSA-N 0 0 444.556 5.269 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 ZINC000002821853 555830055 /nfs/dbraw/zinc/83/00/55/555830055.db2.gz QCWUZWDDADRMGX-LJQANCHMSA-N 0 0 438.965 6.049 50 0 IKAARN Cc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1 ZINC000002822675 555830069 /nfs/dbraw/zinc/83/00/69/555830069.db2.gz IFGLJVXSSKBMIN-JOCHJYFZSA-N 0 0 430.508 5.782 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccccc1-2 ZINC000002821854 555830079 /nfs/dbraw/zinc/83/00/79/555830079.db2.gz QCWUZWDDADRMGX-IBGZPJMESA-N 0 0 438.965 6.049 50 0 IKAARN Oc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1Cl ZINC000002821803 555830116 /nfs/dbraw/zinc/83/01/16/555830116.db2.gz UBEWXGPHLXEUDC-NRFANRHFSA-N 0 0 448.935 5.693 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)Nc1ccc(Br)cc1-2 ZINC000002822141 555830155 /nfs/dbraw/zinc/83/01/55/555830155.db2.gz XXMAKLCSYHOMKJ-MRXNPFEDSA-N 0 0 449.761 5.570 50 0 IKAARN CCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000002822022 555830192 /nfs/dbraw/zinc/83/01/92/555830192.db2.gz LCNCGMAORMKODE-QFIPXVFZSA-N 0 0 430.533 5.706 50 0 IKAARN CCOc1cc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)cc(OCC)c1OCC ZINC000002823723 555830374 /nfs/dbraw/zinc/83/03/74/555830374.db2.gz SRCDBWBGAQQCDF-UHFFFAOYSA-N 0 0 437.323 5.830 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000002824350 555830637 /nfs/dbraw/zinc/83/06/37/555830637.db2.gz DKNKHSHXSZXHSJ-UHFFFAOYSA-N 0 0 430.961 6.020 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000002824264 555830647 /nfs/dbraw/zinc/83/06/47/555830647.db2.gz GPIAEMYBQYLQBI-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN Cc1ccc(OCCSCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000002824438 555830735 /nfs/dbraw/zinc/83/07/35/555830735.db2.gz PSFJREGYGFRLTH-UHFFFAOYSA-N 0 0 428.583 5.420 50 0 IKAARN CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000002828272 555831509 /nfs/dbraw/zinc/83/15/09/555831509.db2.gz QFQYTHFNAITTDT-SXGWCWSVSA-N 0 0 426.296 5.768 50 0 IKAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000002835251 555832398 /nfs/dbraw/zinc/83/23/98/555832398.db2.gz NRTDMDVWCDCPLI-OAHLLOKOSA-N 0 0 444.988 5.210 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000002835281 555832592 /nfs/dbraw/zinc/83/25/92/555832592.db2.gz RDJHZBRRSVDWSR-UHFFFAOYSA-N 0 0 448.523 5.203 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1Cl ZINC000002836268 555832930 /nfs/dbraw/zinc/83/29/30/555832930.db2.gz UBOCCFJRFGBKEV-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000002836257 555832959 /nfs/dbraw/zinc/83/29/59/555832959.db2.gz JTPIGQAAOVBDTF-UHFFFAOYSA-N 0 0 432.951 5.176 50 0 IKAARN COc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002835755 555832970 /nfs/dbraw/zinc/83/29/70/555832970.db2.gz QKNSXGGNQLOGLW-UHFFFAOYSA-N 0 0 449.721 6.160 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002836562 555833218 /nfs/dbraw/zinc/83/32/18/555833218.db2.gz VSJYUBWESZHUKX-UHFFFAOYSA-N 0 0 427.835 5.063 50 0 IKAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000002836978 555833469 /nfs/dbraw/zinc/83/34/69/555833469.db2.gz QAUUDOSQGXAUMG-HNNXBMFYSA-N 0 0 431.989 5.244 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002836751 555833474 /nfs/dbraw/zinc/83/34/74/555833474.db2.gz NDIDKPYIRVXECR-UHFFFAOYSA-N 0 0 438.483 5.992 50 0 IKAARN Cc1cc(Oc2coc3cc(OCC(=O)Nc4ccccc4)ccc3c2=O)cc(C)c1Cl ZINC000002837045 555833791 /nfs/dbraw/zinc/83/37/91/555833791.db2.gz BFWJDZACNXXIFL-UHFFFAOYSA-N 0 0 449.890 5.873 50 0 IKAARN Fc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000002837696 555833798 /nfs/dbraw/zinc/83/37/98/555833798.db2.gz WPBMEYWMJIJHSK-UHFFFAOYSA-N 0 0 426.904 5.293 50 0 IKAARN CCCCC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CCCC)cc3)nc2)cc1 ZINC000002838088 555834058 /nfs/dbraw/zinc/83/40/58/555834058.db2.gz DJIBBFGILMHULY-UHFFFAOYSA-N 0 0 430.552 6.068 50 0 IKAARN CCOc1cc(CNc2cc(Cl)ccc2C)cc(I)c1OC ZINC000002837922 555834062 /nfs/dbraw/zinc/83/40/62/555834062.db2.gz LHOGBYLBLIOYKE-UHFFFAOYSA-N 0 0 431.701 5.272 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000002838594 555834376 /nfs/dbraw/zinc/83/43/76/555834376.db2.gz YYLOAVZAMJDMAI-SJORKVTESA-N 0 0 438.980 5.950 50 0 IKAARN CCc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1cccc(Cl)c1C ZINC000002838783 555834645 /nfs/dbraw/zinc/83/46/45/555834645.db2.gz IHPOMHHVFOWASG-UHFFFAOYSA-N 0 0 436.939 5.789 50 0 IKAARN COc1ccc(-c2nc(N(C(=O)C3CCCCC3)c3ccc(Cl)cc3)sc2C)cc1 ZINC000002838774 555834677 /nfs/dbraw/zinc/83/46/77/555834677.db2.gz ZCAJAIPAXLHTRJ-UHFFFAOYSA-N 0 0 440.996 7.026 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000002839767 555835017 /nfs/dbraw/zinc/83/50/17/555835017.db2.gz NOOYIYYQDYJJRC-MRXNPFEDSA-N 0 0 427.331 6.378 50 0 IKAARN Cc1sc(N(C(=O)CCc2ccccc2)c2ccccc2Cl)nc1-c1ccccc1 ZINC000002839810 555835026 /nfs/dbraw/zinc/83/50/26/555835026.db2.gz BORMCUGEOWJXDI-UHFFFAOYSA-N 0 0 432.976 7.069 50 0 IKAARN CSc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002840579 555835029 /nfs/dbraw/zinc/83/50/29/555835029.db2.gz YBNSCBSPZJSWNZ-ZDUSSCGKSA-N 0 0 449.523 6.004 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(Cl)cc1Cl ZINC000002840558 555835058 /nfs/dbraw/zinc/83/50/58/555835058.db2.gz BLAFZINNJKPJAS-AWEZNQCLSA-N 0 0 435.254 5.454 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)c1cccc2ccccc21 ZINC000002840616 555835284 /nfs/dbraw/zinc/83/52/84/555835284.db2.gz IEXUOPUGPXMQAQ-UHFFFAOYSA-N 0 0 430.529 6.031 50 0 IKAARN O=C(CSc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000002842114 555836084 /nfs/dbraw/zinc/83/60/84/555836084.db2.gz NBOHLSNSJWULOZ-UHFFFAOYSA-N 0 0 433.964 5.681 50 0 IKAARN Cc1cccc(-n2c(CCc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)c1 ZINC000002842019 555836088 /nfs/dbraw/zinc/83/60/88/555836088.db2.gz NDSXGPKUFCGPQQ-UHFFFAOYSA-N 0 0 446.551 5.231 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000002841876 555836093 /nfs/dbraw/zinc/83/60/93/555836093.db2.gz WTXMDBSVQUJUBP-UHFFFAOYSA-N 0 0 432.343 5.353 50 0 IKAARN COc1ccc(CCN(C)c2nc3ccccc3c3nnc(C4CCCCC4)n32)cc1OC ZINC000034699981 555836661 /nfs/dbraw/zinc/83/66/61/555836661.db2.gz QWDLYXJTDANUJY-UHFFFAOYSA-N 0 0 445.567 5.021 50 0 IKAARN O=C(OCc1ccc(S(=O)(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002844540 555836913 /nfs/dbraw/zinc/83/69/13/555836913.db2.gz BJCLETZSCJJMHL-UHFFFAOYSA-N 0 0 442.536 5.395 50 0 IKAARN O=C(Nc1nnc(-c2ccccc2SCc2ccc(Cl)cc2)s1)c1cccs1 ZINC000002844529 555836994 /nfs/dbraw/zinc/83/69/94/555836994.db2.gz VNPSPTOZFXVYIX-UHFFFAOYSA-N 0 0 444.006 6.465 50 0 IKAARN CC(C)OC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000002845247 555837318 /nfs/dbraw/zinc/83/73/18/555837318.db2.gz WMACWZCDWPEKFN-UHFFFAOYSA-N 0 0 442.471 5.326 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccc(Br)cc2)cc1 ZINC000002845011 555837337 /nfs/dbraw/zinc/83/73/37/555837337.db2.gz GCGQKBZHIKWYFI-UHFFFAOYSA-N 0 0 440.293 5.067 50 0 IKAARN Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Br)cc2)c1 ZINC000002845964 555837627 /nfs/dbraw/zinc/83/76/27/555837627.db2.gz ABVXAOPYMYXFBU-UHFFFAOYSA-N 0 0 425.326 5.387 50 0 IKAARN O=C(Nc1nnc(CCc2ccccc2)s1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002848196 555838448 /nfs/dbraw/zinc/83/84/48/555838448.db2.gz PJPMAXPAAZXJPN-UHFFFAOYSA-N 0 0 436.540 5.791 50 0 IKAARN O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc2ccccc2c1 ZINC000002849757 555838654 /nfs/dbraw/zinc/83/86/54/555838654.db2.gz LGQPBFCSXIPMMZ-UHFFFAOYSA-N 0 0 441.190 5.716 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000002849811 555838675 /nfs/dbraw/zinc/83/86/75/555838675.db2.gz KZDGFNDXYASYJA-LBPRGKRZSA-N 0 0 435.332 5.713 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1)oc1ccccc12 ZINC000002850501 555838990 /nfs/dbraw/zinc/83/89/90/555838990.db2.gz NWGZACNEXVFILQ-ZDUSSCGKSA-N 0 0 440.293 5.763 50 0 IKAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000002850583 555838992 /nfs/dbraw/zinc/83/89/92/555838992.db2.gz OEQUKYPFHOODQO-GFCCVEGCSA-N 0 0 449.290 5.253 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000002852729 555840168 /nfs/dbraw/zinc/84/01/68/555840168.db2.gz WWBMMAPRSHLAFY-UHFFFAOYSA-N 0 0 447.585 6.257 50 0 IKAARN CCCCc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000002853119 555840404 /nfs/dbraw/zinc/84/04/04/555840404.db2.gz ZMKUKSBSKCKJQA-UHFFFAOYSA-N 0 0 436.577 5.172 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000002853229 555840412 /nfs/dbraw/zinc/84/04/12/555840412.db2.gz QCLAGUIIKYCVCG-UHFFFAOYSA-N 0 0 445.297 6.066 50 0 IKAARN O=C(CSc1nnc(NC(=O)c2ccccc2)s1)N(c1ccccc1)c1ccccc1 ZINC000002854106 555840765 /nfs/dbraw/zinc/84/07/65/555840765.db2.gz QKDFVLNCDVBKKI-UHFFFAOYSA-N 0 0 446.557 5.247 50 0 IKAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)c(C)c1 ZINC000002854948 555841050 /nfs/dbraw/zinc/84/10/50/555841050.db2.gz AYDDZUNWGYTNGC-UHFFFAOYSA-N 0 0 431.627 5.032 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccccc1Br ZINC000002855574 555841330 /nfs/dbraw/zinc/84/13/30/555841330.db2.gz HZLAHSXJNOCGMR-NRFANRHFSA-N 0 0 430.729 5.387 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc2ccccc2c1 ZINC000002856122 555841615 /nfs/dbraw/zinc/84/16/15/555841615.db2.gz FPPYKHLLDBCPMW-UHFFFAOYSA-N 0 0 425.307 5.627 50 0 IKAARN O=C(COc1ccc(Cl)cc1Br)NC(c1ccccc1)c1ccccc1 ZINC000002856103 555841701 /nfs/dbraw/zinc/84/17/01/555841701.db2.gz BUTKBVHNDSXADL-UHFFFAOYSA-N 0 0 430.729 5.387 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000002856967 555842022 /nfs/dbraw/zinc/84/20/22/555842022.db2.gz DEQHPUKUQAKGKF-UHFFFAOYSA-N 0 0 449.359 5.379 50 0 IKAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000002856851 555842062 /nfs/dbraw/zinc/84/20/62/555842062.db2.gz KFYCJXDWUFCLQH-UHFFFAOYSA-N 0 0 428.875 5.884 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002856622 555842073 /nfs/dbraw/zinc/84/20/73/555842073.db2.gz QGIBOKTZEUBDJR-SANMLTNESA-N 0 0 425.553 6.738 50 0 IKAARN CCOc1ccc(NC(=S)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000002858499 555842909 /nfs/dbraw/zinc/84/29/09/555842909.db2.gz UEDJHIWPWWGJDR-UHFFFAOYSA-N 0 0 441.578 5.003 50 0 IKAARN S=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(Br)cc1Cl ZINC000002858674 555843226 /nfs/dbraw/zinc/84/32/26/555843226.db2.gz HLAQGAMUMGJGEF-UHFFFAOYSA-N 0 0 447.785 6.490 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002859726 555843867 /nfs/dbraw/zinc/84/38/67/555843867.db2.gz ZKAHPCFTTCSFDH-XMMPIXPASA-N 0 0 441.502 5.975 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1 ZINC000002860266 555843915 /nfs/dbraw/zinc/84/39/15/555843915.db2.gz RCZLWHIVJXPYOS-DEOSSOPVSA-N 0 0 427.504 5.123 50 0 biogenic IKAARN COC(=O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(C(=O)OC)c1 ZINC000002861472 555844730 /nfs/dbraw/zinc/84/47/30/555844730.db2.gz UPIJMXMJRKVAMX-UHFFFAOYSA-N 0 0 438.288 5.034 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C3=O ZINC000002861413 555844734 /nfs/dbraw/zinc/84/47/34/555844734.db2.gz CJYRVJJGGYMUFV-QHCPKHFHSA-N 0 0 447.893 5.948 50 0 IKAARN O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)NCc1ccccc1Cl ZINC000002861396 555844737 /nfs/dbraw/zinc/84/47/37/555844737.db2.gz NTXRKFDNANFNEY-SFHVURJKSA-N 0 0 444.756 5.647 50 0 IKAARN CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000002862040 555845118 /nfs/dbraw/zinc/84/51/18/555845118.db2.gz BACBVVGHMPNBKM-DEOSSOPVSA-N 0 0 443.474 5.249 50 0 IKAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000002862081 555845339 /nfs/dbraw/zinc/84/53/39/555845339.db2.gz LLYBBOCMHPWIIA-RUZDIDTESA-N 0 0 439.511 5.472 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)cc1 ZINC000002862321 555845353 /nfs/dbraw/zinc/84/53/53/555845353.db2.gz PMFLUVRSCDUNRI-XMMPIXPASA-N 0 0 427.475 5.603 50 0 IKAARN COc1ccc2oc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1 ZINC000002862172 555845371 /nfs/dbraw/zinc/84/53/71/555845371.db2.gz IZUYDWHANMHXBC-UHFFFAOYSA-N 0 0 434.495 6.274 50 0 IKAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000002862197 555845382 /nfs/dbraw/zinc/84/53/82/555845382.db2.gz HYTODNJZUWIRIN-UHFFFAOYSA-N 0 0 445.950 5.959 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C3=O ZINC000002862327 555845407 /nfs/dbraw/zinc/84/54/07/555845407.db2.gz IOBFOKLJVSEVBA-QFIPXVFZSA-N 0 0 433.866 5.639 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C3=O ZINC000002862328 555845411 /nfs/dbraw/zinc/84/54/11/555845411.db2.gz IOBFOKLJVSEVBA-JOCHJYFZSA-N 0 0 433.866 5.639 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000002862494 555845809 /nfs/dbraw/zinc/84/58/09/555845809.db2.gz WCFFLPKJZVSKBM-IBGZPJMESA-N 0 0 426.438 6.090 50 0 IKAARN Cc1cccc(-c2noc(CN(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)C(C)C)n2)c1 ZINC000002862547 555845816 /nfs/dbraw/zinc/84/58/16/555845816.db2.gz AQHGSLXHLPCSMB-IBGZPJMESA-N 0 0 435.568 5.547 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000002862449 555845832 /nfs/dbraw/zinc/84/58/32/555845832.db2.gz OPBQZUDUPGZNRK-HSZRJFAPSA-N 0 0 445.515 5.708 50 0 IKAARN O=C(CSc1nnc(CSCc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000002863121 555846132 /nfs/dbraw/zinc/84/61/32/555846132.db2.gz FRVZNVLMXIRPJU-UHFFFAOYSA-N 0 0 449.576 5.815 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccc(Br)cc4)cc3)sc2c1 ZINC000002864003 555846418 /nfs/dbraw/zinc/84/64/18/555846418.db2.gz DHGSCBAFJWVYPT-UHFFFAOYSA-N 0 0 437.362 6.215 50 0 IKAARN COCCSc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002865312 555846759 /nfs/dbraw/zinc/84/67/59/555846759.db2.gz YPHVWTIZXOYKGJ-UHFFFAOYSA-N 0 0 434.586 6.263 50 0 IKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1 ZINC000002865876 555847068 /nfs/dbraw/zinc/84/70/68/555847068.db2.gz PZMXRRAEBRYLEU-UHFFFAOYSA-N 0 0 448.522 6.582 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Br)ccc2oc1=O ZINC000002866595 555847399 /nfs/dbraw/zinc/84/73/99/555847399.db2.gz XJQKDUOQOAERAF-UHFFFAOYSA-N 0 0 434.289 5.075 50 0 IKAARN CCSc1nnc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)s1 ZINC000002868115 555848382 /nfs/dbraw/zinc/84/83/82/555848382.db2.gz QARJDQFRWVYCPP-UHFFFAOYSA-N 0 0 426.954 5.771 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 ZINC000002868139 555848429 /nfs/dbraw/zinc/84/84/29/555848429.db2.gz TYHYTCZUASAKRX-UHFFFAOYSA-N 0 0 429.907 6.074 50 0 IKAARN O=C(Nc1ccc(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)cc1)c1ccccc1 ZINC000002868654 555848705 /nfs/dbraw/zinc/84/87/05/555848705.db2.gz AIZLONKBZXLZAP-UHFFFAOYSA-N 0 0 435.479 5.527 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C ZINC000002869236 555849030 /nfs/dbraw/zinc/84/90/30/555849030.db2.gz JNOLJEQVCBPUHR-UHFFFAOYSA-N 0 0 436.511 6.834 50 0 IKAARN O=C(CNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)Nc1ccc(F)cc1 ZINC000002869388 555849086 /nfs/dbraw/zinc/84/90/86/555849086.db2.gz MIDKLRDZRHUZSZ-UHFFFAOYSA-N 0 0 431.703 5.369 50 0 IKAARN CCCOP(=O)(OCCC)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000002870273 555849372 /nfs/dbraw/zinc/84/93/72/555849372.db2.gz FVCVQWUTOOUNMO-HXUWFJFHSA-N 0 0 429.419 7.171 50 0 IKAARN O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000002871485 555850006 /nfs/dbraw/zinc/85/00/06/555850006.db2.gz IANGUHIGXVIHKI-UHFFFAOYSA-N 0 0 427.835 5.063 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(c1cccc(Cl)c1)C3=O ZINC000002872429 555850421 /nfs/dbraw/zinc/85/04/21/555850421.db2.gz DFZCPZSABVBUOL-QFIPXVFZSA-N 0 0 433.866 5.952 50 0 IKAARN CCOc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1 ZINC000002873506 555850688 /nfs/dbraw/zinc/85/06/88/555850688.db2.gz RFRVLFMKWWFJDO-UHFFFAOYSA-N 0 0 436.562 5.970 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002872473 555850708 /nfs/dbraw/zinc/85/07/08/555850708.db2.gz UULSIHJTZDBMEH-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3cccc(OC)c3)c3cc(OC)c(OC)cc3c12 ZINC000002873451 555850728 /nfs/dbraw/zinc/85/07/28/555850728.db2.gz RGDIUFCZXXEIQD-UHFFFAOYSA-N 0 0 439.515 5.829 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3ccc(O)cc3)c3cc(OC)c(OC)cc3c12 ZINC000002878734 555853590 /nfs/dbraw/zinc/85/35/90/555853590.db2.gz KUFCUTBKPBYUMH-UHFFFAOYSA-N 0 0 425.488 5.526 50 0 IKAARN COc1cc(Br)c(Nc2nc(-c3cccs3)cs2)c(Br)c1 ZINC000002878756 555853605 /nfs/dbraw/zinc/85/36/05/555853605.db2.gz XGIIDLDFPMDCDJ-UHFFFAOYSA-N 0 0 446.189 6.149 50 0 IKAARN O[C@H](c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1)c1ccccc1 ZINC000002879031 555853847 /nfs/dbraw/zinc/85/38/47/555853847.db2.gz ZKYSQAPFMLNIAS-FQEVSTJZSA-N 0 0 442.371 5.948 50 0 IKAARN O=C(CSc1ccccc1)Nc1ccc(Cl)cc1NC(=O)CSc1ccccc1 ZINC000002879176 555853936 /nfs/dbraw/zinc/85/39/36/555853936.db2.gz ZXUCHGMSZGFKQU-UHFFFAOYSA-N 0 0 442.993 5.802 50 0 IKAARN O[C@@H](c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1)c1ccccc1 ZINC000002879032 555853947 /nfs/dbraw/zinc/85/39/47/555853947.db2.gz ZKYSQAPFMLNIAS-HXUWFJFHSA-N 0 0 442.371 5.948 50 0 IKAARN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccco1 ZINC000002881220 555855252 /nfs/dbraw/zinc/85/52/52/555855252.db2.gz MYRMWISAEXGYHM-UHFFFAOYSA-N 0 0 448.356 5.990 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000002881688 555855638 /nfs/dbraw/zinc/85/56/38/555855638.db2.gz WOYXJCGSYRWCKT-UHFFFAOYSA-N 0 0 446.572 6.421 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(OCC)c1OC)Nc1ccccc1-2 ZINC000002882693 555856304 /nfs/dbraw/zinc/85/63/04/555856304.db2.gz URQIYHKKFWVGBI-NRFANRHFSA-N 0 0 438.553 5.341 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000002883026 555856593 /nfs/dbraw/zinc/85/65/93/555856593.db2.gz FRPSJYDZEPUZFG-UHFFFAOYSA-N 0 0 436.920 6.069 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2s1 ZINC000002885216 555857812 /nfs/dbraw/zinc/85/78/12/555857812.db2.gz JUBKISUUEZNVDF-UHFFFAOYSA-N 0 0 446.985 5.124 50 0 IKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000002885348 555857832 /nfs/dbraw/zinc/85/78/32/555857832.db2.gz GPCYZNFMFKQTRE-QGZVFWFLSA-N 0 0 439.943 5.519 50 0 IKAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000002886251 555858017 /nfs/dbraw/zinc/85/80/17/555858017.db2.gz GHYQSCFQVWYSRX-UHFFFAOYSA-N 0 0 431.319 6.634 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000002886655 555858288 /nfs/dbraw/zinc/85/82/88/555858288.db2.gz JVHBHZGBCYGYLJ-UHFFFAOYSA-N 0 0 430.769 5.312 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC ZINC000002887037 555858302 /nfs/dbraw/zinc/85/83/02/555858302.db2.gz NBQZFASMZYWOMA-UHFFFAOYSA-N 0 0 425.312 5.392 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 ZINC000002886620 555858347 /nfs/dbraw/zinc/85/83/47/555858347.db2.gz QLVRQPFUUPNVEI-UHFFFAOYSA-N 0 0 427.500 5.909 50 0 IKAARN CC[C@@H](C)NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1C ZINC000002888871 555859387 /nfs/dbraw/zinc/85/93/87/555859387.db2.gz DJCRMKXZWDLYPK-CYBMUJFWSA-N 0 0 449.425 5.206 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002890211 555859617 /nfs/dbraw/zinc/85/96/17/555859617.db2.gz JNRDJPYYYNSUJW-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN Brc1ccc(-c2nc3ccccc3nc2-c2ccccc2Br)cc1 ZINC000002897968 555860214 /nfs/dbraw/zinc/86/02/14/555860214.db2.gz OJZNONPLOGFHKH-UHFFFAOYSA-N 0 0 440.138 6.489 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccccc1-2 ZINC000002897537 555860254 /nfs/dbraw/zinc/86/02/54/555860254.db2.gz DZUDKTUBTKPOLW-JOCHJYFZSA-N 0 0 428.517 5.343 50 0 IKAARN CCSc1sc(C(C)(CC)c2cc(C(C)=O)c(SCC)s2)cc1C(C)=O ZINC000002895821 555860311 /nfs/dbraw/zinc/86/03/11/555860311.db2.gz BLRBCOXFDDAGSO-UHFFFAOYSA-N 0 0 426.694 7.155 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccccc1-2 ZINC000002897538 555860316 /nfs/dbraw/zinc/86/03/16/555860316.db2.gz DZUDKTUBTKPOLW-QFIPXVFZSA-N 0 0 428.517 5.343 50 0 IKAARN CCCCn1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)sc1c2CCC1 ZINC000002898893 555860594 /nfs/dbraw/zinc/86/05/94/555860594.db2.gz IJMARBSTTCBPAO-UHFFFAOYSA-N 0 0 432.998 5.375 50 0 IKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000002904506 555860886 /nfs/dbraw/zinc/86/08/86/555860886.db2.gz CITDIWNUSXEOKW-UHFFFAOYSA-N 0 0 433.017 6.185 50 0 IKAARN O=C(N/C(=C\c1ccc(Cl)cc1)C(=O)OCc1ccccc1)c1ccccc1Cl ZINC000002902347 555860956 /nfs/dbraw/zinc/86/09/56/555860956.db2.gz HZGLTPCVDYHLIU-STZFKDTASA-N 0 0 426.299 5.508 50 0 IKAARN CN(C)c1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002905286 555861325 /nfs/dbraw/zinc/86/13/25/555861325.db2.gz ASKZNDKXIOLZQH-UHFFFAOYSA-N 0 0 431.728 5.201 50 0 IKAARN CN(C(=O)c1csc(-c2ccccc2OCc2cc(F)ccc2F)n1)c1ccccc1 ZINC000034723254 555861606 /nfs/dbraw/zinc/86/16/06/555861606.db2.gz MWWGSDDJCVFWQK-UHFFFAOYSA-N 0 0 436.483 5.944 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000002920883 555863037 /nfs/dbraw/zinc/86/30/37/555863037.db2.gz ANFRCXQGYYUNCH-SFHVURJKSA-N 0 0 443.370 5.696 50 0 IKAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002917907 555863083 /nfs/dbraw/zinc/86/30/83/555863083.db2.gz LMDQPAJOZJBVBM-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN CCCCOC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccc(OCC)cc1)c2=O ZINC000002919852 555863104 /nfs/dbraw/zinc/86/31/04/555863104.db2.gz NBOQRQIFONJGOU-UHFFFAOYSA-N 0 0 426.465 5.015 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000002922101 555863517 /nfs/dbraw/zinc/86/35/17/555863517.db2.gz UGTLNPKCWVKWKL-UHFFFAOYSA-N 0 0 449.337 6.972 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002922297 555863531 /nfs/dbraw/zinc/86/35/31/555863531.db2.gz DDGNGCKOXPTWHX-UHFFFAOYSA-N 0 0 437.326 6.778 50 0 IKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002932696 555864185 /nfs/dbraw/zinc/86/41/85/555864185.db2.gz DLFWHIGAXBRTAI-UHFFFAOYSA-N 0 0 431.495 6.174 50 0 IKAARN O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1ccccc1Cl ZINC000002937033 555864507 /nfs/dbraw/zinc/86/45/07/555864507.db2.gz ONKLPDZBPRYEOE-UHFFFAOYSA-N 0 0 440.977 6.373 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 ZINC000002938955 555864785 /nfs/dbraw/zinc/86/47/85/555864785.db2.gz OHWIOUKRYUMXOV-UHFFFAOYSA-N 0 0 429.523 6.833 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl ZINC000002939199 555864792 /nfs/dbraw/zinc/86/47/92/555864792.db2.gz JLPCOHUCEXFQRP-UHFFFAOYSA-N 0 0 427.728 5.647 50 0 IKAARN Cc1ccccc1OCCOCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000002938838 555864794 /nfs/dbraw/zinc/86/47/94/555864794.db2.gz HPAROOPKLMHOFX-UHFFFAOYSA-N 0 0 434.923 5.121 50 0 IKAARN Cc1cc([C@@H]2CC[C@@H](C(=O)NCc3cccc(F)c3)CN2C(=O)C2CCCC2)ccc1F ZINC000034715397 555865037 /nfs/dbraw/zinc/86/50/37/555865037.db2.gz FCANQNJFXVFXFC-QPPBQGQZSA-N 0 0 440.534 5.060 50 0 IKAARN Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002944905 555865099 /nfs/dbraw/zinc/86/50/99/555865099.db2.gz ZZGMLWPBMVXNMT-UHFFFAOYSA-N 0 0 441.158 6.039 50 0 IKAARN Cc1ccc(C(=O)N2CCCC[C@H]2C)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034723827 555865363 /nfs/dbraw/zinc/86/53/63/555865363.db2.gz GKKDKHMLTDBQDM-GOSISDBHSA-N 0 0 439.987 5.078 50 0 IKAARN Clc1ccc(OCCOCCOc2ccc(Cl)c3ccccc23)c2ccccc12 ZINC000002947330 555865451 /nfs/dbraw/zinc/86/54/51/555865451.db2.gz ZFXQYTWMBAAZFM-UHFFFAOYSA-N 0 0 427.327 6.774 50 0 IKAARN O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002947805 555865746 /nfs/dbraw/zinc/86/57/46/555865746.db2.gz UBHMVGIOAKPOJL-FQEVSTJZSA-N 0 0 432.829 5.410 50 0 IKAARN O=C(Nc1ccc(I)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002951521 555866026 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FC(F)(F)c1ccc2nnc(-c3cc(Br)ccc3OCc3ccccc3)n2c1 ZINC000002967686 555868562 /nfs/dbraw/zinc/86/85/62/555868562.db2.gz OVXVBLOTTAHJMP-UHFFFAOYSA-N 0 0 448.242 5.757 50 0 IKAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc21 ZINC000002967774 555868768 /nfs/dbraw/zinc/86/87/68/555868768.db2.gz KGIZQMRILXOOLS-UHFFFAOYSA-N 0 0 444.892 5.632 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000002970208 555869068 /nfs/dbraw/zinc/86/90/68/555869068.db2.gz YDMOMRAUTCBXKB-UHFFFAOYSA-N 0 0 431.706 6.636 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000002969427 555869104 /nfs/dbraw/zinc/86/91/04/555869104.db2.gz NFOONFVKIMHGGN-UHFFFAOYSA-N 0 0 446.865 7.108 50 0 IKAARN Cc1c(NC(=O)c2sc3ccccc3c2Cl)cccc1-c1nc2ccccc2s1 ZINC000002969616 555869134 /nfs/dbraw/zinc/86/91/34/555869134.db2.gz ALAYFZDVPPBTPN-UHFFFAOYSA-N 0 0 434.973 7.392 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1sc2ccccc2c1Cl ZINC000002969897 555869140 /nfs/dbraw/zinc/86/91/40/555869140.db2.gz FDKGMIJGWDHAHK-UHFFFAOYSA-N 0 0 436.945 6.789 50 0 IKAARN Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000002974255 555869643 /nfs/dbraw/zinc/86/96/43/555869643.db2.gz MKWYZLZQCZHPPF-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN Cc1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000002976929 555870079 /nfs/dbraw/zinc/87/00/79/555870079.db2.gz GBFRSGCUZKBCPC-UHFFFAOYSA-N 0 0 429.274 6.793 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccc(Br)cc1-2 ZINC000002977291 555870356 /nfs/dbraw/zinc/87/03/56/555870356.db2.gz DAARFNWXKXOVTH-IQIBNGDESA-N 0 0 445.342 5.240 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccc(Br)cc1-2 ZINC000002977293 555870404 /nfs/dbraw/zinc/87/04/04/555870404.db2.gz DAARFNWXKXOVTH-BVBGJJFLSA-N 0 0 445.342 5.240 50 0 IKAARN COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2SCc2ccccc2)s1 ZINC000002978266 555870580 /nfs/dbraw/zinc/87/05/80/555870580.db2.gz BWJQDOVNYXQWEO-UHFFFAOYSA-N 0 0 448.573 6.150 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1F ZINC000002978462 555870594 /nfs/dbraw/zinc/87/05/94/555870594.db2.gz CIQDQDDZSMQMAS-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc(Cl)c1 ZINC000002978631 555870982 /nfs/dbraw/zinc/87/09/82/555870982.db2.gz ORMXCSPHJJDGEN-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000002978961 555871243 /nfs/dbraw/zinc/87/12/43/555871243.db2.gz BEBPKXBLUCCJAE-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN Cc1cccc(OP(=O)(NC(c2ccccc2)c2ccccc2)Oc2cccc(C)c2)c1 ZINC000002981327 555872153 /nfs/dbraw/zinc/87/21/53/555872153.db2.gz PFGFOXFKCYYUGX-UHFFFAOYSA-N 0 0 443.483 7.249 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 ZINC000002982092 555872481 /nfs/dbraw/zinc/87/24/81/555872481.db2.gz WWAKNXSMRSETGY-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)cc1 ZINC000002981945 555872523 /nfs/dbraw/zinc/87/25/23/555872523.db2.gz UOXXMLBZJFAZJD-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000002982134 555872539 /nfs/dbraw/zinc/87/25/39/555872539.db2.gz LEDNUPUSYGOLGW-LLVKDONJSA-N 0 0 446.161 5.287 50 0 IKAARN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccc(C)c(C)c1 ZINC000002982463 555872803 /nfs/dbraw/zinc/87/28/03/555872803.db2.gz HECJDKUZULTBJW-UHFFFAOYSA-N 0 0 440.565 5.658 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3)sc2c1 ZINC000002982841 555873089 /nfs/dbraw/zinc/87/30/89/555873089.db2.gz JYTKJMGPHLBFHK-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(Cl)cc1 ZINC000002982661 555873110 /nfs/dbraw/zinc/87/31/10/555873110.db2.gz NCNJYXOLTULFRH-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000002982683 555873113 /nfs/dbraw/zinc/87/31/13/555873113.db2.gz QEMVPYBAUPBDGR-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(Cl)c1 ZINC000002982671 555873154 /nfs/dbraw/zinc/87/31/54/555873154.db2.gz IEFSSMVTNQEVCY-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000002984818 555873783 /nfs/dbraw/zinc/87/37/83/555873783.db2.gz NVLAMGXDHHQQIL-UHFFFAOYSA-N 0 0 431.989 5.244 50 0 IKAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000002985208 555873821 /nfs/dbraw/zinc/87/38/21/555873821.db2.gz KERQECXMNVDOAE-UHFFFAOYSA-N 0 0 447.585 5.877 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3C)oc2cc1C ZINC000002985795 555873992 /nfs/dbraw/zinc/87/39/92/555873992.db2.gz QQRKNOXKTFWIMG-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000002985462 555874009 /nfs/dbraw/zinc/87/40/09/555874009.db2.gz UWSGRABYRASREB-UHFFFAOYSA-N 0 0 447.560 5.245 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 ZINC000002985994 555874036 /nfs/dbraw/zinc/87/40/36/555874036.db2.gz XOIBSADPXHLMOD-UHFFFAOYSA-N 0 0 435.321 6.633 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000002985618 555874047 /nfs/dbraw/zinc/87/40/47/555874047.db2.gz JHKLSBRYKMSJQV-UHFFFAOYSA-N 0 0 431.517 5.410 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000002990511 555874857 /nfs/dbraw/zinc/87/48/57/555874857.db2.gz AEYAHIBCLIJOGR-NFJKTXFASA-N 0 0 444.328 5.020 50 0 IKAARN C/C=C/c1ccc(OCCOCCOc2ccc(Cl)cc2Br)c(OC)c1 ZINC000002991279 555875198 /nfs/dbraw/zinc/87/51/98/555875198.db2.gz UZLDJAVJHQQTDH-ONEGZZNKSA-N 0 0 441.749 5.619 50 0 IKAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1 ZINC000002995724 555875973 /nfs/dbraw/zinc/87/59/73/555875973.db2.gz UPCSUCVPZSORFW-BJMVGYQFSA-N 0 0 425.697 5.720 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000002994915 555875989 /nfs/dbraw/zinc/87/59/89/555875989.db2.gz JAZQPUZMXVACPX-UHFFFAOYSA-N 0 0 445.613 6.522 50 0 IKAARN COc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)c3ccccc3)c2)cs1 ZINC000002994942 555876061 /nfs/dbraw/zinc/87/60/61/555876061.db2.gz AGYRLUDRRAJRJT-UHFFFAOYSA-N 0 0 435.936 6.468 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OCc4ccccc4)c(C)c3oc2C(F)(F)F)cc1 ZINC000002996236 555876331 /nfs/dbraw/zinc/87/63/31/555876331.db2.gz UNVNLOHMLCZPSP-UHFFFAOYSA-N 0 0 440.417 6.375 50 0 IKAARN O=C(CCCCC(=O)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000002995985 555876353 /nfs/dbraw/zinc/87/63/53/555876353.db2.gz IODJGEICYXOUJV-UHFFFAOYSA-N 0 0 448.566 7.277 50 0 IKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000002997424 555876371 /nfs/dbraw/zinc/87/63/71/555876371.db2.gz XPBIZYPGRFCHOI-UHFFFAOYSA-N 0 0 425.579 5.243 50 0 IKAARN O=C(NCCOc1cccc(Cl)c1Cl)[C@@H](Cc1ccc(O)cc1)c1ccccc1 ZINC000002998093 555876601 /nfs/dbraw/zinc/87/66/01/555876601.db2.gz OENNGZXLKAPQTB-IBGZPJMESA-N 0 0 430.331 5.221 50 0 IKAARN CN(c1ccccc1)c1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000002997943 555876684 /nfs/dbraw/zinc/87/66/84/555876684.db2.gz QMIBCCNUJBEALX-KGENOOAVSA-N 0 0 433.305 5.562 50 0 IKAARN CCOc1cc(C(=O)Nc2c(C)cc(Br)cc2C)cc(OCC)c1OCC ZINC000002997985 555876698 /nfs/dbraw/zinc/87/66/98/555876698.db2.gz RKCYSQFXKRKSHV-UHFFFAOYSA-N 0 0 436.346 5.514 50 0 IKAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010546698 555876961 /nfs/dbraw/zinc/87/69/61/555876961.db2.gz IZSGIYOIVIIOCP-NRFANRHFSA-N 0 0 434.543 5.586 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 ZINC000002998511 555876968 /nfs/dbraw/zinc/87/69/68/555876968.db2.gz FPOZSRLDDFDDOD-UHFFFAOYSA-N 0 0 445.544 5.625 50 0 IKAARN Cc1sc2nc(SCc3cccc(C(F)(F)F)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000002999128 555877257 /nfs/dbraw/zinc/87/72/57/555877257.db2.gz VOYZNRMHLGQPQV-UHFFFAOYSA-N 0 0 446.519 6.375 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3)oc2c1 ZINC000003002695 555877955 /nfs/dbraw/zinc/87/79/55/555877955.db2.gz GLQXBOPFFFUADD-UHFFFAOYSA-N 0 0 437.524 6.083 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1F)Nc1ccc(Br)cc1-2 ZINC000003003128 555878150 /nfs/dbraw/zinc/87/81/50/555878150.db2.gz IZZMSTIQUFAGPF-MRXNPFEDSA-N 0 0 433.306 5.055 50 0 IKAARN C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000003003651 555878153 /nfs/dbraw/zinc/87/81/53/555878153.db2.gz AKDODZURICGQTB-KRWDZBQOSA-N 0 0 448.588 6.336 50 0 IKAARN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003004353 555878244 /nfs/dbraw/zinc/87/82/44/555878244.db2.gz GURYSMOAMNYRMQ-UHFFFAOYSA-N 0 0 429.516 5.451 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)c1 ZINC000034733934 555878446 /nfs/dbraw/zinc/87/84/46/555878446.db2.gz BDKAMOAWOZQWNF-UHFFFAOYSA-N 0 0 431.511 5.148 50 0 IKAARN C[C@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)COc3ccccc3)cc2)C1=O ZINC000034734209 555878752 /nfs/dbraw/zinc/87/87/52/555878752.db2.gz KPPDOUMEXIBWGK-HXUWFJFHSA-N 0 0 429.520 5.097 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3cccc(Cl)c3F)C2=O)cc1)c1ccccc1 ZINC000034734583 555879335 /nfs/dbraw/zinc/87/93/35/555879335.db2.gz AYCVTWQDXHHUPH-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012849 555879960 /nfs/dbraw/zinc/87/99/60/555879960.db2.gz HKFBHCHIJUOPSX-ZFWWWQNUSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012852 555879966 /nfs/dbraw/zinc/87/99/66/555879966.db2.gz HKFBHCHIJUOPSX-DZGCQCFKSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012863 555879968 /nfs/dbraw/zinc/87/99/68/555879968.db2.gz QXMAFEYIHKQMRE-UKRRQHHQSA-N 0 0 445.228 5.696 50 0 IKAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1Cl ZINC000003012893 555879971 /nfs/dbraw/zinc/87/99/71/555879971.db2.gz SJWWGBKWTLRJPC-CZUORRHYSA-N 0 0 440.809 5.051 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012848 555879983 /nfs/dbraw/zinc/87/99/83/555879983.db2.gz HKFBHCHIJUOPSX-HIFRSBDPSA-N 0 0 445.228 5.696 50 0 IKAARN C=CC(=O)Oc1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000003013898 555880321 /nfs/dbraw/zinc/88/03/21/555880321.db2.gz QJTYYEGQVVWHKZ-UHFFFAOYSA-N 0 0 431.058 5.192 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1Cl ZINC000003016986 555880948 /nfs/dbraw/zinc/88/09/48/555880948.db2.gz OUPMARCAGINUSW-UHFFFAOYSA-N 0 0 433.982 5.750 50 0 IKAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 ZINC000003017185 555880964 /nfs/dbraw/zinc/88/09/64/555880964.db2.gz WNDCXOYEYPRWQD-VGMNTSGFSA-N 0 0 429.542 5.279 50 0 IKAARN O=C(Nc1nnc(SC/C=C/c2ccccc2)s1)c1sc2ccccc2c1Cl ZINC000003016856 555880972 /nfs/dbraw/zinc/88/09/72/555880972.db2.gz LEWHEHWJPVGNMC-RMKNXTFCSA-N 0 0 444.006 6.464 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003019007 555881126 /nfs/dbraw/zinc/88/11/26/555881126.db2.gz HBQWZCZPPVPNGN-YXMGTMDOSA-N 0 0 439.553 5.898 50 0 IKAARN COc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O ZINC000034735029 555881176 /nfs/dbraw/zinc/88/11/76/555881176.db2.gz OFYYIMOHPICNRW-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2cccc(F)c2)C1=O)c1c(F)cccc1F ZINC000034734985 555881186 /nfs/dbraw/zinc/88/11/86/555881186.db2.gz XQOWGZYVJFCAOG-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000003024365 555881786 /nfs/dbraw/zinc/88/17/86/555881786.db2.gz CTGZSXAVSAOWGC-INIZCTEOSA-N 0 0 445.357 5.010 50 0 IKAARN COc1ccc(CC(=O)Nc2ccccc2N2CCCN([C@H](C)c3ccccc3)C2=O)cc1 ZINC000034735123 555882109 /nfs/dbraw/zinc/88/21/09/555882109.db2.gz JJJJSDRESIVOSV-HXUWFJFHSA-N 0 0 443.547 5.270 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(F)c3F)CC2)cc1 ZINC000034726116 555882154 /nfs/dbraw/zinc/88/21/54/555882154.db2.gz WUABZUHYFCZYRD-UHFFFAOYSA-N 0 0 449.545 5.286 50 0 IKAARN CCCN(Cc1ccccc1)C(=S)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000003057190 555883267 /nfs/dbraw/zinc/88/32/67/555883267.db2.gz XNEUGGPNCBOSRB-UHFFFAOYSA-N 0 0 434.561 5.523 50 0 IKAARN O=C(CSCC(=O)NC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc21 ZINC000003067852 555884506 /nfs/dbraw/zinc/88/45/06/555884506.db2.gz SCTUXUYLWODSHP-UHFFFAOYSA-N 0 0 440.568 5.417 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)c3ccccc3Cl)C2=O)c1 ZINC000034735258 555885139 /nfs/dbraw/zinc/88/51/39/555885139.db2.gz ZNQQMVPCKDPPHX-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1)c1c(F)cccc1F ZINC000034735287 555885182 /nfs/dbraw/zinc/88/51/82/555885182.db2.gz CHBGOUSUOALUMS-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN COc1ccc(CC(=O)Nc2cccc(N3CCCN(Cc4ccccc4C)C3=O)c2)cc1 ZINC000034735324 555885473 /nfs/dbraw/zinc/88/54/73/555885473.db2.gz FDXSIMBJMWCLKI-UHFFFAOYSA-N 0 0 443.547 5.017 50 0 IKAARN COc1ccccc1C(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(C)cc2)C1=O ZINC000034735852 555886058 /nfs/dbraw/zinc/88/60/58/555886058.db2.gz SWKBMEBXCSROKZ-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccccc3Cl)C2=O)c1 ZINC000034735876 555886158 /nfs/dbraw/zinc/88/61/58/555886158.db2.gz VYIMPWOGUVNMFF-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000034736004 555886395 /nfs/dbraw/zinc/88/63/95/555886395.db2.gz WWPNTGUBKHYVII-UHFFFAOYSA-N 0 0 449.501 5.287 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c(NC(=O)C2CC2)c1 ZINC000034736383 555886740 /nfs/dbraw/zinc/88/67/40/555886740.db2.gz HGWJJRDWMHUVLP-UHFFFAOYSA-N 0 0 447.457 5.074 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c(NC(=O)c2cccs2)c1 ZINC000034736511 555887002 /nfs/dbraw/zinc/88/70/02/555887002.db2.gz PRSMAMJLKBFNFJ-UHFFFAOYSA-N 0 0 447.604 6.265 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)C2=O)c1 ZINC000034736749 555887023 /nfs/dbraw/zinc/88/70/23/555887023.db2.gz LEMMFDDQFXEWIC-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccccc4F)cc3)C2=O)c(C)c1 ZINC000034736805 555887471 /nfs/dbraw/zinc/88/74/71/555887471.db2.gz FIDORQMARQHVEF-UHFFFAOYSA-N 0 0 445.538 5.836 50 0 IKAARN CC(C)c1ccc(NC(=O)Nc2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)cc1 ZINC000034737033 555887951 /nfs/dbraw/zinc/88/79/51/555887951.db2.gz YVOSXMKNTYOSOZ-UHFFFAOYSA-N 0 0 442.563 6.286 50 0 IKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2 ZINC000003107859 555887963 /nfs/dbraw/zinc/88/79/63/555887963.db2.gz FQDCNCJOURUKNF-HIFRSBDPSA-N 0 0 442.993 5.829 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)NCc2ccccc2)c1 ZINC000034737290 555888190 /nfs/dbraw/zinc/88/81/90/555888190.db2.gz NVBSJAVGQIENJE-UHFFFAOYSA-N 0 0 428.536 5.149 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)Nc4ccccc4)c3)C2=O)c1 ZINC000034737251 555888248 /nfs/dbraw/zinc/88/82/48/555888248.db2.gz BONXXAPYVBNDDJ-UHFFFAOYSA-N 0 0 428.536 5.780 50 0 IKAARN C[C@@H](c1ccccc1)N1CCCN(c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)C1=O ZINC000034737209 555888281 /nfs/dbraw/zinc/88/82/81/555888281.db2.gz NEKDRFHAJNQZQF-SFHVURJKSA-N 0 0 448.954 6.377 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CCCC2)C(C)(C)C)s1 ZINC000034738038 555888506 /nfs/dbraw/zinc/88/85/06/555888506.db2.gz UJKYZSSOBAXSRK-UHFFFAOYSA-N 0 0 444.616 5.542 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1 ZINC000003119545 555888784 /nfs/dbraw/zinc/88/87/84/555888784.db2.gz PBYFXGAEJREXHC-UHFFFAOYSA-N 0 0 427.957 5.728 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000003119933 555889062 /nfs/dbraw/zinc/88/90/62/555889062.db2.gz SVZKGHXUECJAEN-UHFFFAOYSA-N 0 0 432.159 6.600 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@H](Cc1ccccc1)C(F)(F)F ZINC000003120284 555889069 /nfs/dbraw/zinc/88/90/69/555889069.db2.gz ONYWXUAJEZIGMA-OAHLLOKOSA-N 0 0 444.236 6.287 50 0 IKAARN O=C(Oc1cc(Cl)cc(Cl)c1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000003119934 555889112 /nfs/dbraw/zinc/88/91/12/555889112.db2.gz MFIKIJZHMSOPKG-UHFFFAOYSA-N 0 0 433.143 6.567 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl ZINC000003121430 555889143 /nfs/dbraw/zinc/88/91/43/555889143.db2.gz ZYJRIPXKWRNNLE-OFAQMXQXSA-N 0 0 427.740 5.446 50 0 IKAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000003122742 555889305 /nfs/dbraw/zinc/88/93/05/555889305.db2.gz OBKHHKNEPFWLPK-ZDUSSCGKSA-N 0 0 431.216 5.019 50 0 IKAARN Cc1c2cc(Cl)ccc2sc1-c1csc(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000003126383 555889637 /nfs/dbraw/zinc/88/96/37/555889637.db2.gz FAWBDWPVVGMHTF-UHFFFAOYSA-N 0 0 445.318 7.721 50 0 IKAARN FC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)nc1 ZINC000003126373 555889645 /nfs/dbraw/zinc/88/96/45/555889645.db2.gz JOEHTMNLRPMAOZ-UHFFFAOYSA-N 0 0 442.249 6.853 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000003126715 555889657 /nfs/dbraw/zinc/88/96/57/555889657.db2.gz MWWMAEXVFBYRFW-UHFFFAOYSA-N 0 0 445.302 7.633 50 0 IKAARN O=C(NC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000003127558 555889885 /nfs/dbraw/zinc/88/98/85/555889885.db2.gz CQSGENRXJPKTHM-UHFFFAOYSA-N 0 0 435.789 5.508 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4cccc(C)c4)c(C)c3)cc2C)c1 ZINC000003127783 555889925 /nfs/dbraw/zinc/88/99/25/555889925.db2.gz KICAFNKPUXZZJJ-UHFFFAOYSA-N 0 0 448.566 7.092 50 0 IKAARN CCn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003128807 555889965 /nfs/dbraw/zinc/88/99/65/555889965.db2.gz OBAVQNMQMPQWPE-UHFFFAOYSA-N 0 0 431.953 6.102 50 0 IKAARN FC(F)(F)Oc1ccc(Oc2ccc(NC(=S)NC3CCCCCCC3)cc2)cc1 ZINC000003134163 555890495 /nfs/dbraw/zinc/89/04/95/555890495.db2.gz JJBQHWCBNVIRIU-UHFFFAOYSA-N 0 0 438.515 6.777 50 0 IKAARN O=C(NCCSCc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003131856 555890518 /nfs/dbraw/zinc/89/05/18/555890518.db2.gz ZUTBXWWAWYLTJY-UHFFFAOYSA-N 0 0 438.393 5.659 50 0 IKAARN COc1ccc(C(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000003132325 555890521 /nfs/dbraw/zinc/89/05/21/555890521.db2.gz IORFLHVWYXUJEP-UHFFFAOYSA-N 0 0 436.504 5.116 50 0 IKAARN CCOc1ccc([C@@H](OC(=O)c2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000003131095 555890557 /nfs/dbraw/zinc/89/05/57/555890557.db2.gz XVHYLHSHVOIPPH-OAHLLOKOSA-N 0 0 442.553 6.660 50 0 IKAARN O=C(COC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003131736 555890568 /nfs/dbraw/zinc/89/05/68/555890568.db2.gz UXNPERIKWXHBLC-UHFFFAOYSA-N 0 0 444.870 5.752 50 0 IKAARN COc1cc(OC)c(NC(=O)[C@H](Sc2ccc(Cl)cc2)c2ccccc2)cc1Cl ZINC000003135209 555890897 /nfs/dbraw/zinc/89/08/97/555890897.db2.gz MHLXGQHBAXVXOU-OAQYLSRUSA-N 0 0 448.371 6.483 50 0 IKAARN O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O ZINC000003144071 555891650 /nfs/dbraw/zinc/89/16/50/555891650.db2.gz MUNODORJNGQBCD-UHFFFAOYSA-N 0 0 434.451 5.112 50 0 IKAARN Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C ZINC000003161705 555893052 /nfs/dbraw/zinc/89/30/52/555893052.db2.gz QTWUTYCUJQJQCO-UHFFFAOYSA-N 0 0 440.370 7.019 50 0 IKAARN CCOc1ccc(/C=C\c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)cc1OC ZINC000034780371 555893677 /nfs/dbraw/zinc/89/36/77/555893677.db2.gz AHRCREYJSUBJCF-ZROIWOOFSA-N 0 0 445.946 7.045 50 0 IKAARN O=S(=O)(Oc1cc(Cl)cc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003170788 555893879 /nfs/dbraw/zinc/89/38/79/555893879.db2.gz DQHSIXVTNZLLJY-UHFFFAOYSA-N 0 0 439.160 5.799 50 0 IKAARN Clc1ccc(C2=NC(c3ccc(Cl)cc3)N=C(c3ccc(Cl)cc3)S2)cc1 ZINC000003179660 555894805 /nfs/dbraw/zinc/89/48/05/555894805.db2.gz BIGLOOODNNLLPT-UHFFFAOYSA-N 0 0 431.775 7.286 50 0 IKAARN Clc1ccc(C2=NC(c3ccc4c(c3)OCO4)N=C(c3ccc(Cl)cc3)S2)cc1 ZINC000003179650 555894895 /nfs/dbraw/zinc/89/48/95/555894895.db2.gz VBHAMJBLFPZLPH-UHFFFAOYSA-N 0 0 441.339 6.361 50 0 IKAARN Nc1c(NC(=O)NCCCc2ccccc2)c(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000034785208 555896019 /nfs/dbraw/zinc/89/60/19/555896019.db2.gz PLIAVXLUTZFWOM-UHFFFAOYSA-N 0 0 429.499 5.015 50 0 IKAARN Brc1ccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)o2)cc1 ZINC000003207896 555898673 /nfs/dbraw/zinc/89/86/73/555898673.db2.gz ZXUDJQHUXAOWCL-UHFFFAOYSA-N 0 0 445.360 6.735 50 0 IKAARN Cc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccc(F)cc4)c3C2)cc1 ZINC000034755488 555900440 /nfs/dbraw/zinc/90/04/40/555900440.db2.gz MBDXTYOUGLIIDA-UHFFFAOYSA-N 0 0 432.543 5.265 50 0 IKAARN Cc1ccc(F)c(CN2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755677 555900728 /nfs/dbraw/zinc/90/07/28/555900728.db2.gz OESDYZFVLYJFPK-UHFFFAOYSA-N 0 0 432.543 5.265 50 0 IKAARN Cc1cccc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000034759087 555903509 /nfs/dbraw/zinc/90/35/09/555903509.db2.gz LLQPCEUBZAHNES-UHFFFAOYSA-N 0 0 442.563 5.075 50 0 IKAARN CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2cc1OCc1ccccc1Cl ZINC000003251595 555909047 /nfs/dbraw/zinc/90/90/47/555909047.db2.gz SJCNCARZKVFRRK-UHFFFAOYSA-N 0 0 438.882 6.828 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)OCc3ccccc3)[C@@H](C)C1)=N2 ZINC000034812779 555909760 /nfs/dbraw/zinc/90/97/60/555909760.db2.gz IGXFVUJJSLIPPS-FQEVSTJZSA-N 0 0 441.531 5.522 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)OCc3ccccc3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034813640 555910427 /nfs/dbraw/zinc/91/04/27/555910427.db2.gz LQGDXQWJJUZODQ-FQEVSTJZSA-N 0 0 441.531 5.522 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2)cc1 ZINC000003258296 555910435 /nfs/dbraw/zinc/91/04/35/555910435.db2.gz VTYXYFXZLIFWNH-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3cccs3)[C@@H](C)C1)=N2 ZINC000034813775 555910594 /nfs/dbraw/zinc/91/05/94/555910594.db2.gz PEWFLMGLWYZGTO-SFHVURJKSA-N 0 0 431.561 5.395 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3cccs3)[C@H](C)C1)=N2 ZINC000034813774 555910617 /nfs/dbraw/zinc/91/06/17/555910617.db2.gz PEWFLMGLWYZGTO-GOSISDBHSA-N 0 0 431.561 5.395 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3ccccc3F)[C@@H](C)C1)=N2 ZINC000034813787 555910637 /nfs/dbraw/zinc/91/06/37/555910637.db2.gz NPKFSHBCFZEIGR-IBGZPJMESA-N 0 0 443.522 5.473 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3ccccc3F)[C@H](C)C1)=N2 ZINC000034813786 555910705 /nfs/dbraw/zinc/91/07/05/555910705.db2.gz NPKFSHBCFZEIGR-LJQANCHMSA-N 0 0 443.522 5.473 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3ccc(F)cc3F)CC1)=N2 ZINC000034813759 555910726 /nfs/dbraw/zinc/91/07/26/555910726.db2.gz DTHMFRCJEDMLFT-UHFFFAOYSA-N 0 0 447.485 5.224 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccc(C)cc43)C[C@@H]2C)cc1 ZINC000034814394 555910988 /nfs/dbraw/zinc/91/09/88/555910988.db2.gz UVXMKGACCPVPJJ-FQEVSTJZSA-N 0 0 440.547 5.726 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21)N1CCc2ccccc2C1 ZINC000034831687 555912638 /nfs/dbraw/zinc/91/26/38/555912638.db2.gz CVFTXSDYJVXBEZ-UHFFFAOYSA-N 0 0 430.511 5.262 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)C(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000034833074 555912898 /nfs/dbraw/zinc/91/28/98/555912898.db2.gz GNSRWFHOIPIIRK-QGZVFWFLSA-N 0 0 428.536 5.155 50 0 IKAARN CC(C)(C)c1cc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCc4ccccc4C3)n2n1 ZINC000034833371 555912905 /nfs/dbraw/zinc/91/29/05/555912905.db2.gz CDNMTDCFKKGDQK-UHFFFAOYSA-N 0 0 428.511 5.031 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n3nc(C(C)(C)C)cc3n2)c1 ZINC000034833574 555913260 /nfs/dbraw/zinc/91/32/60/555913260.db2.gz ULFJRXFFESUJQC-UHFFFAOYSA-N 0 0 428.536 5.572 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833714 555913298 /nfs/dbraw/zinc/91/32/98/555913298.db2.gz PBLMWURVNUWTNH-UHFFFAOYSA-N 0 0 442.881 6.108 50 0 IKAARN COc1cccc(-c2cc(C(=O)NC3CCCCC3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834006 555913525 /nfs/dbraw/zinc/91/35/25/555913525.db2.gz BRLPXJKVKMEINJ-UHFFFAOYSA-N 0 0 426.520 5.134 50 0 IKAARN CCCCCCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833787 555913571 /nfs/dbraw/zinc/91/35/71/555913571.db2.gz KXORHUCUSRIGCV-UHFFFAOYSA-N 0 0 432.955 6.027 50 0 IKAARN CCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794150 555917174 /nfs/dbraw/zinc/91/71/74/555917174.db2.gz CBEFMIJHRRHEFT-UHFFFAOYSA-N 0 0 433.430 5.318 50 0 IKAARN CC[C@@H](C(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1C1CCOCC1)c1ccccc1 ZINC000034793993 555917194 /nfs/dbraw/zinc/91/71/94/555917194.db2.gz VQUWNYSOIJKNNT-HXUWFJFHSA-N 0 0 449.551 5.120 50 0 IKAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000034796079 555917756 /nfs/dbraw/zinc/91/77/56/555917756.db2.gz CTVPBCZXASXCRU-UHFFFAOYSA-N 0 0 447.457 5.564 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000034796994 555918301 /nfs/dbraw/zinc/91/83/01/555918301.db2.gz OHVDHKYVSUEHOQ-HHHXNRCGSA-N 0 0 444.600 5.989 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000034796960 555918318 /nfs/dbraw/zinc/91/83/18/555918318.db2.gz KOXHDMHWXOUKAM-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000034796981 555918322 /nfs/dbraw/zinc/91/83/22/555918322.db2.gz UWZYKBFBQCBJHO-SANMLTNESA-N 0 0 430.573 5.978 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)c1 ZINC000034797021 555918332 /nfs/dbraw/zinc/91/83/32/555918332.db2.gz WJDIXNXBKNFKAV-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cc(C)cc(C)c3)cc2)cc1 ZINC000034796967 555918339 /nfs/dbraw/zinc/91/83/39/555918339.db2.gz UJSBMFZSUJYVSI-SANMLTNESA-N 0 0 446.572 5.272 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000034797008 555918357 /nfs/dbraw/zinc/91/83/57/555918357.db2.gz VSELYHDKMOIXET-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc([C@H]3SCC(=O)N3c3cc(C)cc(C)c3)cc2)cc1 ZINC000034796968 555918417 /nfs/dbraw/zinc/91/84/17/555918417.db2.gz UJSBMFZSUJYVSI-AREMUKBSSA-N 0 0 446.572 5.272 50 0 IKAARN O=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1 ZINC000034906510 555920403 /nfs/dbraw/zinc/92/04/03/555920403.db2.gz DHJYTVAFIGNRNP-UHFFFAOYSA-N 0 0 444.623 5.192 50 0 IKAARN CCCCCc1ccc(C(=O)NC2CCN(c3nc4ccccc4n3C(C)C)CC2)cc1 ZINC000034907148 555920550 /nfs/dbraw/zinc/92/05/50/555920550.db2.gz DNYQHIDZLPRBJK-UHFFFAOYSA-N 0 0 432.612 5.749 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1 ZINC000034906564 555920562 /nfs/dbraw/zinc/92/05/62/555920562.db2.gz RLQSXNGYSIPFAU-JOCHJYFZSA-N 0 0 448.586 5.289 50 0 IKAARN C[C@H](NC(=O)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1)c1ccccc1 ZINC000034906511 555920660 /nfs/dbraw/zinc/92/06/60/555920660.db2.gz XJLVEDBPABPTQW-NRFANRHFSA-N 0 0 444.623 5.710 50 0 IKAARN O=C(C1CCN(c2nc3ccccc3n2C2CCCCC2)CC1)N1CCc2ccccc2C1 ZINC000034906578 555920722 /nfs/dbraw/zinc/92/07/22/555920722.db2.gz DKYQBLIHFRUVHF-UHFFFAOYSA-N 0 0 442.607 5.343 50 0 IKAARN CCCCOc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907731 555920994 /nfs/dbraw/zinc/92/09/94/555920994.db2.gz VIUKUXOSZKNMGE-VWLOTQADSA-N 0 0 440.543 6.651 50 0 IKAARN CCCn1c2ccccc2nc1N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000034907177 555921036 /nfs/dbraw/zinc/92/10/36/555921036.db2.gz JWXQSRHAONMANQ-UHFFFAOYSA-N 0 0 431.367 5.152 50 0 IKAARN O=C(c1ccccc1Br)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907715 555921088 /nfs/dbraw/zinc/92/10/88/555921088.db2.gz QSPLELKGUSOHAH-OAQYLSRUSA-N 0 0 447.332 6.235 50 0 IKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000034907231 555921110 /nfs/dbraw/zinc/92/11/10/555921110.db2.gz MMPKWSOXZRZFMK-UHFFFAOYSA-N 0 0 445.489 5.427 50 0 IKAARN COc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccccc4Cl)nc3c2)c1 ZINC000034907942 555921247 /nfs/dbraw/zinc/92/12/47/555921247.db2.gz QOZFTNHCXFRCJE-QFIPXVFZSA-N 0 0 432.907 6.134 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)c(C)c4)ccc3o2)c1 ZINC000034908073 555921252 /nfs/dbraw/zinc/92/12/52/555921252.db2.gz GWWPXPODVOHJKD-HSZRJFAPSA-N 0 0 430.479 5.928 50 0 IKAARN O=C(CSc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908185 555921493 /nfs/dbraw/zinc/92/14/93/555921493.db2.gz PIJGMKDMVDOQAJ-QFIPXVFZSA-N 0 0 432.520 6.090 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Cc4ccccc4)nc3c2)cc1 ZINC000034908280 555921517 /nfs/dbraw/zinc/92/15/17/555921517.db2.gz SATAQZPBTRYBSS-DEOSSOPVSA-N 0 0 425.532 5.467 50 0 IKAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(N(C)C)cc4)ccc3o2)cc1 ZINC000034908284 555921552 /nfs/dbraw/zinc/92/15/52/555921552.db2.gz ONCAGLQCHPAYDX-XMMPIXPASA-N 0 0 425.532 5.847 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccccc4Cl)nc3c2)cc1 ZINC000034908278 555921596 /nfs/dbraw/zinc/92/15/96/555921596.db2.gz NKUGKOVOHZRQSO-QHCPKHFHSA-N 0 0 445.950 6.192 50 0 IKAARN O=C(c1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908342 555921818 /nfs/dbraw/zinc/92/18/18/555921818.db2.gz SNIAXTNHXXSHSV-OAQYLSRUSA-N 0 0 436.433 6.491 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908471 555921842 /nfs/dbraw/zinc/92/18/42/555921842.db2.gz RGVNNHDVFGLVKL-NRFANRHFSA-N 0 0 435.886 6.656 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)Cc4ccc(F)cc4)nc3c2)cc1 ZINC000034908335 555921885 /nfs/dbraw/zinc/92/18/85/555921885.db2.gz LTJVUMAZLIGROY-XMMPIXPASA-N 0 0 443.522 5.606 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908544 555921891 /nfs/dbraw/zinc/92/18/91/555921891.db2.gz JCPKJWWCZZCBPX-NRFANRHFSA-N 0 0 437.421 6.281 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034908523 555921914 /nfs/dbraw/zinc/92/19/14/555921914.db2.gz IHANNKYQWFFWQI-DEOSSOPVSA-N 0 0 425.532 6.987 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908498 555921934 /nfs/dbraw/zinc/92/19/34/555921934.db2.gz GUCJOTKTKDTUEA-JOCHJYFZSA-N 0 0 445.494 6.402 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4OC)ccc3o2)cc1 ZINC000034908448 555921938 /nfs/dbraw/zinc/92/19/38/555921938.db2.gz MPSNKLMUMXUVGN-HSZRJFAPSA-N 0 0 426.516 6.043 50 0 IKAARN O=C(NC1CCCCC1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908653 555922076 /nfs/dbraw/zinc/92/20/76/555922076.db2.gz KKHIQWQEPPMUIJ-OAQYLSRUSA-N 0 0 425.479 5.952 50 0 IKAARN COc1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Nc4ccccc4F)nc3c2)cc1 ZINC000034908616 555922080 /nfs/dbraw/zinc/92/20/80/555922080.db2.gz UZSARGFRUVVSJD-QFIPXVFZSA-N 0 0 431.467 6.012 50 0 IKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908791 555922386 /nfs/dbraw/zinc/92/23/86/555922386.db2.gz COFRIZKWURQCRM-QFIPXVFZSA-N 0 0 429.495 6.620 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908746 555922423 /nfs/dbraw/zinc/92/24/23/555922423.db2.gz OPRUYJIAZJJKTA-JOCHJYFZSA-N 0 0 433.458 6.450 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908747 555922482 /nfs/dbraw/zinc/92/24/82/555922482.db2.gz OPRUYJIAZJJKTA-QFIPXVFZSA-N 0 0 433.458 6.450 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908798 555922489 /nfs/dbraw/zinc/92/24/89/555922489.db2.gz QTXHOTQDPLYNIZ-XMMPIXPASA-N 0 0 443.522 7.126 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3F)nc2c1 ZINC000034908957 555922643 /nfs/dbraw/zinc/92/26/43/555922643.db2.gz JSQDFKFKHLYXQP-OAQYLSRUSA-N 0 0 449.457 6.151 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(N(C)C)cc4)ccc3o2)cc1 ZINC000034908846 555922702 /nfs/dbraw/zinc/92/27/02/555922702.db2.gz WAPNQVQSXNUIDM-XMMPIXPASA-N 0 0 440.547 6.238 50 0 IKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4S(=O)(=O)c4ccccc4)nc3c2)ccc1F ZINC000034909109 555923072 /nfs/dbraw/zinc/92/30/72/555923072.db2.gz IZZVUHWTNPGQTQ-JOCHJYFZSA-N 0 0 436.508 5.468 50 0 IKAARN Cc1ccccc1-n1nc(C(=O)N[C@@H]2CCCc3ccccc32)nc1CCc1ccccc1 ZINC000034911850 555923575 /nfs/dbraw/zinc/92/35/75/555923575.db2.gz OFHOSJLBJGNBSP-XMMPIXPASA-N 0 0 436.559 5.168 50 0 IKAARN Cc1ccc(-n2nc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)nc2-c2ccoc2)cc1 ZINC000034911252 555923668 /nfs/dbraw/zinc/92/36/68/555923668.db2.gz LTKDZUCTAOLVQB-RUZDIDTESA-N 0 0 448.526 5.550 50 0 IKAARN Cc1cccc(-n2nc(C(=O)NCCc3ccc(Cl)cc3Cl)nc2-c2ccco2)c1 ZINC000034911482 555923670 /nfs/dbraw/zinc/92/36/70/555923670.db2.gz FVLAYZGYUHAZGI-UHFFFAOYSA-N 0 0 441.318 5.115 50 0 IKAARN CC(C)(C)CC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)Cc1ccco1 ZINC000034863828 555925537 /nfs/dbraw/zinc/92/55/37/555925537.db2.gz LXVBYLWZLJYFJL-UHFFFAOYSA-N 0 0 438.593 5.335 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@H](c1ccc(F)cc1)C2 ZINC000034898457 555927888 /nfs/dbraw/zinc/92/78/88/555927888.db2.gz OCWRMHKCFZQGLR-UKILVPOCSA-N 0 0 439.534 5.466 50 0 IKAARN CCCCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899091 555928493 /nfs/dbraw/zinc/92/84/93/555928493.db2.gz ULWUMNZBNQWHRD-GFCCVEGCSA-N 0 0 433.396 5.181 50 0 IKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)Nc3cccc(C(F)(F)F)c3)n2c1 ZINC000034915121 555929996 /nfs/dbraw/zinc/92/99/96/555929996.db2.gz RZEWRHRFZGNPCD-UHFFFAOYSA-N 0 0 444.844 6.626 50 0 IKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000034915648 555930236 /nfs/dbraw/zinc/93/02/36/555930236.db2.gz AROQEWQYWKHDEL-UHFFFAOYSA-N 0 0 445.469 5.059 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 ZINC000034916935 555930591 /nfs/dbraw/zinc/93/05/91/555930591.db2.gz MKDIGLATXGAPMS-AWEZNQCLSA-N 0 0 444.375 5.020 50 0 IKAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)CCC2CCCC2)cc1 ZINC000034921452 555931808 /nfs/dbraw/zinc/93/18/08/555931808.db2.gz BCGCRZHJEIZOLQ-UHFFFAOYSA-N 0 0 447.572 5.053 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)CCc2ccccc2)ccc1N(C)C)C(=O)c1ccco1 ZINC000034921512 555931864 /nfs/dbraw/zinc/93/18/64/555931864.db2.gz JKGBGZVYJAXSHQ-UHFFFAOYSA-N 0 0 447.579 5.215 50 0 IKAARN CN(C)c1ccc(NC(=O)C(C)(C)C)cc1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000034921537 555932074 /nfs/dbraw/zinc/93/20/74/555932074.db2.gz IFJHZXCMRLCGNQ-UHFFFAOYSA-N 0 0 439.581 5.234 50 0 IKAARN CCCN(Cc1cc(NC(=O)Cc2cccs2)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921632 555932135 /nfs/dbraw/zinc/93/21/35/555932135.db2.gz JXWCQXYZGZNHSW-UHFFFAOYSA-N 0 0 429.630 5.170 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Nc3ccc(SC)cc3)no2)cc1 ZINC000034922360 555932592 /nfs/dbraw/zinc/93/25/92/555932592.db2.gz XYQVOONJVMHCAQ-UHFFFAOYSA-N 0 0 449.532 5.899 50 0 IKAARN COc1cccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)Cc3cccs3)no2)c1 ZINC000034922280 555932680 /nfs/dbraw/zinc/93/26/80/555932680.db2.gz JSFGGLXXADEDFV-UHFFFAOYSA-N 0 0 436.508 5.322 50 0 IKAARN O=C(c1cccc2ccccc21)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000034924413 555933277 /nfs/dbraw/zinc/93/32/77/555933277.db2.gz QTJLBQIBRSRMSG-UHFFFAOYSA-N 0 0 436.964 5.206 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000034912768 555934483 /nfs/dbraw/zinc/93/44/83/555934483.db2.gz FCUBYULOWNUXBX-UHFFFAOYSA-N 0 0 426.303 5.877 50 0 IKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3cccc(C(F)(F)F)c3)n2c1 ZINC000034913195 555934503 /nfs/dbraw/zinc/93/45/03/555934503.db2.gz ADRIEUYFIGBHCH-UHFFFAOYSA-N 0 0 429.829 6.234 50 0 IKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1ccc(Br)cc1 ZINC000034912674 555934521 /nfs/dbraw/zinc/93/45/21/555934521.db2.gz AFZKBVNJPNPYSR-UHFFFAOYSA-N 0 0 436.309 5.333 50 0 IKAARN COc1ccccc1Nc1nc(-c2c(C)onc2-c2ccc(Cl)cc2Cl)cs1 ZINC000003467414 555935972 /nfs/dbraw/zinc/93/59/72/555935972.db2.gz JKAZENOFOZTRGG-UHFFFAOYSA-N 0 0 432.332 6.833 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccccc1SCc1ncc(C(F)(F)F)cc1Cl ZINC000003467341 555935987 /nfs/dbraw/zinc/93/59/87/555935987.db2.gz XGLHEYBIHQXVFM-UHFFFAOYSA-N 0 0 437.874 6.690 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2ccccc2C(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000003467029 555936007 /nfs/dbraw/zinc/93/60/07/555936007.db2.gz SVEQQWOKSJIXTJ-VXKWHMMOSA-N 0 0 428.576 5.902 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000003602439 555940397 /nfs/dbraw/zinc/94/03/97/555940397.db2.gz CMEGDMBHSSKQKY-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000003615491 555941162 /nfs/dbraw/zinc/94/11/62/555941162.db2.gz PQAYCXMQTUEDRD-HHHXNRCGSA-N 0 0 439.559 5.672 50 0 in-vitro IKAARN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000003615495 555941180 /nfs/dbraw/zinc/94/11/80/555941180.db2.gz PQAYCXMQTUEDRD-MHZLTWQESA-N 0 0 439.559 5.672 50 0 in-vitro IKAARN Cc1nc2nc(SCc3ccc(F)cc3Cl)nn2c(C)c1Cc1cccc(Cl)c1 ZINC000003638111 555942734 /nfs/dbraw/zinc/94/27/34/555942734.db2.gz BWTNOPLYLAZRLR-UHFFFAOYSA-N 0 0 447.366 6.070 50 0 IKAARN Cc1ccc(C)c(CSc2nc3nc(C)c(Cc4c(F)cccc4Cl)c(C)n3n2)c1 ZINC000003638260 555942771 /nfs/dbraw/zinc/94/27/71/555942771.db2.gz JXCRKZUMZDRDMW-UHFFFAOYSA-N 0 0 440.975 6.034 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000003653251 555943979 /nfs/dbraw/zinc/94/39/79/555943979.db2.gz ACLAFIRPRAJAKM-JOCHJYFZSA-N 0 0 438.528 5.404 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@H](/C=C/c2ccco2)Nc2ccccc2-3)cc1 ZINC000003653335 555943983 /nfs/dbraw/zinc/94/39/83/555943983.db2.gz MMFZNGNWMWKGIM-YVNCXZRQSA-N 0 0 448.935 5.921 50 0 IKAARN CCCCc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1ccc(Br)cc1)N2 ZINC000003672753 555945728 /nfs/dbraw/zinc/94/57/28/555945728.db2.gz NMIDGHGSVHONLN-VXKWHMMOSA-N 0 0 430.386 6.589 50 0 IKAARN COc1ccc(Br)cc1CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000003672749 555945752 /nfs/dbraw/zinc/94/57/52/555945752.db2.gz QDKWTBCVBBSEBA-UHFFFAOYSA-N 0 0 439.378 6.655 50 0 IKAARN O=C1S/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000003764453 555946013 /nfs/dbraw/zinc/94/60/13/555946013.db2.gz JQGSJXZVGMLYND-YBFXNURJSA-N 0 0 430.312 6.490 50 0 IKAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)c1C ZINC000003770813 555946366 /nfs/dbraw/zinc/94/63/66/555946366.db2.gz UKFNUZOEUDTULO-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)c1C ZINC000003770807 555946382 /nfs/dbraw/zinc/94/63/82/555946382.db2.gz YKGJSFLTZVSWAX-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000003772531 555946597 /nfs/dbraw/zinc/94/65/97/555946597.db2.gz AFWZILCRDPFVFI-UHFFFAOYSA-N 0 0 430.339 5.550 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000003861169 555949225 /nfs/dbraw/zinc/94/92/25/555949225.db2.gz XUGISPSHIFXEHZ-VEVYEIKRSA-N 0 0 428.701 7.960 50 0 endogenous,in-man IKAARN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000003871494 555949949 /nfs/dbraw/zinc/94/99/49/555949949.db2.gz GVJHHUAWPYXKBD-KERYWQKISA-N 0 0 430.717 8.840 50 0 in-man IKAARN O=c1c(Cc2ccccc2)c([O-])[n+](-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000003958141 555951894 /nfs/dbraw/zinc/95/18/94/555951894.db2.gz WBXRESUGEPIIQW-UHFFFAOYSA-O 0 0 431.515 5.078 50 0 IKAARN Cc1ccc([C@@H](Nc2ccccc2)c2nnnn2C(c2ccccc2)c2ccccc2)s1 ZINC000004017651 555952899 /nfs/dbraw/zinc/95/28/99/555952899.db2.gz DHXYYAHDMGRRAV-XMMPIXPASA-N 0 0 437.572 5.882 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004015735 555952906 /nfs/dbraw/zinc/95/29/06/555952906.db2.gz JJVBJLMZEODYAW-UHFFFAOYSA-N 0 0 438.955 5.756 50 0 IKAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 ZINC000004109326 555963512 /nfs/dbraw/zinc/96/35/12/555963512.db2.gz PMZPXWIWNLLLIZ-ITSWEJNFSA-N 0 0 435.520 5.113 50 0 biogenic IKAARN CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 ZINC000004113525 555963708 /nfs/dbraw/zinc/96/37/08/555963708.db2.gz OTACMHOUNMFWRD-XMMPIXPASA-N 0 0 434.536 5.017 50 0 IKAARN CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000004141551 555967926 /nfs/dbraw/zinc/96/79/26/555967926.db2.gz SLBKHXVFFDZUIS-VWQFJMCTSA-N 0 0 434.536 5.015 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 ZINC000004163404 555970540 /nfs/dbraw/zinc/97/05/40/555970540.db2.gz DKNPZRUGYWSHSX-JSNMRZPZSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 ZINC000004163453 555970545 /nfs/dbraw/zinc/97/05/45/555970545.db2.gz ZCLHYOSGLYGZBR-DJKXOVBDSA-N 0 0 444.457 5.157 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 ZINC000004174576 555973100 /nfs/dbraw/zinc/97/31/00/555973100.db2.gz KJORDJNCXCUSDH-WPSZSDGUSA-N 0 0 433.548 5.722 50 0 biogenic IKAARN CCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004428157 555994259 /nfs/dbraw/zinc/99/42/59/555994259.db2.gz VEMJGRFWVFUERV-IWJYVYHMSA-N 0 0 432.564 5.039 50 0 IKAARN Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000004438668 555994948 /nfs/dbraw/zinc/99/49/48/555994948.db2.gz DYQPOYYKSDGXFL-MRXNPFEDSA-N 0 0 426.651 6.407 50 0 IKAARN COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1-c1ccccc1C)c(C)n2C ZINC000004497818 555998063 /nfs/dbraw/zinc/99/80/63/555998063.db2.gz ZWHCDAUOYCJWSY-JQIJEIRASA-N 0 0 435.527 5.673 50 0 biogenic IKAARN CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC ZINC000004521897 555999281 /nfs/dbraw/zinc/99/92/81/555999281.db2.gz PJHKBYALYHRYSK-UHFFFAOYSA-N 0 0 428.610 5.896 50 0 investigational IKAARN O=C(C[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531613 555999539 /nfs/dbraw/zinc/99/95/39/555999539.db2.gz FIGZYBNHRIZPHX-OALUTQOASA-N 0 0 437.794 7.543 50 0 IKAARN O=C(C[C@H](c1ccc(Br)cc1)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531610 555999624 /nfs/dbraw/zinc/99/96/24/555999624.db2.gz BYDVZMZJQQWBQV-LEWJYISDSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@@H](c1cccc(Br)c1)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531630 555999865 /nfs/dbraw/zinc/99/98/65/555999865.db2.gz OEYRDILRYYMBQV-RTWAWAEBSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@@H](c1ccc(Br)cc1)[C@@H]1CCCCCCC1=O)c1ccccc1Cl ZINC000004531634 555999906 /nfs/dbraw/zinc/99/99/06/555999906.db2.gz OONLQIVENUSPJG-ICSRJNTNSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CCCCCCC1=O)c1cccc(Cl)c1 ZINC000004531626 555999970 /nfs/dbraw/zinc/99/99/70/555999970.db2.gz JNXAWFVKNDYXBE-VQTJNVASSA-N 0 0 437.794 7.543 50 0 IKAARN CCC(c1c(C)n(C)n(-c2ccccc2)c1=S)c1c(C)n(C)n(-c2ccccc2)c1=S ZINC000004551905 556000892 /nfs/dbraw/zinc/00/08/92/556000892.db2.gz YPFLXGNONKANMW-UHFFFAOYSA-N 0 0 448.661 6.563 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CC13CC4CC(CC(C4)C1)C3)C[C@H](CC)CC2 ZINC000004651305 556005282 /nfs/dbraw/zinc/00/52/82/556005282.db2.gz NTIJTZCGNMAUBY-SIGOSDGXSA-N 0 0 429.626 5.985 50 0 IKAARN COc1ccc([C@@H](NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2)cc1 ZINC000004667896 556005666 /nfs/dbraw/zinc/00/56/66/556005666.db2.gz WHBMMYZJHAPOLC-SANMLTNESA-N 0 0 429.604 6.810 50 0 IKAARN O=C1c2ccccc2[C@](O)(c2ccccc2)N1CCOc1ccc(C2CCCCC2)cc1 ZINC000004694430 556006702 /nfs/dbraw/zinc/00/67/02/556006702.db2.gz XETDZUGBNUKSNB-MUUNZHRXSA-N 0 0 427.544 5.463 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)OCC(C)(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004761584 556010244 /nfs/dbraw/zinc/01/02/44/556010244.db2.gz NPASLDCUZMQKAT-UHFFFAOYSA-N 0 0 426.601 5.644 50 0 IKAARN CCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Br)cc1 ZINC000004767998 556010840 /nfs/dbraw/zinc/01/08/40/556010840.db2.gz XGKWZFUPQYYRKA-FQEVSTJZSA-N 0 0 440.341 5.431 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2Cl)c(C)c1 ZINC000004768023 556010909 /nfs/dbraw/zinc/01/09/09/556010909.db2.gz RNNLUXYGFGJPBC-XMMPIXPASA-N 0 0 442.950 6.234 50 0 IKAARN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000004828184 556014075 /nfs/dbraw/zinc/01/40/75/556014075.db2.gz XYJUBXQNPJCOJU-SVBPBHIXSA-N 0 0 425.528 5.912 50 0 IKAARN Cc1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)nn1Cc1ccc(Cl)cc1 ZINC000004881328 556017620 /nfs/dbraw/zinc/01/76/20/556017620.db2.gz WPVLCZMONZCISA-INIZCTEOSA-N 0 0 426.948 5.285 50 0 IKAARN Cc1c(C(=O)OC2CCCCCCC2)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911285 556020609 /nfs/dbraw/zinc/02/06/09/556020609.db2.gz ZRWNPVVAJHMMGW-HXUWFJFHSA-N 0 0 435.608 6.803 50 0 IKAARN COC(C)(C)[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911216 556020612 /nfs/dbraw/zinc/02/06/12/556020612.db2.gz MUICXTJRJWBWTP-WMZOPIPTSA-N 0 0 425.569 5.504 50 0 IKAARN COC(C)(C)[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911224 556020622 /nfs/dbraw/zinc/02/06/22/556020622.db2.gz MUICXTJRJWBWTP-FUHWJXTLSA-N 0 0 425.569 5.504 50 0 IKAARN CC(C)(C)c1cc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)cc(C(C)(C)C)c1 ZINC000005054959 556030265 /nfs/dbraw/zinc/03/02/65/556030265.db2.gz CUILLMNGEHIYTP-UHFFFAOYSA-N 0 0 425.001 6.768 50 0 IKAARN CC(C)(C)c1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(C(C)(C)C)c1O ZINC000005069655 556031006 /nfs/dbraw/zinc/03/10/06/556031006.db2.gz VMIXFKHIBKZRNB-AREMUKBSSA-N 0 0 426.604 7.343 50 0 IKAARN CC(C)(C)c1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(C(C)(C)C)c1O ZINC000005069651 556031038 /nfs/dbraw/zinc/03/10/38/556031038.db2.gz VMIXFKHIBKZRNB-SANMLTNESA-N 0 0 426.604 7.343 50 0 IKAARN COc1ccc(C2(CNC(=O)CC(c3ccccc3)c3ccccc3)CCOCC2)cc1 ZINC000005063974 556031073 /nfs/dbraw/zinc/03/10/73/556031073.db2.gz FUYNPFLBLWKBQJ-UHFFFAOYSA-N 0 0 429.560 5.082 50 0 IKAARN c1ccc(-c2nc3sc(-c4ccccc4)c(-c4ccccc4)n3c2-c2ccccc2)cc1 ZINC000005313465 556044754 /nfs/dbraw/zinc/04/47/54/556044754.db2.gz WQLWWXSDCCYORW-UHFFFAOYSA-N 0 0 428.560 8.064 50 0 IKAARN C/C=C/C(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005494768 556056500 /nfs/dbraw/zinc/05/65/00/556056500.db2.gz TYXQYVQJRVQZHC-MMXQCWNLSA-N 0 0 425.528 5.089 50 0 IKAARN 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 ZINC000005917531 556069232 /nfs/dbraw/zinc/06/92/32/556069232.db2.gz UXGWFWJQNSRBBQ-WEWYUDEPSA-N 0 0 426.685 7.895 50 0 IKAARN CCCCn1c2ccccc2nc1NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000006023430 556072439 /nfs/dbraw/zinc/07/24/39/556072439.db2.gz IFTQTIBCRQQXMJ-UHFFFAOYSA-N 0 0 448.592 5.558 50 0 IKAARN C[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)c32)C1 ZINC000006016752 556072487 /nfs/dbraw/zinc/07/24/87/556072487.db2.gz LJPYWLWMNLKAKI-MRVPVSSYSA-N 0 0 430.904 5.907 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000006056304 556073181 /nfs/dbraw/zinc/07/31/81/556073181.db2.gz AHMNNHBCNDCXPG-ATVHPVEESA-N 0 0 437.499 5.402 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 ZINC000006059802 556073254 /nfs/dbraw/zinc/07/32/54/556073254.db2.gz ABTZYGAATWMHJB-QGZVFWFLSA-N 0 0 433.573 6.635 50 0 IKAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2ccccn2)cc1 ZINC000006244538 556082232 /nfs/dbraw/zinc/08/22/32/556082232.db2.gz HUFOBPILAZTOQT-ZEQRLZLVSA-N 0 0 432.570 5.410 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)c(C)c1 ZINC000006246406 556082923 /nfs/dbraw/zinc/08/29/23/556082923.db2.gz DVUUWOBFSOOLEC-UHFFFAOYSA-N 0 0 427.552 5.444 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1Cl ZINC000006280520 556083622 /nfs/dbraw/zinc/08/36/22/556083622.db2.gz CUUBADKAJCXIGX-UHFFFAOYSA-N 0 0 441.000 6.008 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000002342475 556084918 /nfs/dbraw/zinc/08/49/18/556084918.db2.gz NEOWNVOKHYHUCA-UHFFFAOYSA-N 0 0 426.651 6.252 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)cc1 ZINC000006386075 556086236 /nfs/dbraw/zinc/08/62/36/556086236.db2.gz FRVYQLNHIQANBG-UHFFFAOYSA-N 0 0 431.879 5.379 50 0 IKAARN CC[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)c1ccccc1 ZINC000006390248 556086242 /nfs/dbraw/zinc/08/62/42/556086242.db2.gz ZGAQFJOJMDSAJC-NRFANRHFSA-N 0 0 446.348 5.940 50 0 IKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000006395258 556086618 /nfs/dbraw/zinc/08/66/18/556086618.db2.gz KMMYYVYEERLYMJ-UHFFFAOYSA-N 0 0 447.332 5.849 50 0 IKAARN CC(C)c1ccc(N[C@@H](c2ccc(Br)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000006427652 556086983 /nfs/dbraw/zinc/08/69/83/556086983.db2.gz UEIQKGORCSFFPI-YJBDGANESA-N 0 0 438.302 6.702 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)cc1OC ZINC000006427582 556086999 /nfs/dbraw/zinc/08/69/99/556086999.db2.gz JTDXCWLTENYJNI-HNNXBMFYSA-N 0 0 447.922 5.458 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1-c1ccccc1 ZINC000006443214 556087619 /nfs/dbraw/zinc/08/76/19/556087619.db2.gz ILRHBAZZZFLZCJ-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000006457102 556088888 /nfs/dbraw/zinc/08/88/88/556088888.db2.gz OYHFXIUJXZBUQY-UHFFFAOYSA-N 0 0 444.332 5.800 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccncc2)nc2c(Cl)cccc12 ZINC000006457161 556088904 /nfs/dbraw/zinc/08/89/04/556088904.db2.gz JZYQOVGPGDQPKA-UHFFFAOYSA-N 0 0 427.813 6.221 50 0 IKAARN CCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000006471520 556090302 /nfs/dbraw/zinc/09/03/02/556090302.db2.gz TYDDVCRBJULCPG-JOCHJYFZSA-N 0 0 429.358 5.204 50 0 IKAARN CCCC1CCC(C2CCC(C(=O)OCC(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000006471627 556090396 /nfs/dbraw/zinc/09/03/96/556090396.db2.gz NXERWZCNTOWXNQ-UHFFFAOYSA-N 0 0 449.429 6.588 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000006480847 556091033 /nfs/dbraw/zinc/09/10/33/556091033.db2.gz HQRFZAVRCLDMMK-UHFFFAOYSA-N 0 0 428.557 6.908 50 0 IKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2cccc(OCc3cscn3)c2)n1 ZINC000010579509 556094546 /nfs/dbraw/zinc/09/45/46/556094546.db2.gz DKKJSNIRYDOSDZ-UHFFFAOYSA-N 0 0 437.546 5.415 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 ZINC000006599753 556096461 /nfs/dbraw/zinc/09/64/61/556096461.db2.gz XTCMTLGCLKRNRS-UHFFFAOYSA-N 0 0 429.925 5.969 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000006631296 556099254 /nfs/dbraw/zinc/09/92/54/556099254.db2.gz IKEWPKGVNUSTSQ-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723128 556102290 /nfs/dbraw/zinc/10/22/90/556102290.db2.gz ZSDMWDKACPDSLG-UHFFFAOYSA-N 0 0 429.630 5.487 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3cccc4ccccc43)nc(-c3ccccc3)nc12 ZINC000006860542 556106741 /nfs/dbraw/zinc/10/67/41/556106741.db2.gz NIWGTDWQBQNFKO-UHFFFAOYSA-N 0 0 449.579 6.743 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3cccc(C)c3C)nc(-c3ccccc3)nc12 ZINC000006860537 556106865 /nfs/dbraw/zinc/10/68/65/556106865.db2.gz QFTCJFWSIRWCDZ-UHFFFAOYSA-N 0 0 427.573 6.207 50 0 IKAARN COc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000006924895 556110868 /nfs/dbraw/zinc/11/08/68/556110868.db2.gz MDMQPGTXAQYNIG-NRFANRHFSA-N 0 0 431.750 7.011 50 0 IKAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1cccc(Cl)c1Cl ZINC000006974291 556112284 /nfs/dbraw/zinc/11/22/84/556112284.db2.gz CPLVBZKRRQDHIR-UHFFFAOYSA-N 0 0 448.162 5.816 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4)cc2-3)cc1 ZINC000002688708 556119291 /nfs/dbraw/zinc/11/92/91/556119291.db2.gz WABCCFOYBROPBK-UHFFFAOYSA-N 0 0 439.515 5.667 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccc(F)cc1 ZINC000002688360 556119372 /nfs/dbraw/zinc/11/93/72/556119372.db2.gz UKRAYHFFAZUEOF-UHFFFAOYSA-N 0 0 443.503 5.710 50 0 IKAARN Cc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCCO4)c1 ZINC000002690111 556119951 /nfs/dbraw/zinc/11/99/51/556119951.db2.gz ORYGQEHHNCYAOU-UHFFFAOYSA-N 0 0 425.463 5.470 50 0 IKAARN COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC ZINC000002691929 556120309 /nfs/dbraw/zinc/12/03/09/556120309.db2.gz HTORCXIJKSGKAS-UHFFFAOYSA-N 0 0 447.897 6.061 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1cccc(F)c1 ZINC000002692204 556120484 /nfs/dbraw/zinc/12/04/84/556120484.db2.gz MTOQDWDFXRIYEP-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN O=C(c1ccccc1)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002692657 556120602 /nfs/dbraw/zinc/12/06/02/556120602.db2.gz SZXNWEHKSLRVIS-UHFFFAOYSA-N 0 0 425.868 5.091 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)c1 ZINC000002694379 556121159 /nfs/dbraw/zinc/12/11/59/556121159.db2.gz HOAYSLKRPMPWQD-UHFFFAOYSA-N 0 0 433.437 5.618 50 0 IKAARN COc1ccccc1CNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc21 ZINC000002694366 556121178 /nfs/dbraw/zinc/12/11/78/556121178.db2.gz SEHVOVSJACGYMB-UHFFFAOYSA-N 0 0 449.436 5.584 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Oc1ccc2oc(=O)sc2c1-c1ccc(Cl)cc1 ZINC000002696635 556121426 /nfs/dbraw/zinc/12/14/26/556121426.db2.gz FIRDZTOKWMVFMF-UHFFFAOYSA-N 0 0 447.295 5.813 50 0 IKAARN COc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)COc2ccc(Cl)cc2)cc1 ZINC000002696632 556121452 /nfs/dbraw/zinc/12/14/52/556121452.db2.gz MQTULXMJQABYFO-UHFFFAOYSA-N 0 0 442.876 5.168 50 0 IKAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C(C)C)cc1)cn2Cc1ccccc1 ZINC000002699196 556121694 /nfs/dbraw/zinc/12/16/94/556121694.db2.gz QOIVCRLGGBZXAX-UHFFFAOYSA-N 0 0 447.556 5.015 50 0 IKAARN Fc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCCO4)c1 ZINC000002690588 556121783 /nfs/dbraw/zinc/12/17/83/556121783.db2.gz BUNYFJROGMIEBW-UHFFFAOYSA-N 0 0 445.881 5.815 50 0 IKAARN COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC ZINC000002691332 556122078 /nfs/dbraw/zinc/12/20/78/556122078.db2.gz JJNMZCKNDACLSN-UHFFFAOYSA-N 0 0 431.442 5.547 50 0 IKAARN Cc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c1C2 ZINC000002713120 556122423 /nfs/dbraw/zinc/12/24/23/556122423.db2.gz PHTBXIBDCPLBFO-UHFFFAOYSA-N 0 0 439.540 5.879 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002702756 556122646 /nfs/dbraw/zinc/12/26/46/556122646.db2.gz HBXXXYKCQOATAN-HXUWFJFHSA-N 0 0 432.501 5.178 50 0 IKAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000002703481 556123004 /nfs/dbraw/zinc/12/30/04/556123004.db2.gz DRVXKGJMXMKWIM-QHCPKHFHSA-N 0 0 426.472 5.117 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002703891 556123021 /nfs/dbraw/zinc/12/30/21/556123021.db2.gz PRKLOAIORZBWOP-NRFANRHFSA-N 0 0 446.528 5.405 50 0 IKAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000002703536 556123069 /nfs/dbraw/zinc/12/30/69/556123069.db2.gz JNGJTSQUGLNWAL-QHCPKHFHSA-N 0 0 445.902 5.243 50 0 IKAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002704204 556123610 /nfs/dbraw/zinc/12/36/10/556123610.db2.gz MLPMLWQWQDEFDF-OAQYLSRUSA-N 0 0 446.528 5.568 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 ZINC000002704504 556123895 /nfs/dbraw/zinc/12/38/95/556123895.db2.gz OVSCUDONUFCQPC-NRFANRHFSA-N 0 0 435.838 5.037 50 0 IKAARN CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1cccc(C(F)(F)F)c1 ZINC000002706442 556124118 /nfs/dbraw/zinc/12/41/18/556124118.db2.gz CFZGCGIOTANTCU-UHFFFAOYSA-N 0 0 439.532 5.487 50 0 IKAARN CCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1cccc(C(F)(F)F)c1 ZINC000002706440 556124160 /nfs/dbraw/zinc/12/41/60/556124160.db2.gz RMUVMIOJEUBFAS-UHFFFAOYSA-N 0 0 425.505 5.097 50 0 IKAARN O=C(NCc1ccccc1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000002707367 556124188 /nfs/dbraw/zinc/12/41/88/556124188.db2.gz CEIHDIRGSRKJAO-OOAXWGSJSA-N 0 0 448.522 5.566 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CC[C@H](CC)C2 ZINC000002708163 556124433 /nfs/dbraw/zinc/12/44/33/556124433.db2.gz PCEUAUHOKAPLBU-KGLIPLIRSA-N 0 0 431.623 5.878 50 0 IKAARN COCCNC(=O)c1cccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000002710114 556124693 /nfs/dbraw/zinc/12/46/93/556124693.db2.gz KTVAKSMVFJXZGO-UHFFFAOYSA-N 0 0 432.911 5.070 50 0 IKAARN Cc1ccccc1CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002720045 556126545 /nfs/dbraw/zinc/12/65/45/556126545.db2.gz UTJTZGANTFGOMB-UHFFFAOYSA-N 0 0 445.407 5.244 50 0 IKAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000002720946 556127407 /nfs/dbraw/zinc/12/74/07/556127407.db2.gz KTEJCSZZRVTGAL-UHFFFAOYSA-N 0 0 445.931 5.495 50 0 IKAARN C[C@@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000002721760 556127677 /nfs/dbraw/zinc/12/76/77/556127677.db2.gz SIJPSRGCRLNRPI-CQSZACIVSA-N 0 0 445.562 6.228 50 0 IKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccccc1)c1cc2ccccc2oc1=O ZINC000002721141 556127685 /nfs/dbraw/zinc/12/76/85/556127685.db2.gz FKIZCSAKSFIFST-UHFFFAOYSA-N 0 0 440.524 5.463 50 0 aggregator IKAARN CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721651 556127734 /nfs/dbraw/zinc/12/77/34/556127734.db2.gz DAYGENUHGNXVRI-UHFFFAOYSA-N 0 0 438.368 5.439 50 0 IKAARN Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002721848 556127747 /nfs/dbraw/zinc/12/77/47/556127747.db2.gz FBOKURKKXAWETD-UHFFFAOYSA-N 0 0 429.494 5.507 50 0 IKAARN C[C@@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002721859 556127945 /nfs/dbraw/zinc/12/79/45/556127945.db2.gz MXGBKYKQFLXFBJ-CQSZACIVSA-N 0 0 445.949 6.274 50 0 IKAARN C[C@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002721858 556127948 /nfs/dbraw/zinc/12/79/48/556127948.db2.gz MXGBKYKQFLXFBJ-AWEZNQCLSA-N 0 0 445.949 6.274 50 0 IKAARN Cc1cccc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)c1C ZINC000002722262 556128024 /nfs/dbraw/zinc/12/80/24/556128024.db2.gz DHDGTDBOZGJMBZ-UHFFFAOYSA-N 0 0 446.572 5.027 50 0 IKAARN CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714627 556129836 /nfs/dbraw/zinc/12/98/36/556129836.db2.gz UWCBHTCVDLHSJJ-UHFFFAOYSA-N 0 0 440.934 6.883 50 0 IKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2ccc(Cl)cc2)cc1 ZINC000002714761 556130165 /nfs/dbraw/zinc/13/01/65/556130165.db2.gz VNGFPFAMOUANRR-UHFFFAOYSA-N 0 0 442.925 6.535 50 0 IKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccc(Cl)c2)cc1 ZINC000002714999 556130244 /nfs/dbraw/zinc/13/02/44/556130244.db2.gz DIIOQEVMNKNZNK-UHFFFAOYSA-N 0 0 445.353 7.006 50 0 IKAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccc(C)cc32)cc1 ZINC000002715791 556130262 /nfs/dbraw/zinc/13/02/62/556130262.db2.gz HFHLPFCHGRPOCG-UHFFFAOYSA-N 0 0 445.540 5.314 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccco2)c1Sc1c(F)c(F)c(F)c(F)c1F ZINC000002718667 556131547 /nfs/dbraw/zinc/13/15/47/556131547.db2.gz VLMAGJMVOJLVRS-UHFFFAOYSA-N 0 0 446.397 5.605 50 0 IKAARN Cc1ccc(-n2ncc3c2nc(SCc2ccc(C(F)(F)F)cc2)[nH]c3=O)cc1C ZINC000002718458 556131552 /nfs/dbraw/zinc/13/15/52/556131552.db2.gz IDIJONJWEMIUCR-UHFFFAOYSA-N 0 0 430.455 5.037 50 0 IKAARN COc1cc(OC)cc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2-c2ccccc2)c1 ZINC000002718489 556131556 /nfs/dbraw/zinc/13/15/56/556131556.db2.gz DSCWPNAWELSEAT-UHFFFAOYSA-N 0 0 446.528 5.568 50 0 IKAARN CCc1nnc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)s1 ZINC000002736651 556131881 /nfs/dbraw/zinc/13/18/81/556131881.db2.gz REPHDPDJTPWMID-UHFFFAOYSA-N 0 0 429.332 5.875 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 ZINC000002737229 556132124 /nfs/dbraw/zinc/13/21/24/556132124.db2.gz ZUZBRSHBRVJLAO-UONOGXRCSA-N 0 0 435.973 5.417 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 ZINC000002737691 556132128 /nfs/dbraw/zinc/13/21/28/556132128.db2.gz SMEUZFFGPFBJIE-LBPRGKRZSA-N 0 0 436.371 5.455 50 0 IKAARN COc1ccc([C@@H]2Nc3sc(C(C)C)cc3C(=O)N2)cc1COc1ccc(F)cc1F ZINC000002738005 556132457 /nfs/dbraw/zinc/13/24/57/556132457.db2.gz QAPUBNJISKHUPG-NRFANRHFSA-N 0 0 444.503 5.591 50 0 IKAARN CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000002740275 556132788 /nfs/dbraw/zinc/13/27/88/556132788.db2.gz PFYSKXUPHZTEPO-UHFFFAOYSA-N 0 0 444.918 6.374 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 ZINC000002742416 556132948 /nfs/dbraw/zinc/13/29/48/556132948.db2.gz AGBDTGXSUDILQN-LLVKDONJSA-N 0 0 433.982 6.170 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3n2)cc1OC ZINC000002742477 556133085 /nfs/dbraw/zinc/13/30/85/556133085.db2.gz MLCYBPBXRFHKEU-UHFFFAOYSA-N 0 0 426.472 5.374 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc1C ZINC000002741396 556133093 /nfs/dbraw/zinc/13/30/93/556133093.db2.gz ARJODYIKGJRADK-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc(COc2c(Cl)cccc2Cl)cc1 ZINC000002729989 556133766 /nfs/dbraw/zinc/13/37/66/556133766.db2.gz CSXQGSYXPKVVCH-UHFFFAOYSA-N 0 0 444.240 5.584 50 0 IKAARN Cc1cc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)nn1Cc1ccccc1C ZINC000002729830 556133814 /nfs/dbraw/zinc/13/38/14/556133814.db2.gz ZDLXPIPFJNIYOS-UHFFFAOYSA-N 0 0 441.531 5.461 50 0 IKAARN Cc1ccc(OC(F)F)c(NC(=S)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c1 ZINC000002728298 556133826 /nfs/dbraw/zinc/13/38/26/556133826.db2.gz JVIIRFGZXZPIFH-UHFFFAOYSA-N 0 0 440.878 5.443 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3cccc(F)c3)n2)cc1OC ZINC000002733306 556135063 /nfs/dbraw/zinc/13/50/63/556135063.db2.gz SXFJRECREJCNAP-UHFFFAOYSA-N 0 0 434.467 5.380 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 ZINC000002733861 556135147 /nfs/dbraw/zinc/13/51/47/556135147.db2.gz BGFOSCSNQXLVMK-UHFFFAOYSA-N 0 0 432.243 6.177 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn(-c2nc(-c3ccccc3)cs2)c1-c1ccc(F)cc1 ZINC000002733480 556135169 /nfs/dbraw/zinc/13/51/69/556135169.db2.gz LRRGBHFBSYKOAZ-UHFFFAOYSA-N 0 0 429.495 6.916 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(OC)cc1 ZINC000002763073 556135684 /nfs/dbraw/zinc/13/56/84/556135684.db2.gz UGEJAQAFFOJUNX-IBGZPJMESA-N 0 0 442.364 5.431 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002762685 556135709 /nfs/dbraw/zinc/13/57/09/556135709.db2.gz UVPSSDRUHRDBOI-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002762483 556135756 /nfs/dbraw/zinc/13/57/56/556135756.db2.gz VYGKPBHONGXJKH-UHFFFAOYSA-N 0 0 441.508 6.078 50 0 IKAARN CC(C)Oc1ccccc1-c1cc(C(=O)Nc2ccccc2C(N)=O)c2ccccc2n1 ZINC000002764436 556135974 /nfs/dbraw/zinc/13/59/74/556135974.db2.gz PVVMYRIERFSIMF-UHFFFAOYSA-N 0 0 425.488 5.040 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(Br)o1 ZINC000002763496 556135983 /nfs/dbraw/zinc/13/59/83/556135983.db2.gz NQPKMISLFSAPTQ-UHFFFAOYSA-N 0 0 443.128 5.463 50 0 IKAARN Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 ZINC000002763982 556135988 /nfs/dbraw/zinc/13/59/88/556135988.db2.gz QBKKTAHAGAHBDJ-UHFFFAOYSA-N 0 0 441.487 5.322 50 0 IKAARN CCC(NC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1)(C(F)(F)F)C(F)(F)F ZINC000002765475 556136333 /nfs/dbraw/zinc/13/63/33/556136333.db2.gz LRNOYIMIQYFVCL-UHFFFAOYSA-N 0 0 427.429 6.762 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)n(-c2ccccc2)nc1-c1ccccc1 ZINC000002744090 556136380 /nfs/dbraw/zinc/13/63/80/556136380.db2.gz JNZFOJOOBYGREC-UHFFFAOYSA-N 0 0 439.559 6.406 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cn3cccn3)cc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000002743987 556136398 /nfs/dbraw/zinc/13/63/98/556136398.db2.gz BOCCWUCQTBAHNT-UHFFFAOYSA-N 0 0 433.515 5.345 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCO3)C[C@@H](C(C)(C)C)CC2 ZINC000002745172 556136404 /nfs/dbraw/zinc/13/64/04/556136404.db2.gz LUORGKDMJGWJMI-AWEZNQCLSA-N 0 0 429.538 5.057 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1nc2c(s1)CCCC2 ZINC000002746370 556136591 /nfs/dbraw/zinc/13/65/91/556136591.db2.gz DGXFSLYPXQVMEP-UHFFFAOYSA-N 0 0 443.528 5.033 50 0 IKAARN CCCCCN(CCCCC)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002747214 556136633 /nfs/dbraw/zinc/13/66/33/556136633.db2.gz VIDXRWHUPXWPAG-UHFFFAOYSA-N 0 0 429.029 7.439 50 0 IKAARN CCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](c2ccccc2)C3)c1 ZINC000002750873 556136874 /nfs/dbraw/zinc/13/68/74/556136874.db2.gz WRFCQYMMSUEKKF-SFHVURJKSA-N 0 0 449.572 5.848 50 0 IKAARN COc1ccc(NC(=O)c2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc1 ZINC000002750211 556136903 /nfs/dbraw/zinc/13/69/03/556136903.db2.gz WZSGUVWEZZYYJE-UHFFFAOYSA-N 0 0 434.580 6.055 50 0 IKAARN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000002749369 556136907 /nfs/dbraw/zinc/13/69/07/556136907.db2.gz QFZFXQDAZDCELA-UHFFFAOYSA-N 0 0 442.302 5.663 50 0 IKAARN CC(C)(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2n1 ZINC000002749494 556136944 /nfs/dbraw/zinc/13/69/44/556136944.db2.gz CKJUXJQATNXVSQ-UHFFFAOYSA-N 0 0 431.245 5.605 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 ZINC000002748723 556136947 /nfs/dbraw/zinc/13/69/47/556136947.db2.gz DQBYBPKLTOICAO-UHFFFAOYSA-N 0 0 436.433 6.572 50 0 IKAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1I ZINC000002749138 556136951 /nfs/dbraw/zinc/13/69/51/556136951.db2.gz DPIIAFWEUPHXIF-HXUWFJFHSA-N 0 0 442.252 5.072 50 0 IKAARN O=C(Nc1ncccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002751739 556137193 /nfs/dbraw/zinc/13/71/93/556137193.db2.gz SZSRSFQRPFDNBB-UHFFFAOYSA-N 0 0 428.706 6.509 50 0 IKAARN CCCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 ZINC000002754001 556137196 /nfs/dbraw/zinc/13/71/96/556137196.db2.gz NWUGMDADFQDDOV-UHFFFAOYSA-N 0 0 447.556 6.070 50 0 IKAARN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccc(OC(C)C)c1 ZINC000002756288 556137468 /nfs/dbraw/zinc/13/74/68/556137468.db2.gz MFMSEPJKYMNVGO-UHFFFAOYSA-N 0 0 429.925 5.895 50 0 IKAARN O=C(Oc1ccc(Br)cc1Br)c1ccc(Br)cc1 ZINC000002755965 556137479 /nfs/dbraw/zinc/13/74/79/556137479.db2.gz JXPFNCUYIUXDPG-UHFFFAOYSA-N 0 0 434.909 5.193 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1Cl ZINC000002758493 556137527 /nfs/dbraw/zinc/13/75/27/556137527.db2.gz WKVDYFQZXNMNCI-UHFFFAOYSA-N 0 0 428.963 7.314 50 0 IKAARN CC(C)Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000002759177 556137761 /nfs/dbraw/zinc/13/77/61/556137761.db2.gz GTPNKXSETPEYAW-UHFFFAOYSA-N 0 0 428.963 6.684 50 0 IKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1cccc2ccccc21 ZINC000002782132 556137983 /nfs/dbraw/zinc/13/79/83/556137983.db2.gz BLGXBPKENTVCOO-UHFFFAOYSA-N 0 0 427.360 6.200 50 0 IKAARN O=C(Nc1nccs1)c1sc2c(c1Cl)c(OC(F)F)ccc2Br ZINC000002783384 556138303 /nfs/dbraw/zinc/13/83/03/556138303.db2.gz BBDFYYIYVLXFEO-UHFFFAOYSA-N 0 0 439.690 5.627 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@H](C)C2 ZINC000002783032 556138388 /nfs/dbraw/zinc/13/83/88/556138388.db2.gz SHFQALJZOFTQNF-IFXJQAMLSA-N 0 0 429.582 5.463 50 0 IKAARN COc1cc2c(cc1NC(=O)CSc1nccc(-c3ccco3)n1)oc1ccccc12 ZINC000002785799 556138512 /nfs/dbraw/zinc/13/85/12/556138512.db2.gz NILXSAGJFFBBNG-UHFFFAOYSA-N 0 0 431.473 5.375 50 0 IKAARN COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)cc2)cc1 ZINC000002786135 556138521 /nfs/dbraw/zinc/13/85/21/556138521.db2.gz WRIOXABIEJXXBO-UHFFFAOYSA-N 0 0 428.517 5.082 50 0 IKAARN COc1ccc(NC(=O)C(Nc2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1 ZINC000002785420 556138576 /nfs/dbraw/zinc/13/85/76/556138576.db2.gz IOTYLBQFIGGSTJ-UHFFFAOYSA-N 0 0 438.527 5.698 50 0 IKAARN CCCCc1ccc(NCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002789322 556139058 /nfs/dbraw/zinc/13/90/58/556139058.db2.gz QZSIUFAXTHQDMI-UHFFFAOYSA-N 0 0 444.398 5.966 50 0 IKAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000002789213 556139107 /nfs/dbraw/zinc/13/91/07/556139107.db2.gz XFHKTWDLQRLKGM-HXUWFJFHSA-N 0 0 426.538 5.240 50 0 IKAARN CC[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6cc(Cl)cn6)o5)nc4c23)C1 ZINC000002789904 556139411 /nfs/dbraw/zinc/13/94/11/556139411.db2.gz GSYSBFRRZLLLDE-GFCCVEGCSA-N 0 0 438.944 5.012 50 0 IKAARN CC[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21)c1ccccc1 ZINC000002769093 556139925 /nfs/dbraw/zinc/13/99/25/556139925.db2.gz HIEDSKVTAQLEQY-JOCHJYFZSA-N 0 0 426.516 5.800 50 0 IKAARN CC[C@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21)c1ccccc1 ZINC000002769092 556139942 /nfs/dbraw/zinc/13/99/42/556139942.db2.gz HIEDSKVTAQLEQY-QFIPXVFZSA-N 0 0 426.516 5.800 50 0 IKAARN Cc1cccc(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)n1 ZINC000002772037 556140224 /nfs/dbraw/zinc/14/02/24/556140224.db2.gz IYLADLBOWIDYSS-UHFFFAOYSA-N 0 0 437.834 5.086 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(C(C)C)cc3)c(C)s2)cc1 ZINC000002771767 556140253 /nfs/dbraw/zinc/14/02/53/556140253.db2.gz MLVSKGDDCGHOHS-UHFFFAOYSA-N 0 0 425.579 5.377 50 0 IKAARN COC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CCCCCC2 ZINC000002773397 556140283 /nfs/dbraw/zinc/14/02/83/556140283.db2.gz HDSVZDUJLIRSPE-UHFFFAOYSA-N 0 0 442.364 5.518 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002773524 556140409 /nfs/dbraw/zinc/14/04/09/556140409.db2.gz YBCPYMCCHQANNN-UHFFFAOYSA-N 0 0 437.381 6.099 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)CC)C3)cc1 ZINC000002773860 556140503 /nfs/dbraw/zinc/14/05/03/556140503.db2.gz QVEAUVSPANYARO-KRWDZBQOSA-N 0 0 442.625 5.819 50 0 IKAARN COc1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)o1 ZINC000002790902 556141557 /nfs/dbraw/zinc/14/15/57/556141557.db2.gz WZTOOTDCODBQTR-CQSZACIVSA-N 0 0 446.532 5.311 50 0 IKAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002780305 556141572 /nfs/dbraw/zinc/14/15/72/556141572.db2.gz WCYXHWJXBXHPIQ-UHFFFAOYSA-N 0 0 446.498 5.031 50 0 IKAARN O=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc(Cl)cc1Cl ZINC000002798340 556141862 /nfs/dbraw/zinc/14/18/62/556141862.db2.gz VTOKFAHHNWQMHH-UHFFFAOYSA-N 0 0 440.680 5.560 50 0 IKAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2C(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000002803124 556142665 /nfs/dbraw/zinc/14/26/65/556142665.db2.gz DEVVYPUJCJRHBP-IEBWSBKVSA-N 0 0 430.430 5.087 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(Cl)c(C(=O)OC)sc2c1)n1nc(C)c(Cl)c1C ZINC000002805188 556143267 /nfs/dbraw/zinc/14/32/67/556143267.db2.gz SMHRKIXISOAKOK-ZDUSSCGKSA-N 0 0 440.352 5.398 50 0 IKAARN C[C@H](NC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1)c1ccc(-n2cccc2)cc1 ZINC000002805329 556143636 /nfs/dbraw/zinc/14/36/36/556143636.db2.gz SEKHKUQLRKUJBI-FQEVSTJZSA-N 0 0 442.563 5.499 50 0 IKAARN C[C@H](NC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1)c1cccc(-n2cccc2)c1 ZINC000002805346 556143695 /nfs/dbraw/zinc/14/36/95/556143695.db2.gz KYWVLSYUFPBCMV-FQEVSTJZSA-N 0 0 442.563 5.499 50 0 IKAARN Cc1cccc(NC(=O)CSc2nccc(-c3ccc(Br)cc3)n2)c1C ZINC000002805514 556143711 /nfs/dbraw/zinc/14/37/11/556143711.db2.gz JYHSUCMDSGNEPZ-UHFFFAOYSA-N 0 0 428.355 5.254 50 0 IKAARN Cc1cc(=O)oc2cc(NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)ccc12 ZINC000002791336 556143888 /nfs/dbraw/zinc/14/38/88/556143888.db2.gz YVUARXMRRZLQNT-UHFFFAOYSA-N 0 0 447.340 5.082 50 0 IKAARN Cc1ccccc1N1C(=S)N=NC1c1cc(Br)c(Br)s1 ZINC000002791733 556143914 /nfs/dbraw/zinc/14/39/14/556143914.db2.gz YPUYXGKENSNIMM-UHFFFAOYSA-N 0 0 431.178 5.118 50 0 IKAARN O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1c(F)c(F)cc(F)c1F ZINC000002806533 556143921 /nfs/dbraw/zinc/14/39/21/556143921.db2.gz KXERVRNXLLXJOG-UHFFFAOYSA-N 0 0 427.810 5.084 50 0 IKAARN Cc1cc(=O)oc2cc(NC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)ccc12 ZINC000002792113 556144330 /nfs/dbraw/zinc/14/43/30/556144330.db2.gz GNUAJAXPVAYIKS-UHFFFAOYSA-N 0 0 446.413 5.001 50 0 IKAARN COc1ccc(-c2n[nH]c(=S)n2C[C@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 ZINC000002793185 556144672 /nfs/dbraw/zinc/14/46/72/556144672.db2.gz ZMMBRVWTGVBYCC-GOSISDBHSA-N 0 0 445.972 5.336 50 0 IKAARN Cc1nn(C[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c(C)c1Br ZINC000002794223 556145028 /nfs/dbraw/zinc/14/50/28/556145028.db2.gz BBKDRULZOBRQMC-CQSZACIVSA-N 0 0 444.398 5.688 50 0 IKAARN Cc1cc(F)ccc1NC(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000002796292 556145685 /nfs/dbraw/zinc/14/56/85/556145685.db2.gz FAYXPMJFXMFIDM-UHFFFAOYSA-N 0 0 438.684 5.035 50 0 IKAARN Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)cccc1-c1nc2ccccc2s1 ZINC000002811534 556145755 /nfs/dbraw/zinc/14/57/55/556145755.db2.gz HHNDXKAJVBPXAA-UHFFFAOYSA-N 0 0 443.355 6.596 50 0 IKAARN CCc1c(C)sc2ncn3nc(-c4cccc(Cn5nc(C)c(Cl)c5C)c4)nc3c12 ZINC000002808906 556147032 /nfs/dbraw/zinc/14/70/32/556147032.db2.gz OMRYMUXKZYUSEY-UHFFFAOYSA-N 0 0 436.972 5.392 50 0 IKAARN O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000002889074 556147521 /nfs/dbraw/zinc/14/75/21/556147521.db2.gz USDGTALQVWIKPN-UHFFFAOYSA-N 0 0 444.537 5.682 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000002848042 556147850 /nfs/dbraw/zinc/14/78/50/556147850.db2.gz LFQIUOBBXNILQY-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000002915343 556148787 /nfs/dbraw/zinc/14/87/87/556148787.db2.gz JYJZEMKRIHSWLE-DQEYMECFSA-N 0 0 440.934 5.761 50 0 IKAARN CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2 ZINC000002912770 556148837 /nfs/dbraw/zinc/14/88/37/556148837.db2.gz SCECUIVCFQFUKW-UHFFFAOYSA-N 0 0 436.964 5.790 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000002915346 556149048 /nfs/dbraw/zinc/14/90/48/556149048.db2.gz JYJZEMKRIHSWLE-JWQCQUIFSA-N 0 0 440.934 5.761 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Br)c3)nc2c1 ZINC000002938336 556150019 /nfs/dbraw/zinc/15/00/19/556150019.db2.gz QKEPAJYDLCXBRK-UHFFFAOYSA-N 0 0 435.321 6.633 50 0 IKAARN O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1CCc1ccccc1 ZINC000002925274 556150619 /nfs/dbraw/zinc/15/06/19/556150619.db2.gz PRTFSUINUGCAAD-UHFFFAOYSA-N 0 0 430.957 5.786 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cn1-c1ccc(Br)cc1)c1ccccc1 ZINC000002958046 556151017 /nfs/dbraw/zinc/15/10/17/556151017.db2.gz DYIBYMOUCOMBAN-UHFFFAOYSA-N 0 0 449.373 6.277 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc2c(Br)cccc12 ZINC000002960467 556151308 /nfs/dbraw/zinc/15/13/08/556151308.db2.gz MLFBDYDSEDGQBL-UHFFFAOYSA-N 0 0 443.300 6.663 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C(F)(F)F)c3)oc21 ZINC000002951399 556151488 /nfs/dbraw/zinc/15/14/88/556151488.db2.gz CMTNDZJPRDLENH-XHPQRKPJSA-N 0 0 445.422 5.401 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)sc2c1 ZINC000002972844 556152520 /nfs/dbraw/zinc/15/25/20/556152520.db2.gz DUOMCROZZZODJP-UHFFFAOYSA-N 0 0 437.977 6.052 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1Cl ZINC000002986417 556152530 /nfs/dbraw/zinc/15/25/30/556152530.db2.gz XUTLVHXJOCYPPE-UHFFFAOYSA-N 0 0 433.722 6.460 50 0 IKAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2ccc(Cl)cc2)c1 ZINC000002974935 556152745 /nfs/dbraw/zinc/15/27/45/556152745.db2.gz PCZVIQJKEZHIKB-UHFFFAOYSA-N 0 0 438.962 6.704 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)c3)oc2c(C)c1 ZINC000002978923 556153619 /nfs/dbraw/zinc/15/36/19/556153619.db2.gz GAMPESSFQHYZEV-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3cccc4ccccc43)C(=O)O2)cc1 ZINC000002980563 556153821 /nfs/dbraw/zinc/15/38/21/556153821.db2.gz DKCAKSWPXCRSIG-JJIBRWJFSA-N 0 0 433.463 5.712 50 0 IKAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2Cl)CSC3)c1C ZINC000003008359 556154592 /nfs/dbraw/zinc/15/45/92/556154592.db2.gz KLCUEGCTJSSFKH-UHFFFAOYSA-N 0 0 448.375 5.560 50 0 IKAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 ZINC000003011655 556155606 /nfs/dbraw/zinc/15/56/06/556155606.db2.gz SVOLYYCMEMBNTQ-AZUAARDMSA-N 0 0 444.457 5.421 50 0 IKAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 ZINC000003011649 556155642 /nfs/dbraw/zinc/15/56/42/556155642.db2.gz LICYRNCXPDLYAF-UYAOXDASSA-N 0 0 444.457 5.421 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000002999728 556156147 /nfs/dbraw/zinc/15/61/47/556156147.db2.gz KEKADKFJQPSPNV-UHFFFAOYSA-N 0 0 447.585 5.879 50 0 IKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 ZINC000003014310 556156719 /nfs/dbraw/zinc/15/67/19/556156719.db2.gz CZDBTPOJTLCTRK-KBMIEXCESA-N 0 0 434.561 5.077 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000003008155 556157094 /nfs/dbraw/zinc/15/70/94/556157094.db2.gz PDQBEFUDEMKCOB-UHFFFAOYSA-N 0 0 438.311 5.083 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383506 556159125 /nfs/dbraw/zinc/15/91/25/556159125.db2.gz AXDZMIAGHLBRGB-UHFFFAOYSA-N 0 0 429.903 6.212 50 0 IKAARN Cc1cccc2c(C(=O)OCC(=O)C(C)(C)C)cc(-c3ccc(Br)cc3)nc12 ZINC000008383426 556159176 /nfs/dbraw/zinc/15/91/76/556159176.db2.gz MUOAUTWSPWYHBE-UHFFFAOYSA-N 0 0 440.337 5.745 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3ccc(F)cc3)cc(-c3ccccc3)nc12 ZINC000008383487 556159190 /nfs/dbraw/zinc/15/91/90/556159190.db2.gz QRNLFXVYMHIGBG-UHFFFAOYSA-N 0 0 433.866 6.042 50 0 IKAARN COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1 ZINC000008383689 556159424 /nfs/dbraw/zinc/15/94/24/556159424.db2.gz DREZIVHLFYOSGU-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)O[C@H](C)C(=O)c3ccccc3)cc(-c3ccccc3)nc12 ZINC000008383656 556159439 /nfs/dbraw/zinc/15/94/39/556159439.db2.gz XXKJUDFNRUSOHS-QGZVFWFLSA-N 0 0 429.903 6.292 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc(-c3ccccc3)nc12 ZINC000008383653 556159483 /nfs/dbraw/zinc/15/94/83/556159483.db2.gz XXKJUDFNRUSOHS-KRWDZBQOSA-N 0 0 429.903 6.292 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3c(C)cc(C)cc32)cc1 ZINC000008383526 556159491 /nfs/dbraw/zinc/15/94/91/556159491.db2.gz MWTFZPZAZHDPMZ-UHFFFAOYSA-N 0 0 428.963 7.295 50 0 IKAARN Cc1cc(C)c([C@]2(c3ccccc3)SC(c3ccccc3)=NN2c2ccccc2)c(C)c1 ZINC000008383961 556159694 /nfs/dbraw/zinc/15/96/94/556159694.db2.gz AGZVIDBAQCTFRI-LJAQVGFWSA-N 0 0 434.608 7.428 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)O[C@H](C)C(=O)c3ccccc3)cc(-c3cccs3)nc12 ZINC000008384111 556159952 /nfs/dbraw/zinc/15/99/52/556159952.db2.gz OZCNXLFVDGLQEW-OAHLLOKOSA-N 0 0 435.932 6.353 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc(-c3cccs3)nc12 ZINC000008384110 556159966 /nfs/dbraw/zinc/15/99/66/556159966.db2.gz OZCNXLFVDGLQEW-HNNXBMFYSA-N 0 0 435.932 6.353 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)Nc3cccc4ccccc43)cc(-c3cccs3)nc12 ZINC000008384440 556160322 /nfs/dbraw/zinc/16/03/22/556160322.db2.gz YYTFWYBNSVXKGZ-UHFFFAOYSA-N 0 0 428.944 7.331 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 ZINC000008384619 556160506 /nfs/dbraw/zinc/16/05/06/556160506.db2.gz AYAULFGKPYNHFM-UHFFFAOYSA-N 0 0 440.590 8.378 50 0 IKAARN Cc1cc(C)c(C(C(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000008384838 556160564 /nfs/dbraw/zinc/16/05/64/556160564.db2.gz YRJDIACHVRSZKN-UHFFFAOYSA-N 0 0 441.358 6.280 50 0 IKAARN CSc1cc(-c2ccc(C)cc2)n(-c2ccccc2)c(=S)c1C(=O)c1ccc(C)cc1 ZINC000008384910 556160577 /nfs/dbraw/zinc/16/05/77/556160577.db2.gz XTANAQKJFVDPBS-UHFFFAOYSA-N 0 0 441.621 7.444 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3O)oc2cc1C ZINC000008385099 556160867 /nfs/dbraw/zinc/16/08/67/556160867.db2.gz URACCCURZBPSGE-UHFFFAOYSA-N 0 0 448.931 6.938 50 0 IKAARN COc1cccc([C@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000008385085 556160926 /nfs/dbraw/zinc/16/09/26/556160926.db2.gz IVSVMTRYSPFHOR-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN COc1cccc([C@@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000008385082 556160931 /nfs/dbraw/zinc/16/09/31/556160931.db2.gz IVSVMTRYSPFHOR-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN O=C(NCCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000008385792 556161467 /nfs/dbraw/zinc/16/14/67/556161467.db2.gz RAHRUVMBDKOWFC-PXLXIMEGSA-N 0 0 439.342 5.123 50 0 IKAARN COc1cc2c(cc1NC(=O)COc1ccc(Br)c(C)c1)oc1ccccc12 ZINC000008385589 556161482 /nfs/dbraw/zinc/16/14/82/556161482.db2.gz HDNAMTJVCOGQEK-UHFFFAOYSA-N 0 0 440.293 5.683 50 0 IKAARN COc1ccc(-c2c3c(N)c(C(=O)Nc4ccccc4)sc3nc3c2CCCC3)cc1 ZINC000008385966 556161812 /nfs/dbraw/zinc/16/18/12/556161812.db2.gz OYPDHDXGINFFNR-UHFFFAOYSA-N 0 0 429.545 5.685 50 0 IKAARN COc1ccc([C@H]2Nc3c(sc4nc5c(c(-c6ccccc6)c43)CCCC5)C(=O)N2)cc1 ZINC000008386910 556162479 /nfs/dbraw/zinc/16/24/79/556162479.db2.gz ZHDQPWYJDDPXMG-DEOSSOPVSA-N 0 0 441.556 5.705 50 0 IKAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CCc1ccccc1 ZINC000008387512 556162797 /nfs/dbraw/zinc/16/27/97/556162797.db2.gz ODZBMLRRQVESPX-UHFFFAOYSA-N 0 0 439.533 5.180 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)s1 ZINC000008396744 556163631 /nfs/dbraw/zinc/16/36/31/556163631.db2.gz RLVFPGYWHBPXLF-AWYKWWOESA-N 0 0 430.617 6.606 50 0 IKAARN COc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1OC ZINC000008396809 556163944 /nfs/dbraw/zinc/16/39/44/556163944.db2.gz ICFYKYGEZGUARM-UHFFFAOYSA-N 0 0 442.559 5.618 50 0 IKAARN Cc1ccc(/C=C/c2nn(-c3ccc(Br)cc3)c3c2ccccc3=O)c(C)c1 ZINC000008397905 556164485 /nfs/dbraw/zinc/16/44/85/556164485.db2.gz IXDVRAGGFHWZHV-NTEUORMPSA-N 0 0 431.333 5.935 50 0 IKAARN COc1cccc(/C=C/c2nn(-c3ccc(Br)cc3)c3c2ccccc3=O)c1 ZINC000008397890 556164532 /nfs/dbraw/zinc/16/45/32/556164532.db2.gz SPPDLXKZFWUPHR-NTEUORMPSA-N 0 0 433.305 5.327 50 0 IKAARN Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc32)c2ccc(Cl)c(C)c2NC1=O ZINC000008398358 556164711 /nfs/dbraw/zinc/16/47/11/556164711.db2.gz HRIKOHJQKNLRLF-UHFFFAOYSA-N 0 0 439.946 6.514 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1 ZINC000008399859 556165589 /nfs/dbraw/zinc/16/55/89/556165589.db2.gz IPYFYEIFNNJKAL-ATVHPVEESA-N 0 0 445.700 5.105 50 0 IKAARN CCOC(=O)/C(=C\OCCOc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 ZINC000008400999 556166547 /nfs/dbraw/zinc/16/65/47/556166547.db2.gz LOEAMVINQZWQCO-LDADJPATSA-N 0 0 431.699 5.526 50 0 IKAARN CCc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)cc1 ZINC000008407311 556166793 /nfs/dbraw/zinc/16/67/93/556166793.db2.gz PSIAACSFRKOOEL-QFIPXVFZSA-N 0 0 433.577 6.929 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000008407759 556166859 /nfs/dbraw/zinc/16/68/59/556166859.db2.gz NBZXUFOUHJULJT-STZFKDTASA-N 0 0 433.891 5.662 50 0 IKAARN O=C(Cn1c2ccccc2nc1Sc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 ZINC000008409962 556167070 /nfs/dbraw/zinc/16/70/70/556167070.db2.gz GBSZGRKTSUARFF-UHFFFAOYSA-N 0 0 447.869 6.138 50 0 IKAARN Clc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2ccccc2S1 ZINC000008411635 556167100 /nfs/dbraw/zinc/16/71/00/556167100.db2.gz CDIIOLDSPVZPFK-NRFANRHFSA-N 0 0 428.782 7.460 50 0 IKAARN Cc1ccc(NC2=C[C@H](c3cccc(Br)c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008424600 556167966 /nfs/dbraw/zinc/16/79/66/556167966.db2.gz ATYXXWBVRBLZJY-HSZRJFAPSA-N 0 0 433.349 6.150 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)s2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000008426036 556168611 /nfs/dbraw/zinc/16/86/11/556168611.db2.gz BSQJTGUYECLOCX-UHFFFAOYSA-N 0 0 446.984 7.158 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000008426631 556169065 /nfs/dbraw/zinc/16/90/65/556169065.db2.gz JTOHHIUGYCNVHE-LAUBAEHRSA-N 0 0 429.328 5.807 50 0 IKAARN O=C(c1ccc(Br)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000008426667 556169070 /nfs/dbraw/zinc/16/90/70/556169070.db2.gz YYJXUZHHFIPZEH-UTKZUKDTSA-N 0 0 439.334 5.263 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008426695 556169096 /nfs/dbraw/zinc/16/90/96/556169096.db2.gz LHPLRBDMNKVZTA-URXFXBBRSA-N 0 0 447.332 5.510 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000008426627 556169112 /nfs/dbraw/zinc/16/91/12/556169112.db2.gz PWFIAWWOPTVDMU-UPVQGACJSA-N 0 0 433.349 6.308 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008426711 556169116 /nfs/dbraw/zinc/16/91/16/556169116.db2.gz MNTOXBCAZXVFPE-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000008427541 556169879 /nfs/dbraw/zinc/16/98/79/556169879.db2.gz BRIOINWOBOGTMV-KYVQNOJUSA-N 0 0 437.926 5.764 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000008430028 556170224 /nfs/dbraw/zinc/17/02/24/556170224.db2.gz LSEFRFXCYUDJGN-BGXCPIDJSA-N 0 0 428.963 6.889 50 0 IKAARN COc1ccccc1-n1c(/C=C/c2cccc(Br)c2)nc2ccccc2c1=O ZINC000008431525 556171053 /nfs/dbraw/zinc/17/10/53/556171053.db2.gz TWNQSHGFWCLDTF-BUHFOSPRSA-N 0 0 433.305 5.327 50 0 IKAARN FC(F)Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008431594 556171164 /nfs/dbraw/zinc/17/11/64/556171164.db2.gz XHTIYMJMMBWIKS-IRLDBZIGSA-N 0 0 426.850 6.184 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000008431644 556171541 /nfs/dbraw/zinc/17/15/41/556171541.db2.gz GBSAGACUTNJOCD-XIPGCIFSSA-N 0 0 426.947 6.777 50 0 IKAARN COc1cc2c(cc1NP(=O)(Oc1ccccc1)Oc1ccccc1)oc1ccccc12 ZINC000008434780 556172772 /nfs/dbraw/zinc/17/27/72/556172772.db2.gz OLHHMHQZXYPWFO-UHFFFAOYSA-N 0 0 445.411 7.273 50 0 IKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(Br)c1OC ZINC000008435412 556173345 /nfs/dbraw/zinc/17/33/45/556173345.db2.gz WLJDHVDSEYNHKO-UHFFFAOYSA-N 0 0 435.321 6.190 50 0 IKAARN Cc1cccc(NC(=O)CSC2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 ZINC000008438514 556174287 /nfs/dbraw/zinc/17/42/87/556174287.db2.gz UOWIFADNVVUEIL-JCMHNJIXSA-N 0 0 445.519 5.250 50 0 IKAARN O=C1CS[C@@]2(SC(/C=C/c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 ZINC000008438004 556174371 /nfs/dbraw/zinc/17/43/71/556174371.db2.gz AXFALCCTGMJPEO-GQRCBVMOSA-N 0 0 429.570 5.658 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000008439118 556175145 /nfs/dbraw/zinc/17/51/45/556175145.db2.gz LCWIHIPJEVSMAY-UHFFFAOYSA-N 0 0 445.540 5.656 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)CC)CC4)cc1 ZINC000008439109 556175186 /nfs/dbraw/zinc/17/51/86/556175186.db2.gz HBTPLGQHXKIAEJ-QGZVFWFLSA-N 0 0 441.593 6.173 50 0 IKAARN Cc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2c1C(=O)OCc1ccccc1 ZINC000008439192 556175239 /nfs/dbraw/zinc/17/52/39/556175239.db2.gz MBXJDUNURJNKSO-UHFFFAOYSA-N 0 0 449.528 5.516 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc21 ZINC000008439229 556175404 /nfs/dbraw/zinc/17/54/04/556175404.db2.gz CWAVLVMRPKQQPS-UHFFFAOYSA-N 0 0 429.538 5.451 50 0 IKAARN CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 ZINC000008439626 556175762 /nfs/dbraw/zinc/17/57/62/556175762.db2.gz IUKUHUFJCVLPLJ-UHFFFAOYSA-N 0 0 427.551 5.043 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000008439911 556175811 /nfs/dbraw/zinc/17/58/11/556175811.db2.gz VQDJVPLDKUHNOL-YLJYHZDGSA-N 0 0 445.769 6.406 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3)oc2c(C)c1 ZINC000008440105 556176184 /nfs/dbraw/zinc/17/61/84/556176184.db2.gz ZFZCAKCOXXWOAQ-UHFFFAOYSA-N 0 0 448.522 6.943 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000008440048 556176216 /nfs/dbraw/zinc/17/62/16/556176216.db2.gz FNUPYSOLIIXTJQ-UHFFFAOYSA-N 0 0 448.013 5.799 50 0 IKAARN CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)cc1 ZINC000008440417 556176444 /nfs/dbraw/zinc/17/64/44/556176444.db2.gz VANHBMADIXCHBA-VHXPQNKSSA-N 0 0 441.622 5.205 50 0 IKAARN CNC(=O)/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)NC(=O)c1ccc(C)cc1 ZINC000008441264 556176752 /nfs/dbraw/zinc/17/67/52/556176752.db2.gz MTGMPPLNKMLINL-UNOMPAQXSA-N 0 0 429.303 5.079 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000008441563 556176809 /nfs/dbraw/zinc/17/68/09/556176809.db2.gz QGORPPLRKSEACI-IFMALSPDSA-N 0 0 447.724 7.028 50 0 IKAARN CC(C)[C@H]1CC[C@H](C)c2c(-c3cccc4ccccc43)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442248 556177115 /nfs/dbraw/zinc/17/71/15/556177115.db2.gz HDZWLZAXCRWLFQ-SXLMQBLVSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c(-c3cccc4ccccc43)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442247 556177138 /nfs/dbraw/zinc/17/71/38/556177138.db2.gz HDZWLZAXCRWLFQ-CFZJULNLSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@@H]1CC[C@H](C)c2c(-c3cccc4ccccc43)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442250 556177184 /nfs/dbraw/zinc/17/71/84/556177184.db2.gz HDZWLZAXCRWLFQ-WZRNGGFPSA-N 0 0 434.583 7.694 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 ZINC000008442772 556177734 /nfs/dbraw/zinc/17/77/34/556177734.db2.gz OONMABNCULGBQV-ZBFHGGJFSA-N 0 0 435.837 5.153 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 ZINC000008442771 556177767 /nfs/dbraw/zinc/17/77/67/556177767.db2.gz OONMABNCULGBQV-HOCLYGCPSA-N 0 0 435.837 5.153 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(C)c(C)c4)cs3)[C@H](c3ccco3)C2)cc1 ZINC000008443299 556178078 /nfs/dbraw/zinc/17/80/78/556178078.db2.gz HLPFCWGVNDBBLL-QHCPKHFHSA-N 0 0 429.545 6.384 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4)c3N2)cc1 ZINC000008444657 556179306 /nfs/dbraw/zinc/17/93/06/556179306.db2.gz HGPIEWULRCWKKL-MSOLQXFVSA-N 0 0 434.849 5.758 50 0 IKAARN O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000008445453 556179642 /nfs/dbraw/zinc/17/96/42/556179642.db2.gz TUSGTDYZJWDGQB-RUZDIDTESA-N 0 0 437.391 8.253 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H](C)c1ccccc1)CC[C@@H](C)C2 ZINC000008445622 556179859 /nfs/dbraw/zinc/17/98/59/556179859.db2.gz YDAXBNUJGDQMFF-AEFFLSMTSA-N 0 0 432.589 5.925 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@H](C)C2 ZINC000008445627 556179896 /nfs/dbraw/zinc/17/98/96/556179896.db2.gz VOTWFPMDYCKKCG-AWEZNQCLSA-N 0 0 438.980 6.339 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCCC3)cc1 ZINC000008445616 556179902 /nfs/dbraw/zinc/17/99/02/556179902.db2.gz JKMFCZPZZSCFBC-UHFFFAOYSA-N 0 0 448.588 5.849 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1ccco1 ZINC000008445907 556180170 /nfs/dbraw/zinc/18/01/70/556180170.db2.gz QXDFZFGQOFLUCJ-UHFFFAOYSA-N 0 0 430.323 5.466 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1cccs1 ZINC000008445908 556180173 /nfs/dbraw/zinc/18/01/73/556180173.db2.gz AMZWRWHAAQZKDW-UHFFFAOYSA-N 0 0 446.391 5.934 50 0 IKAARN O=C(c1oc2ccc(Cl)cc2c1-c1cnc2c(c1)COc1ccccc1-2)c1ccccc1 ZINC000008448330 556180416 /nfs/dbraw/zinc/18/04/16/556180416.db2.gz YNVVNBDLHADSHV-UHFFFAOYSA-N 0 0 437.882 6.939 50 0 IKAARN Cc1ccc2c(c1)-c1ncc(-c3c4cc(F)ccc4oc3C(=O)c3ccccc3)cc1CO2 ZINC000008448919 556180744 /nfs/dbraw/zinc/18/07/44/556180744.db2.gz YYXAVCKXARQLMV-UHFFFAOYSA-N 0 0 435.454 6.733 50 0 IKAARN O=c1c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2ncn1-c1ccccc1)CCC4 ZINC000008450772 556181604 /nfs/dbraw/zinc/18/16/04/556181604.db2.gz VNCXROFCOZEGQW-UHFFFAOYSA-N 0 0 429.932 5.805 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 ZINC000008450985 556181820 /nfs/dbraw/zinc/18/18/20/556181820.db2.gz KOJCITYQTOGCGM-UHFFFAOYSA-N 0 0 445.544 6.665 50 0 IKAARN Nc1c2ccc(C34CC5CC(CC(C5)C3)C4)nc2sc1C(=O)c1ccc2c(c1)OCO2 ZINC000008450983 556181876 /nfs/dbraw/zinc/18/18/76/556181876.db2.gz FPGBKRRLKZFWGB-UHFFFAOYSA-N 0 0 432.545 5.306 50 0 IKAARN CCCCN(C)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000008450978 556181879 /nfs/dbraw/zinc/18/18/79/556181879.db2.gz WTWBXCZHBDEENG-UHFFFAOYSA-N 0 0 432.593 5.994 50 0 IKAARN COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1-c1ccc(C)cc1)c(C)n2C ZINC000008450976 556181887 /nfs/dbraw/zinc/18/18/87/556181887.db2.gz FCDBSNBZGUXCOZ-JQIJEIRASA-N 0 0 435.527 5.673 50 0 IKAARN CC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 ZINC000008451237 556181900 /nfs/dbraw/zinc/18/19/00/556181900.db2.gz IOLIXEYVJVSRQJ-UHFFFAOYSA-N 0 0 436.543 6.594 50 0 IKAARN Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4cnc5ccccc5n4)c3)cc2)cc1 ZINC000008451518 556182234 /nfs/dbraw/zinc/18/22/34/556182234.db2.gz GNMXWJQSYHKWKN-UHFFFAOYSA-N 0 0 445.522 6.437 50 0 IKAARN O=C(c1ccccc1)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000008451919 556182460 /nfs/dbraw/zinc/18/24/60/556182460.db2.gz QJZWFJMXJOCATO-HHHXNRCGSA-N 0 0 436.942 7.253 50 0 IKAARN O=C(Cc1cccc2ccccc21)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000008452507 556182793 /nfs/dbraw/zinc/18/27/93/556182793.db2.gz FQCFUWMIOGZPKR-UHFFFAOYSA-N 0 0 442.946 5.647 50 0 IKAARN Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1 ZINC000008452479 556182800 /nfs/dbraw/zinc/18/28/00/556182800.db2.gz QEDVUOVQFIOMAF-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000008452549 556183041 /nfs/dbraw/zinc/18/30/41/556183041.db2.gz FSRNIIZPILEPMV-KRWDZBQOSA-N 0 0 449.934 5.880 50 0 IKAARN CCCc1sc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000008452661 556183073 /nfs/dbraw/zinc/18/30/73/556183073.db2.gz HXLBKBRXYAJLAN-UHFFFAOYSA-N 0 0 448.632 6.970 50 0 IKAARN CCOc1c(Br)cc(Br)cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000008452673 556183110 /nfs/dbraw/zinc/18/31/10/556183110.db2.gz YPAHUKQWICIZKY-VQHVLOKHSA-N 0 0 449.142 6.035 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCCc3ccccc3)c2)cc1 ZINC000008452588 556183183 /nfs/dbraw/zinc/18/31/83/556183183.db2.gz OYMOUJBGVBBOKX-UHFFFAOYSA-N 0 0 436.939 5.952 50 0 IKAARN CCCCCCN(CCCCCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000008452934 556183395 /nfs/dbraw/zinc/18/33/95/556183395.db2.gz KGMVOWPULAGJCV-VYIQYICTSA-N 0 0 445.651 7.201 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccc(Br)cc1-2 ZINC000008452905 556183403 /nfs/dbraw/zinc/18/34/03/556183403.db2.gz NKPNGJNKPVQRLM-QGZVFWFLSA-N 0 0 444.358 5.091 50 0 IKAARN CCCCCCOc1cc(Cc2nn[nH]n2)c(OCCCCCC)cc1Br ZINC000008452922 556183428 /nfs/dbraw/zinc/18/34/28/556183428.db2.gz WRINDNIDOXTAFA-UHFFFAOYSA-N 0 0 439.398 5.471 50 0 IKAARN O=C(Oc1ccc(Sc2ccc(OC(=O)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000008453362 556184346 /nfs/dbraw/zinc/18/43/46/556184346.db2.gz GGMAUJDGFIWMSH-UHFFFAOYSA-N 0 0 438.589 6.809 50 0 IKAARN Cc1nsc2nc3c(F)c(Oc4ccc5c(C)cc(=O)oc5c4)c(F)c(F)c3cc12 ZINC000008453518 556184368 /nfs/dbraw/zinc/18/43/68/556184368.db2.gz AMQQJLNVTLVMDB-UHFFFAOYSA-N 0 0 428.391 5.777 50 0 IKAARN C[C@H](Nc1c(F)c(F)c2nc3c(cc2c1F)c(-c1ccccc1)nn3C)c1ccccc1 ZINC000008453513 556184397 /nfs/dbraw/zinc/18/43/97/556184397.db2.gz DWBWXHPDPJXFIZ-AWEZNQCLSA-N 0 0 432.449 6.379 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000008453355 556184402 /nfs/dbraw/zinc/18/44/02/556184402.db2.gz NQTCSHCOVVSFKG-LBPRGKRZSA-N 0 0 441.163 5.488 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 ZINC000008453413 556184442 /nfs/dbraw/zinc/18/44/42/556184442.db2.gz PZWKYJOOUSYJIX-UHFFFAOYSA-N 0 0 448.613 6.114 50 0 IKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008454415 556185052 /nfs/dbraw/zinc/18/50/52/556185052.db2.gz KWRYMWRAPPCROJ-UHFFFAOYSA-N 0 0 446.422 6.400 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000008454595 556185241 /nfs/dbraw/zinc/18/52/41/556185241.db2.gz YNNOSFGADAACLH-UHFFFAOYSA-N 0 0 430.209 6.437 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)noc1C)CCCCCCCCCCC2 ZINC000008454839 556185267 /nfs/dbraw/zinc/18/52/67/556185267.db2.gz PZIPMINZCHTYDI-UHFFFAOYSA-N 0 0 446.613 6.391 50 0 IKAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)N1 ZINC000008455293 556185596 /nfs/dbraw/zinc/18/55/96/556185596.db2.gz OCLVLMAKOKRTDH-SFHVURJKSA-N 0 0 447.240 5.045 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(N(CC)CC)cc2)cc1 ZINC000008457091 556186294 /nfs/dbraw/zinc/18/62/94/556186294.db2.gz MXEXMLUQQJNCON-UHFFFAOYSA-N 0 0 438.616 5.517 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc31)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000008497886 556186899 /nfs/dbraw/zinc/18/68/99/556186899.db2.gz NEWZKXFPWSBRPF-IOXNAGQWSA-N 0 0 435.910 5.587 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1 ZINC000008589819 556188252 /nfs/dbraw/zinc/18/82/52/556188252.db2.gz GJMQVJNCGFWQGR-UHFFFAOYSA-N 0 0 443.890 6.672 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)N(C(C)=O)c1ccccc1-2 ZINC000008590425 556188599 /nfs/dbraw/zinc/18/85/99/556188599.db2.gz PFFQTDSBDVSHHQ-OAQYLSRUSA-N 0 0 440.594 5.635 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008589864 556188633 /nfs/dbraw/zinc/18/86/33/556188633.db2.gz ZATJMMZPGVDUOM-UHFFFAOYSA-N 0 0 437.443 6.017 50 0 IKAARN Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)c(Cl)c4)on3)n2)cc1 ZINC000008592812 556189249 /nfs/dbraw/zinc/18/92/49/556189249.db2.gz KFCAJULIVHXULV-UHFFFAOYSA-N 0 0 427.291 5.454 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000008592823 556189291 /nfs/dbraw/zinc/18/92/91/556189291.db2.gz BHJXIOQSTPBXGC-UHFFFAOYSA-N 0 0 448.500 5.508 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000008594115 556189625 /nfs/dbraw/zinc/18/96/25/556189625.db2.gz LHBZTVSZFKJJOO-SFHVURJKSA-N 0 0 447.531 5.021 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1noc3c1C[C@@H](C(C)(C)C)CC3)CCCC2 ZINC000008592915 556189635 /nfs/dbraw/zinc/18/96/35/556189635.db2.gz IQFHQUCEMLTHHH-ZDUSSCGKSA-N 0 0 430.570 5.195 50 0 IKAARN Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000008594225 556189665 /nfs/dbraw/zinc/18/96/65/556189665.db2.gz VYMGSOMBORWCQL-HXUWFJFHSA-N 0 0 445.559 5.769 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ccc(C(C)C)cc2)c1C ZINC000008604515 556191372 /nfs/dbraw/zinc/19/13/72/556191372.db2.gz QJNOMCNVOBMYIF-UHFFFAOYSA-N 0 0 432.564 6.101 50 0 IKAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008604628 556191384 /nfs/dbraw/zinc/19/13/84/556191384.db2.gz NNNUCECUGYVXIF-IBGZPJMESA-N 0 0 446.450 5.507 50 0 IKAARN COc1cc2nc(NC[C@H](C)c3ccccc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000008604973 556191592 /nfs/dbraw/zinc/19/15/92/556191592.db2.gz LPOINARSRQKTQR-KRWDZBQOSA-N 0 0 439.519 5.177 50 0 IKAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000008614881 556192234 /nfs/dbraw/zinc/19/22/34/556192234.db2.gz FANDAFKYZYOTTN-UHFFFAOYSA-N 0 0 427.895 6.313 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)N1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000008616588 556192647 /nfs/dbraw/zinc/19/26/47/556192647.db2.gz OCADFSGJIAWSLW-UHFFFAOYSA-N 0 0 447.193 6.040 50 0 IKAARN FC(F)(F)Oc1ccc(-c2ccc([C@@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 ZINC000008618292 556193260 /nfs/dbraw/zinc/19/32/60/556193260.db2.gz WMIKBLVFAABSSO-XMMPIXPASA-N 0 0 447.416 6.834 50 0 IKAARN Cc1nc2c(-c3ccc(Br)cc3)c(C(F)(F)F)nn2c(C)c1-c1ccccc1 ZINC000008618293 556193347 /nfs/dbraw/zinc/19/33/47/556193347.db2.gz NTIPJOKNEKKMGP-UHFFFAOYSA-N 0 0 446.270 6.461 50 0 IKAARN O=C(NCc1cccs1)c1c(F)cccc1NC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000008626549 556193586 /nfs/dbraw/zinc/19/35/86/556193586.db2.gz AHJODBIZQCIXIT-QFIPXVFZSA-N 0 0 436.552 5.730 50 0 IKAARN Cc1ccc(Sc2ncccc2C2=N/C(=C\c3ccc(C(F)(F)F)cc3)C(=O)O2)cc1 ZINC000008626800 556193911 /nfs/dbraw/zinc/19/39/11/556193911.db2.gz MSCXXNLIHRBCBI-UYRXBGFRSA-N 0 0 440.446 5.905 50 0 IKAARN O=C1OC(c2cccnc2Oc2ccc(Cl)cc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000008626796 556193920 /nfs/dbraw/zinc/19/39/20/556193920.db2.gz BOZKEKDRRACQOU-PDGQHHTCSA-N 0 0 444.796 5.891 50 0 IKAARN Cc1ccc(Sc2ccc(NC(=O)Nc3ccc(SC(F)(F)F)cc3)cn2)cc1 ZINC000008629402 556194180 /nfs/dbraw/zinc/19/41/80/556194180.db2.gz VACWOPDUWPDBSP-UHFFFAOYSA-N 0 0 435.496 6.797 50 0 IKAARN Fc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000008636955 556194981 /nfs/dbraw/zinc/19/49/81/556194981.db2.gz WGPFEDIIDVQNKT-GMAHTHKFSA-N 0 0 435.955 6.200 50 0 IKAARN CCc1c(C)sc(NC(=O)/C=C\c2ccc(Br)cc2)c1C(=O)OC(C)C ZINC000097427038 556195343 /nfs/dbraw/zinc/19/53/43/556195343.db2.gz GNLQAKMCEPPBHY-FLIBITNWSA-N 0 0 436.371 5.599 50 0 IKAARN O=C(COC(=O)c1cccc2cccc(Br)c21)c1ccc(Br)cc1 ZINC000008647919 556195632 /nfs/dbraw/zinc/19/56/32/556195632.db2.gz XGSDUTPKQIUXTO-UHFFFAOYSA-N 0 0 448.110 5.405 50 0 IKAARN O=C(NCc1ccc(Cl)cc1Cl)c1c(C(F)(F)F)ccnc1OCC(F)(F)F ZINC000008647718 556195702 /nfs/dbraw/zinc/19/57/02/556195702.db2.gz YEWYKROTEADBKG-UHFFFAOYSA-N 0 0 447.162 5.278 50 0 IKAARN Cc1c2nc(/C(=C/c3ccc(Cl)cc3)NC(=O)c3ccccc3)[nH]c2c(C)c(C)c1C ZINC000008648193 556195951 /nfs/dbraw/zinc/19/59/51/556195951.db2.gz KUEXEIDPNVCTKY-HMAPJEAMSA-N 0 0 429.951 6.378 50 0 IKAARN CCCCc1ccc(NC(=O)N=S2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000008648430 556195959 /nfs/dbraw/zinc/19/59/59/556195959.db2.gz NQXMPURFPAEQNB-UHFFFAOYSA-N 0 0 431.989 5.172 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000008648251 556196003 /nfs/dbraw/zinc/19/60/03/556196003.db2.gz CPUMPVIRPNTBDH-DGCLKSJQSA-N 0 0 437.968 5.262 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008648801 556196269 /nfs/dbraw/zinc/19/62/69/556196269.db2.gz XXCXIFXQDPJAFQ-UHFFFAOYSA-N 0 0 438.883 6.510 50 0 IKAARN FC(F)(F)Oc1ccc(N2C(=S)N=NC2CSCc2cccc3ccccc32)cc1 ZINC000008649216 556196610 /nfs/dbraw/zinc/19/66/10/556196610.db2.gz NYVIVKBLDRRZNS-UHFFFAOYSA-N 0 0 447.507 6.041 50 0 IKAARN Cc1ccc(NC(=S)NCC2CCC(CNC(=S)Nc3ccc(C)cc3)CC2)cc1 ZINC000008649434 556196613 /nfs/dbraw/zinc/19/66/13/556196613.db2.gz QJGFRHPOKORXMB-UHFFFAOYSA-N 0 0 440.682 5.383 50 0 IKAARN Cn1c(CSc2cc(C(F)(F)F)nc3ccccc32)nnc1SCc1ccccc1 ZINC000008649032 556196644 /nfs/dbraw/zinc/19/66/44/556196644.db2.gz DWMPNCRFPAGONS-UHFFFAOYSA-N 0 0 446.523 5.967 50 0 IKAARN Cc1nc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1Br ZINC000008664895 556197486 /nfs/dbraw/zinc/19/74/86/556197486.db2.gz DBKAUIYGVNNSIB-UHFFFAOYSA-N 0 0 435.277 5.178 50 0 aggregator IKAARN O=C(Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1F ZINC000008667084 556197863 /nfs/dbraw/zinc/19/78/63/556197863.db2.gz WUPNMIDCYDXGDJ-UHFFFAOYSA-N 0 0 435.458 5.852 50 0 aggregator IKAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c(C)c1 ZINC000008672676 556198557 /nfs/dbraw/zinc/19/85/57/556198557.db2.gz JHIPASCAAQGZNS-KRWDZBQOSA-N 0 0 444.815 5.025 50 0 IKAARN C[C@H](c1ccccc1)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)C(=O)c1ccco1 ZINC000008682751 556199297 /nfs/dbraw/zinc/19/92/97/556199297.db2.gz XQPMDJXRXKQOOF-RCXJIHSJSA-N 0 0 445.603 6.862 50 0 IKAARN CC1(C)C[C@H]([C@H](CCN(Cc2ccccc2)C(=O)c2ccco2)c2ccc(F)cc2)CCO1 ZINC000008687483 556200169 /nfs/dbraw/zinc/20/01/69/556200169.db2.gz ZPUAFDXIOKZSHO-ILBGXUMGSA-N 0 0 449.566 6.440 50 0 IKAARN CC1(C)C[C@H]([C@@H](CCN(Cc2ccccc2)C(=O)c2ccco2)c2ccc(F)cc2)CCO1 ZINC000008687481 556200257 /nfs/dbraw/zinc/20/02/57/556200257.db2.gz ZPUAFDXIOKZSHO-NOZRDPDXSA-N 0 0 449.566 6.440 50 0 IKAARN O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2Cl)c1Sc1nc2ccccc2[nH]1 ZINC000008691881 556200543 /nfs/dbraw/zinc/20/05/43/556200543.db2.gz WEQXLHDLICKEGR-UHFFFAOYSA-N 0 0 438.339 6.529 50 0 IKAARN COc1ccc(Nc2nnc(-c3ccccc3)c3ccccc32)cc1C(=O)N1CCCCC1 ZINC000008691979 556200550 /nfs/dbraw/zinc/20/05/50/556200550.db2.gz AHQKZBVUNTZNEQ-UHFFFAOYSA-N 0 0 438.531 5.675 50 0 IKAARN Cc1c(OCC(F)(F)F)ccnc1-c1sc(Nc2ccccc2)nc1-c1ccccc1 ZINC000008715596 556202004 /nfs/dbraw/zinc/20/20/04/556202004.db2.gz GFEWJZUUDLALNV-UHFFFAOYSA-N 0 0 441.478 6.865 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc(NC(=O)C(F)(F)F)c1C(=O)OC(C)C ZINC000008721325 556202764 /nfs/dbraw/zinc/20/27/64/556202764.db2.gz OMFHWXXNMSDPKU-UHFFFAOYSA-N 0 0 448.850 5.028 50 0 IKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccc(Cl)cc3Cl)nc2n1 ZINC000008733490 556204419 /nfs/dbraw/zinc/20/44/19/556204419.db2.gz ZJMBKUFYBQJEBN-UHFFFAOYSA-N 0 0 426.147 6.718 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(C)C)cc1 ZINC000008738058 556205157 /nfs/dbraw/zinc/20/51/57/556205157.db2.gz YIEYDJUCLNZISK-MOSHPQCFSA-N 0 0 443.330 5.421 50 0 IKAARN CCc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCCCO)cc1 ZINC000008739926 556206245 /nfs/dbraw/zinc/20/62/45/556206245.db2.gz GFCSJYUYDQNNSX-UHFFFAOYSA-N 0 0 435.571 6.472 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000008741958 556207402 /nfs/dbraw/zinc/20/74/02/556207402.db2.gz SWKOGHAUMVJPQW-UHFFFAOYSA-N 0 0 429.328 6.553 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c1 ZINC000008743328 556207696 /nfs/dbraw/zinc/20/76/96/556207696.db2.gz FALZVJTVHZYOMC-IFMALSPDSA-N 0 0 436.309 5.095 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2C(C)(C)C)cc1 ZINC000008743287 556207778 /nfs/dbraw/zinc/20/77/78/556207778.db2.gz MPRUCZIXUCLEKD-UHFFFAOYSA-N 0 0 428.532 5.449 50 0 IKAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000008743717 556208061 /nfs/dbraw/zinc/20/80/61/556208061.db2.gz VKVGQGZCUFWATF-AREMUKBSSA-N 0 0 437.543 5.236 50 0 IKAARN CC(=O)[C@@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccccc1 ZINC000008745765 556209472 /nfs/dbraw/zinc/20/94/72/556209472.db2.gz FYJVMTXWNGOQHJ-HSZRJFAPSA-N 0 0 433.508 5.408 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1 ZINC000008746521 556209674 /nfs/dbraw/zinc/20/96/74/556209674.db2.gz NXROUZBADIHNLT-FQEVSTJZSA-N 0 0 443.400 5.357 50 0 IKAARN O=C(Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1 ZINC000008757342 556211252 /nfs/dbraw/zinc/21/12/52/556211252.db2.gz GWODASBXLKJMSZ-UHFFFAOYSA-N 0 0 439.558 7.322 50 0 IKAARN COc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2CCOC(=O)c2ccccc2)cc1 ZINC000008765899 556212352 /nfs/dbraw/zinc/21/23/52/556212352.db2.gz LLKIWLMMKVRGMM-RQZHXJHFSA-N 0 0 444.556 5.623 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Br)cc1)O2 ZINC000008768436 556213036 /nfs/dbraw/zinc/21/30/36/556213036.db2.gz ONDZOWGGSNBILP-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000008768881 556213054 /nfs/dbraw/zinc/21/30/54/556213054.db2.gz WRGKUBYSRIUKFS-UHFFFAOYSA-N 0 0 431.923 5.214 50 0 IKAARN Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000008771223 556213612 /nfs/dbraw/zinc/21/36/12/556213612.db2.gz FPXPCILUEYYFDG-GHTZIAJQSA-N 0 0 425.351 6.061 50 0 IKAARN O=C1C[C@](/C=C\c2ccccc2)(Nc2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1 ZINC000097466848 556216462 /nfs/dbraw/zinc/21/64/62/556216462.db2.gz UCVYTLPMIOHMQG-IPYQYMIDSA-N 0 0 443.374 5.949 50 0 IKAARN S=c1n(CN2CC[C@@H](c3ccccc3)C2)nc(Cc2ccccc2)n1-c1ccccc1 ZINC000008815712 556217055 /nfs/dbraw/zinc/21/70/55/556217055.db2.gz YZOMUNVLYWOKIS-HSZRJFAPSA-N 0 0 426.589 5.441 50 0 IKAARN Cc1ccc(-c2nn(CN3CC[C@@H](c4ccccc4)C3)c(=S)n2-c2ccccc2)cc1 ZINC000008815708 556217125 /nfs/dbraw/zinc/21/71/25/556217125.db2.gz QRACEEYNLCOODE-HSZRJFAPSA-N 0 0 426.589 5.826 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)cc3)sc2c1 ZINC000008816111 556217458 /nfs/dbraw/zinc/21/74/58/556217458.db2.gz ZEHVOUWRQKVBJK-QGZVFWFLSA-N 0 0 445.519 5.402 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc3c(c1)oc1ccccc13)C1c3ccccc3C2c2ccccc21 ZINC000008826512 556224238 /nfs/dbraw/zinc/22/42/38/556224238.db2.gz BJEMYNBCKODLSS-XQOSCOKLSA-N 0 0 441.486 5.983 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc(OC)c1OC ZINC000008830816 556225148 /nfs/dbraw/zinc/22/51/48/556225148.db2.gz BTBXWTAJWTZTOP-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000008829917 556225185 /nfs/dbraw/zinc/22/51/85/556225185.db2.gz KFNHMGQTOQVWQC-UHFFFAOYSA-N 0 0 448.994 5.235 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCC[C@H]4c4cccnc4)c3n2)cc1 ZINC000008846740 556227160 /nfs/dbraw/zinc/22/71/60/556227160.db2.gz DJZIRNQKTPTATA-NRFANRHFSA-N 0 0 447.489 5.405 50 0 IKAARN CC1(C)C[C@@H](NC(=S)Nc2ccccc2)C[C@@](C)(CNC(=S)Nc2ccccc2)C1 ZINC000008846827 556227178 /nfs/dbraw/zinc/22/71/78/556227178.db2.gz LOOAQHXYFFVKPS-HYBUGGRVSA-N 0 0 440.682 5.545 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1 ZINC000008855048 556227443 /nfs/dbraw/zinc/22/74/43/556227443.db2.gz YMCKRMGZRYPPHL-UHFFFAOYSA-N 0 0 436.536 6.452 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000008857515 556227694 /nfs/dbraw/zinc/22/76/94/556227694.db2.gz QJQBZOSRVYFMPP-UHFFFAOYSA-N 0 0 432.854 6.449 50 0 IKAARN O=C(Oc1ccc(Br)cc1)c1nc(SCc2ccccc2)ncc1Cl ZINC000008868245 556228715 /nfs/dbraw/zinc/22/87/15/556228715.db2.gz NFKHYABTXKRPIW-UHFFFAOYSA-N 0 0 435.730 5.404 50 0 IKAARN C[C@H](CNC(=O)/C=C/c1cccc2ccccc12)NC(=O)/C=C/c1cccc2ccccc12 ZINC000008873616 556230251 /nfs/dbraw/zinc/23/02/51/556230251.db2.gz FMKMLZUQCBYAAV-YWTYIKLYSA-N 0 0 434.539 5.341 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccc([C@@H](C)CC)cc3)s2)cc1 ZINC000008919775 556233192 /nfs/dbraw/zinc/23/31/92/556233192.db2.gz PBLFNJXRFKONOW-HNNXBMFYSA-N 0 0 426.542 5.673 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000008919333 556233200 /nfs/dbraw/zinc/23/32/00/556233200.db2.gz UUBOSYHNAGEJLB-UHFFFAOYSA-N 0 0 434.564 7.042 50 0 IKAARN Cc1ccc(CN2c3ccc(Br)cc3[C@@](O)(c3c[nH]c4ccccc43)C2=O)cc1 ZINC000008923744 556234016 /nfs/dbraw/zinc/23/40/16/556234016.db2.gz MDAMXHMDIYRBNY-XMMPIXPASA-N 0 0 447.332 5.022 50 0 IKAARN Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)c1 ZINC000008927851 556235078 /nfs/dbraw/zinc/23/50/78/556235078.db2.gz VLNDCTCZMZEZTG-QHCPKHFHSA-N 0 0 425.937 5.026 50 0 IKAARN CCOc1c(Br)cc(CN[C@@H](C)c2ccccc2Br)cc1OC ZINC000022777548 556237227 /nfs/dbraw/zinc/23/72/27/556237227.db2.gz QWHCTNOFCVIMMU-LBPRGKRZSA-N 0 0 443.179 5.470 50 0 IKAARN Cc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)sc2c1 ZINC000008974968 556238030 /nfs/dbraw/zinc/23/80/30/556238030.db2.gz SDFMFOPFEYMGPC-NRFANRHFSA-N 0 0 445.544 5.081 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 ZINC000009010047 556240514 /nfs/dbraw/zinc/24/05/14/556240514.db2.gz VWGFRNWGKATMMI-UHFFFAOYSA-N 0 0 446.532 5.196 50 0 IKAARN COc1cc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc(OC)c1OC ZINC000009010431 556240907 /nfs/dbraw/zinc/24/09/07/556240907.db2.gz XLJKJGNUAHXXRC-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c(C)c1 ZINC000009030825 556241648 /nfs/dbraw/zinc/24/16/48/556241648.db2.gz VSUOZQVRBQBLPX-UHFFFAOYSA-N 0 0 434.609 5.722 50 0 IKAARN O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000009028755 556241717 /nfs/dbraw/zinc/24/17/17/556241717.db2.gz KIKVWYPSSDMATP-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000009043076 556242348 /nfs/dbraw/zinc/24/23/48/556242348.db2.gz IDRFIYHBCPGZLG-FXAWDEMLSA-N 0 0 429.701 5.938 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccccc3[C@H](C)CC)s2)cc1 ZINC000009043787 556242351 /nfs/dbraw/zinc/24/23/51/556242351.db2.gz WUZRXOILBRLCRP-OAHLLOKOSA-N 0 0 426.542 5.673 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccccc3[C@@H](C)CC)s2)cc1 ZINC000009043795 556242363 /nfs/dbraw/zinc/24/23/63/556242363.db2.gz WUZRXOILBRLCRP-HNNXBMFYSA-N 0 0 426.542 5.673 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000009057010 556243045 /nfs/dbraw/zinc/24/30/45/556243045.db2.gz MIPNVFAJZXAGSV-REWPJTCUSA-N 0 0 435.321 5.700 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1cc(OC)ccc1OC ZINC000009046730 556243081 /nfs/dbraw/zinc/24/30/81/556243081.db2.gz LHRRKFRMDRKNHW-HSZRJFAPSA-N 0 0 435.501 6.641 50 0 IKAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000009056931 556243221 /nfs/dbraw/zinc/24/32/21/556243221.db2.gz CECBTHPEGCKCLS-UHFFFAOYSA-N 0 0 443.834 5.052 50 0 IKAARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)c2ccc(F)cc2)c1-c1nc2ccccc2[nH]1 ZINC000009060440 556243895 /nfs/dbraw/zinc/24/38/95/556243895.db2.gz HXRKPYXTLYZXLZ-LJQANCHMSA-N 0 0 432.499 5.219 50 0 IKAARN c1ccc([C@@H]2c3c4nc(-c5ccccn5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000009109294 556247477 /nfs/dbraw/zinc/24/74/77/556247477.db2.gz NZBYWUOOQBVPKT-QFIPXVFZSA-N 0 0 427.467 5.625 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000009130452 556248802 /nfs/dbraw/zinc/24/88/02/556248802.db2.gz HOMSYNIYTSGPER-UHFFFAOYSA-N 0 0 425.897 5.283 50 0 IKAARN Cc1ccccc1-n1c(=O)c2cc(Br)ccc2nc1/C=C/c1ccccc1O ZINC000009136314 556249214 /nfs/dbraw/zinc/24/92/14/556249214.db2.gz VWTKWIPZKCSGRJ-JLHYYAGUSA-N 0 0 433.305 5.333 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Br)ccc3O)oc2c(C)c1 ZINC000009135192 556249281 /nfs/dbraw/zinc/24/92/81/556249281.db2.gz OEZDFAXBNVUDJT-UHFFFAOYSA-N 0 0 437.293 5.832 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000009144514 556249305 /nfs/dbraw/zinc/24/93/05/556249305.db2.gz HFKGOJRFXHNEIA-HNNXBMFYSA-N 0 0 441.314 5.777 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1 ZINC000009189845 556252617 /nfs/dbraw/zinc/25/26/17/556252617.db2.gz LJVOMCSJDKCGGD-UHFFFAOYSA-N 0 0 442.603 7.337 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1Cl ZINC000009190441 556252859 /nfs/dbraw/zinc/25/28/59/556252859.db2.gz RYWKDGPAZOJUEE-UHFFFAOYSA-N 0 0 434.967 7.002 50 0 IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000009190455 556252902 /nfs/dbraw/zinc/25/29/02/556252902.db2.gz RWVXDIVSBZZHTG-CYBMUJFWSA-N 0 0 442.302 5.911 50 0 IKAARN CCCC[C@@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000009202284 556257645 /nfs/dbraw/zinc/25/76/45/556257645.db2.gz XQGRIDCFNNLIAB-KRWDZBQOSA-N 0 0 439.726 5.440 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009210096 556257672 /nfs/dbraw/zinc/25/76/72/556257672.db2.gz BISSNWOBCOYNKF-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccc(F)cc1)[C@H]3c1ccc(C)cc1 ZINC000009224577 556258290 /nfs/dbraw/zinc/25/82/90/556258290.db2.gz KQCRQSBULFKCOX-SANMLTNESA-N 0 0 443.522 5.481 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCCc1ccccc1)[C@H]3c1ccc(C)cc1 ZINC000009224575 556258299 /nfs/dbraw/zinc/25/82/99/556258299.db2.gz HFSCSJUSLMITMU-MHZLTWQESA-N 0 0 439.559 5.385 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccc(C)cc1)[C@H]3c1ccc(C)cc1 ZINC000009224572 556258395 /nfs/dbraw/zinc/25/83/95/556258395.db2.gz GKKVEFROMQKIER-MHZLTWQESA-N 0 0 439.559 5.651 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NCCC(C)C)cc1 ZINC000009224547 556258399 /nfs/dbraw/zinc/25/83/99/556258399.db2.gz OACABUAXWBHJSL-HSZRJFAPSA-N 0 0 425.960 5.533 50 0 IKAARN Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009225076 556259010 /nfs/dbraw/zinc/25/90/10/556259010.db2.gz SKGFKPIMQNFZLX-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000009225615 556259520 /nfs/dbraw/zinc/25/95/20/556259520.db2.gz BTMAHEUWUBKJOD-VWLOTQADSA-N 0 0 448.975 5.436 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000009225625 556259538 /nfs/dbraw/zinc/25/95/38/556259538.db2.gz GIWIJHITQRGHSK-XMMPIXPASA-N 0 0 434.948 5.128 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000009225703 556259539 /nfs/dbraw/zinc/25/95/39/556259539.db2.gz JTQUOGAJTHJQPJ-AREMUKBSSA-N 0 0 446.547 5.429 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1C ZINC000009225611 556259544 /nfs/dbraw/zinc/25/95/44/556259544.db2.gz OZLDAJDGPXNNLL-VWLOTQADSA-N 0 0 448.975 5.436 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000009225636 556259546 /nfs/dbraw/zinc/25/95/46/556259546.db2.gz YBVRGQFBUQNCNF-RUZDIDTESA-N 0 0 448.975 5.382 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000009225621 556259553 /nfs/dbraw/zinc/25/95/53/556259553.db2.gz QCLVFNCQHFCBSS-XMMPIXPASA-N 0 0 434.948 5.128 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)c(C)c4)cc3n2)cc1 ZINC000009226818 556260381 /nfs/dbraw/zinc/26/03/81/556260381.db2.gz DHKHUDCKYMPEFC-UHFFFAOYSA-N 0 0 442.563 5.706 50 0 IKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000009226643 556260393 /nfs/dbraw/zinc/26/03/93/556260393.db2.gz ZLXXQCLAHCOGDP-UHFFFAOYSA-N 0 0 442.607 6.397 50 0 IKAARN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc2cccnc21 ZINC000009226388 556260422 /nfs/dbraw/zinc/26/04/22/556260422.db2.gz FJOJFENIYOUNLT-UHFFFAOYSA-N 0 0 436.103 5.021 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c(C)c1 ZINC000009233219 556261978 /nfs/dbraw/zinc/26/19/78/556261978.db2.gz TUWKVCRSBOOTLV-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Clc1ccc(-n2c(COc3ccccc3)nnc2SCc2nc3ccccc3[nH]2)cc1 ZINC000009243016 556266690 /nfs/dbraw/zinc/26/66/90/556266690.db2.gz HXNCQQUCUOQNCQ-UHFFFAOYSA-N 0 0 447.951 5.668 50 0 IKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)cc1C ZINC000009243390 556266951 /nfs/dbraw/zinc/26/69/51/556266951.db2.gz DOTYCLSFTPYXFA-DEOSSOPVSA-N 0 0 444.922 5.193 50 0 IKAARN COc1cccc2cc(-c3nnc(SCc4ccc(Br)cc4)n3C)oc21 ZINC000009261547 556269217 /nfs/dbraw/zinc/26/92/17/556269217.db2.gz AENWRQPVAMTKIH-UHFFFAOYSA-N 0 0 430.327 5.292 50 0 IKAARN O=C1N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1F ZINC000009262363 556269496 /nfs/dbraw/zinc/26/94/96/556269496.db2.gz MKHYVKIEMDUQDD-WOJGMQOQSA-N 0 0 430.357 5.197 50 0 IKAARN CCCCSc1nnc(NC(=O)CSc2nc3cc(Cl)ccc3s2)s1 ZINC000009288408 556272773 /nfs/dbraw/zinc/27/27/73/556272773.db2.gz QMCIUVIEJCGCAJ-UHFFFAOYSA-N 0 0 431.033 5.424 50 0 IKAARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000009288249 556272845 /nfs/dbraw/zinc/27/28/45/556272845.db2.gz DFOJDZAHRWXKCR-HSZRJFAPSA-N 0 0 428.467 5.112 50 0 IKAARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000009288251 556272854 /nfs/dbraw/zinc/27/28/54/556272854.db2.gz TZYXSTYPPMOHEX-HSZRJFAPSA-N 0 0 428.467 5.112 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2)cc1 ZINC000009288280 556272861 /nfs/dbraw/zinc/27/28/61/556272861.db2.gz SFMZJYQOUBPSJW-HSZRJFAPSA-N 0 0 428.467 5.112 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2Cl)cc1 ZINC000009288534 556273110 /nfs/dbraw/zinc/27/31/10/556273110.db2.gz DVRRUPPGPNKHGX-HSZRJFAPSA-N 0 0 428.923 5.926 50 0 IKAARN Nc1ccccc1-c1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@H]3c1cccnc1 ZINC000009302896 556275912 /nfs/dbraw/zinc/27/59/12/556275912.db2.gz FFDHLPRSWVQKEG-JOCHJYFZSA-N 0 0 442.482 5.208 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000009307101 556276912 /nfs/dbraw/zinc/27/69/12/556276912.db2.gz PWMVKSMWFUOOTF-SFHVURJKSA-N 0 0 443.576 5.574 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccc(C)c2)cc1 ZINC000009307146 556277174 /nfs/dbraw/zinc/27/71/74/556277174.db2.gz HUICQDRCQAJEAI-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1Cl ZINC000009307425 556277191 /nfs/dbraw/zinc/27/71/91/556277191.db2.gz ORVYBFPVRNHZKI-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccccc2)cc1 ZINC000009307299 556277194 /nfs/dbraw/zinc/27/71/94/556277194.db2.gz RFEIZFZOKLHPFQ-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000009307457 556277239 /nfs/dbraw/zinc/27/72/39/556277239.db2.gz HNPYDHXCKQHFCF-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000009307963 556277490 /nfs/dbraw/zinc/27/74/90/556277490.db2.gz PZNFHMAPLPKCEG-UHFFFAOYSA-N 0 0 444.560 5.372 50 0 IKAARN COc1ccccc1-c1nnc(SCc2cc(C)ccc2C)n1-c1ccc(Cl)cc1 ZINC000009308302 556277844 /nfs/dbraw/zinc/27/78/44/556277844.db2.gz NWNKISOJNWMINQ-UHFFFAOYSA-N 0 0 435.980 6.505 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 ZINC000009308099 556277874 /nfs/dbraw/zinc/27/78/74/556277874.db2.gz ADSMTWWHBXIHLL-UHFFFAOYSA-N 0 0 442.588 6.097 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 ZINC000009308926 556277883 /nfs/dbraw/zinc/27/78/83/556277883.db2.gz NYHCCZSDNDMRAU-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2cccc(OC)c2)cc1 ZINC000009308914 556277890 /nfs/dbraw/zinc/27/78/90/556277890.db2.gz VHARIECNFMWNDC-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN O=c1c2c3c(sc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000013688529 556278088 /nfs/dbraw/zinc/27/80/88/556278088.db2.gz QOTRVCHPUPYHOQ-UHFFFAOYSA-N 0 0 443.355 5.058 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccccc2)cc1 ZINC000009309012 556278204 /nfs/dbraw/zinc/27/82/04/556278204.db2.gz XVMCQPVKZJWZDX-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000009309074 556278233 /nfs/dbraw/zinc/27/82/33/556278233.db2.gz WPHFTWLHLOSSSL-UHFFFAOYSA-N 0 0 448.035 7.486 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000009308998 556278243 /nfs/dbraw/zinc/27/82/43/556278243.db2.gz YHABRGPIDYDMIT-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000009308985 556278249 /nfs/dbraw/zinc/27/82/49/556278249.db2.gz OXZWOHVFDRJCCA-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 ZINC000013688659 556278323 /nfs/dbraw/zinc/27/83/23/556278323.db2.gz ZSRXPABIJYQWFB-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2-c2ccccc2)cc1 ZINC000009309427 556278516 /nfs/dbraw/zinc/27/85/16/556278516.db2.gz HNYVJWPGDIBHAM-UHFFFAOYSA-N 0 0 443.576 5.040 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000009309227 556278549 /nfs/dbraw/zinc/27/85/49/556278549.db2.gz ACMGWCNRVCGBEY-UHFFFAOYSA-N 0 0 428.561 5.536 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc3C)c(=O)[nH]c2c1 ZINC000013689177 556278661 /nfs/dbraw/zinc/27/86/61/556278661.db2.gz IOVCPHQPVYTVQS-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013691384 556280620 /nfs/dbraw/zinc/28/06/20/556280620.db2.gz VACLIHJRSNGDEA-UHFFFAOYSA-N 0 0 447.387 5.170 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000032731039 556283290 /nfs/dbraw/zinc/28/32/90/556283290.db2.gz YYCULOFHNOJFNF-UHFFFAOYSA-N 0 0 445.494 5.506 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1cccnc1)occ3-c1ccc(F)cc1 ZINC000009340127 556283458 /nfs/dbraw/zinc/28/34/58/556283458.db2.gz MIMISNLPDYDIBC-UHFFFAOYSA-N 0 0 428.419 5.230 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 ZINC000009353385 556284433 /nfs/dbraw/zinc/28/44/33/556284433.db2.gz ORGSOCJWVBIQQH-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccccc1Cl ZINC000009356187 556285079 /nfs/dbraw/zinc/28/50/79/556285079.db2.gz HAKSTJVBPGRNDJ-UHFFFAOYSA-N 0 0 436.733 5.573 50 0 IKAARN CSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=N2)c2ccccc2O[C@H]1c1ccccc1 ZINC000013712747 556285101 /nfs/dbraw/zinc/28/51/01/556285101.db2.gz KQEXPQCLPQQHQR-PKTZIBPZSA-N 0 0 442.519 5.699 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000009371668 556286364 /nfs/dbraw/zinc/28/63/64/556286364.db2.gz CDWCIJCYXBABAZ-MBSDFSHPSA-N 0 0 433.479 5.002 50 0 IKAARN Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(C)c(C)c2)cc1 ZINC000009371642 556286388 /nfs/dbraw/zinc/28/63/88/556286388.db2.gz NUPJWEZNROVKQJ-DEOSSOPVSA-N 0 0 429.516 5.091 50 0 IKAARN CCOc1cc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc(OCC)c1OCC ZINC000009382113 556287053 /nfs/dbraw/zinc/28/70/53/556287053.db2.gz SOKOIKYRKXKMBH-UHFFFAOYSA-N 0 0 436.552 5.173 50 0 IKAARN Cc1c(C(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c2ccccc2n1C ZINC000009382954 556287522 /nfs/dbraw/zinc/28/75/22/556287522.db2.gz IHSJSGQITVDQBI-UHFFFAOYSA-N 0 0 439.540 5.893 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000009410376 556288100 /nfs/dbraw/zinc/28/81/00/556288100.db2.gz BGTQDQSOFJSZIH-HIFRSBDPSA-N 0 0 428.773 5.181 50 0 IKAARN CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc1 ZINC000009410687 556288411 /nfs/dbraw/zinc/28/84/11/556288411.db2.gz SRUJEYYOENSBBW-ZWKOTPCHSA-N 0 0 434.487 5.097 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009419091 556289150 /nfs/dbraw/zinc/28/91/50/556289150.db2.gz KZDAAUSHMJOFKY-FQEVSTJZSA-N 0 0 431.879 5.139 50 0 IKAARN O=C(COc1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000009425963 556289891 /nfs/dbraw/zinc/28/98/91/556289891.db2.gz YTHQDTBJIDFMDB-UHFFFAOYSA-N 0 0 426.255 5.056 50 0 IKAARN Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000009425016 556289903 /nfs/dbraw/zinc/28/99/03/556289903.db2.gz BYXVIWDRDHBPGW-UHFFFAOYSA-N 0 0 431.952 6.065 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000009425508 556289976 /nfs/dbraw/zinc/28/99/76/556289976.db2.gz JKSGOXSPQZYELQ-UHFFFAOYSA-N 0 0 427.662 5.792 50 0 IKAARN CCC(CC)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000009426177 556290189 /nfs/dbraw/zinc/29/01/89/556290189.db2.gz IGMUFDZKOQXWFM-UHFFFAOYSA-N 0 0 428.488 5.654 50 0 IKAARN O=C(Nc1nnc(CCCc2ccccc2)s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000009426492 556290234 /nfs/dbraw/zinc/29/02/34/556290234.db2.gz YZCWALNUPJHFJK-UHFFFAOYSA-N 0 0 442.544 5.218 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2cc1C ZINC000009426108 556290296 /nfs/dbraw/zinc/29/02/96/556290296.db2.gz QLLXJTNNMZESCH-WYMLVPIESA-N 0 0 434.495 7.024 50 0 IKAARN CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000009427037 556290623 /nfs/dbraw/zinc/29/06/23/556290623.db2.gz QUKAYONYRVXMGK-UHFFFAOYSA-N 0 0 427.298 5.212 50 0 IKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000009427305 556290847 /nfs/dbraw/zinc/29/08/47/556290847.db2.gz FMQRFYIBVSQAIH-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN c1ccc2c(c1)ccc1c2Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1cccnc1 ZINC000009433859 556291269 /nfs/dbraw/zinc/29/12/69/556291269.db2.gz DQYLFUCOTFKMJI-OAQYLSRUSA-N 0 0 428.455 5.020 50 0 IKAARN CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000009435344 556291556 /nfs/dbraw/zinc/29/15/56/556291556.db2.gz HYOJTPLWOVFZPH-RTWAWAEBSA-N 0 0 442.485 5.378 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009479162 556293753 /nfs/dbraw/zinc/29/37/53/556293753.db2.gz FWFPKEBFAJRBOA-UHFFFAOYSA-N 0 0 444.604 6.147 50 0 IKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000009480096 556293912 /nfs/dbraw/zinc/29/39/12/556293912.db2.gz JAGGECVOGQWLBR-UHFFFAOYSA-N 0 0 428.772 6.130 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(Cl)cc4)C32)cc1 ZINC000009495830 556294891 /nfs/dbraw/zinc/29/48/91/556294891.db2.gz ZHUAVJIBMUZNCL-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN COc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2Cc2ccco2)c1 ZINC000009497465 556295184 /nfs/dbraw/zinc/29/51/84/556295184.db2.gz KHYURDPFFWNAIM-UHFFFAOYSA-N 0 0 446.359 6.194 50 0 IKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000009499671 556295521 /nfs/dbraw/zinc/29/55/21/556295521.db2.gz GRCRXTRQUPASOG-UHFFFAOYSA-N 0 0 427.879 5.842 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000009499382 556295591 /nfs/dbraw/zinc/29/55/91/556295591.db2.gz OUEJMPYCMFCUKQ-UHFFFAOYSA-N 0 0 436.507 5.824 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1nc2ccccc2s1 ZINC000009510563 556295878 /nfs/dbraw/zinc/29/58/78/556295878.db2.gz ZGBMKTLCPDWCLX-HXUWFJFHSA-N 0 0 428.444 5.292 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)Nc2ccc(Cn3ccnc3)cc2)c1 ZINC000009526057 556296964 /nfs/dbraw/zinc/29/69/64/556296964.db2.gz AGZPYKPZKVXPRR-UHFFFAOYSA-N 0 0 439.559 6.195 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(COCC(F)(F)C(F)F)cc2)cc1 ZINC000009526083 556297048 /nfs/dbraw/zinc/29/70/48/556297048.db2.gz BTHHBBQURPMXRC-UHFFFAOYSA-N 0 0 433.467 5.202 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000009559797 556298277 /nfs/dbraw/zinc/29/82/77/556298277.db2.gz VAHBVODPVHQBIS-KRWDZBQOSA-N 0 0 437.923 5.357 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000013752326 556299776 /nfs/dbraw/zinc/29/97/76/556299776.db2.gz JDQHBPWQKKQQIU-UGSOOPFHSA-N 0 0 448.589 5.029 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(c1c(C)[nH]c2ccccc21)c1c(C)[nH]c2ccccc21 ZINC000013756042 556300428 /nfs/dbraw/zinc/30/04/28/556300428.db2.gz ICJAMRCCHOGEAU-UHFFFAOYSA-N 0 0 449.381 7.762 50 0 IKAARN O=C(NCCNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cc2ccccc2o1 ZINC000009576814 556300447 /nfs/dbraw/zinc/30/04/47/556300447.db2.gz CHOSJQQWXSGQFR-UHFFFAOYSA-N 0 0 433.316 5.114 50 0 IKAARN Cc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc1-c1ccc(Cl)cc1 ZINC000009581719 556300748 /nfs/dbraw/zinc/30/07/48/556300748.db2.gz WVOKBPWDDYPWBN-MRXNPFEDSA-N 0 0 425.941 5.072 50 0 IKAARN CCc1cccc2c(C(C(=O)c3ccc(OC)cc3)c3c[nH]c4c3cccc4CC)c[nH]c21 ZINC000009594176 556301441 /nfs/dbraw/zinc/30/14/41/556301441.db2.gz FIRFJPYAWYAHHG-UHFFFAOYSA-N 0 0 436.555 6.797 50 0 IKAARN Clc1ccccc1-c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 ZINC000009593069 556301469 /nfs/dbraw/zinc/30/14/69/556301469.db2.gz FYDFIXKGEYGTDK-YADARESESA-N 0 0 432.932 6.904 50 0 IKAARN Clc1ccc(-c2ccc([C@@H]3Oc4ccccc4[C@H]4CC(c5cccs5)=NN43)o2)cc1 ZINC000009593066 556301488 /nfs/dbraw/zinc/30/14/88/556301488.db2.gz KWFMTDGEKLYMFB-DVECYGJZSA-N 0 0 432.932 6.904 50 0 IKAARN N=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1 ZINC000013759267 556301490 /nfs/dbraw/zinc/30/14/90/556301490.db2.gz MVKUKLGZBHSCFG-GHSFWCQGSA-N 0 0 446.384 6.096 50 0 IKAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 ZINC000013758934 556301493 /nfs/dbraw/zinc/30/14/93/556301493.db2.gz UUDQEAVGXKAQMJ-IBGZPJMESA-N 0 0 444.245 5.577 50 0 IKAARN CCCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)cs/c1=N\c1ccccc1 ZINC000013759182 556301539 /nfs/dbraw/zinc/30/15/39/556301539.db2.gz WPHZLCMUENEMIP-VHXPQNKSSA-N 0 0 443.638 5.280 50 0 IKAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3cc4ccccc4o3)n2C(C)C)sc1C ZINC000009595097 556301751 /nfs/dbraw/zinc/30/17/51/556301751.db2.gz OVIOOICEMHHKHQ-AWEZNQCLSA-N 0 0 441.582 5.465 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1noc2c1CCCCC2 ZINC000009597919 556302154 /nfs/dbraw/zinc/30/21/54/556302154.db2.gz MPGIWBFXRCZBKM-UHFFFAOYSA-N 0 0 433.339 5.364 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(C(F)(F)F)cc3C3CC3)n2)cc1 ZINC000009597972 556302180 /nfs/dbraw/zinc/30/21/80/556302180.db2.gz XOWVUKAUILGZQL-UHFFFAOYSA-N 0 0 428.336 5.253 50 0 IKAARN Cc1cc(C)cc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000009601483 556302407 /nfs/dbraw/zinc/30/24/07/556302407.db2.gz MSALXXUOCVYTMS-UHFFFAOYSA-N 0 0 430.617 5.648 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000009600918 556302437 /nfs/dbraw/zinc/30/24/37/556302437.db2.gz NBAXVZLVEBDJEJ-WIYYLYMNSA-N 0 0 425.351 6.061 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1c(OC)ccc3ccccc31)Nc1ccccc1-2 ZINC000009600921 556302447 /nfs/dbraw/zinc/30/24/47/556302447.db2.gz FBZLUDFNVBSBLW-QHCPKHFHSA-N 0 0 444.560 6.096 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1c(OC)ccc3ccccc31)Nc1ccccc1-2 ZINC000009600923 556302455 /nfs/dbraw/zinc/30/24/55/556302455.db2.gz FBZLUDFNVBSBLW-HSZRJFAPSA-N 0 0 444.560 6.096 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccc(Br)cc1-2 ZINC000009601884 556302750 /nfs/dbraw/zinc/30/27/50/556302750.db2.gz XKXNAOPVRDQGGR-KRWDZBQOSA-N 0 0 447.358 5.680 50 0 IKAARN Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1F ZINC000009606411 556302977 /nfs/dbraw/zinc/30/29/77/556302977.db2.gz AHYBOYAIXOFAQI-FQEVSTJZSA-N 0 0 429.829 6.317 50 0 IKAARN Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000009606491 556302986 /nfs/dbraw/zinc/30/29/86/556302986.db2.gz FATPFCKTVSKHMW-FQEVSTJZSA-N 0 0 428.294 6.692 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000009606496 556303070 /nfs/dbraw/zinc/30/30/70/556303070.db2.gz FATPFCKTVSKHMW-HXUWFJFHSA-N 0 0 428.294 6.692 50 0 IKAARN Cc1cc(C)cc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000009607355 556303314 /nfs/dbraw/zinc/30/33/14/556303314.db2.gz WAGZEBFNQLOINK-OAQYLSRUSA-N 0 0 432.911 5.918 50 0 IKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nc4sc5c(c4c(N)n3)CC[C@H](C)C5)o2)cc1 ZINC000032741639 556303369 /nfs/dbraw/zinc/30/33/69/556303369.db2.gz OFZISRUMFTVDHP-QWHCGFSZSA-N 0 0 437.594 5.610 50 0 IKAARN CCOc1ccccc1NC(=O)N(CC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009607034 556303381 /nfs/dbraw/zinc/30/33/81/556303381.db2.gz XVGWVOQXAPOCGV-UHFFFAOYSA-N 0 0 446.370 6.030 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000009607393 556303535 /nfs/dbraw/zinc/30/35/35/556303535.db2.gz JKNYSLNVOFGIFN-IBGZPJMESA-N 0 0 439.302 5.955 50 0 IKAARN CCOc1cc(C(=O)NC[C@@H](c2ccccc2)C2CCCCC2)cc(OCC)c1OCC ZINC000009614367 556303584 /nfs/dbraw/zinc/30/35/84/556303584.db2.gz NWGYMBAIIKEDTI-QHCPKHFHSA-N 0 0 439.596 5.977 50 0 IKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000009659516 556304297 /nfs/dbraw/zinc/30/42/97/556304297.db2.gz YMIXQBLXCNXVTD-UHFFFAOYSA-N 0 0 432.936 6.158 50 0 IKAARN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(Br)c1 ZINC000009635873 556304343 /nfs/dbraw/zinc/30/43/43/556304343.db2.gz HPGOREKOPLRYAZ-UHFFFAOYSA-N 0 0 437.765 5.337 50 0 IKAARN CCc1ccccc1NC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661648 556304596 /nfs/dbraw/zinc/30/45/96/556304596.db2.gz YTPQDIJAINLAAY-UHFFFAOYSA-N 0 0 448.526 5.002 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000013769411 556304658 /nfs/dbraw/zinc/30/46/58/556304658.db2.gz GJMCKONYJBLBDT-PXDATVDWSA-N 0 0 432.545 5.668 50 0 IKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCCC)cc4)cc3n2)cc1 ZINC000009667270 556304928 /nfs/dbraw/zinc/30/49/28/556304928.db2.gz PGLHJKFJSCIADW-UHFFFAOYSA-N 0 0 442.563 6.113 50 0 IKAARN Brc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013770286 556304956 /nfs/dbraw/zinc/30/49/56/556304956.db2.gz GVRVYQAAZNPRCM-AUSIDOKSSA-N 0 0 449.304 5.420 50 0 IKAARN Cc1ccccc1-c1nnc(-c2cccc(NC(=O)c3ccccc3Br)c2)o1 ZINC000009668166 556305134 /nfs/dbraw/zinc/30/51/34/556305134.db2.gz ARNWAJZXPLANAS-UHFFFAOYSA-N 0 0 434.293 5.727 50 0 IKAARN Cc1ccccc1-c1nnc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)o1 ZINC000009668167 556305247 /nfs/dbraw/zinc/30/52/47/556305247.db2.gz AFBABDQIGVCVIB-UHFFFAOYSA-N 0 0 434.293 5.727 50 0 IKAARN Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc(C)c1Cl ZINC000009669088 556305502 /nfs/dbraw/zinc/30/55/02/556305502.db2.gz VPMMRQRVXPVOAA-UHFFFAOYSA-N 0 0 440.893 5.983 50 0 IKAARN COc1cc(NC(C)=O)c([C@H](c2ccc(C)o2)c2cccc(Br)c2)cc1OC ZINC000013773787 556306208 /nfs/dbraw/zinc/30/62/08/556306208.db2.gz ZNRDOAGWDOFPPY-JOCHJYFZSA-N 0 0 444.325 5.506 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000013776331 556307279 /nfs/dbraw/zinc/30/72/79/556307279.db2.gz ARXVVWFRTPQISB-QHCPKHFHSA-N 0 0 433.548 5.451 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O ZINC000013777530 556307745 /nfs/dbraw/zinc/30/77/45/556307745.db2.gz AMHAXGJIKOJMKU-XMMPIXPASA-N 0 0 441.527 6.046 50 0 IKAARN CSc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1 ZINC000013778076 556307904 /nfs/dbraw/zinc/30/79/04/556307904.db2.gz RXIZSCQLCKFSKA-HPNDGRJYSA-N 0 0 440.593 7.486 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3)nc2c1 ZINC000009762195 556308230 /nfs/dbraw/zinc/30/82/30/556308230.db2.gz BFVMNRFVDBUTTR-UHFFFAOYSA-N 0 0 440.543 6.868 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000009761187 556308337 /nfs/dbraw/zinc/30/83/37/556308337.db2.gz KRLXZDPDHYZJAH-XMMPIXPASA-N 0 0 447.966 7.267 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013785828 556308838 /nfs/dbraw/zinc/30/88/38/556308838.db2.gz IWCNNYJWSBHTAW-BKUYFWCQSA-N 0 0 434.278 6.751 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccc(OC2CCCC2)cc1 ZINC000009804776 556308965 /nfs/dbraw/zinc/30/89/65/556308965.db2.gz NPLYEPAJXOSFAF-UHFFFAOYSA-N 0 0 434.583 7.768 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Br)C(C)(C)C)cc2c1 ZINC000013788081 556309446 /nfs/dbraw/zinc/30/94/46/556309446.db2.gz QKQNLJKRPBGZBY-UHFFFAOYSA-N 0 0 427.342 5.040 50 0 IKAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1 ZINC000013787138 556309544 /nfs/dbraw/zinc/30/95/44/556309544.db2.gz OPJXHXUZVYBJKL-JOCHJYFZSA-N 0 0 436.471 5.100 50 0 IKAARN CCCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 ZINC000013800521 556310178 /nfs/dbraw/zinc/31/01/78/556310178.db2.gz JANMUDHLMUTNAY-LNVKXUELSA-N 0 0 431.399 6.410 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000009830250 556310349 /nfs/dbraw/zinc/31/03/49/556310349.db2.gz XGYZOTYUCZUENV-QHCPKHFHSA-N 0 0 430.548 5.142 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccc(Cl)c(Cl)c1 ZINC000009831048 556312305 /nfs/dbraw/zinc/31/23/05/556312305.db2.gz SPPRFVAJHWEFPD-UHFFFAOYSA-N 0 0 445.371 6.415 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccccc2C(C)C)cc1 ZINC000013811518 556312556 /nfs/dbraw/zinc/31/25/56/556312556.db2.gz HWVLIAOUZFWRSX-UHFFFAOYSA-N 0 0 442.559 6.055 50 0 IKAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NC3CCC(C)CC3)n2n1 ZINC000009831121 556312773 /nfs/dbraw/zinc/31/27/73/556312773.db2.gz BOUDAJBVLTZNBA-UHFFFAOYSA-N 0 0 439.567 5.169 50 0 IKAARN Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 ZINC000013813587 556313374 /nfs/dbraw/zinc/31/33/74/556313374.db2.gz PZLPXIVALIBXDY-UHFFFAOYSA-N 0 0 443.934 5.730 50 0 IKAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000009846532 556313545 /nfs/dbraw/zinc/31/35/45/556313545.db2.gz MLEGCRXYRUQWQE-HSZRJFAPSA-N 0 0 433.552 5.056 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)sc2c1 ZINC000009849662 556313955 /nfs/dbraw/zinc/31/39/55/556313955.db2.gz IQOMQJIFFGKSSW-CMDGGOBGSA-N 0 0 446.597 6.596 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1OC ZINC000009886323 556314977 /nfs/dbraw/zinc/31/49/77/556314977.db2.gz BWYLGUXVGJLYSZ-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN CC(C)(C)c1csc(-c2ccc(OCC(=O)Nc3ccccc3OC(F)F)cc2)n1 ZINC000032745476 556315255 /nfs/dbraw/zinc/31/52/55/556315255.db2.gz ZXCVCNZIEQFSCV-UHFFFAOYSA-N 0 0 432.492 5.727 50 0 IKAARN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000009892107 556315335 /nfs/dbraw/zinc/31/53/35/556315335.db2.gz ODSCSZPHUXTEKF-GOSISDBHSA-N 0 0 442.515 6.423 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(C(=O)c2ccccc2)c1 ZINC000013839313 556317526 /nfs/dbraw/zinc/31/75/26/556317526.db2.gz JPCTYTZNBDYDFE-UHFFFAOYSA-N 0 0 444.712 5.594 50 0 IKAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)nn12 ZINC000009934572 556318336 /nfs/dbraw/zinc/31/83/36/556318336.db2.gz RAJSTXNBSHBLNE-UHFFFAOYSA-N 0 0 449.923 5.005 50 0 IKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c3ccccc3[nH]c2-c2ccc(F)cc2)o1 ZINC000013844906 556318776 /nfs/dbraw/zinc/31/87/76/556318776.db2.gz FDAMQIBNKRQROZ-MHZLTWQESA-N 0 0 436.486 6.621 50 0 IKAARN COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000013845278 556318843 /nfs/dbraw/zinc/31/88/43/556318843.db2.gz PMTPRWKFDZDBSC-UHFFFAOYSA-N 0 0 436.733 5.573 50 0 IKAARN CCOc1cc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)ccc1OCc1ccc(F)cc1 ZINC000009968715 556318927 /nfs/dbraw/zinc/31/89/27/556318927.db2.gz MDZXTIGAGVBTGF-WEVVVXLNSA-N 0 0 434.389 5.076 50 0 IKAARN CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000009968790 556318974 /nfs/dbraw/zinc/31/89/74/556318974.db2.gz MIEZCHLPGAAJAO-HSZRJFAPSA-N 0 0 426.545 5.607 50 0 IKAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCC)cc1 ZINC000009971363 556319292 /nfs/dbraw/zinc/31/92/92/556319292.db2.gz XRCNNBSBTSBEDN-UHFFFAOYSA-N 0 0 448.654 5.642 50 0 IKAARN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000013847493 556319383 /nfs/dbraw/zinc/31/93/83/556319383.db2.gz RVOCDRSXBRZPCR-UHFFFAOYSA-N 0 0 442.968 5.192 50 0 IKAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)Nc1cccc(F)c1 ZINC000009972179 556319421 /nfs/dbraw/zinc/31/94/21/556319421.db2.gz NEOBNYUSSOYSDO-UHFFFAOYSA-N 0 0 438.911 5.718 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc(OC)c1OC ZINC000009972142 556319529 /nfs/dbraw/zinc/31/95/29/556319529.db2.gz QGIHQWABIXVQTP-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1Cl ZINC000009993499 556320121 /nfs/dbraw/zinc/32/01/21/556320121.db2.gz VEZVWFAFLZTRKM-UHFFFAOYSA-N 0 0 441.314 6.761 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013856279 556320765 /nfs/dbraw/zinc/32/07/65/556320765.db2.gz CPEJBYHCPHZXLI-UHFFFAOYSA-N 0 0 446.878 5.283 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)c2)c1 ZINC000010013426 556322319 /nfs/dbraw/zinc/32/23/19/556322319.db2.gz SVMDQINZSBDPFD-UHFFFAOYSA-N 0 0 447.494 5.722 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000010013004 556322375 /nfs/dbraw/zinc/32/23/75/556322375.db2.gz FUCJKHJINIJPOC-UHFFFAOYSA-N 0 0 434.495 6.274 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3n2)cc1 ZINC000010035126 556322685 /nfs/dbraw/zinc/32/26/85/556322685.db2.gz GZNPBSYZXMJREE-UHFFFAOYSA-N 0 0 440.547 5.794 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1OC ZINC000032753508 556322875 /nfs/dbraw/zinc/32/28/75/556322875.db2.gz NHYWAZZCCMCPIT-UHFFFAOYSA-N 0 0 437.874 5.154 50 0 IKAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000032753562 556322914 /nfs/dbraw/zinc/32/29/14/556322914.db2.gz JUWHHUNNVMPZMG-UHFFFAOYSA-N 0 0 440.418 5.032 50 0 IKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@@H](C)c4cc5ccccc5o4)cc3)o2)c1 ZINC000032753973 556323073 /nfs/dbraw/zinc/32/30/73/556323073.db2.gz GTSATMOZQKIYIY-SFHVURJKSA-N 0 0 437.499 6.291 50 0 IKAARN COc1ccc(CN(CCc2c[nH]c3ccc(OC)cc23)C(=O)Nc2ccccc2)cc1 ZINC000010059080 556323700 /nfs/dbraw/zinc/32/37/00/556323700.db2.gz JOCDOKGRQATWGL-UHFFFAOYSA-N 0 0 429.520 5.462 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000010058804 556323722 /nfs/dbraw/zinc/32/37/22/556323722.db2.gz AZTUWJJPTYTFCS-JOCHJYFZSA-N 0 0 446.355 5.105 50 0 IKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Oc1ccc2cc(Br)ccc2c1 ZINC000032754531 556323718 /nfs/dbraw/zinc/32/37/18/556323718.db2.gz AAMNJBMYBUQFMM-GOSISDBHSA-N 0 0 428.307 5.011 50 0 IKAARN Cc1ccccc1OCc1nnc(SCc2nc(-c3ccco3)no2)n1-c1ccccc1 ZINC000032754537 556323742 /nfs/dbraw/zinc/32/37/42/556323742.db2.gz WWBGKZHQXGQAQV-UHFFFAOYSA-N 0 0 445.504 5.090 50 0 IKAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Oc1ccc2cc(Br)ccc2c1 ZINC000032754530 556323760 /nfs/dbraw/zinc/32/37/60/556323760.db2.gz AAMNJBMYBUQFMM-SFHVURJKSA-N 0 0 428.307 5.011 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)nn12 ZINC000010059506 556324102 /nfs/dbraw/zinc/32/41/02/556324102.db2.gz IHPKNROLMQMJBQ-UHFFFAOYSA-N 0 0 435.553 5.011 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)cc1 ZINC000010060197 556324484 /nfs/dbraw/zinc/32/44/84/556324484.db2.gz YCWCSZLREMFZBB-QHCPKHFHSA-N 0 0 428.467 5.112 50 0 IKAARN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 ZINC000010060182 556324488 /nfs/dbraw/zinc/32/44/88/556324488.db2.gz HUKQQKNFGQFDTI-VWLOTQADSA-N 0 0 438.531 5.671 50 0 IKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)cc1 ZINC000010060198 556324633 /nfs/dbraw/zinc/32/46/33/556324633.db2.gz YCWCSZLREMFZBB-HSZRJFAPSA-N 0 0 428.467 5.112 50 0 IKAARN CCc1sc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)nc1-c1ccccc1 ZINC000010060206 556324738 /nfs/dbraw/zinc/32/47/38/556324738.db2.gz IVLPTWLUXBEZFM-UHFFFAOYSA-N 0 0 429.929 5.245 50 0 IKAARN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccc3ccccc3c1)C[C@H]2c1ccccc1 ZINC000010075173 556325012 /nfs/dbraw/zinc/32/50/12/556325012.db2.gz YJRLGWRRPQLLGY-MHZLTWQESA-N 0 0 447.969 7.779 50 0 IKAARN CCC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)s1 ZINC000013880091 556325367 /nfs/dbraw/zinc/32/53/67/556325367.db2.gz MDVDFCULDPXJJV-UHFFFAOYSA-N 0 0 426.567 5.048 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013880269 556325678 /nfs/dbraw/zinc/32/56/78/556325678.db2.gz ZOPQAWKSNZSXHV-UHFFFAOYSA-N 0 0 436.024 5.752 50 0 IKAARN CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 ZINC000013880429 556325724 /nfs/dbraw/zinc/32/57/24/556325724.db2.gz UHFDTQBWPCLBNC-UHFFFAOYSA-N 0 0 433.002 5.116 50 0 IKAARN CCc1ccccc1[C@H](CC(=O)OC)N[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000013892882 556326853 /nfs/dbraw/zinc/32/68/53/556326853.db2.gz VIRAINOWLHFODO-RVXRHLIJSA-N 0 0 448.607 5.422 50 0 IKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 ZINC000013893404 556327555 /nfs/dbraw/zinc/32/75/55/556327555.db2.gz NTUUEGNLHWOMJX-IADCTJSHSA-N 0 0 432.567 7.001 50 0 IKAARN O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)NCCc1ccccc1 ZINC000013893967 556328220 /nfs/dbraw/zinc/32/82/20/556328220.db2.gz CVCUWWYRXVNNLL-UHFFFAOYSA-N 0 0 440.568 5.569 50 0 IKAARN O=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000013894860 556328566 /nfs/dbraw/zinc/32/85/66/556328566.db2.gz FXYFOXSVKKSPPA-LPYMAVHISA-N 0 0 436.870 5.151 50 0 IKAARN COc1ccc(OCCOc2cc(C)cc(C)c2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000013895603 556328913 /nfs/dbraw/zinc/32/89/13/556328913.db2.gz VJPPTRVOEOXTRO-JJIBRWJFSA-N 0 0 443.499 5.114 50 0 IKAARN COc1ccc(OCCOc2ccc(Cl)cc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000013898157 556330141 /nfs/dbraw/zinc/33/01/41/556330141.db2.gz PXMBUXYLXUZMNC-CJLVFECKSA-N 0 0 449.890 5.151 50 0 IKAARN Cc1ccccc1CSCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013899001 556330797 /nfs/dbraw/zinc/33/07/97/556330797.db2.gz YDQHEENCFYTWHZ-UHFFFAOYSA-N 0 0 442.049 6.604 50 0 IKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013899280 556330864 /nfs/dbraw/zinc/33/08/64/556330864.db2.gz XNFRWRXQCCHLLO-LBPRGKRZSA-N 0 0 434.841 6.177 50 0 IKAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000013898934 556330965 /nfs/dbraw/zinc/33/09/65/556330965.db2.gz ITLPRBJYZZCIBW-SXGWCWSVSA-N 0 0 436.352 5.366 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013899522 556331150 /nfs/dbraw/zinc/33/11/50/556331150.db2.gz HUCVOIHLCXYNBV-HMAPJEAMSA-N 0 0 431.463 5.456 50 0 IKAARN CCOc1cc(C(=O)OCc2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000013914866 556332198 /nfs/dbraw/zinc/33/21/98/556332198.db2.gz ATKDLWHPYZOJOO-UHFFFAOYSA-N 0 0 441.321 5.784 50 0 IKAARN COc1cc(C(=O)Oc2ccc(C3SCCS3)cc2)cc(OC)c1Br ZINC000032768262 556333150 /nfs/dbraw/zinc/33/31/50/556333150.db2.gz MUOMNAWEVVSKOV-UHFFFAOYSA-N 0 0 441.368 5.164 50 0 IKAARN O=C(Cn1ncc(=O)c2ccccc21)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000032768254 556333305 /nfs/dbraw/zinc/33/33/05/556333305.db2.gz IMRVYSULRURMOI-UHFFFAOYSA-N 0 0 440.286 5.134 50 0 IKAARN CCCc1ccc([C@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000032768919 556333529 /nfs/dbraw/zinc/33/35/29/556333529.db2.gz UTIFTKLWLQWRDO-HSZRJFAPSA-N 0 0 425.960 5.789 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000013924052 556333882 /nfs/dbraw/zinc/33/38/82/556333882.db2.gz XNNWAKOXNSZWDS-MOSHPQCFSA-N 0 0 447.874 5.221 50 0 IKAARN COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)ccc1OCc1csc(C)n1 ZINC000032769203 556334120 /nfs/dbraw/zinc/33/41/20/556334120.db2.gz JGQCRIWPWYVZEZ-HNNXBMFYSA-N 0 0 440.590 5.570 50 0 IKAARN CC(C)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(C)C)cc4)cc3)cc2)cc1 ZINC000003073669 556335220 /nfs/dbraw/zinc/33/52/20/556335220.db2.gz KAGKHRIAXNNABP-UHFFFAOYSA-N 0 0 446.590 8.365 50 0 IKAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c(C)c1 ZINC000013936286 556336346 /nfs/dbraw/zinc/33/63/46/556336346.db2.gz NLSBEHCHTPSJNV-UHFFFAOYSA-N 0 0 425.579 5.222 50 0 IKAARN O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000013940162 556337584 /nfs/dbraw/zinc/33/75/84/556337584.db2.gz MXBSDJPVHLIVGD-UHFFFAOYSA-N 0 0 446.959 6.502 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc(-c5ccccc5Cl)o4)[nH]c(=O)c23)C1 ZINC000013941839 556338930 /nfs/dbraw/zinc/33/89/30/556338930.db2.gz OWDIWCMLJNWJJP-CYBMUJFWSA-N 0 0 438.980 6.716 50 0 IKAARN O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1 ZINC000013942326 556339331 /nfs/dbraw/zinc/33/93/31/556339331.db2.gz BREBHAMOAQDITI-UHFFFAOYSA-N 0 0 433.298 5.545 50 0 IKAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)c3ccccc3n2C)cc1 ZINC000013942418 556339682 /nfs/dbraw/zinc/33/96/82/556339682.db2.gz CXFNAUQDRCHVEY-RBTNQOKQSA-N 0 0 436.555 5.878 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1C[C@@H]1CCCO1 ZINC000013942453 556339686 /nfs/dbraw/zinc/33/96/86/556339686.db2.gz UPSRTAGRGBASRX-SIBVEZHUSA-N 0 0 426.491 5.698 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1-c1ccc(F)cc1 ZINC000013942469 556339720 /nfs/dbraw/zinc/33/97/20/556339720.db2.gz VDXSXCLKNDTBPO-DCFHFQCYSA-N 0 0 440.518 5.709 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1-c1ccc(F)cc1 ZINC000013942473 556339729 /nfs/dbraw/zinc/33/97/29/556339729.db2.gz VDXSXCLKNDTBPO-HRFSGMKKSA-N 0 0 440.518 5.709 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)c1-c1ccccc1 ZINC000013942402 556339772 /nfs/dbraw/zinc/33/97/72/556339772.db2.gz PAGSPVYSBQZNIL-LJAQVGFWSA-N 0 0 446.525 6.730 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 ZINC000013942730 556340053 /nfs/dbraw/zinc/34/00/53/556340053.db2.gz PVGNHLSZDKOIGN-AFMDSPMNSA-N 0 0 442.946 6.213 50 0 IKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000013942739 556340371 /nfs/dbraw/zinc/34/03/71/556340371.db2.gz FFAPZPDSURTCFJ-GFCCVEGCSA-N 0 0 434.841 6.177 50 0 IKAARN O=c1[nH]c(-c2cc(Cl)ccc2OCc2ccccc2F)nc2sc3c(c21)CCCC3 ZINC000013943163 556340667 /nfs/dbraw/zinc/34/06/67/556340667.db2.gz HOFISIZQZUNSPZ-UHFFFAOYSA-N 0 0 440.927 5.902 50 0 IKAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3C3CCCCC3)c3ccccc3n2C)cc1 ZINC000013943808 556341010 /nfs/dbraw/zinc/34/10/10/556341010.db2.gz AGGKHIVKVGCKLU-LJAQVGFWSA-N 0 0 434.583 7.032 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(F)cc1 ZINC000013945794 556343041 /nfs/dbraw/zinc/34/30/41/556343041.db2.gz WPXMWRNWUMIBTE-RUZDIDTESA-N 0 0 427.479 5.189 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(F)cc1 ZINC000013945795 556343049 /nfs/dbraw/zinc/34/30/49/556343049.db2.gz WPXMWRNWUMIBTE-VWLOTQADSA-N 0 0 427.479 5.189 50 0 IKAARN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000013946066 556343367 /nfs/dbraw/zinc/34/33/67/556343367.db2.gz SERLQXIMHXTFJK-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccccc1Cl ZINC000013946073 556343391 /nfs/dbraw/zinc/34/33/91/556343391.db2.gz HXHJQDONTVMNNP-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)oc2c1 ZINC000013946095 556343397 /nfs/dbraw/zinc/34/33/97/556343397.db2.gz WLIACCSKSKHAQM-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000013946080 556343421 /nfs/dbraw/zinc/34/34/21/556343421.db2.gz GSCFNCUVAKCDIU-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)nc2c1 ZINC000013946084 556343437 /nfs/dbraw/zinc/34/34/37/556343437.db2.gz NUMDVCYZULEBHV-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1Cl ZINC000013946364 556343759 /nfs/dbraw/zinc/34/37/59/556343759.db2.gz NUEWKQKXNBURAR-UHFFFAOYSA-N 0 0 446.721 6.451 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000013954876 556344520 /nfs/dbraw/zinc/34/45/20/556344520.db2.gz XOXRHCBKJNECNA-INIZCTEOSA-N 0 0 434.923 6.679 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)nc2c1 ZINC000013954882 556344528 /nfs/dbraw/zinc/34/45/28/556344528.db2.gz BVPRCHSEEBEXMM-KRWDZBQOSA-N 0 0 428.532 6.643 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000013954873 556344530 /nfs/dbraw/zinc/34/45/30/556344530.db2.gz XOXRHCBKJNECNA-MRXNPFEDSA-N 0 0 434.923 6.679 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000013954931 556344550 /nfs/dbraw/zinc/34/45/50/556344550.db2.gz ZIKSASCGUAVXCZ-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN CCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21 ZINC000013955539 556344791 /nfs/dbraw/zinc/34/47/91/556344791.db2.gz LJBYWYWIOGJJHK-DWXRJYCRSA-N 0 0 431.580 5.497 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000013955583 556344837 /nfs/dbraw/zinc/34/48/37/556344837.db2.gz VFRCBCKRGZLQNR-MYUZEXMDSA-N 0 0 437.543 5.289 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N[C@H](C)c1ccccc1 ZINC000013955577 556344884 /nfs/dbraw/zinc/34/48/84/556344884.db2.gz VFRCBCKRGZLQNR-DNOBIOAJSA-N 0 0 437.543 5.289 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1sc3nc(C)cc(C)c3c1N)C[C@H](C)CC2 ZINC000013959802 556346676 /nfs/dbraw/zinc/34/66/76/556346676.db2.gz XVYCRZSYTRKLPC-SNVBAGLBSA-N 0 0 443.594 5.111 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000013959923 556346742 /nfs/dbraw/zinc/34/67/42/556346742.db2.gz VTIKPKGIKVZYAM-UHFFFAOYSA-N 0 0 441.575 5.909 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)cc2o1 ZINC000011692367 556346925 /nfs/dbraw/zinc/34/69/25/556346925.db2.gz WSCVIKSWYVFQGC-UHFFFAOYSA-N 0 0 431.702 6.999 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cnn(COc2ccc(Br)cc2)c1 ZINC000013960098 556347021 /nfs/dbraw/zinc/34/70/21/556347021.db2.gz GHDDDSQXGVTZBK-UHFFFAOYSA-N 0 0 444.373 5.227 50 0 IKAARN O=C(NCc1scnc1-c1ccccc1)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000011704985 556347198 /nfs/dbraw/zinc/34/71/98/556347198.db2.gz UZEIILCDDSHHAT-UHFFFAOYSA-N 0 0 425.513 5.472 50 0 IKAARN COC(=O)c1ccc(OCc2ccc(C(=O)NC3CCCCCCCCCCC3)o2)cc1 ZINC000013960306 556347560 /nfs/dbraw/zinc/34/75/60/556347560.db2.gz OXHPHGBSNUJFLD-UHFFFAOYSA-N 0 0 441.568 6.048 50 0 IKAARN CC[C@@H](NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000013960304 556347612 /nfs/dbraw/zinc/34/76/12/556347612.db2.gz NNRFQKFHLQOXTL-YSRWDZFWSA-N 0 0 441.999 6.545 50 0 IKAARN O=C(CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000011709075 556347773 /nfs/dbraw/zinc/34/77/73/556347773.db2.gz SYDMDINRFYZSDA-MHZLTWQESA-N 0 0 444.481 5.583 50 0 IKAARN O=C(CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000011709086 556347778 /nfs/dbraw/zinc/34/77/78/556347778.db2.gz SYDMDINRFYZSDA-HHHXNRCGSA-N 0 0 444.481 5.583 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc(Cl)cc3Cl)n2)cc1C ZINC000013960621 556347997 /nfs/dbraw/zinc/34/79/97/556347997.db2.gz BVXBJCCCHMKKLX-UHFFFAOYSA-N 0 0 435.398 7.806 50 0 IKAARN Cc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000013960647 556348027 /nfs/dbraw/zinc/34/80/27/556348027.db2.gz OEQQLQKDIFTCEU-UHFFFAOYSA-N 0 0 435.340 6.784 50 0 IKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000013960805 556348295 /nfs/dbraw/zinc/34/82/95/556348295.db2.gz BAIUEBJUAMTDRG-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN FC(F)(F)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000013960885 556348308 /nfs/dbraw/zinc/34/83/08/556348308.db2.gz GUDRPENVPJUGCO-UHFFFAOYSA-N 0 0 437.509 6.785 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000013960787 556348378 /nfs/dbraw/zinc/34/83/78/556348378.db2.gz WQGJDBLBYMWOGJ-UHFFFAOYSA-N 0 0 444.531 5.858 50 0 IKAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000011717504 556348510 /nfs/dbraw/zinc/34/85/10/556348510.db2.gz ZHRCWVXWRJFYFZ-NRFANRHFSA-N 0 0 442.950 5.199 50 0 IKAARN O=C([C@@H]1CC(c2cccc(Br)c2)=NO1)N(Cc1ccccc1)c1ccccc1 ZINC000013961062 556348695 /nfs/dbraw/zinc/34/86/95/556348695.db2.gz PKUKIWYYVDBZKN-QFIPXVFZSA-N 0 0 435.321 5.176 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000013961183 556348915 /nfs/dbraw/zinc/34/89/15/556348915.db2.gz BMBPVYFEFOIJKJ-UHFFFAOYSA-N 0 0 439.821 6.151 50 0 IKAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cn4cc(Cl)cn4)cc3)c12 ZINC000013961448 556348940 /nfs/dbraw/zinc/34/89/40/556348940.db2.gz QMPCBBDCJBZULD-UHFFFAOYSA-N 0 0 448.958 5.349 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cn3)c12 ZINC000013961302 556348952 /nfs/dbraw/zinc/34/89/52/556348952.db2.gz XLQOBSCUWZBRQZ-UHFFFAOYSA-N 0 0 448.324 5.016 50 0 IKAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cc(C2CC2)on1 ZINC000011763306 556349362 /nfs/dbraw/zinc/34/93/62/556349362.db2.gz JTAPTQFCENYWQU-VWLOTQADSA-N 0 0 427.504 5.220 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)NC2CCCCC2)cc1 ZINC000013961573 556349403 /nfs/dbraw/zinc/34/94/03/556349403.db2.gz WMDNSHPZBWROQF-VWLOTQADSA-N 0 0 433.552 5.175 50 0 IKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032781518 556349642 /nfs/dbraw/zinc/34/96/42/556349642.db2.gz NQXKJJFYBYKYAW-OAQYLSRUSA-N 0 0 442.993 5.378 50 0 IKAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC000011771004 556350009 /nfs/dbraw/zinc/35/00/09/556350009.db2.gz ULAJOPYZCLBTSY-HSZRJFAPSA-N 0 0 427.500 5.417 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC(C)C)C(=O)CC(C)(C)C)o1 ZINC000004490554 556350019 /nfs/dbraw/zinc/35/00/19/556350019.db2.gz HPEPOOBXKSZJNL-UHFFFAOYSA-N 0 0 426.601 5.080 50 0 IKAARN COc1ccc2[nH]c(C(=O)N3CCC[C@H](C(=O)c4cccc(OC(C)C)c4)C3)c(C)c2c1 ZINC000011771894 556350177 /nfs/dbraw/zinc/35/01/77/556350177.db2.gz YHUIMXMPMFODAE-IBGZPJMESA-N 0 0 434.536 5.007 50 0 IKAARN COc1ccccc1CNc1nc(C)c(-c2ccn(CCCc3cccc(C)n3)n2)s1 ZINC000011783778 556352094 /nfs/dbraw/zinc/35/20/94/556352094.db2.gz BPOHAZFXFIWZMH-UHFFFAOYSA-N 0 0 433.581 5.272 50 0 IKAARN CC(C)c1ccc([C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)c2cccs2)cc1 ZINC000032779039 556352099 /nfs/dbraw/zinc/35/20/99/556352099.db2.gz BZHOCPJNIKSOII-HSZRJFAPSA-N 0 0 441.980 5.840 50 0 IKAARN COc1ccc([C@H](NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2ccccc2)cc1 ZINC000013987178 556352204 /nfs/dbraw/zinc/35/22/04/556352204.db2.gz JTODAUCUKQYSJN-AREMUKBSSA-N 0 0 442.515 5.398 50 0 IKAARN CSc1ccccc1C(=O)NC[C@@H]1Cc2cc(C)cc(-c3cc(C(C)=O)ccc3F)c2O1 ZINC000011784404 556352504 /nfs/dbraw/zinc/35/25/04/556352504.db2.gz KMEOHWLBZWSQCX-IBGZPJMESA-N 0 0 449.547 5.459 50 0 IKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C ZINC000013994325 556353327 /nfs/dbraw/zinc/35/33/27/556353327.db2.gz NJFUIAOBBSJDIZ-BGYRXZFFSA-N 0 0 432.520 5.115 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc(-c3ccsc3)no1)CC2 ZINC000014014193 556355159 /nfs/dbraw/zinc/35/51/59/556355159.db2.gz IVZLMKDJORIDPN-OAQYLSRUSA-N 0 0 439.562 5.025 50 0 IKAARN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011813182 556356330 /nfs/dbraw/zinc/35/63/30/556356330.db2.gz HWMKBZUTJUTXCY-QGZVFWFLSA-N 0 0 428.410 5.096 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 ZINC000014025121 556357488 /nfs/dbraw/zinc/35/74/88/556357488.db2.gz CXFPJVZGEIOXAC-PSWAGMNNSA-N 0 0 432.520 5.279 50 0 IKAARN C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000059926449 556358500 /nfs/dbraw/zinc/35/85/00/556358500.db2.gz MIXVIDNUADHURX-QGZVFWFLSA-N 0 0 428.552 5.444 50 0 IKAARN C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000059926443 556358553 /nfs/dbraw/zinc/35/85/53/556358553.db2.gz MIXVIDNUADHURX-KRWDZBQOSA-N 0 0 428.552 5.444 50 0 IKAARN Cc1cccc2nc(C(=O)N3CCC[C@H](C(=O)c4ccc(Oc5ccccc5)cc4)C3)cn21 ZINC000011816544 556359135 /nfs/dbraw/zinc/35/91/35/556359135.db2.gz UQLSSGDFDAGRHS-NRFANRHFSA-N 0 0 439.515 5.170 50 0 IKAARN CC(C)CCn1c(S[C@@H](C)C(N)=O)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000014068951 556360371 /nfs/dbraw/zinc/36/03/71/556360371.db2.gz JHPKXMVKSXYHLK-KRWDZBQOSA-N 0 0 445.592 5.172 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000014070414 556360777 /nfs/dbraw/zinc/36/07/77/556360777.db2.gz KOHNCIJLUKRBHZ-UHFFFAOYSA-N 0 0 437.330 5.513 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014070125 556360796 /nfs/dbraw/zinc/36/07/96/556360796.db2.gz UHVYZNOUIHPCHJ-JOCHJYFZSA-N 0 0 434.471 5.061 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1N1CCCC1 ZINC000014071095 556361097 /nfs/dbraw/zinc/36/10/97/556361097.db2.gz INQDTUWPTMBWGF-HHHXNRCGSA-N 0 0 443.591 5.416 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)c(C)c1C ZINC000011819534 556361338 /nfs/dbraw/zinc/36/13/38/556361338.db2.gz PDQRXXITASTVHI-QFIPXVFZSA-N 0 0 434.515 5.628 50 0 IKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(Cc2nccn2C)C(C)C)c(C)s1 ZINC000011820244 556361987 /nfs/dbraw/zinc/36/19/87/556361987.db2.gz YXCNWTQBGWTJOJ-UHFFFAOYSA-N 0 0 437.588 5.501 50 0 IKAARN CCn1c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000014083314 556363314 /nfs/dbraw/zinc/36/33/14/556363314.db2.gz AHORVLFOQXYCEW-GOSISDBHSA-N 0 0 449.605 5.031 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014083825 556363560 /nfs/dbraw/zinc/36/35/60/556363560.db2.gz PNJOLLOUHCBZIV-OAHLLOKOSA-N 0 0 437.952 5.933 50 0 IKAARN COc1cccc(CC2(CO)CCN(C(=O)c3ccccc3-c3cccc(C)c3)CC2)c1 ZINC000011838684 556363878 /nfs/dbraw/zinc/36/38/78/556363878.db2.gz QZHZOHJBKWJSIY-UHFFFAOYSA-N 0 0 429.560 5.128 50 0 IKAARN O=C(Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1)Nc1ccccc1Cl ZINC000011839124 556363929 /nfs/dbraw/zinc/36/39/29/556363929.db2.gz RNGUJOICGPZYFJ-UHFFFAOYSA-N 0 0 441.963 5.235 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)sc2C)cc1 ZINC000014085343 556364668 /nfs/dbraw/zinc/36/46/68/556364668.db2.gz KYWQJWPYIQMPDB-UHFFFAOYSA-N 0 0 449.557 5.693 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000014094223 556366228 /nfs/dbraw/zinc/36/62/28/556366228.db2.gz HZSUCWYHJQXSJX-UHFFFAOYSA-N 0 0 435.614 5.840 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cccs2)c(F)c1 ZINC000011842839 556366362 /nfs/dbraw/zinc/36/63/62/556366362.db2.gz LMCHXCZIMKOSMR-RUZDIDTESA-N 0 0 434.536 5.484 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2F)c1OC ZINC000011843756 556366774 /nfs/dbraw/zinc/36/67/74/556366774.db2.gz LORVNFHDRBTOSA-DEOSSOPVSA-N 0 0 430.479 5.112 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NC12CC3CC(CC(C3)C1)C2 ZINC000011847544 556367527 /nfs/dbraw/zinc/36/75/27/556367527.db2.gz VNYDFWOSXDVAFX-UHFFFAOYSA-N 0 0 435.618 5.535 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C(=O)C2CCCCC2)CC1 ZINC000011878827 556371346 /nfs/dbraw/zinc/37/13/46/556371346.db2.gz KHAGKHFEDWOCGO-UHFFFAOYSA-N 0 0 431.536 5.252 50 0 IKAARN COCCCN(Cc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1)C(=O)c1ccco1 ZINC000011908854 556374197 /nfs/dbraw/zinc/37/41/97/556374197.db2.gz QTCUFYSNPGUFGX-UHFFFAOYSA-N 0 0 448.950 6.136 50 0 IKAARN Cc1cc(NC(=O)[C@H](C)Oc2cc3ccccc3cc2C(=O)Nc2ccccc2C)no1 ZINC000014129235 556374215 /nfs/dbraw/zinc/37/42/15/556374215.db2.gz CPNIXWYMZFZGTM-KRWDZBQOSA-N 0 0 429.476 5.103 50 0 IKAARN Cc1cc(NC(=O)[C@@H](C)Oc2cc3ccccc3cc2C(=O)Nc2ccccc2C)no1 ZINC000014129234 556374283 /nfs/dbraw/zinc/37/42/83/556374283.db2.gz CPNIXWYMZFZGTM-QGZVFWFLSA-N 0 0 429.476 5.103 50 0 IKAARN COCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(C)c1)C(=O)c1ccoc1 ZINC000011909849 556374690 /nfs/dbraw/zinc/37/46/90/556374690.db2.gz DITTWTABQGOJGU-UHFFFAOYSA-N 0 0 434.923 5.745 50 0 IKAARN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000014138671 556375814 /nfs/dbraw/zinc/37/58/14/556375814.db2.gz JUNGTDATGRGNBH-UHFFFAOYSA-N 0 0 445.338 5.101 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000014140401 556376538 /nfs/dbraw/zinc/37/65/38/556376538.db2.gz MOPOZHHWIXOOJH-UHFFFAOYSA-N 0 0 429.973 5.085 50 0 IKAARN O=C(CN[C@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000014142361 556377611 /nfs/dbraw/zinc/37/76/11/556377611.db2.gz MPTXVOXIWWWTQZ-VWLOTQADSA-N 0 0 441.556 5.318 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CC2=CCCCC2)c1OC ZINC000011949137 556380323 /nfs/dbraw/zinc/38/03/23/556380323.db2.gz YMXWKWSNZLGRGI-AREMUKBSSA-N 0 0 430.548 5.550 50 0 IKAARN COc1ccccc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(Cl)c1 ZINC000011952399 556380620 /nfs/dbraw/zinc/38/06/20/556380620.db2.gz JCZKJIJQJRJGST-MHZLTWQESA-N 0 0 444.962 5.937 50 0 IKAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc2sc3ccccc3c2s1 ZINC000014170544 556381221 /nfs/dbraw/zinc/38/12/21/556381221.db2.gz XOHWTBYRANLSTM-GOSISDBHSA-N 0 0 440.565 5.058 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1SCc1cccs1 ZINC000014170683 556381586 /nfs/dbraw/zinc/38/15/86/556381586.db2.gz YCOUZFUNMLYLJJ-UHFFFAOYSA-N 0 0 447.629 5.832 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC3)c1 ZINC000011973557 556382767 /nfs/dbraw/zinc/38/27/67/556382767.db2.gz XIYDPEKXCNZMKE-OAQYLSRUSA-N 0 0 444.497 5.132 50 0 IKAARN COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)c(OC)c1 ZINC000014182550 556382811 /nfs/dbraw/zinc/38/28/11/556382811.db2.gz SFYHXXFPBHCTGH-IBGZPJMESA-N 0 0 444.988 5.083 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2n[nH]c(COc3ccccc3C)n2)c2ccccc2)cc1 ZINC000014182911 556383041 /nfs/dbraw/zinc/38/30/41/556383041.db2.gz XBLFHQAOZMFGTD-QHCPKHFHSA-N 0 0 444.560 5.473 50 0 IKAARN CCn1c(=S)n(CN2CCc3sccc3[C@@H]2c2cccs2)nc1-c1ccco1 ZINC000014183188 556383465 /nfs/dbraw/zinc/38/34/65/556383465.db2.gz XDMGPWSJBYDFBP-GOSISDBHSA-N 0 0 428.608 5.422 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)CCC(=O)c3ccc(Br)cc3)c2)cs1 ZINC000014184056 556384032 /nfs/dbraw/zinc/38/40/32/556384032.db2.gz ZXUKOIQJGCOCPI-UHFFFAOYSA-N 0 0 429.339 5.483 50 0 IKAARN Cc1csc(-c2ccc(OCC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)cc2)n1 ZINC000014184877 556384735 /nfs/dbraw/zinc/38/47/35/556384735.db2.gz HYVGXSXFICTRTF-JOCHJYFZSA-N 0 0 438.549 5.604 50 0 IKAARN COc1ccccc1N(C(C)=O)c1nc(CN[C@H](c2cccs2)c2ccccc2)cs1 ZINC000014185105 556385245 /nfs/dbraw/zinc/38/52/45/556385245.db2.gz BUINSASKQXTFPO-QHCPKHFHSA-N 0 0 449.601 5.777 50 0 IKAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)Nc2ccccc2SC)CC1 ZINC000012027586 556388248 /nfs/dbraw/zinc/38/82/48/556388248.db2.gz ANTDUQKBALZCIK-UHFFFAOYSA-N 0 0 442.581 5.055 50 0 IKAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000014197878 556389361 /nfs/dbraw/zinc/38/93/61/556389361.db2.gz YWARSQLMYMQZIQ-HXUWFJFHSA-N 0 0 437.543 5.404 50 0 IKAARN O=C(C1C[C@H]2CC[C@@H](C1)C21SCCS1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000014200351 556390925 /nfs/dbraw/zinc/39/09/25/556390925.db2.gz PGBFWHQHESBFQH-AYHJJNSGSA-N 0 0 428.623 5.146 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1cccc(Br)c1 ZINC000012042020 556391065 /nfs/dbraw/zinc/39/10/65/556391065.db2.gz KFLLPGLVUYBABI-UHFFFAOYSA-N 0 0 429.361 7.209 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012042038 556391168 /nfs/dbraw/zinc/39/11/68/556391168.db2.gz CRUSFBNHVRPYOV-UHFFFAOYSA-N 0 0 433.735 6.890 50 0 IKAARN CC(=O)Nc1ccc(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000014201421 556391992 /nfs/dbraw/zinc/39/19/92/556391992.db2.gz SVUWRIKJHKJBRP-LLVKDONJSA-N 0 0 427.576 5.525 50 0 IKAARN FC(F)(F)[C@H]1CCCN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)C1 ZINC000014206691 556392677 /nfs/dbraw/zinc/39/26/77/556392677.db2.gz WPWMKVFRPUZUEL-SFHVURJKSA-N 0 0 432.515 5.226 50 0 IKAARN Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)/C=C/c3cc(F)ccc3F)C2)c1 ZINC000012056637 556394117 /nfs/dbraw/zinc/39/41/17/556394117.db2.gz XSDQJLCCUAFSSK-OGECGYFKSA-N 0 0 433.502 5.458 50 0 IKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCC(=O)c1cccs1 ZINC000014228251 556395680 /nfs/dbraw/zinc/39/56/80/556395680.db2.gz BYRFHFKOPXVYGG-UHFFFAOYSA-N 0 0 432.339 5.392 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 ZINC000012062518 556395701 /nfs/dbraw/zinc/39/57/01/556395701.db2.gz ZOPFDIXEJIOQMQ-UHFFFAOYSA-N 0 0 447.512 5.567 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000012062500 556395832 /nfs/dbraw/zinc/39/58/32/556395832.db2.gz VKBMZWYNOBWDPX-RUZDIDTESA-N 0 0 439.511 5.288 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000012064375 556395861 /nfs/dbraw/zinc/39/58/61/556395861.db2.gz YBAMZFSBCZSUDA-QFIPXVFZSA-N 0 0 428.513 5.277 50 0 IKAARN O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 ZINC000032810201 556396098 /nfs/dbraw/zinc/39/60/98/556396098.db2.gz FWVKIKCVMZVMOK-UHFFFAOYSA-N 0 0 443.528 5.108 50 0 IKAARN CC(=O)c1cc(CN2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000012073778 556396487 /nfs/dbraw/zinc/39/64/87/556396487.db2.gz ZTHWJPDFMWKJNG-INIZCTEOSA-N 0 0 438.515 5.600 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000032815133 556401169 /nfs/dbraw/zinc/40/11/69/556401169.db2.gz GLLIFOOPPYVDSS-UUWFMWQGSA-N 0 0 436.861 5.169 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nnc(C4CC4)o3)nc21 ZINC000014242611 556403235 /nfs/dbraw/zinc/40/32/35/556403235.db2.gz YCJRKXXQRJUVIW-UHFFFAOYSA-N 0 0 436.562 5.191 50 0 IKAARN O=C(NC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012302492 556403315 /nfs/dbraw/zinc/40/33/15/556403315.db2.gz AEFZIMPUKWTKED-HXUWFJFHSA-N 0 0 437.543 5.117 50 0 IKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1ccc(C)cc1C ZINC000014242940 556403414 /nfs/dbraw/zinc/40/34/14/556403414.db2.gz RKXFPSYROHKYSA-UHFFFAOYSA-N 0 0 426.592 5.742 50 0 IKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nnc(-c2ccc(F)cc2)o1 ZINC000014242957 556403778 /nfs/dbraw/zinc/40/37/78/556403778.db2.gz NUKKJHUCHWTQST-NWDGAFQWSA-N 0 0 442.541 5.965 50 0 IKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2ccc(F)cc2)o1 ZINC000014242956 556403807 /nfs/dbraw/zinc/40/38/07/556403807.db2.gz NUKKJHUCHWTQST-VXGBXAGGSA-N 0 0 442.541 5.965 50 0 IKAARN CC[C@@H](c1nnc(SCc2cc(-c3cccs3)on2)n1Cc1ccccc1)N(C)C ZINC000014244648 556404392 /nfs/dbraw/zinc/40/43/92/556404392.db2.gz YIYIRGNJHMVWRG-SFHVURJKSA-N 0 0 439.610 5.348 50 0 IKAARN CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 ZINC000014245058 556404752 /nfs/dbraw/zinc/40/47/52/556404752.db2.gz MPSLBDIKEDCQJS-UHFFFAOYSA-N 0 0 444.922 5.147 50 0 IKAARN COc1cc(CCC(=O)Nc2nc(-c3cc(C)sc3C)cs2)cc(OC)c1OC ZINC000014245204 556404989 /nfs/dbraw/zinc/40/49/89/556404989.db2.gz QPUCCAICTGNXJS-UHFFFAOYSA-N 0 0 432.567 5.086 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)o1 ZINC000014245120 556405094 /nfs/dbraw/zinc/40/50/94/556405094.db2.gz KUANRKZEUKPKHT-IBGZPJMESA-N 0 0 439.924 6.072 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)n2)cc1 ZINC000032578693 556405519 /nfs/dbraw/zinc/40/55/19/556405519.db2.gz JDRPSHBKTOCXJX-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccccc4Cl)cc3)n2)cc1 ZINC000032578787 556405572 /nfs/dbraw/zinc/40/55/72/556405572.db2.gz WGDDTYSKDOSLJB-UHFFFAOYSA-N 0 0 433.895 5.061 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1Cl ZINC000032578744 556405582 /nfs/dbraw/zinc/40/55/82/556405582.db2.gz OSPQHUAEWJKBHQ-UHFFFAOYSA-N 0 0 435.867 5.230 50 0 IKAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1Cl ZINC000032578658 556405585 /nfs/dbraw/zinc/40/55/85/556405585.db2.gz UYRHVRUADHCHHC-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1Cl ZINC000032594110 556407494 /nfs/dbraw/zinc/40/74/94/556407494.db2.gz FYZIGGCGOBOQBT-UHFFFAOYSA-N 0 0 440.286 5.971 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)c4cc(-c5ccc(C)cc5)on4)cc3)n2)s1 ZINC000032594154 556407541 /nfs/dbraw/zinc/40/75/41/556407541.db2.gz PHWPCMLJGSNCDP-UHFFFAOYSA-N 0 0 442.500 5.989 50 0 IKAARN CCSCn1nnc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(Cl)c1Cl ZINC000032611805 556408826 /nfs/dbraw/zinc/40/88/26/556408826.db2.gz VXFQTCRINWLSAY-UHFFFAOYSA-N 0 0 425.316 5.354 50 0 IKAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622151 556409364 /nfs/dbraw/zinc/40/93/64/556409364.db2.gz APIMFPSTLHMYFS-HXUWFJFHSA-N 0 0 430.335 5.215 50 0 IKAARN Cc1ccc(C)c(OC[C@@H](O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C ZINC000014251735 556409328 /nfs/dbraw/zinc/40/93/28/556409328.db2.gz ZOCAVFFGOVUXMB-LJQANCHMSA-N 0 0 448.592 5.219 50 0 IKAARN CCc1ccc2oc(C(=O)Nc3ccccc3-c3nc(-c4ccc(C)s4)no3)c(C)c2c1 ZINC000032622281 556409648 /nfs/dbraw/zinc/40/96/48/556409648.db2.gz PKLWVRJIHVYXKU-UHFFFAOYSA-N 0 0 443.528 6.643 50 0 IKAARN CCOc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 ZINC000032622444 556409945 /nfs/dbraw/zinc/40/99/45/556409945.db2.gz PUWIEEGKHXISHK-UHFFFAOYSA-N 0 0 444.354 5.182 50 0 IKAARN CCc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)cc1 ZINC000032622445 556409951 /nfs/dbraw/zinc/40/99/51/556409951.db2.gz PMGSEFSHIPCXAL-UHFFFAOYSA-N 0 0 442.382 5.655 50 0 IKAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622406 556409970 /nfs/dbraw/zinc/40/99/70/556409970.db2.gz SYPZISQAQHKJLN-FQEVSTJZSA-N 0 0 430.335 5.215 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3cc(Br)ccc3c2C)c2cccnc12 ZINC000032622593 556409977 /nfs/dbraw/zinc/40/99/77/556409977.db2.gz LFDAQHMIQRJULR-UHFFFAOYSA-N 0 0 425.282 5.703 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3Cl)n2)cc1 ZINC000032622887 556410205 /nfs/dbraw/zinc/41/02/05/556410205.db2.gz YUSOTGWIGLUEEO-HNNXBMFYSA-N 0 0 449.894 5.472 50 0 IKAARN COc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 ZINC000032623356 556410494 /nfs/dbraw/zinc/41/04/94/556410494.db2.gz JOHBGHWZTOSSRY-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000014260887 556410921 /nfs/dbraw/zinc/41/09/21/556410921.db2.gz FQGDBWLMCFBEQI-UHFFFAOYSA-N 0 0 426.541 5.547 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)n2)cc1 ZINC000032623854 556410961 /nfs/dbraw/zinc/41/09/61/556410961.db2.gz VASXSBJXFWGPKV-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN C[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000032825935 556411110 /nfs/dbraw/zinc/41/11/10/556411110.db2.gz GGCYOYZMCFWMKH-KRWDZBQOSA-N 0 0 444.966 6.260 50 0 IKAARN O=C(Oc1ccccc1Cl)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000032624094 556411182 /nfs/dbraw/zinc/41/11/82/556411182.db2.gz HIKNAGJIOMJLLT-UHFFFAOYSA-N 0 0 425.724 5.948 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)COc3cccc(C)c3)sc2NC(=O)c2ccco2)cc1 ZINC000032624620 556411437 /nfs/dbraw/zinc/41/14/37/556411437.db2.gz PBARBADONRHTHV-UHFFFAOYSA-N 0 0 447.516 5.290 50 0 IKAARN Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1NC(=O)c1ccccc1 ZINC000032827653 556411518 /nfs/dbraw/zinc/41/15/18/556411518.db2.gz GHDRIWYSHFUNKP-UHFFFAOYSA-N 0 0 427.479 5.066 50 0 IKAARN CCCOc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(C(C)(C)C)cc3)c(=O)n21 ZINC000014291539 556411737 /nfs/dbraw/zinc/41/17/37/556411737.db2.gz SWLYXNGAQOHHRA-UHFFFAOYSA-N 0 0 435.549 5.248 50 0 IKAARN O=C(NCCCn1cnc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 ZINC000032819208 556411958 /nfs/dbraw/zinc/41/19/58/556411958.db2.gz INPQTEXXUCOLBH-UHFFFAOYSA-N 0 0 442.544 5.290 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O ZINC000004385059 556413279 /nfs/dbraw/zinc/41/32/79/556413279.db2.gz GCENONUOEWPTQS-OAQYLSRUSA-N 0 0 425.532 5.312 50 0 IKAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000014356559 556413959 /nfs/dbraw/zinc/41/39/59/556413959.db2.gz UCAPTAWKJPDYOP-UHFFFAOYSA-N 0 0 441.383 6.561 50 0 IKAARN CC[C@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C(C)C ZINC000004526972 556414982 /nfs/dbraw/zinc/41/49/82/556414982.db2.gz JOWXAZCVJYFTJR-SFHVURJKSA-N 0 0 432.605 5.255 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c3ccccc3)C1)oc1ccccc12 ZINC000032675807 556415625 /nfs/dbraw/zinc/41/56/25/556415625.db2.gz IWWAXVJYFZIMGF-WMZOPIPTSA-N 0 0 428.488 5.143 50 0 IKAARN O=C(Nc1ccccc1)N1CCC(C(=O)N(CCc2ccccc2)Cc2cccs2)CC1 ZINC000032678897 556416087 /nfs/dbraw/zinc/41/60/87/556416087.db2.gz FNWBXDJYNJPHEU-UHFFFAOYSA-N 0 0 447.604 5.264 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1cccc(C)c1C ZINC000012937381 556416497 /nfs/dbraw/zinc/41/64/97/556416497.db2.gz JYXLTOXWFXDJGE-MTJSOVHGSA-N 0 0 445.544 5.406 50 0 IKAARN COc1cc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c(OC)cc1Cl ZINC000012941902 556416701 /nfs/dbraw/zinc/41/67/01/556416701.db2.gz UZHDXEBMHZMJMN-HSZRJFAPSA-N 0 0 442.968 5.005 50 0 IKAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032666049 556417384 /nfs/dbraw/zinc/41/73/84/556417384.db2.gz WSQMXMDUZVJXPM-UHFFFAOYSA-N 0 0 443.528 5.499 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000012954919 556418436 /nfs/dbraw/zinc/41/84/36/556418436.db2.gz OATUGQVRSFARFU-IEXUWNMDSA-N 0 0 440.609 5.172 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000012954915 556418558 /nfs/dbraw/zinc/41/85/58/556418558.db2.gz OATUGQVRSFARFU-IGKWTDBASA-N 0 0 440.609 5.172 50 0 IKAARN O=C(Nc1ccc(SC(F)F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976401 556422000 /nfs/dbraw/zinc/42/20/00/556422000.db2.gz PAJSKTYDTGXHEB-VYBOSXCSSA-N 0 0 434.552 5.147 50 0 IKAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CCC=C(C)C)cnc2n1CCC(C)C ZINC000014533604 556422197 /nfs/dbraw/zinc/42/21/97/556422197.db2.gz YTNBBLVFOYINTJ-KRWDZBQOSA-N 0 0 428.577 5.374 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1I ZINC000012977206 556422565 /nfs/dbraw/zinc/42/25/65/556422565.db2.gz ONBYZXJOIGTDFV-UHFFFAOYSA-N 0 0 426.304 5.037 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1SC)CC2 ZINC000012978566 556423161 /nfs/dbraw/zinc/42/31/61/556423161.db2.gz UUQFUUWEZHASNJ-AREMUKBSSA-N 0 0 448.588 5.012 50 0 IKAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 ZINC000012978599 556423379 /nfs/dbraw/zinc/42/33/79/556423379.db2.gz UNUGVVNCSHEBIV-SFHVURJKSA-N 0 0 448.519 5.136 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)c2oc1-c1ccccc1 ZINC000012980045 556423880 /nfs/dbraw/zinc/42/38/80/556423880.db2.gz PHZXYKRALSYELQ-MRXNPFEDSA-N 0 0 446.886 5.850 50 0 IKAARN CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc2ccccc21 ZINC000012981903 556424868 /nfs/dbraw/zinc/42/48/68/556424868.db2.gz FREXQXSPXGERIZ-OAHLLOKOSA-N 0 0 447.516 5.152 50 0 IKAARN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@H](C)c4ccccc4)c(=O)c23)cc1 ZINC000012988663 556427912 /nfs/dbraw/zinc/42/79/12/556427912.db2.gz NYHFSJNGKGKRDV-GOSISDBHSA-N 0 0 431.561 5.043 50 0 IKAARN CCn1c(SCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)nnc1-c1ccccc1 ZINC000032843057 556428224 /nfs/dbraw/zinc/42/82/24/556428224.db2.gz NXVWZPAUBYGRMS-KRWDZBQOSA-N 0 0 445.013 5.064 50 0 IKAARN COC(=O)c1cnc(NC(=O)c2ccccc2CSc2nc3ccccc3s2)s1 ZINC000032843454 556428746 /nfs/dbraw/zinc/42/87/46/556428746.db2.gz APLJDCFVJWQHHD-UHFFFAOYSA-N 0 0 441.559 5.084 50 0 IKAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012992538 556428903 /nfs/dbraw/zinc/42/89/03/556428903.db2.gz SAEYECWSZQHEOY-AWEZNQCLSA-N 0 0 446.903 5.494 50 0 IKAARN C[C@H]1c2ccsc2CCN1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012993663 556429470 /nfs/dbraw/zinc/42/94/70/556429470.db2.gz JWYCQIMEJSZEJW-LBPRGKRZSA-N 0 0 427.982 5.486 50 0 IKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000032845794 556429706 /nfs/dbraw/zinc/42/97/06/556429706.db2.gz AYIBYFPWHLQRSB-UHFFFAOYSA-N 0 0 442.309 5.029 50 0 IKAARN CC[C@H]1CN=C(N(C(=O)Cc2c(Cl)cccc2Cl)c2ccc(C(C)=O)cc2)S1 ZINC000012996052 556431150 /nfs/dbraw/zinc/43/11/50/556431150.db2.gz MKVRCZGDMJGKSM-INIZCTEOSA-N 0 0 435.376 5.653 50 0 IKAARN COc1ccc(-c2nc(CN(Cc3ccco3)Cc3cccs3)cs2)cc1OC ZINC000012996599 556431272 /nfs/dbraw/zinc/43/12/72/556431272.db2.gz BJGVDHWXRGYTOY-UHFFFAOYSA-N 0 0 426.563 5.684 50 0 IKAARN COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1Cl ZINC000013000637 556432842 /nfs/dbraw/zinc/43/28/42/556432842.db2.gz GGKHCWLPGCIFJX-NRFANRHFSA-N 0 0 448.997 5.066 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)cc1 ZINC000027795552 556433018 /nfs/dbraw/zinc/43/30/18/556433018.db2.gz CIWHZZZIIXUCFC-UHFFFAOYSA-N 0 0 428.355 5.401 50 0 IKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027795771 556433061 /nfs/dbraw/zinc/43/30/61/556433061.db2.gz WBJWLEDQJIILOC-HXUWFJFHSA-N 0 0 446.909 6.577 50 0 IKAARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000011024876 556433074 /nfs/dbraw/zinc/43/30/74/556433074.db2.gz ZMXYNUSBNVWFHP-JTQLQIEISA-N 0 0 432.983 5.588 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)csc1-c1ccccc1 ZINC000011024869 556433077 /nfs/dbraw/zinc/43/30/77/556433077.db2.gz GAFMJABPPUMCNG-UHFFFAOYSA-N 0 0 426.346 6.212 50 0 IKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000027795645 556433089 /nfs/dbraw/zinc/43/30/89/556433089.db2.gz OMXOCLUXIBGRLQ-UHFFFAOYSA-N 0 0 432.274 5.414 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000013000925 556433110 /nfs/dbraw/zinc/43/31/10/556433110.db2.gz YPEGMVBCJMGNFK-UHFFFAOYSA-N 0 0 434.348 5.136 50 0 IKAARN Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000027795534 556433111 /nfs/dbraw/zinc/43/31/11/556433111.db2.gz JBJPKGMXPTXLFA-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN Cc1ccc(-c2csc3nc(SCc4cccnc4)n(C[C@H]4CCCO4)c(=O)c23)cc1 ZINC000027810614 556433275 /nfs/dbraw/zinc/43/32/75/556433275.db2.gz WLPYVKPLYFNZOB-LJQANCHMSA-N 0 0 449.601 5.300 50 0 IKAARN COC(=O)c1ccc(CNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013001326 556433261 /nfs/dbraw/zinc/43/32/61/556433261.db2.gz UTWPLZPFYDARRN-UHFFFAOYSA-N 0 0 425.569 5.023 50 0 IKAARN Cc1ccc(CCC2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)CC2)cc1 ZINC000032857583 556433856 /nfs/dbraw/zinc/43/38/56/556433856.db2.gz LSVSYTUOLCGYNR-UHFFFAOYSA-N 0 0 433.596 5.110 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)n2)cc1 ZINC000013008571 556435343 /nfs/dbraw/zinc/43/53/43/556435343.db2.gz JNAZKHXVIXGVFN-OAQYLSRUSA-N 0 0 435.549 5.303 50 0 IKAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000027920706 556435721 /nfs/dbraw/zinc/43/57/21/556435721.db2.gz LCLPQFFQWYXIQX-UHFFFAOYSA-N 0 0 448.544 5.065 50 0 IKAARN Fc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)n3nc(C(F)(F)F)nc3n2)cc1 ZINC000013011626 556435860 /nfs/dbraw/zinc/43/58/60/556435860.db2.gz VLVTWTRBYPJPCA-UHFFFAOYSA-N 0 0 427.188 5.923 50 0 IKAARN Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 ZINC000013015630 556437301 /nfs/dbraw/zinc/43/73/01/556437301.db2.gz DNYHUBMKKVFGIZ-RTWAWAEBSA-N 0 0 449.327 5.993 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1 ZINC000013016576 556438032 /nfs/dbraw/zinc/43/80/32/556438032.db2.gz KAEMOFBQCYBTCK-UHFFFAOYSA-N 0 0 446.601 5.810 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013016917 556438286 /nfs/dbraw/zinc/43/82/86/556438286.db2.gz PWHXPBYLMGWQPF-MQVJKMGUSA-N 0 0 440.030 5.133 50 0 IKAARN Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)OCC(=O)Nc3ccc(F)cc3)c2c1 ZINC000013016803 556438335 /nfs/dbraw/zinc/43/83/35/556438335.db2.gz IDQVGMZBFUDMAR-UHFFFAOYSA-N 0 0 436.508 5.458 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000013017599 556438690 /nfs/dbraw/zinc/43/86/90/556438690.db2.gz KQXAICFAOVNKJC-AWEZNQCLSA-N 0 0 447.318 5.108 50 0 IKAARN CCCCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C)c3ccccn32)cc1 ZINC000027987345 556439144 /nfs/dbraw/zinc/43/91/44/556439144.db2.gz VJFROWIJZDMECV-UHFFFAOYSA-N 0 0 441.531 5.492 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000059784843 556439349 /nfs/dbraw/zinc/43/93/49/556439349.db2.gz KELKHTVJOIQOFD-UHFFFAOYSA-N 0 0 444.844 5.337 50 0 IKAARN O=C(Nc1ccccc1OCC(F)(F)F)c1csc(COc2ccc(F)cc2)n1 ZINC000013020416 556439607 /nfs/dbraw/zinc/43/96/07/556439607.db2.gz LMMJTZNUNSXBLH-UHFFFAOYSA-N 0 0 426.391 5.055 50 0 IKAARN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)N[C@H](c1cccs1)c1ccccc1 ZINC000013021145 556439694 /nfs/dbraw/zinc/43/96/94/556439694.db2.gz CFHFDRSNDWIQQR-QFIPXVFZSA-N 0 0 431.517 5.182 50 0 IKAARN CCN(C(=O)COc1ccccc1OC)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993046 556440472 /nfs/dbraw/zinc/44/04/72/556440472.db2.gz SCMFDWZGSLUELK-MHZLTWQESA-N 0 0 428.532 5.502 50 0 IKAARN CCCOc1cccc(C(=O)N(CC)[C@@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)c1 ZINC000027993268 556440639 /nfs/dbraw/zinc/44/06/39/556440639.db2.gz DPGAQICZGWPYIQ-HHHXNRCGSA-N 0 0 426.560 6.517 50 0 IKAARN CCN(C(=O)COc1cc(C)cc(C)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993206 556440655 /nfs/dbraw/zinc/44/06/55/556440655.db2.gz LNGKCQQOIBJQHP-NDEPHWFRSA-N 0 0 426.560 6.110 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 ZINC000027994610 556441118 /nfs/dbraw/zinc/44/11/18/556441118.db2.gz JMFIFNKJZHTNRA-UHFFFAOYSA-N 0 0 437.348 5.107 50 0 IKAARN Brc1cc2c(cc1CSc1nnc(-c3c[nH]c4ccccc43)o1)OCO2 ZINC000013028092 556441216 /nfs/dbraw/zinc/44/12/16/556441216.db2.gz RVEPGFAOCUHXQQ-UHFFFAOYSA-N 0 0 430.283 5.001 50 0 IKAARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SCCC(F)(F)F)CCCC4)c1 ZINC000013028860 556441681 /nfs/dbraw/zinc/44/16/81/556441681.db2.gz AIQSUWLEZFUPMY-UHFFFAOYSA-N 0 0 440.512 5.379 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccs1 ZINC000013030827 556442183 /nfs/dbraw/zinc/44/21/83/556442183.db2.gz GZPYSTCKJVLSPM-UHFFFAOYSA-N 0 0 427.932 5.301 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000013037724 556443195 /nfs/dbraw/zinc/44/31/95/556443195.db2.gz CCZMEMHRFDRECC-UHFFFAOYSA-N 0 0 445.346 5.049 50 0 IKAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 ZINC000013038225 556443856 /nfs/dbraw/zinc/44/38/56/556443856.db2.gz NSSJLPKFWXMUMI-UHFFFAOYSA-N 0 0 444.556 5.887 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)c(Cl)c1 ZINC000032957640 556444000 /nfs/dbraw/zinc/44/40/00/556444000.db2.gz IUBPWTXLSSEHDG-UHFFFAOYSA-N 0 0 438.984 5.809 50 0 IKAARN CCN(CC)[P@]1(=Nc2ccccc2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C ZINC000032693772 556444114 /nfs/dbraw/zinc/44/41/14/556444114.db2.gz DOQOWYAHYCBBEV-YDGFMLSUSA-N 0 0 435.556 6.570 50 0 IKAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013038344 556444145 /nfs/dbraw/zinc/44/41/45/556444145.db2.gz QSOBKBBDAPDBDC-JTQLQIEISA-N 0 0 449.165 5.198 50 0 IKAARN COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1F ZINC000013039347 556445094 /nfs/dbraw/zinc/44/50/94/556445094.db2.gz YGCKQPAONHUMRU-UHFFFAOYSA-N 0 0 448.494 5.444 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000013039655 556445384 /nfs/dbraw/zinc/44/53/84/556445384.db2.gz WKMUUZGGWLPBFK-RUZDIDTESA-N 0 0 449.982 5.516 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000014778933 556445520 /nfs/dbraw/zinc/44/55/20/556445520.db2.gz OVSPSOKQKQALKD-UHFFFAOYSA-N 0 0 425.513 6.190 50 0 IKAARN C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1Cl ZINC000013040158 556445923 /nfs/dbraw/zinc/44/59/23/556445923.db2.gz YVCKDQZECZXWPR-LBPRGKRZSA-N 0 0 430.360 5.809 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1cc2ccccc2o1 ZINC000028211397 556445942 /nfs/dbraw/zinc/44/59/42/556445942.db2.gz OINYXADJNASUMZ-UHFFFAOYSA-N 0 0 428.464 5.281 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000014793481 556446157 /nfs/dbraw/zinc/44/61/57/556446157.db2.gz XUDKOKMNEWHKJE-UHFFFAOYSA-N 0 0 429.451 5.260 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c(C)n1C(C)C ZINC000013040506 556446281 /nfs/dbraw/zinc/44/62/81/556446281.db2.gz JJZGQSVNCIGVEK-UHFFFAOYSA-N 0 0 441.959 5.241 50 0 IKAARN Cn1c2ccccc2nc1-c1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 ZINC000072273090 556446362 /nfs/dbraw/zinc/44/63/62/556446362.db2.gz XRARDQZRBNKFKH-UHFFFAOYSA-N 0 0 436.471 5.338 50 0 IKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000028287046 556447628 /nfs/dbraw/zinc/44/76/28/556447628.db2.gz XXSIGMCHEBJNQB-UHFFFAOYSA-N 0 0 425.282 6.028 50 0 IKAARN CCOc1cc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)ccc1O ZINC000013041628 556447793 /nfs/dbraw/zinc/44/77/93/556447793.db2.gz FRPVPFBYGOMYIT-UHFFFAOYSA-N 0 0 430.504 5.069 50 0 IKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000028288836 556448626 /nfs/dbraw/zinc/44/86/26/556448626.db2.gz ACUBNWODJJCMFD-MHZLTWQESA-N 0 0 428.532 5.420 50 0 IKAARN Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2cc1C ZINC000028288993 556448747 /nfs/dbraw/zinc/44/87/47/556448747.db2.gz PPPOHVNUOPIHMY-OAQYLSRUSA-N 0 0 438.955 5.020 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccn1 ZINC000028289154 556449140 /nfs/dbraw/zinc/44/91/40/556449140.db2.gz IYDOZFKJVSLCLY-UHFFFAOYSA-N 0 0 434.948 6.223 50 0 IKAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2cc(OC)ccc2n1 ZINC000032868782 556449239 /nfs/dbraw/zinc/44/92/39/556449239.db2.gz CJZZVMHIPGSJRG-UHFFFAOYSA-N 0 0 446.334 5.041 50 0 IKAARN Cc1cc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc(C)c1Cl ZINC000028289640 556449241 /nfs/dbraw/zinc/44/92/41/556449241.db2.gz JEELOQFSGKFPDE-UHFFFAOYSA-N 0 0 433.310 5.757 50 0 IKAARN Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c1 ZINC000028290434 556449498 /nfs/dbraw/zinc/44/94/98/556449498.db2.gz WIVYFCUSWSLMGF-UHFFFAOYSA-N 0 0 430.932 6.212 50 0 IKAARN COc1ccc(F)cc1C(=O)COC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000014846183 556449464 /nfs/dbraw/zinc/44/94/64/556449464.db2.gz VATXFCPKSCSRMV-HZPDHXFCSA-N 0 0 427.497 5.144 50 0 IKAARN Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)c1 ZINC000028290437 556449594 /nfs/dbraw/zinc/44/95/94/556449594.db2.gz GVIWUILODPGHHS-UHFFFAOYSA-N 0 0 447.387 6.727 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000013058446 556449786 /nfs/dbraw/zinc/44/97/86/556449786.db2.gz ZEVUUZDAQJTGCC-GOSISDBHSA-N 0 0 445.563 5.291 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000032869017 556449846 /nfs/dbraw/zinc/44/98/46/556449846.db2.gz NFXDABNJRJWYKA-UHFFFAOYSA-N 0 0 425.560 5.111 50 0 IKAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4nc(-c5ccccc5)cs4)cc3)nc12 ZINC000014847067 556449878 /nfs/dbraw/zinc/44/98/78/556449878.db2.gz KQJHXSSUZBOYAH-UHFFFAOYSA-N 0 0 440.528 5.598 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCOCC1 ZINC000028291594 556450106 /nfs/dbraw/zinc/45/01/06/556450106.db2.gz KTRSKWQUQAIAFE-QFIPXVFZSA-N 0 0 440.971 5.321 50 0 IKAARN Cc1cccc(CSc2ncc(Br)c(C(=O)Nc3ccc(F)cc3)n2)c1 ZINC000028292408 556450390 /nfs/dbraw/zinc/45/03/90/556450390.db2.gz SUYKDFJWCZFVHP-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccn1 ZINC000028293496 556451080 /nfs/dbraw/zinc/45/10/80/556451080.db2.gz UUCPPIQYSOOMLT-UHFFFAOYSA-N 0 0 434.948 6.223 50 0 IKAARN CC[C@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Br)cc1 ZINC000032865868 556451136 /nfs/dbraw/zinc/45/11/36/556451136.db2.gz LHBPKIDZOBXMEX-HNNXBMFYSA-N 0 0 447.354 5.545 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2C)cc1 ZINC000013063400 556451970 /nfs/dbraw/zinc/45/19/70/556451970.db2.gz IESWOGOMYJABMQ-UHFFFAOYSA-N 0 0 446.547 5.571 50 0 IKAARN O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1OCc1ccc(F)cc1 ZINC000013069151 556452881 /nfs/dbraw/zinc/45/28/81/556452881.db2.gz GNLNIUXIILEZOA-UHFFFAOYSA-N 0 0 442.870 5.576 50 0 IKAARN CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000072274378 556453047 /nfs/dbraw/zinc/45/30/47/556453047.db2.gz MQRGOHZKEQZXFP-UHFFFAOYSA-N 0 0 443.378 5.345 50 0 IKAARN Cc1ccc(Nc2nn(CN(C)CC(=O)Nc3ccccc3Cl)c(=S)s2)cc1C ZINC000013070042 556453178 /nfs/dbraw/zinc/45/31/78/556453178.db2.gz QEJRWYMRWQKVHF-UHFFFAOYSA-N 0 0 448.017 5.216 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nn(CN2CCC(C)CC2)c(=S)n1C1CCCCC1 ZINC000013071518 556453510 /nfs/dbraw/zinc/45/35/10/556453510.db2.gz DVLWWYRVKGWFFN-UHFFFAOYSA-N 0 0 449.064 6.150 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1cc2c(s1)CCCC2 ZINC000013071888 556453893 /nfs/dbraw/zinc/45/38/93/556453893.db2.gz SYIWGBIPIFOMLS-UHFFFAOYSA-N 0 0 425.575 6.093 50 0 IKAARN Cc1ccc2cccc(Oc3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)c2n1 ZINC000013074232 556454624 /nfs/dbraw/zinc/45/46/24/556454624.db2.gz UVSHKJCLKZXOMH-UHFFFAOYSA-N 0 0 446.576 5.051 50 0 IKAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000013075395 556455324 /nfs/dbraw/zinc/45/53/24/556455324.db2.gz GRNHGKKMQPFZJY-UHFFFAOYSA-N 0 0 448.394 5.230 50 0 IKAARN Clc1ccccc1-c1nc(CN2CCC(c3nc4ccccc4s3)CC2)cs1 ZINC000013076081 556455701 /nfs/dbraw/zinc/45/57/01/556455701.db2.gz ZJMWKJAHUBVCSO-UHFFFAOYSA-N 0 0 426.010 6.453 50 0 IKAARN COc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1OC ZINC000072275191 556455735 /nfs/dbraw/zinc/45/57/35/556455735.db2.gz HRJNBHWRIIXCNE-UHFFFAOYSA-N 0 0 436.474 5.377 50 0 IKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000028490881 556455737 /nfs/dbraw/zinc/45/57/37/556455737.db2.gz KPYSJZJTGQXWDL-UHFFFAOYSA-N 0 0 425.517 5.378 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000013095667 556456597 /nfs/dbraw/zinc/45/65/97/556456597.db2.gz IGTSCZCPQNBVPF-HSZRJFAPSA-N 0 0 443.374 6.204 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000013095666 556456694 /nfs/dbraw/zinc/45/66/94/556456694.db2.gz IGTSCZCPQNBVPF-QHCPKHFHSA-N 0 0 443.374 6.204 50 0 IKAARN COc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000028580887 556456692 /nfs/dbraw/zinc/45/66/92/556456692.db2.gz QKGSUDDSUDWAHB-SFHVURJKSA-N 0 0 436.335 5.037 50 0 IKAARN CC(C)[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc2c(c1)OCCCO2 ZINC000013095954 556456709 /nfs/dbraw/zinc/45/67/09/556456709.db2.gz WYHITTLVCCJWOZ-HHHXNRCGSA-N 0 0 429.516 5.803 50 0 IKAARN O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccco1)Cc1ccc(Cl)cc1Cl ZINC000028580912 556456734 /nfs/dbraw/zinc/45/67/34/556456734.db2.gz PTLJJJWABHHJIE-GOSISDBHSA-N 0 0 440.754 5.682 50 0 IKAARN O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1C1CCCC1 ZINC000014902576 556457261 /nfs/dbraw/zinc/45/72/61/556457261.db2.gz LZPTYJJHRQVPOM-UHFFFAOYSA-N 0 0 426.492 5.549 50 0 IKAARN CC(C)[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000013096601 556457246 /nfs/dbraw/zinc/45/72/46/556457246.db2.gz ZTAATQDLTIWCSD-OAQYLSRUSA-N 0 0 440.392 5.760 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1Cl ZINC000013097139 556457669 /nfs/dbraw/zinc/45/76/69/556457669.db2.gz ODVZFBKVKPRYDC-UHFFFAOYSA-N 0 0 436.964 5.582 50 0 IKAARN Cc1ccc(O)c(C(=O)c2cc(-c3nnc(-c4ccc(Cl)cc4)o3)n(C3CCCC3)c2)c1 ZINC000013097519 556458226 /nfs/dbraw/zinc/45/82/26/556458226.db2.gz WANOCXCHXKONCF-UHFFFAOYSA-N 0 0 447.922 6.219 50 0 IKAARN O=C(Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000072277537 556458682 /nfs/dbraw/zinc/45/86/82/556458682.db2.gz NGQRYBJNYQCXHO-LJQANCHMSA-N 0 0 444.441 5.321 50 0 IKAARN Cc1nc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n(C2CCCC2)c1C ZINC000013097922 556458773 /nfs/dbraw/zinc/45/87/73/556458773.db2.gz HBQFVILDRDHGOP-RUZDIDTESA-N 0 0 429.589 6.813 50 0 IKAARN Cc1cccc(Nc2nn(CN(C)Cc3cccc(Cl)c3Cl)c(=S)s2)c1 ZINC000013097943 556458821 /nfs/dbraw/zinc/45/88/21/556458821.db2.gz SVEYCFUCEFLQSR-UHFFFAOYSA-N 0 0 425.410 6.122 50 0 IKAARN Cc1nc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n(C2CCCC2)c1C ZINC000013097923 556458849 /nfs/dbraw/zinc/45/88/49/556458849.db2.gz HBQFVILDRDHGOP-VWLOTQADSA-N 0 0 429.589 6.813 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000028697008 556459083 /nfs/dbraw/zinc/45/90/83/556459083.db2.gz PBCBFUPUFKZKJJ-SECBINFHSA-N 0 0 442.755 5.013 50 0 IKAARN Cc1cc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C(C)C)cc1Cl ZINC000013098259 556459144 /nfs/dbraw/zinc/45/91/44/556459144.db2.gz YTZMKQPMXNDSJC-VWLOTQADSA-N 0 0 445.987 5.825 50 0 IKAARN Cc1cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C(C)C)cc1Cl ZINC000013098258 556459162 /nfs/dbraw/zinc/45/91/62/556459162.db2.gz YTZMKQPMXNDSJC-RUZDIDTESA-N 0 0 445.987 5.825 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c21)N1CCC(c2ccccc2)=N1 ZINC000028720140 556459460 /nfs/dbraw/zinc/45/94/60/556459460.db2.gz LJNBNYRHSCHTHU-UHFFFAOYSA-N 0 0 448.548 5.226 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000013100496 556459763 /nfs/dbraw/zinc/45/97/63/556459763.db2.gz RUPZSTCFSRLFMD-SANMLTNESA-N 0 0 439.559 6.004 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nc(-c2cccs2)no1 ZINC000028728364 556459837 /nfs/dbraw/zinc/45/98/37/556459837.db2.gz PLURNAPZCPVSTJ-UHFFFAOYSA-N 0 0 427.533 5.283 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000013099093 556459836 /nfs/dbraw/zinc/45/98/36/556459836.db2.gz JTVXZUYDLPTZHU-UHFFFAOYSA-N 0 0 429.907 5.941 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4ccc(Br)cc4F)c(=O)c23)cc1 ZINC000013100731 556460090 /nfs/dbraw/zinc/46/00/90/556460090.db2.gz UHYSWDSETBKWCR-UHFFFAOYSA-N 0 0 429.314 5.383 50 0 IKAARN CC(=O)N(c1nc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cs1)c1cccc(Cl)c1 ZINC000011034685 556460533 /nfs/dbraw/zinc/46/05/33/556460533.db2.gz ZAEKOYIARUBABB-HXUWFJFHSA-N 0 0 438.940 5.210 50 0 IKAARN CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)C2)cc1 ZINC000014952966 556461143 /nfs/dbraw/zinc/46/11/43/556461143.db2.gz OHKLIUNXJSRBBK-HSZRJFAPSA-N 0 0 447.604 5.005 50 0 IKAARN CN(Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)Cc1ccc(Cl)cc1Cl ZINC000013108039 556461707 /nfs/dbraw/zinc/46/17/07/556461707.db2.gz JLZNVQHHGRANNT-UHFFFAOYSA-N 0 0 441.771 5.383 50 0 IKAARN COc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC000013109078 556462613 /nfs/dbraw/zinc/46/26/13/556462613.db2.gz PHOBEWVBPNURCD-CYBMUJFWSA-N 0 0 448.441 5.389 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 ZINC000013109412 556462914 /nfs/dbraw/zinc/46/29/14/556462914.db2.gz LOKIQSBYRQELKJ-AFMDSPMNSA-N 0 0 442.559 5.887 50 0 IKAARN COc1ccc(C[C@H](NC(=O)Cc2c(Cl)cccc2Cl)c2ccc(OC)cc2)cc1 ZINC000013109441 556462975 /nfs/dbraw/zinc/46/29/75/556462975.db2.gz HDCYRZOHEPUHDZ-QHCPKHFHSA-N 0 0 444.358 5.653 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1)c1cccs1 ZINC000013110015 556463910 /nfs/dbraw/zinc/46/39/10/556463910.db2.gz QBYMFUPKCHTBOO-UHFFFAOYSA-N 0 0 431.517 5.161 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000013109974 556463950 /nfs/dbraw/zinc/46/39/50/556463950.db2.gz CDJBMRUYGWSGOD-UHFFFAOYSA-N 0 0 447.539 5.495 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccccc2nc1C(=O)c1ccc(Cl)cc1 ZINC000032959112 556464870 /nfs/dbraw/zinc/46/48/70/556464870.db2.gz IXRLJMPTMFYMFX-UHFFFAOYSA-N 0 0 438.314 5.521 50 0 IKAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000013112739 556465453 /nfs/dbraw/zinc/46/54/53/556465453.db2.gz QLRGCORIFZDLCF-OAQYLSRUSA-N 0 0 448.592 5.294 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1Cc1ccco1 ZINC000013112749 556465488 /nfs/dbraw/zinc/46/54/88/556465488.db2.gz KOLMKAAASFAPFW-UHFFFAOYSA-N 0 0 438.578 5.376 50 0 IKAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000013112740 556465491 /nfs/dbraw/zinc/46/54/91/556465491.db2.gz QLRGCORIFZDLCF-NRFANRHFSA-N 0 0 448.592 5.294 50 0 IKAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@@H]2c2cccs2)cc1 ZINC000013112736 556465498 /nfs/dbraw/zinc/46/54/98/556465498.db2.gz MBTLCFZQOJYVPP-JOCHJYFZSA-N 0 0 449.576 5.175 50 0 IKAARN Cc1nc(CSc2ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccccc3)cc2)cs1 ZINC000029009325 556465601 /nfs/dbraw/zinc/46/56/01/556465601.db2.gz BCNYBWQNBLDWDW-CVEARBPZSA-N 0 0 440.590 5.167 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000013112914 556465880 /nfs/dbraw/zinc/46/58/80/556465880.db2.gz SQGYTCJRNBTTEP-UHFFFAOYSA-N 0 0 438.530 5.149 50 0 IKAARN Brc1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000013112779 556465926 /nfs/dbraw/zinc/46/59/26/556465926.db2.gz BPVBBATXLQFQAX-UHFFFAOYSA-N 0 0 437.366 5.443 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000013113114 556466134 /nfs/dbraw/zinc/46/61/34/556466134.db2.gz KROJZHJELHQQEU-HUUCEWRRSA-N 0 0 433.499 5.267 50 0 IKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 ZINC000013113183 556466424 /nfs/dbraw/zinc/46/64/24/556466424.db2.gz QNIZSLJTQKKAMO-HNNXBMFYSA-N 0 0 428.561 5.614 50 0 IKAARN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000013114288 556466490 /nfs/dbraw/zinc/46/64/90/556466490.db2.gz UJLGMCDKMDKHLX-GOSISDBHSA-N 0 0 449.551 5.405 50 0 IKAARN Clc1cc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc2c1OCCO2 ZINC000013114679 556467062 /nfs/dbraw/zinc/46/70/62/556467062.db2.gz NTJFCYLSJSLZJG-UHFFFAOYSA-N 0 0 438.940 5.478 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1 ZINC000013116110 556468617 /nfs/dbraw/zinc/46/86/17/556468617.db2.gz LPYISSNPSUTUHJ-UHFFFAOYSA-N 0 0 437.521 5.207 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000013117068 556469159 /nfs/dbraw/zinc/46/91/59/556469159.db2.gz DCHPKZAYTJCZIX-UHFFFAOYSA-N 0 0 437.546 5.132 50 0 IKAARN CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C ZINC000013117391 556469757 /nfs/dbraw/zinc/46/97/57/556469757.db2.gz QQCZQQFKFGSKLN-UHFFFAOYSA-N 0 0 434.565 5.308 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1)c1cccs1 ZINC000013117549 556470111 /nfs/dbraw/zinc/47/01/11/556470111.db2.gz CLMJFJFPKVMANF-KRWDZBQOSA-N 0 0 447.585 5.630 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)o1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000013117512 556470134 /nfs/dbraw/zinc/47/01/34/556470134.db2.gz YNVNYWACNNFHEG-QHCPKHFHSA-N 0 0 449.963 5.312 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1)c1cccs1 ZINC000013117548 556470198 /nfs/dbraw/zinc/47/01/98/556470198.db2.gz CLMJFJFPKVMANF-QGZVFWFLSA-N 0 0 447.585 5.630 50 0 IKAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC1CCCCCC1 ZINC000013117689 556470777 /nfs/dbraw/zinc/47/07/77/556470777.db2.gz FWMAEIVPFWOJAC-UHFFFAOYSA-N 0 0 446.547 5.319 50 0 IKAARN CSc1cccc(NC(=O)N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)c1 ZINC000014981472 556471295 /nfs/dbraw/zinc/47/12/95/556471295.db2.gz IMVWTWJOUKYLNH-UHFFFAOYSA-N 0 0 425.598 5.091 50 0 IKAARN Cc1c(C(=O)N(C)[C@@H](C)c2ccon2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014981852 556471358 /nfs/dbraw/zinc/47/13/58/556471358.db2.gz XIURVDNLAKNNBW-HNNXBMFYSA-N 0 0 425.558 5.123 50 0 IKAARN CN(C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@H]1CCCc2ccccc21 ZINC000029258970 556471370 /nfs/dbraw/zinc/47/13/70/556471370.db2.gz YUYQQPCGCDAPCI-PKOBYXMFSA-N 0 0 434.483 5.044 50 0 IKAARN O=C(COc1ccc2oc3ccccc3c2c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029267775 556471374 /nfs/dbraw/zinc/47/13/74/556471374.db2.gz AZNDZPJOAKEYKS-UHFFFAOYSA-N 0 0 425.488 5.247 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)n2)cc1C ZINC000029266204 556471379 /nfs/dbraw/zinc/47/13/79/556471379.db2.gz VHEVAGLIAWFBGO-HNNXBMFYSA-N 0 0 427.957 5.146 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000013118105 556471467 /nfs/dbraw/zinc/47/14/67/556471467.db2.gz HLENGOXMRCTWPN-INIZCTEOSA-N 0 0 435.549 5.242 50 0 IKAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000013120307 556472376 /nfs/dbraw/zinc/47/23/76/556472376.db2.gz IALWMOUDZXNZPZ-OAQYLSRUSA-N 0 0 430.508 5.040 50 0 IKAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000029325985 556472403 /nfs/dbraw/zinc/47/24/03/556472403.db2.gz VNKWUSIXNDPAMG-UHFFFAOYSA-N 0 0 445.544 5.153 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)ccc2c1 ZINC000013120611 556472552 /nfs/dbraw/zinc/47/25/52/556472552.db2.gz UEVWAFWIDOLHOZ-SFHVURJKSA-N 0 0 440.547 5.576 50 0 IKAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000013120705 556472586 /nfs/dbraw/zinc/47/25/86/556472586.db2.gz FYRQTCKIYNYAKO-UHFFFAOYSA-N 0 0 435.574 5.352 50 0 IKAARN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000072282605 556472675 /nfs/dbraw/zinc/47/26/75/556472675.db2.gz MMDXOYKXQOMCDQ-AREMUKBSSA-N 0 0 444.510 5.011 50 0 IKAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCCCC2)cc1 ZINC000013120766 556473011 /nfs/dbraw/zinc/47/30/11/556473011.db2.gz REVBRUFGJLLGBA-JOCHJYFZSA-N 0 0 434.609 5.452 50 0 IKAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000029349490 556473084 /nfs/dbraw/zinc/47/30/84/556473084.db2.gz BDUPWXVLAMVRPO-NRFANRHFSA-N 0 0 426.588 5.003 50 0 IKAARN Cc1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)n1C1CCCCC1 ZINC000013121046 556473565 /nfs/dbraw/zinc/47/35/65/556473565.db2.gz GRFXYECMODLERE-OAQYLSRUSA-N 0 0 444.601 5.290 50 0 IKAARN Cc1ncc(Cc2ccccc2)c([C@@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)n1 ZINC000014989014 556474113 /nfs/dbraw/zinc/47/41/13/556474113.db2.gz BUJYIPJEDGQXEU-HSZRJFAPSA-N 0 0 429.564 5.183 50 0 IKAARN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(C)=O)ccc1F ZINC000072283613 556474272 /nfs/dbraw/zinc/47/42/72/556474272.db2.gz LKBVWBVOGIIRRU-UHFFFAOYSA-N 0 0 425.426 5.292 50 0 IKAARN CC(C)c1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc2n1 ZINC000013121508 556474390 /nfs/dbraw/zinc/47/43/90/556474390.db2.gz OFRMIMLQMGHTSZ-UHFFFAOYSA-N 0 0 432.549 5.057 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 ZINC000013121839 556474452 /nfs/dbraw/zinc/47/44/52/556474452.db2.gz WRJNNWYFOVHNTF-UHFFFAOYSA-N 0 0 437.455 5.320 50 0 aggregator IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013126735 556475367 /nfs/dbraw/zinc/47/53/67/556475367.db2.gz UQHWLXBZGSUNKG-XBXARRHUSA-N 0 0 433.379 5.010 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c1 ZINC000013127720 556476423 /nfs/dbraw/zinc/47/64/23/556476423.db2.gz BBMONSJWZMLHRB-JOCHJYFZSA-N 0 0 438.549 5.025 50 0 IKAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000029479302 556476504 /nfs/dbraw/zinc/47/65/04/556476504.db2.gz DPTKYFCXXCQZBD-KRWDZBQOSA-N 0 0 426.563 5.319 50 0 IKAARN O=C(CSc1ncnc2ccsc21)N1CCc2sccc2[C@H]1c1cccs1 ZINC000029535972 556477643 /nfs/dbraw/zinc/47/76/43/556477643.db2.gz UCKMSXFOLDMVGK-KRWDZBQOSA-N 0 0 429.617 5.081 50 0 IKAARN COc1cccc(-c2nc(C(=O)Oc3ccc(Cl)c4cccnc34)cs2)c1OC ZINC000029597869 556478265 /nfs/dbraw/zinc/47/82/65/556478265.db2.gz NKQKDSICSGQPSR-UHFFFAOYSA-N 0 0 426.881 5.248 50 0 IKAARN Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccccc3c2=O)cc1 ZINC000013129308 556478873 /nfs/dbraw/zinc/47/88/73/556478873.db2.gz ZAVHVOGEPURIQH-UHFFFAOYSA-N 0 0 443.572 5.101 50 0 IKAARN Cc1sc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc1-c1ccccc1 ZINC000013129450 556479182 /nfs/dbraw/zinc/47/91/82/556479182.db2.gz FBLWDLCVSRCOPL-QFIPXVFZSA-N 0 0 441.556 5.098 50 0 IKAARN O=C(COc1ccc(F)cc1Br)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013129673 556479465 /nfs/dbraw/zinc/47/94/65/556479465.db2.gz XZPZEVOBEKCGOL-UHFFFAOYSA-N 0 0 426.591 5.278 50 0 IKAARN O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)Nc1c(F)cccc1F ZINC000013130162 556479478 /nfs/dbraw/zinc/47/94/78/556479478.db2.gz YGVPWUDDNQDFKX-UHFFFAOYSA-N 0 0 428.508 5.324 50 0 IKAARN Cc1sc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)nc1-c1ccc(F)cc1 ZINC000029648070 556479520 /nfs/dbraw/zinc/47/95/20/556479520.db2.gz FFWFAEUETMMQMU-UHFFFAOYSA-N 0 0 438.553 6.009 50 0 IKAARN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000013130674 556479806 /nfs/dbraw/zinc/47/98/06/556479806.db2.gz UKGXOESSTSTLCT-HNNXBMFYSA-N 0 0 432.358 5.106 50 0 IKAARN Cc1c(C(=O)N(C)[C@H](C)c2nccs2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000015002557 556480537 /nfs/dbraw/zinc/48/05/37/556480537.db2.gz AQMMZZNRYNZVNM-OAHLLOKOSA-N 0 0 441.626 5.592 50 0 IKAARN Cc1ccc(C)c(CSCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)c1 ZINC000013131860 556480691 /nfs/dbraw/zinc/48/06/91/556480691.db2.gz VGVXTKJLAHLQNU-UHFFFAOYSA-N 0 0 426.994 6.355 50 0 IKAARN Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1 ZINC000013131906 556480730 /nfs/dbraw/zinc/48/07/30/556480730.db2.gz VCJAQFFVRKQOSD-UHFFFAOYSA-N 0 0 436.920 5.721 50 0 IKAARN Clc1cccc(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)c1 ZINC000013131572 556480749 /nfs/dbraw/zinc/48/07/49/556480749.db2.gz PZZGIHNISHUEKF-UHFFFAOYSA-N 0 0 436.968 5.588 50 0 IKAARN Cc1ccc(-n2c(S[C@H](C)c3nc(-c4ccco4)no3)nnc2N2CCCCC2)cc1 ZINC000029740093 556481238 /nfs/dbraw/zinc/48/12/38/556481238.db2.gz QAZKIQIDPQUKQV-MRXNPFEDSA-N 0 0 436.541 5.062 50 0 IKAARN CCCCOCCN(C(=O)c1ccn(-c2ccccc2)n1)c1ccccc1Br ZINC000072288270 556481266 /nfs/dbraw/zinc/48/12/66/556481266.db2.gz DYYSKKMUIBSIFJ-UHFFFAOYSA-N 0 0 442.357 5.098 50 0 IKAARN O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1Sc1nc2ccccc2s1)c1ccccc1 ZINC000013133815 556481320 /nfs/dbraw/zinc/48/13/20/556481320.db2.gz VOKYGOZSFFERIH-CTNGQTDRSA-N 0 0 438.599 5.033 50 0 IKAARN Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1Cc1ccccc1Cl ZINC000013133677 556481355 /nfs/dbraw/zinc/48/13/55/556481355.db2.gz JBMIGYOTECDKJQ-UHFFFAOYSA-N 0 0 436.968 5.362 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000011059557 556482460 /nfs/dbraw/zinc/48/24/60/556482460.db2.gz LKBMGMLWINKEPM-UHFFFAOYSA-N 0 0 431.923 5.974 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c12 ZINC000029797004 556482816 /nfs/dbraw/zinc/48/28/16/556482816.db2.gz ABIQMEORTOLHCE-SFHVURJKSA-N 0 0 447.516 5.008 50 0 IKAARN Cc1cc(C)c(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c(C)c1 ZINC000013135086 556483164 /nfs/dbraw/zinc/48/31/64/556483164.db2.gz PRXGQRYLMFADSW-UHFFFAOYSA-N 0 0 428.579 5.276 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)Nc1ccccc1Cc1ccccc1)c2-n1cccc1 ZINC000013137849 556484698 /nfs/dbraw/zinc/48/46/98/556484698.db2.gz UIDLOTUZJQRBBG-UHFFFAOYSA-N 0 0 437.568 6.547 50 0 IKAARN CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@@H]1CC1(Cl)Cl ZINC000013137918 556484701 /nfs/dbraw/zinc/48/47/01/556484701.db2.gz HWRWUYBUEWRLEC-LBPRGKRZSA-N 0 0 434.820 6.158 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000013138038 556484997 /nfs/dbraw/zinc/48/49/97/556484997.db2.gz RQPRFKUNZKSXGL-IIBYNOLFSA-N 0 0 439.556 5.819 50 0 IKAARN O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1Br ZINC000013138558 556485351 /nfs/dbraw/zinc/48/53/51/556485351.db2.gz DQLBNYGEEFOJCR-UHFFFAOYSA-N 0 0 438.321 5.153 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1-2 ZINC000015016236 556485494 /nfs/dbraw/zinc/48/54/94/556485494.db2.gz MWVMDAGVBGIUBL-LJQANCHMSA-N 0 0 442.928 5.316 50 0 IKAARN CCOc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1O ZINC000015016217 556485580 /nfs/dbraw/zinc/48/55/80/556485580.db2.gz WFJJQGIPNNPAOO-VGOFRKELSA-N 0 0 426.925 5.748 50 0 IKAARN CC(=O)Oc1ccc(Br)cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 ZINC000015016593 556485750 /nfs/dbraw/zinc/48/57/50/556485750.db2.gz VAPGUTWYXJCQSB-JXMROGBWSA-N 0 0 426.266 5.018 50 0 IKAARN O=C(c1cn(Cc2ccccc2)nn1)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 ZINC000072290489 556485870 /nfs/dbraw/zinc/48/58/70/556485870.db2.gz BZTIMLOFWNXZOU-UHFFFAOYSA-N 0 0 443.595 5.296 50 0 IKAARN CC(C)CNC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000013141030 556486002 /nfs/dbraw/zinc/48/60/02/556486002.db2.gz RPOWKTHKFYMUEA-UHFFFAOYSA-N 0 0 436.625 5.392 50 0 IKAARN COc1cccc2ccc(/C=C/c3cc(I)c(OC)c(OC)c3)nc21 ZINC000015016709 556486169 /nfs/dbraw/zinc/48/61/69/556486169.db2.gz VXOQUFWJCDYQNR-VQHVLOKHSA-N 0 0 447.272 5.036 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1OC ZINC000015016766 556486276 /nfs/dbraw/zinc/48/62/76/556486276.db2.gz CKEJMSPMXUACNS-VGOFRKELSA-N 0 0 426.925 5.661 50 0 IKAARN Clc1ccc(-c2ccc([C@H]3Oc4ccccc4[C@@H]4CC(c5cccs5)=NN43)o2)cc1 ZINC000015016868 556486295 /nfs/dbraw/zinc/48/62/95/556486295.db2.gz KWFMTDGEKLYMFB-YADARESESA-N 0 0 432.932 6.904 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)Nc1ccccc1 ZINC000013141077 556486364 /nfs/dbraw/zinc/48/63/64/556486364.db2.gz HNFMRPMFKVYUHO-UHFFFAOYSA-N 0 0 432.524 5.058 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccsc1)N(C(C)=O)c1ccccc1-2 ZINC000015016981 556486415 /nfs/dbraw/zinc/48/64/15/556486415.db2.gz SEYYJMFISSFYCA-HXUWFJFHSA-N 0 0 426.567 5.327 50 0 IKAARN COCCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000013141235 556486582 /nfs/dbraw/zinc/48/65/82/556486582.db2.gz LPNMYYNPRKVXMR-UHFFFAOYSA-N 0 0 440.956 5.010 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 ZINC000013141877 556487194 /nfs/dbraw/zinc/48/71/94/556487194.db2.gz UOXNLMOECDGFKF-UHFFFAOYSA-N 0 0 429.954 5.952 50 0 IKAARN Cc1csc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2-c2ccccc2)n1 ZINC000015018888 556487173 /nfs/dbraw/zinc/48/71/73/556487173.db2.gz NEHAKRRHMYXHJI-UHFFFAOYSA-N 0 0 447.545 5.176 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCc3cc(=O)oc4cc(C)ccc34)c3ccccc3n2)o1 ZINC000013142024 556487258 /nfs/dbraw/zinc/48/72/58/556487258.db2.gz BZCHMDYVJCLYCJ-UHFFFAOYSA-N 0 0 425.440 5.575 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000029983180 556487994 /nfs/dbraw/zinc/48/79/94/556487994.db2.gz UPBNMXQEJRAFBQ-UHFFFAOYSA-N 0 0 440.465 5.700 50 0 IKAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)Nc1ccccc1Cl ZINC000013146125 556488101 /nfs/dbraw/zinc/48/81/01/556488101.db2.gz MZMUBNSRDYAFAC-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc12 ZINC000013146468 556488387 /nfs/dbraw/zinc/48/83/87/556488387.db2.gz GFXBXUHQSXPYEL-UHFFFAOYSA-N 0 0 434.521 5.910 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2ncn(-c3ccccc3)n2)cs1 ZINC000032876431 556488435 /nfs/dbraw/zinc/48/84/35/556488435.db2.gz QICQMBLEYCDQNR-UHFFFAOYSA-N 0 0 435.578 5.263 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)c1ccccc1n3C)O[C@@H]1CCCC[C@@H]21 ZINC000015024257 556488859 /nfs/dbraw/zinc/48/88/59/556488859.db2.gz DWQSSIFTRHQFQG-XECDKEEKSA-N 0 0 427.544 6.495 50 0 IKAARN O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(N2CCCCCC2)nc1 ZINC000030017742 556489536 /nfs/dbraw/zinc/48/95/36/556489536.db2.gz DKBJLIWYDAQICO-HUUCEWRRSA-N 0 0 437.428 5.101 50 0 IKAARN O=C(COc1ccc2c(c1)CCC2)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000013148215 556489744 /nfs/dbraw/zinc/48/97/44/556489744.db2.gz SYIBKTKNYNGSTE-HHHXNRCGSA-N 0 0 425.484 5.203 50 0 IKAARN O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1n[nH]c(=O)c2ccccc21 ZINC000013148475 556490009 /nfs/dbraw/zinc/49/00/09/556490009.db2.gz IWACPHXWWCVXKE-UHFFFAOYSA-N 0 0 430.533 5.347 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000013149264 556491031 /nfs/dbraw/zinc/49/10/31/556491031.db2.gz BUZUHPLEESNFGI-ZDUSSCGKSA-N 0 0 441.578 5.817 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[C@H]3OC(=O)c4ccccc43)nc21 ZINC000013149863 556491575 /nfs/dbraw/zinc/49/15/75/556491575.db2.gz VZQFBPVHELPJDL-HXUWFJFHSA-N 0 0 428.513 5.440 50 0 IKAARN FC(F)(F)c1cccc(Cc2noc(CN3CCCC[C@@H]3CCc3ccccn3)n2)c1 ZINC000015064453 556491714 /nfs/dbraw/zinc/49/17/14/556491714.db2.gz FYGPCVMMIZSISI-HXUWFJFHSA-N 0 0 430.474 5.062 50 0 IKAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1ccc(SC(F)F)cc1 ZINC000013150019 556492026 /nfs/dbraw/zinc/49/20/26/556492026.db2.gz XKMVIQJOZXLMDX-UHFFFAOYSA-N 0 0 443.500 5.691 50 0 IKAARN O=S(=O)(NC[C@@H](Sc1c(Cl)cccc1Cl)c1ccccc1)c1ccccc1 ZINC000013150427 556492240 /nfs/dbraw/zinc/49/22/40/556492240.db2.gz MIPVCGFNLAYTOB-LJQANCHMSA-N 0 0 438.401 5.805 50 0 IKAARN C[C@@H](O)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc([C@H](C)O)c3)c2)c1 ZINC000013151348 556492646 /nfs/dbraw/zinc/49/26/46/556492646.db2.gz VGFLXUCCRNYIKX-IYBDPMFKSA-N 0 0 434.496 5.081 50 0 IKAARN C[C@@H](c1ccccn1)N(C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000015065566 556492733 /nfs/dbraw/zinc/49/27/33/556492733.db2.gz VFWLUPCQCQDNTK-ZDUSSCGKSA-N 0 0 430.455 5.310 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1nc(-c3ccccc3)cs1)C1c3ccccc3C2c2ccccc21 ZINC000013154493 556493357 /nfs/dbraw/zinc/49/33/57/556493357.db2.gz IKDRWQHOOLNCFI-ULBZPVTCSA-N 0 0 434.520 5.207 50 0 aggregator IKAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000015067636 556493896 /nfs/dbraw/zinc/49/38/96/556493896.db2.gz LZQNEGUQUIZGCL-QHCPKHFHSA-N 0 0 436.559 5.326 50 0 IKAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1nccnc1-c1nc2ccccc2s1 ZINC000013164402 556496456 /nfs/dbraw/zinc/49/64/56/556496456.db2.gz URMAPUOLGPVROD-UHFFFAOYSA-N 0 0 430.489 5.047 50 0 IKAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2F)c1 ZINC000013164434 556496498 /nfs/dbraw/zinc/49/64/98/556496498.db2.gz UTYFCFXGVZXAPM-UHFFFAOYSA-N 0 0 444.503 5.213 50 0 IKAARN Cc1ccc(CNC(=O)COc2cc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 ZINC000013164606 556496784 /nfs/dbraw/zinc/49/67/84/556496784.db2.gz BEXMEGGXAFBNJE-UHFFFAOYSA-N 0 0 438.527 5.404 50 0 IKAARN CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccccc3C(F)(F)F)sc2C)s1 ZINC000030528810 556497019 /nfs/dbraw/zinc/49/70/19/556497019.db2.gz XZUCUGYHIMLPRW-UHFFFAOYSA-N 0 0 439.484 5.087 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccnn3Cc3cccc(C)c3)c12 ZINC000030526834 556497039 /nfs/dbraw/zinc/49/70/39/556497039.db2.gz QDHMVXHTFQCPPI-UHFFFAOYSA-N 0 0 429.505 5.065 50 0 IKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)Cc1ccc(-n2cccn2)cc1 ZINC000015074475 556498435 /nfs/dbraw/zinc/49/84/35/556498435.db2.gz HJUZEHGIRRBMNS-UHFFFAOYSA-N 0 0 426.442 5.487 50 0 IKAARN O[C@@H](c1cccs1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000015075157 556498741 /nfs/dbraw/zinc/49/87/41/556498741.db2.gz AFGTVLYILURSCZ-RUZDIDTESA-N 0 0 445.588 5.257 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccccc3SC)C2)cc1Cl ZINC000015075272 556498874 /nfs/dbraw/zinc/49/88/74/556498874.db2.gz OHHBUJHPXXGBCW-INIZCTEOSA-N 0 0 447.000 5.342 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3SC)C2)cc1Cl ZINC000015075273 556498889 /nfs/dbraw/zinc/49/88/89/556498889.db2.gz OHHBUJHPXXGBCW-MRXNPFEDSA-N 0 0 447.000 5.342 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000015082384 556501665 /nfs/dbraw/zinc/50/16/65/556501665.db2.gz BSWNXOZNXJCPEP-UHFFFAOYSA-N 0 0 428.488 5.488 50 0 IKAARN O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000030668858 556501775 /nfs/dbraw/zinc/50/17/75/556501775.db2.gz LUHWYSCDEBZDPW-UHFFFAOYSA-N 0 0 431.879 5.177 50 0 IKAARN O=C(c1ccncc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000013301237 556501787 /nfs/dbraw/zinc/50/17/87/556501787.db2.gz SEHDOBWHDBZZQU-JNMDKLMCSA-N 0 0 429.470 5.797 50 0 IKAARN O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2nc(Cl)nc(Cl)c2C1 ZINC000030678389 556501826 /nfs/dbraw/zinc/50/18/26/556501826.db2.gz AYCKHGGFLCWKMC-UHFFFAOYSA-N 0 0 426.303 5.091 50 0 IKAARN COc1ccc(OC)c([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)c1 ZINC000013306260 556502397 /nfs/dbraw/zinc/50/23/97/556502397.db2.gz DFNUKLWOIVJRSG-HSZRJFAPSA-N 0 0 443.528 5.236 50 0 IKAARN CC(C)Cn1c(/C=C(/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 ZINC000004418756 556502400 /nfs/dbraw/zinc/50/24/00/556502400.db2.gz XFRIWSAFDWRSKX-BUVRLJJBSA-N 0 0 432.470 6.326 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccc(C)cc2)cc1 ZINC000015088845 556502918 /nfs/dbraw/zinc/50/29/18/556502918.db2.gz GULHQQNIROVFJX-OAQYLSRUSA-N 0 0 448.733 6.440 50 0 IKAARN COc1ccc(Cl)cc1N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000013364347 556503100 /nfs/dbraw/zinc/50/31/00/556503100.db2.gz LLMZMHIUAINDIW-HXUWFJFHSA-N 0 0 426.303 6.254 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000013382003 556503826 /nfs/dbraw/zinc/50/38/26/556503826.db2.gz IPMDGAWFOPGSPG-RDPSFJRHSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccc(-c2cc(-c3sc4nc(C)cc(C)c4c3N(C(C)=O)C(C)=O)on2)cc1 ZINC000015107983 556504503 /nfs/dbraw/zinc/50/45/03/556504503.db2.gz OCUKBUKZMWYAMW-UHFFFAOYSA-N 0 0 435.505 5.143 50 0 IKAARN Cc1ccc(OCc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000030813721 556506494 /nfs/dbraw/zinc/50/64/94/556506494.db2.gz PVKYPPHUQYDMEI-UHFFFAOYSA-N 0 0 444.453 5.148 50 0 IKAARN CC(C)c1ccc([C@H]2SCC(=O)N2c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004556352 556506569 /nfs/dbraw/zinc/50/65/69/556506569.db2.gz LIODOMVPIALZOX-MOHDYROWSA-N 0 0 431.645 7.056 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000030819272 556506581 /nfs/dbraw/zinc/50/65/81/556506581.db2.gz UXQXYVUKQRRWQM-UHFFFAOYSA-N 0 0 432.527 5.798 50 0 IKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000013475552 556507448 /nfs/dbraw/zinc/50/74/48/556507448.db2.gz QVLMCRFQGHWOPM-ZKWNWVNESA-N 0 0 439.640 7.163 50 0 in-vitro IKAARN Cc1nc(SCc2c(Cl)cccc2Cl)[nH]c(=O)c1Cc1c(F)cccc1Cl ZINC000013468251 556507598 /nfs/dbraw/zinc/50/75/98/556507598.db2.gz AZUCHUDNGZUPPX-UHFFFAOYSA-N 0 0 443.758 6.473 50 0 IKAARN O=C(Nc1ccccc1)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccccc1F ZINC000004422359 556508482 /nfs/dbraw/zinc/50/84/82/556508482.db2.gz OBOMEJQRUZELLH-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN COc1ccc2o/c(=N\c3ccc(C(F)(F)F)cc3)c(C(=O)Nc3ccccc3)cc2c1 ZINC000004422343 556508506 /nfs/dbraw/zinc/50/85/06/556508506.db2.gz GZEFMWHEYFFJHY-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN CC(=O)N[C@@H](CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)c1cccs1 ZINC000032882503 556509073 /nfs/dbraw/zinc/50/90/73/556509073.db2.gz FGBTYLDZHDCCSA-QFIPXVFZSA-N 0 0 444.560 5.115 50 0 IKAARN CCC(C)(C)C(=O)[C@@H]1[C@](C)(c2ccccc2)CC(c2ccccc2)=C[C@@]1(O)C(C)(C)CC ZINC000013510310 556510271 /nfs/dbraw/zinc/51/02/71/556510271.db2.gz JYXYBEIHSGHFQN-CPESWEKQSA-N 0 0 432.648 7.220 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Br)c1)O2 ZINC000013511026 556510289 /nfs/dbraw/zinc/51/02/89/556510289.db2.gz ANQNCBIYXZXRGW-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000013512296 556510549 /nfs/dbraw/zinc/51/05/49/556510549.db2.gz AMGADLQGZRNVQK-BSUKRJNLSA-N 0 0 433.382 7.794 50 0 IKAARN O=C(c1ccc(Br)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000013512553 556510872 /nfs/dbraw/zinc/51/08/72/556510872.db2.gz SMKNEWPCJXBHSH-REWPJTCUSA-N 0 0 433.305 5.202 50 0 IKAARN CC(C)CCSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 ZINC000013514201 556511088 /nfs/dbraw/zinc/51/10/88/556511088.db2.gz IRYYEYXLKQCJAU-UHFFFAOYSA-N 0 0 435.412 6.449 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1 ZINC000013518297 556511471 /nfs/dbraw/zinc/51/14/71/556511471.db2.gz QZAJWAVEPFKMJL-OAQYLSRUSA-N 0 0 425.488 5.031 50 0 IKAARN O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000032888479 556511528 /nfs/dbraw/zinc/51/15/28/556511528.db2.gz DXOOCJNIDNBELP-UHFFFAOYSA-N 0 0 443.528 5.108 50 0 IKAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 ZINC000013518305 556511521 /nfs/dbraw/zinc/51/15/21/556511521.db2.gz WMPFMYFLWNBVST-OAQYLSRUSA-N 0 0 425.488 5.031 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1OC ZINC000013519429 556512062 /nfs/dbraw/zinc/51/20/62/556512062.db2.gz DVKAGVICOJWTIR-UHFFFAOYSA-N 0 0 432.476 5.395 50 0 IKAARN CCCCCc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000013526085 556512327 /nfs/dbraw/zinc/51/23/27/556512327.db2.gz PCAILMSYEOCYJT-MRXNPFEDSA-N 0 0 430.932 5.001 50 0 IKAARN C[C@H](NC(=O)CSc1nc2ccccc2n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013526785 556512697 /nfs/dbraw/zinc/51/26/97/556512697.db2.gz NEKMBZQNMLHGLG-MBBDBFLNSA-N 0 0 445.632 5.839 50 0 IKAARN Cc1cc(C(=O)CSc2ccc3ccccc3n2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013526469 556512702 /nfs/dbraw/zinc/51/27/02/556512702.db2.gz NXJWAZJBDHCPJF-UHFFFAOYSA-N 0 0 430.529 5.405 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013536019 556513334 /nfs/dbraw/zinc/51/33/34/556513334.db2.gz LUEVWYISICJEBT-SHQCIBLASA-N 0 0 428.532 6.116 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013536014 556513346 /nfs/dbraw/zinc/51/33/46/556513346.db2.gz LUEVWYISICJEBT-SQHAQQRYSA-N 0 0 428.532 6.116 50 0 IKAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000013548860 556514624 /nfs/dbraw/zinc/51/46/24/556514624.db2.gz ABPAPTXDPXZUCP-OAQYLSRUSA-N 0 0 429.586 6.087 50 0 IKAARN CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000072294853 556514676 /nfs/dbraw/zinc/51/46/76/556514676.db2.gz MCJLBIKREMNEHK-AFAVFJNCSA-N 0 0 425.413 5.037 50 0 IKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(Br)ccc1Cl ZINC000032895251 556514870 /nfs/dbraw/zinc/51/48/70/556514870.db2.gz QZCHYVGGWJKURU-UHFFFAOYSA-N 0 0 428.664 5.120 50 0 IKAARN CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000013551959 556515204 /nfs/dbraw/zinc/51/52/04/556515204.db2.gz UDXNANYSAOVFQX-UHFFFAOYSA-N 0 0 427.500 5.657 50 0 IKAARN Ic1cccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1 ZINC000013552818 556515355 /nfs/dbraw/zinc/51/53/55/556515355.db2.gz CPQTWXCSTXERDU-UHFFFAOYSA-N 0 0 428.298 6.077 50 0 IKAARN COc1ccccc1NC(=O)CSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 ZINC000013554357 556515372 /nfs/dbraw/zinc/51/53/72/556515372.db2.gz DUEJYPQHYPHDBE-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2Nc2ccc(C)c(Cl)c2)c1-c1ccc(Cl)cc1 ZINC000013555011 556515856 /nfs/dbraw/zinc/51/58/56/556515856.db2.gz WCVDASYONFZXNY-UHFFFAOYSA-N 0 0 439.390 7.361 50 0 IKAARN COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)COC(C)(C)C3)c1 ZINC000013555179 556516058 /nfs/dbraw/zinc/51/60/58/556516058.db2.gz ILWFZKRQPRGVDJ-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN Cc1ccc([C@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@@H](C(C)C)C2)cc1 ZINC000013555290 556516205 /nfs/dbraw/zinc/51/62/05/556516205.db2.gz HWGMGUWZMIRCFG-DENIHFKCSA-N 0 0 434.374 5.243 50 0 IKAARN O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1c1cccc(C(F)(F)F)c1 ZINC000015303915 556517141 /nfs/dbraw/zinc/51/71/41/556517141.db2.gz WUQZEWTUYPDDIM-IBGZPJMESA-N 0 0 437.248 6.783 50 0 IKAARN O=C(CCSCc1cn2ccccc2n1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000030945589 556517320 /nfs/dbraw/zinc/51/73/20/556517320.db2.gz PJJYUQZKOVBWHV-LJQANCHMSA-N 0 0 436.606 5.321 50 0 IKAARN CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@H]1CC2 ZINC000015305020 556517657 /nfs/dbraw/zinc/51/76/57/556517657.db2.gz VFXUNXVHKCKVQJ-ZNZIZOMTSA-N 0 0 443.628 5.938 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000013563253 556518295 /nfs/dbraw/zinc/51/82/95/556518295.db2.gz PZZQAYBEEYXVLQ-UZLBHIALSA-N 0 0 433.371 5.339 50 0 IKAARN COc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1NC(=O)c1cccs1 ZINC000013566135 556518915 /nfs/dbraw/zinc/51/89/15/556518915.db2.gz FGBCSSMECLLUCM-UHFFFAOYSA-N 0 0 436.920 6.068 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)cc1 ZINC000015316038 556518978 /nfs/dbraw/zinc/51/89/78/556518978.db2.gz BZIABSKZMMZNJD-UHFFFAOYSA-N 0 0 440.499 5.508 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2c(C)cccc2C)n1 ZINC000032891488 556519175 /nfs/dbraw/zinc/51/91/75/556519175.db2.gz BNJGTFDXWGMTRA-JOCHJYFZSA-N 0 0 434.565 5.421 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1OC ZINC000013568801 556521281 /nfs/dbraw/zinc/52/12/81/556521281.db2.gz FOBPDXDNDLHIAY-UHFFFAOYSA-N 0 0 438.867 5.432 50 0 IKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000015324006 556521625 /nfs/dbraw/zinc/52/16/25/556521625.db2.gz PPXPOWLVFCRNHI-UHFFFAOYSA-N 0 0 429.530 5.372 50 0 IKAARN Cc1ccc([C@@H](Nc2cccc(C(F)(F)F)c2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000003109476 556521857 /nfs/dbraw/zinc/52/18/57/556521857.db2.gz NQRQSCJVSDBJJQ-FQEVSTJZSA-N 0 0 429.419 7.168 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cs1)c1ccccc1F ZINC000072298248 556521938 /nfs/dbraw/zinc/52/19/38/556521938.db2.gz FGZUURNILPZFHC-OAGJVSPASA-N 0 0 443.466 5.073 50 0 IKAARN CSc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1F ZINC000072296886 556522607 /nfs/dbraw/zinc/52/26/07/556522607.db2.gz KYDQSWUMBQQEAX-UHFFFAOYSA-N 0 0 425.510 5.628 50 0 IKAARN CCCCN(CCCC)C(=O)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000013571787 556522650 /nfs/dbraw/zinc/52/26/50/556522650.db2.gz KDZOYHMMBFLVFW-UHFFFAOYSA-N 0 0 441.641 5.516 50 0 IKAARN COc1ccc(CNC(=O)[C@H](C)Oc2ccc(-c3nc4ccccc4s3)cc2)cc1OC ZINC000015393988 556524132 /nfs/dbraw/zinc/52/41/32/556524132.db2.gz ALNFCBYWZHITMU-INIZCTEOSA-N 0 0 448.544 5.064 50 0 IKAARN Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)c1C ZINC000015412411 556525117 /nfs/dbraw/zinc/52/51/17/556525117.db2.gz BDAIBQIQJLCCFT-SANMLTNESA-N 0 0 446.978 6.201 50 0 IKAARN COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@H]1/C(C)=C/c1ccccc1 ZINC000015412596 556525366 /nfs/dbraw/zinc/52/53/66/556525366.db2.gz NQXHWDAJUJXYFG-KLIIMXHUSA-N 0 0 440.543 5.164 50 0 IKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(Cl)cc1 ZINC000015413045 556525663 /nfs/dbraw/zinc/52/56/63/556525663.db2.gz ZXJHKGHPSCMZCD-NIVBKCCZSA-N 0 0 444.962 5.809 50 0 IKAARN CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000015413243 556526008 /nfs/dbraw/zinc/52/60/08/556526008.db2.gz UZWBREBAKUUHQM-RUZDIDTESA-N 0 0 430.573 5.455 50 0 IKAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015413232 556526077 /nfs/dbraw/zinc/52/60/77/556526077.db2.gz SJRBNLKNBWXZME-HHHXNRCGSA-N 0 0 442.559 5.638 50 0 IKAARN CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000015413245 556526108 /nfs/dbraw/zinc/52/61/08/556526108.db2.gz LFTHMJANVMMQIJ-VWLOTQADSA-N 0 0 430.573 5.455 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000004426980 556527032 /nfs/dbraw/zinc/52/70/32/556527032.db2.gz NFGRVVXYMOCXDC-DEOSSOPVSA-N 0 0 446.963 5.850 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)ccc2Cl)cc1 ZINC000013583780 556528668 /nfs/dbraw/zinc/52/86/68/556528668.db2.gz MGPOXCRYZBJATN-UHFFFAOYSA-N 0 0 434.923 5.503 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSC(c1ccccc1)c1ccccc1 ZINC000015473449 556529840 /nfs/dbraw/zinc/52/98/40/556529840.db2.gz QHGAWAVNZDVFNS-UHFFFAOYSA-N 0 0 432.589 5.223 50 0 IKAARN Clc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)c(Cl)c1 ZINC000013597073 556532305 /nfs/dbraw/zinc/53/23/05/556532305.db2.gz PAKSOCYZOCIWFS-UHFFFAOYSA-N 0 0 434.153 8.024 50 0 IKAARN COCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000013597988 556532373 /nfs/dbraw/zinc/53/23/73/556532373.db2.gz WJEACRVWNJGLOJ-IZHYLOQSSA-N 0 0 433.533 5.249 50 0 IKAARN COc1cccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)c1OC ZINC000013598088 556532714 /nfs/dbraw/zinc/53/27/14/556532714.db2.gz GRNHFPWBUHLTLO-UHFFFAOYSA-N 0 0 425.315 6.735 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)s1 ZINC000015523013 556533065 /nfs/dbraw/zinc/53/30/65/556533065.db2.gz MNORDRXJQFCHPV-UHFFFAOYSA-N 0 0 435.618 5.088 50 0 IKAARN Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)ccc1Br ZINC000013608183 556533854 /nfs/dbraw/zinc/53/38/54/556533854.db2.gz FQODGPOGAWRALP-UHFFFAOYSA-N 0 0 429.192 5.285 50 0 IKAARN COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3cc(OC(C)C)ccc3o2)cc1 ZINC000013609690 556534376 /nfs/dbraw/zinc/53/43/76/556534376.db2.gz SLMVLVXQDDNGMB-HPNDGRJYSA-N 0 0 429.472 5.857 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616697 556535559 /nfs/dbraw/zinc/53/55/59/556535559.db2.gz RNVLEJUOJYSRFI-YLJYHZDGSA-N 0 0 429.314 5.892 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616609 556535588 /nfs/dbraw/zinc/53/55/88/556535588.db2.gz JTOHHIUGYCNVHE-UTKZUKDTSA-N 0 0 429.328 5.807 50 0 IKAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1Cl ZINC000013623793 556535995 /nfs/dbraw/zinc/53/59/95/556535995.db2.gz RNGGXKNIYBUWIT-LRDDRELGSA-N 0 0 440.809 5.051 50 0 IKAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1Cl ZINC000013623791 556536155 /nfs/dbraw/zinc/53/61/55/556536155.db2.gz RNGGXKNIYBUWIT-WBMJQRKESA-N 0 0 440.809 5.051 50 0 IKAARN Cc1nn(C)c(C)c1NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC000032902560 556536471 /nfs/dbraw/zinc/53/64/71/556536471.db2.gz YWXYDPJLWGUHMO-UHFFFAOYSA-N 0 0 446.363 5.510 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1 ZINC000013625256 556536772 /nfs/dbraw/zinc/53/67/72/556536772.db2.gz RSKCTAFSKUTHIO-UHFFFAOYSA-N 0 0 447.347 5.286 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 ZINC000013628883 556538293 /nfs/dbraw/zinc/53/82/93/556538293.db2.gz FPTOQPUJIUZXEL-UHFFFAOYSA-N 0 0 448.331 5.115 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000013629613 556538824 /nfs/dbraw/zinc/53/88/24/556538824.db2.gz ZJPWBVZRYPWPJT-UHFFFAOYSA-N 0 0 442.730 6.121 50 0 IKAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013629521 556538844 /nfs/dbraw/zinc/53/88/44/556538844.db2.gz BCKNYEBMFFDHFP-UHFFFAOYSA-N 0 0 432.907 5.272 50 0 IKAARN CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000013631171 556539125 /nfs/dbraw/zinc/53/91/25/556539125.db2.gz VTEIUUMKPHGZPD-HXUWFJFHSA-N 0 0 430.548 5.787 50 0 IKAARN COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000015636713 556539600 /nfs/dbraw/zinc/53/96/00/556539600.db2.gz XFZZZWVPJYLRSW-HSZRJFAPSA-N 0 0 427.331 6.366 50 0 IKAARN Fc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1cccc(Cl)c1 ZINC000015636054 556539614 /nfs/dbraw/zinc/53/96/14/556539614.db2.gz REDDTNLLJBZXNR-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN CCCCCCc1cc2cc(C(=O)Nc3ccccc3Br)c(=O)oc2cc1O ZINC000013633625 556540173 /nfs/dbraw/zinc/54/01/73/556540173.db2.gz XYHZJEBGJDMILP-UHFFFAOYSA-N 0 0 444.325 5.636 50 0 IKAARN Cc1ccc2[nH]c(=O)c(-c3cc(-c4ccccc4)c4ccccc4n3)c(-c3ccccc3)c2c1 ZINC000015659926 556541500 /nfs/dbraw/zinc/54/15/00/556541500.db2.gz JSKZPTCIYURDJY-UHFFFAOYSA-N 0 0 438.530 7.386 50 0 IKAARN COCc1nn2c(ncc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638337 556541932 /nfs/dbraw/zinc/54/19/32/556541932.db2.gz XXPNULXAIFBYAU-QGZVFWFLSA-N 0 0 447.922 5.117 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cc(C)nc4onc(-c5ccc6c(c5)OCO6)c43)sc2c1 ZINC000013641174 556542172 /nfs/dbraw/zinc/54/21/72/556542172.db2.gz NYXPKTFHIPDQQW-UHFFFAOYSA-N 0 0 444.472 5.097 50 0 IKAARN C[C@H](NC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21)c1ccncc1 ZINC000013641319 556542179 /nfs/dbraw/zinc/54/21/79/556542179.db2.gz WAYUHXJFBNBGAS-HNNXBMFYSA-N 0 0 426.501 5.504 50 0 IKAARN COc1ccc(NC(=O)c2noc(C)c2COc2cccc(C(F)(F)F)c2)cc1Cl ZINC000013640948 556542263 /nfs/dbraw/zinc/54/22/63/556542263.db2.gz XSNFAVGXRCOBJY-UHFFFAOYSA-N 0 0 440.805 5.495 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c32)c(C)c1 ZINC000013641579 556542554 /nfs/dbraw/zinc/54/25/54/556542554.db2.gz FIGIVEWJFZCWBO-INIZCTEOSA-N 0 0 429.476 5.035 50 0 IKAARN CCn1nnc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)n1 ZINC000032617136 556542602 /nfs/dbraw/zinc/54/26/02/556542602.db2.gz RFOGPEOCLJPXFM-UHFFFAOYSA-N 0 0 428.323 5.344 50 0 IKAARN Cc1c(-c2ccc(C)cc2)nn(-c2nc(C(F)F)cc(C3CC3)n2)c1-c1ccc(C)cc1 ZINC000013643517 556542848 /nfs/dbraw/zinc/54/28/48/556542848.db2.gz ZFKMPSBLCWYMHN-UHFFFAOYSA-N 0 0 430.502 6.737 50 0 IKAARN O=C(CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1)c1ccc2c(c1)OCCO2 ZINC000013643421 556542910 /nfs/dbraw/zinc/54/29/10/556542910.db2.gz YZZHJYOMIVIBPJ-UHFFFAOYSA-N 0 0 433.316 5.197 50 0 IKAARN c1coc(C2=NN(c3ccccc3)[C@H](c3cn(-c4ccccc4)nc3-c3cccnc3)C2)c1 ZINC000015685894 556543292 /nfs/dbraw/zinc/54/32/92/556543292.db2.gz SNSKPFLFCFUDOX-VWLOTQADSA-N 0 0 431.499 5.883 50 0 IKAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645097 556543273 /nfs/dbraw/zinc/54/32/73/556543273.db2.gz RSTRJQCUULJKKI-UHFFFAOYSA-N 0 0 446.816 5.281 50 0 IKAARN Fc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccccc5)no4)cc3n2)cc1 ZINC000013644866 556543309 /nfs/dbraw/zinc/54/33/09/556543309.db2.gz QVBXJCCANUDYQT-UHFFFAOYSA-N 0 0 425.345 5.271 50 0 IKAARN O[C@H](Cn1cnc(-c2ccccc2)c1-c1ccccc1)Cn1c2ccccc2c2c1CCCC2 ZINC000015686284 556543352 /nfs/dbraw/zinc/54/33/52/556543352.db2.gz FICWYDDDYLTDOG-XMMPIXPASA-N 0 0 447.582 6.112 50 0 IKAARN O=C([C@H]1CCCC[C@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904473 556543972 /nfs/dbraw/zinc/54/39/72/556543972.db2.gz YKBICSCPQRCOBS-RTWAWAEBSA-N 0 0 441.600 6.367 50 0 IKAARN Cc1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000015723075 556545262 /nfs/dbraw/zinc/54/52/62/556545262.db2.gz OJOLPHALPNNSDK-FYJGNVAPSA-N 0 0 425.315 5.711 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1Cl ZINC000015724795 556545959 /nfs/dbraw/zinc/54/59/59/556545959.db2.gz MORKTWYVCQASLX-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000015724710 556546094 /nfs/dbraw/zinc/54/60/94/556546094.db2.gz KMHOFZMIHSGYKC-AREMUKBSSA-N 0 0 425.532 6.055 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000015725013 556546298 /nfs/dbraw/zinc/54/62/98/556546298.db2.gz NJODKHYXDBSTOS-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000015724886 556546327 /nfs/dbraw/zinc/54/63/27/556546327.db2.gz BXAGKXRZIQEAKW-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000015724875 556546330 /nfs/dbraw/zinc/54/63/30/556546330.db2.gz HTMUEJVGAUEGJW-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC ZINC000013656551 556546439 /nfs/dbraw/zinc/54/64/39/556546439.db2.gz OTLHXAZIFRNTQE-UHFFFAOYSA-N 0 0 439.320 5.395 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000015725066 556546535 /nfs/dbraw/zinc/54/65/35/556546535.db2.gz GRACBZGLOTWMSQ-VWLOTQADSA-N 0 0 447.941 6.757 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000015725103 556546539 /nfs/dbraw/zinc/54/65/39/556546539.db2.gz XBVSKYJZTWGXBE-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000015725331 556546815 /nfs/dbraw/zinc/54/68/15/556546815.db2.gz GNWLNOIOZDCWMI-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000015725351 556546820 /nfs/dbraw/zinc/54/68/20/556546820.db2.gz KIIXMNOWOLCLRH-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)ccc1C)[C@H]3c1ccc(F)cc1 ZINC000015725386 556546822 /nfs/dbraw/zinc/54/68/22/556546822.db2.gz PWEDHWPMHRMYLU-SANMLTNESA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(Cl)cc1)[C@H]3c1ccc(F)cc1 ZINC000015725380 556546826 /nfs/dbraw/zinc/54/68/26/556546826.db2.gz NOURSWIREMMNND-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725412 556546832 /nfs/dbraw/zinc/54/68/32/556546832.db2.gz HCPDVJOXERFNKE-SANMLTNESA-N 0 0 443.522 6.058 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000015725210 556546866 /nfs/dbraw/zinc/54/68/66/556546866.db2.gz CKINLVMSZZCAFB-SANMLTNESA-N 0 0 443.978 6.926 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1C)[C@H]3c1ccc(F)cc1 ZINC000015725383 556546887 /nfs/dbraw/zinc/54/68/87/556546887.db2.gz NPDIMMCKYSBXRO-SANMLTNESA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1Cl)[C@@H]3c1ccc(C)cc1 ZINC000015725437 556547176 /nfs/dbraw/zinc/54/71/76/556547176.db2.gz ANPWQCSUCPALMR-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(OC)c(Cl)c3)cc2s1 ZINC000032959419 556547539 /nfs/dbraw/zinc/54/75/39/556547539.db2.gz AZQJNNRKMZCONT-UHFFFAOYSA-N 0 0 431.945 5.268 50 0 IKAARN CCC[C@]1(C)CCCN(C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000072303843 556547860 /nfs/dbraw/zinc/54/78/60/556547860.db2.gz WOIJTCTXPCTJSQ-VMQHTIDMSA-N 0 0 426.557 5.321 50 0 IKAARN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)[C@H](c2ccco2)C1 ZINC000072304657 556549285 /nfs/dbraw/zinc/54/92/85/556549285.db2.gz CWYLHHPSQUCTAH-CYFREDJKSA-N 0 0 430.548 5.285 50 0 IKAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000015768877 556549957 /nfs/dbraw/zinc/54/99/57/556549957.db2.gz LHEXXZICHSJEJV-KRWDZBQOSA-N 0 0 448.544 5.401 50 0 IKAARN CCOc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000032996961 556550612 /nfs/dbraw/zinc/55/06/12/556550612.db2.gz ZNSALPCKRLZVIA-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997083 556550819 /nfs/dbraw/zinc/55/08/19/556550819.db2.gz ZTCZWNFILVAASO-QFIPXVFZSA-N 0 0 438.528 5.404 50 0 IKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)N[C@@H](C)CCc4ccccc4)c3)nn2)cc1 ZINC000032997049 556550890 /nfs/dbraw/zinc/55/08/90/556550890.db2.gz OTNCEONOMNJKTH-NRFANRHFSA-N 0 0 436.559 5.947 50 0 IKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)N[C@H](C)CCc4ccccc4)c3)nn2)cc1 ZINC000032997050 556550920 /nfs/dbraw/zinc/55/09/20/556550920.db2.gz OTNCEONOMNJKTH-OAQYLSRUSA-N 0 0 436.559 5.947 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(F)c1F)N(C(C)=O)c1ccccc1-2 ZINC000032997178 556551067 /nfs/dbraw/zinc/55/10/67/556551067.db2.gz YCCNWOILCGYFIN-OAQYLSRUSA-N 0 0 442.491 5.153 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997182 556551089 /nfs/dbraw/zinc/55/10/89/556551089.db2.gz GDTGEOTZRVWTIQ-XMMPIXPASA-N 0 0 448.592 5.998 50 0 IKAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@H]1c1cccc(Cl)c1 ZINC000032997236 556551116 /nfs/dbraw/zinc/55/11/16/556551116.db2.gz LGKPDASMOMRTPE-NRFANRHFSA-N 0 0 440.956 5.528 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997484 556551450 /nfs/dbraw/zinc/55/14/50/556551450.db2.gz ULTMWDLHEMEHIA-HXUWFJFHSA-N 0 0 426.929 5.057 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cccc(C)c1 ZINC000032997752 556551972 /nfs/dbraw/zinc/55/19/72/556551972.db2.gz CUTPAVCFJFHUQE-XMMPIXPASA-N 0 0 448.592 5.656 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(C)c1)N(C(=O)CC)c1ccc(Cl)cc1-2 ZINC000032998080 556552263 /nfs/dbraw/zinc/55/22/63/556552263.db2.gz FMNVNLBSQRUWNW-NRFANRHFSA-N 0 0 440.956 5.447 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998263 556552300 /nfs/dbraw/zinc/55/23/00/556552300.db2.gz SVTXZQFITXNHNZ-HXUWFJFHSA-N 0 0 444.944 5.430 50 0 IKAARN CCN(CC)c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000032998308 556552304 /nfs/dbraw/zinc/55/23/04/556552304.db2.gz YKHXXZMCKXCEEA-UHFFFAOYSA-N 0 0 447.535 5.055 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Br)cc2)cc1NC(=O)c1cccc(C)c1 ZINC000032998396 556552506 /nfs/dbraw/zinc/55/25/06/556552506.db2.gz MSYZBEHFXJTWAV-UHFFFAOYSA-N 0 0 439.309 5.271 50 0 IKAARN CCOCCCNC(=O)c1cc(-c2cnn(-c3ccc(C)cc3)c2C)nc2ccc(C)cc21 ZINC000032998775 556552509 /nfs/dbraw/zinc/55/25/09/556552509.db2.gz OCCUACDRCPTSNN-UHFFFAOYSA-N 0 0 442.563 5.169 50 0 IKAARN Cc1c(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998560 556552526 /nfs/dbraw/zinc/55/25/26/556552526.db2.gz VAZHLLSHLYTJAM-UHFFFAOYSA-N 0 0 440.453 5.926 50 0 IKAARN Cc1c(-c2cc(C(=O)Nc3cccc(C)c3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998785 556552535 /nfs/dbraw/zinc/55/25/35/556552535.db2.gz JFFUABMRCOVUNK-UHFFFAOYSA-N 0 0 446.554 6.573 50 0 IKAARN Cc1c(-c2cc(C(=O)NCc3ccccc3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998731 556552539 /nfs/dbraw/zinc/55/25/39/556552539.db2.gz MZWWONOUEHJKDZ-UHFFFAOYSA-N 0 0 446.554 5.943 50 0 IKAARN CCc1ccc(-n2ncc(-c3cc(C(=O)Nc4ccc(C)cc4)c4ccccc4n3)c2C)cc1 ZINC000032998528 556552573 /nfs/dbraw/zinc/55/25/73/556552573.db2.gz NWPYAKVCZAFIFB-UHFFFAOYSA-N 0 0 446.554 6.519 50 0 IKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000015799830 556552681 /nfs/dbraw/zinc/55/26/81/556552681.db2.gz NRSMCUJVEFYLCO-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CCCCOc1ccc(-c2cc3c(N4CCN(c5ccc(F)cc5)CC4)nccn3n2)cc1 ZINC000033048705 556553522 /nfs/dbraw/zinc/55/35/22/556553522.db2.gz PYHCZCFGINRLLD-UHFFFAOYSA-N 0 0 445.542 5.041 50 0 IKAARN CCOc1ccc(S(=O)(=O)N[C@H](CC)C23CC4CC(CC(C4)C2)C3)c2ccccc12 ZINC000004578107 556553570 /nfs/dbraw/zinc/55/35/70/556553570.db2.gz LFZCMAXZQHFDRZ-PSEWHUDHSA-N 0 0 427.610 5.512 50 0 IKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000033048663 556553580 /nfs/dbraw/zinc/55/35/80/556553580.db2.gz FZKKLECRIJHIGG-IBGZPJMESA-N 0 0 441.384 5.414 50 0 IKAARN COC(=O)[C@H](NC(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccccc1 ZINC000033114967 556554188 /nfs/dbraw/zinc/55/41/88/556554188.db2.gz OFGWFKISTODQMT-JOCHJYFZSA-N 0 0 427.460 5.044 50 0 IKAARN O=C(Nc1cccnc1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 ZINC000015835352 556555269 /nfs/dbraw/zinc/55/52/69/556555269.db2.gz YUYQHZUKFHVDKM-UHFFFAOYSA-N 0 0 430.558 5.567 50 0 IKAARN Cc1ccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3ccncc3)n2)cc1 ZINC000015835369 556555281 /nfs/dbraw/zinc/55/52/81/556555281.db2.gz CTMCIJPKZPYGBQ-UHFFFAOYSA-N 0 0 444.585 5.876 50 0 IKAARN COc1cc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc(OC)c1OC ZINC000015835566 556555320 /nfs/dbraw/zinc/55/53/20/556555320.db2.gz NXOJMVJWZGEDQJ-JOCHJYFZSA-N 0 0 436.533 5.117 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000033115658 556555755 /nfs/dbraw/zinc/55/57/55/556555755.db2.gz CEPJUQWHYPFBJI-AREMUKBSSA-N 0 0 446.547 5.527 50 0 IKAARN O=C1C[C@H](c2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)no2)CN1c1ccccc1 ZINC000033115885 556555773 /nfs/dbraw/zinc/55/57/73/556555773.db2.gz MELIHTNYIVJOKB-KRWDZBQOSA-N 0 0 431.879 5.703 50 0 IKAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C(=O)O2)cc1 ZINC000015838259 556555986 /nfs/dbraw/zinc/55/59/86/556555986.db2.gz RNJVWGRROGDZIJ-NRFANRHFSA-N 0 0 425.406 5.720 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000015840003 556556667 /nfs/dbraw/zinc/55/66/67/556556667.db2.gz ZDMGNLKHEXTWCF-UHFFFAOYSA-N 0 0 443.570 5.468 50 0 IKAARN CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)cc1 ZINC000015840028 556556711 /nfs/dbraw/zinc/55/67/11/556556711.db2.gz SXVOFRSPQFYRKQ-UHFFFAOYSA-N 0 0 426.442 6.174 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000015842213 556556933 /nfs/dbraw/zinc/55/69/33/556556933.db2.gz DYUMBHKQFMSUHA-UHFFFAOYSA-N 0 0 442.573 5.587 50 0 IKAARN Clc1ccc(-c2nnc(SC[C@H]3CSc4nnc(-c5ccccc5)n43)o2)cc1 ZINC000032906001 556557337 /nfs/dbraw/zinc/55/73/37/556557337.db2.gz SFRNUGKCCHACSJ-OAHLLOKOSA-N 0 0 427.942 5.088 50 0 IKAARN Cc1ccc(-c2nc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)no2)cc1 ZINC000032906016 556557343 /nfs/dbraw/zinc/55/73/43/556557343.db2.gz ZJMUCPICLWQWSX-UHFFFAOYSA-N 0 0 428.517 5.149 50 0 IKAARN CC(C)c1ccc(OCC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033266268 556557603 /nfs/dbraw/zinc/55/76/03/556557603.db2.gz KXECVGSEHTZPPX-DEOSSOPVSA-N 0 0 445.494 5.284 50 0 IKAARN CCCCOc1ccc(-c2cc3c(N4CCN(c5ccc(C)cc5)CC4)nccn3n2)cc1 ZINC000033266332 556557658 /nfs/dbraw/zinc/55/76/58/556557658.db2.gz PTDGJSJUJUJNMB-UHFFFAOYSA-N 0 0 441.579 5.210 50 0 IKAARN O=c1oc2ccc(Br)cc2cc1-c1cn2c(n1)sc1cc(Cl)ccc12 ZINC000015856852 556557638 /nfs/dbraw/zinc/55/76/38/556557638.db2.gz CCCDPDDJMSBQMI-UHFFFAOYSA-N 0 0 431.698 5.738 50 0 IKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)c3ccccc3)o2)cc1 ZINC000015856971 556557965 /nfs/dbraw/zinc/55/79/65/556557965.db2.gz DNTYMNXYHGVWPP-UHFFFAOYSA-N 0 0 449.553 5.458 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1CCc1ccccc1)c1ccccc1 ZINC000015869020 556559663 /nfs/dbraw/zinc/55/96/63/556559663.db2.gz KKRYQYUBSOBYMS-UHFFFAOYSA-N 0 0 434.952 5.578 50 0 IKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000015869143 556559710 /nfs/dbraw/zinc/55/97/10/556559710.db2.gz XNLPBXAGALYZRL-UHFFFAOYSA-N 0 0 425.897 5.166 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc(SCc3nc4cc(C)c(C)cc4[nH]c3=O)cc2)cc1 ZINC000015869341 556559958 /nfs/dbraw/zinc/55/99/58/556559958.db2.gz GFMNHJIUQVORQR-UHFFFAOYSA-N 0 0 443.572 5.647 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 ZINC000072306818 556560544 /nfs/dbraw/zinc/56/05/44/556560544.db2.gz FSPQDJKXDZYJDA-UHFFFAOYSA-N 0 0 441.331 5.365 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC000072306815 556560617 /nfs/dbraw/zinc/56/06/17/556560617.db2.gz FGENXZJHVUVMMW-UHFFFAOYSA-N 0 0 447.766 6.124 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 ZINC000015881940 556560610 /nfs/dbraw/zinc/56/06/10/556560610.db2.gz LKLHOQNDISTEEN-UHFFFAOYSA-N 0 0 429.977 5.131 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 ZINC000015906021 556562578 /nfs/dbraw/zinc/56/25/78/556562578.db2.gz JFKHTAOEQKQUED-FHFXGYIMSA-N 0 0 439.005 6.900 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000015906022 556562585 /nfs/dbraw/zinc/56/25/85/556562585.db2.gz JFKHTAOEQKQUED-YYRZZOBCSA-N 0 0 439.005 6.900 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000015905961 556562611 /nfs/dbraw/zinc/56/26/11/556562611.db2.gz CJQKVTCNZNGYMR-UKCLGBFISA-N 0 0 432.907 6.362 50 0 IKAARN Cc1sc(-c2ccco2)nc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000072308008 556563623 /nfs/dbraw/zinc/56/36/23/556563623.db2.gz CPQMPDFDNNXMMQ-UHFFFAOYSA-N 0 0 449.513 5.034 50 0 IKAARN FC(F)(F)c1cccc(-c2c[nH]c([C@H]3CCCN3Cc3nnc(-c4ccccc4)o3)n2)c1 ZINC000072308657 556565590 /nfs/dbraw/zinc/56/55/90/556565590.db2.gz MOYWHGCJXNCYBS-LJQANCHMSA-N 0 0 439.441 5.483 50 0 IKAARN O=C(c1cc(Cl)nc2ccccc21)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000015934905 556565647 /nfs/dbraw/zinc/56/56/47/556565647.db2.gz VQZLKPOYTPWWDY-UHFFFAOYSA-N 0 0 439.302 5.396 50 0 IKAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccccc1C ZINC000033586816 556566533 /nfs/dbraw/zinc/56/65/33/556566533.db2.gz UJORYOJUGIJHDO-UHFFFAOYSA-N 0 0 446.591 5.410 50 0 IKAARN COc1ccc(/C=C(\NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)OCc2ccco2)cc1 ZINC000015944879 556566603 /nfs/dbraw/zinc/56/66/03/556566603.db2.gz JBWCMVSLZZABOZ-KQWNVCNZSA-N 0 0 433.504 5.100 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(F)cc3)cc1)=NCC2 ZINC000033669828 556566746 /nfs/dbraw/zinc/56/67/46/556566746.db2.gz XCTPSFOBIGOGGG-UHFFFAOYSA-N 0 0 433.483 5.075 50 0 IKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)C=Cc4ccco4)cc2)N3)C1 ZINC000015945389 556566849 /nfs/dbraw/zinc/56/68/49/556566849.db2.gz LTXUMWFDKFJDBZ-RBQRZEKPSA-N 0 0 448.544 5.904 50 0 IKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)C=Cc4ccco4)cc2)N3)C1 ZINC000015945385 556566877 /nfs/dbraw/zinc/56/68/77/556566877.db2.gz LTXUMWFDKFJDBZ-IADSFHDUSA-N 0 0 448.544 5.904 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc(Cl)c1O ZINC000015946254 556567308 /nfs/dbraw/zinc/56/73/08/556567308.db2.gz PGDJIJHLTGKWCX-XCLFUZPHSA-N 0 0 449.016 6.476 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C)cc2)c1 ZINC000033735205 556567481 /nfs/dbraw/zinc/56/74/81/556567481.db2.gz GHKXUFSXILJKKG-UPVQGACJSA-N 0 0 449.348 6.008 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000015946893 556567761 /nfs/dbraw/zinc/56/77/61/556567761.db2.gz WHUDWKMLMXDFHW-HOTGVXAUSA-N 0 0 443.588 5.077 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000015946891 556567787 /nfs/dbraw/zinc/56/77/87/556567787.db2.gz WHUDWKMLMXDFHW-CVEARBPZSA-N 0 0 443.588 5.077 50 0 IKAARN O=C1N[C@@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000015947386 556567950 /nfs/dbraw/zinc/56/79/50/556567950.db2.gz BEMVIGTVOXRBLJ-HXUWFJFHSA-N 0 0 444.387 6.042 50 0 IKAARN CC(C)OCCCN(Cc1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cl)c1 ZINC000015947188 556567979 /nfs/dbraw/zinc/56/79/79/556567979.db2.gz WLVREWCNARCNOU-UHFFFAOYSA-N 0 0 429.775 6.496 50 0 IKAARN Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000015947176 556568159 /nfs/dbraw/zinc/56/81/59/556568159.db2.gz SZHWMXLEHAVRNO-HHHXNRCGSA-N 0 0 431.507 5.265 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Br)c1O ZINC000015947465 556568330 /nfs/dbraw/zinc/56/83/30/556568330.db2.gz GIFWDTAGWMIFMU-XLFHBGCDSA-N 0 0 437.359 5.169 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000015947579 556568367 /nfs/dbraw/zinc/56/83/67/556568367.db2.gz HKTNYGMIOSCSDY-UDWXCEDRSA-N 0 0 434.517 5.514 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1OCc1ccccc1 ZINC000015947769 556568666 /nfs/dbraw/zinc/56/86/66/556568666.db2.gz CAMGTXMMPQJEJN-VOIUYBSRSA-N 0 0 448.588 6.280 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000015974818 556570285 /nfs/dbraw/zinc/57/02/85/556570285.db2.gz SDEAXBDLFYOJET-SCLBCKFNSA-N 0 0 448.589 5.029 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000015974817 556570303 /nfs/dbraw/zinc/57/03/03/556570303.db2.gz SDEAXBDLFYOJET-FZKQIMNGSA-N 0 0 448.589 5.029 50 0 IKAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000015974913 556570385 /nfs/dbraw/zinc/57/03/85/556570385.db2.gz ZKAMMAMRFDENDU-GOSISDBHSA-N 0 0 445.972 5.824 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1F ZINC000032960599 556570474 /nfs/dbraw/zinc/57/04/74/556570474.db2.gz QFDODMMPDTXSRD-UHFFFAOYSA-N 0 0 449.529 6.511 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000015975130 556570547 /nfs/dbraw/zinc/57/05/47/556570547.db2.gz JGSRVEJWRTVZMR-XHDPSFHLSA-N 0 0 429.945 5.766 50 0 IKAARN O=C(Nc1ccccc1)C1(N(CCc2ccc(Cl)cc2)C(=O)c2ccccc2)CCCC1 ZINC000015980663 556570905 /nfs/dbraw/zinc/57/09/05/556570905.db2.gz LDJHNKAMXJRZAH-UHFFFAOYSA-N 0 0 446.978 5.976 50 0 IKAARN Cc1c(C(=O)NCC2CCCCC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000015982186 556570911 /nfs/dbraw/zinc/57/09/11/556570911.db2.gz BNSWPGCVIUFEFH-UHFFFAOYSA-N 0 0 438.540 6.662 50 0 IKAARN Cn1c(CCc2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc2ccccc21 ZINC000032960846 556571013 /nfs/dbraw/zinc/57/10/13/556571013.db2.gz UTYIGAYPLSOVHX-UHFFFAOYSA-N 0 0 434.337 5.373 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000034138829 556571052 /nfs/dbraw/zinc/57/10/52/556571052.db2.gz LLKDIIOWFJDXJK-BVAGGSTKSA-N 0 0 430.504 5.345 50 0 IKAARN CCCn1c(CCc2ccc(NC(=O)c3ccc(OCC)cc3)cc2)nc2ccccc21 ZINC000032961015 556571844 /nfs/dbraw/zinc/57/18/44/556571844.db2.gz NPAGMMMPWWAIHO-UHFFFAOYSA-N 0 0 427.548 5.883 50 0 IKAARN COc1cc(NC(=O)c2ccc(Cl)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000032961308 556572098 /nfs/dbraw/zinc/57/20/98/556572098.db2.gz ZPFKXCZVBFVLSN-UHFFFAOYSA-N 0 0 437.908 5.463 50 0 IKAARN O=C(c1c(Br)sc(-c2ccccc2)c1-c1ccccc1)N1CCOCC1 ZINC000000711698 556573155 /nfs/dbraw/zinc/57/31/55/556573155.db2.gz IKUHUVJAKRMOLO-UHFFFAOYSA-N 0 0 428.351 5.317 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000993543 556573819 /nfs/dbraw/zinc/57/38/19/556573819.db2.gz FWJMTUHORWZHNY-UHFFFAOYSA-N 0 0 449.721 6.160 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1I ZINC000001152575 556574215 /nfs/dbraw/zinc/57/42/15/556574215.db2.gz QOSZUDSCCFHZEQ-UHFFFAOYSA-N 0 0 439.256 5.087 50 0 IKAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001233721 556574759 /nfs/dbraw/zinc/57/47/59/556574759.db2.gz SNUNBNUHYOFGIT-HZPDHXFCSA-N 0 0 438.738 5.789 50 0 IKAARN O=P(Oc1ccc(Cl)cc1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000002809974 556575173 /nfs/dbraw/zinc/57/51/73/556575173.db2.gz DFQHFXCKNSCDFW-UHFFFAOYSA-N 0 0 429.623 7.292 50 0 IKAARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3Cl)N2C1=O ZINC000002496387 556575179 /nfs/dbraw/zinc/57/51/79/556575179.db2.gz WLAARRZSMUKBKP-NQIIRXRSSA-N 0 0 442.346 5.553 50 0 IKAARN CCC(=O)Oc1oc2cc(OC(C)=O)c(CC)cc2c(=O)c1Oc1ccc(Cl)cc1 ZINC000016184042 556575479 /nfs/dbraw/zinc/57/54/79/556575479.db2.gz ATLNKTZHINAMOG-UHFFFAOYSA-N 0 0 430.840 5.042 50 0 IKAARN Cc1ccccc1CSc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000016033365 556576765 /nfs/dbraw/zinc/57/67/65/556576765.db2.gz HQTDFBUWKOUYSX-LJQANCHMSA-N 0 0 425.554 5.479 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000016033444 556577075 /nfs/dbraw/zinc/57/70/75/556577075.db2.gz CTUMMESNLVRHKF-XHDPSFHLSA-N 0 0 446.400 6.281 50 0 IKAARN Cc1cccc(CSc2nnc([C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 ZINC000016033439 556577082 /nfs/dbraw/zinc/57/70/82/556577082.db2.gz ICZXFVRJGVNCIX-LJQANCHMSA-N 0 0 425.554 5.479 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3cc(C)ccc3C)n(-c3ccccc3)c(=O)c2c1C ZINC000016035304 556577337 /nfs/dbraw/zinc/57/73/37/556577337.db2.gz ONGBVFRZOSFGJL-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CN(/N=C/c1cccnc1)c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 ZINC000022591026 556578204 /nfs/dbraw/zinc/57/82/04/556578204.db2.gz IDDFFAOGSPUOLE-WGOQTCKBSA-N 0 0 444.336 5.438 50 0 IKAARN CCOc1ccc(NC(=O)CSc2ccc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000016044861 556578894 /nfs/dbraw/zinc/57/88/94/556578894.db2.gz FLOXIESNSDYMMG-UHFFFAOYSA-N 0 0 439.536 6.181 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3cc(Cl)ccc32)c(C)c1 ZINC000034509295 556579398 /nfs/dbraw/zinc/57/93/98/556579398.db2.gz VENGMROMZOKURN-UHFFFAOYSA-N 0 0 446.934 5.832 50 0 IKAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000034703844 556581257 /nfs/dbraw/zinc/58/12/57/556581257.db2.gz XBARKHWCGDFURB-UHFFFAOYSA-N 0 0 437.977 5.672 50 0 IKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NCc4cccnc4)cs3)c(F)c2)c1 ZINC000034713278 556581462 /nfs/dbraw/zinc/58/14/62/556581462.db2.gz OQMGDDGGWZLNNV-UHFFFAOYSA-N 0 0 433.508 5.162 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000034717238 556581496 /nfs/dbraw/zinc/58/14/96/556581496.db2.gz QWVHMEPGOSVCQW-UHFFFAOYSA-N 0 0 435.376 6.176 50 0 IKAARN O=C(c1csc(-c2ccc(OCc3ccccc3F)cc2Cl)n1)N1CCSCC1 ZINC000034717474 556581536 /nfs/dbraw/zinc/58/15/36/556581536.db2.gz WQWJDROFZNWIBU-UHFFFAOYSA-N 0 0 448.972 5.371 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000032910853 556581717 /nfs/dbraw/zinc/58/17/17/556581717.db2.gz RWZDDGDOQRETLT-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2cc(F)cc(F)c2)C1=O)c1cccs1 ZINC000034735151 556581755 /nfs/dbraw/zinc/58/17/55/556581755.db2.gz LTGBEGZNRBGWRJ-UHFFFAOYSA-N 0 0 427.476 5.111 50 0 IKAARN COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000032911161 556582205 /nfs/dbraw/zinc/58/22/05/556582205.db2.gz GCELBSNIJDNRNJ-HNNXBMFYSA-N 0 0 433.508 5.564 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3cc(F)cc(F)c3)[C@@H](C)C1)=N2 ZINC000034812789 556582896 /nfs/dbraw/zinc/58/28/96/556582896.db2.gz GMEWTAPXABHMQX-KRWDZBQOSA-N 0 0 447.485 5.304 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3cc(F)cc(F)c3)[C@H](C)C1)=N2 ZINC000034812788 556582957 /nfs/dbraw/zinc/58/29/57/556582957.db2.gz GMEWTAPXABHMQX-QGZVFWFLSA-N 0 0 447.485 5.304 50 0 IKAARN CC[C@@]1(C)C[C@](CCNC(=O)c2ccc(OCC(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000016115929 556584089 /nfs/dbraw/zinc/58/40/89/556584089.db2.gz UXYBJIUSAKZAAD-RRPNLBNLSA-N 0 0 441.587 5.898 50 0 IKAARN COc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1Cl ZINC000016138861 556585264 /nfs/dbraw/zinc/58/52/64/556585264.db2.gz DBRYZUVTVAFYLT-HSZRJFAPSA-N 0 0 440.330 5.930 50 0 IKAARN CCOc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)cc1 ZINC000016141544 556585335 /nfs/dbraw/zinc/58/53/35/556585335.db2.gz SPJKJFUROXNAOZ-HXUWFJFHSA-N 0 0 430.342 5.174 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000016162127 556586563 /nfs/dbraw/zinc/58/65/63/556586563.db2.gz DUCPKVCCXBQCLS-UHFFFAOYSA-N 0 0 425.319 5.850 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc32)cc1OC ZINC000016176576 556587254 /nfs/dbraw/zinc/58/72/54/556587254.db2.gz BSCFRGUVRBSBDS-FQEVSTJZSA-N 0 0 432.495 5.276 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000016192950 556588988 /nfs/dbraw/zinc/58/89/88/556588988.db2.gz WAAAETNXNVUEOZ-ACJLOTCBSA-N 0 0 433.415 6.481 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 ZINC000016192968 556589002 /nfs/dbraw/zinc/58/90/02/556589002.db2.gz PZRBVADPKFNFKU-FZKQIMNGSA-N 0 0 433.415 6.481 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000016192958 556589027 /nfs/dbraw/zinc/58/90/27/556589027.db2.gz WAAAETNXNVUEOZ-SCLBCKFNSA-N 0 0 433.415 6.481 50 0 IKAARN CN(C)C(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 ZINC000032971881 556590327 /nfs/dbraw/zinc/59/03/27/556590327.db2.gz JGZUJGOMTIBODL-UHFFFAOYSA-N 0 0 431.517 5.074 50 0 IKAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)CSCc3ccccc3)nc2c1 ZINC000010611376 556590637 /nfs/dbraw/zinc/59/06/37/556590637.db2.gz ULIIHLKUELHKRS-UHFFFAOYSA-N 0 0 435.574 5.167 50 0 IKAARN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1c(F)cccc1Cl ZINC000016196291 556590684 /nfs/dbraw/zinc/59/06/84/556590684.db2.gz BETNLEIQOWGRNE-UHFFFAOYSA-N 0 0 429.875 5.055 50 0 IKAARN O=C1c2ccccc2-c2c1cccc2NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000016213184 556591065 /nfs/dbraw/zinc/59/10/65/556591065.db2.gz LDTKQKRZDALXFN-UHFFFAOYSA-N 0 0 425.465 5.598 50 0 IKAARN CC(=O)N[C@@H](C)c1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000016221994 556592110 /nfs/dbraw/zinc/59/21/10/556592110.db2.gz YOAPPQRDYMDGBY-ZDUSSCGKSA-N 0 0 431.319 5.309 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CCSCCC(=O)Nc1c(CC)cccc1CC ZINC000016226058 556592700 /nfs/dbraw/zinc/59/27/00/556592700.db2.gz ZLYNSFDXINEUBI-UHFFFAOYSA-N 0 0 440.653 6.027 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036114175 556593094 /nfs/dbraw/zinc/59/30/94/556593094.db2.gz SYUBJQVPKJEXSI-SFHVURJKSA-N 0 0 438.593 5.788 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105312 556593196 /nfs/dbraw/zinc/59/31/96/556593196.db2.gz AMJONRJJZVEHBI-GOSISDBHSA-N 0 0 443.012 6.433 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000016248448 556594243 /nfs/dbraw/zinc/59/42/43/556594243.db2.gz UIZJVPMWKBJRRV-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN Cc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cccc1-c1nc2ccccc2s1 ZINC000016250075 556594667 /nfs/dbraw/zinc/59/46/67/556594667.db2.gz SGCUVJSKMBGAIX-UHFFFAOYSA-N 0 0 436.964 6.721 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Cl)cc1 ZINC000016262750 556595110 /nfs/dbraw/zinc/59/51/10/556595110.db2.gz VKPLTQFOOHUVPY-IBGZPJMESA-N 0 0 444.025 5.462 50 0 IKAARN Cc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CSCc3ccccc3)nc21 ZINC000010611753 556595140 /nfs/dbraw/zinc/59/51/40/556595140.db2.gz VTGIJWIRSJWQMY-UHFFFAOYSA-N 0 0 433.602 5.775 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1OC ZINC000016262420 556595156 /nfs/dbraw/zinc/59/51/56/556595156.db2.gz BELHGBQGHXYRDD-IBGZPJMESA-N 0 0 448.350 5.044 50 0 IKAARN COc1cc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc(OC)c1 ZINC000036248337 556595251 /nfs/dbraw/zinc/59/52/51/556595251.db2.gz ZEWQTYQWVPDGPG-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN Cc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000036248285 556595320 /nfs/dbraw/zinc/59/53/20/556595320.db2.gz HHWIQGAFQHFPHR-UHFFFAOYSA-N 0 0 425.859 5.461 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)c1C ZINC000032974503 556595766 /nfs/dbraw/zinc/59/57/66/556595766.db2.gz ZSRBOOJWTMMDSH-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)Nc2cccc(C)c2C)C2CCCCC2)c1C ZINC000032974518 556595773 /nfs/dbraw/zinc/59/57/73/556595773.db2.gz UFOOIIVXAFIJIA-UHFFFAOYSA-N 0 0 425.573 5.792 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000032974887 556595781 /nfs/dbraw/zinc/59/57/81/556595781.db2.gz KJHSEXWUWAKCTN-UHFFFAOYSA-N 0 0 429.951 5.750 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccccc2OC)c1C ZINC000032974498 556595786 /nfs/dbraw/zinc/59/57/86/556595786.db2.gz LMGPAORNBMCMMO-UHFFFAOYSA-N 0 0 435.524 5.051 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccccc2OC)c1C ZINC000032974489 556595795 /nfs/dbraw/zinc/59/57/95/556595795.db2.gz GJGFBXFLTAUCPX-UHFFFAOYSA-N 0 0 449.551 5.360 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c(C)c1 ZINC000016268796 556596024 /nfs/dbraw/zinc/59/60/24/556596024.db2.gz IGXPLUUMLVUREQ-UHFFFAOYSA-N 0 0 426.903 7.171 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)n3c4ccccc4nc3N[C@H]2c2cccc(F)c2)c(C)c1 ZINC000016284923 556597461 /nfs/dbraw/zinc/59/74/61/556597461.db2.gz XFJKJXUDJIDMTJ-DEOSSOPVSA-N 0 0 426.495 5.829 50 0 IKAARN Clc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000036372819 556597514 /nfs/dbraw/zinc/59/75/14/556597514.db2.gz MHFZLGDXRSGUDL-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000036372813 556597521 /nfs/dbraw/zinc/59/75/21/556597521.db2.gz JTIQCFQQNRVMPY-PXNSSMCTSA-N 0 0 429.314 5.892 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc(Br)cc3)=NN1[C@@H](c1ccccc1)O2 ZINC000036372520 556597578 /nfs/dbraw/zinc/59/75/78/556597578.db2.gz IMALJVZAXDXOPP-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)s1 ZINC000016288226 556597651 /nfs/dbraw/zinc/59/76/51/556597651.db2.gz PRVMZKUXUSIEDO-UHFFFAOYSA-N 0 0 432.501 5.376 50 0 IKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1Cl ZINC000016312763 556600112 /nfs/dbraw/zinc/60/01/12/556600112.db2.gz MWGSKVTXFKZWMD-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(F)cc2F)CC1 ZINC000016315398 556600155 /nfs/dbraw/zinc/60/01/55/556600155.db2.gz KERKWBOXXBIGHJ-UHFFFAOYSA-N 0 0 438.543 5.310 50 0 IKAARN Cc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000032975878 556600374 /nfs/dbraw/zinc/60/03/74/556600374.db2.gz DRHSABHFBZSSAY-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN CCc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)s1 ZINC000016328695 556600796 /nfs/dbraw/zinc/60/07/96/556600796.db2.gz NZWURHFDRNXGFG-CQSZACIVSA-N 0 0 426.567 5.166 50 0 IKAARN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)o2)cc1Cl ZINC000016346696 556601579 /nfs/dbraw/zinc/60/15/79/556601579.db2.gz FJHHAAUSXJISCK-JLHYYAGUSA-N 0 0 425.915 7.132 50 0 IKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccccc1Cl ZINC000016347447 556601848 /nfs/dbraw/zinc/60/18/48/556601848.db2.gz HOLATCRQVXHWKG-UHFFFAOYSA-N 0 0 434.923 6.598 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2c1 ZINC000016348525 556601872 /nfs/dbraw/zinc/60/18/72/556601872.db2.gz LIBBKHYIELZQNR-NTCAYCPXSA-N 0 0 434.495 7.024 50 0 IKAARN Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000016348789 556601976 /nfs/dbraw/zinc/60/19/76/556601976.db2.gz OEWQNUDFMDYLDR-WEVVVXLNSA-N 0 0 430.316 6.218 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)c(Cl)c2)c1 ZINC000016349122 556602046 /nfs/dbraw/zinc/60/20/46/556602046.db2.gz MYGDZMIPEUVFAK-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN CCCCOc1ccc(-c2nc(SCc3ccc(OC)c(Br)c3)n[nH]2)cc1 ZINC000016361400 556602677 /nfs/dbraw/zinc/60/26/77/556602677.db2.gz LGIXYWAJGBKLDJ-UHFFFAOYSA-N 0 0 448.386 5.714 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cn1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037397399 556602900 /nfs/dbraw/zinc/60/29/00/556602900.db2.gz XMRQDILEUYBGMW-UHFFFAOYSA-N 0 0 438.358 5.593 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CCCC3)cc2)cc1 ZINC000016361769 556602908 /nfs/dbraw/zinc/60/29/08/556602908.db2.gz CRLNSAHWGLRNNS-UHFFFAOYSA-N 0 0 428.532 5.189 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)O3)cc1 ZINC000032984020 556603224 /nfs/dbraw/zinc/60/32/24/556603224.db2.gz NQDZUVDIWDFEIN-YDZHTSKRSA-N 0 0 448.906 5.041 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983618 556603621 /nfs/dbraw/zinc/60/36/21/556603621.db2.gz YOALRXSVUARMHF-QRVIBDJDSA-N 0 0 448.906 5.041 50 0 IKAARN COc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2CCC(C)C)c(C)o1 ZINC000032984675 556603851 /nfs/dbraw/zinc/60/38/51/556603851.db2.gz VRDMBCGINNCRGU-UHFFFAOYSA-N 0 0 449.576 5.707 50 0 IKAARN CCOC(=O)COc1cc(Br)c(-c2nc3ccccc3s2)cc1OCC ZINC000016382466 556603906 /nfs/dbraw/zinc/60/39/06/556603906.db2.gz NNYUONJFDPFGIX-UHFFFAOYSA-N 0 0 436.327 5.066 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000032984683 556604033 /nfs/dbraw/zinc/60/40/33/556604033.db2.gz OGTXUTHGRCKIBB-UHFFFAOYSA-N 0 0 439.540 5.950 50 0 IKAARN COc1cccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(Cl)c3)n2)c1 ZINC000037509686 556604533 /nfs/dbraw/zinc/60/45/33/556604533.db2.gz FKKCXOYCMIJVOR-UHFFFAOYSA-N 0 0 426.847 6.242 50 0 IKAARN CCc1ccc(NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2N2CCCCC2)cc1 ZINC000032985120 556604568 /nfs/dbraw/zinc/60/45/68/556604568.db2.gz OIRYJBQEGSYCMH-UHFFFAOYSA-N 0 0 443.469 6.165 50 0 IKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccc(C)cc21 ZINC000016392699 556604782 /nfs/dbraw/zinc/60/47/82/556604782.db2.gz GYHMJYAEMVFJON-UHFFFAOYSA-N 0 0 446.484 5.039 50 0 IKAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000016392572 556604817 /nfs/dbraw/zinc/60/48/17/556604817.db2.gz SPHBGTXLSWIZBY-UHFFFAOYSA-N 0 0 449.967 6.102 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2Cc2ccccc2)s1 ZINC000037541336 556604845 /nfs/dbraw/zinc/60/48/45/556604845.db2.gz UPZCJIOFVBVCHV-UHFFFAOYSA-N 0 0 428.479 6.008 50 0 IKAARN CC(C)CNC(=O)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1 ZINC000037614028 556605077 /nfs/dbraw/zinc/60/50/77/556605077.db2.gz CENUIQNZXYVXNQ-UHFFFAOYSA-N 0 0 434.483 5.794 50 0 IKAARN COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)c(OC)c1 ZINC000032985814 556605292 /nfs/dbraw/zinc/60/52/92/556605292.db2.gz FIUXUWFWTAAYFR-UHFFFAOYSA-N 0 0 432.451 5.076 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COc1cc(-c2ccccc2)nc2c(OC)cccc12 ZINC000032985835 556605463 /nfs/dbraw/zinc/60/54/63/556605463.db2.gz GIZUEUSOYJDGMF-UHFFFAOYSA-N 0 0 448.906 5.590 50 0 IKAARN COc1ccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)c(OC)c1 ZINC000032985926 556605499 /nfs/dbraw/zinc/60/54/99/556605499.db2.gz GTUDQCBSYGUMFL-UHFFFAOYSA-N 0 0 428.488 5.245 50 0 IKAARN COc1ccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)cc1OC ZINC000032985912 556605571 /nfs/dbraw/zinc/60/55/71/556605571.db2.gz KTTPRPBDSLHQQU-UHFFFAOYSA-N 0 0 428.488 5.245 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cc(Cl)ccc3OC)cc21 ZINC000032986383 556605840 /nfs/dbraw/zinc/60/58/40/556605840.db2.gz ZFSUMPYGGZSAKN-UHFFFAOYSA-N 0 0 432.907 6.215 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cccc(SC)c3)cc21 ZINC000032986525 556606011 /nfs/dbraw/zinc/60/60/11/556606011.db2.gz OATNPZUFXXNJQH-UHFFFAOYSA-N 0 0 444.556 6.283 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCCc3ccccc3)cc21 ZINC000032986447 556606058 /nfs/dbraw/zinc/60/60/58/556606058.db2.gz LIBTUUYUKYMNHU-UHFFFAOYSA-N 0 0 426.516 5.282 50 0 biogenic IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cc(C)ccc3C)cc21 ZINC000032986596 556606217 /nfs/dbraw/zinc/60/62/17/556606217.db2.gz SVQSNENXEVDQPZ-UHFFFAOYSA-N 0 0 430.935 6.823 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccccc3CC)cc21 ZINC000032986610 556606226 /nfs/dbraw/zinc/60/62/26/556606226.db2.gz LQZOPJLAODJYQY-UHFFFAOYSA-N 0 0 430.935 6.769 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccc(OC)cc3)cc21 ZINC000032986557 556606290 /nfs/dbraw/zinc/60/62/90/556606290.db2.gz GLQWRNLOSCYEEO-UHFFFAOYSA-N 0 0 442.515 5.248 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccccc3Cl)cc21 ZINC000032986548 556606317 /nfs/dbraw/zinc/60/63/17/556606317.db2.gz HZRZMMRNAFRPGR-UHFFFAOYSA-N 0 0 446.934 5.893 50 0 IKAARN Cc1ccc(CN2[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986850 556606462 /nfs/dbraw/zinc/60/64/62/556606462.db2.gz IERNKFYKCMLKFP-OAQYLSRUSA-N 0 0 432.467 5.329 50 0 IKAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1ccc(F)cc1Cl ZINC000032986819 556606480 /nfs/dbraw/zinc/60/64/80/556606480.db2.gz YEBZTDOQYDEXAT-FQEVSTJZSA-N 0 0 437.323 5.448 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3ccc(OC)cc3)cc21 ZINC000032986624 556606497 /nfs/dbraw/zinc/60/64/97/556606497.db2.gz GADBPDLOEHEPOV-UHFFFAOYSA-N 0 0 446.934 5.893 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1NC(=O)C1CCCCC1 ZINC000016426479 556606538 /nfs/dbraw/zinc/60/65/38/556606538.db2.gz GINKFCYFOKUMAN-UHFFFAOYSA-N 0 0 444.553 5.013 50 0 IKAARN FC(F)(F)c1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000016429338 556607276 /nfs/dbraw/zinc/60/72/76/556607276.db2.gz MSENMALMFVPJBE-UHFFFAOYSA-N 0 0 442.832 5.336 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000016430569 556607514 /nfs/dbraw/zinc/60/75/14/556607514.db2.gz HGODAYJFNAONTB-UHFFFAOYSA-N 0 0 434.561 6.066 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000016444796 556607702 /nfs/dbraw/zinc/60/77/02/556607702.db2.gz AOQRJMSQGSNYJV-INIZCTEOSA-N 0 0 443.931 5.094 50 0 IKAARN CCOc1cc(Cl)c(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3C)cc1Cl ZINC000016448050 556608248 /nfs/dbraw/zinc/60/82/48/556608248.db2.gz LNJBIZKCAUNIHB-UHFFFAOYSA-N 0 0 441.380 5.011 50 0 IKAARN I/C(=C(/I)c1ccccc1)c1ccccc1 ZINC000071787255 556609265 /nfs/dbraw/zinc/60/92/65/556609265.db2.gz PJELGXYUPVLGPV-BUHFOSPRSA-N 0 0 432.042 5.382 50 0 IKAARN Cc1cccc2c(=O)n(CCC(=O)Nc3ccccc3Oc3ccccc3Cl)cnc12 ZINC000016471046 556609686 /nfs/dbraw/zinc/60/96/86/556609686.db2.gz SMVASAXDNQHTKL-UHFFFAOYSA-N 0 0 433.895 5.179 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000016474420 556609939 /nfs/dbraw/zinc/60/99/39/556609939.db2.gz YXUXTGVWZCXDOV-SRDOPONQSA-N 0 0 444.501 5.242 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000032995695 556610957 /nfs/dbraw/zinc/61/09/57/556610957.db2.gz XUGYWOYOSODZAF-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccccc1OCC ZINC000032995857 556611412 /nfs/dbraw/zinc/61/14/12/556611412.db2.gz WCJAGVSSSVLVIA-UHFFFAOYSA-N 0 0 447.564 5.187 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(-c3ccccc3)csc2c1=O ZINC000038486775 556612878 /nfs/dbraw/zinc/61/28/78/556612878.db2.gz LHWHKOKCCKFZHN-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)cc2)cs1 ZINC000016504627 556613013 /nfs/dbraw/zinc/61/30/13/556613013.db2.gz WNDIIQUGOMTVMM-UHFFFAOYSA-N 0 0 427.888 6.127 50 0 IKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cccc(OCc2ccncc2)c1 ZINC000032915683 556613041 /nfs/dbraw/zinc/61/30/41/556613041.db2.gz FDXWNSILMAPBLR-UHFFFAOYSA-N 0 0 449.514 5.345 50 0 IKAARN COc1ccccc1[C@H](Nc1cccc(C)n1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546922 556613739 /nfs/dbraw/zinc/61/37/39/556613739.db2.gz DEQHHHBVSVIHQZ-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546934 556613983 /nfs/dbraw/zinc/61/39/83/556613983.db2.gz GCDZIEGBQABOQP-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 ZINC000016525526 556613986 /nfs/dbraw/zinc/61/39/86/556613986.db2.gz JYDMMFKNLCWIOC-UHFFFAOYSA-N 0 0 440.886 6.744 50 0 IKAARN CSc1ccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547012 556614018 /nfs/dbraw/zinc/61/40/18/556614018.db2.gz CQMDDPOWGLBMCB-OAQYLSRUSA-N 0 0 435.574 6.220 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccccc1F)CCCC2)c1ccco1 ZINC000038547382 556614037 /nfs/dbraw/zinc/61/40/37/556614037.db2.gz ZRVMTOCALMPVHW-QHCPKHFHSA-N 0 0 447.535 6.208 50 0 IKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551001 556614263 /nfs/dbraw/zinc/61/42/63/556614263.db2.gz LRQKFHQBOACSNQ-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccc(C(C)C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038550556 556614337 /nfs/dbraw/zinc/61/43/37/556614337.db2.gz FDHDSGHWXDNPCF-QHCPKHFHSA-N 0 0 431.561 6.622 50 0 IKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551017 556614560 /nfs/dbraw/zinc/61/45/60/556614560.db2.gz MXMOHRMARIKQKW-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN CCCCc1cc(=O)oc2cc(OCC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)cc12 ZINC000004986064 556614898 /nfs/dbraw/zinc/61/48/98/556614898.db2.gz WWOZXFSEGKBXFA-UHFFFAOYSA-N 0 0 428.956 5.953 50 0 IKAARN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000016608438 556616976 /nfs/dbraw/zinc/61/69/76/556616976.db2.gz YXOHRYLHCVUPMD-YHBROIRLSA-N 0 0 442.648 6.359 50 0 IKAARN CSCC[C@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc2ccccc2[nH]1 ZINC000016645858 556619747 /nfs/dbraw/zinc/61/97/47/556619747.db2.gz GTRHHUCOSCOYPH-FQEVSTJZSA-N 0 0 436.606 5.148 50 0 IKAARN Cc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)N=C2Oc2cccc3cccnc32)cc1 ZINC000033678270 556621076 /nfs/dbraw/zinc/62/10/76/556621076.db2.gz YWXVSRTVNVMQGM-CJLVFECKSA-N 0 0 439.902 6.019 50 0 IKAARN Cc1cccc([C@H](CC(=O)NCC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033689076 556621323 /nfs/dbraw/zinc/62/13/23/556621323.db2.gz HWQZAJSLAUDDAE-SANMLTNESA-N 0 0 442.578 6.431 50 0 IKAARN COc1ccccc1/C=C/CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(F)c1 ZINC000016671573 556621554 /nfs/dbraw/zinc/62/15/54/556621554.db2.gz IDTROOXJTQUDBU-VBIRRTOMSA-N 0 0 433.523 5.512 50 0 IKAARN COc1cc2c(cc1CN1CCN(c3cccc(Cl)c3)CC1)oc(C)c2-c1ccccc1 ZINC000016677711 556622655 /nfs/dbraw/zinc/62/26/55/556622655.db2.gz RVIFMSQWVBNQGT-UHFFFAOYSA-N 0 0 446.978 6.392 50 0 IKAARN COc1cc2c(cc1CN1CCN(c3ccccc3F)CC1)oc(C)c2-c1ccccc1 ZINC000016677709 556622678 /nfs/dbraw/zinc/62/26/78/556622678.db2.gz HPRLIYDHQRSFBD-UHFFFAOYSA-N 0 0 430.523 5.878 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1S[C@H](C)c1nc2ccccc2n1C(F)F ZINC000046552197 556622854 /nfs/dbraw/zinc/62/28/54/556622854.db2.gz IOHVQFZSVNIQKG-CQSZACIVSA-N 0 0 428.508 5.795 50 0 IKAARN CC[C@@H](C)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)c1ccccc1C ZINC000033703233 556622867 /nfs/dbraw/zinc/62/28/67/556622867.db2.gz VPMRWUFACCODHQ-OAQYLSRUSA-N 0 0 434.605 5.526 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1ccc(F)cc1 ZINC000033716087 556626533 /nfs/dbraw/zinc/62/65/33/556626533.db2.gz ZSPRAZKCGOGCBK-UHFFFAOYSA-N 0 0 444.453 5.895 50 0 IKAARN COc1cc2ccccc2cc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000033728976 556626830 /nfs/dbraw/zinc/62/68/30/556626830.db2.gz CPHJASJZNVKNFE-UHFFFAOYSA-N 0 0 442.496 5.170 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)Nc1cc(F)ccc1F ZINC000032999169 556627307 /nfs/dbraw/zinc/62/73/07/556627307.db2.gz JXYGMTWNYFQKBH-UHFFFAOYSA-N 0 0 449.461 5.419 50 0 IKAARN Cc1ccccc1NC(=O)N1CCN(c2ccc(-c3noc(C4CCCCC4)n3)cc2)CC1 ZINC000032999121 556627342 /nfs/dbraw/zinc/62/73/42/556627342.db2.gz DBELTDZIDXVGLU-UHFFFAOYSA-N 0 0 445.567 5.447 50 0 IKAARN COc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cs2)c1 ZINC000033736900 556627763 /nfs/dbraw/zinc/62/77/63/556627763.db2.gz CLIFDRFWMJIZDM-UHFFFAOYSA-N 0 0 435.936 6.468 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000016694938 556628240 /nfs/dbraw/zinc/62/82/40/556628240.db2.gz RFZNBOLSKBZJLM-AWEZNQCLSA-N 0 0 444.482 5.071 50 0 IKAARN CSCC[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2ccccc2[nH]1 ZINC000016695532 556628942 /nfs/dbraw/zinc/62/89/42/556628942.db2.gz PJIMPJFRZFMNHQ-KRWDZBQOSA-N 0 0 448.573 5.657 50 0 IKAARN C[C@H](OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1nc2ccccc2s1 ZINC000016699227 556629265 /nfs/dbraw/zinc/62/92/65/556629265.db2.gz CBOVVZMPYDEDAL-KRWDZBQOSA-N 0 0 444.556 5.606 50 0 IKAARN CCCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000033743488 556629297 /nfs/dbraw/zinc/62/92/97/556629297.db2.gz OYFNFOGQSPRDFR-UHFFFAOYSA-N 0 0 442.525 6.696 50 0 IKAARN O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000016699339 556629442 /nfs/dbraw/zinc/62/94/42/556629442.db2.gz KNAHKFFKWCNXMC-CQSZACIVSA-N 0 0 431.970 5.016 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cc2ccccc2o1 ZINC000039757701 556629849 /nfs/dbraw/zinc/62/98/49/556629849.db2.gz JOIQWEWLONPVGB-UHFFFAOYSA-N 0 0 428.464 5.281 50 0 IKAARN CCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000033749017 556629786 /nfs/dbraw/zinc/62/97/86/556629786.db2.gz RPWPSORUBPACEG-UHFFFAOYSA-N 0 0 433.339 5.624 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000039763261 556630092 /nfs/dbraw/zinc/63/00/92/556630092.db2.gz ULQIJKSCZHGBFW-UHFFFAOYSA-N 0 0 444.919 5.796 50 0 IKAARN O=C(c1cccc(Br)c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000033752790 556630456 /nfs/dbraw/zinc/63/04/56/556630456.db2.gz KEWPQBMXWCRAJX-UHFFFAOYSA-N 0 0 446.732 5.172 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000039944183 556630553 /nfs/dbraw/zinc/63/05/53/556630553.db2.gz WPDKSIHFDSWLRC-UNMCSNQZSA-N 0 0 441.275 5.970 50 0 IKAARN CC1(C)[C@H](C(=O)Nc2nnc(SCc3ccccc3Cl)s2)[C@H]1C=C(Cl)Cl ZINC000016733612 556632438 /nfs/dbraw/zinc/63/24/38/556632438.db2.gz LFEBJETXWVGQNQ-MFKMUULPSA-N 0 0 448.828 6.014 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000016733603 556632497 /nfs/dbraw/zinc/63/24/97/556632497.db2.gz LFEBJETXWVGQNQ-GXFFZTMASA-N 0 0 448.828 6.014 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016736072 556633302 /nfs/dbraw/zinc/63/33/02/556633302.db2.gz BACXUSJBXUQDJB-QHCPKHFHSA-N 0 0 426.472 5.117 50 0 IKAARN Cc1cccnc1N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000016736368 556633331 /nfs/dbraw/zinc/63/33/31/556633331.db2.gz RGKADQYFWIDCHW-IBGZPJMESA-N 0 0 447.288 5.009 50 0 IKAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016736066 556633362 /nfs/dbraw/zinc/63/33/62/556633362.db2.gz MVILZYJUSXMWGR-DEOSSOPVSA-N 0 0 440.499 5.507 50 0 IKAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016737335 556633864 /nfs/dbraw/zinc/63/38/64/556633864.db2.gz IOVGVXPIQFBBJN-HSZRJFAPSA-N 0 0 426.472 5.035 50 0 IKAARN CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000016739438 556634181 /nfs/dbraw/zinc/63/41/81/556634181.db2.gz NLHHBFZBCHICLP-DHLKQENFSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000016739439 556634223 /nfs/dbraw/zinc/63/42/23/556634223.db2.gz NLHHBFZBCHICLP-WIOPSUGQSA-N 0 0 434.923 5.990 50 0 IKAARN COc1ccc2o/c(=N\c3cccc(C(F)(F)F)c3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000033786997 556635107 /nfs/dbraw/zinc/63/51/07/556635107.db2.gz WTQZQPJVQJEJOM-NFFVHWSESA-N 0 0 435.405 6.236 50 0 IKAARN CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000016741858 556635757 /nfs/dbraw/zinc/63/57/57/556635757.db2.gz QIAMKXBQHXBJRD-DEOSSOPVSA-N 0 0 427.475 5.548 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016741939 556635797 /nfs/dbraw/zinc/63/57/97/556635797.db2.gz MEQDVJOJROYLBQ-RUZDIDTESA-N 0 0 437.539 6.144 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)Oc1cc2sc(=O)oc2c(-c2ccc(C)cc2)c1 ZINC000016742483 556636322 /nfs/dbraw/zinc/63/63/22/556636322.db2.gz SERXKEFUDAHNHS-UHFFFAOYSA-N 0 0 430.481 6.412 50 0 IKAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000016749936 556636847 /nfs/dbraw/zinc/63/68/47/556636847.db2.gz RDTSIUBRUZALIF-XMMPIXPASA-N 0 0 443.499 5.556 50 0 IKAARN CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000016751013 556637290 /nfs/dbraw/zinc/63/72/90/556637290.db2.gz JTDXGCUSUDERQT-YKSBVNFPSA-N 0 0 447.531 5.086 50 0 IKAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC ZINC000016751113 556637326 /nfs/dbraw/zinc/63/73/26/556637326.db2.gz LBGKWLAWCPUNDO-XMMPIXPASA-N 0 0 449.547 5.716 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000016751981 556637849 /nfs/dbraw/zinc/63/78/49/556637849.db2.gz JENYCZLYNCBOLH-VWLOTQADSA-N 0 0 439.511 5.717 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC)c(OCC)c1 ZINC000016751943 556637857 /nfs/dbraw/zinc/63/78/57/556637857.db2.gz ZGEKDBFBFBNGAJ-QHCPKHFHSA-N 0 0 435.520 5.326 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016752444 556637895 /nfs/dbraw/zinc/63/78/95/556637895.db2.gz XIKFNUOIXULOQY-DEOSSOPVSA-N 0 0 425.484 5.327 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(OC)cc1 ZINC000016752752 556638110 /nfs/dbraw/zinc/63/81/10/556638110.db2.gz FTTJGCKJTMQJOA-UHFFFAOYSA-N 0 0 430.441 5.162 50 0 IKAARN O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000061529873 556638660 /nfs/dbraw/zinc/63/86/60/556638660.db2.gz KORNTTYATKFLDI-QHCPKHFHSA-N 0 0 433.983 5.338 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CC(C)C)C1 ZINC000037442374 556638747 /nfs/dbraw/zinc/63/87/47/556638747.db2.gz FOKDVYAMIQJLDS-HXUWFJFHSA-N 0 0 432.486 5.582 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3ccccc3F)n2Cc2ccc(C(F)(F)F)cc2)s1 ZINC000037526483 556639327 /nfs/dbraw/zinc/63/93/27/556639327.db2.gz AYGWLRSAYQTXOV-UHFFFAOYSA-N 0 0 446.469 6.147 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nnc2sc3ccccc3n12 ZINC000016763469 556639740 /nfs/dbraw/zinc/63/97/40/556639740.db2.gz LAWHQZXGGQUKOG-LLVKDONJSA-N 0 0 432.958 5.034 50 0 IKAARN COc1ccc(OCc2nn(CC(=O)N(c3ccccc3)c3ccccc3)c(=S)o2)cc1 ZINC000016768594 556640025 /nfs/dbraw/zinc/64/00/25/556640025.db2.gz KAUFQVLRANCVJC-UHFFFAOYSA-N 0 0 447.516 5.158 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)cc1 ZINC000005145384 556642694 /nfs/dbraw/zinc/64/26/94/556642694.db2.gz JUCGFXJWCCLWKE-UHFFFAOYSA-N 0 0 425.623 5.227 50 0 IKAARN Cc1cccc(C(=O)N[C@@H](Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000016790946 556642746 /nfs/dbraw/zinc/64/27/46/556642746.db2.gz QPQFRXJMDBBAPZ-OAHLLOKOSA-N 0 0 436.564 5.296 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCc3ccc(C)cc3)c(C)c12 ZINC000005151963 556642837 /nfs/dbraw/zinc/64/28/37/556642837.db2.gz PDTDYCSJJVCWQA-UHFFFAOYSA-N 0 0 426.564 5.212 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)CC(=O)N1Cc1cccc(F)c1F ZINC000037575611 556643503 /nfs/dbraw/zinc/64/35/03/556643503.db2.gz PMSVIIKEZDFIPE-SFHVURJKSA-N 0 0 433.882 5.360 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2Cl)CC(=O)N1Cc1ccccc1F ZINC000037575818 556643580 /nfs/dbraw/zinc/64/35/80/556643580.db2.gz MRONSPAMKHXTKF-LJQANCHMSA-N 0 0 429.919 5.468 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(Oc5ccc(F)cc5)cc4)no3)CC2=O)cc1 ZINC000040454667 556643783 /nfs/dbraw/zinc/64/37/83/556643783.db2.gz AEXSUAISKVBGEC-GOSISDBHSA-N 0 0 429.451 5.497 50 0 IKAARN Cc1cccc(CN2C(=O)C[C@H](c3ccc(C(F)(F)F)cc3)C(C(=O)OC(C)C)=C2C)c1 ZINC000037576799 556643803 /nfs/dbraw/zinc/64/38/03/556643803.db2.gz RSLQCUMOIMFNFL-OAQYLSRUSA-N 0 0 445.481 5.756 50 0 IKAARN Cc1ccc(CN2C(=O)C[C@@H](c3ccc(C(F)(F)F)cc3)C(C(=O)OC(C)C)=C2C)cc1 ZINC000037576328 556643812 /nfs/dbraw/zinc/64/38/12/556643812.db2.gz VHSKESPFTWUZFA-NRFANRHFSA-N 0 0 445.481 5.756 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2C(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000037576358 556643833 /nfs/dbraw/zinc/64/38/33/556643833.db2.gz FNHQGNJRFZZQCR-HXUWFJFHSA-N 0 0 445.481 5.695 50 0 IKAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000016806318 556643940 /nfs/dbraw/zinc/64/39/40/556643940.db2.gz VCHCPUBJNITXQF-QHCPKHFHSA-N 0 0 444.922 5.193 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1Cc1ccco1 ZINC000016806304 556643996 /nfs/dbraw/zinc/64/39/96/556643996.db2.gz QAJZLOJSBMOEOY-VWLOTQADSA-N 0 0 449.462 5.924 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 ZINC000016806381 556644192 /nfs/dbraw/zinc/64/41/92/556644192.db2.gz JXJFSNKYBWGLMK-UHFFFAOYSA-N 0 0 434.860 5.807 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccccc3)cc2)cc1 ZINC000037555319 556644404 /nfs/dbraw/zinc/64/44/04/556644404.db2.gz CFXKAOMUEJCJJY-UHFFFAOYSA-N 0 0 438.527 5.294 50 0 IKAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccccc3)cc2)c1 ZINC000037555395 556644464 /nfs/dbraw/zinc/64/44/64/556644464.db2.gz MZPGWCCFZZZTCY-UHFFFAOYSA-N 0 0 448.566 5.701 50 0 IKAARN COc1ccc(Br)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000040566656 556644946 /nfs/dbraw/zinc/64/49/46/556644946.db2.gz CORSCAJPNHYPIU-UHFFFAOYSA-N 0 0 446.533 5.186 50 0 IKAARN Cc1cccc(CNC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)CC(C)C)cc2)c1 ZINC000037557242 556645327 /nfs/dbraw/zinc/64/53/27/556645327.db2.gz ZRZBZVNTPNYINM-UHFFFAOYSA-N 0 0 428.576 5.433 50 0 IKAARN COc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(C)cc3)C(=O)CC(C)C)c2)cc1 ZINC000037601127 556646249 /nfs/dbraw/zinc/64/62/49/556646249.db2.gz FWHNPEJBIVABBS-UHFFFAOYSA-N 0 0 444.575 5.764 50 0 IKAARN COc1ccccc1-c1cc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nccn2n1 ZINC000016842103 556646325 /nfs/dbraw/zinc/64/63/25/556646325.db2.gz SBGGFZDCOHIMCN-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1 ZINC000016841707 556646372 /nfs/dbraw/zinc/64/63/72/556646372.db2.gz MIMHQFDTXILGSM-UHFFFAOYSA-N 0 0 436.968 5.651 50 0 IKAARN CCCN(C)C(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)c2cccc(OC)c2)c1 ZINC000037601780 556646440 /nfs/dbraw/zinc/64/64/40/556646440.db2.gz JVRBCVUZMAJXHK-UHFFFAOYSA-N 0 0 444.575 5.262 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c(C)c1 ZINC000016844938 556646583 /nfs/dbraw/zinc/64/65/83/556646583.db2.gz OSDBPEBEZHDHIJ-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845107 556646835 /nfs/dbraw/zinc/64/68/35/556646835.db2.gz VUZCFBVMEKDYFY-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)cc1 ZINC000016846069 556647071 /nfs/dbraw/zinc/64/70/71/556647071.db2.gz XTIIFIBWWVPJLL-UHFFFAOYSA-N 0 0 449.601 5.264 50 0 IKAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(C)c3)n2)cc1 ZINC000016846465 556647073 /nfs/dbraw/zinc/64/70/73/556647073.db2.gz WGZPZOJGVDUKOV-UHFFFAOYSA-N 0 0 439.562 5.215 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000016846890 556647456 /nfs/dbraw/zinc/64/74/56/556647456.db2.gz ILQMJBBRNJWTRD-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2cc(C)cc(C)c2)n(C)c3=O)cc1 ZINC000016846693 556647481 /nfs/dbraw/zinc/64/74/81/556647481.db2.gz CMIQERUINLYLPV-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 ZINC000016902527 556648433 /nfs/dbraw/zinc/64/84/33/556648433.db2.gz DXPREYQJWKUNRD-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)c1 ZINC000016902536 556648454 /nfs/dbraw/zinc/64/84/54/556648454.db2.gz FOUORYHPPZDWAS-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3)c3ccccc3S2)cc1 ZINC000016953582 556650179 /nfs/dbraw/zinc/65/01/79/556650179.db2.gz JPGYREVTMJFGMQ-JOCHJYFZSA-N 0 0 436.508 5.043 50 0 IKAARN COc1cccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016960511 556651220 /nfs/dbraw/zinc/65/12/20/556651220.db2.gz XOOQRKAUKCVRGU-UHFFFAOYSA-N 0 0 440.551 5.870 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccc(F)c1 ZINC000011757667 556651535 /nfs/dbraw/zinc/65/15/35/556651535.db2.gz GRZAFQJREDFOIE-UHFFFAOYSA-N 0 0 429.904 5.188 50 0 IKAARN Cc1ccccc1CSC1=NCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011757701 556651736 /nfs/dbraw/zinc/65/17/36/556651736.db2.gz DNMUIQPOIYKVKP-UHFFFAOYSA-N 0 0 446.416 5.778 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1nnc(SCc2ccc(Br)cc2)s1 ZINC000016972103 556651756 /nfs/dbraw/zinc/65/17/56/556651756.db2.gz JXYDLCYYYRUXPO-DHZHZOJOSA-N 0 0 432.368 5.245 50 0 IKAARN COc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1 ZINC000016991351 556652026 /nfs/dbraw/zinc/65/20/26/556652026.db2.gz NKJZNCIUGHNGEN-UHFFFAOYSA-N 0 0 438.940 5.098 50 0 IKAARN CC(=O)c1c(C)cc(C)c(CSc2nnc(NC(=O)C=Cc3ccccc3)s2)c1C ZINC000016994966 556652424 /nfs/dbraw/zinc/65/24/24/556652424.db2.gz UGRWNGSQNDUKFD-ZHACJKMWSA-N 0 0 437.590 5.610 50 0 IKAARN CC(C)CCSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1 ZINC000011758354 556652542 /nfs/dbraw/zinc/65/25/42/556652542.db2.gz QYZNISCCUIJEFJ-UHFFFAOYSA-N 0 0 438.622 5.084 50 0 IKAARN CCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000005155751 556652682 /nfs/dbraw/zinc/65/26/82/556652682.db2.gz XMQSCFMDPFBBLF-DLBZAZTESA-N 0 0 426.561 5.161 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccccc1)c1ccc(Br)o1 ZINC000011758389 556652759 /nfs/dbraw/zinc/65/27/59/556652759.db2.gz HXCFGZOBNGUVLM-UHFFFAOYSA-N 0 0 425.238 5.293 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccccc2)c(OC)c1 ZINC000011758411 556652772 /nfs/dbraw/zinc/65/27/72/556652772.db2.gz MCEIPLQRFAOIRH-QINSGFPZSA-N 0 0 442.471 5.354 50 0 IKAARN FC(F)(F)c1ccc(CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)cc1 ZINC000011758565 556653166 /nfs/dbraw/zinc/65/31/66/556653166.db2.gz KXNLOWYMSLEEBL-UHFFFAOYSA-N 0 0 435.862 5.234 50 0 IKAARN COc1ccc(C)cc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000017026202 556653586 /nfs/dbraw/zinc/65/35/86/556653586.db2.gz IMKBJGOATSJKNM-UHFFFAOYSA-N 0 0 439.947 5.214 50 0 IKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3ccc(C)c(C)c3)n2)cc1 ZINC000017041634 556653859 /nfs/dbraw/zinc/65/38/59/556653859.db2.gz VXVZWHFCAJLOKX-UHFFFAOYSA-N 0 0 434.547 6.096 50 0 IKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3ccc(Cl)cc3)n2)cc1 ZINC000017041642 556653935 /nfs/dbraw/zinc/65/39/35/556653935.db2.gz QOMJXHSNUYHMKI-UHFFFAOYSA-N 0 0 440.938 6.133 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)Nc1ccccc1 ZINC000033000395 556654250 /nfs/dbraw/zinc/65/42/50/556654250.db2.gz XYKVOHCTGVAQMC-UHFFFAOYSA-N 0 0 437.521 5.419 50 0 IKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)sc2c1 ZINC000033000764 556654266 /nfs/dbraw/zinc/65/42/66/556654266.db2.gz VYVHSTHXFZUBLI-UHFFFAOYSA-N 0 0 427.595 5.773 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)C4CCCCC4)cc3s2)c1 ZINC000033000455 556654286 /nfs/dbraw/zinc/65/42/86/556654286.db2.gz KEDULBJVUBVXJH-UHFFFAOYSA-N 0 0 439.606 5.854 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C4CCCCC4)cc3s2)cc1 ZINC000033000482 556654293 /nfs/dbraw/zinc/65/42/93/556654293.db2.gz UWGKXZAUNNULBC-UHFFFAOYSA-N 0 0 439.606 5.854 50 0 IKAARN COc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)c1 ZINC000033000422 556654322 /nfs/dbraw/zinc/65/43/22/556654322.db2.gz QSDSZKNWRREEQF-UHFFFAOYSA-N 0 0 449.557 5.288 50 0 IKAARN Cc1nn(-c2nc(CC(=O)N3CCCCCC3)cs2)c(C)c1Cc1ccccc1Cl ZINC000033004569 556654779 /nfs/dbraw/zinc/65/47/79/556654779.db2.gz KOZJIXRATWMNBD-UHFFFAOYSA-N 0 0 443.016 5.135 50 0 IKAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)csc2n1 ZINC000011768228 556654830 /nfs/dbraw/zinc/65/48/30/556654830.db2.gz KIGARUPFWFYJOM-UHFFFAOYSA-N 0 0 430.316 5.291 50 0 IKAARN O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000017064734 556654904 /nfs/dbraw/zinc/65/49/04/556654904.db2.gz WNJJMJIKOABPOZ-UHFFFAOYSA-N 0 0 440.465 5.027 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000017062636 556654907 /nfs/dbraw/zinc/65/49/07/556654907.db2.gz OQAXQTDXFVIRNN-UHFFFAOYSA-N 0 0 430.592 5.025 50 0 IKAARN CCCCCCOc1ccc(NC(=O)c2c([O-])c3ccccc3n(CCCC)c2=O)cc1 ZINC000100708207 556655659 /nfs/dbraw/zinc/65/56/59/556655659.db2.gz OHQDOIIPACICAH-UHFFFAOYSA-N 0 0 436.552 5.719 50 0 IKAARN COc1cc(NC(=O)Nc2cc(C)cc(C)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008609 556656221 /nfs/dbraw/zinc/65/62/21/556656221.db2.gz BTGRPUMEVQZUDP-UHFFFAOYSA-N 0 0 446.532 5.818 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(OC)c2)cc1 ZINC000033008602 556656285 /nfs/dbraw/zinc/65/62/85/556656285.db2.gz OFKKGSJRHMEKRT-UHFFFAOYSA-N 0 0 446.532 5.764 50 0 IKAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C)s1 ZINC000033007699 556656551 /nfs/dbraw/zinc/65/65/51/556656551.db2.gz LFMIJSUCHQSIMN-UHFFFAOYSA-N 0 0 431.583 5.052 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2Br)N3)C1 ZINC000017085964 556657061 /nfs/dbraw/zinc/65/70/61/556657061.db2.gz CMQOLSZFFMRCEE-QGHHPUGFSA-N 0 0 435.387 5.221 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000017085921 556657096 /nfs/dbraw/zinc/65/70/96/556657096.db2.gz YYVVLIYYXWRGTF-CYFREDJKSA-N 0 0 446.616 6.332 50 0 IKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(Br)cc3)cc2C)s1 ZINC000033008301 556657126 /nfs/dbraw/zinc/65/71/26/556657126.db2.gz CAXHDTZQPVJAJL-UHFFFAOYSA-N 0 0 433.331 5.360 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2Br)N3)C1 ZINC000017085966 556657132 /nfs/dbraw/zinc/65/71/32/556657132.db2.gz CMQOLSZFFMRCEE-BMLIUANNSA-N 0 0 435.387 5.221 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000017085941 556657149 /nfs/dbraw/zinc/65/71/49/556657149.db2.gz SFVPUTHNERPBEZ-QKKBWIMNSA-N 0 0 440.996 6.667 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(F)c4)OC3=O)cc2)cc1 ZINC000017086207 556657438 /nfs/dbraw/zinc/65/74/38/556657438.db2.gz KUDVKLTUZFWRBY-HZHRSRAPSA-N 0 0 443.474 5.687 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2Cl)c(-c2ccccc2OC)c1Cl ZINC000017094292 556657513 /nfs/dbraw/zinc/65/75/13/556657513.db2.gz STAGOKGPLPLVCL-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c1C ZINC000033009398 556657492 /nfs/dbraw/zinc/65/74/92/556657492.db2.gz YUVXIAIMHSGBDX-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3)ncn2)c1 ZINC000033010702 556657497 /nfs/dbraw/zinc/65/74/97/556657497.db2.gz GIEZIIHJUCNRRK-OAQYLSRUSA-N 0 0 436.559 5.947 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1C ZINC000033009404 556657545 /nfs/dbraw/zinc/65/75/45/556657545.db2.gz XQNSQYMWJPLMKU-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(C)c(F)c3)c2)cc1 ZINC000033009368 556657557 /nfs/dbraw/zinc/65/75/57/556657557.db2.gz SVWQVFHEYWXPEP-UHFFFAOYSA-N 0 0 446.526 5.939 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(NC(=O)NCc3ccccc3)c2)c1 ZINC000033009553 556657655 /nfs/dbraw/zinc/65/76/55/556657655.db2.gz IGUOOABJKUWOJF-UHFFFAOYSA-N 0 0 442.563 5.559 50 0 IKAARN Cc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017094329 556657622 /nfs/dbraw/zinc/65/76/22/556657622.db2.gz WHXUAENNZYYLES-UHFFFAOYSA-N 0 0 425.363 6.460 50 0 IKAARN O=C(Nc1ccccc1)Nc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCCC1 ZINC000033009715 556657884 /nfs/dbraw/zinc/65/78/84/556657884.db2.gz KGLMBXHATQTOOL-UHFFFAOYSA-N 0 0 448.954 6.227 50 0 IKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)c1 ZINC000033009815 556657904 /nfs/dbraw/zinc/65/79/04/556657904.db2.gz RVDDIZQTWVYVSX-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)cc1 ZINC000033009759 556657959 /nfs/dbraw/zinc/65/79/59/556657959.db2.gz YSOKFXXVHZQBAM-UHFFFAOYSA-N 0 0 446.526 5.885 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)c(C)c1 ZINC000033009821 556657972 /nfs/dbraw/zinc/65/79/72/556657972.db2.gz IZFCTHTTZJJXEO-UHFFFAOYSA-N 0 0 446.526 5.939 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCC1 ZINC000033009819 556657975 /nfs/dbraw/zinc/65/79/75/556657975.db2.gz WYKVTKOGLKJZTJ-UHFFFAOYSA-N 0 0 446.526 5.885 50 0 IKAARN CCOc1ccc(-n2c(SC[C@@H](O)c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000011811438 556658161 /nfs/dbraw/zinc/65/81/61/556658161.db2.gz ZZSOKTMVCVEKTR-HSZRJFAPSA-N 0 0 447.560 5.167 50 0 IKAARN CCCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1csc(C)c1 ZINC000017095097 556658335 /nfs/dbraw/zinc/65/83/35/556658335.db2.gz YDOAPULOHLSWOC-UHFFFAOYSA-N 0 0 426.636 6.449 50 0 IKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2cc(C)ccc2C)c1-c1ccc(OC)cc1 ZINC000017095033 556658342 /nfs/dbraw/zinc/65/83/42/556658342.db2.gz SOKPATMZXLLXKF-UHFFFAOYSA-N 0 0 426.560 6.462 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)c1 ZINC000033010480 556658362 /nfs/dbraw/zinc/65/83/62/556658362.db2.gz GIKLYMBHGMDLSO-LJQANCHMSA-N 0 0 438.531 5.695 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033010488 556658376 /nfs/dbraw/zinc/65/83/76/556658376.db2.gz MVZRDJHRMNOBAV-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN S=C1N=NC(CSCc2ccccc2)N1c1ccc(Br)cc1Cl ZINC000017095118 556658598 /nfs/dbraw/zinc/65/85/98/556658598.db2.gz DGKDXKLCKNYAPG-UHFFFAOYSA-N 0 0 426.792 5.405 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000017095225 556658618 /nfs/dbraw/zinc/65/86/18/556658618.db2.gz JKSIXAZGKFNCSJ-MSOLQXFVSA-N 0 0 426.973 5.262 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010617 556658640 /nfs/dbraw/zinc/65/86/40/556658640.db2.gz RMEHKHCYGUYOHV-XMMPIXPASA-N 0 0 438.506 5.834 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010642 556658697 /nfs/dbraw/zinc/65/86/97/556658697.db2.gz NLSCIFJAZRNVHZ-UHFFFAOYSA-N 0 0 445.320 5.902 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)ncn2)c1 ZINC000033010681 556658719 /nfs/dbraw/zinc/65/87/19/556658719.db2.gz YRCZZKKTKPNTPO-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010896 556658834 /nfs/dbraw/zinc/65/88/34/556658834.db2.gz LGTZODMPXNCNGF-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN CCn1c(CC2CCCCC2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000017095345 556658809 /nfs/dbraw/zinc/65/88/09/556658809.db2.gz SYTPTDAWRZMCJN-UHFFFAOYSA-N 0 0 427.401 5.458 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3)ncn2)cc1 ZINC000033010852 556658863 /nfs/dbraw/zinc/65/88/63/556658863.db2.gz BAVVRTQPBKMNRB-OAQYLSRUSA-N 0 0 436.559 5.947 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033010902 556659076 /nfs/dbraw/zinc/65/90/76/556659076.db2.gz FTVOGORVGAYVDD-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000011834956 556659358 /nfs/dbraw/zinc/65/93/58/556659358.db2.gz ZTYHJHGJJUZMFI-UHFFFAOYSA-N 0 0 449.557 5.821 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010763 556659363 /nfs/dbraw/zinc/65/93/63/556659363.db2.gz MBHFCMIFPXDDCI-LJQANCHMSA-N 0 0 440.522 5.777 50 0 IKAARN CC(C)=CCCC1=CCC2(COC([C@H]3CC=C(CCC=C(C)C)C[C@@H]3C)OC2)[C@H](C)C1 ZINC000100741627 556659967 /nfs/dbraw/zinc/65/99/67/556659967.db2.gz MFGNVTISQZYJEE-UUDPSPCASA-N 0 0 426.685 8.167 50 0 biogenic IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000017096256 556660006 /nfs/dbraw/zinc/66/00/06/556660006.db2.gz XDWAPXLQIGOAJP-UHFFFAOYSA-N 0 0 428.963 7.548 50 0 IKAARN Cc1ccc(O)c(NC(=S)Nc2sc3c(c2C(=O)N2CCCCC2)CCCC3)c1 ZINC000017096657 556660464 /nfs/dbraw/zinc/66/04/64/556660464.db2.gz JFQFYWBQESUEQO-UHFFFAOYSA-N 0 0 429.611 5.076 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(C)=O)cc1 ZINC000011847440 556660564 /nfs/dbraw/zinc/66/05/64/556660564.db2.gz OIKZXNWVRLNNHN-HSZRJFAPSA-N 0 0 442.544 5.307 50 0 IKAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2c1 ZINC000017096979 556660691 /nfs/dbraw/zinc/66/06/91/556660691.db2.gz BCYICWAYOHFPER-UHFFFAOYSA-N 0 0 430.511 5.843 50 0 IKAARN C[C@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)N(C)c1ccccc1F ZINC000043068437 556660887 /nfs/dbraw/zinc/66/08/87/556660887.db2.gz ADDQHLREJDZPMT-AWEZNQCLSA-N 0 0 440.858 5.843 50 0 in-vitro IKAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccs2)cc1 ZINC000011852387 556661355 /nfs/dbraw/zinc/66/13/55/556661355.db2.gz NZRVWGOAZMGHHN-LJQANCHMSA-N 0 0 441.350 5.511 50 0 IKAARN C=Cc1ccc(Cn2nc(-c3ccccc3OC)c(Cl)c2-c2ccccc2OC)cc1 ZINC000017097263 556661437 /nfs/dbraw/zinc/66/14/37/556661437.db2.gz IYHNTRSFSZTFKM-UHFFFAOYSA-N 0 0 430.935 6.579 50 0 IKAARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cc(Cl)sc1Cl ZINC000011852366 556661474 /nfs/dbraw/zinc/66/14/74/556661474.db2.gz ABJCJNOCJZSDCW-UHFFFAOYSA-N 0 0 430.190 6.799 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1S(=O)(=O)c1ccc(C)cc1 ZINC000011852389 556661707 /nfs/dbraw/zinc/66/17/07/556661707.db2.gz ACLQNVLCZDOYTJ-QFIPXVFZSA-N 0 0 440.952 5.197 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000033013082 556662366 /nfs/dbraw/zinc/66/23/66/556662366.db2.gz MDXNGBYTPYMRNY-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)Nc1ccccc1C ZINC000033013105 556662392 /nfs/dbraw/zinc/66/23/92/556662392.db2.gz CBJCJFCPJORHFO-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COC(=O)c1c(NC(=S)Nc2cc(Cl)ccc2O)sc(C)c1-c1ccccc1 ZINC000017098265 556663010 /nfs/dbraw/zinc/66/30/10/556663010.db2.gz SFVFJFUNPSRCKU-UHFFFAOYSA-N 0 0 432.954 5.678 50 0 IKAARN Cc1nn(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c(C)c1Cl ZINC000017098308 556663045 /nfs/dbraw/zinc/66/30/45/556663045.db2.gz OWBHTMICXIBHDL-UHFFFAOYSA-N 0 0 433.289 6.121 50 0 IKAARN CCc1c(C)scc1C(=O)Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCCCC3 ZINC000017098624 556663551 /nfs/dbraw/zinc/66/35/51/556663551.db2.gz GSESJHDNKJGYHM-UHFFFAOYSA-N 0 0 433.624 5.096 50 0 IKAARN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000017098725 556663590 /nfs/dbraw/zinc/66/35/90/556663590.db2.gz KSKDCXQFMHDXQE-UHFFFAOYSA-N 0 0 434.153 7.820 50 0 IKAARN COc1ccccc1Oc1coc2cc(OCc3c(Cl)cccc3Cl)ccc2c1=O ZINC000011865236 556664335 /nfs/dbraw/zinc/66/43/35/556664335.db2.gz UDVWJSZWUGACBN-UHFFFAOYSA-N 0 0 443.282 6.480 50 0 IKAARN COc1cccc(Oc2c(C)oc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)c1 ZINC000011865243 556664363 /nfs/dbraw/zinc/66/43/63/556664363.db2.gz ZOTIOESQJNRQOG-UHFFFAOYSA-N 0 0 440.854 6.274 50 0 IKAARN COc1ccc(Cn2nc(-c3ccccc3OC)c(Cl)c2-c2ccccc2OC)cc1 ZINC000017099280 556664488 /nfs/dbraw/zinc/66/44/88/556664488.db2.gz GSPRVENQLYFGCB-UHFFFAOYSA-N 0 0 434.923 5.945 50 0 IKAARN Fc1ccc(CSCC2N=NC(=S)N2c2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000017099205 556664513 /nfs/dbraw/zinc/66/45/13/556664513.db2.gz HHUFQEWAPZQZJH-UHFFFAOYSA-N 0 0 434.776 6.089 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4F)cc3)nc(C)n2)cc1 ZINC000033014171 556664532 /nfs/dbraw/zinc/66/45/32/556664532.db2.gz XUNVBWKCFVEYJD-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN CC(=O)Nc1ccc2nc(SCc3ccc(I)cc3)sc2c1 ZINC000009761213 556664560 /nfs/dbraw/zinc/66/45/60/556664560.db2.gz JMONZZLKLUEBGT-UHFFFAOYSA-N 0 0 440.331 5.152 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCc2ccc(Cl)cc2)c1 ZINC000033014111 556664567 /nfs/dbraw/zinc/66/45/67/556664567.db2.gz LYGVCWOLQCKGAO-UHFFFAOYSA-N 0 0 436.964 5.882 50 0 IKAARN O=[P@@](Nc1ccc(SC(F)(F)F)cc1)(OCC(F)(F)F)Oc1ccccc1 ZINC000100754208 556664543 /nfs/dbraw/zinc/66/45/43/556664543.db2.gz KYOGHBDDQHHEKV-SANMLTNESA-N 0 0 431.294 6.476 50 0 IKAARN COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000011865071 556664624 /nfs/dbraw/zinc/66/46/24/556664624.db2.gz LYCHWCJXOUAOBI-UHFFFAOYSA-N 0 0 443.503 5.428 50 0 IKAARN COc1ccc(Oc2c(C)nc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000011865072 556664632 /nfs/dbraw/zinc/66/46/32/556664632.db2.gz WZDIDEYNVACCCN-UHFFFAOYSA-N 0 0 429.476 5.120 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N[C@@H](C)c1ccccc1 ZINC000017099439 556664643 /nfs/dbraw/zinc/66/46/43/556664643.db2.gz NNWGVNWWGSTWID-INIZCTEOSA-N 0 0 435.354 7.008 50 0 IKAARN S=C(Nc1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000017099369 556664755 /nfs/dbraw/zinc/66/47/55/556664755.db2.gz DYIZLPVBKUHEOU-UHFFFAOYSA-N 0 0 435.207 5.819 50 0 IKAARN Cc1ccc(C)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3cccc(C)c3n2)c1 ZINC000017099664 556664923 /nfs/dbraw/zinc/66/49/23/556664923.db2.gz MGSWXWHVAZIBFJ-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN COc1ccc(C(=O)COc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)cc1 ZINC000011865121 556664940 /nfs/dbraw/zinc/66/49/40/556664940.db2.gz QEGGWRAVRJUJTD-UHFFFAOYSA-N 0 0 430.456 5.047 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4)nc4c(C)cccc34)CC2)c1C ZINC000017099662 556664968 /nfs/dbraw/zinc/66/49/68/556664968.db2.gz IBRWWRJLMBJMJV-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN CCCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017099901 556665153 /nfs/dbraw/zinc/66/51/53/556665153.db2.gz AMBONZBAERDRPY-ZDUSSCGKSA-N 0 0 436.021 6.626 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(C(=O)OC)cc1)occ(-c1nc(C)cs1)c2=O ZINC000011867277 556665193 /nfs/dbraw/zinc/66/51/93/556665193.db2.gz XWHWCVLHOKZOSD-UHFFFAOYSA-N 0 0 435.501 5.153 50 0 IKAARN CCc1cc(-c2[nH]nc(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccc(Cl)cc1 ZINC000011867301 556665263 /nfs/dbraw/zinc/66/52/63/556665263.db2.gz MGOCXJHMCXMENN-UHFFFAOYSA-N 0 0 440.956 5.591 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3n2)s1 ZINC000017100229 556665247 /nfs/dbraw/zinc/66/52/47/556665247.db2.gz PYWYMKSEQVGVCS-BETUJISGSA-N 0 0 436.503 5.157 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1c2c(sc1NC(=O)C(F)(F)F)CCCC2 ZINC000017100027 556665252 /nfs/dbraw/zinc/66/52/52/556665252.db2.gz PZDWMDRJSRGGNG-UHFFFAOYSA-N 0 0 436.377 5.399 50 0 IKAARN CCc1cc2c(cc1OCc1ccccc1Cl)oc(N)c(-c1nc(C)cs1)c2=O ZINC000011867296 556665292 /nfs/dbraw/zinc/66/52/92/556665292.db2.gz NYOWGLAHVCKEDG-UHFFFAOYSA-N 0 0 426.925 5.602 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5cc(Cl)ccc54)C3)cc2C)cc1 ZINC000033018587 556665467 /nfs/dbraw/zinc/66/54/67/556665467.db2.gz QSRHCDROJPSPRE-UHFFFAOYSA-N 0 0 430.939 5.579 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCn4c(nc5cc(Cl)ccc54)C3)cc2C)c1 ZINC000033018584 556665510 /nfs/dbraw/zinc/66/55/10/556665510.db2.gz IXZYHVKCLRAEKW-UHFFFAOYSA-N 0 0 430.939 5.579 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(F)cc4)ccc3oc2=O)cc1OC ZINC000011866197 556665992 /nfs/dbraw/zinc/66/59/92/556665992.db2.gz MNQYBOLFVRPNKX-UHFFFAOYSA-N 0 0 434.419 5.144 50 0 IKAARN Cc1c2cc(OS(=O)(=O)c3ccccc3)ccc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000011866225 556666179 /nfs/dbraw/zinc/66/61/79/556666179.db2.gz UFNGVMLRWAWABD-UHFFFAOYSA-N 0 0 426.877 5.190 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC ZINC000011866269 556666182 /nfs/dbraw/zinc/66/61/82/556666182.db2.gz TUVGTXRRFPMPOL-UHFFFAOYSA-N 0 0 428.488 5.421 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1OC ZINC000011866289 556666212 /nfs/dbraw/zinc/66/62/12/556666212.db2.gz XMLWXXSHUFIWPS-UHFFFAOYSA-N 0 0 442.515 5.729 50 0 IKAARN COc1ccccc1Oc1cncnc1-c1ccc(OCc2cccc(Cl)c2)cc1O ZINC000011866297 556666222 /nfs/dbraw/zinc/66/62/22/556666222.db2.gz PCVMDDBOYTWQNR-UHFFFAOYSA-N 0 0 434.879 5.883 50 0 IKAARN O=C(N[C@@H](CCO)c1csc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000044198085 556666411 /nfs/dbraw/zinc/66/64/11/556666411.db2.gz KTYXMKNNGWMFRB-DEOSSOPVSA-N 0 0 429.541 5.864 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3ncncc3Oc3ccccc3OCC)c(O)c2)cc1 ZINC000011866355 556666558 /nfs/dbraw/zinc/66/65/58/556666558.db2.gz WNEYTTVOCJJYGP-UHFFFAOYSA-N 0 0 440.499 6.262 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc21 ZINC000011866432 556666585 /nfs/dbraw/zinc/66/65/85/556666585.db2.gz NGHQSQPJJRGPCW-UHFFFAOYSA-N 0 0 429.472 5.749 50 0 IKAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)c1 ZINC000011866366 556666606 /nfs/dbraw/zinc/66/66/06/556666606.db2.gz HTVNAGDYSBLZNT-UHFFFAOYSA-N 0 0 449.894 5.465 50 0 IKAARN Cc1ccc2c(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)cc(=O)oc2c1C ZINC000022984251 556666696 /nfs/dbraw/zinc/66/66/96/556666696.db2.gz DIWULHSYEHCGSL-UHFFFAOYSA-N 0 0 432.476 5.036 50 0 IKAARN CCOC(=O)[C@@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 ZINC000011866616 556666719 /nfs/dbraw/zinc/66/67/19/556666719.db2.gz CCVSZEVPEMJNRL-SANMLTNESA-N 0 0 442.511 5.684 50 0 IKAARN Cc1cc(Br)ccc1N1COc2c(C)c3oc(=O)c4c(c3cc2C1)CCCC4 ZINC000011866649 556666792 /nfs/dbraw/zinc/66/67/92/556666792.db2.gz XMAAOPADBUXMJF-UHFFFAOYSA-N 0 0 440.337 5.408 50 0 IKAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(-c4ccccc4)cc3)c12 ZINC000011866660 556666800 /nfs/dbraw/zinc/66/68/00/556666800.db2.gz FWPHNYHXTWDVDJ-UHFFFAOYSA-N 0 0 426.512 6.373 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000017102746 556667013 /nfs/dbraw/zinc/66/70/13/556667013.db2.gz ASIVTCOIGGIATF-UHFFFAOYSA-N 0 0 438.712 5.965 50 0 IKAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC000261494998 556667192 /nfs/dbraw/zinc/66/71/92/556667192.db2.gz CFVZGWVJWSBAGQ-UHFFFAOYSA-N 0 0 447.269 5.528 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCCc3ccccc3)c(=O)oc12 ZINC000011867414 556667203 /nfs/dbraw/zinc/66/72/03/556667203.db2.gz RHFMVQJBXRNVOO-UHFFFAOYSA-N 0 0 445.559 5.745 50 0 IKAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)cc1 ZINC000011867429 556667226 /nfs/dbraw/zinc/66/72/26/556667226.db2.gz JTPBOERBRZNGJK-UHFFFAOYSA-N 0 0 447.531 5.055 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000013512141 556667507 /nfs/dbraw/zinc/66/75/07/556667507.db2.gz XMXBWQIQUBPSMO-NHYWBVRUSA-N 0 0 446.400 6.281 50 0 IKAARN COc1ccccc1CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O ZINC000011867555 556667609 /nfs/dbraw/zinc/66/76/09/556667609.db2.gz XEUJIJBSVXBAAT-UHFFFAOYSA-N 0 0 433.504 5.030 50 0 IKAARN CC(C)Cc1ccc(-c2csc(-c3ncc(-c4ccc(CC(C)C)cc4)s3)n2)cc1 ZINC000044827467 556667849 /nfs/dbraw/zinc/66/78/49/556667849.db2.gz SUVNYRJEQLZYAQ-UHFFFAOYSA-N 0 0 432.658 7.998 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035944475 556667853 /nfs/dbraw/zinc/66/78/53/556667853.db2.gz WWIRURHQZFZMMK-NRFANRHFSA-N 0 0 433.483 5.062 50 0 IKAARN Cc1ccccc1-c1cnc(-c2cccnc2)nc1C1CCN(C(=O)CC2CCCC2)CC1 ZINC000011869096 556667857 /nfs/dbraw/zinc/66/78/57/556667857.db2.gz KDSJFMWSWKHUNL-UHFFFAOYSA-N 0 0 440.591 5.800 50 0 IKAARN O=C(Nc1nnc(CSCc2ccccc2Cl)s1)Nc1ccc(Cl)cc1 ZINC000017113103 556668081 /nfs/dbraw/zinc/66/80/81/556668081.db2.gz DSSHPSCHLLVRLU-UHFFFAOYSA-N 0 0 425.366 5.922 50 0 IKAARN CC(C)OCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017113525 556668156 /nfs/dbraw/zinc/66/81/56/556668156.db2.gz VNSDFZXSNUQMMB-UHFFFAOYSA-N 0 0 436.947 5.440 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)n2)cc1 ZINC000033318101 556668276 /nfs/dbraw/zinc/66/82/76/556668276.db2.gz FMVDBDDEVZCDQR-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3)[C@H]1C ZINC000248144724 556668940 /nfs/dbraw/zinc/66/89/40/556668940.db2.gz GZNYZDBQRWBYNT-GUXCAODWSA-N 0 0 426.557 5.019 50 0 IKAARN COc1ccccc1CNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C)c2)n1 ZINC000017135446 556669110 /nfs/dbraw/zinc/66/91/10/556669110.db2.gz NLFLRBYQFOGRKK-UHFFFAOYSA-N 0 0 436.519 5.488 50 0 IKAARN Cc1cccc2c(C)cc3nnc(SCC(=O)Nc4cccc(C(F)(F)F)c4)n3c12 ZINC000011903175 556669869 /nfs/dbraw/zinc/66/98/69/556669869.db2.gz VQQNZUSRUJJHMJ-UHFFFAOYSA-N 0 0 430.455 5.249 50 0 IKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(OC)cc2)cc1 ZINC000017145542 556669917 /nfs/dbraw/zinc/66/99/17/556669917.db2.gz ZKYOHMGJSZXKCN-UHFFFAOYSA-N 0 0 442.515 5.091 50 0 IKAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1nc(-c2ccccc2)cs1 ZINC000017160832 556670586 /nfs/dbraw/zinc/67/05/86/556670586.db2.gz AEGDOAXMSCIEDJ-UHFFFAOYSA-N 0 0 442.616 5.518 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)cc1 ZINC000017161186 556670824 /nfs/dbraw/zinc/67/08/24/556670824.db2.gz VEWBJQDRMRGUPF-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Cc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccc(C)cc3)c3ccccc32)cc1 ZINC000017161540 556670826 /nfs/dbraw/zinc/67/08/26/556670826.db2.gz WOZAWBKLXNLOKM-UHFFFAOYSA-N 0 0 441.538 6.996 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000017163085 556670831 /nfs/dbraw/zinc/67/08/31/556670831.db2.gz VPYUXZDYBUDDBW-UHFFFAOYSA-N 0 0 426.542 5.457 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)c2sc3nc(-c4ccccc4)c(C(C)=O)cc3c2N)c1C ZINC000032929442 556671404 /nfs/dbraw/zinc/67/14/04/556671404.db2.gz BKIVDSAEGWXVMO-UHFFFAOYSA-N 0 0 431.517 5.127 50 0 IKAARN CC12[C@@H]3c4cccc5cccc(c45)[C@H]3N([C@H]3c4cccc5cccc(c45)[C@@H]31)N2c1ccccc1 ZINC000017185764 556671919 /nfs/dbraw/zinc/67/19/19/556671919.db2.gz IDPUIWYSFAENMW-ZOLPILHQSA-N 0 0 436.558 7.479 50 0 IKAARN O=C(Nc1nnc(CSCc2ccccc2)s1)Nc1ccc(Cl)cc1Cl ZINC000017180407 556672065 /nfs/dbraw/zinc/67/20/65/556672065.db2.gz FXXGAHWKSMYTIZ-UHFFFAOYSA-N 0 0 425.366 5.922 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC=C1N=C(c2ccc(C)cc2)OC1=O ZINC000017185945 556672073 /nfs/dbraw/zinc/67/20/73/556672073.db2.gz IDUCIYATEATNBI-LFIBNONCSA-N 0 0 438.530 5.219 50 0 IKAARN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C/C=C/c1ccco1)C2 ZINC000011909747 556672223 /nfs/dbraw/zinc/67/22/23/556672223.db2.gz KDUCMSGFAILDGB-HWKANZROSA-N 0 0 425.912 5.525 50 0 IKAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccccc1Oc1ccccc1 ZINC000017198338 556672852 /nfs/dbraw/zinc/67/28/52/556672852.db2.gz KUBUOMIXZLUKKI-NRFANRHFSA-N 0 0 426.335 6.020 50 0 IKAARN CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 ZINC000011916503 556673327 /nfs/dbraw/zinc/67/33/27/556673327.db2.gz ZKSZWTGRQXJUDS-UHFFFAOYSA-N 0 0 427.869 5.034 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)no2)cc1 ZINC000011915069 556674136 /nfs/dbraw/zinc/67/41/36/556674136.db2.gz MGESOZMGGIMZNJ-UHFFFAOYSA-N 0 0 441.512 6.188 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000017265340 556674126 /nfs/dbraw/zinc/67/41/26/556674126.db2.gz PWFIAWWOPTVDMU-ISKFKSNPSA-N 0 0 433.349 6.308 50 0 IKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccccc2Br)ccc1Cl ZINC000032932133 556676865 /nfs/dbraw/zinc/67/68/65/556676865.db2.gz DYNJQTNWPYPLFQ-UHFFFAOYSA-N 0 0 441.716 5.397 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100817206 556677074 /nfs/dbraw/zinc/67/70/74/556677074.db2.gz BCSMSLRKNSRDKN-QFIPXVFZSA-N 0 0 432.886 5.802 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000100817224 556677115 /nfs/dbraw/zinc/67/71/15/556677115.db2.gz PDCRVAJXJSCDSC-OAQYLSRUSA-N 0 0 449.341 6.317 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1-c1ccc2c(c1)NC(=O)CO2 ZINC000011967585 556677408 /nfs/dbraw/zinc/67/74/08/556677408.db2.gz ZUTOYTNIZMWVBF-UHFFFAOYSA-N 0 0 434.304 5.009 50 0 IKAARN Fc1ccccc1[C@@H]1c2cccn2CCN1C(=S)Nc1ccc(Br)cc1 ZINC000013524476 556678184 /nfs/dbraw/zinc/67/81/84/556678184.db2.gz FLYHLXQMCFIHLI-LJQANCHMSA-N 0 0 430.346 5.192 50 0 IKAARN COc1ccc2c(c1OC)[C@@H](Cc1ccccc1)N1CCc3cc4c(cc3C1=C2)OCO4 ZINC000000625696 556679811 /nfs/dbraw/zinc/67/98/11/556679811.db2.gz NCGZRLGSEHVTTI-JOCHJYFZSA-N 0 0 427.500 5.086 50 0 IKAARN COc1ccc2[nH]c(S[C@H](C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)nc2c1 ZINC000017989069 556681131 /nfs/dbraw/zinc/68/11/31/556681131.db2.gz XGDCHCXXOCVUGL-QFIPXVFZSA-N 0 0 431.517 5.246 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000033326394 556681964 /nfs/dbraw/zinc/68/19/64/556681964.db2.gz PZZIPHIPOXWKAZ-UHFFFAOYSA-N 0 0 430.529 6.004 50 0 IKAARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000000680477 556682180 /nfs/dbraw/zinc/68/21/80/556682180.db2.gz NZIXQECPBYQYDO-PXLXIMEGSA-N 0 0 444.506 5.419 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3n2)cc1C ZINC000018044768 556682289 /nfs/dbraw/zinc/68/22/89/556682289.db2.gz JPSBVBPWQQLACR-OKILXGFUSA-N 0 0 430.474 5.150 50 0 IKAARN CCCCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OCC)cc3)o2)cc1OC ZINC000013525105 556683595 /nfs/dbraw/zinc/68/35/95/556683595.db2.gz YYWXYCVCUMITGL-UHFFFAOYSA-N 0 0 439.512 5.355 50 0 IKAARN CCN(CC)c1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)cc1 ZINC000018125438 556684453 /nfs/dbraw/zinc/68/44/53/556684453.db2.gz VOFULSJWBKORRZ-GYHWCHFESA-N 0 0 425.623 6.224 50 0 IKAARN CCCn1c(CCc2ccccc2NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000033019743 556684582 /nfs/dbraw/zinc/68/45/82/556684582.db2.gz JOAQZEVOOUNWFV-UHFFFAOYSA-N 0 0 443.547 5.501 50 0 IKAARN CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1cccs1 ZINC000018136748 556684745 /nfs/dbraw/zinc/68/47/45/556684745.db2.gz AVGWYYLVIWTKAH-UHFFFAOYSA-N 0 0 430.558 5.686 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Nc1ccc(C)c(F)c1 ZINC000033019939 556684828 /nfs/dbraw/zinc/68/48/28/556684828.db2.gz XDEXZVDAWOJPLZ-UHFFFAOYSA-N 0 0 436.516 5.238 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033020145 556684847 /nfs/dbraw/zinc/68/48/47/556684847.db2.gz GTFHNJQUGVDWGU-UHFFFAOYSA-N 0 0 437.908 5.220 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1OCC ZINC000033019880 556684894 /nfs/dbraw/zinc/68/48/94/556684894.db2.gz QCRBQFVOROBZAM-UHFFFAOYSA-N 0 0 429.520 5.398 50 0 IKAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000033020564 556685329 /nfs/dbraw/zinc/68/53/29/556685329.db2.gz GFRCIRHKALWOMX-UHFFFAOYSA-N 0 0 434.337 5.373 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@@H]3N2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000018169220 556685552 /nfs/dbraw/zinc/68/55/52/556685552.db2.gz ASRFVHXSSDGGPS-SJORKVTESA-N 0 0 433.343 5.027 50 0 IKAARN COc1ccc(-c2nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n[nH]2)cc1 ZINC000018169273 556685612 /nfs/dbraw/zinc/68/56/12/556685612.db2.gz XBZVVAAFUTUJBF-UHFFFAOYSA-N 0 0 428.602 5.066 50 0 IKAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1csc(Br)c1 ZINC000071858403 556685788 /nfs/dbraw/zinc/68/57/88/556685788.db2.gz LMKZVEOJOUBUDY-YHYXMXQVSA-N 0 0 427.245 5.184 50 0 IKAARN O=C(CCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1 ZINC000045260367 556685826 /nfs/dbraw/zinc/68/58/26/556685826.db2.gz SJOLTIOPWDLDEB-UHFFFAOYSA-N 0 0 439.563 5.986 50 0 in-vitro IKAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1OC ZINC000071861309 556686317 /nfs/dbraw/zinc/68/63/17/556686317.db2.gz AZWBLIQFMCKBNI-UHFFFAOYSA-N 0 0 427.850 5.571 50 0 IKAARN CCOc1ccc2oc(C(=O)NC[C@H](C)c3nc4ccccc4n3C(F)F)c(C)c2c1 ZINC000010637841 556686351 /nfs/dbraw/zinc/68/63/51/556686351.db2.gz DUVDBPCNIYUPGU-ZDUSSCGKSA-N 0 0 427.451 5.418 50 0 IKAARN CCc1ccc(N(C(C)=O)c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)cc1 ZINC000010632853 556686398 /nfs/dbraw/zinc/68/63/98/556686398.db2.gz LYNPUMJYUHLFSG-UHFFFAOYSA-N 0 0 433.533 5.157 50 0 IKAARN COc1cccc(-c2noc(-c3ccc(CSCc4ccccc4F)o3)n2)c1OC ZINC000033021871 556686601 /nfs/dbraw/zinc/68/66/01/556686601.db2.gz DLQMAOPYRHHUJF-UHFFFAOYSA-N 0 0 426.469 5.586 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(CSCc4ccccc4F)o3)n2)cc1OC ZINC000033021861 556686627 /nfs/dbraw/zinc/68/66/27/556686627.db2.gz HLQHRBJABQYNFM-UHFFFAOYSA-N 0 0 426.469 5.586 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)cc1C ZINC000033022092 556686804 /nfs/dbraw/zinc/68/68/04/556686804.db2.gz NKRKVCDRHJMBNY-UHFFFAOYSA-N 0 0 442.466 6.122 50 0 IKAARN CCc1ccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)cc1 ZINC000033021992 556687085 /nfs/dbraw/zinc/68/70/85/556687085.db2.gz XSAJIMVBHORJIR-UHFFFAOYSA-N 0 0 442.466 6.067 50 0 IKAARN COc1ccc(-c2noc(CSc3ccc(-c4ccc(Cl)cc4)nn3)n2)cc1OC ZINC000033021961 556687107 /nfs/dbraw/zinc/68/71/07/556687107.db2.gz ROJDSPLNTYCCKO-UHFFFAOYSA-N 0 0 440.912 5.157 50 0 IKAARN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)c2ncccc12 ZINC000072313058 556688106 /nfs/dbraw/zinc/68/81/06/556688106.db2.gz ARIJWHXKFDLHEM-RUZDIDTESA-N 0 0 431.561 5.047 50 0 IKAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)NCc1ccccc1 ZINC000018254350 556688396 /nfs/dbraw/zinc/68/83/96/556688396.db2.gz UMCXEIORUGSZSL-UHFFFAOYSA-N 0 0 434.948 5.257 50 0 IKAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002290859 556688797 /nfs/dbraw/zinc/68/87/97/556688797.db2.gz ZJCURQBYRDEQRQ-UHFFFAOYSA-N 0 0 439.563 5.030 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000046006098 556690059 /nfs/dbraw/zinc/69/00/59/556690059.db2.gz WBBMWQXNPVISDG-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2C)c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000046006071 556690069 /nfs/dbraw/zinc/69/00/69/556690069.db2.gz PPTBSECSRYEKMI-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000046006473 556690410 /nfs/dbraw/zinc/69/04/10/556690410.db2.gz KZKOGFPYKYBMCP-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000046006395 556690429 /nfs/dbraw/zinc/69/04/29/556690429.db2.gz MNADLJIXRHCAGG-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000046006452 556690433 /nfs/dbraw/zinc/69/04/33/556690433.db2.gz DTDCCPDKBVGZFZ-UHFFFAOYSA-N 0 0 446.595 5.294 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(C)c(F)c1 ZINC000046006443 556690462 /nfs/dbraw/zinc/69/04/62/556690462.db2.gz KFFIGIIWXBCFMH-UHFFFAOYSA-N 0 0 446.526 5.373 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000046006589 556690579 /nfs/dbraw/zinc/69/05/79/556690579.db2.gz PYUFWRGPYOIXGR-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000046006613 556690590 /nfs/dbraw/zinc/69/05/90/556690590.db2.gz QJIGJGSPCZQROE-UHFFFAOYSA-N 0 0 442.563 5.741 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1cc(F)ccc1C ZINC000046006553 556690636 /nfs/dbraw/zinc/69/06/36/556690636.db2.gz OXGLCQJCPJMTLN-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000046006775 556690954 /nfs/dbraw/zinc/69/09/54/556690954.db2.gz QHANHGQJWUCMCV-UHFFFAOYSA-N 0 0 446.526 5.373 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c(Cl)c1 ZINC000046009363 556690959 /nfs/dbraw/zinc/69/09/59/556690959.db2.gz FSQMGHUIRCEDOG-UHFFFAOYSA-N 0 0 436.899 5.275 50 0 IKAARN CCc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1C ZINC000046023893 556691180 /nfs/dbraw/zinc/69/11/80/556691180.db2.gz HIGYGYABJGZDIQ-UHFFFAOYSA-N 0 0 441.579 5.449 50 0 IKAARN CCCCN(CC)S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)sc1C ZINC000046141326 556692782 /nfs/dbraw/zinc/69/27/82/556692782.db2.gz YGNLYMSHEKHMJJ-UHFFFAOYSA-N 0 0 439.990 5.238 50 0 IKAARN c1ccc2c(c1)C1c3ccccc3C2c2c1ccc1c2C2c3ccccc3C1c1ccccc12 ZINC000071782683 556694205 /nfs/dbraw/zinc/69/42/05/556694205.db2.gz HVALBGPOYRPEOM-UHFFFAOYSA-N 0 0 430.550 7.661 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)c1 ZINC000033025116 556698501 /nfs/dbraw/zinc/69/85/01/556698501.db2.gz IRXBWWREWMHMBU-LJQANCHMSA-N 0 0 438.531 5.695 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025159 556698510 /nfs/dbraw/zinc/69/85/10/556698510.db2.gz TYPCRJPSJMEVIC-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1OC ZINC000033025340 556699309 /nfs/dbraw/zinc/69/93/09/556699309.db2.gz SYYPCRMKOYOFKT-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)N[C@@H](C)CCc4ccccc4)c3)n2)cc1 ZINC000033025288 556699625 /nfs/dbraw/zinc/69/96/25/556699625.db2.gz VAJSJXZHWBTAIO-NRFANRHFSA-N 0 0 436.559 5.947 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1)c1ccco1 ZINC000000834906 556700603 /nfs/dbraw/zinc/70/06/03/556700603.db2.gz QGDQATSKOIGONJ-UHFFFAOYSA-N 0 0 435.277 5.700 50 0 IKAARN C[C@H](c1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccc(Cl)cc1)N(C)C ZINC000024297319 556700677 /nfs/dbraw/zinc/70/06/77/556700677.db2.gz YIFDNPHTOCPVSO-OAHLLOKOSA-N 0 0 439.972 5.491 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1Cl ZINC000033025407 556700767 /nfs/dbraw/zinc/70/07/67/556700767.db2.gz ONMFGHAEPNNIPB-UHFFFAOYSA-N 0 0 430.895 5.802 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1F ZINC000033026618 556703227 /nfs/dbraw/zinc/70/32/27/556703227.db2.gz UQNVGQLISGISOR-UHFFFAOYSA-N 0 0 434.496 5.078 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033026455 556703495 /nfs/dbraw/zinc/70/34/95/556703495.db2.gz WDVUQISUOSVESV-UHFFFAOYSA-N 0 0 444.560 5.502 50 0 IKAARN CCCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026828 556703727 /nfs/dbraw/zinc/70/37/27/556703727.db2.gz GVGUAQFBWGCIJE-UHFFFAOYSA-N 0 0 441.466 5.419 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@H]1c1ccccc1C ZINC000072314692 556704446 /nfs/dbraw/zinc/70/44/46/556704446.db2.gz SQJAERUNFYXCJQ-VWLOTQADSA-N 0 0 449.554 5.900 50 0 IKAARN COC(=O)c1sc(-c2ccc(C)cc2)c2c1NC(=O)C2(c1ccccc1)c1ccccc1 ZINC000521398879 556710988 /nfs/dbraw/zinc/71/09/88/556710988.db2.gz WAJOKRLJFQXVEL-UHFFFAOYSA-N 0 0 439.536 5.797 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013694973 556711954 /nfs/dbraw/zinc/71/19/54/556711954.db2.gz WGINXOXUHJNWCD-UHFFFAOYSA-N 0 0 434.561 5.266 50 0 IKAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccc(C)cc4)c3)C2)cc1 ZINC000033034825 556716965 /nfs/dbraw/zinc/71/69/65/556716965.db2.gz LHZYMCVDHNIDIQ-MHZLTWQESA-N 0 0 440.587 5.507 50 0 IKAARN Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC4=CCCCC4)c3)C2)cc1 ZINC000033034956 556717038 /nfs/dbraw/zinc/71/70/38/556717038.db2.gz LLGJVXKCDSCSFV-AREMUKBSSA-N 0 0 430.592 5.635 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccc(C)o4)c3)C2)cc1 ZINC000033035599 556718040 /nfs/dbraw/zinc/71/80/40/556718040.db2.gz ATOCHODKKZIISQ-HSZRJFAPSA-N 0 0 445.563 5.492 50 0 IKAARN Cc1ccccc1CNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035849 556718653 /nfs/dbraw/zinc/71/86/53/556718653.db2.gz YPCLXNWOWHEKDF-DEOSSOPVSA-N 0 0 427.548 5.337 50 0 IKAARN Cc1ccc(NC(=S)Nc2nn(Cc3ccccc3Cl)cc2Cl)cc1Cl ZINC000013330767 556719061 /nfs/dbraw/zinc/71/90/61/556719061.db2.gz RKOQOQHLJUZXCS-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN Cc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c2cccc(-c3ccccc3)c2n1 ZINC000033036665 556719619 /nfs/dbraw/zinc/71/96/19/556719619.db2.gz FYTSSRBDPPPJMA-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN O=C(c1cc(Cl)sc1Cl)N(C[C@@H]1CCCO1)c1nc2c(cc(F)cc2F)s1 ZINC000011139706 556719997 /nfs/dbraw/zinc/71/99/97/556719997.db2.gz HLFNSGCEZBATAD-VIFPVBQESA-N 0 0 449.331 5.769 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1ccc(-n2nc(C)c(-c3ccccc3)c2NC(C)=O)cc1 ZINC000033037028 556720718 /nfs/dbraw/zinc/72/07/18/556720718.db2.gz YDSWLOSYZMTZKX-JOCHJYFZSA-N 0 0 430.552 5.211 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000033037024 556720801 /nfs/dbraw/zinc/72/08/01/556720801.db2.gz WGGXIWAGKTYIKQ-UHFFFAOYSA-N 0 0 438.531 5.675 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccc(C)cc2)cc1 ZINC000033037043 556721280 /nfs/dbraw/zinc/72/12/80/556721280.db2.gz HDCOGDIUSWTONX-UHFFFAOYSA-N 0 0 438.531 5.045 50 0 IKAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)NC2CCCC2)cc1 ZINC000033037249 556722077 /nfs/dbraw/zinc/72/20/77/556722077.db2.gz OFHQDCDIMOYXMZ-UHFFFAOYSA-N 0 0 436.943 5.132 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000033037147 556722176 /nfs/dbraw/zinc/72/21/76/556722176.db2.gz LVOOYKOSGPALDU-UHFFFAOYSA-N 0 0 439.519 5.070 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 ZINC000005180330 556722353 /nfs/dbraw/zinc/72/23/53/556722353.db2.gz LDQGJZOUJXXAOB-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN O=C(/C=C\c1ccccc1)N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000033909665 556723526 /nfs/dbraw/zinc/72/35/26/556723526.db2.gz QDQCIPKXNJWKEF-CXOKCQFOSA-N 0 0 438.569 5.931 50 0 IKAARN CCCCc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(C)c(C)c2)cc1 ZINC000005198332 556723585 /nfs/dbraw/zinc/72/35/85/556723585.db2.gz AFAZMWPYELQXDC-UHFFFAOYSA-N 0 0 425.532 5.407 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000033038163 556724288 /nfs/dbraw/zinc/72/42/88/556724288.db2.gz QCLGUPJPPUSWCU-UHFFFAOYSA-N 0 0 426.520 5.337 50 0 IKAARN CCOc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038191 556724318 /nfs/dbraw/zinc/72/43/18/556724318.db2.gz LKWSOKSOPCLIGI-UHFFFAOYSA-N 0 0 442.519 5.119 50 0 IKAARN Cc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc43)CC2)c1 ZINC000072328390 556725479 /nfs/dbraw/zinc/72/54/79/556725479.db2.gz NRCHPKVGOJDWOX-UHFFFAOYSA-N 0 0 448.998 5.149 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)c(Cl)c4)nccn3n2)cc1C ZINC000072328549 556726028 /nfs/dbraw/zinc/72/60/28/556726028.db2.gz XGRLBCDMYPUHLU-UHFFFAOYSA-N 0 0 440.931 5.536 50 0 IKAARN Cc1cc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc2c(C)c1 ZINC000011142405 556728005 /nfs/dbraw/zinc/72/80/05/556728005.db2.gz COUCHMPQVPDKFN-GFCCVEGCSA-N 0 0 441.405 6.107 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000013775030 556730748 /nfs/dbraw/zinc/73/07/48/556730748.db2.gz XYUDXRXUPNUPII-HYBUGGRVSA-N 0 0 444.015 6.471 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(Br)cnc1Cl ZINC000060358562 556732056 /nfs/dbraw/zinc/73/20/56/556732056.db2.gz KQRKVHUQINAXTD-UHFFFAOYSA-N 0 0 435.155 5.588 50 0 IKAARN COc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C\c3ccc(C)cc3)c3ccccc32)cc1 ZINC000033924692 556732816 /nfs/dbraw/zinc/73/28/16/556732816.db2.gz SDNFSTWELAKVMF-SYWJLKIRSA-N 0 0 425.572 6.538 50 0 IKAARN COc1ccc(/C=C\C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000033926931 556733473 /nfs/dbraw/zinc/73/34/73/556733473.db2.gz HXERKKNQAPBTKP-PQMHYQBVSA-N 0 0 449.304 5.918 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)/C=C\c1ccc(C)cc1 ZINC000033926851 556733538 /nfs/dbraw/zinc/73/35/38/556733538.db2.gz CHBXJRHSOUFLBO-XFXZXTDPSA-N 0 0 439.627 6.818 50 0 IKAARN Cc1ccc(C)c(N2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)c1 ZINC000055089623 556734340 /nfs/dbraw/zinc/73/43/40/556734340.db2.gz GCULGFKUXVHPGE-UHFFFAOYSA-N 0 0 438.575 5.189 50 0 IKAARN CCOc1ccc(-c2nc(CN(Cc3scnc3C)Cc3ccccc3)c(C)o2)cc1 ZINC000055119667 556735268 /nfs/dbraw/zinc/73/52/68/556735268.db2.gz FBGWQFZSOIIHKI-UHFFFAOYSA-N 0 0 433.577 6.016 50 0 IKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)cc(Cl)c1OC ZINC000019314591 556735664 /nfs/dbraw/zinc/73/56/64/556735664.db2.gz XOPVYAKZUFVSAS-SFHVURJKSA-N 0 0 438.351 6.009 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000033042852 556735878 /nfs/dbraw/zinc/73/58/78/556735878.db2.gz WIPACVGYIBIIHW-IBGZPJMESA-N 0 0 425.985 6.570 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000033042775 556735903 /nfs/dbraw/zinc/73/59/03/556735903.db2.gz PBAUYFDUDLOZPO-QFIPXVFZSA-N 0 0 440.012 6.816 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(Cl)ccc1C)CCCC3 ZINC000033042874 556735914 /nfs/dbraw/zinc/73/59/14/556735914.db2.gz XJFHDAXVRCLWHL-FQEVSTJZSA-N 0 0 440.012 6.878 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(F)cc1)CCCC3 ZINC000033042847 556735985 /nfs/dbraw/zinc/73/59/85/556735985.db2.gz BMHHQPHWRFHQMY-HSZRJFAPSA-N 0 0 437.584 5.979 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1F)CCCC3 ZINC000033042923 556736019 /nfs/dbraw/zinc/73/60/19/556736019.db2.gz ZTDQLPWYWRPKNE-IBGZPJMESA-N 0 0 427.520 6.195 50 0 IKAARN COc1cccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)c1 ZINC000033042838 556736037 /nfs/dbraw/zinc/73/60/37/556736037.db2.gz WXLUXQUTORVBRP-DEOSSOPVSA-N 0 0 449.620 5.849 50 0 IKAARN CCn1c2ccccc2c2cc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)ccc21 ZINC000019320289 556736283 /nfs/dbraw/zinc/73/62/83/556736283.db2.gz GZOMGVPCDWDCNJ-UHFFFAOYSA-N 0 0 445.610 6.831 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1C ZINC000078820665 556736444 /nfs/dbraw/zinc/73/64/44/556736444.db2.gz PONBULMXDJVGQE-GOSISDBHSA-N 0 0 444.457 5.220 50 0 IKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1 ZINC000019325914 556736514 /nfs/dbraw/zinc/73/65/14/556736514.db2.gz ZGEGNGSWVUOKNV-UHFFFAOYSA-N 0 0 432.564 5.119 50 0 IKAARN c1ccc(COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)cc1 ZINC000019329533 556736589 /nfs/dbraw/zinc/73/65/89/556736589.db2.gz LZTISNFRXHXPBF-UHFFFAOYSA-N 0 0 434.583 6.282 50 0 IKAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(-c4nc5c(cccc5Cl)[nH]4)cc3)cc2)no1 ZINC000078796671 556736572 /nfs/dbraw/zinc/73/65/72/556736572.db2.gz NOGAMUVZVGOCFO-UHFFFAOYSA-N 0 0 429.867 5.494 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033042980 556737614 /nfs/dbraw/zinc/73/76/14/556737614.db2.gz KBKNEIIUUDECNB-AWEZNQCLSA-N 0 0 441.984 6.188 50 0 IKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1C(F)(F)F)CCCC3 ZINC000033043004 556738063 /nfs/dbraw/zinc/73/80/63/556738063.db2.gz OILDLUPXVOCKQU-CQSZACIVSA-N 0 0 445.510 6.545 50 0 IKAARN COCCNC(=O)c1cccc(Nc2nc3cc(Cl)ccc3c(-c3ccccc3)n2)c1 ZINC000079060690 556738135 /nfs/dbraw/zinc/73/81/35/556738135.db2.gz UBDNHXAGFPYWTF-UHFFFAOYSA-N 0 0 432.911 5.070 50 0 IKAARN CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1 ZINC000000888726 556739399 /nfs/dbraw/zinc/73/93/99/556739399.db2.gz DHKIZPIDZINAAO-UHFFFAOYSA-N 0 0 436.562 5.970 50 0 IKAARN O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(c2ccccc2Cl)CCOCC1 ZINC000170622880 556740757 /nfs/dbraw/zinc/74/07/57/556740757.db2.gz HTGUWGUTNZJXAC-UHFFFAOYSA-N 0 0 434.150 5.492 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1[C@@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1 ZINC000055442321 556741069 /nfs/dbraw/zinc/74/10/69/556741069.db2.gz DMEMYLLRKCXLBX-RUZDIDTESA-N 0 0 425.580 5.679 50 0 IKAARN COc1cc2c(cc1CN1CCN(c3cc(C)ccc3C)CC1)oc(C)c2-c1ccccc1 ZINC000055447588 556741616 /nfs/dbraw/zinc/74/16/16/556741616.db2.gz ALXMQQRDKNICHE-UHFFFAOYSA-N 0 0 440.587 6.356 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000055545163 556741953 /nfs/dbraw/zinc/74/19/53/556741953.db2.gz SGFAOKJALQCROS-UHFFFAOYSA-N 0 0 445.582 5.698 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc4c(c3)NC(=O)CO4)nc3c2COc2ccc(C)cc2-3)cc1 ZINC000013828432 556744726 /nfs/dbraw/zinc/74/47/26/556744726.db2.gz JSKQROMUYZPMEE-UHFFFAOYSA-N 0 0 434.495 5.923 50 0 IKAARN O=c1c2cc(Cl)ccc2occ1-c1cc(-c2ccccc2)nc2c1COc1ccccc1-2 ZINC000013828355 556744744 /nfs/dbraw/zinc/74/47/44/556744744.db2.gz IOLQPAJKABVQDT-UHFFFAOYSA-N 0 0 437.882 6.735 50 0 IKAARN CCCC[C@H](CC)Cn1c2cc(Br)ccc2c2ccc(Br)cc21 ZINC000038845284 556745193 /nfs/dbraw/zinc/74/51/93/556745193.db2.gz OLOMDFPWMJQODN-AWEZNQCLSA-N 0 0 437.219 7.536 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000101510091 556745468 /nfs/dbraw/zinc/74/54/68/556745468.db2.gz POSPTOJRPFMJEK-GMAHTHKFSA-N 0 0 443.761 7.198 50 0 IKAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000033048885 556745515 /nfs/dbraw/zinc/74/55/15/556745515.db2.gz JGKSQTCNTOVCEC-UHFFFAOYSA-N 0 0 435.886 5.112 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000005231502 556746309 /nfs/dbraw/zinc/74/63/09/556746309.db2.gz KWCZYIRSYIUCSS-UHFFFAOYSA-N 0 0 428.577 5.083 50 0 IKAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1nc2c(s1)C(=O)CCC2 ZINC000060362198 556747223 /nfs/dbraw/zinc/74/72/23/556747223.db2.gz LTSXDFXFOOHSEQ-UHFFFAOYSA-N 0 0 433.508 5.521 50 0 IKAARN COc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000057511047 556747878 /nfs/dbraw/zinc/74/78/78/556747878.db2.gz ZCGTWDGWTPKCHJ-UHFFFAOYSA-N 0 0 440.528 5.289 50 0 IKAARN Cc1c(C(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c2ccccc2n1C ZINC000019371924 556748601 /nfs/dbraw/zinc/74/86/01/556748601.db2.gz QIALPFNRTLNBOX-UHFFFAOYSA-N 0 0 435.571 5.057 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c1 ZINC000072333406 556749848 /nfs/dbraw/zinc/74/98/48/556749848.db2.gz ROULNNMYOLVVNK-UHFFFAOYSA-N 0 0 444.560 5.074 50 0 IKAARN c1ccc(C(c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c2ccccc2)cc1 ZINC000072333560 556749859 /nfs/dbraw/zinc/74/98/59/556749859.db2.gz ARPJFPYAJQLFAI-UHFFFAOYSA-N 0 0 426.589 5.834 50 0 IKAARN CC(c1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1)(c1ccccc1)c1ccccc1 ZINC000072333561 556749867 /nfs/dbraw/zinc/74/98/67/556749867.db2.gz WVXXVVWNMNHLKT-UHFFFAOYSA-N 0 0 440.616 6.008 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)c2ccc(Br)cc2)cc1 ZINC000072333666 556749907 /nfs/dbraw/zinc/74/99/07/556749907.db2.gz UJBQHSAHUNFKMK-UPVQGACJSA-N 0 0 433.349 6.174 50 0 IKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000057987227 556750497 /nfs/dbraw/zinc/75/04/97/556750497.db2.gz FOMCJCKBNXPKDM-ZJSXRUAMSA-N 0 0 446.620 5.244 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 ZINC000072332615 556750925 /nfs/dbraw/zinc/75/09/25/556750925.db2.gz OOEJEUARCWJDAD-JTHBVZDNSA-N 0 0 443.305 6.383 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)cc1OC ZINC000057994948 556751376 /nfs/dbraw/zinc/75/13/76/556751376.db2.gz JYJULOWCDVMHGT-UHFFFAOYSA-N 0 0 437.315 5.052 50 0 IKAARN COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)CCc1c(C)noc1C ZINC000057994801 556751448 /nfs/dbraw/zinc/75/14/48/556751448.db2.gz HPTUAQKORGATKE-UHFFFAOYSA-N 0 0 446.425 5.335 50 0 IKAARN Cc1ccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc2c1C ZINC000011155876 556752338 /nfs/dbraw/zinc/75/23/38/556752338.db2.gz XDCONSAKHFZISV-LBPRGKRZSA-N 0 0 441.405 6.107 50 0 IKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000058014225 556753518 /nfs/dbraw/zinc/75/35/18/556753518.db2.gz NQGKMZHVVNRZLD-UHFFFAOYSA-N 0 0 437.446 5.149 50 0 IKAARN CCCCN(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000058050664 556755386 /nfs/dbraw/zinc/75/53/86/556755386.db2.gz JPQOLZZICKSABJ-UHFFFAOYSA-N 0 0 435.490 5.031 50 0 IKAARN O=C1c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000148922614 556756738 /nfs/dbraw/zinc/75/67/38/556756738.db2.gz XIHNGQBYDVKORK-RSJRRIQVSA-N 0 0 432.519 5.156 50 0 IKAARN CC(C)(C)c1cc(C(=O)OCC(=O)c2ccc(Br)cc2)cc(C(C)(C)C)c1 ZINC000001839103 556757919 /nfs/dbraw/zinc/75/79/19/556757919.db2.gz TWVCQHYLUXCURX-UHFFFAOYSA-N 0 0 431.370 6.084 50 0 IKAARN O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000058109441 556758665 /nfs/dbraw/zinc/75/86/65/556758665.db2.gz RGUAOIHGVHZBCE-QFIPXVFZSA-N 0 0 428.561 5.037 50 0 IKAARN Cc1cc(NC(=O)Cc2noc3ccccc23)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000058113145 556759181 /nfs/dbraw/zinc/75/91/81/556759181.db2.gz TZRPRWBPZQPSJK-UHFFFAOYSA-N 0 0 434.805 5.175 50 0 IKAARN CCCNC(=O)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccc(F)cc1)n3CCCC2 ZINC000002367361 556760711 /nfs/dbraw/zinc/76/07/11/556760711.db2.gz OHVOKNBKCDXWNN-UHFFFAOYSA-N 0 0 445.538 5.699 50 0 IKAARN CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002352642 556761210 /nfs/dbraw/zinc/76/12/10/556761210.db2.gz SOJKJWFQCFBEPQ-JRPXNJEYSA-N 0 0 441.336 6.133 50 0 IKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccccc2F)cc1 ZINC000002434914 556761387 /nfs/dbraw/zinc/76/13/87/556761387.db2.gz XLMBNWJPUUZCQU-UHFFFAOYSA-N 0 0 427.479 5.216 50 0 IKAARN COc1cc2nc(C3CCCCC3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC ZINC000001010446 556761772 /nfs/dbraw/zinc/76/17/72/556761772.db2.gz FWFDXJASFFLJQI-UHFFFAOYSA-N 0 0 432.568 5.021 50 0 IKAARN Cn1cnnc1Sc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000058156734 556762763 /nfs/dbraw/zinc/76/27/63/556762763.db2.gz HVMGNPATAUIGPD-UHFFFAOYSA-N 0 0 443.557 5.495 50 0 IKAARN Cc1cc(C)cc(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000058159036 556763809 /nfs/dbraw/zinc/76/38/09/556763809.db2.gz XRJVIADCCMSTHL-UHFFFAOYSA-N 0 0 446.978 6.583 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)c1 ZINC000001094768 556764032 /nfs/dbraw/zinc/76/40/32/556764032.db2.gz FQWIBGJADLYKMP-UHFFFAOYSA-N 0 0 442.544 5.274 50 0 IKAARN Fc1cccc(-c2noc([C@@H]3CCCN(c4ncc(C(F)(F)F)cc4Cl)C3)n2)c1 ZINC000058159793 556764075 /nfs/dbraw/zinc/76/40/75/556764075.db2.gz WRAJREWLUBTJHX-GFCCVEGCSA-N 0 0 426.801 5.327 50 0 IKAARN O=c1nc(CN2CCC[C@H]2c2cccs2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000058160620 556764587 /nfs/dbraw/zinc/76/45/87/556764587.db2.gz IQULCRXJCQEOFC-INIZCTEOSA-N 0 0 427.982 5.704 50 0 IKAARN S=c1oc([C@H]2COc3ccccc3O2)nn1CN(Cc1ccccc1)Cc1ccccc1 ZINC000058164438 556766180 /nfs/dbraw/zinc/76/61/80/556766180.db2.gz OOJDUGLMCNMSSU-HSZRJFAPSA-N 0 0 445.544 5.378 50 0 IKAARN Cc1cc(Br)cc2sc(NC(=O)C3(c4ccccc4)CCOCC3)nc21 ZINC000061992276 556766941 /nfs/dbraw/zinc/76/69/41/556766941.db2.gz VMHUYDKDPXAXKY-UHFFFAOYSA-N 0 0 431.355 5.054 50 0 IKAARN O=C(NCc1cc(-c2ccccc2)no1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000058167287 556766959 /nfs/dbraw/zinc/76/69/59/556766959.db2.gz BYQGKUMVFIFVEX-UHFFFAOYSA-N 0 0 427.464 5.307 50 0 IKAARN COc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000001175445 556767756 /nfs/dbraw/zinc/76/77/56/556767756.db2.gz QGIYEQYJTDMZOH-LICLKQGHSA-N 0 0 425.488 5.208 50 0 IKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000058179096 556769932 /nfs/dbraw/zinc/76/99/32/556769932.db2.gz BWNRLEKUYSRVRO-UHFFFAOYSA-N 0 0 445.544 5.621 50 0 IKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000058196801 556770540 /nfs/dbraw/zinc/77/05/40/556770540.db2.gz GPWZZBRAZNAXPE-XMMPIXPASA-N 0 0 439.544 5.187 50 0 IKAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1[nH]c2ccccc2c1Br ZINC000058202596 556771410 /nfs/dbraw/zinc/77/14/10/556771410.db2.gz JWCSHTDROBPQSQ-UHFFFAOYSA-N 0 0 438.325 5.290 50 0 IKAARN CCC[C@](C)(NC(=O)c1oc2ccccc2c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058203297 556771756 /nfs/dbraw/zinc/77/17/56/556771756.db2.gz GCFJANZPPKHBLS-SANMLTNESA-N 0 0 433.552 5.269 50 0 IKAARN C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(OCc2ccccn2)c1 ZINC000058218291 556772846 /nfs/dbraw/zinc/77/28/46/556772846.db2.gz CPRIZLIEZXTLLW-IBGZPJMESA-N 0 0 441.556 5.698 50 0 IKAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC=C(c3ccccc3)CC2)cc1Cl ZINC000058219023 556773293 /nfs/dbraw/zinc/77/32/93/556773293.db2.gz ODRMWOHSTVNXOY-RUZDIDTESA-N 0 0 432.951 5.818 50 0 IKAARN CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000058223048 556773570 /nfs/dbraw/zinc/77/35/70/556773570.db2.gz QACAVOOHRXGUSO-UHFFFAOYSA-N 0 0 449.507 5.146 50 0 IKAARN Cc1nn2c(nc(CN(Cc3c(F)cccc3Cl)[C@@H]3CCC[C@H](C)[C@@H]3C)cc2=O)s1 ZINC000058248481 556775842 /nfs/dbraw/zinc/77/58/42/556775842.db2.gz NBVDQWMITURYPV-PJSUUKDQSA-N 0 0 448.995 5.079 50 0 IKAARN COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000058265159 556776267 /nfs/dbraw/zinc/77/62/67/556776267.db2.gz WWGKIGMCMRSVRH-UHFFFAOYSA-N 0 0 437.849 5.476 50 0 IKAARN Cc1ccccc1[C@H]1CC(c2c(C)nc3ccccc3c2-c2ccccc2)=NN1C(=O)C(C)C ZINC000058268820 556777046 /nfs/dbraw/zinc/77/70/46/556777046.db2.gz FJVYBCAVWLINKA-HHHXNRCGSA-N 0 0 447.582 6.852 50 0 IKAARN COC(=O)[C@@H]([C@H](O)c1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2)C(C)(C)C ZINC000005383910 556778308 /nfs/dbraw/zinc/77/83/08/556778308.db2.gz RQOQZQMSBXEDKQ-JWQCQUIFSA-N 0 0 436.636 6.722 50 0 IKAARN Cc1c(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cnn1-c1ccccc1C ZINC000058310481 556779854 /nfs/dbraw/zinc/77/98/54/556779854.db2.gz IHUSTPPYBLGVFY-UHFFFAOYSA-N 0 0 439.519 5.063 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000058314851 556780321 /nfs/dbraw/zinc/78/03/21/556780321.db2.gz FMBQHVCLPMJFRG-VGOFRKELSA-N 0 0 427.504 5.094 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000058314847 556780324 /nfs/dbraw/zinc/78/03/24/556780324.db2.gz FMBQHVCLPMJFRG-JTSKRJEESA-N 0 0 427.504 5.094 50 0 IKAARN COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccccc1C ZINC000058324544 556780603 /nfs/dbraw/zinc/78/06/03/556780603.db2.gz FOACHHWBIJEVHQ-AREMUKBSSA-N 0 0 449.554 5.843 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c(C)c1 ZINC000058324643 556780901 /nfs/dbraw/zinc/78/09/01/556780901.db2.gz PLBNPXVJIWAREX-RJAVSUSUSA-N 0 0 444.619 5.547 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1cc(-c2ccccc2)[nH]n1 ZINC000058326404 556780931 /nfs/dbraw/zinc/78/09/31/556780931.db2.gz PNDNSCFURNYMCE-UHFFFAOYSA-N 0 0 442.466 5.804 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1)c1ccco1 ZINC000058327721 556780935 /nfs/dbraw/zinc/78/09/35/556780935.db2.gz IAJMEQRMEVGCSL-IBGZPJMESA-N 0 0 429.303 5.816 50 0 IKAARN O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1SC1CCCC1 ZINC000058326867 556780947 /nfs/dbraw/zinc/78/09/47/556780947.db2.gz QSDQNDPRJDDYBV-UHFFFAOYSA-N 0 0 425.529 5.880 50 0 IKAARN CC(C)c1noc(-c2ccc(NC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)n1 ZINC000058342800 556781942 /nfs/dbraw/zinc/78/19/42/556781942.db2.gz MGGHIRKPHOIZBE-ZDUSSCGKSA-N 0 0 429.318 5.505 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000058356261 556782473 /nfs/dbraw/zinc/78/24/73/556782473.db2.gz RAVXMLLYBQFYJD-RUZDIDTESA-N 0 0 425.532 5.535 50 0 IKAARN CC(C)n1ncc2cc(C(=O)Nc3cc4c(cc3Sc3ccccc3)OCCO4)cnc21 ZINC000058357041 556782665 /nfs/dbraw/zinc/78/26/65/556782665.db2.gz ZDVNYISULLXAQI-UHFFFAOYSA-N 0 0 446.532 5.187 50 0 IKAARN CC1(C)Oc2ccc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2O1 ZINC000058369673 556783467 /nfs/dbraw/zinc/78/34/67/556783467.db2.gz LIGSGEXBHWUHPJ-UHFFFAOYSA-N 0 0 434.439 5.517 50 0 IKAARN Clc1ccc2oc(C3CCN(Cc4cn5cc(Br)ccc5n4)CC3)nc2c1 ZINC000058378377 556784309 /nfs/dbraw/zinc/78/43/09/556784309.db2.gz LUANJVGPMUWKDT-UHFFFAOYSA-N 0 0 445.748 5.271 50 0 IKAARN O=c1c(Cl)c(N[C@H]2CCc3c2cccc3Cl)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058413011 556786266 /nfs/dbraw/zinc/78/62/66/556786266.db2.gz YEVYRCLBNLZYMG-AWEZNQCLSA-N 0 0 441.240 5.053 50 0 IKAARN CN(C)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)c(C(F)(F)F)c1 ZINC000058407546 556786346 /nfs/dbraw/zinc/78/63/46/556786346.db2.gz VABPYFWCLCPLCG-UHFFFAOYSA-N 0 0 442.485 5.478 50 0 IKAARN COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000058420668 556787412 /nfs/dbraw/zinc/78/74/12/556787412.db2.gz WJFRNYXMRUBKQC-AREMUKBSSA-N 0 0 449.554 5.843 50 0 IKAARN COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000058420667 556787477 /nfs/dbraw/zinc/78/74/77/556787477.db2.gz WJFRNYXMRUBKQC-SANMLTNESA-N 0 0 449.554 5.843 50 0 IKAARN COc1cc(Cl)c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)cc1OC ZINC000058441114 556788940 /nfs/dbraw/zinc/78/89/40/556788940.db2.gz VIQLOYPTJMOJFQ-UHFFFAOYSA-N 0 0 441.846 5.260 50 0 IKAARN Cc1ccc(OCc2nnc(SCc3csc(COc4ccc(C)cc4)n3)o2)cc1 ZINC000058733506 556791508 /nfs/dbraw/zinc/79/15/08/556791508.db2.gz RSHOEVHIIZTOTA-UHFFFAOYSA-N 0 0 439.562 5.593 50 0 IKAARN COc1ccc(-c2nc(CN(C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1C ZINC000019535704 556793943 /nfs/dbraw/zinc/79/39/43/556793943.db2.gz AQCOFQOCPBRBRE-UHFFFAOYSA-N 0 0 430.552 5.402 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)ns1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000059120211 556794798 /nfs/dbraw/zinc/79/47/98/556794798.db2.gz OJJVFLYBFJCXLH-UHFFFAOYSA-N 0 0 449.845 5.315 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000059314481 556797463 /nfs/dbraw/zinc/79/74/63/556797463.db2.gz SKNUBNORODMFAI-UHFFFAOYSA-N 0 0 437.858 5.669 50 0 IKAARN CC(C)c1c(C(=O)Nc2ccc(F)cc2Br)cnn1-c1cccc(Cl)c1 ZINC000059304842 556797494 /nfs/dbraw/zinc/79/74/94/556797494.db2.gz IKZREQAPBCIHBY-UHFFFAOYSA-N 0 0 436.712 5.803 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000001909321 556797774 /nfs/dbraw/zinc/79/77/74/556797774.db2.gz CWNIQSXVJPZCOI-IZZDOVSWSA-N 0 0 446.355 6.551 50 0 IKAARN COc1cc([C@@H](C)NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccncc1 ZINC000059316172 556797805 /nfs/dbraw/zinc/79/78/05/556797805.db2.gz RUOZPRWFDMXNSU-OAHLLOKOSA-N 0 0 446.425 5.059 50 0 IKAARN COc1cc([C@H](C)NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccncc1 ZINC000059316170 556797825 /nfs/dbraw/zinc/79/78/25/556797825.db2.gz RUOZPRWFDMXNSU-HNNXBMFYSA-N 0 0 446.425 5.059 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000002059340 556798427 /nfs/dbraw/zinc/79/84/27/556798427.db2.gz PFGBKJPOPHDVNF-KGENOOAVSA-N 0 0 433.891 5.662 50 0 IKAARN COc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OCc1ccccc1 ZINC000002059397 556798486 /nfs/dbraw/zinc/79/84/86/556798486.db2.gz IYMOQMRDDBZOGV-LFVJCYFKSA-N 0 0 435.479 5.772 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 ZINC000033050452 556798557 /nfs/dbraw/zinc/79/85/57/556798557.db2.gz QLAQFQGGJAUZNO-UHFFFAOYSA-N 0 0 435.980 5.883 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 ZINC000059348249 556798566 /nfs/dbraw/zinc/79/85/66/556798566.db2.gz AENVFYZWHNNPEJ-HXUWFJFHSA-N 0 0 429.520 5.670 50 0 IKAARN Cc1cccc(OP(=O)(Nc2ccc(OC(C)C)cc2)Oc2cccc(C)c2C)c1C ZINC000001864368 556798763 /nfs/dbraw/zinc/79/87/63/556798763.db2.gz IKUHJYUPOAXQBB-UHFFFAOYSA-N 0 0 439.492 7.385 50 0 IKAARN O=C(NCCSc1ccc(Cl)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000059382167 556799218 /nfs/dbraw/zinc/79/92/18/556799218.db2.gz FPGADDTYOZYMIJ-UHFFFAOYSA-N 0 0 428.022 6.296 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1cccc(OC)c1)c1ccccc1 ZINC000033050429 556799460 /nfs/dbraw/zinc/79/94/60/556799460.db2.gz NLOJKDUPDBCUJL-UHFFFAOYSA-N 0 0 431.561 5.238 50 0 IKAARN Cc1cc(C)c(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccccc2)c(C)c1 ZINC000033050356 556799542 /nfs/dbraw/zinc/79/95/42/556799542.db2.gz MAGHVAXDDFJLAQ-UHFFFAOYSA-N 0 0 429.589 5.765 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000002641959 556799967 /nfs/dbraw/zinc/79/99/67/556799967.db2.gz VWJZUNAEAFPPHP-UHFFFAOYSA-N 0 0 442.953 5.700 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)c(F)c3)c3ccccc3n2)cc1 ZINC000002616283 556800032 /nfs/dbraw/zinc/80/00/32/556800032.db2.gz IGLFGWONZODSEC-UHFFFAOYSA-N 0 0 433.410 5.228 50 0 IKAARN COc1ccc2cc(-c3cc(C(=O)OCCOc4ccccc4)c4ccccc4n3)ccc2c1 ZINC000002616294 556800052 /nfs/dbraw/zinc/80/00/52/556800052.db2.gz URYRMKVRTPVEPM-UHFFFAOYSA-N 0 0 449.506 6.299 50 0 IKAARN CCCCOc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 ZINC000002592684 556800097 /nfs/dbraw/zinc/80/00/97/556800097.db2.gz FYBKJIJQEDPLLF-UHFFFAOYSA-N 0 0 425.465 7.160 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)c(C)n1C ZINC000002616306 556800250 /nfs/dbraw/zinc/80/02/50/556800250.db2.gz BDEOTBRZKQVPMO-UHFFFAOYSA-N 0 0 446.934 5.859 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1 ZINC000002617368 556800304 /nfs/dbraw/zinc/80/03/04/556800304.db2.gz LYZLZCOUDICMLX-UHFFFAOYSA-N 0 0 437.471 5.291 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1csc(-c2ccccc2)n1 ZINC000002622054 556800471 /nfs/dbraw/zinc/80/04/71/556800471.db2.gz PTVBQJLMZUJWHM-HSZRJFAPSA-N 0 0 442.540 5.415 50 0 IKAARN CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002622542 556800488 /nfs/dbraw/zinc/80/04/88/556800488.db2.gz VDKBSJNZXDCJJU-HXUWFJFHSA-N 0 0 448.419 5.572 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Nc3ccccc3C)c2c1C ZINC000002625930 556800782 /nfs/dbraw/zinc/80/07/82/556800782.db2.gz JHNDKOMDKVOEEO-UHFFFAOYSA-N 0 0 449.601 6.521 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000033050785 556801001 /nfs/dbraw/zinc/80/10/01/556801001.db2.gz KHDBAVOPCVXQQH-UHFFFAOYSA-N 0 0 425.916 5.608 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000033050624 556801006 /nfs/dbraw/zinc/80/10/06/556801006.db2.gz NHFNBPFJJJDXFX-UHFFFAOYSA-N 0 0 429.545 5.467 50 0 IKAARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc2c(cc(F)cc2F)s1 ZINC000002632852 556801310 /nfs/dbraw/zinc/80/13/10/556801310.db2.gz AWBVRMIVSGVOLN-UHFFFAOYSA-N 0 0 426.444 5.171 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000002464207 556801609 /nfs/dbraw/zinc/80/16/09/556801609.db2.gz UHJCXIQQULKWIE-LJQANCHMSA-N 0 0 448.147 6.527 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000002652776 556802460 /nfs/dbraw/zinc/80/24/60/556802460.db2.gz FJIWMJMCDPYNOX-UHFFFAOYSA-N 0 0 431.561 5.409 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 ZINC000002652100 556802520 /nfs/dbraw/zinc/80/25/20/556802520.db2.gz UUZMHHBDGMQGPO-SFHVURJKSA-N 0 0 431.536 5.804 50 0 IKAARN COc1cc(C(=O)OCC(=O)Nc2cccc3ccccc32)ccc1OCc1ccccc1 ZINC000002653565 556802541 /nfs/dbraw/zinc/80/25/41/556802541.db2.gz MSUNRKSTPPYLAL-UHFFFAOYSA-N 0 0 441.483 5.223 50 0 IKAARN CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1cccs1 ZINC000002660746 556802783 /nfs/dbraw/zinc/80/27/83/556802783.db2.gz ONEMCXAZXJFEIA-UHFFFAOYSA-N 0 0 426.567 5.061 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)s2)c1 ZINC000002655844 556802823 /nfs/dbraw/zinc/80/28/23/556802823.db2.gz KVPJGDGYTOMWHA-UHFFFAOYSA-N 0 0 439.610 5.311 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000002657155 556802827 /nfs/dbraw/zinc/80/28/27/556802827.db2.gz OJFPRHBIYXNOQW-HNNXBMFYSA-N 0 0 437.927 6.090 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 ZINC000002663062 556803134 /nfs/dbraw/zinc/80/31/34/556803134.db2.gz TYTUOELOMRTHFZ-UHFFFAOYSA-N 0 0 435.983 5.250 50 0 IKAARN CC(C)(C)c1cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc(C(C)(C)C)c1O ZINC000003011690 556803697 /nfs/dbraw/zinc/80/36/97/556803697.db2.gz NYDMRTZMNCYJTR-XQNSMLJCSA-N 0 0 427.544 6.485 50 0 IKAARN O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000003166905 556803786 /nfs/dbraw/zinc/80/37/86/556803786.db2.gz UVXZXUORCRCZOV-UHFFFAOYSA-N 0 0 442.950 5.155 50 0 IKAARN O=C(Nc1ccc(Br)cc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000003187396 556804114 /nfs/dbraw/zinc/80/41/14/556804114.db2.gz KLNCCBURIRQLPC-QNUVFLEMSA-N 0 0 447.332 5.415 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000003245380 556804538 /nfs/dbraw/zinc/80/45/38/556804538.db2.gz SDKZOJDNNQDCOU-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000003247038 556804561 /nfs/dbraw/zinc/80/45/61/556804561.db2.gz PXXBVQOQTYNKNC-MRXNPFEDSA-N 0 0 430.529 5.710 50 0 IKAARN CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003247793 556804668 /nfs/dbraw/zinc/80/46/68/556804668.db2.gz JZHZFRVHCNFDKU-IBGZPJMESA-N 0 0 445.302 5.324 50 0 IKAARN COc1cc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc(OC)c1OC ZINC000003249878 556804905 /nfs/dbraw/zinc/80/49/05/556804905.db2.gz WXWLXCGDKUCENJ-UHFFFAOYSA-N 0 0 429.472 5.285 50 0 IKAARN O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003250586 556804950 /nfs/dbraw/zinc/80/49/50/556804950.db2.gz QQZGMHRXSNPURE-UHFFFAOYSA-N 0 0 442.729 7.219 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)c(C)c3)sc2c1 ZINC000003251340 556804972 /nfs/dbraw/zinc/80/49/72/556804972.db2.gz XFCQJEAWGSIBKG-UHFFFAOYSA-N 0 0 437.384 5.497 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](OC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000003252970 556805152 /nfs/dbraw/zinc/80/51/52/556805152.db2.gz WCJPFLXMXKSFHQ-FQEVSTJZSA-N 0 0 444.270 5.259 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC ZINC000003213986 556805170 /nfs/dbraw/zinc/80/51/70/556805170.db2.gz QZFOYHBPTFNYKE-UHFFFAOYSA-N 0 0 446.528 5.755 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)cc3)c2C(=O)OC)C1 ZINC000005454009 556805381 /nfs/dbraw/zinc/80/53/81/556805381.db2.gz VEGBLIRVJZKGST-GPZRYRNASA-N 0 0 425.594 6.036 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1C ZINC000003221243 556805493 /nfs/dbraw/zinc/80/54/93/556805493.db2.gz ZAGSRPXEILYTJP-QGZVFWFLSA-N 0 0 426.611 5.128 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)/C=C/c3cccs3)cc2)cc1 ZINC000003224133 556805697 /nfs/dbraw/zinc/80/56/97/556805697.db2.gz RFEFZZZCJQBTIE-FOCLMDBBSA-N 0 0 449.572 6.423 50 0 IKAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)n1 ZINC000003222899 556805802 /nfs/dbraw/zinc/80/58/02/556805802.db2.gz YZSPHPCCMMSYIC-UHFFFAOYSA-N 0 0 446.580 5.018 50 0 IKAARN CC(C)(C)c1nc2cc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCOCC3)ccc2o1 ZINC000059984445 556805818 /nfs/dbraw/zinc/80/58/18/556805818.db2.gz SPRMFLCMAKWIJS-UHFFFAOYSA-N 0 0 446.469 5.831 50 0 IKAARN CCc1cc2c(ncnc2SCC(=O)Nc2ccccc2C(=O)c2ccccc2)s1 ZINC000003229113 556806019 /nfs/dbraw/zinc/80/60/19/556806019.db2.gz AMHOLUQDKLKXGZ-UHFFFAOYSA-N 0 0 433.558 5.216 50 0 IKAARN Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)c(C)c1 ZINC000005451112 556806323 /nfs/dbraw/zinc/80/63/23/556806323.db2.gz PBTYVFDIQCFSQK-MUUNZHRXSA-N 0 0 426.560 6.006 50 0 IKAARN O=C(c1ccc(Oc2ccccc2)cc1)N(c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000003235242 556806328 /nfs/dbraw/zinc/80/63/28/556806328.db2.gz HULIONVMXGILIB-UHFFFAOYSA-N 0 0 440.499 7.206 50 0 IKAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1ccc(C)s1 ZINC000003236249 556806537 /nfs/dbraw/zinc/80/65/37/556806537.db2.gz YIEFKDIACHFTCK-UHFFFAOYSA-N 0 0 443.546 5.175 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)COc4ccccc4C)cc3)sc2c1 ZINC000003239834 556806589 /nfs/dbraw/zinc/80/65/89/556806589.db2.gz NGENBSBHQZNHAZ-UHFFFAOYSA-N 0 0 446.528 5.141 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)sc2c1 ZINC000003240541 556806640 /nfs/dbraw/zinc/80/66/40/556806640.db2.gz SDYNKAZAPCVJMS-UHFFFAOYSA-N 0 0 446.903 6.098 50 0 IKAARN C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003291573 556806838 /nfs/dbraw/zinc/80/68/38/556806838.db2.gz FJPODYHFBDQECX-VKJYCEFSSA-N 0 0 430.234 5.178 50 0 IKAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccccc1Sc1ccccc1 ZINC000003258994 556807083 /nfs/dbraw/zinc/80/70/83/556807083.db2.gz LOZMVQUQNYGGKX-UHFFFAOYSA-N 0 0 444.556 5.824 50 0 IKAARN CCOc1cccc([C@H](C)NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 ZINC000060184169 556807036 /nfs/dbraw/zinc/80/70/36/556807036.db2.gz QMAWEPXKZGNILO-HNNXBMFYSA-N 0 0 446.473 5.299 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000060185590 556807053 /nfs/dbraw/zinc/80/70/53/556807053.db2.gz ZEQHSCVOQPJILG-UHFFFAOYSA-N 0 0 438.742 5.340 50 0 IKAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2Cl)n1 ZINC000060166532 556807091 /nfs/dbraw/zinc/80/70/91/556807091.db2.gz QYYLMYQYMSMHCC-CYBMUJFWSA-N 0 0 449.313 5.398 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000003253464 556807165 /nfs/dbraw/zinc/80/71/65/556807165.db2.gz CMQKRDLCVVZUMK-UHFFFAOYSA-N 0 0 433.888 5.402 50 0 IKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1cccc(C(F)(F)F)c1 ZINC000003261729 556807369 /nfs/dbraw/zinc/80/73/69/556807369.db2.gz HJYBATNAODZDSB-UHFFFAOYSA-N 0 0 449.428 6.269 50 0 IKAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000003260245 556807377 /nfs/dbraw/zinc/80/73/77/556807377.db2.gz IDNODWXVLMVUMC-UHFFFAOYSA-N 0 0 449.623 5.148 50 0 IKAARN Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)cc1 ZINC000003264015 556807435 /nfs/dbraw/zinc/80/74/35/556807435.db2.gz HITMFDSCISQWCA-UHFFFAOYSA-N 0 0 434.927 6.500 50 0 IKAARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 ZINC000003260314 556807461 /nfs/dbraw/zinc/80/74/61/556807461.db2.gz QZRATIYEBFJCAE-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003265539 556807531 /nfs/dbraw/zinc/80/75/31/556807531.db2.gz VUYJBNHMCQMVMH-UHFFFAOYSA-N 0 0 425.453 5.924 50 0 IKAARN COc1cccc(N(C(=O)/C=C/c2cc(OC)ccc2OC)c2nc3ccccc3s2)c1 ZINC000003269061 556807634 /nfs/dbraw/zinc/80/76/34/556807634.db2.gz JWXSMUDWQMCBGC-SDNWHVSQSA-N 0 0 446.528 5.700 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COc3ncnc4ccccc43)cc2)cc1 ZINC000003266774 556807656 /nfs/dbraw/zinc/80/76/56/556807656.db2.gz LAUFEJAYXOKHID-UHFFFAOYSA-N 0 0 441.531 6.127 50 0 IKAARN COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000003282394 556808474 /nfs/dbraw/zinc/80/84/74/556808474.db2.gz ANAAYYWISYASSG-MKMNVTDBSA-N 0 0 428.513 5.710 50 0 IKAARN O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000003287411 556808695 /nfs/dbraw/zinc/80/86/95/556808695.db2.gz TVIZKVOGMNUTQI-UHFFFAOYSA-N 0 0 431.344 5.977 50 0 IKAARN COc1cccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC ZINC000003286273 556808722 /nfs/dbraw/zinc/80/87/22/556808722.db2.gz JBPVNNBLYVIGOB-XCMFGDQWSA-N 0 0 447.487 5.080 50 0 IKAARN Cc1ccc(C(=O)Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000003328474 556808873 /nfs/dbraw/zinc/80/88/73/556808873.db2.gz SYBYIPFKEGQSPZ-UHFFFAOYSA-N 0 0 441.343 5.877 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ncnc2ccccc21 ZINC000003288322 556808961 /nfs/dbraw/zinc/80/89/61/556808961.db2.gz VPZKQCDKGYADLS-UHFFFAOYSA-N 0 0 449.557 5.266 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C1CCCCC1 ZINC000003328519 556808988 /nfs/dbraw/zinc/80/89/88/556808988.db2.gz GOCKQRCRYKRLHF-UHFFFAOYSA-N 0 0 436.383 7.189 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000003309302 556809403 /nfs/dbraw/zinc/80/94/03/556809403.db2.gz MGZBCLKLKOCGKZ-UHFFFAOYSA-N 0 0 447.959 6.736 50 0 IKAARN CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1 ZINC000003309624 556809447 /nfs/dbraw/zinc/80/94/47/556809447.db2.gz SQAORGOFPALKHU-UHFFFAOYSA-N 0 0 439.964 6.410 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000003314785 556809733 /nfs/dbraw/zinc/80/97/33/556809733.db2.gz RNUOWXOTPTZPPP-LJQANCHMSA-N 0 0 435.348 5.520 50 0 IKAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003316976 556809933 /nfs/dbraw/zinc/80/99/33/556809933.db2.gz OLNFBXUACJNHDQ-UHFFFAOYSA-N 0 0 445.902 6.123 50 0 IKAARN O=C(CCCSc1nnc(NC2CCCCC2)s1)c1ccc(Br)cc1 ZINC000003316714 556809987 /nfs/dbraw/zinc/80/99/87/556809987.db2.gz NXKYBCWTGKALSU-UHFFFAOYSA-N 0 0 440.432 5.800 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)NCCC3=CCCCC3)nnc2-c2ccccc2)cc1C ZINC000003320412 556810185 /nfs/dbraw/zinc/81/01/85/556810185.db2.gz RYTAGDTZQBNNJQ-UHFFFAOYSA-N 0 0 446.620 5.650 50 0 IKAARN COc1ccc(OC)c(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c1 ZINC000003321228 556810207 /nfs/dbraw/zinc/81/02/07/556810207.db2.gz SRRZZJOHEXXYJR-UHFFFAOYSA-N 0 0 449.528 5.123 50 0 IKAARN Cn1c2ccccc2c(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1-c1ccccc1 ZINC000003327505 556810569 /nfs/dbraw/zinc/81/05/69/556810569.db2.gz GNPMKINWNFZDBF-UHFFFAOYSA-N 0 0 445.518 6.338 50 0 IKAARN Cc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000003327945 556810707 /nfs/dbraw/zinc/81/07/07/556810707.db2.gz KTZXQFLUOUJMFL-UHFFFAOYSA-N 0 0 427.373 6.495 50 0 IKAARN COc1ccc(-n2c(SCCCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000003327606 556810762 /nfs/dbraw/zinc/81/07/62/556810762.db2.gz OYUJOKWFFXSLFB-UHFFFAOYSA-N 0 0 447.535 5.837 50 0 IKAARN Cc1csc(S[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n1 ZINC000003297460 556810906 /nfs/dbraw/zinc/81/09/06/556810906.db2.gz BVKVICPKYNBMGX-INIZCTEOSA-N 0 0 442.915 6.596 50 0 IKAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1cccc2ccccc21 ZINC000003300725 556811251 /nfs/dbraw/zinc/81/12/51/556811251.db2.gz WLLFIPJWRBAZQV-UHFFFAOYSA-N 0 0 447.494 5.488 50 0 IKAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2)cc1OC ZINC000003364676 556811983 /nfs/dbraw/zinc/81/19/83/556811983.db2.gz CRYMMQZJPVTIAK-FMIVXFBMSA-N 0 0 429.545 5.757 50 0 IKAARN CSc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000003372887 556812331 /nfs/dbraw/zinc/81/23/31/556812331.db2.gz UMGXXKSEWJFUIU-NTCAYCPXSA-N 0 0 449.576 5.087 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)cc1 ZINC000003329925 556812496 /nfs/dbraw/zinc/81/24/96/556812496.db2.gz WJRHJGDVRHVTSL-UHFFFAOYSA-N 0 0 448.636 6.397 50 0 IKAARN Cn1c2ccccc2c(C(=O)COC(=O)c2ccccc2Br)c1-c1ccccc1 ZINC000003329917 556812506 /nfs/dbraw/zinc/81/25/06/556812506.db2.gz HOAXAECLAJFDGC-UHFFFAOYSA-N 0 0 448.316 5.648 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003329882 556812572 /nfs/dbraw/zinc/81/25/72/556812572.db2.gz CKOGDJIFLRMTQU-MDWZMJQESA-N 0 0 442.298 5.981 50 0 IKAARN C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003338296 556812710 /nfs/dbraw/zinc/81/27/10/556812710.db2.gz QZAMIBBCMBUXCI-TZOMUSMUSA-N 0 0 430.234 5.178 50 0 IKAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000003336830 556812859 /nfs/dbraw/zinc/81/28/59/556812859.db2.gz WCKQVFNSLKZYGE-UHFFFAOYSA-N 0 0 428.341 5.458 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCc2cccc3ccccc32)cc1 ZINC000003338460 556812872 /nfs/dbraw/zinc/81/28/72/556812872.db2.gz DIMNUNLYLORYGA-UHFFFAOYSA-N 0 0 442.971 6.793 50 0 IKAARN C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003338293 556812876 /nfs/dbraw/zinc/81/28/76/556812876.db2.gz QZAMIBBCMBUXCI-ZPMKCOPCSA-N 0 0 430.234 5.178 50 0 IKAARN CSc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)s1 ZINC000003346205 556813336 /nfs/dbraw/zinc/81/33/36/556813336.db2.gz DKLWPYDJUVCXHS-UHFFFAOYSA-N 0 0 449.435 5.421 50 0 IKAARN CCc1ccc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)c2nc3ccccc3s2)cc1 ZINC000003344640 556813341 /nfs/dbraw/zinc/81/33/41/556813341.db2.gz USMYBISLQZFMLQ-UHFFFAOYSA-N 0 0 448.591 7.433 50 0 IKAARN Brc1ccc(Sc2ccc(NC3c4ccccc4-c4ccccc43)cc2)cc1 ZINC000003349135 556813507 /nfs/dbraw/zinc/81/35/07/556813507.db2.gz PXKSQCFHBMKQBQ-UHFFFAOYSA-N 0 0 444.397 7.782 50 0 IKAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003349737 556813598 /nfs/dbraw/zinc/81/35/98/556813598.db2.gz UHNDOSVHIYEUJZ-UHFFFAOYSA-N 0 0 448.733 6.038 50 0 IKAARN O=C(Cc1ccccc1)N(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1 ZINC000003353947 556813870 /nfs/dbraw/zinc/81/38/70/556813870.db2.gz HDVGZTZXXZPACZ-UHFFFAOYSA-N 0 0 426.513 6.518 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2c1CC[C@H](CC)C2 ZINC000003354411 556813879 /nfs/dbraw/zinc/81/38/79/556813879.db2.gz IRUILIXDVIGCHG-RZXPCSSPSA-N 0 0 443.565 5.109 50 0 IKAARN COC(=O)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1)c1ccccc1 ZINC000003354052 556813881 /nfs/dbraw/zinc/81/38/81/556813881.db2.gz LDIVNXGMHXVSBW-JOCHJYFZSA-N 0 0 429.545 5.558 50 0 IKAARN Clc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1Cl ZINC000003397005 556814369 /nfs/dbraw/zinc/81/43/69/556814369.db2.gz NSSGHWYRALESIR-UHFFFAOYSA-N 0 0 441.387 6.361 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000003403124 556814377 /nfs/dbraw/zinc/81/43/77/556814377.db2.gz WSMGARBJDKATOT-HSZRJFAPSA-N 0 0 440.572 5.220 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)c(F)c3)c3ccccc3n2)c(C)c1 ZINC000003410165 556814645 /nfs/dbraw/zinc/81/46/45/556814645.db2.gz LWGFDHQXIIOEQR-UHFFFAOYSA-N 0 0 431.438 5.837 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003411869 556814731 /nfs/dbraw/zinc/81/47/31/556814731.db2.gz QNJHKMFWSYHZFF-GJZGRUSLSA-N 0 0 442.968 5.563 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000005476799 556814917 /nfs/dbraw/zinc/81/49/17/556814917.db2.gz MZBJFZXPHYOWJE-SFHVURJKSA-N 0 0 426.560 7.558 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1C ZINC000003423368 556814980 /nfs/dbraw/zinc/81/49/80/556814980.db2.gz FIMRFLXMUBMLMK-UHFFFAOYSA-N 0 0 445.471 5.199 50 0 IKAARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000003427571 556815273 /nfs/dbraw/zinc/81/52/73/556815273.db2.gz HKNDKIPRKSPUPI-HHHXNRCGSA-N 0 0 442.603 5.478 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478548 556816076 /nfs/dbraw/zinc/81/60/76/556816076.db2.gz FBIFKDVBQBXZQF-UHFFFAOYSA-N 0 0 426.561 5.441 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Br ZINC000003454705 556816093 /nfs/dbraw/zinc/81/60/93/556816093.db2.gz LVESRZYXKLYMII-UHFFFAOYSA-N 0 0 441.163 5.028 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000021809161 556816167 /nfs/dbraw/zinc/81/61/67/556816167.db2.gz KJESNXRXLAFWKB-JTWNBILESA-N 0 0 435.593 5.125 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000021809298 556816180 /nfs/dbraw/zinc/81/61/80/556816180.db2.gz UHDLAJGILRULOR-VDABOFBKSA-N 0 0 435.593 5.125 50 0 IKAARN Cc1oc(-c2ccc(C(C)C)cc2)nc1Cn1cnc2nc3c(cc2c1=O)C[C@@H](C)CC3 ZINC000033059760 556816195 /nfs/dbraw/zinc/81/61/95/556816195.db2.gz MUAHFULAMNEKDB-INIZCTEOSA-N 0 0 428.536 5.051 50 0 IKAARN Cc1oc(-c2ccc(C(C)C)cc2)nc1Cn1cnc2nc3c(cc2c1=O)C[C@H](C)CC3 ZINC000033059759 556816206 /nfs/dbraw/zinc/81/62/06/556816206.db2.gz MUAHFULAMNEKDB-MRXNPFEDSA-N 0 0 428.536 5.051 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C ZINC000003376044 556816337 /nfs/dbraw/zinc/81/63/37/556816337.db2.gz CONGWHGUGRCFQN-QGZVFWFLSA-N 0 0 443.016 5.444 50 0 IKAARN C[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003504737 556816846 /nfs/dbraw/zinc/81/68/46/556816846.db2.gz ZNJBEKGAJSBQSB-OAHLLOKOSA-N 0 0 441.405 5.120 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H](c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1 ZINC000034263913 556817174 /nfs/dbraw/zinc/81/71/74/556817174.db2.gz SETDDEALFNUFMP-QHCPKHFHSA-N 0 0 447.485 5.812 50 0 IKAARN Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000005482953 556817386 /nfs/dbraw/zinc/81/73/86/556817386.db2.gz IKVRLICKADIBNH-MUUNZHRXSA-N 0 0 426.560 6.006 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2cccc(F)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033062431 556818097 /nfs/dbraw/zinc/81/80/97/556818097.db2.gz ROHQGLZJSHFSQB-FQEVSTJZSA-N 0 0 433.483 5.278 50 0 IKAARN CCn1c(COc2cccc(C)c2C)nnc1SCc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000033067694 556819572 /nfs/dbraw/zinc/81/95/72/556819572.db2.gz LYIRPPRESFOFSN-UHFFFAOYSA-N 0 0 448.592 5.244 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033067882 556820063 /nfs/dbraw/zinc/82/00/63/556820063.db2.gz FULGLCUIPXKXEZ-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000063598830 556821478 /nfs/dbraw/zinc/82/14/78/556821478.db2.gz BTZSWQYXKNZJLE-UHFFFAOYSA-N 0 0 427.331 6.016 50 0 IKAARN Cc1cccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)c1C ZINC000033068262 556821610 /nfs/dbraw/zinc/82/16/10/556821610.db2.gz KHNFBLJYWOPUJL-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)cc1C ZINC000033068285 556821844 /nfs/dbraw/zinc/82/18/44/556821844.db2.gz YRSDHEBTEQWNEO-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN CCCCC1CCC(C(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)CC1 ZINC000033068314 556822053 /nfs/dbraw/zinc/82/20/53/556822053.db2.gz MTUFOYKQXDYFDI-UHFFFAOYSA-N 0 0 447.579 5.517 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCCN(C(=O)Cc3ccccc3)CC1)=N2 ZINC000096503564 556822056 /nfs/dbraw/zinc/82/20/56/556822056.db2.gz DHNMWSGYKSYHKT-UHFFFAOYSA-N 0 0 439.559 5.264 50 0 IKAARN Cc1cc(OCc2c(C)cc(C(C)(C)C)cc2C)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000005546825 556822997 /nfs/dbraw/zinc/82/29/97/556822997.db2.gz TXCSDUCSKDGKMF-UHFFFAOYSA-N 0 0 426.556 7.262 50 0 IKAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000019586225 556823090 /nfs/dbraw/zinc/82/30/90/556823090.db2.gz BZIMVYLIUWWSDE-UHFFFAOYSA-N 0 0 440.503 5.073 50 0 IKAARN Cc1c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)sc2nc(C3CC3)nc(C)c12 ZINC000022991854 556823188 /nfs/dbraw/zinc/82/31/88/556823188.db2.gz YSWNNNTZOSUJEX-GOSISDBHSA-N 0 0 449.576 5.324 50 0 IKAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000064450475 556823910 /nfs/dbraw/zinc/82/39/10/556823910.db2.gz JBHASNZRKCFKOY-UHFFFAOYSA-N 0 0 439.562 5.297 50 0 IKAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N(C)c1cccc(C)c1 ZINC000064450507 556824192 /nfs/dbraw/zinc/82/41/92/556824192.db2.gz QMKIZUNDAUXKMT-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000064450508 556824226 /nfs/dbraw/zinc/82/42/26/556824226.db2.gz WDBFPAHKHCEETL-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000064450487 556824248 /nfs/dbraw/zinc/82/42/48/556824248.db2.gz CQRZNVWUKOMQNQ-UHFFFAOYSA-N 0 0 429.498 5.022 50 0 IKAARN Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)c(Br)c1 ZINC000064472002 556824389 /nfs/dbraw/zinc/82/43/89/556824389.db2.gz XTRZRORSTISAQG-UHFFFAOYSA-N 0 0 444.760 5.939 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c1C ZINC000064661940 556825699 /nfs/dbraw/zinc/82/56/99/556825699.db2.gz IQFWGYVWEXPZRE-SANMLTNESA-N 0 0 443.572 5.055 50 0 IKAARN CCc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000064661948 556825712 /nfs/dbraw/zinc/82/57/12/556825712.db2.gz FEMXYPYAIRKOLL-SANMLTNESA-N 0 0 443.572 5.001 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c(C)c1 ZINC000064661969 556825993 /nfs/dbraw/zinc/82/59/93/556825993.db2.gz WKPMJDCMHPWHSP-SANMLTNESA-N 0 0 443.572 5.055 50 0 IKAARN COc1cccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)c1OC ZINC000064790086 556826607 /nfs/dbraw/zinc/82/66/07/556826607.db2.gz GKFQXTKAJYBXNU-NRFANRHFSA-N 0 0 449.532 5.516 50 0 IKAARN CC[C@H]1CCCCN1C(=O)Cc1c(C)nn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000064790129 556826631 /nfs/dbraw/zinc/82/66/31/556826631.db2.gz WQBOHRSSEDTGSO-IBGZPJMESA-N 0 0 443.016 5.600 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)NCc1ccccc1 ZINC000064790137 556826673 /nfs/dbraw/zinc/82/66/73/556826673.db2.gz PJWZWJGKRSCXLM-UHFFFAOYSA-N 0 0 436.968 5.125 50 0 IKAARN COc1ccc(OC)c([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000064790089 556826676 /nfs/dbraw/zinc/82/66/76/556826676.db2.gz YCCSTSPOQXGOPD-QFIPXVFZSA-N 0 0 449.532 5.516 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1F ZINC000064790135 556826688 /nfs/dbraw/zinc/82/66/88/556826688.db2.gz DKPWDYUCDJFXBN-UHFFFAOYSA-N 0 0 440.931 5.586 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1C ZINC000064790153 556826783 /nfs/dbraw/zinc/82/67/83/556826783.db2.gz QDKRJJKMEKUYTL-UHFFFAOYSA-N 0 0 436.968 5.756 50 0 IKAARN CCOc1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(C)cc4)cs3)c2C)cc1 ZINC000064790206 556826978 /nfs/dbraw/zinc/82/69/78/556826978.db2.gz SUWANYDBUNIPIU-UHFFFAOYSA-N 0 0 446.576 5.501 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1Cl ZINC000064790177 556827077 /nfs/dbraw/zinc/82/70/77/556827077.db2.gz MSNUERVDCHRXHB-UHFFFAOYSA-N 0 0 436.968 5.756 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000064816963 556827732 /nfs/dbraw/zinc/82/77/32/556827732.db2.gz CSGBBJMTKDFVRQ-UHFFFAOYSA-N 0 0 446.576 5.712 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000064816948 556827735 /nfs/dbraw/zinc/82/77/35/556827735.db2.gz NAINFOYLZKWNBN-UHFFFAOYSA-N 0 0 436.512 5.234 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033068648 556828010 /nfs/dbraw/zinc/82/80/10/556828010.db2.gz WYEYSLUWCTZIHH-UHFFFAOYSA-N 0 0 433.964 5.629 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(C)cc1 ZINC000033068657 556828887 /nfs/dbraw/zinc/82/88/87/556828887.db2.gz WUKQRLINBSJRAK-UHFFFAOYSA-N 0 0 429.545 5.268 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)NCCCc2ccccc2)cc1 ZINC000033068724 556829084 /nfs/dbraw/zinc/82/90/84/556829084.db2.gz FLAKFOMCDRGREY-UHFFFAOYSA-N 0 0 441.600 5.370 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000033068759 556829331 /nfs/dbraw/zinc/82/93/31/556829331.db2.gz BBPVBRUMNHLDCV-UHFFFAOYSA-N 0 0 429.545 5.350 50 0 IKAARN Cc1ccc(-n2nc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c3ccccc3c2=O)cc1 ZINC000064949638 556829362 /nfs/dbraw/zinc/82/93/62/556829362.db2.gz KRGBJTOBLUBVFK-UHFFFAOYSA-N 0 0 448.404 5.430 50 0 IKAARN CCOc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064949858 556829454 /nfs/dbraw/zinc/82/94/54/556829454.db2.gz UTMOHAZECKRXMY-UHFFFAOYSA-N 0 0 444.878 5.155 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nn1-c1ccccc1 ZINC000064949574 556829465 /nfs/dbraw/zinc/82/94/65/556829465.db2.gz LBCPJTZWHQXTGJ-UHFFFAOYSA-N 0 0 434.377 5.122 50 0 IKAARN CCc1ccc(-c2noc(-c3nn(-c4cccc(SC)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064950156 556829759 /nfs/dbraw/zinc/82/97/59/556829759.db2.gz SVKBMGRDNVJMLA-UHFFFAOYSA-N 0 0 440.528 5.387 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002334 556830598 /nfs/dbraw/zinc/83/05/98/556830598.db2.gz ANYOPRUKRFFFFZ-UHFFFAOYSA-N 0 0 446.570 5.153 50 0 IKAARN O=C1COc2ccccc2N1Cc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)no1 ZINC000065005135 556831967 /nfs/dbraw/zinc/83/19/67/556831967.db2.gz IBONJGVPXPCTOL-UHFFFAOYSA-N 0 0 433.851 5.108 50 0 IKAARN O=C(Nc1cccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)c1)c1ccco1 ZINC000065005419 556832101 /nfs/dbraw/zinc/83/21/01/556832101.db2.gz ZMBPDUASYXAQQM-UHFFFAOYSA-N 0 0 441.418 6.180 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2s1 ZINC000019630775 556832316 /nfs/dbraw/zinc/83/23/16/556832316.db2.gz KCCKJAKBXQFUNM-UHFFFAOYSA-N 0 0 439.924 6.201 50 0 IKAARN S=C1N=NC(CSCc2ccc(Cl)cc2Cl)N1c1ccc2c(c1)OCCO2 ZINC000019631359 556832589 /nfs/dbraw/zinc/83/25/89/556832589.db2.gz NKABBBGUTVGIDS-UHFFFAOYSA-N 0 0 440.377 5.067 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1 ZINC000033068841 556832711 /nfs/dbraw/zinc/83/27/11/556832711.db2.gz QFZQUSDAFLRDKN-UHFFFAOYSA-N 0 0 431.536 5.707 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000033068840 556832752 /nfs/dbraw/zinc/83/27/52/556832752.db2.gz YDMXDLSDWWLWSG-UHFFFAOYSA-N 0 0 447.991 6.222 50 0 IKAARN CSc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)c1 ZINC000033068857 556832871 /nfs/dbraw/zinc/83/28/71/556832871.db2.gz VOGFFIAKGFKOSY-UHFFFAOYSA-N 0 0 449.576 5.812 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)c1 ZINC000033068838 556832984 /nfs/dbraw/zinc/83/29/84/556832984.db2.gz GIECAYXMHJFIDG-UHFFFAOYSA-N 0 0 447.991 6.222 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCc1ccc(OC)cc1 ZINC000019632419 556833065 /nfs/dbraw/zinc/83/30/65/556833065.db2.gz VJZPZWOODFMVLE-UHFFFAOYSA-N 0 0 440.590 5.011 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(C)cc3)c(NCc3ccc(Cl)cc3)n2c1C ZINC000065315816 556833113 /nfs/dbraw/zinc/83/31/13/556833113.db2.gz UCBCDTPPELKUAY-UHFFFAOYSA-N 0 0 439.968 6.122 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(NC3CCCCCC3)n2c1C ZINC000065318740 556833366 /nfs/dbraw/zinc/83/33/66/556833366.db2.gz UTDGIRHZTZMONI-UHFFFAOYSA-N 0 0 427.570 5.691 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3cc(C)ccc3n2)s1 ZINC000019632509 556833418 /nfs/dbraw/zinc/83/34/18/556833418.db2.gz MHLLSRPLDTVJDZ-UHFFFAOYSA-N 0 0 440.612 6.675 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(O)cc3)c(NCc3cccc(F)c3)n2c1C ZINC000065315876 556833446 /nfs/dbraw/zinc/83/34/46/556833446.db2.gz WWLKWUQNNURZLF-UHFFFAOYSA-N 0 0 425.485 5.005 50 0 IKAARN NC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000019633408 556833522 /nfs/dbraw/zinc/83/35/22/556833522.db2.gz HPYOYGBNFICREZ-UHFFFAOYSA-N 0 0 441.380 5.220 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OCC)cc3)c(NC3CCCCC3)n2c1C ZINC000065318760 556833625 /nfs/dbraw/zinc/83/36/25/556833625.db2.gz YFXDAKSEABXQFK-UHFFFAOYSA-N 0 0 427.570 5.691 50 0 IKAARN O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCC(Cc2ccccc2)CC1 ZINC000019635106 556834682 /nfs/dbraw/zinc/83/46/82/556834682.db2.gz XHJBRAVPJLCLMV-UHFFFAOYSA-N 0 0 441.962 6.045 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1 ZINC000019635569 556834768 /nfs/dbraw/zinc/83/47/68/556834768.db2.gz PVOZFMCMKVFCNS-UHFFFAOYSA-N 0 0 442.412 6.718 50 0 IKAARN Cc1ccc(Cl)c(O[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000019637138 556835805 /nfs/dbraw/zinc/83/58/05/556835805.db2.gz DVCPPHVRADBVPQ-LBPRGKRZSA-N 0 0 442.799 6.516 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2cc3c(cc2N1C(=O)c1cccs1)OCCO3 ZINC000334160399 556836537 /nfs/dbraw/zinc/83/65/37/556836537.db2.gz CZSXBMRZEHGHBQ-UHFFFAOYSA-N 0 0 433.601 5.934 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000062580981 556836721 /nfs/dbraw/zinc/83/67/21/556836721.db2.gz UGHGFLMZBZYQDP-OAQYLSRUSA-N 0 0 436.625 5.406 50 0 IKAARN C[C@@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019639483 556836874 /nfs/dbraw/zinc/83/68/74/556836874.db2.gz FQBBCQDMDDGDSG-CSNVJCEJSA-N 0 0 443.941 5.544 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(Cl)cc32)c1 ZINC000019639465 556836909 /nfs/dbraw/zinc/83/69/09/556836909.db2.gz UQYBHFIAULHLSY-UHFFFAOYSA-N 0 0 443.934 6.383 50 0 IKAARN CC[C@@H](NC(=O)Cn1nc(C(F)F)c(Br)c1C)C12CC3CC(CC(C3)C1)C2 ZINC000019639947 556836965 /nfs/dbraw/zinc/83/69/65/556836965.db2.gz ORQYYEHRXZBBEL-NSOUWEPUSA-N 0 0 444.364 5.003 50 0 IKAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4Cc5c(cnc6c7c(cccc7F)nn65)C[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000334161535 556837162 /nfs/dbraw/zinc/83/71/62/556837162.db2.gz DAWPFPOCBDCGER-XMHNWZROSA-N 0 0 447.598 5.730 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)Cn2ccc3c2cccc3NC(C)=O)c2ccccc12 ZINC000334161453 556837179 /nfs/dbraw/zinc/83/71/79/556837179.db2.gz CFOJGVRSRXILIJ-RUZDIDTESA-N 0 0 441.531 5.125 50 0 IKAARN CCn1cc(-c2csc(NC(=O)c3cccc(COc4ccc5c(c4)CCC5)c3)n2)cn1 ZINC000019641465 556837419 /nfs/dbraw/zinc/83/74/19/556837419.db2.gz XPEFRPPXJXOUQS-UHFFFAOYSA-N 0 0 444.560 5.347 50 0 IKAARN c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(Nc5ccccc5)cc4)cc3)cc2)cc1 ZINC000096602145 556837838 /nfs/dbraw/zinc/83/78/38/556837838.db2.gz DXHOYNUQKZFILC-UHFFFAOYSA-N 0 0 442.566 8.661 50 0 IKAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccc(Br)cc2)c(Cl)c1 ZINC000019642126 556837960 /nfs/dbraw/zinc/83/79/60/556837960.db2.gz PCJQCYYPKYDMRE-UHFFFAOYSA-N 0 0 444.782 5.544 50 0 IKAARN O=C(Nc1csc(-c2cccc(NC(=O)c3cccc4ccccc43)c2)n1)c1ccccc1 ZINC000096602397 556838028 /nfs/dbraw/zinc/83/80/28/556838028.db2.gz GPSCMXKZLGPVOF-UHFFFAOYSA-N 0 0 449.535 6.468 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)[C@H](c1ccccc1)C1CCCC1 ZINC000096602665 556838318 /nfs/dbraw/zinc/83/83/18/556838318.db2.gz VDBXMFWWURLGDF-XMMPIXPASA-N 0 0 447.003 7.529 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccco4)c3c2N)cc1 ZINC000096602673 556838364 /nfs/dbraw/zinc/83/83/64/556838364.db2.gz DLRMJIFPWSUKCX-UHFFFAOYSA-N 0 0 439.540 6.675 50 0 IKAARN c1csc(-c2nc3scc(-c4ccccc4)c3c(N3CCC(n4cncn4)CC3)n2)c1 ZINC000062582585 556838480 /nfs/dbraw/zinc/83/84/80/556838480.db2.gz RGJFDKNWWQQSAE-UHFFFAOYSA-N 0 0 444.589 5.520 50 0 IKAARN COc1ccc(CCn2c(=S)[nH]nc2C2c3ccccc3Oc3ccccc32)cc1OC ZINC000019643679 556838571 /nfs/dbraw/zinc/83/85/71/556838571.db2.gz OVDBFLASWOTVAJ-UHFFFAOYSA-N 0 0 445.544 5.486 50 0 IKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1sc2cccc(F)c2c1Cl ZINC000019644055 556839022 /nfs/dbraw/zinc/83/90/22/556839022.db2.gz RRPPTSTXJXPLQA-UHFFFAOYSA-N 0 0 445.924 6.461 50 0 IKAARN O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000019645410 556839808 /nfs/dbraw/zinc/83/98/08/556839808.db2.gz BSTZIDIMMFFHPJ-UHFFFAOYSA-N 0 0 446.913 5.052 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc3n2)c1 ZINC000019646364 556840500 /nfs/dbraw/zinc/84/05/00/556840500.db2.gz PJGHPKQCOHYRAD-XYOKQWHBSA-N 0 0 447.582 5.681 50 0 IKAARN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000019646938 556840697 /nfs/dbraw/zinc/84/06/97/556840697.db2.gz PDPVCKJDUAYLJQ-UHFFFAOYSA-N 0 0 448.378 7.637 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccc2c3c(cccc31)CC2)[C@H](c1ccccc1)C1CCCC1 ZINC000067194123 556841906 /nfs/dbraw/zinc/84/19/06/556841906.db2.gz IOEOKVOYHXSRMC-JSOSNVBQSA-N 0 0 445.606 7.118 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)sc2c1 ZINC000003135936 556841991 /nfs/dbraw/zinc/84/19/91/556841991.db2.gz RFEGEJCXJRAHPI-UHFFFAOYSA-N 0 0 427.451 6.935 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc2c3c(cccc31)CC2)[C@@H](c1ccccc1)C1CCCC1 ZINC000067194121 556841994 /nfs/dbraw/zinc/84/19/94/556841994.db2.gz IOEOKVOYHXSRMC-IOWSJCHKSA-N 0 0 445.606 7.118 50 0 IKAARN COc1cccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2C)c1 ZINC000067341685 556842538 /nfs/dbraw/zinc/84/25/38/556842538.db2.gz IBURELQTIJLFBP-UHFFFAOYSA-N 0 0 427.327 5.137 50 0 IKAARN O=C(c1ccc2ccccc2c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000008704854 556842670 /nfs/dbraw/zinc/84/26/70/556842670.db2.gz PWGUHHJNQDYLFE-UHFFFAOYSA-N 0 0 448.320 5.457 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 ZINC000008718797 556842921 /nfs/dbraw/zinc/84/29/21/556842921.db2.gz HNFZRTREBFKYPM-IBGZPJMESA-N 0 0 427.570 5.057 50 0 IKAARN CCc1cccc(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)c1 ZINC000011214754 556843065 /nfs/dbraw/zinc/84/30/65/556843065.db2.gz FFZANPUHTLBKJV-LJQANCHMSA-N 0 0 449.624 5.107 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cs2)cc1 ZINC000011216060 556844116 /nfs/dbraw/zinc/84/41/16/556844116.db2.gz YRJVYWGTQVXGDE-UHFFFAOYSA-N 0 0 447.516 5.057 50 0 IKAARN O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1ccc(Oc2ccccc2)cc1 ZINC000067631057 556845525 /nfs/dbraw/zinc/84/55/25/556845525.db2.gz TYSAERCLBJSADI-UHFFFAOYSA-N 0 0 437.503 5.268 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(NC(=O)c4ccco4)cc3)o2)cc1C ZINC000011217047 556846722 /nfs/dbraw/zinc/84/67/22/556846722.db2.gz WROGBYUSTUBMKV-UHFFFAOYSA-N 0 0 429.476 5.375 50 0 IKAARN COc1ccc(-c2nnc(NC(=O)c3sc4cccc(Cl)c4c3Cl)s2)cc1 ZINC000526052462 556848654 /nfs/dbraw/zinc/84/86/54/556848654.db2.gz QEKBGKFQUCNYSH-UHFFFAOYSA-N 0 0 436.345 5.988 50 0 IKAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000008824294 556849074 /nfs/dbraw/zinc/84/90/74/556849074.db2.gz XLMFOSFNKFHYHY-UHFFFAOYSA-N 0 0 447.494 5.478 50 0 IKAARN Cc1ccc(Nc2nc(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cs2)cc1 ZINC000008826238 556849188 /nfs/dbraw/zinc/84/91/88/556849188.db2.gz MBBIXGNLUXHBAX-UHFFFAOYSA-N 0 0 446.504 6.139 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)s1 ZINC000068713032 556849253 /nfs/dbraw/zinc/84/92/53/556849253.db2.gz FLKIUXABHPZTPP-QHCPKHFHSA-N 0 0 425.937 5.026 50 0 IKAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ncc(Cl)c(Cl)c1Cl ZINC000008825868 556849282 /nfs/dbraw/zinc/84/92/82/556849282.db2.gz VKSUIRIMUIASMR-UHFFFAOYSA-N 0 0 440.711 6.219 50 0 IKAARN O=C(CCCc1c[nH]c2ccccc12)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000008825350 556849292 /nfs/dbraw/zinc/84/92/92/556849292.db2.gz WQPVZDDCOPHBLF-UHFFFAOYSA-N 0 0 430.577 5.144 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)s1 ZINC000068713029 556849275 /nfs/dbraw/zinc/84/92/75/556849275.db2.gz FLKIUXABHPZTPP-HSZRJFAPSA-N 0 0 425.937 5.026 50 0 IKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 ZINC000008849885 556849993 /nfs/dbraw/zinc/84/99/93/556849993.db2.gz ZRYARIMZSIPKIZ-SECBINFHSA-N 0 0 443.319 5.148 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 ZINC000008849881 556850047 /nfs/dbraw/zinc/85/00/47/556850047.db2.gz ZRYARIMZSIPKIZ-VIFPVBQESA-N 0 0 443.319 5.148 50 0 IKAARN COC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1 ZINC000008854433 556850186 /nfs/dbraw/zinc/85/01/86/556850186.db2.gz BKSJEPGSEBLNSN-UHFFFAOYSA-N 0 0 432.954 5.057 50 0 IKAARN COc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000008854448 556850211 /nfs/dbraw/zinc/85/02/11/556850211.db2.gz RQCJYGWFIPSVSO-UHFFFAOYSA-N 0 0 434.970 5.287 50 0 IKAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000008887247 556850756 /nfs/dbraw/zinc/85/07/56/556850756.db2.gz FBTNQINPZNPNSZ-MUUNZHRXSA-N 0 0 434.495 5.157 50 0 IKAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n(CC(C)C)c2=O ZINC000033076946 556850764 /nfs/dbraw/zinc/85/07/64/556850764.db2.gz GIRZAIGNVLFTQK-UHFFFAOYSA-N 0 0 444.000 5.138 50 0 IKAARN CCc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1 ZINC000008875943 556851489 /nfs/dbraw/zinc/85/14/89/556851489.db2.gz NFZFAMWNGOKZPN-UHFFFAOYSA-N 0 0 447.589 5.264 50 0 IKAARN Cc1ccc(C)c(CSc2nc(CC(=O)Nc3nc4ccccc4s3)cs2)c1 ZINC000008937696 556852981 /nfs/dbraw/zinc/85/29/81/556852981.db2.gz GUXPSLMGLWYEGX-UHFFFAOYSA-N 0 0 425.604 5.843 50 0 IKAARN CCCCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1[C@@H](CC)N(C)C ZINC000008941618 556853017 /nfs/dbraw/zinc/85/30/17/556853017.db2.gz YJNCJRKSTOJOBB-LJQANCHMSA-N 0 0 445.658 5.515 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078869 556853886 /nfs/dbraw/zinc/85/38/86/556853886.db2.gz AMFLSDCBWRHXMH-UHFFFAOYSA-N 0 0 428.989 5.983 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033085273 556855278 /nfs/dbraw/zinc/85/52/78/556855278.db2.gz JUZOIKIABVFCRA-UHFFFAOYSA-N 0 0 445.350 5.307 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000033085285 556855332 /nfs/dbraw/zinc/85/53/32/556855332.db2.gz RQCLJSWIBRUMPV-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000033088309 556856260 /nfs/dbraw/zinc/85/62/60/556856260.db2.gz BMLBIJCPQUEYMC-UHFFFAOYSA-N 0 0 426.520 5.037 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085703 556856737 /nfs/dbraw/zinc/85/67/37/556856737.db2.gz HNBGGJLLYOXHBF-UHFFFAOYSA-N 0 0 432.499 5.360 50 0 IKAARN CCn1c2cc(C)c(C)cc2nc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1=O ZINC000033085913 556856819 /nfs/dbraw/zinc/85/68/19/556856819.db2.gz NWJFCFVJVKMJMH-UHFFFAOYSA-N 0 0 447.922 5.731 50 0 IKAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000033086157 556857026 /nfs/dbraw/zinc/85/70/26/556857026.db2.gz VBNDMGZJJJTWGG-UHFFFAOYSA-N 0 0 432.911 6.150 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3F)c3ccccc3n2)cc1 ZINC000033106300 556858583 /nfs/dbraw/zinc/85/85/83/556858583.db2.gz MBOXWBGUZPBWIL-UHFFFAOYSA-N 0 0 427.479 5.319 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000033106236 556858587 /nfs/dbraw/zinc/85/85/87/556858587.db2.gz GHJPIRSSCKIYLL-UHFFFAOYSA-N 0 0 429.907 6.156 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000033106311 556858807 /nfs/dbraw/zinc/85/88/07/556858807.db2.gz OAZMIALNMAUZRS-UHFFFAOYSA-N 0 0 429.907 5.444 50 0 IKAARN COc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)cc1 ZINC000033106340 556858813 /nfs/dbraw/zinc/85/88/13/556858813.db2.gz ZTODZOUYETXBLZ-UHFFFAOYSA-N 0 0 439.515 5.107 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000033106564 556859026 /nfs/dbraw/zinc/85/90/26/556859026.db2.gz PEFPBRSHVANKJH-UHFFFAOYSA-N 0 0 439.563 5.056 50 0 IKAARN O=C(Nc1cc(C(=O)N2CCCSc3ccccc32)ccc1Cl)c1cccs1 ZINC000060438705 556859468 /nfs/dbraw/zinc/85/94/68/556859468.db2.gz QHCKMZYFCNHNIM-UHFFFAOYSA-N 0 0 428.966 5.796 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)c1 ZINC000033113228 556859833 /nfs/dbraw/zinc/85/98/33/556859833.db2.gz NODSRJXRTVCTKY-SFHVURJKSA-N 0 0 449.580 5.127 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 ZINC000033113218 556859959 /nfs/dbraw/zinc/85/99/59/556859959.db2.gz SGJPRXSUHPLBAW-SFHVURJKSA-N 0 0 449.580 5.073 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033113323 556859972 /nfs/dbraw/zinc/85/99/72/556859972.db2.gz GCYUJALVPXKDSZ-GOSISDBHSA-N 0 0 449.580 5.073 50 0 IKAARN COc1ccc(OCC(=O)Nc2cccc(-c3ccc4cc(C(C)C)ccc4n3)c2)cc1 ZINC000033113816 556860651 /nfs/dbraw/zinc/86/06/51/556860651.db2.gz QUBKXWDUIREENP-UHFFFAOYSA-N 0 0 426.516 6.051 50 0 IKAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccc(C)cc4C)CC3)s2)cc1 ZINC000033114052 556860908 /nfs/dbraw/zinc/86/09/08/556860908.db2.gz VSXWJYAYSQRRBI-UHFFFAOYSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc32)cc1Cl ZINC000033114725 556861454 /nfs/dbraw/zinc/86/14/54/556861454.db2.gz JFPGKRFABSFBAR-UHFFFAOYSA-N 0 0 426.973 5.313 50 0 IKAARN Cn1cc(-c2ccccc2)c2nc(SCc3ccc(F)cc3Cl)n(C3CC3)c(=O)c21 ZINC000033114592 556861468 /nfs/dbraw/zinc/86/14/68/556861468.db2.gz MPCUMTYCSCTEJO-UHFFFAOYSA-N 0 0 439.943 5.822 50 0 IKAARN O=S(=O)(Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1)c1ccc(Cl)s1 ZINC000033114635 556861549 /nfs/dbraw/zinc/86/15/49/556861549.db2.gz GSKCDHDFPNKTTA-UHFFFAOYSA-N 0 0 446.937 5.004 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc32)cc1Cl ZINC000033114721 556861560 /nfs/dbraw/zinc/86/15/60/556861560.db2.gz LKIFOOBCQKHOMC-UHFFFAOYSA-N 0 0 442.972 5.013 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)NC1CCCCCCC1 ZINC000033115966 556861720 /nfs/dbraw/zinc/86/17/20/556861720.db2.gz USYQUXLEUXVMJP-UHFFFAOYSA-N 0 0 433.556 5.259 50 0 IKAARN Cc1cccc(NC(=O)C2CCN(c3cc(C)nc4cc(-c5ccc(F)cc5)nn43)CC2)c1 ZINC000033115849 556861792 /nfs/dbraw/zinc/86/17/92/556861792.db2.gz STJRNNYYDKBWPQ-UHFFFAOYSA-N 0 0 443.526 5.007 50 0 IKAARN CCn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1 ZINC000033116546 556862334 /nfs/dbraw/zinc/86/23/34/556862334.db2.gz KGNGCSLKXASXAN-UHFFFAOYSA-N 0 0 437.540 5.090 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000033122072 556862970 /nfs/dbraw/zinc/86/29/70/556862970.db2.gz JVGGTBYPLZJGSA-UHFFFAOYSA-N 0 0 437.956 5.442 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000033122068 556863031 /nfs/dbraw/zinc/86/30/31/556863031.db2.gz BWULDGAGTHNQKA-UHFFFAOYSA-N 0 0 437.956 5.442 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n2ncnc2n1 ZINC000033121965 556863079 /nfs/dbraw/zinc/86/30/79/556863079.db2.gz LBIYOEIHEILFPY-UHFFFAOYSA-N 0 0 445.592 5.778 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000033122235 556863233 /nfs/dbraw/zinc/86/32/33/556863233.db2.gz QUDTXOWZHUHDEG-UHFFFAOYSA-N 0 0 446.580 5.797 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033123851 556864188 /nfs/dbraw/zinc/86/41/88/556864188.db2.gz PKTHKMQNMRJIIA-UHFFFAOYSA-N 0 0 433.895 6.309 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033123855 556864197 /nfs/dbraw/zinc/86/41/97/556864197.db2.gz VQLYHXXYZYNPDA-UHFFFAOYSA-N 0 0 447.922 6.238 50 0 IKAARN CCOC(=O)C[C@@H](NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 ZINC000033124120 556864209 /nfs/dbraw/zinc/86/42/09/556864209.db2.gz HEDTZBZXYHAASV-OAQYLSRUSA-N 0 0 445.544 5.779 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc21 ZINC000033129198 556865999 /nfs/dbraw/zinc/86/59/99/556865999.db2.gz NQOJNDCPHMMITL-UHFFFAOYSA-N 0 0 447.922 6.607 50 0 IKAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000033129060 556866032 /nfs/dbraw/zinc/86/60/32/556866032.db2.gz PFMJZEQALSWQCI-UHFFFAOYSA-N 0 0 432.492 5.973 50 0 IKAARN Cc1ccc(C[N@H+](Cc2cc(=O)n3[n-]c(-c4cccc(Cl)c4)cc3n2)CC(C)C)cc1 ZINC000033126275 556866976 /nfs/dbraw/zinc/86/69/76/556866976.db2.gz SPFBKQNABWSJMR-UHFFFAOYSA-N 0 0 434.971 5.310 50 0 IKAARN CCCn1c(CCc2cccc(NC(=O)Nc3ccccc3OCC)c2)nc2ccccc21 ZINC000033126399 556866997 /nfs/dbraw/zinc/86/69/97/556866997.db2.gz CRIRQXWMMBMFJQ-UHFFFAOYSA-N 0 0 442.563 6.274 50 0 IKAARN Cc1ccc(C[N@H+](Cc2cc(=O)n3[n-]c(-c4ccc(Cl)cc4)cc3n2)CC(C)C)cc1 ZINC000033126273 556867004 /nfs/dbraw/zinc/86/70/04/556867004.db2.gz GAARWFDSEXPHRZ-UHFFFAOYSA-N 0 0 434.971 5.310 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1 ZINC000033126440 556867019 /nfs/dbraw/zinc/86/70/19/556867019.db2.gz TZTRBLOLWCJNPN-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 ZINC000033129253 556868274 /nfs/dbraw/zinc/86/82/74/556868274.db2.gz GWWIZSDKIPMQBE-UHFFFAOYSA-N 0 0 435.886 6.025 50 0 IKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)NCc3cccc(F)c3)cc21 ZINC000033129262 556868304 /nfs/dbraw/zinc/86/83/04/556868304.db2.gz ZGUVGQKGDXXEQB-UHFFFAOYSA-N 0 0 435.886 6.025 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000033129266 556868427 /nfs/dbraw/zinc/86/84/27/556868427.db2.gz PGGZVQFSHDQYDB-UHFFFAOYSA-N 0 0 445.950 7.215 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3cccc(OC)c3)cc21 ZINC000033129265 556868472 /nfs/dbraw/zinc/86/84/72/556868472.db2.gz AMMDBHYWCCQZBW-UHFFFAOYSA-N 0 0 447.922 6.607 50 0 IKAARN COc1ccc(OC)c(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129488 556868592 /nfs/dbraw/zinc/86/85/92/556868592.db2.gz CAIAYPCBVDCKFO-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c(OC)c1 ZINC000033129511 556868723 /nfs/dbraw/zinc/86/87/23/556868723.db2.gz UATSYOIDHBBRBP-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)c1 ZINC000033130006 556869541 /nfs/dbraw/zinc/86/95/41/556869541.db2.gz SISSZMMMIYZAFN-UHFFFAOYSA-N 0 0 448.588 5.397 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1C ZINC000033129952 556869565 /nfs/dbraw/zinc/86/95/65/556869565.db2.gz NVULYJMDKXZMDS-UHFFFAOYSA-N 0 0 434.561 5.007 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000033129951 556869572 /nfs/dbraw/zinc/86/95/72/556869572.db2.gz FYBSITMZEXNEQA-UHFFFAOYSA-N 0 0 448.588 5.514 50 0 IKAARN CCCOc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1 ZINC000033130451 556870355 /nfs/dbraw/zinc/87/03/55/556870355.db2.gz DSDIZMDRIDGGTH-UHFFFAOYSA-N 0 0 439.515 5.655 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)n2)cc1 ZINC000033130480 556870434 /nfs/dbraw/zinc/87/04/34/556870434.db2.gz QIMOSKSHSZXSNY-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3ccc(C)cc3C)c2)n1 ZINC000033130535 556870618 /nfs/dbraw/zinc/87/06/18/556870618.db2.gz MQUCZHLIAGBAOA-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)n2)cc1 ZINC000033130485 556870662 /nfs/dbraw/zinc/87/06/62/556870662.db2.gz CDESQPPGENDTSF-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4C)c3)n2)c1 ZINC000033130595 556870840 /nfs/dbraw/zinc/87/08/40/556870840.db2.gz CFYVTEITDJOBIF-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)c1 ZINC000033130583 556870842 /nfs/dbraw/zinc/87/08/42/556870842.db2.gz LNUBGBAWYQWDBO-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2cccc(SC)c2)n1 ZINC000033130658 556870848 /nfs/dbraw/zinc/87/08/48/556870848.db2.gz MVDMKUVLYZUDCZ-UHFFFAOYSA-N 0 0 432.549 5.680 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)n2)c1 ZINC000033130570 556870878 /nfs/dbraw/zinc/87/08/78/556870878.db2.gz FGYWLPURQBZTKC-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4cccc(Cl)c4)c3)n2)c1 ZINC000033130567 556870908 /nfs/dbraw/zinc/87/09/08/556870908.db2.gz UMBPQBOCSNAPIB-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN O=C(Nc1c2cc(Cl)ccc2[nH]c1-c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000033130741 556871078 /nfs/dbraw/zinc/87/10/78/556871078.db2.gz FZYXEQWLGGWLRK-UHFFFAOYSA-N 0 0 430.817 6.546 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)cc1Cl ZINC000033130753 556871130 /nfs/dbraw/zinc/87/11/30/556871130.db2.gz GZTLGUIQXMHSRG-UHFFFAOYSA-N 0 0 440.862 5.684 50 0 IKAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4cccc(OC)c4)c3)nn2)cc1 ZINC000033130985 556871323 /nfs/dbraw/zinc/87/13/23/556871323.db2.gz VBWQHHRALJFMOR-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4cccc(C)c4)n3)c2)cc1OC ZINC000033139090 556872838 /nfs/dbraw/zinc/87/28/38/556872838.db2.gz QCLDWKZRVQFLON-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)n2)cc1 ZINC000033139163 556872971 /nfs/dbraw/zinc/87/29/71/556872971.db2.gz FXSQPNDFZHXETA-UHFFFAOYSA-N 0 0 439.471 5.268 50 0 IKAARN COc1cccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)c1 ZINC000033139204 556872977 /nfs/dbraw/zinc/87/29/77/556872977.db2.gz LRBCWNUKSNUOGY-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139144 556873033 /nfs/dbraw/zinc/87/30/33/556873033.db2.gz PCGJZURHOAUBEC-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139108 556873071 /nfs/dbraw/zinc/87/30/71/556873071.db2.gz MSPPKOTZLVINTI-UHFFFAOYSA-N 0 0 443.434 5.099 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139123 556873101 /nfs/dbraw/zinc/87/31/01/556873101.db2.gz JZYWHTUKRVUWOP-UHFFFAOYSA-N 0 0 437.833 6.120 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Oc2ccnc(-c3ccc(C)cc3)n2)c1 ZINC000033139165 556873112 /nfs/dbraw/zinc/87/31/12/556873112.db2.gz PJBDKNPGSYAJAS-UHFFFAOYSA-N 0 0 425.488 5.895 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033139218 556874029 /nfs/dbraw/zinc/87/40/29/556874029.db2.gz YWRLQNOKPHSOAB-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCc3ccccc3Cl)cc2)nc1 ZINC000033139273 556874032 /nfs/dbraw/zinc/87/40/32/556874032.db2.gz JSNRDISFQFPGEQ-UHFFFAOYSA-N 0 0 429.907 5.828 50 0 IKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)nc2)cc1 ZINC000033139310 556874115 /nfs/dbraw/zinc/87/41/15/556874115.db2.gz JEGKBIGGOGOHHJ-UHFFFAOYSA-N 0 0 429.907 6.458 50 0 IKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)nc2)cc1 ZINC000033139323 556874364 /nfs/dbraw/zinc/87/43/64/556874364.db2.gz JSWKGADPZJDNCM-AREMUKBSSA-N 0 0 435.527 6.052 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1 ZINC000033139345 556874469 /nfs/dbraw/zinc/87/44/69/556874469.db2.gz QMTVJVDDZIYXMJ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1cc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc(OC)c1 ZINC000033139327 556874481 /nfs/dbraw/zinc/87/44/81/556874481.db2.gz BDKOZNQMCDLGTO-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)nc2)cc1 ZINC000033139322 556874489 /nfs/dbraw/zinc/87/44/89/556874489.db2.gz HWKLUJBRNHEGIG-UHFFFAOYSA-N 0 0 433.870 6.289 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1Cl ZINC000033139330 556874495 /nfs/dbraw/zinc/87/44/95/556874495.db2.gz PHDGHTZDBCUSQA-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000033140070 556874955 /nfs/dbraw/zinc/87/49/55/556874955.db2.gz YNMJIZAZMNGLFX-UHFFFAOYSA-N 0 0 430.573 6.049 50 0 IKAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1 ZINC000033139954 556875092 /nfs/dbraw/zinc/87/50/92/556875092.db2.gz QFROTGLNZZSKNP-UHFFFAOYSA-N 0 0 445.588 6.349 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1ccc(Oc2nccnc2Sc2ccc(F)cc2)cc1 ZINC000033139929 556875098 /nfs/dbraw/zinc/87/50/98/556875098.db2.gz QVYLMSSOCMPYKY-UHFFFAOYSA-N 0 0 449.482 5.628 50 0 IKAARN O=C(NCc1ccccc1F)c1ccc(Oc2nccnc2Sc2ccc(F)cc2)cc1 ZINC000033139932 556875132 /nfs/dbraw/zinc/87/51/32/556875132.db2.gz LPGOCUKSQOLVEE-UHFFFAOYSA-N 0 0 449.482 5.628 50 0 IKAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NCc3cccnc3)cc2)cc1 ZINC000033139940 556875147 /nfs/dbraw/zinc/87/51/47/556875147.db2.gz RUDRUZOFBSOSOK-UHFFFAOYSA-N 0 0 428.517 5.054 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139979 556875158 /nfs/dbraw/zinc/87/51/58/556875158.db2.gz XJCPYRWWQJFXTO-UHFFFAOYSA-N 0 0 441.556 5.783 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(Oc3nccnc3Sc3ccc(F)cc3)cc2)c1 ZINC000033139925 556875172 /nfs/dbraw/zinc/87/51/72/556875172.db2.gz DNITZROZISKSKI-UHFFFAOYSA-N 0 0 445.519 5.798 50 0 IKAARN c1ccc(-c2noc(-c3cc(N4CCN(c5ccccc5)CC4)nc4ccccc43)n2)cc1 ZINC000033140342 556876104 /nfs/dbraw/zinc/87/61/04/556876104.db2.gz FOQXMJMFNVRAJH-UHFFFAOYSA-N 0 0 433.515 5.278 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cccc(Cl)c1)CC2 ZINC000019732543 556876725 /nfs/dbraw/zinc/87/67/25/556876725.db2.gz RPBGYMCXNLUKRG-XMMPIXPASA-N 0 0 428.359 6.158 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(C(C)C)cc1)CC2 ZINC000019732675 556876858 /nfs/dbraw/zinc/87/68/58/556876858.db2.gz LAOABSDSDXASJZ-HHHXNRCGSA-N 0 0 435.995 6.628 50 0 IKAARN c1ccc(-c2cc(-c3nn4c(CN5CCCCCC5)nnc4s3)c3ccccc3n2)cc1 ZINC000071260620 556879796 /nfs/dbraw/zinc/87/97/96/556879796.db2.gz NGKDUUKDTZXPCW-UHFFFAOYSA-N 0 0 440.576 5.444 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 ZINC000033168709 556880957 /nfs/dbraw/zinc/88/09/57/556880957.db2.gz RCQJNDRPARCKPC-FPOVZHCZSA-N 0 0 432.593 5.030 50 0 IKAARN Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169038 556881235 /nfs/dbraw/zinc/88/12/35/556881235.db2.gz IIKJJNLDKSTZJH-UHFFFAOYSA-N 0 0 449.384 6.379 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1C ZINC000033169108 556881379 /nfs/dbraw/zinc/88/13/79/556881379.db2.gz POWODCJMLRLFRO-UHFFFAOYSA-N 0 0 436.602 6.306 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3Cl)sc2c1 ZINC000033169075 556881476 /nfs/dbraw/zinc/88/14/76/556881476.db2.gz VIHVUJXKDFYMIX-UHFFFAOYSA-N 0 0 444.965 5.567 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)c(F)c4)cc3Cl)sc2c1 ZINC000033169067 556881538 /nfs/dbraw/zinc/88/15/38/556881538.db2.gz AMMFGDXWXSPNEE-UHFFFAOYSA-N 0 0 446.956 6.173 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3Cl)sc2c1 ZINC000033169072 556881561 /nfs/dbraw/zinc/88/15/61/556881561.db2.gz HRROAISSLHCHIX-UHFFFAOYSA-N 0 0 444.965 5.735 50 0 IKAARN COc1cc(NC(=O)C2CCN(c3nccc4sc(C)cc43)CC2)c(OC)cc1Cl ZINC000033171945 556882772 /nfs/dbraw/zinc/88/27/72/556882772.db2.gz XMGJYUDTPSLSBO-UHFFFAOYSA-N 0 0 445.972 5.130 50 0 IKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)s1 ZINC000033171994 556882801 /nfs/dbraw/zinc/88/28/01/556882801.db2.gz OIIMCZXEIIQHAL-UHFFFAOYSA-N 0 0 435.471 5.358 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000033173401 556883227 /nfs/dbraw/zinc/88/32/27/556883227.db2.gz KILCPRYCXZVAQI-UHFFFAOYSA-N 0 0 430.835 5.431 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc(OC)c1 ZINC000033169363 556884421 /nfs/dbraw/zinc/88/44/21/556884421.db2.gz AQMKNNOTSZKHTA-UHFFFAOYSA-N 0 0 443.503 6.287 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1OC ZINC000033169356 556884513 /nfs/dbraw/zinc/88/45/13/556884513.db2.gz ZCANYWQAQJSSDX-UHFFFAOYSA-N 0 0 443.503 6.287 50 0 IKAARN COc1ccc(CNC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000033169377 556884551 /nfs/dbraw/zinc/88/45/51/556884551.db2.gz LANXHHYZCYDIRO-UHFFFAOYSA-N 0 0 427.504 5.956 50 0 IKAARN C[C@@H](CC(=O)NCc1ccco1)CC(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004691085 556886839 /nfs/dbraw/zinc/88/68/39/556886839.db2.gz JZXHBPJWASZGTH-IBGZPJMESA-N 0 0 426.557 5.300 50 0 IKAARN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 ZINC000004699049 556887229 /nfs/dbraw/zinc/88/72/29/556887229.db2.gz SFFRXPOUVVSNRQ-UHFFFAOYSA-N 0 0 425.554 5.626 50 0 IKAARN CCN(CC)C(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000004702090 556887541 /nfs/dbraw/zinc/88/75/41/556887541.db2.gz QCRXXRHCEANMGX-INIZCTEOSA-N 0 0 430.589 5.773 50 0 IKAARN COc1ccccc1OCC[C@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 ZINC000071769345 556887880 /nfs/dbraw/zinc/88/78/80/556887880.db2.gz WQOXSHBIHNYKFU-DEOSSOPVSA-N 0 0 429.560 5.317 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251087 556891736 /nfs/dbraw/zinc/89/17/36/556891736.db2.gz BAXJQMAEVAILCJ-INIZCTEOSA-N 0 0 437.849 5.275 50 0 IKAARN CCc1ccc(NC(=O)[C@H](CC)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000033251168 556891877 /nfs/dbraw/zinc/89/18/77/556891877.db2.gz GDDQAQCYAXTHPT-SFHVURJKSA-N 0 0 431.458 5.184 50 0 IKAARN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251104 556891924 /nfs/dbraw/zinc/89/19/24/556891924.db2.gz SZVMOXQHEROCRA-KRWDZBQOSA-N 0 0 431.458 5.239 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251153 556891930 /nfs/dbraw/zinc/89/19/30/556891930.db2.gz ZMEWOBIUNCPPRU-GOSISDBHSA-N 0 0 431.458 5.239 50 0 IKAARN CCc1cccc(NC(=O)[C@@H](CC)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)c1 ZINC000033251189 556892059 /nfs/dbraw/zinc/89/20/59/556892059.db2.gz INKMOJMWBHSFAB-GOSISDBHSA-N 0 0 431.458 5.184 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C)cc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251190 556892114 /nfs/dbraw/zinc/89/21/14/556892114.db2.gz BWESHYPAVJHSOZ-SFHVURJKSA-N 0 0 431.458 5.239 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NCCC4=CCCCC4)[nH]c(=O)c32)C1 ZINC000033252263 556892709 /nfs/dbraw/zinc/89/27/09/556892709.db2.gz MDZCMLKXVBHUEA-QGZVFWFLSA-N 0 0 441.641 5.075 50 0 IKAARN O=C(NC1CC1)c1ccc(Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000033252305 556892892 /nfs/dbraw/zinc/89/28/92/556892892.db2.gz NNTOPGFHKXQHJB-UHFFFAOYSA-N 0 0 448.979 5.318 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000033255262 556894746 /nfs/dbraw/zinc/89/47/46/556894746.db2.gz JJJAMESLFNRJBM-UHFFFAOYSA-N 0 0 426.904 5.119 50 0 IKAARN CCc1ccc(-c2noc(-c3cn(C)c4cc(N5CCC(C)CC5)c(F)cc4c3=O)n2)cc1 ZINC000033256015 556895195 /nfs/dbraw/zinc/89/51/95/556895195.db2.gz WZDQNMWNXPJYMW-UHFFFAOYSA-N 0 0 446.526 5.193 50 0 IKAARN CCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000033256021 556895278 /nfs/dbraw/zinc/89/52/78/556895278.db2.gz WNWAZTOAVAPRJR-UHFFFAOYSA-N 0 0 446.526 5.422 50 0 IKAARN Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255931 556895359 /nfs/dbraw/zinc/89/53/59/556895359.db2.gz TUMPFNPTGRRFJY-UHFFFAOYSA-N 0 0 438.890 5.038 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c(OC)c1 ZINC000033257013 556895474 /nfs/dbraw/zinc/89/54/74/556895474.db2.gz MFAURWUIJRJFBP-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN CCc1cc(Sc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n2ncnc2n1 ZINC000033257068 556895539 /nfs/dbraw/zinc/89/55/39/556895539.db2.gz ILVJAXPPIUHDHZ-UHFFFAOYSA-N 0 0 431.565 5.388 50 0 IKAARN CC(=O)Nc1cc(-c2nc(-c3cccc(NC(=O)Nc4ccccc4C)c3)no2)ccc1C ZINC000033257581 556895677 /nfs/dbraw/zinc/89/56/77/556895677.db2.gz SRWNFORRXWDTJE-UHFFFAOYSA-N 0 0 441.491 5.623 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000033258590 556896384 /nfs/dbraw/zinc/89/63/84/556896384.db2.gz AKFSICJMYZPINS-UHFFFAOYSA-N 0 0 427.508 5.367 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C)cc1Cl ZINC000033258587 556896447 /nfs/dbraw/zinc/89/64/47/556896447.db2.gz HGYPPYWCINUXCG-UHFFFAOYSA-N 0 0 447.926 5.712 50 0 IKAARN O=C1/C(=C\c2ccc(Cl)cc2)N=C(SCc2ccc(F)cc2)N1C1CCCCC1 ZINC000016091177 556897614 /nfs/dbraw/zinc/89/76/14/556897614.db2.gz XFKAFXAKSHSZOI-KGENOOAVSA-N 0 0 428.960 6.284 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1OC ZINC000033261025 556898236 /nfs/dbraw/zinc/89/82/36/556898236.db2.gz LBWDGCYBRMXDAD-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc(OC)c1 ZINC000033261162 556898758 /nfs/dbraw/zinc/89/87/58/556898758.db2.gz OJEXSOXLGLGHQF-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261202 556898829 /nfs/dbraw/zinc/89/88/29/556898829.db2.gz DYKJUSMDKOGSSK-UHFFFAOYSA-N 0 0 428.423 5.007 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)ncn2)cc1 ZINC000033261251 556898852 /nfs/dbraw/zinc/89/88/52/556898852.db2.gz NALVGIKRQSWPNE-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN Brc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1 ZINC000033262429 556900653 /nfs/dbraw/zinc/90/06/53/556900653.db2.gz TYIMVGBIDQCSKQ-UHFFFAOYSA-N 0 0 425.311 5.248 50 0 IKAARN CCc1ccc(-c2ccc(SCc3nc(-c4ccc(OC)c(OC)c4)no3)nn2)cc1 ZINC000033262470 556900722 /nfs/dbraw/zinc/90/07/22/556900722.db2.gz KQNVIBIYLSJDTO-UHFFFAOYSA-N 0 0 434.521 5.066 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000072193894 556900771 /nfs/dbraw/zinc/90/07/71/556900771.db2.gz WHIOKINTASSRPX-DEOSSOPVSA-N 0 0 440.326 5.309 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019759993 556903903 /nfs/dbraw/zinc/90/39/03/556903903.db2.gz SRUVZJHIRTXTPI-FMIVXFBMSA-N 0 0 433.555 5.373 50 0 IKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 ZINC000019792376 556915670 /nfs/dbraw/zinc/91/56/70/556915670.db2.gz CHQDLAZWFIKCMO-UHFFFAOYSA-N 0 0 447.629 5.426 50 0 IKAARN COc1ccc(-c2nc3ccccc3nc2N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000019798562 556916793 /nfs/dbraw/zinc/91/67/93/556916793.db2.gz PORFMRQWLQSCRN-UHFFFAOYSA-N 0 0 430.939 5.285 50 0 IKAARN COc1cccc(C(=O)c2cc(C(C)=O)c3cc(-c4ccc(-c5ccccc5)cc4)ncn23)c1 ZINC000019800653 556917715 /nfs/dbraw/zinc/91/77/15/556917715.db2.gz ZSUQHDCONOZNAD-UHFFFAOYSA-N 0 0 446.506 6.111 50 0 IKAARN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000019809870 556918589 /nfs/dbraw/zinc/91/85/89/556918589.db2.gz KAUUWHPLXDOLIC-UHFFFAOYSA-N 0 0 445.331 5.263 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000019810409 556918942 /nfs/dbraw/zinc/91/89/42/556918942.db2.gz KKVALBRWGFWAGE-UHFFFAOYSA-N 0 0 439.924 5.223 50 0 IKAARN Cc1ccccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000019811024 556919121 /nfs/dbraw/zinc/91/91/21/556919121.db2.gz DTMKWMYZRUGSQP-UHFFFAOYSA-N 0 0 448.035 7.486 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)n2)cc1 ZINC000019816299 556919496 /nfs/dbraw/zinc/91/94/96/556919496.db2.gz SWJBGUVLZKJQRF-UHFFFAOYSA-N 0 0 438.940 5.783 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccccc2F)cc1 ZINC000019823057 556924640 /nfs/dbraw/zinc/92/46/40/556924640.db2.gz GUZYMCIDONJMMU-UHFFFAOYSA-N 0 0 431.580 6.972 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccccc2F)cc1 ZINC000019823046 556924651 /nfs/dbraw/zinc/92/46/51/556924651.db2.gz QTDKKEBWTVAJOH-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000019822958 556924665 /nfs/dbraw/zinc/92/46/65/556924665.db2.gz JVUKQYWCZSKVMQ-UHFFFAOYSA-N 0 0 433.508 5.365 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2F)cc1 ZINC000019822983 556924667 /nfs/dbraw/zinc/92/46/67/556924667.db2.gz NPMBHRBNLYGTMC-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000019823441 556924966 /nfs/dbraw/zinc/92/49/66/556924966.db2.gz PPKMIVVNCTVEJI-UHFFFAOYSA-N 0 0 429.549 5.184 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000019823207 556924983 /nfs/dbraw/zinc/92/49/83/556924983.db2.gz QUWZNDSDLOGSAP-UHFFFAOYSA-N 0 0 443.576 5.403 50 0 IKAARN Cc1ccc(Cn2c(CCNC(=O)Nc3cccc(Cl)c3C)nc3cccnc32)cc1 ZINC000033263732 556925051 /nfs/dbraw/zinc/92/50/51/556925051.db2.gz DPKXXBUNZDVWPF-UHFFFAOYSA-N 0 0 433.943 5.114 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2cccnc2)cc1 ZINC000019823584 556925243 /nfs/dbraw/zinc/92/52/43/556925243.db2.gz ZVTKQTURYJVVGI-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 ZINC000019824286 556925340 /nfs/dbraw/zinc/92/53/40/556925340.db2.gz JFBLLFJOFHJROD-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 ZINC000019824233 556925411 /nfs/dbraw/zinc/92/54/11/556925411.db2.gz KFKJTPQLTSDOJW-UHFFFAOYSA-N 0 0 438.940 5.474 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccco2)cc1 ZINC000019824047 556925438 /nfs/dbraw/zinc/92/54/38/556925438.db2.gz IHNBGJMCXHAFAY-UHFFFAOYSA-N 0 0 432.549 5.492 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(C)cc1 ZINC000019824727 556925642 /nfs/dbraw/zinc/92/56/42/556925642.db2.gz HENDNNBXUHZEAG-UHFFFAOYSA-N 0 0 448.617 5.906 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccco2)cc1 ZINC000019824608 556925695 /nfs/dbraw/zinc/92/56/95/556925695.db2.gz WUCAHWLKAWUXNH-UHFFFAOYSA-N 0 0 439.924 5.554 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2cccs2)cc1 ZINC000019824776 556925703 /nfs/dbraw/zinc/92/57/03/556925703.db2.gz CFVACHQTSQMOPL-UHFFFAOYSA-N 0 0 434.590 5.652 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccs2)cc1 ZINC000019824933 556925811 /nfs/dbraw/zinc/92/58/11/556925811.db2.gz QFAPJYIRBXWEKG-UHFFFAOYSA-N 0 0 439.537 5.509 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccs2)cc1 ZINC000019825027 556925911 /nfs/dbraw/zinc/92/59/11/556925911.db2.gz TWRXVDFTNPFXTE-UHFFFAOYSA-N 0 0 449.645 6.984 50 0 IKAARN Clc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Cl)cc5Cl)nn43)[nH]n2)cc1 ZINC000019827429 556925973 /nfs/dbraw/zinc/92/59/73/556925973.db2.gz PLSGVWJCBKLJHP-UHFFFAOYSA-N 0 0 447.738 5.870 50 0 IKAARN O=C(CSc1nc2ccccc2nc1N1CCCCC1)Nc1cccc2ccccc21 ZINC000019825315 556925977 /nfs/dbraw/zinc/92/59/77/556925977.db2.gz SQPPVCDUJVDIBO-UHFFFAOYSA-N 0 0 428.561 5.504 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)NCCCN2CCOCC2)c(C(C)(C)CC)c1 ZINC000019832008 556927134 /nfs/dbraw/zinc/92/71/34/556927134.db2.gz LKOLRZFAMABJAY-UHFFFAOYSA-N 0 0 446.676 5.059 50 0 IKAARN S=C(SCSc1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 ZINC000019831908 556927150 /nfs/dbraw/zinc/92/71/50/556927150.db2.gz OPAJAHVXWLMTAR-UHFFFAOYSA-N 0 0 431.677 5.182 50 0 IKAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019832309 556927338 /nfs/dbraw/zinc/92/73/38/556927338.db2.gz VHQXEEFTKPQEFF-ITMPFJHPSA-N 0 0 428.601 5.378 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)n2cnc(-c3ccco3)cc12 ZINC000019833965 556927594 /nfs/dbraw/zinc/92/75/94/556927594.db2.gz VZDUZDPSOMXBOX-UHFFFAOYSA-N 0 0 428.366 5.021 50 0 IKAARN CC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000019833971 556927653 /nfs/dbraw/zinc/92/76/53/556927653.db2.gz AQIUYFBFFREGNV-UHFFFAOYSA-N 0 0 443.502 6.271 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2cnc(-c3ccco3)cc12 ZINC000019833967 556927689 /nfs/dbraw/zinc/92/76/89/556927689.db2.gz AZMRJJJIBGNPIF-UHFFFAOYSA-N 0 0 428.366 5.021 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4ccc5c(c4)CCCC5)C[C@@H]3c3ccccc3)n2)cc1 ZINC000019851167 556930688 /nfs/dbraw/zinc/93/06/88/556930688.db2.gz TYAVABCAWKJJEF-MUUNZHRXSA-N 0 0 449.623 7.353 50 0 IKAARN Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000019860426 556932831 /nfs/dbraw/zinc/93/28/31/556932831.db2.gz YUKGQHCYKPKHPV-UHFFFAOYSA-N 0 0 439.298 6.553 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1Br)O2 ZINC000019881008 556937009 /nfs/dbraw/zinc/93/70/09/556937009.db2.gz UDAWBTGUIFEASQ-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCc1ccc(F)cc1)CO3 ZINC000019882497 556937270 /nfs/dbraw/zinc/93/72/70/556937270.db2.gz UHOPNJHVKNPIGY-UHFFFAOYSA-N 0 0 435.882 5.647 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(CCc3ccccc3F)CO2)cc1 ZINC000019882480 556937351 /nfs/dbraw/zinc/93/73/51/556937351.db2.gz BVEUEMVHXWLARL-UHFFFAOYSA-N 0 0 431.463 5.002 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c(Cl)c1 ZINC000019892147 556939774 /nfs/dbraw/zinc/93/97/74/556939774.db2.gz PNEVKSZDOBTZKD-XZOQPEGZSA-N 0 0 447.325 5.798 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000019892164 556939874 /nfs/dbraw/zinc/93/98/74/556939874.db2.gz IOTSMFPFDZENLI-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000019892161 556939896 /nfs/dbraw/zinc/93/98/96/556939896.db2.gz IOTSMFPFDZENLI-DNQXCXABSA-N 0 0 442.906 5.153 50 0 IKAARN Clc1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000019893588 556940052 /nfs/dbraw/zinc/94/00/52/556940052.db2.gz CEPQOTUQUFOCSG-XLIONFOSSA-N 0 0 435.763 6.951 50 0 IKAARN CCCCn1c2ccccc2n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=N ZINC000019900972 556941949 /nfs/dbraw/zinc/94/19/49/556941949.db2.gz WWLIKMQMTCGMJV-UHFFFAOYSA-N 0 0 435.612 5.906 50 0 IKAARN COc1ccccc1OCCn1c2ccccc2n(Cc2ccc(C(C)(C)C)cc2)c1=N ZINC000019900352 556942092 /nfs/dbraw/zinc/94/20/92/556942092.db2.gz JEVKRKKQUSRRRN-UHFFFAOYSA-N 0 0 429.564 5.356 50 0 IKAARN Cc1ccc(C(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2-c2ccccc2)cc1 ZINC000019908483 556942605 /nfs/dbraw/zinc/94/26/05/556942605.db2.gz DXHUZSKJBHPOGT-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)c1 ZINC000019912660 556943615 /nfs/dbraw/zinc/94/36/15/556943615.db2.gz XRHXGICKFIGAPT-JTHBVZDNSA-N 0 0 441.369 5.908 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019924578 556944668 /nfs/dbraw/zinc/94/46/68/556944668.db2.gz QXXFLKRMBGUMJP-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000019953736 556954388 /nfs/dbraw/zinc/95/43/88/556954388.db2.gz FBTMLLNWEFZLSO-UHFFFAOYSA-N 0 0 432.589 5.372 50 0 IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019990012 556956787 /nfs/dbraw/zinc/95/67/87/556956787.db2.gz UEHTULBMIXOWSW-UHFFFAOYSA-N 0 0 446.594 5.830 50 0 IKAARN CCCN1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020033369 556969429 /nfs/dbraw/zinc/96/94/29/556969429.db2.gz GDYIERLYIWJAAX-UHFFFAOYSA-N 0 0 447.629 5.508 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCCCn1c(-c2ccc(C)cc2)nc2cccnc21 ZINC000033263811 556972071 /nfs/dbraw/zinc/97/20/71/556972071.db2.gz AXBLLOPNFAAFAG-UHFFFAOYSA-N 0 0 449.942 5.281 50 0 IKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000033263809 556972107 /nfs/dbraw/zinc/97/21/07/556972107.db2.gz HTMCKMLAPNILQM-UHFFFAOYSA-N 0 0 433.943 5.580 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)n1 ZINC000072437200 556972720 /nfs/dbraw/zinc/97/27/20/556972720.db2.gz DCCXBDUTKBMEHF-UHFFFAOYSA-N 0 0 436.947 5.816 50 0 IKAARN CCc1cccc(NC(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c1 ZINC000072441505 556973045 /nfs/dbraw/zinc/97/30/45/556973045.db2.gz VCIJMOZAHMLNOU-UHFFFAOYSA-N 0 0 441.539 5.538 50 0 IKAARN Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2cccc(-c3ccccc3)c2n1 ZINC000033264620 556974284 /nfs/dbraw/zinc/97/42/84/556974284.db2.gz OZTNMUZVQXVDRX-UHFFFAOYSA-N 0 0 425.507 5.312 50 0 IKAARN CCCCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057527 556975082 /nfs/dbraw/zinc/97/50/82/556975082.db2.gz NWOFAAPCCXSPAV-UHFFFAOYSA-N 0 0 428.627 5.237 50 0 IKAARN CCCCCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057802 556975383 /nfs/dbraw/zinc/97/53/83/556975383.db2.gz FFKXHSBQGYHWNL-UHFFFAOYSA-N 0 0 442.654 5.627 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020058921 556975543 /nfs/dbraw/zinc/97/55/43/556975543.db2.gz NRPXUQNFIIKJER-OSPHWJPCSA-N 0 0 443.478 5.654 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000033265374 556975516 /nfs/dbraw/zinc/97/55/16/556975516.db2.gz FDEHIBKZQVSSSP-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000033265376 556975546 /nfs/dbraw/zinc/97/55/46/556975546.db2.gz JRHMHASMEANIKM-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(C)ccc1OC)CCCC3 ZINC000033265539 556976086 /nfs/dbraw/zinc/97/60/86/556976086.db2.gz CZWMKPSLEGKJGW-FQEVSTJZSA-N 0 0 435.593 6.233 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(C)ccc1OC)CCCC3 ZINC000033265540 556976196 /nfs/dbraw/zinc/97/61/96/556976196.db2.gz CZWMKPSLEGKJGW-HXUWFJFHSA-N 0 0 435.593 6.233 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1CC)CCCC3 ZINC000033265529 556976211 /nfs/dbraw/zinc/97/62/11/556976211.db2.gz GIFFRARLHQXGDA-FQEVSTJZSA-N 0 0 435.593 6.315 50 0 IKAARN Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)Nc5ccc(F)cc5)CC4)nccn3n2)c1 ZINC000033266591 556977384 /nfs/dbraw/zinc/97/73/84/556977384.db2.gz PNPLPPMXRHBKCK-UHFFFAOYSA-N 0 0 443.526 5.007 50 0 IKAARN CCCCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020064603 556978095 /nfs/dbraw/zinc/97/80/95/556978095.db2.gz YDWVMBATVQQFIK-UHFFFAOYSA-N 0 0 439.629 5.683 50 0 IKAARN CCCN(CCC)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020065904 556978098 /nfs/dbraw/zinc/97/80/98/556978098.db2.gz JRQHUGOCIQFNLS-UHFFFAOYSA-N 0 0 439.629 5.317 50 0 IKAARN CCc1noc(CSC2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)n1 ZINC000096983445 556978355 /nfs/dbraw/zinc/97/83/55/556978355.db2.gz CUSIYFKXPDBUMA-KGENOOAVSA-N 0 0 446.576 5.741 50 0 IKAARN COc1ccc(-c2c(C)nn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc1OC ZINC000020070530 556978539 /nfs/dbraw/zinc/97/85/39/556978539.db2.gz ZDFMCPDGRIMSPZ-UHFFFAOYSA-N 0 0 427.426 5.716 50 0 IKAARN COc1ccc(C(=O)[C@H](OC(=O)CCC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000020095144 556979224 /nfs/dbraw/zinc/97/92/24/556979224.db2.gz BOBUFMALGXBEHO-HHHXNRCGSA-N 0 0 445.515 5.198 50 0 IKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000020103066 556980663 /nfs/dbraw/zinc/98/06/63/556980663.db2.gz ZTAXZNJHIDDNOR-UHFFFAOYSA-N 0 0 445.371 6.118 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3ccccc3)c2c1 ZINC000013468065 556981880 /nfs/dbraw/zinc/98/18/80/556981880.db2.gz HYDNBFPCWFADEW-UHFFFAOYSA-N 0 0 435.618 5.988 50 0 aggregator IKAARN COc1cccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)c(OC)c2)c1 ZINC000033267753 556982156 /nfs/dbraw/zinc/98/21/56/556982156.db2.gz CVKXUPXNFIKKSJ-NRFANRHFSA-N 0 0 445.519 5.147 50 0 IKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1cccnc1)Nc1cccc(Br)c1 ZINC000033267711 556982177 /nfs/dbraw/zinc/98/21/77/556982177.db2.gz STYWHXWKLAKZFE-IBGZPJMESA-N 0 0 435.325 5.279 50 0 IKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1ccc(Cl)cc1 ZINC000033267966 556982344 /nfs/dbraw/zinc/98/23/44/556982344.db2.gz RRGCEYOZKUQDGI-UHFFFAOYSA-N 0 0 441.021 6.789 50 0 IKAARN Cc1cccc2nc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc(=O)n12 ZINC000071793878 556983794 /nfs/dbraw/zinc/98/37/94/556983794.db2.gz FBNPJOASMTYWKH-UHFFFAOYSA-N 0 0 425.513 5.617 50 0 IKAARN FC(F)(F)c1c2c(nn1-c1nc(-c3ccc(Br)cc3)cs1)CCCC2 ZINC000015862744 556985634 /nfs/dbraw/zinc/98/56/34/556985634.db2.gz JVLNOTOAXPVUFN-UHFFFAOYSA-N 0 0 428.277 5.656 50 0 IKAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033269034 556987068 /nfs/dbraw/zinc/98/70/68/556987068.db2.gz KEBZGADZHYFDGN-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN CCN(CC)c1ccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1 ZINC000020113971 556987096 /nfs/dbraw/zinc/98/70/96/556987096.db2.gz HAUFXZIHBFJFMS-UHFFFAOYSA-N 0 0 430.596 5.878 50 0 IKAARN CCOc1ccc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1 ZINC000020123478 556987382 /nfs/dbraw/zinc/98/73/82/556987382.db2.gz HTRPNLQLXNLSTB-UHFFFAOYSA-N 0 0 441.527 6.100 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccc(F)c2)o1 ZINC000097105806 556987933 /nfs/dbraw/zinc/98/79/33/556987933.db2.gz CYTMUXWOBITLCR-LJQANCHMSA-N 0 0 427.273 5.481 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)o1 ZINC000023054889 556988775 /nfs/dbraw/zinc/98/87/75/556988775.db2.gz OYJAFIUKYRVLHE-LJQANCHMSA-N 0 0 449.557 5.610 50 0 IKAARN CCOC(=O)c1oc2ccccc2c1CSc1nnc(-c2ccccc2OC)n1CC ZINC000023055177 556988990 /nfs/dbraw/zinc/98/89/90/556988990.db2.gz VAFORXZBKZIQBD-UHFFFAOYSA-N 0 0 437.521 5.189 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097111573 556990275 /nfs/dbraw/zinc/99/02/75/556990275.db2.gz IGXSRPUDPLSOIL-KRWDZBQOSA-N 0 0 441.413 5.189 50 0 IKAARN Cc1ccc([C@H](C)N(C(=O)CCc2c(C)nc3ncnn3c2C)c2cc(C)ccc2F)cc1 ZINC000097163203 556994150 /nfs/dbraw/zinc/99/41/50/556994150.db2.gz CIMCHJXCERKPSX-IBGZPJMESA-N 0 0 445.542 5.224 50 0 IKAARN CCOC(=O)c1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020169008 556994625 /nfs/dbraw/zinc/99/46/25/556994625.db2.gz GJJHSDBCUPGNNE-OAQYLSRUSA-N 0 0 433.895 5.768 50 0 IKAARN O=C(c1ccc(Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)cc1)N1CCOCC1 ZINC000097165835 556994751 /nfs/dbraw/zinc/99/47/51/556994751.db2.gz BQNHISHWGZDULP-UHFFFAOYSA-N 0 0 444.922 5.166 50 0 IKAARN CCOc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020176838 556995376 /nfs/dbraw/zinc/99/53/76/556995376.db2.gz RVTDKPANYPKXCE-OAQYLSRUSA-N 0 0 448.910 5.700 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nn2)c(C)c1C ZINC000077134108 556996272 /nfs/dbraw/zinc/99/62/72/556996272.db2.gz FUVYSQWXQDWAJX-UHFFFAOYSA-N 0 0 446.942 5.166 50 0 IKAARN COc1ccc(NC(=O)NC2(c3nc(-c4ccsc4)no3)CCCCC2)cc1Cl ZINC000077197577 556996763 /nfs/dbraw/zinc/99/67/63/556996763.db2.gz BPWMIYFJEPNZKC-UHFFFAOYSA-N 0 0 432.933 5.441 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)N(CCc3cccs3)Cc3cccs3)o2)cc1 ZINC000023080764 556998132 /nfs/dbraw/zinc/99/81/32/556998132.db2.gz LUPHMYGFXKDNTH-UHFFFAOYSA-N 0 0 435.570 6.157 50 0 IKAARN CCCCSc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 ZINC000023080933 556998145 /nfs/dbraw/zinc/99/81/45/556998145.db2.gz UGKUIAXXKQWIMV-UHFFFAOYSA-N 0 0 445.639 5.224 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC([C@@H](O)c2cccs2)CC1 ZINC000020208173 556998344 /nfs/dbraw/zinc/99/83/44/556998344.db2.gz GVBCOOOEUMHINK-HXUWFJFHSA-N 0 0 436.499 5.676 50 0 IKAARN CCOC(=O)c1c(C[S@@](=O)Cc2ccc(Cl)cc2)oc2c1c(F)c(F)c(F)c2F ZINC000020223857 557000651 /nfs/dbraw/zinc/00/06/51/557000651.db2.gz KKGZHSAMQSXWQL-GDLZYMKVSA-N 0 0 448.821 5.268 50 0 IKAARN COc1cc([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 ZINC000020228685 557001371 /nfs/dbraw/zinc/00/13/71/557001371.db2.gz OEDFWOKQVJHDQD-XCIGCYOISA-N 0 0 444.527 6.149 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)Nc2cccnc2N2CCC(C(F)(F)F)CC2)c1 ZINC000020230227 557001760 /nfs/dbraw/zinc/00/17/60/557001760.db2.gz HLGOCVRBFUTRCJ-UHFFFAOYSA-N 0 0 448.436 5.688 50 0 IKAARN CCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OC(C)C)cc2)oc1C ZINC000023119033 557006689 /nfs/dbraw/zinc/00/66/89/557006689.db2.gz WJCLKJIOJDXBDM-UHFFFAOYSA-N 0 0 435.549 5.459 50 0 IKAARN CCSc1nc2n(n1)[C@H](c1ccc(CC)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000023118787 557006769 /nfs/dbraw/zinc/00/67/69/557006769.db2.gz PCLQZXKRNNKGEO-OAQYLSRUSA-N 0 0 433.581 5.189 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccccc2OC)c1 ZINC000020352954 557009524 /nfs/dbraw/zinc/00/95/24/557009524.db2.gz MMYBYKDFHMNDJT-RUZDIDTESA-N 0 0 432.520 5.259 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ccc(F)cc2F)c1C ZINC000020356121 557010235 /nfs/dbraw/zinc/01/02/35/557010235.db2.gz VXILXPNXBDZABM-UHFFFAOYSA-N 0 0 426.463 5.256 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ccc(Cl)cc2F)c1C ZINC000020356148 557010286 /nfs/dbraw/zinc/01/02/86/557010286.db2.gz KNQYNVJBZRUNQE-UHFFFAOYSA-N 0 0 442.918 5.770 50 0 IKAARN COc1ccc(C)cc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020357195 557011066 /nfs/dbraw/zinc/01/10/66/557011066.db2.gz BHIHUEJOAXRQQP-OAQYLSRUSA-N 0 0 448.910 5.618 50 0 IKAARN Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1cccc(Cl)c1 ZINC000023126816 557011365 /nfs/dbraw/zinc/01/13/65/557011365.db2.gz NWXOXUBGAFFEBQ-UHFFFAOYSA-N 0 0 431.746 5.782 50 0 IKAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(Cl)cc3)n2)cc1 ZINC000023126898 557011672 /nfs/dbraw/zinc/01/16/72/557011672.db2.gz ZTCIYAISWYZCOS-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000023127054 557011830 /nfs/dbraw/zinc/01/18/30/557011830.db2.gz JFTVYABCNPZPFE-UHFFFAOYSA-N 0 0 441.965 5.046 50 0 IKAARN Cc1ccc(CNC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020367309 557011929 /nfs/dbraw/zinc/01/19/29/557011929.db2.gz DDRVSJTWNIVYOJ-OAQYLSRUSA-N 0 0 432.911 5.287 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000020367723 557012237 /nfs/dbraw/zinc/01/22/37/557012237.db2.gz SISSIOUECFLRBO-HHHXNRCGSA-N 0 0 425.532 5.071 50 0 biogenic,in-vitro IKAARN Cc1c2cc(Cl)c3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccccc1)CO3 ZINC000020412264 557014109 /nfs/dbraw/zinc/01/41/09/557014109.db2.gz FABFAEJWUINTGQ-UHFFFAOYSA-N 0 0 431.919 5.698 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1CN1CCOCC1 ZINC000020414211 557014462 /nfs/dbraw/zinc/01/44/62/557014462.db2.gz OKEIHGGDKIPOAU-UHFFFAOYSA-N 0 0 437.543 5.318 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1 ZINC000020417566 557014496 /nfs/dbraw/zinc/01/44/96/557014496.db2.gz IJAYMYFBFYGNAN-UHFFFAOYSA-N 0 0 432.549 5.307 50 0 IKAARN CCn1c2cc(NC(=O)Nc3cccc(Cl)c3C)c(N3CCCC3)cc2n(CC)c1=O ZINC000045994428 557014663 /nfs/dbraw/zinc/01/46/63/557014663.db2.gz UJVUGMBCKIOYSH-UHFFFAOYSA-N 0 0 441.963 5.049 50 0 IKAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2)Nc1cccc2ccccc21 ZINC000045994551 557014810 /nfs/dbraw/zinc/01/48/10/557014810.db2.gz JWIWPNLKMJCEGD-UHFFFAOYSA-N 0 0 447.494 5.127 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCCOc3ccccc3)cc(C(F)(F)F)c12 ZINC000045995434 557015117 /nfs/dbraw/zinc/01/51/17/557015117.db2.gz QLRGVCVBVYGLBA-UHFFFAOYSA-N 0 0 427.426 5.514 50 0 IKAARN COc1cccc(COc2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)c1 ZINC000045995411 557015182 /nfs/dbraw/zinc/01/51/82/557015182.db2.gz WEBVEKYEYYCRNQ-UHFFFAOYSA-N 0 0 427.426 5.644 50 0 IKAARN Cc1nn(C)c2nc(OCc3ccc(Br)cc3F)cc(-c3ccccc3)c12 ZINC000045995234 557015187 /nfs/dbraw/zinc/01/51/87/557015187.db2.gz ZLBONBWZMZEISU-UHFFFAOYSA-N 0 0 426.289 5.424 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3nc(-c4ccc(C)cc4)oc3C)cc(C)c12 ZINC000045995105 557015214 /nfs/dbraw/zinc/01/52/14/557015214.db2.gz RBHDMPAGTLVVJS-UHFFFAOYSA-N 0 0 442.494 6.027 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3ccccc3)cc(C(F)(F)F)c12 ZINC000045995559 557015428 /nfs/dbraw/zinc/01/54/28/557015428.db2.gz SNXIECNADKYOGB-UHFFFAOYSA-N 0 0 431.845 6.289 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3cccc(C(F)(F)F)c3)cc(C)c12 ZINC000045995657 557015450 /nfs/dbraw/zinc/01/54/50/557015450.db2.gz NUHVRHOFAFEWIO-UHFFFAOYSA-N 0 0 445.872 6.597 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3nc(-c4cccs4)oc3C)cc(C)c12 ZINC000045995479 557015555 /nfs/dbraw/zinc/01/55/55/557015555.db2.gz ZIYNXAJIBNGIDR-UHFFFAOYSA-N 0 0 430.533 5.950 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011264143 557015739 /nfs/dbraw/zinc/01/57/39/557015739.db2.gz YHYINTPNDDIVFC-UHFFFAOYSA-N 0 0 445.592 5.194 50 0 IKAARN FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2nc3ccccc3s2)cc1 ZINC000020432024 557016507 /nfs/dbraw/zinc/01/65/07/557016507.db2.gz CRHQIMCBVKBMLC-NRFANRHFSA-N 0 0 446.519 6.404 50 0 IKAARN CCOc1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccc(CC)cc4)c3n2)cc1 ZINC000045990668 557016485 /nfs/dbraw/zinc/01/64/85/557016485.db2.gz VARZRKUQXUWRGE-UHFFFAOYSA-N 0 0 444.535 5.016 50 0 IKAARN FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccc3c(c2)CCO3)cc1 ZINC000020432023 557016597 /nfs/dbraw/zinc/01/65/97/557016597.db2.gz ZJAGZDMDUITZRK-JOCHJYFZSA-N 0 0 431.479 5.729 50 0 IKAARN O=C(C[C@H]1c2ccccc2Sc2ccc(Cl)cc21)NCCc1c[nH]c2ccccc12 ZINC000020436626 557016637 /nfs/dbraw/zinc/01/66/37/557016637.db2.gz IHSOKIWXUDCYHL-FQEVSTJZSA-N 0 0 432.976 6.167 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N(CC)Cc2ccccc2)cc3C)cc1 ZINC000045990755 557016739 /nfs/dbraw/zinc/01/67/39/557016739.db2.gz QKXATGHDGDHOHK-UHFFFAOYSA-N 0 0 442.563 5.027 50 0 IKAARN Fc1ccc(NC(=S)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000020438019 557016861 /nfs/dbraw/zinc/01/68/61/557016861.db2.gz QQBDMUPATHSDRI-QHCPKHFHSA-N 0 0 439.987 5.583 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCN(C)C3 ZINC000020440098 557016979 /nfs/dbraw/zinc/01/69/79/557016979.db2.gz FGSQENOSEDQNLO-UHFFFAOYSA-N 0 0 434.030 5.227 50 0 IKAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)cc(-c3ccccc3)c12 ZINC000045992026 557017634 /nfs/dbraw/zinc/01/76/34/557017634.db2.gz MBBKSTGGQCJMTA-INIZCTEOSA-N 0 0 434.927 5.312 50 0 IKAARN O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010689566 557017731 /nfs/dbraw/zinc/01/77/31/557017731.db2.gz CDUGTELWNHGOKY-QHCPKHFHSA-N 0 0 437.568 5.782 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(CC)c3n2)cc1 ZINC000045992278 557017862 /nfs/dbraw/zinc/01/78/62/557017862.db2.gz OPQPXOLYGYWEEU-SFHVURJKSA-N 0 0 428.536 5.395 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1cc(C)ccc1C)cc2-c1ccccc1 ZINC000045992332 557017880 /nfs/dbraw/zinc/01/78/80/557017880.db2.gz QZHHMTCKOQFCGZ-LJQANCHMSA-N 0 0 428.536 5.449 50 0 IKAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccc(C)c(C)c3)cc(=O)n2o1 ZINC000046012554 557018759 /nfs/dbraw/zinc/01/87/59/557018759.db2.gz GPQOJGGDNXIZIJ-UHFFFAOYSA-N 0 0 434.521 5.149 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 ZINC000010695301 557018846 /nfs/dbraw/zinc/01/88/46/557018846.db2.gz NSMMFURUZBXPOM-UHFFFAOYSA-N 0 0 428.560 5.071 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000046012545 557018818 /nfs/dbraw/zinc/01/88/18/557018818.db2.gz NOEYVEUMSBSUNL-UHFFFAOYSA-N 0 0 442.828 5.859 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000046012618 557019122 /nfs/dbraw/zinc/01/91/22/557019122.db2.gz MSPBCVBNTAAZBW-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2C)c(C)c1CCC(=O)NC1CCCCC1 ZINC000046006065 557019425 /nfs/dbraw/zinc/01/94/25/557019425.db2.gz DGZRMZGNBBKCHU-UHFFFAOYSA-N 0 0 434.584 5.126 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)c1 ZINC000046016849 557019662 /nfs/dbraw/zinc/01/96/62/557019662.db2.gz OEELZWYZGGUBKW-UHFFFAOYSA-N 0 0 444.940 5.421 50 0 IKAARN CCc1cc(OCC(=O)Nc2cccc(Cl)c2C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046016959 557020106 /nfs/dbraw/zinc/02/01/06/557020106.db2.gz JLKZDXZOLDTGJT-UHFFFAOYSA-N 0 0 448.954 5.579 50 0 IKAARN CCc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017033 557020127 /nfs/dbraw/zinc/02/01/27/557020127.db2.gz VZQHEGCRRUGRKG-UHFFFAOYSA-N 0 0 442.563 5.741 50 0 IKAARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 ZINC000001435850 557020989 /nfs/dbraw/zinc/02/09/89/557020989.db2.gz VXVCAXJSVUXFOO-JOCHJYFZSA-N 0 0 433.891 5.440 50 0 IKAARN CC[C@H](C(=O)N(Cc1nc2nc(C)cc(C)n2n1)c1ccc(Cl)cc1)c1ccccc1 ZINC000046020674 557021058 /nfs/dbraw/zinc/02/10/58/557021058.db2.gz ZLJPPCBGRJUKAS-NRFANRHFSA-N 0 0 433.943 5.122 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000046020775 557021264 /nfs/dbraw/zinc/02/12/64/557021264.db2.gz MMJIIWDDXHTHBQ-JOCHJYFZSA-N 0 0 446.551 6.056 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1cccc(Cl)c1 ZINC000046022368 557021923 /nfs/dbraw/zinc/02/19/23/557021923.db2.gz DAWKAKKSVWBXID-UHFFFAOYSA-N 0 0 432.014 6.025 50 0 IKAARN CCOc1ccccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022372 557021933 /nfs/dbraw/zinc/02/19/33/557021933.db2.gz JTCMBQGJRVQRED-UHFFFAOYSA-N 0 0 427.595 5.380 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1Cl ZINC000046022336 557021977 /nfs/dbraw/zinc/02/19/77/557021977.db2.gz HJSYEUVKKMSTHN-UHFFFAOYSA-N 0 0 433.986 5.254 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1 ZINC000046022328 557021994 /nfs/dbraw/zinc/02/19/94/557021994.db2.gz ZGOQMQAMQOWDAE-UHFFFAOYSA-N 0 0 427.595 5.380 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000046022431 557022261 /nfs/dbraw/zinc/02/22/61/557022261.db2.gz DWRWJWBUQAGUHZ-UHFFFAOYSA-N 0 0 435.977 5.774 50 0 IKAARN CCOc1ccccc1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 ZINC000046022374 557022288 /nfs/dbraw/zinc/02/22/88/557022288.db2.gz WDZDFQZOPXQVQR-UHFFFAOYSA-N 0 0 441.622 5.770 50 0 IKAARN COc1cc(OC)c(Nc2c3c(nc4nc(-c5ccc(C)cc5)nn42)CCCC3)cc1Cl ZINC000046022822 557022547 /nfs/dbraw/zinc/02/25/47/557022547.db2.gz DPRUDOGTMHEPLE-UHFFFAOYSA-N 0 0 449.942 5.393 50 0 IKAARN FC(F)(F)Oc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)cc1 ZINC000046022814 557022613 /nfs/dbraw/zinc/02/26/13/557022613.db2.gz BKUMUQLHDYUZMS-UHFFFAOYSA-N 0 0 425.414 5.312 50 0 IKAARN Cc1ccc(-c2nc3nc4c(c(Nc5ccc(Br)c(C)c5)n3n2)CCCC4)cc1 ZINC000046022820 557022693 /nfs/dbraw/zinc/02/26/93/557022693.db2.gz HMOBBQMEWIFDEW-UHFFFAOYSA-N 0 0 448.368 5.793 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000043220755 557022828 /nfs/dbraw/zinc/02/28/28/557022828.db2.gz FUSHKWNRXGDDCF-HSZRJFAPSA-N 0 0 447.560 6.069 50 0 IKAARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c(Br)c1 ZINC000010741206 557023244 /nfs/dbraw/zinc/02/32/44/557023244.db2.gz UEHNJICLDHEHLH-UHFFFAOYSA-N 0 0 426.339 5.315 50 0 IKAARN COc1ccc(NC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)c(OC)c1 ZINC000043220804 557023407 /nfs/dbraw/zinc/02/34/07/557023407.db2.gz KQTVXNKYRQKEEZ-UHFFFAOYSA-N 0 0 432.929 5.262 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)oc21 ZINC000010748080 557023601 /nfs/dbraw/zinc/02/36/01/557023601.db2.gz RWSVGWXRLWTEEG-UHFFFAOYSA-N 0 0 440.524 6.336 50 0 IKAARN CCCCCOc1cccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1 ZINC000010748050 557023667 /nfs/dbraw/zinc/02/36/67/557023667.db2.gz LVJZWESELPYPIN-UHFFFAOYSA-N 0 0 436.533 6.386 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)CSc4ccc(Cl)cc4)n3)oc21 ZINC000010748738 557024042 /nfs/dbraw/zinc/02/40/42/557024042.db2.gz CNQFLDVHRZKMBY-UHFFFAOYSA-N 0 0 430.938 5.949 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cc5ccccc5oc4=O)n3)oc21 ZINC000010749744 557024463 /nfs/dbraw/zinc/02/44/63/557024463.db2.gz HKCGHYKQYXLADF-UHFFFAOYSA-N 0 0 432.457 5.314 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043801 557025109 /nfs/dbraw/zinc/02/51/09/557025109.db2.gz RUQMOHVJJDOVOA-AWEZNQCLSA-N 0 0 444.375 5.215 50 0 IKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000046044993 557025401 /nfs/dbraw/zinc/02/54/01/557025401.db2.gz LPNTUKDFQFNOMX-IBGZPJMESA-N 0 0 440.465 5.278 50 0 IKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056536 557028379 /nfs/dbraw/zinc/02/83/79/557028379.db2.gz JRGYHJPGVHXVHQ-HXUWFJFHSA-N 0 0 429.907 5.604 50 0 IKAARN Cc1nn(-c2cccc(C)c2C)c2c1C(=C(O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046057326 557029061 /nfs/dbraw/zinc/02/90/61/557029061.db2.gz HWGQMTPAAGSRMA-QHCPKHFHSA-N 0 0 441.575 6.154 50 0 IKAARN COC(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(cccc3SC)s2)cc1 ZINC000010820475 557029495 /nfs/dbraw/zinc/02/94/95/557029495.db2.gz PVZKYWHAJMHJPN-UHFFFAOYSA-N 0 0 438.530 5.245 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCCCCC4)cc3c2)cc1 ZINC000046058717 557029576 /nfs/dbraw/zinc/02/95/76/557029576.db2.gz COGGGDBYCUJNHH-UHFFFAOYSA-N 0 0 442.606 5.051 50 0 IKAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000408525632 557030078 /nfs/dbraw/zinc/03/00/78/557030078.db2.gz LXHATTFCJWHYEC-OAQYLSRUSA-N 0 0 445.371 5.842 50 0 IKAARN COC(=O)c1sc(-c2ccccc2)c2c1NC(=O)C2(c1ccccc1)c1ccccc1 ZINC000408525782 557030134 /nfs/dbraw/zinc/03/01/34/557030134.db2.gz FOIAFJKARZBKNS-UHFFFAOYSA-N 0 0 425.509 5.488 50 0 IKAARN O=C(Nc1c(F)cc(Br)cc1Cl)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000408516089 557030199 /nfs/dbraw/zinc/03/01/99/557030199.db2.gz MZGVSERZINLHMO-AWEZNQCLSA-N 0 0 428.685 5.052 50 0 IKAARN O=C(Nc1ncc(Br)c(Cl)c1Br)c1ccnc2ccccc21 ZINC000408517049 557030245 /nfs/dbraw/zinc/03/02/45/557030245.db2.gz XDJNAZHVDQBYLC-UHFFFAOYSA-N 0 0 441.510 5.061 50 0 IKAARN Cc1nc2sc([C@H](c3ccc(C)cc3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023156867 557032004 /nfs/dbraw/zinc/03/20/04/557032004.db2.gz RRVLWINJGQOKEA-QFIPXVFZSA-N 0 0 432.593 5.157 50 0 IKAARN CC(=O)N(c1nc(COC(=O)/C=C/c2csc(C)n2)cs1)c1c(C)cc(C)cc1C ZINC000010827754 557032095 /nfs/dbraw/zinc/03/20/95/557032095.db2.gz JKKUVPAWVXMYJE-VOTSOKGWSA-N 0 0 441.578 5.274 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(Br)ccc2F)cc1 ZINC000046076375 557032400 /nfs/dbraw/zinc/03/24/00/557032400.db2.gz SXZOXYLBRLKJNU-HNNXBMFYSA-N 0 0 432.314 5.799 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000046076323 557032499 /nfs/dbraw/zinc/03/24/99/557032499.db2.gz HYWRIGPPXWQCAY-LJQANCHMSA-N 0 0 437.561 5.941 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OCC ZINC000046076631 557032702 /nfs/dbraw/zinc/03/27/02/557032702.db2.gz YEHGTZWNWJVSFQ-QGZVFWFLSA-N 0 0 425.525 6.216 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2ccccc2NC3=O)c(C)c1 ZINC000046077670 557033241 /nfs/dbraw/zinc/03/32/41/557033241.db2.gz VNIHFJWDODORTI-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)c3c(C)cc(C)cc3C)ccc1O2 ZINC000046077631 557033267 /nfs/dbraw/zinc/03/32/67/557033267.db2.gz FSFRKFGXQRAVKI-UHFFFAOYSA-N 0 0 436.533 5.103 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2cc(C)ccc2NC3=O)cc1 ZINC000046077543 557033286 /nfs/dbraw/zinc/03/32/86/557033286.db2.gz JVWGFOGPBOBKDB-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078434 557033516 /nfs/dbraw/zinc/03/35/16/557033516.db2.gz JORCJYGJTTWLPH-UHFFFAOYSA-N 0 0 435.321 5.294 50 0 IKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Br)ccc32)cc1 ZINC000046078565 557033536 /nfs/dbraw/zinc/03/35/36/557033536.db2.gz JWRMPBJFBGWZPV-UHFFFAOYSA-N 0 0 449.348 5.603 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000046078709 557033582 /nfs/dbraw/zinc/03/35/82/557033582.db2.gz BKKBKLHRKYEFAH-UHFFFAOYSA-N 0 0 434.923 5.502 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000046078811 557033866 /nfs/dbraw/zinc/03/38/66/557033866.db2.gz CHHPMSIKMHKUGT-UHFFFAOYSA-N 0 0 432.907 5.388 50 0 IKAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(C)cc4)C3=O)cc2)c1 ZINC000046079446 557034340 /nfs/dbraw/zinc/03/43/40/557034340.db2.gz GOWMTJYZWOANCO-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(C)cc4)C3=O)cc2)cc1 ZINC000046079440 557034382 /nfs/dbraw/zinc/03/43/82/557034382.db2.gz ORFAPKNUAWONTI-UHFFFAOYSA-N 0 0 441.531 5.282 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000046079454 557034410 /nfs/dbraw/zinc/03/44/10/557034410.db2.gz JLENEJAUMZMZGG-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3C)C2=O)cc1 ZINC000046079383 557034440 /nfs/dbraw/zinc/03/44/40/557034440.db2.gz KZVQLGQFVPFNOB-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3C)C2=O)cc1 ZINC000046079436 557034448 /nfs/dbraw/zinc/03/44/48/557034448.db2.gz OJWFRTXHXXWENA-UHFFFAOYSA-N 0 0 441.531 5.282 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)N4CCc5ccccc54)cc3)C2=O)c1 ZINC000046079506 557034578 /nfs/dbraw/zinc/03/45/78/557034578.db2.gz BSXUHZLXSGIQSF-UHFFFAOYSA-N 0 0 425.532 5.030 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3cccc(C)c3)C2=O)cc1 ZINC000046079500 557034654 /nfs/dbraw/zinc/03/46/54/557034654.db2.gz DYOWWFWSGOBQBQ-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000046079539 557034688 /nfs/dbraw/zinc/03/46/88/557034688.db2.gz VQCRFZWAKDNBIJ-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079746 557034951 /nfs/dbraw/zinc/03/49/51/557034951.db2.gz IEHRJQJZXNXMPH-UHFFFAOYSA-N 0 0 435.543 5.278 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)no2)cc1OC ZINC000046086849 557035957 /nfs/dbraw/zinc/03/59/57/557035957.db2.gz WCTHROUJQLLFRK-AWEZNQCLSA-N 0 0 441.553 5.219 50 0 IKAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc2ccccc2cc1OCC ZINC000016962705 557036727 /nfs/dbraw/zinc/03/67/27/557036727.db2.gz UXRDIPHSCKTZCW-UHFFFAOYSA-N 0 0 449.938 5.181 50 0 IKAARN CCOc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc(OCC)c1OCC ZINC000017206868 557038551 /nfs/dbraw/zinc/03/85/51/557038551.db2.gz SCUHQTZCAJGBLG-UHFFFAOYSA-N 0 0 447.944 5.307 50 0 IKAARN O=C(Cn1cc(SCc2cccc(C(F)(F)F)c2)c2ccccc21)N1CCCCC1 ZINC000017200894 557040449 /nfs/dbraw/zinc/04/04/49/557040449.db2.gz FEEDTROIHNDSIQ-UHFFFAOYSA-N 0 0 432.511 5.965 50 0 IKAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000017201262 557041117 /nfs/dbraw/zinc/04/11/17/557041117.db2.gz PUAQPKJOERTURH-UHFFFAOYSA-N 0 0 442.949 5.029 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc(Br)s1 ZINC000032947412 557041944 /nfs/dbraw/zinc/04/19/44/557041944.db2.gz QCCFFHPRDGQMIG-UHFFFAOYSA-N 0 0 449.395 5.311 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000010866552 557044219 /nfs/dbraw/zinc/04/42/19/557044219.db2.gz JSBWBGHEEXWXGK-NRFANRHFSA-N 0 0 428.557 5.640 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000046146412 557044578 /nfs/dbraw/zinc/04/45/78/557044578.db2.gz JPJOFOJJABBAIF-UHFFFAOYSA-N 0 0 446.913 5.652 50 0 IKAARN CC[C@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C)c1ccccc1 ZINC000010869325 557044555 /nfs/dbraw/zinc/04/45/55/557044555.db2.gz ONWIJCVUXHIFLN-MRXNPFEDSA-N 0 0 444.000 5.033 50 0 IKAARN CCN1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288775 557045775 /nfs/dbraw/zinc/04/57/75/557045775.db2.gz GBHHXKRFQRHGFO-UHFFFAOYSA-N 0 0 449.601 5.420 50 0 IKAARN Cc1ccccc1CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000032948322 557045907 /nfs/dbraw/zinc/04/59/07/557045907.db2.gz VPOUUSDIVNEQRS-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN Clc1ccc2c(c1)[C@@H](c1ccccc1)Nc1ccc(Cl)cc1[C@@H](c1ccccc1)N2 ZINC000023190957 557046430 /nfs/dbraw/zinc/04/64/30/557046430.db2.gz VMAFQGYDGSQDGZ-CLJLJLNGSA-N 0 0 431.366 7.710 50 0 IKAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)on1 ZINC000033269960 557047374 /nfs/dbraw/zinc/04/73/74/557047374.db2.gz BORHKEXFEWVXBA-QGZVFWFLSA-N 0 0 430.302 5.193 50 0 IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000048237883 557047993 /nfs/dbraw/zinc/04/79/93/557047993.db2.gz RCXAFJVTZHDEEV-AWEZNQCLSA-N 0 0 428.554 5.701 50 0 IKAARN CSc1nnc(CCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1C1CCCC1 ZINC000048249541 557048598 /nfs/dbraw/zinc/04/85/98/557048598.db2.gz FAONCNOGHTVCDC-PKNBQFBNSA-N 0 0 439.412 5.184 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4[nH]3)no2)cc1C ZINC000033271004 557048658 /nfs/dbraw/zinc/04/86/58/557048658.db2.gz ZXDISNBBZTVWRL-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)ccc1OC(C)C ZINC000033271261 557048924 /nfs/dbraw/zinc/04/89/24/557048924.db2.gz XMYJYKAYVRHYTD-MRXNPFEDSA-N 0 0 448.548 5.060 50 0 IKAARN CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271541 557049463 /nfs/dbraw/zinc/04/94/63/557049463.db2.gz SLFQJQZNFOZGTG-GOSISDBHSA-N 0 0 432.549 5.362 50 0 IKAARN CCCN(CCC)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(OCC)cc2)n1 ZINC000017271735 557049433 /nfs/dbraw/zinc/04/94/33/557049433.db2.gz HMKDGGVOXAJJAS-UHFFFAOYSA-N 0 0 430.556 5.584 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(OCC)c3)sc2c1 ZINC000033271721 557049800 /nfs/dbraw/zinc/04/98/00/557049800.db2.gz BDWCUBSBYDEHNU-GOSISDBHSA-N 0 0 448.548 5.062 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc4ccccc43)sc2c1 ZINC000033271634 557049818 /nfs/dbraw/zinc/04/98/18/557049818.db2.gz XKCPZDHARXTCHD-LJQANCHMSA-N 0 0 440.528 5.426 50 0 IKAARN CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)c1 ZINC000033271650 557049821 /nfs/dbraw/zinc/04/98/21/557049821.db2.gz GHXRRBWUEXFZRI-SFHVURJKSA-N 0 0 448.548 5.062 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(C)ccc3C)sc2c1 ZINC000033271670 557049845 /nfs/dbraw/zinc/04/98/45/557049845.db2.gz OHICEXPZPMFCBH-GOSISDBHSA-N 0 0 432.549 5.280 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033272045 557050783 /nfs/dbraw/zinc/05/07/83/557050783.db2.gz SXVYCXVHRRIZJB-UHFFFAOYSA-N 0 0 434.561 5.485 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1OC ZINC000017302413 557051060 /nfs/dbraw/zinc/05/10/60/557051060.db2.gz PHVVYEBAQIQMHQ-UHFFFAOYSA-N 0 0 441.487 5.130 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000048272423 557050991 /nfs/dbraw/zinc/05/09/91/557050991.db2.gz AFZUTMCKOPVXAQ-FQEVSTJZSA-N 0 0 430.335 5.560 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)NCCC1=CCCCC1 ZINC000033273869 557053182 /nfs/dbraw/zinc/05/31/82/557053182.db2.gz HHVBVHDABZXCIB-UHFFFAOYSA-N 0 0 441.988 5.281 50 0 IKAARN CN(C(=O)c1cc(-c2cccs2)nc2ccccc21)[C@@H](c1ccccc1)c1ccccn1 ZINC000048287567 557053240 /nfs/dbraw/zinc/05/32/40/557053240.db2.gz WSDMMXAVPWTFCS-SANMLTNESA-N 0 0 435.552 6.220 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1OCC ZINC000017315538 557053399 /nfs/dbraw/zinc/05/33/99/557053399.db2.gz XFCLZWRQPUFKLX-UHFFFAOYSA-N 0 0 444.531 5.329 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 ZINC000048288083 557053655 /nfs/dbraw/zinc/05/36/55/557053655.db2.gz DLIUDXNUJWQQHH-QHCPKHFHSA-N 0 0 427.552 5.060 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000033275308 557053888 /nfs/dbraw/zinc/05/38/88/557053888.db2.gz YMCDNNVTBYTDDJ-UHFFFAOYSA-N 0 0 433.899 5.322 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 ZINC000004735781 557053908 /nfs/dbraw/zinc/05/39/08/557053908.db2.gz DSYFTFPCOMTHDI-GOSISDBHSA-N 0 0 425.594 6.392 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1ccc(Cl)cc1C ZINC000033275312 557053997 /nfs/dbraw/zinc/05/39/97/557053997.db2.gz WSGWWFWPKHJDMG-UHFFFAOYSA-N 0 0 447.926 5.631 50 0 IKAARN CCn1c(CCc2ccccc2NS(=O)(=O)c2ccc(C)c(C)c2)nc2ccccc21 ZINC000033275355 557054036 /nfs/dbraw/zinc/05/40/36/557054036.db2.gz LYOAZMZQDGILMA-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000022964111 557054735 /nfs/dbraw/zinc/05/47/35/557054735.db2.gz VPOQGUPZJYOMBF-OAQYLSRUSA-N 0 0 443.528 5.333 50 0 IKAARN Cc1ccccc1-n1c2nc(SCc3ccccc3Cl)[nH]c(=O)c2sc1=S ZINC000032948399 557054752 /nfs/dbraw/zinc/05/47/52/557054752.db2.gz GBMIOPKVNHCTEM-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN CC[C@H](NC(=O)CSc1ncnc2sc(C)c(C)c21)c1nc(-c2ccccc2)c[nH]1 ZINC000048291131 557055627 /nfs/dbraw/zinc/05/56/27/557055627.db2.gz QUWWFEPVTXZBDB-INIZCTEOSA-N 0 0 437.594 5.058 50 0 IKAARN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000017312411 557055856 /nfs/dbraw/zinc/05/58/56/557055856.db2.gz GEBSWFFEUBOHOQ-CQSZACIVSA-N 0 0 433.766 6.750 50 0 IKAARN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000017312413 557056034 /nfs/dbraw/zinc/05/60/34/557056034.db2.gz GEBSWFFEUBOHOQ-AWEZNQCLSA-N 0 0 433.766 6.750 50 0 IKAARN Cc1cc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000048276929 557056743 /nfs/dbraw/zinc/05/67/43/557056743.db2.gz AAXGAHFKGODUBB-UHFFFAOYSA-N 0 0 447.608 5.803 50 0 IKAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)n1 ZINC000023012402 557057397 /nfs/dbraw/zinc/05/73/97/557057397.db2.gz HGASNTUXHCXJHU-OAQYLSRUSA-N 0 0 435.549 5.055 50 0 IKAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2cccc(C)c2C)cc1 ZINC000032948723 557057852 /nfs/dbraw/zinc/05/78/52/557057852.db2.gz VUENQPCAAGFPPK-OAQYLSRUSA-N 0 0 432.520 5.016 50 0 IKAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000010874102 557058663 /nfs/dbraw/zinc/05/86/63/557058663.db2.gz AEOWROMYJBOPSI-SNVBAGLBSA-N 0 0 443.377 5.499 50 0 IKAARN O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948507 557058719 /nfs/dbraw/zinc/05/87/19/557058719.db2.gz NRHNBGTXAMELJE-UHFFFAOYSA-N 0 0 435.958 5.590 50 0 IKAARN CCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1nc2ccccc2s1 ZINC000023042124 557059260 /nfs/dbraw/zinc/05/92/60/557059260.db2.gz VIAIUTZLOQJWHA-UHFFFAOYSA-N 0 0 440.524 6.045 50 0 IKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)c1 ZINC000048309283 557059533 /nfs/dbraw/zinc/05/95/33/557059533.db2.gz DZLKGYJBBRTABX-UHFFFAOYSA-N 0 0 438.531 5.274 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278123 557060109 /nfs/dbraw/zinc/06/01/09/557060109.db2.gz BBQYSWNJYXTTKN-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc21 ZINC000033278644 557060388 /nfs/dbraw/zinc/06/03/88/557060388.db2.gz IPIJQFQTYOFQEZ-UHFFFAOYSA-N 0 0 439.849 6.486 50 0 IKAARN COCCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1-c1nc2ccccc2s1 ZINC000048311238 557060897 /nfs/dbraw/zinc/06/08/97/557060897.db2.gz JHQYVLSNHBJSID-UHFFFAOYSA-N 0 0 443.981 5.550 50 0 IKAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023058379 557061122 /nfs/dbraw/zinc/06/11/22/557061122.db2.gz WWCQEAARZDWLOF-UHFFFAOYSA-N 0 0 440.421 6.126 50 0 IKAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cc(C)sc3C)cc2Cl)n1 ZINC000048311950 557061204 /nfs/dbraw/zinc/06/12/04/557061204.db2.gz WLQBCDISVHERBE-AWEZNQCLSA-N 0 0 430.961 5.284 50 0 IKAARN O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000082230554 557061801 /nfs/dbraw/zinc/06/18/01/557061801.db2.gz ZQUNULYFFHNPNC-UHFFFAOYSA-N 0 0 439.401 5.069 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3cnn(C(C)C)c3n2)s1 ZINC000048300612 557062382 /nfs/dbraw/zinc/06/23/82/557062382.db2.gz GNKPAUBTUBOHJB-UHFFFAOYSA-N 0 0 433.581 5.495 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccccc3F)nc(N3CCCC3)c12 ZINC000033279947 557062535 /nfs/dbraw/zinc/06/25/35/557062535.db2.gz VADVTEXAIKRIIW-UHFFFAOYSA-N 0 0 429.499 5.029 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000013964449 557063157 /nfs/dbraw/zinc/06/31/57/557063157.db2.gz GGVFOFYUVOSCIU-UHFFFAOYSA-N 0 0 445.316 6.119 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@H]3C(=O)Nc3cc(Cl)ccc3Cl)co2)cc1 ZINC000048302962 557064299 /nfs/dbraw/zinc/06/42/99/557064299.db2.gz FDRKAVYGNZTKTC-FQEVSTJZSA-N 0 0 446.334 5.260 50 0 IKAARN COc1ccc(-c2nc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)sc2C)cc1 ZINC000023120692 557064769 /nfs/dbraw/zinc/06/47/69/557064769.db2.gz MUOZTOWNKUSOTG-UHFFFAOYSA-N 0 0 439.537 5.571 50 0 IKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000033288135 557065310 /nfs/dbraw/zinc/06/53/10/557065310.db2.gz ZFTGGQNHOSPZFN-INIZCTEOSA-N 0 0 447.922 5.062 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000033288219 557065332 /nfs/dbraw/zinc/06/53/32/557065332.db2.gz LUOJGOIVNANFTH-UHFFFAOYSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)cc3F)C2)cc1 ZINC000033288486 557065753 /nfs/dbraw/zinc/06/57/53/557065753.db2.gz IIKRHELHDBQHMS-SFHVURJKSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3CCN(C/C=C\c4ccccc4)CC3)c3ccccc3n2)c1 ZINC000033288696 557065804 /nfs/dbraw/zinc/06/58/04/557065804.db2.gz PJGHPKQCOHYRAD-WQLSENKSSA-N 0 0 447.582 5.681 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000033288415 557065825 /nfs/dbraw/zinc/06/58/25/557065825.db2.gz GYCUFSXRUVGTNV-KRWDZBQOSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(F)c(C)c3)C2)cc1 ZINC000033288481 557065832 /nfs/dbraw/zinc/06/58/32/557065832.db2.gz SGVXEUAAPODDSH-GOSISDBHSA-N 0 0 436.556 5.239 50 0 IKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000048324996 557065960 /nfs/dbraw/zinc/06/59/60/557065960.db2.gz QKSQBAWMDCGGSW-UHFFFAOYSA-N 0 0 446.938 5.326 50 0 IKAARN COc1ccc(-c2csc(CCNC(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1 ZINC000048325436 557066219 /nfs/dbraw/zinc/06/62/19/557066219.db2.gz QPWKPRGRUMNOLJ-UHFFFAOYSA-N 0 0 439.924 5.100 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 ZINC000017344603 557066759 /nfs/dbraw/zinc/06/67/59/557066759.db2.gz VFTINCOEGSHTRL-QGZVFWFLSA-N 0 0 435.574 5.554 50 0 IKAARN Cc1ccc(CNC(=O)c2ccccc2Sc2nccnc2Oc2ccc(C)cc2)o1 ZINC000033289221 557066786 /nfs/dbraw/zinc/06/67/86/557066786.db2.gz XWZBLGGGPKWUFV-UHFFFAOYSA-N 0 0 431.517 5.560 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)cc1C ZINC000033281381 557067217 /nfs/dbraw/zinc/06/72/17/557067217.db2.gz ASLVOORBMBYZNS-UHFFFAOYSA-N 0 0 443.547 5.615 50 0 IKAARN COc1cccc([C@@H]2CCCN2C(=O)c2sc(COc3ccc(F)cc3)nc2C)c1 ZINC000048313685 557067514 /nfs/dbraw/zinc/06/75/14/557067514.db2.gz WUUFPHZIWMINRI-FQEVSTJZSA-N 0 0 426.513 5.156 50 0 IKAARN O=C(Cc1csc(-c2cccs2)n1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000017367853 557067912 /nfs/dbraw/zinc/06/79/12/557067912.db2.gz XHTHARRROZWNGO-UHFFFAOYSA-N 0 0 433.583 6.330 50 0 IKAARN CCOC(=O)C1CCN(c2cc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc3n2)CC1 ZINC000033282522 557068030 /nfs/dbraw/zinc/06/80/30/557068030.db2.gz FJNPTDHVTZBJQE-UHFFFAOYSA-N 0 0 442.519 5.040 50 0 IKAARN COc1ccc(Oc2ccc(CNC(=O)c3cc4cc(Cl)ccc4nc3C)cn2)cc1 ZINC000048333974 557068523 /nfs/dbraw/zinc/06/85/23/557068523.db2.gz XLQMNFKNMFXYAG-UHFFFAOYSA-N 0 0 433.895 5.323 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)c(C)c1 ZINC000033283655 557068612 /nfs/dbraw/zinc/06/86/12/557068612.db2.gz PZTRDVNLFLECBU-FQEVSTJZSA-N 0 0 432.568 5.154 50 0 IKAARN CC1CCN(c2ccc(-c3noc(CCC(=O)Nc4ccc(F)c(Cl)c4)n3)cc2)CC1 ZINC000033283479 557068623 /nfs/dbraw/zinc/06/86/23/557068623.db2.gz CJVSZJUPDGATOQ-UHFFFAOYSA-N 0 0 442.922 5.337 50 0 IKAARN O=C(CCc1ccccc1)N1CCC(C(=O)O[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000048326336 557068812 /nfs/dbraw/zinc/06/88/12/557068812.db2.gz JCPKADNJWUXCOU-HHHXNRCGSA-N 0 0 441.571 5.385 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)c12 ZINC000048326651 557069065 /nfs/dbraw/zinc/06/90/65/557069065.db2.gz PMMLNRFEHIRXRJ-UHFFFAOYSA-N 0 0 449.505 5.323 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 ZINC000048326720 557069228 /nfs/dbraw/zinc/06/92/28/557069228.db2.gz OORQAYDICWNNGN-QHCPKHFHSA-N 0 0 440.528 5.516 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2NC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000033291081 557069490 /nfs/dbraw/zinc/06/94/90/557069490.db2.gz USZWQJDYHCWDIV-IPPJXQLGSA-N 0 0 442.515 5.316 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3Cl)sc2c1 ZINC000033289263 557070505 /nfs/dbraw/zinc/07/05/05/557070505.db2.gz RNWAFGVPPMEFEC-UHFFFAOYSA-N 0 0 428.966 6.034 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)cc3Cl)sc2c1 ZINC000033289266 557070960 /nfs/dbraw/zinc/07/09/60/557070960.db2.gz JXAUJQVFGMPEMN-UHFFFAOYSA-N 0 0 442.993 6.343 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)NCC2(c3ccc(F)cc3)CCCC2)no1 ZINC000048341966 557070987 /nfs/dbraw/zinc/07/09/87/557070987.db2.gz HLAQRQCPJUCLII-UHFFFAOYSA-N 0 0 425.529 5.051 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(OC)cc4s3)cc2C)cc1 ZINC000033289286 557071068 /nfs/dbraw/zinc/07/10/68/557071068.db2.gz BGHCYNNROQDRBV-UHFFFAOYSA-N 0 0 440.546 5.090 50 0 IKAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(C)s2)n1 ZINC000033289976 557071940 /nfs/dbraw/zinc/07/19/40/557071940.db2.gz UNQFZVYQCBKTGJ-UHFFFAOYSA-N 0 0 443.413 5.360 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1O ZINC000033293818 557072344 /nfs/dbraw/zinc/07/23/44/557072344.db2.gz IOQGARGRFIELQS-GIDUJCDVSA-N 0 0 440.702 5.058 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000023193551 557072575 /nfs/dbraw/zinc/07/25/75/557072575.db2.gz XSBPSLHXSBFPQO-NSYGIPOTSA-N 0 0 448.950 5.392 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000033296981 557072876 /nfs/dbraw/zinc/07/28/76/557072876.db2.gz STHDNUVYNDFLNK-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCCc2cc(Br)ccc21 ZINC000048353602 557072836 /nfs/dbraw/zinc/07/28/36/557072836.db2.gz HSDJUHXCZHTJPF-UHFFFAOYSA-N 0 0 449.654 5.032 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(-c2nc(-c3ccccc3Cl)no2)c1C ZINC000033296979 557072920 /nfs/dbraw/zinc/07/29/20/557072920.db2.gz ZSEAWVUAEXQQJZ-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(-c3nc(CC(C)C)cs3)cs2)cc1 ZINC000033297754 557073215 /nfs/dbraw/zinc/07/32/15/557073215.db2.gz MDFVPVLPHHMVGV-CQSZACIVSA-N 0 0 436.624 5.118 50 0 IKAARN Cc1csc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)n1 ZINC000033297622 557073222 /nfs/dbraw/zinc/07/32/22/557073222.db2.gz ZRPCIJMZNUZMCI-UHFFFAOYSA-N 0 0 429.386 5.052 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(Cl)c1 ZINC000033297787 557073611 /nfs/dbraw/zinc/07/36/11/557073611.db2.gz UDVRNQCNLOLXEW-UHFFFAOYSA-N 0 0 427.016 5.932 50 0 IKAARN CCOc1cccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297853 557073658 /nfs/dbraw/zinc/07/36/58/557073658.db2.gz FIEQSSDEGYFULU-UHFFFAOYSA-N 0 0 436.624 5.046 50 0 IKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)c1Br ZINC000048363167 557074674 /nfs/dbraw/zinc/07/46/74/557074674.db2.gz RUAVCCXLLXGNDI-UHFFFAOYSA-N 0 0 427.323 6.188 50 0 IKAARN COc1ccc(CCN2COc3c4ccccc4c4oc(C)c(C(C)=O)c4c3C2)cc1OC ZINC000023224629 557074967 /nfs/dbraw/zinc/07/49/67/557074967.db2.gz LPDICZITDGMDNN-UHFFFAOYSA-N 0 0 445.515 5.509 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C)n1 ZINC000033292539 557076047 /nfs/dbraw/zinc/07/60/47/557076047.db2.gz PQLWRJPNDCLYQE-UHFFFAOYSA-N 0 0 448.573 5.320 50 0 IKAARN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000033293727 557076296 /nfs/dbraw/zinc/07/62/96/557076296.db2.gz UXSCDDUFQGSLMO-LICLKQGHSA-N 0 0 436.302 5.223 50 0 IKAARN CCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C1CCCCC1 ZINC000004752604 557077883 /nfs/dbraw/zinc/07/78/83/557077883.db2.gz QDQYQJAFNKSVAS-UHFFFAOYSA-N 0 0 426.626 5.547 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000024632106 557078423 /nfs/dbraw/zinc/07/84/23/557078423.db2.gz MBXNBEGUJZSBPP-HXUWFJFHSA-N 0 0 449.576 5.953 50 0 IKAARN CCOc1ccc(-c2cc3c(SCc4ccc(C(=O)OC)o4)nccn3n2)cc1Cl ZINC000048990953 557080517 /nfs/dbraw/zinc/08/05/17/557080517.db2.gz VXESHYKJRIDIBR-UHFFFAOYSA-N 0 0 443.912 5.120 50 0 IKAARN COc1ccccc1-c1csc(-c2nnn(-c3ccc(Oc4ccccc4)cc3)c2N)n1 ZINC000049001843 557081098 /nfs/dbraw/zinc/08/10/98/557081098.db2.gz PBZFRBAQBAHOSA-UHFFFAOYSA-N 0 0 441.516 5.441 50 0 IKAARN Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2cccc(Cl)c2)n1 ZINC000049001794 557081124 /nfs/dbraw/zinc/08/11/24/557081124.db2.gz CRJRAGFEKOXCIJ-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000049001786 557081151 /nfs/dbraw/zinc/08/11/51/557081151.db2.gz MUPVGFYLCGAQIK-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN COc1cc(OC)c(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1Cl ZINC000011300766 557081254 /nfs/dbraw/zinc/08/12/54/557081254.db2.gz KZLHWPVXKFLVRG-UHFFFAOYSA-N 0 0 439.320 5.396 50 0 IKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(Br)cc4F)c3N)n2)c(C)c1 ZINC000049001879 557081347 /nfs/dbraw/zinc/08/13/47/557081347.db2.gz HWMFSRLSGATPMX-UHFFFAOYSA-N 0 0 444.333 5.158 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(Cl)c2)cc1C ZINC000048985632 557081896 /nfs/dbraw/zinc/08/18/96/557081896.db2.gz RHZWALGZZPJOFL-UHFFFAOYSA-N 0 0 434.970 5.096 50 0 IKAARN O=C(CSc1ncnc2sccc21)N1CCc2sccc2[C@H]1c1cccs1 ZINC000011308105 557082107 /nfs/dbraw/zinc/08/21/07/557082107.db2.gz OFOOBJFZKNOLPD-KRWDZBQOSA-N 0 0 429.617 5.081 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)ccc1OC ZINC000049005008 557084002 /nfs/dbraw/zinc/08/40/02/557084002.db2.gz PKDYKCXNFSQNPO-QGZVFWFLSA-N 0 0 434.540 5.104 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1OC ZINC000049005012 557084050 /nfs/dbraw/zinc/08/40/50/557084050.db2.gz RGFCRFKKNRWXAK-QGZVFWFLSA-N 0 0 434.540 5.104 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)cc(OC)c1 ZINC000049005111 557084218 /nfs/dbraw/zinc/08/42/18/557084218.db2.gz PCDBKMOOALSZKJ-SFHVURJKSA-N 0 0 434.540 5.104 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1OC ZINC000049005039 557084287 /nfs/dbraw/zinc/08/42/87/557084287.db2.gz ANNNUJDPZNOTBY-KRWDZBQOSA-N 0 0 438.959 5.749 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(Cl)c1 ZINC000049005016 557084297 /nfs/dbraw/zinc/08/42/97/557084297.db2.gz YSXKNLHFJFQEMT-QGZVFWFLSA-N 0 0 438.959 5.749 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2ccc(Br)cc2)n1 ZINC000049005376 557084321 /nfs/dbraw/zinc/08/43/21/557084321.db2.gz XVVCIRNZLQBWTD-AWEZNQCLSA-N 0 0 439.357 5.316 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(Br)cc2)n1 ZINC000049005456 557084591 /nfs/dbraw/zinc/08/45/91/557084591.db2.gz VQSKDXMYFMKLQW-UHFFFAOYSA-N 0 0 439.357 5.316 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cccc(OC(F)(F)F)c2)n1 ZINC000049005489 557084615 /nfs/dbraw/zinc/08/46/15/557084615.db2.gz AEYXKHGHDHWTLS-UHFFFAOYSA-N 0 0 444.457 5.453 50 0 IKAARN C[C@@H]1CCCN(c2cc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncn2)C1 ZINC000049006690 557085410 /nfs/dbraw/zinc/08/54/10/557085410.db2.gz LZIYVLBYASCMAD-GFCCVEGCSA-N 0 0 444.910 5.116 50 0 IKAARN O=C(Cc1ccccc1F)Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000033307404 557086849 /nfs/dbraw/zinc/08/68/49/557086849.db2.gz WTMSPSZYVGIYAA-UHFFFAOYSA-N 0 0 437.858 5.289 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc(N2CCCC2)n1 ZINC000049028120 557088245 /nfs/dbraw/zinc/08/82/45/557088245.db2.gz FQLYKCUBVLFHEW-UHFFFAOYSA-N 0 0 441.457 5.400 50 0 IKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(C)s2)cs1 ZINC000033308405 557088902 /nfs/dbraw/zinc/08/89/02/557088902.db2.gz BBZCHGIQLWWDEU-UHFFFAOYSA-N 0 0 443.413 5.360 50 0 IKAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)Nc1ccccc1C(F)(F)F ZINC000049030449 557089258 /nfs/dbraw/zinc/08/92/58/557089258.db2.gz QUTHDZHJIWTYPT-OAHLLOKOSA-N 0 0 433.430 5.127 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000011328273 557091236 /nfs/dbraw/zinc/09/12/36/557091236.db2.gz TYPLMWATMIDQIP-UHFFFAOYSA-N 0 0 426.451 5.595 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cnc(Nc3ccccc3OC)c3ccccc23)c1 ZINC000004760862 557092034 /nfs/dbraw/zinc/09/20/34/557092034.db2.gz SJCXZLSZJHPQFI-UHFFFAOYSA-N 0 0 429.476 5.257 50 0 aggregator IKAARN CN(C)C(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000023425173 557092066 /nfs/dbraw/zinc/09/20/66/557092066.db2.gz LATXPZBVAXZNAO-UHFFFAOYSA-N 0 0 427.348 5.279 50 0 IKAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023448469 557092890 /nfs/dbraw/zinc/09/28/90/557092890.db2.gz XNCHWGNJLJEEPK-OAQYLSRUSA-N 0 0 437.795 5.823 50 0 IKAARN O=C(c1ccc(Cl)nc1)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023458538 557092917 /nfs/dbraw/zinc/09/29/17/557092917.db2.gz XJZSOGGGDLGNRV-UHFFFAOYSA-N 0 0 442.950 5.743 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000049004687 557092906 /nfs/dbraw/zinc/09/29/06/557092906.db2.gz UIUGDWPPSYCNRQ-UHFFFAOYSA-N 0 0 428.458 5.717 50 0 IKAARN CC[C@@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2SCc2nnc(C)o2)cc1 ZINC000023482237 557093819 /nfs/dbraw/zinc/09/38/19/557093819.db2.gz QFZXSYIJWVEQEN-CYBMUJFWSA-N 0 0 440.956 5.536 50 0 IKAARN Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)nc1 ZINC000004762609 557094223 /nfs/dbraw/zinc/09/42/23/557094223.db2.gz QLHSHBSHKZIBHU-PPXQLYMYSA-N 0 0 445.607 5.251 50 0 IKAARN Oc1ccc(Br)cc1-c1nc2cnccn2c1Nc1cccc(C(F)(F)F)c1 ZINC000004763344 557094317 /nfs/dbraw/zinc/09/43/17/557094317.db2.gz AZDLLDYLLPYFSS-UHFFFAOYSA-N 0 0 449.230 5.627 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@@H]1OC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000023485133 557094492 /nfs/dbraw/zinc/09/44/92/557094492.db2.gz KOBHWYVPRYIJNK-SANMLTNESA-N 0 0 437.499 5.261 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1C ZINC000008426095 557095126 /nfs/dbraw/zinc/09/51/26/557095126.db2.gz ZCCUWIGJKKPOOS-UHFFFAOYSA-N 0 0 449.579 7.082 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000008426661 557095158 /nfs/dbraw/zinc/09/51/58/557095158.db2.gz UMLPMZKGGPUJSG-IFMALSPDSA-N 0 0 436.309 5.095 50 0 IKAARN Cc1cccc(Oc2cc(N3CCC(C(=O)Nc4ccc5c(c4)CCC5)CC3)ncn2)c1C ZINC000033311900 557095242 /nfs/dbraw/zinc/09/52/42/557095242.db2.gz HRUJVFLJSJEGKU-UHFFFAOYSA-N 0 0 442.563 5.230 50 0 IKAARN CCOc1ccc(NC(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)cc1 ZINC000033311895 557095298 /nfs/dbraw/zinc/09/52/98/557095298.db2.gz QCHVNTGBDSKHBQ-UHFFFAOYSA-N 0 0 446.551 5.085 50 0 IKAARN Cc1cc(-c2cc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)c3c(C)noc3n2)c(C)o1 ZINC000023507497 557095265 /nfs/dbraw/zinc/09/52/65/557095265.db2.gz FZPCCNJMCBAEJW-ZDUSSCGKSA-N 0 0 425.435 5.519 50 0 IKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000033312243 557096485 /nfs/dbraw/zinc/09/64/85/557096485.db2.gz AOCPAFGXGUBOOF-UHFFFAOYSA-N 0 0 429.545 6.802 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C)cc1Br ZINC000033312550 557096766 /nfs/dbraw/zinc/09/67/66/557096766.db2.gz KNPNIKJNMJJHDT-UHFFFAOYSA-N 0 0 445.386 5.313 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)c2ccc(Br)cc2)cc1 ZINC000008431677 557096824 /nfs/dbraw/zinc/09/68/24/557096824.db2.gz URAQWUKSEIIJRB-UPVQGACJSA-N 0 0 449.348 5.874 50 0 IKAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@H](C)c4ccc(F)cc4)CC3)ncn2)cc1 ZINC000049401933 557097356 /nfs/dbraw/zinc/09/73/56/557097356.db2.gz ZGUAKHPGOWUXKF-GOSISDBHSA-N 0 0 448.542 5.064 50 0 IKAARN Cc1ccc(-c2csc3ncnc(N[C@H](c4nccn4C)c4ccc(F)cc4)c23)cc1 ZINC000017590374 557099089 /nfs/dbraw/zinc/09/90/89/557099089.db2.gz FVAOIOCDJIRXLK-NRFANRHFSA-N 0 0 429.524 5.741 50 0 IKAARN Cc1ccc(-c2csc3ncnc(N[C@@H](c4nccn4C)c4ccc(F)cc4)c23)cc1 ZINC000017590375 557099160 /nfs/dbraw/zinc/09/91/60/557099160.db2.gz FVAOIOCDJIRXLK-OAQYLSRUSA-N 0 0 429.524 5.741 50 0 IKAARN O=C(/C=C\c1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000033316234 557099288 /nfs/dbraw/zinc/09/92/88/557099288.db2.gz QEVQKHPVMQOKLR-ATVHPVEESA-N 0 0 434.561 5.056 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000033317574 557099293 /nfs/dbraw/zinc/09/92/93/557099293.db2.gz FIHMAEHIKOPTHT-OAQYLSRUSA-N 0 0 443.522 5.079 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000033317572 557099303 /nfs/dbraw/zinc/09/93/03/557099303.db2.gz FIHMAEHIKOPTHT-NRFANRHFSA-N 0 0 443.522 5.079 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1ccncc1)O2 ZINC000008441557 557099308 /nfs/dbraw/zinc/09/93/08/557099308.db2.gz GDURNPXMLFLNTC-UKILVPOCSA-N 0 0 446.337 6.784 50 0 IKAARN COc1ccc(-c2ccc(-c3cn(C(=O)N4CCCC[C@H]4c4ccccc4)nn3)cc2)cc1 ZINC000098050683 557099315 /nfs/dbraw/zinc/09/93/15/557099315.db2.gz OEHLNQDRVMDXQD-SANMLTNESA-N 0 0 438.531 5.816 50 0 in-vitro IKAARN COc1cccc([C@@H](Nc2nc(-c3cccs3)nc3ccccc32)c2nccn2C)c1 ZINC000017591108 557099374 /nfs/dbraw/zinc/09/93/74/557099374.db2.gz CUQXYKVTDKCCRR-OAQYLSRUSA-N 0 0 427.533 5.302 50 0 IKAARN C=Cc1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405168 557100359 /nfs/dbraw/zinc/10/03/59/557100359.db2.gz AVVMJWDACYHGOM-UHFFFAOYSA-N 0 0 446.576 5.200 50 0 IKAARN C/C=C/c1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1OCc1ccccc1 ZINC000085221462 557100944 /nfs/dbraw/zinc/10/09/44/557100944.db2.gz HERVQUFQZXZOBU-OEMHODTASA-N 0 0 447.594 7.800 50 0 IKAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC000085414318 557101587 /nfs/dbraw/zinc/10/15/87/557101587.db2.gz ZTSGQQIRBWBFEW-AWEZNQCLSA-N 0 0 431.841 6.332 50 0 IKAARN COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2CCCOC(C)C)c1 ZINC000085430407 557101988 /nfs/dbraw/zinc/10/19/88/557101988.db2.gz NNTCIKPGDXBZCR-QFIPXVFZSA-N 0 0 436.552 5.331 50 0 IKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000011347397 557103583 /nfs/dbraw/zinc/10/35/83/557103583.db2.gz UMQMAJXQCGTZCM-CYBMUJFWSA-N 0 0 447.545 5.461 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1cccc(N2CCn3c4ccc(Cl)cc4nc3C2)c1 ZINC000033320639 557103835 /nfs/dbraw/zinc/10/38/35/557103835.db2.gz LNOWXGFHXIFSDW-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3ncnc4sc(-c5ccccc5)cc43)o2)cc1 ZINC000017661206 557105591 /nfs/dbraw/zinc/10/55/91/557105591.db2.gz ONPQEBZCZUFKOR-OAHLLOKOSA-N 0 0 430.558 6.570 50 0 IKAARN O=C(COc1ccc2ccc(=O)oc2c1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000017674025 557107148 /nfs/dbraw/zinc/10/71/48/557107148.db2.gz JANILIYIUMYHSQ-NRFANRHFSA-N 0 0 429.497 5.052 50 0 IKAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023701669 557107897 /nfs/dbraw/zinc/10/78/97/557107897.db2.gz GUNOVFLKJVZLSK-CQSZACIVSA-N 0 0 436.865 5.292 50 0 IKAARN COc1ccc(Nc2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000049421537 557108122 /nfs/dbraw/zinc/10/81/22/557108122.db2.gz OMXHZVIJLOJUNB-UHFFFAOYSA-N 0 0 448.544 5.445 50 0 IKAARN COc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)CC3CCCCC3)cc2)cn1 ZINC000049421805 557108581 /nfs/dbraw/zinc/10/85/81/557108581.db2.gz IEWRGTRNGRVPSL-UHFFFAOYSA-N 0 0 446.551 5.101 50 0 IKAARN COc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)c1 ZINC000049421817 557108593 /nfs/dbraw/zinc/10/85/93/557108593.db2.gz AEIXCAWVFCTJGO-UHFFFAOYSA-N 0 0 446.551 5.101 50 0 IKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(NC2CCCCC2)n1 ZINC000033326748 557108605 /nfs/dbraw/zinc/10/86/05/557108605.db2.gz BMHYJQZTIKVSRO-UHFFFAOYSA-N 0 0 434.519 6.056 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)cc1 ZINC000049421781 557108690 /nfs/dbraw/zinc/10/86/90/557108690.db2.gz KTFCSELDFDDNMO-UHFFFAOYSA-N 0 0 433.581 5.474 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cn(Cc2ccc(NC(=O)c3ccccc3F)cc2)cn1 ZINC000049421851 557108933 /nfs/dbraw/zinc/10/89/33/557108933.db2.gz PKMKITUOGQWUJD-UHFFFAOYSA-N 0 0 448.885 5.229 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cn(Cc2ccc(NC(=O)c3cccc(F)c3)cc2)cn1 ZINC000049422230 557109198 /nfs/dbraw/zinc/10/91/98/557109198.db2.gz KSAOZTNDROIBMO-UHFFFAOYSA-N 0 0 448.885 5.229 50 0 IKAARN O=C1C[C@H](c2ccccc2Br)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415474 557110291 /nfs/dbraw/zinc/11/02/91/557110291.db2.gz LCVJBSLVAYJIGQ-GOSISDBHSA-N 0 0 449.323 6.065 50 0 IKAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4cc(Cl)ccc4Cl)CC3)no2)c1 ZINC000033327676 557110320 /nfs/dbraw/zinc/11/03/20/557110320.db2.gz RNGSJHQDXNMEGO-UHFFFAOYSA-N 0 0 445.350 5.203 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 ZINC000011358297 557110968 /nfs/dbraw/zinc/11/09/68/557110968.db2.gz KEUYVSNQVINUIA-UHFFFAOYSA-N 0 0 435.578 5.295 50 0 IKAARN Cc1oc(-c2cccs2)nc1CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328887 557112798 /nfs/dbraw/zinc/11/27/98/557112798.db2.gz QPXCFYNMQITZNS-UHFFFAOYSA-N 0 0 445.529 5.855 50 0 IKAARN O=C1CN(Cc2ccccc2)[C@@H](c2ccccc2Cl)c2cc(Br)ccc2N1 ZINC000049597028 557114793 /nfs/dbraw/zinc/11/47/93/557114793.db2.gz SYRKWSNWDILSAO-QFIPXVFZSA-N 0 0 441.756 5.646 50 0 IKAARN COc1ccc(CCNc2nc3ccc(C)cc3cc2-c2noc(C(C)C)n2)cc1OC ZINC000033331621 557115716 /nfs/dbraw/zinc/11/57/16/557115716.db2.gz NFVGQZDXPCTCLZ-UHFFFAOYSA-N 0 0 432.524 5.388 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=S)Nc4ccccc4)c3)C2=O)cc1 ZINC000113559998 557115838 /nfs/dbraw/zinc/11/58/38/557115838.db2.gz CBMBLSYXVBMOEG-OAQYLSRUSA-N 0 0 447.585 5.228 50 0 IKAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](Sc5cccc(N)c5)C4=O)cc3)sc2c1 ZINC000113561194 557115872 /nfs/dbraw/zinc/11/58/72/557115872.db2.gz BMQRINYPUMNQKW-OAQYLSRUSA-N 0 0 445.569 5.278 50 0 IKAARN CC(C)OP(=O)(OC(C)C)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 ZINC000023224590 557115924 /nfs/dbraw/zinc/11/59/24/557115924.db2.gz ROFPXQYPDKOLLL-HXUWFJFHSA-N 0 0 440.318 6.281 50 0 IKAARN CSCC[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 ZINC000049632642 557115958 /nfs/dbraw/zinc/11/59/58/557115958.db2.gz GOFFXPATGGEBDZ-FQEVSTJZSA-N 0 0 439.512 5.098 50 0 IKAARN O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1Br ZINC000000955202 557117793 /nfs/dbraw/zinc/11/77/93/557117793.db2.gz AXHAKCYFQQAPDO-UHFFFAOYSA-N 0 0 439.378 5.166 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000001147572 557119381 /nfs/dbraw/zinc/11/93/81/557119381.db2.gz YLWTXYRBIPVVLF-UHFFFAOYSA-N 0 0 439.682 5.510 50 0 IKAARN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@H]1c1cccs1 ZINC000023845261 557119835 /nfs/dbraw/zinc/11/98/35/557119835.db2.gz RQGIBWSSPQFKSY-INIZCTEOSA-N 0 0 443.922 5.395 50 0 IKAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnc(Cl)c(Cl)c1)OCCO3 ZINC000014903776 557119841 /nfs/dbraw/zinc/11/98/41/557119841.db2.gz ZKVUKFBKPDPBEW-ZDUSSCGKSA-N 0 0 433.335 5.188 50 0 IKAARN Cc1ccc(Nc2nnc(SCCCc3nc(-c4ccncc4)no3)s2)cc1Cl ZINC000014903100 557119886 /nfs/dbraw/zinc/11/98/86/557119886.db2.gz GATFJQDYMYUODF-UHFFFAOYSA-N 0 0 444.973 5.413 50 0 IKAARN CCCOc1ccc(-c2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1OCC ZINC000098086464 557122964 /nfs/dbraw/zinc/12/29/64/557122964.db2.gz WPUOCXNKFDGYIL-UHFFFAOYSA-N 0 0 439.562 5.359 50 0 IKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000024676479 557123224 /nfs/dbraw/zinc/12/32/24/557123224.db2.gz YOIIKNPXJVNOHU-UHFFFAOYSA-N 0 0 432.254 6.091 50 0 IKAARN O=C1N[C@H](c2ccccc2)Nc2c1sc1nc3c(c(-c4ccco4)c12)CCc1ccccc1-3 ZINC000000643045 557124192 /nfs/dbraw/zinc/12/41/92/557124192.db2.gz OHHXWWLKAQFWKL-RUZDIDTESA-N 0 0 449.535 6.176 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1)C1=CCCC1 ZINC000024700946 557124196 /nfs/dbraw/zinc/12/41/96/557124196.db2.gz LKLBWUDVBLCYFO-UHFFFAOYSA-N 0 0 440.613 5.467 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1cc(Br)ccc1Cl ZINC000004791153 557124812 /nfs/dbraw/zinc/12/48/12/557124812.db2.gz ITOHGIMKISIUDW-UHFFFAOYSA-N 0 0 440.728 5.978 50 0 IKAARN Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000017831078 557124891 /nfs/dbraw/zinc/12/48/91/557124891.db2.gz HQQGHZZRHMBGNQ-UHFFFAOYSA-N 0 0 442.562 5.204 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000036352126 557124907 /nfs/dbraw/zinc/12/49/07/557124907.db2.gz XOPXPJZPHIRLJW-GGAORHGYSA-N 0 0 435.867 5.499 50 0 IKAARN CC[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000606422420 557125228 /nfs/dbraw/zinc/12/52/28/557125228.db2.gz ZLHCIFDYFRXRTH-LJQANCHMSA-N 0 0 430.957 5.615 50 0 IKAARN Cc1ccccc1CSc1nc2nc(-c3ccccc3)cc(-c3ccccc3)c2c(=O)[nH]1 ZINC000004793302 557125425 /nfs/dbraw/zinc/12/54/25/557125425.db2.gz XVQSZXHEWWQXRX-UHFFFAOYSA-N 0 0 435.552 6.253 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793173 557125484 /nfs/dbraw/zinc/12/54/84/557125484.db2.gz NCWSTRASNGPMQZ-UIOOFZCWSA-N 0 0 437.543 5.290 50 0 IKAARN Cn1cc([C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792537 557125763 /nfs/dbraw/zinc/12/57/63/557125763.db2.gz MZKDDTRSFLJGED-RPWUZVMVSA-N 0 0 443.934 5.381 50 0 IKAARN Cc1ccc(Nc2c(-c3c(F)cccc3Cl)nc3ccc(Br)cn32)cc1 ZINC000004793993 557126098 /nfs/dbraw/zinc/12/60/98/557126098.db2.gz MYBINHQNECISOO-UHFFFAOYSA-N 0 0 430.708 6.608 50 0 IKAARN Cc1ccccc1Nc1c(-c2c(F)cccc2Cl)nc2ccc(Br)cn21 ZINC000004793947 557126112 /nfs/dbraw/zinc/12/61/12/557126112.db2.gz HSTJQHYFELKKCE-UHFFFAOYSA-N 0 0 430.708 6.608 50 0 IKAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc2c(Br)cccc12 ZINC000001839880 557126301 /nfs/dbraw/zinc/12/63/01/557126301.db2.gz JBPOTFKTEJKKTB-UHFFFAOYSA-N 0 0 435.346 5.882 50 0 IKAARN CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@@H]2CC)cc1 ZINC000004794677 557126865 /nfs/dbraw/zinc/12/68/65/557126865.db2.gz LSVVQGOVNUXOAF-JKJMAWGESA-N 0 0 426.604 7.258 50 0 IKAARN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 ZINC000033349273 557127778 /nfs/dbraw/zinc/12/77/78/557127778.db2.gz CFCSCRWSITVFBI-OEAKJJBVSA-N 0 0 433.504 5.950 50 0 IKAARN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000033349270 557127793 /nfs/dbraw/zinc/12/77/93/557127793.db2.gz RNDJZTAGKVWUHQ-VXLYETTFSA-N 0 0 448.302 6.629 50 0 IKAARN O=C(Cc1ccc(Br)cc1)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000017910949 557127902 /nfs/dbraw/zinc/12/79/02/557127902.db2.gz JXXFNQAWQZCZPK-IBGZPJMESA-N 0 0 439.378 5.483 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000002170288 557128609 /nfs/dbraw/zinc/12/86/09/557128609.db2.gz KAYPRAKZRXJXNO-UHFFFAOYSA-N 0 0 433.558 5.358 50 0 IKAARN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)c(C)c12 ZINC000011374164 557129361 /nfs/dbraw/zinc/12/93/61/557129361.db2.gz YENBZBZYJIPIRF-SANMLTNESA-N 0 0 426.564 5.040 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(OC)cc4)cc3n2)s1 ZINC000000653954 557129882 /nfs/dbraw/zinc/12/98/82/557129882.db2.gz FRDXFZSRKHWDSE-UHFFFAOYSA-N 0 0 446.454 5.300 50 0 IKAARN c1coc(-c2nnc(SCc3csc(Nc4ccccc4)n3)n2Cc2ccccc2)c1 ZINC000023989426 557129960 /nfs/dbraw/zinc/12/99/60/557129960.db2.gz GDZQSFQICNYAJO-UHFFFAOYSA-N 0 0 445.573 6.079 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4F)c(N)c3cc2C1 ZINC000000661844 557131111 /nfs/dbraw/zinc/13/11/11/557131111.db2.gz UPFFOZCTOQABIU-SNVBAGLBSA-N 0 0 448.361 5.547 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3n2)cc1 ZINC000000661540 557131131 /nfs/dbraw/zinc/13/11/31/557131131.db2.gz AQSJCAMYSWCLOB-UHFFFAOYSA-N 0 0 443.450 5.825 50 0 IKAARN Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(C)c1C(=O)Nc1ccccc1 ZINC000000666261 557132062 /nfs/dbraw/zinc/13/20/62/557132062.db2.gz YFLSLPKXRIINGI-UHFFFAOYSA-N 0 0 435.936 5.632 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 ZINC000000674380 557133210 /nfs/dbraw/zinc/13/32/10/557133210.db2.gz BTCGYLHYQQRGFT-DLBZAZTESA-N 0 0 448.876 5.435 50 0 IKAARN O=C(Nc1cccc(O)c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000673805 557133519 /nfs/dbraw/zinc/13/35/19/557133519.db2.gz 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ZINC000024755950 557134377 /nfs/dbraw/zinc/13/43/77/557134377.db2.gz SECGJPXOWNYTCU-CYBMUJFWSA-N 0 0 427.480 5.401 50 0 IKAARN CCc1cc2c(ncnc2Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000024058236 557134389 /nfs/dbraw/zinc/13/43/89/557134389.db2.gz KISKOOKXNLBPPH-UHFFFAOYSA-N 0 0 425.535 5.155 50 0 IKAARN CN(c1ccc(Oc2ncnc3ccccc32)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000024058200 557134417 /nfs/dbraw/zinc/13/44/17/557134417.db2.gz JFNXPGCPKGDOSY-UHFFFAOYSA-N 0 0 441.512 5.400 50 0 IKAARN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000002978940 557134492 /nfs/dbraw/zinc/13/44/92/557134492.db2.gz ZTXHMMZIUPXVTH-UHFFFAOYSA-N 0 0 428.022 6.296 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC000024065990 557134504 /nfs/dbraw/zinc/13/45/04/557134504.db2.gz CWDBNXMZJJVBTI-UHFFFAOYSA-N 0 0 441.622 5.407 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3C)oc2cc1C ZINC000002983954 557134717 /nfs/dbraw/zinc/13/47/17/557134717.db2.gz AVHBMJNUEOEFIP-UHFFFAOYSA-N 0 0 446.550 7.191 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(F)c1F ZINC000002886607 557135094 /nfs/dbraw/zinc/13/50/94/557135094.db2.gz CKTLEWZNETWEBZ-UHFFFAOYSA-N 0 0 437.776 5.388 50 0 IKAARN CCN(CC)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000002887352 557135177 /nfs/dbraw/zinc/13/51/77/557135177.db2.gz XPYSINSITMLTGM-UHFFFAOYSA-N 0 0 431.605 5.486 50 0 IKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1 ZINC000002881831 557135186 /nfs/dbraw/zinc/13/51/86/557135186.db2.gz UNSVJEBPRQHTQI-UHFFFAOYSA-N 0 0 432.523 6.882 50 0 IKAARN COc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000002881989 557135228 /nfs/dbraw/zinc/13/52/28/557135228.db2.gz JAKQUXQRNSBISO-UHFFFAOYSA-N 0 0 426.925 5.054 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)[C@@H](C)S(C)(=O)=O)cc2F)cc1 ZINC000072285147 557135253 /nfs/dbraw/zinc/13/52/53/557135253.db2.gz ZEMVITPHVBFUKN-JKSUJKDBSA-N 0 0 437.602 5.053 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000004811566 557136508 /nfs/dbraw/zinc/13/65/08/557136508.db2.gz RJJBNZOLYQZPJQ-ZSQNXENKSA-N 0 0 429.541 5.825 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c2ccccc2n1 ZINC000000689182 557136520 /nfs/dbraw/zinc/13/65/20/557136520.db2.gz AWABIMARLJMUHF-UHFFFAOYSA-N 0 0 425.488 5.511 50 0 IKAARN CCN(CC)c1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cc(C)ccc2C)n1 ZINC000003101078 557136694 /nfs/dbraw/zinc/13/66/94/557136694.db2.gz MAHOBUMJIZLHOX-UHFFFAOYSA-N 0 0 430.478 5.841 50 0 IKAARN O=c1sc2ccccc2n1CSC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000003110161 557136725 /nfs/dbraw/zinc/13/67/25/557136725.db2.gz NGHXLCJPZKLHRH-UHFFFAOYSA-N 0 0 436.627 5.741 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000691771 557136741 /nfs/dbraw/zinc/13/67/41/557136741.db2.gz IHQBBACFPNWFFM-QFIPXVFZSA-N 0 0 426.488 5.823 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000691734 557136784 /nfs/dbraw/zinc/13/67/84/557136784.db2.gz ZDNVQMBHHNEASC-QFIPXVFZSA-N 0 0 426.488 5.823 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000691773 557136823 /nfs/dbraw/zinc/13/68/23/557136823.db2.gz IHQBBACFPNWFFM-JOCHJYFZSA-N 0 0 426.488 5.823 50 0 IKAARN COc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000000693606 557137140 /nfs/dbraw/zinc/13/71/40/557137140.db2.gz IOQQCVVNANZVJS-UHFFFAOYSA-N 0 0 432.446 5.336 50 0 IKAARN Cc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000000693362 557137155 /nfs/dbraw/zinc/13/71/55/557137155.db2.gz LCMQNJPRTYFNBS-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000000698413 557137582 /nfs/dbraw/zinc/13/75/82/557137582.db2.gz UCWITLOBZAMTIV-UHFFFAOYSA-N 0 0 442.397 5.197 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c1 ZINC000003465446 557137693 /nfs/dbraw/zinc/13/76/93/557137693.db2.gz GBSSBKMBTUZDMU-UHFFFAOYSA-N 0 0 426.432 5.802 50 0 IKAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000000696913 557137658 /nfs/dbraw/zinc/13/76/58/557137658.db2.gz SBAUVFKRWLMUGC-UHFFFAOYSA-N 0 0 432.446 5.336 50 0 IKAARN FC(F)(F)c1cccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)c1 ZINC000000692122 557137936 /nfs/dbraw/zinc/13/79/36/557137936.db2.gz RLCXALSFDHRQBE-UHFFFAOYSA-N 0 0 435.453 5.037 50 0 IKAARN COc1cc2c(cc1NC(=O)c1cccc(I)c1)oc1ccccc12 ZINC000003642204 557138121 /nfs/dbraw/zinc/13/81/21/557138121.db2.gz LRPIDGZJOXEVFN-UHFFFAOYSA-N 0 0 443.240 5.452 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000703844 557138181 /nfs/dbraw/zinc/13/81/81/557138181.db2.gz FLJWKBXFQIXKNW-UHFFFAOYSA-N 0 0 432.270 5.188 50 0 IKAARN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccc(F)c(F)c1F ZINC000011398450 557140025 /nfs/dbraw/zinc/14/00/25/557140025.db2.gz NUHZWLZXBGCGEV-GFCCVEGCSA-N 0 0 440.377 5.096 50 0 IKAARN O=C(COc1ccc(Br)cc1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000011399802 557140226 /nfs/dbraw/zinc/14/02/26/557140226.db2.gz WNKNTGMGIBQHGN-UHFFFAOYSA-N 0 0 444.034 5.187 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1cccc2ccccc21 ZINC000000707253 557140356 /nfs/dbraw/zinc/14/03/56/557140356.db2.gz VXJVVXGKRNKSQF-OAQYLSRUSA-N 0 0 441.560 5.662 50 0 IKAARN FC(F)Sc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000024203674 557140801 /nfs/dbraw/zinc/14/08/01/557140801.db2.gz VNTMUMUTBUDLSZ-UHFFFAOYSA-N 0 0 448.564 5.071 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000024245932 557142043 /nfs/dbraw/zinc/14/20/43/557142043.db2.gz AFDZEVSXGFLQKC-UHFFFAOYSA-N 0 0 432.402 5.406 50 0 IKAARN C[C@H](c1nnc(SCc2cccc(F)c2F)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000011416122 557143200 /nfs/dbraw/zinc/14/32/00/557143200.db2.gz HUQWWRKMBACIJN-OAHLLOKOSA-N 0 0 432.515 5.524 50 0 IKAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1coc(-c2ccccc2)n1 ZINC000024300465 557143393 /nfs/dbraw/zinc/14/33/93/557143393.db2.gz JRBYMJTWZMKJNP-UHFFFAOYSA-N 0 0 441.940 5.034 50 0 IKAARN CCCN(C(=O)c1ccc2ccccc2n1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000003147005 557144659 /nfs/dbraw/zinc/14/46/59/557144659.db2.gz WUEUSYMCZKWMOK-UHFFFAOYSA-N 0 0 443.591 6.045 50 0 IKAARN COc1ccc(-c2nc(CSc3nc(C4CC4)nc4ccccc43)cs2)cc1OC ZINC000010944616 557144789 /nfs/dbraw/zinc/14/47/89/557144789.db2.gz FUDQZAUIFWMHJS-UHFFFAOYSA-N 0 0 435.574 5.940 50 0 IKAARN COc1cc(CCC(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc(OC)c1OC ZINC000011422564 557145690 /nfs/dbraw/zinc/14/56/90/557145690.db2.gz HTYCDQGXYLROLL-UHFFFAOYSA-N 0 0 444.578 5.129 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3ncccc3c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413440 557145746 /nfs/dbraw/zinc/14/57/46/557145746.db2.gz DJHWXJYNRXOQFA-DEOSSOPVSA-N 0 0 436.515 5.620 50 0 IKAARN CCc1nnc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)s1 ZINC000006391752 557146675 /nfs/dbraw/zinc/14/66/75/557146675.db2.gz VDJKZXITLMGTDZ-UHFFFAOYSA-N 0 0 449.483 5.231 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc(OC)c1O ZINC000409415517 557146589 /nfs/dbraw/zinc/14/65/89/557146589.db2.gz MYVOSGXRLLLEDX-SFHVURJKSA-N 0 0 446.478 5.026 50 0 IKAARN COc1ccc([C@@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409415708 557147013 /nfs/dbraw/zinc/14/70/13/557147013.db2.gz ZJOCWQYDUULTPV-XMMPIXPASA-N 0 0 443.547 5.546 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415657 557147051 /nfs/dbraw/zinc/14/70/51/557147051.db2.gz VXHGITOWBPIDRA-QHCPKHFHSA-N 0 0 447.966 6.191 50 0 IKAARN Cc1noc(CSc2ccc(C(=O)N(Cc3cccs3)Cc3cccs3)cc2)n1 ZINC000024468952 557147752 /nfs/dbraw/zinc/14/77/52/557147752.db2.gz TXSNWLCMDSNHEK-UHFFFAOYSA-N 0 0 441.603 5.636 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1c(C)cc(C)cc1C ZINC000011444610 557148403 /nfs/dbraw/zinc/14/84/03/557148403.db2.gz PGZIKWWSICQHGE-UHFFFAOYSA-N 0 0 430.863 5.163 50 0 IKAARN Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccc(OC(F)(F)Cl)cc2)n1 ZINC000000719001 557148846 /nfs/dbraw/zinc/14/88/46/557148846.db2.gz JASOYEXSVLDWGE-UHFFFAOYSA-N 0 0 427.238 5.646 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000011455105 557150143 /nfs/dbraw/zinc/15/01/43/557150143.db2.gz XSBFOWUFNZKBFC-NRFANRHFSA-N 0 0 430.976 5.258 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc(=O)[nH]c3ccccc32)c2ccccc2)c1 ZINC000011458261 557150932 /nfs/dbraw/zinc/15/09/32/557150932.db2.gz AOOCFWIGBVONCP-XMMPIXPASA-N 0 0 426.472 5.094 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCCC1 ZINC000016425158 557151220 /nfs/dbraw/zinc/15/12/20/557151220.db2.gz CMDBBJZHZBGMJL-UHFFFAOYSA-N 0 0 437.927 5.736 50 0 IKAARN COc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1OC ZINC000016425402 557151601 /nfs/dbraw/zinc/15/16/01/557151601.db2.gz ZPFHDCCKTJFNKE-UHFFFAOYSA-N 0 0 426.391 5.238 50 0 IKAARN CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 ZINC000011467372 557151873 /nfs/dbraw/zinc/15/18/73/557151873.db2.gz ZCQDKCDVEBDISH-UHFFFAOYSA-N 0 0 443.503 5.208 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)no1 ZINC000024578238 557151894 /nfs/dbraw/zinc/15/18/94/557151894.db2.gz QOIROXYXGJGNTQ-UHFFFAOYSA-N 0 0 448.982 5.761 50 0 IKAARN O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000000720085 557152379 /nfs/dbraw/zinc/15/23/79/557152379.db2.gz OALUHLDXZSGKKX-UHFFFAOYSA-N 0 0 440.345 5.006 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000024598463 557152554 /nfs/dbraw/zinc/15/25/54/557152554.db2.gz VLTOAGKTMUKWMR-UHFFFAOYSA-N 0 0 445.544 5.398 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@H]3CCCC[C@H]3C)ccc21 ZINC000072290492 557153798 /nfs/dbraw/zinc/15/37/98/557153798.db2.gz CJPBPRIWHWWCBE-IBVKSMDESA-N 0 0 445.607 5.421 50 0 IKAARN CC(C)(C)c1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 ZINC000016323082 557154730 /nfs/dbraw/zinc/15/47/30/557154730.db2.gz QISKGLSMAFWSNC-NKFKGCMQSA-N 0 0 436.580 5.935 50 0 IKAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3C)n2)cc1 ZINC000011503659 557155139 /nfs/dbraw/zinc/15/51/39/557155139.db2.gz SWPYFHGKXPEGMY-UHFFFAOYSA-N 0 0 435.574 5.264 50 0 IKAARN O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Br)c(F)c1 ZINC000095067908 557156177 /nfs/dbraw/zinc/15/61/77/557156177.db2.gz YRHOGALVSOUYFK-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN Fc1ccccc1COc1ccccc1CNc1ccc(N2CCOCC2)c(Cl)c1 ZINC000006460237 557156390 /nfs/dbraw/zinc/15/63/90/557156390.db2.gz HBZNZRIIIREERJ-UHFFFAOYSA-N 0 0 426.919 5.507 50 0 IKAARN Cc1cc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)ccc1Br ZINC000095117371 557156523 /nfs/dbraw/zinc/15/65/23/557156523.db2.gz MWYZPJPQCKZTHI-UHFFFAOYSA-N 0 0 425.257 5.957 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 ZINC000000727290 557156612 /nfs/dbraw/zinc/15/66/12/557156612.db2.gz IPYFYEIFNNJKAL-SFQUDFHCSA-N 0 0 445.700 5.105 50 0 IKAARN COc1ccc(/C=C/c2cc(C(F)(F)F)nn2-c2nc(-c3ccccc3)cs2)cc1 ZINC000016956897 557158361 /nfs/dbraw/zinc/15/83/61/557158361.db2.gz KCQICWFUMCLEFC-JXMROGBWSA-N 0 0 427.451 6.194 50 0 IKAARN COc1ccc(-c2cs/c(=N/Cc3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000016957197 557158728 /nfs/dbraw/zinc/15/87/28/557158728.db2.gz AKKSRXFYUQADOU-ORIPQNMZSA-N 0 0 439.584 6.050 50 0 IKAARN FC(F)(F)c1c2c(nn1-c1nc(-c3ccc(Cl)cc3)cs1)-c1ccccc1OC2 ZINC000016957341 557158855 /nfs/dbraw/zinc/15/88/55/557158855.db2.gz DCLBOMWSPHIKSL-UHFFFAOYSA-N 0 0 433.842 6.227 50 0 IKAARN Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@H]4[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957571 557159057 /nfs/dbraw/zinc/15/90/57/557159057.db2.gz SNXRDYREUBKUGY-UTKZUKDTSA-N 0 0 429.467 5.156 50 0 IKAARN FC(F)(F)c1cc(Br)c2nc(-c3ccc(Br)cc3)cnc2c1 ZINC000095626619 557159533 /nfs/dbraw/zinc/15/95/33/557159533.db2.gz UXHIWVYMLFNGEL-UHFFFAOYSA-N 0 0 432.037 5.841 50 0 IKAARN CCOc1ccccc1-c1noc(CSc2nnc(-c3ccc(Cl)cc3)n2CC)n1 ZINC000011526294 557159545 /nfs/dbraw/zinc/15/95/45/557159545.db2.gz GURCBNSLDGSTMQ-UHFFFAOYSA-N 0 0 441.944 5.359 50 0 IKAARN O=C(CCc1ccc2c(c1)OCO2)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000024714229 557160113 /nfs/dbraw/zinc/16/01/13/557160113.db2.gz SXNQHKWQQYHEFA-FQEVSTJZSA-N 0 0 446.934 5.431 50 0 IKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000024751226 557162315 /nfs/dbraw/zinc/16/23/15/557162315.db2.gz AXOPTTPGOICYNI-UHFFFAOYSA-N 0 0 435.911 6.569 50 0 IKAARN Cc1ccc(OCCN(C)C(=O)c2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 ZINC000024752024 557162617 /nfs/dbraw/zinc/16/26/17/557162617.db2.gz BMBLDZMUAJGJOH-UHFFFAOYSA-N 0 0 425.532 5.058 50 0 IKAARN CCOc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1OCc1ccccn1 ZINC000024751318 557162653 /nfs/dbraw/zinc/16/26/53/557162653.db2.gz WQSYCAZRPIMDFU-XMMPIXPASA-N 0 0 438.955 5.840 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(-c4ccccc4)n3Cc3ccco3)no2)cc1 ZINC000024754297 557162980 /nfs/dbraw/zinc/16/29/80/557162980.db2.gz NNSRMYXMISZQEB-UHFFFAOYSA-N 0 0 449.923 5.582 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)C[C@@H](C)CC(C)(C)C)CC2 ZINC000023304458 557163032 /nfs/dbraw/zinc/16/30/32/557163032.db2.gz HSFQXAOTZDCGBN-NSYGIPOTSA-N 0 0 444.015 6.294 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000024759707 557163888 /nfs/dbraw/zinc/16/38/88/557163888.db2.gz DKPAIAJPPQTWKL-JOCHJYFZSA-N 0 0 441.358 5.536 50 0 IKAARN O=C(CSc1ccc(-c2ccccc2)nn1)NCCC(c1ccccc1)c1ccccc1 ZINC000000737735 557165740 /nfs/dbraw/zinc/16/57/40/557165740.db2.gz WXLHGIYUYBZBPA-UHFFFAOYSA-N 0 0 439.584 5.574 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)N(Cc1ccco1)Cc1cccnc1 ZINC000024831781 557166116 /nfs/dbraw/zinc/16/61/16/557166116.db2.gz GIJBDACQKJIDNQ-UHFFFAOYSA-N 0 0 425.699 5.243 50 0 IKAARN Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nc(N)c2c1C ZINC000024773979 557166174 /nfs/dbraw/zinc/16/61/74/557166174.db2.gz XGHLETALZMENPQ-SECBINFHSA-N 0 0 427.382 5.316 50 0 IKAARN Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nc(N)c2c1C ZINC000024773987 557166256 /nfs/dbraw/zinc/16/62/56/557166256.db2.gz XGHLETALZMENPQ-VIFPVBQESA-N 0 0 427.382 5.316 50 0 IKAARN CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003154721 557166685 /nfs/dbraw/zinc/16/66/85/557166685.db2.gz WBIROPODPDTISW-QHCPKHFHSA-N 0 0 447.556 7.364 50 0 biogenic IKAARN CCN(CC)C(=O)c1cc(NC(=O)Nc2cccc3ccccc32)ccc1N1CCCCC1 ZINC000000750746 557167888 /nfs/dbraw/zinc/16/78/88/557167888.db2.gz KKRGPUBCRIUQPY-UHFFFAOYSA-N 0 0 444.579 5.956 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc43)n2-c2ccccc2)cc1 ZINC000018010876 557168848 /nfs/dbraw/zinc/16/88/48/557168848.db2.gz WBCKMGKHHGQGCM-UHFFFAOYSA-N 0 0 440.528 5.495 50 0 aggregator IKAARN COc1cc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)[nH]c2c(OC)c1OC ZINC000024824304 557169067 /nfs/dbraw/zinc/16/90/67/557169067.db2.gz VKRLSIONUNINGP-UHFFFAOYSA-N 0 0 440.883 5.037 50 0 IKAARN Cc1ccc(NC(=O)c2nnc(CSc3nccn3-c3cccc(C)c3C)s2)cc1 ZINC000024829217 557169764 /nfs/dbraw/zinc/16/97/64/557169764.db2.gz HNKMFGMICGHISF-UHFFFAOYSA-N 0 0 435.578 5.194 50 0 IKAARN CCOc1ccc(-n2c3nc(SC)n(-c4ccccc4)c(=O)c3sc2=S)cc1 ZINC000000756705 557170274 /nfs/dbraw/zinc/17/02/74/557170274.db2.gz OJNUTMBWSBAWSF-UHFFFAOYSA-N 0 0 427.576 5.088 50 0 IKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4ccc(C)c(C)c4)sc3nc3c2CCCC3)o1 ZINC000000756800 557170382 /nfs/dbraw/zinc/17/03/82/557170382.db2.gz ATMOHGVUADCLJZ-UHFFFAOYSA-N 0 0 431.561 6.195 50 0 IKAARN CCn1c2nc(SCc3ccccc3C)n(-c3ccccc3)c(=O)c2sc1=S ZINC000000756707 557170394 /nfs/dbraw/zinc/17/03/94/557170394.db2.gz WMNJCZHAGLKQMN-UHFFFAOYSA-N 0 0 425.604 5.599 50 0 IKAARN CC(C)c1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 ZINC000000756767 557170414 /nfs/dbraw/zinc/17/04/14/557170414.db2.gz YUXMFWVYBZYQKV-UHFFFAOYSA-N 0 0 447.629 6.862 50 0 IKAARN FC(F)(F)c1cccc(Nc2nc(NCCC3=CCCCC3)nc(N3CCCC3)n2)c1 ZINC000000756815 557170449 /nfs/dbraw/zinc/17/04/49/557170449.db2.gz SDYAQOBFLVASML-UHFFFAOYSA-N 0 0 432.494 5.537 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207014207 557170785 /nfs/dbraw/zinc/17/07/85/557170785.db2.gz MTTSSBLKPWUHEI-HNNXBMFYSA-N 0 0 445.972 5.090 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 ZINC000024831877 557170897 /nfs/dbraw/zinc/17/08/97/557170897.db2.gz OSFNWICCEFKZLS-INIZCTEOSA-N 0 0 434.569 5.642 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1-c1nnc2n1CCCCC2 ZINC000024842206 557173516 /nfs/dbraw/zinc/17/35/16/557173516.db2.gz JJEOFUKJMWXOOW-UHFFFAOYSA-N 0 0 438.531 5.356 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc2)cs1 ZINC000024843055 557173826 /nfs/dbraw/zinc/17/38/26/557173826.db2.gz WORNGVQHWLSUEZ-UHFFFAOYSA-N 0 0 446.429 5.714 50 0 IKAARN COc1ccc(-c2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)cs2)c(OC)c1 ZINC000024843668 557173855 /nfs/dbraw/zinc/17/38/55/557173855.db2.gz VVDLWLLHQRTNGN-SFHVURJKSA-N 0 0 430.595 5.070 50 0 IKAARN CCn1c(SCC(=O)Nc2nc3c(cccc3C)s2)nnc1-c1cc2ccccc2o1 ZINC000008784812 557173879 /nfs/dbraw/zinc/17/38/79/557173879.db2.gz DAZXKKSDVLNRHQ-UHFFFAOYSA-N 0 0 449.561 5.360 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000000779480 557174597 /nfs/dbraw/zinc/17/45/97/557174597.db2.gz DKKAEBNTCBNCFO-XMMPIXPASA-N 0 0 431.532 5.385 50 0 biogenic IKAARN CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000000779479 557174661 /nfs/dbraw/zinc/17/46/61/557174661.db2.gz DKKAEBNTCBNCFO-DEOSSOPVSA-N 0 0 431.532 5.385 50 0 biogenic IKAARN CC(=O)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 ZINC000000780268 557175750 /nfs/dbraw/zinc/17/57/50/557175750.db2.gz WGNLKQKKUXOWJZ-UHFFFAOYSA-N 0 0 447.585 5.253 50 0 IKAARN CCc1ccc(N(C(=O)[C@@H]2CC(=O)Nc3ccccc32)c2nc3ccccc3s2)cc1 ZINC000024905892 557178246 /nfs/dbraw/zinc/17/82/46/557178246.db2.gz CLFRCIRNQIZGRO-LJQANCHMSA-N 0 0 427.529 5.649 50 0 IKAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000024927503 557180396 /nfs/dbraw/zinc/18/03/96/557180396.db2.gz CWVWEARCWPZZST-UHFFFAOYSA-N 0 0 445.494 5.522 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000024927433 557180497 /nfs/dbraw/zinc/18/04/97/557180497.db2.gz HXOQIAAHQBADNW-QFIPXVFZSA-N 0 0 430.558 5.196 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000024928609 557180827 /nfs/dbraw/zinc/18/08/27/557180827.db2.gz PHTABWPWHKQLMR-UHFFFAOYSA-N 0 0 449.359 5.284 50 0 IKAARN O=C(CCOc1cccc2ccccc21)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024934727 557181082 /nfs/dbraw/zinc/18/10/82/557181082.db2.gz MCTJNMIACYPTNZ-XMMPIXPASA-N 0 0 425.532 5.047 50 0 IKAARN CC(C)CNC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000024973130 557184263 /nfs/dbraw/zinc/18/42/63/557184263.db2.gz KACQMYBJVGECDV-UHFFFAOYSA-N 0 0 449.982 5.180 50 0 IKAARN COc1ccc(CCCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1C ZINC000009261113 557184271 /nfs/dbraw/zinc/18/42/71/557184271.db2.gz CCSKTXNTKFCBGJ-UHFFFAOYSA-N 0 0 436.408 5.907 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCn4c5ccccc5nc43)cc12 ZINC000024983215 557185543 /nfs/dbraw/zinc/18/55/43/557185543.db2.gz SLZOJAADXSKARM-UHFFFAOYSA-N 0 0 447.951 5.118 50 0 IKAARN Cc1cc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(C)n1C(C)C ZINC000024988026 557186752 /nfs/dbraw/zinc/18/67/52/557186752.db2.gz VJONNTKYKOCZAV-UHFFFAOYSA-N 0 0 443.591 5.405 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccco1 ZINC000009329078 557187580 /nfs/dbraw/zinc/18/75/80/557187580.db2.gz HZXZLUBBUKPTSH-UHFFFAOYSA-N 0 0 444.866 5.522 50 0 IKAARN Clc1ccccc1N[C@H](c1nnnn1C1CCCCC1)c1ccc(Br)cc1 ZINC000003176226 557187731 /nfs/dbraw/zinc/18/77/31/557187731.db2.gz AXXNVXAPTGYZJQ-IBGZPJMESA-N 0 0 446.780 5.796 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(C)n1C1CC1 ZINC000024992368 557187986 /nfs/dbraw/zinc/18/79/86/557187986.db2.gz JDEUQTQRLFCQKJ-UHFFFAOYSA-N 0 0 443.956 5.146 50 0 IKAARN Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)cc1 ZINC000009426780 557188472 /nfs/dbraw/zinc/18/84/72/557188472.db2.gz FXYFWAYSZPUVQW-SFHVURJKSA-N 0 0 446.551 5.498 50 0 IKAARN CCc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1-c1ccccc1 ZINC000009426825 557188950 /nfs/dbraw/zinc/18/89/50/557188950.db2.gz BJJJKMBWCUYVFT-UHFFFAOYSA-N 0 0 441.771 5.521 50 0 IKAARN COC(=O)c1occc1CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 ZINC000025025510 557189695 /nfs/dbraw/zinc/18/96/95/557189695.db2.gz IOKNGBWJNDRPKE-UHFFFAOYSA-N 0 0 449.532 5.135 50 0 IKAARN Cc1cccc(-c2nc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n[nH]2)c1 ZINC000009582275 557190461 /nfs/dbraw/zinc/19/04/61/557190461.db2.gz XOASFWDOPZSFIM-UHFFFAOYSA-N 0 0 427.744 5.471 50 0 IKAARN Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100841446 557190904 /nfs/dbraw/zinc/19/09/04/557190904.db2.gz JYJRWSQZRBROFA-NRFANRHFSA-N 0 0 437.305 6.447 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccncc2)o1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000025054454 557192122 /nfs/dbraw/zinc/19/21/22/557192122.db2.gz CJGHYOPMEFBUKF-OAHLLOKOSA-N 0 0 447.951 6.036 50 0 IKAARN Cc1ccccc1CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1-c1ccccc1 ZINC000009668979 557192455 /nfs/dbraw/zinc/19/24/55/557192455.db2.gz PCUJFNOBCYHCSQ-IBGZPJMESA-N 0 0 428.561 5.359 50 0 IKAARN Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1-c1ccccc1 ZINC000009668978 557192474 /nfs/dbraw/zinc/19/24/74/557192474.db2.gz PCUJFNOBCYHCSQ-LJQANCHMSA-N 0 0 428.561 5.359 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccccc4s3)c3c(C)noc3n2)s1 ZINC000025058945 557192833 /nfs/dbraw/zinc/19/28/33/557192833.db2.gz LZHAZXKAQIEYCO-UHFFFAOYSA-N 0 0 434.546 5.450 50 0 IKAARN CCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 ZINC000100858210 557193068 /nfs/dbraw/zinc/19/30/68/557193068.db2.gz NPDXNCLYKWHWPQ-CYYJNZCTSA-N 0 0 427.573 6.501 50 0 IKAARN COCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 ZINC000100858250 557193106 /nfs/dbraw/zinc/19/31/06/557193106.db2.gz RUZAREAIOWFWCL-OCEACIFDSA-N 0 0 429.545 5.348 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)N1CC=C(c3ccc(O)cc3)CC1)oc1ccccc12 ZINC000025062179 557193181 /nfs/dbraw/zinc/19/31/81/557193181.db2.gz RWLSIZBWMSKTIJ-KRWDZBQOSA-N 0 0 442.515 5.417 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)Nc1ccccc1 ZINC000096276278 557193501 /nfs/dbraw/zinc/19/35/01/557193501.db2.gz MUYYYVLJKRXEBD-LJQANCHMSA-N 0 0 432.907 5.753 50 0 IKAARN CCN(CC)C(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000096290104 557194297 /nfs/dbraw/zinc/19/42/97/557194297.db2.gz HDDGKSLPWKJVQV-UHFFFAOYSA-N 0 0 425.576 6.086 50 0 IKAARN Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 ZINC000025068675 557194285 /nfs/dbraw/zinc/19/42/85/557194285.db2.gz IJVWBKWMMUUCTE-NFBKMPQASA-N 0 0 433.577 5.206 50 0 IKAARN Cc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 ZINC000025068691 557194306 /nfs/dbraw/zinc/19/43/06/557194306.db2.gz IJVWBKWMMUUCTE-REWPJTCUSA-N 0 0 433.577 5.206 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@@H](C)O)cc4)cc3N2)cc1 ZINC000013387906 557194893 /nfs/dbraw/zinc/19/48/93/557194893.db2.gz GICSYISSFVMOKN-WNYOCNMUSA-N 0 0 444.457 5.157 50 0 IKAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000010979627 557199821 /nfs/dbraw/zinc/19/98/21/557199821.db2.gz OSMSKSRFUVHLSX-UHFFFAOYSA-N 0 0 438.409 5.128 50 0 IKAARN CC(C)(C)c1ccc(OCCCSCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000025223798 557200520 /nfs/dbraw/zinc/20/05/20/557200520.db2.gz YCIWQGNQKHRHGN-UHFFFAOYSA-N 0 0 440.609 5.017 50 0 IKAARN CCOC(=O)C(=CNc1ccc(Cl)cc1)Sc1ncc(C(F)(F)F)cc1Cl ZINC000100919109 557202053 /nfs/dbraw/zinc/20/20/53/557202053.db2.gz FRHDHSXEALVZHZ-ZROIWOOFSA-N 0 0 437.270 6.016 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000025276435 557202069 /nfs/dbraw/zinc/20/20/69/557202069.db2.gz HXIMXPPGJCVGMU-UHFFFAOYSA-N 0 0 442.928 5.467 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000025276480 557202112 /nfs/dbraw/zinc/20/21/12/557202112.db2.gz ZNHXNXXMHILARS-UHFFFAOYSA-N 0 0 440.503 5.385 50 0 IKAARN Clc1cc(Cl)cc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000025285463 557202504 /nfs/dbraw/zinc/20/25/04/557202504.db2.gz VITDSFGNUZXOJO-UHFFFAOYSA-N 0 0 435.380 5.063 50 0 IKAARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000025326977 557204246 /nfs/dbraw/zinc/20/42/46/557204246.db2.gz SLVFUSWOSMTWCX-UHFFFAOYSA-N 0 0 447.585 5.191 50 0 IKAARN CCO[P@](=O)(NCc1ccccc1)C(NC(=O)c1ccc(C)cc1)=C(Cl)Cl ZINC000072238697 557204506 /nfs/dbraw/zinc/20/45/06/557204506.db2.gz YKNPJBSXJINTRB-MHZLTWQESA-N 0 0 427.268 5.348 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Nc3ccc(N4CCOCC4)cc3)ccc21 ZINC000025390125 557207454 /nfs/dbraw/zinc/20/74/54/557207454.db2.gz MMNSXWVBKRHBCX-IBGZPJMESA-N 0 0 442.563 5.090 50 0 IKAARN O=C(Nc1ccc(I)cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000025390042 557207466 /nfs/dbraw/zinc/20/74/66/557207466.db2.gz OVCHNOXWXLSTEH-UHFFFAOYSA-N 0 0 447.247 5.262 50 0 IKAARN CN(CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000025393140 557207591 /nfs/dbraw/zinc/20/75/91/557207591.db2.gz GLLHTZZXMONJPB-NDEPHWFRSA-N 0 0 433.555 5.650 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000025396628 557207610 /nfs/dbraw/zinc/20/76/10/557207610.db2.gz WIQROYORNQGELU-JOCHJYFZSA-N 0 0 443.572 5.320 50 0 IKAARN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000025395231 557207728 /nfs/dbraw/zinc/20/77/28/557207728.db2.gz RABBJBVCRXHFAI-QFIPXVFZSA-N 0 0 445.950 5.463 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000023308583 557208010 /nfs/dbraw/zinc/20/80/10/557208010.db2.gz FDBLQUVHECWLFR-KXBFYZLASA-N 0 0 433.474 5.498 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)COc2cc(C)ccc2C(C)C)[C@@H]3CCC1 ZINC000169617842 557208147 /nfs/dbraw/zinc/20/81/47/557208147.db2.gz BYRLEBUQASPPDN-QFQXNSOFSA-N 0 0 432.608 5.514 50 0 IKAARN Brc1cccc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169620358 557208591 /nfs/dbraw/zinc/20/85/91/557208591.db2.gz YVFFQMSECYOEPY-UHFFFAOYSA-N 0 0 439.356 6.639 50 0 IKAARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100961972 557208619 /nfs/dbraw/zinc/20/86/19/557208619.db2.gz SBXXZWYDZDXGMP-NXCFDTQHSA-N 0 0 434.495 5.199 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000025434594 557209634 /nfs/dbraw/zinc/20/96/34/557209634.db2.gz AQTIVACOLZPZJS-UHFFFAOYSA-N 0 0 441.457 5.190 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CCCN(C(=O)c5ccco5)C4)cc3)sc2c1 ZINC000025454351 557210463 /nfs/dbraw/zinc/21/04/63/557210463.db2.gz YAVMQDWFTJOIHZ-SFHVURJKSA-N 0 0 445.544 5.356 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000011614343 557210775 /nfs/dbraw/zinc/21/07/75/557210775.db2.gz VHLURMXGYVJZBF-JOCHJYFZSA-N 0 0 428.488 5.445 50 0 IKAARN COc1cc(-c2c(NCCc3ccccc3)oc3cc(C)oc(=O)c32)cc(OC)c1OC ZINC000011615607 557211430 /nfs/dbraw/zinc/21/14/30/557211430.db2.gz JPTVOJQUSAPEPQ-UHFFFAOYSA-N 0 0 435.476 5.042 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Br)cc1)CCCCCC3 ZINC000011616066 557212037 /nfs/dbraw/zinc/21/20/37/557212037.db2.gz KWJXUFDBJGNCFC-UHFFFAOYSA-N 0 0 430.371 5.552 50 0 IKAARN Cc1ccc(NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 ZINC000011617230 557212738 /nfs/dbraw/zinc/21/27/38/557212738.db2.gz KAOFSWAOJRANOO-UHFFFAOYSA-N 0 0 441.531 5.418 50 0 IKAARN CCCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000011617221 557212773 /nfs/dbraw/zinc/21/27/73/557212773.db2.gz KCAFLZHESRMYBM-UHFFFAOYSA-N 0 0 442.540 6.082 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1cccs1 ZINC000101011777 557213242 /nfs/dbraw/zinc/21/32/42/557213242.db2.gz XTMPXFLWMGGQHE-GOSISDBHSA-N 0 0 433.924 5.301 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1cccs1 ZINC000101011775 557213277 /nfs/dbraw/zinc/21/32/77/557213277.db2.gz XTMPXFLWMGGQHE-SFHVURJKSA-N 0 0 433.924 5.301 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccccc1 ZINC000101010452 557213282 /nfs/dbraw/zinc/21/32/82/557213282.db2.gz WVUVANWOBPUONT-OAQYLSRUSA-N 0 0 445.885 5.379 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)o1)N1c2ccccc2CCc2ccccc21 ZINC000025538522 557213398 /nfs/dbraw/zinc/21/33/98/557213398.db2.gz IBFJBPKJNXRXTN-UHFFFAOYSA-N 0 0 427.529 5.216 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)co2)cc1 ZINC000025536892 557213514 /nfs/dbraw/zinc/21/35/14/557213514.db2.gz WSVDYJLQYZLUAH-UHFFFAOYSA-N 0 0 439.544 5.893 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2Br)cc1 ZINC000025558641 557214028 /nfs/dbraw/zinc/21/40/28/557214028.db2.gz HRIQKYSYHRQYIC-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN COc1cc2c(cc1NC(=O)CNc1ccccc1Br)oc1ccccc12 ZINC000011621386 557214583 /nfs/dbraw/zinc/21/45/83/557214583.db2.gz KEKFGHJDFBESHL-UHFFFAOYSA-N 0 0 425.282 5.408 50 0 IKAARN CC(=O)O[C@@H](C(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 ZINC000023314327 557214981 /nfs/dbraw/zinc/21/49/81/557214981.db2.gz LUHRBUHRQPPHNV-MUUNZHRXSA-N 0 0 441.571 5.829 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000025572859 557215366 /nfs/dbraw/zinc/21/53/66/557215366.db2.gz WYFMNELGVJKICS-RBBKRZOGSA-N 0 0 429.333 6.038 50 0 IKAARN c1ccc2sc(-c3ccc4oc5ccc(-c6nc7ccccc7s6)cc5c4c3)nc2c1 ZINC000025575611 557215611 /nfs/dbraw/zinc/21/56/11/557215611.db2.gz CMPFDOYWYBAUET-UHFFFAOYSA-N 0 0 434.545 8.139 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)csc2=N[C@@H]2CCc3ccccc3C2=O)cc1 ZINC000025576035 557215726 /nfs/dbraw/zinc/21/57/26/557215726.db2.gz RYZNHFDZPWCQEK-WNMDNWPKSA-N 0 0 444.987 6.266 50 0 IKAARN CC(=O)Oc1cccc(C(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)c1C ZINC000023317258 557215952 /nfs/dbraw/zinc/21/59/52/557215952.db2.gz AKSVYGABMYWVFI-UHFFFAOYSA-N 0 0 427.544 5.682 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1OC ZINC000025579319 557216014 /nfs/dbraw/zinc/21/60/14/557216014.db2.gz KTJAFMQHTUOKDH-PXDATVDWSA-N 0 0 434.923 5.908 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCCC2)cc1OC ZINC000025579065 557216068 /nfs/dbraw/zinc/21/60/68/557216068.db2.gz WSSCHTWWRKZOAF-GOSISDBHSA-N 0 0 443.341 5.280 50 0 IKAARN CN(C)C(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccccc1 ZINC000025581177 557216346 /nfs/dbraw/zinc/21/63/46/557216346.db2.gz MFXBFDAIUFKEPM-CPNJWEJPSA-N 0 0 429.303 5.113 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)c1 ZINC000025581920 557216684 /nfs/dbraw/zinc/21/66/84/557216684.db2.gz UXQGZXXFEUNYLH-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000025582122 557216704 /nfs/dbraw/zinc/21/67/04/557216704.db2.gz ILTVNBQABQMWBD-ILBGXUMGSA-N 0 0 428.488 5.114 50 0 IKAARN CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582299 557216720 /nfs/dbraw/zinc/21/67/20/557216720.db2.gz IOCFQSZAKAGXAA-QPPBQGQZSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000025582228 557216732 /nfs/dbraw/zinc/21/67/32/557216732.db2.gz UWWQCXXZHASYQG-BKMJKUGQSA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000025582722 557216962 /nfs/dbraw/zinc/21/69/62/557216962.db2.gz YCTWYGIHODUDOI-ZJSXRUAMSA-N 0 0 449.348 6.008 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1Br ZINC000025582669 557217003 /nfs/dbraw/zinc/21/70/03/557217003.db2.gz DRNNPHFLRGTFHV-XUZZJYLKSA-N 0 0 449.348 6.008 50 0 IKAARN Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)c1 ZINC000101059293 557217154 /nfs/dbraw/zinc/21/71/54/557217154.db2.gz VXLWIXBFNLKZLX-UHFFFAOYSA-N 0 0 442.740 6.203 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)n2cnc(-c3cccs3)cc12 ZINC000025584420 557217308 /nfs/dbraw/zinc/21/73/08/557217308.db2.gz GGKWJEFDONVXLK-UHFFFAOYSA-N 0 0 444.434 5.489 50 0 IKAARN O=C(c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2cnc3ccccc3c12)c1ccccc1 ZINC000025584476 557217363 /nfs/dbraw/zinc/21/73/63/557217363.db2.gz NOHQBNURZITZTH-UHFFFAOYSA-N 0 0 444.412 5.968 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc(OC)c1OC ZINC000025583267 557217377 /nfs/dbraw/zinc/21/73/77/557217377.db2.gz HWZPWUIKELGLAI-CPJSRVTESA-N 0 0 434.467 5.094 50 0 IKAARN O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000025613089 557219388 /nfs/dbraw/zinc/21/93/88/557219388.db2.gz POCVOGUKQGUGLQ-UHFFFAOYSA-N 0 0 447.498 5.209 50 0 IKAARN Cc1ccc(CCC2CCN(C(=O)c3ccccc3N(C)C(=O)c3cccs3)CC2)cc1 ZINC000025710457 557222971 /nfs/dbraw/zinc/22/29/71/557222971.db2.gz MTYZPUZAEIASMP-UHFFFAOYSA-N 0 0 446.616 5.818 50 0 IKAARN CCOC(=O)c1c2c(sc1C1=NNc3cc(Cl)c(Cl)cc3N1O)CCCCC2 ZINC000025781839 557225751 /nfs/dbraw/zinc/22/57/51/557225751.db2.gz KKMGNZJBDVAXKF-UHFFFAOYSA-N 0 0 440.352 5.483 50 0 IKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782876 557225793 /nfs/dbraw/zinc/22/57/93/557225793.db2.gz WWUJVYCIVPUKRG-SIKLNZKXSA-N 0 0 447.724 7.028 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000025782652 557225861 /nfs/dbraw/zinc/22/58/61/557225861.db2.gz JMTIOEPSSCCSQK-DENIHFKCSA-N 0 0 431.269 6.514 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1ccccc1O[C@H]2c1cccc(Cl)c1 ZINC000025783794 557226087 /nfs/dbraw/zinc/22/60/87/557226087.db2.gz QEIYBEYZJLEQCU-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000025783739 557226213 /nfs/dbraw/zinc/22/62/13/557226213.db2.gz YKVKICAZLCIFEB-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783927 557226390 /nfs/dbraw/zinc/22/63/90/557226390.db2.gz MTHWFNCRTHBAJG-GOTSBHOMSA-N 0 0 448.860 5.422 50 0 IKAARN Cc1sc2nc(SCc3csc(COc4ccc(F)cc4)n3)nc(N)c2c1C ZINC000043808404 557228914 /nfs/dbraw/zinc/22/89/14/557228914.db2.gz NXOQTIDZJQAZHZ-UHFFFAOYSA-N 0 0 432.571 5.357 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000025868998 557229076 /nfs/dbraw/zinc/22/90/76/557229076.db2.gz JWPFNQGFLLGXRP-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025902729 557229673 /nfs/dbraw/zinc/22/96/73/557229673.db2.gz CJUYATNNMHJPCO-VWLOTQADSA-N 0 0 432.520 5.649 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025902736 557229716 /nfs/dbraw/zinc/22/97/16/557229716.db2.gz CJUYATNNMHJPCO-RUZDIDTESA-N 0 0 432.520 5.649 50 0 IKAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000025918828 557230269 /nfs/dbraw/zinc/23/02/69/557230269.db2.gz FSKGHZHBMQWWIR-KRWDZBQOSA-N 0 0 439.544 5.377 50 0 IKAARN O=C(NCCCc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023318548 557231289 /nfs/dbraw/zinc/23/12/89/557231289.db2.gz QWOAKHXAFXVLAM-AREMUKBSSA-N 0 0 448.010 5.389 50 0 IKAARN CCCCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000023319849 557231574 /nfs/dbraw/zinc/23/15/74/557231574.db2.gz CWHHOMYEZNEKDT-UHFFFAOYSA-N 0 0 436.621 5.463 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC[C@@H](CC)CCCC)cc2)cc1 ZINC000023319979 557231595 /nfs/dbraw/zinc/23/15/95/557231595.db2.gz NTUCEYLZHHCUNX-QFIPXVFZSA-N 0 0 431.624 6.828 50 0 IKAARN CC(C)=CCC/C(C)=C/CNC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000023319795 557231661 /nfs/dbraw/zinc/23/16/61/557231661.db2.gz YLFMVGKFDINIQS-FYJGNVAPSA-N 0 0 427.592 6.579 50 0 IKAARN COc1ccc2nc(-c3ccc(NC(=O)CC(c4ccccc4)c4ccccc4)cc3)cn2n1 ZINC000011693493 557232591 /nfs/dbraw/zinc/23/25/91/557232591.db2.gz BUZWINFBILJEQV-UHFFFAOYSA-N 0 0 448.526 5.566 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023321573 557232541 /nfs/dbraw/zinc/23/25/41/557232541.db2.gz XZNCPBAPXHMLRR-UHFFFAOYSA-N 0 0 425.981 5.650 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)cc1F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072696 557232943 /nfs/dbraw/zinc/23/29/43/557232943.db2.gz OXIJGUNWAYQZMS-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN Cc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072992 557233151 /nfs/dbraw/zinc/23/31/51/557233151.db2.gz VVZQWHZNWUPVPZ-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072977 557233172 /nfs/dbraw/zinc/23/31/72/557233172.db2.gz XQOJUBPCZIZYTD-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 ZINC000002474716 557233249 /nfs/dbraw/zinc/23/32/49/557233249.db2.gz MCDMIBHTTQBFAB-LNSITVRQSA-N 0 0 438.837 5.281 50 0 IKAARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072971 557233345 /nfs/dbraw/zinc/23/33/45/557233345.db2.gz UOMTYTFQCOKOKY-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073052 557233366 /nfs/dbraw/zinc/23/33/66/557233366.db2.gz KKNBUIILVXWTPY-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN C[C@H](C(=O)Nc1ccc(Br)cc1F)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073325 557233657 /nfs/dbraw/zinc/23/36/57/557233657.db2.gz IXQGTGOOBMTDFD-AWEZNQCLSA-N 0 0 426.285 5.561 50 0 IKAARN CCCC(Pc1ccccc1-c1ccccc1)Pc1ccccc1-c1ccccc1 ZINC000098074331 557233669 /nfs/dbraw/zinc/23/36/69/557233669.db2.gz JUCQEVQAXBKBAA-UHFFFAOYSA-N 0 0 426.480 7.455 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073081 557233697 /nfs/dbraw/zinc/23/36/97/557233697.db2.gz OQJOBVMVAKQQKT-CQSZACIVSA-N 0 0 426.285 5.561 50 0 IKAARN Cc1ccc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc1Cl ZINC000032950150 557233733 /nfs/dbraw/zinc/23/37/33/557233733.db2.gz LHJOTOICRNCUJV-UHFFFAOYSA-N 0 0 425.964 5.461 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026089957 557233958 /nfs/dbraw/zinc/23/39/58/557233958.db2.gz AQMQZBFIWIHBBL-UHFFFAOYSA-N 0 0 435.574 5.301 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026091086 557234328 /nfs/dbraw/zinc/23/43/28/557234328.db2.gz YHCCUSGWMQRTHL-UHFFFAOYSA-N 0 0 435.574 5.049 50 0 IKAARN COCCN(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000018079692 557235401 /nfs/dbraw/zinc/23/54/01/557235401.db2.gz FSOJYQICQJTQAE-UHFFFAOYSA-N 0 0 430.426 5.182 50 0 IKAARN O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000026129548 557235746 /nfs/dbraw/zinc/23/57/46/557235746.db2.gz GFXHPPDQXBZFCQ-NRFANRHFSA-N 0 0 427.401 5.169 50 0 IKAARN CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(-c4ccoc4C)o3)cs2)cc1 ZINC000026129138 557235786 /nfs/dbraw/zinc/23/57/86/557235786.db2.gz SKJYJOFALCDUKA-UHFFFAOYSA-N 0 0 440.550 5.634 50 0 IKAARN O=C(Cc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000026129550 557235817 /nfs/dbraw/zinc/23/58/17/557235817.db2.gz GFXHPPDQXBZFCQ-OAQYLSRUSA-N 0 0 427.401 5.169 50 0 IKAARN CC(C)N(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccccc1Cl ZINC000101086209 557236380 /nfs/dbraw/zinc/23/63/80/557236380.db2.gz AYGKJRITQIGSKJ-UHFFFAOYSA-N 0 0 448.748 5.246 50 0 IKAARN COc1ccccc1/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 ZINC000100026362 557237566 /nfs/dbraw/zinc/23/75/66/557237566.db2.gz FOSIJFKMOGKKTI-VYIQYICTSA-N 0 0 446.304 5.980 50 0 IKAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1Cl ZINC000032950781 557238620 /nfs/dbraw/zinc/23/86/20/557238620.db2.gz LRAPSIQPBXOONB-UHFFFAOYSA-N 0 0 438.314 5.317 50 0 IKAARN Cc1cc(C)c2nc(S[C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)nc(C)c2c1 ZINC000100119853 557241451 /nfs/dbraw/zinc/24/14/51/557241451.db2.gz CFPQTQNYGUJIPV-NRFANRHFSA-N 0 0 427.529 5.132 50 0 IKAARN Cc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)Nc3ccc(Cl)cc3Cl)co2)c(C)c1 ZINC000026461302 557241875 /nfs/dbraw/zinc/24/18/75/557241875.db2.gz BURXMFJXDRMTEJ-OAQYLSRUSA-N 0 0 444.362 5.868 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCc3ccccc3Cl)[C@@H]2C2=C1CCC2 ZINC000026464412 557241950 /nfs/dbraw/zinc/24/19/50/557241950.db2.gz SHQASUGBCQYCKT-UGKGYDQZSA-N 0 0 442.053 7.063 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SC/C=C/c3ccccc3)[C@H]2C2=C1CCC2 ZINC000026464481 557241964 /nfs/dbraw/zinc/24/19/64/557241964.db2.gz PWVPWAURTPDLKF-ZGXDCCKXSA-N 0 0 433.646 6.923 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SC/C=C/c3ccccc3)[C@@H]2C2=C1CCC2 ZINC000026464468 557241968 /nfs/dbraw/zinc/24/19/68/557241968.db2.gz PWVPWAURTPDLKF-XNSNBUMYSA-N 0 0 433.646 6.923 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SC/C=C/c3ccccc3)[C@@H]2C2=C1CCC2 ZINC000026464461 557241990 /nfs/dbraw/zinc/24/19/90/557241990.db2.gz PWVPWAURTPDLKF-JSICGULGSA-N 0 0 433.646 6.923 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nccc(C(F)(F)F)n2)c2ccccc2)c1 ZINC000026477103 557242335 /nfs/dbraw/zinc/24/23/35/557242335.db2.gz OFCAIMWNICPTBU-GOSISDBHSA-N 0 0 431.439 5.170 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000026496335 557242573 /nfs/dbraw/zinc/24/25/73/557242573.db2.gz UUWMUCVFFZGBSE-GOSISDBHSA-N 0 0 438.833 5.184 50 0 IKAARN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101090326 557244269 /nfs/dbraw/zinc/24/42/69/557244269.db2.gz ZVBJMQNTKVGGNM-VJGNERBWSA-N 0 0 448.522 5.453 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4C)C3)nn2)cc1 ZINC000032951506 557244837 /nfs/dbraw/zinc/24/48/37/557244837.db2.gz DWLPPXADJIFWBC-GOSISDBHSA-N 0 0 436.556 5.239 50 0 IKAARN CCOc1cccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)c1 ZINC000032951354 557245504 /nfs/dbraw/zinc/24/55/04/557245504.db2.gz RKTJNYCSPWUCKM-UHFFFAOYSA-N 0 0 446.576 6.083 50 0 IKAARN CC(C)(C)C(=O)[C@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 ZINC000018173348 557245608 /nfs/dbraw/zinc/24/56/08/557245608.db2.gz WQYMXSDLXWSBIZ-INIZCTEOSA-N 0 0 447.375 5.726 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(Br)cc3)o2)cc1C ZINC000026623592 557245823 /nfs/dbraw/zinc/24/58/23/557245823.db2.gz MVMXVRKHWXSNBP-MRXNPFEDSA-N 0 0 427.342 5.531 50 0 IKAARN Cc1ccc(CCC2CCN(C(=O)c3ccccc3SCC(=O)NC(C)C)CC2)cc1 ZINC000026655749 557246221 /nfs/dbraw/zinc/24/62/21/557246221.db2.gz QIKJPDYTGWKOBX-UHFFFAOYSA-N 0 0 438.637 5.097 50 0 IKAARN CC(=O)c1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000018190851 557246412 /nfs/dbraw/zinc/24/64/12/557246412.db2.gz DAIDJCKCVREKRS-UHFFFAOYSA-N 0 0 426.307 5.685 50 0 IKAARN Cc1ccc2c(nc3s/c(=C\c4ccc(-c5cc(Cl)cc(Cl)c5)o4)c(=O)n23)c1C ZINC000018193039 557247054 /nfs/dbraw/zinc/24/70/54/557247054.db2.gz HYCSWCUHJMRLLX-GRSHGNNSSA-N 0 0 441.339 5.641 50 0 IKAARN COc1cc(C2SCCS2)ccc1OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000026770516 557247783 /nfs/dbraw/zinc/24/77/83/557247783.db2.gz IHNJKFGULJYSRI-UHFFFAOYSA-N 0 0 449.981 5.173 50 0 IKAARN O=S(=O)(c1ccccc1F)N(Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccco1 ZINC000026777382 557248052 /nfs/dbraw/zinc/24/80/52/557248052.db2.gz QQMJGNJCCIMVRM-UHFFFAOYSA-N 0 0 446.887 5.118 50 0 IKAARN Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000026829449 557249482 /nfs/dbraw/zinc/24/94/82/557249482.db2.gz RFFYCFQYWGCQFK-GOSISDBHSA-N 0 0 447.585 5.745 50 0 IKAARN CCN(C(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21)c1nc2ccccc2s1 ZINC000026908629 557250887 /nfs/dbraw/zinc/25/08/87/557250887.db2.gz AEOITEHYTXTSKB-UHFFFAOYSA-N 0 0 434.546 5.845 50 0 IKAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCc1cccc(Cl)c1 ZINC000032952553 557251241 /nfs/dbraw/zinc/25/12/41/557251241.db2.gz UPMBLOXMUXQQMR-UHFFFAOYSA-N 0 0 431.995 5.461 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc3ccccc31)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018208524 557251808 /nfs/dbraw/zinc/25/18/08/557251808.db2.gz YAFPRMDPAABEAK-QEFMBMMRSA-N 0 0 429.519 6.083 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018209719 557251919 /nfs/dbraw/zinc/25/19/19/557251919.db2.gz KBLAWJVQNXOOKK-BGYRXZFFSA-N 0 0 426.564 5.969 50 0 IKAARN Cc1ccc(C)c(CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)n2C)c1 ZINC000032952737 557252170 /nfs/dbraw/zinc/25/21/70/557252170.db2.gz OOQOQYHJEUKLQV-UHFFFAOYSA-N 0 0 439.631 5.733 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCc3ccc(F)cc3)[C@@H]2C2=C1CCC2 ZINC000026960001 557252181 /nfs/dbraw/zinc/25/21/81/557252181.db2.gz NXDVBQMZXBFQBS-SIKLNZKXSA-N 0 0 425.598 6.549 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncn4c(SCc5ccccc5)nnc34)[C@H]2C2=C1CCC2 ZINC000026959957 557252185 /nfs/dbraw/zinc/25/21/85/557252185.db2.gz GPPLAZKVPMJOLV-XXBNENTESA-N 0 0 447.633 6.057 50 0 IKAARN Cc1ccccc1CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)n1C ZINC000032952766 557252499 /nfs/dbraw/zinc/25/24/99/557252499.db2.gz KVSDWNOMMWKOSB-UHFFFAOYSA-N 0 0 446.022 5.769 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1nc2ccccc2s1 ZINC000026968655 557253167 /nfs/dbraw/zinc/25/31/67/557253167.db2.gz RCXBLVFJTYIQEX-UHFFFAOYSA-N 0 0 433.480 6.024 50 0 IKAARN CC1(C)[C@H](C(=O)N[C@@H](Nc2ccc(F)cc2)C(=O)c2ccccc2)[C@H]1C=C(Cl)Cl ZINC000027015813 557254003 /nfs/dbraw/zinc/25/40/03/557254003.db2.gz IFWQEPZBUQMECD-IMFGXOCKSA-N 0 0 435.326 5.154 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000101095449 557254389 /nfs/dbraw/zinc/25/43/89/557254389.db2.gz WZIMBTFWLNDYII-UHFFFAOYSA-N 0 0 441.915 5.844 50 0 IKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 ZINC000101100743 557255329 /nfs/dbraw/zinc/25/53/29/557255329.db2.gz PCWCLNAJFGJURE-JOCHJYFZSA-N 0 0 439.353 6.262 50 0 IKAARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 ZINC000101119523 557256823 /nfs/dbraw/zinc/25/68/23/557256823.db2.gz FUYDJJRFPJQRSP-VWLOTQADSA-N 0 0 445.522 5.859 50 0 IKAARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccco4)c(=N)c32)cc1 ZINC000101117201 557256838 /nfs/dbraw/zinc/25/68/38/557256838.db2.gz UBWIISPDOZQKPF-HSZRJFAPSA-N 0 0 435.483 5.452 50 0 IKAARN Cn1c(-c2ccc(Br)cc2)cn2cc(-c3cccc(Br)c3)nc21 ZINC000027117644 557257245 /nfs/dbraw/zinc/25/72/45/557257245.db2.gz DXCKIMWKNLYFMQ-UHFFFAOYSA-N 0 0 431.131 5.532 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3c(C)n(C)n(-c4ccccc4)c3=O)n2C(C)(C)C)cc1 ZINC000100341624 557258033 /nfs/dbraw/zinc/25/80/33/557258033.db2.gz IYYTWKGSJSXBJZ-LCUIJRPUSA-N 0 0 448.592 5.010 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000100426177 557260741 /nfs/dbraw/zinc/26/07/41/557260741.db2.gz JLKBRYAXGXRAFH-WXTAPIANSA-N 0 0 430.935 6.978 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000100426174 557260795 /nfs/dbraw/zinc/26/07/95/557260795.db2.gz JLKBRYAXGXRAFH-HFJWLAOPSA-N 0 0 430.935 6.978 50 0 IKAARN N=c1c2c(ncn1CCCn1ccnc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000101122420 557261037 /nfs/dbraw/zinc/26/10/37/557261037.db2.gz BJELJSWSHVKLFU-QHCPKHFHSA-N 0 0 433.515 5.088 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1 ZINC000100429428 557261077 /nfs/dbraw/zinc/26/10/77/557261077.db2.gz UWZCCBFSICZUSI-WXTAPIANSA-N 0 0 428.488 5.858 50 0 IKAARN Cc1cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Br ZINC000012843271 557262283 /nfs/dbraw/zinc/26/22/83/557262283.db2.gz HIRSQDKWFSPNGC-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000012843145 557262303 /nfs/dbraw/zinc/26/23/03/557262303.db2.gz NVZKNLOPQJSYMX-UHFFFAOYSA-N 0 0 447.554 5.187 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(F)cc3)c2c1 ZINC000101148035 557262333 /nfs/dbraw/zinc/26/23/33/557262333.db2.gz PBAXCKYYTUNEMX-UHFFFAOYSA-N 0 0 442.899 5.612 50 0 IKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000012843178 557262480 /nfs/dbraw/zinc/26/24/80/557262480.db2.gz MUQYGQMIRABCFZ-UHFFFAOYSA-N 0 0 425.710 5.102 50 0 IKAARN CC(=O)C(Sc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn21)=C(C)O ZINC000101180507 557262662 /nfs/dbraw/zinc/26/26/62/557262662.db2.gz YIRYDOIBEQAIGK-UHFFFAOYSA-N 0 0 443.572 5.243 50 0 IKAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3N2)c1 ZINC000101229333 557263814 /nfs/dbraw/zinc/26/38/14/557263814.db2.gz LQVVRETYJPAIQE-UAOJZALGSA-N 0 0 444.457 5.043 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCCC2)cc1 ZINC000027546895 557264707 /nfs/dbraw/zinc/26/47/07/557264707.db2.gz UMADYBDOGYTTOA-NDEPHWFRSA-N 0 0 449.554 5.311 50 0 IKAARN Cc1ccc(C(=O)Nc2sc(-c3cc4ccccc4oc3=O)nc2-c2cccs2)cc1 ZINC000027562116 557265504 /nfs/dbraw/zinc/26/55/04/557265504.db2.gz NMKAQWAGZADJGT-UHFFFAOYSA-N 0 0 444.537 6.206 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3Cl)CC2=O)cc1 ZINC000101273251 557266148 /nfs/dbraw/zinc/26/61/48/557266148.db2.gz BPHBAKHYICWVHK-UHFFFAOYSA-N 0 0 445.950 5.960 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCC(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000100619324 557266266 /nfs/dbraw/zinc/26/62/66/557266266.db2.gz APSPTYBBSCBBKP-LEDPEUEOSA-N 0 0 446.547 5.151 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1 ZINC000027580987 557266421 /nfs/dbraw/zinc/26/64/21/557266421.db2.gz UHISRIVCZUYIQV-UHFFFAOYSA-N 0 0 437.543 5.197 50 0 IKAARN Cc1nn2c(nc(-c3ccccc3)cc2N2CCN(c3ccccc3)CC2)c1-c1ccccc1 ZINC000027585052 557266806 /nfs/dbraw/zinc/26/68/06/557266806.db2.gz WZBRJKACPTUKGS-UHFFFAOYSA-N 0 0 445.570 5.698 50 0 IKAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000027585445 557266846 /nfs/dbraw/zinc/26/68/46/557266846.db2.gz XRCMLCVAHXBRPZ-UHFFFAOYSA-N 0 0 443.334 6.081 50 0 IKAARN O=C(/C=C/c1ccc(Br)s1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000072272007 557267501 /nfs/dbraw/zinc/26/75/01/557267501.db2.gz JCORDVFQNQCVPV-VQHVLOKHSA-N 0 0 448.411 5.181 50 0 IKAARN Cc1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)c(-n2nc3ccccc3n2)c1 ZINC000000822846 557268549 /nfs/dbraw/zinc/26/85/49/557268549.db2.gz NSNUBKZLOSOJCV-UHFFFAOYSA-N 0 0 433.467 5.572 50 0 IKAARN CC[C@@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl ZINC000000823211 557268732 /nfs/dbraw/zinc/26/87/32/557268732.db2.gz VOOLDIGNBZELOQ-HNAYVOBHSA-N 0 0 439.364 5.595 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 ZINC000027662207 557268887 /nfs/dbraw/zinc/26/88/87/557268887.db2.gz ZGWAIWRFNFDENL-UHFFFAOYSA-N 0 0 426.270 5.423 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@]32CCCC(=O)C2)cc1 ZINC000100670834 557269134 /nfs/dbraw/zinc/26/91/34/557269134.db2.gz KUPWZHCHUWAHLW-RBBKRZOGSA-N 0 0 425.326 5.623 50 0 IKAARN CCOc1ccccc1NC(=O)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000027664158 557270212 /nfs/dbraw/zinc/27/02/12/557270212.db2.gz KGYGBCAMHPBQOW-UHFFFAOYSA-N 0 0 434.348 5.727 50 0 IKAARN COc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(C)c1 ZINC000027664488 557270562 /nfs/dbraw/zinc/27/05/62/557270562.db2.gz SHRHTDYHKVIQGK-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC000027664492 557270601 /nfs/dbraw/zinc/27/06/01/557270601.db2.gz YIWQAGWCOCDOJW-HNNXBMFYSA-N 0 0 448.450 5.239 50 0 IKAARN Cc1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000000827600 557271130 /nfs/dbraw/zinc/27/11/30/557271130.db2.gz INDDLMPOQOLSTM-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000027692409 557271722 /nfs/dbraw/zinc/27/17/22/557271722.db2.gz OGGAQQHOIPGHLV-OAHLLOKOSA-N 0 0 432.501 5.340 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3C2=O)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000828647 557271875 /nfs/dbraw/zinc/27/18/75/557271875.db2.gz WGQGNFMKGFKKNN-UHFFFAOYSA-N 0 0 441.270 5.055 50 0 IKAARN CCc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1 ZINC000027740378 557271835 /nfs/dbraw/zinc/27/18/35/557271835.db2.gz GWYIKJRKYICGRS-UHFFFAOYSA-N 0 0 425.326 5.019 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000022889310 557271972 /nfs/dbraw/zinc/27/19/72/557271972.db2.gz IHMRXAYGPWBDGD-QFIPXVFZSA-N 0 0 442.584 6.031 50 0 IKAARN COc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(Br)cc2)c1 ZINC000027742475 557272339 /nfs/dbraw/zinc/27/23/39/557272339.db2.gz ARVKENLIDHERSV-OAQYLSRUSA-N 0 0 449.348 5.501 50 0 IKAARN COc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027744473 557272511 /nfs/dbraw/zinc/27/25/11/557272511.db2.gz YZFXJCJZCLAUSI-NRFANRHFSA-N 0 0 434.923 5.157 50 0 IKAARN CCCOc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027744584 557272515 /nfs/dbraw/zinc/27/25/15/557272515.db2.gz HODDSRLPDIBHOA-QHCPKHFHSA-N 0 0 428.532 5.527 50 0 IKAARN COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027744634 557272531 /nfs/dbraw/zinc/27/25/31/557272531.db2.gz XTNYSYSWYGZZLZ-OAQYLSRUSA-N 0 0 449.348 5.501 50 0 IKAARN CCCOc1ccccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027744594 557272634 /nfs/dbraw/zinc/27/26/34/557272634.db2.gz HODDSRLPDIBHOA-HSZRJFAPSA-N 0 0 428.532 5.527 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746343 557272803 /nfs/dbraw/zinc/27/28/03/557272803.db2.gz IGMWCLIBZSDCJI-DEOSSOPVSA-N 0 0 428.532 5.120 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746325 557272867 /nfs/dbraw/zinc/27/28/67/557272867.db2.gz BMCZEVUAKQXAIU-QFIPXVFZSA-N 0 0 448.950 5.465 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2C)cc1 ZINC000027752854 557273138 /nfs/dbraw/zinc/27/31/38/557273138.db2.gz BAGOVEVCBQCZHJ-UHFFFAOYSA-N 0 0 442.544 5.176 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccc(OCC)cc3)no2)cc1 ZINC000027749706 557273188 /nfs/dbraw/zinc/27/31/88/557273188.db2.gz SHMPJAQUCCMFCY-UHFFFAOYSA-N 0 0 442.515 5.986 50 0 IKAARN CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 ZINC000027776711 557273860 /nfs/dbraw/zinc/27/38/60/557273860.db2.gz AFTPSOOJOPTDHS-ZDUSSCGKSA-N 0 0 426.929 5.399 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OC(C)C ZINC000013041006 557274105 /nfs/dbraw/zinc/27/41/05/557274105.db2.gz VBPNOOOHUTWFMD-VAWYXSNFSA-N 0 0 429.988 7.035 50 0 IKAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)Cc1cccs1 ZINC000027794833 557274822 /nfs/dbraw/zinc/27/48/22/557274822.db2.gz COZGOQPYJKLIQH-UHFFFAOYSA-N 0 0 444.306 5.053 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)N(Cc1cccs1)c1ccccn1 ZINC000027794569 557274825 /nfs/dbraw/zinc/27/48/25/557274825.db2.gz FCLIGDSPPSZMNR-UHFFFAOYSA-N 0 0 427.323 5.807 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)c2c[nH]c3ccccc32)cc1 ZINC000027794284 557274835 /nfs/dbraw/zinc/27/48/35/557274835.db2.gz XNVNELFWZPCCTG-QHCPKHFHSA-N 0 0 438.527 6.101 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027794276 557274854 /nfs/dbraw/zinc/27/48/54/557274854.db2.gz IQXJUASVLCNHFW-FQEVSTJZSA-N 0 0 428.919 6.438 50 0 IKAARN COc1ccccc1[C@@H]1c2c(ccc3ccccc32)Oc2ncn(Cc3ccco3)c(=N)c21 ZINC000101357882 557275625 /nfs/dbraw/zinc/27/56/25/557275625.db2.gz JMQHJTVSEVSZHX-XMMPIXPASA-N 0 0 435.483 5.452 50 0 IKAARN COc1cc(OC)c([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc4ccccc4n32)cc1OC ZINC000100850347 557277107 /nfs/dbraw/zinc/27/71/07/557277107.db2.gz BCAVEXKUNZWIHN-OAQYLSRUSA-N 0 0 447.922 5.772 50 0 IKAARN COc1cc(OC)c([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc4ccccc4n32)cc1OC ZINC000100850346 557277180 /nfs/dbraw/zinc/27/71/80/557277180.db2.gz BCAVEXKUNZWIHN-NRFANRHFSA-N 0 0 447.922 5.772 50 0 IKAARN COc1cc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2)cc(OC)c1OC ZINC000101364016 557277234 /nfs/dbraw/zinc/27/72/34/557277234.db2.gz ZMWOCRKYSFNIBT-UHFFFAOYSA-N 0 0 447.512 5.207 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccccc2C)cc1OC ZINC000013060884 557278923 /nfs/dbraw/zinc/27/89/23/557278923.db2.gz FLYLWMLFOHFJCN-JQIJEIRASA-N 0 0 439.515 5.517 50 0 IKAARN Cc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 ZINC000101350383 557280201 /nfs/dbraw/zinc/28/02/01/557280201.db2.gz DHQBDNZSHZEZSL-XMMPIXPASA-N 0 0 447.542 5.397 50 0 IKAARN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100987218 557280827 /nfs/dbraw/zinc/28/08/27/557280827.db2.gz KDDHFYXQTJQMIO-PSWAGMNNSA-N 0 0 437.495 5.089 50 0 IKAARN O=C(OC(c1ccccc1)c1ccccc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000100987846 557280844 /nfs/dbraw/zinc/28/08/44/557280844.db2.gz NEMLZQOZDWOTLD-PSWAGMNNSA-N 0 0 437.495 5.089 50 0 IKAARN COc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3)c2c1 ZINC000101379500 557281690 /nfs/dbraw/zinc/28/16/90/557281690.db2.gz GCLGATWSCADNKQ-BYCLXTJYSA-N 0 0 425.557 6.182 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccc(Br)cc1 ZINC000101095166 557282924 /nfs/dbraw/zinc/28/29/24/557282924.db2.gz XEEPXEAMRUIUMG-UHFFFAOYSA-N 0 0 449.304 5.420 50 0 IKAARN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000023323102 557283385 /nfs/dbraw/zinc/28/33/85/557283385.db2.gz BIBQCEVKIRLRIR-AHWVRZQESA-N 0 0 444.575 6.257 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000101424410 557283591 /nfs/dbraw/zinc/28/35/91/557283591.db2.gz XMNREMSKZUHBSJ-NDEPHWFRSA-N 0 0 433.532 7.729 50 0 IKAARN COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1OC(C)=O ZINC000101429299 557283603 /nfs/dbraw/zinc/28/36/03/557283603.db2.gz JBSXCIIACCSYSH-VWLOTQADSA-N 0 0 429.497 5.871 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000101424408 557283631 /nfs/dbraw/zinc/28/36/31/557283631.db2.gz XMNREMSKZUHBSJ-MUUNZHRXSA-N 0 0 433.532 7.729 50 0 IKAARN CCCOc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC ZINC000101429292 557283658 /nfs/dbraw/zinc/28/36/58/557283658.db2.gz MNABTTRXCQHGTB-AREMUKBSSA-N 0 0 429.541 6.735 50 0 IKAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023323156 557284687 /nfs/dbraw/zinc/28/46/87/557284687.db2.gz YSUBPGDJDZCFON-CJFMBICVSA-N 0 0 434.967 5.041 50 0 IKAARN C[C@H](NC(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)c1ccccc1 ZINC000101191546 557284738 /nfs/dbraw/zinc/28/47/38/557284738.db2.gz BJGAFGXADZUOAB-RRQGHBQHSA-N 0 0 448.876 5.688 50 0 IKAARN C/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000101459177 557285209 /nfs/dbraw/zinc/28/52/09/557285209.db2.gz BAQVUCVADXCJET-WFBCFIKKSA-N 0 0 434.543 6.123 50 0 IKAARN Cc1cc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(C)n1CCc1ccc(F)cc1 ZINC000023053433 557285387 /nfs/dbraw/zinc/28/53/87/557285387.db2.gz TXODRTPWGUROIW-UHFFFAOYSA-N 0 0 433.479 5.163 50 0 IKAARN CC1=C(CC(=O)Nc2ccc(O)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101477184 557287744 /nfs/dbraw/zinc/28/77/44/557287744.db2.gz INXJGLQKAJFXIC-ABWPRXLSSA-N 0 0 447.531 5.625 50 0 IKAARN COc1ccccc1Nc1c2cc(NC(=O)c3ccc(F)cc3)ccc2[nH+]c2c1CCCC2 ZINC000101482953 557287783 /nfs/dbraw/zinc/28/77/83/557287783.db2.gz LDKGFDRMVSYRKP-UHFFFAOYSA-N 0 0 441.506 6.257 50 0 IKAARN CC1=C(CC(=O)Nc2cccc(O)c2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101480028 557287809 /nfs/dbraw/zinc/28/78/09/557287809.db2.gz IIVJQLHMWVTLKK-IACAVPECSA-N 0 0 447.531 5.625 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCO5)cc1C ZINC000101488894 557287981 /nfs/dbraw/zinc/28/79/81/557287981.db2.gz BEIVSWLSNOTJGV-UHFFFAOYSA-N 0 0 425.463 5.736 50 0 IKAARN CC1=C(CC(=O)Nc2ccccn2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101489482 557288247 /nfs/dbraw/zinc/28/82/47/557288247.db2.gz OHQDKMCUFBHAKN-RLFMNYESSA-N 0 0 432.520 5.315 50 0 IKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000101639442 557292193 /nfs/dbraw/zinc/29/21/93/557292193.db2.gz LUKQXVJWLACPJD-SANMLTNESA-N 0 0 444.619 7.433 50 0 IKAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3ccc(OCc4ccccc4Cl)cc3)C2)cc1 ZINC000101402679 557292494 /nfs/dbraw/zinc/29/24/94/557292494.db2.gz RUAXQGASXFYRHZ-QHCPKHFHSA-N 0 0 449.341 6.220 50 0 IKAARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(=O)NCCCCc3ccccc3)cc2)n1 ZINC000023323616 557294217 /nfs/dbraw/zinc/29/42/17/557294217.db2.gz QFHLXGHBIOYEIQ-UHFFFAOYSA-N 0 0 447.579 5.099 50 0 IKAARN Cc1cccc(N(Cc2ccccc2)C(=O)COC(=O)c2cccnc2SC(F)F)c1 ZINC000023080024 557294957 /nfs/dbraw/zinc/29/49/57/557294957.db2.gz CFLFFWGLGXHGHD-UHFFFAOYSA-N 0 0 442.487 5.095 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000023323898 557295681 /nfs/dbraw/zinc/29/56/81/557295681.db2.gz AXMFMFBAPVXESR-UHFFFAOYSA-N 0 0 433.617 6.004 50 0 IKAARN CCCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000014068154 557296790 /nfs/dbraw/zinc/29/67/90/557296790.db2.gz XRCQIWGLCJWKHF-LJQANCHMSA-N 0 0 426.973 5.121 50 0 IKAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000014068982 557297279 /nfs/dbraw/zinc/29/72/79/557297279.db2.gz FGOXEWXMPIJAKJ-SFHVURJKSA-N 0 0 440.572 5.931 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000101248493 557298442 /nfs/dbraw/zinc/29/84/42/557298442.db2.gz UNPWUJZCWFCHDA-ZRBLBEILSA-N 0 0 432.907 5.008 50 0 IKAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014083718 557299617 /nfs/dbraw/zinc/29/96/17/557299617.db2.gz OYHAIDZWYVKFGK-UHFFFAOYSA-N 0 0 438.531 5.426 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)ccc2OC)cc1 ZINC000014085118 557299932 /nfs/dbraw/zinc/29/99/32/557299932.db2.gz LNNNZWCLJITWNI-UHFFFAOYSA-N 0 0 425.868 5.048 50 0 IKAARN O=C(NCCOc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000014086063 557300250 /nfs/dbraw/zinc/30/02/50/557300250.db2.gz XUEYPGQDCLJGPX-UHFFFAOYSA-N 0 0 444.240 5.007 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@]3(C)CC(C)=O)cc1 ZINC000102278072 557300936 /nfs/dbraw/zinc/30/09/36/557300936.db2.gz YLSMCVTZUOBINC-LMULYTEMSA-N 0 0 429.314 5.179 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000023324720 557301515 /nfs/dbraw/zinc/30/15/15/557301515.db2.gz FVPCURCONMRMID-SLSDLSHTSA-N 0 0 429.491 5.124 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(F)cc4)nn32)cc1 ZINC000101835540 557302013 /nfs/dbraw/zinc/30/20/13/557302013.db2.gz RXNDGFNSBRXCOT-QFIPXVFZSA-N 0 0 425.467 5.034 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000014093130 557302126 /nfs/dbraw/zinc/30/21/26/557302126.db2.gz GIQQZVUAVDRWDJ-IERDGZPVSA-N 0 0 436.581 5.595 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)c4ccccc4)nn32)cc1 ZINC000101835716 557302212 /nfs/dbraw/zinc/30/22/12/557302212.db2.gz ILUDSHMFHZDWBV-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)Nc1ccccc1Cc1ccccc1 ZINC000014094222 557302326 /nfs/dbraw/zinc/30/23/26/557302326.db2.gz XSMPPKLFLSZXQA-UHFFFAOYSA-N 0 0 435.614 6.164 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(C)c4)nn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101835929 557302495 /nfs/dbraw/zinc/30/24/95/557302495.db2.gz IKVFTVUFNNXHJD-DEOSSOPVSA-N 0 0 435.531 5.512 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(C)c4)nn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101835937 557302506 /nfs/dbraw/zinc/30/25/06/557302506.db2.gz IKVFTVUFNNXHJD-XMMPIXPASA-N 0 0 435.531 5.512 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1ccc(F)cc1 ZINC000101836589 557302914 /nfs/dbraw/zinc/30/29/14/557302914.db2.gz SUAHQLJRMJCAOK-OAQYLSRUSA-N 0 0 445.885 5.379 50 0 IKAARN CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101836723 557303253 /nfs/dbraw/zinc/30/32/53/557303253.db2.gz JKQQHQXLELEMDA-SFHVURJKSA-N 0 0 428.323 5.235 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1ccccc1F ZINC000101836640 557303282 /nfs/dbraw/zinc/30/32/82/557303282.db2.gz QHGKKIRLWZKVKG-NRFANRHFSA-N 0 0 445.885 5.379 50 0 IKAARN CCCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023325346 557303520 /nfs/dbraw/zinc/30/35/20/557303520.db2.gz VLPUOVJGNQKZAF-UHFFFAOYSA-N 0 0 433.617 5.950 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)c2)cc1 ZINC000102643384 557304535 /nfs/dbraw/zinc/30/45/35/557304535.db2.gz KARCJUPLQAHYHT-NQHRYMMQSA-N 0 0 438.527 5.321 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)c(C)c3)CC2=O)c(Cl)c1 ZINC000101880464 557304560 /nfs/dbraw/zinc/30/45/60/557304560.db2.gz ATOCTRMOYVYKGN-UHFFFAOYSA-N 0 0 446.938 5.156 50 0 IKAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)C2)cc1 ZINC000101880708 557304948 /nfs/dbraw/zinc/30/49/48/557304948.db2.gz AMSUOPZHSFFAAY-UHFFFAOYSA-N 0 0 446.938 5.102 50 0 IKAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)C2)cc1 ZINC000101880669 557304959 /nfs/dbraw/zinc/30/49/59/557304959.db2.gz AXFAEZLNHVOFEG-UHFFFAOYSA-N 0 0 446.938 5.102 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)cc1 ZINC000101881022 557305163 /nfs/dbraw/zinc/30/51/63/557305163.db2.gz NEEXWTNULAFQTR-UHFFFAOYSA-N 0 0 446.938 5.355 50 0 IKAARN CC[C@@H](c1nnc(SCC(=O)c2cccc3ccccc32)n1Cc1ccccc1)N(C)C ZINC000014123337 557306086 /nfs/dbraw/zinc/30/60/86/557306086.db2.gz GJHGQKFJLYAOBR-QHCPKHFHSA-N 0 0 444.604 5.467 50 0 IKAARN CC[C@H](c1nnc(SCC(=O)c2cccc3ccccc32)n1Cc1ccccc1)N(C)C ZINC000014123334 557306123 /nfs/dbraw/zinc/30/61/23/557306123.db2.gz GJHGQKFJLYAOBR-HSZRJFAPSA-N 0 0 444.604 5.467 50 0 IKAARN O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014122015 557306164 /nfs/dbraw/zinc/30/61/64/557306164.db2.gz XINHHLPODYOEIT-OAHLLOKOSA-N 0 0 439.968 5.096 50 0 IKAARN COc1ccc(-c2cc(NC(=O)[C@@H](NC(=O)Nc3ccccc3)C(C)C)ccc2OC)cc1 ZINC000014125951 557306520 /nfs/dbraw/zinc/30/65/20/557306520.db2.gz RCLFAUQZDHAVOH-DEOSSOPVSA-N 0 0 447.535 5.156 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000101968802 557306619 /nfs/dbraw/zinc/30/66/19/557306619.db2.gz FSSOXNJUWLJOGO-RUZDIDTESA-N 0 0 436.515 5.508 50 0 aggregator IKAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014118703 557307457 /nfs/dbraw/zinc/30/74/57/557307457.db2.gz NUABPMMIXJNXIZ-INIZCTEOSA-N 0 0 432.570 5.609 50 0 IKAARN O=C([C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1)N1CCCC1 ZINC000014128974 557307714 /nfs/dbraw/zinc/30/77/14/557307714.db2.gz DAVOYRMRLLSDFB-XMMPIXPASA-N 0 0 443.547 5.892 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@H]2C1=O ZINC000101946057 557308088 /nfs/dbraw/zinc/30/80/88/557308088.db2.gz YTZUPJYGJONYOT-MRXNPFEDSA-N 0 0 439.943 5.132 50 0 IKAARN C[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014129687 557308213 /nfs/dbraw/zinc/30/82/13/557308213.db2.gz VIDCLXZWMHVBLU-SIGOSDGXSA-N 0 0 437.561 5.331 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101947692 557308293 /nfs/dbraw/zinc/30/82/93/557308293.db2.gz QQJUMEFMIRUHPF-UHFFFAOYSA-N 0 0 431.561 5.478 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)CC(c1cccs1)=N2 ZINC000101947676 557308354 /nfs/dbraw/zinc/30/83/54/557308354.db2.gz YQOSIBBTRFXOPI-UHFFFAOYSA-N 0 0 439.487 5.139 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c(C)c1 ZINC000101947893 557308637 /nfs/dbraw/zinc/30/86/37/557308637.db2.gz WXDGZNBWHUIVOS-UHFFFAOYSA-N 0 0 445.588 5.786 50 0 IKAARN O=C1CC(c2ccc(Br)s2)=Nc2ccccc2N1Cc1cccc(F)c1 ZINC000101948157 557308668 /nfs/dbraw/zinc/30/86/68/557308668.db2.gz UMUZBZARUQHNFH-UHFFFAOYSA-N 0 0 429.314 5.707 50 0 IKAARN CCC(CC)C(=O)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000023325697 557308703 /nfs/dbraw/zinc/30/87/03/557308703.db2.gz VLKXLGOLTHCOFM-UHFFFAOYSA-N 0 0 430.552 5.021 50 0 IKAARN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1F ZINC000013304469 557308880 /nfs/dbraw/zinc/30/88/80/557308880.db2.gz NJYZHENGFYCVLU-VBGLAJCLSA-N 0 0 432.262 7.991 50 0 IKAARN CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCCOc1ccccc1 ZINC000014128512 557308887 /nfs/dbraw/zinc/30/88/87/557308887.db2.gz YPVFMDJXDWJIPE-UHFFFAOYSA-N 0 0 446.330 6.102 50 0 IKAARN CCCCCn1cc(C2CCN(C(=O)[C@H](OC(C)=O)c3ccccc3)CC2)c2ccccc21 ZINC000023326246 557311090 /nfs/dbraw/zinc/31/10/90/557311090.db2.gz FOQOYEPEILGGHL-HHHXNRCGSA-N 0 0 446.591 5.842 50 0 IKAARN O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023326333 557311600 /nfs/dbraw/zinc/31/16/00/557311600.db2.gz AORVIHZMLGSJKC-KKUQBAQOSA-N 0 0 445.994 5.313 50 0 IKAARN COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(Cl)c2Cl)c2ccccc2)c1 ZINC000014161384 557311777 /nfs/dbraw/zinc/31/17/77/557311777.db2.gz POUGFXNJKRNWLJ-HXUWFJFHSA-N 0 0 430.287 5.539 50 0 IKAARN COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1OC ZINC000014163859 557312093 /nfs/dbraw/zinc/31/20/93/557312093.db2.gz YGSKFWIAJWJMKJ-KRWDZBQOSA-N 0 0 447.922 5.288 50 0 IKAARN Cc1cc(C)c(NC(=O)CNC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000014164576 557312099 /nfs/dbraw/zinc/31/20/99/557312099.db2.gz MVUMEYKBJONMOL-UHFFFAOYSA-N 0 0 444.906 5.131 50 0 IKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 ZINC000071863759 557312459 /nfs/dbraw/zinc/31/24/59/557312459.db2.gz XFDRXBCVLODNAF-OAQYLSRUSA-N 0 0 441.955 6.259 50 0 IKAARN CCN(CC)C1=Nc2ccccc2Oc2ccc(NC(=O)Nc3ccc(OC)cc3)cc21 ZINC000103053165 557312475 /nfs/dbraw/zinc/31/24/75/557312475.db2.gz PGRQGQUJJZOYPJ-UHFFFAOYSA-N 0 0 430.508 5.865 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccccc2)c1 ZINC000220969291 557312717 /nfs/dbraw/zinc/31/27/17/557312717.db2.gz ODBILDFODUXGKA-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000220977486 557312729 /nfs/dbraw/zinc/31/27/29/557312729.db2.gz CLBQGOXQMRKPSE-JLPGSUDCSA-N 0 0 439.898 6.417 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1COc1ccccc1Cl ZINC000220977584 557312813 /nfs/dbraw/zinc/31/28/13/557312813.db2.gz NZGWOZIOTYDGLJ-KGENOOAVSA-N 0 0 433.891 5.662 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCSCc1ccc(Cl)cc1 ZINC000032340550 557313052 /nfs/dbraw/zinc/31/30/52/557313052.db2.gz KIQWYDDCMKBGHD-UHFFFAOYSA-N 0 0 434.392 5.210 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023327405 557313496 /nfs/dbraw/zinc/31/34/96/557313496.db2.gz LQMXIFKAPDPEAR-HSZRJFAPSA-N 0 0 440.374 5.933 50 0 IKAARN CC[C@H](C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000023327730 557313895 /nfs/dbraw/zinc/31/38/95/557313895.db2.gz GEPUTQZHGZGHBR-IZZNHLLZSA-N 0 0 432.995 5.767 50 0 IKAARN CC[C@@H](C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000023327719 557314013 /nfs/dbraw/zinc/31/40/13/557314013.db2.gz GEPUTQZHGZGHBR-FTJBHMTQSA-N 0 0 432.995 5.767 50 0 IKAARN CCc1nnc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)s1 ZINC000014182770 557314173 /nfs/dbraw/zinc/31/41/73/557314173.db2.gz ILRKACWDUDOEQG-UHFFFAOYSA-N 0 0 436.540 6.235 50 0 IKAARN COc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)ccc1OCc1ccccc1 ZINC000014185399 557314729 /nfs/dbraw/zinc/31/47/29/557314729.db2.gz ATFAVHIDBQDBJI-UHFFFAOYSA-N 0 0 442.515 5.435 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201446 557314941 /nfs/dbraw/zinc/31/49/41/557314941.db2.gz BIMDVDJQZYRRQE-UHFFFAOYSA-N 0 0 433.895 6.011 50 0 IKAARN Cc1cc(C(=O)/N=c2/oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000102221363 557315535 /nfs/dbraw/zinc/31/55/35/557315535.db2.gz KXYXDQYSSYRGLN-SOYKGTTHSA-N 0 0 434.879 5.598 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(C(C)C)c1)C(=O)CC(c1cccs1)=N2 ZINC000102301407 557316037 /nfs/dbraw/zinc/31/60/37/557316037.db2.gz HGRWMJHKJMQLFX-UHFFFAOYSA-N 0 0 445.588 5.985 50 0 IKAARN Cc1ccc(C(C)C)c(OCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1 ZINC000011667273 557316201 /nfs/dbraw/zinc/31/62/01/557316201.db2.gz XAINTRUAHCNPFA-IBGZPJMESA-N 0 0 431.536 5.631 50 0 IKAARN CC1=CC[C@H]([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)[C@H](C)C1 ZINC000103557445 557316523 /nfs/dbraw/zinc/31/65/23/557316523.db2.gz MNRDRZYDKZQMKN-FHJLPGHOSA-N 0 0 430.577 5.954 50 0 IKAARN COc1cc(/C=C/C(=O)N([C@H](C)c2cccc3ccccc32)C2CC2)cc(OC)c1OC ZINC000032832527 557316830 /nfs/dbraw/zinc/31/68/30/557316830.db2.gz VZFBWSHSDTXTHM-NKAIQICCSA-N 0 0 431.532 5.631 50 0 IKAARN COc1ccccc1/C=C(/C(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 ZINC000032907952 557317441 /nfs/dbraw/zinc/31/74/41/557317441.db2.gz PAPLKTNFSNQQGJ-HAVVHWLPSA-N 0 0 438.483 5.720 50 0 IKAARN Cc1cccc(N(Cc2ccccc2)C(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000014201391 557317598 /nfs/dbraw/zinc/31/75/98/557317598.db2.gz DOKSEHPBUNFWEZ-UHFFFAOYSA-N 0 0 443.591 5.024 50 0 IKAARN Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccccc2Br)cs1 ZINC000014206047 557317987 /nfs/dbraw/zinc/31/79/87/557317987.db2.gz LIZJHGSBLBNQGR-ZHACJKMWSA-N 0 0 429.339 5.445 50 0 IKAARN Cc1cccc(C)c1OCCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000011667338 557318504 /nfs/dbraw/zinc/31/85/04/557318504.db2.gz VWLOXHIOYLZNFG-FQEVSTJZSA-N 0 0 431.536 5.596 50 0 IKAARN Cc1noc(-c2ccccc2NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 ZINC000032936628 557318882 /nfs/dbraw/zinc/31/88/82/557318882.db2.gz VACLOOLEYMOZOP-UHFFFAOYSA-N 0 0 437.455 5.379 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Nc1cc(C)cc(C)c1 ZINC000032958445 557319140 /nfs/dbraw/zinc/31/91/40/557319140.db2.gz IFWCWLJGGTZDHV-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1Cc1cccnc1 ZINC000032984839 557319996 /nfs/dbraw/zinc/31/99/96/557319996.db2.gz MGFCVJLFNHAFNJ-UHFFFAOYSA-N 0 0 440.528 5.096 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC)c2c1 ZINC000032986527 557320278 /nfs/dbraw/zinc/32/02/78/557320278.db2.gz FLBRJNYDWTZYDB-UHFFFAOYSA-N 0 0 442.515 5.960 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc21 ZINC000032986689 557320370 /nfs/dbraw/zinc/32/03/70/557320370.db2.gz BNCNUSODLXTECS-GOSISDBHSA-N 0 0 426.516 5.800 50 0 IKAARN COc1ccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(OC)c2)cc1 ZINC000033008622 557320704 /nfs/dbraw/zinc/32/07/04/557320704.db2.gz KBDPDGDQCKBSJP-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cc(NC(=O)c2cccc(C)c2)ccc1N1CCCC1 ZINC000033009229 557320763 /nfs/dbraw/zinc/32/07/63/557320763.db2.gz BYJRZTVVHNBTRB-UHFFFAOYSA-N 0 0 442.563 6.054 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1 ZINC000033010690 557320946 /nfs/dbraw/zinc/32/09/46/557320946.db2.gz JEZKRBCYTLYINU-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN Cc1ccc(-c2noc(CSc3ccc(-c4ccc(C5CCCCC5)cc4)nn3)n2)cc1 ZINC000033022163 557321259 /nfs/dbraw/zinc/32/12/59/557321259.db2.gz FPDHJORPUNUYAW-UHFFFAOYSA-N 0 0 442.588 6.842 50 0 IKAARN O=C(NC1CCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035438 557322460 /nfs/dbraw/zinc/32/24/60/557322460.db2.gz LOELKEQZDMJCQU-HXUWFJFHSA-N 0 0 439.987 5.814 50 0 IKAARN O=C(NCCc1cccs1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035834 557322496 /nfs/dbraw/zinc/32/24/96/557322496.db2.gz JLLYAXORTHLTMA-OAQYLSRUSA-N 0 0 433.577 5.132 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1c(C)sc3ccccc31)CC(=O)N2 ZINC000033088615 557322529 /nfs/dbraw/zinc/32/25/29/557322529.db2.gz IPFGETVFXXQGOU-INIZCTEOSA-N 0 0 444.585 6.096 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000033068678 557323347 /nfs/dbraw/zinc/32/33/47/557323347.db2.gz GADGNGNKXXVMDV-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(C)cc2)cc1 ZINC000033068710 557323379 /nfs/dbraw/zinc/32/33/79/557323379.db2.gz FLBZLHXBECZABT-UHFFFAOYSA-N 0 0 429.545 5.268 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033122159 557324245 /nfs/dbraw/zinc/32/42/45/557324245.db2.gz QKDTYQGQTPPUBP-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Br)cc1 ZINC000033124186 557324662 /nfs/dbraw/zinc/32/46/62/557324662.db2.gz ZMEXYINUXMVQCZ-UHFFFAOYSA-N 0 0 438.350 6.678 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)cc(OC)c3c2)c(OC)c1 ZINC000033129171 557324939 /nfs/dbraw/zinc/32/49/39/557324939.db2.gz OGZWANFEDVDXDX-UHFFFAOYSA-N 0 0 429.476 5.572 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3ccc(Oc4ccc(OC)cc4)nn3)c2)cc1 ZINC000033130994 557325242 /nfs/dbraw/zinc/32/52/42/557325242.db2.gz AIDPRGGJAMXLCI-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN O=C(Nc1c2cc(F)ccc2[nH]c1-c1ccncc1)Nc1ccc(Br)cc1 ZINC000033130806 557325256 /nfs/dbraw/zinc/32/52/56/557325256.db2.gz DKMYLWRDBVMOQE-UHFFFAOYSA-N 0 0 425.261 5.776 50 0 IKAARN COc1cccc(Oc2ccnc(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)n2)c1 ZINC000033130407 557325285 /nfs/dbraw/zinc/32/52/85/557325285.db2.gz SBMDTKNBRDGGIV-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000033396129 557325581 /nfs/dbraw/zinc/32/55/81/557325581.db2.gz CMFIPQKPUPVRTD-RAXLEYEMSA-N 0 0 425.600 6.510 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](CC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251086 557327297 /nfs/dbraw/zinc/32/72/97/557327297.db2.gz NUQBEXUKWWHWGV-KRWDZBQOSA-N 0 0 447.457 5.021 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](CC)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000033251167 557327368 /nfs/dbraw/zinc/32/73/68/557327368.db2.gz MCKAGIJQGNNOMZ-SFHVURJKSA-N 0 0 447.457 5.021 50 0 IKAARN CCn1cc([C@H](CNC(=O)Nc2ccc(OC)cc2OC)c2cccnc2)c2ccccc21 ZINC000033267814 557328353 /nfs/dbraw/zinc/32/83/53/557328353.db2.gz BYNAHDNZYJBVAI-OAQYLSRUSA-N 0 0 444.535 5.027 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1cc(Cl)ccc1C ZINC000033275313 557328972 /nfs/dbraw/zinc/32/89/72/557328972.db2.gz RHWSVDBRHNDUKF-UHFFFAOYSA-N 0 0 447.926 5.631 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)NCc3cccc(F)c3)cc21 ZINC000033278609 557329223 /nfs/dbraw/zinc/32/92/23/557329223.db2.gz IKKZVQHYJFIBKU-UHFFFAOYSA-N 0 0 433.458 5.900 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1cc(F)ccc1F ZINC000033258563 557329467 /nfs/dbraw/zinc/32/94/67/557329467.db2.gz WRIIQOUTCOUKJV-UHFFFAOYSA-N 0 0 435.434 5.029 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)c(OC)c1 ZINC000033261217 557329709 /nfs/dbraw/zinc/32/97/09/557329709.db2.gz MZSWHDYCNAISMJ-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCc3ccccc3C(F)(F)F)C2)s1 ZINC000033299586 557331078 /nfs/dbraw/zinc/33/10/78/557331078.db2.gz GHQHWMIPOMUFOD-INIZCTEOSA-N 0 0 433.499 5.156 50 0 IKAARN Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCCCC4)cc3)nc2)c1 ZINC000033281378 557331567 /nfs/dbraw/zinc/33/15/67/557331567.db2.gz VBIGHADWDRGJMQ-UHFFFAOYSA-N 0 0 429.520 5.369 50 0 IKAARN O=C(CCc1nc(-c2ccc(N3CCCCC3)cc2)no1)Nc1ccc(F)c(Cl)c1 ZINC000033283634 557331833 /nfs/dbraw/zinc/33/18/33/557331833.db2.gz CGBGKCPXQKUUIW-UHFFFAOYSA-N 0 0 428.895 5.091 50 0 IKAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2Cl)n1 ZINC000033325073 557333154 /nfs/dbraw/zinc/33/31/54/557333154.db2.gz HBXCPMGMJQEDMM-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2oc1C(=O)Nc1ccccc1 ZINC000033310125 557333772 /nfs/dbraw/zinc/33/37/72/557333772.db2.gz FLCFFTSHKZRMNV-UHFFFAOYSA-N 0 0 434.879 5.528 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1 ZINC000014358116 557335782 /nfs/dbraw/zinc/33/57/82/557335782.db2.gz CUHIOSOWUYTHKY-KDIMLMLESA-N 0 0 445.603 6.020 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c1C ZINC000014361176 557336690 /nfs/dbraw/zinc/33/66/90/557336690.db2.gz WHOMQPSLAPLGKT-UHFFFAOYSA-N 0 0 433.533 5.122 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)n2)cc1 ZINC000014376124 557336972 /nfs/dbraw/zinc/33/69/72/557336972.db2.gz HCCALJFJNVNMGP-UHFFFAOYSA-N 0 0 449.146 6.080 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccc1)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000263621509 557337810 /nfs/dbraw/zinc/33/78/10/557337810.db2.gz CFNNBDMQWZZTNH-OHMLGYAKSA-N 0 0 449.616 8.161 50 0 IKAARN CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 ZINC000023328385 557338098 /nfs/dbraw/zinc/33/80/98/557338098.db2.gz MAJSJDYVYCQBDA-UXHICEINSA-N 0 0 447.579 5.314 50 0 IKAARN COc1ccc(Cl)cc1C(=O)c1sc2nc(C(F)(F)F)c3c(c2c1N)CCCC3 ZINC000257173430 557338123 /nfs/dbraw/zinc/33/81/23/557338123.db2.gz MWCDDHBPJOUODT-UHFFFAOYSA-N 0 0 440.874 5.669 50 0 IKAARN COc1ccc(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(Br)cc2)cc1 ZINC000023329315 557339114 /nfs/dbraw/zinc/33/91/14/557339114.db2.gz OHZZPMUGHNPBPL-UHFFFAOYSA-N 0 0 442.357 5.122 50 0 IKAARN N=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)S1 ZINC000033413578 557339314 /nfs/dbraw/zinc/33/93/14/557339314.db2.gz OWFHWVNHWFSGCW-YBFXNURJSA-N 0 0 439.334 5.320 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OC[C@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000263640004 557340296 /nfs/dbraw/zinc/34/02/96/557340296.db2.gz SLAAFEGCNHIOIT-OAHLLOKOSA-N 0 0 448.272 6.015 50 0 IKAARN CSc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)c1 ZINC000102529567 557340407 /nfs/dbraw/zinc/34/04/07/557340407.db2.gz HVPOVSXBQMWYRP-UHFFFAOYSA-N 0 0 429.545 5.213 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2)cc1 ZINC000102529573 557340461 /nfs/dbraw/zinc/34/04/61/557340461.db2.gz ITGWDKBTWAUQPX-UHFFFAOYSA-N 0 0 435.886 5.284 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)cc1Cl ZINC000102529855 557340974 /nfs/dbraw/zinc/34/09/74/557340974.db2.gz KPVIOUJELHFXBM-UHFFFAOYSA-N 0 0 435.886 5.284 50 0 IKAARN CCOc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)c(C)c2)CC1=O ZINC000102530063 557341557 /nfs/dbraw/zinc/34/15/57/557341557.db2.gz UOVHUFYNRJXWNZ-UHFFFAOYSA-N 0 0 441.531 5.198 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)C2)cc1C ZINC000102530091 557341565 /nfs/dbraw/zinc/34/15/65/557341565.db2.gz DOXUXNAKRYQUHE-UHFFFAOYSA-N 0 0 445.950 5.761 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2)cc1C ZINC000102530117 557341614 /nfs/dbraw/zinc/34/16/14/557341614.db2.gz YGMMFXLISLTWFT-UHFFFAOYSA-N 0 0 449.913 5.592 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)C2)cc1 ZINC000102530413 557342581 /nfs/dbraw/zinc/34/25/81/557342581.db2.gz KXVBPIAKYZVQGE-UHFFFAOYSA-N 0 0 447.922 5.153 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(CC)c3)C(=O)C2)cc1 ZINC000102530706 557342783 /nfs/dbraw/zinc/34/27/83/557342783.db2.gz ZWQJTXRSEZOHDG-UHFFFAOYSA-N 0 0 425.532 5.308 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1ccc(F)c(F)c1 ZINC000102530586 557342886 /nfs/dbraw/zinc/34/28/86/557342886.db2.gz VZYVWHHTWAJXQR-UHFFFAOYSA-N 0 0 439.849 5.114 50 0 IKAARN CCCCCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)cc1 ZINC000023330749 557343017 /nfs/dbraw/zinc/34/30/17/557343017.db2.gz ALHYJKROYYTYTI-UHFFFAOYSA-N 0 0 440.609 5.478 50 0 IKAARN CCOc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)cc1 ZINC000102531096 557343078 /nfs/dbraw/zinc/34/30/78/557343078.db2.gz CSZMWWNWIJAFOY-UHFFFAOYSA-N 0 0 441.531 5.198 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1 ZINC000102530875 557343107 /nfs/dbraw/zinc/34/31/07/557343107.db2.gz JWQDQPXBVOBHKQ-UHFFFAOYSA-N 0 0 429.495 5.193 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)c(C)c1 ZINC000102531030 557343161 /nfs/dbraw/zinc/34/31/61/557343161.db2.gz WOMKRUGGGXRBKY-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc2c(cc1Br)OCO2 ZINC000102530997 557343172 /nfs/dbraw/zinc/34/31/72/557343172.db2.gz QDBSMXTXGZNFHG-NRFANRHFSA-N 0 0 441.325 6.049 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023331814 557343802 /nfs/dbraw/zinc/34/38/02/557343802.db2.gz ORJQQQUMZBELKD-HSZRJFAPSA-N 0 0 426.894 5.166 50 0 IKAARN O=C(Nc1cc(F)cc(F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023331679 557343817 /nfs/dbraw/zinc/34/38/17/557343817.db2.gz IQQBZRCDAUWMJR-QHCPKHFHSA-N 0 0 441.909 5.557 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)cc2)cc1 ZINC000023331801 557343947 /nfs/dbraw/zinc/34/39/47/557343947.db2.gz LARFZMQYMAEDRH-PXDATVDWSA-N 0 0 443.635 6.827 50 0 IKAARN C/C=C(\C)C(=O)N1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1 ZINC000023332093 557344205 /nfs/dbraw/zinc/34/42/05/557344205.db2.gz BBEKLRAWQDPNPC-JFQJCAQQSA-N 0 0 440.509 6.381 50 0 IKAARN COc1ccccc1C1CCN(C(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)CC1 ZINC000023331397 557344232 /nfs/dbraw/zinc/34/42/32/557344232.db2.gz JDERVFZKDCZLFF-UHFFFAOYSA-N 0 0 444.575 6.418 50 0 IKAARN CC[C@H](C(=O)N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1)c1ccccc1 ZINC000023332180 557344549 /nfs/dbraw/zinc/34/45/49/557344549.db2.gz GLAOVGGVTUYTSV-KRWDZBQOSA-N 0 0 444.362 5.943 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3Cl)cs2)c(C)c1Cc1ccccc1 ZINC000014609262 557344820 /nfs/dbraw/zinc/34/48/20/557344820.db2.gz LEVZFQSNZFPDBH-UHFFFAOYSA-N 0 0 436.968 5.371 50 0 IKAARN CCOc1ccccc1NC(=O)c1sc(-n2nc(C)c(Cc3ccccc3)c2C)nc1C ZINC000014608888 557344831 /nfs/dbraw/zinc/34/48/31/557344831.db2.gz GZFPCAMWWOVSOQ-UHFFFAOYSA-N 0 0 446.576 5.496 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C)c3)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609329 557345170 /nfs/dbraw/zinc/34/51/70/557345170.db2.gz ILNWZHBFQIMBJY-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)c(C)c1Cc1ccccc1 ZINC000014609275 557345202 /nfs/dbraw/zinc/34/52/02/557345202.db2.gz ZXAROPINIFTTHK-UHFFFAOYSA-N 0 0 430.577 5.334 50 0 IKAARN CCOc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(Cc3ccccc3)c2C)n1 ZINC000014609284 557345218 /nfs/dbraw/zinc/34/52/18/557345218.db2.gz JJEDVQJOJLKRKD-UHFFFAOYSA-N 0 0 446.576 5.116 50 0 IKAARN COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000102536413 557345371 /nfs/dbraw/zinc/34/53/71/557345371.db2.gz YCRKYTQXBNKZAK-HSZRJFAPSA-N 0 0 436.552 6.201 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(SC)cc1 ZINC000023333243 557347098 /nfs/dbraw/zinc/34/70/98/557347098.db2.gz MUVXLOCRVKOSDJ-UHFFFAOYSA-N 0 0 444.622 5.654 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1cnc2c(-c3cccc(C(F)(F)F)c3)cnn2c1C ZINC000023333548 557347377 /nfs/dbraw/zinc/34/73/77/557347377.db2.gz SKDKZSRWBVKCAX-MRXNPFEDSA-N 0 0 432.490 5.670 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1 ZINC000023333552 557347378 /nfs/dbraw/zinc/34/73/78/557347378.db2.gz LTUDRNSMKBLMSC-LJQANCHMSA-N 0 0 435.568 5.503 50 0 IKAARN CCCC(=O)Nc1c2ccn(Cc3ccc(Cl)cc3)c2ccc1OC(=O)N(CC)CC ZINC000023333702 557347996 /nfs/dbraw/zinc/34/79/96/557347996.db2.gz UTHQJWDOIGWUIQ-UHFFFAOYSA-N 0 0 441.959 5.922 50 0 IKAARN CC(C)CN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(F)c1F ZINC000033693563 557348088 /nfs/dbraw/zinc/34/80/88/557348088.db2.gz BWVZJJSAIHTGIM-UHFFFAOYSA-N 0 0 436.468 6.492 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2Cl)c1NC(=O)C1CC1 ZINC000023335815 557348338 /nfs/dbraw/zinc/34/83/38/557348338.db2.gz VHFIRQDEGIOOKX-UHFFFAOYSA-N 0 0 439.943 5.532 50 0 IKAARN CCCCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl ZINC000023336102 557348542 /nfs/dbraw/zinc/34/85/42/557348542.db2.gz KYCRQYWRGBMHJY-UHFFFAOYSA-N 0 0 436.770 7.018 50 0 IKAARN CCCCCn1cc(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2ccccc21 ZINC000023336641 557349136 /nfs/dbraw/zinc/34/91/36/557349136.db2.gz PGZMMPBZEZBUHC-UHFFFAOYSA-N 0 0 446.563 5.678 50 0 IKAARN CCCn1cc(C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c2ccccc21 ZINC000023336812 557349205 /nfs/dbraw/zinc/34/92/05/557349205.db2.gz YNQVKTNDYZUSIU-UHFFFAOYSA-N 0 0 438.637 5.853 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023334610 557349364 /nfs/dbraw/zinc/34/93/64/557349364.db2.gz UHDZXGOMTLCGQY-VWLOTQADSA-N 0 0 449.982 5.596 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023334661 557349685 /nfs/dbraw/zinc/34/96/85/557349685.db2.gz STIDEINAAALVAX-OAQYLSRUSA-N 0 0 430.596 5.552 50 0 IKAARN O=C(c1ccccc1F)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023334886 557349690 /nfs/dbraw/zinc/34/96/90/557349690.db2.gz QJMAZFRKIGCOIK-UHFFFAOYSA-N 0 0 443.349 5.680 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1c(C)cc(C)cc1C ZINC000023334880 557349711 /nfs/dbraw/zinc/34/97/11/557349711.db2.gz BDVILVCDMVXAHJ-UHFFFAOYSA-N 0 0 440.609 5.857 50 0 IKAARN CCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Br)cc1 ZINC000023334939 557349730 /nfs/dbraw/zinc/34/97/30/557349730.db2.gz IVNGRCHHVJNFLU-UHFFFAOYSA-N 0 0 442.357 5.583 50 0 IKAARN CCCCC[C@H](C)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023334929 557349793 /nfs/dbraw/zinc/34/97/93/557349793.db2.gz NDHKHTZALXZFLK-KRWDZBQOSA-N 0 0 429.486 6.257 50 0 IKAARN CC(C)CC[C@H](C)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023335113 557349860 /nfs/dbraw/zinc/34/98/60/557349860.db2.gz GZWLZZFXCWORQI-KRWDZBQOSA-N 0 0 429.486 6.113 50 0 IKAARN C[C@@H](NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1)C(C)(C)C ZINC000023335017 557349868 /nfs/dbraw/zinc/34/98/68/557349868.db2.gz SQSGTYAFKUKSQN-OAHLLOKOSA-N 0 0 431.458 5.602 50 0 IKAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NC(C(C)C)C(C)C)c3)n2)o1 ZINC000023335204 557349974 /nfs/dbraw/zinc/34/99/74/557349974.db2.gz CDVHFVWLAZDXDD-UHFFFAOYSA-N 0 0 437.588 5.230 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023335362 557350194 /nfs/dbraw/zinc/35/01/94/557350194.db2.gz GVLPODQZTUSFCB-INIZCTEOSA-N 0 0 430.379 7.001 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023335327 557350280 /nfs/dbraw/zinc/35/02/80/557350280.db2.gz CDYZSCPKLVMTTD-QFBILLFUSA-N 0 0 435.572 5.299 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023426373 557353338 /nfs/dbraw/zinc/35/33/38/557353338.db2.gz PUUDKYLCICPYBM-FXAWDEMLSA-N 0 0 449.599 5.374 50 0 IKAARN CSCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl ZINC000023424652 557353377 /nfs/dbraw/zinc/35/33/77/557353377.db2.gz MKXSHYQKLKCSLR-UHFFFAOYSA-N 0 0 440.783 6.191 50 0 IKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000023426299 557353384 /nfs/dbraw/zinc/35/33/84/557353384.db2.gz MIVIZUWPTNFYRB-JOCHJYFZSA-N 0 0 427.491 6.395 50 0 IKAARN Cc1ccc(-c2onc3c2CCCC3)cc1NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000023426236 557353448 /nfs/dbraw/zinc/35/34/48/557353448.db2.gz JKVJTSQRORIPRT-UHFFFAOYSA-N 0 0 435.738 6.741 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000023426944 557353688 /nfs/dbraw/zinc/35/36/88/557353688.db2.gz BBEOEDXTDODLPH-QUCCMNQESA-N 0 0 447.579 5.501 50 0 IKAARN CCOc1cccc(-c2nc3ccc(Cl)cc3c(=O)n2CCc2ccc(OC)cc2)c1 ZINC000023427086 557353711 /nfs/dbraw/zinc/35/37/11/557353711.db2.gz DSOHQSQKORZOJY-UHFFFAOYSA-N 0 0 434.923 5.367 50 0 IKAARN CCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 ZINC000023427052 557353738 /nfs/dbraw/zinc/35/37/38/557353738.db2.gz XWFLHRZRROKKQS-UHFFFAOYSA-N 0 0 433.552 5.287 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N3CCCC[C@H]3C)cc2)n1 ZINC000023436698 557354223 /nfs/dbraw/zinc/35/42/23/557354223.db2.gz XYFJRAKENLKYTD-LJQANCHMSA-N 0 0 445.563 5.293 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1cc(C)oc1C)CC2 ZINC000023436509 557354255 /nfs/dbraw/zinc/35/42/55/557354255.db2.gz SHNVWVVPQUAFPI-QHCPKHFHSA-N 0 0 425.912 5.355 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)n1 ZINC000023436011 557354264 /nfs/dbraw/zinc/35/42/64/557354264.db2.gz FAYGSGGRIGYNQH-UHFFFAOYSA-N 0 0 445.563 5.429 50 0 IKAARN Cc1ccc(-n2c(CCC(=O)N3CCC[C@@H](C)C3)cc3c2-c2ccccc2OC3)c(F)c1 ZINC000023437048 557354294 /nfs/dbraw/zinc/35/42/94/557354294.db2.gz WFSSAUMXUNICLL-LJQANCHMSA-N 0 0 432.539 5.675 50 0 IKAARN Fc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000102564400 557354516 /nfs/dbraw/zinc/35/45/16/557354516.db2.gz DCXCQAJNLSJJKK-HNNXBMFYSA-N 0 0 429.204 5.799 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1cccc(F)c1)CC2 ZINC000023437422 557354582 /nfs/dbraw/zinc/35/45/82/557354582.db2.gz FPDZXWKDBJQPOZ-QHCPKHFHSA-N 0 0 425.887 5.284 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)/C=C/c1ccccc1)CC2 ZINC000023428728 557354845 /nfs/dbraw/zinc/35/48/45/557354845.db2.gz IRAMJCRAOXWAEE-TYBKAHOSSA-N 0 0 433.935 5.545 50 0 IKAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023429744 557355213 /nfs/dbraw/zinc/35/52/13/557355213.db2.gz MGGGLFKWRDKNIR-OAQYLSRUSA-N 0 0 431.454 6.226 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC3CCCC3)c2)n(-c2cccc(F)c2)n1 ZINC000023429879 557355263 /nfs/dbraw/zinc/35/52/63/557355263.db2.gz ZLHFCRVWTKOEKL-UHFFFAOYSA-N 0 0 435.499 5.374 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C=C(C)C)[C@@H]3c1cccc(C(F)(F)F)c1 ZINC000023430741 557355528 /nfs/dbraw/zinc/35/55/28/557355528.db2.gz IQUITMUIXNSWNX-HSZRJFAPSA-N 0 0 428.454 5.636 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H]3c1ccccc1OC ZINC000023433374 557355655 /nfs/dbraw/zinc/35/56/55/557355655.db2.gz ZENCZAPMEYUNEE-CLYVBNDRSA-N 0 0 448.607 6.122 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C3CCCCC3)c2)n(-c2cccc(F)c2)n1 ZINC000023432477 557355659 /nfs/dbraw/zinc/35/56/59/557355659.db2.gz DHBRFVFTAJSPEF-UHFFFAOYSA-N 0 0 435.499 5.374 50 0 IKAARN CCOC(=O)c1c(NC(=O)C2CCCC2)c(-c2cccc(F)c2)cn1Cc1ccccc1 ZINC000023432558 557355755 /nfs/dbraw/zinc/35/57/55/557355755.db2.gz DXBNTCZXWCPQGF-UHFFFAOYSA-N 0 0 434.511 5.648 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1cc(C)oc1C)CC2 ZINC000023434033 557355951 /nfs/dbraw/zinc/35/59/51/557355951.db2.gz ZMLCDMGZSNAKBI-HSZRJFAPSA-N 0 0 425.912 5.355 50 0 IKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCc1ccccc1OCC ZINC000023433575 557355984 /nfs/dbraw/zinc/35/59/84/557355984.db2.gz RLLVXTJEFCXMIM-UHFFFAOYSA-N 0 0 445.441 5.350 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(F)cc1F)CC2 ZINC000023448759 557356276 /nfs/dbraw/zinc/35/62/76/557356276.db2.gz IEOHEADRVSWVGD-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccc(F)cc1F)CC2 ZINC000023448757 557356335 /nfs/dbraw/zinc/35/63/35/557356335.db2.gz IEOHEADRVSWVGD-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1cc(F)ccc1F)CC2 ZINC000023449419 557356384 /nfs/dbraw/zinc/35/63/84/557356384.db2.gz CJPARGXHJKCTQK-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)[C@@H](C)Oc3ccccc3)nc2c1 ZINC000023450040 557356516 /nfs/dbraw/zinc/35/65/16/557356516.db2.gz RDGZFMDUJGFWSV-GOSISDBHSA-N 0 0 434.923 5.786 50 0 IKAARN Cc1c2ccccc2oc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023450265 557356523 /nfs/dbraw/zinc/35/65/23/557356523.db2.gz DHFKOPKLTLZGOV-RUZDIDTESA-N 0 0 428.507 5.428 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCCCc4ccccc4)c3)n2)o1 ZINC000023450149 557356541 /nfs/dbraw/zinc/35/65/41/557356541.db2.gz UOWRSMMWHWNSAD-UHFFFAOYSA-N 0 0 443.551 5.107 50 0 IKAARN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1)c1ccccc1 ZINC000023450161 557356591 /nfs/dbraw/zinc/35/65/91/557356591.db2.gz BAORDOTYIXUSQS-HNNXBMFYSA-N 0 0 436.342 6.542 50 0 IKAARN C[C@@H](Oc1ccccc1)C(=O)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023450254 557356612 /nfs/dbraw/zinc/35/66/12/557356612.db2.gz UZXSZIRWCDYGLZ-MRXNPFEDSA-N 0 0 438.886 5.617 50 0 IKAARN Cc1c2ccccc2oc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023450262 557356635 /nfs/dbraw/zinc/35/66/35/557356635.db2.gz DHFKOPKLTLZGOV-VWLOTQADSA-N 0 0 428.507 5.428 50 0 IKAARN C[C@@H](NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1)c1ccccc1 ZINC000023451312 557357096 /nfs/dbraw/zinc/35/70/96/557357096.db2.gz OUWWRNOWHSTHTI-MRXNPFEDSA-N 0 0 435.449 6.254 50 0 IKAARN COc1cccc(CC(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccccc2Cl)c1 ZINC000023451630 557357102 /nfs/dbraw/zinc/35/71/02/557357102.db2.gz HSTMRYYILQJPGT-UHFFFAOYSA-N 0 0 434.923 5.570 50 0 IKAARN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023451264 557357131 /nfs/dbraw/zinc/35/71/31/557357131.db2.gz CZCYJEZVGYDQPC-UHFFFAOYSA-N 0 0 440.305 6.120 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)Cc1nc2cc(Cl)ccc2o1 ZINC000023451565 557357147 /nfs/dbraw/zinc/35/71/47/557357147.db2.gz UDMLDCNCOPSSAY-UHFFFAOYSA-N 0 0 435.694 6.224 50 0 IKAARN O=C(NCCc1cccs1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023451316 557357161 /nfs/dbraw/zinc/35/71/61/557357161.db2.gz WXQVMHMTYBBXFH-UHFFFAOYSA-N 0 0 442.371 6.085 50 0 IKAARN CCCNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(Cl)cc2Cl)cc1 ZINC000023438373 557357373 /nfs/dbraw/zinc/35/73/73/557357373.db2.gz WPDQAKUHMUYMID-UHFFFAOYSA-N 0 0 446.334 5.163 50 0 IKAARN O=C(CCOc1ccccc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023451879 557357381 /nfs/dbraw/zinc/35/73/81/557357381.db2.gz PBKYXUSRFMYBGD-UHFFFAOYSA-N 0 0 443.522 5.475 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C=C(C)C)[C@@H]3c1cc(Br)cs1 ZINC000023438607 557357420 /nfs/dbraw/zinc/35/74/20/557357420.db2.gz HCFNDVOFTWJTNQ-OAQYLSRUSA-N 0 0 445.382 5.441 50 0 IKAARN CCOC(=O)c1c(NC(=O)C2CCCC2)c(-c2ccc(OC)cc2)cn1Cc1ccccc1 ZINC000023438470 557357442 /nfs/dbraw/zinc/35/74/42/557357442.db2.gz UNXHASZQEBGMSC-UHFFFAOYSA-N 0 0 446.547 5.517 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(C(=O)NC(C)C)cc2)n1 ZINC000023439353 557357703 /nfs/dbraw/zinc/35/77/03/557357703.db2.gz JXAQONVSXHMRGS-UHFFFAOYSA-N 0 0 446.334 5.161 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1cccc(F)c1)CC2 ZINC000023439794 557357720 /nfs/dbraw/zinc/35/77/20/557357720.db2.gz QQBRBMCWSVBNOD-QHCPKHFHSA-N 0 0 425.887 5.284 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccccc1F)CC2 ZINC000023440882 557357894 /nfs/dbraw/zinc/35/78/94/557357894.db2.gz PVPYNPJFNGQOIZ-QHCPKHFHSA-N 0 0 425.887 5.284 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000023441203 557357990 /nfs/dbraw/zinc/35/79/90/557357990.db2.gz WLBULRVXUVFDSW-HSZRJFAPSA-N 0 0 440.902 5.676 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCCSCc4ccccc4)cc3)n[nH]2)c1 ZINC000023441948 557358378 /nfs/dbraw/zinc/35/83/78/557358378.db2.gz JTVVFIRICYYWRI-UHFFFAOYSA-N 0 0 443.572 5.416 50 0 IKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1c(OC)cccc1OC ZINC000023445004 557358566 /nfs/dbraw/zinc/35/85/66/557358566.db2.gz PLDKFSRHATYBRV-OAHLLOKOSA-N 0 0 439.533 5.346 50 0 IKAARN COc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000023445270 557358592 /nfs/dbraw/zinc/35/85/92/557358592.db2.gz SZUMBCHLTVYWNH-DEOSSOPVSA-N 0 0 437.923 5.154 50 0 IKAARN COc1cc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC000023444137 557358597 /nfs/dbraw/zinc/35/85/97/557358597.db2.gz LSMIBRPQMWDKOY-LLGFUMIMSA-N 0 0 448.563 5.482 50 0 IKAARN COc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000023445273 557358638 /nfs/dbraw/zinc/35/86/38/557358638.db2.gz SZUMBCHLTVYWNH-XMMPIXPASA-N 0 0 437.923 5.154 50 0 IKAARN CCOc1ccccc1C(=O)NCc1ccc(-c2nc(-c3cccc(OC)c3)c[nH]2)cc1 ZINC000023446012 557358786 /nfs/dbraw/zinc/35/87/86/557358786.db2.gz CMZWYFZDVFJQDJ-UHFFFAOYSA-N 0 0 427.504 5.081 50 0 IKAARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2Cl)c1 ZINC000023445489 557358913 /nfs/dbraw/zinc/35/89/13/557358913.db2.gz QPKNQHLCRUSPBE-DEOSSOPVSA-N 0 0 437.923 5.154 50 0 IKAARN CC[C@H](C(=O)NCc1cccc(-c2nc(-c3cccc(OC)c3)c[nH]2)c1)c1ccccc1 ZINC000023445711 557358921 /nfs/dbraw/zinc/35/89/21/557358921.db2.gz NGQNOBORCZOSOK-DEOSSOPVSA-N 0 0 425.532 5.562 50 0 IKAARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2Cl)c1 ZINC000023445492 557358962 /nfs/dbraw/zinc/35/89/62/557358962.db2.gz QPKNQHLCRUSPBE-XMMPIXPASA-N 0 0 437.923 5.154 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccc(F)cc1F)CC2 ZINC000023447245 557359072 /nfs/dbraw/zinc/35/90/72/557359072.db2.gz XKEDIPVKUOUVDO-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN O=C(NCc1c(F)cccc1F)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023452011 557359195 /nfs/dbraw/zinc/35/91/95/557359195.db2.gz QFVQKSRAEZEQEY-UHFFFAOYSA-N 0 0 425.385 5.026 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023446731 557359217 /nfs/dbraw/zinc/35/92/17/557359217.db2.gz HUVGSILVHHMHIS-SFHVURJKSA-N 0 0 431.486 5.569 50 0 IKAARN COc1cccc(-c2cccc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)n2)c1 ZINC000023452051 557359475 /nfs/dbraw/zinc/35/94/75/557359475.db2.gz BSVHQGBXLGXMBL-UHFFFAOYSA-N 0 0 444.918 6.095 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000023447954 557359486 /nfs/dbraw/zinc/35/94/86/557359486.db2.gz ONBUPQPGJQKOHH-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cccc(-c2cccc(-c3ccc(NC(=O)CSc4ccccc4)cc3)n2)c1 ZINC000023447971 557359582 /nfs/dbraw/zinc/35/95/82/557359582.db2.gz BOJNDLRFHFOJJL-UHFFFAOYSA-N 0 0 426.541 6.155 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N[C@@H](C)Cc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000023458687 557359705 /nfs/dbraw/zinc/35/97/05/557359705.db2.gz GOFVHGWBUTYDMT-SFHVURJKSA-N 0 0 444.962 6.315 50 0 IKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000023458372 557359731 /nfs/dbraw/zinc/35/97/31/557359731.db2.gz LPTBRRILLTUOHG-UHFFFAOYSA-N 0 0 443.934 5.434 50 0 IKAARN O=C(c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1)N1CCc2ccccc2C1 ZINC000023458925 557359808 /nfs/dbraw/zinc/35/98/08/557359808.db2.gz LQNLJGJPTSWPIX-UHFFFAOYSA-N 0 0 447.460 5.961 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)c(F)c1)n2Cc1ccccn1 ZINC000023459882 557360052 /nfs/dbraw/zinc/36/00/52/557360052.db2.gz UKMLYNWFGWCZPY-UHFFFAOYSA-N 0 0 435.524 5.396 50 0 IKAARN CCCNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1 ZINC000023459681 557360088 /nfs/dbraw/zinc/36/00/88/557360088.db2.gz BBSZSUDVGALFLL-UHFFFAOYSA-N 0 0 427.504 5.009 50 0 IKAARN CCOc1cccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023460180 557360313 /nfs/dbraw/zinc/36/03/13/557360313.db2.gz DNZYYRGJHPSLRJ-UHFFFAOYSA-N 0 0 443.522 5.718 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1F)n2Cc1ccccc1 ZINC000023460452 557360379 /nfs/dbraw/zinc/36/03/79/557360379.db2.gz KLAUIOXFGPATSS-UHFFFAOYSA-N 0 0 438.499 5.832 50 0 IKAARN COc1cc(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)cc(OC)c1OC ZINC000023460143 557360423 /nfs/dbraw/zinc/36/04/23/557360423.db2.gz CNWRNTPXTZQDAZ-UHFFFAOYSA-N 0 0 429.394 6.206 50 0 IKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC000023460789 557360660 /nfs/dbraw/zinc/36/06/60/557360660.db2.gz GXLCYHYZVLTGQH-UHFFFAOYSA-N 0 0 435.527 5.049 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n2Cc1cccc(F)c1 ZINC000023461037 557360707 /nfs/dbraw/zinc/36/07/07/557360707.db2.gz BBHPIXBKUGHIBK-UHFFFAOYSA-N 0 0 438.499 5.832 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1F)n2Cc1ccccn1 ZINC000023460804 557360726 /nfs/dbraw/zinc/36/07/26/557360726.db2.gz OOZURMGIDOPYPK-UHFFFAOYSA-N 0 0 435.524 5.396 50 0 IKAARN COc1cccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1C ZINC000023461698 557360958 /nfs/dbraw/zinc/36/09/58/557360958.db2.gz REFMJGXDQREZAJ-UHFFFAOYSA-N 0 0 443.522 5.637 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)cccc1F)n2Cc1ccccc1 ZINC000023461450 557360963 /nfs/dbraw/zinc/36/09/63/557360963.db2.gz JPIGCXIYGZOJOQ-UHFFFAOYSA-N 0 0 438.499 5.832 50 0 IKAARN CCOc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc(OC)c4)CC3)n2)cc1 ZINC000023462056 557361262 /nfs/dbraw/zinc/36/12/62/557361262.db2.gz VFWKNPKWLHBVIA-UHFFFAOYSA-N 0 0 440.547 5.031 50 0 IKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000102650671 557361284 /nfs/dbraw/zinc/36/12/84/557361284.db2.gz RSKLBVAJBPWPTQ-VWLOTQADSA-N 0 0 436.983 7.323 50 0 IKAARN CC[C@@H](C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccccc1Cl)c1ccccc1 ZINC000023453017 557361541 /nfs/dbraw/zinc/36/15/41/557361541.db2.gz JLTCFLGUSVHBNV-OAQYLSRUSA-N 0 0 432.951 6.512 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n2Cc1ccco1 ZINC000023453329 557361548 /nfs/dbraw/zinc/36/15/48/557361548.db2.gz YNRQNMYDLJOFPA-UHFFFAOYSA-N 0 0 426.925 5.800 50 0 IKAARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC ZINC000102675470 557361602 /nfs/dbraw/zinc/36/16/02/557361602.db2.gz RTPGHDKDIVDCGI-RUZDIDTESA-N 0 0 448.563 6.152 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H](C)CCc4ccccc4)c3)n2)o1 ZINC000023453801 557361752 /nfs/dbraw/zinc/36/17/52/557361752.db2.gz VHSSXTUMECBPHK-GOSISDBHSA-N 0 0 443.551 5.105 50 0 IKAARN Cc1ccccc1CCC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023453997 557361848 /nfs/dbraw/zinc/36/18/48/557361848.db2.gz ZZQAYPQXPCXLAY-UHFFFAOYSA-N 0 0 441.550 5.947 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCCOc3ccc(OC)cc3)c3ccccc3n2)cc1 ZINC000023454940 557362172 /nfs/dbraw/zinc/36/21/72/557362172.db2.gz WIGPSVPLBIBCNO-UHFFFAOYSA-N 0 0 442.515 5.118 50 0 IKAARN COc1ccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c(C)c1 ZINC000023454465 557362176 /nfs/dbraw/zinc/36/21/76/557362176.db2.gz LYKWXCURZALDLJ-UHFFFAOYSA-N 0 0 439.559 5.421 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCc3c(F)cccc3F)cc2)cc1 ZINC000023454497 557362185 /nfs/dbraw/zinc/36/21/85/557362185.db2.gz RJQVHQPHRPTIPP-UHFFFAOYSA-N 0 0 445.513 6.090 50 0 IKAARN O=C(Cc1ccc(F)cc1)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023454467 557362200 /nfs/dbraw/zinc/36/22/00/557362200.db2.gz TVVQGWZWRCHKMI-UHFFFAOYSA-N 0 0 439.534 5.762 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000023454730 557362201 /nfs/dbraw/zinc/36/22/01/557362201.db2.gz ASZTXNHFAXSDBM-UHFFFAOYSA-N 0 0 445.906 5.098 50 0 IKAARN Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(Br)cc2)c1 ZINC000023454601 557362207 /nfs/dbraw/zinc/36/22/07/557362207.db2.gz MUMYABPHEPLBFY-UHFFFAOYSA-N 0 0 432.321 5.863 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c(OC)c1 ZINC000102664082 557362303 /nfs/dbraw/zinc/36/23/03/557362303.db2.gz VORZGSGFJCBSCU-JOCHJYFZSA-N 0 0 448.548 5.259 50 0 IKAARN CCOc1ccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3F)C2)cc1Cl ZINC000102664457 557362355 /nfs/dbraw/zinc/36/23/55/557362355.db2.gz JAPMOOOYQDBUHU-KRWDZBQOSA-N 0 0 449.711 5.288 50 0 IKAARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102667108 557362609 /nfs/dbraw/zinc/36/26/09/557362609.db2.gz AGNJPSRFCATBJL-CWTRNNRKSA-N 0 0 446.379 5.640 50 0 IKAARN O=C(NC1Cc2ccccc2C1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023456472 557362740 /nfs/dbraw/zinc/36/27/40/557362740.db2.gz DSFFRBNCKFGXSO-UHFFFAOYSA-N 0 0 447.460 5.660 50 0 IKAARN CCCCc1ccc(CNC(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc32)cc1 ZINC000023456874 557362756 /nfs/dbraw/zinc/36/27/56/557362756.db2.gz WQPZHAQMYBKHAH-UHFFFAOYSA-N 0 0 438.571 6.573 50 0 IKAARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000102671301 557362788 /nfs/dbraw/zinc/36/27/88/557362788.db2.gz HTLLYNIQBSCNJA-MNNSJKJDSA-N 0 0 438.571 7.129 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(CC)cc1)n2Cc1ccccn1 ZINC000023457215 557362949 /nfs/dbraw/zinc/36/29/49/557362949.db2.gz XKCIGCMQDOQEBG-UHFFFAOYSA-N 0 0 431.561 5.511 50 0 IKAARN COc1cc2nc(-c3ccc(C)o3)cc(C(=O)NCCc3ccc(C)cc3)c2cc1OC ZINC000023457562 557362958 /nfs/dbraw/zinc/36/29/58/557362958.db2.gz NLXQOISRQNNOIO-UHFFFAOYSA-N 0 0 430.504 5.101 50 0 IKAARN COc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)CCc4ccccc4)c3)n2)c1 ZINC000023457258 557362966 /nfs/dbraw/zinc/36/29/66/557362966.db2.gz VQHPYEKPYNIIDT-UHFFFAOYSA-N 0 0 438.527 6.004 50 0 IKAARN Cc1ccc(C)c(CC(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023457436 557362985 /nfs/dbraw/zinc/36/29/85/557362985.db2.gz UAPRROAUCGAKQF-UHFFFAOYSA-N 0 0 441.550 5.865 50 0 IKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1cncc(Br)c1 ZINC000023458034 557363246 /nfs/dbraw/zinc/36/32/46/557363246.db2.gz BEDFRHMAIJTUMO-UHFFFAOYSA-N 0 0 448.295 5.965 50 0 IKAARN O=C(c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000023457879 557363294 /nfs/dbraw/zinc/36/32/94/557363294.db2.gz SOARUCUJCDGNEI-UHFFFAOYSA-N 0 0 448.353 6.249 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1-c1ccc(C)cc1 ZINC000023457813 557363326 /nfs/dbraw/zinc/36/33/26/557363326.db2.gz FCSSWZALPIFXTO-UHFFFAOYSA-N 0 0 426.560 6.814 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc3c(c2)C(N2CCCC2)=Nc2ccccc2O3)cc1 ZINC000102695719 557364736 /nfs/dbraw/zinc/36/47/36/557364736.db2.gz SJUHXNIAYCCGJA-UHFFFAOYSA-N 0 0 427.504 5.156 50 0 IKAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023534422 557365497 /nfs/dbraw/zinc/36/54/97/557365497.db2.gz IGJLRNMIZORXMM-UHFFFAOYSA-N 0 0 434.499 5.458 50 0 IKAARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102702085 557365775 /nfs/dbraw/zinc/36/57/75/557365775.db2.gz QMJPXRTYIUZVBT-XYZCENFISA-N 0 0 436.340 5.233 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102703517 557366040 /nfs/dbraw/zinc/36/60/40/557366040.db2.gz FWPXXWJCAFWHHE-YTFSRNRJSA-N 0 0 432.907 5.008 50 0 IKAARN Cc1cccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000102706572 557366398 /nfs/dbraw/zinc/36/63/98/557366398.db2.gz VCKMBHWNGBOGEH-UODIDJSMSA-N 0 0 434.495 5.199 50 0 IKAARN Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102707026 557366799 /nfs/dbraw/zinc/36/67/99/557366799.db2.gz XDVFYFCTFGIXLK-CCDWMCETSA-N 0 0 438.458 5.030 50 0 IKAARN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1C ZINC000102706632 557366815 /nfs/dbraw/zinc/36/68/15/557366815.db2.gz DJOYRLBCLJOQFF-GMQQYTKMSA-N 0 0 448.522 5.508 50 0 IKAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CSc3c[nH]c4ccccc43)C2)n1 ZINC000220821327 557367421 /nfs/dbraw/zinc/36/74/21/557367421.db2.gz GJKLGBXZZIMFPU-SFHVURJKSA-N 0 0 446.576 5.100 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000102710059 557367879 /nfs/dbraw/zinc/36/78/79/557367879.db2.gz SFWRWQOJEDGSAH-RUZDIDTESA-N 0 0 434.536 5.906 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000102676544 557368037 /nfs/dbraw/zinc/36/80/37/557368037.db2.gz KVALJVQIKPOBBW-LXQWYYQBSA-N 0 0 447.531 5.964 50 0 IKAARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102678694 557368190 /nfs/dbraw/zinc/36/81/90/557368190.db2.gz YRRGIRMXBSLSSV-KBMIEXCESA-N 0 0 444.535 5.571 50 0 IKAARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102678696 557368319 /nfs/dbraw/zinc/36/83/19/557368319.db2.gz YRRGIRMXBSLSSV-CLOONOSVSA-N 0 0 444.535 5.571 50 0 IKAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cc2ccccc2c(=O)o1 ZINC000011689990 557368434 /nfs/dbraw/zinc/36/84/34/557368434.db2.gz KUIUJOFHVPKZMH-UHFFFAOYSA-N 0 0 431.300 5.399 50 0 IKAARN CCOc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)cc1 ZINC000011689945 557368505 /nfs/dbraw/zinc/36/85/05/557368505.db2.gz SAJUYMTUKCITDR-UHFFFAOYSA-N 0 0 439.475 5.035 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000011690021 557368865 /nfs/dbraw/zinc/36/88/65/557368865.db2.gz NUVYKJPDRUZTPS-UHFFFAOYSA-N 0 0 445.931 6.448 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000102720327 557368925 /nfs/dbraw/zinc/36/89/25/557368925.db2.gz OCXXIVZWHUWTGY-FYSMJZIKSA-N 0 0 446.503 5.617 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000524730497 557369166 /nfs/dbraw/zinc/36/91/66/557369166.db2.gz LBDYFOPUCFKBSV-MRXNPFEDSA-N 0 0 446.842 5.095 50 0 biogenic IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102722597 557369165 /nfs/dbraw/zinc/36/91/65/557369165.db2.gz MQGPCBFYKQYAIN-IBVKSMDESA-N 0 0 448.526 5.889 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102722582 557369245 /nfs/dbraw/zinc/36/92/45/557369245.db2.gz MQGPCBFYKQYAIN-RXFWQSSRSA-N 0 0 448.526 5.889 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102722588 557369249 /nfs/dbraw/zinc/36/92/49/557369249.db2.gz MQGPCBFYKQYAIN-FQRUVTKNSA-N 0 0 448.526 5.889 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)cc1 ZINC000102724099 557369268 /nfs/dbraw/zinc/36/92/68/557369268.db2.gz MFSGSBQMJYAGOJ-CTNGQTDRSA-N 0 0 440.728 5.740 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cc2ccc(O)cc2o/c1=N\Nc1ccc(Cl)cc1 ZINC000050011496 557369384 /nfs/dbraw/zinc/36/93/84/557369384.db2.gz WGGNRXHSFYIZNM-QYQHSDTDSA-N 0 0 440.286 5.625 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc(F)c(Cl)c4)CC3=O)n2)cc1OC ZINC000102726090 557369987 /nfs/dbraw/zinc/36/99/87/557369987.db2.gz BVTMWAOBMRZMIA-UHFFFAOYSA-N 0 0 445.903 5.386 50 0 IKAARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102727554 557370280 /nfs/dbraw/zinc/37/02/80/557370280.db2.gz MYRHAKXGORPFSA-YEJXKQKISA-N 0 0 441.314 6.603 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)s1 ZINC000102727633 557370307 /nfs/dbraw/zinc/37/03/07/557370307.db2.gz UETCPJUTMOAIOM-PXNSSMCTSA-N 0 0 426.339 5.456 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102728697 557370641 /nfs/dbraw/zinc/37/06/41/557370641.db2.gz IYGHJVDWDNIWHR-MWTRTKDXSA-N 0 0 432.476 5.314 50 0 IKAARN CC(C)C[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1)c1nnc2ccccn21 ZINC000524734278 557370838 /nfs/dbraw/zinc/37/08/38/557370838.db2.gz PFYNIMIZKNOSHR-LEWJYISDSA-N 0 0 435.959 5.067 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4cccc(Br)c4)CC3=O)n2)cc1 ZINC000102729002 557370944 /nfs/dbraw/zinc/37/09/44/557370944.db2.gz JDILDXSWYFUBBS-UHFFFAOYSA-N 0 0 442.338 5.348 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524735508 557371216 /nfs/dbraw/zinc/37/12/16/557371216.db2.gz GQAKJZTVKXZKKR-GOTSBHOMSA-N 0 0 432.593 5.823 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@H](C(C)C)O[C@H]2C(C)C ZINC000524733563 557371228 /nfs/dbraw/zinc/37/12/28/557371228.db2.gz WCOFHAMHJJNIMX-QUCCMNQESA-N 0 0 445.581 5.480 50 0 IKAARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1 ZINC000524735288 557371234 /nfs/dbraw/zinc/37/12/34/557371234.db2.gz OHSSLCHHZJYGQR-GOTSBHOMSA-N 0 0 432.955 5.371 50 0 IKAARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000102731589 557371529 /nfs/dbraw/zinc/37/15/29/557371529.db2.gz YWUHXCWFBDRRAC-SZNDQCEHSA-N 0 0 425.315 6.898 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N([C@H](C)CCc4ccccc4)CC3=O)n2)cc1OC ZINC000102731868 557371686 /nfs/dbraw/zinc/37/16/86/557371686.db2.gz COWGMRQKVADLBA-MRXNPFEDSA-N 0 0 449.576 5.411 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)s1 ZINC000102731930 557371834 /nfs/dbraw/zinc/37/18/34/557371834.db2.gz NMKODZJMXPJNKU-RXVVDRJESA-N 0 0 425.351 6.061 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102732992 557372175 /nfs/dbraw/zinc/37/21/75/557372175.db2.gz IUTLYTNICBKNHE-ISJGIBHGSA-N 0 0 440.543 5.031 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102735944 557373229 /nfs/dbraw/zinc/37/32/29/557373229.db2.gz IZRGMSVRVHAMNO-CCDWMCETSA-N 0 0 438.458 5.030 50 0 IKAARN CCc1ccc(C(=O)N2CCCN(c3nc(-c4ccccc4)nc(C)c3C(C)C)CC2)cc1 ZINC000033879295 557374750 /nfs/dbraw/zinc/37/47/50/557374750.db2.gz ZKLFURDMZQGPIY-UHFFFAOYSA-N 0 0 442.607 5.490 50 0 IKAARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O ZINC000102716937 557375306 /nfs/dbraw/zinc/37/53/06/557375306.db2.gz UJBZXYAFASJMCL-QRQCRPRQSA-N 0 0 432.476 5.314 50 0 IKAARN COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000102718907 557375336 /nfs/dbraw/zinc/37/53/36/557375336.db2.gz CVVXFOSGVKKCCL-QFIPXVFZSA-N 0 0 431.492 5.118 50 0 IKAARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc(OC)c1O ZINC000102720012 557375548 /nfs/dbraw/zinc/37/55/48/557375548.db2.gz ZWMDKRHPXHNYDG-RCDICMHDSA-N 0 0 448.475 5.019 50 0 IKAARN COc1ccc(OC)c([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)c1 ZINC000102719292 557375721 /nfs/dbraw/zinc/37/57/21/557375721.db2.gz URSKXRRSLLNFJN-IQMFZBJNSA-N 0 0 432.476 5.314 50 0 IKAARN COc1cc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(=O)C32)ccc1O ZINC000102743962 557376953 /nfs/dbraw/zinc/37/69/53/557376953.db2.gz ARMOYIVKYFSWTF-ZUOKHONESA-N 0 0 438.871 5.066 50 0 IKAARN COc1cc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(Cl)cc4)CC(=O)C32)ccc1O ZINC000102743976 557377079 /nfs/dbraw/zinc/37/70/79/557377079.db2.gz ARMOYIVKYFSWTF-RBZFPXEDSA-N 0 0 438.871 5.066 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)cc1OC ZINC000102745796 557378156 /nfs/dbraw/zinc/37/81/56/557378156.db2.gz GJMCKONYJBLBDT-BWKNWUBXSA-N 0 0 432.545 5.668 50 0 IKAARN CC(C)c1ccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)cc1 ZINC000102763812 557380819 /nfs/dbraw/zinc/38/08/19/557380819.db2.gz CSKDLVXMQNVRAT-LJQANCHMSA-N 0 0 442.304 5.062 50 0 IKAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000102752833 557383515 /nfs/dbraw/zinc/38/35/15/557383515.db2.gz LDNOEDBPXLUFCK-ISJGIBHGSA-N 0 0 440.543 5.344 50 0 IKAARN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102755966 557384192 /nfs/dbraw/zinc/38/41/92/557384192.db2.gz UMZFKDLJITZBCJ-JIMJEQGWSA-N 0 0 434.495 5.199 50 0 IKAARN CCc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000011692016 557385072 /nfs/dbraw/zinc/38/50/72/557385072.db2.gz LJPGWXYJJYLHRD-UHFFFAOYSA-N 0 0 427.479 5.162 50 0 IKAARN COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2F)cc1OC ZINC000011692010 557385105 /nfs/dbraw/zinc/38/51/05/557385105.db2.gz IQDQFJDKHDLXKB-UHFFFAOYSA-N 0 0 435.476 5.337 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccccc3F)oc3c4ccccc4sc3c2=O)cc1 ZINC000011691996 557385123 /nfs/dbraw/zinc/38/51/23/557385123.db2.gz MCXOLVZEVOXHKV-UHFFFAOYSA-N 0 0 445.471 6.075 50 0 IKAARN COc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccco1 ZINC000011692100 557387354 /nfs/dbraw/zinc/38/73/54/557387354.db2.gz QDYIMZZTNWNIOR-UHFFFAOYSA-N 0 0 440.503 5.550 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000102792710 557388474 /nfs/dbraw/zinc/38/84/74/557388474.db2.gz GBSAGACUTNJOCD-FRNMMJFESA-N 0 0 426.947 6.777 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000102794845 557388748 /nfs/dbraw/zinc/38/87/48/557388748.db2.gz CXLDHSSULMVOMU-MNNSJKJDSA-N 0 0 436.555 6.955 50 0 IKAARN CCn1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c2ccccc21 ZINC000025514004 557389820 /nfs/dbraw/zinc/38/98/20/557389820.db2.gz QEBQGYJCXXUZKX-UHFFFAOYSA-N 0 0 437.593 7.470 50 0 IKAARN COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cc(Cl)ccc4Cl)c3)cn2n1 ZINC000011693546 557391172 /nfs/dbraw/zinc/39/11/72/557391172.db2.gz VAHMCTXMDGUBFY-UHFFFAOYSA-N 0 0 431.254 5.103 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000102810740 557393134 /nfs/dbraw/zinc/39/31/34/557393134.db2.gz ZICRRLRPOUOOGN-SFHVURJKSA-N 0 0 427.589 5.407 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4ccoc4C)n3-c3ccccc3)no2)cc1 ZINC000024046297 557393239 /nfs/dbraw/zinc/39/32/39/557393239.db2.gz JSKBZKIIPCIUBV-UHFFFAOYSA-N 0 0 445.504 5.187 50 0 IKAARN O[C@@]1(c2ccccc2)c2cc(Cl)ccc2N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000034074898 557393492 /nfs/dbraw/zinc/39/34/92/557393492.db2.gz LVCURTBKNKRJPS-SANMLTNESA-N 0 0 445.349 6.785 50 0 IKAARN O=C(Nc1ccc2cc[nH]c2c1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000072401739 557395068 /nfs/dbraw/zinc/39/50/68/557395068.db2.gz KEBHEIXZETVTAJ-XMMPIXPASA-N 0 0 427.548 5.601 50 0 IKAARN Cc1c(C)c(C)c(S(=O)(=O)Cc2nnc(-c3ccccc3Br)o2)c(C)c1C ZINC000060928953 557396458 /nfs/dbraw/zinc/39/64/58/557396458.db2.gz FEGTXSYJBMCYFS-UHFFFAOYSA-N 0 0 449.370 5.015 50 0 IKAARN CC(=O)Oc1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)c1 ZINC000033429186 557396735 /nfs/dbraw/zinc/39/67/35/557396735.db2.gz XYHZLGQDJQSASG-UHFFFAOYSA-N 0 0 429.423 5.607 50 0 IKAARN COc1ccc(OC)c2c1cc(C(=O)Nc1ccc(Oc3cccc4[nH]ccc43)nc1)n2C ZINC000072405228 557397013 /nfs/dbraw/zinc/39/70/13/557397013.db2.gz FZXMXDKACNELNE-UHFFFAOYSA-N 0 0 442.475 5.116 50 0 IKAARN CC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000033437706 557397615 /nfs/dbraw/zinc/39/76/15/557397615.db2.gz PXOFLVJDYUOHCP-RLWLMLJZSA-N 0 0 442.578 6.574 50 0 IKAARN CCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000033432625 557397625 /nfs/dbraw/zinc/39/76/25/557397625.db2.gz JZUFNCVHOQHUTF-UHFFFAOYSA-N 0 0 435.593 5.529 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004862969 557398606 /nfs/dbraw/zinc/39/86/06/557398606.db2.gz DRNMZJKMURLSBL-XCZPVHLTSA-N 0 0 426.560 6.806 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004862968 557398698 /nfs/dbraw/zinc/39/86/98/557398698.db2.gz DRNMZJKMURLSBL-XTEPFMGCSA-N 0 0 426.560 6.806 50 0 IKAARN Cc1cc2c(cc1C)N[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102858303 557399175 /nfs/dbraw/zinc/39/91/75/557399175.db2.gz FHHJRYBHDMQRIE-NDEPHWFRSA-N 0 0 438.571 7.967 50 0 IKAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1cccs1 ZINC000033450349 557399291 /nfs/dbraw/zinc/39/92/91/557399291.db2.gz OTAYWEJJUAMZPL-IBGZPJMESA-N 0 0 438.593 5.162 50 0 IKAARN COc1cc2nc(SCc3ccc(F)cc3)n(Cc3cccs3)c(=N)c2cc1OC ZINC000100330593 557400157 /nfs/dbraw/zinc/40/01/57/557400157.db2.gz KRNOBUVQBORWEP-UHFFFAOYSA-N 0 0 441.553 5.074 50 0 aggregator IKAARN COCCn1c(-c2cccs2)c(NC(=O)c2ccc(C)cc2)s/c1=N/c1ccccc1 ZINC000100375855 557401524 /nfs/dbraw/zinc/40/15/24/557401524.db2.gz YMFXBKRAKGPHCZ-OCOZRVBESA-N 0 0 449.601 5.718 50 0 IKAARN CCCCCNC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1 ZINC000033491247 557401807 /nfs/dbraw/zinc/40/18/07/557401807.db2.gz VXBBNSSHDQMRSD-UHFFFAOYSA-N 0 0 443.563 5.544 50 0 IKAARN CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004897690 557402050 /nfs/dbraw/zinc/40/20/50/557402050.db2.gz GCUNXFHHCXMPOA-XCZPVHLTSA-N 0 0 426.560 6.840 50 0 IKAARN Cc1ccccc1NC(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000033502864 557402472 /nfs/dbraw/zinc/40/24/72/557402472.db2.gz MLNCGSQMQGGERT-PXLXIMEGSA-N 0 0 445.519 5.250 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100429657 557402671 /nfs/dbraw/zinc/40/26/71/557402671.db2.gz DYWAUUYYCXLNMX-QLXKLKPCSA-N 0 0 446.934 6.893 50 0 IKAARN CC(C)N(C(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2)C1CCCCC1 ZINC000004901590 557402705 /nfs/dbraw/zinc/40/27/05/557402705.db2.gz YHFZWOZLBSAGRY-UHFFFAOYSA-N 0 0 431.045 6.429 50 0 IKAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)NCCC1=CCCCC1 ZINC000004904729 557403029 /nfs/dbraw/zinc/40/30/29/557403029.db2.gz QNLARXCNXYFBPZ-UHFFFAOYSA-N 0 0 431.580 5.619 50 0 IKAARN CCn1cc(CN(C(=S)Nc2ccc(C)cc2C)C2CCCCCC2)c2ccccc21 ZINC000004913455 557403925 /nfs/dbraw/zinc/40/39/25/557403925.db2.gz CQTMUPRTMULDDI-UHFFFAOYSA-N 0 0 433.665 7.200 50 0 IKAARN CCn1cc(CN(C(=S)Nc2cccc(Cl)c2)C2CCCCC2)c2ccccc21 ZINC000004913685 557404000 /nfs/dbraw/zinc/40/40/00/557404000.db2.gz VQDAQKKOFNCGGP-UHFFFAOYSA-N 0 0 426.029 6.846 50 0 IKAARN CC(C)(C)c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000102864611 557404028 /nfs/dbraw/zinc/40/40/28/557404028.db2.gz JWIFDSHQTVANIX-RUZDIDTESA-N 0 0 446.635 7.859 50 0 IKAARN Cn1cc(CN(C(=S)Nc2cccc(Cl)c2)C2CCCCCC2)c2ccccc21 ZINC000004912674 557404321 /nfs/dbraw/zinc/40/43/21/557404321.db2.gz ABGQHKGEZDBCDL-UHFFFAOYSA-N 0 0 426.029 6.754 50 0 IKAARN COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc(OC)c1OC ZINC000102865312 557404479 /nfs/dbraw/zinc/40/44/79/557404479.db2.gz QMBZIZNFBUTWDM-RUZDIDTESA-N 0 0 431.513 5.963 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000118921912 557406381 /nfs/dbraw/zinc/40/63/81/557406381.db2.gz DGHNSOORNPGMCA-OHQRPKGTSA-N 0 0 426.645 5.278 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000034138820 557407969 /nfs/dbraw/zinc/40/79/69/557407969.db2.gz MBZXLXOYLLQWOG-RDGATRHJSA-N 0 0 436.458 5.614 50 0 IKAARN Cc1ccc(N=C(SCc2ccccc2)C(=C(Cl)C(Cl)Cl)[N+](=O)[O-])c(C)c1 ZINC000100480125 557409620 /nfs/dbraw/zinc/40/96/20/557409620.db2.gz ZWXCBAJPUCPGOR-HTXNQAPBSA-N 0 0 443.783 6.980 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(Cl)cc1 ZINC000102927909 557410370 /nfs/dbraw/zinc/41/03/70/557410370.db2.gz XWZIIQCMRFMWSQ-FQEVSTJZSA-N 0 0 448.872 6.695 50 0 IKAARN CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000102929314 557410689 /nfs/dbraw/zinc/41/06/89/557410689.db2.gz GRJNWRXXNJHRPG-MHZLTWQESA-N 0 0 446.591 7.068 50 0 IKAARN CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000102929311 557410850 /nfs/dbraw/zinc/41/08/50/557410850.db2.gz GRJNWRXXNJHRPG-HHHXNRCGSA-N 0 0 446.591 7.068 50 0 IKAARN COc1ccc(C(=O)COc2ccc3c(c2)oc(C)c(Oc2ccc(F)cc2)c3=O)cc1 ZINC000033555606 557411018 /nfs/dbraw/zinc/41/10/18/557411018.db2.gz URNTXMODIRAFQE-UHFFFAOYSA-N 0 0 434.419 5.303 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N[C@H](C)c3ccccc3)c(C)c12 ZINC000004936229 557411169 /nfs/dbraw/zinc/41/11/69/557411169.db2.gz HHCDBIRXEVPJTA-LJQANCHMSA-N 0 0 426.564 5.464 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)C(N1CCOCC1)=Nc1ccccc1O2)c1ccccc1 ZINC000102903475 557411630 /nfs/dbraw/zinc/41/16/30/557411630.db2.gz DMVSYFGRLNKQMU-NRFANRHFSA-N 0 0 441.531 5.335 50 0 IKAARN CC(=O)c1c(Oc2ncnc3scc(-c4ccc(F)cc4)c32)ccc2c(C)cc(=O)oc21 ZINC000033575832 557412734 /nfs/dbraw/zinc/41/27/34/557412734.db2.gz LGOUUDURLSYCGR-UHFFFAOYSA-N 0 0 446.459 5.907 50 0 IKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 ZINC000102969897 557414241 /nfs/dbraw/zinc/41/42/41/557414241.db2.gz CNYUPWKSMXDAJH-HHHXNRCGSA-N 0 0 446.591 7.068 50 0 IKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000102969913 557414311 /nfs/dbraw/zinc/41/43/11/557414311.db2.gz ZTSRWDCYWYGWBV-AREMUKBSSA-N 0 0 446.547 6.398 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(OC)c(OC)c2)sc2c1CCCCCC2 ZINC000033583926 557414699 /nfs/dbraw/zinc/41/46/99/557414699.db2.gz ARWJSLLTOVPMTA-OWBHPGMISA-N 0 0 443.565 5.253 50 0 IKAARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000102984735 557414722 /nfs/dbraw/zinc/41/47/22/557414722.db2.gz RHAOXPWIIXEHJR-XRHLQHRESA-N 0 0 444.531 7.003 50 0 IKAARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000102985168 557414875 /nfs/dbraw/zinc/41/48/75/557414875.db2.gz TWGJGBATYROCRQ-AREMUKBSSA-N 0 0 432.564 6.765 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000257364922 557415600 /nfs/dbraw/zinc/41/56/00/557415600.db2.gz FDBXCQIAUYDMBI-UQZFQJTFSA-N 0 0 430.481 5.487 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=N[C@@H](C)C2=O)cc1 ZINC000004972156 557421391 /nfs/dbraw/zinc/42/13/91/557421391.db2.gz MCBOTZVDNGCTOF-IBGZPJMESA-N 0 0 425.532 5.021 50 0 IKAARN Cc1ccccc1-c1nc2c(OCc3ccccc3)cccn2c1NC(C)(C)CC(C)(C)C ZINC000033618480 557422231 /nfs/dbraw/zinc/42/22/31/557422231.db2.gz JSEINMWMNSKIOV-UHFFFAOYSA-N 0 0 441.619 7.515 50 0 IKAARN CC[C@@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000004977385 557422422 /nfs/dbraw/zinc/42/24/22/557422422.db2.gz ZUVQZDRBPVPGRD-QGZVFWFLSA-N 0 0 430.589 5.152 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000103226247 557428028 /nfs/dbraw/zinc/42/80/28/557428028.db2.gz LYYOOADMOFBLJH-SQHAQQRYSA-N 0 0 444.531 5.735 50 0 IKAARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000103450748 557437377 /nfs/dbraw/zinc/43/73/77/557437377.db2.gz RENLHQBTYTUIPA-WINIVTDRSA-N 0 0 427.548 6.755 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)N(C[C@H]2[C@H](C)CC(C)=C[C@@H]2C)C2CCCCC2)cc1 ZINC000103555658 557438946 /nfs/dbraw/zinc/43/89/46/557438946.db2.gz VOWDAEUTLVCEGY-XLNZFTOWSA-N 0 0 432.630 5.207 50 0 IKAARN NC(=S)NNC(=Cc1nc(-c2ccccn2)cc2ccccc12)c1ccc(Cl)cc1 ZINC000103758567 557441526 /nfs/dbraw/zinc/44/15/26/557441526.db2.gz ZSZCHUWOCICJNX-XSFVSMFZSA-N 0 0 431.952 5.407 50 0 IKAARN CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1 ZINC000103890301 557442275 /nfs/dbraw/zinc/44/22/75/557442275.db2.gz PRWUKRXYJYHDLH-VKGTZQKMSA-N 0 0 440.543 6.723 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000014778841 557446396 /nfs/dbraw/zinc/44/63/96/557446396.db2.gz QGRSIDUVSFJHHK-CQSZACIVSA-N 0 0 434.483 5.648 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000104077755 557449796 /nfs/dbraw/zinc/44/97/96/557449796.db2.gz PVJKNBRRRAQJIF-NGOKVRLYSA-N 0 0 440.518 6.704 50 0 IKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000104153314 557451243 /nfs/dbraw/zinc/45/12/43/557451243.db2.gz CHYODOHQZJRDOV-QFIPXVFZSA-N 0 0 428.454 6.518 50 0 IKAARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000104153590 557451387 /nfs/dbraw/zinc/45/13/87/557451387.db2.gz 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6.265 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 ZINC000014802964 557456937 /nfs/dbraw/zinc/45/69/37/557456937.db2.gz BRPAAQQQWDGFQL-UHFFFAOYSA-N 0 0 446.475 5.079 50 0 IKAARN COc1ccc(CN(C(=O)c2cc(Br)c(Br)s2)C2CC2)cc1 ZINC000015034714 557457226 /nfs/dbraw/zinc/45/72/26/557457226.db2.gz NGBTZXSXJWZCOL-UHFFFAOYSA-N 0 0 445.176 5.087 50 0 IKAARN O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1ccccc1F ZINC000003162737 557458602 /nfs/dbraw/zinc/45/86/02/557458602.db2.gz WBBTWVSXTOBWJA-UHFFFAOYSA-N 0 0 431.557 7.380 50 0 IKAARN COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000014979200 557471570 /nfs/dbraw/zinc/47/15/70/557471570.db2.gz HAGMNCXPAVBPEA-UHFFFAOYSA-N 0 0 442.490 5.013 50 0 IKAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000005736970 557475648 /nfs/dbraw/zinc/47/56/48/557475648.db2.gz VOUYQVCTURYMDU-OAQYLSRUSA-N 0 0 429.586 5.438 50 0 IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000014850362 557495639 /nfs/dbraw/zinc/49/56/39/557495639.db2.gz YUWLAXSBOLEPNK-UHFFFAOYSA-N 0 0 426.557 6.669 50 0 IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000014850869 557495785 /nfs/dbraw/zinc/49/57/85/557495785.db2.gz RFLXVSZRAZIUBF-UHFFFAOYSA-N 0 0 432.520 6.013 50 0 IKAARN COc1ccccc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019898911 557498571 /nfs/dbraw/zinc/49/85/71/557498571.db2.gz LKDWIBJAODAFFN-REWPJTCUSA-N 0 0 425.315 6.244 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Oc3ccccc32)[C@H]1C ZINC000105451018 557498733 /nfs/dbraw/zinc/49/87/33/557498733.db2.gz ZWMDEIZTIUGOQB-WTSUFGCBSA-N 0 0 438.955 5.047 50 0 IKAARN Clc1ccc(/C=C2\CCCc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c32)cc1 ZINC000051330386 557501784 /nfs/dbraw/zinc/50/17/84/557501784.db2.gz CXEHLSXKXVFFMS-LVZFUZTISA-N 0 0 431.366 7.723 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)nc1C ZINC000051330454 557507294 /nfs/dbraw/zinc/50/72/94/557507294.db2.gz FCHAMQYISDHWJM-PKXVSIRFSA-N 0 0 442.588 5.612 50 0 IKAARN COCCNC(=O)C[C@@H](CCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000105548333 557507483 /nfs/dbraw/zinc/50/74/83/557507483.db2.gz JTOSLNWHOZOQHH-RUZDIDTESA-N 0 0 440.587 5.559 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000046891409 557513085 /nfs/dbraw/zinc/51/30/85/557513085.db2.gz YALJPFVRCGQXAJ-NWDGAFQWSA-N 0 0 425.278 5.149 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000003223574 557523469 /nfs/dbraw/zinc/52/34/69/557523469.db2.gz RKWVKGJLVJIACN-IWIPYMOSSA-N 0 0 426.516 5.256 50 0 IKAARN O=C(c1ccsc1)N1CCC[C@@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 ZINC000012039718 557525132 /nfs/dbraw/zinc/52/51/32/557525132.db2.gz LLQJQIGWLGUYGU-GOSISDBHSA-N 0 0 444.535 5.426 50 0 IKAARN CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(C)cc1 ZINC000012062869 557525824 /nfs/dbraw/zinc/52/58/24/557525824.db2.gz JFDUOHBJNOPROX-FOCLMDBBSA-N 0 0 426.453 5.657 50 0 IKAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000012062895 557525855 /nfs/dbraw/zinc/52/58/55/557525855.db2.gz QXYGZTUNXPZILA-DEOSSOPVSA-N 0 0 449.547 5.490 50 0 IKAARN Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)c1 ZINC000012062364 557525932 /nfs/dbraw/zinc/52/59/32/557525932.db2.gz WONILAHBWRWIEP-UHFFFAOYSA-N 0 0 425.598 5.161 50 0 IKAARN Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1 ZINC000012062288 557526331 /nfs/dbraw/zinc/52/63/31/557526331.db2.gz ZLTGRIXAPFZFEL-UHFFFAOYSA-N 0 0 437.609 5.083 50 0 IKAARN CC1CCN(C(=O)Cn2c3ccccc3nc2SCCOc2ccccc2Cl)CC1 ZINC000012062275 557526389 /nfs/dbraw/zinc/52/63/89/557526389.db2.gz UVYYJAUVFBGBLH-UHFFFAOYSA-N 0 0 444.000 5.119 50 0 IKAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc2ccccc2[nH]c1=O ZINC000012072509 557526958 /nfs/dbraw/zinc/52/69/58/557526958.db2.gz VXJXYIRODCIZHL-NDEPHWFRSA-N 0 0 449.554 5.556 50 0 IKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)c2)n1 ZINC000012090035 557527737 /nfs/dbraw/zinc/52/77/37/557527737.db2.gz XNYOTCAIDBGHQW-HNNXBMFYSA-N 0 0 442.313 5.054 50 0 IKAARN C[C@@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 ZINC000106341925 557528283 /nfs/dbraw/zinc/52/82/83/557528283.db2.gz USEVJXUDAHBZHA-ZLUZWTFRSA-N 0 0 430.342 5.150 50 0 IKAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[C@@H](Cc3ccccc3)C[C@@H]12 ZINC000025184678 557529128 /nfs/dbraw/zinc/52/91/28/557529128.db2.gz ZRJAPVMBHCFTAR-PDVBFRJSSA-N 0 0 449.598 5.788 50 0 IKAARN Cc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(Cl)c2)cc1 ZINC000003168667 557531852 /nfs/dbraw/zinc/53/18/52/557531852.db2.gz FOGLSFBLUZLLJS-OAQYLSRUSA-N 0 0 428.757 6.837 50 0 IKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])[C@H]1C ZINC000106886148 557532985 /nfs/dbraw/zinc/53/29/85/557532985.db2.gz TZYIHUYEHUQDFT-VVBPWWLESA-N 0 0 442.962 6.095 50 0 IKAARN CCO[C@@H]1C[C@H](O)C12CCN([C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000106916151 557533578 /nfs/dbraw/zinc/53/35/78/557533578.db2.gz MCJLBIKREMNEHK-OAUYIBNBSA-N 0 0 425.413 5.037 50 0 IKAARN CCCCCC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000106937324 557534010 /nfs/dbraw/zinc/53/40/10/557534010.db2.gz ADHFDROAWBZRKA-GGAORHGYSA-N 0 0 427.386 6.679 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000106937320 557534015 /nfs/dbraw/zinc/53/40/15/557534015.db2.gz PLPOQLSFCNESQK-ZJSXRUAMSA-N 0 0 447.332 5.510 50 0 IKAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000211131798 557534353 /nfs/dbraw/zinc/53/43/53/557534353.db2.gz QQCCGOCMWODYJO-UHFFFAOYSA-N 0 0 425.517 5.611 50 0 IKAARN Cc1ccccc1CSc1nc2n(n1)[C@H](CC(C)C)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 ZINC000107173586 557535010 /nfs/dbraw/zinc/53/50/10/557535010.db2.gz ZCKMQPYCNDOJTK-QIJUGHKUSA-N 0 0 449.624 5.535 50 0 IKAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000044803534 557537040 /nfs/dbraw/zinc/53/70/40/557537040.db2.gz LSBDJKJFJGNFFS-CQSZACIVSA-N 0 0 445.350 5.190 50 0 IKAARN CCc1c(C)c(C(=O)N2CCN(c3ccccc3C)CC2)n(Cc2ccccc2F)c1C ZINC000044854666 557537648 /nfs/dbraw/zinc/53/76/48/557537648.db2.gz WQQNCRZZOWFRQW-UHFFFAOYSA-N 0 0 433.571 5.126 50 0 IKAARN CCc1c(C)c(C(=O)N2CCN(c3ccccc3C)CC2)n(Cc2cccc(C)c2)c1C ZINC000044854673 557537748 /nfs/dbraw/zinc/53/77/48/557537748.db2.gz IAAAMDMQIDAWQT-UHFFFAOYSA-N 0 0 429.608 5.295 50 0 IKAARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(C(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000044859754 557538588 /nfs/dbraw/zinc/53/85/88/557538588.db2.gz GDDADAFPIWWYRB-RUZDIDTESA-N 0 0 429.564 6.325 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c(Br)c1 ZINC000044837526 557538872 /nfs/dbraw/zinc/53/88/72/557538872.db2.gz ZAPZFSXUEDNYTG-UHFFFAOYSA-N 0 0 435.119 5.162 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837538 557538879 /nfs/dbraw/zinc/53/88/79/557538879.db2.gz SHEGWWJTAUCCFQ-UHFFFAOYSA-N 0 0 444.638 5.764 50 0 IKAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1Cl ZINC000044918275 557540669 /nfs/dbraw/zinc/54/06/69/557540669.db2.gz KHILFAOWOHQRJF-KRWDZBQOSA-N 0 0 445.306 5.175 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000045354931 557543341 /nfs/dbraw/zinc/54/33/41/557543341.db2.gz PTXGEODUUUCREM-UHFFFAOYSA-N 0 0 444.922 5.463 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@H]1C ZINC000108861679 557543756 /nfs/dbraw/zinc/54/37/56/557543756.db2.gz XQQRZJNAYJNLCY-QYZOEREBSA-N 0 0 438.593 5.164 50 0 IKAARN COc1cc(/C=C\C(=O)N2CCC[C@@H]3CCC[C@H](C)[C@@H]32)ccc1OCc1c(C)noc1C ZINC000109048115 557545704 /nfs/dbraw/zinc/54/57/04/557545704.db2.gz SWKLBDWPNPBGNR-LKIAIUOOSA-N 0 0 438.568 5.319 50 0 IKAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)o2)n1 ZINC000045901778 557546766 /nfs/dbraw/zinc/54/67/66/557546766.db2.gz IXTDNVBBLNEPBM-UHFFFAOYSA-N 0 0 439.519 5.055 50 0 IKAARN Cc1cccc(Sc2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)c1 ZINC000045921661 557547522 /nfs/dbraw/zinc/54/75/22/557547522.db2.gz RTMKTVWBUFUOLL-UHFFFAOYSA-N 0 0 436.625 5.159 50 0 IKAARN Cc1cccc(Sc2ccc(N3CCC(C(=O)NCc4ccc(C)c(C)c4)CC3)nn2)c1 ZINC000045921689 557547595 /nfs/dbraw/zinc/54/75/95/557547595.db2.gz FDDVDYPMQCFENN-UHFFFAOYSA-N 0 0 446.620 5.086 50 0 IKAARN Cc1ccc(Cn2c(=O)c3sc4ncccc4c3nc2SCc2cccc(F)c2)cc1 ZINC000045924320 557547813 /nfs/dbraw/zinc/54/78/13/557547813.db2.gz HCHHANVBPFKZBZ-UHFFFAOYSA-N 0 0 447.560 5.794 50 0 IKAARN CC(C)Cn1c2nnc(SCc3cccc(C(F)(F)F)c3)n2c2ccsc2c1=O ZINC000045924387 557549584 /nfs/dbraw/zinc/54/95/84/557549584.db2.gz MNIOHGZOJXRMPP-UHFFFAOYSA-N 0 0 438.500 5.073 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000045924681 557549830 /nfs/dbraw/zinc/54/98/30/557549830.db2.gz YTPMGNWGFSGSDK-UHFFFAOYSA-N 0 0 437.952 5.991 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045928288 557550321 /nfs/dbraw/zinc/55/03/21/557550321.db2.gz KSEKDCTZPQFWIT-JOCHJYFZSA-N 0 0 440.326 6.055 50 0 IKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)C1c1ccc(Cl)cc1 ZINC000045928392 557550349 /nfs/dbraw/zinc/55/03/49/557550349.db2.gz LEGPERMATMQHKT-NRFANRHFSA-N 0 0 428.290 6.185 50 0 IKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)C1c1ccc(Cl)cc1 ZINC000045928389 557550399 /nfs/dbraw/zinc/55/03/99/557550399.db2.gz LEGPERMATMQHKT-OAQYLSRUSA-N 0 0 428.290 6.185 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000045929820 557550542 /nfs/dbraw/zinc/55/05/42/557550542.db2.gz XOOYDICDJURKRK-UHFFFAOYSA-N 0 0 430.533 5.975 50 0 IKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1 ZINC000045928412 557550544 /nfs/dbraw/zinc/55/05/44/557550544.db2.gz OQTMADMXDUJKPH-NRFANRHFSA-N 0 0 444.745 6.700 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045928431 557550550 /nfs/dbraw/zinc/55/05/50/557550550.db2.gz LQSGPVBFGNXRIR-JOCHJYFZSA-N 0 0 439.939 6.254 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@H]2c2ccc(F)c(Cl)c2)cc1 ZINC000045928523 557550556 /nfs/dbraw/zinc/55/05/56/557550556.db2.gz JPBBZGHSTWLSCA-JOCHJYFZSA-N 0 0 441.861 5.680 50 0 IKAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2F)C1c1ccc(Cl)cc1 ZINC000045928440 557550565 /nfs/dbraw/zinc/55/05/65/557550565.db2.gz NUFRACOTWYKITP-QFIPXVFZSA-N 0 0 437.854 5.261 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045928434 557550577 /nfs/dbraw/zinc/55/05/77/557550577.db2.gz LQSGPVBFGNXRIR-QFIPXVFZSA-N 0 0 439.939 6.254 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941499 557551015 /nfs/dbraw/zinc/55/10/15/557551015.db2.gz FOARJCBKELRYME-AREMUKBSSA-N 0 0 427.544 6.180 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941505 557551023 /nfs/dbraw/zinc/55/10/23/557551023.db2.gz WYCNGIMLUPCNIQ-SANMLTNESA-N 0 0 443.543 5.880 50 0 IKAARN CCc1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941526 557551040 /nfs/dbraw/zinc/55/10/40/557551040.db2.gz RQOGXESTLDCSMV-RUZDIDTESA-N 0 0 429.516 5.319 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941434 557551105 /nfs/dbraw/zinc/55/11/05/557551105.db2.gz XDRFVXCGUHXNIL-SANMLTNESA-N 0 0 443.543 5.880 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000045941816 557551280 /nfs/dbraw/zinc/55/12/80/557551280.db2.gz KOADRTFPAJZTTI-SANMLTNESA-N 0 0 443.543 5.416 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941650 557551316 /nfs/dbraw/zinc/55/13/16/557551316.db2.gz DUUGSLVZOURRKD-AREMUKBSSA-N 0 0 443.543 5.880 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1OC ZINC000045941805 557551346 /nfs/dbraw/zinc/55/13/46/557551346.db2.gz KJMIWUINGLPXAF-VWLOTQADSA-N 0 0 429.516 5.108 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000045941811 557551358 /nfs/dbraw/zinc/55/13/58/557551358.db2.gz YAFMMIXXNDIKJB-RUZDIDTESA-N 0 0 429.516 5.108 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1OC ZINC000045941842 557551458 /nfs/dbraw/zinc/55/14/58/557551458.db2.gz SBXCDBATXWXEGU-VWLOTQADSA-N 0 0 447.506 5.247 50 0 IKAARN CCc1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(SC)cc2)cc1 ZINC000045942235 557551759 /nfs/dbraw/zinc/55/17/59/557551759.db2.gz QCRYSBVSLUOTEA-VWLOTQADSA-N 0 0 445.584 6.032 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942199 557551765 /nfs/dbraw/zinc/55/17/65/557551765.db2.gz NQWFRJJSUNLDLN-VWLOTQADSA-N 0 0 429.585 6.585 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)c(OC)c1 ZINC000045942137 557551775 /nfs/dbraw/zinc/55/17/75/557551775.db2.gz AALPHYFINLBOPO-AREMUKBSSA-N 0 0 443.543 5.880 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045942492 557551908 /nfs/dbraw/zinc/55/19/08/557551908.db2.gz AJWOFDLCFYBCCT-NRFANRHFSA-N 0 0 438.296 5.954 50 0 IKAARN CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000045943209 557552186 /nfs/dbraw/zinc/55/21/86/557552186.db2.gz MKLOSCSHSPFPGE-UHFFFAOYSA-N 0 0 433.327 5.234 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)NCc1ccccc1Cl ZINC000045943250 557552316 /nfs/dbraw/zinc/55/23/16/557552316.db2.gz SDDOBTLMAOGMKD-UHFFFAOYSA-N 0 0 437.746 5.166 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)c(F)c1 ZINC000045943225 557552317 /nfs/dbraw/zinc/55/23/17/557552317.db2.gz YNRLENARTRYBLQ-UHFFFAOYSA-N 0 0 425.254 5.113 50 0 IKAARN O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1cc(F)ccc1F ZINC000045943368 557552363 /nfs/dbraw/zinc/55/23/63/557552363.db2.gz HSQYEUJOEYINDX-UHFFFAOYSA-N 0 0 425.254 5.113 50 0 IKAARN CC(C)OCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943942 557552594 /nfs/dbraw/zinc/55/25/94/557552594.db2.gz SVYOZGZIAJKFQG-UHFFFAOYSA-N 0 0 438.980 6.315 50 0 IKAARN O=C(NCCc1ccccc1)c1sc2c(cnc3ccc(F)cc23)c1-c1ccccc1 ZINC000045943904 557552651 /nfs/dbraw/zinc/55/26/51/557552651.db2.gz RHABJGACCUZEJT-UHFFFAOYSA-N 0 0 426.516 6.228 50 0 IKAARN O=C(NCCC1=CCCCC1)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000045943864 557552660 /nfs/dbraw/zinc/55/26/60/557552660.db2.gz IFBYVBONUFCVDJ-UHFFFAOYSA-N 0 0 447.003 7.390 50 0 IKAARN COc1ccc2ncc3c(sc(C(=O)NCCCOC(C)C)c3-c3ccccc3)c2c1 ZINC000045944034 557552812 /nfs/dbraw/zinc/55/28/12/557552812.db2.gz LBWAHPGTSQJFRZ-UHFFFAOYSA-N 0 0 434.561 5.670 50 0 IKAARN CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000045944007 557552888 /nfs/dbraw/zinc/55/28/88/557552888.db2.gz IPKWOYRUZBCBLB-GOSISDBHSA-N 0 0 434.536 5.727 50 0 IKAARN O=c1oc2ccccc2c(NCC2CCCCC2)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000045961103 557555065 /nfs/dbraw/zinc/55/50/65/557555065.db2.gz ZCHKMYKRGAORSX-UHFFFAOYSA-N 0 0 446.956 5.239 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000045962045 557557006 /nfs/dbraw/zinc/55/70/06/557557006.db2.gz XTHQEGUGLSSULE-UHFFFAOYSA-N 0 0 448.544 5.158 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000109407184 557557024 /nfs/dbraw/zinc/55/70/24/557557024.db2.gz XEUFMLYRJPTBAP-XPGWFJOJSA-N 0 0 434.433 5.257 50 0 IKAARN FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000038149571 557560083 /nfs/dbraw/zinc/56/00/83/557560083.db2.gz VTANGSDRFFLTSQ-UHFFFAOYSA-N 0 0 434.343 6.473 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(F)cc2)N2CCOCC2)c1C ZINC000038546081 557591147 /nfs/dbraw/zinc/59/11/47/557591147.db2.gz IHIVRLUVYDEFEJ-FQEVSTJZSA-N 0 0 430.570 5.239 50 0 IKAARN COc1ccc([C@@H](Nc2cccc(C)n2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547548 557591903 /nfs/dbraw/zinc/59/19/03/557591903.db2.gz MHMMWKPVCFEYNG-HSZRJFAPSA-N 0 0 447.560 6.124 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547742 557592106 /nfs/dbraw/zinc/59/21/06/557592106.db2.gz FQSQIVUVZFXUHF-JOCHJYFZSA-N 0 0 433.533 5.761 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2nc(C)cc(C)n2)c2ccccn2)c1C ZINC000038548133 557592248 /nfs/dbraw/zinc/59/22/48/557592248.db2.gz LFJRLOVDVXOWHJ-HXUWFJFHSA-N 0 0 433.537 5.214 50 0 IKAARN CC[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Br)cc1 ZINC000040032368 557682752 /nfs/dbraw/zinc/68/27/52/557682752.db2.gz ZLDVPMUTHZSHJV-KRWDZBQOSA-N 0 0 449.295 5.582 50 0 IKAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3Br)n2)cn1 ZINC000040288109 557716446 /nfs/dbraw/zinc/71/64/46/557716446.db2.gz GPZRBJCETVPTFZ-UHFFFAOYSA-N 0 0 435.281 5.122 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)N(C)c4ccccc4)cs3)cc2)c1 ZINC000040425326 557725905 /nfs/dbraw/zinc/72/59/05/557725905.db2.gz QLLUURGCPUHFNF-UHFFFAOYSA-N 0 0 430.529 5.674 50 0 IKAARN CN(C)c1cccc(C2=NN(C(=S)NCc3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000225496394 557730169 /nfs/dbraw/zinc/73/01/69/557730169.db2.gz JOJGPULOUJCMJZ-DEOSSOPVSA-N 0 0 449.023 5.632 50 0 IKAARN COc1ccccc1C1(F)CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000225499166 557730736 /nfs/dbraw/zinc/73/07/36/557730736.db2.gz UHSFTBJESNHZLZ-UHFFFAOYSA-N 0 0 441.506 5.406 50 0 IKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3cnc4ccccc4n3)C2)cc1 ZINC000225508022 557731940 /nfs/dbraw/zinc/73/19/40/557731940.db2.gz OXBUKYWIJPVXNL-DEOSSOPVSA-N 0 0 439.544 5.187 50 0 IKAARN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Cc3cccc(Cl)c3)C2)n1 ZINC000225565549 557743194 /nfs/dbraw/zinc/74/31/94/557743194.db2.gz HLPLTTNSFDMSSW-KRWDZBQOSA-N 0 0 426.969 5.421 50 0 IKAARN CC(C)(C)OC(=O)NC1(c2noc([C@H]3CCCCN3Cc3ccccc3)n2)CCCC1 ZINC000225630760 557754393 /nfs/dbraw/zinc/75/43/93/557754393.db2.gz LTXQVPIYGIREEN-LJQANCHMSA-N 0 0 426.561 5.091 50 0 IKAARN COCCc1cc(Br)cc(Br)c1NC(=O)N1CCCCCCC1 ZINC000225739145 557770847 /nfs/dbraw/zinc/77/08/47/557770847.db2.gz DQVSQOLDBJRQLB-UHFFFAOYSA-N 0 0 448.199 5.199 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2)C[C@H]1c1ccccn1 ZINC000225781377 557777383 /nfs/dbraw/zinc/77/73/83/557777383.db2.gz QSXQVBGTBXVONN-QFIPXVFZSA-N 0 0 442.906 5.353 50 0 IKAARN Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Br ZINC000030768715 557782415 /nfs/dbraw/zinc/78/24/15/557782415.db2.gz KOEOPXYFEWORKG-UHFFFAOYSA-N 0 0 430.367 5.149 50 0 IKAARN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000032690927 557806120 /nfs/dbraw/zinc/80/61/20/557806120.db2.gz WIXCDLDUYVVUOU-KBNZVFGVSA-N 0 0 448.717 8.505 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000226826006 557809442 /nfs/dbraw/zinc/80/94/42/557809442.db2.gz UNPWUJZCWFCHDA-DNVJHFABSA-N 0 0 432.907 5.008 50 0 IKAARN CCc1nc2cc(NC(=O)c3cc(Br)c(Br)s3)ccc2o1 ZINC000058406548 557812617 /nfs/dbraw/zinc/81/26/17/557812617.db2.gz RNTDSEAQSOAHFS-UHFFFAOYSA-N 0 0 430.121 5.229 50 0 IKAARN Cc1ccccc1-c1c(C)oc2c(C)c(OCc3c(Cl)cccc3Cl)ccc2c1=O ZINC000024986313 557828866 /nfs/dbraw/zinc/82/88/66/557828866.db2.gz JBFCSMFOPPQRDY-UHFFFAOYSA-N 0 0 439.338 7.271 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000847194 557829376 /nfs/dbraw/zinc/82/93/76/557829376.db2.gz CYJAHYGPLXZHEO-UHFFFAOYSA-N 0 0 448.309 7.049 50 0 IKAARN O=C(COc1ccccc1Cl)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000000849957 557829520 /nfs/dbraw/zinc/82/95/20/557829520.db2.gz OFZZWJUTNYYBAY-UHFFFAOYSA-N 0 0 439.792 6.308 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000024989316 557830032 /nfs/dbraw/zinc/83/00/32/557830032.db2.gz LVDAWLAROUVQHG-OAHLLOKOSA-N 0 0 444.409 5.501 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccco1 ZINC000000850259 557830649 /nfs/dbraw/zinc/83/06/49/557830649.db2.gz ZQRZSTCSTHPOHO-UHFFFAOYSA-N 0 0 432.501 5.830 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccccc2)n1C(=O)c1ccccc1 ZINC000000850373 557830650 /nfs/dbraw/zinc/83/06/50/557830650.db2.gz QGKRFQLYUVFCKG-UHFFFAOYSA-N 0 0 441.556 5.586 50 0 IKAARN FC(F)(F)COc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000000850711 557830825 /nfs/dbraw/zinc/83/08/25/557830825.db2.gz WMEVMERLBINEAS-UHFFFAOYSA-N 0 0 444.335 5.224 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000000856840 557831427 /nfs/dbraw/zinc/83/14/27/557831427.db2.gz RMBQATLXSBUNCR-ZEQRLZLVSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN Cc1ccc2oc(-c3ccc(C(=O)Nc4ccc(NC(=O)C(C)(C)C)cc4)cc3)nc2c1 ZINC000000857595 557831593 /nfs/dbraw/zinc/83/15/93/557831593.db2.gz JGXDHQZWUZQJIC-UHFFFAOYSA-N 0 0 427.504 6.040 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@@H]2CCCC[C@@H]12 ZINC000229911609 557833925 /nfs/dbraw/zinc/83/39/25/557833925.db2.gz QANJKHRCIWLGFM-APOUVHJUSA-N 0 0 446.517 5.584 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H]2CCCC[C@@H]12 ZINC000229911627 557833982 /nfs/dbraw/zinc/83/39/82/557833982.db2.gz QANJKHRCIWLGFM-WPLSPGFVSA-N 0 0 446.517 5.584 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccc(Br)c2)N[C@@H]1c1cccc(Br)c1 ZINC000229937296 557834175 /nfs/dbraw/zinc/83/41/75/557834175.db2.gz QLAGUGWBFPPFDV-KZBLUPIWSA-N 0 0 437.175 5.439 50 0 IKAARN O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccccc1 ZINC000013645360 557836359 /nfs/dbraw/zinc/83/63/59/557836359.db2.gz FWDPHRPQKVGFJL-QXTIUPHPSA-N 0 0 446.506 5.060 50 0 IKAARN CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000000865629 557839496 /nfs/dbraw/zinc/83/94/96/557839496.db2.gz YCRMEZZFHQVJSC-IAGOWNOFSA-N 0 0 448.876 6.012 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000866508 557839736 /nfs/dbraw/zinc/83/97/36/557839736.db2.gz GUUVTSIIXBWRTG-GDBMZVCRSA-N 0 0 440.878 5.819 50 0 IKAARN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCCC1 ZINC000000867006 557839911 /nfs/dbraw/zinc/83/99/11/557839911.db2.gz PBXZJTCEKAJLNC-CABCVRRESA-N 0 0 444.860 5.352 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000000867630 557839952 /nfs/dbraw/zinc/83/99/52/557839952.db2.gz OSLNNWRLLOWKKV-KRWDZBQOSA-N 0 0 440.528 5.800 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3N2)cc1 ZINC000000867066 557839976 /nfs/dbraw/zinc/83/99/76/557839976.db2.gz JMBKGCIXLDMDLN-GJZGRUSLSA-N 0 0 426.870 5.131 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3N2)cc1 ZINC000000867068 557839978 /nfs/dbraw/zinc/83/99/78/557839978.db2.gz JMBKGCIXLDMDLN-LSDHHAIUSA-N 0 0 426.870 5.131 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Br)cc2)c2ccco2)cc1 ZINC000000868793 557840207 /nfs/dbraw/zinc/84/02/07/557840207.db2.gz ATGYVSWQBDXTNE-HXUWFJFHSA-N 0 0 433.323 5.139 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000018587213 557840986 /nfs/dbraw/zinc/84/09/86/557840986.db2.gz VVKPJIIRWXPSRM-NSHDSACASA-N 0 0 425.863 5.730 50 0 IKAARN Cc1ccccc1[C@@]1(c2ccccc2)OC(=O)[C@@](c2ccccc2)(c2ccccc2C)OC1=O ZINC000003080922 557842187 /nfs/dbraw/zinc/84/21/87/557842187.db2.gz NSFZKXVDYVHTBV-LOYHVIPDSA-N 0 0 448.518 5.591 50 0 IKAARN Cc1ccccc1[C@]1(c2ccccc2)OC(=O)[C@](c2ccccc2)(c2ccccc2C)OC1=O ZINC000003080923 557842228 /nfs/dbraw/zinc/84/22/28/557842228.db2.gz NSFZKXVDYVHTBV-KYJUHHDHSA-N 0 0 448.518 5.591 50 0 IKAARN O=C(c1ccccc1)N(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000003130598 557842244 /nfs/dbraw/zinc/84/22/44/557842244.db2.gz NDENNENGBSSEAW-UHFFFAOYSA-N 0 0 431.127 6.190 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 ZINC000000874214 557847974 /nfs/dbraw/zinc/84/79/74/557847974.db2.gz VPDATQDGTMIPBX-SFHVURJKSA-N 0 0 429.549 5.065 50 0 IKAARN O=C(CSc1nnc(COc2cccc3ccccc32)o1)Nc1cccc(Cl)c1 ZINC000000877680 557848435 /nfs/dbraw/zinc/84/84/35/557848435.db2.gz ZRBFROSONZDSNH-UHFFFAOYSA-N 0 0 425.897 5.186 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000000877670 557848436 /nfs/dbraw/zinc/84/84/36/557848436.db2.gz NWLYTWAQVQDUBY-UHFFFAOYSA-N 0 0 428.989 5.474 50 0 IKAARN Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000000878135 557848696 /nfs/dbraw/zinc/84/86/96/557848696.db2.gz WWWACNAXBQEQOI-LJQANCHMSA-N 0 0 444.560 5.274 50 0 IKAARN 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 ZINC000003872859 557852292 /nfs/dbraw/zinc/85/22/92/557852292.db2.gz DOMWKUIIPQCAJU-KGLQBNQBSA-N 0 0 428.613 5.970 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c1 ZINC000000890880 557859126 /nfs/dbraw/zinc/85/91/26/557859126.db2.gz HKBYGDVXGBEOCV-UHFFFAOYSA-N 0 0 449.429 5.235 50 0 IKAARN CC[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 ZINC000000890635 557859137 /nfs/dbraw/zinc/85/91/37/557859137.db2.gz XNZKOXSLLCUTPF-HNNXBMFYSA-N 0 0 439.503 5.054 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1sc3cc(C)ccc3c1Cl)COCC2 ZINC000000892380 557860493 /nfs/dbraw/zinc/86/04/93/557860493.db2.gz DMHUIROZJBPOLC-UHFFFAOYSA-N 0 0 435.954 5.426 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000018832844 557862143 /nfs/dbraw/zinc/86/21/43/557862143.db2.gz VXDVBRDSBYALPR-UHFFFAOYSA-N 0 0 447.922 6.235 50 0 IKAARN Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000001004141 562920048 /nfs/dbraw/zinc/92/00/48/562920048.db2.gz KXIHLSXESJZGGI-UHFFFAOYSA-N 0 0 434.542 5.138 50 0 IKAARN Cc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3Br)n2)cc1 ZINC000001117450 562920481 /nfs/dbraw/zinc/92/04/81/562920481.db2.gz OKJQLKIJQBMLBI-UHFFFAOYSA-N 0 0 432.368 5.008 50 0 IKAARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(F)cc2)n1 ZINC000001383656 562921498 /nfs/dbraw/zinc/92/14/98/562921498.db2.gz SWYBCDWOHYZYQB-INIZCTEOSA-N 0 0 440.471 5.205 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000001388252 562921568 /nfs/dbraw/zinc/92/15/68/562921568.db2.gz KWFQHVZSSDYKRH-UHFFFAOYSA-N 0 0 436.316 5.057 50 0 IKAARN Cc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccc(Cl)cc2Cl)n1 ZINC000001392265 562921637 /nfs/dbraw/zinc/92/16/37/562921637.db2.gz SVUZFZUSRNJFGG-UHFFFAOYSA-N 0 0 425.362 5.217 50 0 IKAARN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000001394761 562921649 /nfs/dbraw/zinc/92/16/49/562921649.db2.gz FUHDJKFDADFEJZ-UHFFFAOYSA-N 0 0 443.912 5.073 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)cc1Cl ZINC000001402866 562921703 /nfs/dbraw/zinc/92/17/03/562921703.db2.gz KXQAMZHBIPOVCW-UHFFFAOYSA-N 0 0 442.327 5.345 50 0 IKAARN Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000001405184 562921768 /nfs/dbraw/zinc/92/17/68/562921768.db2.gz MQXBEGVGQLPUGF-UHFFFAOYSA-N 0 0 447.215 5.585 50 0 IKAARN Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000001430346 562921889 /nfs/dbraw/zinc/92/18/89/562921889.db2.gz MSQVQQLQHKMQJJ-SFHVURJKSA-N 0 0 433.914 5.706 50 0 IKAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000001442214 562921928 /nfs/dbraw/zinc/92/19/28/562921928.db2.gz YSFBEDVZXTXQEY-FMIVXFBMSA-N 0 0 432.501 5.130 50 0 IKAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000001773511 562924633 /nfs/dbraw/zinc/92/46/33/562924633.db2.gz PGDGYRMWDRBIMQ-MRXNPFEDSA-N 0 0 443.609 5.755 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccccc1F ZINC000002030558 562925602 /nfs/dbraw/zinc/92/56/02/562925602.db2.gz RUHUFAPDXTZTPE-UHFFFAOYSA-N 0 0 432.676 5.725 50 0 IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000002098899 562925764 /nfs/dbraw/zinc/92/57/64/562925764.db2.gz RZOUREKDXICEDP-UHFFFAOYSA-N 0 0 434.875 5.958 50 0 biogenic IKAARN Cc1cc(C)nc(S[C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n1 ZINC000002232500 562926499 /nfs/dbraw/zinc/92/64/99/562926499.db2.gz FBSDGWKMSGQFEF-GOTSBHOMSA-N 0 0 447.585 5.113 50 0 IKAARN Cn1c2ccccc2c(Sc2ccccc2)c1CC(=O)Nc1ccccc1C(F)(F)F ZINC000002381840 562927332 /nfs/dbraw/zinc/92/73/32/562927332.db2.gz KOJGNAATMNZQPI-UHFFFAOYSA-N 0 0 440.490 6.530 50 0 IKAARN CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000002415427 562927557 /nfs/dbraw/zinc/92/75/57/562927557.db2.gz KCJYQLGUHSFDIF-NFQMXDRXSA-N 0 0 430.312 5.717 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000002582365 562928343 /nfs/dbraw/zinc/92/83/43/562928343.db2.gz MCKTXDVMKJMWKM-UHFFFAOYSA-N 0 0 426.769 5.504 50 0 IKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(F)cc3F)c2c1C ZINC000002653814 562929400 /nfs/dbraw/zinc/92/94/00/562929400.db2.gz CFLPPHIHMQIXJM-UHFFFAOYSA-N 0 0 427.501 5.990 50 0 aggregator IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2cccs2)c1 ZINC000002722430 562930004 /nfs/dbraw/zinc/93/00/04/562930004.db2.gz FNNSJXWEFTXZSZ-UHFFFAOYSA-N 0 0 449.645 6.297 50 0 aggregator IKAARN COC(=O)c1ccc(COC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000002875818 562930341 /nfs/dbraw/zinc/93/03/41/562930341.db2.gz VMLJGLLMGNKSJR-UHFFFAOYSA-N 0 0 441.483 5.471 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc3c(c2)ncn3-c2ccc(C(C)C)cc2)cc1OC ZINC000002926212 562930614 /nfs/dbraw/zinc/93/06/14/562930614.db2.gz PSWRDNRPISSSHO-UHFFFAOYSA-N 0 0 443.547 5.139 50 0 IKAARN COc1ccc(Br)cc1CNC(=O)CCSCc1ccc(Cl)cc1 ZINC000002944151 562931034 /nfs/dbraw/zinc/93/10/34/562931034.db2.gz DSCJBVXIVCWVNT-UHFFFAOYSA-N 0 0 428.779 5.051 50 0 IKAARN Cc1ccc(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c(Cl)c1 ZINC000002948289 562931054 /nfs/dbraw/zinc/93/10/54/562931054.db2.gz FHVXWUJOQUQCRC-UHFFFAOYSA-N 0 0 436.968 5.497 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000002948451 562931056 /nfs/dbraw/zinc/93/10/56/562931056.db2.gz LBTMZGMAXORZRD-SFHVURJKSA-N 0 0 428.557 6.276 50 0 IKAARN CN(C)c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002974760 562931470 /nfs/dbraw/zinc/93/14/70/562931470.db2.gz UBJLTAPCALGKPX-UHFFFAOYSA-N 0 0 439.950 6.551 50 0 IKAARN CCCCNC(=O)[C@H](CC)Sc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000003033861 562931979 /nfs/dbraw/zinc/93/19/79/562931979.db2.gz LXTMOTFDGPSMPW-NRFANRHFSA-N 0 0 434.609 5.609 50 0 IKAARN O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003050054 562932256 /nfs/dbraw/zinc/93/22/56/562932256.db2.gz FMCZXZBEFPHNTI-UHFFFAOYSA-N 0 0 446.547 5.810 50 0 aggregator IKAARN O=C(Nc1ccc(F)cc1F)c1sccc1SCc1cccc(C(F)(F)F)c1 ZINC000003104164 562932522 /nfs/dbraw/zinc/93/25/22/562932522.db2.gz DEUPVSDQFUWNLD-UHFFFAOYSA-N 0 0 429.435 6.590 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)s1 ZINC000003203431 562932717 /nfs/dbraw/zinc/93/27/17/562932717.db2.gz UGWCZROVQJHDFH-UHFFFAOYSA-N 0 0 445.953 5.539 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 ZINC000003268897 562933560 /nfs/dbraw/zinc/93/35/60/562933560.db2.gz SWMYCWBVTBITJA-UHFFFAOYSA-N 0 0 444.556 5.884 50 0 IKAARN CC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)cc1 ZINC000003280207 562933696 /nfs/dbraw/zinc/93/36/96/562933696.db2.gz JWCRRTRVAWGRSH-UHFFFAOYSA-N 0 0 438.409 5.255 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1ncnc2ccccc21)c1ccccc1 ZINC000003294949 562933822 /nfs/dbraw/zinc/93/38/22/562933822.db2.gz XAOBNIVASVUCLT-HXUWFJFHSA-N 0 0 439.462 6.121 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1ncnc2ccccc21)c1ccccc1 ZINC000003294947 562933832 /nfs/dbraw/zinc/93/38/32/562933832.db2.gz XAOBNIVASVUCLT-FQEVSTJZSA-N 0 0 439.462 6.121 50 0 IKAARN CC(C)c1ccc(NC(=O)COc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 ZINC000003324366 562934228 /nfs/dbraw/zinc/93/42/28/562934228.db2.gz LLYZZKDCSDPJEI-UHFFFAOYSA-N 0 0 436.562 5.470 50 0 IKAARN COc1cc2c(cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)oc1ccccc12 ZINC000003327619 562934294 /nfs/dbraw/zinc/93/42/94/562934294.db2.gz DJTRTKBBRWJJSH-MDZDMXLPSA-N 0 0 433.460 5.272 50 0 aggregator IKAARN FC(F)(F)c1cnc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(Cl)c1 ZINC000003339008 562934432 /nfs/dbraw/zinc/93/44/32/562934432.db2.gz ZLNBTOKSNFPADP-NSHDSACASA-N 0 0 446.907 5.404 50 0 IKAARN Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000003414100 562935382 /nfs/dbraw/zinc/93/53/82/562935382.db2.gz MNRIGMWPKGEKLN-UHFFFAOYSA-N 0 0 425.535 5.565 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1 ZINC000003417983 562935476 /nfs/dbraw/zinc/93/54/76/562935476.db2.gz BALGLXVDJIQVRU-UHFFFAOYSA-N 0 0 430.529 5.198 50 0 aggregator IKAARN c1nnc(-c2ccc(Oc3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)cc2)o1 ZINC000003446427 562935954 /nfs/dbraw/zinc/93/59/54/562935954.db2.gz AFVJVSLUFOZAOY-UHFFFAOYSA-N 0 0 427.489 5.474 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1)N1CCCC1 ZINC000003483265 562936237 /nfs/dbraw/zinc/93/62/37/562936237.db2.gz FTWKFAMDBZRZNT-UHFFFAOYSA-N 0 0 439.412 5.472 50 0 IKAARN Cc1ccc(-n2nnnc2S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000003498587 562936289 /nfs/dbraw/zinc/93/62/89/562936289.db2.gz PWJWHVAZLXMVNG-HSZRJFAPSA-N 0 0 425.517 5.168 50 0 aggregator IKAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1cn(C)c3ccccc13)CCC2 ZINC000003581803 562936503 /nfs/dbraw/zinc/93/65/03/562936503.db2.gz MOPWGVGTACZIBN-ZDUSSCGKSA-N 0 0 428.579 5.025 50 0 aggregator IKAARN COc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)Cc2cccs2)cc1 ZINC000003615594 562936775 /nfs/dbraw/zinc/93/67/75/562936775.db2.gz BKBWNZKCBLFZRW-DEOSSOPVSA-N 0 0 436.577 5.261 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000003643659 562937334 /nfs/dbraw/zinc/93/73/34/562937334.db2.gz PVDKVADTGCHNJX-IBGZPJMESA-N 0 0 431.517 5.000 50 0 IKAARN Cc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1C ZINC000003655524 562937468 /nfs/dbraw/zinc/93/74/68/562937468.db2.gz JFRKBZZWKBYRAR-UHFFFAOYSA-N 0 0 433.891 5.952 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C ZINC000004004828 562940745 /nfs/dbraw/zinc/94/07/45/562940745.db2.gz HMDFUTVZBMXLPV-UHFFFAOYSA-N 0 0 443.894 5.574 50 0 IKAARN O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccc(F)cc1F ZINC000004195278 562942616 /nfs/dbraw/zinc/94/26/16/562942616.db2.gz HTLOASBYCXEVBP-UHFFFAOYSA-N 0 0 448.454 5.006 50 0 IKAARN Cc1cccc(C)c1NCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000006443467 562946652 /nfs/dbraw/zinc/94/66/52/562946652.db2.gz LEKPTYYMYWEEIB-UHFFFAOYSA-N 0 0 434.996 6.442 50 0 IKAARN OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)n1ccnc1 ZINC000008442143 562949401 /nfs/dbraw/zinc/94/94/01/562949401.db2.gz SHIHXAYCUFPIKZ-JOCHJYFZSA-N 0 0 443.761 6.369 50 0 IKAARN COc1ccc(OC)c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c1 ZINC000008583138 562949656 /nfs/dbraw/zinc/94/96/56/562949656.db2.gz WNRXKTYTENRNPT-KPKJPENVSA-N 0 0 436.870 5.366 50 0 IKAARN CSc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000008583160 562949756 /nfs/dbraw/zinc/94/97/56/562949756.db2.gz GZRWXGLIZSBRLS-NTEUORMPSA-N 0 0 438.549 5.613 50 0 IKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000008583667 562949828 /nfs/dbraw/zinc/94/98/28/562949828.db2.gz MXGUPFAMZNUIEZ-UHFFFAOYSA-N 0 0 444.453 5.722 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cc(C)ccc2C)CC1=O ZINC000008587118 562950192 /nfs/dbraw/zinc/95/01/92/562950192.db2.gz GRTRYBYFCXENDA-JOCHJYFZSA-N 0 0 433.596 5.628 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2C)CC1=O ZINC000008587096 562950234 /nfs/dbraw/zinc/95/02/34/562950234.db2.gz LPMICCDJBKPSOG-JOCHJYFZSA-N 0 0 433.596 5.628 50 0 IKAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n([C@H](C)C(=O)c2ccc(C)c(C)c2)c1=O ZINC000008587552 562950334 /nfs/dbraw/zinc/95/03/34/562950334.db2.gz PJTVCKXDSJFZCT-GOSISDBHSA-N 0 0 439.515 5.083 50 0 IKAARN CCN(c1nnc(NC(=O)Nc2ccc(Br)cc2F)s1)c1ccccc1 ZINC000008587648 562950377 /nfs/dbraw/zinc/95/03/77/562950377.db2.gz MIRFITXTOVOAIT-UHFFFAOYSA-N 0 0 436.310 5.242 50 0 IKAARN COC(=O)c1ccc(Cl)cc1NC(=O)NCc1c2c(sc1-n1cccc1)CCCC2 ZINC000008587707 562950384 /nfs/dbraw/zinc/95/03/84/562950384.db2.gz DEKXROMLYLGBSO-UHFFFAOYSA-N 0 0 443.956 5.179 50 0 IKAARN CCCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)cc1 ZINC000008587654 562950391 /nfs/dbraw/zinc/95/03/91/562950391.db2.gz MCDGQXFJXORWSF-UHFFFAOYSA-N 0 0 446.572 6.047 50 0 IKAARN Cc1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)c(Cl)c1 ZINC000008587838 562950455 /nfs/dbraw/zinc/95/04/55/562950455.db2.gz UNKSJZFTIUHPRS-UHFFFAOYSA-N 0 0 425.941 5.300 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4cc5cc(Cl)ccc5oc4=O)[nH]c(=O)c32)C1 ZINC000008588367 562950678 /nfs/dbraw/zinc/95/06/78/562950678.db2.gz GZDXYGUNKACNPQ-GFCCVEGCSA-N 0 0 440.952 5.562 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000008588555 562950727 /nfs/dbraw/zinc/95/07/27/562950727.db2.gz KNTTYDSOBRXAAO-UHFFFAOYSA-N 0 0 431.923 5.813 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCCc6ccccc65)cc4sc3n2)cc1 ZINC000008588615 562950740 /nfs/dbraw/zinc/95/07/40/562950740.db2.gz IFYIOCKACUFHCS-JOCHJYFZSA-N 0 0 437.568 6.332 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NCc5cccc(F)c5)cc4sc3n2)cc1 ZINC000008588714 562950794 /nfs/dbraw/zinc/95/07/94/562950794.db2.gz WICJDPYMQBZTGP-UHFFFAOYSA-N 0 0 431.492 5.294 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCCCc5ccccc5)cc4sc3n2)cc1 ZINC000008588721 562950797 /nfs/dbraw/zinc/95/07/97/562950797.db2.gz IPPYKCKYSGEAHP-UHFFFAOYSA-N 0 0 439.584 6.141 50 0 IKAARN COc1cccc(-c2cn3c4ccc(C(=O)NCCCc5ccccc5)cc4sc3n2)c1 ZINC000008588740 562950894 /nfs/dbraw/zinc/95/08/94/562950894.db2.gz CTKDXQWFTNEOBJ-UHFFFAOYSA-N 0 0 441.556 5.587 50 0 biogenic IKAARN CCc1nnc(SCc2nc(-c3cccc(C)c3)oc2C)c2cc3sc(C)cc3n21 ZINC000008588998 562950990 /nfs/dbraw/zinc/95/09/90/562950990.db2.gz BXJLNIDQTNAYIN-UHFFFAOYSA-N 0 0 434.590 6.379 50 0 IKAARN CCc1nnc(SCc2nc(-c3ccc(OC)cc3)oc2C)c2cc3sccc3n21 ZINC000008588996 562951019 /nfs/dbraw/zinc/95/10/19/562951019.db2.gz NPMLMLXKPAVHMH-UHFFFAOYSA-N 0 0 436.562 5.771 50 0 aggregator IKAARN CSc1ccc(CCNC(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000008589229 562951149 /nfs/dbraw/zinc/95/11/49/562951149.db2.gz YFOFIEJXZFILTC-GDLZYMKVSA-N 0 0 448.009 5.076 50 0 IKAARN CC(C)N(C(=O)Cn1cc(SCC(=O)Nc2ccccc2F)c2ccccc21)C(C)C ZINC000008589582 562951272 /nfs/dbraw/zinc/95/12/72/562951272.db2.gz BVFMHFJBLGWILR-UHFFFAOYSA-N 0 0 441.572 5.157 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCCCC2 ZINC000008589816 562951376 /nfs/dbraw/zinc/95/13/76/562951376.db2.gz XQLVIQFLYWLGCY-UHFFFAOYSA-N 0 0 441.471 5.230 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4cccc(Br)c4)cc3n2)cc1 ZINC000008590045 562951417 /nfs/dbraw/zinc/95/14/17/562951417.db2.gz PDYNDTWZQYVAAF-UHFFFAOYSA-N 0 0 432.243 6.153 50 0 IKAARN CCc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000008589885 562951426 /nfs/dbraw/zinc/95/14/26/562951426.db2.gz RTIKVKLDEMCGBQ-UHFFFAOYSA-N 0 0 434.923 6.345 50 0 IKAARN CCOc1cc(CNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)ccc1OC ZINC000008590089 562951464 /nfs/dbraw/zinc/95/14/64/562951464.db2.gz ZDPUPVROJDSIDW-UHFFFAOYSA-N 0 0 438.524 5.233 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000008590128 562951487 /nfs/dbraw/zinc/95/14/87/562951487.db2.gz WZRYFGDKXOMZRM-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN Cc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccc3c(c2)OCO3)cc1C ZINC000008590696 562951767 /nfs/dbraw/zinc/95/17/67/562951767.db2.gz NKTJNXJWBRCULT-RFBIWTDZSA-N 0 0 432.520 5.982 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccc(=O)[nH]c3)cc12 ZINC000008590679 562951783 /nfs/dbraw/zinc/95/17/83/562951783.db2.gz NNWBLKRMXPDIHY-UHFFFAOYSA-N 0 0 438.409 5.246 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc12 ZINC000008590693 562951799 /nfs/dbraw/zinc/95/17/99/562951799.db2.gz HWHSHYIDCHODQE-UHFFFAOYSA-N 0 0 436.342 6.775 50 0 IKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@H]2c2cccs2)cc1 ZINC000008590753 562951842 /nfs/dbraw/zinc/95/18/42/562951842.db2.gz HHXYDRXUGUMNEW-HSZRJFAPSA-N 0 0 431.517 5.295 50 0 aggregator IKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000008590755 562951862 /nfs/dbraw/zinc/95/18/62/562951862.db2.gz HHXYDRXUGUMNEW-QHCPKHFHSA-N 0 0 431.517 5.295 50 0 aggregator IKAARN Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(C)c(C)c3)sc3nc(C)cc(C)c32)cc1 ZINC000008590724 562951870 /nfs/dbraw/zinc/95/18/70/562951870.db2.gz QRUBIJMNLCAABU-UHFFFAOYSA-N 0 0 443.572 6.343 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cccc(N(C)C)c3)cc12 ZINC000008590772 562951882 /nfs/dbraw/zinc/95/18/82/562951882.db2.gz CHFWREWXHAVZNS-UHFFFAOYSA-N 0 0 430.939 6.259 50 0 IKAARN C[C@@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008591740 562952129 /nfs/dbraw/zinc/95/21/29/562952129.db2.gz VBYFYQRIHFTGDV-OAHLLOKOSA-N 0 0 427.572 6.089 50 0 IKAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(C)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000008592348 562952296 /nfs/dbraw/zinc/95/22/96/562952296.db2.gz VCDLISBRKNZSHV-HSZRJFAPSA-N 0 0 444.531 5.047 50 0 IKAARN O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc21 ZINC000008592468 562952350 /nfs/dbraw/zinc/95/23/50/562952350.db2.gz RUZSDQMZKNJMRE-MRXNPFEDSA-N 0 0 432.932 5.732 50 0 IKAARN CCOc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1 ZINC000008592573 562952369 /nfs/dbraw/zinc/95/23/69/562952369.db2.gz MUYUBZJGDVZTFP-UHFFFAOYSA-N 0 0 449.420 6.823 50 0 IKAARN Cc1ccc(-c2nc(-c3cc4cccc(OCc5ccc(F)cc5)c4oc3=O)no2)cc1 ZINC000008592654 562952395 /nfs/dbraw/zinc/95/23/95/562952395.db2.gz XYJCFUBMGIKOMZ-UHFFFAOYSA-N 0 0 428.419 5.537 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1ccc(C(C)(C)C)cc1 ZINC000008593160 562952572 /nfs/dbraw/zinc/95/25/72/562952572.db2.gz YEWDTQDLAXBGNH-UHFFFAOYSA-N 0 0 446.616 5.430 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2Cc1cccc(C)c1 ZINC000008593194 562952629 /nfs/dbraw/zinc/95/26/29/562952629.db2.gz LMHPKEUMPLPQMF-UHFFFAOYSA-N 0 0 445.371 5.494 50 0 IKAARN CCOc1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000008594423 562952963 /nfs/dbraw/zinc/95/29/63/562952963.db2.gz RZJWOMPOSAPIJL-UHFFFAOYSA-N 0 0 428.323 5.881 50 0 IKAARN Cc1cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)ccc1Br ZINC000008594514 562953019 /nfs/dbraw/zinc/95/30/19/562953019.db2.gz NEWCCLJHUOWNOG-HXUWFJFHSA-N 0 0 438.300 6.148 50 0 IKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(Cl)c(C(=O)OC(C)C)c2)n1 ZINC000008594228 562953021 /nfs/dbraw/zinc/95/30/21/562953021.db2.gz ZUGDPLZTZGTAIO-UHFFFAOYSA-N 0 0 435.915 5.395 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2Sc2ccc(C)cc21 ZINC000008594645 562953035 /nfs/dbraw/zinc/95/30/35/562953035.db2.gz OKSGUEKNIWFCPK-UHFFFAOYSA-N 0 0 430.573 6.319 50 0 aggregator IKAARN CCOc1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000008594878 562953123 /nfs/dbraw/zinc/95/31/23/562953123.db2.gz GKPOUGMXMCVMGL-UHFFFAOYSA-N 0 0 443.547 5.649 50 0 IKAARN CCC1=Nc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2Sc2ccccc21 ZINC000008595015 562953137 /nfs/dbraw/zinc/95/31/37/562953137.db2.gz AHCCMZXKMGOJBI-UHFFFAOYSA-N 0 0 446.572 5.672 50 0 biogenic IKAARN COc1ccc(N(C)C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)c(OC)c1 ZINC000008595236 562953348 /nfs/dbraw/zinc/95/33/48/562953348.db2.gz CRUWFZAHINFSBW-UHFFFAOYSA-N 0 0 429.472 5.062 50 0 IKAARN CSc1cccc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000008595428 562953454 /nfs/dbraw/zinc/95/34/54/562953454.db2.gz MCUVBMONFUBRSE-UHFFFAOYSA-N 0 0 447.991 6.326 50 0 aggregator IKAARN CCOc1ccc(CNC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)cc1 ZINC000008596655 562953828 /nfs/dbraw/zinc/95/38/28/562953828.db2.gz AMGXOKVLYGNKIA-UHFFFAOYSA-N 0 0 440.996 5.574 50 0 IKAARN CCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(Cl)cc1 ZINC000008598089 562954173 /nfs/dbraw/zinc/95/41/73/562954173.db2.gz WEIGEMCOUNPKRR-UHFFFAOYSA-N 0 0 433.021 5.129 50 0 IKAARN CSc1ccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000008598360 562954244 /nfs/dbraw/zinc/95/42/44/562954244.db2.gz QPPJSWVKCDEMSM-UHFFFAOYSA-N 0 0 444.604 5.027 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1Cl ZINC000008599123 562954632 /nfs/dbraw/zinc/95/46/32/562954632.db2.gz CJLFPWIAYMHSMY-UHFFFAOYSA-N 0 0 429.881 5.239 50 0 IKAARN O=C(CSCc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000008599689 562954839 /nfs/dbraw/zinc/95/48/39/562954839.db2.gz PHKAHBQENGNBTO-AREMUKBSSA-N 0 0 430.548 5.715 50 0 IKAARN COc1cccc(CNC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)c1 ZINC000008599783 562954849 /nfs/dbraw/zinc/95/48/49/562954849.db2.gz WTWABZWGEAOONR-UHFFFAOYSA-N 0 0 426.969 5.184 50 0 IKAARN CC1CCN(S(=O)(=O)c2ccc3nc(Nc4cccc(C(F)(F)F)c4)ccc3c2)CC1 ZINC000008599701 562954864 /nfs/dbraw/zinc/95/48/64/562954864.db2.gz XCDLUDYYESMCMW-UHFFFAOYSA-N 0 0 449.498 5.418 50 0 aggregator IKAARN O=C(CSc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000008600110 562954905 /nfs/dbraw/zinc/95/49/05/562954905.db2.gz SWNKKTWPUMWRAB-VWLOTQADSA-N 0 0 432.976 6.088 50 0 IKAARN COc1ccc(CC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(SC)cc2)cc1 ZINC000008600019 562954915 /nfs/dbraw/zinc/95/49/15/562954915.db2.gz ASTBLZXUQURXOF-HHHXNRCGSA-N 0 0 442.584 5.615 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Br)cc1 ZINC000008599815 562954928 /nfs/dbraw/zinc/95/49/28/562954928.db2.gz BUGOARRPDXZCOP-XMMPIXPASA-N 0 0 445.360 6.027 50 0 aggregator,biogenic IKAARN O=C(CSCc1nc2cccnc2n1C1CCCCC1)NCc1cccc(Cl)c1 ZINC000008600203 562954993 /nfs/dbraw/zinc/95/49/93/562954993.db2.gz PCOAUNLXGFYPIM-UHFFFAOYSA-N 0 0 428.989 5.140 50 0 IKAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)s1 ZINC000008601188 562955243 /nfs/dbraw/zinc/95/52/43/562955243.db2.gz VOEXDZFYXUWETB-UHFFFAOYSA-N 0 0 425.366 5.255 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000008602184 562955790 /nfs/dbraw/zinc/95/57/90/562955790.db2.gz WNVCSYLQFXPGLB-UHFFFAOYSA-N 0 0 434.499 5.231 50 0 IKAARN COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)c(OC)c1 ZINC000008602983 562955877 /nfs/dbraw/zinc/95/58/77/562955877.db2.gz MVYLKMQKRMYLJM-UHFFFAOYSA-N 0 0 432.495 5.715 50 0 aggregator IKAARN COc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1OC ZINC000008602837 562955879 /nfs/dbraw/zinc/95/58/79/562955879.db2.gz RVJMZMDGOIUFLA-UHFFFAOYSA-N 0 0 428.532 5.254 50 0 aggregator IKAARN O=C(NCc1ccccc1Cl)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000008603149 562955933 /nfs/dbraw/zinc/95/59/33/562955933.db2.gz LESMVKORKYCLAT-UHFFFAOYSA-N 0 0 433.939 5.645 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000008603115 562955964 /nfs/dbraw/zinc/95/59/64/562955964.db2.gz QJYFQQJVPKGCFH-QFIPXVFZSA-N 0 0 441.487 5.402 50 0 IKAARN CC(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000008603368 562956008 /nfs/dbraw/zinc/95/60/08/562956008.db2.gz BKCHYCDMNUQEJG-UHFFFAOYSA-N 0 0 441.531 5.445 50 0 aggregator IKAARN COc1ccc(C)cc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603692 562956062 /nfs/dbraw/zinc/95/60/62/562956062.db2.gz AGMLWOLCJYOADX-UHFFFAOYSA-N 0 0 429.520 5.093 50 0 IKAARN Cc1cn2c(nc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2=O)s1 ZINC000008603799 562956143 /nfs/dbraw/zinc/95/61/43/562956143.db2.gz AZPZNRQOVUVUHY-UHFFFAOYSA-N 0 0 447.560 5.193 50 0 aggregator IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000008603927 562956175 /nfs/dbraw/zinc/95/61/75/562956175.db2.gz HYAFBNLXXDKOIC-QGZVFWFLSA-N 0 0 444.487 5.490 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008603905 562956181 /nfs/dbraw/zinc/95/61/81/562956181.db2.gz RVXFERIYRWSHEZ-UHFFFAOYSA-N 0 0 432.495 5.979 50 0 IKAARN CCc1ccc(CNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000008603920 562956189 /nfs/dbraw/zinc/95/61/89/562956189.db2.gz CDGKGDCWWUOFRT-UHFFFAOYSA-N 0 0 427.548 5.016 50 0 aggregator IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)c(OC)c1 ZINC000008603967 562956239 /nfs/dbraw/zinc/95/62/39/562956239.db2.gz RNZAGJQEQDMRIV-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000008604018 562956240 /nfs/dbraw/zinc/95/62/40/562956240.db2.gz WISJSDKYLVBHCW-UHFFFAOYSA-N 0 0 444.531 5.849 50 0 IKAARN CCOc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000008604030 562956242 /nfs/dbraw/zinc/95/62/42/562956242.db2.gz MCGCGTXBERIMIH-UHFFFAOYSA-N 0 0 442.540 5.123 50 0 IKAARN Cc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccc(F)cc3)c2c1 ZINC000008605085 562956573 /nfs/dbraw/zinc/95/65/73/562956573.db2.gz UDFGCOXANHGKMS-UHFFFAOYSA-N 0 0 433.504 5.363 50 0 aggregator IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4ccc(OC)c(Cl)c4)C3)sc2c1 ZINC000008605126 562956633 /nfs/dbraw/zinc/95/66/33/562956633.db2.gz RJNAATLMLRZVSX-AWEZNQCLSA-N 0 0 445.972 5.212 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c3c2cnc2ccc(C)cc32)cc1 ZINC000008605870 562956845 /nfs/dbraw/zinc/95/68/45/562956845.db2.gz ROVIKCOJOOAKKD-UHFFFAOYSA-N 0 0 434.543 6.069 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(CC(=O)NC4CCCCC4)c3c2c1 ZINC000008605935 562956856 /nfs/dbraw/zinc/95/68/56/562956856.db2.gz SIPNYOJNGJVZEZ-UHFFFAOYSA-N 0 0 442.563 5.326 50 0 IKAARN CCc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NCc4ccccc4)c3c2c1 ZINC000008605962 562956924 /nfs/dbraw/zinc/95/69/24/562956924.db2.gz DMCGGVVYYOXMNV-UHFFFAOYSA-N 0 0 438.506 5.269 50 0 IKAARN Cn1c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2nc1SCc1ccc(F)cc1 ZINC000008606388 562956931 /nfs/dbraw/zinc/95/69/31/562956931.db2.gz KMWVSTUGJNOUFC-UHFFFAOYSA-N 0 0 439.943 5.588 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2)cc1 ZINC000008606359 562956941 /nfs/dbraw/zinc/95/69/41/562956941.db2.gz ZVQKNTISQUGUSI-UHFFFAOYSA-N 0 0 433.552 5.497 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1cccc(F)c1)Nc1ccc(Cl)cc1F ZINC000008606396 562956982 /nfs/dbraw/zinc/95/69/82/562956982.db2.gz PBEFFHPOCPWEDV-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1CCc1ccccc1 ZINC000008606544 562956997 /nfs/dbraw/zinc/95/69/97/562956997.db2.gz JEJRMWYVHAWWRC-DEOSSOPVSA-N 0 0 429.907 5.224 50 0 aggregator IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccc(F)cc1 ZINC000008606458 562956999 /nfs/dbraw/zinc/95/69/99/562956999.db2.gz BODLJCWYIGGXEO-LJQANCHMSA-N 0 0 429.495 5.165 50 0 IKAARN O=C(NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000008606452 562957023 /nfs/dbraw/zinc/95/70/23/562957023.db2.gz SAETXHXUEMRMKO-UHFFFAOYSA-N 0 0 439.987 5.398 50 0 aggregator IKAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000008606709 562957135 /nfs/dbraw/zinc/95/71/35/562957135.db2.gz DGLPBXUTFSJKRO-UHFFFAOYSA-N 0 0 448.611 5.357 50 0 IKAARN Cc1cccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2Cl)c1 ZINC000008608625 562957524 /nfs/dbraw/zinc/95/75/24/562957524.db2.gz ZUEQGBZDSRAVNK-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1Cl)[C@@H]2c1ccc(OC)cc1 ZINC000008609104 562957613 /nfs/dbraw/zinc/95/76/13/562957613.db2.gz USGXQBIKJBCANX-JOCHJYFZSA-N 0 0 440.996 6.461 50 0 aggregator IKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2c(CC)c(C)sc2[C@@H]1c1ccccc1 ZINC000008609075 562957631 /nfs/dbraw/zinc/95/76/31/562957631.db2.gz IESQWSZQXSTDMA-QHCPKHFHSA-N 0 0 448.588 5.975 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000008609152 562957721 /nfs/dbraw/zinc/95/77/21/562957721.db2.gz LKNXSPYYUKRCCK-QFIPXVFZSA-N 0 0 442.506 6.224 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cc3cc4ccc(OC)c(Cl)c4nc3s2)cc1 ZINC000008609658 562957905 /nfs/dbraw/zinc/95/79/05/562957905.db2.gz DMEKHTRKBGNVTR-UHFFFAOYSA-N 0 0 426.881 5.150 50 0 IKAARN COc1cc(OC)c(NC(=O)N[C@@H](C)c2c(C)c(C)sc2-n2cccc2)cc1Cl ZINC000008609954 562958004 /nfs/dbraw/zinc/95/80/04/562958004.db2.gz NDTFGOZUYNATQS-ZDUSSCGKSA-N 0 0 433.961 5.709 50 0 aggregator IKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000008611057 562958374 /nfs/dbraw/zinc/95/83/74/562958374.db2.gz LRCWDEHVVIDYET-UHFFFAOYSA-N 0 0 446.975 5.656 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 ZINC000008611457 562958581 /nfs/dbraw/zinc/95/85/81/562958581.db2.gz CEKPYADKPMSIAA-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN COc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 ZINC000008611466 562958623 /nfs/dbraw/zinc/95/86/23/562958623.db2.gz AGNQTQWHLUHJMP-UHFFFAOYSA-N 0 0 433.508 5.761 50 0 IKAARN COc1cccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)c1 ZINC000008611763 562958714 /nfs/dbraw/zinc/95/87/14/562958714.db2.gz VDJIYPICCGBJHK-UHFFFAOYSA-N 0 0 425.513 5.552 50 0 IKAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccn32)cc1 ZINC000008611824 562958751 /nfs/dbraw/zinc/95/87/51/562958751.db2.gz LQXMFIJCDCJSIO-UHFFFAOYSA-N 0 0 437.421 5.332 50 0 IKAARN CCc1ccc2occ(CC(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)cc3)c2c1 ZINC000008612003 562958831 /nfs/dbraw/zinc/95/88/31/562958831.db2.gz SREBTOUUFVMBSH-UHFFFAOYSA-N 0 0 437.495 6.462 50 0 IKAARN Cc1ccc2c(CC(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)coc2c1 ZINC000008611981 562958839 /nfs/dbraw/zinc/95/88/39/562958839.db2.gz OBBBXFTYWIJAOI-UHFFFAOYSA-N 0 0 427.431 6.039 50 0 IKAARN CCc1ccc2occ(CC(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)c2c1 ZINC000008612002 562958848 /nfs/dbraw/zinc/95/88/48/562958848.db2.gz HSOOGIZKFVJGJQ-UHFFFAOYSA-N 0 0 441.458 6.293 50 0 IKAARN COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(Cl)c1 ZINC000008612010 562958933 /nfs/dbraw/zinc/95/89/33/562958933.db2.gz CFHTWNHWUPBLLL-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000008612011 562958934 /nfs/dbraw/zinc/95/89/34/562958934.db2.gz MNJNIWSZWCMXBU-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 aggregator IKAARN COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3ccccc3OC)cc2c1 ZINC000008612052 562958947 /nfs/dbraw/zinc/95/89/47/562958947.db2.gz NDQQBDPLTIFAFP-UHFFFAOYSA-N 0 0 448.906 5.046 50 0 IKAARN Cc1ccc2oc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccccc3)cc(=O)c2c1 ZINC000008612388 562959196 /nfs/dbraw/zinc/95/91/96/562959196.db2.gz IAOVYSXZNZTOQG-UHFFFAOYSA-N 0 0 438.439 5.352 50 0 IKAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1ccccc1C ZINC000008612504 562959226 /nfs/dbraw/zinc/95/92/26/562959226.db2.gz VQKIKFMIWJPESA-UHFFFAOYSA-N 0 0 428.440 5.333 50 0 IKAARN CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000008612638 562959254 /nfs/dbraw/zinc/95/92/54/562959254.db2.gz JTAYXMMVLAJVJI-UHFFFAOYSA-N 0 0 427.932 5.620 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCCc3ccccc3)c(=O)oc12 ZINC000008612880 562959312 /nfs/dbraw/zinc/95/93/12/562959312.db2.gz FWXQNVWXJRIPAJ-UHFFFAOYSA-N 0 0 431.532 5.355 50 0 IKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)oc1c2C ZINC000008612869 562959323 /nfs/dbraw/zinc/95/93/23/562959323.db2.gz NDWGKKLMFWNGBC-UHFFFAOYSA-N 0 0 437.923 5.409 50 0 IKAARN Cc1ccc2nc(NC(=O)c3nc(SCc4ccccc4C)ncc3Cl)sc2c1 ZINC000008613867 562959452 /nfs/dbraw/zinc/95/94/52/562959452.db2.gz PZHFLFIVXQWKHC-UHFFFAOYSA-N 0 0 440.981 5.901 50 0 IKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1 ZINC000008614070 562959512 /nfs/dbraw/zinc/95/95/12/562959512.db2.gz KJKOCZVJGFRQTJ-UHFFFAOYSA-N 0 0 442.269 5.205 50 0 aggregator IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(C)cccc4C(C)C)ccc32)cc1 ZINC000008613986 562959534 /nfs/dbraw/zinc/95/95/34/562959534.db2.gz MQIYYYZZLSJREN-UHFFFAOYSA-N 0 0 448.588 5.431 50 0 aggregator IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCc3ccc(Cl)cc3)c(C)c12 ZINC000008614264 562959607 /nfs/dbraw/zinc/95/96/07/562959607.db2.gz HKCFZHCMBZFTCB-UHFFFAOYSA-N 0 0 446.982 5.557 50 0 IKAARN c1csc(-c2noc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3)n2)c1 ZINC000008614312 562959634 /nfs/dbraw/zinc/95/96/34/562959634.db2.gz BGBFOBWQKKDOJQ-UHFFFAOYSA-N 0 0 431.546 5.262 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008627041 562960069 /nfs/dbraw/zinc/96/00/69/562960069.db2.gz QUFRAKZTKBPFBU-NRFANRHFSA-N 0 0 445.581 5.130 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3C)s2)c(C)c1CCC(C)C ZINC000008654830 562960273 /nfs/dbraw/zinc/96/02/73/562960273.db2.gz YMCHDMBXOLFOHA-UHFFFAOYSA-N 0 0 431.005 6.057 50 0 IKAARN CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000008666262 562960434 /nfs/dbraw/zinc/96/04/34/562960434.db2.gz SPHDSKHTDZMXAT-UHFFFAOYSA-N 0 0 433.320 5.145 50 0 IKAARN Cc1ccc(CSc2nnc(C[S@@](=O)Cc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000008670316 562960634 /nfs/dbraw/zinc/96/06/34/562960634.db2.gz DNBBECPIWLKEEU-HHHXNRCGSA-N 0 0 440.421 5.172 50 0 IKAARN O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCc1ccc(Cl)cc1 ZINC000008672466 562961063 /nfs/dbraw/zinc/96/10/63/562961063.db2.gz ICULCQQZFHRFJH-UHFFFAOYSA-N 0 0 441.969 5.005 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2OC)cc1 ZINC000008673378 562961233 /nfs/dbraw/zinc/96/12/33/562961233.db2.gz OACGZVXYXBVBJU-UHFFFAOYSA-N 0 0 443.572 5.522 50 0 IKAARN Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3cccs3)cc2s1 ZINC000008673657 562961284 /nfs/dbraw/zinc/96/12/84/562961284.db2.gz AWTRJSJHAUPRTB-UHFFFAOYSA-N 0 0 426.588 6.090 50 0 IKAARN CN(C(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccccc1 ZINC000008673748 562961300 /nfs/dbraw/zinc/96/13/00/562961300.db2.gz AMLKOAPMVXRSFT-UHFFFAOYSA-N 0 0 433.558 5.304 50 0 IKAARN Cc1ccc(CSc2nc3ccc(NC(=O)COc4ccc(F)cc4)cc3s2)cc1 ZINC000008673857 562961308 /nfs/dbraw/zinc/96/13/08/562961308.db2.gz XWHINNGXGASOMN-UHFFFAOYSA-N 0 0 438.549 6.054 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000008680384 562961493 /nfs/dbraw/zinc/96/14/93/562961493.db2.gz JNHUBBLEJHRNQW-XMMPIXPASA-N 0 0 447.554 5.195 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(Cl)c3)oc2NCc2ccccc2)cc1 ZINC000008682309 562961747 /nfs/dbraw/zinc/96/17/47/562961747.db2.gz BEZYUVAQNFJEPB-UHFFFAOYSA-N 0 0 438.936 5.748 50 0 IKAARN COc1ccc(NC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)cc1OC ZINC000008682824 562961793 /nfs/dbraw/zinc/96/17/93/562961793.db2.gz FNUHXDMNDGXFFY-UHFFFAOYSA-N 0 0 442.968 5.515 50 0 IKAARN COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)C2)c(OC(C)=O)c1 ZINC000008684632 562962246 /nfs/dbraw/zinc/96/22/46/562962246.db2.gz NHOPCFDQUMPFTB-XOJXFWDVSA-N 0 0 440.499 5.012 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCO2 ZINC000008685413 562962458 /nfs/dbraw/zinc/96/24/58/562962458.db2.gz NUFTXTCIBPSPJF-UHFFFAOYSA-N 0 0 429.501 5.203 50 0 IKAARN O=S(=O)(/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000008685355 562962462 /nfs/dbraw/zinc/96/24/62/562962462.db2.gz GFNKOHYICHFZDD-XSFVSMFZSA-N 0 0 428.435 5.554 50 0 IKAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cc(Cl)ccc1Cl ZINC000008686339 562962788 /nfs/dbraw/zinc/96/27/88/562962788.db2.gz OJWHWKGOLRHLHT-UHFFFAOYSA-N 0 0 426.303 5.561 50 0 IKAARN CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008690525 562963206 /nfs/dbraw/zinc/96/32/06/562963206.db2.gz ZINBTJIEEGTFGN-KRWDZBQOSA-N 0 0 431.256 6.080 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc3c(s1)-c1c(C)cccc1OC3)CC2 ZINC000008690996 562963324 /nfs/dbraw/zinc/96/33/24/562963324.db2.gz BYBZEJVMDIQQLG-OAHLLOKOSA-N 0 0 435.545 5.393 50 0 IKAARN COc1ccccc1/C=C(/CC(=O)NCc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000008774801 562964149 /nfs/dbraw/zinc/96/41/49/562964149.db2.gz HYFYZMCEZCDXNO-RGEXLXHISA-N 0 0 432.520 5.691 50 0 IKAARN COC(=O)c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C(=O)OC)c1 ZINC000008830830 562964890 /nfs/dbraw/zinc/96/48/90/562964890.db2.gz FTSNOBGERFESDT-UHFFFAOYSA-N 0 0 448.258 5.079 50 0 IKAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008830884 562964893 /nfs/dbraw/zinc/96/48/93/562964893.db2.gz HXIQDWSDOYUADA-UHFFFAOYSA-N 0 0 443.347 5.736 50 0 IKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)c4cccs4)cc3s2)cc1 ZINC000008830946 562964954 /nfs/dbraw/zinc/96/49/54/562964954.db2.gz FISSTCQVUBLXMA-UHFFFAOYSA-N 0 0 426.588 6.090 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2nc1Cc1ccccc1OC)c1ccccc1 ZINC000008831428 562965046 /nfs/dbraw/zinc/96/50/46/562965046.db2.gz VKMHDTLTOGVDEH-UHFFFAOYSA-N 0 0 443.572 5.374 50 0 IKAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)cc1 ZINC000008860089 562965283 /nfs/dbraw/zinc/96/52/83/562965283.db2.gz XYAMIYHXMKVHPN-IBGZPJMESA-N 0 0 433.558 5.668 50 0 aggregator IKAARN COc1ccc(OCC(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1 ZINC000008860299 562965336 /nfs/dbraw/zinc/96/53/36/562965336.db2.gz QFWPJXGGEXYAPK-UHFFFAOYSA-N 0 0 433.895 5.219 50 0 IKAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4cccc(Cl)c4C)c3)nc2c1 ZINC000008860220 562965358 /nfs/dbraw/zinc/96/53/58/562965358.db2.gz RIEVIEAQRLUROV-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(SCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1C ZINC000009213695 562968176 /nfs/dbraw/zinc/96/81/76/562968176.db2.gz JUDMOXPOIXWNEY-UHFFFAOYSA-N 0 0 440.590 5.085 50 0 IKAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000009255870 562968489 /nfs/dbraw/zinc/96/84/89/562968489.db2.gz GYYGZGZSYADILM-OAQYLSRUSA-N 0 0 428.513 5.023 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1Cl ZINC000009366804 562969632 /nfs/dbraw/zinc/96/96/32/562969632.db2.gz ROHHUXKBFOQTFE-UHFFFAOYSA-N 0 0 440.775 5.499 50 0 IKAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000009416480 562970400 /nfs/dbraw/zinc/97/04/00/562970400.db2.gz YYEQOHRYWVNJNA-UHFFFAOYSA-N 0 0 425.941 5.615 50 0 IKAARN CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009427329 562970474 /nfs/dbraw/zinc/97/04/74/562970474.db2.gz FBULPKPHMSLOMY-OAQYLSRUSA-N 0 0 440.385 5.193 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(C)C)cc2)[C@@H]1c1cccs1 ZINC000009433036 562970843 /nfs/dbraw/zinc/97/08/43/562970843.db2.gz AYHMXVZVCWAYDM-RPBOFIJWSA-N 0 0 446.616 6.447 50 0 IKAARN Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433620 562970994 /nfs/dbraw/zinc/97/09/94/562970994.db2.gz WFLDJSCUCODITC-DNQXCXABSA-N 0 0 430.573 5.919 50 0 IKAARN Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433623 562970999 /nfs/dbraw/zinc/97/09/99/562970999.db2.gz WFLDJSCUCODITC-ZEQRLZLVSA-N 0 0 430.573 5.919 50 0 IKAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000009433583 562971013 /nfs/dbraw/zinc/97/10/13/562971013.db2.gz PBJQSQNEXIIZNA-DQEYMECFSA-N 0 0 444.600 6.173 50 0 IKAARN CCC1=Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2Sc2ccc(Br)cc21 ZINC000009608267 562973991 /nfs/dbraw/zinc/97/39/91/562973991.db2.gz FWDGNGNJNVPPMH-HNNXBMFYSA-N 0 0 445.382 5.353 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1)c1ccco1 ZINC000009712171 562975712 /nfs/dbraw/zinc/97/57/12/562975712.db2.gz RMQRKGLKZCBIDR-IBGZPJMESA-N 0 0 431.517 5.509 50 0 IKAARN O=C(NCCn1cc(SCc2ccccc2Cl)c2ccccc21)c1cccs1 ZINC000009775863 562976790 /nfs/dbraw/zinc/97/67/90/562976790.db2.gz UDDNXFPSRGBNOO-UHFFFAOYSA-N 0 0 426.994 6.079 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1n[nH]c(-c2ccccc2Br)n1 ZINC000009780855 562976833 /nfs/dbraw/zinc/97/68/33/562976833.db2.gz HQXPVWPUQLVRMT-LBPRGKRZSA-N 0 0 441.354 5.387 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000010029095 562978347 /nfs/dbraw/zinc/97/83/47/562978347.db2.gz FVPQVQWYLIEOQS-QFIPXVFZSA-N 0 0 447.560 5.848 50 0 IKAARN O=C(CCCSc1ccccc1)N(Cc1ccncc1)c1nc2c(cccc2F)s1 ZINC000010254368 562978608 /nfs/dbraw/zinc/97/86/08/562978608.db2.gz AYJRCOMMSRZVMS-UHFFFAOYSA-N 0 0 437.565 5.936 50 0 IKAARN C[C@H](c1ccccc1)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)C(=O)c1ccco1 ZINC000012383796 562981874 /nfs/dbraw/zinc/98/18/74/562981874.db2.gz XQPMDJXRXKQOOF-RZFJZAQRSA-N 0 0 445.603 6.862 50 0 IKAARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC ZINC000012973320 562983654 /nfs/dbraw/zinc/98/36/54/562983654.db2.gz UCHBSORTJGWPLP-MRXNPFEDSA-N 0 0 438.524 5.159 50 0 IKAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC ZINC000012973322 562983673 /nfs/dbraw/zinc/98/36/73/562983673.db2.gz UCHBSORTJGWPLP-INIZCTEOSA-N 0 0 438.524 5.159 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3nccnc3c2)c1 ZINC000012974500 562983678 /nfs/dbraw/zinc/98/36/78/562983678.db2.gz QNWDUFUJNRWWCG-UHFFFAOYSA-N 0 0 436.393 5.153 50 0 IKAARN COC(=O)C(=CNc1ccc(Cl)c2ccccc12)c1ncc(C(F)(F)F)cc1Cl ZINC000013119160 562984631 /nfs/dbraw/zinc/98/46/31/562984631.db2.gz RULGCOOEHVTMKP-UVTDQMKNSA-N 0 0 441.236 6.186 50 0 IKAARN CCSC(SCC)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 ZINC000013976232 563014075 /nfs/dbraw/zinc/01/40/75/563014075.db2.gz LDBUJIGWHJRDNE-OQEHDIDLSA-N 0 0 432.607 5.416 50 0 IKAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4C(F)(F)F)cc3c2C1 ZINC000015526851 563017869 /nfs/dbraw/zinc/01/78/69/563017869.db2.gz RQGXSOAOOLBVLN-CQSZACIVSA-N 0 0 443.469 5.022 50 0 IKAARN Cc1cccc(N2CCN([C@@H](c3nnc(-c4ccccc4)o3)c3ccc(F)cc3)CC2)c1C ZINC000020178473 563023861 /nfs/dbraw/zinc/02/38/61/563023861.db2.gz WJYADGBJCBQJIT-RUZDIDTESA-N 0 0 442.538 5.404 50 0 aggregator IKAARN Fc1ccc([C@@H](NCCc2ccc(Cl)cc2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178249 563023873 /nfs/dbraw/zinc/02/38/73/563023873.db2.gz BWHZLWDRAYGMFV-OAQYLSRUSA-N 0 0 442.321 6.104 50 0 IKAARN Cc1ccc(C)c(N2CCN([C@H](c3nnc(-c4ccccc4)o3)c3ccc(F)cc3)CC2)c1 ZINC000020178475 563023893 /nfs/dbraw/zinc/02/38/93/563023893.db2.gz BTGMIWLPDUPRJJ-VWLOTQADSA-N 0 0 442.538 5.404 50 0 IKAARN Fc1ccc([C@@H](NCCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000020178487 563023908 /nfs/dbraw/zinc/02/39/08/563023908.db2.gz IYJVSBOKRFRMEO-OAQYLSRUSA-N 0 0 442.321 6.104 50 0 IKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCC[C@@H]2C)cc1 ZINC000020381800 563024636 /nfs/dbraw/zinc/02/46/36/563024636.db2.gz JQWLNIKOJZUWLS-HNNXBMFYSA-N 0 0 430.957 5.108 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000027528390 563043352 /nfs/dbraw/zinc/04/33/52/563043352.db2.gz KFBGAZDIDRRYQQ-UHFFFAOYSA-N 0 0 448.632 5.080 50 0 IKAARN O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000038204418 563096971 /nfs/dbraw/zinc/09/69/71/563096971.db2.gz JBRNEVFTJPFTDM-HBSZIVNGSA-N 0 0 428.482 6.402 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCc5ccccc54)c3n2)cc1 ZINC000039706886 563099325 /nfs/dbraw/zinc/09/93/25/563099325.db2.gz KQEVFHFDANVJST-UHFFFAOYSA-N 0 0 436.437 5.317 50 0 IKAARN CC(=O)O[C@H](C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 ZINC000023313321 568618120 /nfs/dbraw/zinc/61/81/20/568618120.db2.gz FJUGQJFQYMNPAH-MHZLTWQESA-N 0 0 427.544 5.439 50 0 IKAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 ZINC000106171054 568624993 /nfs/dbraw/zinc/62/49/93/568624993.db2.gz QOXBPKJTVZKVHV-RZQQEMMASA-N 0 0 438.959 5.187 50 0 IKAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(Br)s1 ZINC000018939614 568627436 /nfs/dbraw/zinc/62/74/36/568627436.db2.gz OBNIYFIGYKKYCD-OAHLLOKOSA-N 0 0 429.383 5.637 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000000898721 568635385 /nfs/dbraw/zinc/63/53/85/568635385.db2.gz TZDGKCJCQTUKRL-UHFFFAOYSA-N 0 0 432.524 5.302 50 0 IKAARN Cc1nnc(SC[C@H](O)Cn2c3ccccc3c3ccccc32)n1-c1ccccc1C ZINC000025094507 568635980 /nfs/dbraw/zinc/63/59/80/568635980.db2.gz OOAZNLXUDAPHGP-LJQANCHMSA-N 0 0 428.561 5.145 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 ZINC000000906690 568636186 /nfs/dbraw/zinc/63/61/86/568636186.db2.gz AGSQTPUNHBQVPR-UHFFFAOYSA-N 0 0 436.558 5.048 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 ZINC000000917128 568636635 /nfs/dbraw/zinc/63/66/35/568636635.db2.gz HFVNDCOQFYDLJD-UHFFFAOYSA-N 0 0 448.979 5.551 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCCCCC3)n2)cc1 ZINC000000920448 568637457 /nfs/dbraw/zinc/63/74/57/568637457.db2.gz VAPLKKCLWGNRIL-UHFFFAOYSA-N 0 0 439.503 5.056 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)c1C ZINC000000936557 568638700 /nfs/dbraw/zinc/63/87/00/568638700.db2.gz INJHXBJTRLLNRR-UHFFFAOYSA-N 0 0 434.952 5.575 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc(OC)c1OC ZINC000000936141 568638746 /nfs/dbraw/zinc/63/87/46/568638746.db2.gz SSSZNSCOJCNBGY-UHFFFAOYSA-N 0 0 446.528 5.755 50 0 IKAARN O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn21)c1ccc(Br)cc1 ZINC000000936114 568638778 /nfs/dbraw/zinc/63/87/78/568638778.db2.gz YOKZBZOCHGZJGF-UHFFFAOYSA-N 0 0 442.316 6.169 50 0 IKAARN Cc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 ZINC000000937480 568638881 /nfs/dbraw/zinc/63/88/81/568638881.db2.gz VCDXGQQQNYKEIF-UHFFFAOYSA-N 0 0 428.970 5.541 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)c1 ZINC000000937500 568639010 /nfs/dbraw/zinc/63/90/10/568639010.db2.gz UKOJJZMUDBUFPB-UHFFFAOYSA-N 0 0 433.558 5.600 50 0 IKAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000000938897 568639229 /nfs/dbraw/zinc/63/92/29/568639229.db2.gz YJMIFWVCTZEWEJ-LJQANCHMSA-N 0 0 428.323 5.129 50 0 IKAARN COc1ccc(C(=O)Cn2cnc3scc(-c4ccc(C(C)C)cc4)c3c2=O)c(OC)c1 ZINC000000938880 568639396 /nfs/dbraw/zinc/63/93/96/568639396.db2.gz MJZFAWHLYHMHNW-UHFFFAOYSA-N 0 0 448.544 5.149 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000025143321 568639615 /nfs/dbraw/zinc/63/96/15/568639615.db2.gz UZLXWNSGGUOJOZ-UHFFFAOYSA-N 0 0 442.733 6.752 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2Cl)c1-c1ccc(C)cc1 ZINC000025143158 568639695 /nfs/dbraw/zinc/63/96/95/568639695.db2.gz KUXCFVFJNTZKAG-UHFFFAOYSA-N 0 0 446.978 7.159 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(OC)c2)c1-c1ccc(F)cc1 ZINC000025143457 568639699 /nfs/dbraw/zinc/63/96/99/568639699.db2.gz XKZYUAZGWJJAGT-UHFFFAOYSA-N 0 0 446.522 6.345 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1cc(C)cc(C)c1 ZINC000025143194 568639779 /nfs/dbraw/zinc/63/97/79/568639779.db2.gz UVKJCSDONPHVRP-UHFFFAOYSA-N 0 0 440.587 7.122 50 0 IKAARN COc1cc(C(=O)N(C)c2ccc(-c3onc4c3CCc3ccccc3-4)cc2)cc(Cl)n1 ZINC000025143727 568639924 /nfs/dbraw/zinc/63/99/24/568639924.db2.gz VBMSJXFTPXCYHM-UHFFFAOYSA-N 0 0 445.906 5.441 50 0 IKAARN COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)n2)c1 ZINC000025142226 568639998 /nfs/dbraw/zinc/63/99/98/568639998.db2.gz IKXSKQJHWFTZJU-UHFFFAOYSA-N 0 0 445.906 5.734 50 0 IKAARN COc1ccc2sc(C(=O)N[C@@H](Cc3ccc(C)cc3)c3ccccc3)c(Cl)c2c1 ZINC000025142363 568640001 /nfs/dbraw/zinc/64/00/01/568640001.db2.gz HNXOKNLUFRAJIN-NRFANRHFSA-N 0 0 435.976 6.586 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(Cl)c2)c1-c1ccc(C)cc1 ZINC000025142457 568640007 /nfs/dbraw/zinc/64/00/07/568640007.db2.gz RWDSPRFCCVMKSJ-UHFFFAOYSA-N 0 0 446.978 7.159 50 0 IKAARN CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C(=O)NC3CCC3)cc2)n1 ZINC000025142601 568640150 /nfs/dbraw/zinc/64/01/50/568640150.db2.gz GYGSNGFIZCPFMZ-UHFFFAOYSA-N 0 0 439.515 5.152 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1C)n2Cc1cccc(F)c1 ZINC000025142603 568640154 /nfs/dbraw/zinc/64/01/54/568640154.db2.gz VTLZQJVIWXVGTJ-UHFFFAOYSA-N 0 0 448.563 6.310 50 0 IKAARN CCOc1cc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)ccc1OC ZINC000025142814 568640193 /nfs/dbraw/zinc/64/01/93/568640193.db2.gz PQNJHSPEKKJBAY-UHFFFAOYSA-N 0 0 435.476 5.595 50 0 IKAARN CCOc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1OC ZINC000025142617 568640248 /nfs/dbraw/zinc/64/02/48/568640248.db2.gz WXTMHHJSZCYUPC-UHFFFAOYSA-N 0 0 435.476 5.595 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2c(F)cccc2F)c1-c1ccc(C)cc1 ZINC000025145569 568640413 /nfs/dbraw/zinc/64/04/13/568640413.db2.gz NAKPNXWJMBMTQY-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1cc(F)cc(F)c1 ZINC000025145587 568640436 /nfs/dbraw/zinc/64/04/36/568640436.db2.gz DDADAWGRNKOICU-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000940026 568640699 /nfs/dbraw/zinc/64/06/99/568640699.db2.gz XAAQGLJNOSPIFG-UHFFFAOYSA-N 0 0 437.746 5.167 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000025144872 568640847 /nfs/dbraw/zinc/64/08/47/568640847.db2.gz GTOJZBHRIBCQBF-RUZDIDTESA-N 0 0 428.919 6.091 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)oc3C)c2)n(-c2cccc(F)c2)n1 ZINC000025144552 568640851 /nfs/dbraw/zinc/64/08/51/568640851.db2.gz NAPMIYUGSAVWJS-UHFFFAOYSA-N 0 0 447.466 5.317 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(F)ccc2F)c1-c1ccc(C)cc1 ZINC000025144931 568640860 /nfs/dbraw/zinc/64/08/60/568640860.db2.gz MXYQKQMWKUOTJW-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3C)c2)n(-c2cccc(F)c2)n1 ZINC000025144917 568640938 /nfs/dbraw/zinc/64/09/38/568640938.db2.gz KHJITRCCBZEGRG-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccc(F)cc2)n1 ZINC000025144828 568640952 /nfs/dbraw/zinc/64/09/52/568640952.db2.gz QIKREJTYDBCJSN-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1ccc(F)c(F)c1 ZINC000025145106 568640972 /nfs/dbraw/zinc/64/09/72/568640972.db2.gz JBSAWPOUOXIUAX-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN COc1cccc(CNC(=O)c2cc(-c3cccs3)nc3cc(C)c(C)cc32)c1OC ZINC000025144861 568640975 /nfs/dbraw/zinc/64/09/75/568640975.db2.gz OZAASUMXOMOENZ-UHFFFAOYSA-N 0 0 432.545 5.527 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025145722 568640989 /nfs/dbraw/zinc/64/09/89/568640989.db2.gz JXCHYFGNYQPJGO-LJQANCHMSA-N 0 0 446.620 6.154 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3F)c2)n(-c2ccc(F)cc2)n1 ZINC000025145780 568641052 /nfs/dbraw/zinc/64/10/52/568641052.db2.gz MITDBMSYOQEVNE-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3F)c2)n(-c2ccccc2F)n1 ZINC000025146978 568641061 /nfs/dbraw/zinc/64/10/61/568641061.db2.gz LMKSHFVYFOVXAB-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1cc(F)cc(F)c1 ZINC000025146084 568641230 /nfs/dbraw/zinc/64/12/30/568641230.db2.gz PEUJQSCYVIYWNE-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3cccs3)c2)n(-c2ccccc2F)n1 ZINC000025146650 568641235 /nfs/dbraw/zinc/64/12/35/568641235.db2.gz PCBBCIDVRUOTHN-UHFFFAOYSA-N 0 0 449.507 5.098 50 0 IKAARN CCOC(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)c(NC(=O)c2ccnc(Cl)c2)c1 ZINC000025146482 568641241 /nfs/dbraw/zinc/64/12/41/568641241.db2.gz DXHCHJVBTBWANA-UHFFFAOYSA-N 0 0 448.910 5.120 50 0 IKAARN CCc1ccc(C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@H]2c2ccccc2OC)cc1 ZINC000025147108 568641417 /nfs/dbraw/zinc/64/14/17/568641417.db2.gz BSGRNWMAPGVJLQ-HHHXNRCGSA-N 0 0 440.543 5.535 50 0 IKAARN COc1ccc2c(c1)-c1sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc1CC2 ZINC000025148268 568641453 /nfs/dbraw/zinc/64/14/53/568641453.db2.gz CHDDFTCRONILPL-UHFFFAOYSA-N 0 0 439.580 6.365 50 0 IKAARN Cc1cccc(Oc2c(=O)c3ccc(OC(=O)c4cccs4)cc3oc2C(F)(F)F)c1 ZINC000000942767 568641772 /nfs/dbraw/zinc/64/17/72/568641772.db2.gz MFXFSLFOVPLTPX-UHFFFAOYSA-N 0 0 446.402 6.193 50 0 IKAARN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025148435 568641826 /nfs/dbraw/zinc/64/18/26/568641826.db2.gz KXIIVDPQFGNZHX-JTSKRJEESA-N 0 0 442.538 5.844 50 0 IKAARN Cc1cc(C)cc(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)c1 ZINC000000942584 568641946 /nfs/dbraw/zinc/64/19/46/568641946.db2.gz RTJBELUCKZCXCK-UHFFFAOYSA-N 0 0 430.456 5.324 50 0 IKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 ZINC000086057026 568642174 /nfs/dbraw/zinc/64/21/74/568642174.db2.gz KUTPDKBSZYAXJP-IBGZPJMESA-N 0 0 449.576 5.024 50 0 IKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[nH]c(=O)c21 ZINC000086057144 568642523 /nfs/dbraw/zinc/64/25/23/568642523.db2.gz JFCKRHPBVAPAFM-LJQANCHMSA-N 0 0 449.576 5.024 50 0 IKAARN CC(C)CN(CC(C)C)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025149920 568642650 /nfs/dbraw/zinc/64/26/50/568642650.db2.gz BILCUIAUYZVKLA-UHFFFAOYSA-N 0 0 433.581 5.298 50 0 IKAARN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)c1 ZINC000025149771 568642706 /nfs/dbraw/zinc/64/27/06/568642706.db2.gz ALIDEDQDDGZRMT-UHFFFAOYSA-N 0 0 447.538 5.878 50 0 IKAARN Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149614 568642734 /nfs/dbraw/zinc/64/27/34/568642734.db2.gz CKCIHKKGDOAJMB-ROUUACIJSA-N 0 0 442.538 5.653 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(F)cc(F)c1)[C@H]3c1ccccc1OC ZINC000025150221 568643133 /nfs/dbraw/zinc/64/31/33/568643133.db2.gz GZHNYQORGSACAW-VWLOTQADSA-N 0 0 448.469 5.251 50 0 IKAARN Cn1c2ccccc2nc1-c1c(=O)c2ccc(OC(=O)C(C)(C)C)cc2oc1C(C)(C)C ZINC000000945291 568643230 /nfs/dbraw/zinc/64/32/30/568643230.db2.gz NXSJAUZGINZULY-UHFFFAOYSA-N 0 0 432.520 5.596 50 0 IKAARN O=C(c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000025151046 568643349 /nfs/dbraw/zinc/64/33/49/568643349.db2.gz XGUVWYWEGLTCDI-UHFFFAOYSA-N 0 0 429.523 6.095 50 0 IKAARN CCN(C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)C1CCCCC1 ZINC000025150759 568643391 /nfs/dbraw/zinc/64/33/91/568643391.db2.gz IBQARNOXRKQVGP-UHFFFAOYSA-N 0 0 431.565 5.339 50 0 IKAARN O=C(NCc1cccc2ccccc21)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000025151409 568643401 /nfs/dbraw/zinc/64/34/01/568643401.db2.gz PSRHFDRQVXHZPR-UHFFFAOYSA-N 0 0 435.548 7.291 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)c1cncn1-c1ccc(-c2cc3ccccc3o2)cc1 ZINC000025152783 568643406 /nfs/dbraw/zinc/64/34/06/568643406.db2.gz CYCRAZLUJWLEJE-UHFFFAOYSA-N 0 0 449.554 6.728 50 0 IKAARN Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000000947086 568643615 /nfs/dbraw/zinc/64/36/15/568643615.db2.gz APETYTJCURJLKE-UHFFFAOYSA-N 0 0 428.440 5.149 50 0 biogenic IKAARN COc1ccc(-c2cnn3c2ncc(C(=O)N[C@@H](C)c2cccc4ccccc42)c3C)cc1 ZINC000025154054 568643620 /nfs/dbraw/zinc/64/36/20/568643620.db2.gz XPONBTOGUXDILC-KRWDZBQOSA-N 0 0 436.515 5.358 50 0 IKAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(Br)cc3)c2c1 ZINC000000952885 568644882 /nfs/dbraw/zinc/64/48/82/568644882.db2.gz CTLLCHNELLZKRI-UHFFFAOYSA-N 0 0 443.297 5.094 50 0 IKAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OCC ZINC000211036722 568644884 /nfs/dbraw/zinc/64/48/84/568644884.db2.gz RRVDZIPVZYORKU-RGVLZGJSSA-N 0 0 430.501 5.037 50 0 IKAARN Cc1cc(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)cc(C)c1Cl ZINC000000950740 568645201 /nfs/dbraw/zinc/64/52/01/568645201.db2.gz JQWGMNCQXZPRSP-UHFFFAOYSA-N 0 0 430.884 5.434 50 0 IKAARN COc1ccc(C)cc1NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000000951424 568645312 /nfs/dbraw/zinc/64/53/12/568645312.db2.gz NCFROZLRNRDJCK-MDWZMJQESA-N 0 0 437.923 5.897 50 0 IKAARN COc1ccc2nc(NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)sc2c1 ZINC000000951192 568645369 /nfs/dbraw/zinc/64/53/69/568645369.db2.gz QIJARVQRSYPUGB-UHFFFAOYSA-N 0 0 432.545 5.648 50 0 IKAARN Cc1cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc(C)c1Cl ZINC000000950737 568645385 /nfs/dbraw/zinc/64/53/85/568645385.db2.gz BFZDWPZROKQAQD-UHFFFAOYSA-N 0 0 426.877 6.136 50 0 IKAARN COc1ccc(-c2ccc3nc(-c4c(O)ccc5ccccc54)oc3c2)c(OC)c1OC ZINC000025159204 568645587 /nfs/dbraw/zinc/64/55/87/568645587.db2.gz KPSGCJIFGUTRSZ-UHFFFAOYSA-N 0 0 427.456 6.046 50 0 IKAARN COc1ccc(NC(=O)COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000000952086 568645623 /nfs/dbraw/zinc/64/56/23/568645623.db2.gz UAXAKLNFQBZKTL-UHFFFAOYSA-N 0 0 435.863 5.140 50 0 biogenic IKAARN CC(C)c1ccccc1Oc1coc2cc(OCC(=O)NC3CCCCC3)ccc2c1=O ZINC000000956114 568645729 /nfs/dbraw/zinc/64/57/29/568645729.db2.gz DGNGLAQBSFJKDY-UHFFFAOYSA-N 0 0 435.520 5.536 50 0 IKAARN CCOCCNC(=O)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025160770 568645863 /nfs/dbraw/zinc/64/58/63/568645863.db2.gz NEFREWAHJZBSBO-UHFFFAOYSA-N 0 0 441.556 5.674 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000000957185 568646047 /nfs/dbraw/zinc/64/60/47/568646047.db2.gz DOXXQXLBFPSYMD-OVCLIPMQSA-N 0 0 435.907 5.423 50 0 IKAARN COC(=O)c1csc(CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CCCCC2)n1 ZINC000000962800 568646653 /nfs/dbraw/zinc/64/66/53/568646653.db2.gz LSCYWKQPOQZLOR-UHFFFAOYSA-N 0 0 427.353 5.212 50 0 IKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(Cn5ccnc5)c4)cc3)o2)c1 ZINC000025178587 568646730 /nfs/dbraw/zinc/64/67/30/568646730.db2.gz QDGZYIQRMCLDNP-UHFFFAOYSA-N 0 0 435.487 5.209 50 0 IKAARN COc1cccc(Nc2nc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)cs2)c1 ZINC000000961070 568646762 /nfs/dbraw/zinc/64/67/62/568646762.db2.gz NQICOZQBOMGYAC-UHFFFAOYSA-N 0 0 431.517 5.823 50 0 IKAARN COc1cccc(Nc2nc(-c3cccc(NC(=O)CCc4ccccc4)c3)cs2)c1 ZINC000000961063 568646820 /nfs/dbraw/zinc/64/68/20/568646820.db2.gz PLACNBDNYHUFTP-UHFFFAOYSA-N 0 0 429.545 6.134 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025161259 568647012 /nfs/dbraw/zinc/64/70/12/568647012.db2.gz XRIBMEYUPSUCNO-UHFFFAOYSA-N 0 0 438.556 5.480 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1CCc1ccccc1 ZINC000000953972 568647054 /nfs/dbraw/zinc/64/70/54/568647054.db2.gz IZVWWHOVBKZZMM-DEOSSOPVSA-N 0 0 431.586 5.418 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 ZINC000000954661 568647062 /nfs/dbraw/zinc/64/70/62/568647062.db2.gz MHZKIOUYNCQELS-KRWDZBQOSA-N 0 0 434.714 5.166 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000969897 568647283 /nfs/dbraw/zinc/64/72/83/568647283.db2.gz UGBBWRMDBUNWAC-DNQXCXABSA-N 0 0 444.897 5.592 50 0 IKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccccc1C(F)(F)F ZINC000000968840 568647323 /nfs/dbraw/zinc/64/73/23/568647323.db2.gz RTHBSOBNYDJBPG-UHFFFAOYSA-N 0 0 431.414 5.956 50 0 IKAARN O=C(Nc1cccc2ccccc21)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000000973405 568647639 /nfs/dbraw/zinc/64/76/39/568647639.db2.gz NLHHNUMTIRZZQZ-JJIBRWJFSA-N 0 0 437.455 5.158 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccco2)c(C)c1 ZINC000000976179 568648010 /nfs/dbraw/zinc/64/80/10/568648010.db2.gz IZOZLKGXTGGMMX-UHFFFAOYSA-N 0 0 431.517 5.179 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1 ZINC000000977173 568648027 /nfs/dbraw/zinc/64/80/27/568648027.db2.gz MKKMRZKPODNESJ-UHFFFAOYSA-N 0 0 430.529 6.055 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000000990103 568648323 /nfs/dbraw/zinc/64/83/23/568648323.db2.gz CODZHMLOJFTAFM-LJAQVGFWSA-N 0 0 441.571 5.608 50 0 IKAARN O[C@H](CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000025221696 568648555 /nfs/dbraw/zinc/64/85/55/568648555.db2.gz CNAUIXLMRGWXSD-OAQYLSRUSA-N 0 0 439.943 5.476 50 0 IKAARN O[C@@H](CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000025221690 568648590 /nfs/dbraw/zinc/64/85/90/568648590.db2.gz CNAUIXLMRGWXSD-NRFANRHFSA-N 0 0 439.943 5.476 50 0 IKAARN O=C(c1nc2ccccc2s1)c1nn(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1 ZINC000000987934 568649011 /nfs/dbraw/zinc/64/90/11/568649011.db2.gz WFBXLLWMENLREU-UHFFFAOYSA-N 0 0 443.915 5.597 50 0 IKAARN CCOC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1ccc2ccccc2c1 ZINC000000987933 568649025 /nfs/dbraw/zinc/64/90/25/568649025.db2.gz REZQEYRRYAHQPS-UHFFFAOYSA-N 0 0 449.304 5.196 50 0 IKAARN O=C(COc1ccccc1Cl)NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000985377 568649039 /nfs/dbraw/zinc/64/90/39/568649039.db2.gz HQTUQGWNSLUOII-UHFFFAOYSA-N 0 0 431.275 5.513 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000000993548 568649091 /nfs/dbraw/zinc/64/90/91/568649091.db2.gz MUSSONNQCJVFRI-RUZDIDTESA-N 0 0 430.935 6.008 50 0 IKAARN CCSc1nnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)s1 ZINC000000998043 568649308 /nfs/dbraw/zinc/64/93/08/568649308.db2.gz ZFGCCTXDZDRNCT-UHFFFAOYSA-N 0 0 432.983 5.833 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc32)nc1C ZINC000000997552 568649328 /nfs/dbraw/zinc/64/93/28/568649328.db2.gz JOJFCBBTCOXCIX-UHFFFAOYSA-N 0 0 437.546 5.466 50 0 IKAARN O=c1oc2ccc(Br)cc2cc1-c1nnc(-c2ccccc2Br)o1 ZINC000000994368 568649375 /nfs/dbraw/zinc/64/93/75/568649375.db2.gz YCDIANYJVOBNMV-UHFFFAOYSA-N 0 0 448.070 5.035 50 0 IKAARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@@H]2C(=O)c1ccccc1 ZINC000000998241 568649551 /nfs/dbraw/zinc/64/95/51/568649551.db2.gz MDNLBTNGXBLAMZ-RUZDIDTESA-N 0 0 429.560 6.009 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)c1 ZINC000001002221 568650801 /nfs/dbraw/zinc/65/08/01/568650801.db2.gz DZLZSKJPPHHULP-UHFFFAOYSA-N 0 0 434.323 5.125 50 0 IKAARN Cc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(Br)cc32)no1 ZINC000001002865 568650961 /nfs/dbraw/zinc/65/09/61/568650961.db2.gz VKFGGHIPPPDTKL-UHFFFAOYSA-N 0 0 436.309 5.830 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4c(Br)cnn4C)cc3)sc2c1 ZINC000001019090 568651289 /nfs/dbraw/zinc/65/12/89/568651289.db2.gz BEUCZAJHSCABJX-UHFFFAOYSA-N 0 0 427.327 5.020 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001013782 568652206 /nfs/dbraw/zinc/65/22/06/568652206.db2.gz YCJQKELJEMRXKB-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN O=C(Nc1nnc(CCSc2ccc(Br)cc2)s1)c1ccc(F)cc1 ZINC000001023707 568653257 /nfs/dbraw/zinc/65/32/57/568653257.db2.gz MDVADSPIAMPNJM-UHFFFAOYSA-N 0 0 438.347 5.027 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(C=O)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000001070608 568655099 /nfs/dbraw/zinc/65/50/99/568655099.db2.gz TYTVKZYBFKMJHE-UHFFFAOYSA-N 0 0 431.580 5.436 50 0 IKAARN O=C(N[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001059836 568655313 /nfs/dbraw/zinc/65/53/13/568655313.db2.gz LVLKSARGTZIDFB-LJQANCHMSA-N 0 0 433.722 5.757 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NC1CCCCC1 ZINC000001059442 568655407 /nfs/dbraw/zinc/65/54/07/568655407.db2.gz IDWDFIYTOYVMML-UHFFFAOYSA-N 0 0 425.579 5.090 50 0 IKAARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001065490 568656065 /nfs/dbraw/zinc/65/60/65/568656065.db2.gz ZWFDPBQMVNYOKC-UHFFFAOYSA-N 0 0 436.511 5.122 50 0 IKAARN Cc1cc(=O)oc2c3c(OC(=O)c4ccccc4)coc3c(NC(=O)c3ccccc3)cc12 ZINC000001065069 568656071 /nfs/dbraw/zinc/65/60/71/568656071.db2.gz ZEOIWRMNCLFVDT-UHFFFAOYSA-N 0 0 439.423 5.319 50 0 biogenic IKAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 ZINC000001063122 568656103 /nfs/dbraw/zinc/65/61/03/568656103.db2.gz QEWOLHKRZBSVCU-UHFFFAOYSA-N 0 0 439.484 5.394 50 0 IKAARN Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1C[C@H]1CCCO1 ZINC000025396074 568656553 /nfs/dbraw/zinc/65/65/53/568656553.db2.gz WFEDQNMKYACDKG-OAQYLSRUSA-N 0 0 445.588 5.598 50 0 IKAARN O=C1O[C@@H]2C3(CCCCC3)C(=O)O[C@@]2(c2ccc(Br)cc2)C12CCCCC2 ZINC000001075656 568656773 /nfs/dbraw/zinc/65/67/73/568656773.db2.gz IBGURYAQEKKAFD-VGOFRKELSA-N 0 0 433.342 5.028 50 0 IKAARN Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(F)cc3)sc3nc(C)cc(C)c32)cc1 ZINC000001080757 568657179 /nfs/dbraw/zinc/65/71/79/568657179.db2.gz HYZRBVMKUBANJN-UHFFFAOYSA-N 0 0 433.508 5.865 50 0 IKAARN CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 ZINC000001080894 568657206 /nfs/dbraw/zinc/65/72/06/568657206.db2.gz DFIXEEFDUMGXRH-NKKJXINNSA-N 0 0 449.300 5.083 50 0 IKAARN Cc1ccc(N(C(=O)COc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001085250 568657473 /nfs/dbraw/zinc/65/74/73/568657473.db2.gz BXNUTNJLQLUPBO-UHFFFAOYSA-N 0 0 443.952 5.066 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000001083380 568657519 /nfs/dbraw/zinc/65/75/19/568657519.db2.gz RNVPAQHHBBTXEU-UHFFFAOYSA-N 0 0 431.102 6.725 50 0 IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(OC)cc2)cc1 ZINC000001086305 568657523 /nfs/dbraw/zinc/65/75/23/568657523.db2.gz NODPRCRQUHLAAS-SANMLTNESA-N 0 0 426.516 5.363 50 0 IKAARN CC1=CC(C)(C)N(C(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc21 ZINC000001101577 568657955 /nfs/dbraw/zinc/65/79/55/568657955.db2.gz GIRITPKDKMKXPL-UHFFFAOYSA-N 0 0 427.504 6.532 50 0 IKAARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000001097412 568658704 /nfs/dbraw/zinc/65/87/04/568658704.db2.gz WZWDCZHDVJFWKG-ZROIWOOFSA-N 0 0 439.967 5.152 50 0 IKAARN CSc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000001098125 568658721 /nfs/dbraw/zinc/65/87/21/568658721.db2.gz KMROETHMNLXCMM-OAQYLSRUSA-N 0 0 442.606 5.354 50 0 IKAARN Cc1cc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 ZINC000001098817 568659023 /nfs/dbraw/zinc/65/90/23/568659023.db2.gz IVYVJNIPKMCLCF-AREMUKBSSA-N 0 0 430.573 5.638 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001099286 568659027 /nfs/dbraw/zinc/65/90/27/568659027.db2.gz GUUOIFLSLFJRNM-UHFFFAOYSA-N 0 0 449.359 5.212 50 0 IKAARN O=C1NC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000001106141 568659075 /nfs/dbraw/zinc/65/90/75/568659075.db2.gz VCHFFMTYVGGDMR-BOPFTXTBSA-N 0 0 432.785 5.716 50 0 IKAARN CC(=O)c1c(C)n(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(C)s2)c(C)c1C(C)=O ZINC000001106350 568659125 /nfs/dbraw/zinc/65/91/25/568659125.db2.gz CFUGKXULVCHFFX-UHFFFAOYSA-N 0 0 444.556 6.724 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000001116107 568659708 /nfs/dbraw/zinc/65/97/08/568659708.db2.gz DBVPMBWGLABZOQ-LLVKDONJSA-N 0 0 444.336 5.149 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 ZINC000001113880 568659753 /nfs/dbraw/zinc/65/97/53/568659753.db2.gz LFFPTKCQXOLJIM-SOFGYWHQSA-N 0 0 426.321 5.395 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)cc1 ZINC000025480300 568659853 /nfs/dbraw/zinc/65/98/53/568659853.db2.gz VBMWNXJEBZBPHG-NRFANRHFSA-N 0 0 449.598 6.559 50 0 IKAARN Cc1cccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCC2)c1 ZINC000001102352 568660285 /nfs/dbraw/zinc/66/02/85/568660285.db2.gz KOHBEMQKSHBPQO-UHFFFAOYSA-N 0 0 427.548 5.605 50 0 IKAARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CSCc1ccccc1 ZINC000001103290 568660312 /nfs/dbraw/zinc/66/03/12/568660312.db2.gz VKGCEDSUMGTQCE-UHFFFAOYSA-N 0 0 448.382 5.560 50 0 biogenic IKAARN CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccc(Br)cc3)cc21 ZINC000001103530 568660359 /nfs/dbraw/zinc/66/03/59/568660359.db2.gz VNBZCTIQQSKDFX-UHFFFAOYSA-N 0 0 430.298 5.128 50 0 IKAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000001123253 568661298 /nfs/dbraw/zinc/66/12/98/568661298.db2.gz WIECQXPISIEWNZ-KRWDZBQOSA-N 0 0 447.560 5.243 50 0 IKAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000001157979 568663718 /nfs/dbraw/zinc/66/37/18/568663718.db2.gz AQBVYTGFIBDFCI-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN O=C(CCCCCCCCCCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000015134693 568663852 /nfs/dbraw/zinc/66/38/52/568663852.db2.gz OIXJLTXVWAEIIM-UHFFFAOYSA-N 0 0 449.422 7.472 50 0 biogenic IKAARN CC(=O)Oc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 ZINC000015133405 568663924 /nfs/dbraw/zinc/66/39/24/568663924.db2.gz AGWDUQPUHYOPFB-ODLFYWEKSA-N 0 0 442.254 5.523 50 0 IKAARN O=S(=O)(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1 ZINC000082087239 568735076 /nfs/dbraw/zinc/73/50/76/568735076.db2.gz KMHAFSNMNWSCNB-UHFFFAOYSA-N 0 0 443.952 6.244 50 0 IKAARN Cc1ccc(/C=C(/c2nnc(Nc3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000082087227 568735138 /nfs/dbraw/zinc/73/51/38/568735138.db2.gz ZARHCFLADLYWLL-JWGURIENSA-N 0 0 431.517 5.402 50 0 IKAARN COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2Br)c2ccccc2)cc1 ZINC000001170921 568735395 /nfs/dbraw/zinc/73/53/95/568735395.db2.gz LJJCHTIXWAXQRS-OAQYLSRUSA-N 0 0 425.278 5.239 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000001178220 568735809 /nfs/dbraw/zinc/73/58/09/568735809.db2.gz IRBXNSBNAPTSRJ-UHFFFAOYSA-N 0 0 433.895 5.462 50 0 IKAARN CC(C)C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000001178706 568735865 /nfs/dbraw/zinc/73/58/65/568735865.db2.gz QQJUCUZXIGYFMV-QGZVFWFLSA-N 0 0 439.726 5.296 50 0 IKAARN CC(C)C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000001178199 568735896 /nfs/dbraw/zinc/73/58/96/568735896.db2.gz KDEBJDGMKCQISA-QGZVFWFLSA-N 0 0 439.726 5.296 50 0 IKAARN COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)c2c1 ZINC000001180784 568736027 /nfs/dbraw/zinc/73/60/27/568736027.db2.gz MFHPYBWHPWCHFX-MTJSOVHGSA-N 0 0 439.920 5.747 50 0 IKAARN COc1cccc(-c2nc(C(=O)NC(c3ccccc3)c3ccccc3)cs2)c1OC ZINC000025594361 568736693 /nfs/dbraw/zinc/73/66/93/568736693.db2.gz OEXBZJSVOKUJRQ-UHFFFAOYSA-N 0 0 430.529 5.347 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3SCC(=O)c3ccccc3)c2c2c1CCCC2 ZINC000001754355 568738380 /nfs/dbraw/zinc/73/83/80/568738380.db2.gz MDFLPEWZIZSSMV-UHFFFAOYSA-N 0 0 447.629 6.292 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000034858593 568738387 /nfs/dbraw/zinc/73/83/87/568738387.db2.gz JLFMHBKYLWAKFZ-GOSISDBHSA-N 0 0 442.588 5.656 50 0 IKAARN CCCc1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000005919353 568738669 /nfs/dbraw/zinc/73/86/69/568738669.db2.gz KFRMKNMSAHSOIY-JOCHJYFZSA-N 0 0 446.938 5.613 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1c2ccccc2C[C@H]1C ZINC000005948078 568739379 /nfs/dbraw/zinc/73/93/79/568739379.db2.gz BGPKGZUJVBSTNR-MRXNPFEDSA-N 0 0 436.602 5.664 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)c1cccc(Cl)c1 ZINC000001775126 568739522 /nfs/dbraw/zinc/73/95/22/568739522.db2.gz WGFHARTURDLOTP-UHFFFAOYSA-N 0 0 427.239 6.111 50 0 IKAARN Cc1ccccc1C(=O)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001772201 568739563 /nfs/dbraw/zinc/73/95/63/568739563.db2.gz WHEYGIMQYMTWKJ-UHFFFAOYSA-N 0 0 428.484 6.410 50 0 IKAARN C[C@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)OCc1ccccc1Cl ZINC000001778549 568739890 /nfs/dbraw/zinc/73/98/90/568739890.db2.gz QIYPBDGZBPLTQB-STQMWFEESA-N 0 0 432.998 5.694 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1Br ZINC000001783082 568740049 /nfs/dbraw/zinc/74/00/49/568740049.db2.gz PWOLSLXKFDIFMX-UHFFFAOYSA-N 0 0 446.131 6.122 50 0 IKAARN O=C(c1ccccc1)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000006017294 568740247 /nfs/dbraw/zinc/74/02/47/568740247.db2.gz BABSUFBKNMIDHL-MUUNZHRXSA-N 0 0 446.575 7.460 50 0 IKAARN Cc1ccc(Oc2ccc(OCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000006016965 568740257 /nfs/dbraw/zinc/74/02/57/568740257.db2.gz CMWALVPLIUGDRQ-UHFFFAOYSA-N 0 0 449.510 6.348 50 0 IKAARN O=C(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N(c1ccccc1)c1ccccc1 ZINC000001803587 568740490 /nfs/dbraw/zinc/74/04/90/568740490.db2.gz JNZRGNMKEPIQMD-UHFFFAOYSA-N 0 0 427.887 6.908 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccccc1 ZINC000001816597 568741155 /nfs/dbraw/zinc/74/11/55/568741155.db2.gz JRAPHHUAABOYRW-AREMUKBSSA-N 0 0 445.603 6.443 50 0 biogenic IKAARN CN(C1=C(Sc2ccc(Cl)cc2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1 ZINC000001810718 568741206 /nfs/dbraw/zinc/74/12/06/568741206.db2.gz JEKATODBYRRKKG-UHFFFAOYSA-N 0 0 448.975 5.392 50 0 IKAARN O=C(CCCc1nc(-c2cccs2)no1)Oc1ccc(Br)cc1Cl ZINC000031677212 568741347 /nfs/dbraw/zinc/74/13/47/568741347.db2.gz ONEBMHNMLQXIFP-UHFFFAOYSA-N 0 0 427.707 5.142 50 0 IKAARN CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)n1 ZINC000031639701 568741353 /nfs/dbraw/zinc/74/13/53/568741353.db2.gz QXJXBFUAKCEHRD-OAHLLOKOSA-N 0 0 449.536 5.082 50 0 IKAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)n1 ZINC000031639704 568741394 /nfs/dbraw/zinc/74/13/94/568741394.db2.gz QXJXBFUAKCEHRD-HNNXBMFYSA-N 0 0 449.536 5.082 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001825515 568741619 /nfs/dbraw/zinc/74/16/19/568741619.db2.gz FGXMYJDLQKQPFP-GOSISDBHSA-N 0 0 428.623 5.496 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 ZINC000001856768 568741787 /nfs/dbraw/zinc/74/17/87/568741787.db2.gz NCEBBRGOVVQXGU-UHFFFAOYSA-N 0 0 446.641 6.410 50 0 IKAARN CSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000001883602 568741985 /nfs/dbraw/zinc/74/19/85/568741985.db2.gz DTCOUGVHEKAOKS-HHHXNRCGSA-N 0 0 430.617 6.075 50 0 IKAARN CCN(CC)[P@@]1(=Nc2ccc(C)cc2C)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012492316 568742074 /nfs/dbraw/zinc/74/20/74/568742074.db2.gz BTKXFDILNHZZEZ-RUEYHTOUSA-N 0 0 449.583 6.878 50 0 IKAARN CN(Cc1cccs1)C(=S)SCCSC(=S)N(C)Cc1cccs1 ZINC000001874998 568742087 /nfs/dbraw/zinc/74/20/87/568742087.db2.gz YOZVSLDJLMLTNS-UHFFFAOYSA-N 0 0 432.752 5.410 50 0 IKAARN COc1ccc(-c2c/c(=N\c3ccc(OCc4ccccc4)cc3)c3cc(C)ccc3o2)cc1 ZINC000001912096 568742252 /nfs/dbraw/zinc/74/22/52/568742252.db2.gz MQVZLSMAPCKYGP-CCFHIKDMSA-N 0 0 447.534 7.228 50 0 IKAARN Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1C ZINC000001915284 568742264 /nfs/dbraw/zinc/74/22/64/568742264.db2.gz FPXWBHGUFJHKKO-XNTDXEJSSA-N 0 0 449.934 5.731 50 0 IKAARN COc1ccc(Oc2coc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 ZINC000001940854 568742401 /nfs/dbraw/zinc/74/24/01/568742401.db2.gz BHPDEFWJLVBKAS-UHFFFAOYSA-N 0 0 443.282 6.480 50 0 IKAARN Cc1sc2ncn(CC(=O)N3CCCc4ccccc43)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000001970855 568742423 /nfs/dbraw/zinc/74/24/23/568742423.db2.gz IVDJCSUDPZCMCZ-UHFFFAOYSA-N 0 0 449.963 5.066 50 0 IKAARN CCc1c(C)sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C(=O)OC ZINC000002082056 568742587 /nfs/dbraw/zinc/74/25/87/568742587.db2.gz QYNDJZUTFJASSA-FQEVSTJZSA-N 0 0 425.575 5.878 50 0 IKAARN COc1cc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc(OC)c1OC ZINC000003207481 568742948 /nfs/dbraw/zinc/74/29/48/568742948.db2.gz NXMHBFFJAXRGBE-UHFFFAOYSA-N 0 0 448.906 5.833 50 0 IKAARN COc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 ZINC000003211943 568742959 /nfs/dbraw/zinc/74/29/59/568742959.db2.gz KLHWCIZPLKXNSK-NRFANRHFSA-N 0 0 428.301 6.023 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3C)oc2c(C)c1 ZINC000003206506 568742994 /nfs/dbraw/zinc/74/29/94/568742994.db2.gz HODFBMAEVXGMAI-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN Cc1cccc(C)c1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(=O)NC1CC1 ZINC000003224609 568743108 /nfs/dbraw/zinc/74/31/08/568743108.db2.gz OUTQDSGIAJOYRD-UHFFFAOYSA-N 0 0 439.968 5.467 50 0 IKAARN CC(C)c1ccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003225262 568743123 /nfs/dbraw/zinc/74/31/23/568743123.db2.gz YIQYPRCOIJQGJL-UHFFFAOYSA-N 0 0 430.715 5.331 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1c(Cl)cccc1Cl ZINC000003225735 568743149 /nfs/dbraw/zinc/74/31/49/568743149.db2.gz IMIHGKWNGFQFSX-UHFFFAOYSA-N 0 0 441.270 5.597 50 0 IKAARN CN(C(=O)COc1ccc(Cl)cc1Cl)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000003230747 568743271 /nfs/dbraw/zinc/74/32/71/568743271.db2.gz DFOXJKLDYDKMCR-NRFANRHFSA-N 0 0 440.754 5.523 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](OC(=O)c1cccnc1)c1ccccc1 ZINC000003237367 568743281 /nfs/dbraw/zinc/74/32/81/568743281.db2.gz UGJRUCMHRYFKLM-GOSISDBHSA-N 0 0 434.801 5.291 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1cccc(Cl)c1Cl ZINC000003234531 568743341 /nfs/dbraw/zinc/74/33/41/568743341.db2.gz SZLDLTRFHRNNQZ-UHFFFAOYSA-N 0 0 441.270 5.597 50 0 IKAARN CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003235604 568743346 /nfs/dbraw/zinc/74/33/46/568743346.db2.gz MNLOGFFYSQEWMT-UHFFFAOYSA-N 0 0 435.907 5.490 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)c3sc(C(=O)Oc4ccccc4)c(Cl)c23)cc1 ZINC000003243459 568743487 /nfs/dbraw/zinc/74/34/87/568743487.db2.gz VYTAHAXPPLHOCB-UHFFFAOYSA-N 0 0 444.943 6.935 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc(NC2CC2)c1-c1nc2ccccc2s1 ZINC000003246615 568743549 /nfs/dbraw/zinc/74/35/49/568743549.db2.gz RNYUGKXYJSFCOV-UHFFFAOYSA-N 0 0 425.966 6.066 50 0 IKAARN Cc1cc(C)cc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000003244294 568743553 /nfs/dbraw/zinc/74/35/53/568743553.db2.gz UYCSBLWQJPQXFM-UHFFFAOYSA-N 0 0 443.425 5.256 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)F)cc2)sc2c1CCCC2 ZINC000003251996 568744070 /nfs/dbraw/zinc/74/40/70/568744070.db2.gz VLEYFVJVNVFHTL-UHFFFAOYSA-N 0 0 426.510 5.214 50 0 IKAARN Fc1ccccc1Nc1nnc(SCc2cn3cc(Br)ccc3n2)s1 ZINC000003264550 568744228 /nfs/dbraw/zinc/74/42/28/568744228.db2.gz JPVRTWUALGLVJQ-UHFFFAOYSA-N 0 0 436.335 5.123 50 0 IKAARN COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccco3)sc2Nc2ccccc2)cc1 ZINC000003265809 568744196 /nfs/dbraw/zinc/74/41/96/568744196.db2.gz GYXFXEMHJSMNGJ-UHFFFAOYSA-N 0 0 433.489 5.159 50 0 IKAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000003256510 568744262 /nfs/dbraw/zinc/74/42/62/568744262.db2.gz FWYOFRFRDVJFSE-UHFFFAOYSA-N 0 0 449.816 5.293 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1nc2ccccc2s1 ZINC000003266348 568744467 /nfs/dbraw/zinc/74/44/67/568744467.db2.gz RMBOXFGWGWMZCX-UHFFFAOYSA-N 0 0 449.586 5.336 50 0 IKAARN CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc(Cl)c1-c1ccc(C)cc1 ZINC000003270706 568744649 /nfs/dbraw/zinc/74/46/49/568744649.db2.gz UKPQHFIBAQSIDM-UHFFFAOYSA-N 0 0 434.989 5.368 50 0 IKAARN O=C(Cc1ccc(Br)cc1)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000003271314 568744679 /nfs/dbraw/zinc/74/46/79/568744679.db2.gz UJSRWKSLQDNZRW-UHFFFAOYSA-N 0 0 436.390 5.029 50 0 IKAARN COc1ccc(CCNC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc32)cc1 ZINC000003274502 568744751 /nfs/dbraw/zinc/74/47/51/568744751.db2.gz LNTFDOPAEDUQLH-UHFFFAOYSA-N 0 0 449.601 5.126 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)Nc1ccccc1Cl ZINC000003278849 568744772 /nfs/dbraw/zinc/74/47/72/568744772.db2.gz HESOHDPNKOMXOZ-UHFFFAOYSA-N 0 0 444.963 5.974 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003276486 568744849 /nfs/dbraw/zinc/74/48/49/568744849.db2.gz XJYSDHNHRNMNNU-AWEZNQCLSA-N 0 0 434.542 5.159 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003286472 568744984 /nfs/dbraw/zinc/74/49/84/568744984.db2.gz NFACWHOQOYXRTA-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003282172 568744989 /nfs/dbraw/zinc/74/49/89/568744989.db2.gz XJOXQEYEJDKKMY-UHFFFAOYSA-N 0 0 444.939 7.751 50 0 IKAARN Brc1ccc(OCCSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000003293667 568745352 /nfs/dbraw/zinc/74/53/52/568745352.db2.gz CHNDONJTVSCUBK-UHFFFAOYSA-N 0 0 442.338 5.461 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)o1 ZINC000003297407 568745365 /nfs/dbraw/zinc/74/53/65/568745365.db2.gz KMMFHNANPIJNES-UHFFFAOYSA-N 0 0 439.581 6.030 50 0 IKAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003302318 568745665 /nfs/dbraw/zinc/74/56/65/568745665.db2.gz BMMDKUIWIXLDQG-UHFFFAOYSA-N 0 0 448.249 6.022 50 0 IKAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003315322 568745812 /nfs/dbraw/zinc/74/58/12/568745812.db2.gz GFQQZGDFXVEFHD-UHFFFAOYSA-N 0 0 438.833 5.345 50 0 IKAARN Cc1ccccc1-n1nnnc1S[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003314979 568745885 /nfs/dbraw/zinc/74/58/85/568745885.db2.gz UMZLTGHOTFZNRB-HSZRJFAPSA-N 0 0 425.517 5.168 50 0 IKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(Oc2ccccc2)c1 ZINC000003320032 568746059 /nfs/dbraw/zinc/74/60/59/568746059.db2.gz YHMAUZHBJXHMBA-UHFFFAOYSA-N 0 0 441.556 5.746 50 0 IKAARN O=C(COc1cccc2cccnc21)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003344949 568746473 /nfs/dbraw/zinc/74/64/73/568746473.db2.gz IXJGJRNNDZMYLI-UHFFFAOYSA-N 0 0 429.442 5.261 50 0 IKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1N1CCCC1 ZINC000003336752 568746524 /nfs/dbraw/zinc/74/65/24/568746524.db2.gz SFYXMRSOGFCVBA-UHFFFAOYSA-N 0 0 437.008 6.402 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)-c1ccccc1C2 ZINC000003335374 568746543 /nfs/dbraw/zinc/74/65/43/568746543.db2.gz BGJZGNSGSHLZNZ-UHFFFAOYSA-N 0 0 429.570 5.696 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003338313 568746548 /nfs/dbraw/zinc/74/65/48/568746548.db2.gz SVCHSAVUWINTEW-QGZVFWFLSA-N 0 0 430.533 5.394 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[P@@](=O)(Nc1ccccc1C)N(C)C(c1ccccc1)=N2 ZINC000012559709 568747114 /nfs/dbraw/zinc/74/71/14/568747114.db2.gz SSXKIVUNMDWCGZ-JGCGQSQUSA-N 0 0 441.475 5.443 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccccc1Cl ZINC000003356120 568747119 /nfs/dbraw/zinc/74/71/19/568747119.db2.gz JRRKSIFGJYPALS-UHFFFAOYSA-N 0 0 445.346 6.183 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)cc1 ZINC000044086037 568747330 /nfs/dbraw/zinc/74/73/30/568747330.db2.gz NIPQGBZHZWCCLA-UHFFFAOYSA-N 0 0 425.557 5.529 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1)N1CCCC1 ZINC000044086120 568747378 /nfs/dbraw/zinc/74/73/78/568747378.db2.gz GUTHJJKQNSMDBJ-UHFFFAOYSA-N 0 0 442.382 5.016 50 0 IKAARN Fc1ccc(CSc2ncc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000044086145 568747390 /nfs/dbraw/zinc/74/73/90/568747390.db2.gz ITULNPVBFGCUCD-UHFFFAOYSA-N 0 0 439.353 6.733 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000003368278 568747526 /nfs/dbraw/zinc/74/75/26/568747526.db2.gz CMILICHFDQFFCC-UHFFFAOYSA-N 0 0 439.353 6.013 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087523 568747551 /nfs/dbraw/zinc/74/75/51/568747551.db2.gz WGFLGMIQXFYRRM-UHFFFAOYSA-N 0 0 449.963 5.932 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087570 568747553 /nfs/dbraw/zinc/74/75/53/568747553.db2.gz FOSMFDQTLSAXPJ-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)cc1 ZINC000003368339 568747764 /nfs/dbraw/zinc/74/77/64/568747764.db2.gz WQEQOWSYTILFID-UHFFFAOYSA-N 0 0 449.528 5.461 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C)c3)cc21 ZINC000003368388 568747783 /nfs/dbraw/zinc/74/77/83/568747783.db2.gz CCVBJKBAICCTBD-UHFFFAOYSA-N 0 0 449.956 5.851 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCc2ccccc2)cc1 ZINC000044086656 568747888 /nfs/dbraw/zinc/74/78/88/568747888.db2.gz ONYFXCUVTAAMMY-UHFFFAOYSA-N 0 0 435.390 6.903 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000044086511 568747906 /nfs/dbraw/zinc/74/79/06/568747906.db2.gz GGSMHRGVVOTRDJ-UHFFFAOYSA-N 0 0 427.573 6.195 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccccc2C)cc1 ZINC000044086741 568747917 /nfs/dbraw/zinc/74/79/17/568747917.db2.gz ADQBOVKBJOBPLM-UHFFFAOYSA-N 0 0 443.572 5.896 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2C)cc1 ZINC000044086794 568747941 /nfs/dbraw/zinc/74/79/41/568747941.db2.gz CLQUQDXPJSAPCG-UHFFFAOYSA-N 0 0 447.991 6.540 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000044086468 568747955 /nfs/dbraw/zinc/74/79/55/568747955.db2.gz WJGCZHSMAFMCTP-UHFFFAOYSA-N 0 0 443.572 5.896 50 0 IKAARN COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(OC)c(Cl)c3)c2c1 ZINC000044168115 568749402 /nfs/dbraw/zinc/74/94/02/568749402.db2.gz FKQPGCQAHYZKCJ-UHFFFAOYSA-N 0 0 439.943 5.521 50 0 IKAARN CCOc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)[C@H](C)c2ccccc2)cc1 ZINC000003436312 568749483 /nfs/dbraw/zinc/74/94/83/568749483.db2.gz HYHMWCVSYDQGAO-QGZVFWFLSA-N 0 0 447.959 5.830 50 0 IKAARN COc1ccc(CCSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 ZINC000003434258 568749508 /nfs/dbraw/zinc/74/95/08/568749508.db2.gz JNLBARNYQFZEBU-QHCPKHFHSA-N 0 0 445.544 5.123 50 0 IKAARN Cc1sc2[nH]c(CSCc3ccc4c(c3)OCO4)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012569716 568750151 /nfs/dbraw/zinc/75/01/51/568750151.db2.gz KIIWFEMJDUQXEA-UHFFFAOYSA-N 0 0 436.558 5.431 50 0 IKAARN COc1ccccc1NP(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000012575203 568750631 /nfs/dbraw/zinc/75/06/31/568750631.db2.gz HXYJDQXODRIMAN-ISPAOBMBSA-N 0 0 444.298 7.860 50 0 IKAARN O=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1nc2ccccc2s1 ZINC000003581557 568751065 /nfs/dbraw/zinc/75/10/65/568751065.db2.gz IDZDNKKACYJXLJ-UHFFFAOYSA-N 0 0 447.560 6.169 50 0 IKAARN O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1nc2ccccc2s1 ZINC000003581628 568751107 /nfs/dbraw/zinc/75/11/07/568751107.db2.gz UHNBYWDXHZESAD-UHFFFAOYSA-N 0 0 447.560 6.169 50 0 IKAARN O=C(Nc1ccc(-n2nncc2-c2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000003582236 568751330 /nfs/dbraw/zinc/75/13/30/568751330.db2.gz SPNGWEGSCHWERE-UHFFFAOYSA-N 0 0 437.272 5.088 50 0 IKAARN Fc1cccc(-c2nnc(-c3ccc(OCc4cccc(Br)c4)cc3)o2)c1 ZINC000003619128 568751579 /nfs/dbraw/zinc/75/15/79/568751579.db2.gz YJKRCNDYDYGWSF-UHFFFAOYSA-N 0 0 425.257 5.884 50 0 IKAARN Cc1ccc([C@@H](NC(=O)Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000003615511 568751603 /nfs/dbraw/zinc/75/16/03/568751603.db2.gz YXEJCZYQMDRJOZ-HHHXNRCGSA-N 0 0 439.559 5.638 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000003636397 568752031 /nfs/dbraw/zinc/75/20/31/568752031.db2.gz RVEAHITWNCGAEX-HSZRJFAPSA-N 0 0 434.561 5.204 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000003636619 568752077 /nfs/dbraw/zinc/75/20/77/568752077.db2.gz OAIYXZBHZNZRGH-JTSKRJEESA-N 0 0 448.588 5.376 50 0 IKAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000003636721 568752229 /nfs/dbraw/zinc/75/22/29/568752229.db2.gz NHAJZQUDKTVZIR-ICSRJNTNSA-N 0 0 428.598 5.222 50 0 IKAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(C(C)C)cc3)N2C1=O ZINC000003636798 568752268 /nfs/dbraw/zinc/75/22/68/568752268.db2.gz QRGHJGZLQRGBAF-FYYLOGMGSA-N 0 0 448.588 5.592 50 0 IKAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(Cl)cc3)N2C1=O ZINC000003636811 568752287 /nfs/dbraw/zinc/75/22/87/568752287.db2.gz RZVNHLSMKJNGHO-QUCCMNQESA-N 0 0 440.952 5.122 50 0 IKAARN Cc1cc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)c(Cl)cc1Cl ZINC000044446179 568752476 /nfs/dbraw/zinc/75/24/76/568752476.db2.gz XTIPXRVKRZSNCF-UHFFFAOYSA-N 0 0 427.378 5.149 50 0 IKAARN Cc1c2c3cc(-c4ccc(Br)cc4)cn3nc(C)c2c(C)n1-c1ccc(C)cc1 ZINC000003647557 568752678 /nfs/dbraw/zinc/75/26/78/568752678.db2.gz YMUDPGXQFQNACK-UHFFFAOYSA-N 0 0 444.376 6.941 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@H](CC)C(=O)OC)cc1 ZINC000003658788 568752743 /nfs/dbraw/zinc/75/27/43/568752743.db2.gz APDKFHHHPHAMND-OAQYLSRUSA-N 0 0 447.560 5.530 50 0 IKAARN FC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccccc1)nn2Cc1ccccc1 ZINC000003651656 568752827 /nfs/dbraw/zinc/75/28/27/568752827.db2.gz GMVSYRIALQFBBW-UHFFFAOYSA-N 0 0 429.445 6.832 50 0 IKAARN Cc1cccc(C)c1OCC(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655424 568752986 /nfs/dbraw/zinc/75/29/86/568752986.db2.gz QREWFBVACJLSJP-UHFFFAOYSA-N 0 0 433.891 5.952 50 0 IKAARN CCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)cc2)cc1 ZINC000003655295 568753024 /nfs/dbraw/zinc/75/30/24/568753024.db2.gz HSIOJSIQEPWRLD-UHFFFAOYSA-N 0 0 429.472 5.714 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000003655429 568753037 /nfs/dbraw/zinc/75/30/37/568753037.db2.gz MQKYDPILEJDRRJ-UHFFFAOYSA-N 0 0 427.500 5.915 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000003655383 568753039 /nfs/dbraw/zinc/75/30/39/568753039.db2.gz WPMJKNIGAJKUIZ-UHFFFAOYSA-N 0 0 438.252 5.818 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000003655441 568753043 /nfs/dbraw/zinc/75/30/43/568753043.db2.gz PTXSPSPIGZYFRS-UHFFFAOYSA-N 0 0 427.500 6.485 50 0 IKAARN Cc1cc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)ccc1Cl ZINC000003655509 568753108 /nfs/dbraw/zinc/75/31/08/568753108.db2.gz HUMJOBDVUDNTNT-UHFFFAOYSA-N 0 0 437.854 5.782 50 0 IKAARN Cc1cc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)ccc1Cl ZINC000003655487 568753129 /nfs/dbraw/zinc/75/31/29/568753129.db2.gz PAZVASQSSZIALD-MRXNPFEDSA-N 0 0 433.891 6.032 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000003655514 568753152 /nfs/dbraw/zinc/75/31/52/568753152.db2.gz PACXUSXUMMZGCS-UHFFFAOYSA-N 0 0 427.500 5.979 50 0 IKAARN CCc1ccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc1 ZINC000003655622 568753162 /nfs/dbraw/zinc/75/31/62/568753162.db2.gz DEVZCUNAJROQCI-SFHVURJKSA-N 0 0 427.500 5.941 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655595 568753181 /nfs/dbraw/zinc/75/31/81/568753181.db2.gz FVRXQLOLEWZSBX-UHFFFAOYSA-N 0 0 427.431 6.418 50 0 IKAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655466 568753188 /nfs/dbraw/zinc/75/31/88/568753188.db2.gz IBQDJDWOBUPHIO-CQSZACIVSA-N 0 0 437.854 5.862 50 0 IKAARN C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)c1ccccc1 ZINC000003658685 568753298 /nfs/dbraw/zinc/75/32/98/568753298.db2.gz KHGZSIKEOUGZRS-SFHVURJKSA-N 0 0 425.532 7.080 50 0 IKAARN O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)c1ccccc1 ZINC000003658705 568753306 /nfs/dbraw/zinc/75/33/06/568753306.db2.gz OPSMNCYTKOTBOS-UHFFFAOYSA-N 0 0 439.515 6.202 50 0 IKAARN C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)c1ccccc1 ZINC000003658686 568753316 /nfs/dbraw/zinc/75/33/16/568753316.db2.gz KHGZSIKEOUGZRS-GOSISDBHSA-N 0 0 425.532 7.080 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2S[C@@H](C)c1ccccc1 ZINC000003658718 568753320 /nfs/dbraw/zinc/75/33/20/568753320.db2.gz PWPSLSFRSVEKFT-IBGZPJMESA-N 0 0 437.568 6.949 50 0 IKAARN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)cc1 ZINC000003658683 568753357 /nfs/dbraw/zinc/75/33/57/568753357.db2.gz ILIQYHWESRYIQI-UHFFFAOYSA-N 0 0 425.532 6.827 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccc(C)cc2)cc1 ZINC000003658743 568753589 /nfs/dbraw/zinc/75/35/89/568753589.db2.gz OSZQCTIWUHEQMH-UHFFFAOYSA-N 0 0 437.568 6.697 50 0 IKAARN Clc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1Cl ZINC000003663393 568753596 /nfs/dbraw/zinc/75/35/96/568753596.db2.gz NYIVRZUSKGUDJP-UHFFFAOYSA-N 0 0 447.128 6.465 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2SCc1cccc(C)c1 ZINC000003658729 568753609 /nfs/dbraw/zinc/75/36/09/568753609.db2.gz PDAUCNXGOMBQDV-UHFFFAOYSA-N 0 0 437.568 6.697 50 0 IKAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000003663220 568753660 /nfs/dbraw/zinc/75/36/60/568753660.db2.gz BNFXXAUOGUMVPK-STZFKDTASA-N 0 0 434.289 5.373 50 0 IKAARN O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)NC(=S)N1C1CCCCC1 ZINC000003667705 568753896 /nfs/dbraw/zinc/75/38/96/568753896.db2.gz HWBRUFSPVZXJEM-STZFKDTASA-N 0 0 426.969 5.309 50 0 IKAARN O=C1N[C@@H](c2cccc(OCc3ccccc3)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000003666634 568753931 /nfs/dbraw/zinc/75/39/31/568753931.db2.gz LAUPQMQIHPFGTH-NRFANRHFSA-N 0 0 445.569 5.701 50 0 IKAARN Clc1ccc(CSc2nn3c(SCc4ccc(Cl)cc4)nnc3s2)cc1 ZINC000003669077 568754112 /nfs/dbraw/zinc/75/41/12/568754112.db2.gz BEXJKJRPHBXKSZ-UHFFFAOYSA-N 0 0 439.418 6.077 50 0 IKAARN O=C(Oc1cccc(/C=C2/N=C(c3cc(Cl)ccc3Cl)OC2=O)c1)c1ccccc1 ZINC000003672210 568754128 /nfs/dbraw/zinc/75/41/28/568754128.db2.gz ZOSMDNNZZKSTQY-UDWIEESQSA-N 0 0 438.266 5.557 50 0 IKAARN Fc1ccc(-c2csc(-n3nc(-c4ccc5ccccc5c4)cc3C(F)(F)F)n2)cc1 ZINC000003765729 568754264 /nfs/dbraw/zinc/75/42/64/568754264.db2.gz BBXOGEBAZUQTTI-UHFFFAOYSA-N 0 0 439.437 6.974 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccccc1F ZINC000003764834 568754451 /nfs/dbraw/zinc/75/44/51/568754451.db2.gz HZVJVTDUFAGSAO-AREMUKBSSA-N 0 0 446.566 6.175 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccccc1F ZINC000003764835 568754456 /nfs/dbraw/zinc/75/44/56/568754456.db2.gz HZVJVTDUFAGSAO-SANMLTNESA-N 0 0 446.566 6.175 50 0 IKAARN COc1ccc2ccccc2c1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000003767934 568754476 /nfs/dbraw/zinc/75/44/76/568754476.db2.gz OVVAEPSQOYKIAE-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN CC(=O)Nc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000003770979 568754601 /nfs/dbraw/zinc/75/46/01/568754601.db2.gz CVCONDHAAFKXHA-HHHXNRCGSA-N 0 0 432.479 6.087 50 0 IKAARN O[C@H](Cn1cnc(-c2ccccc2)c1-c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000003832882 568754613 /nfs/dbraw/zinc/75/46/13/568754613.db2.gz IMXAMQHNOFGLIC-XMMPIXPASA-N 0 0 443.550 6.386 50 0 IKAARN COc1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1NC(C)(C)C=C2C ZINC000003878840 568754785 /nfs/dbraw/zinc/75/47/85/568754785.db2.gz KSSXMCVOQLNJQD-UHFFFAOYSA-N 0 0 445.606 7.685 50 0 IKAARN Cc1cccc(C(=O)N[C@@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)c1 ZINC000003880683 568754879 /nfs/dbraw/zinc/75/48/79/568754879.db2.gz FYDZXSKSVCPIHD-OAHLLOKOSA-N 0 0 425.665 5.552 50 0 IKAARN CSc1ncc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000015318047 568758171 /nfs/dbraw/zinc/75/81/71/568758171.db2.gz CWHBZAYIHYUDSZ-UHFFFAOYSA-N 0 0 427.835 5.240 50 0 IKAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000015317946 568758173 /nfs/dbraw/zinc/75/81/73/568758173.db2.gz WLEJROOPHDOLSU-UHFFFAOYSA-N 0 0 432.376 5.189 50 0 IKAARN O=c1[nH]c(C(Cl)=Cc2ccc(-c3ccc(Br)cc3)o2)nc2ccccc12 ZINC000015349897 568758532 /nfs/dbraw/zinc/75/85/32/568758532.db2.gz PAAJPUFNQAATJO-WJDWOHSUSA-N 0 0 427.685 5.683 50 0 IKAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004025833 568758728 /nfs/dbraw/zinc/75/87/28/568758728.db2.gz NZDFRHCQINXFLI-FCJSEGOFSA-N 0 0 428.613 5.800 50 0 biogenic IKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000031886264 568759022 /nfs/dbraw/zinc/75/90/22/568759022.db2.gz FCBCUPQSANFYFC-UHFFFAOYSA-N 0 0 426.451 5.665 50 0 IKAARN Cc1ccc(C(=O)N[C@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001232106 568759141 /nfs/dbraw/zinc/75/91/41/568759141.db2.gz GXNMOXXFEVZQDY-QGZVFWFLSA-N 0 0 444.815 5.025 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(I)cc1F ZINC000001231740 568759157 /nfs/dbraw/zinc/75/91/57/568759157.db2.gz BPSYTPKLEOOYCP-UHFFFAOYSA-N 0 0 425.028 5.381 50 0 IKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2cccc(F)c2)n1Cc1ccccc1 ZINC000073686194 568759711 /nfs/dbraw/zinc/75/97/11/568759711.db2.gz DAQGICDJIPPIPL-UHFFFAOYSA-N 0 0 441.531 5.871 50 0 IKAARN Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2cccc(C)c2)c1 ZINC000073690831 568760091 /nfs/dbraw/zinc/76/00/91/568760091.db2.gz DYXVGRBOGBAYMH-UHFFFAOYSA-N 0 0 437.568 6.290 50 0 IKAARN Cc1ccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CC[C@H](C)C3)cc1 ZINC000004062400 568760100 /nfs/dbraw/zinc/76/01/00/568760100.db2.gz CWJOTOIEPVJOEW-INIZCTEOSA-N 0 0 435.618 6.243 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(OC(F)(F)F)cc1 ZINC000031952014 568760120 /nfs/dbraw/zinc/76/01/20/568760120.db2.gz IKCCANNBQLTDCY-LBPRGKRZSA-N 0 0 440.368 5.328 50 0 IKAARN COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1OC ZINC000004073366 568760446 /nfs/dbraw/zinc/76/04/46/568760446.db2.gz KKSMWVZGZWUOSG-IZZNHLLZSA-N 0 0 433.633 5.700 50 0 biogenic IKAARN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004073276 568760495 /nfs/dbraw/zinc/76/04/95/568760495.db2.gz WAIQWYALYSCYLA-OJGVMHKXSA-N 0 0 426.729 8.455 50 0 biogenic IKAARN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000001234479 568760598 /nfs/dbraw/zinc/76/05/98/568760598.db2.gz AZCPYMPHQQNSBI-UHFFFAOYSA-N 0 0 439.533 5.067 50 0 IKAARN O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587968 568760793 /nfs/dbraw/zinc/76/07/93/568760793.db2.gz NQZVQDCUEBZEFS-LJQANCHMSA-N 0 0 436.433 6.062 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000001240312 568774484 /nfs/dbraw/zinc/77/44/84/568774484.db2.gz NQOFAJOEIOWIAU-GOSISDBHSA-N 0 0 429.701 5.687 50 0 IKAARN COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001249248 568774852 /nfs/dbraw/zinc/77/48/52/568774852.db2.gz IZXUGOAZAGFNAM-QGZVFWFLSA-N 0 0 430.595 5.054 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(OC(C)C)cc4)nc(N)c23)CO1 ZINC000001251079 568775012 /nfs/dbraw/zinc/77/50/12/568775012.db2.gz OTONTUOQWKIAFN-QFIPXVFZSA-N 0 0 429.611 5.594 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000001251784 568775143 /nfs/dbraw/zinc/77/51/43/568775143.db2.gz YIEMXTVUEZVCND-LJQANCHMSA-N 0 0 439.309 5.351 50 0 IKAARN COc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000001254425 568775164 /nfs/dbraw/zinc/77/51/64/568775164.db2.gz IFMZZZWTDXEPCS-JOCHJYFZSA-N 0 0 445.906 5.790 50 0 IKAARN O=C(CS[C@@H]1c2ccccc2C(=O)N1Cc1cccs1)NCc1ccc(Cl)cc1 ZINC000004108837 568775546 /nfs/dbraw/zinc/77/55/46/568775546.db2.gz JSTIUUIHALKMQM-JOCHJYFZSA-N 0 0 442.993 5.106 50 0 IKAARN CC(C)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263615115 568775819 /nfs/dbraw/zinc/77/58/19/568775819.db2.gz APILYPKOAVPIFL-OAQYLSRUSA-N 0 0 436.899 5.312 50 0 IKAARN CC(C)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263615114 568775844 /nfs/dbraw/zinc/77/58/44/568775844.db2.gz APILYPKOAVPIFL-NRFANRHFSA-N 0 0 436.899 5.312 50 0 IKAARN Cc1ccc(NC(=O)N(O)[C@@H]2N(c3ccc(C)cc3)C(=O)N(C3CCCC3)C2(C)C)cc1 ZINC000001278390 568776005 /nfs/dbraw/zinc/77/60/05/568776005.db2.gz VJEBRRFJUZARAN-QFIPXVFZSA-N 0 0 436.556 5.516 50 0 IKAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1 ZINC000263617532 568777243 /nfs/dbraw/zinc/77/72/43/568777243.db2.gz OGRNPADGHDRIKR-KRWDZBQOSA-N 0 0 430.361 5.030 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263619693 568778436 /nfs/dbraw/zinc/77/84/36/568778436.db2.gz ZZUFYBYOBIFEIS-SFHVURJKSA-N 0 0 446.816 5.544 50 0 IKAARN CCCN1C(=O)c2ccccc2N(C(=O)Nc2ccccc2)[C@H]1c1cccc(OC)c1OC ZINC000001293528 568778622 /nfs/dbraw/zinc/77/86/22/568778622.db2.gz CTEXEUHERDPVHI-DEOSSOPVSA-N 0 0 445.519 5.307 50 0 biogenic IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C ZINC000001298126 568778809 /nfs/dbraw/zinc/77/88/09/568778809.db2.gz XXDRSVFODXQWQP-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)Nc3ccccn3)c2c2c1CCCC2 ZINC000001302917 568779173 /nfs/dbraw/zinc/77/91/73/568779173.db2.gz AECBAPOEOQHXAG-UHFFFAOYSA-N 0 0 449.605 5.368 50 0 IKAARN O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000001304579 568779236 /nfs/dbraw/zinc/77/92/36/568779236.db2.gz OMSYEFCKWZGHNX-KGTQDBRDSA-N 0 0 446.450 5.327 50 0 IKAARN CC(C)(C)c1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000004118530 568779640 /nfs/dbraw/zinc/77/96/40/568779640.db2.gz WHORTNKROLTZLD-XMMPIXPASA-N 0 0 441.377 7.786 50 0 IKAARN Fc1cccc(F)c1CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004145350 568781918 /nfs/dbraw/zinc/78/19/18/568781918.db2.gz YEYYVHUHCUYDFY-UHFFFAOYSA-N 0 0 448.420 5.919 50 0 IKAARN Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000004145359 568781932 /nfs/dbraw/zinc/78/19/32/568781932.db2.gz VSVMMYOANSMNOW-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN Fc1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000004144648 568781935 /nfs/dbraw/zinc/78/19/35/568781935.db2.gz YYZVZWZLQCLWOA-UHFFFAOYSA-N 0 0 448.420 5.919 50 0 IKAARN Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004144645 568781946 /nfs/dbraw/zinc/78/19/46/568781946.db2.gz WCIKTROPWBFURM-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN C[C@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000248380214 568782600 /nfs/dbraw/zinc/78/26/00/568782600.db2.gz PHMCJPPPGLNKGP-KSSFIOAISA-N 0 0 444.398 5.073 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000045942436 568783604 /nfs/dbraw/zinc/78/36/04/568783604.db2.gz DRSPGKLBFNEDRW-OAQYLSRUSA-N 0 0 438.296 5.954 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045942479 568783647 /nfs/dbraw/zinc/78/36/47/568783647.db2.gz PORNNMRCAQUTBU-OAQYLSRUSA-N 0 0 436.305 5.515 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942201 568783648 /nfs/dbraw/zinc/78/36/48/568783648.db2.gz PORCATRCAGZRFB-AREMUKBSSA-N 0 0 443.612 6.893 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942616 568783650 /nfs/dbraw/zinc/78/36/50/568783650.db2.gz SGWQRPHIJDKOPK-HSZRJFAPSA-N 0 0 435.426 5.055 50 0 IKAARN CCCCCc1ccc(OCCCC(=O)Nc2ccc(Cl)c(N)c2)c(CCCCC)c1 ZINC000004577589 568783861 /nfs/dbraw/zinc/78/38/61/568783861.db2.gz LLSPRHMXUPNUFX-UHFFFAOYSA-N 0 0 445.047 7.185 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nnc(COc2ccc(Cl)cc2)o1 ZINC000001385330 568784341 /nfs/dbraw/zinc/78/43/41/568784341.db2.gz XTJMLYSNXUTNFV-UHFFFAOYSA-N 0 0 436.682 6.239 50 0 IKAARN Nc1c(-c2ccc(Cl)cc2)cnc2nc(SCc3c(Cl)cccc3Cl)nn21 ZINC000001384816 568784363 /nfs/dbraw/zinc/78/43/63/568784363.db2.gz JGKGLUNSIUYKCW-UHFFFAOYSA-N 0 0 436.755 5.626 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1ccc(-n2nc3c(c2-c2ccccc2F)CCCC3)cc1 ZINC000001386303 568784517 /nfs/dbraw/zinc/78/45/17/568784517.db2.gz KQXMUKGRSKAJDR-UHFFFAOYSA-N 0 0 443.497 5.626 50 0 IKAARN Cc1ccc(SCC(=O)c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)cc1 ZINC000001386084 568784626 /nfs/dbraw/zinc/78/46/26/568784626.db2.gz HMROTAXNTQNBJR-UHFFFAOYSA-N 0 0 441.927 6.690 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000001387993 568784697 /nfs/dbraw/zinc/78/46/97/568784697.db2.gz VOBWZNKQCHFWPZ-UHFFFAOYSA-N 0 0 431.201 5.342 50 0 IKAARN C[C@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000001388759 568784701 /nfs/dbraw/zinc/78/47/01/568784701.db2.gz OCBWAOBMYRODIL-INIZCTEOSA-N 0 0 428.164 5.123 50 0 IKAARN Cn1nc(C(F)(F)F)c(COC(=O)Nc2ccc(Cl)cc2)c1Sc1ccccc1 ZINC000001388114 568784746 /nfs/dbraw/zinc/78/47/46/568784746.db2.gz CZLQKFMUGQFDRN-UHFFFAOYSA-N 0 0 441.862 5.992 50 0 IKAARN COC1CCN(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)CC1 ZINC000083897745 568784863 /nfs/dbraw/zinc/78/48/63/568784863.db2.gz JWTILWWCLNWMEN-UHFFFAOYSA-N 0 0 448.292 5.039 50 0 IKAARN COc1cccc2c1OCC(C(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)=C2 ZINC000001391461 568785125 /nfs/dbraw/zinc/78/51/25/568785125.db2.gz VKWVOXUURGPHJG-UHFFFAOYSA-N 0 0 434.197 5.315 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNS(=O)(=O)c1ccccc1Cl ZINC000001390521 568785221 /nfs/dbraw/zinc/78/52/21/568785221.db2.gz JXCGAPBPGLTNOG-UHFFFAOYSA-N 0 0 446.903 5.269 50 0 IKAARN O=C(CSc1cc(Cl)ccc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001392131 568785338 /nfs/dbraw/zinc/78/53/38/568785338.db2.gz QGRJYLCSWCFTJG-UHFFFAOYSA-N 0 0 429.781 6.501 50 0 IKAARN O=C(CSc1c(Cl)cccc1Cl)Nc1nc(-c2ccccc2Cl)cs1 ZINC000001392108 568785388 /nfs/dbraw/zinc/78/53/88/568785388.db2.gz XNALVVIDNFLPCU-UHFFFAOYSA-N 0 0 429.781 6.501 50 0 IKAARN CC(=O)Nc1ccc(Sc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)cn1 ZINC000001393879 568785460 /nfs/dbraw/zinc/78/54/60/568785460.db2.gz MFGYUIAFOHHTBZ-UHFFFAOYSA-N 0 0 445.466 5.140 50 0 IKAARN CCS(=O)(=O)c1ccc(-c2cnc(-c3ccc(OC)cc3)s2)c(Cl)c1Cl ZINC000001393808 568785476 /nfs/dbraw/zinc/78/54/76/568785476.db2.gz INBNBQFUBFISKU-UHFFFAOYSA-N 0 0 428.362 5.586 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H](CSc3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 ZINC000001394095 568785501 /nfs/dbraw/zinc/78/55/01/568785501.db2.gz DXGAUROYEGPQDM-FCHUYYIVSA-N 0 0 438.390 6.254 50 0 IKAARN O=C1c2ccccc2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 ZINC000001393743 568785509 /nfs/dbraw/zinc/78/55/09/568785509.db2.gz KEQGLDSQSVMLGX-UHFFFAOYSA-N 0 0 429.479 5.489 50 0 IKAARN COc1cc(C(=O)N(c2cccc(Br)c2)C2CCCCC2)cc(OC)c1OC ZINC000083921360 568785720 /nfs/dbraw/zinc/78/57/20/568785720.db2.gz ZWYPMLAJTFGZIU-UHFFFAOYSA-N 0 0 448.357 5.454 50 0 IKAARN O=c1[nH]nc(CNc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c2ccccc12 ZINC000001395960 568785854 /nfs/dbraw/zinc/78/58/54/568785854.db2.gz DRYHVEKKUHWORM-UHFFFAOYSA-N 0 0 446.816 5.395 50 0 IKAARN O=C(c1cnc(Nc2ccc(Cl)c(Cl)c2)s1)c1ccc(Br)cc1 ZINC000001399989 568785956 /nfs/dbraw/zinc/78/59/56/568785956.db2.gz ZYJLMDVQKCOYCL-UHFFFAOYSA-N 0 0 428.138 6.187 50 0 IKAARN COc1cc2nc(SCc3ccc(Cl)cc3Cl)n3nc(C)nc3c2cc1OC ZINC000001396386 568786039 /nfs/dbraw/zinc/78/60/39/568786039.db2.gz KFWCNCRUULYQIU-UHFFFAOYSA-N 0 0 435.336 5.202 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000001396416 568786089 /nfs/dbraw/zinc/78/60/89/568786089.db2.gz XBWKGWYOXZUYGF-UHFFFAOYSA-N 0 0 440.343 5.187 50 0 IKAARN O=C(Nc1sccc1OCc1ccccc1)Nc1sccc1OCc1ccccc1 ZINC000001396553 568786118 /nfs/dbraw/zinc/78/61/18/568786118.db2.gz XCWDAZICWAVSKM-UHFFFAOYSA-N 0 0 436.558 6.612 50 0 IKAARN Cc1cccc(C)c1NC(=O)Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21 ZINC000001400794 568786306 /nfs/dbraw/zinc/78/63/06/568786306.db2.gz SYHVHXUHNAXRMX-UHFFFAOYSA-N 0 0 435.980 6.238 50 0 IKAARN CCOC(=O)c1c(-n2cccc2)c2ccccc2n1-c1ncc(C(F)(F)F)cc1Cl ZINC000001400596 568786351 /nfs/dbraw/zinc/78/63/51/568786351.db2.gz BRKCTNLMFCEXOD-UHFFFAOYSA-N 0 0 433.817 5.665 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1nc(C)n(-c2cc(OC)c(Cl)cc2Cl)n1 ZINC000001400989 568786357 /nfs/dbraw/zinc/78/63/57/568786357.db2.gz KBUYRODPYLCOIV-UHFFFAOYSA-N 0 0 433.339 5.268 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001401659 568786494 /nfs/dbraw/zinc/78/64/94/568786494.db2.gz SYTZROGSLLFNAF-UHFFFAOYSA-N 0 0 430.305 5.825 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000001401601 568786551 /nfs/dbraw/zinc/78/65/51/568786551.db2.gz UGYYWBWTMVKCLA-UHFFFAOYSA-N 0 0 442.228 6.190 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl ZINC000001404547 568786682 /nfs/dbraw/zinc/78/66/82/568786682.db2.gz HFMFPBBDXVCIFZ-UHFFFAOYSA-N 0 0 426.243 5.058 50 0 IKAARN Cc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000001405069 568786873 /nfs/dbraw/zinc/78/68/73/568786873.db2.gz DITRXCHDIIXPOG-UHFFFAOYSA-N 0 0 439.338 5.302 50 0 IKAARN O=S(=O)(Nc1cccc(COCc2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000001405925 568787145 /nfs/dbraw/zinc/78/71/45/568787145.db2.gz IWVZUUMNBJAZMF-UHFFFAOYSA-N 0 0 439.430 5.362 50 0 IKAARN CC(=O)c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 ZINC000000959378 568787748 /nfs/dbraw/zinc/78/77/48/568787748.db2.gz WERPJVVGMKAMDC-UHFFFAOYSA-N 0 0 425.278 5.303 50 0 IKAARN COc1ccc(N(C(=O)c2ccc(C)cc2)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000001410276 568787859 /nfs/dbraw/zinc/78/78/59/568787859.db2.gz UMBSNQDSANCFMN-UHFFFAOYSA-N 0 0 430.548 5.685 50 0 IKAARN CS(=O)(=O)c1c2nc3ccccc3nc2n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000001410402 568787884 /nfs/dbraw/zinc/78/78/84/568787884.db2.gz BFBPZYPKRXSWAK-UHFFFAOYSA-N 0 0 433.920 5.298 50 0 IKAARN C[S@@](=O)C[C@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc21)c1ccccc1 ZINC000083990089 568788749 /nfs/dbraw/zinc/78/87/49/568788749.db2.gz SYQUHSZXRHZGGI-JMQGSBJISA-N 0 0 427.982 5.543 50 0 IKAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000084028870 568790101 /nfs/dbraw/zinc/79/01/01/568790101.db2.gz VLWZHADCFBNYSA-UHFFFAOYSA-N 0 0 441.453 5.165 50 0 IKAARN CCOc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(OC)cc4)cs3)n2)cc1 ZINC000001413647 568790431 /nfs/dbraw/zinc/79/04/31/568790431.db2.gz ZZZZIFZSKZBHGE-UHFFFAOYSA-N 0 0 445.466 6.089 50 0 IKAARN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004194041 568790545 /nfs/dbraw/zinc/79/05/45/568790545.db2.gz NOLLIEQHBFBVNA-HHHXNRCGSA-N 0 0 428.576 5.892 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Oc2ccccc2)cc1 ZINC000001415598 568790632 /nfs/dbraw/zinc/79/06/32/568790632.db2.gz CQHKQZVCURFXQB-UHFFFAOYSA-N 0 0 432.530 5.467 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025900092 568790761 /nfs/dbraw/zinc/79/07/61/568790761.db2.gz BFXYSUVVUGHRGQ-ZEQKJWHPSA-N 0 0 428.557 5.186 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025900086 568790849 /nfs/dbraw/zinc/79/08/49/568790849.db2.gz BFXYSUVVUGHRGQ-JYFHCDHNSA-N 0 0 428.557 5.186 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1cccc(C(F)(F)F)c1 ZINC000001424693 568793775 /nfs/dbraw/zinc/79/37/75/568793775.db2.gz GWGSPMHEJJYNKD-IBGZPJMESA-N 0 0 449.476 5.818 50 0 IKAARN COc1ccc(-c2oc(=O)n(CCc3ccc(Cl)cc3)c2-c2ccc(OC)cc2)cc1 ZINC000001427302 568793935 /nfs/dbraw/zinc/79/39/35/568793935.db2.gz WVIOPNLRCBRYHC-UHFFFAOYSA-N 0 0 435.907 5.689 50 0 IKAARN CCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C[C@H](C)CC ZINC000004781018 568793951 /nfs/dbraw/zinc/79/39/51/568793951.db2.gz LJIFXAOVVHMLES-OAQYLSRUSA-N 0 0 428.642 5.732 50 0 IKAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc(-n2cc(Br)cn2)cc1 ZINC000001428996 568794147 /nfs/dbraw/zinc/79/41/47/568794147.db2.gz LFAYWYRWJAVCNN-UHFFFAOYSA-N 0 0 426.097 5.299 50 0 IKAARN Cc1nn2c(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nnc2c2ccccc12 ZINC000001431634 568794814 /nfs/dbraw/zinc/79/48/14/568794814.db2.gz XYDXUANCHZGAIC-UHFFFAOYSA-N 0 0 443.894 5.071 50 0 IKAARN Cc1sc(NC(=O)c2cnc(Cl)c(Cl)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000019206078 568795113 /nfs/dbraw/zinc/79/51/13/568795113.db2.gz DJNUKLVLBJDUTH-UHFFFAOYSA-N 0 0 430.263 5.674 50 0 IKAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccccc1Br ZINC000012752811 568795653 /nfs/dbraw/zinc/79/56/53/568795653.db2.gz UDKQHYOBRQRNHD-LBPRGKRZSA-N 0 0 444.354 5.200 50 0 IKAARN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000084219732 568796244 /nfs/dbraw/zinc/79/62/44/568796244.db2.gz XGSFEAGGDWQRHR-QHCPKHFHSA-N 0 0 445.563 6.387 50 0 IKAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 ZINC000084363765 568797298 /nfs/dbraw/zinc/79/72/98/568797298.db2.gz RHXIOUPFWSUEBZ-OCCSQVGLSA-N 0 0 443.263 5.487 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cccnc1Nc1cccc(F)c1 ZINC000084372639 568797536 /nfs/dbraw/zinc/79/75/36/568797536.db2.gz PWWOTMLHKBBZSS-UHFFFAOYSA-N 0 0 434.858 6.057 50 0 IKAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)N1CCC[C@H]1c1ccncc1 ZINC000084419504 568797865 /nfs/dbraw/zinc/79/78/65/568797865.db2.gz RDMWOZGJLLKASA-IBGZPJMESA-N 0 0 426.314 5.151 50 0 IKAARN O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000084444904 568797905 /nfs/dbraw/zinc/79/79/05/568797905.db2.gz GGEIUPYRMPFUNL-UHFFFAOYSA-N 0 0 444.438 5.742 50 0 IKAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1csc(-c2ccco2)n1 ZINC000084432922 568797957 /nfs/dbraw/zinc/79/79/57/568797957.db2.gz TTYCYOITJHOJAE-UHFFFAOYSA-N 0 0 446.315 5.172 50 0 IKAARN O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000084600577 568799231 /nfs/dbraw/zinc/79/92/31/568799231.db2.gz IYEQDVLUTKABIV-VIFPVBQESA-N 0 0 447.174 6.282 50 0 IKAARN C[C@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccc2c(c1)CC(=O)N2 ZINC000084651718 568799503 /nfs/dbraw/zinc/79/95/03/568799503.db2.gz PVJFJLXRZDQARR-QMMMGPOBSA-N 0 0 439.751 5.847 50 0 IKAARN COc1cc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c(OC)cc1Cl ZINC000015611171 568799614 /nfs/dbraw/zinc/79/96/14/568799614.db2.gz QQJIPMWBUJFNMG-UHFFFAOYSA-N 0 0 448.928 5.059 50 0 IKAARN C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1nc2ccccc2n1C(F)F ZINC000084667842 568799827 /nfs/dbraw/zinc/79/98/27/568799827.db2.gz HTIKKYOBIJUTPH-LURJTMIESA-N 0 0 435.645 5.287 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000084691739 568799954 /nfs/dbraw/zinc/79/99/54/568799954.db2.gz VLTGEFMKVGXGSH-RYUDHWBXSA-N 0 0 440.758 5.697 50 0 IKAARN COc1cc(Br)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C)cc1OC ZINC000084718143 568800229 /nfs/dbraw/zinc/80/02/29/568800229.db2.gz AUASKKNSDJZTJV-LBPRGKRZSA-N 0 0 444.329 5.099 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4nccs4)sc3c2)cc1 ZINC000015669769 568802122 /nfs/dbraw/zinc/80/21/22/568802122.db2.gz MTDOAMNGMPPTBN-UHFFFAOYSA-N 0 0 440.575 5.044 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671839 568802767 /nfs/dbraw/zinc/80/27/67/568802767.db2.gz SMPVYHFZKFMBJP-UHFFFAOYSA-N 0 0 439.458 6.186 50 0 biogenic IKAARN CCOc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2Cl)cc1 ZINC000015671468 568802796 /nfs/dbraw/zinc/80/27/96/568802796.db2.gz JWRAZYOEMZJSTF-UHFFFAOYSA-N 0 0 443.934 5.839 50 0 IKAARN COc1ccccc1-n1cc2c(c(=O)n(-c3ccccc3)n2C)c1-c1ccc(Cl)cc1 ZINC000015671465 568802831 /nfs/dbraw/zinc/80/28/31/568802831.db2.gz RQFVWUXSMFDCJL-UHFFFAOYSA-N 0 0 429.907 5.449 50 0 IKAARN CCN1c2cc(NC(=O)Nc3cc(OC)ccc3OC)ccc2Sc2ccccc2C1=O ZINC000015671893 568803068 /nfs/dbraw/zinc/80/30/68/568803068.db2.gz PKMZYSKQDCJOAR-UHFFFAOYSA-N 0 0 449.532 5.479 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000015672682 568803173 /nfs/dbraw/zinc/80/31/73/568803173.db2.gz NPKPHNUKIBBUBN-STTRJGPESA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000015672659 568803223 /nfs/dbraw/zinc/80/32/23/568803223.db2.gz AQAJTWDTAHUYGH-CMPWMSKVSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000015672445 568803331 /nfs/dbraw/zinc/80/33/31/568803331.db2.gz VLYFGPMYOYHNRY-MKTSZQRWSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1c(C(=O)N(Cc2ccco2)C2CCCCC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000015675270 568803647 /nfs/dbraw/zinc/80/36/47/568803647.db2.gz GTEFGVXLKHLXSF-UHFFFAOYSA-N 0 0 439.581 5.061 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)c(C)c1 ZINC000015675477 568803656 /nfs/dbraw/zinc/80/36/56/568803656.db2.gz KHAOEBMRXOGPLK-MHZLTWQESA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)c1C ZINC000015675451 568803736 /nfs/dbraw/zinc/80/37/36/568803736.db2.gz MBRGMYMMDMMZQO-HHHXNRCGSA-N 0 0 447.579 5.499 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1C ZINC000015675489 568803813 /nfs/dbraw/zinc/80/38/13/568803813.db2.gz CDPMPYFWTYATCM-MHZLTWQESA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(c2ccc(C)cc2C)C3=O)o1 ZINC000015675905 568804003 /nfs/dbraw/zinc/80/40/03/568804003.db2.gz NKUHFOZSJXURCP-HHHXNRCGSA-N 0 0 447.579 5.418 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(c2cc(C)cc(C)c2)C3=O)o1 ZINC000015675913 568804019 /nfs/dbraw/zinc/80/40/19/568804019.db2.gz SYIAERWLLGWJGA-HHHXNRCGSA-N 0 0 447.579 5.418 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676999 568804305 /nfs/dbraw/zinc/80/43/05/568804305.db2.gz YETYZZKWGYRAON-HHHXNRCGSA-N 0 0 429.564 5.208 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCCC1 ZINC000015677006 568804343 /nfs/dbraw/zinc/80/43/43/568804343.db2.gz RZOPRCPTZODWAW-MHZLTWQESA-N 0 0 435.612 5.418 50 0 IKAARN [O-][n+]1onc2c1c(-c1ccc(Cl)c(Cl)c1)nnc2-c1ccc(Cl)c(Cl)c1 ZINC000001437226 568804375 /nfs/dbraw/zinc/80/43/75/568804375.db2.gz SFPUKYCQHVUKCB-UHFFFAOYSA-N 0 0 428.062 5.199 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015676988 568804431 /nfs/dbraw/zinc/80/44/31/568804431.db2.gz QOSQEJNTFODMCG-MHZLTWQESA-N 0 0 429.564 5.208 50 0 IKAARN O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)N[C@@H]1CCCc2ccccc21 ZINC000015678351 568804722 /nfs/dbraw/zinc/80/47/22/568804722.db2.gz YCPYLCLCFYLHCH-AREMUKBSSA-N 0 0 426.535 5.955 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000015678332 568804739 /nfs/dbraw/zinc/80/47/39/568804739.db2.gz WPWZKFVUHNSMJR-UHFFFAOYSA-N 0 0 444.550 5.865 50 0 IKAARN CCOc1ccc(CNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000015678383 568804766 /nfs/dbraw/zinc/80/47/66/568804766.db2.gz LEKVYGRUPDBBFI-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN COc1ccc(CNC(=O)CCc2cn(Cc3cc(C)ccc3C)c3ccccc23)cc1 ZINC000015678445 568805178 /nfs/dbraw/zinc/80/51/78/568805178.db2.gz QXFPSRFYTYEECF-UHFFFAOYSA-N 0 0 426.560 5.564 50 0 IKAARN CCOc1ccccc1CNC(=O)CCc1cn(Cc2cc(C)ccc2C)c2ccccc12 ZINC000015678455 568805257 /nfs/dbraw/zinc/80/52/57/568805257.db2.gz VYLHBYAIBNHBAD-UHFFFAOYSA-N 0 0 440.587 5.954 50 0 IKAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1Cc1cccc(C(F)(F)F)c1 ZINC000015680336 568806094 /nfs/dbraw/zinc/80/60/94/568806094.db2.gz QETNFAQOBRHGGC-UHFFFAOYSA-N 0 0 438.471 5.522 50 0 IKAARN COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c(OC)c1 ZINC000015680941 568806307 /nfs/dbraw/zinc/80/63/07/568806307.db2.gz OBPPEEYVOOXBSD-UHFFFAOYSA-N 0 0 425.916 5.199 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682102 568806807 /nfs/dbraw/zinc/80/68/07/568806807.db2.gz NTZAAPWQLJPQLQ-UHFFFAOYSA-N 0 0 446.934 6.121 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)nc1COc1ccccc1 ZINC000015682079 568806879 /nfs/dbraw/zinc/80/68/79/568806879.db2.gz IOXZKJDIFMLQKW-IBGZPJMESA-N 0 0 426.516 5.763 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)nc1COc1ccc(C)cc1 ZINC000015682096 568806891 /nfs/dbraw/zinc/80/68/91/568806891.db2.gz XEWTYLPIGQGETR-UHFFFAOYSA-N 0 0 446.934 6.121 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682133 568807015 /nfs/dbraw/zinc/80/70/15/568807015.db2.gz QNFFRXAWCWEOJO-UHFFFAOYSA-N 0 0 430.548 6.158 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc1CSc1ccccc1 ZINC000015682238 568807016 /nfs/dbraw/zinc/80/70/16/568807016.db2.gz HRGRACPMLLTANA-UHFFFAOYSA-N 0 0 432.520 6.011 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)nc1CSc1ccccc1 ZINC000015682213 568807062 /nfs/dbraw/zinc/80/70/62/568807062.db2.gz WGRZOBADEKRLQS-UHFFFAOYSA-N 0 0 448.975 6.526 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)nc1CSc1ccccc1 ZINC000015682243 568807093 /nfs/dbraw/zinc/80/70/93/568807093.db2.gz AWEAUVINDFUJIQ-UHFFFAOYSA-N 0 0 432.589 6.563 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682178 568807139 /nfs/dbraw/zinc/80/71/39/568807139.db2.gz CFISPNABPKECFI-UHFFFAOYSA-N 0 0 442.584 6.489 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)nc1CSc1ccccc1 ZINC000015682240 568807162 /nfs/dbraw/zinc/80/71/62/568807162.db2.gz XFINGXDSGUXSHD-LJQANCHMSA-N 0 0 442.584 6.476 50 0 IKAARN Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@@]3(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000001441870 568811466 /nfs/dbraw/zinc/81/14/66/568811466.db2.gz FYMSBJFVTRXSRW-MZBJOSPHSA-N 0 0 445.902 5.179 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccccc2SCc2ccsc2)cc(OC)c1OC ZINC000015720138 568811570 /nfs/dbraw/zinc/81/15/70/568811570.db2.gz QPYKKYYUNHINSN-CMDGGOBGSA-N 0 0 441.574 5.718 50 0 IKAARN OC1(c2cccs2)c2cccc(Cl)c2C(O)(c2cccs2)c2c(Cl)cccc21 ZINC000006040871 568812128 /nfs/dbraw/zinc/81/21/28/568812128.db2.gz OKLRWQCUSWXCEC-UHFFFAOYSA-N 0 0 445.392 5.998 50 0 IKAARN Cc1c2ccc(NC(=O)c3ccccc3Br)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729410 568813430 /nfs/dbraw/zinc/81/34/30/568813430.db2.gz GJXPQBMGRXWSSU-UHFFFAOYSA-N 0 0 448.316 6.295 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4cc(OC)ccc4OC)c(C)c3c2)cc1 ZINC000015729516 568813480 /nfs/dbraw/zinc/81/34/80/568813480.db2.gz WFNOIFYSYVTMKD-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)cc1OC ZINC000015729392 568813486 /nfs/dbraw/zinc/81/34/86/568813486.db2.gz IFAMJOJMNVEDDO-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)cc1OC ZINC000015729397 568813508 /nfs/dbraw/zinc/81/35/08/568813508.db2.gz WIBGXIPHWKRTEF-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c2C)cc1OC ZINC000015729412 568813511 /nfs/dbraw/zinc/81/35/11/568813511.db2.gz XLDKTZXYBFNPNE-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)cc1OC ZINC000015729413 568813535 /nfs/dbraw/zinc/81/35/35/568813535.db2.gz OOEVMRWEOICWLP-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)c1 ZINC000015729526 568813680 /nfs/dbraw/zinc/81/36/80/568813680.db2.gz WVDXQYIJHUHYNF-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)cc1OC ZINC000015729525 568813692 /nfs/dbraw/zinc/81/36/92/568813692.db2.gz LJEFJYVQLKNGJD-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000015732147 568815041 /nfs/dbraw/zinc/81/50/41/568815041.db2.gz LPVMKNRXIVQWRF-GDLZYMKVSA-N 0 0 449.598 7.355 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000015732109 568815114 /nfs/dbraw/zinc/81/51/14/568815114.db2.gz DQMOOTCNORFBET-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN CCc1ccccc1N(CC)C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000015733137 568815672 /nfs/dbraw/zinc/81/56/72/568815672.db2.gz GPNNZQPDMVFQIL-UHFFFAOYSA-N 0 0 441.575 5.752 50 0 IKAARN Fc1cc(Br)ccc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733476 568815832 /nfs/dbraw/zinc/81/58/32/568815832.db2.gz RZJMCGAHDOWKSG-UHFFFAOYSA-N 0 0 425.257 5.884 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733471 568815836 /nfs/dbraw/zinc/81/58/36/568815836.db2.gz DRIRBVOIXOFDGP-UHFFFAOYSA-N 0 0 443.890 6.599 50 0 IKAARN CCOc1ccc(OCC)c(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000015733645 568815843 /nfs/dbraw/zinc/81/58/43/568815843.db2.gz XQXVLWWQUSXRSS-QHCPKHFHSA-N 0 0 433.483 5.875 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000015733461 568815879 /nfs/dbraw/zinc/81/58/79/568815879.db2.gz QEGQCQYKJYCAAR-HSZRJFAPSA-N 0 0 441.531 6.323 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cc(C)ccc1C ZINC000015733489 568815921 /nfs/dbraw/zinc/81/59/21/568815921.db2.gz BUXIGIBVNZKWPS-JOCHJYFZSA-N 0 0 427.504 5.817 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Cl ZINC000015733545 568815931 /nfs/dbraw/zinc/81/59/31/568815931.db2.gz FZIXJUJKAITZJO-FQEVSTJZSA-N 0 0 433.895 5.853 50 0 IKAARN CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000001445196 568816133 /nfs/dbraw/zinc/81/61/33/568816133.db2.gz PWDKENAYFQNPIK-QHCPKHFHSA-N 0 0 448.567 5.847 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)N2C[C@H](c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1 ZINC000085388843 568816607 /nfs/dbraw/zinc/81/66/07/568816607.db2.gz HOMMNISWVQZSRX-MHECFPHRSA-N 0 0 431.967 6.889 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000015735341 568816705 /nfs/dbraw/zinc/81/67/05/568816705.db2.gz IWUXIDRHDRYIRI-XMMPIXPASA-N 0 0 431.605 5.975 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)cc1 ZINC000015735414 568816715 /nfs/dbraw/zinc/81/67/15/568816715.db2.gz WKUOJFHJIWIRHQ-HSZRJFAPSA-N 0 0 435.593 5.449 50 0 IKAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(C)cc1)CCCC3 ZINC000015735356 568816731 /nfs/dbraw/zinc/81/67/31/568816731.db2.gz MUBWMSWYHSNTPM-XMMPIXPASA-N 0 0 449.620 5.377 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C(C)C)CCCC3 ZINC000015735642 568816843 /nfs/dbraw/zinc/81/68/43/568816843.db2.gz IIRFVJXRQRIIGL-DEOSSOPVSA-N 0 0 449.620 6.479 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)c(Cl)c1)CCCC3 ZINC000015735661 568816882 /nfs/dbraw/zinc/81/68/82/568816882.db2.gz HPRJKZKWLIIFTQ-HXUWFJFHSA-N 0 0 440.012 6.878 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCCC3 ZINC000015735595 568817026 /nfs/dbraw/zinc/81/70/26/568817026.db2.gz FQKPFQVJHFYFPB-JOCHJYFZSA-N 0 0 440.012 6.816 50 0 IKAARN COc1ccc2c(COc3ccc4c(c3)oc(C)c(-c3ccccc3)c4=O)cc(=O)oc2c1 ZINC000001447982 568817272 /nfs/dbraw/zinc/81/72/72/568817272.db2.gz MBNUDZBOVNEINV-UHFFFAOYSA-N 0 0 440.451 5.462 50 0 biogenic IKAARN Cc1oc2cc(OCC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000001447922 568817307 /nfs/dbraw/zinc/81/73/07/568817307.db2.gz IXQJHRCOVGYKDD-UHFFFAOYSA-N 0 0 434.875 5.544 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)cc1)c2=O ZINC000001448158 568817421 /nfs/dbraw/zinc/81/74/21/568817421.db2.gz OMDOVOBEIUQVNW-UHFFFAOYSA-N 0 0 435.398 5.328 50 0 IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001448174 568817460 /nfs/dbraw/zinc/81/74/60/568817460.db2.gz OGDAPONERKYECC-UHFFFAOYSA-N 0 0 448.402 5.120 50 0 IKAARN C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)CC1c2ccccc2Sc2ccccc21 ZINC000085406243 568817642 /nfs/dbraw/zinc/81/76/42/568817642.db2.gz YQUHBRUUZNHOEI-MRXNPFEDSA-N 0 0 441.518 6.439 50 0 IKAARN COc1ccc([C@H](OC(=O)c2ccc(OC)c(OC)c2)c2nccc3ccccc32)cc1 ZINC000001448898 568817649 /nfs/dbraw/zinc/81/76/49/568817649.db2.gz KJYBZIRQXKIDEU-VWLOTQADSA-N 0 0 429.472 5.207 50 0 biogenic IKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1OC ZINC000001447570 568817657 /nfs/dbraw/zinc/81/76/57/568817657.db2.gz XSOHIUIQPPRVLG-UHFFFAOYSA-N 0 0 436.515 6.157 50 0 IKAARN CCC[C@@H](C(=O)NC1CC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405317 568817665 /nfs/dbraw/zinc/81/76/65/568817665.db2.gz WYDCRJBFSWRXCZ-IBGZPJMESA-N 0 0 434.342 5.693 50 0 IKAARN CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000001447572 568817668 /nfs/dbraw/zinc/81/76/68/568817668.db2.gz XQWFXPSTRCMMND-UHFFFAOYSA-N 0 0 433.515 6.098 50 0 IKAARN COc1ccc([C@@H](OC(=O)c2ccc(OC)c(OC)c2)c2nccc3ccccc32)cc1 ZINC000001448899 568817671 /nfs/dbraw/zinc/81/76/71/568817671.db2.gz KJYBZIRQXKIDEU-RUZDIDTESA-N 0 0 429.472 5.207 50 0 biogenic IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccccc2OC)cc1 ZINC000001447752 568817674 /nfs/dbraw/zinc/81/76/74/568817674.db2.gz ZJBHBXWUEDWUGA-UHFFFAOYSA-N 0 0 436.515 6.238 50 0 IKAARN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccn2)c1 ZINC000001447676 568817678 /nfs/dbraw/zinc/81/76/78/568817678.db2.gz YUNPYYBGUNNWQR-UHFFFAOYSA-N 0 0 445.448 6.113 50 0 IKAARN COCCCNC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3cc(C)ccc3C)cn21 ZINC000085410347 568817845 /nfs/dbraw/zinc/81/78/45/568817845.db2.gz RZDXGVKFHAIJII-UHFFFAOYSA-N 0 0 441.575 5.370 50 0 IKAARN Cc1ccccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)NC3CCCCC3)n2c1 ZINC000085409087 568817847 /nfs/dbraw/zinc/81/78/47/568817847.db2.gz GFKOVYOECRYFRA-UHFFFAOYSA-N 0 0 437.587 6.358 50 0 IKAARN O=C(CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3)cn21)NCc1ccccc1 ZINC000085410314 568817879 /nfs/dbraw/zinc/81/78/79/568817879.db2.gz FAYUITQSFBZBJG-UHFFFAOYSA-N 0 0 431.539 5.917 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2ccccc2Cl)S1 ZINC000085411774 568818121 /nfs/dbraw/zinc/81/81/21/568818121.db2.gz GJTHFZUCXBAZTR-FQEVSTJZSA-N 0 0 427.957 5.876 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000085412276 568818272 /nfs/dbraw/zinc/81/82/72/568818272.db2.gz GUNPRQCFUCYDTQ-HXUWFJFHSA-N 0 0 427.957 5.876 50 0 IKAARN COc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1OC ZINC000001452870 568818844 /nfs/dbraw/zinc/81/88/44/568818844.db2.gz JCDLOJZKKLFNNI-UHFFFAOYSA-N 0 0 430.548 5.978 50 0 IKAARN CCC(C)(C)c1ccc(OCC(=O)Oc2cccc(NC(C)=O)c2)c(C(C)(C)CC)c1 ZINC000006053768 568819856 /nfs/dbraw/zinc/81/98/56/568819856.db2.gz XZIDCBJBXBXQDX-UHFFFAOYSA-N 0 0 425.569 6.005 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(F)cc1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001463869 568820011 /nfs/dbraw/zinc/82/00/11/568820011.db2.gz CBTSYEGKNRQTQF-UHFFFAOYSA-N 0 0 432.447 5.512 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1OC ZINC000001463856 568820025 /nfs/dbraw/zinc/82/00/25/568820025.db2.gz PNAAWNDURGXXTP-UHFFFAOYSA-N 0 0 436.891 6.018 50 0 IKAARN CCc1cc2c(cc1OC(=O)c1ccccc1C)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001463832 568820064 /nfs/dbraw/zinc/82/00/64/568820064.db2.gz HCSLAESLOFGLGF-UHFFFAOYSA-N 0 0 442.467 5.321 50 0 biogenic IKAARN C[C@@H](NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2Cl)CC1)c1ccccc1Cl ZINC000015766263 568821115 /nfs/dbraw/zinc/82/11/15/568821115.db2.gz UMBUAVTUMBZSKT-OQSMONGASA-N 0 0 447.406 5.854 50 0 IKAARN CCCCCC(=O)N[C@H](Nc1ccc(C(=O)OCCCC)cc1)C(Cl)(Cl)Cl ZINC000006077854 568821270 /nfs/dbraw/zinc/82/12/70/568821270.db2.gz ZIYXSCMEGDSVKA-SFHVURJKSA-N 0 0 437.795 5.448 50 0 IKAARN CCCCCC(=O)N[C@@H](Nc1ccc(C(=O)OCCCC)cc1)C(Cl)(Cl)Cl ZINC000006077860 568821279 /nfs/dbraw/zinc/82/12/79/568821279.db2.gz ZIYXSCMEGDSVKA-GOSISDBHSA-N 0 0 437.795 5.448 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1nc(-c2cccs2)no1 ZINC000026012984 568821465 /nfs/dbraw/zinc/82/14/65/568821465.db2.gz UVNQHGBOCJCTPK-CYBMUJFWSA-N 0 0 427.555 6.008 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1Cl)CCN(Cc1ccccc1)C3 ZINC000001471710 568821673 /nfs/dbraw/zinc/82/16/73/568821673.db2.gz RQWREYHJAPVIBA-UHFFFAOYSA-N 0 0 448.979 5.343 50 0 IKAARN COc1ccccc1NC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000001472263 568821731 /nfs/dbraw/zinc/82/17/31/568821731.db2.gz BSMCKUDVSXAQCB-UHFFFAOYSA-N 0 0 449.479 5.887 50 0 IKAARN CCCc1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br ZINC000001471174 568821733 /nfs/dbraw/zinc/82/17/33/568821733.db2.gz SZUMPHUKGXOXJL-KRWDZBQOSA-N 0 0 439.353 5.344 50 0 IKAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000001471175 568821746 /nfs/dbraw/zinc/82/17/46/568821746.db2.gz SZUMPHUKGXOXJL-QGZVFWFLSA-N 0 0 439.353 5.344 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)nn2)c(C)c1C ZINC000013009920 568821955 /nfs/dbraw/zinc/82/19/55/568821955.db2.gz WDTVVYPICZCPTD-UHFFFAOYSA-N 0 0 431.475 5.114 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000015770961 568822519 /nfs/dbraw/zinc/82/25/19/568822519.db2.gz MKDUPLNUNOLUHB-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C)c3C)C(=O)C2)cc1C ZINC000015770938 568822557 /nfs/dbraw/zinc/82/25/57/568822557.db2.gz OWHSFRHIUPNJQO-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN Cc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1Cc1nc(-c2ccccc2C)oc1C ZINC000015775132 568823227 /nfs/dbraw/zinc/82/32/27/568823227.db2.gz YZQAKEWUNSZJGS-UHFFFAOYSA-N 0 0 432.499 5.140 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC000015777058 568823566 /nfs/dbraw/zinc/82/35/66/568823566.db2.gz RBCJFQVASMTKHX-UHFFFAOYSA-N 0 0 426.944 5.193 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000015777062 568823781 /nfs/dbraw/zinc/82/37/81/568823781.db2.gz FFFZRTXXQJIJAB-UHFFFAOYSA-N 0 0 426.944 5.193 50 0 IKAARN Cc1ccc2ccc3cc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)[nH]c3c2n1 ZINC000085577734 568825349 /nfs/dbraw/zinc/82/53/49/568825349.db2.gz OZVXVJYDCLTLSF-UHFFFAOYSA-N 0 0 438.453 5.006 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000085568821 568825387 /nfs/dbraw/zinc/82/53/87/568825387.db2.gz WDFXHBBQZZPFAS-UHFFFAOYSA-N 0 0 442.968 5.080 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)c2nc(-c3cccs3)no2)n1-c1ccccc1 ZINC000026040379 568826584 /nfs/dbraw/zinc/82/65/84/568826584.db2.gz NLANHTKHBVZRRD-CQSZACIVSA-N 0 0 435.534 5.801 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1c(C)cccc1C ZINC000015783559 568826965 /nfs/dbraw/zinc/82/69/65/568826965.db2.gz NVZYMHOVEGQMBP-VQTJNVASSA-N 0 0 448.592 5.068 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000006118588 568828733 /nfs/dbraw/zinc/82/87/33/568828733.db2.gz XKCNTWPKKDJODM-ROUUACIJSA-N 0 0 427.610 6.208 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006118562 568828767 /nfs/dbraw/zinc/82/87/67/568828767.db2.gz XKCNTWPKKDJODM-MSOLQXFVSA-N 0 0 427.610 6.208 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(F)cc4)no3)o2)cc1 ZINC000085644062 568829123 /nfs/dbraw/zinc/82/91/23/568829123.db2.gz HDMPXZVHPJKRKO-UHFFFAOYSA-N 0 0 440.496 5.308 50 0 IKAARN CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 ZINC000085644421 568829393 /nfs/dbraw/zinc/82/93/93/568829393.db2.gz NCNHXLMTFYKLIE-UHFFFAOYSA-N 0 0 440.425 5.151 50 0 IKAARN Cc1cc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)ccc1Br ZINC000015785067 568829825 /nfs/dbraw/zinc/82/98/25/568829825.db2.gz BVNKCPACUQEFJQ-UHFFFAOYSA-N 0 0 425.257 5.957 50 0 IKAARN Cc1ccc(-c2nccc(N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000085649300 568830704 /nfs/dbraw/zinc/83/07/04/568830704.db2.gz KFQZHDRXICRBDX-UHFFFAOYSA-N 0 0 428.580 5.108 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1OC ZINC000085649474 568830724 /nfs/dbraw/zinc/83/07/24/568830724.db2.gz JMTJMXDMMRUYEO-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000085650211 568830886 /nfs/dbraw/zinc/83/08/86/568830886.db2.gz NPVLWQCSPOZWBB-UHFFFAOYSA-N 0 0 448.504 5.472 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649540 568831047 /nfs/dbraw/zinc/83/10/47/568831047.db2.gz LICYRENJXGFUML-LJQANCHMSA-N 0 0 440.522 5.777 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649501 568831052 /nfs/dbraw/zinc/83/10/52/568831052.db2.gz FOEISDPVNVQARC-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649753 568831057 /nfs/dbraw/zinc/83/10/57/568831057.db2.gz VHCCPJWWPTWYIY-UHFFFAOYSA-N 0 0 436.849 6.071 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1 ZINC000085649595 568831060 /nfs/dbraw/zinc/83/10/60/568831060.db2.gz FGBVNNOVANTPDB-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc(OC)c1 ZINC000085649755 568831099 /nfs/dbraw/zinc/83/10/99/568831099.db2.gz NPYCDGLTPANKSW-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1Cl ZINC000085649883 568831286 /nfs/dbraw/zinc/83/12/86/568831286.db2.gz PWEGNDXTYVWQSE-UHFFFAOYSA-N 0 0 430.895 5.802 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649790 568831288 /nfs/dbraw/zinc/83/12/88/568831288.db2.gz OLKHQIBIRDUCNJ-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649779 568831314 /nfs/dbraw/zinc/83/13/14/568831314.db2.gz PCPNFKXDYBBVCY-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN COc1cc(Nc2nc(C(=O)N[C@H](C)c3ccccc3)cc3occc32)cc(OC)c1OC ZINC000085651332 568831901 /nfs/dbraw/zinc/83/19/01/568831901.db2.gz SENJNFVOEUMFOD-OAHLLOKOSA-N 0 0 447.491 5.088 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(CC)cc4)ccc3[nH]2)cc1 ZINC000085653676 568832236 /nfs/dbraw/zinc/83/22/36/568832236.db2.gz KPCVAMFYUJAUAL-UHFFFAOYSA-N 0 0 440.547 5.511 50 0 IKAARN Brc1ccc(-c2noc(-c3cc(-c4cccc(Br)c4)[nH]n3)n2)cc1 ZINC000085659764 568833899 /nfs/dbraw/zinc/83/38/99/568833899.db2.gz XOCJQKRPVFJWLL-UHFFFAOYSA-N 0 0 446.102 5.319 50 0 IKAARN Cc1c2cc(S(=O)(=O)Nc3ccccc3)ccc2oc1-c1nc(-c2ccc(C)cc2)no1 ZINC000085654774 568834119 /nfs/dbraw/zinc/83/41/19/568834119.db2.gz ZHFLJRWEUPSGIO-UHFFFAOYSA-N 0 0 445.500 5.567 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(OCC)cc2)c1C ZINC000085711139 568835062 /nfs/dbraw/zinc/83/50/62/568835062.db2.gz ZKWXDEWBCMGHCE-UHFFFAOYSA-N 0 0 448.563 5.358 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2cc(Cl)ccc2C)c1C ZINC000085712168 568835361 /nfs/dbraw/zinc/83/53/61/568835361.db2.gz HUEXGZJJBMJMAP-UHFFFAOYSA-N 0 0 443.931 5.597 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccc(C)cc2)c1C ZINC000085712021 568835374 /nfs/dbraw/zinc/83/53/74/568835374.db2.gz MYHJAWFLYQTNBJ-UHFFFAOYSA-N 0 0 449.551 5.360 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)cc2)c1C ZINC000085712138 568835376 /nfs/dbraw/zinc/83/53/76/568835376.db2.gz BLAUSKDOVZMRNW-UHFFFAOYSA-N 0 0 429.904 5.289 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccc(C)c(Cl)c2)C2CCCCC2)c1C ZINC000085712271 568835419 /nfs/dbraw/zinc/83/54/19/568835419.db2.gz GUHNXOGRJZYHEH-UHFFFAOYSA-N 0 0 445.991 6.137 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccc(C)cc2C)C2CCCCC2)c1C ZINC000085712323 568835593 /nfs/dbraw/zinc/83/55/93/568835593.db2.gz JXLBZJQTHWUTSO-UHFFFAOYSA-N 0 0 425.573 5.792 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)NCc2ccc(C)cc2)C2CCCCC2)c1C ZINC000085712363 568835621 /nfs/dbraw/zinc/83/56/21/568835621.db2.gz UODSCLFHNYQHOV-UHFFFAOYSA-N 0 0 425.573 5.161 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)c2cccc(Cl)c2)c1C ZINC000085711559 568835786 /nfs/dbraw/zinc/83/57/86/568835786.db2.gz PGCOQQNLLCMUOH-UHFFFAOYSA-N 0 0 438.955 5.347 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc3ccccc3cc2OC)nc1-c1ccccc1 ZINC000001509297 568836051 /nfs/dbraw/zinc/83/60/51/568836051.db2.gz MIMKSLQHSJHUII-UHFFFAOYSA-N 0 0 432.501 5.401 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccc(F)cc2)c1C ZINC000085711906 568836139 /nfs/dbraw/zinc/83/61/39/568836139.db2.gz NYNLUETYLFGLMT-UHFFFAOYSA-N 0 0 437.515 5.490 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000000637884 568836419 /nfs/dbraw/zinc/83/64/19/568836419.db2.gz AMGPOAXSQDXBTC-UHFFFAOYSA-N 0 0 427.740 5.712 50 0 IKAARN O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N/C1=C/c1ccoc1 ZINC000001510292 568836437 /nfs/dbraw/zinc/83/64/37/568836437.db2.gz HKKAOSKGRKWKFU-GIJQJNRQSA-N 0 0 427.685 5.526 50 0 IKAARN Fc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000001129554 568836611 /nfs/dbraw/zinc/83/66/11/568836611.db2.gz GLSVVVDATZJYKU-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc(Cl)c1C)CCCC3 ZINC000002403923 568836872 /nfs/dbraw/zinc/83/68/72/568836872.db2.gz UMYJMNSNQAWESF-UHFFFAOYSA-N 0 0 448.013 5.049 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000002258731 568836918 /nfs/dbraw/zinc/83/69/18/568836918.db2.gz GSTDYTZCCIBFMV-UHFFFAOYSA-N 0 0 426.900 5.479 50 0 IKAARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000001513023 568837985 /nfs/dbraw/zinc/83/79/85/568837985.db2.gz YFNPAVURISJYQF-UHFFFAOYSA-N 0 0 437.318 5.542 50 0 IKAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccccc3)c3ccc(OC)c(OC)c3)c21 ZINC000085875727 568838208 /nfs/dbraw/zinc/83/82/08/568838208.db2.gz UGGXRUIKZULAOJ-FQEVSTJZSA-N 0 0 444.531 5.032 50 0 biogenic IKAARN COc1ccc(CNC(=O)C[C@H](c2c[nH]c3cccc(OC)c32)c2ccc(OC)cc2)cc1 ZINC000085875482 568838211 /nfs/dbraw/zinc/83/82/11/568838211.db2.gz HDHSZSFNQUPDOE-QFIPXVFZSA-N 0 0 444.531 5.032 50 0 biogenic IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000006121820 568838354 /nfs/dbraw/zinc/83/83/54/568838354.db2.gz XKCNTWPKKDJODM-ZWKOTPCHSA-N 0 0 427.610 6.208 50 0 IKAARN Brc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000002381300 568838388 /nfs/dbraw/zinc/83/83/88/568838388.db2.gz UYPSQBGMTFASIE-UHFFFAOYSA-N 0 0 434.362 6.260 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000001514399 568839364 /nfs/dbraw/zinc/83/93/64/568839364.db2.gz GGHUNNJFUFMKDZ-UHFFFAOYSA-N 0 0 429.369 5.056 50 0 IKAARN CCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OCC)C2 ZINC000015821550 568839806 /nfs/dbraw/zinc/83/98/06/568839806.db2.gz FYZKEHNLQCXBDY-UHFFFAOYSA-N 0 0 429.567 5.278 50 0 IKAARN O=C(c1ccc(Br)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015822531 568840007 /nfs/dbraw/zinc/84/00/07/568840007.db2.gz BMWPAUPVZHPIJG-HSZRJFAPSA-N 0 0 449.323 5.857 50 0 IKAARN CCN1c2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2Sc2ccccc2C1=O ZINC000015822982 568840028 /nfs/dbraw/zinc/84/00/28/568840028.db2.gz ALDDZSPYXPEFHD-UHFFFAOYSA-N 0 0 437.952 6.424 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)c1 ZINC000015822684 568840032 /nfs/dbraw/zinc/84/00/32/568840032.db2.gz JWLZHPYBUYAMGB-VWLOTQADSA-N 0 0 430.935 6.008 50 0 IKAARN COc1cnc(CSc2ccccc2)cc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000015824472 568840361 /nfs/dbraw/zinc/84/03/61/568840361.db2.gz SSDKJVOMKAAJSG-UHFFFAOYSA-N 0 0 448.466 5.419 50 0 IKAARN CCc1ccc(NC(=O)COc2cc(CSc3ccc(Cl)cc3)ncc2OC)cc1 ZINC000015824644 568840559 /nfs/dbraw/zinc/84/05/59/568840559.db2.gz KCIZQHWEEHTLFC-UHFFFAOYSA-N 0 0 442.968 5.616 50 0 IKAARN Cc1ccccc1N1C(=O)N(Cc2ccc(F)cc2Cl)c2ccccc2S1(=O)=O ZINC000015827131 568840863 /nfs/dbraw/zinc/84/08/63/568840863.db2.gz MCGPJVGOYLOUFX-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN COc1cccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000015827268 568840901 /nfs/dbraw/zinc/84/09/01/568840901.db2.gz RWUCWVBJXZOTIK-UHFFFAOYSA-N 0 0 436.533 5.154 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(C)cc1C ZINC000015827485 568841051 /nfs/dbraw/zinc/84/10/51/568841051.db2.gz SGDIPGOZLQESLL-UHFFFAOYSA-N 0 0 443.572 5.577 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000015828436 568841253 /nfs/dbraw/zinc/84/12/53/568841253.db2.gz IJJDVCRCXOLZQS-UHFFFAOYSA-N 0 0 431.941 6.026 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5C(=O)CCC5=O)cc4)cc3)sc2c1 ZINC000001518522 568841386 /nfs/dbraw/zinc/84/13/86/568841386.db2.gz QTLWVCXFWLRCNP-UHFFFAOYSA-N 0 0 441.512 5.177 50 0 IKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000015831012 568841605 /nfs/dbraw/zinc/84/16/05/568841605.db2.gz KNGAFBKHANJVFN-UHFFFAOYSA-N 0 0 425.488 5.180 50 0 IKAARN CNC(=O)c1ccccc1[C@H](c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000000641281 568841620 /nfs/dbraw/zinc/84/16/20/568841620.db2.gz AQUFUTNOSNFEKQ-WUFINQPMSA-N 0 0 437.539 5.491 50 0 IKAARN COc1cc(OC)c(NC(=O)Oc2c(C)cc(Cl)cc2Br)cc1Cl ZINC000000640885 568841701 /nfs/dbraw/zinc/84/17/01/568841701.db2.gz OCPONMMXPOSLMI-UHFFFAOYSA-N 0 0 435.101 5.692 50 0 IKAARN COc1ccc(NC(=O)Oc2ccc(Br)cc2Br)c(Cl)c1 ZINC000000641562 568841706 /nfs/dbraw/zinc/84/17/06/568841706.db2.gz SAWVXYSWGUCECW-UHFFFAOYSA-N 0 0 435.499 5.485 50 0 IKAARN Cc1cc(-c2ccc(NC(=S)NCC(C)C)c(C)c2)ccc1NC(=S)NCC(C)C ZINC000000641143 568841712 /nfs/dbraw/zinc/84/17/12/568841712.db2.gz ROZFHGBKPIOADK-UHFFFAOYSA-N 0 0 442.698 5.855 50 0 IKAARN O=C(COc1c(Cl)cc(Cl)c(Cl)c1Cl)Nc1c(Cl)cccc1Cl ZINC000004541985 568841770 /nfs/dbraw/zinc/84/17/70/568841770.db2.gz BXIQRBZMCJNYDQ-UHFFFAOYSA-N 0 0 433.933 6.625 50 0 IKAARN O=C(Cn1ccc2ccc(Cl)cc2c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004542439 568841784 /nfs/dbraw/zinc/84/17/84/568841784.db2.gz IVRCOVBKVQPGMT-UHFFFAOYSA-N 0 0 448.750 5.331 50 0 IKAARN O=C(N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003137201 568841805 /nfs/dbraw/zinc/84/18/05/568841805.db2.gz HWGXGXSAUNWMHS-AWEZNQCLSA-N 0 0 442.557 6.028 50 0 IKAARN O=C(Cn1ccc2c(Cl)cc(Cl)cc2c1=O)NC(c1ccccc1)c1ccccc1 ZINC000004542437 568841854 /nfs/dbraw/zinc/84/18/54/568841854.db2.gz WFMWCIXHIOTIFN-UHFFFAOYSA-N 0 0 437.326 5.214 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2ccc(C(C)(C)C)cc12 ZINC000004542455 568841867 /nfs/dbraw/zinc/84/18/67/568841867.db2.gz IMJLOMHLFAISJZ-UHFFFAOYSA-N 0 0 428.326 5.407 50 0 IKAARN O=C(COc1c(Cl)cc(Cl)c(Cl)c1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000004541974 568841870 /nfs/dbraw/zinc/84/18/70/568841870.db2.gz GLVXXPUNFCOGAG-UHFFFAOYSA-N 0 0 433.040 6.337 50 0 IKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c1 ZINC000015832816 568841933 /nfs/dbraw/zinc/84/19/33/568841933.db2.gz XZUFKZLGPKVQIP-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN CCCC[C@@H](CC)COP(=O)(CC(=O)N(C(C)C)C(C)C)OC[C@H](CC)CCCC ZINC000004800471 568841941 /nfs/dbraw/zinc/84/19/41/568841941.db2.gz PMVZQRVSGKUIPE-DHIUTWEWSA-N 0 0 447.641 7.291 50 0 IKAARN Brc1ccc(NCc2ccc(CNc3ccc(Br)cc3)cc2)cc1 ZINC000002147081 568842050 /nfs/dbraw/zinc/84/20/50/568842050.db2.gz BFDVUUPVGZQLGN-UHFFFAOYSA-N 0 0 446.186 6.436 50 0 IKAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000002905397 568842206 /nfs/dbraw/zinc/84/22/06/568842206.db2.gz RVGNNKXBYYXPGA-CQSZACIVSA-N 0 0 445.243 5.409 50 0 IKAARN CC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n2cnc(-c3cccs3)cc12 ZINC000002532673 568842245 /nfs/dbraw/zinc/84/22/45/568842245.db2.gz XERBRTAULFERJV-UHFFFAOYSA-N 0 0 429.423 5.537 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1ccccc1)O2 ZINC000033687413 568842399 /nfs/dbraw/zinc/84/23/99/568842399.db2.gz BLUZJURWLHNTCL-AHWVRZQESA-N 0 0 445.349 7.389 50 0 IKAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 ZINC000015833386 568842411 /nfs/dbraw/zinc/84/24/11/568842411.db2.gz HYUHFZOEOKGECD-UHFFFAOYSA-N 0 0 431.561 5.179 50 0 IKAARN CCCCSC(=O)Nc1ccc(Cc2ccc(NC(=O)SCCCC)cc2)cc1 ZINC000025691753 568842581 /nfs/dbraw/zinc/84/25/81/568842581.db2.gz SNEUENOBBXTQNZ-UHFFFAOYSA-N 0 0 430.639 7.408 50 0 IKAARN O=C1N(c2ccccc2)[C@H](c2ccccc2)N2C(=O)N(c3ccccc3)[C@@H](c3ccccc3)N12 ZINC000025694398 568842730 /nfs/dbraw/zinc/84/27/30/568842730.db2.gz CDDNERAIBZNHJN-WMPKNSHKSA-N 0 0 446.510 6.183 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000028064720 568842744 /nfs/dbraw/zinc/84/27/44/568842744.db2.gz CTYYMQQFHFGIBF-NRFANRHFSA-N 0 0 436.005 7.189 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(OC)cc3)n2)cc1 ZINC000028065005 568842756 /nfs/dbraw/zinc/84/27/56/568842756.db2.gz GBFPHMNTXVUHDI-JOCHJYFZSA-N 0 0 447.585 6.245 50 0 IKAARN OC(c1ccccc1)(c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000025693925 568842758 /nfs/dbraw/zinc/84/27/58/568842758.db2.gz PCBLIARMTMXZLE-UHFFFAOYSA-N 0 0 432.561 7.238 50 0 IKAARN Brc1ccc(/C=C/c2ccc(/C=C/c3ccc(Br)cc3)cc2)cc1 ZINC000063361163 568842761 /nfs/dbraw/zinc/84/27/61/568842761.db2.gz BQWLFSFPVKOGNS-KQQUZDAGSA-N 0 0 440.178 7.552 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000028064641 568842776 /nfs/dbraw/zinc/84/27/76/568842776.db2.gz RZTWTNXOXGWEIM-OAQYLSRUSA-N 0 0 435.549 6.375 50 0 IKAARN CCN(CC)C(=S)SCC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1 ZINC000045067809 568843104 /nfs/dbraw/zinc/84/31/04/568843104.db2.gz ZRFZEQXRSWQQTN-QFIPXVFZSA-N 0 0 439.650 5.341 50 0 IKAARN CCN(CC)C(=S)SCC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1 ZINC000045067811 568843105 /nfs/dbraw/zinc/84/31/05/568843105.db2.gz ZRFZEQXRSWQQTN-JOCHJYFZSA-N 0 0 439.650 5.341 50 0 IKAARN COc1ccc(COCC[C@@H](C)CCC(=O)N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC000043763645 568843128 /nfs/dbraw/zinc/84/31/28/568843128.db2.gz CUIRVLVGELIVLY-XLNZFTOWSA-N 0 0 425.525 5.127 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 ZINC000100726710 568843277 /nfs/dbraw/zinc/84/32/77/568843277.db2.gz MMVXZRVACCTCHY-CVDCTZTESA-N 0 0 439.298 5.964 50 0 IKAARN O=C(Nc1ccccc1)c1sc2ccc(OCc3ccc4ccccc4n3)cc2c1Cl ZINC000045068871 568843405 /nfs/dbraw/zinc/84/34/05/568843405.db2.gz FTDDQQGHOCPYBP-UHFFFAOYSA-N 0 0 444.943 6.934 50 0 IKAARN CC1(C)CC(=O)C[C@@]2(C1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000100729052 568843409 /nfs/dbraw/zinc/84/34/09/568843409.db2.gz HCTSMTJNYAKKHU-OFNKIYASSA-N 0 0 429.347 6.495 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc(C)n2)cc1 ZINC000015838370 568844462 /nfs/dbraw/zinc/84/44/62/568844462.db2.gz GCUZMSNOYYGTAK-UHFFFAOYSA-N 0 0 443.938 6.486 50 0 IKAARN O=C(c1ccccc1)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000015227310 568844810 /nfs/dbraw/zinc/84/48/10/568844810.db2.gz UZPDVSAKHDABOA-SHQCIBLASA-N 0 0 438.914 6.246 50 0 IKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000006143800 568845889 /nfs/dbraw/zinc/84/58/89/568845889.db2.gz JZZZDKCEUJUDEN-UHFFFAOYSA-N 0 0 425.706 6.596 50 0 IKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000006143799 568845899 /nfs/dbraw/zinc/84/58/99/568845899.db2.gz VTCMTWYCZNNEQN-UHFFFAOYSA-N 0 0 425.706 6.596 50 0 IKAARN CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000006146365 568846082 /nfs/dbraw/zinc/84/60/82/568846082.db2.gz QCWXBYVYQRVRNC-UHFFFAOYSA-N 0 0 425.488 5.216 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000006147394 568846223 /nfs/dbraw/zinc/84/62/23/568846223.db2.gz UVPGWSPHDZUORT-UHFFFAOYSA-N 0 0 430.467 6.290 50 0 IKAARN CC(C)(C)[P@@](=O)(Oc1ccc(Br)cc1Br)c1ccncc1 ZINC000006146167 568846457 /nfs/dbraw/zinc/84/64/57/568846457.db2.gz VRUWRAUVFVZDFE-NRFANRHFSA-N 0 0 433.080 5.388 50 0 IKAARN O=C(CNc1ccc(F)cc1)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000015859096 568846922 /nfs/dbraw/zinc/84/69/22/568846922.db2.gz FBBYNWZUFQIMAW-UHFFFAOYSA-N 0 0 432.886 5.654 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccco1 ZINC000015859322 568847178 /nfs/dbraw/zinc/84/71/78/568847178.db2.gz HUWJQOWPJUWWJG-QFIPXVFZSA-N 0 0 436.895 5.353 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(F)c1)N1CCOCC1)c1cccs1 ZINC000015859407 568847606 /nfs/dbraw/zinc/84/76/06/568847606.db2.gz DNUIDTXEHFWPPY-JOCHJYFZSA-N 0 0 436.508 5.307 50 0 IKAARN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000015859374 568847611 /nfs/dbraw/zinc/84/76/11/568847611.db2.gz NWJRNYMVJVMSBM-QHCPKHFHSA-N 0 0 448.544 5.177 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](Nc1cccc(C)n1)c1ccccn1 ZINC000015859759 568847805 /nfs/dbraw/zinc/84/78/05/568847805.db2.gz PLDTXWLOGRIVKL-VWLOTQADSA-N 0 0 437.503 5.622 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000015859605 568847853 /nfs/dbraw/zinc/84/78/53/568847853.db2.gz CAXDFBMVUAQXIA-AREMUKBSSA-N 0 0 440.543 5.724 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1F)N1CCOCC1)c1ccccc1 ZINC000015859522 568847886 /nfs/dbraw/zinc/84/78/86/568847886.db2.gz FYNWIQBPUHCTHD-DEOSSOPVSA-N 0 0 430.479 5.246 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000015861645 568848484 /nfs/dbraw/zinc/84/84/84/568848484.db2.gz QNTYZDUTQLFDCC-UHFFFAOYSA-N 0 0 425.463 5.727 50 0 IKAARN Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)CC4CCCC4)cc3C)s2)cc1 ZINC000015862038 568848494 /nfs/dbraw/zinc/84/84/94/568848494.db2.gz BCXQYFXPILNWRW-UHFFFAOYSA-N 0 0 443.594 5.233 50 0 IKAARN O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccc(Cl)cc1 ZINC000015862069 568848496 /nfs/dbraw/zinc/84/84/96/568848496.db2.gz PUNHCCPGDZUMBF-UHFFFAOYSA-N 0 0 443.937 5.003 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)[C@@H](C)Oc2ccccc2)c1C ZINC000015862452 568848708 /nfs/dbraw/zinc/84/87/08/568848708.db2.gz XWTRQYLIWDERGU-OAQYLSRUSA-N 0 0 448.563 5.113 50 0 IKAARN COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc(C)cc2)c3=O)c1 ZINC000006162615 568848926 /nfs/dbraw/zinc/84/89/26/568848926.db2.gz DPZKJMGTEPSJNJ-UHFFFAOYSA-N 0 0 432.428 5.130 50 0 IKAARN Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1 ZINC000006161555 568848929 /nfs/dbraw/zinc/84/89/29/568848929.db2.gz DXRSBENRSWMKIS-UHFFFAOYSA-N 0 0 430.371 5.164 50 0 IKAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccs2)no1 ZINC000015863970 568849521 /nfs/dbraw/zinc/84/95/21/568849521.db2.gz HUQUCSUOECAYHG-UHFFFAOYSA-N 0 0 437.955 5.005 50 0 IKAARN COc1ccccc1N1CCN(C(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)CC1 ZINC000015865016 568849878 /nfs/dbraw/zinc/84/98/78/568849878.db2.gz VPJVITJUZKWRSB-UHFFFAOYSA-N 0 0 447.922 5.119 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(Cl)cc5)c4c3)C[C@@H]2C)c1 ZINC000015864998 568849906 /nfs/dbraw/zinc/84/99/06/568849906.db2.gz NGDZMQZRXKIKDW-SFHVURJKSA-N 0 0 445.950 5.808 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4noc(-c5ccc(Cl)cc5)c4c3)CC2)c1 ZINC000015864996 568849929 /nfs/dbraw/zinc/84/99/29/568849929.db2.gz RZWNRAZMWDQFGI-UHFFFAOYSA-N 0 0 445.950 5.727 50 0 IKAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865022 568849933 /nfs/dbraw/zinc/84/99/33/568849933.db2.gz GDANFDAQDWENJQ-UHFFFAOYSA-N 0 0 433.895 5.237 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(Cl)cc5)c4c3)CC2)c1C ZINC000015864995 568849954 /nfs/dbraw/zinc/84/99/54/568849954.db2.gz FIIZABWTUPBVTK-UHFFFAOYSA-N 0 0 445.950 5.727 50 0 IKAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc12 ZINC000015865427 568850113 /nfs/dbraw/zinc/85/01/13/568850113.db2.gz HIBOBULZWXBVHX-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN CCc1ccc(OCc2nnc(SCc3cc(=O)c4ccc(C)c(C)c4[nH]3)n2CC)cc1 ZINC000015865320 568850132 /nfs/dbraw/zinc/85/01/32/568850132.db2.gz LLVWYHMSEKFVHE-UHFFFAOYSA-N 0 0 448.592 5.190 50 0 IKAARN CCc1ccc2[nH]c(CSc3nnc(COc4ccc(C(C)C)cc4)n3C)cc(=O)c2c1 ZINC000015865358 568850151 /nfs/dbraw/zinc/85/01/51/568850151.db2.gz DVAQFSNVGIHNQO-UHFFFAOYSA-N 0 0 448.592 5.214 50 0 IKAARN CCc1c(C)sc2c1CCN(Cc1ccc(Br)cc1F)[C@@H]2c1ccccc1 ZINC000015864903 568850326 /nfs/dbraw/zinc/85/03/26/568850326.db2.gz MZZCZZOZDYMMRV-JOCHJYFZSA-N 0 0 444.413 6.668 50 0 IKAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3C)nc2c1 ZINC000015865458 568850513 /nfs/dbraw/zinc/85/05/13/568850513.db2.gz HNQGCCJURFLOJW-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN COc1ccc(Br)cc1CNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000015865741 568850603 /nfs/dbraw/zinc/85/06/03/568850603.db2.gz ADSYRBKIVMGIKO-UHFFFAOYSA-N 0 0 445.700 5.336 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000015868201 568851101 /nfs/dbraw/zinc/85/11/01/568851101.db2.gz IKZACKHTWNWEOB-AWEZNQCLSA-N 0 0 428.439 5.283 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000015868352 568851233 /nfs/dbraw/zinc/85/12/33/568851233.db2.gz OBELAMAJXXGECA-ZDUSSCGKSA-N 0 0 443.359 5.880 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868298 568851332 /nfs/dbraw/zinc/85/13/32/568851332.db2.gz XKMKRASBDVQDJU-AWEZNQCLSA-N 0 0 443.359 5.880 50 0 IKAARN O=C(CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)NC1CCCCC1 ZINC000015869800 568851459 /nfs/dbraw/zinc/85/14/59/568851459.db2.gz KZKOMKVIQOXVPH-UHFFFAOYSA-N 0 0 445.563 5.186 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000015867954 568851467 /nfs/dbraw/zinc/85/14/67/568851467.db2.gz AMODBWFQEQVGOD-ZDUSSCGKSA-N 0 0 428.439 5.283 50 0 IKAARN COc1c(C)cnc(CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)c1C ZINC000015868025 568851487 /nfs/dbraw/zinc/85/14/87/568851487.db2.gz JICCOSILEGBQHS-UHFFFAOYSA-N 0 0 427.533 5.257 50 0 IKAARN O=C(Nc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2s1)c1ccccc1 ZINC000015870194 568851773 /nfs/dbraw/zinc/85/17/73/568851773.db2.gz UPNXNLKAGOTGMF-UHFFFAOYSA-N 0 0 443.937 5.003 50 0 IKAARN CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000015880697 568854245 /nfs/dbraw/zinc/85/42/45/568854245.db2.gz UKTJHJZAKYTHMP-UHFFFAOYSA-N 0 0 428.945 5.745 50 0 IKAARN CCCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000015880698 568854276 /nfs/dbraw/zinc/85/42/76/568854276.db2.gz LPANUIXJQDHCOD-UHFFFAOYSA-N 0 0 442.972 5.964 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881152 568854822 /nfs/dbraw/zinc/85/48/22/568854822.db2.gz FLTUHGXRQLPVGM-UHFFFAOYSA-N 0 0 445.515 5.408 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880661 568854874 /nfs/dbraw/zinc/85/48/74/568854874.db2.gz CFJNSQBRPRHEPA-UHFFFAOYSA-N 0 0 435.336 5.584 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881136 568854899 /nfs/dbraw/zinc/85/48/99/568854899.db2.gz IBUVYGPTOTWELW-UHFFFAOYSA-N 0 0 429.560 6.574 50 0 IKAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000015881452 568855037 /nfs/dbraw/zinc/85/50/37/568855037.db2.gz IUWRDKSOLXXGHC-UHFFFAOYSA-N 0 0 428.414 5.301 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)c2O1 ZINC000015881165 568855084 /nfs/dbraw/zinc/85/50/84/568855084.db2.gz GTEPZUBLLSJWTF-UHFFFAOYSA-N 0 0 425.887 6.024 50 0 IKAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCC(Cc3ccccc3)CC2)o1 ZINC000015881427 568855156 /nfs/dbraw/zinc/85/51/56/568855156.db2.gz PAFXBXJUEHLWNL-UHFFFAOYSA-N 0 0 442.563 5.125 50 0 IKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC000015881514 568855411 /nfs/dbraw/zinc/85/54/11/568855411.db2.gz WSVRVRDRCKWKPV-UHFFFAOYSA-N 0 0 428.414 5.472 50 0 IKAARN COc1cccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)cc(C)c3s2)c1OC ZINC000015881825 568856107 /nfs/dbraw/zinc/85/61/07/568856107.db2.gz IYYKMNPLJMOJKP-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN Cc1c(CCNC(=O)c2ccc3ccccc3c2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000015882107 568856548 /nfs/dbraw/zinc/85/65/48/568856548.db2.gz RBOXBAXUPILUBR-UHFFFAOYSA-N 0 0 430.508 5.031 50 0 IKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000015882504 568856999 /nfs/dbraw/zinc/85/69/99/568856999.db2.gz VJEWBGCETDIXON-UHFFFAOYSA-N 0 0 436.558 5.318 50 0 IKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccccc1Br ZINC000015882483 568857051 /nfs/dbraw/zinc/85/70/51/568857051.db2.gz AEBSKKFVSZHJIN-UHFFFAOYSA-N 0 0 448.320 5.017 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000015882508 568857136 /nfs/dbraw/zinc/85/71/36/568857136.db2.gz LOBZYUVEATUACE-UHFFFAOYSA-N 0 0 436.558 5.318 50 0 IKAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000015883834 568858071 /nfs/dbraw/zinc/85/80/71/568858071.db2.gz MWAJAVVEFTUJFM-UHFFFAOYSA-N 0 0 436.558 5.398 50 0 IKAARN COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015883907 568858155 /nfs/dbraw/zinc/85/81/55/568858155.db2.gz ZFJQKIPNQNZLRK-UHFFFAOYSA-N 0 0 442.968 5.058 50 0 IKAARN CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(Cl)cc2)cc1 ZINC000015883921 568858331 /nfs/dbraw/zinc/85/83/31/568858331.db2.gz RUWQVCLBSHNLLN-UHFFFAOYSA-N 0 0 442.968 5.004 50 0 IKAARN Cc1ccc(NC(=S)N=[P@@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1Cl ZINC000015905895 568858516 /nfs/dbraw/zinc/85/85/16/568858516.db2.gz TVNYIDAVRMCLDM-NDEPHWFRSA-N 0 0 449.988 5.918 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)cc1 ZINC000028064646 568864414 /nfs/dbraw/zinc/86/44/14/568864414.db2.gz RZTWTNXOXGWEIM-NRFANRHFSA-N 0 0 435.549 6.375 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2)cc1 ZINC000028064561 568864500 /nfs/dbraw/zinc/86/45/00/568864500.db2.gz UKKWIFMXKCDHBR-JOCHJYFZSA-N 0 0 431.586 6.544 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1OC(F)F ZINC000012936095 568865050 /nfs/dbraw/zinc/86/50/50/568865050.db2.gz VNZBNNGVJYFWDP-UHFFFAOYSA-N 0 0 434.464 5.446 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CSCC(=O)NCc2cccs2)cc1 ZINC000012936277 568865312 /nfs/dbraw/zinc/86/53/12/568865312.db2.gz MASSIWZWLCGTEF-UHFFFAOYSA-N 0 0 449.601 5.159 50 0 IKAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000012938975 568867796 /nfs/dbraw/zinc/86/77/96/568867796.db2.gz VQRDKIYGOWUIPP-UHFFFAOYSA-N 0 0 426.904 5.029 50 0 IKAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000012938969 568867800 /nfs/dbraw/zinc/86/78/00/568867800.db2.gz WHLZYNNTLRTZQS-UHFFFAOYSA-N 0 0 426.904 5.029 50 0 IKAARN COc1ccc(S(=O)(=O)n2c3ccccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000006180969 568867822 /nfs/dbraw/zinc/86/78/22/568867822.db2.gz XTLRZPJCDTZKDM-UHFFFAOYSA-N 0 0 444.965 5.228 50 0 IKAARN CC(C)(C)c1ccc(CSc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000016035782 568867852 /nfs/dbraw/zinc/86/78/52/568867852.db2.gz MZEMTBIDZQXPJU-UHFFFAOYSA-N 0 0 436.671 7.573 50 0 IKAARN CCCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1cccc(F)c1 ZINC000006181461 568869029 /nfs/dbraw/zinc/86/90/29/568869029.db2.gz PWDKFCRJNSRGKQ-UHFFFAOYSA-N 0 0 434.536 5.740 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Oc2ccccc2)cc1 ZINC000016047632 568869203 /nfs/dbraw/zinc/86/92/03/568869203.db2.gz FRIOKZKLTLEQMW-UHFFFAOYSA-N 0 0 436.265 5.544 50 0 IKAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCc3ccccc3C2)cc1 ZINC000012940941 568869738 /nfs/dbraw/zinc/86/97/38/568869738.db2.gz STJJCXYQEWBEST-UHFFFAOYSA-N 0 0 428.507 5.500 50 0 IKAARN O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)c(CCCl)c1 ZINC000012941292 568869959 /nfs/dbraw/zinc/86/99/59/568869959.db2.gz AIHLZGPCPXBLMZ-ONNFQVAWSA-N 0 0 440.326 5.975 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012943367 568870354 /nfs/dbraw/zinc/87/03/54/568870354.db2.gz IYNAVYXVJZAODX-UHFFFAOYSA-N 0 0 444.318 5.347 50 0 IKAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000016088193 568870375 /nfs/dbraw/zinc/87/03/75/568870375.db2.gz JKWRFXGZWHAWQC-LBPRGKRZSA-N 0 0 427.378 5.171 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)Nc3ccccc3N3CCCC3=O)c2oc1-c1ccccc1 ZINC000012945432 568870957 /nfs/dbraw/zinc/87/09/57/568870957.db2.gz LMKPYVXFQZVHFO-UHFFFAOYSA-N 0 0 438.483 5.148 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000012949990 568871925 /nfs/dbraw/zinc/87/19/25/568871925.db2.gz DTHLSZAKDJRQDQ-UHFFFAOYSA-N 0 0 447.716 5.039 50 0 IKAARN O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cc(Br)ccc1Cl ZINC000585148050 568872775 /nfs/dbraw/zinc/87/27/75/568872775.db2.gz MXYUGGWMDLAUSZ-CYBMUJFWSA-N 0 0 442.787 5.356 50 0 IKAARN CCOC(=O)c1ccc2nc(NC(=O)c3cc(CC)c(-c4ccccc4)s3)sc2c1 ZINC000585152317 568872932 /nfs/dbraw/zinc/87/29/32/568872932.db2.gz OHJGBRRNVIBIME-UHFFFAOYSA-N 0 0 436.558 6.016 50 0 IKAARN CC(C)(C)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000585152280 568873019 /nfs/dbraw/zinc/87/30/19/568873019.db2.gz JNYPASGVNHFUAQ-SFHVURJKSA-N 0 0 434.323 5.326 50 0 IKAARN COc1ccc(C(=O)C[C@H](Nc2cccc(Cl)c2)c2ccc(Br)cc2)cc1 ZINC000016216205 568873198 /nfs/dbraw/zinc/87/31/98/568873198.db2.gz SIFSLADLZGYULJ-NRFANRHFSA-N 0 0 444.756 6.537 50 0 IKAARN COC(=O)c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc21 ZINC000016249661 568874968 /nfs/dbraw/zinc/87/49/68/568874968.db2.gz AVWLVJHLKIRFIN-UHFFFAOYSA-N 0 0 431.532 5.972 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000016262068 568875222 /nfs/dbraw/zinc/87/52/22/568875222.db2.gz XMQJEEYYYRCTIU-QHCPKHFHSA-N 0 0 431.923 5.172 50 0 IKAARN COc1cc(CC(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)ccc1C ZINC000026250562 568875912 /nfs/dbraw/zinc/87/59/12/568875912.db2.gz WSVGEMADLNAWCF-UHFFFAOYSA-N 0 0 438.549 5.047 50 0 IKAARN Cc1ccc(NC(=O)C(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1Cl ZINC000016312908 568876716 /nfs/dbraw/zinc/87/67/16/568876716.db2.gz XWGALAVLAYBYBT-UHFFFAOYSA-N 0 0 427.331 5.971 50 0 IKAARN CC(=O)Nc1ccc([C@H]2CC(c3ccc(C4CCCCC4)cc3)=NN2c2ccccc2)cc1 ZINC000016321187 568876920 /nfs/dbraw/zinc/87/69/20/568876920.db2.gz MRINSJAVAPGYGP-GDLZYMKVSA-N 0 0 437.587 7.048 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1NC(=O)c1ccco1 ZINC000016347646 568877652 /nfs/dbraw/zinc/87/76/52/568877652.db2.gz UDWDLQIURSDYMK-UHFFFAOYSA-N 0 0 427.416 5.494 50 0 IKAARN CCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Br)cc3)no2)cc1Cl ZINC000575608779 568878659 /nfs/dbraw/zinc/87/86/59/568878659.db2.gz YXQLXGQRGSRFAA-UHFFFAOYSA-N 0 0 445.704 5.608 50 0 IKAARN Cc1ccc(C)c(OCc2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 ZINC000026491994 568879302 /nfs/dbraw/zinc/87/93/02/568879302.db2.gz MGUHZUJSMJNXKV-QFIPXVFZSA-N 0 0 437.565 5.111 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)Sc2nc3c(n2C(=O)c2ccc(Cl)cn2)CCCC3)cc1 ZINC000000623433 568880106 /nfs/dbraw/zinc/88/01/06/568880106.db2.gz QWGDGZPNNGXSRI-HNNXBMFYSA-N 0 0 439.968 5.171 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1OC ZINC000006232528 568880705 /nfs/dbraw/zinc/88/07/05/568880705.db2.gz QDJZBEWSSRBWBF-WWVQUTLISA-N 0 0 441.571 6.239 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000006245023 568880845 /nfs/dbraw/zinc/88/08/45/568880845.db2.gz MXCVAMSMPZMGPM-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575616891 568881701 /nfs/dbraw/zinc/88/17/01/568881701.db2.gz LCABCRYUBQSLSG-NRFANRHFSA-N 0 0 445.993 5.071 50 0 IKAARN CCn1cc([C@@H]2Nc3c(sc4nc(C(F)(F)F)cc(-c5cccs5)c43)C(=O)N2)cn1 ZINC000006286785 568881971 /nfs/dbraw/zinc/88/19/71/568881971.db2.gz JGLOSXJPMTWLRE-MRXNPFEDSA-N 0 0 449.483 5.114 50 0 IKAARN CCOc1ccc(OCC)c(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c1 ZINC000035478598 568882693 /nfs/dbraw/zinc/88/26/93/568882693.db2.gz MJWPZPWHHZLSOF-UHFFFAOYSA-N 0 0 437.515 5.541 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1)N1CCCCC1 ZINC000035478593 568882757 /nfs/dbraw/zinc/88/27/57/568882757.db2.gz KDUDDSQTDBBCQL-UHFFFAOYSA-N 0 0 428.305 5.506 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619107 568882778 /nfs/dbraw/zinc/88/27/78/568882778.db2.gz GSCVHISDJMWVLL-UHFFFAOYSA-N 0 0 448.979 6.224 50 0 IKAARN c1csc(Cc2nnc(SCc3nc4ccccc4s3)n2C2CCCCC2)c1 ZINC000009466405 568883571 /nfs/dbraw/zinc/88/35/71/568883571.db2.gz SLSBTBAEXJQYGP-UHFFFAOYSA-N 0 0 426.636 6.338 50 0 IKAARN Cc1sc2[nH]c(C(Cl)=Cc3ccc4c(c3)OCCO4)nc(=O)c2c1-c1ccccc1 ZINC000009630465 568884111 /nfs/dbraw/zinc/88/41/11/568884111.db2.gz CQSYRAHEZNJIJC-WJDWOHSUSA-N 0 0 436.920 5.468 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000102425874 568884829 /nfs/dbraw/zinc/88/48/29/568884829.db2.gz RSSBHUYDZJLAIB-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)[C@H]1C ZINC000224762839 568885167 /nfs/dbraw/zinc/88/51/67/568885167.db2.gz BZRSUEVHRVRBST-VWKPWSFCSA-N 0 0 439.483 5.044 50 0 IKAARN CCCOc1ccc(Cn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006311319 568886194 /nfs/dbraw/zinc/88/61/94/568886194.db2.gz WRBVOANFDHTYTM-QFIPXVFZSA-N 0 0 426.604 7.224 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)[nH]n1 ZINC000090593272 568888887 /nfs/dbraw/zinc/88/88/87/568888887.db2.gz PXIQKHFCYGTJDH-UHFFFAOYSA-N 0 0 438.940 5.101 50 0 IKAARN Cc1c(CNC(=O)c2ccccc2C(F)(F)F)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593735 568889175 /nfs/dbraw/zinc/88/91/75/568889175.db2.gz HWAAWQZVHIDCII-UHFFFAOYSA-N 0 0 433.430 5.459 50 0 IKAARN COc1ccccc1NC=C1c2ccccc2C(=O)N(c2ccc(-c3ccccc3)cc2)C1=O ZINC000102931555 568890824 /nfs/dbraw/zinc/89/08/24/568890824.db2.gz SRVMUXJUVJAXLD-NCELDCMTSA-N 0 0 446.506 6.002 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cccc3C)C2=O)cc1 ZINC000102994967 568891117 /nfs/dbraw/zinc/89/11/17/568891117.db2.gz JXYWWEDPUAHCHM-KQWNVCNZSA-N 0 0 440.499 5.120 50 0 IKAARN O=C(c1cc(Br)ccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012977454 568891156 /nfs/dbraw/zinc/89/11/56/568891156.db2.gz ZZEPXDQQGKUUDT-LBPRGKRZSA-N 0 0 435.774 5.732 50 0 IKAARN Cc1sc2[nH]c(CN[C@@H](C)c3ccc(F)cc3F)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012977834 568891387 /nfs/dbraw/zinc/89/13/87/568891387.db2.gz CYZZBSSXTOCEKC-ZDUSSCGKSA-N 0 0 425.504 5.397 50 0 IKAARN CC[C@H](C)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1 ZINC000103083480 568892082 /nfs/dbraw/zinc/89/20/82/568892082.db2.gz JVJPQPSOCZAUMC-GDGUIRGDSA-N 0 0 434.561 5.245 50 0 IKAARN CCCCOc1ccccc1-c1cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)n[nH]1 ZINC000090610270 568892157 /nfs/dbraw/zinc/89/21/57/568892157.db2.gz DHNSSEZAAJTWPA-UHFFFAOYSA-N 0 0 429.904 5.179 50 0 IKAARN CCCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 ZINC000006323611 568892624 /nfs/dbraw/zinc/89/26/24/568892624.db2.gz XTJJSRYYKGTKSN-UHFFFAOYSA-N 0 0 430.662 5.508 50 0 IKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc(Br)s2)c1 ZINC000013096920 568892854 /nfs/dbraw/zinc/89/28/54/568892854.db2.gz GXCKQLXZZDMCRR-ZRDIBKRKSA-N 0 0 441.350 5.723 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)ccc1OC(F)F ZINC000013098630 568893002 /nfs/dbraw/zinc/89/30/02/568893002.db2.gz NJWNGBWHCBUUGL-YRNVUSSQSA-N 0 0 427.451 5.025 50 0 IKAARN Cc1ccc(C)c(CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)c1 ZINC000035529254 568893083 /nfs/dbraw/zinc/89/30/83/568893083.db2.gz LDOJIQGFIUIIJC-UHFFFAOYSA-N 0 0 432.574 5.063 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(=O)NC2CC2)C1 ZINC000006396886 568894178 /nfs/dbraw/zinc/89/41/78/568894178.db2.gz KLCVFPSMJHPFGR-OAHLLOKOSA-N 0 0 428.598 5.644 50 0 IKAARN O=C1CCCCC[C@H]1Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000012988834 568895356 /nfs/dbraw/zinc/89/53/56/568895356.db2.gz XGXLKSWECMNTRH-LJQANCHMSA-N 0 0 431.945 5.146 50 0 IKAARN CSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000032964039 568895768 /nfs/dbraw/zinc/89/57/68/568895768.db2.gz QVADDVDYWIJTBA-SAPNQHFASA-N 0 0 446.572 5.098 50 0 IKAARN CSc1nnc(Nc2ccccc2Br)n1-c1ccccc1Br ZINC000033711239 568896096 /nfs/dbraw/zinc/89/60/96/568896096.db2.gz IRYKUVPEENCZSK-UHFFFAOYSA-N 0 0 440.164 5.258 50 0 IKAARN COc1ccccc1NP(=O)(/C=C(/Cl)c1ccccc1)/C=C(/Cl)c1ccccc1 ZINC000033695349 568896158 /nfs/dbraw/zinc/89/61/58/568896158.db2.gz HXYJDQXODRIMAN-NWILIBCHSA-N 0 0 444.298 7.860 50 0 IKAARN CCc1ccccc1N1C(=O)C(=Cc2ccc(OCc3csc(C)n3)cc2)NC1=S ZINC000039982757 568896264 /nfs/dbraw/zinc/89/62/64/568896264.db2.gz JNHDCOYCMCFSMF-NDENLUEZSA-N 0 0 435.574 5.266 50 0 IKAARN Cc1sc(NC(=O)Cc2ccc(Cl)cc2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671322 568897155 /nfs/dbraw/zinc/89/71/55/568897155.db2.gz CLAAMPSOEQBVSG-UHFFFAOYSA-N 0 0 437.952 6.225 50 0 IKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1 ZINC000035671429 568897263 /nfs/dbraw/zinc/89/72/63/568897263.db2.gz BKZGFWCYYUQEEY-UHFFFAOYSA-N 0 0 447.516 5.615 50 0 IKAARN Cc1ccc(-c2noc(-c3c4c(sc3NC(=O)c3ccccc3Cl)CCCC4)n2)cc1 ZINC000035671327 568897312 /nfs/dbraw/zinc/89/73/12/568897312.db2.gz HRXFTCJMPFPEBM-UHFFFAOYSA-N 0 0 449.963 6.558 50 0 IKAARN C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(Cl)cc1Cl ZINC000013004542 568898841 /nfs/dbraw/zinc/89/88/41/568898841.db2.gz GMOPPPRAZWYHGL-JTQLQIEISA-N 0 0 440.377 5.184 50 0 IKAARN CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O ZINC000013005723 568899349 /nfs/dbraw/zinc/89/93/49/568899349.db2.gz USHNEJXAZKYULX-NSHDSACASA-N 0 0 432.596 5.566 50 0 IKAARN CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O ZINC000013005724 568899356 /nfs/dbraw/zinc/89/93/56/568899356.db2.gz USHNEJXAZKYULX-LLVKDONJSA-N 0 0 432.596 5.566 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2C(C)C)c1 ZINC000013008624 568899524 /nfs/dbraw/zinc/89/95/24/568899524.db2.gz CMNSKVANKXLYST-NRFANRHFSA-N 0 0 444.575 5.937 50 0 IKAARN O=C1c2ccccc2C(=CNc2cc(Cl)cc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000103004889 568900555 /nfs/dbraw/zinc/90/05/55/568900555.db2.gz PQPWLVDAOBTYCZ-UDWIEESQSA-N 0 0 443.717 6.287 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000103004896 568900587 /nfs/dbraw/zinc/90/05/87/568900587.db2.gz KYIIHTQJOBGUHT-ZXVVBBHZSA-N 0 0 430.507 6.302 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc4c3CCCC4)C2=O)cc1 ZINC000103004514 568900626 /nfs/dbraw/zinc/90/06/26/568900626.db2.gz KZTXRCWXAFUIGW-XIEYBQDHSA-N 0 0 438.527 5.604 50 0 IKAARN CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)CC(C)(C)C ZINC000016432130 568900731 /nfs/dbraw/zinc/90/07/31/568900731.db2.gz GKVBPFMTGWGPHQ-UHFFFAOYSA-N 0 0 432.568 5.153 50 0 IKAARN COc1ccc(N(Cc2nc(-c3cccs3)oc2C)S(=O)(=O)c2cccs2)cc1 ZINC000013011773 568900983 /nfs/dbraw/zinc/90/09/83/568900983.db2.gz OOAYWWYRIPYBHW-UHFFFAOYSA-N 0 0 446.575 5.177 50 0 IKAARN CCN(CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1)c1ccccc1 ZINC000110500782 568901250 /nfs/dbraw/zinc/90/12/50/568901250.db2.gz WYPUQCMXCOJEKG-UYRVNWCQSA-N 0 0 449.598 6.336 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1cccc2ccccc21 ZINC000001746376 568904145 /nfs/dbraw/zinc/90/41/45/568904145.db2.gz LZHOVZUYAGUBHF-UHFFFAOYSA-N 0 0 429.541 6.235 50 0 IKAARN Cc1ccc(C)c(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001749839 568904690 /nfs/dbraw/zinc/90/46/90/568904690.db2.gz ODERLUCHWQAXJZ-UHFFFAOYSA-N 0 0 446.978 6.583 50 0 IKAARN Fc1ccc(CN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C2CCCCC2)cc1 ZINC000026636584 568904856 /nfs/dbraw/zinc/90/48/56/568904856.db2.gz YZMRNOCPXRKSBW-UHFFFAOYSA-N 0 0 437.588 5.742 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)sc2c1CCC2 ZINC000001768789 568905731 /nfs/dbraw/zinc/90/57/31/568905731.db2.gz MJCIONQOPAYDLP-UHFFFAOYSA-N 0 0 449.572 5.367 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000001769290 568905892 /nfs/dbraw/zinc/90/58/92/568905892.db2.gz NICBHYAPLWRJMY-UHFFFAOYSA-N 0 0 446.333 7.144 50 0 IKAARN CCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001770156 568905942 /nfs/dbraw/zinc/90/59/42/568905942.db2.gz VWOKMIFZRJMFIH-ZDUSSCGKSA-N 0 0 447.281 5.068 50 0 IKAARN CC[C@@H](Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O)C(=O)OCc1ccccc1 ZINC000001769983 568905944 /nfs/dbraw/zinc/90/59/44/568905944.db2.gz TUUIRWKBFZAYAW-HSZRJFAPSA-N 0 0 444.483 5.795 50 0 IKAARN Cc1cccc(COc2ccc3c(c2)oc(C(F)(F)F)c(Oc2cccc(C)c2)c3=O)c1 ZINC000001770044 568905954 /nfs/dbraw/zinc/90/59/54/568905954.db2.gz NSDHDWAKSFNZLK-UHFFFAOYSA-N 0 0 440.417 6.800 50 0 IKAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770957 568906061 /nfs/dbraw/zinc/90/60/61/568906061.db2.gz POSUERSDQOZQBN-NSHDSACASA-N 0 0 440.801 5.463 50 0 IKAARN COC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770248 568906065 /nfs/dbraw/zinc/90/60/65/568906065.db2.gz YMPAKZXJGSECRK-SNVBAGLBSA-N 0 0 426.774 5.073 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OCc3ccc(F)cc3)cc2oc1C(F)(F)F ZINC000001770211 568906201 /nfs/dbraw/zinc/90/62/01/568906201.db2.gz PYDAWXQKQNNLEN-UHFFFAOYSA-N 0 0 444.380 6.206 50 0 IKAARN COc1cc(/C=C\c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc(OC)c1OC ZINC000224122780 568906208 /nfs/dbraw/zinc/90/62/08/568906208.db2.gz MGMATUWTRKBQME-KTKRTIGZSA-N 0 0 448.504 5.104 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 ZINC000001773631 568906250 /nfs/dbraw/zinc/90/62/50/568906250.db2.gz RDIXDUUYTLZKMM-AWEZNQCLSA-N 0 0 435.973 5.501 50 0 IKAARN Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1Cl ZINC000001774332 568906304 /nfs/dbraw/zinc/90/63/04/568906304.db2.gz DYFNXBOWOPNPLG-KRWDZBQOSA-N 0 0 433.766 6.536 50 0 IKAARN O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3ccc(Cl)cc3)ccc21 ZINC000001772378 568906326 /nfs/dbraw/zinc/90/63/26/568906326.db2.gz BZRQMXYPOBDFNS-UHFFFAOYSA-N 0 0 428.871 6.971 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)c1ccccc1Cl ZINC000001772399 568906332 /nfs/dbraw/zinc/90/63/32/568906332.db2.gz ONVQONBFHIRNNM-UHFFFAOYSA-N 0 0 442.854 6.611 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000001773648 568906378 /nfs/dbraw/zinc/90/63/78/568906378.db2.gz LRJNCFQLDYBMIY-UHFFFAOYSA-N 0 0 443.952 6.043 50 0 IKAARN CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000001773537 568906395 /nfs/dbraw/zinc/90/63/95/568906395.db2.gz SIIGUQCKOJUDFW-UHFFFAOYSA-N 0 0 438.593 6.304 50 0 IKAARN Cc1cc(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)cc(C)c1Cl ZINC000001775158 568906438 /nfs/dbraw/zinc/90/64/38/568906438.db2.gz YPILLHZYTDZBQN-MRXNPFEDSA-N 0 0 444.911 5.822 50 0 IKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000001775421 568906483 /nfs/dbraw/zinc/90/64/83/568906483.db2.gz BBYOSXXLKPQUAB-UHFFFAOYSA-N 0 0 446.934 6.696 50 0 IKAARN CCCCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc32)cc1 ZINC000001777783 568906658 /nfs/dbraw/zinc/90/66/58/568906658.db2.gz HEMKCNLPKQVRNX-UHFFFAOYSA-N 0 0 434.536 6.201 50 0 IKAARN Cc1c(OC(=O)CCC2CCCC2)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 ZINC000001779864 568906706 /nfs/dbraw/zinc/90/67/06/568906706.db2.gz PCDBUTKIPQXLLZ-UHFFFAOYSA-N 0 0 433.529 6.254 50 0 biogenic IKAARN Cc1ccc(-c2csc3ncn([C@H](C)C(=O)OCc4ccccc4Cl)c(=O)c23)cc1 ZINC000001778438 568906723 /nfs/dbraw/zinc/90/67/23/568906723.db2.gz RIDCLXOZBWYZGL-OAHLLOKOSA-N 0 0 438.936 5.391 50 0 IKAARN C[C@@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)OCc1ccccc1Cl ZINC000001778551 568906768 /nfs/dbraw/zinc/90/67/68/568906768.db2.gz QIYPBDGZBPLTQB-QWHCGFSZSA-N 0 0 432.998 5.694 50 0 IKAARN Cc1ccc(-n2c(CNC(=O)Nc3cccc(F)c3)nnc2SCc2ccccc2)cc1 ZINC000035706544 568907068 /nfs/dbraw/zinc/90/70/68/568907068.db2.gz SJKGOBXVSRGHAM-UHFFFAOYSA-N 0 0 447.539 5.329 50 0 IKAARN Cc1cccc(Oc2coc3cc(OCc4cccc(Br)c4)ccc3c2=O)c1 ZINC000001781893 568907118 /nfs/dbraw/zinc/90/71/18/568907118.db2.gz VITQFTIONJVDRO-UHFFFAOYSA-N 0 0 437.289 6.235 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1ccccc1OC ZINC000001782471 568907136 /nfs/dbraw/zinc/90/71/36/568907136.db2.gz BUOQLIJQDQKZRC-JLHYYAGUSA-N 0 0 425.481 5.391 50 0 IKAARN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2-c2ccccc2)c1 ZINC000006442772 568907330 /nfs/dbraw/zinc/90/73/30/568907330.db2.gz WJIZQXYSGVGUDB-HXUWFJFHSA-N 0 0 442.588 5.979 50 0 IKAARN Cc1sc2ncnc(SCc3ccc(Br)cc3)c2c1-c1ccccc1 ZINC000001787579 568907690 /nfs/dbraw/zinc/90/76/90/568907690.db2.gz QPFICPWKHNDZBY-UHFFFAOYSA-N 0 0 427.392 6.722 50 0 IKAARN CCc1ccccc1N1C(=O)C(Nc2cccc(OC)c2)=C(Sc2ccc(C)cc2)C1=O ZINC000001788419 568907837 /nfs/dbraw/zinc/90/78/37/568907837.db2.gz SRMUBMAEIPGPFJ-UHFFFAOYSA-N 0 0 444.556 5.555 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000001789818 568907875 /nfs/dbraw/zinc/90/78/75/568907875.db2.gz DGMIALXAIIGBLP-NEPJUHHUSA-N 0 0 448.013 5.597 50 0 IKAARN Cc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C(C)(C)C)c1 ZINC000001792007 568907935 /nfs/dbraw/zinc/90/79/35/568907935.db2.gz JYAAWEAMJYGQFE-UHFFFAOYSA-N 0 0 446.978 6.402 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(Cl)cc32)cc1 ZINC000001791677 568907938 /nfs/dbraw/zinc/90/79/38/568907938.db2.gz ZHVMEZPHBSDPBH-HPNDGRJYSA-N 0 0 433.891 6.171 50 0 IKAARN CCOC(=O)c1ccc(CSc2nc(=O)c3c([nH]2)sc(C)c3-c2ccccc2)cc1 ZINC000001792221 568907980 /nfs/dbraw/zinc/90/79/80/568907980.db2.gz OAEDPKDPIIBIAG-UHFFFAOYSA-N 0 0 436.558 5.429 50 0 IKAARN CCn1c(=O)c2c(nc1SCCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000001794024 568908123 /nfs/dbraw/zinc/90/81/23/568908123.db2.gz OZQBPIDBWUJYGF-UHFFFAOYSA-N 0 0 430.617 6.023 50 0 biogenic IKAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000001796374 568908125 /nfs/dbraw/zinc/90/81/25/568908125.db2.gz REELEQXOTBGKDL-UHFFFAOYSA-N 0 0 437.348 5.472 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccccc3C)c(Br)cc2oc1C(C)(C)C ZINC000001798897 568908261 /nfs/dbraw/zinc/90/82/61/568908261.db2.gz JOADSYZPCLILCV-UHFFFAOYSA-N 0 0 445.353 6.557 50 0 IKAARN COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Sc2ccc(Cl)cc2)cc1OC ZINC000001798846 568908310 /nfs/dbraw/zinc/90/83/10/568908310.db2.gz SMEVVCCXYQHTEQ-HSZRJFAPSA-N 0 0 447.383 7.117 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)C(C)(C)C)c(Br)cc2oc1-c1ccccc1 ZINC000001799018 568908369 /nfs/dbraw/zinc/90/83/69/568908369.db2.gz FALIZLYMQPASNI-UHFFFAOYSA-N 0 0 445.309 5.991 50 0 IKAARN Cc1oc2cc(Br)c(OCc3cccc(Cl)c3)cc2c1C(=O)OC(C)C ZINC000001799046 568908380 /nfs/dbraw/zinc/90/83/80/568908380.db2.gz PSLZGMSPRUCLBL-UHFFFAOYSA-N 0 0 437.717 6.301 50 0 IKAARN CCc1cc2c(cc1OC(=O)C(C)C)oc(C(C)C)c(-c1nc3ccccc3s1)c2=O ZINC000001799118 568908384 /nfs/dbraw/zinc/90/83/84/568908384.db2.gz VSDOJWFTSTWNMK-UHFFFAOYSA-N 0 0 435.545 6.317 50 0 biogenic IKAARN Cc1oc2cc(Br)c(OCc3ccc(Cl)cc3)cc2c1C(=O)OC(C)C ZINC000001799047 568908386 /nfs/dbraw/zinc/90/83/86/568908386.db2.gz IGFDPZCOSPYYCO-UHFFFAOYSA-N 0 0 437.717 6.301 50 0 IKAARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)c1nc3ccccc3nc12 ZINC000001805558 568908691 /nfs/dbraw/zinc/90/86/91/568908691.db2.gz JYBVZJLFWMPHMK-PKTZIBPZSA-N 0 0 426.347 5.904 50 0 IKAARN COc1cccc(Nc2nc(-c3cccc(NC(=O)C[C@H](C)CC(C)(C)C)c3)cs2)c1 ZINC000035730467 568908890 /nfs/dbraw/zinc/90/88/90/568908890.db2.gz TUINHYCBKBWSFH-KRWDZBQOSA-N 0 0 437.609 6.963 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1sc(Nc2ccccc2)nc1-c1ccccc1 ZINC000001808457 568908943 /nfs/dbraw/zinc/90/89/43/568908943.db2.gz JPRSGTITSBCIPU-UHFFFAOYSA-N 0 0 439.462 6.825 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577143 568909618 /nfs/dbraw/zinc/90/96/18/568909618.db2.gz SSHVRSKIJMVKPD-AHKZPQOWSA-N 0 0 440.930 6.744 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577196 568909661 /nfs/dbraw/zinc/90/96/61/568909661.db2.gz OOKRFUKWXZYURM-AHWVRZQESA-N 0 0 428.894 6.875 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000025576319 568909685 /nfs/dbraw/zinc/90/96/85/568909685.db2.gz NHYYOSCGYDQLFO-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN C[C@H](CC(=O)NC[C@H](C)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000390832919 568909710 /nfs/dbraw/zinc/90/97/10/568909710.db2.gz ACMXXXDIHBGZSY-SJORKVTESA-N 0 0 445.629 5.189 50 0 IKAARN CCc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001816368 568915234 /nfs/dbraw/zinc/91/52/34/568915234.db2.gz UYNJWAGQACNKTQ-UHFFFAOYSA-N 0 0 432.951 6.139 50 0 IKAARN O=C1C(Nc2cccc(O)c2)=C(Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000001810748 568915354 /nfs/dbraw/zinc/91/53/54/568915354.db2.gz OIDUCOCFUZPIJM-UHFFFAOYSA-N 0 0 436.920 5.030 50 0 IKAARN CCc1cc2c(cc1OC/C=C/c1ccccc1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001813350 568915415 /nfs/dbraw/zinc/91/54/15/568915415.db2.gz GHFNBODGRQMYJR-RMKNXTFCSA-N 0 0 440.495 5.886 50 0 IKAARN CCc1ccc(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001817426 568915468 /nfs/dbraw/zinc/91/54/68/568915468.db2.gz OCJAYDQUPGVXJK-UHFFFAOYSA-N 0 0 446.978 6.529 50 0 IKAARN Fc1ccc(-c2nnc3c(Oc4ccc(-c5ccccc5)cc4)nc4ccccc4n23)cc1 ZINC000001818058 568915719 /nfs/dbraw/zinc/91/57/19/568915719.db2.gz XAIJQBOHVRLJNV-UHFFFAOYSA-N 0 0 432.458 6.543 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001828481 568915773 /nfs/dbraw/zinc/91/57/73/568915773.db2.gz JTJMTFURXCGSPY-SFHVURJKSA-N 0 0 428.623 5.300 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(Cl)cc1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001832411 568916020 /nfs/dbraw/zinc/91/60/20/568916020.db2.gz ODTLWDFVIYINID-UHFFFAOYSA-N 0 0 448.902 6.026 50 0 biogenic IKAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000001835334 568916118 /nfs/dbraw/zinc/91/61/18/568916118.db2.gz FUIAQFQHNYOZQY-XLNRJJMWSA-N 0 0 447.604 5.232 50 0 IKAARN Cc1ccc(C(C)C)c(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001832724 568916123 /nfs/dbraw/zinc/91/61/23/568916123.db2.gz VQWNHPGVXWZMBZ-UHFFFAOYSA-N 0 0 432.951 6.228 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1c(Cl)cccc1Cl ZINC000001834073 568916181 /nfs/dbraw/zinc/91/61/81/568916181.db2.gz UKKAXOODIVIEBF-UHFFFAOYSA-N 0 0 445.733 6.103 50 0 IKAARN CC(C)c1ccccc1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001834505 568916205 /nfs/dbraw/zinc/91/62/05/568916205.db2.gz KIPGXRCWRPWPQR-UHFFFAOYSA-N 0 0 446.978 6.700 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001838021 568916266 /nfs/dbraw/zinc/91/62/66/568916266.db2.gz IENKWVXXMRTHSD-ZDUSSCGKSA-N 0 0 447.387 6.894 50 0 IKAARN CCc1c(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)noc1-c1ccc(Cl)s1 ZINC000089282599 568916581 /nfs/dbraw/zinc/91/65/81/568916581.db2.gz OHZZUPIKNMBEJN-LJQANCHMSA-N 0 0 443.956 5.311 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1SC[C@@H]1CCCO1 ZINC000026783402 568916815 /nfs/dbraw/zinc/91/68/15/568916815.db2.gz JIZZOYCVUUWYSG-KRWDZBQOSA-N 0 0 445.009 5.911 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(OC)cc1 ZINC000001866960 568916986 /nfs/dbraw/zinc/91/69/86/568916986.db2.gz IFZXLUFTXQBRSN-NDEPHWFRSA-N 0 0 445.603 6.443 50 0 biogenic IKAARN Ic1ccc2sc3ccc(I)cc3c2c1 ZINC000034080155 568917206 /nfs/dbraw/zinc/91/72/06/568917206.db2.gz JUMCSMONVKDUIB-UHFFFAOYSA-N 0 0 436.055 5.264 50 0 IKAARN CCCOc1ccc(-c2nc3ccccc3c(Oc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000001888943 568917638 /nfs/dbraw/zinc/91/76/38/568917638.db2.gz DTCGDKJRWQTMLY-UHFFFAOYSA-N 0 0 432.523 7.545 50 0 IKAARN Oc1c2ccccc2ccc1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1 ZINC000001900713 568918197 /nfs/dbraw/zinc/91/81/97/568918197.db2.gz SWDSYIJIAPJGOL-UHFFFAOYSA-N 0 0 426.313 7.190 50 0 IKAARN O=c1/c(=C/c2ccccc2OCc2cccc3ccccc32)sc2nc3ccccc3n12 ZINC000006460791 568918277 /nfs/dbraw/zinc/91/82/77/568918277.db2.gz UDKRDUSEZAPGNP-XYGWBWBKSA-N 0 0 434.520 5.189 50 0 IKAARN C[C@H](Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)C(=O)OCc1ccccc1 ZINC000001904881 568919465 /nfs/dbraw/zinc/91/94/65/568919465.db2.gz HWOUMCYAHJFRHM-INIZCTEOSA-N 0 0 434.875 5.624 50 0 IKAARN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc(Cl)c2)cc1 ZINC000006472297 568919881 /nfs/dbraw/zinc/91/98/81/568919881.db2.gz KYZNHYVAHJUNOF-OAQYLSRUSA-N 0 0 438.877 5.682 50 0 IKAARN CCS(=O)(=O)Oc1ccc(CN(C(=O)c2ccc(-c3ccccc3)cc2)C(C)C)cc1 ZINC000016498230 568920397 /nfs/dbraw/zinc/92/03/97/568920397.db2.gz WHXOMOGGNYIWNW-UHFFFAOYSA-N 0 0 437.561 5.133 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)cc1 ZINC000089365499 568921143 /nfs/dbraw/zinc/92/11/43/568921143.db2.gz VUKBYKMKRJYCBJ-UHFFFAOYSA-N 0 0 436.316 5.038 50 0 IKAARN C[C@@H](NC(=O)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N(C)C)c1ccccc1 ZINC000016568013 568921300 /nfs/dbraw/zinc/92/13/00/568921300.db2.gz MNVIWWFWTPZQHS-DKODJIDWSA-N 0 0 445.607 5.399 50 0 IKAARN CCCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)cc4C)c(=O)c23)cc1 ZINC000001911998 568922329 /nfs/dbraw/zinc/92/23/29/568922329.db2.gz CDCKMCPMSJPWFD-UHFFFAOYSA-N 0 0 447.560 5.169 50 0 IKAARN CC(C)c1ccc(N2C(=O)C(Nc3ccc(F)cc3)=C(Sc3ccccc3)C2=O)cc1 ZINC000001918471 568922849 /nfs/dbraw/zinc/92/28/49/568922849.db2.gz UGYWJTOBGIATIV-UHFFFAOYSA-N 0 0 432.520 5.938 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2ccccc2)CC1 ZINC000035794791 568923147 /nfs/dbraw/zinc/92/31/47/568923147.db2.gz XEZLEARHRPVXQU-HSZRJFAPSA-N 0 0 436.644 5.193 50 0 IKAARN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(CC)cc3)cc2)n1 ZINC000035793671 568923193 /nfs/dbraw/zinc/92/31/93/568923193.db2.gz PFTWJDWGJMDDPN-UHFFFAOYSA-N 0 0 430.483 5.287 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001924976 568923231 /nfs/dbraw/zinc/92/32/31/568923231.db2.gz PKDNWRNANUFYEV-UHFFFAOYSA-N 0 0 441.552 6.362 50 0 IKAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000001921607 568923299 /nfs/dbraw/zinc/92/32/99/568923299.db2.gz JDOPSGCGXNXSME-UHFFFAOYSA-N 0 0 443.138 7.197 50 0 IKAARN COc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccc(C)cc32)c(OC)c1 ZINC000001927745 568923504 /nfs/dbraw/zinc/92/35/04/568923504.db2.gz VPKFZHZMTHBWKY-SZXQPVLSSA-N 0 0 431.488 5.675 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3Cl)oc2cc1C ZINC000001948827 568923632 /nfs/dbraw/zinc/92/36/32/568923632.db2.gz SBURZCIAKBKWMD-UHFFFAOYSA-N 0 0 445.733 7.324 50 0 IKAARN CC(=O)Nc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)cc1 ZINC000001944666 568923713 /nfs/dbraw/zinc/92/37/13/568923713.db2.gz WIMVMGMPFLLVSM-YYADALCUSA-N 0 0 433.305 6.053 50 0 IKAARN COc1ccc(C(=O)Oc2cc(-c3ccc(OC)cc3)cc(=O)c3c(C)oc(C)c32)cc1 ZINC000001106356 568924569 /nfs/dbraw/zinc/92/45/69/568924569.db2.gz CTIALLAKSUTWLK-UHFFFAOYSA-N 0 0 430.456 5.313 50 0 biogenic IKAARN COc1ccc(CN(CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856808 568924660 /nfs/dbraw/zinc/92/46/60/568924660.db2.gz FKKMHJUUPABHDA-ISKFKSNPSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN COc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2OC)C(=O)c2ccco2)cc1 ZINC000001134121 568924761 /nfs/dbraw/zinc/92/47/61/568924761.db2.gz BSTNPWDDTFDFKK-QHCPKHFHSA-N 0 0 445.515 5.754 50 0 biogenic IKAARN COc1ccc(C(=O)COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)cc1 ZINC000002126297 568924967 /nfs/dbraw/zinc/92/49/67/568924967.db2.gz OFRJFYNFZRBUOX-UHFFFAOYSA-N 0 0 428.484 5.271 50 0 biogenic IKAARN CCOC(=O)c1oc2cc(OC)c(CC)cc2c(=O)c1-c1csc(-c2ccccc2)n1 ZINC000002090641 568925032 /nfs/dbraw/zinc/92/50/32/568925032.db2.gz MABISOXIIZETBG-UHFFFAOYSA-N 0 0 435.501 5.331 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3Cl)c2)cc1 ZINC000002140241 568925051 /nfs/dbraw/zinc/92/50/51/568925051.db2.gz HNZNICXLJRXOOQ-UHFFFAOYSA-N 0 0 434.875 5.958 50 0 biogenic IKAARN CCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000035806681 568926215 /nfs/dbraw/zinc/92/62/15/568926215.db2.gz HJRXTKIVYWTYGQ-UHFFFAOYSA-N 0 0 448.526 6.047 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)n1Cc1ccccc1 ZINC000026929631 568927528 /nfs/dbraw/zinc/92/75/28/568927528.db2.gz DGLQNDYTQSNJDL-UHFFFAOYSA-N 0 0 446.601 5.517 50 0 IKAARN CCCCNC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000035815796 568927547 /nfs/dbraw/zinc/92/75/47/568927547.db2.gz VZWQDVWXEQYEKZ-HHHXNRCGSA-N 0 0 438.615 6.745 50 0 IKAARN CSCC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000016645703 568927702 /nfs/dbraw/zinc/92/77/02/568927702.db2.gz MQONJBBTRMPNOU-DEOSSOPVSA-N 0 0 429.589 5.696 50 0 IKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000064438980 568928034 /nfs/dbraw/zinc/92/80/34/568928034.db2.gz HXLMMUIRSSKUNU-UHFFFAOYSA-N 0 0 428.330 5.359 50 0 IKAARN COc1ccc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCCC3)cc1Cl ZINC000064449937 568928990 /nfs/dbraw/zinc/92/89/90/568928990.db2.gz VELXQSIDTAOQEJ-UHFFFAOYSA-N 0 0 433.943 5.308 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450157 568929013 /nfs/dbraw/zinc/92/90/13/568929013.db2.gz VUWJZGBHVKPKHM-UHFFFAOYSA-N 0 0 440.334 5.148 50 0 IKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(Br)cc5)n3n2)CCCC4)cc1 ZINC000064449978 568929052 /nfs/dbraw/zinc/92/90/52/568929052.db2.gz QRDRFFDHAGTQGM-UHFFFAOYSA-N 0 0 448.368 5.408 50 0 IKAARN COc1cccc(-c2ccc(CNC(=O)Nc3cccc4ccccc43)c3cnccc23)c1 ZINC000035844629 568929058 /nfs/dbraw/zinc/92/90/58/568929058.db2.gz UDZFUXFTWFZVPR-UHFFFAOYSA-N 0 0 433.511 6.385 50 0 IKAARN COc1ccc(NC(=O)NCc2ccc(-c3ccc(OC)c(C)c3)c3ccncc23)cc1 ZINC000035844647 568929270 /nfs/dbraw/zinc/92/92/70/568929270.db2.gz GFKQAJHABYVIMS-UHFFFAOYSA-N 0 0 427.504 5.549 50 0 IKAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1cccs1 ZINC000016653651 568929565 /nfs/dbraw/zinc/92/95/65/568929565.db2.gz KEBRLCIPNLKHEW-MRXNPFEDSA-N 0 0 447.553 5.096 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)ccc2c1 ZINC000006523081 568929573 /nfs/dbraw/zinc/92/95/73/568929573.db2.gz MIQWJXJGTXMVNG-GRJZNYKUSA-N 0 0 426.553 5.499 50 0 IKAARN Cc1cc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)ccc1Br ZINC000064471867 568929822 /nfs/dbraw/zinc/92/98/22/568929822.db2.gz INFBMHOXAPEVSD-UHFFFAOYSA-N 0 0 442.382 5.238 50 0 IKAARN CCOC(=O)c1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc32)c1 ZINC000064474033 568929960 /nfs/dbraw/zinc/92/99/60/568929960.db2.gz QUXFZOWUCVMLJP-UHFFFAOYSA-N 0 0 447.535 5.036 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000064472552 568929981 /nfs/dbraw/zinc/92/99/81/568929981.db2.gz DRHNAPAQFZICFF-UHFFFAOYSA-N 0 0 446.572 6.564 50 0 IKAARN COc1cc(OC)c(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1Cl ZINC000064472465 568930039 /nfs/dbraw/zinc/93/00/39/568930039.db2.gz LBLLOBBOFPQSAM-UHFFFAOYSA-N 0 0 438.936 6.129 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(C)cc4C)c3)cn2)c1 ZINC000064474158 568930117 /nfs/dbraw/zinc/93/01/17/568930117.db2.gz XFTROPLMWXNEGS-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN CCc1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3cc(OC)c(OC)cc32)c1 ZINC000064474093 568930159 /nfs/dbraw/zinc/93/01/59/568930159.db2.gz PNFHWGXABSLTCP-UHFFFAOYSA-N 0 0 433.552 5.430 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)cc4C)cc3)cn2)cc1 ZINC000064474152 568930198 /nfs/dbraw/zinc/93/01/98/568930198.db2.gz KVQWQGDKXVFEOH-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(C)c(Cl)c3)c2cc1OC ZINC000064474060 568930216 /nfs/dbraw/zinc/93/02/16/568930216.db2.gz RPZDMXLXQALLNN-UHFFFAOYSA-N 0 0 439.943 5.584 50 0 IKAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)Nc4cccc(F)c4)CC3)n2)c1 ZINC000035890723 568930941 /nfs/dbraw/zinc/93/09/41/568930941.db2.gz XOPHVLJKWZBQSP-UHFFFAOYSA-N 0 0 447.558 5.377 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000002025850 568931362 /nfs/dbraw/zinc/93/13/62/568931362.db2.gz QWEHNOJLQPUNAB-UHFFFAOYSA-N 0 0 440.568 6.591 50 0 IKAARN c1ccc(COc2ccccc2OCCOc2ccccc2OCc2ccccc2)cc1 ZINC000002026713 568931843 /nfs/dbraw/zinc/93/18/43/568931843.db2.gz RGFYBNQQIXODGA-UHFFFAOYSA-N 0 0 426.512 6.302 50 0 IKAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(CC)CC)[C@H](C)c2ccccc2)c1 ZINC000035944388 568932260 /nfs/dbraw/zinc/93/22/60/568932260.db2.gz PYJDDULSERJOKW-LJQANCHMSA-N 0 0 438.616 5.420 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000064567888 568933667 /nfs/dbraw/zinc/93/36/67/568933667.db2.gz INPQXRKZFXOOSH-UHFFFAOYSA-N 0 0 425.897 5.088 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)ncn1 ZINC000064568564 568933671 /nfs/dbraw/zinc/93/36/71/568933671.db2.gz DGIDDDXLNVWSIG-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN CCOC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(F)cc32)cc1 ZINC000064568443 568933757 /nfs/dbraw/zinc/93/37/57/568933757.db2.gz ZDQUXCYBWXQGJM-UHFFFAOYSA-N 0 0 435.499 5.166 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-c3cc(Oc4cccc(OC)c4)ncn3)cc2)c1 ZINC000064568587 568933906 /nfs/dbraw/zinc/93/39/06/568933906.db2.gz AHJZTVOVPFCTAQ-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccccc1CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1 ZINC000006582589 568933934 /nfs/dbraw/zinc/93/39/34/568933934.db2.gz MCHXCYXVUZFQNC-QGZVFWFLSA-N 0 0 426.561 5.254 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)N(C)Cc3ccccc3)c2)ncn1 ZINC000064578470 568933945 /nfs/dbraw/zinc/93/39/45/568933945.db2.gz NWUJXSSMDXNMLG-UHFFFAOYSA-N 0 0 425.488 5.217 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)ncn1 ZINC000064568570 568933966 /nfs/dbraw/zinc/93/39/66/568933966.db2.gz HXASPBUKVTWIRW-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cc(Oc4ccccc4OC)ncn3)c2)cc1 ZINC000064578459 568933988 /nfs/dbraw/zinc/93/39/88/568933988.db2.gz FOTLOJIOHVYQFG-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3cc(Oc4cccc(OC)c4)ncn3)cc2)cc1 ZINC000064568593 568933995 /nfs/dbraw/zinc/93/39/95/568933995.db2.gz SBULGASSUVNVBP-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(-c2cc(Oc3ccc(OC)cc3)ncn2)c1 ZINC000064578360 568934029 /nfs/dbraw/zinc/93/40/29/568934029.db2.gz XAHIUBBZBZGEHB-UHFFFAOYSA-N 0 0 441.487 5.596 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)ncn2)cc1 ZINC000064578594 568934040 /nfs/dbraw/zinc/93/40/40/568934040.db2.gz ZFSDULZCXOETSB-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCc4cccc(C)c4)c3)ncn2)cc1 ZINC000064578596 568934052 /nfs/dbraw/zinc/93/40/52/568934052.db2.gz IOWRUTLJNAYNSI-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccc(Cl)cc4)c3)ncn2)cc1 ZINC000064578386 568934149 /nfs/dbraw/zinc/93/41/49/568934149.db2.gz IWUSBLSCMVDOSR-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1OC ZINC000006591649 568934696 /nfs/dbraw/zinc/93/46/96/568934696.db2.gz GAZAZNIWRNDPRY-VFNWGFHPSA-N 0 0 428.598 6.125 50 0 IKAARN CCn1c2cc(NC(=O)Nc3ccc(C)cc3C)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591070 568935486 /nfs/dbraw/zinc/93/54/86/568935486.db2.gz BAYJZPTUJGEAJE-UHFFFAOYSA-N 0 0 435.572 5.094 50 0 IKAARN CCOc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1OCC ZINC000006601846 568936334 /nfs/dbraw/zinc/93/63/34/568936334.db2.gz ZXWCFTSFYDDXJI-UHFFFAOYSA-N 0 0 443.931 5.238 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000035978622 568936350 /nfs/dbraw/zinc/93/63/50/568936350.db2.gz UNMXBFANVWYGQW-UHFFFAOYSA-N 0 0 438.547 5.596 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl ZINC000006601813 568936392 /nfs/dbraw/zinc/93/63/92/568936392.db2.gz RBOIBLSSLOIRTG-UHFFFAOYSA-N 0 0 430.913 5.313 50 0 IKAARN CCNC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000035978628 568936446 /nfs/dbraw/zinc/93/64/46/568936446.db2.gz QTYUUJSLEUPTGG-UHFFFAOYSA-N 0 0 448.498 5.343 50 0 IKAARN CCCCOc1ccc(NC(=S)N2CCn3c4c(c(=O)c5cc(C)ccc53)CC[C@@H]42)cc1 ZINC000002031174 568936950 /nfs/dbraw/zinc/93/69/50/568936950.db2.gz BPBTYYQMIRVLNK-QHCPKHFHSA-N 0 0 447.604 5.189 50 0 biogenic IKAARN CCOC(=O)c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc21 ZINC000016683028 568937829 /nfs/dbraw/zinc/93/78/29/568937829.db2.gz LQUSMVIRXLQROO-UHFFFAOYSA-N 0 0 445.559 6.362 50 0 IKAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)ccc12 ZINC000089568503 568937842 /nfs/dbraw/zinc/93/78/42/568937842.db2.gz LWZHKBDKLUVQPM-UHFFFAOYSA-N 0 0 436.916 6.266 50 0 IKAARN CCCCNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000027017257 568938021 /nfs/dbraw/zinc/93/80/21/568938021.db2.gz PQAGPEFZDHXHBT-HKOYGPOVSA-N 0 0 448.950 5.820 50 0 IKAARN CC(C)CNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000027017251 568938026 /nfs/dbraw/zinc/93/80/26/568938026.db2.gz BWNSSQOIWPOODI-LFVJCYFKSA-N 0 0 448.950 5.675 50 0 IKAARN COc1ccccc1-c1coc2c(ccc3c2CN(CCCc2ccccc2)CO3)c1=O ZINC000054313300 568938749 /nfs/dbraw/zinc/93/87/49/568938749.db2.gz UEBQLKXNUQPFIX-UHFFFAOYSA-N 0 0 427.500 5.253 50 0 biogenic IKAARN C(=C/c1nn2c(nnc2-c2ccncc2)s1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027024047 568939222 /nfs/dbraw/zinc/93/92/22/568939222.db2.gz KAWAXHYIKYZLRV-VAWYXSNFSA-N 0 0 447.527 5.271 50 0 IKAARN CC(C)(C)c1ccc(/C=c2/sc3nc([C@@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 ZINC000027024229 568939277 /nfs/dbraw/zinc/93/92/77/568939277.db2.gz JPSWSTZSCDNWPX-QIXNYHOWSA-N 0 0 448.419 5.055 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)cc1Cl ZINC000064605795 568939661 /nfs/dbraw/zinc/93/96/61/568939661.db2.gz PXOISJNDGRTQHV-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1 ZINC000064605890 568939777 /nfs/dbraw/zinc/93/97/77/568939777.db2.gz ZCKGWIHGZOQRQH-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606076 568939808 /nfs/dbraw/zinc/93/98/08/568939808.db2.gz QYCRFOPBCZKSIC-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1Cl ZINC000064605887 568939902 /nfs/dbraw/zinc/93/99/02/568939902.db2.gz ORZSMDHZITYABB-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1Cl ZINC000064611073 568940063 /nfs/dbraw/zinc/94/00/63/568940063.db2.gz HFBPHNUNVGFRJK-UHFFFAOYSA-N 0 0 437.931 5.440 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(=O)NC(C)C ZINC000035980346 568940257 /nfs/dbraw/zinc/94/02/57/568940257.db2.gz XLTKURKWHUIWAG-UHFFFAOYSA-N 0 0 436.556 5.218 50 0 IKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccnc1Oc1ccc(Cl)cc1 ZINC000002054172 568940982 /nfs/dbraw/zinc/94/09/82/568940982.db2.gz HYOYAJFZHZFHST-UHFFFAOYSA-N 0 0 428.102 6.740 50 0 IKAARN Cc1nc(Oc2ccc(Cl)cc2)c(C(=O)NCc2ccc(Cl)cc2)c(C)c1Cl ZINC000002054180 568940990 /nfs/dbraw/zinc/94/09/90/568940990.db2.gz KPYRSSAURXLFAQ-UHFFFAOYSA-N 0 0 435.738 6.381 50 0 IKAARN C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000002061694 568941269 /nfs/dbraw/zinc/94/12/69/568941269.db2.gz OUBQGDMIPVYDSO-ZCFIWIBFSA-N 0 0 448.055 6.120 50 0 IKAARN O=C(C1=C(c2ccccc2)N(c2ccccc2)[C@@](O)(Nc2ccccc2)C1=O)c1ccccc1 ZINC000008382518 568941291 /nfs/dbraw/zinc/94/12/91/568941291.db2.gz JJVWKRXIHIHNQW-LJAQVGFWSA-N 0 0 446.506 5.128 50 0 IKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3nnc(-c4ccccc4C)s3)cc2)cc1 ZINC000002067548 568941307 /nfs/dbraw/zinc/94/13/07/568941307.db2.gz HWMWPXUZSRGHDW-UHFFFAOYSA-N 0 0 441.600 7.166 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002063291 568941363 /nfs/dbraw/zinc/94/13/63/568941363.db2.gz UMMVFCPDAHCDHR-UHFFFAOYSA-N 0 0 449.293 7.314 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccccc3)C2)c1 ZINC000064656203 568941981 /nfs/dbraw/zinc/94/19/81/568941981.db2.gz XEPMOBZFNFNBOU-UHFFFAOYSA-N 0 0 429.545 5.299 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000064658289 568942024 /nfs/dbraw/zinc/94/20/24/568942024.db2.gz WEUFXSWRTGRUQJ-UHFFFAOYSA-N 0 0 436.339 5.613 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000064656779 568942154 /nfs/dbraw/zinc/94/21/54/568942154.db2.gz AKUBVSYBOJKFRH-CYBMUJFWSA-N 0 0 435.929 5.156 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(OC(C)C)c2)cc1 ZINC000064656801 568942192 /nfs/dbraw/zinc/94/21/92/568942192.db2.gz YVZDIOQNFKMROX-LJQANCHMSA-N 0 0 441.574 5.151 50 0 IKAARN CC(C)COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656639 568942205 /nfs/dbraw/zinc/94/22/05/568942205.db2.gz BQKTVVFZEGCPHH-IBGZPJMESA-N 0 0 441.574 5.090 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cc(Cl)ccc2F)cc1 ZINC000064656819 568942242 /nfs/dbraw/zinc/94/22/42/568942242.db2.gz PYQMATFMUNQTGP-HNNXBMFYSA-N 0 0 435.929 5.156 50 0 IKAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)cc2Cl)c1 ZINC000064657078 568942322 /nfs/dbraw/zinc/94/23/22/568942322.db2.gz NKMHULPRSDXJAM-OAHLLOKOSA-N 0 0 435.929 5.156 50 0 IKAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCC(Cc2ccccc2)CC1 ZINC000064657625 568942362 /nfs/dbraw/zinc/94/23/62/568942362.db2.gz OWOKENRAGJEMHB-UHFFFAOYSA-N 0 0 449.019 6.505 50 0 IKAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC3)cc1 ZINC000064660405 568942528 /nfs/dbraw/zinc/94/25/28/568942528.db2.gz VWIAQYYYWAWLNW-UHFFFAOYSA-N 0 0 426.607 5.064 50 0 IKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)cc2Cl)CC3)cc1 ZINC000064659882 568942569 /nfs/dbraw/zinc/94/25/69/568942569.db2.gz CVFWIJGMOUJIAI-UHFFFAOYSA-N 0 0 427.957 5.761 50 0 IKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccccc2C(F)(F)F)CC3)cc1 ZINC000064659857 568942571 /nfs/dbraw/zinc/94/25/71/568942571.db2.gz FPCWZFGVOPKCCD-UHFFFAOYSA-N 0 0 433.455 5.428 50 0 IKAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)cc1 ZINC000064667522 568942931 /nfs/dbraw/zinc/94/29/31/568942931.db2.gz IPNXJMFRSXDROA-UHFFFAOYSA-N 0 0 443.450 5.091 50 0 IKAARN CN1c2ccc(NC(=O)c3ccc(Br)cc3)cc2Sc2ccccc2C1=O ZINC000064666635 568942965 /nfs/dbraw/zinc/94/29/65/568942965.db2.gz LXADHHUTCLZUPF-UHFFFAOYSA-N 0 0 439.334 5.443 50 0 IKAARN Cc1c(S(=O)(=O)Nc2ccccc2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668152 568943034 /nfs/dbraw/zinc/94/30/34/568943034.db2.gz JTWOHQKRPUVSQW-UHFFFAOYSA-N 0 0 427.526 5.064 50 0 IKAARN Cc1c(S(=O)(=O)Nc2cccc(C)c2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668150 568943174 /nfs/dbraw/zinc/94/31/74/568943174.db2.gz RIEVPLPZXXEIDY-UHFFFAOYSA-N 0 0 441.553 5.372 50 0 IKAARN C[C@H](Cc1ccco1)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669464 568943328 /nfs/dbraw/zinc/94/33/28/568943328.db2.gz MUAAKSYQHUMMHJ-QGZVFWFLSA-N 0 0 447.510 6.018 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669460 568943335 /nfs/dbraw/zinc/94/33/35/568943335.db2.gz BPSYQQWLXMMBAX-UHFFFAOYSA-N 0 0 445.494 6.325 50 0 IKAARN O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669385 568943336 /nfs/dbraw/zinc/94/33/36/568943336.db2.gz WWWPDUVJHFVGOK-UHFFFAOYSA-N 0 0 433.458 6.456 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCc3ccccc3)o2)cc1 ZINC000064669305 568943340 /nfs/dbraw/zinc/94/33/40/568943340.db2.gz BROJLWZKQKWUIZ-UHFFFAOYSA-N 0 0 439.559 6.554 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCC3)o2)o1 ZINC000064669496 568943453 /nfs/dbraw/zinc/94/34/53/568943453.db2.gz BOEUVVHYDNRCDF-UHFFFAOYSA-N 0 0 429.520 6.065 50 0 IKAARN COc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1Cl ZINC000064669990 568943482 /nfs/dbraw/zinc/94/34/82/568943482.db2.gz MKIWCMRLXCHVPC-UHFFFAOYSA-N 0 0 436.986 5.705 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3ccccc3)o2)cc1 ZINC000064669478 568943511 /nfs/dbraw/zinc/94/35/11/568943511.db2.gz KEXVDISBFGATEQ-UHFFFAOYSA-N 0 0 425.532 6.164 50 0 IKAARN Cc1ccc(-c2csc(-c3nnn(-c4cc(C(F)(F)F)ccc4Cl)c3N)n2)cc1 ZINC000064664475 568943649 /nfs/dbraw/zinc/94/36/49/568943649.db2.gz FNABWWPWEQOPEP-UHFFFAOYSA-N 0 0 435.862 5.621 50 0 IKAARN CCOc1ccc(NC(=O)C[C@H]2COc3cc(F)ccc3N2Cc2ccc(C)cc2)cc1 ZINC000064663975 568943716 /nfs/dbraw/zinc/94/37/16/568943716.db2.gz DIODJMIKEUCQNF-QFIPXVFZSA-N 0 0 434.511 5.329 50 0 IKAARN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)N[C@H]1CCCc2ccccc21 ZINC000064675734 568943735 /nfs/dbraw/zinc/94/37/35/568943735.db2.gz DWKAKEZGEWUWIJ-QFIPXVFZSA-N 0 0 429.951 5.781 50 0 IKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000064675653 568943768 /nfs/dbraw/zinc/94/37/68/568943768.db2.gz YWQPMFSYIMOYHC-UHFFFAOYSA-N 0 0 434.337 5.644 50 0 IKAARN Cc1cccc(NC(=O)Cc2csc3nc(-c4cccc(Br)c4)cn23)c1C ZINC000064676308 568943975 /nfs/dbraw/zinc/94/39/75/568943975.db2.gz QIPPILNUGFKHDG-UHFFFAOYSA-N 0 0 440.366 5.623 50 0 IKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cc(Cl)c(OC)cc1OC ZINC000064690435 568944108 /nfs/dbraw/zinc/94/41/08/568944108.db2.gz WOJUZMKUDRHGOW-UHFFFAOYSA-N 0 0 429.904 5.228 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000064687987 568944128 /nfs/dbraw/zinc/94/41/28/568944128.db2.gz TXZNQIQVBJELED-UHFFFAOYSA-N 0 0 433.939 5.102 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000064687793 568944140 /nfs/dbraw/zinc/94/41/40/568944140.db2.gz DGBZVNRDZYUWLL-UHFFFAOYSA-N 0 0 443.547 5.478 50 0 IKAARN Cc1cccc(CSc2nc3c4cccnc4sc3c(=O)n2CCc2ccccc2)c1 ZINC000064700051 568944260 /nfs/dbraw/zinc/94/42/60/568944260.db2.gz MMURVCZWINJFNV-UHFFFAOYSA-N 0 0 443.597 5.850 50 0 IKAARN O=c1c2sc3ncccc3c2nc(SCc2cccc(F)c2)n1CCc1ccccc1 ZINC000064700059 568944339 /nfs/dbraw/zinc/94/43/39/568944339.db2.gz JMNBJEVVJZIZEM-UHFFFAOYSA-N 0 0 447.560 5.680 50 0 IKAARN O=c1c2sc3ncccc3c2nc(SCc2ccccc2F)n1CCc1ccccc1 ZINC000064700046 568944348 /nfs/dbraw/zinc/94/43/48/568944348.db2.gz LZVJOEFYQSTBQE-UHFFFAOYSA-N 0 0 447.560 5.680 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2F)n1 ZINC000036065364 568945009 /nfs/dbraw/zinc/94/50/09/568945009.db2.gz GLDGCAVCYGENTF-UHFFFAOYSA-N 0 0 449.448 5.173 50 0 IKAARN CC(C)[C@H](C)N(Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1ccc(Cl)cc1 ZINC000036069064 568945524 /nfs/dbraw/zinc/94/55/24/568945524.db2.gz JFMTYOVMAGHEHH-KRWDZBQOSA-N 0 0 443.950 5.444 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1cccc(F)c1 ZINC000036073494 568945813 /nfs/dbraw/zinc/94/58/13/568945813.db2.gz URTWXAPQJANZAR-FQEVSTJZSA-N 0 0 443.522 5.507 50 0 IKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@@H](C)c2ccccc2)n1 ZINC000036073456 568945817 /nfs/dbraw/zinc/94/58/17/568945817.db2.gz CWTKERSXQYGZCC-SJORKVTESA-N 0 0 427.495 5.245 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073416 568945862 /nfs/dbraw/zinc/94/58/62/568945862.db2.gz RCPLAKGUQYQKOA-NRFANRHFSA-N 0 0 443.547 5.578 50 0 IKAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@@H](C)c2ccccc2)n1 ZINC000036073448 568945894 /nfs/dbraw/zinc/94/58/94/568945894.db2.gz KZVUOUWRXYFRMX-KRWDZBQOSA-N 0 0 427.495 5.102 50 0 IKAARN C[C@@H](NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2)n1)c1ccccc1 ZINC000036072308 568946060 /nfs/dbraw/zinc/94/60/60/568946060.db2.gz NHKSMURQWRNLLX-HXUWFJFHSA-N 0 0 443.522 5.507 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072231 568946062 /nfs/dbraw/zinc/94/60/62/568946062.db2.gz GIWBUBXFSIFZGC-UHFFFAOYSA-N 0 0 431.458 5.034 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCc3ccccc3)co2)Cc2ccccc2)c1 ZINC000036073730 568946298 /nfs/dbraw/zinc/94/62/98/568946298.db2.gz QLZMTQCHQIORFE-UHFFFAOYSA-N 0 0 439.559 5.424 50 0 IKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccc(F)cc2)c(C)c1 ZINC000036072525 568946375 /nfs/dbraw/zinc/94/63/75/568946375.db2.gz LVQYWYGWCDOARD-UHFFFAOYSA-N 0 0 447.510 5.156 50 0 IKAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)n1 ZINC000036072557 568946378 /nfs/dbraw/zinc/94/63/78/568946378.db2.gz OWDKSRBGXXUWGQ-UHFFFAOYSA-N 0 0 449.448 5.127 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)n1 ZINC000036072543 568946397 /nfs/dbraw/zinc/94/63/97/568946397.db2.gz FKIFHHIOIQNLPI-UHFFFAOYSA-N 0 0 449.448 5.173 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccccc2N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O ZINC000036076934 568946540 /nfs/dbraw/zinc/94/65/40/568946540.db2.gz PFZFIOBKSKHQJJ-XHVQSTDPSA-N 0 0 434.605 5.416 50 0 IKAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2cccnc2)co1)[C@H](C)c1ccccc1 ZINC000036073529 568946622 /nfs/dbraw/zinc/94/66/22/568946622.db2.gz AFVHDCUPPNEZFN-OAQYLSRUSA-N 0 0 440.547 5.071 50 0 IKAARN Cc1cccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)Cc2ccccc2)c1 ZINC000036082897 568946797 /nfs/dbraw/zinc/94/67/97/568946797.db2.gz ZEOIFNJNSBZGKF-UHFFFAOYSA-N 0 0 443.522 5.255 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NC2CC2)co1)Cc1ccccc1C(F)(F)F ZINC000036082671 568946826 /nfs/dbraw/zinc/94/68/26/568946826.db2.gz PJQXTKLPHPHECH-INIZCTEOSA-N 0 0 443.469 5.349 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NC2CC2)co1)Cc1ccccc1C(F)(F)F ZINC000036082672 568946833 /nfs/dbraw/zinc/94/68/33/568946833.db2.gz PJQXTKLPHPHECH-MRXNPFEDSA-N 0 0 443.469 5.349 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)c2ccccc2)n1 ZINC000036083091 568947026 /nfs/dbraw/zinc/94/70/26/568947026.db2.gz JDDJLMSBGCXLIZ-INIZCTEOSA-N 0 0 446.378 5.883 50 0 IKAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036083863 568947530 /nfs/dbraw/zinc/94/75/30/568947530.db2.gz RSHRNJJPOUUJRA-XMMPIXPASA-N 0 0 436.552 5.019 50 0 IKAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2ccc(C(F)(F)F)cc2)n1 ZINC000064748034 568950570 /nfs/dbraw/zinc/95/05/70/568950570.db2.gz UDOVJDQHODNGQM-UHFFFAOYSA-N 0 0 429.442 5.087 50 0 IKAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)CC(C)(C)C ZINC000036094471 568951164 /nfs/dbraw/zinc/95/11/64/568951164.db2.gz HEJJSKMMEBWUPY-HNNXBMFYSA-N 0 0 439.021 5.431 50 0 IKAARN O=C(Oc1cc(OC(=O)c2ccccc2)cc(OC(=O)c2ccccc2)c1)c1ccccc1 ZINC000001598716 568951221 /nfs/dbraw/zinc/95/12/21/568951221.db2.gz JBAFJMXGERTTCC-UHFFFAOYSA-N 0 0 438.435 5.344 50 0 IKAARN COc1c2cc(NC(=O)c3cc(C)ccc3C)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755675 568951225 /nfs/dbraw/zinc/95/12/25/568951225.db2.gz CEPHGFWWYXGZHY-UHFFFAOYSA-N 0 0 428.488 5.871 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3nc4cccnc4n3C3CCCCC3)cc2)cc1F ZINC000064756204 568951399 /nfs/dbraw/zinc/95/13/99/568951399.db2.gz MFTBKFHMVLSDPR-UHFFFAOYSA-N 0 0 428.511 6.303 50 0 IKAARN O=C(NCc1cccc(F)c1)c1ccc(-c2nc3cccnc3n2C2CCCCC2)cc1 ZINC000064756197 568951400 /nfs/dbraw/zinc/95/14/00/568951400.db2.gz VFUBSEYAHMTKJJ-UHFFFAOYSA-N 0 0 428.511 5.673 50 0 IKAARN O=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000064758111 568952219 /nfs/dbraw/zinc/95/22/19/568952219.db2.gz UNJJKIBDJMGVEN-UHFFFAOYSA-N 0 0 440.469 5.083 50 0 IKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000064757983 568952321 /nfs/dbraw/zinc/95/23/21/568952321.db2.gz FLZWRRAHUIRGRM-LBPRGKRZSA-N 0 0 434.487 5.507 50 0 IKAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C(=O)CC(C)(C)C)C2)cc1 ZINC000006695190 568952398 /nfs/dbraw/zinc/95/23/98/568952398.db2.gz SQQCVBDOUSZPML-HXUWFJFHSA-N 0 0 428.960 5.307 50 0 IKAARN CCCN(C)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000006695505 568952439 /nfs/dbraw/zinc/95/24/39/568952439.db2.gz AZVQWOTZQZCJBU-UHFFFAOYSA-N 0 0 428.646 5.298 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000006695555 568952536 /nfs/dbraw/zinc/95/25/36/568952536.db2.gz GVRUSVDKBOQESV-UHFFFAOYSA-N 0 0 427.976 5.197 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(Cc1ccco1)C(=O)CC(C)(C)C ZINC000006696487 568952653 /nfs/dbraw/zinc/95/26/53/568952653.db2.gz BEVNBVAMYKHWQN-UHFFFAOYSA-N 0 0 425.573 5.049 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006696035 568952742 /nfs/dbraw/zinc/95/27/42/568952742.db2.gz HTXCDPBJFIJCSL-UHFFFAOYSA-N 0 0 425.548 5.073 50 0 IKAARN CC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105428 568952876 /nfs/dbraw/zinc/95/28/76/568952876.db2.gz NAIUDTLRYPPZKY-UHFFFAOYSA-N 0 0 449.403 6.327 50 0 IKAARN CC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Cc1ccccc1 ZINC000036105430 568952937 /nfs/dbraw/zinc/95/29/37/568952937.db2.gz RLUIBDSHRGDXOT-UHFFFAOYSA-N 0 0 428.985 5.603 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1csc(COc2ccc(Cl)cc2)n1)CC(C)C ZINC000036105435 568953007 /nfs/dbraw/zinc/95/30/07/568953007.db2.gz JLEMKGWRZUTVGP-UHFFFAOYSA-N 0 0 428.985 5.982 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1F ZINC000036105011 568953112 /nfs/dbraw/zinc/95/31/12/568953112.db2.gz RCMBHGSNPGMISA-SFHVURJKSA-N 0 0 440.584 6.426 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)Cc1ccccc1 ZINC000036105020 568953173 /nfs/dbraw/zinc/95/31/73/568953173.db2.gz UFINWNKSHCVLHY-FQEVSTJZSA-N 0 0 436.621 6.215 50 0 IKAARN Cc1cc(C)cc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)c1 ZINC000036105213 568953353 /nfs/dbraw/zinc/95/33/53/568953353.db2.gz MPYRBBDVUMRRLV-UHFFFAOYSA-N 0 0 443.012 6.291 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1C ZINC000036105548 568953361 /nfs/dbraw/zinc/95/33/61/568953361.db2.gz DWLUXAVDBXGMSV-QGZVFWFLSA-N 0 0 428.985 6.125 50 0 IKAARN Cc1cc(C)cc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(F)cc3)cs2)c1 ZINC000036105192 568953390 /nfs/dbraw/zinc/95/33/90/568953390.db2.gz BWEWWASXPFXNTQ-UHFFFAOYSA-N 0 0 426.557 5.776 50 0 IKAARN CCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1F ZINC000036105118 568953414 /nfs/dbraw/zinc/95/34/14/568953414.db2.gz JXSCSVIVIGEQJW-UHFFFAOYSA-N 0 0 426.557 6.037 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105535 568953438 /nfs/dbraw/zinc/95/34/38/568953438.db2.gz WADKPENFKOEBLD-OAHLLOKOSA-N 0 0 449.403 6.470 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccccc1F ZINC000036105774 568953493 /nfs/dbraw/zinc/95/34/93/568953493.db2.gz NQZQNSNQPQXZAW-INIZCTEOSA-N 0 0 428.529 5.311 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(OC)cc1 ZINC000036105752 568953560 /nfs/dbraw/zinc/95/35/60/568953560.db2.gz PFNAOCHYSSVFNC-KRWDZBQOSA-N 0 0 440.565 5.180 50 0 IKAARN CCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105629 568953573 /nfs/dbraw/zinc/95/35/73/568953573.db2.gz PXMRUFXPUQIWIK-UHFFFAOYSA-N 0 0 435.376 6.081 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106473 568953666 /nfs/dbraw/zinc/95/36/66/568953666.db2.gz AMCCOKVVCLYSJN-KRWDZBQOSA-N 0 0 428.985 6.125 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1F ZINC000036106728 568953684 /nfs/dbraw/zinc/95/36/84/568953684.db2.gz IXLLKKSVEMNYCF-OAHLLOKOSA-N 0 0 432.948 5.956 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3cccc(Cl)c3)n2)C(C)C)cc1 ZINC000036106665 568953788 /nfs/dbraw/zinc/95/37/88/568953788.db2.gz DOCNCJNKYMVKFI-UHFFFAOYSA-N 0 0 430.957 5.435 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106736 568953839 /nfs/dbraw/zinc/95/38/39/568953839.db2.gz SZTILBWQRIAFBY-OAHLLOKOSA-N 0 0 449.403 6.470 50 0 IKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)cs2)cc1C ZINC000036106927 568953841 /nfs/dbraw/zinc/95/38/41/568953841.db2.gz GUHVWJQHJLDCHG-UHFFFAOYSA-N 0 0 428.985 6.043 50 0 IKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)cc1C ZINC000036106878 568953989 /nfs/dbraw/zinc/95/39/89/568953989.db2.gz DNGRFHYCBWKZLI-UHFFFAOYSA-N 0 0 443.012 6.291 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(Cl)c3)C2)cc1 ZINC000064775095 568954363 /nfs/dbraw/zinc/95/43/63/568954363.db2.gz UBFFMWCZKOHREL-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2cccc(Cl)c2)C1 ZINC000064775111 568954364 /nfs/dbraw/zinc/95/43/64/568954364.db2.gz ZGZFSRHHOBMSNR-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccc(Cl)c2)C1)Nc1ccc(F)cc1 ZINC000064775096 568954371 /nfs/dbraw/zinc/95/43/71/568954371.db2.gz DYXVAQBODVBLND-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(Cl)c3)C2)cc1 ZINC000064775094 568954380 /nfs/dbraw/zinc/95/43/80/568954380.db2.gz MHVAYHMFRSJGSV-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000064775116 568954387 /nfs/dbraw/zinc/95/43/87/568954387.db2.gz XJJKJKVDRYILFN-UHFFFAOYSA-N 0 0 447.535 5.438 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccs2)C1)Nc1ccc2c(c1)CCC2 ZINC000064775400 568954544 /nfs/dbraw/zinc/95/45/44/568954544.db2.gz DMEKLAMEEUCPSU-UHFFFAOYSA-N 0 0 431.586 6.163 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c1 ZINC000064775438 568954555 /nfs/dbraw/zinc/95/45/55/568954555.db2.gz JAWFILKDAWFZFI-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN CSc1ccc(CNc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000064775652 568954709 /nfs/dbraw/zinc/95/47/09/568954709.db2.gz FIAKUGUHFHVVOE-UHFFFAOYSA-N 0 0 439.544 5.989 50 0 IKAARN Cc1ccc(NC(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)CC(C)C)cc1 ZINC000036115175 568955064 /nfs/dbraw/zinc/95/50/64/568955064.db2.gz YKIZIPMFGGKAMJ-UHFFFAOYSA-N 0 0 437.609 6.337 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115198 568955097 /nfs/dbraw/zinc/95/50/97/568955097.db2.gz PHMCFZYKPAXZSP-LJQANCHMSA-N 0 0 437.609 6.480 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115326 568955261 /nfs/dbraw/zinc/95/52/61/568955261.db2.gz GHFOJLFXOHOXCM-IBGZPJMESA-N 0 0 444.622 5.328 50 0 IKAARN COc1cccc(OC)c1OCc1nc(CN(CC(C)C)C(=O)c2cccs2)cs1 ZINC000036114899 568955273 /nfs/dbraw/zinc/95/52/73/568955273.db2.gz HBPVJZGLSVFCJB-UHFFFAOYSA-N 0 0 446.594 5.099 50 0 IKAARN O=C(Cc1ccccc1)N(Cc1csc(COc2cccc3ccccc32)n1)C1CC1 ZINC000036115068 568955427 /nfs/dbraw/zinc/95/54/27/568955427.db2.gz DMVXKNTVRNNESD-UHFFFAOYSA-N 0 0 428.557 5.609 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3cccc4ccccc43)n2)C2CC2)cc1 ZINC000036115059 568955451 /nfs/dbraw/zinc/95/54/51/568955451.db2.gz VHVJJQMSIICTKX-UHFFFAOYSA-N 0 0 444.556 5.689 50 0 IKAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1cccs1 ZINC000036115037 568955455 /nfs/dbraw/zinc/95/54/55/568955455.db2.gz CMPQUWVCQMOAGN-UHFFFAOYSA-N 0 0 438.574 5.226 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115107 568955459 /nfs/dbraw/zinc/95/54/59/568955459.db2.gz SFUXVFICNMMNGP-QGZVFWFLSA-N 0 0 444.000 6.517 50 0 IKAARN CCCCc1ccc(NC(=O)c2cnc3scc(-c4cccc(OC)c4)n3c2=O)cc1 ZINC000064787961 568956439 /nfs/dbraw/zinc/95/64/39/568956439.db2.gz GBYPQELUEXOMFI-UHFFFAOYSA-N 0 0 433.533 5.027 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064788027 568956477 /nfs/dbraw/zinc/95/64/77/568956477.db2.gz MFYYFLYXIILCNI-UHFFFAOYSA-N 0 0 437.952 5.454 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000006704535 568956797 /nfs/dbraw/zinc/95/67/97/568956797.db2.gz APSSZSIDDMCLAM-BXKMTCNYSA-N 0 0 428.573 6.068 50 0 IKAARN CCCCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1cc(C)ccc1OC ZINC000006706032 568958051 /nfs/dbraw/zinc/95/80/51/568958051.db2.gz UOCVZZUSYXCXKU-DEOSSOPVSA-N 0 0 426.582 5.691 50 0 IKAARN O=C(Cc1ccccc1)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000036124466 568958683 /nfs/dbraw/zinc/95/86/83/568958683.db2.gz LIDHUWTUSQIOBW-UHFFFAOYSA-N 0 0 447.387 5.763 50 0 IKAARN O=C(c1cccs1)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000036124437 568958691 /nfs/dbraw/zinc/95/86/91/568958691.db2.gz NYPSXLWPFVWMPD-UHFFFAOYSA-N 0 0 439.389 5.895 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000006708346 568958811 /nfs/dbraw/zinc/95/88/11/568958811.db2.gz FSKUUUCFABCITH-HYBUGGRVSA-N 0 0 437.628 5.668 50 0 IKAARN Cc1cccc(C(=O)N(Cc2csc(COc3cc(Cl)ccc3Cl)n2)C2CC2)c1 ZINC000036124473 568958855 /nfs/dbraw/zinc/95/88/55/568958855.db2.gz SRMHBLODQZRADB-UHFFFAOYSA-N 0 0 447.387 6.142 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006708953 568958892 /nfs/dbraw/zinc/95/88/92/568958892.db2.gz RQVOKHIEYOPDLB-HXUWFJFHSA-N 0 0 437.628 5.873 50 0 IKAARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064798108 568960468 /nfs/dbraw/zinc/96/04/68/568960468.db2.gz FRFMXVWKQIWQSL-OAHLLOKOSA-N 0 0 437.464 5.074 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc3ccccc32)cc1 ZINC000064798590 568960523 /nfs/dbraw/zinc/96/05/23/568960523.db2.gz BHAXRJPQHRIYTJ-FQEVSTJZSA-N 0 0 433.554 5.517 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc3ccccc32)cc1 ZINC000064798587 568960529 /nfs/dbraw/zinc/96/05/29/568960529.db2.gz BHAXRJPQHRIYTJ-HXUWFJFHSA-N 0 0 433.554 5.517 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000064798647 568960609 /nfs/dbraw/zinc/96/06/09/568960609.db2.gz DOLVMCHQSISISK-LJQANCHMSA-N 0 0 425.575 5.487 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nc(NC2CCCCC2)n1 ZINC000064801384 568960915 /nfs/dbraw/zinc/96/09/15/568960915.db2.gz PNRHVHDFYCPDHW-UHFFFAOYSA-N 0 0 444.583 6.534 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 ZINC000064801203 568960939 /nfs/dbraw/zinc/96/09/39/568960939.db2.gz VZZOSIPSPRSSKK-UHFFFAOYSA-N 0 0 431.540 5.534 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1 ZINC000064801297 568960956 /nfs/dbraw/zinc/96/09/56/568960956.db2.gz JLVQJXJSNLUWSC-UHFFFAOYSA-N 0 0 430.556 5.725 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)c1 ZINC000064801145 568960994 /nfs/dbraw/zinc/96/09/94/568960994.db2.gz LJJUYXNGVJUUKJ-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(NC2CCCCC2)n1 ZINC000064801674 568961519 /nfs/dbraw/zinc/96/15/19/568961519.db2.gz OLPDSCSUTMILRJ-UHFFFAOYSA-N 0 0 448.546 6.365 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(N2CCCCC2)n1 ZINC000064801488 568961530 /nfs/dbraw/zinc/96/15/30/568961530.db2.gz PSYLABDTUYSBAJ-UHFFFAOYSA-N 0 0 436.947 5.816 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc(N2CCCCC2)n1 ZINC000064801495 568961590 /nfs/dbraw/zinc/96/15/90/568961590.db2.gz PBBQAZLOQGZUJT-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064801506 568961596 /nfs/dbraw/zinc/96/15/96/568961596.db2.gz DPRCDRMQYYXBST-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C3CCCC3)cc2)c(C(C)C)nn1-c1cccc(C)c1 ZINC000036145317 568961689 /nfs/dbraw/zinc/96/16/89/568961689.db2.gz JCQUXIVGJDLRFT-UHFFFAOYSA-N 0 0 445.563 6.025 50 0 IKAARN CCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)C2CCCC2)cc1 ZINC000036145409 568961706 /nfs/dbraw/zinc/96/17/06/568961706.db2.gz GOVSKCLPBVZQIV-UHFFFAOYSA-N 0 0 431.536 5.464 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)c3ccco3)cc2)c(C(C)C)nn1-c1ccccc1 ZINC000036145281 568961814 /nfs/dbraw/zinc/96/18/14/568961814.db2.gz SNEZYHOXHOYUCK-UHFFFAOYSA-N 0 0 429.476 5.433 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C3CCCC3)cc2)c(C(C)C)nn1-c1ccccc1 ZINC000036145290 568961828 /nfs/dbraw/zinc/96/18/28/568961828.db2.gz LHACQQYZMWUXQJ-UHFFFAOYSA-N 0 0 431.536 5.717 50 0 IKAARN CC(=O)Nc1ccc(-c2c(-c3cccc(C)c3)nn(-c3ccc(F)cc3)c2OC(C)=O)cc1 ZINC000036145362 568961841 /nfs/dbraw/zinc/96/18/41/568961841.db2.gz LIJFAYUZJBCVAS-UHFFFAOYSA-N 0 0 443.478 5.538 50 0 IKAARN COc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)CC(C)C)cc1 ZINC000036149257 568962696 /nfs/dbraw/zinc/96/26/96/568962696.db2.gz ASGDFWLXWXLGMO-UHFFFAOYSA-N 0 0 433.552 5.249 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722287 568962947 /nfs/dbraw/zinc/96/29/47/568962947.db2.gz DPMVIGXRPYUIBG-QGZVFWFLSA-N 0 0 427.614 5.240 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006722076 568963037 /nfs/dbraw/zinc/96/30/37/568963037.db2.gz UTYCCHQKFZQGFH-KRWDZBQOSA-N 0 0 427.564 5.317 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000006722416 568963126 /nfs/dbraw/zinc/96/31/26/568963126.db2.gz JVBQSXGOWFCVMN-DEOSSOPVSA-N 0 0 433.596 5.034 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000006722874 568963153 /nfs/dbraw/zinc/96/31/53/568963153.db2.gz AYYAOUWDJVZMGP-MRXNPFEDSA-N 0 0 427.976 5.195 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722650 568963172 /nfs/dbraw/zinc/96/31/72/568963172.db2.gz FCMVUTZFUHGCDB-LJQANCHMSA-N 0 0 435.612 5.627 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(F)c1)C(=O)N2Cc1ccccc1 ZINC000036151673 568963260 /nfs/dbraw/zinc/96/32/60/568963260.db2.gz BNLJYELNWYWUQW-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000006723063 568963269 /nfs/dbraw/zinc/96/32/69/568963269.db2.gz LFNSBGUTDHHRDX-XMMPIXPASA-N 0 0 437.628 5.526 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723086 568963319 /nfs/dbraw/zinc/96/33/19/568963319.db2.gz KASBESJJEFLDTC-IBGZPJMESA-N 0 0 431.665 5.937 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722996 568963328 /nfs/dbraw/zinc/96/33/28/568963328.db2.gz RQKPSIKYDNNOMU-QGZVFWFLSA-N 0 0 427.614 5.384 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723087 568963370 /nfs/dbraw/zinc/96/33/70/568963370.db2.gz IRXUPUQASQSWJJ-LJQANCHMSA-N 0 0 429.649 5.691 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)c2ccc(Cl)cc2)C1=O ZINC000036152631 568963683 /nfs/dbraw/zinc/96/36/83/568963683.db2.gz JNSONGFVJSJJLQ-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN CC1(C)CN(C(=O)c2cccs2)[C@@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152941 568963798 /nfs/dbraw/zinc/96/37/98/568963798.db2.gz WMNXGLJMHFYJAE-XMMPIXPASA-N 0 0 434.586 5.116 50 0 IKAARN CC(C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006723209 568963843 /nfs/dbraw/zinc/96/38/43/568963843.db2.gz CJFVGHFBFHWTPI-UHFFFAOYSA-N 0 0 425.548 5.071 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2cccc(C(F)(F)F)c2)c1-c1cccs1 ZINC000064816672 568964118 /nfs/dbraw/zinc/96/41/18/568964118.db2.gz OTGPOZYUTUTDBX-UHFFFAOYSA-N 0 0 443.494 6.730 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)Nc2cccc(F)c2)C1=O ZINC000036151492 568964122 /nfs/dbraw/zinc/96/41/22/568964122.db2.gz DPNYRUSBXMPVAO-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)Nc2ccccc2F)C1=O ZINC000036151489 568964141 /nfs/dbraw/zinc/96/41/41/568964141.db2.gz KAWKTKKOAAYYOP-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817212 568964309 /nfs/dbraw/zinc/96/43/09/568964309.db2.gz UAJSPGNLDNKIQZ-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000006724711 568964358 /nfs/dbraw/zinc/96/43/58/568964358.db2.gz ZFFYORGCAJCAHC-DEOSSOPVSA-N 0 0 425.598 5.440 50 0 IKAARN CC(C)N(Cc1ccco1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036154586 568964693 /nfs/dbraw/zinc/96/46/93/568964693.db2.gz HKSFQCCLQCRGKU-UHFFFAOYSA-N 0 0 437.486 5.846 50 0 IKAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c1C ZINC000064819067 568965817 /nfs/dbraw/zinc/96/58/17/568965817.db2.gz KIEFUZLRJYMDGR-INIZCTEOSA-N 0 0 428.458 5.121 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819083 568965837 /nfs/dbraw/zinc/96/58/37/568965837.db2.gz YAXCAXORTLAVNE-AWEZNQCLSA-N 0 0 448.876 5.466 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819074 568965850 /nfs/dbraw/zinc/96/58/50/568965850.db2.gz PIZVRBUBISLVEY-MRXNPFEDSA-N 0 0 428.458 5.066 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819075 568965864 /nfs/dbraw/zinc/96/58/64/568965864.db2.gz PIZVRBUBISLVEY-INIZCTEOSA-N 0 0 428.458 5.066 50 0 IKAARN CCC(=O)N1CC(C)(C)S[C@@]12c1cc(Cl)ccc1N(Cc1ccccc1C)C2=O ZINC000036155676 568966364 /nfs/dbraw/zinc/96/63/64/568966364.db2.gz GTJIUMOIHUUTMV-HSZRJFAPSA-N 0 0 428.985 5.112 50 0 IKAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@]2(SC(C)(C)CN2C(=O)C2CC2)C1=O ZINC000036155691 568966416 /nfs/dbraw/zinc/96/64/16/568966416.db2.gz XOWCRRHVLDXCAF-DEOSSOPVSA-N 0 0 440.996 5.112 50 0 IKAARN O=C(c1cnc2ccccc2c1Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1 ZINC000064819972 568966832 /nfs/dbraw/zinc/96/68/32/568966832.db2.gz OVNSVCWYCGMZBX-UHFFFAOYSA-N 0 0 435.833 5.123 50 0 IKAARN Cc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCC(C)CC2)CC(C)C)cc1 ZINC000036161087 568967317 /nfs/dbraw/zinc/96/73/17/568967317.db2.gz MTKSVDXHYWEWJU-UHFFFAOYSA-N 0 0 445.607 6.185 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccs1 ZINC000036161156 568967323 /nfs/dbraw/zinc/96/73/23/568967323.db2.gz KKPKZDOVFPLELY-IBGZPJMESA-N 0 0 437.609 6.080 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000036161634 568967567 /nfs/dbraw/zinc/96/75/67/568967567.db2.gz WALOXTLAPCJMDP-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1cccc(CN2c3ccc(F)cc3[C@@]3(SCCN3C(=O)Nc3ccccc3)C2=O)c1 ZINC000036162444 568967787 /nfs/dbraw/zinc/96/77/87/568967787.db2.gz GSQGUYNCDDKWQP-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036161795 568967814 /nfs/dbraw/zinc/96/78/14/568967814.db2.gz TXRRIMBJIBOKTK-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000036161869 568967874 /nfs/dbraw/zinc/96/78/74/568967874.db2.gz RHZHLRPFYQYITH-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)Nc3cccc(F)c3)C2=O)c1 ZINC000036161808 568967886 /nfs/dbraw/zinc/96/78/86/568967886.db2.gz SRRSCXSBUGQBFM-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3cccc(Cl)c3)C2=O)cc1 ZINC000036164424 568968075 /nfs/dbraw/zinc/96/80/75/568968075.db2.gz CNFFBHJISWMKJG-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@]23c2cc(C)ccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036164882 568968162 /nfs/dbraw/zinc/96/81/62/568968162.db2.gz JLOKWOARUTWJSF-MHZLTWQESA-N 0 0 442.584 5.201 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@]3(SCCN3C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000036164759 568968169 /nfs/dbraw/zinc/96/81/69/568968169.db2.gz KDNAPLMBOHJJEI-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3[C@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000036165246 568968195 /nfs/dbraw/zinc/96/81/95/568968195.db2.gz ZVBYQBCDUAOZPM-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@@]23c2cc(F)ccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036165294 568968208 /nfs/dbraw/zinc/96/82/08/568968208.db2.gz HXKMVOOJDKGZIP-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@@]23c2cc(C)ccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036164879 568968231 /nfs/dbraw/zinc/96/82/31/568968231.db2.gz JLOKWOARUTWJSF-HHHXNRCGSA-N 0 0 442.584 5.201 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)C3CCCC3)C2=O)cc1 ZINC000036165647 568968388 /nfs/dbraw/zinc/96/83/88/568968388.db2.gz SCNPOCMJTCFNAK-XMMPIXPASA-N 0 0 440.996 5.114 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000006735402 568968738 /nfs/dbraw/zinc/96/87/38/568968738.db2.gz AHSOOSWFXHIYQR-MZNJEOGPSA-N 0 0 428.573 6.068 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C\c3cccs3)C[C@H](C)C[C@@H]2[C@@H]1c1cccs1 ZINC000169620062 568969564 /nfs/dbraw/zinc/96/95/64/568969564.db2.gz VEDPLASXZAZMKR-ZPUCILASSA-N 0 0 439.631 6.257 50 0 IKAARN CCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(OCC)cc2)c1 ZINC000006740241 568970212 /nfs/dbraw/zinc/97/02/12/568970212.db2.gz PBGYDUIZPLZSNA-DEOSSOPVSA-N 0 0 426.582 5.773 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000064847795 568971114 /nfs/dbraw/zinc/97/11/14/568971114.db2.gz JYHZQXRFYZOCPI-INIZCTEOSA-N 0 0 429.948 5.257 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847810 568971129 /nfs/dbraw/zinc/97/11/29/568971129.db2.gz CBVJNODOFIJHBJ-OAHLLOKOSA-N 0 0 427.932 5.061 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1F ZINC000064847871 568971178 /nfs/dbraw/zinc/97/11/78/568971178.db2.gz PXCKKFHGGYLSOX-CQSZACIVSA-N 0 0 433.911 5.006 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847816 568971195 /nfs/dbraw/zinc/97/11/95/568971195.db2.gz POGTYMGVNCBGBD-INIZCTEOSA-N 0 0 429.948 5.176 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847808 568971209 /nfs/dbraw/zinc/97/12/09/568971209.db2.gz CBVJNODOFIJHBJ-HNNXBMFYSA-N 0 0 427.932 5.061 50 0 IKAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847910 568971331 /nfs/dbraw/zinc/97/13/31/568971331.db2.gz HUZZKXGASGEJSR-AWEZNQCLSA-N 0 0 437.437 5.363 50 0 IKAARN C[C@@H](C(=O)Nc1ccccc1Br)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064848000 568971375 /nfs/dbraw/zinc/97/13/75/568971375.db2.gz OVZSDGKKSINQKU-CQSZACIVSA-N 0 0 448.336 5.107 50 0 IKAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(Br)cc2F)on1 ZINC000064845440 568971936 /nfs/dbraw/zinc/97/19/36/568971936.db2.gz WTWQNHPMEULSDE-UHFFFAOYSA-N 0 0 445.335 5.031 50 0 IKAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C)cc2Br)on1 ZINC000064845478 568972020 /nfs/dbraw/zinc/97/20/20/568972020.db2.gz MRNAUGSKNZEQHY-UHFFFAOYSA-N 0 0 441.372 5.200 50 0 IKAARN CCN(CC)c1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c(C)c1 ZINC000064845606 568972077 /nfs/dbraw/zinc/97/20/77/568972077.db2.gz DSYSAZNPAKKHFN-UHFFFAOYSA-N 0 0 433.599 5.284 50 0 IKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)COc3ccc(Cl)cc3)CC1)N2 ZINC000064858619 568972142 /nfs/dbraw/zinc/97/21/42/568972142.db2.gz BOHSWHVFMPFNBL-UHFFFAOYSA-N 0 0 435.955 5.070 50 0 biogenic IKAARN CCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1F ZINC000036202247 568972418 /nfs/dbraw/zinc/97/24/18/568972418.db2.gz IFBMXMPBDQZKNX-UHFFFAOYSA-N 0 0 429.535 6.115 50 0 IKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)CSCc3ccc(F)cc3)CC1)N2 ZINC000064858658 568972444 /nfs/dbraw/zinc/97/24/44/568972444.db2.gz GRVZBPGHMHFFGN-UHFFFAOYSA-N 0 0 449.595 5.410 50 0 biogenic IKAARN CCCC(O)(CCC)c1ccc(CN(Cc2ccco2)Cc2cccc(OC)c2OC)o1 ZINC000036202309 568972506 /nfs/dbraw/zinc/97/25/06/568972506.db2.gz XDXUXNOKWNQDOX-UHFFFAOYSA-N 0 0 441.568 5.880 50 0 IKAARN OC(c1ccc(CN(Cc2ccsc2)C2CC2)o1)(c1cccs1)c1cccs1 ZINC000036202890 568972514 /nfs/dbraw/zinc/97/25/14/568972514.db2.gz KPIMTUGUUOUXQK-UHFFFAOYSA-N 0 0 427.616 5.913 50 0 IKAARN OC(c1ccc(CN(Cc2ccccc2F)C2CC2)o1)(c1cccs1)c1cccs1 ZINC000036202220 568972538 /nfs/dbraw/zinc/97/25/38/568972538.db2.gz OEBUEUGXLWIEQJ-UHFFFAOYSA-N 0 0 439.577 5.991 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000036208254 568973369 /nfs/dbraw/zinc/97/33/69/568973369.db2.gz CQQSLGRFYDXDAB-UHFFFAOYSA-N 0 0 438.959 6.038 50 0 IKAARN COCCCN(Cc1c(-c2cccc(C)c2)noc1N1CCCC1)C(=O)c1ccc(C)cc1 ZINC000036208239 568973444 /nfs/dbraw/zinc/97/34/44/568973444.db2.gz INXPPFVDDICTHN-UHFFFAOYSA-N 0 0 447.579 5.238 50 0 IKAARN Cc1cccc(C)c1OCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006752585 568973824 /nfs/dbraw/zinc/97/38/24/568973824.db2.gz MDGGGAAGEFMNMW-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 IKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3NC2=O)cc1 ZINC000036209941 568974237 /nfs/dbraw/zinc/97/42/37/568974237.db2.gz JUYIIBFFVRASBR-KUODWWIXSA-N 0 0 436.577 5.335 50 0 IKAARN COC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869630 568976309 /nfs/dbraw/zinc/97/63/09/568976309.db2.gz ZIHFZGHISXREMC-ZDUSSCGKSA-N 0 0 429.929 5.003 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(Cl)cc2)=Nc2ccccc2N1 ZINC000064869717 568976343 /nfs/dbraw/zinc/97/63/43/568976343.db2.gz YEGGSYPDFRRGAD-UHFFFAOYSA-N 0 0 429.929 5.005 50 0 IKAARN CCOC(=O)CC1=CC(S[C@H](CC)C(=O)Nc2ccc(C)cc2)=Nc2ccccc2N1 ZINC000064869825 568976521 /nfs/dbraw/zinc/97/65/21/568976521.db2.gz LCHVRXWPDYKZNO-OAQYLSRUSA-N 0 0 437.565 5.438 50 0 IKAARN CCOC(=O)CC1=CC(S[C@@H](CC)C(=O)Nc2ccc(C)cc2)=Nc2ccccc2N1 ZINC000064869823 568976536 /nfs/dbraw/zinc/97/65/36/568976536.db2.gz LCHVRXWPDYKZNO-NRFANRHFSA-N 0 0 437.565 5.438 50 0 IKAARN CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC000064871976 568977940 /nfs/dbraw/zinc/97/79/40/568977940.db2.gz IVOMVVWBYAJJKU-UHFFFAOYSA-N 0 0 446.619 5.164 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 ZINC000064872795 568978067 /nfs/dbraw/zinc/97/80/67/568978067.db2.gz KYIJRTZRLWSJML-UHFFFAOYSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064872931 568978074 /nfs/dbraw/zinc/97/80/74/568978074.db2.gz HATBKKBMUNRBCF-UHFFFAOYSA-N 0 0 432.543 5.480 50 0 IKAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4Cl)cc3)n2)c1 ZINC000064873201 568978283 /nfs/dbraw/zinc/97/82/83/568978283.db2.gz QRZOVNOPECRXQD-UHFFFAOYSA-N 0 0 445.906 5.026 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872340 568978419 /nfs/dbraw/zinc/97/84/19/568978419.db2.gz RWDNQQAGXYHAEB-UHFFFAOYSA-N 0 0 441.325 6.360 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCCOC)C(=O)c1ccccc1C ZINC000036245876 568981480 /nfs/dbraw/zinc/98/14/80/568981480.db2.gz NNDXWQIPUWAOBV-UHFFFAOYSA-N 0 0 435.568 5.175 50 0 IKAARN CC(C)CC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 ZINC000036245808 568981499 /nfs/dbraw/zinc/98/14/99/568981499.db2.gz GHBZACLHYQPCLM-UHFFFAOYSA-N 0 0 435.568 5.746 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccc(Cl)cc1 ZINC000036245929 568981712 /nfs/dbraw/zinc/98/17/12/568981712.db2.gz NAFZNROSGWVQHZ-SFHVURJKSA-N 0 0 439.987 6.281 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1OC ZINC000036245938 568981726 /nfs/dbraw/zinc/98/17/26/568981726.db2.gz QCFHYWZCECFIGN-LJQANCHMSA-N 0 0 435.568 5.636 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CC1CC1)C(=O)c1ccccc1OC ZINC000036246028 568981730 /nfs/dbraw/zinc/98/17/30/568981730.db2.gz AZUATBBSVLKFKS-UHFFFAOYSA-N 0 0 433.552 5.249 50 0 IKAARN COc1cc(OC)cc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246170 568981757 /nfs/dbraw/zinc/98/17/57/568981757.db2.gz OPCOIKHYYCRUNP-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccc(Br)cc1 ZINC000036246216 568981773 /nfs/dbraw/zinc/98/17/73/568981773.db2.gz IHXDKUQAWUJVRT-UHFFFAOYSA-N 0 0 436.758 5.498 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246698 568981853 /nfs/dbraw/zinc/98/18/53/568981853.db2.gz AYYJZQLRNPFRTC-QGZVFWFLSA-N 0 0 429.513 5.108 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246818 568981935 /nfs/dbraw/zinc/98/19/35/568981935.db2.gz DAHNLUFOZAIMNI-QGZVFWFLSA-N 0 0 429.513 5.108 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246821 568981938 /nfs/dbraw/zinc/98/19/38/568981938.db2.gz WGZUWGRMBQQMCL-QGZVFWFLSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246700 568981959 /nfs/dbraw/zinc/98/19/59/568981959.db2.gz AYYJZQLRNPFRTC-KRWDZBQOSA-N 0 0 429.513 5.108 50 0 IKAARN COc1cccc([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246930 568982030 /nfs/dbraw/zinc/98/20/30/568982030.db2.gz CTPXSFOXBKIQLZ-HNNXBMFYSA-N 0 0 436.360 5.959 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246848 568982082 /nfs/dbraw/zinc/98/20/82/568982082.db2.gz UMNDVEUGJODTIZ-INIZCTEOSA-N 0 0 447.503 5.247 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246853 568982147 /nfs/dbraw/zinc/98/21/47/568982147.db2.gz GPLQGIUDMLXIRC-MRXNPFEDSA-N 0 0 431.941 5.314 50 0 IKAARN COc1ccc(CN(c2cccc(OC)c2)S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000036248418 568982723 /nfs/dbraw/zinc/98/27/23/568982723.db2.gz IICPRYBWNAHQBM-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC ZINC000036248484 568982741 /nfs/dbraw/zinc/98/27/41/568982741.db2.gz GWMNQYLZANLCNL-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN COc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC ZINC000036248488 568982779 /nfs/dbraw/zinc/98/27/79/568982779.db2.gz QLBGVZJOCCIRGI-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)c1cccc(OC)c1)C1CC1 ZINC000036248995 568983051 /nfs/dbraw/zinc/98/30/51/568983051.db2.gz FDIGAGCXSBPGDI-UHFFFAOYSA-N 0 0 437.515 5.140 50 0 IKAARN C[C@H](c1ccccc1F)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036248712 568983395 /nfs/dbraw/zinc/98/33/95/568983395.db2.gz JLFSVQIIKZTRRC-CYBMUJFWSA-N 0 0 425.859 5.714 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000036248695 568983396 /nfs/dbraw/zinc/98/33/96/568983396.db2.gz OHMYIZQGPASVGN-INIZCTEOSA-N 0 0 431.941 5.314 50 0 IKAARN COc1cccc([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036248757 568983401 /nfs/dbraw/zinc/98/34/01/568983401.db2.gz BIUUBZORIBSPMO-AWEZNQCLSA-N 0 0 437.895 5.583 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248660 568983409 /nfs/dbraw/zinc/98/34/09/568983409.db2.gz XOLSITVZWVBLND-MRXNPFEDSA-N 0 0 447.503 5.247 50 0 IKAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC ZINC000036248580 568983423 /nfs/dbraw/zinc/98/34/23/568983423.db2.gz JONIMWDXJQYPNP-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248719 568983424 /nfs/dbraw/zinc/98/34/24/568983424.db2.gz MUDIEJOAKKSRHH-INIZCTEOSA-N 0 0 433.932 5.753 50 0 IKAARN O=C(C1CCCC1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H]1CCCO1 ZINC000036249489 568983603 /nfs/dbraw/zinc/98/36/03/568983603.db2.gz DBEFMROABUUNPO-QFIPXVFZSA-N 0 0 437.584 5.030 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C(=O)c1ccccc1 ZINC000036249528 568983733 /nfs/dbraw/zinc/98/37/33/568983733.db2.gz YXCRJOMRNWZKSZ-UHFFFAOYSA-N 0 0 447.579 5.399 50 0 IKAARN Cc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCSCC2)C2CC2)cc1 ZINC000036249606 568984074 /nfs/dbraw/zinc/98/40/74/568984074.db2.gz ZRUOKCQCCMOYAJ-UHFFFAOYSA-N 0 0 433.577 5.008 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 ZINC000064930161 568988004 /nfs/dbraw/zinc/98/80/04/568988004.db2.gz VEXXQJVCOWJUAP-INIZCTEOSA-N 0 0 447.347 5.075 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929354 568988089 /nfs/dbraw/zinc/98/80/89/568988089.db2.gz NUHHFFQBVVMZGJ-UHFFFAOYSA-N 0 0 441.304 5.042 50 0 IKAARN Cc1ccc(CN2CCN(C(=O)Nc3ccccc3Br)c3cccnc32)cc1 ZINC000064929599 568988141 /nfs/dbraw/zinc/98/81/41/568988141.db2.gz YPBIMKYAGGBUHB-UHFFFAOYSA-N 0 0 437.341 5.211 50 0 IKAARN Cc1ccc(CN2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)c3cccnc32)cc1 ZINC000064929622 568988292 /nfs/dbraw/zinc/98/82/92/568988292.db2.gz WHCRCPDFBCFMTR-UHFFFAOYSA-N 0 0 426.442 5.468 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000064930437 568988928 /nfs/dbraw/zinc/98/89/28/568988928.db2.gz VMLXEYVHSCNJHF-KRWDZBQOSA-N 0 0 441.944 5.121 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930439 568988953 /nfs/dbraw/zinc/98/89/53/568988953.db2.gz USDOYOORVPVZJB-KRWDZBQOSA-N 0 0 441.944 5.121 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000064930611 568989048 /nfs/dbraw/zinc/98/90/48/568989048.db2.gz BDUBNYNAEBPSTM-IBGZPJMESA-N 0 0 435.553 5.030 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)Nc3cc(C)ccc3C)s2)cc1 ZINC000064930575 568989050 /nfs/dbraw/zinc/98/90/50/568989050.db2.gz YXJGNPFREGJRCR-LJQANCHMSA-N 0 0 435.553 5.085 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3ccccc3C)c2C(=O)[O-])cc1 ZINC000006795682 568989369 /nfs/dbraw/zinc/98/93/69/568989369.db2.gz MESMHJLJKXDDKM-UHFFFAOYSA-N 0 0 426.560 5.645 50 0 IKAARN CCCSCCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 ZINC000006793485 568989496 /nfs/dbraw/zinc/98/94/96/568989496.db2.gz CUVCDTCVEUQMOJ-UHFFFAOYSA-N 0 0 429.582 5.672 50 0 biogenic IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000006798825 568989989 /nfs/dbraw/zinc/98/99/89/568989989.db2.gz KHNJWDDPDAAQHF-TWOQFEAHSA-N 0 0 427.013 6.835 50 0 IKAARN CCc1ccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)cc1 ZINC000064948758 568994421 /nfs/dbraw/zinc/99/44/21/568994421.db2.gz QBPKTZITLGCLIC-UHFFFAOYSA-N 0 0 439.544 5.995 50 0 IKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)cc1C ZINC000064948751 568994463 /nfs/dbraw/zinc/99/44/63/568994463.db2.gz MDBBOXDLWDHVOW-UHFFFAOYSA-N 0 0 439.544 6.049 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2n2c(-c3ccccc3)nnc12 ZINC000064949366 568995021 /nfs/dbraw/zinc/99/50/21/568995021.db2.gz VIYMTSPAILXPAI-UHFFFAOYSA-N 0 0 439.544 5.292 50 0 IKAARN CSc1ccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc43)n2)cc1 ZINC000064950220 568995671 /nfs/dbraw/zinc/99/56/71/568995671.db2.gz PAZQIYUDWKKZMH-UHFFFAOYSA-N 0 0 426.501 5.133 50 0 IKAARN COc1cccc(Cn2ncc3ccc(C(=O)N[C@H](C)c4ccc(C(C)C)cc4)cc32)c1 ZINC000064955767 568998653 /nfs/dbraw/zinc/99/86/53/568998653.db2.gz HXNHQFAHPJCYPB-LJQANCHMSA-N 0 0 427.548 5.708 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064956000 568998699 /nfs/dbraw/zinc/99/86/99/568998699.db2.gz YVYCCYYFCDVHAP-UHFFFAOYSA-N 0 0 427.548 5.502 50 0 IKAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955664 568998775 /nfs/dbraw/zinc/99/87/75/568998775.db2.gz AQCZRLJENOANHT-QGZVFWFLSA-N 0 0 433.939 5.628 50 0 IKAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccccc2)C(=O)CC(C)C)c1 ZINC000036314185 568998947 /nfs/dbraw/zinc/99/89/47/568998947.db2.gz RWLVNZVBDXEHHM-UHFFFAOYSA-N 0 0 447.579 5.062 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCc2ccc(Br)cc2)C1 ZINC000036314971 568999442 /nfs/dbraw/zinc/99/94/42/568999442.db2.gz VISBYJKGLUOHCO-INIZCTEOSA-N 0 0 443.168 5.577 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](OCc2ccc(Br)cc2)C1 ZINC000036314966 568999470 /nfs/dbraw/zinc/99/94/70/568999470.db2.gz ZVAPEEXGRFAEBI-MRXNPFEDSA-N 0 0 443.168 5.577 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315460 568999627 /nfs/dbraw/zinc/99/96/27/568999627.db2.gz IBXRTCKQEWDPCY-MRXNPFEDSA-N 0 0 448.268 5.713 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315258 568999642 /nfs/dbraw/zinc/99/96/42/568999642.db2.gz XTWHUKOSBWVUKR-MRXNPFEDSA-N 0 0 432.269 5.834 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C[C@@H](O)CC ZINC000036316439 568999762 /nfs/dbraw/zinc/99/97/62/568999762.db2.gz ISZKPGNXSLEOPV-QFIPXVFZSA-N 0 0 445.563 5.593 50 0 IKAARN C[C@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000169683659 568999803 /nfs/dbraw/zinc/99/98/03/568999803.db2.gz IRKARXPTWCTTMK-NANFOGFDSA-N 0 0 425.572 6.006 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(C)cc3)c2c(NCc2ccc(OC(C)C)cc2)n1 ZINC000064960208 569000173 /nfs/dbraw/zinc/00/01/73/569000173.db2.gz JBWOLJZHYSEORG-UHFFFAOYSA-N 0 0 446.507 5.169 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(Cl)cc3)c2c(Nc2cccc3c2CCCC3)n1 ZINC000064960253 569000179 /nfs/dbraw/zinc/00/01/79/569000179.db2.gz LRTTXMAGYYXTQG-UHFFFAOYSA-N 0 0 448.910 5.737 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1OC)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685692 569000412 /nfs/dbraw/zinc/00/04/12/569000412.db2.gz SQGDTMBVLLCXMU-DFBJGRDBSA-N 0 0 434.492 5.246 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685696 569000454 /nfs/dbraw/zinc/00/04/54/569000454.db2.gz FJGWBBGQOFPIDQ-DFBJGRDBSA-N 0 0 434.492 5.246 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2c(C)cccc2C)c1C ZINC000064967608 569001311 /nfs/dbraw/zinc/00/13/11/569001311.db2.gz ZIUIWKNGDCTYAQ-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN CCc1ccccc1NC(=O)c1nnn(Cc2nc(-c3ccc(Cl)cc3)oc2C)c1C ZINC000064967627 569001337 /nfs/dbraw/zinc/00/13/37/569001337.db2.gz MXYUMIJPJGQGKQ-UHFFFAOYSA-N 0 0 435.915 5.066 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1OC ZINC000064967118 569001598 /nfs/dbraw/zinc/00/15/98/569001598.db2.gz UFPZQEZPTKJRAH-UHFFFAOYSA-N 0 0 445.544 5.630 50 0 IKAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1 ZINC000064967138 569001608 /nfs/dbraw/zinc/00/16/08/569001608.db2.gz ASNDETNSARVERE-UHFFFAOYSA-N 0 0 427.573 6.736 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c(OC)c1 ZINC000064967116 569001615 /nfs/dbraw/zinc/00/16/15/569001615.db2.gz PQVNQJHSNSODEG-UHFFFAOYSA-N 0 0 445.544 5.630 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)C2)cc1 ZINC000064967239 569001674 /nfs/dbraw/zinc/00/16/74/569001674.db2.gz KBBLZZLVJXIOCF-UHFFFAOYSA-N 0 0 447.991 6.253 50 0 IKAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(C)cc3)C2)cc1 ZINC000064967234 569001690 /nfs/dbraw/zinc/00/16/90/569001690.db2.gz ZRMAOVJQTPZLKJ-UHFFFAOYSA-N 0 0 443.572 6.320 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000064967186 569001698 /nfs/dbraw/zinc/00/16/98/569001698.db2.gz SWHFLNFPHRLQRX-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)NCc1ccccc1Cl ZINC000064967158 569001710 /nfs/dbraw/zinc/00/17/10/569001710.db2.gz MFTUUEQCAAQHAP-UHFFFAOYSA-N 0 0 433.964 5.944 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3C)C2)cc1 ZINC000064967259 569001735 /nfs/dbraw/zinc/00/17/35/569001735.db2.gz SOHOUCCCGHCXLO-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000064967181 569001739 /nfs/dbraw/zinc/00/17/39/569001739.db2.gz YVMVXCYDDSGSSJ-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)C2)cc1 ZINC000064967209 569001763 /nfs/dbraw/zinc/00/17/63/569001763.db2.gz ZPDCLEMEAYUMTR-UHFFFAOYSA-N 0 0 435.499 6.200 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)Nc1ccc(Cl)cc1F ZINC000064967150 569001781 /nfs/dbraw/zinc/00/17/81/569001781.db2.gz GQPWTXWMUJVUOH-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccccc3OC)C2)cc1 ZINC000064967274 569001791 /nfs/dbraw/zinc/00/17/91/569001791.db2.gz VWXZUQHCYWJDMY-UHFFFAOYSA-N 0 0 445.544 5.630 50 0 IKAARN COc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(C)cc2)C1 ZINC000064967187 569001796 /nfs/dbraw/zinc/00/17/96/569001796.db2.gz ZOGJOFGLCXPNGT-UHFFFAOYSA-N 0 0 429.545 5.930 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967853 569001865 /nfs/dbraw/zinc/00/18/65/569001865.db2.gz YWRWFEFLKPYAHX-UHFFFAOYSA-N 0 0 425.257 5.573 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)c(OC)c1 ZINC000064968495 569001961 /nfs/dbraw/zinc/00/19/61/569001961.db2.gz UHVJEBIAOMGCTN-UHFFFAOYSA-N 0 0 436.895 5.019 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1C ZINC000064967440 569001963 /nfs/dbraw/zinc/00/19/63/569001963.db2.gz CEBZUKCPOBQUMT-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(OC)cc3)C2)cc1 ZINC000064967281 569001982 /nfs/dbraw/zinc/00/19/82/569001982.db2.gz AAIXVYXDGKYLDC-UHFFFAOYSA-N 0 0 445.544 5.630 50 0 IKAARN CC1CCN(c2ccc(NC(=O)c3ccc4nc(CCc5ccccc5)oc4c3)cc2)CC1 ZINC000064968200 569076077 /nfs/dbraw/zinc/07/60/77/569076077.db2.gz IAKABKWUZOEYHY-UHFFFAOYSA-N 0 0 439.559 6.102 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)c2nsc3ccccc32)c1 ZINC000064972622 569076996 /nfs/dbraw/zinc/07/69/96/569076996.db2.gz JEQSRTAKRJSLOL-UHFFFAOYSA-N 0 0 445.544 5.186 50 0 IKAARN CCOC(=O)c1ccc(OC(=O)c2cn(-c3cccc(Cl)c3)c(=O)c3ccccc23)cc1 ZINC000064977302 569077017 /nfs/dbraw/zinc/07/70/17/569077017.db2.gz OVCKYQYQKRTYMM-UHFFFAOYSA-N 0 0 447.874 5.040 50 0 IKAARN O=C(Oc1cccc(C(F)(F)F)c1)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000064977298 569077037 /nfs/dbraw/zinc/07/70/37/569077037.db2.gz MEYHRWYFLXTPHY-UHFFFAOYSA-N 0 0 443.808 5.882 50 0 IKAARN O=C(Oc1ccc(F)cc1)c1cn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 ZINC000064977318 569077050 /nfs/dbraw/zinc/07/70/50/569077050.db2.gz YKYGTQGJWZQGSQ-UHFFFAOYSA-N 0 0 427.353 5.368 50 0 IKAARN CCN1c2ccc(NC(=O)c3ccc(C)c(NC(C)=O)c3)cc2Sc2ccccc2C1=O ZINC000064979722 569078193 /nfs/dbraw/zinc/07/81/93/569078193.db2.gz XRPJSNSZDIDROL-UHFFFAOYSA-N 0 0 445.544 5.337 50 0 IKAARN O=C1C[C@@H](c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)CN1c1cccc(Cl)c1 ZINC000064980110 569078355 /nfs/dbraw/zinc/07/83/55/569078355.db2.gz XHJWSOLSSKASPS-MRXNPFEDSA-N 0 0 447.926 5.375 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)ncn5C4CCCC4)no3)CC2=O)cc1 ZINC000064980109 569078377 /nfs/dbraw/zinc/07/83/77/569078377.db2.gz BEVDURGZKQUSEQ-SFHVURJKSA-N 0 0 427.508 5.030 50 0 IKAARN CCN1c2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980142 569078392 /nfs/dbraw/zinc/07/83/92/569078392.db2.gz WFCBGTOQCJMDOV-UHFFFAOYSA-N 0 0 433.920 6.188 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccccc4OC)n3)cc2Sc2ccccc2C1=O ZINC000064980215 569078413 /nfs/dbraw/zinc/07/84/13/569078413.db2.gz DGFCXGVELRYGCG-UHFFFAOYSA-N 0 0 443.528 5.934 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccc(C)c(F)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980239 569078422 /nfs/dbraw/zinc/07/84/22/569078422.db2.gz GIILWESQDVKVGJ-UHFFFAOYSA-N 0 0 445.519 6.373 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc2N1C1CC1 ZINC000064980250 569078555 /nfs/dbraw/zinc/07/85/55/569078555.db2.gz RTABWIVIBNSNRA-UHFFFAOYSA-N 0 0 429.476 5.817 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(Cc4cccc(F)c4)n3)ccc2N1C1CC1 ZINC000064980257 569078557 /nfs/dbraw/zinc/07/85/57/569078557.db2.gz KEXBVPUZAHPPGS-UHFFFAOYSA-N 0 0 443.503 5.740 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036341194 569079089 /nfs/dbraw/zinc/07/90/89/569079089.db2.gz LQBYMMUAWXIERS-VWLOTQADSA-N 0 0 447.966 5.158 50 0 IKAARN CC1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036341001 569079132 /nfs/dbraw/zinc/07/91/32/569079132.db2.gz KDJUJWYPXKBBFA-JOCHJYFZSA-N 0 0 430.379 5.403 50 0 IKAARN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342142 569079650 /nfs/dbraw/zinc/07/96/50/569079650.db2.gz QVDJKSKZNVBTDG-VWLOTQADSA-N 0 0 441.575 5.746 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036343567 569079764 /nfs/dbraw/zinc/07/97/64/569079764.db2.gz VCYHWWHASLZKCQ-NDEPHWFRSA-N 0 0 437.587 5.348 50 0 IKAARN Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036343620 569079807 /nfs/dbraw/zinc/07/98/07/569079807.db2.gz MTMRIEBEUCULMV-NDEPHWFRSA-N 0 0 437.587 5.348 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036343569 569079866 /nfs/dbraw/zinc/07/98/66/569079866.db2.gz VCYHWWHASLZKCQ-MUUNZHRXSA-N 0 0 437.587 5.348 50 0 IKAARN CCOc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036344113 569080047 /nfs/dbraw/zinc/08/00/47/569080047.db2.gz RJGJRMPIMRJNAD-HHHXNRCGSA-N 0 0 441.575 5.203 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344780 569080289 /nfs/dbraw/zinc/08/02/89/569080289.db2.gz UNEBXUDDNWGOMX-SANMLTNESA-N 0 0 429.539 5.252 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)Cc2ccccc2)c1 ZINC000036344521 569080303 /nfs/dbraw/zinc/08/03/03/569080303.db2.gz AXMKCEUGZJJJAW-AREMUKBSSA-N 0 0 429.539 5.252 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344994 569080491 /nfs/dbraw/zinc/08/04/91/569080491.db2.gz JDFKBVDUCHLALL-HHHXNRCGSA-N 0 0 425.576 5.422 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(C)cc2C)=NN1C(=O)CN(C)c1ccccc1 ZINC000036345350 569080698 /nfs/dbraw/zinc/08/06/98/569080698.db2.gz RVNIEHOXEZUOGH-RUZDIDTESA-N 0 0 427.548 5.126 50 0 IKAARN O=C(c1ccc(Br)cc1)c1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000001627146 569080710 /nfs/dbraw/zinc/08/07/10/569080710.db2.gz NLWHQOBLFPHATE-UHFFFAOYSA-N 0 0 444.122 5.674 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2cc(C)ccc2C)=NN1C(=O)CN(C)c1ccccc1 ZINC000036345369 569080712 /nfs/dbraw/zinc/08/07/12/569080712.db2.gz MJWHUWXAUYOXQB-VWLOTQADSA-N 0 0 427.548 5.126 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)C)C1CC1 ZINC000036345882 569080925 /nfs/dbraw/zinc/08/09/25/569080925.db2.gz GJPIWIZRVLGGMV-XMMPIXPASA-N 0 0 449.595 5.032 50 0 IKAARN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346200 569081102 /nfs/dbraw/zinc/08/11/02/569081102.db2.gz QUZJKKHHGAZCKG-NOZRDPDXSA-N 0 0 449.595 5.033 50 0 IKAARN FC(F)(F)c1ccc([C@H]2c3cccn3CCCN2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347337 569081347 /nfs/dbraw/zinc/08/13/47/569081347.db2.gz PWXKCCIQIWEFDS-QHCPKHFHSA-N 0 0 428.454 5.273 50 0 IKAARN CC(C)c1cccc(Oc2cc(C(C)C)nc(SCc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000036349487 569081709 /nfs/dbraw/zinc/08/17/09/569081709.db2.gz YMRCWFIFIXTEPA-UHFFFAOYSA-N 0 0 446.538 7.827 50 0 IKAARN CC(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349485 569081750 /nfs/dbraw/zinc/08/17/50/569081750.db2.gz VHOHGWGCVAWJQG-UHFFFAOYSA-N 0 0 448.466 6.432 50 0 IKAARN C[C@@H]1Cc2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2N1C(=O)c1ccccc1 ZINC000064989931 569083110 /nfs/dbraw/zinc/08/31/10/569083110.db2.gz DUXOEGMCZPDNOV-MRXNPFEDSA-N 0 0 438.449 5.227 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000064990308 569083220 /nfs/dbraw/zinc/08/32/20/569083220.db2.gz YAQWDCFEQXNIOD-UHFFFAOYSA-N 0 0 449.938 5.182 50 0 IKAARN CSc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990658 569083312 /nfs/dbraw/zinc/08/33/12/569083312.db2.gz NSLKBGWJHQNPTI-QGZVFWFLSA-N 0 0 431.561 5.322 50 0 IKAARN CSc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064990659 569083334 /nfs/dbraw/zinc/08/33/34/569083334.db2.gz NSLKBGWJHQNPTI-KRWDZBQOSA-N 0 0 431.561 5.322 50 0 IKAARN C[C@H]1Cc2ccc(CNC(=O)Nc3ccc(F)c(Cl)c3)cc2N1C(=O)c1ccccc1 ZINC000064990543 569083356 /nfs/dbraw/zinc/08/33/56/569083356.db2.gz AHXAQVDBOCIPAD-HNNXBMFYSA-N 0 0 437.902 5.392 50 0 IKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)c1 ZINC000064990847 569083486 /nfs/dbraw/zinc/08/34/86/569083486.db2.gz AIPWUWQSUMIEJJ-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN COc1cccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000036352152 569083781 /nfs/dbraw/zinc/08/37/81/569083781.db2.gz VJYHOXGJQWDJRY-BVAGGSTKSA-N 0 0 446.978 6.888 50 0 IKAARN CCc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350050 569083788 /nfs/dbraw/zinc/08/37/88/569083788.db2.gz RXRFNPDVHAJVHG-UHFFFAOYSA-N 0 0 427.013 7.383 50 0 IKAARN CCc1cc(Oc2cccc(C(C)C)c2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350239 569083830 /nfs/dbraw/zinc/08/38/30/569083830.db2.gz QWGRLEPBNMMGCZ-UHFFFAOYSA-N 0 0 432.511 7.266 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000036352232 569084085 /nfs/dbraw/zinc/08/40/85/569084085.db2.gz PHNVJAWZPXECER-NOZRDPDXSA-N 0 0 434.923 5.990 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)ccc2F)c1 ZINC000006833903 569084335 /nfs/dbraw/zinc/08/43/35/569084335.db2.gz ARUJWFAUGVXPGK-BXKMTCNYSA-N 0 0 428.573 6.068 50 0 IKAARN C[C@@H](CC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)CC(C)(C)C ZINC000006834341 569084462 /nfs/dbraw/zinc/08/44/62/569084462.db2.gz ICDARQLKKUDSCC-HJPURHCSSA-N 0 0 428.573 6.005 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC ZINC000006838156 569085021 /nfs/dbraw/zinc/08/50/21/569085021.db2.gz FEXZACRANGTKGV-XDHUDOTRSA-N 0 0 426.582 5.629 50 0 IKAARN CC[C@H](C(=O)Nc1nnc(SCc2ccc(C(C)(C)C)cc2)s1)c1ccccc1 ZINC000006837177 569085163 /nfs/dbraw/zinc/08/51/63/569085163.db2.gz FGBHNSKCIWGDOZ-IBGZPJMESA-N 0 0 425.623 6.260 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000036358661 569085285 /nfs/dbraw/zinc/08/52/85/569085285.db2.gz JIPXZEMRCNSSAD-UHFFFAOYSA-N 0 0 431.835 5.761 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1C ZINC000064999538 569086160 /nfs/dbraw/zinc/08/61/60/569086160.db2.gz VNRSLKMBLBACLI-UHFFFAOYSA-N 0 0 440.590 5.069 50 0 IKAARN Cc1cccc(N(C)C(=O)c2c3c(cn(-c4ccc(Cl)cc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000899 569086162 /nfs/dbraw/zinc/08/61/62/569086162.db2.gz IBHLFJNBSYAGJE-UHFFFAOYSA-N 0 0 448.950 5.231 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1 ZINC000064999523 569086185 /nfs/dbraw/zinc/08/61/85/569086185.db2.gz YEQCLCGNCXJEHW-UHFFFAOYSA-N 0 0 440.590 5.014 50 0 IKAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)NC3CCCCCC3)c2C1 ZINC000065000868 569086191 /nfs/dbraw/zinc/08/61/91/569086191.db2.gz GNMRTMQROHHFNS-UHFFFAOYSA-N 0 0 440.971 5.099 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)cc1C ZINC000064999780 569086275 /nfs/dbraw/zinc/08/62/75/569086275.db2.gz AIPUMLRYDHSPDD-UHFFFAOYSA-N 0 0 440.590 5.069 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)c1 ZINC000064999765 569086312 /nfs/dbraw/zinc/08/63/12/569086312.db2.gz NUBYUBTXDWJBEP-UHFFFAOYSA-N 0 0 440.590 5.069 50 0 IKAARN O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036365224 569086820 /nfs/dbraw/zinc/08/68/20/569086820.db2.gz RNBVAGVCFPQNJJ-DEOSSOPVSA-N 0 0 444.506 5.617 50 0 IKAARN O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NC1CCCCC1 ZINC000065005531 569087177 /nfs/dbraw/zinc/08/71/77/569087177.db2.gz JZVIENLLXQDSCM-UHFFFAOYSA-N 0 0 445.563 5.186 50 0 IKAARN CC(C)CCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005669 569087185 /nfs/dbraw/zinc/08/71/85/569087185.db2.gz SDRGWIZPEFIECX-LJQANCHMSA-N 0 0 447.579 5.145 50 0 IKAARN Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NC5CCCC5)CC4)ccc3o2)cc1 ZINC000065006159 569087264 /nfs/dbraw/zinc/08/72/64/569087264.db2.gz VQABCKDILVBQNL-UHFFFAOYSA-N 0 0 445.563 5.104 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc2n1 ZINC000006845819 569088368 /nfs/dbraw/zinc/08/83/68/569088368.db2.gz TZEAPDVQUAPBIA-UHFFFAOYSA-N 0 0 426.560 5.855 50 0 IKAARN COC(=O)c1sc2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2c1OCC(C)C ZINC000065023068 569089112 /nfs/dbraw/zinc/08/91/12/569089112.db2.gz VBJFHRPWQMHNNE-UHFFFAOYSA-N 0 0 442.537 5.684 50 0 IKAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023134 569089197 /nfs/dbraw/zinc/08/91/97/569089197.db2.gz JCIUUOGOAFLYNG-NRFANRHFSA-N 0 0 432.543 5.480 50 0 IKAARN CCOc1c2cc(NC(=O)Nc3ccccc3Br)ccc2sc1C(=O)OC ZINC000065022922 569089855 /nfs/dbraw/zinc/08/98/55/569089855.db2.gz JQIJAXBDJKKVOK-UHFFFAOYSA-N 0 0 449.326 5.493 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC3CCCCCC3)no2)cc1 ZINC000065027131 569090177 /nfs/dbraw/zinc/09/01/77/569090177.db2.gz MLYSZZFRGIADAY-UHFFFAOYSA-N 0 0 447.535 5.267 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)cc1 ZINC000065025799 569090744 /nfs/dbraw/zinc/09/07/44/569090744.db2.gz RRMZJSWLTCUSQF-UHFFFAOYSA-N 0 0 444.579 5.607 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)cc1Cl ZINC000065025791 569090782 /nfs/dbraw/zinc/09/07/82/569090782.db2.gz HNGSCWRLILABKY-UHFFFAOYSA-N 0 0 436.943 5.803 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025739 569090788 /nfs/dbraw/zinc/09/07/88/569090788.db2.gz OFRQTAVPKBCXGT-UHFFFAOYSA-N 0 0 437.341 5.149 50 0 IKAARN Cc1ccc(CNC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)cc1 ZINC000065026410 569090961 /nfs/dbraw/zinc/09/09/61/569090961.db2.gz MKFCCEFTTKUPNY-UHFFFAOYSA-N 0 0 441.600 6.216 50 0 IKAARN O=C(Nc1cccc(Br)c1)Nc1cc(F)c2nc(N3CCCC3)ccc2c1 ZINC000065029697 569090990 /nfs/dbraw/zinc/09/09/90/569090990.db2.gz ZCURQRSSBIYFKM-UHFFFAOYSA-N 0 0 429.293 5.381 50 0 IKAARN CCc1ccc(NC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)cc1 ZINC000065026396 569090993 /nfs/dbraw/zinc/09/09/93/569090993.db2.gz IVYBOEYIKLHALD-UHFFFAOYSA-N 0 0 441.600 6.792 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)cc1F ZINC000065026393 569091026 /nfs/dbraw/zinc/09/10/26/569091026.db2.gz KCGGSFMZZLIWFN-UHFFFAOYSA-N 0 0 445.563 6.677 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CCc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000006858241 569091060 /nfs/dbraw/zinc/09/10/60/569091060.db2.gz LQZJXGSWLZYRJP-OAQYLSRUSA-N 0 0 428.551 5.899 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)c1 ZINC000065033929 569091718 /nfs/dbraw/zinc/09/17/18/569091718.db2.gz UJVUYPQRTQDCAZ-UHFFFAOYSA-N 0 0 432.451 5.319 50 0 IKAARN COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccccc3F)cc21 ZINC000065033991 569091770 /nfs/dbraw/zinc/09/17/70/569091770.db2.gz QYMJFGVGDJYBLP-UHFFFAOYSA-N 0 0 444.462 5.153 50 0 IKAARN CCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3cccs3)cc21 ZINC000065034280 569091813 /nfs/dbraw/zinc/09/18/13/569091813.db2.gz FITYMLWQPUTAFB-UHFFFAOYSA-N 0 0 446.528 5.466 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000006860752 569091844 /nfs/dbraw/zinc/09/18/44/569091844.db2.gz PMRBXMMIKIHNQK-UHFFFAOYSA-N 0 0 434.609 5.667 50 0 IKAARN COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)CC(C)C)cc21 ZINC000065034226 569091866 /nfs/dbraw/zinc/09/18/66/569091866.db2.gz LAFQBIPRXFFFTI-UHFFFAOYSA-N 0 0 426.900 5.092 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc3nc(-c4ccccc4)cc(OC)c3c2)cc1OC ZINC000065034132 569091906 /nfs/dbraw/zinc/09/19/06/569091906.db2.gz GNMLFTRFZWFJKC-UHFFFAOYSA-N 0 0 428.488 5.109 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000065033898 569091981 /nfs/dbraw/zinc/09/19/81/569091981.db2.gz BLZYPPXYRULKCL-UHFFFAOYSA-N 0 0 442.471 5.290 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccccc3OC)cc21 ZINC000065033900 569092030 /nfs/dbraw/zinc/09/20/30/569092030.db2.gz UQZKUEFHGCICIM-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)ncn1 ZINC000065036670 569092627 /nfs/dbraw/zinc/09/26/27/569092627.db2.gz SFVSMUBFWYIURA-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(Oc2cc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)ncn2)cc1 ZINC000065036633 569092640 /nfs/dbraw/zinc/09/26/40/569092640.db2.gz FZDZTAZWLLXLHH-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)ncn2)c1 ZINC000065036684 569092668 /nfs/dbraw/zinc/09/26/68/569092668.db2.gz ZKTUOIMYNFZRNU-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCCC3=CCCCC3)c2)ncn1 ZINC000065036756 569092726 /nfs/dbraw/zinc/09/27/26/569092726.db2.gz JYNKWCOAYSNBAL-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN CCOCCCNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1 ZINC000065036822 569092727 /nfs/dbraw/zinc/09/27/27/569092727.db2.gz WCQWRNGAMRTKAM-UHFFFAOYSA-N 0 0 435.568 5.780 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc1 ZINC000065036794 569092771 /nfs/dbraw/zinc/09/27/71/569092771.db2.gz YLMZMAAQZDELHJ-UHFFFAOYSA-N 0 0 439.515 5.655 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000065036784 569092775 /nfs/dbraw/zinc/09/27/75/569092775.db2.gz PDQFQXVAJRCBSN-UHFFFAOYSA-N 0 0 446.304 5.951 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)ncn1 ZINC000065036763 569092777 /nfs/dbraw/zinc/09/27/77/569092777.db2.gz KKHVPJKFVWJROC-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCCC4=CCCCC4)c3)ncn2)cc1 ZINC000065036721 569092806 /nfs/dbraw/zinc/09/28/06/569092806.db2.gz INUQEPFLYKYDRL-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 ZINC000169759770 569094638 /nfs/dbraw/zinc/09/46/38/569094638.db2.gz FVPCCJYOUBAPBF-DEOSSOPVSA-N 0 0 445.906 5.853 50 0 IKAARN CCOCCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054937 569094806 /nfs/dbraw/zinc/09/48/06/569094806.db2.gz AXGUSFNGANAIAQ-UHFFFAOYSA-N 0 0 425.504 5.221 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)N[C@@H](C)c4ccc(C)cc4)cc3)cn2)cc1 ZINC000065057702 569095227 /nfs/dbraw/zinc/09/52/27/569095227.db2.gz BXXAJJPQJVQWLP-IBGZPJMESA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cn2)cc1 ZINC000065057675 569095273 /nfs/dbraw/zinc/09/52/73/569095273.db2.gz SRSQCEATRXZCRO-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)cn2)c1 ZINC000065057775 569095300 /nfs/dbraw/zinc/09/53/00/569095300.db2.gz SRSBVSJTXXVUJI-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)cn2)cc1 ZINC000065057717 569095303 /nfs/dbraw/zinc/09/53/03/569095303.db2.gz PBQRNFJMDVYGDQ-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 biogenic IKAARN CCOc1ccccc1NC(=O)c1cccc(-c2cnc(Oc3cccc(OC)c3)nc2)c1 ZINC000065057953 569095341 /nfs/dbraw/zinc/09/53/41/569095341.db2.gz JKFJUVAHFJZUFN-UHFFFAOYSA-N 0 0 441.487 5.596 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)cn2)c1 ZINC000065057780 569095347 /nfs/dbraw/zinc/09/53/47/569095347.db2.gz FAMHWQHOPDSXRD-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)c1 ZINC000065057753 569095352 /nfs/dbraw/zinc/09/53/52/569095352.db2.gz NWIHRQQDRKGFPN-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)cn2)c1 ZINC000065057745 569095358 /nfs/dbraw/zinc/09/53/58/569095358.db2.gz COASOHDNJMCLRM-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cn2)c1 ZINC000065057763 569095364 /nfs/dbraw/zinc/09/53/64/569095364.db2.gz ONKXIHHXYFSGBL-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2)c1 ZINC000065057792 569095379 /nfs/dbraw/zinc/09/53/79/569095379.db2.gz OYGJLHWPTQVVCC-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)cn2)c1 ZINC000065057752 569095380 /nfs/dbraw/zinc/09/53/80/569095380.db2.gz ISQJTPLTNRBNAI-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)cc1 ZINC000065057781 569095384 /nfs/dbraw/zinc/09/53/84/569095384.db2.gz MOZPPWFGYRAQOM-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058030 569095397 /nfs/dbraw/zinc/09/53/97/569095397.db2.gz ZXUMRNSURNNZQA-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058014 569095409 /nfs/dbraw/zinc/09/54/09/569095409.db2.gz ULVJMWXBQGEZGP-UHFFFAOYSA-N 0 0 427.479 6.451 50 0 IKAARN COc1cc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc(OC)c1 ZINC000065058026 569095421 /nfs/dbraw/zinc/09/54/21/569095421.db2.gz NCAXZARMTVYWGX-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058039 569095453 /nfs/dbraw/zinc/09/54/53/569095453.db2.gz WUAWYMPZXMTYIM-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)cn2)c1 ZINC000065057991 569095466 /nfs/dbraw/zinc/09/54/66/569095466.db2.gz VXMATWMFCHVZGY-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(Cl)cc4)c3)cn2)c1 ZINC000065057979 569095471 /nfs/dbraw/zinc/09/54/71/569095471.db2.gz ZKPBCRYWZHCQQH-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1cccc(CNC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)c1 ZINC000065058051 569095479 /nfs/dbraw/zinc/09/54/79/569095479.db2.gz RGZQWDZXAHJHGF-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000065060302 569095933 /nfs/dbraw/zinc/09/59/33/569095933.db2.gz GFOREDGJAXAQPO-UHFFFAOYSA-N 0 0 426.922 5.111 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)c1 ZINC000065061140 569096305 /nfs/dbraw/zinc/09/63/05/569096305.db2.gz XVQYJQAXFLBCRE-UHFFFAOYSA-N 0 0 447.922 5.403 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000065061116 569096320 /nfs/dbraw/zinc/09/63/20/569096320.db2.gz BIPNHTWUNUZBPK-UHFFFAOYSA-N 0 0 431.511 5.177 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CCc2c(-c3ccc(C)cc3)nc3ccccn32)cc1 ZINC000065061126 569096322 /nfs/dbraw/zinc/09/63/22/569096322.db2.gz QUQMPJHDFSTGSW-UHFFFAOYSA-N 0 0 427.504 5.058 50 0 IKAARN CN1c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000169766611 569097155 /nfs/dbraw/zinc/09/71/55/569097155.db2.gz GZHJHQFCCRCJTF-DEOSSOPVSA-N 0 0 427.504 5.133 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(C(=O)NCc4ccc(SC)cc4)s3)no2)cc1 ZINC000065062904 569097266 /nfs/dbraw/zinc/09/72/66/569097266.db2.gz YDZNTQNJGQRWED-UHFFFAOYSA-N 0 0 437.546 5.126 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1Cl ZINC000065063203 569097705 /nfs/dbraw/zinc/09/77/05/569097705.db2.gz HPCKHUAVVWQBQR-UHFFFAOYSA-N 0 0 433.870 6.289 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000065063217 569097764 /nfs/dbraw/zinc/09/77/64/569097764.db2.gz POQYSQVRICBDIG-SFHVURJKSA-N 0 0 427.479 5.874 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063302 569097873 /nfs/dbraw/zinc/09/78/73/569097873.db2.gz AVVZKAHDCXGSGM-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1Cl ZINC000065063272 569097887 /nfs/dbraw/zinc/09/78/87/569097887.db2.gz YAQARJODJWCAJP-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000065063266 569097889 /nfs/dbraw/zinc/09/78/89/569097889.db2.gz MMJABVOLFQWZAJ-UHFFFAOYSA-N 0 0 427.479 6.451 50 0 IKAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000036393372 569098375 /nfs/dbraw/zinc/09/83/75/569098375.db2.gz BJQBPYQZWKMCQJ-UHFFFAOYSA-N 0 0 437.348 5.180 50 0 IKAARN Cn1c(Sc2ncnc3scc(-c4ccc(Cl)cc4)c32)nnc1-c1ccco1 ZINC000036393127 569098391 /nfs/dbraw/zinc/09/83/91/569098391.db2.gz PXCAMGCEVPBLSF-UHFFFAOYSA-N 0 0 425.926 5.551 50 0 IKAARN CCCCn1c(C)c(C)nc1SCc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000036394563 569098513 /nfs/dbraw/zinc/09/85/13/569098513.db2.gz RIUQDNODQSVADE-UHFFFAOYSA-N 0 0 428.627 5.538 50 0 IKAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F ZINC000036395304 569098717 /nfs/dbraw/zinc/09/87/17/569098717.db2.gz OJTXZQJBXVVINS-UHFFFAOYSA-N 0 0 434.512 5.058 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1)c1ccco1 ZINC000036395742 569098876 /nfs/dbraw/zinc/09/88/76/569098876.db2.gz ZCYNHNLWKLQLHT-UHFFFAOYSA-N 0 0 449.466 6.106 50 0 IKAARN Cc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cccc(C(C)C)c2)cc1 ZINC000065074919 569099292 /nfs/dbraw/zinc/09/92/92/569099292.db2.gz BXFKGKWSYJJLEF-MUUNZHRXSA-N 0 0 426.560 5.396 50 0 IKAARN Cc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(C(C)C)c2)cc1 ZINC000065074918 569099302 /nfs/dbraw/zinc/09/93/02/569099302.db2.gz BXFKGKWSYJJLEF-NDEPHWFRSA-N 0 0 426.560 5.396 50 0 IKAARN Cc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1ccc(C(C)C)cc1 ZINC000065075012 569099397 /nfs/dbraw/zinc/09/93/97/569099397.db2.gz BSAUOQZIUMYCAU-NDEPHWFRSA-N 0 0 426.560 5.396 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)c1 ZINC000065079651 569100943 /nfs/dbraw/zinc/10/09/43/569100943.db2.gz USBAPPOCDUCTAP-UHFFFAOYSA-N 0 0 433.533 5.038 50 0 IKAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000036398005 569100983 /nfs/dbraw/zinc/10/09/83/569100983.db2.gz GCDKFZJSJWWUST-HHHXNRCGSA-N 0 0 449.558 5.075 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)c1 ZINC000036398078 569101053 /nfs/dbraw/zinc/10/10/53/569101053.db2.gz IFBGBKPQHSZFRJ-UHFFFAOYSA-N 0 0 432.568 5.429 50 0 IKAARN CCOc1ccc2nc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)sc2c1 ZINC000065079196 569101069 /nfs/dbraw/zinc/10/10/69/569101069.db2.gz JDFXEFNQELKTSC-UHFFFAOYSA-N 0 0 434.546 5.252 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)sc12 ZINC000065080858 569101182 /nfs/dbraw/zinc/10/11/82/569101182.db2.gz XKVHVJAXVDXIMW-LJQANCHMSA-N 0 0 445.592 5.262 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)Nc4cccc(C)c4)C3)sc12 ZINC000065080952 569101225 /nfs/dbraw/zinc/10/12/25/569101225.db2.gz ZVFCFGABCMMVFQ-IBGZPJMESA-N 0 0 445.592 5.262 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)c1 ZINC000065080234 569101306 /nfs/dbraw/zinc/10/13/06/569101306.db2.gz NXANVRRBZCWRJV-UHFFFAOYSA-N 0 0 443.434 5.188 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4C)C3)sc12 ZINC000065081360 569101488 /nfs/dbraw/zinc/10/14/88/569101488.db2.gz ZSLRYYSZTZVLFK-KRWDZBQOSA-N 0 0 449.555 5.093 50 0 IKAARN Cc1ccc([C@@H](NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c2cccs2)cc1 ZINC000036398843 569101549 /nfs/dbraw/zinc/10/15/49/569101549.db2.gz YXCSJRYPCIVNJA-HYBUGGRVSA-N 0 0 440.634 5.005 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(OC)cc2)C12CCCCC2 ZINC000169773992 569102102 /nfs/dbraw/zinc/10/21/02/569102102.db2.gz SVJBBWWQVASNME-VWLOTQADSA-N 0 0 448.607 5.097 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085403 569102854 /nfs/dbraw/zinc/10/28/54/569102854.db2.gz KAMQMXAFAOPVFV-UHFFFAOYSA-N 0 0 445.871 5.505 50 0 IKAARN Cc1cccc(-c2noc(-c3ccc(N4CCN(c5cc(C)ccc5C)CC4)nc3)n2)c1 ZINC000065097879 569104136 /nfs/dbraw/zinc/10/41/36/569104136.db2.gz ZSOYMDMVPJYBRG-UHFFFAOYSA-N 0 0 425.536 5.050 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)cc1 ZINC000065098006 569104378 /nfs/dbraw/zinc/10/43/78/569104378.db2.gz TUBUSXNEDILGTP-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN COc1cc(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)cc(OC)c1OC ZINC000065098261 569104655 /nfs/dbraw/zinc/10/46/55/569104655.db2.gz PJVFMTFERKQNGH-UHFFFAOYSA-N 0 0 435.505 5.430 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000169784567 569105186 /nfs/dbraw/zinc/10/51/86/569105186.db2.gz LBGCOKFBMJJJMU-MYCJTRLLSA-N 0 0 447.579 5.211 50 0 IKAARN Cc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000006901236 569105655 /nfs/dbraw/zinc/10/56/55/569105655.db2.gz KBMAMSVVCZUDLT-UHFFFAOYSA-N 0 0 426.560 5.645 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000006901248 569105718 /nfs/dbraw/zinc/10/57/18/569105718.db2.gz SUGYQLMLAISBSQ-UHFFFAOYSA-N 0 0 426.560 5.857 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000065102437 569106105 /nfs/dbraw/zinc/10/61/05/569106105.db2.gz KGXXWNILHKSIMB-UHFFFAOYSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Oc2nccnc2Oc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000065102734 569106210 /nfs/dbraw/zinc/10/62/10/569106210.db2.gz CKCIYTZCNHEWPA-UHFFFAOYSA-N 0 0 429.451 5.439 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2cccc(Br)c2)cc1 ZINC000065111007 569106221 /nfs/dbraw/zinc/10/62/21/569106221.db2.gz IMIQMAIZGHTDPQ-UHFFFAOYSA-N 0 0 430.327 5.071 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000065102713 569106223 /nfs/dbraw/zinc/10/62/23/569106223.db2.gz KUARWGZLGDINPC-UHFFFAOYSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccccc1Oc1nccnc1SCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000065111192 569106307 /nfs/dbraw/zinc/10/63/07/569106307.db2.gz ZETCGSYGCPPVFI-UHFFFAOYSA-N 0 0 433.455 5.005 50 0 IKAARN Cc1ccc(-c2noc(-c3nn(CC(=O)N4CCCc5ccccc54)c4ccccc43)n2)cc1 ZINC000065111282 569106371 /nfs/dbraw/zinc/10/63/71/569106371.db2.gz AXUPJNXEWSQAJQ-UHFFFAOYSA-N 0 0 449.514 5.041 50 0 IKAARN Cc1ccc(-c2noc(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc43)n2)cc1 ZINC000065111260 569106379 /nfs/dbraw/zinc/10/63/79/569106379.db2.gz CGKIQHVSYPULJD-UHFFFAOYSA-N 0 0 443.894 5.354 50 0 IKAARN Cc1cccc(-c2noc(-c3nn(CC(=O)N4CCCc5ccccc54)c4ccccc43)n2)c1 ZINC000065111345 569106497 /nfs/dbraw/zinc/10/64/97/569106497.db2.gz TWDRJDCVGPIVOQ-UHFFFAOYSA-N 0 0 449.514 5.041 50 0 IKAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1 ZINC000065111476 569106501 /nfs/dbraw/zinc/10/65/01/569106501.db2.gz MWTXILVPTUWXPW-UHFFFAOYSA-N 0 0 446.551 5.012 50 0 IKAARN Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc43)n2)c1 ZINC000065111317 569106505 /nfs/dbraw/zinc/10/65/05/569106505.db2.gz LKQMXZAYPDOYIT-UHFFFAOYSA-N 0 0 443.894 5.354 50 0 IKAARN O=C(Nc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1)NC1CCCCC1 ZINC000065114716 569106539 /nfs/dbraw/zinc/10/65/39/569106539.db2.gz OYLMBKRENHRVOQ-UHFFFAOYSA-N 0 0 430.552 5.193 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(Br)cc2)n1 ZINC000065114413 569106564 /nfs/dbraw/zinc/10/65/64/569106564.db2.gz JKJGRWXPIWZLFQ-UHFFFAOYSA-N 0 0 425.330 5.070 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(NC(C)=O)c1 ZINC000065114504 569106575 /nfs/dbraw/zinc/10/65/75/569106575.db2.gz OWDQYORYZQYGIS-HXUWFJFHSA-N 0 0 431.540 5.045 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000065114545 569106597 /nfs/dbraw/zinc/10/65/97/569106597.db2.gz WFVNVRANCQXRBA-CQSZACIVSA-N 0 0 428.458 5.573 50 0 IKAARN COc1cccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccccc2C)c1 ZINC000065115521 569106870 /nfs/dbraw/zinc/10/68/70/569106870.db2.gz XMIQBFGHWIMBKX-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN COc1cccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000065115510 569106895 /nfs/dbraw/zinc/10/68/95/569106895.db2.gz NTHGJJPYJQNSDV-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CN(c1ccccc1C)S(=O)(=O)c1cccs1 ZINC000065115532 569106900 /nfs/dbraw/zinc/10/69/00/569106900.db2.gz IQZBIKIDGOHZKU-UHFFFAOYSA-N 0 0 438.574 5.724 50 0 IKAARN CCOc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)c(C)o2)cc1 ZINC000065115543 569106902 /nfs/dbraw/zinc/10/69/02/569106902.db2.gz IZZXQIBVODJISS-UHFFFAOYSA-N 0 0 448.544 5.444 50 0 IKAARN Cc1ccc(C)c(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000006916071 569108667 /nfs/dbraw/zinc/10/86/67/569108667.db2.gz RXNFVDITWFKJPU-UHFFFAOYSA-N 0 0 427.548 5.859 50 0 IKAARN O=C(Nc1cccc(-c2cn3c(C(=O)N4CCCCC4)csc3n2)c1)c1ccc(F)cc1 ZINC000065129124 569108794 /nfs/dbraw/zinc/10/87/94/569108794.db2.gz UQXOYDSRZZLUSY-UHFFFAOYSA-N 0 0 448.523 5.080 50 0 IKAARN C[C@@H]1CCCCN1c1cc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ncn1 ZINC000065133574 569110082 /nfs/dbraw/zinc/11/00/82/569110082.db2.gz UPHOKYHIBFXRAV-GFCCVEGCSA-N 0 0 444.910 5.258 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000065136247 569110255 /nfs/dbraw/zinc/11/02/55/569110255.db2.gz IYAGRWWRWNIBGU-GOSISDBHSA-N 0 0 447.501 5.354 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000065136551 569110290 /nfs/dbraw/zinc/11/02/90/569110290.db2.gz OGGRDFKPZCVIFZ-IBGZPJMESA-N 0 0 447.501 5.354 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3C(F)(F)F)C2)cc1 ZINC000065136242 569110304 /nfs/dbraw/zinc/11/03/04/569110304.db2.gz PPJFRPYFQPOFMP-GOSISDBHSA-N 0 0 447.501 5.354 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000065136253 569110318 /nfs/dbraw/zinc/11/03/18/569110318.db2.gz VKIZJMHVAJPXAP-LJQANCHMSA-N 0 0 447.501 5.354 50 0 IKAARN O=C(CSc1nccc(N2CCCCCC2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000065151229 569111718 /nfs/dbraw/zinc/11/17/18/569111718.db2.gz HLFTZVXIDDLUHA-UHFFFAOYSA-N 0 0 434.565 5.380 50 0 IKAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c(Br)c1 ZINC000065153628 569111988 /nfs/dbraw/zinc/11/19/88/569111988.db2.gz PGUITMMJYVBCKL-UHFFFAOYSA-N 0 0 445.320 5.529 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153627 569112103 /nfs/dbraw/zinc/11/21/03/569112103.db2.gz VJHFHSOGUQFFDL-UHFFFAOYSA-N 0 0 431.293 5.220 50 0 IKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153692 569112139 /nfs/dbraw/zinc/11/21/39/569112139.db2.gz JHRGXIHXLLWYLT-UHFFFAOYSA-N 0 0 434.421 5.154 50 0 IKAARN O=C(Nc1cccc(Br)c1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168885 569112707 /nfs/dbraw/zinc/11/27/07/569112707.db2.gz BZJINIBHVYBVPW-UHFFFAOYSA-N 0 0 443.732 5.150 50 0 IKAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)Nc4ccccc4Cl)c3)n2)cc1 ZINC000065185617 569113662 /nfs/dbraw/zinc/11/36/62/569113662.db2.gz NOCLQTYNTMRRDF-UHFFFAOYSA-N 0 0 436.924 5.491 50 0 IKAARN Cc1cccc(Oc2cc(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)ncn2)c1C ZINC000065183124 569113680 /nfs/dbraw/zinc/11/36/80/569113680.db2.gz JAZBLLMCVHYVFT-UHFFFAOYSA-N 0 0 444.579 5.864 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1 ZINC000006973807 569114881 /nfs/dbraw/zinc/11/48/81/569114881.db2.gz JQCYCSATFOYJGG-UHFFFAOYSA-N 0 0 445.466 5.000 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000013115911 569116671 /nfs/dbraw/zinc/11/66/71/569116671.db2.gz MKPDWTIMXONYFU-DEOSSOPVSA-N 0 0 442.588 5.669 50 0 IKAARN Cc1cccc(-c2noc(-c3sccc3NC(=O)c3ccccc3C(F)(F)F)n2)c1 ZINC000065219294 569117126 /nfs/dbraw/zinc/11/71/26/569117126.db2.gz PMHAVBHYAAZHDU-UHFFFAOYSA-N 0 0 429.423 6.045 50 0 IKAARN CSc1ncccc1C(=O)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000065219404 569117166 /nfs/dbraw/zinc/11/71/66/569117166.db2.gz GYNDMDRBNRZGBM-UHFFFAOYSA-N 0 0 430.461 5.113 50 0 IKAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(F)c(F)c3)no2)c(C)c1 ZINC000065219445 569117267 /nfs/dbraw/zinc/11/72/67/569117267.db2.gz FTWXTATWEHVQKX-UHFFFAOYSA-N 0 0 427.432 5.313 50 0 IKAARN COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1Cl ZINC000065218971 569117412 /nfs/dbraw/zinc/11/74/12/569117412.db2.gz DVKXKKWNOHBNLV-UHFFFAOYSA-N 0 0 439.924 5.617 50 0 IKAARN O=C(Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCO2 ZINC000065219177 569117413 /nfs/dbraw/zinc/11/74/13/569117413.db2.gz RPYLJQJMKZKBFJ-UHFFFAOYSA-N 0 0 425.853 5.100 50 0 IKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)c3ccccc3Br)n2)cc1 ZINC000065218939 569117418 /nfs/dbraw/zinc/11/74/18/569117418.db2.gz KJTCBMJAHFXCRX-UHFFFAOYSA-N 0 0 440.322 5.788 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000007007231 569117886 /nfs/dbraw/zinc/11/78/86/569117886.db2.gz XMNUFCGZLJELFQ-UHFFFAOYSA-N 0 0 425.960 5.760 50 0 IKAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)oc2C)c1 ZINC000065232412 569119011 /nfs/dbraw/zinc/11/90/11/569119011.db2.gz JCXOWLKWSGMHON-UHFFFAOYSA-N 0 0 440.425 5.474 50 0 IKAARN CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253498413 569120757 /nfs/dbraw/zinc/12/07/57/569120757.db2.gz CCORPVHYPHHRKB-FCVYVCDASA-N 0 0 442.728 8.350 50 0 biogenic IKAARN COc1cc(NC(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)cc(OC)c1 ZINC000065240937 569120868 /nfs/dbraw/zinc/12/08/68/569120868.db2.gz BCYBNHXHDVZWIP-UHFFFAOYSA-N 0 0 436.537 5.319 50 0 IKAARN COC(=O)c1cccc(NC(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)c1 ZINC000065240956 569120881 /nfs/dbraw/zinc/12/08/81/569120881.db2.gz MUTXAIXWUDMMJH-UHFFFAOYSA-N 0 0 434.521 5.088 50 0 IKAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c12 ZINC000036615863 569122619 /nfs/dbraw/zinc/12/26/19/569122619.db2.gz XLEFPYOQUOBBPP-UHFFFAOYSA-N 0 0 430.577 5.100 50 0 IKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1cccc(OC)c1OC ZINC000036615797 569122627 /nfs/dbraw/zinc/12/26/27/569122627.db2.gz FGKQRAXQORCEOF-UHFFFAOYSA-N 0 0 430.508 5.005 50 0 IKAARN Cc1ccc(-n2nc(-c3ccccc3Cl)c(Cl)c2-c2ccccc2Cl)cc1Cl ZINC000036611285 569123456 /nfs/dbraw/zinc/12/34/56/569123456.db2.gz QSUPSAQRMJDGGI-UHFFFAOYSA-N 0 0 448.180 8.128 50 0 IKAARN Clc1c(-c2ccccc2Cl)nn(-c2ccc(Cl)cc2)c1-c1ccccc1Cl ZINC000036611288 569123467 /nfs/dbraw/zinc/12/34/67/569123467.db2.gz CXVPFZMWLQGHMQ-UHFFFAOYSA-N 0 0 434.153 7.820 50 0 IKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)cc1 ZINC000036611566 569123645 /nfs/dbraw/zinc/12/36/45/569123645.db2.gz KEUBDZJHCFLYII-UHFFFAOYSA-N 0 0 429.951 6.434 50 0 IKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1cc(C)n(C2CCCC2)n1 ZINC000036613197 569123678 /nfs/dbraw/zinc/12/36/78/569123678.db2.gz SHCWRWDXPQTTNM-UHFFFAOYSA-N 0 0 442.567 5.607 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCc3cc4c(s3)CCCC4)c3c(C)noc3n2)cc1 ZINC000036613706 569123939 /nfs/dbraw/zinc/12/39/39/569123939.db2.gz XKJACTPBAAJDPJ-UHFFFAOYSA-N 0 0 433.533 5.077 50 0 IKAARN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000036613775 569123941 /nfs/dbraw/zinc/12/39/41/569123941.db2.gz PLFLNBDZKBCJGW-GOSISDBHSA-N 0 0 426.626 5.693 50 0 IKAARN CC(C)N1c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2Sc2ncccc2C1=O ZINC000065258535 569124440 /nfs/dbraw/zinc/12/44/40/569124440.db2.gz IOSGLBIFIXECIG-INIZCTEOSA-N 0 0 433.533 5.007 50 0 IKAARN CCN1c2ccc(NC(=O)c3c(F)cccc3Cl)cc2Sc2ncccc2C1=O ZINC000065258463 569124464 /nfs/dbraw/zinc/12/44/64/569124464.db2.gz AGOGWKSDLIJURB-UHFFFAOYSA-N 0 0 427.888 5.258 50 0 IKAARN CN1c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2Sc2ncccc2C1=O ZINC000065258382 569124516 /nfs/dbraw/zinc/12/45/16/569124516.db2.gz YZRGDSUDCQOJQN-UHFFFAOYSA-N 0 0 429.423 5.094 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)cc1 ZINC000065258570 569124541 /nfs/dbraw/zinc/12/45/41/569124541.db2.gz MTYAZSIPIXYNJB-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN CC(C)N1c2ccc(NC(=O)c3ccc(Cl)s3)cc2Sc2ncccc2C1=O ZINC000065258541 569124562 /nfs/dbraw/zinc/12/45/62/569124562.db2.gz LGJLIUXZTFXZQY-UHFFFAOYSA-N 0 0 429.954 5.569 50 0 IKAARN CC(C)N1c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2Sc2ncccc2C1=O ZINC000065258572 569124615 /nfs/dbraw/zinc/12/46/15/569124615.db2.gz SIRSOWJNTDWPJZ-UHFFFAOYSA-N 0 0 441.915 5.646 50 0 IKAARN O=C([C@H](Sc1nc(-c2cccs2)nc2ccccc21)c1ccccc1)N1CCOCC1 ZINC000013127273 569125130 /nfs/dbraw/zinc/12/51/30/569125130.db2.gz FGKJHNNMOWVSMY-OAQYLSRUSA-N 0 0 447.585 5.051 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4o3)n2-c2ccccc2)cc1 ZINC000013128995 569125265 /nfs/dbraw/zinc/12/52/65/569125265.db2.gz PPPGYEYFAYRSKY-UHFFFAOYSA-N 0 0 440.572 6.665 50 0 IKAARN COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)c2c1 ZINC000013129787 569125322 /nfs/dbraw/zinc/12/53/22/569125322.db2.gz RGSMXJRRSQSKPR-UHFFFAOYSA-N 0 0 440.455 5.094 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1cc(C)cc(C)c1 ZINC000013131698 569125376 /nfs/dbraw/zinc/12/53/76/569125376.db2.gz QMPPJLIYEDVLMU-UHFFFAOYSA-N 0 0 426.513 5.398 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)NCCC(C)C)nnc1-c1ccc(Cl)cc1 ZINC000013134122 569125482 /nfs/dbraw/zinc/12/54/82/569125482.db2.gz CAIDAOWFDJFMPD-UHFFFAOYSA-N 0 0 428.989 5.151 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000013134019 569125505 /nfs/dbraw/zinc/12/55/05/569125505.db2.gz UTFJORYEQNQRKK-UHFFFAOYSA-N 0 0 445.331 5.565 50 0 IKAARN Cc1ccc(NC(=O)CN(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1 ZINC000013133880 569125514 /nfs/dbraw/zinc/12/55/14/569125514.db2.gz KINXDVKVIWJIBM-UHFFFAOYSA-N 0 0 443.576 5.015 50 0 IKAARN CCOc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000013134220 569125528 /nfs/dbraw/zinc/12/55/28/569125528.db2.gz IMBAMUBFFGYXCS-HXUWFJFHSA-N 0 0 429.973 5.648 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1cc(F)ccc1F ZINC000013133997 569125550 /nfs/dbraw/zinc/12/55/50/569125550.db2.gz ZOHBOSBARYADTA-UHFFFAOYSA-N 0 0 434.439 5.060 50 0 IKAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000013134051 569125561 /nfs/dbraw/zinc/12/55/61/569125561.db2.gz INOMXQHFCJCVNP-UHFFFAOYSA-N 0 0 448.588 5.022 50 0 IKAARN Cc1cc2[nH]c(C(=O)OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc2c(C)c1 ZINC000036626424 569126338 /nfs/dbraw/zinc/12/63/38/569126338.db2.gz OOKAWWCMSUEQDC-UHFFFAOYSA-N 0 0 425.699 5.540 50 0 IKAARN COc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000007060004 569128066 /nfs/dbraw/zinc/12/80/66/569128066.db2.gz WFYNWERVHZHKIM-JOCHJYFZSA-N 0 0 427.331 6.366 50 0 IKAARN COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000007059310 569128305 /nfs/dbraw/zinc/12/83/05/569128305.db2.gz XTGXWOPQPIPISG-RAXRNYJGSA-N 0 0 444.575 5.598 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCCC2)cc1 ZINC000007063305 569130253 /nfs/dbraw/zinc/13/02/53/569130253.db2.gz XPDJIMNFWFFXKM-AREMUKBSSA-N 0 0 427.548 5.012 50 0 IKAARN CC(=O)c1c(C)nn(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1C ZINC000036640158 569130301 /nfs/dbraw/zinc/13/03/01/569130301.db2.gz ZZEWEECMZDPVRE-QGZVFWFLSA-N 0 0 430.335 5.178 50 0 IKAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)Nc1cccc(Br)c1 ZINC000065297787 569131863 /nfs/dbraw/zinc/13/18/63/569131863.db2.gz OFRJLQSHDQDPNK-UHFFFAOYSA-N 0 0 446.370 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/nfs/dbraw/zinc/13/48/65/569134865.db2.gz AVKFIWHAVZZGCO-UHFFFAOYSA-N 0 0 425.554 5.462 50 0 IKAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(N(CC)CC)cc3)c(NCCOC)n21 ZINC000065319364 569134900 /nfs/dbraw/zinc/13/49/00/569134900.db2.gz OIMPFCQSCHTWNT-UHFFFAOYSA-N 0 0 438.597 5.519 50 0 IKAARN CCOc1ccc(-c2nc3sc4cc(Cl)ccc4n3c2NCCOC)cc1OC ZINC000065319410 569134902 /nfs/dbraw/zinc/13/49/02/569134902.db2.gz IZKOYEJUXGFMCK-UHFFFAOYSA-N 0 0 431.945 5.335 50 0 IKAARN CCN1c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2ccccc2S1(=O)=O ZINC000065315063 569135680 /nfs/dbraw/zinc/13/56/80/569135680.db2.gz OZJSUTIULZXUOG-UHFFFAOYSA-N 0 0 426.925 5.096 50 0 IKAARN CCN1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2-c2ccccc2S1(=O)=O ZINC000065315065 569135708 /nfs/dbraw/zinc/13/57/08/569135708.db2.gz LVLZZVHWSSJEJY-UHFFFAOYSA-N 0 0 426.925 5.096 50 0 IKAARN COc1cccc(NC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1OC ZINC000036709064 569136147 /nfs/dbraw/zinc/13/61/47/569136147.db2.gz VGGIDGCIDFAAGK-UHFFFAOYSA-N 0 0 430.338 5.840 50 0 IKAARN 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ZINC000010059178 569152020 /nfs/dbraw/zinc/15/20/20/569152020.db2.gz OUNFAZUNNPFPQD-OAQYLSRUSA-N 0 0 432.328 5.062 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000010059092 569152070 /nfs/dbraw/zinc/15/20/70/569152070.db2.gz SFZXWRRPDZZGNR-MHZLTWQESA-N 0 0 447.962 5.645 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1C ZINC000010059181 569152084 /nfs/dbraw/zinc/15/20/84/569152084.db2.gz DHWLJOFDHJHIQF-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000010059516 569152235 /nfs/dbraw/zinc/15/22/35/569152235.db2.gz UZRJJBQKACWMSQ-LJAQVGFWSA-N 0 0 435.523 5.410 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000010059519 569152247 /nfs/dbraw/zinc/15/22/47/569152247.db2.gz MSVWZQXQYZYXAX-SSEXGKCCSA-N 0 0 449.550 5.971 50 0 IKAARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000010059610 569152307 /nfs/dbraw/zinc/15/23/07/569152307.db2.gz YINNRXHQONSTFJ-SVEHJYQDSA-N 0 0 433.507 5.020 50 0 IKAARN O=C(CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1cccc(Cl)c1 ZINC000010059906 569152313 /nfs/dbraw/zinc/15/23/13/569152313.db2.gz ZNVCJMVMBGBPSU-UHFFFAOYSA-N 0 0 445.914 5.063 50 0 IKAARN COc1cc(-c2nc3cc(NC(=O)c4cccc(Cl)c4)ccc3o2)cc(OC)c1OC ZINC000010120163 569152667 /nfs/dbraw/zinc/15/26/67/569152667.db2.gz CMUILMKQMNSAPK-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1Cl ZINC000010181955 569152674 /nfs/dbraw/zinc/15/26/74/569152674.db2.gz RUWVEKTUWKYSTJ-MRXNPFEDSA-N 0 0 435.911 5.308 50 0 IKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(Cl)c12 ZINC000010220413 569152912 /nfs/dbraw/zinc/15/29/12/569152912.db2.gz FTHGBMDULNPCLV-UHFFFAOYSA-N 0 0 446.816 5.533 50 0 IKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12 ZINC000010220412 569152940 /nfs/dbraw/zinc/15/29/40/569152940.db2.gz BMUTWBOLZRDSOT-UHFFFAOYSA-N 0 0 430.817 5.653 50 0 IKAARN CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000010217287 569153265 /nfs/dbraw/zinc/15/32/65/569153265.db2.gz KVAFTUPMWQKTSB-GOSISDBHSA-N 0 0 443.576 5.572 50 0 IKAARN COc1ccc(SCCCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000010217967 569153392 /nfs/dbraw/zinc/15/33/92/569153392.db2.gz KFIWHDFJUVIXFP-UHFFFAOYSA-N 0 0 444.578 5.347 50 0 IKAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000010218604 569153510 /nfs/dbraw/zinc/15/35/10/569153510.db2.gz RCPFJUGWNMIBND-UHFFFAOYSA-N 0 0 443.377 5.104 50 0 IKAARN COc1ccc(SCCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000010219550 569153705 /nfs/dbraw/zinc/15/37/05/569153705.db2.gz DICNRRCLVWWMMD-UHFFFAOYSA-N 0 0 436.558 5.798 50 0 IKAARN COc1cccc(C(=O)N(Cc2ccncc2)c2nc3c(s2)c(C)ccc3C)c1OC ZINC000010254333 569154198 /nfs/dbraw/zinc/15/41/98/569154198.db2.gz WRTUBDXGAMSUNK-UHFFFAOYSA-N 0 0 433.533 5.172 50 0 IKAARN COc1ccc2nc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)sc2c1 ZINC000010254377 569154201 /nfs/dbraw/zinc/15/42/01/569154201.db2.gz HGXDBPYQLYWUOQ-UHFFFAOYSA-N 0 0 435.574 5.198 50 0 IKAARN O=C(c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)N1CCCCCC1 ZINC000071795041 569154317 /nfs/dbraw/zinc/15/43/17/569154317.db2.gz DSAUXQLLBNUEJV-UHFFFAOYSA-N 0 0 441.647 5.972 50 0 IKAARN C[C@H]1CN(C(=O)Cn2cc(SCc3cccc4ccccc43)c3ccccc32)C[C@H](C)O1 ZINC000010459079 569154795 /nfs/dbraw/zinc/15/47/95/569154795.db2.gz HAGBIXZOMRJGGB-PMACEKPBSA-N 0 0 444.600 5.723 50 0 IKAARN Fc1cccc(Cl)c1Cn1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000013330340 569155163 /nfs/dbraw/zinc/15/51/63/569155163.db2.gz KLXPORVRUYNLEE-UHFFFAOYSA-N 0 0 429.735 5.840 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320437 569154868 /nfs/dbraw/zinc/15/48/68/569154868.db2.gz FGSDRNYBYFOLIG-UHFFFAOYSA-N 0 0 432.873 6.703 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4OC)=NN32)cc1 ZINC000013303745 569154869 /nfs/dbraw/zinc/15/48/69/569154869.db2.gz GDKBUQQZRLFZJM-OZXSUGGESA-N 0 0 430.504 5.345 50 0 IKAARN CCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000013320469 569154920 /nfs/dbraw/zinc/15/49/20/569154920.db2.gz RBOAXCPFYYTZFQ-IPAUSASBSA-N 0 0 428.926 6.865 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](CCC[C@H]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013303633 569154954 /nfs/dbraw/zinc/15/49/54/569154954.db2.gz OXLKVVAPTOWHKX-NZJKTDFXSA-N 0 0 443.978 6.944 50 0 IKAARN CC(C)c1cc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)n2C)cs1 ZINC000013322911 569155021 /nfs/dbraw/zinc/15/50/21/569155021.db2.gz FYWNNAQHIRSLNQ-DLBZAZTESA-N 0 0 434.675 5.480 50 0 IKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)Nc1cc(Cl)ccc1Cl ZINC000013329379 569155134 /nfs/dbraw/zinc/15/51/34/569155134.db2.gz NMZIRTDVJPOQDS-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 ZINC000013330382 569155139 /nfs/dbraw/zinc/15/51/39/569155139.db2.gz WEZWNTAQLGAQCR-UHFFFAOYSA-N 0 0 428.842 5.259 50 0 IKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000013330423 569155175 /nfs/dbraw/zinc/15/51/75/569155175.db2.gz SQPJCJCSWRMWHT-UHFFFAOYSA-N 0 0 425.772 6.009 50 0 IKAARN S=C(Nc1ccn(Cc2cccc3ccccc32)n1)Nc1cccc(Cl)c1Cl ZINC000013329393 569155180 /nfs/dbraw/zinc/15/51/80/569155180.db2.gz OBAUARREZIDBSO-UHFFFAOYSA-N 0 0 427.360 6.200 50 0 IKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000013330776 569155187 /nfs/dbraw/zinc/15/51/87/569155187.db2.gz DVEWLINXDDVDIU-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325429 569155193 /nfs/dbraw/zinc/15/51/93/569155193.db2.gz WPJHUXBQXHVMBV-UHFFFAOYSA-N 0 0 429.170 5.844 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1Cl ZINC000013331363 569155290 /nfs/dbraw/zinc/15/52/90/569155290.db2.gz QMXXJVGTIOFXAA-UHFFFAOYSA-N 0 0 432.883 5.002 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@@H](c2ccccc2)CC3)cc1 ZINC000013575336 569155797 /nfs/dbraw/zinc/15/57/97/569155797.db2.gz KXXSHNBMRIXNIM-QFIPXVFZSA-N 0 0 435.523 5.855 50 0 IKAARN Cc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=S)Nc4ccccc4)c3)C2=O)cc1 ZINC000013577357 569155845 /nfs/dbraw/zinc/15/58/45/569155845.db2.gz CBMBLSYXVBMOEG-NRFANRHFSA-N 0 0 447.585 5.228 50 0 IKAARN Cc1ccccc1N1C(=O)C[C@H](Sc2cccc(NC(=O)Nc3ccccc3)c2)C1=O ZINC000013576757 569155847 /nfs/dbraw/zinc/15/58/47/569155847.db2.gz JNCVQTQHGDTRMM-NRFANRHFSA-N 0 0 431.517 5.063 50 0 IKAARN Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000013578815 569155980 /nfs/dbraw/zinc/15/59/80/569155980.db2.gz MLMOOEYZXAOIBZ-NRFANRHFSA-N 0 0 431.517 5.063 50 0 IKAARN Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1C ZINC000013578817 569155992 /nfs/dbraw/zinc/15/59/92/569155992.db2.gz NSODVGHPBMILLK-QFIPXVFZSA-N 0 0 445.544 5.372 50 0 IKAARN O=C(Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C1CCCCC1 ZINC000013578939 569156050 /nfs/dbraw/zinc/15/60/50/569156050.db2.gz KGWXZYSYDKVJOO-FQEVSTJZSA-N 0 0 442.968 5.283 50 0 IKAARN COc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000013590825 569156312 /nfs/dbraw/zinc/15/63/12/569156312.db2.gz MLALGXASONXJIF-STZFKDTASA-N 0 0 448.320 5.262 50 0 IKAARN O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)Nc1ccccc1C(F)(F)F ZINC000013609150 569156475 /nfs/dbraw/zinc/15/64/75/569156475.db2.gz XMDBYTPBOCLMRU-UHFFFAOYSA-N 0 0 427.430 5.407 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013695398 569156561 /nfs/dbraw/zinc/15/65/61/569156561.db2.gz QOXXXGFYLFMPCE-UHFFFAOYSA-N 0 0 447.878 5.352 50 0 IKAARN Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(C(C)C)cc1 ZINC000013746565 569156883 /nfs/dbraw/zinc/15/68/83/569156883.db2.gz NPRCLOVLBJCEBT-UHFFFAOYSA-N 0 0 430.371 6.648 50 0 IKAARN CC(C)Cc1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1 ZINC000013746023 569156929 /nfs/dbraw/zinc/15/69/29/569156929.db2.gz YBYMOBPLCLPGRU-UHFFFAOYSA-N 0 0 430.371 6.415 50 0 IKAARN Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000013914659 569157298 /nfs/dbraw/zinc/15/72/98/569157298.db2.gz YNIDBUSUTXIBCV-JCMHNJIXSA-N 0 0 444.512 5.253 50 0 IKAARN Cc1ccnc2c1cccc2N1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000250883805 569157601 /nfs/dbraw/zinc/15/76/01/569157601.db2.gz XRLQGYUSLYWAFI-ADUOGZPQSA-N 0 0 444.534 5.786 50 0 IKAARN Cc1cc2sc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)nc2c(C)c1 ZINC000014163099 569157907 /nfs/dbraw/zinc/15/79/07/569157907.db2.gz DZJIOUVYOXLEFQ-UHFFFAOYSA-N 0 0 430.558 6.080 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(-c3nnco3)cc1)oc1ccccc12 ZINC000014354364 569158718 /nfs/dbraw/zinc/15/87/18/569158718.db2.gz QHSOGLYEOGTXNE-AWEZNQCLSA-N 0 0 429.432 5.051 50 0 IKAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 ZINC000014426545 569159132 /nfs/dbraw/zinc/15/91/32/569159132.db2.gz AFMSXUDUWBFGSA-UHFFFAOYSA-N 0 0 434.989 5.082 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1I ZINC000014582981 569159372 /nfs/dbraw/zinc/15/93/72/569159372.db2.gz JOTNXKYNBORICS-UHFFFAOYSA-N 0 0 449.210 5.351 50 0 IKAARN CCc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000014609990 569159462 /nfs/dbraw/zinc/15/94/62/569159462.db2.gz BVQOAUJQVIFTQM-UHFFFAOYSA-N 0 0 432.911 5.411 50 0 IKAARN CCOc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccccc3Cl)n2)cc1 ZINC000014610108 569159579 /nfs/dbraw/zinc/15/95/79/569159579.db2.gz CNRKKISCQVWJRW-UHFFFAOYSA-N 0 0 448.910 5.247 50 0 IKAARN COc1ccc(-c2cc(C(=O)Oc3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1OC ZINC000014628165 569159588 /nfs/dbraw/zinc/15/95/88/569159588.db2.gz CJYROUNJIGIBFP-UHFFFAOYSA-N 0 0 442.471 5.097 50 0 IKAARN COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)cc1 ZINC000016711372 569159925 /nfs/dbraw/zinc/15/99/25/569159925.db2.gz RQJMSBHYHOEBIJ-RWEWTDSWSA-N 0 0 441.383 6.813 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)s2)cc1 ZINC000089635199 569160119 /nfs/dbraw/zinc/16/01/19/569160119.db2.gz ZPQOGFBXXJJKOZ-UHFFFAOYSA-N 0 0 446.601 5.588 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000089643248 569160412 /nfs/dbraw/zinc/16/04/12/569160412.db2.gz NJXWKFHPIKUQMI-UHFFFAOYSA-N 0 0 429.925 5.001 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662087 569160965 /nfs/dbraw/zinc/16/09/65/569160965.db2.gz GCSKBMGZXBBUQY-VQTJNVASSA-N 0 0 445.991 5.749 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662096 569160996 /nfs/dbraw/zinc/16/09/96/569160996.db2.gz GCSKBMGZXBBUQY-UXHICEINSA-N 0 0 445.991 5.749 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3cccc(C)c3)C2)cc1 ZINC000089669346 569161073 /nfs/dbraw/zinc/16/10/73/569161073.db2.gz UGNXARGGKRRVOU-LJQANCHMSA-N 0 0 439.309 5.351 50 0 IKAARN COc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000089669228 569161111 /nfs/dbraw/zinc/16/11/11/569161111.db2.gz PXAYKNQUACBMBS-QFIPXVFZSA-N 0 0 445.906 5.790 50 0 IKAARN CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000089677965 569161195 /nfs/dbraw/zinc/16/11/95/569161195.db2.gz SMZQPOBYJIVSES-SANMLTNESA-N 0 0 436.515 5.251 50 0 IKAARN Cc1ccccc1Nc1nnc(SCc2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000089690669 569161402 /nfs/dbraw/zinc/16/14/02/569161402.db2.gz JZXAJKSUIDUWEN-UHFFFAOYSA-N 0 0 431.011 6.659 50 0 IKAARN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000016776851 569161778 /nfs/dbraw/zinc/16/17/78/569161778.db2.gz QEDGTXKZELZINV-QHCPKHFHSA-N 0 0 439.559 5.248 50 0 IKAARN O=C(Nc1cccc(NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c1)c1cccs1 ZINC000089780545 569162783 /nfs/dbraw/zinc/16/27/83/569162783.db2.gz JEXZKHFEBVTCHI-LJQANCHMSA-N 0 0 441.940 5.339 50 0 IKAARN COc1ccc(-c2nc(CSc3nc(-c4cccc(OC)c4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000016840826 569163224 /nfs/dbraw/zinc/16/32/24/569163224.db2.gz HQIFNPANIGVULJ-UHFFFAOYSA-N 0 0 435.505 5.122 50 0 IKAARN CCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000016843275 569163600 /nfs/dbraw/zinc/16/36/00/569163600.db2.gz SGOGSQRMVDMTKL-UHFFFAOYSA-N 0 0 432.958 5.254 50 0 IKAARN Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3CCC(C)C)n2)c1 ZINC000016843545 569163721 /nfs/dbraw/zinc/16/37/21/569163721.db2.gz PXTOOSVYLYXMKA-UHFFFAOYSA-N 0 0 426.567 5.155 50 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/nfs/dbraw/zinc/17/11/09/569171109.db2.gz AVNBDNDSSFLBFR-UHFFFAOYSA-N 0 0 439.540 5.459 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000008448794 569171751 /nfs/dbraw/zinc/17/17/51/569171751.db2.gz UVENLNUCIGQZGY-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3ccc(C)cc3)cc2c1=O ZINC000017051460 569171843 /nfs/dbraw/zinc/17/18/43/569171843.db2.gz WHMUONBRMAETJN-UHFFFAOYSA-N 0 0 430.895 5.137 50 0 IKAARN FC(F)(F)c1cccc(CN2CCN(c3cc(Oc4ccc(Cl)cc4)ncn3)CC2)c1 ZINC000037356361 569172106 /nfs/dbraw/zinc/17/21/06/569172106.db2.gz WCWNFBZLWSRFLB-UHFFFAOYSA-N 0 0 448.876 5.263 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@@H]1C ZINC000037356342 569172175 /nfs/dbraw/zinc/17/21/75/569172175.db2.gz KYLIETCCYAUOQG-DLBZAZTESA-N 0 0 448.970 5.315 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)C[C@H]1C ZINC000037356596 569172264 /nfs/dbraw/zinc/17/22/64/569172264.db2.gz PNDMCZDCQJZSQR-MRXNPFEDSA-N 0 0 434.943 5.069 50 0 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O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)NC1CCCCC1 ZINC000017200823 569175980 /nfs/dbraw/zinc/17/59/80/569175980.db2.gz UYMZTIGHNAWXNP-UHFFFAOYSA-N 0 0 449.555 5.096 50 0 IKAARN Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CCCC1)nc2-c1ccccc1F ZINC000037358313 569176181 /nfs/dbraw/zinc/17/61/81/569176181.db2.gz KCHAWMPSAOTYAQ-UHFFFAOYSA-N 0 0 443.313 5.111 50 0 IKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)CCc2ccccc2)cc1OC ZINC000000937025 569176344 /nfs/dbraw/zinc/17/63/44/569176344.db2.gz ICNUIDJTBVHFQK-UHFFFAOYSA-N 0 0 430.456 5.015 50 0 IKAARN CCc1nc2c3ccccc3oc2c(Nc2ccc(-c3nc4ccccc4s3)c(O)c2)n1 ZINC000017250248 569176438 /nfs/dbraw/zinc/17/64/38/569176438.db2.gz YAGXWUKHRIQCJN-UHFFFAOYSA-N 0 0 438.512 6.664 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000954912 569176464 /nfs/dbraw/zinc/17/64/64/569176464.db2.gz ATFSEDQDHAKMCC-UHFFFAOYSA-N 0 0 438.911 5.317 50 0 IKAARN O=C(Nc1ccccc1Br)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000001116550 569176679 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O=C(CSc1nc(-c2ccccc2)nc2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000002074068 569176970 /nfs/dbraw/zinc/17/69/70/569176970.db2.gz CPYIRUPTPZXBKY-UHFFFAOYSA-N 0 0 447.563 6.754 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@H](C)C2 ZINC000002826692 569177484 /nfs/dbraw/zinc/17/74/84/569177484.db2.gz RAKHQENRHMPBFF-KRWDZBQOSA-N 0 0 446.616 6.313 50 0 IKAARN CC(C)(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000002875602 569177548 /nfs/dbraw/zinc/17/75/48/569177548.db2.gz WGIRBXYZEDVRJJ-UHFFFAOYSA-N 0 0 441.428 5.764 50 0 IKAARN Nc1c2c(nn1Cc1ccccc1)nc(NC1CCCCC1)nc2-c1ccc(F)cc1F ZINC000037359546 569177708 /nfs/dbraw/zinc/17/77/08/569177708.db2.gz UVPVOFLUMRDLDE-UHFFFAOYSA-N 0 0 434.494 5.147 50 0 IKAARN O=C(OCc1ccc2c(c1)occ(Oc1ccccc1F)c2=O)N1CCc2ccccc21 ZINC000003105491 569177709 /nfs/dbraw/zinc/17/77/09/569177709.db2.gz LBRQIAFVFASUJG-UHFFFAOYSA-N 0 0 431.419 5.424 50 0 IKAARN CSc1ccccc1NC(=O)C(Cc1ccccc1)C(=O)Nc1ccccc1SC ZINC000002877698 569177710 /nfs/dbraw/zinc/17/77/10/569177710.db2.gz MSNFEUXQJBPOFU-UHFFFAOYSA-N 0 0 436.602 5.567 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)n2)cc1F ZINC000004010032 569178155 /nfs/dbraw/zinc/17/81/55/569178155.db2.gz XUBOXIBPHUMNJX-HSZRJFAPSA-N 0 0 429.520 6.314 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)n2)cc1F ZINC000004010031 569178224 /nfs/dbraw/zinc/17/82/24/569178224.db2.gz XUBOXIBPHUMNJX-QHCPKHFHSA-N 0 0 429.520 6.314 50 0 IKAARN Cc1cccc(COc2ccccc2/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 ZINC000002084238 569178298 /nfs/dbraw/zinc/17/82/98/569178298.db2.gz LLWPDXCCPYSPBZ-JJIBRWJFSA-N 0 0 425.528 6.216 50 0 IKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000002084085 569178311 /nfs/dbraw/zinc/17/83/11/569178311.db2.gz VGUPCDRVLKIHRL-SRZZPIQSSA-N 0 0 442.273 6.056 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000006925018 569178549 /nfs/dbraw/zinc/17/85/49/569178549.db2.gz ZFVAGRNVSJGZSJ-FYYLOGMGSA-N 0 0 435.321 5.700 50 0 IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000002091652 569178713 /nfs/dbraw/zinc/17/87/13/569178713.db2.gz HJWJNQWJOKZTBP-UHFFFAOYSA-N 0 0 440.282 5.784 50 0 biogenic IKAARN COc1ccc(C(=O)NCC[C@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000002092310 569178779 /nfs/dbraw/zinc/17/87/79/569178779.db2.gz QULLAJKVAWUUEM-XMMPIXPASA-N 0 0 433.548 5.443 50 0 biogenic IKAARN CC(C)CCN1CC(=O)N2[C@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002092637 569178783 /nfs/dbraw/zinc/17/87/83/569178783.db2.gz ZFLYROOQBJFYQF-RPLLCQBOSA-N 0 0 443.591 5.022 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc4ccccc43)c(C)c2oc1=O ZINC000002092315 569178852 /nfs/dbraw/zinc/17/88/52/569178852.db2.gz DAYSIRCVUXTYOQ-UHFFFAOYSA-N 0 0 430.500 5.638 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3Cl)c(C)c2oc1=O ZINC000002094688 569179137 /nfs/dbraw/zinc/17/91/37/569179137.db2.gz RVGDBSISYHEQAD-UHFFFAOYSA-N 0 0 432.875 5.277 50 0 biogenic IKAARN COc1ccc2c(c1)c(C(=O)COc1cc(C)cc3oc(=O)c4c(c13)CCCC4)c(C)n2C ZINC000002095985 569179326 /nfs/dbraw/zinc/17/93/26/569179326.db2.gz GMDVINBCXUWQOL-UHFFFAOYSA-N 0 0 445.515 5.051 50 0 biogenic IKAARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H]2CCCCN(c3ccccc3)C2=O)cc1 ZINC000002097579 569179458 /nfs/dbraw/zinc/17/94/58/569179458.db2.gz LCPKZYWDWZRWST-UIOOFZCWSA-N 0 0 427.544 5.885 50 0 biogenic IKAARN Cc1ccc(-n2c(SC[C@@H]3CCCCO3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002395056 569180109 /nfs/dbraw/zinc/18/01/09/569180109.db2.gz FCPMTWDBBZKLAU-KRWDZBQOSA-N 0 0 426.607 5.296 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000622999 569180308 /nfs/dbraw/zinc/18/03/08/569180308.db2.gz YVKJRZNFJXJRIH-UHFFFAOYSA-N 0 0 434.952 5.242 50 0 IKAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000000638171 569180323 /nfs/dbraw/zinc/18/03/23/569180323.db2.gz DWPXVRNTXHVQOB-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)cc1 ZINC000000688348 569180346 /nfs/dbraw/zinc/18/03/46/569180346.db2.gz QIJQVMLMRVVQNX-UHFFFAOYSA-N 0 0 443.450 5.825 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c(C)c1 ZINC000001476580 569180537 /nfs/dbraw/zinc/18/05/37/569180537.db2.gz OXIDAWWJAKWPHB-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)c3cccc(C)c3n2)cc1 ZINC000002079349 569180586 /nfs/dbraw/zinc/18/05/86/569180586.db2.gz ILEGMPFJEPEIOD-LJQANCHMSA-N 0 0 439.511 5.955 50 0 IKAARN CC[C@@H](OC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc21)C(=O)c1ccccc1 ZINC000002079449 569180667 /nfs/dbraw/zinc/18/06/67/569180667.db2.gz PHWCBSZDDSGQES-HHHXNRCGSA-N 0 0 437.539 6.844 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc21)c1ccc(Cl)cc1 ZINC000002312958 569180670 /nfs/dbraw/zinc/18/06/70/569180670.db2.gz BUMHTYOQVKYZSL-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(Cl)cccc2Cl)n1-c1ccc(Cl)cc1 ZINC000002259290 569180674 /nfs/dbraw/zinc/18/06/74/569180674.db2.gz OLNOZMYFBVFPNB-UHFFFAOYSA-N 0 0 447.774 6.638 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Cl)cc32)cc1 ZINC000002079491 569180679 /nfs/dbraw/zinc/18/06/79/569180679.db2.gz NNMCQRGUAQKHAP-SFHVURJKSA-N 0 0 443.930 6.600 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2c1 ZINC000002079438 569180695 /nfs/dbraw/zinc/18/06/95/569180695.db2.gz FVPRIMZNGXVKDC-KRWDZBQOSA-N 0 0 429.903 6.292 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Cl)cc32)cc1 ZINC000002302990 569180697 /nfs/dbraw/zinc/18/06/97/569180697.db2.gz BDOCQXJDMLFTTL-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000002361584 569180764 /nfs/dbraw/zinc/18/07/64/569180764.db2.gz XYISGVQFIVCQMZ-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cc(Cl)ccc1C)CCCC3 ZINC000002427826 569180769 /nfs/dbraw/zinc/18/07/69/569180769.db2.gz PUSREUVYJVCQOX-UHFFFAOYSA-N 0 0 448.013 5.049 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc3c(c2c1=O)CCCC3 ZINC000002394611 569180770 /nfs/dbraw/zinc/18/07/70/569180770.db2.gz XDFAIGXMKFNUHU-UHFFFAOYSA-N 0 0 449.601 5.241 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nc3ccccc3c2=O)cc1 ZINC000002390683 569180781 /nfs/dbraw/zinc/18/07/81/569180781.db2.gz BGJLWOWWPBVNKM-UHFFFAOYSA-N 0 0 436.920 5.023 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002384641 569180816 /nfs/dbraw/zinc/18/08/16/569180816.db2.gz SRDGDVCALKABHQ-UHFFFAOYSA-N 0 0 441.622 5.013 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CC)cc3)nc3ccc(C)cc32)cc1 ZINC000002578197 569180863 /nfs/dbraw/zinc/18/08/63/569180863.db2.gz LNBNRQDPSPCRPD-UHFFFAOYSA-N 0 0 437.539 6.375 50 0 IKAARN CCc1ccc(-c2cc(C(=O)O[C@H](CC)C(=O)c3ccccc3)c3cccc(C)c3n2)cc1 ZINC000002578211 569180923 /nfs/dbraw/zinc/18/09/23/569180923.db2.gz FEVZJXFZWZZVAP-AREMUKBSSA-N 0 0 437.539 6.591 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002506927 569180960 /nfs/dbraw/zinc/18/09/60/569180960.db2.gz QLXKKARAYLHAJM-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN CCCCCCc1cc2c(cc1O[C@@H](C)C(=O)OCC)occ(-c1nc(C)cs1)c2=O ZINC000002105846 569180984 /nfs/dbraw/zinc/18/09/84/569180984.db2.gz XMITWGLVTFYIQT-INIZCTEOSA-N 0 0 443.565 5.678 50 0 biogenic IKAARN CCCCCCc1cc2c(cc1O[C@H](C)C(=O)OCC)occ(-c1nc(C)cs1)c2=O ZINC000002105847 569181066 /nfs/dbraw/zinc/18/10/66/569181066.db2.gz XMITWGLVTFYIQT-MRXNPFEDSA-N 0 0 443.565 5.678 50 0 biogenic IKAARN COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O ZINC000002107227 569181133 /nfs/dbraw/zinc/18/11/33/569181133.db2.gz HORBLPIYENOYJM-CNXMTQATSA-N 0 0 449.591 5.432 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3F)c2)cc1 ZINC000002107793 569181339 /nfs/dbraw/zinc/18/13/39/569181339.db2.gz SZSTUHWHYNUPBL-UHFFFAOYSA-N 0 0 432.447 5.834 50 0 biogenic IKAARN CC(C)c1ccc(-c2nc(NCc3ccccn3)nc3nn(Cc4ccccc4)c(N)c32)cc1 ZINC000037360899 569181544 /nfs/dbraw/zinc/18/15/44/569181544.db2.gz OECRCMMLVCKYNI-UHFFFAOYSA-N 0 0 449.562 5.254 50 0 IKAARN Nc1c2c(nn1-c1ccccc1Cl)nc(NCC1CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037360967 569181552 /nfs/dbraw/zinc/18/15/52/569181552.db2.gz FDLWSWWMZVVETF-UHFFFAOYSA-N 0 0 443.313 5.333 50 0 IKAARN Cc1ccccc1-c1nc(C(=O)NCc2cccc(Cl)c2)cc2c3ccccc3[nH]c21 ZINC000002113691 569182232 /nfs/dbraw/zinc/18/22/32/569182232.db2.gz PCLCTSDAWRHQSA-UHFFFAOYSA-N 0 0 425.919 6.275 50 0 biogenic IKAARN COc1cccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c4ccccc4[nH]c32)c1 ZINC000002114364 569182310 /nfs/dbraw/zinc/18/23/10/569182310.db2.gz INUUZHUPBISARA-UHFFFAOYSA-N 0 0 435.527 5.754 50 0 biogenic IKAARN CCc1ccccc1N1COc2c(C)c3oc(=O)c(Cc4ccccc4)c(C)c3cc2C1 ZINC000002115645 569182422 /nfs/dbraw/zinc/18/24/22/569182422.db2.gz UYTZKEWSWWZTMU-UHFFFAOYSA-N 0 0 425.528 5.920 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc(Cl)cc3)cc2o1 ZINC000002117169 569182537 /nfs/dbraw/zinc/18/25/37/569182537.db2.gz IWVAXDRVTRCMCP-UHFFFAOYSA-N 0 0 430.843 5.799 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(F)cc2F)CO4)cc1 ZINC000002118366 569182542 /nfs/dbraw/zinc/18/25/42/569182542.db2.gz AAMCPNKYWANYDS-UHFFFAOYSA-N 0 0 435.426 5.412 50 0 biogenic IKAARN CCCCc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000002117156 569182548 /nfs/dbraw/zinc/18/25/48/569182548.db2.gz FQFJOSARMGLZSD-UHFFFAOYSA-N 0 0 439.555 6.391 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(Cl)cc2)CO4)cc1 ZINC000002118913 569182695 /nfs/dbraw/zinc/18/26/95/569182695.db2.gz KUORXVZDAKCJIC-UHFFFAOYSA-N 0 0 433.891 5.787 50 0 biogenic IKAARN COc1cccc(-c2nc(C(=O)NCCc3ccc(F)cc3)cc3c4ccccc4[nH]c32)c1 ZINC000002119922 569182764 /nfs/dbraw/zinc/18/27/64/569182764.db2.gz JOFBICBYVOVRNK-UHFFFAOYSA-N 0 0 439.490 5.503 50 0 biogenic IKAARN CCOc1ccccc1-c1nc(C(=O)NCc2ccc(F)cc2)cc2c3ccccc3[nH]c21 ZINC000002119614 569182858 /nfs/dbraw/zinc/18/28/58/569182858.db2.gz WYIPKPUFRMMDHH-UHFFFAOYSA-N 0 0 439.490 5.851 50 0 biogenic IKAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@]2(C)C1=O ZINC000252426629 569183273 /nfs/dbraw/zinc/18/32/73/569183273.db2.gz HBEHUDJLUBTNBD-UTWBDPIXSA-N 0 0 441.958 6.282 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1OC ZINC000252430777 569183469 /nfs/dbraw/zinc/18/34/69/569183469.db2.gz JNOOFDPCFXLRJZ-ZRBLBEILSA-N 0 0 445.317 6.066 50 0 IKAARN O=C(NCCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CCc2ccccc2)n1 ZINC000002122625 569183542 /nfs/dbraw/zinc/18/35/42/569183542.db2.gz AOMVDASPOTVIQE-UHFFFAOYSA-N 0 0 433.555 5.864 50 0 biogenic IKAARN CCc1ccccc1N1COc2c(C)c3oc(=O)cc(-c4ccc(OC)cc4)c3cc2C1 ZINC000002122875 569183543 /nfs/dbraw/zinc/18/35/43/569183543.db2.gz PCRPMOISHNDZAM-UHFFFAOYSA-N 0 0 427.500 5.696 50 0 biogenic IKAARN CCCOC(=O)c1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000002122798 569183551 /nfs/dbraw/zinc/18/35/51/569183551.db2.gz XPBXQUYHXPYZSD-UHFFFAOYSA-N 0 0 441.483 5.383 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cc(C)cc(C)c2)CO4)cc1 ZINC000002123411 569183669 /nfs/dbraw/zinc/18/36/69/569183669.db2.gz BEWGXGZGGKMZIS-UHFFFAOYSA-N 0 0 427.500 5.750 50 0 biogenic IKAARN COc1ccccc1CNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000002122391 569183696 /nfs/dbraw/zinc/18/36/96/569183696.db2.gz GORIKCCEOSFYQE-UHFFFAOYSA-N 0 0 441.918 5.975 50 0 biogenic IKAARN CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC ZINC000002126837 569184037 /nfs/dbraw/zinc/18/40/37/569184037.db2.gz LRGCDADUFCTAIR-ZCUZSRHZSA-N 0 0 434.580 5.210 50 0 biogenic IKAARN Cc1c(OCc2c(F)cccc2F)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002125809 569184051 /nfs/dbraw/zinc/18/40/51/569184051.db2.gz FMLOXUSUWXFCHX-UHFFFAOYSA-N 0 0 446.405 5.732 50 0 biogenic IKAARN C[C@H](c1nn(CN2CCC[C@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C ZINC000252452866 569184172 /nfs/dbraw/zinc/18/41/72/569184172.db2.gz JIXVFDDGRDNDAW-IERDGZPVSA-N 0 0 443.567 5.099 50 0 IKAARN O=S(=O)(Cc1cccc(F)c1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208006652 569184642 /nfs/dbraw/zinc/18/46/42/569184642.db2.gz LHWFVUNKCKHAIN-UHFFFAOYSA-N 0 0 440.525 5.030 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002130834 569184926 /nfs/dbraw/zinc/18/49/26/569184926.db2.gz ZXXFFUNNRFZIPG-UHFFFAOYSA-N 0 0 439.515 5.732 50 0 biogenic IKAARN O=C(NC1CCCCCCC1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002131030 569185023 /nfs/dbraw/zinc/18/50/23/569185023.db2.gz ARKOISPBGUATRC-UHFFFAOYSA-N 0 0 441.531 5.955 50 0 biogenic IKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)c(OC)c1 ZINC000002134473 569185150 /nfs/dbraw/zinc/18/51/50/569185150.db2.gz UGYXBAYSSOBRDN-OAQYLSRUSA-N 0 0 437.536 5.266 50 0 biogenic IKAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC ZINC000002134858 569185164 /nfs/dbraw/zinc/18/51/64/569185164.db2.gz AMLCWOLXQKHUPA-IDRNJTBQSA-N 0 0 448.607 5.600 50 0 biogenic IKAARN Cc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002138429 569185340 /nfs/dbraw/zinc/18/53/40/569185340.db2.gz PYPDJUZRFIQPGS-UHFFFAOYSA-N 0 0 425.919 6.275 50 0 biogenic IKAARN Cc1cccc(-n2nc3nc(NCCc4ccccc4)nc(-c4ccsc4)c3c2N)c1 ZINC000037375648 569185520 /nfs/dbraw/zinc/18/55/20/569185520.db2.gz LSCFBBOFQIWJRX-UHFFFAOYSA-N 0 0 426.549 5.089 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cc(C)ccc2C)cc1 ZINC000002507723 569185737 /nfs/dbraw/zinc/18/57/37/569185737.db2.gz JPMRPEJPIGJDTE-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(CSc3ccccc3)n2-c2ccccc2)c1 ZINC000002507702 569185768 /nfs/dbraw/zinc/18/57/68/569185768.db2.gz XWWASBXWCGSZIV-UHFFFAOYSA-N 0 0 446.601 5.599 50 0 IKAARN CCc1nc([C@@H](C)NC(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000252477146 569185807 /nfs/dbraw/zinc/18/58/07/569185807.db2.gz IYDKMQODXPBXBZ-WIYYLYMNSA-N 0 0 444.645 5.368 50 0 IKAARN O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1 ZINC000002993745 569185993 /nfs/dbraw/zinc/18/59/93/569185993.db2.gz GEKASGKQHQTLLD-OAQYLSRUSA-N 0 0 433.766 5.743 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(N2CCCC2)nn1 ZINC000208012018 569186134 /nfs/dbraw/zinc/18/61/34/569186134.db2.gz ZTNOJWVFLBTMJV-UHFFFAOYSA-N 0 0 445.523 5.259 50 0 IKAARN c1ccc2nc(-c3ccc(Sc4ccc(-c5cnc6ccccc6n5)cc4)cc3)cnc2c1 ZINC000003122246 569186193 /nfs/dbraw/zinc/18/61/93/569186193.db2.gz IAIKJYKVDXQVPU-UHFFFAOYSA-N 0 0 442.547 7.058 50 0 IKAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000252483138 569186457 /nfs/dbraw/zinc/18/64/57/569186457.db2.gz DVXQKLKKEXAAOH-OAQYLSRUSA-N 0 0 435.959 5.361 50 0 IKAARN COc1cc2c(cc1OC)[C@H]1OC(c3ccccc3)(c3ccccc3)c3ccccc3N1C2=O ZINC000252485584 569186546 /nfs/dbraw/zinc/18/65/46/569186546.db2.gz GZLSOXONZXVVJC-MUUNZHRXSA-N 0 0 449.506 5.685 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C ZINC000027225120 569186550 /nfs/dbraw/zinc/18/65/50/569186550.db2.gz ZBORQEVREPZQPQ-UHFFFAOYSA-N 0 0 438.531 5.110 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)c1 ZINC000252489517 569186752 /nfs/dbraw/zinc/18/67/52/569186752.db2.gz JSIQMRRRHWJARK-UHFFFAOYSA-N 0 0 446.576 5.320 50 0 IKAARN CC(C)c1ccc(C2=N/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 ZINC000002144904 569186829 /nfs/dbraw/zinc/18/68/29/569186829.db2.gz RSZJZMZNJSABBB-UDWIEESQSA-N 0 0 426.299 6.721 50 0 IKAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)ccc12 ZINC000002149320 569187098 /nfs/dbraw/zinc/18/70/98/569187098.db2.gz OKAVNDVGHPARNX-UHFFFAOYSA-N 0 0 433.504 5.206 50 0 biogenic IKAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)ccc12 ZINC000002149711 569187176 /nfs/dbraw/zinc/18/71/76/569187176.db2.gz NFPFYNADWKUSIF-UHFFFAOYSA-N 0 0 433.504 5.124 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002149529 569187221 /nfs/dbraw/zinc/18/72/21/569187221.db2.gz TYUTUABMUHOAQV-QGZVFWFLSA-N 0 0 449.931 5.094 50 0 IKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cccc(C(F)(F)F)c4)c(C)c3cc12 ZINC000002151673 569187275 /nfs/dbraw/zinc/18/72/75/569187275.db2.gz XWYDFDNQNHGRQP-UHFFFAOYSA-N 0 0 429.394 5.746 50 0 biogenic IKAARN Cc1c(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c2ccccc2n1C ZINC000002151739 569187296 /nfs/dbraw/zinc/18/72/96/569187296.db2.gz SUYRDFRWFXWCGY-UHFFFAOYSA-N 0 0 437.495 5.830 50 0 biogenic IKAARN C=Cc1ccc(COc2ccc3c(c2)occ(Oc2ccc(C(=O)OCC)cc2)c3=O)cc1 ZINC000002152883 569187445 /nfs/dbraw/zinc/18/74/45/569187445.db2.gz RYWPHFHPDDCDJV-UHFFFAOYSA-N 0 0 442.467 5.984 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)ccc12 ZINC000002152224 569187464 /nfs/dbraw/zinc/18/74/64/569187464.db2.gz KJUSTRHDBMXCMG-UHFFFAOYSA-N 0 0 447.531 5.514 50 0 biogenic IKAARN COc1ccc(-c2c(C)oc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1OC ZINC000002156116 569187574 /nfs/dbraw/zinc/18/75/74/569187574.db2.gz ZWOPBCRGLPKJRD-UHFFFAOYSA-N 0 0 430.500 5.981 50 0 IKAARN Fc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000008407165 569187687 /nfs/dbraw/zinc/18/76/87/569187687.db2.gz IKQKQVBVJPUXQY-HXUWFJFHSA-N 0 0 439.968 7.020 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3c(C)cccc3C(C)C)CO2)cc1 ZINC000002158756 569187729 /nfs/dbraw/zinc/18/77/29/569187729.db2.gz UTVOHMGHDCPCDM-UHFFFAOYSA-N 0 0 441.527 6.257 50 0 biogenic IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1 ZINC000002157609 569187740 /nfs/dbraw/zinc/18/77/40/569187740.db2.gz KFHDEYXDVYARNN-UHFFFAOYSA-N 0 0 446.455 5.350 50 0 biogenic IKAARN CCc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 ZINC000252492767 569187811 /nfs/dbraw/zinc/18/78/11/569187811.db2.gz MVSDSPVMTILXGX-UHFFFAOYSA-N 0 0 444.560 5.020 50 0 IKAARN CCOc1ccc2nc(SCC(=O)NCCc3c(C)[nH]c4ccc(C)cc43)sc2c1 ZINC000252494344 569187832 /nfs/dbraw/zinc/18/78/32/569187832.db2.gz NSOTUCQMMGWTNI-UHFFFAOYSA-N 0 0 439.606 5.244 50 0 IKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)cc1C)CO3 ZINC000002160178 569187853 /nfs/dbraw/zinc/18/78/53/569187853.db2.gz ZCSZEPPCYYQTHZ-UHFFFAOYSA-N 0 0 428.326 5.481 50 0 biogenic IKAARN Oc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000252495785 569187992 /nfs/dbraw/zinc/18/79/92/569187992.db2.gz PAANCYJCMCBQRO-NDEPHWFRSA-N 0 0 445.522 6.215 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000025869107 569189163 /nfs/dbraw/zinc/18/91/63/569189163.db2.gz CLYQQYXUKPFUSX-LADGPHEKSA-N 0 0 449.348 6.008 50 0 IKAARN C/C(=C/c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000208305817 569189464 /nfs/dbraw/zinc/18/94/64/569189464.db2.gz LAUIHJGMLITEMF-RFIRZFHUSA-N 0 0 444.962 5.809 50 0 IKAARN C/C(=C/c1ccccc1)[C@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000208306023 569189479 /nfs/dbraw/zinc/18/94/79/569189479.db2.gz XUQMYZBMXKTZAA-OBMGYITPSA-N 0 0 444.962 5.809 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000252527491 569189562 /nfs/dbraw/zinc/18/95/62/569189562.db2.gz CRDZHNRMTWVSBC-UHFFFAOYSA-N 0 0 448.567 5.176 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000252536736 569190034 /nfs/dbraw/zinc/19/00/34/569190034.db2.gz JKHBPJHVYOHXOT-HXUWFJFHSA-N 0 0 444.535 6.070 50 0 IKAARN CCCCCN(CCCCC)C1=N/C(=C/c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000002179709 569190255 /nfs/dbraw/zinc/19/02/55/569190255.db2.gz RFFPEWJSLZLZIC-LYBHJNIJSA-N 0 0 438.015 6.766 50 0 IKAARN COc1ccccc1OCCOc1ccc(Cl)cc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000002180107 569190283 /nfs/dbraw/zinc/19/02/83/569190283.db2.gz ATJSNIMGDIFDRD-CAPFRKAQSA-N 0 0 449.890 5.151 50 0 IKAARN CCCCCCc1cc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2cc1O ZINC000002181936 569190369 /nfs/dbraw/zinc/19/03/69/569190369.db2.gz NCQXBPRUJUYUEL-UHFFFAOYSA-N 0 0 444.325 5.636 50 0 IKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C)C3)c1 ZINC000002185820 569190407 /nfs/dbraw/zinc/19/04/07/569190407.db2.gz OCNHZTDMDZVQNY-OAHLLOKOSA-N 0 0 438.980 6.339 50 0 IKAARN O=C1[C@@H](C(OCc2ccccc2)=C(F)F)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000002184346 569190444 /nfs/dbraw/zinc/19/04/44/569190444.db2.gz IDIIHBWOYSCLKB-RTWAWAEBSA-N 0 0 425.862 6.369 50 0 IKAARN C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000002192033 569190522 /nfs/dbraw/zinc/19/05/22/569190522.db2.gz UMRVECAFIJRRQV-LLVKDONJSA-N 0 0 446.306 6.038 50 0 IKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C)C3)cc1 ZINC000002185825 569190534 /nfs/dbraw/zinc/19/05/34/569190534.db2.gz KAVDOYAAMZVFRE-HNNXBMFYSA-N 0 0 438.980 6.339 50 0 IKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000002191535 569190545 /nfs/dbraw/zinc/19/05/45/569190545.db2.gz BBKUBGNHNAQHNO-IBGZPJMESA-N 0 0 442.650 5.742 50 0 IKAARN O=C(COC(=O)c1cccc(N2Cc3ccccc3C2)c1)c1ccc(-c2ccccc2)cc1 ZINC000002186915 569190553 /nfs/dbraw/zinc/19/05/53/569190553.db2.gz IZGRBCJMPGBTPG-UHFFFAOYSA-N 0 0 433.507 5.914 50 0 IKAARN CC1(C)O[C@@H](C(Cl)(Cl)Cl)Nc2c(Br)cc(Br)cc21 ZINC000002191660 569190664 /nfs/dbraw/zinc/19/06/64/569190664.db2.gz ICIIGTCYGXQHQW-VIFPVBQESA-N 0 0 438.374 5.585 50 0 IKAARN NC1=C(c2ccccc2)S(=O)(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3)c21 ZINC000002192428 569190780 /nfs/dbraw/zinc/19/07/80/569190780.db2.gz RAGCKOAPKIMICZ-UHFFFAOYSA-N 0 0 441.508 5.843 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(Cl)ccc2Cl)cc1 ZINC000002193926 569190800 /nfs/dbraw/zinc/19/08/00/569190800.db2.gz MEYSKQFSWHCHCQ-UHFFFAOYSA-N 0 0 441.314 5.458 50 0 IKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccc(F)cc2Cl)n1C1CC1 ZINC000252550409 569190872 /nfs/dbraw/zinc/19/08/72/569190872.db2.gz SONTWWISSGQRLG-UHFFFAOYSA-N 0 0 425.916 5.811 50 0 IKAARN CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Cl ZINC000027348232 569191358 /nfs/dbraw/zinc/19/13/58/569191358.db2.gz YOYXVXHAYFSKBT-LJQANCHMSA-N 0 0 432.351 5.000 50 0 IKAARN Cc1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000002199383 569191475 /nfs/dbraw/zinc/19/14/75/569191475.db2.gz OAXIXXHNYBEWKY-UHFFFAOYSA-N 0 0 439.280 6.249 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1nc2ccc(F)cc2s1 ZINC000002197767 569191522 /nfs/dbraw/zinc/19/15/22/569191522.db2.gz DIJROBBWRNGMJJ-FQEVSTJZSA-N 0 0 428.444 5.292 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@H]2c2ccccc2)cc1 ZINC000002200048 569191558 /nfs/dbraw/zinc/19/15/58/569191558.db2.gz BGDBEKLMQTUJOF-XMMPIXPASA-N 0 0 439.511 5.206 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCCCC1 ZINC000037380417 569191633 /nfs/dbraw/zinc/19/16/33/569191633.db2.gz KWFIZFBJYWPTPC-UHFFFAOYSA-N 0 0 437.506 5.895 50 0 IKAARN CC(C)CNC(=O)CCN(Cc1ccccc1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000037382499 569191871 /nfs/dbraw/zinc/19/18/71/569191871.db2.gz LJZGHTCFQVRSOE-UHFFFAOYSA-N 0 0 438.575 5.466 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3c(N3CCN(C(=O)c4cccs4)CC3)n2)cc1 ZINC000037381410 569191894 /nfs/dbraw/zinc/19/18/94/569191894.db2.gz KZQVXZQNYULAJR-UHFFFAOYSA-N 0 0 448.979 5.283 50 0 IKAARN O=C(CCN(c1nc(-c2cccs2)nc2ccccc21)C1CCCCC1)N1CCCC1 ZINC000037383638 569191953 /nfs/dbraw/zinc/19/19/53/569191953.db2.gz SAISNNXNCMHBJW-UHFFFAOYSA-N 0 0 434.609 5.510 50 0 IKAARN CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000037380953 569192001 /nfs/dbraw/zinc/19/20/01/569192001.db2.gz NBBQITNRPCEBPC-GOSISDBHSA-N 0 0 431.458 5.592 50 0 IKAARN CC(C)CN(CCC(=O)NCc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383451 569192027 /nfs/dbraw/zinc/19/20/27/569192027.db2.gz QNOITHOCOQTUEZ-UHFFFAOYSA-N 0 0 428.536 5.059 50 0 IKAARN COc1ccc(NC(=O)CCN(Cc2ccco2)c2nc(C3CC3)nc3ccccc32)cc1 ZINC000037383571 569192028 /nfs/dbraw/zinc/19/20/28/569192028.db2.gz IOHFKDCOOIZQJE-UHFFFAOYSA-N 0 0 442.519 5.144 50 0 IKAARN CCCN(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037384426 569192074 /nfs/dbraw/zinc/19/20/74/569192074.db2.gz NROSTWDESBDWIZ-IBGZPJMESA-N 0 0 428.536 5.374 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NCc2ccco2)Cc2ccccc2)n1 ZINC000037384249 569192091 /nfs/dbraw/zinc/19/20/91/569192091.db2.gz BDQHLNXCZCBUJS-UHFFFAOYSA-N 0 0 448.954 5.152 50 0 IKAARN CCCN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384533 569192114 /nfs/dbraw/zinc/19/21/14/569192114.db2.gz WFXYRBKUEZKKKR-LJQANCHMSA-N 0 0 444.604 5.842 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)Nc2ccccc2)Cc2ccccc2)n1 ZINC000037384369 569192122 /nfs/dbraw/zinc/19/21/22/569192122.db2.gz KOZQBCWNSMGOBX-UHFFFAOYSA-N 0 0 444.966 5.881 50 0 IKAARN O=C(CCN(c1nc(-c2cccs2)nc2ccccc21)C1CC1)NCc1ccccc1 ZINC000037384641 569192149 /nfs/dbraw/zinc/19/21/49/569192149.db2.gz YVRJELZRJXPSSC-UHFFFAOYSA-N 0 0 428.561 5.034 50 0 IKAARN CC(C)CNC(=O)CCN(Cc1ccccc1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384516 569192152 /nfs/dbraw/zinc/19/21/52/569192152.db2.gz WWVOORDFTFOJBV-UHFFFAOYSA-N 0 0 444.604 5.527 50 0 IKAARN CCc1nc2ccccc2c(N(CCC(=O)N[C@H](C)c2ccccc2)Cc2ccccc2)n1 ZINC000037384858 569192241 /nfs/dbraw/zinc/19/22/41/569192241.db2.gz PHEXHJMPMVHWLU-OAQYLSRUSA-N 0 0 438.575 5.466 50 0 IKAARN O=C(CCN(CCc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21)N1CCCC1 ZINC000037384685 569192255 /nfs/dbraw/zinc/19/22/55/569192255.db2.gz FOZCQAOMLIJJFF-UHFFFAOYSA-N 0 0 448.998 5.222 50 0 IKAARN CC(C)NC(=O)CCN(CCc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000037384752 569192285 /nfs/dbraw/zinc/19/22/85/569192285.db2.gz IRFDPMHYCPFHJX-UHFFFAOYSA-N 0 0 436.987 5.124 50 0 IKAARN COc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000037385186 569192363 /nfs/dbraw/zinc/19/23/63/569192363.db2.gz UYAMEUVNSUXVHJ-UHFFFAOYSA-N 0 0 433.339 5.624 50 0 IKAARN CCC(=O)Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2ccc(OC)cc2)cc1 ZINC000037385169 569192386 /nfs/dbraw/zinc/19/23/86/569192386.db2.gz JIFFSRJMZBGFRW-UHFFFAOYSA-N 0 0 446.482 5.010 50 0 IKAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)o1 ZINC000002200520 569192387 /nfs/dbraw/zinc/19/23/87/569192387.db2.gz VSORMYANUPOQHR-LJQANCHMSA-N 0 0 432.432 5.193 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4ccc(CC(C)C)cc4)cs3)c(=O)oc2c1 ZINC000002201309 569192548 /nfs/dbraw/zinc/19/25/48/569192548.db2.gz UWOWWXGKAFZHFP-UHFFFAOYSA-N 0 0 432.589 6.628 50 0 IKAARN CC[C@@H](C)c1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002203681 569192781 /nfs/dbraw/zinc/19/27/81/569192781.db2.gz AJJKJLAORYJBQY-HXUWFJFHSA-N 0 0 442.559 6.055 50 0 IKAARN CCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000037396977 569192965 /nfs/dbraw/zinc/19/29/65/569192965.db2.gz XUWZVOKQVZCOJN-UHFFFAOYSA-N 0 0 442.519 5.292 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C(=O)NC3CC3)c3ccccc3)c2cc1C ZINC000037396691 569192980 /nfs/dbraw/zinc/19/29/80/569192980.db2.gz ZBDZFVNHLHVUGO-SANMLTNESA-N 0 0 427.523 5.251 50 0 IKAARN CCc1c(C)c(C(=O)NCCc2ccc(OC)c(OC)c2)n(Cc2ccccc2C)c1C ZINC000037397118 569193078 /nfs/dbraw/zinc/19/30/78/569193078.db2.gz ZJGCKCMUAUAUNS-UHFFFAOYSA-N 0 0 434.580 5.014 50 0 IKAARN CCc1c(C)c(C(=O)NCCc2ccc(OC)c(OC)c2)n(Cc2ccc(C)cc2)c1C ZINC000037396738 569193086 /nfs/dbraw/zinc/19/30/86/569193086.db2.gz GHAFDSDDSFEAHL-UHFFFAOYSA-N 0 0 434.580 5.014 50 0 IKAARN CCC[C@H](C(=O)N1CCOCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037397130 569193103 /nfs/dbraw/zinc/19/31/03/569193103.db2.gz AMQJONHQXNOKDZ-OAQYLSRUSA-N 0 0 446.378 5.134 50 0 IKAARN CCC[C@@H](C(=O)N1CCCC1)n1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037397187 569193165 /nfs/dbraw/zinc/19/31/65/569193165.db2.gz WRHOKZXSMWLJJU-NRFANRHFSA-N 0 0 430.379 5.898 50 0 IKAARN Cc1c2c(n(Cc3cccc(F)c3)c1C(=O)NCc1cccc(C(F)(F)F)c1)CCCC2 ZINC000037397197 569193185 /nfs/dbraw/zinc/19/31/85/569193185.db2.gz YFGFHUMPZRQCCJ-UHFFFAOYSA-N 0 0 444.472 5.812 50 0 IKAARN Cc1c(OC(=O)c2ccccc2Cl)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 ZINC000002205227 569193196 /nfs/dbraw/zinc/19/31/96/569193196.db2.gz KUVIQGUMBURERF-UHFFFAOYSA-N 0 0 447.899 6.251 50 0 IKAARN O=C(CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)NCc1ccccn1 ZINC000037397390 569193274 /nfs/dbraw/zinc/19/32/74/569193274.db2.gz KXTBWKPDLUZLKC-UHFFFAOYSA-N 0 0 439.346 5.035 50 0 IKAARN Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2O)n1 ZINC000002206128 569193415 /nfs/dbraw/zinc/19/34/15/569193415.db2.gz CMRDAROLMITUHS-UHFFFAOYSA-N 0 0 438.314 5.984 50 0 IKAARN CN(C(=O)Oc1c(Br)cc(Br)c2cccnc21)c1ccccc1 ZINC000002207411 569193598 /nfs/dbraw/zinc/19/35/98/569193598.db2.gz GZTPUSMEOWSNBI-UHFFFAOYSA-N 0 0 436.103 5.395 50 0 IKAARN O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)NCc1ccc(F)cc1 ZINC000037397562 569193624 /nfs/dbraw/zinc/19/36/24/569193624.db2.gz KICBRSFDMCXTJE-UHFFFAOYSA-N 0 0 442.321 5.389 50 0 IKAARN CCc1ccccc1OCCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000002207703 569193667 /nfs/dbraw/zinc/19/36/67/569193667.db2.gz RFLARSMLEXVQRC-UHFFFAOYSA-N 0 0 446.978 6.529 50 0 IKAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002207609 569193675 /nfs/dbraw/zinc/19/36/75/569193675.db2.gz DZPBDMXGLOBEDH-NEEKEDPPSA-N 0 0 436.536 6.592 50 0 IKAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 ZINC000002208137 569193753 /nfs/dbraw/zinc/19/37/53/569193753.db2.gz ZXOGFGJSYIHUSI-UHFFFAOYSA-N 0 0 447.968 7.388 50 0 IKAARN Brc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 ZINC000002207987 569193862 /nfs/dbraw/zinc/19/38/62/569193862.db2.gz KICCANIRBNIKHG-UHFFFAOYSA-N 0 0 431.337 5.589 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(F)cc1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037398580 569193978 /nfs/dbraw/zinc/19/39/78/569193978.db2.gz CFPDONHSRRLTGW-QFIPXVFZSA-N 0 0 435.930 5.687 50 0 IKAARN Cc1cc2nc(Cc3ccccc3Cl)n(CC(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037398020 569193987 /nfs/dbraw/zinc/19/39/87/569193987.db2.gz OBLBSHFWGYDKDY-UHFFFAOYSA-N 0 0 435.930 5.353 50 0 IKAARN COc1cc(OC)cc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)c1 ZINC000002209959 569194093 /nfs/dbraw/zinc/19/40/93/569194093.db2.gz FXURMMQKMPJSPM-UHFFFAOYSA-N 0 0 438.531 5.950 50 0 IKAARN C[C@H](CNC(=O)/C=C\c1ccc(C(C)(C)C)cc1)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000252606613 569194521 /nfs/dbraw/zinc/19/45/21/569194521.db2.gz GTTTUPHLIOHOKJ-JWSWSGLLSA-N 0 0 446.635 5.629 50 0 IKAARN CC(C)CC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000037422407 569195579 /nfs/dbraw/zinc/19/55/79/569195579.db2.gz BONUEYQYODPGTB-UHFFFAOYSA-N 0 0 441.952 5.030 50 0 IKAARN Cc1ccc(NC(=O)CCC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1C ZINC000037426038 569195757 /nfs/dbraw/zinc/19/57/57/569195757.db2.gz DWBASBDMADVQNZ-RUZDIDTESA-N 0 0 435.955 5.109 50 0 IKAARN Cc1ccc(NC(=O)CCC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000037426037 569195768 /nfs/dbraw/zinc/19/57/68/569195768.db2.gz DWBASBDMADVQNZ-VWLOTQADSA-N 0 0 435.955 5.109 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3Cl)oc2c1 ZINC000037426017 569195815 /nfs/dbraw/zinc/19/58/15/569195815.db2.gz KMZDVDYNKWDKSK-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN CC[C@@H](C(=O)N1CCCC1)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1OC ZINC000037439426 569196345 /nfs/dbraw/zinc/19/63/45/569196345.db2.gz KRNWPSCQGFIURX-NRFANRHFSA-N 0 0 435.593 5.666 50 0 IKAARN CC[C@@H](C(=O)NC1CC1)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 ZINC000037438502 569196346 /nfs/dbraw/zinc/19/63/46/569196346.db2.gz HKSAXGSZSZVAIF-FQEVSTJZSA-N 0 0 429.948 5.798 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCC3)C2)cc1 ZINC000037439131 569196352 /nfs/dbraw/zinc/19/63/52/569196352.db2.gz YYRAIAQPAGDOBX-NRFANRHFSA-N 0 0 430.470 5.336 50 0 IKAARN Cc1cccc(N(c2nc(-c3ccc(Cl)cc3)cs2)[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000037438452 569196380 /nfs/dbraw/zinc/19/63/80/569196380.db2.gz MMUPYPPMUHRWKJ-KRWDZBQOSA-N 0 0 441.984 5.157 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439165 569196396 /nfs/dbraw/zinc/19/63/96/569196396.db2.gz DGUKFWCXTJLVCG-IBGZPJMESA-N 0 0 449.353 5.845 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037439696 569196493 /nfs/dbraw/zinc/19/64/93/569196493.db2.gz YXHQAQCBGWNZKU-QFIPXVFZSA-N 0 0 440.877 5.454 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)CC(C)C)C2)cc1 ZINC000037439569 569196519 /nfs/dbraw/zinc/19/65/19/569196519.db2.gz LRRBXADVTLCADF-OAQYLSRUSA-N 0 0 432.486 5.582 50 0 IKAARN O=C(C1CCC1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440151 569196529 /nfs/dbraw/zinc/19/65/29/569196529.db2.gz QILCUKYUSNKCLV-SFHVURJKSA-N 0 0 435.326 5.454 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440123 569196533 /nfs/dbraw/zinc/19/65/33/569196533.db2.gz WNTRCHCGMTZMKZ-IBGZPJMESA-N 0 0 431.363 5.705 50 0 IKAARN O=C(C1CC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440479 569196568 /nfs/dbraw/zinc/19/65/68/569196568.db2.gz QRVYYNHEYVCHOC-LJQANCHMSA-N 0 0 436.861 5.291 50 0 IKAARN O=C(c1cccs1)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440496 569196574 /nfs/dbraw/zinc/19/65/74/569196574.db2.gz OXRNMLPFFBSBAX-GOSISDBHSA-N 0 0 445.371 5.891 50 0 IKAARN CC[C@H](C(=O)NC1CC1)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037440311 569196595 /nfs/dbraw/zinc/19/65/95/569196595.db2.gz WIHKNOSVJZJEMD-OAQYLSRUSA-N 0 0 425.529 5.153 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440545 569196649 /nfs/dbraw/zinc/19/66/49/569196649.db2.gz WYZHDUBAFWERSY-GOSISDBHSA-N 0 0 432.898 5.330 50 0 IKAARN CCNC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037441319 569196688 /nfs/dbraw/zinc/19/66/88/569196688.db2.gz OIXAMPCUSQSENI-MRXNPFEDSA-N 0 0 440.758 5.372 50 0 IKAARN CC(C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440947 569196719 /nfs/dbraw/zinc/19/67/19/569196719.db2.gz FLVCQTOMIHOXBP-HXUWFJFHSA-N 0 0 436.449 5.412 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441621 569196795 /nfs/dbraw/zinc/19/67/95/569196795.db2.gz XCPCAWYJIDOXOE-JOCHJYFZSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(C1CC1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037441510 569196807 /nfs/dbraw/zinc/19/68/07/569196807.db2.gz CODXDCBTJCQCAM-QGZVFWFLSA-N 0 0 436.861 5.291 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441569 569196829 /nfs/dbraw/zinc/19/68/29/569196829.db2.gz PRLDOHYLEQMITR-QFIPXVFZSA-N 0 0 440.877 5.454 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C2CCCC2)C1 ZINC000037441393 569196864 /nfs/dbraw/zinc/19/68/64/569196864.db2.gz CAFQBIIPPLKWRZ-OAQYLSRUSA-N 0 0 444.497 5.726 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000037441739 569196901 /nfs/dbraw/zinc/19/69/01/569196901.db2.gz ADZVIIFBAKTPPG-QFIPXVFZSA-N 0 0 447.510 5.370 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441985 569196920 /nfs/dbraw/zinc/19/69/20/569196920.db2.gz JEBZYJZYUIAZET-GOSISDBHSA-N 0 0 446.906 5.515 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441965 569196939 /nfs/dbraw/zinc/19/69/39/569196939.db2.gz NLOKJQMXMILONO-HXUWFJFHSA-N 0 0 433.379 5.951 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441979 569196945 /nfs/dbraw/zinc/19/69/45/569196945.db2.gz RXKODJCKOYBELG-JOCHJYFZSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441926 569196984 /nfs/dbraw/zinc/19/69/84/569196984.db2.gz XVENGSJCVFOLFG-NRFANRHFSA-N 0 0 440.877 5.454 50 0 IKAARN CC(C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000037442541 569197022 /nfs/dbraw/zinc/19/70/22/569197022.db2.gz JKAWFAGVEKZGQP-UHFFFAOYSA-N 0 0 444.019 5.832 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)C)C1 ZINC000037442110 569197042 /nfs/dbraw/zinc/19/70/42/569197042.db2.gz OQMLXDXWBGRHRP-LJQANCHMSA-N 0 0 433.474 5.127 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037442341 569197086 /nfs/dbraw/zinc/19/70/86/569197086.db2.gz AKNGODNUUCCFFZ-NRFANRHFSA-N 0 0 433.483 5.062 50 0 IKAARN FC(F)(F)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cccc(Cl)c2)n1 ZINC000037509861 569197924 /nfs/dbraw/zinc/19/79/24/569197924.db2.gz JMJQSFWKDOKTKT-UHFFFAOYSA-N 0 0 440.830 5.962 50 0 IKAARN COc1cc(C)ccc1Oc1cc(C(C)(C)C)nc(SCc2cccc(Cl)c2)n1 ZINC000037509809 569197967 /nfs/dbraw/zinc/19/79/67/569197967.db2.gz MKOHMHCVMYWCAL-UHFFFAOYSA-N 0 0 428.985 6.829 50 0 IKAARN FC(F)(F)c1cccc([C@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)c1 ZINC000037522453 569198253 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O=C(NCc1ccccc1F)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037542577 569199451 /nfs/dbraw/zinc/19/94/51/569199451.db2.gz FTXPTUBHQWXSEF-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2Cc2cccc(C)c2)s1 ZINC000037542478 569199462 /nfs/dbraw/zinc/19/94/62/569199462.db2.gz KQXHHXYLJITOEU-UHFFFAOYSA-N 0 0 442.506 6.317 50 0 IKAARN Cc1cc2c(cc(C(=O)NCCc3ccccn3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037542989 569199468 /nfs/dbraw/zinc/19/94/68/569199468.db2.gz CNNHAEIUHUCARO-UHFFFAOYSA-N 0 0 431.605 5.725 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)c1)c1cccs1 ZINC000037543427 569199512 /nfs/dbraw/zinc/19/95/12/569199512.db2.gz GYCOAUAQBYTGBA-UHFFFAOYSA-N 0 0 427.476 5.111 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(NC(=O)c4ccccc4Cl)c3)C2=O)c1 ZINC000037543856 569199527 /nfs/dbraw/zinc/19/95/27/569199527.db2.gz BXGMIJZZRNBSRQ-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN O=C(c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1)N1CCCC1 ZINC000037543725 569199533 /nfs/dbraw/zinc/19/95/33/569199533.db2.gz 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O=C(NCc1ccccc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002227941 569211333 /nfs/dbraw/zinc/21/13/33/569211333.db2.gz WOJJERBNUDMKTD-TZMCWYRMSA-N 0 0 440.878 5.188 50 0 IKAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 ZINC000002235664 569212123 /nfs/dbraw/zinc/21/21/23/569212123.db2.gz CLGLRAMGFYOUMS-UHFFFAOYSA-N 0 0 433.891 5.610 50 0 IKAARN COc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002693538 569212638 /nfs/dbraw/zinc/21/26/38/569212638.db2.gz WFSWQRBTOBDESN-UHFFFAOYSA-N 0 0 445.540 5.232 50 0 IKAARN O=S(=O)(c1nc(-c2ccccc2)oc1SCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000002721622 569212689 /nfs/dbraw/zinc/21/26/89/569212689.db2.gz AENLWGDPOSFLCS-UHFFFAOYSA-N 0 0 443.496 5.745 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(C)c1 ZINC000002722479 569212701 /nfs/dbraw/zinc/21/27/01/569212701.db2.gz GNNXXEGRJAABGG-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)COc2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000002718624 569212740 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/nfs/dbraw/zinc/21/41/88/569214188.db2.gz WCEQNSICQJDRBO-UHFFFAOYSA-N 0 0 429.563 5.578 50 0 IKAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000002246490 569214366 /nfs/dbraw/zinc/21/43/66/569214366.db2.gz ACSNALGVCSBTNO-SFTDATJTSA-N 0 0 436.899 5.345 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)NCc3ccccc3Cl)c3nc4ccccc4nc32)c1 ZINC000002245784 569214411 /nfs/dbraw/zinc/21/44/11/569214411.db2.gz HQPAOPODNSMMAC-UHFFFAOYSA-N 0 0 441.922 5.048 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)c3ccccc3)cc2oc1C(F)(F)F ZINC000002247291 569214646 /nfs/dbraw/zinc/21/46/46/569214646.db2.gz JNSJPFYVUOUDOF-UHFFFAOYSA-N 0 0 440.373 5.707 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3N2)cc1 ZINC000002248299 569214677 /nfs/dbraw/zinc/21/46/77/569214677.db2.gz IFCHWHTZJQKMSQ-HOCLYGCPSA-N 0 0 435.837 5.153 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(OCCC(C)C)c4)cc3)sc2c1 ZINC000002248702 569214714 /nfs/dbraw/zinc/21/47/14/569214714.db2.gz REJQADSKUYRAJR-UHFFFAOYSA-N 0 0 430.573 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569215311 /nfs/dbraw/zinc/21/53/11/569215311.db2.gz MGOLEUARBKVJGG-LEWJYISDSA-N 0 0 448.548 5.761 50 0 IKAARN COc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1Cl ZINC000002257594 569215358 /nfs/dbraw/zinc/21/53/58/569215358.db2.gz PNLMIOWPYYFNGE-UHFFFAOYSA-N 0 0 438.915 5.021 50 0 IKAARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=N2)c2ccccc2O[C@H]1c1ccccc1 ZINC000002257986 569215361 /nfs/dbraw/zinc/21/53/61/569215361.db2.gz SPDSPJFXXCHCNO-RTWAWAEBSA-N 0 0 430.558 5.621 50 0 IKAARN Cc1nn(-c2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c(C)c1Cc1ccccc1 ZINC000002258894 569215452 /nfs/dbraw/zinc/21/54/52/569215452.db2.gz SUBNNAWINNCSTL-UHFFFAOYSA-N 0 0 444.542 5.421 50 0 IKAARN O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc(Cl)c1 ZINC000002259324 569215478 /nfs/dbraw/zinc/21/54/78/569215478.db2.gz MCWKZDPQLWHJTE-UHFFFAOYSA-N 0 0 438.314 5.399 50 0 IKAARN C[C@@H]1CCc2sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c3c2C1 ZINC000002259047 569215494 /nfs/dbraw/zinc/21/54/94/569215494.db2.gz GQAJGFFCPQKMRD-QGZVFWFLSA-N 0 0 432.614 5.923 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3cccc(C)c3n2)cc1 ZINC000002258207 569215499 /nfs/dbraw/zinc/21/54/99/569215499.db2.gz IQQPJGOFKAEDQZ-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C(C)C)cc3)n2)cc1Br ZINC000002259195 569215513 /nfs/dbraw/zinc/21/55/13/569215513.db2.gz YNADUFQLEPOEBZ-UHFFFAOYSA-N 0 0 431.355 5.957 50 0 IKAARN O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1C1CCCCC1)CCC3 ZINC000002260889 569215706 /nfs/dbraw/zinc/21/57/06/569215706.db2.gz NGZLCMYENDUGRA-UHFFFAOYSA-N 0 0 426.607 5.623 50 0 IKAARN O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 ZINC000002260322 569215721 /nfs/dbraw/zinc/21/57/21/569215721.db2.gz UNUYGHPCBYCCNB-UHFFFAOYSA-N 0 0 438.314 5.399 50 0 IKAARN COc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000002261961 569215808 /nfs/dbraw/zinc/21/58/08/569215808.db2.gz IICATJCBHIHZSA-UHFFFAOYSA-N 0 0 449.290 5.173 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000027496832 569215841 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IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000027499885 569216424 /nfs/dbraw/zinc/21/64/24/569216424.db2.gz XJEYURIJFGYQBH-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C ZINC000027499920 569216526 /nfs/dbraw/zinc/21/65/26/569216526.db2.gz VHLRYGKIMMNACB-UHFFFAOYSA-N 0 0 442.902 6.871 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(N3CCC(Cc4ccccc4)CC3)n2)c(Cl)c1 ZINC000002269555 569216582 /nfs/dbraw/zinc/21/65/82/569216582.db2.gz UQDBEYQFPXKQLD-UHFFFAOYSA-N 0 0 448.397 7.063 50 0 IKAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000002253652 569216616 /nfs/dbraw/zinc/21/66/16/569216616.db2.gz NNKAQICNXCFGLC-UHFFFAOYSA-N 0 0 444.494 6.437 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1 ZINC000002253899 569216711 /nfs/dbraw/zinc/21/67/11/569216711.db2.gz KJJGAPLRHHPJEO-UHFFFAOYSA-N 0 0 426.951 6.646 50 0 IKAARN CCCn1c(=O)c2c(nc1SCCc1ccccc1)-c1ccccc1CC21CCCC1 ZINC000002253986 569216721 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O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000011617474 569217256 /nfs/dbraw/zinc/21/72/56/569217256.db2.gz FSUPUYUPUASZAZ-UHFFFAOYSA-N 0 0 436.920 6.273 50 0 IKAARN Clc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c(Cl)c1 ZINC000002270070 569217285 /nfs/dbraw/zinc/21/72/85/569217285.db2.gz DMHHZAGBNUUFST-UHFFFAOYSA-N 0 0 435.141 7.654 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002270017 569217286 /nfs/dbraw/zinc/21/72/86/569217286.db2.gz SKDZQGKPLLXMNR-RCCKNPSSSA-N 0 0 438.980 6.109 50 0 IKAARN CC1(C)Cc2c(sc3nc(SC(c4ccccc4)c4ccccc4)nc(N)c23)CO1 ZINC000002271551 569217575 /nfs/dbraw/zinc/21/75/75/569217575.db2.gz SGAUBEMGKIJVBV-UHFFFAOYSA-N 0 0 433.602 6.007 50 0 IKAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002275902 569217874 /nfs/dbraw/zinc/21/78/74/569217874.db2.gz ZPVNOVLAHWLDLQ-AWEZNQCLSA-N 0 0 438.622 5.358 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)cc1 ZINC000027519541 569218107 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O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000027521279 569218479 /nfs/dbraw/zinc/21/84/79/569218479.db2.gz ALFCPODFJANBNV-UHFFFAOYSA-N 0 0 444.712 5.351 50 0 IKAARN CCOC(=O)c1cc(=O)c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2o1 ZINC000001043164 569256509 /nfs/dbraw/zinc/25/65/09/569256509.db2.gz OUUGWNCDQHIXKK-UHFFFAOYSA-N 0 0 428.849 5.057 50 0 IKAARN CC#C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000008681718 569256594 /nfs/dbraw/zinc/25/65/94/569256594.db2.gz VKHAHZOOUSRJNA-XPNLVJAHSA-N 0 0 429.604 5.407 50 0 in-man IKAARN 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 ZINC000015449337 569256731 /nfs/dbraw/zinc/25/67/31/569256731.db2.gz AHBKIEXBQNRDNL-OMSQBFNRSA-N 0 0 448.603 5.744 50 0 IKAARN 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 ZINC000015449334 569256734 /nfs/dbraw/zinc/25/67/34/569256734.db2.gz AHBKIEXBQNRDNL-QWCMKKALSA-N 0 0 448.603 5.744 50 0 IKAARN O=C1COc2ccc(-c3cc(-c4ccc(Cl)cc4)cc(-c4ccc(F)cc4)n3)cc2N1 ZINC000019862854 569257005 /nfs/dbraw/zinc/25/70/05/569257005.db2.gz OMDPXZMNAYQKGY-UHFFFAOYSA-N 0 0 430.866 6.206 50 0 IKAARN COc1ccc(-c2c(C(=O)OC(C)(C)C)cc(O)c3c2ccc(OC)c3OC)cc1OC ZINC000019910053 569257083 /nfs/dbraw/zinc/25/70/83/569257083.db2.gz NPKYTJDGUWKDLU-UHFFFAOYSA-N 0 0 440.492 5.202 50 0 IKAARN O=C(CSc1nc2ccccc2n1C(=O)c1ccccc1)c1ccccc1OC(F)F ZINC000019911066 569257089 /nfs/dbraw/zinc/25/70/89/569257089.db2.gz NJWLASPCIXWVJP-UHFFFAOYSA-N 0 0 438.455 5.301 50 0 IKAARN O=c1c2ccccc2occ1[C@@H]1Sc2ccccc2N=C2c3cc(Cl)ccc3OC[C@@H]21 ZINC000019898056 569257123 /nfs/dbraw/zinc/25/71/23/569257123.db2.gz QNEDIBGQOIOQRG-SSOJOUAXSA-N 0 0 445.927 6.423 50 0 IKAARN CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(C)(C)C)C2=O ZINC000019908370 569257131 /nfs/dbraw/zinc/25/71/31/569257131.db2.gz WAQKSWSPRIKOEP-VOKYQHOCSA-N 0 0 426.600 6.862 50 0 IKAARN CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H](C(C)(C)C)C2=O 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5.447 50 0 IKAARN COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615893 569257584 /nfs/dbraw/zinc/25/75/84/569257584.db2.gz IZADLNPCVHXMGS-UHFFFAOYSA-N 0 0 444.716 5.875 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3ncccn32)cc1 ZINC000035615876 569257587 /nfs/dbraw/zinc/25/75/87/569257587.db2.gz PBMPMDDQOKWLLH-UHFFFAOYSA-N 0 0 428.580 6.749 50 0 IKAARN COc1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc2c1OCO2 ZINC000035324155 569257632 /nfs/dbraw/zinc/25/76/32/569257632.db2.gz FBJLPYMCBZFUML-RIEIJRLCSA-N 0 0 436.592 6.419 50 0 IKAARN COc1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 ZINC000035324153 569257658 /nfs/dbraw/zinc/25/76/58/569257658.db2.gz FBJLPYMCBZFUML-LUEBOWJYSA-N 0 0 436.592 6.419 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000036371787 569257712 /nfs/dbraw/zinc/25/77/12/569257712.db2.gz HZVPNPSHLHXAAJ-DXPQLTTRSA-N 0 0 440.712 8.126 50 0 IKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@]45C[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]21C)OC(=O)O5 ZINC000036371822 569257742 /nfs/dbraw/zinc/25/77/42/569257742.db2.gz XTMAJTPGFYBLQI-GGSZOQNYSA-N 0 0 440.668 7.708 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@@H]([C@H](C)CC[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000039942564 569257856 /nfs/dbraw/zinc/25/78/56/569257856.db2.gz LALAQRGFSWBMHR-MRVQLTEPSA-N 0 0 442.728 8.350 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@@H]([C@H](C)CC[C@@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000039942563 569257903 /nfs/dbraw/zinc/25/79/03/569257903.db2.gz LALAQRGFSWBMHR-ZKDREFFHSA-N 0 0 442.728 8.350 50 0 IKAARN 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)CC(=O)C[C@]43C)[C@@H]12 ZINC000078584024 569258543 /nfs/dbraw/zinc/25/85/43/569258543.db2.gz GOHXLAGZTBVJAJ-VIUFNMEASA-N 0 0 426.729 8.313 50 0 IKAARN Oc1ccccc1-c1csc(-c2cccc(-c3nc(-c4ccccc4O)cs3)c2)n1 ZINC000219039957 569258992 /nfs/dbraw/zinc/25/89/92/569258992.db2.gz JCCWXDFWWAUWKL-UHFFFAOYSA-N 0 0 428.538 6.679 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1ccc2ccccc2c1 ZINC000231426857 569259102 /nfs/dbraw/zinc/25/91/02/569259102.db2.gz HDZUKAKJNUJUAC-XIGLYXCTSA-N 0 0 434.583 7.694 50 0 IKAARN COC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000256980734 569262988 /nfs/dbraw/zinc/26/29/88/569262988.db2.gz WHMGDIMLSAAHJQ-HHBDIPANSA-N 0 0 444.700 8.179 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(Cl)c(Cl)c1)occ(-c1nc(C)cs1)c2=O ZINC000002280751 569263077 /nfs/dbraw/zinc/26/30/77/569263077.db2.gz YHLRMCUHXUCANY-UHFFFAOYSA-N 0 0 446.355 6.673 50 0 IKAARN O=C(C=Cc1ccccc1Cl)Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000027527559 569263310 /nfs/dbraw/zinc/26/33/10/569263310.db2.gz CLANVFONRVOSGS-SEYXRHQNSA-N 0 0 436.298 5.154 50 0 IKAARN CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002282292 569263434 /nfs/dbraw/zinc/26/34/34/569263434.db2.gz XINMJJPCAKTHEV-HNNXBMFYSA-N 0 0 438.622 5.027 50 0 IKAARN CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002282293 569263452 /nfs/dbraw/zinc/26/34/52/569263452.db2.gz XINMJJPCAKTHEV-OAHLLOKOSA-N 0 0 438.622 5.027 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002283441 569263707 /nfs/dbraw/zinc/26/37/07/569263707.db2.gz JEUARMZCGOGJAK-HNNXBMFYSA-N 0 0 430.639 6.193 50 0 IKAARN COc1ccc(NC(=O)C2CCN(c3nc(C4CCC4)nc4csc(C)c43)CC2)cc1 ZINC000065301553 569263739 /nfs/dbraw/zinc/26/37/39/569263739.db2.gz WPHYGFSBAZSYHT-UHFFFAOYSA-N 0 0 436.581 5.131 50 0 IKAARN CCOc1ccc(-n2c3nc4ccccc4nc3nc2-c2cccc(Br)c2)cc1 ZINC000002284787 569263740 /nfs/dbraw/zinc/26/37/40/569263740.db2.gz GSGFIPOBVFCZGT-UHFFFAOYSA-N 0 0 445.320 5.797 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000002285080 569263833 /nfs/dbraw/zinc/26/38/33/569263833.db2.gz YWSGTDSNFIDLNJ-SFHVURJKSA-N 0 0 428.623 5.827 50 0 IKAARN COc1ccccc1OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002285329 569263846 /nfs/dbraw/zinc/26/38/46/569263846.db2.gz YTLUIVHCPXIPKF-UHFFFAOYSA-N 0 0 434.289 5.892 50 0 IKAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)ccc12 ZINC000253369899 569264006 /nfs/dbraw/zinc/26/40/06/569264006.db2.gz JPAXZVBTAGSGRM-LJQANCHMSA-N 0 0 445.556 5.289 50 0 IKAARN Cc1ccc(-n2c3nnc(SCc4ccccc4)n3c3sc4c(c3c2=O)CCC4)cc1 ZINC000002289336 569264389 /nfs/dbraw/zinc/26/43/89/569264389.db2.gz YTEJNCTWTYCJLX-UHFFFAOYSA-N 0 0 444.585 5.184 50 0 IKAARN CC(=O)c1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000002289441 569264419 /nfs/dbraw/zinc/26/44/19/569264419.db2.gz SKNHJJPOHXVATO-UHFFFAOYSA-N 0 0 446.300 6.086 50 0 IKAARN COc1ccc([C@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)cc1OC ZINC000253394883 569264603 /nfs/dbraw/zinc/26/46/03/569264603.db2.gz AGTFYFKVYOAGKH-LJQANCHMSA-N 0 0 442.467 5.227 50 0 biogenic IKAARN CC(C)Oc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000253398249 569264687 /nfs/dbraw/zinc/26/46/87/569264687.db2.gz CALUUEPKSDNVIQ-OAQYLSRUSA-N 0 0 426.468 5.688 50 0 biogenic IKAARN CC(C)Oc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000253398247 569264715 /nfs/dbraw/zinc/26/47/15/569264715.db2.gz CALUUEPKSDNVIQ-NRFANRHFSA-N 0 0 426.468 5.688 50 0 biogenic IKAARN C[C@H](C(=O)N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253409416 569265590 /nfs/dbraw/zinc/26/55/90/569265590.db2.gz LUPGNSFFXSWHLV-TVVUZDRGSA-N 0 0 432.539 5.516 50 0 IKAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000253412290 569265853 /nfs/dbraw/zinc/26/58/53/569265853.db2.gz QMUIYFHITXRPSG-OAQYLSRUSA-N 0 0 436.463 5.637 50 0 biogenic IKAARN O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253413656 569265952 /nfs/dbraw/zinc/26/59/52/569265952.db2.gz VIXXNXJRKPPERI-SFHVURJKSA-N 0 0 436.419 5.007 50 0 biogenic IKAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NCc2cccc(Oc3ccccc3)c2)c1 ZINC000027532201 569266535 /nfs/dbraw/zinc/26/65/35/569266535.db2.gz OKUGXIHUNBOMDV-UHFFFAOYSA-N 0 0 433.511 5.908 50 0 IKAARN CN(C)c1cccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000253426678 569267371 /nfs/dbraw/zinc/26/73/71/569267371.db2.gz IDNYFUJZODAJFV-XMMPIXPASA-N 0 0 449.023 5.632 50 0 IKAARN C[C@](O)(c1nc(-c2cccnc2Oc2ccccc2)no1)c1cccc(C(F)(F)F)c1 ZINC000253427911 569267513 /nfs/dbraw/zinc/26/75/13/569267513.db2.gz BELUJHPQCVSPDS-OAQYLSRUSA-N 0 0 427.382 5.199 50 0 IKAARN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1 ZINC000253429900 569267525 /nfs/dbraw/zinc/26/75/25/569267525.db2.gz VNNAOHOTMATQNI-INIZCTEOSA-N 0 0 440.437 5.019 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1C ZINC000002291523 569268041 /nfs/dbraw/zinc/26/80/41/569268041.db2.gz KWCZWPBMAODGBP-UHFFFAOYSA-N 0 0 435.531 5.642 50 0 IKAARN Cc1cccc(-n2c(SC(C)C)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000002295358 569268127 /nfs/dbraw/zinc/26/81/27/569268127.db2.gz FEVPRMXFLZVWOR-UHFFFAOYSA-N 0 0 430.617 6.466 50 0 biogenic IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)cc2Cl)cc1 ZINC000002293519 569268141 /nfs/dbraw/zinc/26/81/41/569268141.db2.gz CPFRMLMRVMKNCB-UHFFFAOYSA-N 0 0 434.923 5.503 50 0 IKAARN CCOc1cccc2cc(-c3nc(-c4cccc(Br)c4)cs3)c(=O)oc21 ZINC000002294411 569268143 /nfs/dbraw/zinc/26/81/43/569268143.db2.gz BFFYEXIMMDTACV-UHFFFAOYSA-N 0 0 428.307 5.745 50 0 IKAARN COc1ccccc1-n1c(=O)c2c3c(sc2nc1SCCC(C)C)COC(C)(C)C3 ZINC000002292276 569268272 /nfs/dbraw/zinc/26/82/72/569268272.db2.gz STWUBSUIJBWFIM-UHFFFAOYSA-N 0 0 444.622 5.445 50 0 IKAARN CCCc1nc2sc3c(ncnc3SCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002296490 569268256 /nfs/dbraw/zinc/26/82/56/569268256.db2.gz FYHXZHMXYFKDEV-UHFFFAOYSA-N 0 0 449.645 6.378 50 0 IKAARN CCCSc1nnc2n1-c1nnc(SCCC)n1-c1sc3c(c1-2)CC[C@H](C)C3 ZINC000002296564 569268262 /nfs/dbraw/zinc/26/82/62/569268262.db2.gz OUCVDKCWTDHBEK-NSHDSACASA-N 0 0 432.644 5.019 50 0 IKAARN Cn1c(SCCOc2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002296818 569268298 /nfs/dbraw/zinc/26/82/98/569268298.db2.gz DWMKJUXXISYRCD-UHFFFAOYSA-N 0 0 428.623 5.342 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(Cl)cc1 ZINC000002298493 569268366 /nfs/dbraw/zinc/26/83/66/569268366.db2.gz KOAJFYDTOHBNJU-XMMPIXPASA-N 0 0 444.922 5.723 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc(F)cc1 ZINC000002297901 569268371 /nfs/dbraw/zinc/26/83/71/569268371.db2.gz JWJSKDDXHKBQPS-DEOSSOPVSA-N 0 0 428.467 5.209 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)Nc3cccc4ccccc43)c3nc4ccccc4nc32)cc1 ZINC000002296095 569268561 /nfs/dbraw/zinc/26/85/61/569268561.db2.gz LVRIPYGZUXXING-UHFFFAOYSA-N 0 0 443.510 5.870 50 0 IKAARN Cc1cc(Br)c(Cl)cc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O ZINC000239235425 569268657 /nfs/dbraw/zinc/26/86/57/569268657.db2.gz VXXMOYSZEUWRGL-BZUAXINKSA-N 0 0 432.745 5.484 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000238937227 569268678 /nfs/dbraw/zinc/26/86/78/569268678.db2.gz UMLPMZKGGPUJSG-IRLDBZIGSA-N 0 0 436.309 5.095 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C2CCCCC2)cc1OC ZINC000238923921 569268683 /nfs/dbraw/zinc/26/86/83/569268683.db2.gz QKDUEKXZCOGSAB-YKSBVNFPSA-N 0 0 426.944 5.807 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000239284763 569268727 /nfs/dbraw/zinc/26/87/27/569268727.db2.gz BZXMTIAOAFOSFL-BDYUSTAISA-N 0 0 426.560 6.625 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000239308983 569268733 /nfs/dbraw/zinc/26/87/33/569268733.db2.gz HCPSIQYAGJBZPL-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F ZINC000239338614 569268753 /nfs/dbraw/zinc/26/87/53/569268753.db2.gz KVALJVQIKPOBBW-GIXDEUJESA-N 0 0 447.531 5.964 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000239415392 569268898 /nfs/dbraw/zinc/26/88/98/569268898.db2.gz UIILXEDQKHSJDS-OAGGEKHMSA-N 0 0 449.378 5.803 50 0 IKAARN COc1ccc(OC)c(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3cccc(F)c3)C2)c1 ZINC000241409062 569268964 /nfs/dbraw/zinc/26/89/64/569268964.db2.gz NEHPXGSYLAOKRI-JOCHJYFZSA-N 0 0 438.886 5.488 50 0 IKAARN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(Cl)cc2-c2cccc(C)c2)c1 ZINC000240668578 569268976 /nfs/dbraw/zinc/26/89/76/569268976.db2.gz HNOMEZYQJNFMDA-UHFFFAOYSA-N 0 0 427.953 5.290 50 0 IKAARN C[C@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000241383456 569268987 /nfs/dbraw/zinc/26/89/87/569268987.db2.gz MVLKWFWRFVOSGB-FZKQIMNGSA-N 0 0 448.361 5.241 50 0 IKAARN CC(C)Oc1cccc([C@@H](Nc2ccc(OCc3noc(C4CC4)n3)cc2)C(F)F)c1 ZINC000241157235 569269012 /nfs/dbraw/zinc/26/90/12/569269012.db2.gz JVYIQKZCUWCMJQ-OAQYLSRUSA-N 0 0 429.467 5.732 50 0 IKAARN Cc1cnc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)nc1-c1ccccc1 ZINC000241470647 569269039 /nfs/dbraw/zinc/26/90/39/569269039.db2.gz NWVIPLMZTKYCMK-UHFFFAOYSA-N 0 0 449.514 5.019 50 0 IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000241231043 569269060 /nfs/dbraw/zinc/26/90/60/569269060.db2.gz KRMHTMWWLANUCO-MZNJEOGPSA-N 0 0 447.629 5.525 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cccs2)cc1 ZINC000239439086 569269086 /nfs/dbraw/zinc/26/90/86/569269086.db2.gz ZJYRRBQMBRDXAG-NQIIRXRSSA-N 0 0 431.344 6.306 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000244764004 569269352 /nfs/dbraw/zinc/26/93/52/569269352.db2.gz OZMKOAJSAFGHAK-XRGAULLZSA-N 0 0 440.897 5.600 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000245224521 569269469 /nfs/dbraw/zinc/26/94/69/569269469.db2.gz XUGISPSHIFXEHZ-QHXOLDSSSA-N 0 0 428.701 7.960 50 0 biogenic,in-vitro IKAARN CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)c1ccc(Br)cc1 ZINC000245238044 569269585 /nfs/dbraw/zinc/26/95/85/569269585.db2.gz DFIXEEFDUMGXRH-TUACAJSNSA-N 0 0 449.300 5.083 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000245245637 569269701 /nfs/dbraw/zinc/26/97/01/569269701.db2.gz FJLCOAMSRPOSOM-GMAHTHKFSA-N 0 0 435.321 5.700 50 0 IKAARN COCCNC(=O)c1ccccc1Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000253433583 569269816 /nfs/dbraw/zinc/26/98/16/569269816.db2.gz YWAUUSFNLWCXFV-UHFFFAOYSA-N 0 0 432.911 5.070 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)CS3)[C@H]1C ZINC000245296089 569269823 /nfs/dbraw/zinc/26/98/23/569269823.db2.gz KOZCXMOBTLICCN-GUXCAODWSA-N 0 0 443.012 5.533 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(C)cc2)cc1 ZINC000245326898 569269830 /nfs/dbraw/zinc/26/98/30/569269830.db2.gz NAAKUXWEAANKQZ-VWNXMTODSA-N 0 0 439.342 6.553 50 0 IKAARN O[C@@H]1c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000247747760 569269983 /nfs/dbraw/zinc/26/99/83/569269983.db2.gz QWYCALYVYWPWLT-PUNYWJAESA-N 0 0 434.535 5.006 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCC)c(OC)c2)cc1 ZINC000248126481 569270396 /nfs/dbraw/zinc/27/03/96/569270396.db2.gz GOSABOAACAQEBL-HOFKKMOUSA-N 0 0 444.531 5.735 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)c1 ZINC000248259280 569270768 /nfs/dbraw/zinc/27/07/68/569270768.db2.gz UXQGZXXFEUNYLH-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(F)ccc2Cl)cc1 ZINC000248249808 569270770 /nfs/dbraw/zinc/27/07/70/569270770.db2.gz OOEJEUARCWJDAD-GGAORHGYSA-N 0 0 443.305 6.383 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)c1 ZINC000248255474 569270784 /nfs/dbraw/zinc/27/07/84/569270784.db2.gz SASODPZEMGMLTA-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2c(F)cccc2Cl)cc1 ZINC000248265035 569270835 /nfs/dbraw/zinc/27/08/35/569270835.db2.gz YONHAASWKKKLHS-REWPJTCUSA-N 0 0 443.305 6.383 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000248380941 569270934 /nfs/dbraw/zinc/27/09/34/569270934.db2.gz RPTPQDRMGKSWJG-BVAGGSTKSA-N 0 0 430.504 5.345 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)[C@@H](C)[C@H](C)Sc1ccccc1)c2-c1ccccc1 ZINC000252427866 569271209 /nfs/dbraw/zinc/27/12/09/569271209.db2.gz IUEONDMREDACST-MDAIXWLXSA-N 0 0 446.660 7.644 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@@H](c1ccccc1)C1CCCC1 ZINC000002300847 569271457 /nfs/dbraw/zinc/27/14/57/569271457.db2.gz QVJFJQBKRUBPAD-DQEYMECFSA-N 0 0 448.404 6.629 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000027548442 569271460 /nfs/dbraw/zinc/27/14/60/569271460.db2.gz GRPBMTAWHGNVPH-OFNKIYASSA-N 0 0 425.315 6.244 50 0 IKAARN CCc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 ZINC000002302892 569271606 /nfs/dbraw/zinc/27/16/06/569271606.db2.gz AKYZILZKUDBFTM-UHFFFAOYSA-N 0 0 429.321 5.961 50 0 IKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC(F)(F)F)cc1)NC2 ZINC000054979032 569272065 /nfs/dbraw/zinc/27/20/65/569272065.db2.gz YSARIKOVGNZOPH-JOCHJYFZSA-N 0 0 432.442 5.366 50 0 IKAARN CC(C)(C)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CC[C@@H](C(C)(C)C)C3 ZINC000002314746 569272300 /nfs/dbraw/zinc/27/23/00/569272300.db2.gz PTLSAMOTMCGSGM-CYBMUJFWSA-N 0 0 426.651 6.987 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3N[C@H](C)CCc3ccccc3)c2c2c1CCCC2 ZINC000002315264 569272334 /nfs/dbraw/zinc/27/23/34/569272334.db2.gz CUTFWBMRPUFXDE-GOSISDBHSA-N 0 0 444.648 6.750 50 0 IKAARN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000253419834 569272351 /nfs/dbraw/zinc/27/23/51/569272351.db2.gz FQIQVEAPFMLWMW-UHFFFAOYSA-N 0 0 428.360 5.288 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 ZINC000002315717 569272457 /nfs/dbraw/zinc/27/24/57/569272457.db2.gz CCYKMANENDITGI-UHFFFAOYSA-N 0 0 434.586 5.724 50 0 IKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)[C@@H]2O ZINC000253497506 569272751 /nfs/dbraw/zinc/27/27/51/569272751.db2.gz NKLBOHZLKULONG-QXXYAGPISA-N 0 0 443.469 7.236 50 0 biogenic IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)OC5CCCCC5)[C@@]4(C)CC[C@H]32)C1 ZINC000253492424 569272783 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/nfs/dbraw/zinc/27/32/47/569273247.db2.gz UVKLEPAXPBFJMQ-DNJTTZRJSA-N 0 0 447.446 6.671 50 0 IKAARN C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OC[N@@H+]2C1 ZINC000253594903 569273255 /nfs/dbraw/zinc/27/32/55/569273255.db2.gz GRMUAQMHJKQVFL-LUAJDXSXSA-N 0 0 427.673 5.629 50 0 biogenic IKAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4C[C@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000253590794 569273282 /nfs/dbraw/zinc/27/32/82/569273282.db2.gz KEOLCBLQBIWDBI-YSYUXZCOSA-N 0 0 446.672 5.155 50 0 IKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(Cl)cc1Cl)[C@H]2O ZINC000253596682 569273288 /nfs/dbraw/zinc/27/32/88/569273288.db2.gz UVKLEPAXPBFJMQ-NDICMACUSA-N 0 0 447.446 6.671 50 0 IKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000253611263 569273304 /nfs/dbraw/zinc/27/33/04/569273304.db2.gz ISNRJHYMWLUQIR-NMLCSEJJSA-N 0 0 436.592 5.639 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253609242 569273331 /nfs/dbraw/zinc/27/33/31/569273331.db2.gz JOBAYBRAHVTSSW-GSCUFDLRSA-N 0 0 442.728 8.206 50 0 IKAARN CCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000253609129 569273354 /nfs/dbraw/zinc/27/33/54/569273354.db2.gz BBQNHGBERIULCP-JPEARLLBSA-N 0 0 428.745 8.823 50 0 IKAARN 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]3[C@H](O)C[C@H]2C1 ZINC000253609258 569273371 /nfs/dbraw/zinc/27/33/71/569273371.db2.gz KDJPNDQOTCHXMI-FYUFKUHCSA-N 0 0 446.716 7.010 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccc(F)cc3)c(Br)cc2oc1C(C)(C)C ZINC000002319272 569273523 /nfs/dbraw/zinc/27/35/23/569273523.db2.gz JRWPQOMSKXLNLG-UHFFFAOYSA-N 0 0 449.316 6.388 50 0 IKAARN O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC1c2ccccc2-c2ccccc21 ZINC000002319977 569273563 /nfs/dbraw/zinc/27/35/63/569273563.db2.gz GQFIIQPTMLUNPJ-UHFFFAOYSA-N 0 0 438.527 5.119 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027576329 569273791 /nfs/dbraw/zinc/27/37/91/569273791.db2.gz AJHVNRKFCYUCBA-UHFFFAOYSA-N 0 0 447.560 5.399 50 0 IKAARN Cc1ccc(Sc2nc3ccc(C)cc3cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000027572992 569273792 /nfs/dbraw/zinc/27/37/92/569273792.db2.gz OHQGNJRZJCZOQG-LFVJCYFKSA-N 0 0 436.536 6.347 50 0 IKAARN CCOC(=O)C1=C(C)N2C(=N[C@@H]3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)S1 ZINC000254482933 569273793 /nfs/dbraw/zinc/27/37/93/569273793.db2.gz ICBJIYNFSJGZBD-JIEIVQAVSA-N 0 0 444.600 6.193 50 0 IKAARN Cc1cccc(C2=N/C(=C/c3cc4cccc(C)c4nc3Sc3ccccc3)C(=O)O2)c1 ZINC000027573006 569273815 /nfs/dbraw/zinc/27/38/15/569273815.db2.gz VXSGLRJUUACFGN-XQNSMLJCSA-N 0 0 436.536 6.347 50 0 IKAARN Cc1cccc(C2=N/C(=C/c3cc4cc(C)ccc4nc3Sc3ccccc3)C(=O)O2)c1 ZINC000027573013 569273826 /nfs/dbraw/zinc/27/38/26/569273826.db2.gz PZRQZDNKIGZDRS-LFVJCYFKSA-N 0 0 436.536 6.347 50 0 IKAARN 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]3C(=O)C[C@]21C ZINC000254714894 569273911 /nfs/dbraw/zinc/27/39/11/569273911.db2.gz YWMXOBLUILSCFX-PUMZUHSJSA-N 0 0 446.628 5.345 50 0 IKAARN 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[C@]21C ZINC000254857535 569273917 /nfs/dbraw/zinc/27/39/17/569273917.db2.gz CWNZOPLFCKPLLI-XTJFTWSPSA-N 0 0 428.613 6.007 50 0 IKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)c2ccccc2C)cc1 ZINC000002324695 569274330 /nfs/dbraw/zinc/27/43/30/569274330.db2.gz USXWZXBBPWQZHI-UHFFFAOYSA-N 0 0 437.543 5.694 50 0 IKAARN Cc1cc(C)cc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002327075 569274426 /nfs/dbraw/zinc/27/44/26/569274426.db2.gz ZOTNRCJFUNZKGY-SFHVURJKSA-N 0 0 435.531 5.264 50 0 IKAARN Cc1cccc(CSCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000002328583 569274431 /nfs/dbraw/zinc/27/44/31/569274431.db2.gz JUTCEHCRTVLUBG-UHFFFAOYSA-N 0 0 439.393 6.231 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)c(Cl)c(C)c2)cc1 ZINC000002327443 569274441 /nfs/dbraw/zinc/27/44/41/569274441.db2.gz ZCIVACSJSSSLLX-UHFFFAOYSA-N 0 0 448.950 5.811 50 0 IKAARN COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1O ZINC000002329334 569274465 /nfs/dbraw/zinc/27/44/65/569274465.db2.gz FURRXROMOYHUTQ-UHFFFAOYSA-N 0 0 449.894 5.465 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1cccc(OC)c1)oc(=O)cc2-c1ccccc1 ZINC000002329749 569274580 /nfs/dbraw/zinc/27/45/80/569274580.db2.gz YPAWUSKYTZETQJ-UHFFFAOYSA-N 0 0 442.555 7.170 50 0 IKAARN CCc1nc2sc3c(c2c(SCC(=O)c2ccc(Br)cc2)n1)CCCC3 ZINC000002332092 569274686 /nfs/dbraw/zinc/27/46/86/569274686.db2.gz XYQFWZRGAZTTKK-UHFFFAOYSA-N 0 0 447.423 5.870 50 0 IKAARN CN(C)c1ccc(-c2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000002336041 569274801 /nfs/dbraw/zinc/27/48/01/569274801.db2.gz GSVPEKOGBSLBRL-UHFFFAOYSA-N 0 0 431.499 5.938 50 0 IKAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000002336240 569274820 /nfs/dbraw/zinc/27/48/20/569274820.db2.gz OKUHOUQDNJZSID-RBTNQOKQSA-N 0 0 442.323 6.003 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nc2ccc(F)cc2s1 ZINC000002338456 569274896 /nfs/dbraw/zinc/27/48/96/569274896.db2.gz DPUZZGPQRSKCLZ-FQEVSTJZSA-N 0 0 446.434 5.431 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000002337554 569274913 /nfs/dbraw/zinc/27/49/13/569274913.db2.gz OJVHVRNIRBEUAJ-UHFFFAOYSA-N 0 0 434.135 6.463 50 0 IKAARN CCn1c2ccccc2c(=O)c(-c2ccc(OC)cc2)c1NC(=O)c1ccccc1Cl ZINC000002339149 569275032 /nfs/dbraw/zinc/27/50/32/569275032.db2.gz IWDUEGCEGWBOKB-UHFFFAOYSA-N 0 0 432.907 5.603 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3Cl)c2NC(=O)c2ccccc2F)cc1 ZINC000002339585 569275036 /nfs/dbraw/zinc/27/50/36/569275036.db2.gz DJIBKLASQAIKPR-UHFFFAOYSA-N 0 0 447.897 5.561 50 0 IKAARN CCCCc1nc2sc3c(ncnc3SCC(=O)Nc3ccccc3)c2c2c1CCC2 ZINC000002342881 569275163 /nfs/dbraw/zinc/27/51/63/569275163.db2.gz ZZRKWYZSCXCGNX-UHFFFAOYSA-N 0 0 448.617 5.802 50 0 IKAARN COc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccc(F)cc5)N42)c2ccccc2CC3)cc1 ZINC000002342431 569275219 /nfs/dbraw/zinc/27/52/19/569275219.db2.gz JHCYWXPHRBJVCX-AREMUKBSSA-N 0 0 440.543 6.650 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 ZINC000002340966 569275223 /nfs/dbraw/zinc/27/52/23/569275223.db2.gz JTRSSLZEUJTIQN-INIZCTEOSA-N 0 0 426.651 6.409 50 0 IKAARN CC(=O)OC1=CC2=CC[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 ZINC000256547737 569275294 /nfs/dbraw/zinc/27/52/94/569275294.db2.gz DGCXQKBLGRZRTK-GEDZNKHOSA-N 0 0 426.685 8.085 50 0 IKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257347943 569280074 /nfs/dbraw/zinc/28/00/74/569280074.db2.gz ZUXCJTMUJNGXDG-SIEAIUEMSA-N 0 0 430.629 5.942 50 0 IKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 ZINC000257347390 569280083 /nfs/dbraw/zinc/28/00/83/569280083.db2.gz GPAYFLROALHUFV-LPEZCWOASA-N 0 0 428.701 7.771 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC=C3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257348091 569280095 /nfs/dbraw/zinc/28/00/95/569280095.db2.gz BHZSLZOJNSDNOI-CIXBIWSUSA-N 0 0 428.701 7.960 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257348090 569280096 /nfs/dbraw/zinc/28/00/96/569280096.db2.gz BHZSLZOJNSDNOI-CCHKXNNRSA-N 0 0 428.701 7.960 50 0 IKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@H](O)C[C@@H]3C[C@@H](O)[C@]21O ZINC000257348378 569280169 /nfs/dbraw/zinc/28/01/69/569280169.db2.gz FAPHQSDVQKULBQ-SHYFSQRLSA-N 0 0 434.705 5.800 50 0 IKAARN 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]3CC[C@@]21C ZINC000257348354 569280172 /nfs/dbraw/zinc/28/01/72/569280172.db2.gz DVIUCIPCTDVQAP-HDADNIHYSA-N 0 0 432.645 6.166 50 0 IKAARN 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]3CC[C@]21C ZINC000257348356 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RLYGPIXLJUPEKH-RUZDIDTESA-N 0 0 444.962 7.295 50 0 IKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccccc2)c1=O ZINC000002364975 569288354 /nfs/dbraw/zinc/28/83/54/569288354.db2.gz CYNADKSKXDMPHU-UHFFFAOYSA-N 0 0 437.543 5.758 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000002367406 569288422 /nfs/dbraw/zinc/28/84/22/569288422.db2.gz QMZHDPXNJNNBLS-XMMPIXPASA-N 0 0 443.474 5.037 50 0 IKAARN CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002367083 569288610 /nfs/dbraw/zinc/28/86/10/569288610.db2.gz QGGZIEOKSYEZIT-FQRUVTKNSA-N 0 0 440.318 5.172 50 0 IKAARN CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002368316 569288642 /nfs/dbraw/zinc/28/86/42/569288642.db2.gz LRFHRAYIANIBOZ-HXUWFJFHSA-N 0 0 434.904 5.313 50 0 IKAARN Cc1cccc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000002368742 569288810 /nfs/dbraw/zinc/28/88/10/569288810.db2.gz QUPZWOSOINDULI-UHFFFAOYSA-N 0 0 434.923 5.121 50 0 IKAARN CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000002371295 569288957 /nfs/dbraw/zinc/28/89/57/569288957.db2.gz HAVDDOKQPHFPFA-KYJUHHDHSA-N 0 0 433.595 7.193 50 0 IKAARN CC(C)n1ccc2c1cccc2NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000253412382 569288972 /nfs/dbraw/zinc/28/89/72/569288972.db2.gz QVMRFGGZYDKEEY-UHFFFAOYSA-N 0 0 445.972 5.058 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)[C@@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253396703 569288990 /nfs/dbraw/zinc/28/89/90/569288990.db2.gz BFIWXCINVKVDRY-APJQNUAFSA-N 0 0 444.575 5.386 50 0 IKAARN CCCCCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 ZINC000002372184 569289106 /nfs/dbraw/zinc/28/91/06/569289106.db2.gz FWPUVROIVCLPRU-UHFFFAOYSA-N 0 0 438.575 6.395 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000002373814 569289242 /nfs/dbraw/zinc/28/92/42/569289242.db2.gz OSMCIUUYVIEFAM-UHFFFAOYSA-N 0 0 441.922 6.622 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002375829 569289355 /nfs/dbraw/zinc/28/93/55/569289355.db2.gz FHUHRGZWSPKDEJ-NRFANRHFSA-N 0 0 444.339 7.931 50 0 IKAARN CC(C)c1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002376263 569289374 /nfs/dbraw/zinc/28/93/74/569289374.db2.gz LHLHXXFVVCBTGE-UHFFFAOYSA-N 0 0 442.544 5.112 50 0 IKAARN CC(C)COP(=O)(OCC(C)C)[C@H](Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002376985 569289463 /nfs/dbraw/zinc/28/94/63/569289463.db2.gz PMZRLTDDRMXROF-NRFANRHFSA-N 0 0 444.339 7.642 50 0 IKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000002378458 569289720 /nfs/dbraw/zinc/28/97/20/569289720.db2.gz MFXXTLSKDPRKGR-UHFFFAOYSA-N 0 0 441.694 5.356 50 0 IKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)c1ccc(F)cc1 ZINC000585655883 569289905 /nfs/dbraw/zinc/28/99/05/569289905.db2.gz MBVBBORLYVZUFL-UHFFFAOYSA-N 0 0 428.345 6.308 50 0 IKAARN COC(=O)c1ccccc1Sc1nc2ccccc2cc1-c1cccc(C(F)(F)F)c1 ZINC000008855495 569291313 /nfs/dbraw/zinc/29/13/13/569291313.db2.gz QCSCGIRPMUVNGF-UHFFFAOYSA-N 0 0 439.458 6.858 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000008857218 569291426 /nfs/dbraw/zinc/29/14/26/569291426.db2.gz PRGKJINRQJRZTC-UHFFFAOYSA-N 0 0 432.511 6.365 50 0 IKAARN Cc1ccc(C(=O)n2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)cc1 ZINC000008857175 569291450 /nfs/dbraw/zinc/29/14/50/569291450.db2.gz PNZLMJMVGWLCTJ-UHFFFAOYSA-N 0 0 437.326 6.433 50 0 IKAARN O=C(c1oc2ccccc2c1C[S@](=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000008857030 569291492 /nfs/dbraw/zinc/29/14/92/569291492.db2.gz DSQDJHDSILHETH-HKBQPEDESA-N 0 0 442.458 6.132 50 0 IKAARN Cc1cc(C)c2c(n1)sc(NC(=O)Nc1cccc(C(F)(F)F)c1)c2-n1cccc1 ZINC000008857363 569291546 /nfs/dbraw/zinc/29/15/46/569291546.db2.gz PRDSQXTYDVVFAL-UHFFFAOYSA-N 0 0 430.455 6.367 50 0 IKAARN Cc1cc(C)c2c(n1)sc(NC(=O)Nc1ccc(Br)cc1)c2-n1cccc1 ZINC000008857362 569291596 /nfs/dbraw/zinc/29/15/96/569291596.db2.gz RRECBZXDZDXQBN-UHFFFAOYSA-N 0 0 441.354 6.110 50 0 IKAARN Clc1ccc(CSc2nnc(/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000008857364 569291601 /nfs/dbraw/zinc/29/16/01/569291601.db2.gz KBZPQZOOIMMLCY-OVCLIPMQSA-N 0 0 438.383 7.037 50 0 IKAARN Brc1cc(Br)c2nc(-c3ccc(C4CCCCC4)cc3)ccc2c1 ZINC000008857371 569291607 /nfs/dbraw/zinc/29/16/07/569291607.db2.gz YPBUXYZTTQJKBL-UHFFFAOYSA-N 0 0 445.198 7.475 50 0 IKAARN COc1ccc(N(Cc2c(Cl)n(C)nc2C(F)(F)F)C(=O)c2ccc(C)cc2)cc1 ZINC000008873525 569291650 /nfs/dbraw/zinc/29/16/50/569291650.db2.gz LZQKPYOWTWCLBC-UHFFFAOYSA-N 0 0 437.849 5.256 50 0 IKAARN CCOC(=O)C1C(C)=Nc2c(cnn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000008873387 569291673 /nfs/dbraw/zinc/29/16/73/569291673.db2.gz DSOFUOUMMAYACG-HXUWFJFHSA-N 0 0 428.319 5.574 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000002380497 569291765 /nfs/dbraw/zinc/29/17/65/569291765.db2.gz HKMHFBUNLDMBKS-INIZCTEOSA-N 0 0 428.561 6.016 50 0 IKAARN CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCc1ccc(Cl)cc1 ZINC000008873920 569291820 /nfs/dbraw/zinc/29/18/20/569291820.db2.gz AMTGXEARANHBCD-UHFFFAOYSA-N 0 0 427.879 5.842 50 0 IKAARN Cc1cc(C)n(-c2cnc3c(-c4ccc(Cl)cc4)cnn3c2-c2ccc(Cl)cc2)n1 ZINC000008873588 569291856 /nfs/dbraw/zinc/29/18/56/569291856.db2.gz XDXQMYAWDLPZGO-UHFFFAOYSA-N 0 0 434.330 6.173 50 0 IKAARN Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(Oc2ccc(Cl)cc2Cl)n1 ZINC000008888059 569291974 /nfs/dbraw/zinc/29/19/74/569291974.db2.gz YNPLJDWCYJTOEU-AREMUKBSSA-N 0 0 427.740 5.845 50 0 IKAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)Nc1cccc(Br)c1 ZINC000065031502 569292710 /nfs/dbraw/zinc/29/27/10/569292710.db2.gz XLLUZOZPSMZYAG-UHFFFAOYSA-N 0 0 434.293 5.077 50 0 IKAARN CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000002384509 569294262 /nfs/dbraw/zinc/29/42/62/569294262.db2.gz SBVROASOQQIFJD-QABMSTFYSA-N 0 0 442.927 6.545 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1Br ZINC000009282756 569294957 /nfs/dbraw/zinc/29/49/57/569294957.db2.gz ZDSPVSMDQMCIBZ-UHFFFAOYSA-N 0 0 439.338 5.264 50 0 IKAARN CCCCCCOC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002389073 569295976 /nfs/dbraw/zinc/29/59/76/569295976.db2.gz OPUSOUHOFJBTPQ-UHFFFAOYSA-N 0 0 446.551 5.155 50 0 IKAARN CC(C)CCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 ZINC000002391050 569297760 /nfs/dbraw/zinc/29/77/60/569297760.db2.gz HFSAQNCSNVYNNP-UHFFFAOYSA-N 0 0 440.663 6.258 50 0 IKAARN COc1ccc([C@@H](Nc2ccccc2)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000002391240 569297805 /nfs/dbraw/zinc/29/78/05/569297805.db2.gz XJCNDWJGARFDTN-FKAPRUDGSA-N 0 0 438.508 5.901 50 0 IKAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 ZINC000002394437 569298162 /nfs/dbraw/zinc/29/81/62/569298162.db2.gz XACDBPSLESOHMY-SFHVURJKSA-N 0 0 445.972 5.824 50 0 IKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3c(C)c(C)c(C)c(C)c3C)cc2oc1=O ZINC000002394304 569298210 /nfs/dbraw/zinc/29/82/10/569298210.db2.gz FDAXHBWIPKRRNE-UHFFFAOYSA-N 0 0 442.939 5.591 50 0 IKAARN O=C(COc1ccccc1)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 ZINC000002394589 569298246 /nfs/dbraw/zinc/29/82/46/569298246.db2.gz RSZMHDHODFGOIV-UHFFFAOYSA-N 0 0 434.542 5.289 50 0 IKAARN CC(C)CCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002395647 569298308 /nfs/dbraw/zinc/29/83/08/569298308.db2.gz SGRFUHMNBVWLTC-UHFFFAOYSA-N 0 0 442.350 5.239 50 0 IKAARN CCCCCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002398180 569298597 /nfs/dbraw/zinc/29/85/97/569298597.db2.gz RLJVYTZNUDCFIL-GOSISDBHSA-N 0 0 429.568 5.108 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)N[C@H]2CCSc3ccccc32)cs1)c1ccccc1 ZINC000009959103 569298690 /nfs/dbraw/zinc/29/86/90/569298690.db2.gz JOTOIGPMKCXAAQ-SGWGQVFISA-N 0 0 435.574 5.194 50 0 IKAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000002399517 569298912 /nfs/dbraw/zinc/29/89/12/569298912.db2.gz PKROHIDRSCZJDZ-KMRXNPHXSA-N 0 0 442.323 6.003 50 0 IKAARN COc1ccccc1[C@@H](Nc1ccccc1)[P@@](=O)(OC(C)C)c1ccc(N(C)C)cc1 ZINC000002399370 569298971 /nfs/dbraw/zinc/29/89/71/569298971.db2.gz PSXLHQDLGZZANL-FKAPRUDGSA-N 0 0 438.508 5.901 50 0 IKAARN CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002399959 569299147 /nfs/dbraw/zinc/29/91/47/569299147.db2.gz YRHGQWHOGNYDPR-XMSQKQJNSA-N 0 0 437.923 5.294 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002400915 569299550 /nfs/dbraw/zinc/29/95/50/569299550.db2.gz RVLFEMIVGAOKLY-OAQYLSRUSA-N 0 0 446.528 5.405 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ncccn1 ZINC000002401681 569299673 /nfs/dbraw/zinc/29/96/73/569299673.db2.gz GQHOXCVYFSMMBS-HSZRJFAPSA-N 0 0 447.450 5.125 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3N(CC)CCCC)c2c2c1CCC2 ZINC000002403231 569299794 /nfs/dbraw/zinc/29/97/94/569299794.db2.gz MEVKDDXHKYBALG-UHFFFAOYSA-N 0 0 428.671 6.419 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O ZINC000002403794 569299900 /nfs/dbraw/zinc/29/99/00/569299900.db2.gz AMHAXGJIKOJMKU-DEOSSOPVSA-N 0 0 441.527 6.046 50 0 IKAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000002405078 569299996 /nfs/dbraw/zinc/29/99/96/569299996.db2.gz HIQXRMYPJQDPOX-UHFFFAOYSA-N 0 0 431.319 6.634 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000002405665 569300116 /nfs/dbraw/zinc/30/01/16/569300116.db2.gz UYYNHAOQNDBKMS-YVLHZVERSA-N 0 0 432.694 5.485 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc(Br)cc2)c3=O)cc1 ZINC000002407151 569300258 /nfs/dbraw/zinc/30/02/58/569300258.db2.gz MYPUMPHYGRSSHQ-UHFFFAOYSA-N 0 0 449.300 6.059 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O ZINC000002407901 569300358 /nfs/dbraw/zinc/30/03/58/569300358.db2.gz BGJNBFGUMUSOBB-FQEVSTJZSA-N 0 0 449.507 5.040 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O ZINC000002410245 569300771 /nfs/dbraw/zinc/30/07/71/569300771.db2.gz UEUFVZZCMZCEKA-HSZRJFAPSA-N 0 0 427.500 5.737 50 0 IKAARN CCCNC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccc(C)cc1)n3CCCC2 ZINC000002410432 569300838 /nfs/dbraw/zinc/30/08/38/569300838.db2.gz QMDRBWTUENMUEA-UHFFFAOYSA-N 0 0 425.576 6.168 50 0 IKAARN CCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)OC(C)(C)C)ccc2c1=O ZINC000002411198 569300913 /nfs/dbraw/zinc/30/09/13/569300913.db2.gz SXYSBOVNFUEXEI-UHFFFAOYSA-N 0 0 426.465 5.013 50 0 biogenic IKAARN O=C1C[C@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1cccc(Br)c1 ZINC000002411347 569300927 /nfs/dbraw/zinc/30/09/27/569300927.db2.gz SEDYDUQZNGLFRU-GCKKQHTFSA-N 0 0 444.328 5.380 50 0 IKAARN COc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 ZINC000002412052 569301019 /nfs/dbraw/zinc/30/10/19/569301019.db2.gz KPLCMYMIAGOVAO-UHFFFAOYSA-N 0 0 426.520 5.137 50 0 IKAARN O=C1C[C@@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1ccc(Br)cc1 ZINC000002412145 569301041 /nfs/dbraw/zinc/30/10/41/569301041.db2.gz XUBDISAOUQMXHB-LQOCYXTFSA-N 0 0 444.328 5.380 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OCc4ccccc4)cc3oc2C(F)(F)F)cc1 ZINC000002412373 569301065 /nfs/dbraw/zinc/30/10/65/569301065.db2.gz GHQDZUDTRSKUAB-UHFFFAOYSA-N 0 0 426.390 6.066 50 0 IKAARN CC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccc(Cl)c(Cl)c1)n3CCCC2 ZINC000002413354 569301098 /nfs/dbraw/zinc/30/10/98/569301098.db2.gz MBZJZARCNWMRRR-UHFFFAOYSA-N 0 0 437.370 7.229 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O ZINC000002412859 569301115 /nfs/dbraw/zinc/30/11/15/569301115.db2.gz FXZBFPYMYOAOPL-DEOSSOPVSA-N 0 0 433.548 5.585 50 0 IKAARN c1ccc(CSc2nc3c(c(N4CCCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002412907 569301177 /nfs/dbraw/zinc/30/11/77/569301177.db2.gz BCHPYIBDTMRCDI-UHFFFAOYSA-N 0 0 441.644 6.794 50 0 IKAARN Cc1ccc(-n2ncc3c4nnc(-c5ccc(Cl)cc5Cl)n4cnc32)cc1Cl ZINC000002415512 569301380 /nfs/dbraw/zinc/30/13/80/569301380.db2.gz RGUOKKNOULTVMO-UHFFFAOYSA-N 0 0 429.698 5.399 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000002415082 569301421 /nfs/dbraw/zinc/30/14/21/569301421.db2.gz OTNJZKCUWMEFEG-ABAIWWIYSA-N 0 0 446.400 6.281 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000002415815 569301423 /nfs/dbraw/zinc/30/14/23/569301423.db2.gz UOGQCQOPXUFDSI-NRFANRHFSA-N 0 0 448.906 5.790 50 0 IKAARN CSc1ccc([C@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000002416030 569301514 /nfs/dbraw/zinc/30/15/14/569301514.db2.gz GNNAYEZQEYDCCG-XZOQPEGZSA-N 0 0 444.585 5.583 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(C[C@H]1CCCO1)C3=O ZINC000002418468 569301615 /nfs/dbraw/zinc/30/16/15/569301615.db2.gz YJXKHCHYMFWOOL-YKSBVNFPSA-N 0 0 431.532 5.257 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002417712 569301628 /nfs/dbraw/zinc/30/16/28/569301628.db2.gz NZFBFCZKLSYSOO-WMZHIEFXSA-N 0 0 431.532 5.123 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002418470 569301707 /nfs/dbraw/zinc/30/17/07/569301707.db2.gz YJXKHCHYMFWOOL-RDPSFJRHSA-N 0 0 431.532 5.257 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000002418485 569301741 /nfs/dbraw/zinc/30/17/41/569301741.db2.gz LBNULNMDZCDGFS-LJQANCHMSA-N 0 0 426.255 5.438 50 0 IKAARN COc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)ccc1F ZINC000027829037 569302009 /nfs/dbraw/zinc/30/20/09/569302009.db2.gz IYOKJXKGTXOIGE-UHFFFAOYSA-N 0 0 437.490 5.265 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 ZINC000002420436 569302019 /nfs/dbraw/zinc/30/20/19/569302019.db2.gz IZCPYBGYFBVIRV-QZTJIDSGSA-N 0 0 437.862 5.062 50 0 IKAARN CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Br)cc(Br)c1O2 ZINC000002420942 569302029 /nfs/dbraw/zinc/30/20/29/569302029.db2.gz SGACMEJZUBOUBY-IBGZPJMESA-N 0 0 435.159 5.741 50 0 IKAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000002421307 569302104 /nfs/dbraw/zinc/30/21/04/569302104.db2.gz MJZGIHIOGXCUQJ-NRFANRHFSA-N 0 0 445.544 5.389 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002423420 569302165 /nfs/dbraw/zinc/30/21/65/569302165.db2.gz FZHMDEXBEJQKPS-DNQXCXABSA-N 0 0 442.519 5.352 50 0 IKAARN Clc1ccc(-n2ncc3c4nc(Cc5cccc6ccccc65)nn4cnc32)cc1Cl ZINC000002422853 569302224 /nfs/dbraw/zinc/30/22/24/569302224.db2.gz XQEYGXIUVCKCHV-UHFFFAOYSA-N 0 0 445.313 5.514 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1 ZINC000002422710 569302233 /nfs/dbraw/zinc/30/22/33/569302233.db2.gz QGAOYIURRXWNBE-DEOSSOPVSA-N 0 0 443.474 5.037 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002423419 569302242 /nfs/dbraw/zinc/30/22/42/569302242.db2.gz FZHMDEXBEJQKPS-RPWUZVMVSA-N 0 0 442.519 5.352 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000002428023 569302734 /nfs/dbraw/zinc/30/27/34/569302734.db2.gz PBBMYWUTIMTANX-LJQANCHMSA-N 0 0 438.530 5.230 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002427944 569302772 /nfs/dbraw/zinc/30/27/72/569302772.db2.gz OVVGJGPITQRMSX-UHFFFAOYSA-N 0 0 430.552 5.872 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000002429037 569302821 /nfs/dbraw/zinc/30/28/21/569302821.db2.gz OLEKESOZKLHZEZ-UHFFFAOYSA-N 0 0 432.903 6.630 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)sc1C ZINC000002429244 569302851 /nfs/dbraw/zinc/30/28/51/569302851.db2.gz PEMNATBEBHXPAQ-GOSISDBHSA-N 0 0 440.883 5.409 50 0 IKAARN Cc1oc2cc(OCc3ccccc3F)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000002429574 569302891 /nfs/dbraw/zinc/30/28/91/569302891.db2.gz KCVJOYYGXISOEJ-UHFFFAOYSA-N 0 0 439.280 6.249 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3F)cc2O)cc1OC ZINC000002429980 569302992 /nfs/dbraw/zinc/30/29/92/569302992.db2.gz GAIFQJUMMQVZQQ-UHFFFAOYSA-N 0 0 432.451 5.252 50 0 IKAARN O=c1oc2cc(OCc3ccccc3C(F)(F)F)ccc2cc1-c1nc2ccccc2[nH]1 ZINC000011867637 569303081 /nfs/dbraw/zinc/30/30/81/569303081.db2.gz GUUONMBCDYORFH-UHFFFAOYSA-N 0 0 436.389 5.934 50 0 IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1 ZINC000002430478 569303214 /nfs/dbraw/zinc/30/32/14/569303214.db2.gz VKPMFCHSRFAXNG-UHFFFAOYSA-N 0 0 430.456 5.649 50 0 IKAARN CCOc1ccc(/N=c2\cc(-c3ccc(OC)cc3)cc(OCC)c3c(C)oc(C)c32)cc1 ZINC000002432171 569303377 /nfs/dbraw/zinc/30/33/77/569303377.db2.gz VZDVIWYZRPUTMD-XLVZBRSZSA-N 0 0 443.543 6.755 50 0 IKAARN CCCCCOC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002435042 569303704 /nfs/dbraw/zinc/30/37/04/569303704.db2.gz MCXAOAFIFBXVSP-UHFFFAOYSA-N 0 0 438.915 5.165 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002434744 569303707 /nfs/dbraw/zinc/30/37/07/569303707.db2.gz PVSAMPRIZAZPKO-FQEVSTJZSA-N 0 0 449.507 5.040 50 0 IKAARN CC(C)OCCCn1c2nc3ccccc3nc2nc1-c1ccc(Br)cc1 ZINC000002436379 569303800 /nfs/dbraw/zinc/30/38/00/569303800.db2.gz DPWLNJHMWOTSOC-UHFFFAOYSA-N 0 0 425.330 5.224 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002438167 569303931 /nfs/dbraw/zinc/30/39/31/569303931.db2.gz XAFSXEYKYZJZEG-UHFFFAOYSA-N 0 0 444.962 6.409 50 0 IKAARN CC(C)Oc1ccc(-c2nc3ccccc3c(Oc3ccc(Cl)c4ccccc34)n2)cc1 ZINC000002437293 569303934 /nfs/dbraw/zinc/30/39/34/569303934.db2.gz PEWAENVMYHDYPH-UHFFFAOYSA-N 0 0 440.930 7.683 50 0 IKAARN CCCNC(=O)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccc(C)cc1)n3CCCC2 ZINC000002437240 569303949 /nfs/dbraw/zinc/30/39/49/569303949.db2.gz HGJNFBMSJSMWQV-UHFFFAOYSA-N 0 0 445.994 6.513 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 ZINC000002438869 569303964 /nfs/dbraw/zinc/30/39/64/569303964.db2.gz ARCRHHXTPANIHE-HXUWFJFHSA-N 0 0 438.409 5.576 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1OC ZINC000002440055 569304008 /nfs/dbraw/zinc/30/40/08/569304008.db2.gz FINCHXFKXDOAMI-UHFFFAOYSA-N 0 0 434.419 5.144 50 0 IKAARN CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002440264 569304092 /nfs/dbraw/zinc/30/40/92/569304092.db2.gz SARYUVASQNVNNS-SFHVURJKSA-N 0 0 438.892 5.051 50 0 IKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2F)c(-c2ccc(Cl)cc2)c1=O ZINC000002440252 569304121 /nfs/dbraw/zinc/30/41/21/569304121.db2.gz FYMKNTYJHXJTMB-UHFFFAOYSA-N 0 0 433.870 5.253 50 0 IKAARN CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 ZINC000002440698 569304129 /nfs/dbraw/zinc/30/41/29/569304129.db2.gz AKQNTBAVQREVAG-UHFFFAOYSA-N 0 0 448.446 5.789 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2cc(C)cc(C)c2)cc1 ZINC000002441442 569304145 /nfs/dbraw/zinc/30/41/45/569304145.db2.gz RBMHEHQTTVFFEA-UHFFFAOYSA-N 0 0 442.559 5.938 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1C ZINC000002440950 569304171 /nfs/dbraw/zinc/30/41/71/569304171.db2.gz MTRJYPGXHULEDP-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 ZINC000002443573 569304271 /nfs/dbraw/zinc/30/42/71/569304271.db2.gz FBRDJNPHTZVYQO-UHFFFAOYSA-N 0 0 427.504 5.303 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2Cl)cc1 ZINC000002443873 569304277 /nfs/dbraw/zinc/30/42/77/569304277.db2.gz SPJUNYNMOZMDTM-UHFFFAOYSA-N 0 0 441.987 7.342 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c(O)c2)cc1 ZINC000002443959 569304358 /nfs/dbraw/zinc/30/43/58/569304358.db2.gz KCPUKMLXYZUJKD-UHFFFAOYSA-N 0 0 429.907 5.974 50 0 IKAARN CCOc1ccccc1Oc1coc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O ZINC000002449020 569304720 /nfs/dbraw/zinc/30/47/20/569304720.db2.gz GXVAUZBQMIAKEY-UHFFFAOYSA-N 0 0 440.854 6.356 50 0 IKAARN CC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012659680 569304778 /nfs/dbraw/zinc/30/47/78/569304778.db2.gz CNXPKARYBROKAV-UWFXRURXSA-N 0 0 435.652 5.975 50 0 biogenic IKAARN O=C([O-])[C@H]1CCC[N@H+](CCO[C@@H](c2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000082048292 569304838 /nfs/dbraw/zinc/30/48/38/569304838.db2.gz JKIRRUZTMFSVDW-PXNSSMCTSA-N 0 0 441.877 5.261 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000002450576 569304998 /nfs/dbraw/zinc/30/49/98/569304998.db2.gz MFFDPIBDPIYGHT-UHFFFAOYSA-N 0 0 433.375 5.102 50 0 IKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000012935670 569305105 /nfs/dbraw/zinc/30/51/05/569305105.db2.gz VIAZWWPNMJLILS-XQNSMLJCSA-N 0 0 448.469 5.816 50 0 IKAARN Cc1nc(CSc2ccc(Cl)cc2)cc(OCc2ccc(Cl)c(Cl)c2)n1 ZINC000012955603 569305227 /nfs/dbraw/zinc/30/52/27/569305227.db2.gz LHNDSYGOYOTWNQ-UHFFFAOYSA-N 0 0 425.768 6.617 50 0 IKAARN Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Sc2ccc(F)cc2)cc1 ZINC000012955028 569305198 /nfs/dbraw/zinc/30/51/98/569305198.db2.gz UICRFKZNAKVWME-UHFFFAOYSA-N 0 0 436.533 5.575 50 0 IKAARN FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1cc(Cl)cc(Cl)c1 ZINC000012955929 569305289 /nfs/dbraw/zinc/30/52/89/569305289.db2.gz FBIJGVGMXBRUCV-UHFFFAOYSA-N 0 0 428.024 7.055 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC000012956769 569305321 /nfs/dbraw/zinc/30/53/21/569305321.db2.gz DNACWLOAECXSSY-UHFFFAOYSA-N 0 0 431.266 6.312 50 0 IKAARN Fc1cccc(F)c1-c1nnnn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl ZINC000012960084 569305427 /nfs/dbraw/zinc/30/54/27/569305427.db2.gz NRYGRSFDCITIQH-UHFFFAOYSA-N 0 0 433.245 5.493 50 0 IKAARN O=C1O/C(=C\N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000012961273 569305432 /nfs/dbraw/zinc/30/54/32/569305432.db2.gz GCABLUGXOGQONP-LAFYTXFYSA-N 0 0 448.478 5.148 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000012981841 569305868 /nfs/dbraw/zinc/30/58/68/569305868.db2.gz NPXWZMFVMFOTGO-UHFFFAOYSA-N 0 0 444.336 6.352 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)n2)cc1 ZINC000012984444 569305871 /nfs/dbraw/zinc/30/58/71/569305871.db2.gz ZRUHKVUFJXRBAI-QGZVFWFLSA-N 0 0 437.565 5.192 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 ZINC000002453693 569306131 /nfs/dbraw/zinc/30/61/31/569306131.db2.gz GPXRILODCAZLQX-UHFFFAOYSA-N 0 0 446.576 5.496 50 0 IKAARN Cc1c(NC(=O)c2ccccc2OC(F)F)cccc1C(=O)N1CCc2sccc2C1 ZINC000012998961 569306153 /nfs/dbraw/zinc/30/61/53/569306153.db2.gz CJMFXPACZYVGMA-UHFFFAOYSA-N 0 0 442.487 5.109 50 0 IKAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000012998848 569306180 /nfs/dbraw/zinc/30/61/80/569306180.db2.gz NTXPGVNMXRMHJG-UHFFFAOYSA-N 0 0 447.716 5.073 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2-c2ccccc2)cc1 ZINC000002453740 569306219 /nfs/dbraw/zinc/30/62/19/569306219.db2.gz SBZHPDUKAHXQQW-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc(OC)c1 ZINC000013010351 569306875 /nfs/dbraw/zinc/30/68/75/569306875.db2.gz IHTQZGGHNSIEHJ-UHFFFAOYSA-N 0 0 428.579 5.251 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)n1 ZINC000013010501 569306864 /nfs/dbraw/zinc/30/68/64/569306864.db2.gz DNXFOXQCHGTOLA-HNNXBMFYSA-N 0 0 439.972 5.836 50 0 IKAARN Cc1cccc(Oc2ccccc2NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000013014592 569307016 /nfs/dbraw/zinc/30/70/16/569307016.db2.gz SCCYOXSKFDVMKW-UHFFFAOYSA-N 0 0 431.495 6.650 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000013012987 569307039 /nfs/dbraw/zinc/30/70/39/569307039.db2.gz YXFZNJPDGHXQJJ-UHFFFAOYSA-N 0 0 437.565 5.821 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000013018068 569307254 /nfs/dbraw/zinc/30/72/54/569307254.db2.gz YGERTFVCSDCTQW-UHFFFAOYSA-N 0 0 439.726 5.838 50 0 IKAARN COc1ccc(NC(=O)CSc2cc(-c3ccccc3)c3ccc(OC)cc3n2)cc1 ZINC000013018096 569307268 /nfs/dbraw/zinc/30/72/68/569307268.db2.gz DFIKKEXQXKEANV-UHFFFAOYSA-N 0 0 430.529 5.650 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2Br)cc1 ZINC000013027687 569307382 /nfs/dbraw/zinc/30/73/82/569307382.db2.gz WZYLFTPIYBICKV-JOCHJYFZSA-N 0 0 435.321 5.449 50 0 IKAARN Cc1ccc(CN(C)[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013040514 569307999 /nfs/dbraw/zinc/30/79/99/569307999.db2.gz SENXMCFHFNFWKD-QFIPXVFZSA-N 0 0 446.900 6.479 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1N1CCCC1 ZINC000013040839 569308081 /nfs/dbraw/zinc/30/80/81/569308081.db2.gz VMSMVHVWLIALRL-UHFFFAOYSA-N 0 0 438.531 5.400 50 0 IKAARN O=C(c1ccccc1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013041150 569308142 /nfs/dbraw/zinc/30/81/42/569308142.db2.gz ZGVKQVSBCZUDFO-INIZCTEOSA-N 0 0 433.360 5.943 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1c(F)cccc1Cl)CC2 ZINC000013042205 569308291 /nfs/dbraw/zinc/30/82/91/569308291.db2.gz DRHCWAAQYJNXRW-RUZDIDTESA-N 0 0 439.914 5.213 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nc2ccccc2o1 ZINC000013057873 569308347 /nfs/dbraw/zinc/30/83/47/569308347.db2.gz JXUAUNXRECSZJE-UHFFFAOYSA-N 0 0 442.518 5.365 50 0 IKAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000013057978 569308366 /nfs/dbraw/zinc/30/83/66/569308366.db2.gz SFQXBSKKJIJKTA-QGZVFWFLSA-N 0 0 427.375 5.720 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccccc1Cl)CC2 ZINC000013060644 569308537 /nfs/dbraw/zinc/30/85/37/569308537.db2.gz MFGFXTCYMVFBKM-QHCPKHFHSA-N 0 0 442.968 5.005 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3ccccc3OC(F)F)n2)cc1 ZINC000013063009 569308629 /nfs/dbraw/zinc/30/86/29/569308629.db2.gz BGLDIOSMDUEJSB-ZDUSSCGKSA-N 0 0 446.475 5.158 50 0 IKAARN COc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@@H](C)Cc2cccs2)cc1 ZINC000013069343 569308935 /nfs/dbraw/zinc/30/89/35/569308935.db2.gz XXJPEBISIISYMY-SFHVURJKSA-N 0 0 443.996 5.757 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1sccc1-c1ccccc1 ZINC000013071868 569308960 /nfs/dbraw/zinc/30/89/60/569308960.db2.gz IIBJQUCOUVHTDS-UHFFFAOYSA-N 0 0 439.583 6.634 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(Br)cc3)cc2)cc1 ZINC000013071056 569309026 /nfs/dbraw/zinc/30/90/26/569309026.db2.gz RZMDZVCHLXPFKV-UHFFFAOYSA-N 0 0 433.309 5.258 50 0 IKAARN CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1=S ZINC000013073101 569309126 /nfs/dbraw/zinc/30/91/26/569309126.db2.gz NSMZSMNMIPJBLE-UHFFFAOYSA-N 0 0 440.494 5.577 50 0 IKAARN Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3)s2)ccc1Br ZINC000013075890 569309194 /nfs/dbraw/zinc/30/91/94/569309194.db2.gz OSMLRZPRXCMSAY-UHFFFAOYSA-N 0 0 435.372 5.083 50 0 IKAARN COc1ccc2c(COC(=O)COc3cc(C)c(Cl)cc3C(C)C)cc(=O)oc2c1 ZINC000013075083 569309269 /nfs/dbraw/zinc/30/92/69/569309269.db2.gz JSLQBLDDJIVRDI-UHFFFAOYSA-N 0 0 430.884 5.009 50 0 IKAARN COc1ccc(-c2csc3nc(C)nc(Oc4ccc(Cl)c(C)c4)c23)cc1OC ZINC000013095234 569309320 /nfs/dbraw/zinc/30/93/20/569309320.db2.gz SUQLUDRAWGNJFO-UHFFFAOYSA-N 0 0 426.925 6.438 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1 ZINC000013095960 569309480 /nfs/dbraw/zinc/30/94/80/569309480.db2.gz TXNZFDIRCJGYDT-UHFFFAOYSA-N 0 0 442.562 7.945 50 0 IKAARN O=C(Cc1csc(-c2cccs2)n1)Oc1ccc2cc(Br)ccc2c1 ZINC000013096868 569309614 /nfs/dbraw/zinc/30/96/14/569309614.db2.gz AAOALXPIOMBWOF-UHFFFAOYSA-N 0 0 430.348 5.935 50 0 IKAARN O=C(Cc1coc2ccc3ccccc3c12)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000013097314 569309671 /nfs/dbraw/zinc/30/96/71/569309671.db2.gz RNSSKNNKUZYXPK-UHFFFAOYSA-N 0 0 447.844 5.424 50 0 IKAARN CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013097946 569309826 /nfs/dbraw/zinc/30/98/26/569309826.db2.gz OVXIGPDMCROEHR-UHFFFAOYSA-N 0 0 438.959 5.952 50 0 IKAARN Cc1ccc(-c2noc(COC(=O)c3ccccc3OCc3ccccc3Cl)n2)cc1 ZINC000013098435 569309897 /nfs/dbraw/zinc/30/98/97/569309897.db2.gz VHPCSNAZTQIGMB-UHFFFAOYSA-N 0 0 434.879 5.634 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013098388 569309912 /nfs/dbraw/zinc/30/99/12/569309912.db2.gz YEOZCLKBPCHPIX-QHHAFSJGSA-N 0 0 427.213 5.245 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1C ZINC000013098790 569309925 /nfs/dbraw/zinc/30/99/25/569309925.db2.gz GYPMJCDXMJLOHO-UHFFFAOYSA-N 0 0 447.991 6.488 50 0 IKAARN Cc1csc(SCc2ccccc2C(=O)OCC(=O)c2cccc3ccccc32)n1 ZINC000013098566 569309926 /nfs/dbraw/zinc/30/99/26/569309926.db2.gz BMEGEAKKUZFJAE-UHFFFAOYSA-N 0 0 433.554 5.937 50 0 IKAARN O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1c[nH]c2ccccc21 ZINC000013098736 569309931 /nfs/dbraw/zinc/30/99/31/569309931.db2.gz HHYPJGGZJUVYHC-UHFFFAOYSA-N 0 0 427.485 5.122 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)COc3cc(C)c(Cl)cc3C(C)C)n2)cc1C ZINC000013102031 569310009 /nfs/dbraw/zinc/31/00/09/569310009.db2.gz OLKMLIBYBUNMNV-UHFFFAOYSA-N 0 0 443.012 6.838 50 0 IKAARN Cc1nc2ccc(NC(=O)c3oc4ccccc4c3CSC3CCCCC3)cc2s1 ZINC000013102593 569310132 /nfs/dbraw/zinc/31/01/32/569310132.db2.gz HBFCBIUANSSJJR-UHFFFAOYSA-N 0 0 436.602 7.169 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013108828 569310220 /nfs/dbraw/zinc/31/02/20/569310220.db2.gz HSHXDXDCZGHIRY-IBGZPJMESA-N 0 0 440.543 5.957 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccccc3-c3ccccc3)n2)cc1 ZINC000013112228 569310332 /nfs/dbraw/zinc/31/03/32/569310332.db2.gz PGTNOBRXRYSYEP-UHFFFAOYSA-N 0 0 443.528 5.453 50 0 IKAARN COc1cc(C)c(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)cc1OC ZINC000013112226 569310381 /nfs/dbraw/zinc/31/03/81/569310381.db2.gz WRRMWQWNNKIDRC-UHFFFAOYSA-N 0 0 435.549 5.341 50 0 IKAARN Cc1ccc(-n2nnnc2SCc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)cc1 ZINC000013109734 569310431 /nfs/dbraw/zinc/31/04/31/569310431.db2.gz DQHMDFLJJOEKEC-HXUWFJFHSA-N 0 0 440.525 5.071 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000013113389 569310690 /nfs/dbraw/zinc/31/06/90/569310690.db2.gz BQLJHKKNOYXEIV-UHFFFAOYSA-N 0 0 446.601 5.663 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc2c(c1)CCCC2 ZINC000013115121 569310710 /nfs/dbraw/zinc/31/07/10/569310710.db2.gz OICWMGRZGOIHPA-OAHLLOKOSA-N 0 0 432.549 5.066 50 0 IKAARN Cc1cc(-c2nnc(CSc3nc(C4CCCCC4)n(-c4ccccc4)n3)o2)c(C)o1 ZINC000013118054 569311031 /nfs/dbraw/zinc/31/10/31/569311031.db2.gz TXWJMFGBLMDIFL-UHFFFAOYSA-N 0 0 435.553 5.867 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3ccc(Br)s3)c(=O)c12 ZINC000013121431 569311131 /nfs/dbraw/zinc/31/11/31/569311131.db2.gz AAFONRWFBREWNG-UHFFFAOYSA-N 0 0 445.363 5.140 50 0 IKAARN C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cccc2ccccc21 ZINC000013126848 569311255 /nfs/dbraw/zinc/31/12/55/569311255.db2.gz VTXCYNJVNQMWTE-QGZVFWFLSA-N 0 0 428.561 5.267 50 0 IKAARN CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)s2)cc1 ZINC000013140382 569311669 /nfs/dbraw/zinc/31/16/69/569311669.db2.gz FWRCLWOKDRPECZ-MRXNPFEDSA-N 0 0 426.611 5.544 50 0 IKAARN CN(Cc1ccc(C(C)(C)C)cc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013140048 569311683 /nfs/dbraw/zinc/31/16/83/569311683.db2.gz ZIEVHIDFSZVYFJ-VWLOTQADSA-N 0 0 436.621 5.136 50 0 IKAARN O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013145385 569311729 /nfs/dbraw/zinc/31/17/29/569311729.db2.gz JECBSNUELAHIJD-UHFFFAOYSA-N 0 0 432.328 5.940 50 0 IKAARN CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 ZINC000013141098 569311736 /nfs/dbraw/zinc/31/17/36/569311736.db2.gz KIYHEQVZYTXQHN-JTQLQIEISA-N 0 0 427.382 5.453 50 0 IKAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013141777 569311746 /nfs/dbraw/zinc/31/17/46/569311746.db2.gz XPEPGKZQXJRMOV-UHFFFAOYSA-N 0 0 448.931 5.835 50 0 IKAARN Cc1sc2nc(SCc3nc4ccccc4s3)n(Cc3ccccc3)c(=O)c2c1C ZINC000013141814 569311772 /nfs/dbraw/zinc/31/17/72/569311772.db2.gz CGKWOKGEUQYYQB-UHFFFAOYSA-N 0 0 449.626 6.025 50 0 IKAARN COc1cccc(-c2nc(-c3ccc(-n4nncc4-c4ccc(Cl)cc4)cc3)cs2)c1 ZINC000013145710 569311860 /nfs/dbraw/zinc/31/18/60/569311860.db2.gz MNUPHSDQVUKMTA-UHFFFAOYSA-N 0 0 444.947 6.387 50 0 IKAARN CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000013147793 569312048 /nfs/dbraw/zinc/31/20/48/569312048.db2.gz PCSQKLVDZJSGPL-UHFFFAOYSA-N 0 0 437.383 6.586 50 0 IKAARN O=C(Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000013148158 569312069 /nfs/dbraw/zinc/31/20/69/569312069.db2.gz HVSZVNCKQKXBPQ-UHFFFAOYSA-N 0 0 447.774 6.977 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1C ZINC000013148908 569312166 /nfs/dbraw/zinc/31/21/66/569312166.db2.gz MSPMREPJZRDLKE-UHFFFAOYSA-N 0 0 435.307 5.233 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(Cl)c3Cl)c2n1 ZINC000013148800 569312181 /nfs/dbraw/zinc/31/21/81/569312181.db2.gz HDAPPUHEQMDNGS-UHFFFAOYSA-N 0 0 430.118 6.174 50 0 IKAARN Cc1ccc(-n2c(SCc3cc(-c4ccccc4)on3)nnc2-c2ccccc2)cc1C ZINC000013150443 569312257 /nfs/dbraw/zinc/31/22/57/569312257.db2.gz XPLKPRFIBXXLHQ-UHFFFAOYSA-N 0 0 438.556 6.498 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)Nc1cccc(F)c1 ZINC000013283347 569312592 /nfs/dbraw/zinc/31/25/92/569312592.db2.gz LREGHVGULWYYAS-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(F)c1 ZINC000013283357 569312594 /nfs/dbraw/zinc/31/25/94/569312594.db2.gz LAAIYPUETUGPTJ-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C ZINC000013284018 569312706 /nfs/dbraw/zinc/31/27/06/569312706.db2.gz MUBNWAQIRCBPFU-UHFFFAOYSA-N 0 0 439.890 5.892 50 0 IKAARN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013284035 569312718 /nfs/dbraw/zinc/31/27/18/569312718.db2.gz VZNLFSMHOXOQGX-UHFFFAOYSA-N 0 0 446.281 5.929 50 0 IKAARN Cc1ccc(N[P@]2(=O)C3=C(N4CCCCC4)CC(C)(C)CC3=NN2c2ccccc2)cc1 ZINC000013303000 569312806 /nfs/dbraw/zinc/31/28/06/569312806.db2.gz UAOKUYBEMUCFFA-JGCGQSQUSA-N 0 0 448.551 6.994 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002456611 569312912 /nfs/dbraw/zinc/31/29/12/569312912.db2.gz IBVQXZQYLQVJPQ-NRFANRHFSA-N 0 0 444.840 5.543 50 0 IKAARN O=C(Nc1ccc(Br)cc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000013348109 569313029 /nfs/dbraw/zinc/31/30/29/569313029.db2.gz APWNHLSRLAZNDZ-UHFFFAOYSA-N 0 0 435.325 5.755 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000013346838 569313052 /nfs/dbraw/zinc/31/30/52/569313052.db2.gz NMHOCSVTQLBGRS-UHFFFAOYSA-N 0 0 425.966 6.983 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000013346888 569313076 /nfs/dbraw/zinc/31/30/76/569313076.db2.gz AUWNINBMJBSKIY-UHFFFAOYSA-N 0 0 431.517 6.092 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc(OC)c1OC ZINC000013346925 569313080 /nfs/dbraw/zinc/31/30/80/569313080.db2.gz NRWGBUFCMFACKM-UHFFFAOYSA-N 0 0 449.532 5.942 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nc2ccccc21 ZINC000013348356 569313085 /nfs/dbraw/zinc/31/30/85/569313085.db2.gz DBBDKQSRSFBVMW-UHFFFAOYSA-N 0 0 428.492 5.214 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(Br)c1 ZINC000013346904 569313097 /nfs/dbraw/zinc/31/30/97/569313097.db2.gz OMAHDZCMVLOQIM-UHFFFAOYSA-N 0 0 438.350 6.678 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000013348417 569313098 /nfs/dbraw/zinc/31/30/98/569313098.db2.gz OIKZPLBNHQQMOM-UHFFFAOYSA-N 0 0 434.927 5.665 50 0 IKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1cccc(Br)c1 ZINC000013348105 569313103 /nfs/dbraw/zinc/31/31/03/569313103.db2.gz XDYUXTZVWHBUFM-UHFFFAOYSA-N 0 0 435.325 5.755 50 0 IKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)Nc1ccc(F)cc1F ZINC000013350123 569313134 /nfs/dbraw/zinc/31/31/34/569313134.db2.gz XHUTVCHACFWGCI-UHFFFAOYSA-N 0 0 438.459 5.951 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(-c3nnc(Cc4ccc(C)cc4)o3)cc2)cc1OC ZINC000013351233 569313270 /nfs/dbraw/zinc/31/32/70/569313270.db2.gz ADQWHXVDKPUPKY-UHFFFAOYSA-N 0 0 444.491 5.297 50 0 IKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1ccccc1Br ZINC000013351211 569313330 /nfs/dbraw/zinc/31/33/30/569313330.db2.gz REKBXMOQAWEWMM-UHFFFAOYSA-N 0 0 435.281 5.810 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000013353873 569313453 /nfs/dbraw/zinc/31/34/53/569313453.db2.gz ZRYLHSMFRAOZEL-UHFFFAOYSA-N 0 0 428.945 6.113 50 0 IKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c2)cs1 ZINC000013358043 569313768 /nfs/dbraw/zinc/31/37/68/569313768.db2.gz ZGQYFRNHJSUWPE-UHFFFAOYSA-N 0 0 437.384 5.299 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1C ZINC000013355130 569313571 /nfs/dbraw/zinc/31/35/71/569313571.db2.gz GMSHKLONLLDKHR-UHFFFAOYSA-N 0 0 434.561 5.007 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc32)cc1 ZINC000013355853 569313573 /nfs/dbraw/zinc/31/35/73/569313573.db2.gz ZOMJIAUISVKWLM-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4cccc(C)c4C)cc32)cc1 ZINC000013355857 569313579 /nfs/dbraw/zinc/31/35/79/569313579.db2.gz JIPILLNMAFJKBK-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3ncccc3-n3c(C)ccc3C)cc2)cc1OC ZINC000013356310 569313661 /nfs/dbraw/zinc/31/36/61/569313661.db2.gz DEGXLULCCGSIDH-UHFFFAOYSA-N 0 0 427.504 5.426 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)cc1OC ZINC000013358342 569313761 /nfs/dbraw/zinc/31/37/61/569313761.db2.gz HAPBQMQUPDDDIO-UHFFFAOYSA-N 0 0 434.427 5.204 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000013359715 569313827 /nfs/dbraw/zinc/31/38/27/569313827.db2.gz FGUJKCJVAJNTRI-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN Cc1ccc(-c2coc(-c3cccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)n2)cc1 ZINC000013359152 569313885 /nfs/dbraw/zinc/31/38/85/569313885.db2.gz IQZLXOQTMPZJCU-UHFFFAOYSA-N 0 0 446.572 6.415 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4ccc(C)c(C)c4)ccc32)cc1 ZINC000013359591 569313926 /nfs/dbraw/zinc/31/39/26/569313926.db2.gz SKVDTLRPYFDGNB-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360676 569313977 /nfs/dbraw/zinc/31/39/77/569313977.db2.gz JKVINYLUIRYUPM-UHFFFAOYSA-N 0 0 432.545 5.989 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Cc4cccc(F)c4)cc3)c(=O)[nH]c2cc1C ZINC000013360956 569314015 /nfs/dbraw/zinc/31/40/15/569314015.db2.gz SIFMBZZPWHXPIT-UHFFFAOYSA-N 0 0 447.535 5.153 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Cc4ccc(F)cc4)cc3)c(=O)[nH]c2cc1C ZINC000013360959 569314023 /nfs/dbraw/zinc/31/40/23/569314023.db2.gz NCVYXYPGFIXZBA-UHFFFAOYSA-N 0 0 447.535 5.153 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360700 569314035 /nfs/dbraw/zinc/31/40/35/569314035.db2.gz ZOWQALVPJDBSKG-UHFFFAOYSA-N 0 0 446.572 6.379 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc(SCc3nc4ccccc4nc3C)cc2)c1 ZINC000013365415 569314263 /nfs/dbraw/zinc/31/42/63/569314263.db2.gz VITIMDYDOXUQAV-UHFFFAOYSA-N 0 0 430.533 5.883 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000013367072 569314345 /nfs/dbraw/zinc/31/43/45/569314345.db2.gz OYZYLIMKJHIALM-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000013366353 569314346 /nfs/dbraw/zinc/31/43/46/569314346.db2.gz PZXJQNZYDNDFGV-DEOSSOPVSA-N 0 0 430.573 5.200 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013369186 569314676 /nfs/dbraw/zinc/31/46/76/569314676.db2.gz BLHGXLQHAWBNKP-MRXNPFEDSA-N 0 0 447.922 5.733 50 0 IKAARN COC(=O)c1ccccc1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369172 569314677 /nfs/dbraw/zinc/31/46/77/569314677.db2.gz IVQPWGFKBAOXDZ-HNNXBMFYSA-N 0 0 433.895 5.343 50 0 IKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1c(F)c(F)cc(F)c1F ZINC000013369065 569314717 /nfs/dbraw/zinc/31/47/17/569314717.db2.gz QKSONQXHHSZFCF-UHFFFAOYSA-N 0 0 433.792 5.552 50 0 IKAARN COc1ccc(OC)c(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013369192 569314766 /nfs/dbraw/zinc/31/47/66/569314766.db2.gz OHLINVMORSSHQD-HNNXBMFYSA-N 0 0 435.911 5.574 50 0 IKAARN Cc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)c2ccco2)cc1 ZINC000013369883 569314822 /nfs/dbraw/zinc/31/48/22/569314822.db2.gz PGGFWCCJOOMRJS-RTWAWAEBSA-N 0 0 430.552 5.725 50 0 biogenic IKAARN CC[C@@H](C(=O)NC[C@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369401 569314827 /nfs/dbraw/zinc/31/48/27/569314827.db2.gz BROOFPXSUTYWNK-MBSDFSHPSA-N 0 0 431.967 6.228 50 0 IKAARN CC(C)C(=O)N1c2nc(-c3ccc(Cl)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369898 569314830 /nfs/dbraw/zinc/31/48/30/569314830.db2.gz WXIALGXTPMCNDK-UXHICEINSA-N 0 0 426.992 5.819 50 0 biogenic IKAARN CC[C@H](C(=O)NC[C@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369403 569314837 /nfs/dbraw/zinc/31/48/37/569314837.db2.gz BROOFPXSUTYWNK-FDDCHVKYSA-N 0 0 431.967 6.228 50 0 IKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000013370043 569314838 /nfs/dbraw/zinc/31/48/38/569314838.db2.gz QIQSXIZDAQLLCB-UXHICEINSA-N 0 0 426.992 5.763 50 0 biogenic IKAARN O=C(c1ccccc1)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369839 569314846 /nfs/dbraw/zinc/31/48/46/569314846.db2.gz NAQKQUMGTPKIII-PKTZIBPZSA-N 0 0 426.564 5.824 50 0 biogenic IKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1Cl ZINC000013370047 569314873 /nfs/dbraw/zinc/31/48/73/569314873.db2.gz IEOCWUYNKGTNJO-QUCCMNQESA-N 0 0 426.992 5.763 50 0 biogenic IKAARN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369220 569314880 /nfs/dbraw/zinc/31/48/80/569314880.db2.gz PGQLHFSXXHVBJF-RBUKOAKNSA-N 0 0 431.967 6.055 50 0 IKAARN O=C(c1ccccc1)N1c2nc(-c3cccnc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370125 569314891 /nfs/dbraw/zinc/31/48/91/569314891.db2.gz IKSHWYJKDLEDOY-YADHBBJMSA-N 0 0 427.552 5.219 50 0 biogenic IKAARN COc1cccc(NC(=O)N2[C@@H](c3cccs3)[C@H](C)C(=O)[C@H](C)[C@H]2c2cccs2)c1 ZINC000013370193 569314913 /nfs/dbraw/zinc/31/49/13/569314913.db2.gz YPZGRHFKXYNVFB-ZFJWPNLUSA-N 0 0 440.590 5.990 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccs2)N(C(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000013370207 569314921 /nfs/dbraw/zinc/31/49/21/569314921.db2.gz BRVAMTLKFHPGSN-GOFCXKROSA-N 0 0 428.554 6.120 50 0 IKAARN Cc1ccc([C@H]2[C@H](C)C(=O)[C@H](C)[C@@H](c3ccc(C)s3)N2C(=O)NC2CCCCC2)s1 ZINC000013370224 569314985 /nfs/dbraw/zinc/31/49/85/569314985.db2.gz VPYWMNPEOGWXKQ-UWSKWSKGSA-N 0 0 444.666 6.408 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](c3nc(Cc4cccnc4)no3)[C@@H]2c2cccs2)cc1 ZINC000328590501 569316854 /nfs/dbraw/zinc/31/68/54/569316854.db2.gz QSXGHVAJSHVUSP-WMZHIEFXSA-N 0 0 430.533 5.077 50 0 IKAARN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000328591899 569317045 /nfs/dbraw/zinc/31/70/45/569317045.db2.gz QHJZQDIWSPAKEE-UHFFFAOYSA-N 0 0 430.577 5.014 50 0 IKAARN CC(=O)N(c1nc(CN2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)cs1)C1CC1 ZINC000328595552 569317731 /nfs/dbraw/zinc/31/77/31/569317731.db2.gz XYTGFUCMZUPUTA-LBPRGKRZSA-N 0 0 441.544 5.568 50 0 IKAARN C[C@@H]1CN(CC2(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596146 569317882 /nfs/dbraw/zinc/31/78/82/569317882.db2.gz VBNMDIBAJVSUIU-YDLSIGKMSA-N 0 0 446.682 5.204 50 0 IKAARN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 ZINC000328597653 569318153 /nfs/dbraw/zinc/31/81/53/569318153.db2.gz IMGGMZZCKDWINN-SFHVURJKSA-N 0 0 445.585 5.103 50 0 IKAARN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O ZINC000019318960 569318260 /nfs/dbraw/zinc/31/82/60/569318260.db2.gz YTEZPFUJIPPOPH-UHFFFAOYSA-N 0 0 441.619 5.187 50 0 biogenic IKAARN Cc1cccc(CN2CCCN(Cc3ccccc3Cl)[C@@H]2c2ccccc2Cl)c1 ZINC000019326692 569318276 /nfs/dbraw/zinc/31/82/76/569318276.db2.gz APECGSJFTLLVBI-RUZDIDTESA-N 0 0 425.403 6.709 50 0 IKAARN Cc1cccc(CN2CCN(Cc3ccccc3F)[C@@H]2c2c(Cl)cccc2Cl)c1 ZINC000019330491 569318461 /nfs/dbraw/zinc/31/84/61/569318461.db2.gz NKKXQZWTQUIITK-XMMPIXPASA-N 0 0 429.366 6.458 50 0 IKAARN Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 ZINC000019330543 569318471 /nfs/dbraw/zinc/31/84/71/569318471.db2.gz FVJGOKWGIRQZJU-DEOSSOPVSA-N 0 0 429.366 6.539 50 0 IKAARN Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2Cl)c1 ZINC000019330540 569318472 /nfs/dbraw/zinc/31/84/72/569318472.db2.gz VZBZBBBEIOIRPQ-VWLOTQADSA-N 0 0 426.938 6.333 50 0 IKAARN COc1ccc(OC)c([C@@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)c1 ZINC000019330529 569318494 /nfs/dbraw/zinc/31/84/94/569318494.db2.gz CGLYYDUNJZIQQK-HHHXNRCGSA-N 0 0 434.555 5.558 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)[C@H]3CCS(=O)(=O)C3)cc2F)cc1 ZINC000078813278 569319182 /nfs/dbraw/zinc/31/91/82/569319182.db2.gz KPTDNNPDPLQCSN-LPHOPBHVSA-N 0 0 449.613 5.054 50 0 IKAARN Cc1sc(CNC(=O)c2ccccc2NCc2cccnc2)nc1-c1ccc(Cl)cc1 ZINC000078995587 569321722 /nfs/dbraw/zinc/32/17/22/569321722.db2.gz DKKWIKZORZJQLY-UHFFFAOYSA-N 0 0 448.979 5.709 50 0 IKAARN CC[C@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@@H](CC)c2ccccc2)C1)c1ccccc1 ZINC000079022857 569322482 /nfs/dbraw/zinc/32/24/82/569322482.db2.gz MCDFXZLRMOZUSM-RBZQAINGSA-N 0 0 434.624 5.509 50 0 IKAARN CC[C@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@H](CC)c2ccccc2)C1)c1ccccc1 ZINC000079022865 569322539 /nfs/dbraw/zinc/32/25/39/569322539.db2.gz MCDFXZLRMOZUSM-VXNXHJTFSA-N 0 0 434.624 5.509 50 0 IKAARN Cn1c(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)nnc1-c1cccs1 ZINC000079024295 569322708 /nfs/dbraw/zinc/32/27/08/569322708.db2.gz OQIWSVKDIMLSHE-GOSISDBHSA-N 0 0 431.546 5.475 50 0 IKAARN Cc1nccn1-c1ccc([C@H](C)NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 ZINC000079045103 569323056 /nfs/dbraw/zinc/32/30/56/569323056.db2.gz ZQRZVUIDNIPUNT-FZXOMJPYSA-N 0 0 438.531 5.045 50 0 IKAARN CCOc1ccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(=O)CC)c(Cl)nc2c1 ZINC000079047183 569323185 /nfs/dbraw/zinc/32/31/85/569323185.db2.gz CWFAMURIWMCQIM-OAQYLSRUSA-N 0 0 425.891 5.514 50 0 IKAARN CC(C)(C)c1cc([C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000019618437 569323236 /nfs/dbraw/zinc/32/32/36/569323236.db2.gz MAHGPLUSDJLYCO-HSZRJFAPSA-N 0 0 425.569 5.138 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000079049124 569323267 /nfs/dbraw/zinc/32/32/67/569323267.db2.gz XWHFOXVNZKSATL-SFHVURJKSA-N 0 0 431.367 5.111 50 0 IKAARN O[C@H](CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1)c1ccco1 ZINC000079053387 569323469 /nfs/dbraw/zinc/32/34/69/569323469.db2.gz WZFZVNKSABYYQY-LJQANCHMSA-N 0 0 443.425 5.084 50 0 IKAARN CCN1C(=O)COc2ccc(-c3nc(NC(=O)CCC4CCCCC4)sc3C)cc21 ZINC000019796513 569329537 /nfs/dbraw/zinc/32/95/37/569329537.db2.gz YAHQGJXOKJGXAS-UHFFFAOYSA-N 0 0 427.570 5.163 50 0 IKAARN Cc1cc(OCC(=O)Nc2cccc(N3CCn4c5ccccc5nc4C3)c2)ccc1Cl ZINC000019855298 569330492 /nfs/dbraw/zinc/33/04/92/569330492.db2.gz SYQCWPQSGSZHLA-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc32)cc1 ZINC000019863742 569330708 /nfs/dbraw/zinc/33/07/08/569330708.db2.gz PINIYBVNDTUJRF-UHFFFAOYSA-N 0 0 438.955 5.237 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@](C)(CC)OC3 ZINC000020035356 569332565 /nfs/dbraw/zinc/33/25/65/569332565.db2.gz NOTWTMMPPLQSDD-HSZRJFAPSA-N 0 0 428.623 5.889 50 0 IKAARN C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)C[C@@H]1C ZINC000020034740 569332583 /nfs/dbraw/zinc/33/25/83/569332583.db2.gz QBAUIECIDKYOAY-OWCHPLDXSA-N 0 0 444.641 5.698 50 0 IKAARN O=C1N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1F ZINC000020036278 569332765 /nfs/dbraw/zinc/33/27/65/569332765.db2.gz WMPFVQNPDFJQJY-YDZHTSKRSA-N 0 0 443.453 5.061 50 0 IKAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)c2ccc(C)cc2)cc1 ZINC000020059958 569333009 /nfs/dbraw/zinc/33/30/09/569333009.db2.gz MJUFYPHFLCOHOE-UHFFFAOYSA-N 0 0 432.911 5.216 50 0 IKAARN Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccccc3)c(COc3ccccc3)nn21 ZINC000020069305 569333143 /nfs/dbraw/zinc/33/31/43/569333143.db2.gz RBWBJGIWSMXGHC-UHFFFAOYSA-N 0 0 426.907 5.878 50 0 IKAARN CCOC(=O)C1=C(N)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000020065165 569333178 /nfs/dbraw/zinc/33/31/78/569333178.db2.gz NKPVUUAYPKTESU-ILBGXUMGSA-N 0 0 441.531 5.183 50 0 IKAARN O=C(CSc1nc2ccccc2nc1N1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000020069466 569333197 /nfs/dbraw/zinc/33/31/97/569333197.db2.gz OIENZTNQNLBSGJ-UHFFFAOYSA-N 0 0 446.498 5.370 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)cc1Cl ZINC000020069468 569333205 /nfs/dbraw/zinc/33/32/05/569333205.db2.gz LDDXIANCWRTGOV-UHFFFAOYSA-N 0 0 441.000 5.559 50 0 IKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C(F)(F)F)cc1 ZINC000020103785 569334130 /nfs/dbraw/zinc/33/41/30/569334130.db2.gz MTZNCFCUJXVBSG-UHFFFAOYSA-N 0 0 428.332 6.193 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)nc1c(c2-n2ccnc2)CCCC1 ZINC000020105158 569334214 /nfs/dbraw/zinc/33/42/14/569334214.db2.gz UIQLWLXUYNREOE-UHFFFAOYSA-N 0 0 436.437 5.570 50 0 IKAARN CCOC(=O)CN(Cc1ccccc1)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000020108153 569334397 /nfs/dbraw/zinc/33/43/97/569334397.db2.gz XPEMHVPIUIUPME-HHHXNRCGSA-N 0 0 444.575 5.555 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)N(Cc2cccnc2)Cc2ccccc2Cl)c1 ZINC000020107887 569334423 /nfs/dbraw/zinc/33/44/23/569334423.db2.gz SNKLTZIIWRBCRA-UHFFFAOYSA-N 0 0 435.902 6.153 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C(F)(F)F)[C@H]1c1cccs1 ZINC000020115886 569334963 /nfs/dbraw/zinc/33/49/63/569334963.db2.gz OJHKHFCUWDZDBG-RBUKOAKNSA-N 0 0 430.451 5.316 50 0 IKAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)NC1CCCCCCC1 ZINC000020115764 569334996 /nfs/dbraw/zinc/33/49/96/569334996.db2.gz QQJDGBVBGBDUQF-UHFFFAOYSA-N 0 0 446.613 5.149 50 0 IKAARN Clc1ccc(-c2csc(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)n2)cc1 ZINC000020135411 569335684 /nfs/dbraw/zinc/33/56/84/569335684.db2.gz QLGKAZJTCYDIJM-UHFFFAOYSA-N 0 0 430.985 7.921 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](CC(C)C)n2ncc(C(=O)Nc3ccccc3)c2N1 ZINC000020134926 569335690 /nfs/dbraw/zinc/33/56/90/569335690.db2.gz GTJXUIQSOAWPDD-OAQYLSRUSA-N 0 0 429.524 5.061 50 0 IKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N(C)C3CCCCC3)cc12 ZINC000020137907 569335806 /nfs/dbraw/zinc/33/58/06/569335806.db2.gz GVJFMDOLIZGUQI-UHFFFAOYSA-N 0 0 436.600 5.043 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020138871 569336133 /nfs/dbraw/zinc/33/61/33/569336133.db2.gz WGHSAKDZQLUQQS-VXKWHMMOSA-N 0 0 436.433 5.181 50 0 IKAARN CC(C)(C)C1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(Cl)cc1 ZINC000020152182 569336587 /nfs/dbraw/zinc/33/65/87/569336587.db2.gz CVNKNJOBYFBEQP-UHFFFAOYSA-N 0 0 439.024 6.545 50 0 IKAARN CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=S)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000020152324 569336604 /nfs/dbraw/zinc/33/66/04/569336604.db2.gz SBWYKWIKMSOTLG-UHFFFAOYSA-N 0 0 446.186 6.309 50 0 IKAARN COc1cc(OC)cc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)c1 ZINC000020152237 569336641 /nfs/dbraw/zinc/33/66/41/569336641.db2.gz YMRWUOCKGPDMHI-UHFFFAOYSA-N 0 0 440.540 5.166 50 0 IKAARN CN1C(=O)/C(=C\c2ccccc2)Sc2ccc(C(=O)NCc3ccccc3Cl)cc21 ZINC000020179547 569354764 /nfs/dbraw/zinc/35/47/64/569354764.db2.gz VZLOBUZWTSACDQ-LPYMAVHISA-N 0 0 434.948 5.380 50 0 IKAARN Cc1ccc(/C=C2\Sc3ccc(C(=O)NCc4ccc(C)cc4)cc3N(C)C2=O)cc1 ZINC000020179573 569354770 /nfs/dbraw/zinc/35/47/70/569354770.db2.gz LLEZGMUAIXMIQB-OYKKKHCWSA-N 0 0 428.557 5.343 50 0 IKAARN Cc1ccc(CCNC(=O)/C=C2\Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000020179172 569354775 /nfs/dbraw/zinc/35/47/75/569354775.db2.gz TWSUAXZLDSGWED-UQQQWYQISA-N 0 0 442.584 5.185 50 0 IKAARN Cc1ccccc1CN1c2ccccc2S/C(=C\C(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000020179170 569354824 /nfs/dbraw/zinc/35/48/24/569354824.db2.gz VPKMXPWVHPCHGI-UZXDDYOISA-N 0 0 428.557 5.395 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000020179305 569354839 /nfs/dbraw/zinc/35/48/39/569354839.db2.gz ZGYXAUKHMALIQE-NAHYFOQLSA-N 0 0 444.506 5.321 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000020179850 569354875 /nfs/dbraw/zinc/35/48/75/569354875.db2.gz SQHDUONETNGAAL-QIUQKMPBSA-N 0 0 440.996 5.758 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccccc4Cl)cc3N(C)C2=O)c1 ZINC000020180021 569354884 /nfs/dbraw/zinc/35/48/84/569354884.db2.gz SZJADJDYOHVKDU-YDZHTSKRSA-N 0 0 448.975 5.688 50 0 IKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3N(C)C2=O)c1 ZINC000020180023 569354912 /nfs/dbraw/zinc/35/49/12/569354912.db2.gz WMRUKZFNOJGRFO-QRVIBDJDSA-N 0 0 448.975 5.688 50 0 IKAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N[C@H]4CCCC[C@H]4C)cc3N(C)C2=O)cc1 ZINC000020179631 569354939 /nfs/dbraw/zinc/35/49/39/569354939.db2.gz CUOSPRWHUSJLLD-SNDVWAGDSA-N 0 0 436.577 5.113 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000020179856 569354975 /nfs/dbraw/zinc/35/49/75/569354975.db2.gz SQHDUONETNGAAL-RYTXQPBMSA-N 0 0 440.996 5.758 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)cc1 ZINC000020180331 569354996 /nfs/dbraw/zinc/35/49/96/569354996.db2.gz YVOWHDIQBCOARP-UCQKPKSFSA-N 0 0 448.975 5.688 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2C)S3)cc1 ZINC000020180109 569355012 /nfs/dbraw/zinc/35/50/12/569355012.db2.gz MREHLWPGMWAHCS-IWIPYMOSSA-N 0 0 428.557 5.343 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Oc3ccccc32)[C@@H]1C ZINC000020180785 569355116 /nfs/dbraw/zinc/35/51/16/569355116.db2.gz ZWMDEIZTIUGOQB-BKJZBVKSSA-N 0 0 438.955 5.047 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)S2 ZINC000020180499 569355119 /nfs/dbraw/zinc/35/51/19/569355119.db2.gz SZQDGNFTCWLRKX-LPXFMOJISA-N 0 0 434.483 5.343 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181039 569355211 /nfs/dbraw/zinc/35/52/11/569355211.db2.gz HFNVOTMVWFZCSF-INJKSQGZSA-N 0 0 440.996 5.515 50 0 IKAARN C[C@H](NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)c1ccccc1 ZINC000020181023 569355215 /nfs/dbraw/zinc/35/52/15/569355215.db2.gz ATZNEQXIZXTMEP-BDFKGGEMSA-N 0 0 448.975 5.697 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccccc2N(CC(=O)N[C@H](C)c2ccccc2)C1=O ZINC000020181417 569355308 /nfs/dbraw/zinc/35/53/08/569355308.db2.gz FSTPEQATPYVPTL-VKINRBECSA-N 0 0 428.557 5.352 50 0 IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000020181624 569355387 /nfs/dbraw/zinc/35/53/87/569355387.db2.gz YNZUHQZVVOGLKQ-QRTVHMNXSA-N 0 0 434.605 5.424 50 0 IKAARN CCc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 ZINC000020182363 569355488 /nfs/dbraw/zinc/35/54/88/569355488.db2.gz XRISIXGTAYVFRB-UHFFFAOYSA-N 0 0 434.590 5.802 50 0 IKAARN O=C(CSc1nc(-c2cccc(Cl)c2)[nH]c1-c1ccccc1)Nc1nccs1 ZINC000020182356 569355504 /nfs/dbraw/zinc/35/55/04/569355504.db2.gz KWNDAROARUZOKV-UHFFFAOYSA-N 0 0 426.954 5.584 50 0 IKAARN CCOc1ccccc1NC(=S)N(Cc1cn(CC)c2ccccc12)C1CCCCC1 ZINC000020212699 569356275 /nfs/dbraw/zinc/35/62/75/569356275.db2.gz LZQUGFUSMWOZCH-UHFFFAOYSA-N 0 0 435.637 6.592 50 0 IKAARN CCOc1ccccc1NC(=S)N(Cc1cn(CC)c2ccccc12)C1CCCCCC1 ZINC000020212703 569356329 /nfs/dbraw/zinc/35/63/29/569356329.db2.gz OQIFJCILTAWSEP-UHFFFAOYSA-N 0 0 449.664 6.982 50 0 IKAARN CCOc1ccc(NC(=S)N(Cc2cn(CC)c3ccccc23)C2CCCCC2)cc1 ZINC000020212726 569356331 /nfs/dbraw/zinc/35/63/31/569356331.db2.gz ASEPPIRXQGIXTB-UHFFFAOYSA-N 0 0 435.637 6.592 50 0 IKAARN Cn1cc(CN(C(=S)Nc2cc(Cl)cc(Cl)c2)C2CCCCC2)c2ccccc21 ZINC000020212581 569356368 /nfs/dbraw/zinc/35/63/68/569356368.db2.gz FKZLBLVWQOUBBW-UHFFFAOYSA-N 0 0 446.447 7.017 50 0 IKAARN COc1cccc(-c2nn(C)c3sc(C(=O)NCC4(c5ccccc5)CCCC4)cc23)c1 ZINC000020233467 569357134 /nfs/dbraw/zinc/35/71/34/569357134.db2.gz SGAWOWWVODUUKG-UHFFFAOYSA-N 0 0 445.588 5.552 50 0 IKAARN Cn1c(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc2c2ccc(Cl)cc21 ZINC000020237739 569357469 /nfs/dbraw/zinc/35/74/69/569357469.db2.gz LYVMOELVTAQIRA-UHFFFAOYSA-N 0 0 436.842 5.678 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c12 ZINC000020283506 569358918 /nfs/dbraw/zinc/35/89/18/569358918.db2.gz QAUSKYYHVKPCNR-UHFFFAOYSA-N 0 0 425.319 5.905 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCc3ccccc3Cl)c12 ZINC000020283801 569358990 /nfs/dbraw/zinc/35/89/90/569358990.db2.gz LVYWOZPPYZAUOC-UHFFFAOYSA-N 0 0 425.319 5.274 50 0 IKAARN O=C(c1cc2c(s1)c1ccccc1nc2Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000020286110 569359031 /nfs/dbraw/zinc/35/90/31/569359031.db2.gz IGXBZYGCHPCDQU-UHFFFAOYSA-N 0 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ZINC000020286863 569359191 /nfs/dbraw/zinc/35/91/91/569359191.db2.gz DSFAPVQMTZSFOP-UHFFFAOYSA-N 0 0 447.922 6.073 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl)c1cc(Cl)ccc1OC ZINC000020321367 569360164 /nfs/dbraw/zinc/36/01/64/569360164.db2.gz RQNILPVVLPRHSM-UHFFFAOYSA-N 0 0 445.371 6.740 50 0 IKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N(C)c4cccc(C(F)(F)F)c4)sc3c2c1 ZINC000020321349 569360219 /nfs/dbraw/zinc/36/02/19/569360219.db2.gz FQKBNPNNMVNKJR-UHFFFAOYSA-N 0 0 434.870 6.707 50 0 IKAARN O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000020321141 569360269 /nfs/dbraw/zinc/36/02/69/569360269.db2.gz SMUXVZYEIGSCMC-UHFFFAOYSA-N 0 0 446.454 5.011 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(C4CCCCC4)cc3)n2)cc1 ZINC000020330795 569360990 /nfs/dbraw/zinc/36/09/90/569360990.db2.gz NSGXFMMUSYVSEO-UHFFFAOYSA-N 0 0 437.609 5.715 50 0 IKAARN Cc1cccc(Cn2c3c4ccccc4sc3c(=O)n(-c3cc(Cl)ccc3C)c2=O)c1 ZINC000020354874 569361108 /nfs/dbraw/zinc/36/11/08/569361108.db2.gz DPBNHKDWCWDXDL-UHFFFAOYSA-N 0 0 446.959 5.686 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3NC2=O)cc1 ZINC000020355272 569361274 /nfs/dbraw/zinc/36/12/74/569361274.db2.gz IDHDCURQEIFNAG-OEAKJJBVSA-N 0 0 448.975 5.706 50 0 IKAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NC(C)C)cc3)C2=O)c1 ZINC000020355241 569361312 /nfs/dbraw/zinc/36/13/12/569361312.db2.gz YOLXZPFCWVIJNK-PCLIKHOPSA-N 0 0 426.516 5.100 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccccc4Cl)cc3NC2=O)cc1 ZINC000020355358 569361343 /nfs/dbraw/zinc/36/13/43/569361343.db2.gz LPRKEFXLWKIWJB-WSDLNYQXSA-N 0 0 434.948 5.664 50 0 IKAARN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000020355355 569361401 /nfs/dbraw/zinc/36/14/01/569361401.db2.gz UNEDIDFUPVVFRD-LWROZRRASA-N 0 0 442.584 5.831 50 0 IKAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)cc1 ZINC000020355617 569361423 /nfs/dbraw/zinc/36/14/23/569361423.db2.gz BNBDDFAZCVUXEP-NTKDMRAZSA-N 0 0 438.531 5.018 50 0 IKAARN CCCn1c(C)cc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)c1C ZINC000095349536 569361804 /nfs/dbraw/zinc/36/18/04/569361804.db2.gz IPQPPDRMLKGZOT-UHFFFAOYSA-N 0 0 436.375 5.863 50 0 IKAARN O=[S@@](CCSc1nnc2sc3ccccc3n12)c1cc(Cl)ccc1Cl ZINC000095357395 569362216 /nfs/dbraw/zinc/36/22/16/569362216.db2.gz FURCZASSDFJYNB-RUZDIDTESA-N 0 0 428.391 5.151 50 0 IKAARN CCCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)c1ccc(Cl)c(Cl)c1 ZINC000020380062 569362518 /nfs/dbraw/zinc/36/25/18/569362518.db2.gz BRDCQTTZFPWGDG-UHFFFAOYSA-N 0 0 430.335 5.501 50 0 IKAARN Cc1ccc(CNc2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020382458 569362625 /nfs/dbraw/zinc/36/26/25/569362625.db2.gz QPPPFAOPBQLZPB-UHFFFAOYSA-N 0 0 440.927 5.781 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1 ZINC000020382382 569362668 /nfs/dbraw/zinc/36/26/68/569362668.db2.gz WVEHBHISLMRUFS-UHFFFAOYSA-N 0 0 438.936 5.342 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc32)cc1 ZINC000020385666 569362964 /nfs/dbraw/zinc/36/29/64/569362964.db2.gz WEZPAEFRKPWXKF-UHFFFAOYSA-N 0 0 431.561 5.895 50 0 IKAARN CCc1ccccc1NC(=O)Nc1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CS2 ZINC000020385601 569363032 /nfs/dbraw/zinc/36/30/32/569363032.db2.gz BVXWUYJHTXVWGE-UHFFFAOYSA-N 0 0 431.561 5.840 50 0 IKAARN C[C@@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020386539 569363132 /nfs/dbraw/zinc/36/31/32/569363132.db2.gz USEVJXUDAHBZHA-KHIBUBOWSA-N 0 0 430.342 5.150 50 0 IKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020386961 569363179 /nfs/dbraw/zinc/36/31/79/569363179.db2.gz LTTLICYLDIHHSC-RBTNQOKQSA-N 0 0 432.608 5.304 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1[C@@H]1CCCc2ccccc21 ZINC000020387398 569363220 /nfs/dbraw/zinc/36/32/20/569363220.db2.gz QPSKOJUHFZTYQF-LEAFIULHSA-N 0 0 430.592 5.360 50 0 IKAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000095385628 569363221 /nfs/dbraw/zinc/36/32/21/569363221.db2.gz HQRGVXJEBXMEEN-HXOBKFHXSA-N 0 0 431.561 5.678 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1[C@@H]1CCCc2ccccc21 ZINC000020387392 569363240 /nfs/dbraw/zinc/36/32/40/569363240.db2.gz QPSKOJUHFZTYQF-NAKRPHOHSA-N 0 0 430.592 5.360 50 0 IKAARN O=C(NCc1ccnc(-n2ccnc2)c1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000095381658 569363248 /nfs/dbraw/zinc/36/32/48/569363248.db2.gz FNPGLDLRJXPSGJ-UHFFFAOYSA-N 0 0 436.846 5.084 50 0 IKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1ccc(F)cc1Cl)CCCC3 ZINC000020387606 569363253 /nfs/dbraw/zinc/36/32/53/569363253.db2.gz VWZAFTKKMBLTBY-UHFFFAOYSA-N 0 0 448.947 5.558 50 0 IKAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)n23)cc1 ZINC000020394126 569363414 /nfs/dbraw/zinc/36/34/14/569363414.db2.gz ICJBGRHQTALOBA-UHFFFAOYSA-N 0 0 429.423 5.003 50 0 IKAARN C1CC1c1nc2sc3c(c2c(N2CCCC[C@H]2c2nnc4n2CCCC4)n1)CCCC3 ZINC000095393716 569363539 /nfs/dbraw/zinc/36/35/39/569363539.db2.gz PIGKIRVLGDZJPZ-KRWDZBQOSA-N 0 0 434.613 5.107 50 0 IKAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000020413713 569364145 /nfs/dbraw/zinc/36/41/45/569364145.db2.gz HKUJLWXIGSTLNF-OMOCWEPOSA-N 0 0 439.621 5.372 50 0 IKAARN COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(/C=C/c4ccccc4)cc1)N(C)CC3)OCO2 ZINC000020412092 569364153 /nfs/dbraw/zinc/36/41/53/569364153.db2.gz VLOBZNQQGKVOCU-UPWIVDSGSA-N 0 0 441.527 5.396 50 0 biogenic IKAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000020413693 569364168 /nfs/dbraw/zinc/36/41/68/569364168.db2.gz HKUJLWXIGSTLNF-MDZFBMSASA-N 0 0 439.621 5.372 50 0 IKAARN CCc1cccc(C)c1NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415087 569364335 /nfs/dbraw/zinc/36/43/35/569364335.db2.gz KIAGPHOCKFKGMK-UHFFFAOYSA-N 0 0 448.567 5.710 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc3ccncc3n2Cc2ccccc2Cl)c1 ZINC000020415480 569364439 /nfs/dbraw/zinc/36/44/39/569364439.db2.gz RHJCICTZLFSTPH-UHFFFAOYSA-N 0 0 433.886 6.444 50 0 IKAARN Cc1c(C(=O)NCc2ccco2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417981 569365134 /nfs/dbraw/zinc/36/51/34/569365134.db2.gz OYYFBUUGUJHATI-RUZDIDTESA-N 0 0 449.890 5.798 50 0 IKAARN O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCN(Cc2ccccc2)CC1 ZINC000020436377 569365475 /nfs/dbraw/zinc/36/54/75/569365475.db2.gz VTTOUVKGJALTRQ-UHFFFAOYSA-N 0 0 441.021 5.632 50 0 IKAARN COc1ccccc1-c1nn(CCC(=O)NCc2ccc(Cl)cc2)c2nc(C)cc(C)c12 ZINC000020437546 569365574 /nfs/dbraw/zinc/36/55/74/569365574.db2.gz GFPYFLXQTIKZCT-UHFFFAOYSA-N 0 0 448.954 5.084 50 0 IKAARN CCCS(=O)(=O)Nc1cccc(NCc2cccc(NC(=O)OC(C)(C)C)c2)c1C ZINC000095445295 569367173 /nfs/dbraw/zinc/36/71/73/569367173.db2.gz CJHNJKQRMGZFAX-UHFFFAOYSA-N 0 0 433.574 5.106 50 0 IKAARN Cc1c(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cnn1-c1ccccn1 ZINC000095447571 569367486 /nfs/dbraw/zinc/36/74/86/569367486.db2.gz MQTYDDLOIUGHDL-UHFFFAOYSA-N 0 0 445.228 5.076 50 0 IKAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Br)c1CO ZINC000095451240 569367748 /nfs/dbraw/zinc/36/77/48/569367748.db2.gz VAIFQIMVTORBJA-HNNXBMFYSA-N 0 0 426.310 5.014 50 0 IKAARN Cc1ccccc1Cc1nnc(CN(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)o1 ZINC000095455991 569368729 /nfs/dbraw/zinc/36/87/29/569368729.db2.gz XKOBCKINDDEJTQ-FQEVSTJZSA-N 0 0 437.547 5.501 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000095465140 569370670 /nfs/dbraw/zinc/37/06/70/569370670.db2.gz FFCKGSXQSWBTLQ-PNHOKKKMSA-N 0 0 438.959 5.326 50 0 IKAARN Cc1occc1-c1nnc(SCCOC(=O)Nc2ccccc2)n1Cc1ccccc1 ZINC000095468095 569371195 /nfs/dbraw/zinc/37/11/95/569371195.db2.gz BGTVSEIIFIRVIZ-UHFFFAOYSA-N 0 0 434.521 5.236 50 0 IKAARN COc1cccc(-n2cnc3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)SCC(=O)N3)c1 ZINC000095474464 569372595 /nfs/dbraw/zinc/37/25/95/569372595.db2.gz SADGVVTVZCBHMF-JOCHJYFZSA-N 0 0 439.537 5.101 50 0 IKAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(F)c(F)c3F)c21 ZINC000095478663 569373497 /nfs/dbraw/zinc/37/34/97/569373497.db2.gz YLLQWECEAVUPPH-OAHLLOKOSA-N 0 0 428.410 5.025 50 0 IKAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccc(F)c(F)c3F)c21 ZINC000095478662 569373551 /nfs/dbraw/zinc/37/35/51/569373551.db2.gz YLLQWECEAVUPPH-HNNXBMFYSA-N 0 0 428.410 5.025 50 0 IKAARN COc1ccc(-n2cnc3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)SCC(=O)N3)cc1 ZINC000095480580 569373918 /nfs/dbraw/zinc/37/39/18/569373918.db2.gz OJXSARFBRHCPJL-JOCHJYFZSA-N 0 0 439.537 5.101 50 0 IKAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095480428 569373931 /nfs/dbraw/zinc/37/39/31/569373931.db2.gz IBRLGWYZSDIPSD-OAQYLSRUSA-N 0 0 446.982 5.598 50 0 IKAARN c1ccc(C(Cc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c2ccccc2)cc1 ZINC000095481702 569374093 /nfs/dbraw/zinc/37/40/93/569374093.db2.gz WGCWQVPZNCYJKR-UHFFFAOYSA-N 0 0 440.616 6.028 50 0 IKAARN CCn1c2ccccc2c2ccc(/N=c3\cc(-c4ccc(OC)cc4)oc4ccccc43)cc21 ZINC000095482130 569374170 /nfs/dbraw/zinc/37/41/70/569374170.db2.gz IELRNBPSWMSPRW-GKPLWNPISA-N 0 0 444.534 7.469 50 0 IKAARN CCOc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1 ZINC000095481888 569374192 /nfs/dbraw/zinc/37/41/92/569374192.db2.gz XQMXRCLPBIEUFC-UHFFFAOYSA-N 0 0 434.521 5.220 50 0 IKAARN O=C(Nc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1)c1ccccc1F ZINC000095482159 569374227 /nfs/dbraw/zinc/37/42/27/569374227.db2.gz SCIMMEPSZRHLQF-UHFFFAOYSA-N 0 0 446.916 5.530 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000020560131 569374597 /nfs/dbraw/zinc/37/45/97/569374597.db2.gz SUQLSOOKSZYQEA-KHCICDEESA-N 0 0 448.632 6.805 50 0 IKAARN Cc1ccc(-c2nc3nc(-c4ccc(Cl)cc4Cl)cn3nc2-c2ccc(C)cc2)cc1 ZINC000020616446 569374629 /nfs/dbraw/zinc/37/46/29/569374629.db2.gz LUHINECWQNQYFE-UHFFFAOYSA-N 0 0 445.353 7.049 50 0 IKAARN Cc1cccc(N2CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@H]2C)c1 ZINC000021043113 569375313 /nfs/dbraw/zinc/37/53/13/569375313.db2.gz UFRXTDGWMYOQDQ-LJQANCHMSA-N 0 0 428.967 5.974 50 0 IKAARN CCc1cccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000095945252 569375774 /nfs/dbraw/zinc/37/57/74/569375774.db2.gz OVAJHDYHNTVKJX-MHZLTWQESA-N 0 0 434.543 5.799 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(Cl)c(F)c3)C2)c(OC)c1 ZINC000095945166 569375820 /nfs/dbraw/zinc/37/58/20/569375820.db2.gz VDVCXAFGYOENFH-IBGZPJMESA-N 0 0 428.847 5.081 50 0 IKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000095945267 569375832 /nfs/dbraw/zinc/37/58/32/569375832.db2.gz YWXKHYAWRJDBIN-RUZDIDTESA-N 0 0 439.946 6.561 50 0 IKAARN O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc21)c1ccc(C2CCCCC2)cc1 ZINC000095945982 569375890 /nfs/dbraw/zinc/37/58/90/569375890.db2.gz IYIFOZIVZYAZQO-UHFFFAOYSA-N 0 0 436.360 6.357 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@H]1c1cccc(C)c1 ZINC000095945937 569375912 /nfs/dbraw/zinc/37/59/12/569375912.db2.gz SAVBLEXTWZGEDP-VWLOTQADSA-N 0 0 449.554 5.900 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc32)cc1 ZINC000021089525 569376081 /nfs/dbraw/zinc/37/60/81/569376081.db2.gz QMVXTCQCKCSAGI-UHFFFAOYSA-N 0 0 430.813 6.728 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ncc(-c3ccccc3)o2)Cc2ccccc2)c1 ZINC000095947043 569376160 /nfs/dbraw/zinc/37/61/60/569376160.db2.gz VLXLULRPSPDKDY-HXUWFJFHSA-N 0 0 425.532 6.063 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ncc(-c3ccccc3)o2)Cc2ccccc2)c1 ZINC000095947042 569376261 /nfs/dbraw/zinc/37/62/61/569376261.db2.gz VLXLULRPSPDKDY-FQEVSTJZSA-N 0 0 425.532 6.063 50 0 IKAARN C[C@@H]1CN(c2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cc2)C[C@H](C)O1 ZINC000095957194 569376825 /nfs/dbraw/zinc/37/68/25/569376825.db2.gz PSVNWGQGOJNVSA-AOOOYVTPSA-N 0 0 449.165 5.561 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000095966237 569377331 /nfs/dbraw/zinc/37/73/31/569377331.db2.gz LJXWPIMHAHVOFN-UHFFFAOYSA-N 0 0 442.972 5.066 50 0 IKAARN COc1cc(CN2CCC[C@H](n3nccc3C(F)(F)F)C2)cc(Cl)c1OC(F)F ZINC000095995875 569378773 /nfs/dbraw/zinc/37/87/73/569378773.db2.gz LQFBDWBMRAXMPJ-LBPRGKRZSA-N 0 0 439.812 5.002 50 0 IKAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1Cl ZINC000096006661 569379496 /nfs/dbraw/zinc/37/94/96/569379496.db2.gz IDEXFHMFYLAZPN-UHFFFAOYSA-N 0 0 432.911 5.614 50 0 IKAARN Brc1ccc2nc(-c3ccccc3Br)cc(-c3ccccc3)c2c1 ZINC000096012524 569380233 /nfs/dbraw/zinc/38/02/33/569380233.db2.gz DNPSZHSEQNXQQT-UHFFFAOYSA-N 0 0 439.150 7.094 50 0 IKAARN CC(=O)N(c1nc(/C=C\C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cs1)c1ccccc1F ZINC000096035224 569380928 /nfs/dbraw/zinc/38/09/28/569380928.db2.gz FGZUURNILPZFHC-IBSYWUHOSA-N 0 0 443.466 5.073 50 0 IKAARN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)/C=C\c1cc(Cl)c2c(c1)OCCCO2 ZINC000096054860 569381011 /nfs/dbraw/zinc/38/10/11/569381011.db2.gz JUGPDZLEHCMYIT-KTKRTIGZSA-N 0 0 443.927 5.037 50 0 IKAARN COc1cc2nc(C(Cl)=Cc3cnc(C4CCCCC4)s3)[nH]c(=O)c2cc1OC ZINC000096057862 569381064 /nfs/dbraw/zinc/38/10/64/569381064.db2.gz CFOQCDFCMANUNR-OVCLIPMQSA-N 0 0 431.945 5.181 50 0 IKAARN Cc1nccn1-c1ccc([C@H](C)NC(=O)/C=C\c2ccc(OCc3cccnc3)cc2)cc1 ZINC000096055655 569381075 /nfs/dbraw/zinc/38/10/75/569381075.db2.gz ZQRZVUIDNIPUNT-HGEVBOJVSA-N 0 0 438.531 5.045 50 0 IKAARN CCCCOc1ccc(NC(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 ZINC000096096604 569381210 /nfs/dbraw/zinc/38/12/10/569381210.db2.gz IFKWHZNBAKZQKH-UHFFFAOYSA-N 0 0 426.542 5.389 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2c(C)noc2C)c1 ZINC000096097163 569381419 /nfs/dbraw/zinc/38/14/19/569381419.db2.gz YPCOWDOFXZPIRH-UHFFFAOYSA-N 0 0 447.516 5.097 50 0 IKAARN CC(C)(C)c1cc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc(C(C)(C)C)c1 ZINC000096099514 569381701 /nfs/dbraw/zinc/38/17/01/569381701.db2.gz UARSECWXBJNURP-UHFFFAOYSA-N 0 0 445.625 5.094 50 0 IKAARN COC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000096104486 569382219 /nfs/dbraw/zinc/38/22/19/569382219.db2.gz BRHMEWUNDKSCPT-UHFFFAOYSA-N 0 0 440.893 5.545 50 0 IKAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5c(cnc6c7ccccc7nn65)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000096116069 569383466 /nfs/dbraw/zinc/38/34/66/569383466.db2.gz FTUGZSWAYIUGKC-WQUKGHBTSA-N 0 0 429.608 5.591 50 0 biogenic IKAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000096116787 569383893 /nfs/dbraw/zinc/38/38/93/569383893.db2.gz VSDKNURJXFKBEG-QVKFZJNVSA-N 0 0 437.565 5.354 50 0 IKAARN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000096120075 569384896 /nfs/dbraw/zinc/38/48/96/569384896.db2.gz JKXFHYLTQWSJTO-QGZVFWFLSA-N 0 0 440.392 5.088 50 0 IKAARN CO[C@H]1CCN(c2ccc(NC(=O)CCc3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC000096122242 569385213 /nfs/dbraw/zinc/38/52/13/569385213.db2.gz XAJIANCUFLLFRL-SANMLTNESA-N 0 0 430.548 5.062 50 0 IKAARN COc1ccc(CCC(=O)NCc2ccccc2-c2ccsc2)cc1Br ZINC000096122909 569385238 /nfs/dbraw/zinc/38/52/38/569385238.db2.gz HRWVSWIQCGELSR-UHFFFAOYSA-N 0 0 430.367 5.435 50 0 IKAARN COC1CCN(c2ccc(NS(=O)(=O)c3ccc(-c4cccc(C)c4)cc3)cc2)CC1 ZINC000096122401 569385249 /nfs/dbraw/zinc/38/52/49/569385249.db2.gz CPEWTBVFUQLTLA-UHFFFAOYSA-N 0 0 436.577 5.078 50 0 IKAARN COc1cccc(C(=O)c2coc3ccc(OCc4cccc(Br)c4)cc23)c1 ZINC000096184100 569386036 /nfs/dbraw/zinc/38/60/36/569386036.db2.gz DLIXLCHQFFSXIA-UHFFFAOYSA-N 0 0 437.289 6.014 50 0 IKAARN COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2F)cc1C(F)(F)F ZINC000096203812 569386404 /nfs/dbraw/zinc/38/64/04/569386404.db2.gz PETXVQGHVHBNSD-HXUWFJFHSA-N 0 0 436.380 5.039 50 0 IKAARN COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2F)cc1C(F)(F)F ZINC000096203811 569386448 /nfs/dbraw/zinc/38/64/48/569386448.db2.gz PETXVQGHVHBNSD-FQEVSTJZSA-N 0 0 436.380 5.039 50 0 IKAARN CC(C)c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096221521 569386921 /nfs/dbraw/zinc/38/69/21/569386921.db2.gz RGXUVIPHALFQRH-NRFANRHFSA-N 0 0 426.468 5.730 50 0 biogenic IKAARN COc1ccc(C(=O)COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1 ZINC000096222550 569387180 /nfs/dbraw/zinc/38/71/80/569387180.db2.gz LNWYFQAXMIIXDZ-UHFFFAOYSA-N 0 0 448.471 5.396 50 0 biogenic IKAARN CSCC[C@H](NC(=O)c1nc(C)sc1Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000096230733 569387493 /nfs/dbraw/zinc/38/74/93/569387493.db2.gz ZWEXAFZOKZXAJO-IBGZPJMESA-N 0 0 436.606 5.143 50 0 IKAARN COc1ccc2[nH]cc(CCNC(=O)C[C@@H](Cn3cccc3)c3ccc(Cl)cc3)c2c1 ZINC000096232542 569387886 /nfs/dbraw/zinc/38/78/86/569387886.db2.gz ZYNXQBOTDMUKML-FQEVSTJZSA-N 0 0 435.955 5.164 50 0 IKAARN COc1ccc(C(=O)N(CCc2nc(-c3ccccc3)no2)[C@@H](C)c2ccccc2)cc1 ZINC000096275709 569388419 /nfs/dbraw/zinc/38/84/19/569388419.db2.gz KRACJAAXLSPJHR-IBGZPJMESA-N 0 0 427.504 5.191 50 0 IKAARN CCOc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275785 569388429 /nfs/dbraw/zinc/38/84/29/569388429.db2.gz OXKKQIVYBAIWNN-RUZDIDTESA-N 0 0 426.560 5.967 50 0 IKAARN Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)CCc3ccccc3)n2)cc1Cl ZINC000096276078 569388515 /nfs/dbraw/zinc/38/85/15/569388515.db2.gz LAKDKWNVNXDFSI-UHFFFAOYSA-N 0 0 449.938 5.496 50 0 IKAARN CC(C)CNC(=O)c1cc2cc(NC(=O)c3cccc(F)c3)ccc2n1Cc1ccccc1 ZINC000096276458 569388519 /nfs/dbraw/zinc/38/85/19/569388519.db2.gz YATJBEUPBCDLMW-UHFFFAOYSA-N 0 0 443.522 5.467 50 0 IKAARN O=C(Nc1ccccc1)c1cc2cc(NC(=O)C3CC3)ccc2n1Cc1ccccc1F ZINC000096276568 569388622 /nfs/dbraw/zinc/38/86/22/569388622.db2.gz QRFNLPRXRXHNOX-UHFFFAOYSA-N 0 0 427.479 5.430 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096276757 569388633 /nfs/dbraw/zinc/38/86/33/569388633.db2.gz CSDWWSAGKGYNJA-XMMPIXPASA-N 0 0 446.541 6.262 50 0 IKAARN COc1ccc([C@H](CC(=O)NCc2ccco2)c2c[nH]c3ccc(Cl)cc32)cc1OC ZINC000096276639 569388639 /nfs/dbraw/zinc/38/86/39/569388639.db2.gz FIQXSLLQCAVITP-SFHVURJKSA-N 0 0 438.911 5.270 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)c1ccc(C(F)(F)F)cc1 ZINC000096277197 569388763 /nfs/dbraw/zinc/38/87/63/569388763.db2.gz DQGPMLBCZMLADT-HXUWFJFHSA-N 0 0 437.421 5.469 50 0 IKAARN Cc1ccc(-c2noc([C@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000096277449 569388765 /nfs/dbraw/zinc/38/87/65/569388765.db2.gz LNHUIDAHTBDWJL-QFIPXVFZSA-N 0 0 447.922 5.177 50 0 IKAARN CC(C)(C)c1ccc(Cn2c(C(N)=O)cc3cc(NC(=O)c4cccc(F)c4)ccc32)cc1 ZINC000096277510 569388767 /nfs/dbraw/zinc/38/87/67/569388767.db2.gz UMTJWEWCOJMVRL-UHFFFAOYSA-N 0 0 443.522 5.477 50 0 IKAARN CC(C)(C)[C@@H](CC(=O)NCCc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096277674 569388780 /nfs/dbraw/zinc/38/87/80/569388780.db2.gz LAZPYZHAGAAGIX-SANMLTNESA-N 0 0 439.603 5.963 50 0 IKAARN O=C(C1CCC1)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1 ZINC000096277761 569388850 /nfs/dbraw/zinc/38/88/50/569388850.db2.gz PTQHDEQXWOTMGE-UHFFFAOYSA-N 0 0 432.362 5.003 50 0 IKAARN CC(C)(C)[C@H](CC(=O)NCCc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096277675 569388862 /nfs/dbraw/zinc/38/88/62/569388862.db2.gz LAZPYZHAGAAGIX-AREMUKBSSA-N 0 0 439.603 5.963 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1 ZINC000096277900 569388863 /nfs/dbraw/zinc/38/88/63/569388863.db2.gz ALSYYSRFLHMZJJ-UHFFFAOYSA-N 0 0 448.405 5.639 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277911 569388875 /nfs/dbraw/zinc/38/88/75/569388875.db2.gz VZFLKQAZFBFHJK-UGSOOPFHSA-N 0 0 433.430 5.281 50 0 IKAARN O=C(COCc1ccccc1)N[C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278124 569388995 /nfs/dbraw/zinc/38/89/95/569388995.db2.gz ISEZIGVHXBBASR-JOCHJYFZSA-N 0 0 447.922 5.007 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000096278157 569389005 /nfs/dbraw/zinc/38/90/05/569389005.db2.gz QSMJJZILAZPELR-XMMPIXPASA-N 0 0 446.978 6.908 50 0 IKAARN Cc1cc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccs3)c2)ccc1F ZINC000096278425 569389079 /nfs/dbraw/zinc/38/90/79/569389079.db2.gz TVNBARXRYUJXJR-UHFFFAOYSA-N 0 0 436.512 5.483 50 0 IKAARN Cc1cc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccc(F)c3)c2)ccc1F ZINC000096278453 569389088 /nfs/dbraw/zinc/38/90/88/569389088.db2.gz TXRLSVDQVGWBAS-UHFFFAOYSA-N 0 0 448.473 5.560 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccco1 ZINC000096278384 569389092 /nfs/dbraw/zinc/38/90/92/569389092.db2.gz VTXMKRKWVXKEGZ-UHFFFAOYSA-N 0 0 435.446 5.356 50 0 IKAARN COc1ccc([C@H](CC(N)=O)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000096278317 569389130 /nfs/dbraw/zinc/38/91/30/569389130.db2.gz NJRXLNFMDOMOJN-QFIPXVFZSA-N 0 0 428.532 5.023 50 0 IKAARN Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2Cl)c(-c2nc3ncccc3o2)c1 ZINC000096279056 569389181 /nfs/dbraw/zinc/38/91/81/569389181.db2.gz ZTTFAMMTFICFMQ-UHFFFAOYSA-N 0 0 435.288 5.273 50 0 IKAARN O=C(Nc1ccc2c(cc(C(=O)N3CCCC3)n2Cc2ccccc2)c1)c1ccccc1F ZINC000096278879 569389183 /nfs/dbraw/zinc/38/91/83/569389183.db2.gz KLMIYOXBISHBBD-UHFFFAOYSA-N 0 0 441.506 5.317 50 0 IKAARN Cc1ccc2nc(-c3cc(C)ccc3OS(=O)(=O)c3ccc(Cl)cc3Cl)oc2c1 ZINC000096279072 569389200 /nfs/dbraw/zinc/38/92/00/569389200.db2.gz APLLNUYMYBBXMX-UHFFFAOYSA-N 0 0 448.327 6.186 50 0 IKAARN C[C@H](c1ccccc1)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccccc1 ZINC000096278746 569389209 /nfs/dbraw/zinc/38/92/09/569389209.db2.gz TYKGIMIDGYNGSD-GOSISDBHSA-N 0 0 431.923 5.836 50 0 IKAARN CC(C)(C)c1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096278899 569389222 /nfs/dbraw/zinc/38/92/22/569389222.db2.gz IVYHWPHHMXBKCO-QHCPKHFHSA-N 0 0 445.006 6.957 50 0 IKAARN C[C@@H](c1ccccc1)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccccc1 ZINC000096278745 569389241 /nfs/dbraw/zinc/38/92/41/569389241.db2.gz TYKGIMIDGYNGSD-SFHVURJKSA-N 0 0 431.923 5.836 50 0 IKAARN CCCCN(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096278768 569389249 /nfs/dbraw/zinc/38/92/49/569389249.db2.gz HSBUAAHFPRUHRC-UHFFFAOYSA-N 0 0 447.457 5.249 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1C(F)(F)F ZINC000096279165 569389321 /nfs/dbraw/zinc/38/93/21/569389321.db2.gz RVAZYNRCWIGYGN-UHFFFAOYSA-N 0 0 444.840 7.036 50 0 IKAARN CC(C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000096279271 569389357 /nfs/dbraw/zinc/38/93/57/569389357.db2.gz QIRIWEZVEIGJJR-UHFFFAOYSA-N 0 0 444.019 5.832 50 0 IKAARN COc1cc(-c2nc(-c3cccc(OCc4ccc(F)cc4)c3)no2)cc(OC)c1OC ZINC000096281026 569389787 /nfs/dbraw/zinc/38/97/87/569389787.db2.gz WCTNZCZWHRZIAF-UHFFFAOYSA-N 0 0 436.439 5.148 50 0 IKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1 ZINC000096281552 569389923 /nfs/dbraw/zinc/38/99/23/569389923.db2.gz ZKMJNNLLYHPGCV-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3cccc(OCc4ccc(F)cc4)c3)n2)cc1 ZINC000096281530 569389942 /nfs/dbraw/zinc/38/99/42/569389942.db2.gz YOXDJIJJAZDMOL-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN CCc1ccc([C@@H]2C[C@H](C(=O)Nc3cccc(Cl)c3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000096281743 569390032 /nfs/dbraw/zinc/39/00/32/569390032.db2.gz BOXVRURNUUAMHA-RTWAWAEBSA-N 0 0 436.939 5.380 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1csc(-c2cccc(OCc3ccc(F)cc3)c2)n1 ZINC000096281621 569390062 /nfs/dbraw/zinc/39/00/62/569390062.db2.gz CMPNGFONYQIHER-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCN(c2ccccc2Cl)CC1 ZINC000096286847 569390223 /nfs/dbraw/zinc/39/02/23/569390223.db2.gz CRIGKOIJFGLESS-UHFFFAOYSA-N 0 0 445.925 5.657 50 0 IKAARN Cc1nnc(SCc2ccccc2C(=O)NCc2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000096287008 569390312 /nfs/dbraw/zinc/39/03/12/569390312.db2.gz UCAXHITXCPUDSU-UHFFFAOYSA-N 0 0 446.551 5.246 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)c1 ZINC000096286990 569390367 /nfs/dbraw/zinc/39/03/67/569390367.db2.gz WEVOMHDEGLURMX-UHFFFAOYSA-N 0 0 449.963 5.975 50 0 IKAARN CC[C@@H](C)NC(=O)CCc1c(-c2cccc(OC)c2)nc2ccc(-c3ccccc3)cn21 ZINC000096288279 569390417 /nfs/dbraw/zinc/39/04/17/569390417.db2.gz XJMJKBAXNUUOIB-LJQANCHMSA-N 0 0 427.548 5.524 50 0 IKAARN COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CCC(=O)NCC(C)C)c1 ZINC000096288285 569390423 /nfs/dbraw/zinc/39/04/23/569390423.db2.gz RFFCHYQLSBAOKZ-UHFFFAOYSA-N 0 0 427.548 5.382 50 0 IKAARN O=C(Cc1ccc(F)cc1)N(CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000096288398 569390429 /nfs/dbraw/zinc/39/04/29/569390429.db2.gz UADGEAOVINFLTJ-UHFFFAOYSA-N 0 0 449.913 5.343 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096288231 569390438 /nfs/dbraw/zinc/39/04/38/569390438.db2.gz YVRDOUQHYJLZLJ-DJJJIMSYSA-N 0 0 435.421 5.341 50 0 IKAARN CCN(CC)C(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccc(C(C)=O)cc3)cn21 ZINC000096288225 569390465 /nfs/dbraw/zinc/39/04/65/569390465.db2.gz DWDJQZHXIDMZKH-UHFFFAOYSA-N 0 0 439.559 5.672 50 0 IKAARN O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21)NC1CC1 ZINC000096288754 569390537 /nfs/dbraw/zinc/39/05/37/569390537.db2.gz PVCLQMYKZVUGLN-UHFFFAOYSA-N 0 0 443.161 5.519 50 0 IKAARN CCCNC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3ccc(Cl)cc3C)cn21 ZINC000096289052 569390543 /nfs/dbraw/zinc/39/05/43/569390543.db2.gz JJZCUUUDKNRACV-UHFFFAOYSA-N 0 0 445.994 6.397 50 0 IKAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000096289455 569390683 /nfs/dbraw/zinc/39/06/83/569390683.db2.gz QVOVCUFVSRNCJI-UHFFFAOYSA-N 0 0 437.989 5.057 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N[C@H](C)CC)Cc2ccco2)n1 ZINC000096290184 569390767 /nfs/dbraw/zinc/39/07/67/569390767.db2.gz LQRAGFLFYJJCIH-CQSZACIVSA-N 0 0 449.382 5.403 50 0 IKAARN Cc1cc(Cl)ccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)N3CCCC3)n2c1 ZINC000096289673 569390771 /nfs/dbraw/zinc/39/07/71/569390771.db2.gz RGJJKHNRNBGXCD-UHFFFAOYSA-N 0 0 443.978 6.185 50 0 IKAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(C(=O)c2ccco2)C(C)C)c1 ZINC000096290459 569390871 /nfs/dbraw/zinc/39/08/71/569390871.db2.gz NCHNBQDMFBCUKE-UHFFFAOYSA-N 0 0 447.940 5.060 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)nc1)N1CCCC1 ZINC000096290418 569390923 /nfs/dbraw/zinc/39/09/23/569390923.db2.gz QCOTXRIRORIGKX-HSZRJFAPSA-N 0 0 443.978 5.882 50 0 IKAARN Cc1cccc(-n2c(SCc3ccccc3C(=O)N3CCCC3)nnc2-c2ccco2)c1 ZINC000096290398 569390945 /nfs/dbraw/zinc/39/09/45/569390945.db2.gz RFDJIZIBFHENJK-UHFFFAOYSA-N 0 0 444.560 5.364 50 0 IKAARN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CC(C)C)C(=O)c1ccccc1Cl ZINC000096291804 569391088 /nfs/dbraw/zinc/39/10/88/569391088.db2.gz OWRDWKAMLOHBEA-UHFFFAOYSA-N 0 0 444.380 5.020 50 0 IKAARN CCCN(C)C(=O)CCn1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1Cl ZINC000096291068 569391097 /nfs/dbraw/zinc/39/10/97/569391097.db2.gz UFJJOAWMTHNEGP-UHFFFAOYSA-N 0 0 438.786 5.846 50 0 IKAARN CC[C@@H](C)NC(=O)CCc1c(-c2ccc(OC)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096292036 569391267 /nfs/dbraw/zinc/39/12/67/569391267.db2.gz JQUMWKBAANLJAW-LJQANCHMSA-N 0 0 427.548 5.524 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1 ZINC000096292561 569391336 /nfs/dbraw/zinc/39/13/36/569391336.db2.gz KUJVNGLILPILPZ-INIZCTEOSA-N 0 0 436.861 5.221 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293080 569391392 /nfs/dbraw/zinc/39/13/92/569391392.db2.gz BCLSYPQQDIGWTF-FOIQADDNSA-N 0 0 447.457 5.176 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293305 569391545 /nfs/dbraw/zinc/39/15/45/569391545.db2.gz YWZIXOFCFIUTAY-PXAZEXFGSA-N 0 0 437.849 5.926 50 0 IKAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2N1c1ccccc1 ZINC000096293443 569391547 /nfs/dbraw/zinc/39/15/47/569391547.db2.gz SNXQKBUKSSQMDU-UHFFFAOYSA-N 0 0 439.924 5.241 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2)c(C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1 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/nfs/dbraw/zinc/41/68/78/569416878.db2.gz OQQYGOCISVDKRD-UHFFFAOYSA-N 0 0 437.499 5.340 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1C ZINC000002685420 569416892 /nfs/dbraw/zinc/41/68/92/569416892.db2.gz RRRKYTIHDADDCC-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3ccc(C)cc3)c2cc1OC ZINC000002691340 569417165 /nfs/dbraw/zinc/41/71/65/569417165.db2.gz RRQDUXNWNCVSND-UHFFFAOYSA-N 0 0 437.543 6.194 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4cccc(C)c4)cc2-3)cc1 ZINC000002691360 569417187 /nfs/dbraw/zinc/41/71/87/569417187.db2.gz VKUXUVUKOOSSLF-UHFFFAOYSA-N 0 0 439.515 5.586 50 0 IKAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc3noc(-c4ccccc4)c3c2)cc1 ZINC000230013365 569417425 /nfs/dbraw/zinc/41/74/25/569417425.db2.gz JPBCLNCLFGEBPW-UHSQPCAPSA-N 0 0 443.506 6.737 50 0 IKAARN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NC2CCCCC2)c1 ZINC000002714863 569417888 /nfs/dbraw/zinc/41/78/88/569417888.db2.gz DWLVMZXZUXQFRP-UHFFFAOYSA-N 0 0 436.481 6.851 50 0 IKAARN O=C1CCCN1CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714670 569417894 /nfs/dbraw/zinc/41/78/94/569417894.db2.gz MGPQCJLUPGYMRZ-UHFFFAOYSA-N 0 0 445.954 5.165 50 0 IKAARN CC(C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721802 569418182 /nfs/dbraw/zinc/41/81/82/569418182.db2.gz IDAUBFCJBXGPIB-UHFFFAOYSA-N 0 0 444.397 5.499 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cc(Cl)ccc1Cl)CC(=O)N2 ZINC000002724233 569418329 /nfs/dbraw/zinc/41/83/29/569418329.db2.gz NYTFCGYAEBQKCH-JOCHJYFZSA-N 0 0 443.305 5.625 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccc(C)cc1C ZINC000002722457 569418350 /nfs/dbraw/zinc/41/83/50/569418350.db2.gz TUQGPUFPEJIJJY-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN O=C(CCCc1ccccc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724480 569418429 /nfs/dbraw/zinc/41/84/29/569418429.db2.gz RPNHQWLPWKULGX-VWLOTQADSA-N 0 0 436.914 5.372 50 0 IKAARN CC[C@@H](C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000002724476 569418480 /nfs/dbraw/zinc/41/84/80/569418480.db2.gz MXDLNYVHCBJMFL-HYBUGGRVSA-N 0 0 436.914 5.543 50 0 IKAARN CC(C)c1ccc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)cc1 ZINC000002725436 569418483 /nfs/dbraw/zinc/41/84/83/569418483.db2.gz OOPBUFRCQRDFIJ-UHFFFAOYSA-N 0 0 435.229 5.926 50 0 IKAARN CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cc1 ZINC000002724763 569418485 /nfs/dbraw/zinc/41/84/85/569418485.db2.gz OHYHAVXDJPCVLX-RUZDIDTESA-N 0 0 432.495 5.189 50 0 IKAARN CC[C@@H](C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000002724478 569418490 /nfs/dbraw/zinc/41/84/90/569418490.db2.gz MXDLNYVHCBJMFL-YKSBVNFPSA-N 0 0 436.914 5.543 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000002725906 569418533 /nfs/dbraw/zinc/41/85/33/569418533.db2.gz NUVAKAHUAKSROJ-QFIPXVFZSA-N 0 0 432.951 5.422 50 0 IKAARN O=C(CSc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)N[C@@H]1CCCc2ccccc21 ZINC000002725996 569418582 /nfs/dbraw/zinc/41/85/82/569418582.db2.gz OHZGCGFWMSQWBO-QGZVFWFLSA-N 0 0 433.364 5.064 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1Cl ZINC000002726239 569418593 /nfs/dbraw/zinc/41/85/93/569418593.db2.gz DWMFESBSOAEQAS-UHFFFAOYSA-N 0 0 426.354 5.023 50 0 IKAARN O=C(CSc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)N[C@H]1CCCc2ccccc21 ZINC000002725997 569418595 /nfs/dbraw/zinc/41/85/95/569418595.db2.gz OHZGCGFWMSQWBO-KRWDZBQOSA-N 0 0 433.364 5.064 50 0 IKAARN CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1cccs1 ZINC000002725841 569418618 /nfs/dbraw/zinc/41/86/18/569418618.db2.gz YDBGRBPWSAWHOD-LJQANCHMSA-N 0 0 438.553 5.638 50 0 IKAARN Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)nn1Cc1ccc(Cl)cc1Cl ZINC000002729245 569418649 /nfs/dbraw/zinc/41/86/49/569418649.db2.gz VBIUOOAEUIITLJ-UHFFFAOYSA-N 0 0 441.362 5.989 50 0 IKAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000002729671 569418732 /nfs/dbraw/zinc/41/87/32/569418732.db2.gz FODPLLOLBFSWMF-UHFFFAOYSA-N 0 0 434.564 6.806 50 0 IKAARN CSc1nsc(SC)c1C(=O)Nc1cc(C)n(Cc2ccc(F)cc2Cl)n1 ZINC000002728410 569418744 /nfs/dbraw/zinc/41/87/44/569418744.db2.gz JVTAHCOXJDKMIB-UHFFFAOYSA-N 0 0 442.994 5.185 50 0 IKAARN Cc1sc2ncn3nc(-c4ccc(COc5ccc(C(C)(C)C)cc5)o4)nc3c2c1C ZINC000002731583 569419404 /nfs/dbraw/zinc/41/94/04/569419404.db2.gz RSJYNYAOVPARDB-UHFFFAOYSA-N 0 0 432.549 6.092 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccc(C)cc3)n2)cc1OC ZINC000002733342 569419511 /nfs/dbraw/zinc/41/95/11/569419511.db2.gz PGYKQJKGRFVAGY-UHFFFAOYSA-N 0 0 430.504 5.549 50 0 IKAARN COc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC ZINC000002733382 569419566 /nfs/dbraw/zinc/41/95/66/569419566.db2.gz HGBULJJVFVKVDT-UHFFFAOYSA-N 0 0 448.494 5.688 50 0 IKAARN COc1ccccc1-c1nn(Cn2cc(Cl)cn2)c(-c2ccccc2OC)c1Cl ZINC000002733507 569419672 /nfs/dbraw/zinc/41/96/72/569419672.db2.gz MPISEWBRJPVEDF-UHFFFAOYSA-N 0 0 429.307 5.243 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000002733451 569419699 /nfs/dbraw/zinc/41/96/99/569419699.db2.gz GAXHJJNPRSPHTE-UHFFFAOYSA-N 0 0 437.768 7.239 50 0 IKAARN CC(C)(C)NC(=O)CSc1nnc(COc2ccc3ccccc3c2)n1-c1ccccc1 ZINC000002742622 569419985 /nfs/dbraw/zinc/41/99/85/569419985.db2.gz BUHFYPVLKYXJGA-UHFFFAOYSA-N 0 0 446.576 5.006 50 0 IKAARN CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1cccc2ccccc21 ZINC000002746609 569420088 /nfs/dbraw/zinc/42/00/88/569420088.db2.gz MAULIHCOXSNGSX-VWLOTQADSA-N 0 0 437.499 5.150 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(OC)c(OC)c1)Nc1ccccc1-2 ZINC000002746056 569420111 /nfs/dbraw/zinc/42/01/11/569420111.db2.gz JKPXNXPPTYEETD-LJQANCHMSA-N 0 0 444.944 5.214 50 0 IKAARN O=C(c1ccc(COc2ccccc2Cl)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000002750677 569420264 /nfs/dbraw/zinc/42/02/64/569420264.db2.gz OVKXTSNXHKHIFJ-UHFFFAOYSA-N 0 0 426.000 7.027 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccccc1C(F)(F)F ZINC000002752732 569420326 /nfs/dbraw/zinc/42/03/26/569420326.db2.gz ICWOOCYCSVXKAA-UHFFFAOYSA-N 0 0 440.852 7.135 50 0 IKAARN CCOC(=O)c1c(-c2cccc(Br)c2)csc1NC(=O)c1cccnc1 ZINC000002763798 569420631 /nfs/dbraw/zinc/42/06/31/569420631.db2.gz XJFVMWDRSPBGLV-UHFFFAOYSA-N 0 0 431.311 5.002 50 0 IKAARN Cc1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000002765883 569420651 /nfs/dbraw/zinc/42/06/51/569420651.db2.gz NWXOQBAQXMLXDK-DEOSSOPVSA-N 0 0 447.991 6.365 50 0 IKAARN Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Cl)cc3)n2)n1 ZINC000002771330 569420902 /nfs/dbraw/zinc/42/09/02/569420902.db2.gz UBBGXUPORHBOEW-UHFFFAOYSA-N 0 0 426.311 5.468 50 0 IKAARN Cc1nn(CCc2nnc(-c3sc4ccccc4c3Cl)o2)c(C)c1Br ZINC000002786206 569421303 /nfs/dbraw/zinc/42/13/03/569421303.db2.gz OGGCFJNRRSJKCC-UHFFFAOYSA-N 0 0 437.750 5.423 50 0 IKAARN O=C(CSc1nccc(-c2cccc(OC(F)F)c2)n1)Nc1cccc2ccccc21 ZINC000002785168 569421315 /nfs/dbraw/zinc/42/13/15/569421315.db2.gz UEALPTXJLFFYKP-UHFFFAOYSA-N 0 0 437.471 5.629 50 0 IKAARN CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(-c4nnc(-c5ccccc5)o4)cc3n2)cc1 ZINC000002785639 569421334 /nfs/dbraw/zinc/42/13/34/569421334.db2.gz CHCDHCGQYXBANY-UHFFFAOYSA-N 0 0 449.436 6.256 50 0 IKAARN O=C(CSc1nccc(-c2ccc(OC(F)F)cc2)n1)c1ccc(Cl)cc1Cl ZINC000002788943 569421475 /nfs/dbraw/zinc/42/14/75/569421475.db2.gz HUWMOHWGTXPNHD-UHFFFAOYSA-N 0 0 441.286 6.027 50 0 IKAARN CCOc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)cc1 ZINC000002788211 569421479 /nfs/dbraw/zinc/42/14/79/569421479.db2.gz POWNGYSRJMWKSK-UHFFFAOYSA-N 0 0 446.532 5.456 50 0 IKAARN CCn1cc([C@@H](C)NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c(C)n1 ZINC000002786345 569421488 /nfs/dbraw/zinc/42/14/88/569421488.db2.gz QHQOFBVKFIPNPU-OAHLLOKOSA-N 0 0 442.357 5.044 50 0 IKAARN O=C(CSc1nccc(-c2cccs2)n1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000002791277 569421767 /nfs/dbraw/zinc/42/17/67/569421767.db2.gz QAUJZMBVJGNICO-UHFFFAOYSA-N 0 0 427.885 5.191 50 0 IKAARN CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc(F)cc5F)o4)nc3c12 ZINC000002790929 569421825 /nfs/dbraw/zinc/42/18/25/569421825.db2.gz ZHHKEJGYKODOIS-UHFFFAOYSA-N 0 0 426.448 5.327 50 0 IKAARN COc1ccc(C=C2NC(=S)N(C3CC3)C2=O)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000002791732 569421954 /nfs/dbraw/zinc/42/19/54/569421954.db2.gz JMUJWRCOTXWBDS-ODLFYWEKSA-N 0 0 442.968 5.176 50 0 IKAARN COc1cc(-c2nnc(-c3sc4cc(Cl)ccc4c3Cl)o2)ccc1OC(F)F ZINC000002803633 569422511 /nfs/dbraw/zinc/42/25/11/569422511.db2.gz RAXBOQKQYNYIIW-UHFFFAOYSA-N 0 0 443.258 6.535 50 0 IKAARN FC(F)(F)c1cc(-c2cccs2)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000002803260 569422518 /nfs/dbraw/zinc/42/25/18/569422518.db2.gz MQBILGRMIXEIOF-UHFFFAOYSA-N 0 0 446.401 6.157 50 0 IKAARN Cc1ccc(OCc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)c(C)c1 ZINC000002804552 569422563 /nfs/dbraw/zinc/42/25/63/569422563.db2.gz BKMMZUAUAVEOQO-UHFFFAOYSA-N 0 0 446.514 5.326 50 0 IKAARN Cc1ccc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cc2)c(C)c1 ZINC000002802948 569422573 /nfs/dbraw/zinc/42/25/73/569422573.db2.gz LNABWKMEQTUGIP-UHFFFAOYSA-N 0 0 446.514 5.326 50 0 IKAARN COc1ccc(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)c(OC)c1 ZINC000002805356 569422597 /nfs/dbraw/zinc/42/25/97/569422597.db2.gz IZPGVHDLRHNWNO-UHFFFAOYSA-N 0 0 440.714 5.161 50 0 IKAARN COc1ccc(C(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)cc1OC ZINC000002805386 569422678 /nfs/dbraw/zinc/42/26/78/569422678.db2.gz VRIYOIGBDXRWOA-UHFFFAOYSA-N 0 0 440.714 5.161 50 0 IKAARN CCOc1ccc(OCc2cccc(-c3nc4c5c(C)c(C)sc5ncn4n3)c2)cc1 ZINC000002808715 569422704 /nfs/dbraw/zinc/42/27/04/569422704.db2.gz FPVDIGQSMBSTKC-UHFFFAOYSA-N 0 0 430.533 5.601 50 0 IKAARN Cc1sc2ncn3nc(COc4ccc5cc(Br)ccc5c4)nc3c2c1C ZINC000002808138 569422759 /nfs/dbraw/zinc/42/27/59/569422759.db2.gz WUNARLZIECMAGF-UHFFFAOYSA-N 0 0 439.338 5.451 50 0 IKAARN O=C(CSc1nnc2n1c1ccccc1n2-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000002868883 569423696 /nfs/dbraw/zinc/42/36/96/569423696.db2.gz NTSTYGNGSBWLFU-UHFFFAOYSA-N 0 0 433.924 5.057 50 0 IKAARN O=C(N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000002880547 569424066 /nfs/dbraw/zinc/42/40/66/569424066.db2.gz BKPINNKWXDQGTF-AWEZNQCLSA-N 0 0 440.527 5.126 50 0 IKAARN Cc1ccccc1NCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000002887742 569424192 /nfs/dbraw/zinc/42/41/92/569424192.db2.gz AJPMUJMZWXJZJP-UHFFFAOYSA-N 0 0 439.890 5.765 50 0 IKAARN O=C(Oc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccc(Cl)cc1Cl ZINC000002888796 569424281 /nfs/dbraw/zinc/42/42/81/569424281.db2.gz DSUXEHYNSXQVCS-UHFFFAOYSA-N 0 0 445.685 6.639 50 0 IKAARN O=C(N[C@H](Sc1ccccn1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000002905416 569424556 /nfs/dbraw/zinc/42/45/56/569424556.db2.gz BYDDIUOHSLUSGO-CYBMUJFWSA-N 0 0 430.571 5.607 50 0 IKAARN CC(C)NC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912933 569425006 /nfs/dbraw/zinc/42/50/06/569425006.db2.gz NTODLGZKILJENA-UHFFFAOYSA-N 0 0 436.964 5.790 50 0 IKAARN Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000002915137 569425068 /nfs/dbraw/zinc/42/50/68/569425068.db2.gz JUJUXASPKXSVIW-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN COc1cccc([C@H]2CC(c3ccccc3OC(F)F)=Nc3nc4ccccc4n32)c1OC ZINC000002919481 569425239 /nfs/dbraw/zinc/42/52/39/569425239.db2.gz BTHPRNLWDCYHLR-HXUWFJFHSA-N 0 0 449.457 5.711 50 0 IKAARN CCOc1cc([C@@H]2CC(c3cccc(C)c3)=Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000002918562 569425254 /nfs/dbraw/zinc/42/52/54/569425254.db2.gz ICZGOQXMIRBIJP-QFIPXVFZSA-N 0 0 447.485 6.401 50 0 IKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cc(Cl)ccc3OC(F)F)C2)cc1 ZINC000002918802 569425305 /nfs/dbraw/zinc/42/53/05/569425305.db2.gz ISUFKRTUVJCTBQ-FQEVSTJZSA-N 0 0 441.840 6.486 50 0 IKAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1SCc1ccccc1Cl ZINC000002922058 569425414 /nfs/dbraw/zinc/42/54/14/569425414.db2.gz ZXCRRTAZUWPKQT-UHFFFAOYSA-N 0 0 437.779 6.264 50 0 IKAARN CCCCCCNc1nc(Cl)nc(Nc2ccc(I)cc2C)n1 ZINC000002924934 569425492 /nfs/dbraw/zinc/42/54/92/569425492.db2.gz MGVUHYFVGDUMED-UHFFFAOYSA-N 0 0 445.736 5.174 50 0 IKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2ccc(F)cc2Cl)cc1C ZINC000002925236 569425608 /nfs/dbraw/zinc/42/56/08/569425608.db2.gz UXZYZMSVLCFSSV-UHFFFAOYSA-N 0 0 430.957 6.149 50 0 IKAARN CCN(CC)c1nc(C)nc2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 ZINC000002925923 569425609 /nfs/dbraw/zinc/42/56/09/569425609.db2.gz QDNUBTRDBWDQAA-UHFFFAOYSA-N 0 0 446.576 6.199 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nc3ccsc3c2=O)cc1 ZINC000002925259 569425631 /nfs/dbraw/zinc/42/56/31/569425631.db2.gz LPYLPSSJXWJLEX-UHFFFAOYSA-N 0 0 436.602 6.046 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)cc1 ZINC000002925634 569425641 /nfs/dbraw/zinc/42/56/41/569425641.db2.gz CHBZWFRNQNHXDZ-UHFFFAOYSA-N 0 0 449.601 5.432 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCc2ccc(Cl)cc2)c1C ZINC000002928809 569425992 /nfs/dbraw/zinc/42/59/92/569425992.db2.gz SASWZSALCWDRIA-UHFFFAOYSA-N 0 0 438.955 5.043 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)N[C@@H]2CCCc3ccccc32)c1C ZINC000002928935 569426000 /nfs/dbraw/zinc/42/60/00/569426000.db2.gz CPZJSOQMSVGJRW-XMMPIXPASA-N 0 0 430.548 5.224 50 0 IKAARN CCC1CCC(c2ccc(C3=N/C(=C/c4ccc(Cl)cc4Cl)C(=O)O3)cc2)CC1 ZINC000002930285 569426133 /nfs/dbraw/zinc/42/61/33/569426133.db2.gz YNDLHQREMONTFO-LPYMAVHISA-N 0 0 428.359 7.022 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000002937888 569426350 /nfs/dbraw/zinc/42/63/50/569426350.db2.gz NOIVEAYHAFORMQ-UHFFFAOYSA-N 0 0 439.298 5.558 50 0 IKAARN Cc1c(C(=O)N2CCCC[C@@H]2C)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937662 569426351 /nfs/dbraw/zinc/42/63/51/569426351.db2.gz RJZGVXAQAATIDF-INIZCTEOSA-N 0 0 436.625 6.214 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12 ZINC000002937737 569426376 /nfs/dbraw/zinc/42/63/76/569426376.db2.gz KSJVTAKFKAWZCE-UHFFFAOYSA-N 0 0 444.359 5.540 50 0 IKAARN Cc1c(C(=O)NCc2ccco2)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937685 569426414 /nfs/dbraw/zinc/42/64/14/569426414.db2.gz FKCFFKLUYMAMNA-UHFFFAOYSA-N 0 0 434.565 5.722 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2F)sc2nc(C)nc(N(C)c3ccc(C(C)C)cc3)c12 ZINC000002937625 569426420 /nfs/dbraw/zinc/42/64/20/569426420.db2.gz HYOSYWGSMDODRX-UHFFFAOYSA-N 0 0 448.567 6.591 50 0 IKAARN Cc1ccc(-n2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3c2=O)cc1C ZINC000002938064 569426424 /nfs/dbraw/zinc/42/64/24/569426424.db2.gz NFDRIALIDVRDHB-UHFFFAOYSA-N 0 0 436.433 5.879 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc1 ZINC000002939907 569426477 /nfs/dbraw/zinc/42/64/77/569426477.db2.gz SGDVUVDTFADXSF-UHFFFAOYSA-N 0 0 427.456 5.197 50 0 IKAARN CCCCNc1nc(S[C@H](CC)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002941567 569426800 /nfs/dbraw/zinc/42/68/00/569426800.db2.gz OZMITLMNUCZCFP-HXUWFJFHSA-N 0 0 438.553 5.080 50 0 IKAARN COc1cc(/C=C2\N=C(/C=C/c3ccc(Cl)cc3Cl)OC2=O)cc(OC)c1OC ZINC000002945202 569426907 /nfs/dbraw/zinc/42/69/07/569426907.db2.gz DUMXEVSUOPNHFA-PXFWCYKISA-N 0 0 434.275 5.029 50 0 IKAARN COc1cc(OC)c(OC)cc1/C=C1\N=C(/C=C/c2ccc(Cl)cc2Cl)OC1=O ZINC000002945313 569426912 /nfs/dbraw/zinc/42/69/12/569426912.db2.gz MKHDICSGQFBANJ-PXFWCYKISA-N 0 0 434.275 5.029 50 0 IKAARN COc1ccc(CNc2nc(SCC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002948824 569427136 /nfs/dbraw/zinc/42/71/36/569427136.db2.gz QEDRPRROQBMECT-UHFFFAOYSA-N 0 0 449.963 5.879 50 0 IKAARN O=C(NCc1ccco1)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948500 569427158 /nfs/dbraw/zinc/42/71/58/569427158.db2.gz AWZSYDATRVUEHP-UHFFFAOYSA-N 0 0 428.435 5.928 50 0 IKAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949485 569427230 /nfs/dbraw/zinc/42/72/30/569427230.db2.gz GOPGTOJNEUECJK-NRFANRHFSA-N 0 0 449.881 6.930 50 0 IKAARN CC(=O)N1c2ccccc2C2(C1=O)c1ccc3ccccc3c1Oc1c3ccccc3ccc12 ZINC000226758193 569429267 /nfs/dbraw/zinc/42/92/67/569429267.db2.gz YMKHDDGRPQCHFS-UHFFFAOYSA-N 0 0 441.486 6.326 50 0 IKAARN CC(C)n1c(Sc2nccc(C(F)(F)F)n2)nnc1-c1ccc(Cl)cc1Cl ZINC000029435998 569430038 /nfs/dbraw/zinc/43/00/38/569430038.db2.gz XMXMFLJMPOAGBI-UHFFFAOYSA-N 0 0 434.274 5.793 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000057323080 569431162 /nfs/dbraw/zinc/43/11/62/569431162.db2.gz GVXIIMSHTHNGMK-QFIPXVFZSA-N 0 0 446.881 5.268 50 0 IKAARN COc1ccccc1CN1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 ZINC000057327418 569431171 /nfs/dbraw/zinc/43/11/71/569431171.db2.gz YPDHMNUFKNIKFI-UHFFFAOYSA-N 0 0 427.500 5.053 50 0 biogenic IKAARN COC(=O)c1cc2ccccc2cc1OC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000029596726 569431392 /nfs/dbraw/zinc/43/13/92/569431392.db2.gz MLKSUVRNAOXNMA-UHFFFAOYSA-N 0 0 437.448 5.020 50 0 IKAARN CCCN(CC(=O)c1cc(C)n(Cc2ccccc2)c1C)Cc1nnc(-c2cccs2)o1 ZINC000057358745 569431471 /nfs/dbraw/zinc/43/14/71/569431471.db2.gz OGOAFHUNKUPVHQ-UHFFFAOYSA-N 0 0 448.592 5.360 50 0 IKAARN COc1cccc(-c2nnc(S[C@@H](C)c3nc(-c4ccco4)no3)n2-c2ccccc2)c1 ZINC000029739320 569431920 /nfs/dbraw/zinc/43/19/20/569431920.db2.gz WPBDSZFCSVDQMG-HNNXBMFYSA-N 0 0 445.504 5.439 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002951100 569432031 /nfs/dbraw/zinc/43/20/31/569432031.db2.gz BLGHZAVNABVELK-UHFFFAOYSA-N 0 0 429.863 5.733 50 0 IKAARN O=C(Nc1ccc(Cl)cc1NC(=O)c1ccccc1Br)c1ccccc1 ZINC000002950395 569432041 /nfs/dbraw/zinc/43/20/41/569432041.db2.gz VDUYDOPTRZJSCA-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)[C@@H]1C ZINC000002951018 569432043 /nfs/dbraw/zinc/43/20/43/569432043.db2.gz ANCFARBSFBCJIM-JFIYKMOQSA-N 0 0 447.629 6.641 50 0 IKAARN CCc1sc(NC(=O)c2cc3cccc(OC)c3oc2=O)nc1-c1ccc(Cl)cc1 ZINC000002951677 569432102 /nfs/dbraw/zinc/43/21/02/569432102.db2.gz MRQOWUJPDRMUFK-UHFFFAOYSA-N 0 0 440.908 5.393 50 0 IKAARN CCN(CC)c1ccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)oc2c1 ZINC000002951611 569432151 /nfs/dbraw/zinc/43/21/51/569432151.db2.gz YRGHCQJSLVSFML-UHFFFAOYSA-N 0 0 438.833 5.564 50 0 biogenic IKAARN Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(C)cc(C)c2)c1 ZINC000002953321 569432232 /nfs/dbraw/zinc/43/22/32/569432232.db2.gz AJZDWOUEVPNDLC-WCTVFOPTSA-N 0 0 427.504 5.038 50 0 IKAARN O=C(CCSCc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002953810 569432303 /nfs/dbraw/zinc/43/23/03/569432303.db2.gz QYUYUPCZOGCXBL-UHFFFAOYSA-N 0 0 442.934 5.331 50 0 IKAARN O=C(CSc1nc(-c2ccc(Cl)cc2)cn1-c1ccccc1F)c1cccs1 ZINC000002958007 569432494 /nfs/dbraw/zinc/43/24/94/569432494.db2.gz UHCAPCVLSRDUMQ-UHFFFAOYSA-N 0 0 428.941 6.368 50 0 IKAARN COCCCn1c(SCc2ccccc2Cl)nc2c3ccccc3sc2c1=O ZINC000002961932 569432733 /nfs/dbraw/zinc/43/27/33/569432733.db2.gz FWIITIWNIUMYLC-UHFFFAOYSA-N 0 0 430.982 5.593 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 ZINC000002960552 569432806 /nfs/dbraw/zinc/43/28/06/569432806.db2.gz JYRJQHWFUKVBRU-UHFFFAOYSA-N 0 0 441.266 5.995 50 0 biogenic IKAARN O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccccc3Cl)N12 ZINC000002964391 569432927 /nfs/dbraw/zinc/43/29/27/569432927.db2.gz UUOSHMVAECTLFZ-NRFANRHFSA-N 0 0 431.948 5.475 50 0 IKAARN COc1cccc2cc(-c3nc(-c4ccc(C)cc4)cs3)/c(=N/c3cccc(C)c3)oc21 ZINC000002963960 569432930 /nfs/dbraw/zinc/43/29/30/569432930.db2.gz NTYQBXWZXYQUJR-SGEDCAFJSA-N 0 0 438.552 7.081 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 ZINC000002969940 569433235 /nfs/dbraw/zinc/43/32/35/569433235.db2.gz MVXUHRLAYTWDDV-UHFFFAOYSA-N 0 0 448.588 5.791 50 0 IKAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000230076401 569433332 /nfs/dbraw/zinc/43/33/32/569433332.db2.gz KJHNDAVROAMFKO-AMZPDFMZSA-N 0 0 438.999 5.385 50 0 IKAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000230076406 569433343 /nfs/dbraw/zinc/43/33/43/569433343.db2.gz KJHNDAVROAMFKO-IRMATFOQSA-N 0 0 438.999 5.385 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccccc2SC)cc1 ZINC000002974695 569433525 /nfs/dbraw/zinc/43/35/25/569433525.db2.gz PUMYRTIWOJDSCW-UHFFFAOYSA-N 0 0 438.556 6.562 50 0 IKAARN C[C@@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974971 569433528 /nfs/dbraw/zinc/43/35/28/569433528.db2.gz IATCAPSQFAMHBK-WIYYLYMNSA-N 0 0 445.010 7.368 50 0 IKAARN C[C@@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974975 569433544 /nfs/dbraw/zinc/43/35/44/569433544.db2.gz IATCAPSQFAMHBK-NQIIRXRSSA-N 0 0 445.010 7.368 50 0 IKAARN COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974807 569433570 /nfs/dbraw/zinc/43/35/70/569433570.db2.gz BXZBKXGDMSWAKS-HNNXBMFYSA-N 0 0 426.442 5.553 50 0 IKAARN Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002988412 569434370 /nfs/dbraw/zinc/43/43/70/569434370.db2.gz FREHDMJHTDWVOE-UHFFFAOYSA-N 0 0 426.877 5.190 50 0 IKAARN CC(C)c1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1 ZINC000057425512 569434399 /nfs/dbraw/zinc/43/43/99/569434399.db2.gz OQYZVLPQAXOVBA-UHFFFAOYSA-N 0 0 449.601 5.361 50 0 IKAARN CC(C)Cn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000057426295 569434566 /nfs/dbraw/zinc/43/45/66/569434566.db2.gz IWNJJHOTRAUZKQ-UHFFFAOYSA-N 0 0 442.393 5.152 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002996535 569435050 /nfs/dbraw/zinc/43/50/50/569435050.db2.gz JKEZFQABTLCWTJ-UHFFFAOYSA-N 0 0 434.513 5.077 50 0 IKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)CCCCC2 ZINC000003002636 569435163 /nfs/dbraw/zinc/43/51/63/569435163.db2.gz RPBLOOSBVMAAOI-UHFFFAOYSA-N 0 0 434.561 5.839 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(CC)CC)cc1 ZINC000003006773 569435213 /nfs/dbraw/zinc/43/52/13/569435213.db2.gz VQOZQTHUKDVKPC-QHCPKHFHSA-N 0 0 425.569 5.207 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)C1CCCCC1)CC2 ZINC000003006704 569435214 /nfs/dbraw/zinc/43/52/14/569435214.db2.gz YCGAMHBSWHNFQS-XMMPIXPASA-N 0 0 437.580 5.406 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000003006833 569435232 /nfs/dbraw/zinc/43/52/32/569435232.db2.gz YBEZHCKQHYMILE-DEOSSOPVSA-N 0 0 449.522 5.224 50 0 IKAARN COc1ccccc1CNC(=O)c1cc(Sc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000003007834 569435236 /nfs/dbraw/zinc/43/52/36/569435236.db2.gz OSQGYWUXQBXCOM-UHFFFAOYSA-N 0 0 442.584 6.448 50 0 IKAARN CC(C)c1ccc(Sc2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000003007832 569435242 /nfs/dbraw/zinc/43/52/42/569435242.db2.gz FNGOKWBGMYKXBG-IBGZPJMESA-N 0 0 426.585 7.000 50 0 IKAARN C[C@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000057452441 569435330 /nfs/dbraw/zinc/43/53/30/569435330.db2.gz UALUEOHVMCIOCF-DJJJIMSYSA-N 0 0 433.346 5.356 50 0 IKAARN CC(C)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 ZINC000003011878 569435387 /nfs/dbraw/zinc/43/53/87/569435387.db2.gz FFHPLVSSUUPTCY-WOJGMQOQSA-N 0 0 431.355 5.678 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 ZINC000003011757 569435408 /nfs/dbraw/zinc/43/54/08/569435408.db2.gz HCHINYXERQDTBL-AZUAARDMSA-N 0 0 428.458 5.721 50 0 IKAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4)cc3N2)cc1 ZINC000003010966 569435417 /nfs/dbraw/zinc/43/54/17/569435417.db2.gz IEKYNBGNLXBNLK-MJGOQNOKSA-N 0 0 430.430 5.113 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000003011957 569435462 /nfs/dbraw/zinc/43/54/62/569435462.db2.gz XJTYZTOQGDECMK-PKOBYXMFSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c23)cc1 ZINC000003017654 569435503 /nfs/dbraw/zinc/43/55/03/569435503.db2.gz SFXSWZKNUWIESP-UHFFFAOYSA-N 0 0 443.450 5.091 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000003015913 569435530 /nfs/dbraw/zinc/43/55/30/569435530.db2.gz ZMWUFKNMXXQLSD-UHFFFAOYSA-N 0 0 444.705 5.598 50 0 IKAARN CCOc1ccccc1-n1c2[nH]c(=S)n(-c3ccc(F)cc3)c(=O)c2sc1=S ZINC000003018942 569435579 /nfs/dbraw/zinc/43/55/79/569435579.db2.gz LKFAXUQUMWSSOA-UHFFFAOYSA-N 0 0 431.539 5.168 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 ZINC000057472538 569435622 /nfs/dbraw/zinc/43/56/22/569435622.db2.gz LXUSSCBUJZMOQA-UHFFFAOYSA-N 0 0 437.609 5.516 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c(C)c1 ZINC000057473447 569435743 /nfs/dbraw/zinc/43/57/43/569435743.db2.gz QDCBVBJQNWBYJH-UHFFFAOYSA-N 0 0 449.601 5.048 50 0 IKAARN Cc1ccc(CNC(=O)c2cccnc2SCc2cccc(Br)c2)cc1 ZINC000003021377 569435962 /nfs/dbraw/zinc/43/59/62/569435962.db2.gz MLSZJRNJEXJELK-UHFFFAOYSA-N 0 0 427.367 5.375 50 0 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CCOc1ccccc1NC(=S)N(Cc1cn(CC)c2ccccc12)Cc1ccccc1 ZINC000003029340 569436674 /nfs/dbraw/zinc/43/66/74/569436674.db2.gz YBSWNDYTDGMBCZ-UHFFFAOYSA-N 0 0 443.616 6.459 50 0 IKAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cc(F)ccc1Cl ZINC000057487271 569436684 /nfs/dbraw/zinc/43/66/84/569436684.db2.gz JVQARTDUTRPZBY-UHFFFAOYSA-N 0 0 431.254 5.290 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2cc(C)ccc2C)c2ccccc21 ZINC000003029312 569436692 /nfs/dbraw/zinc/43/66/92/569436692.db2.gz HWYKDPZGZRIURA-UHFFFAOYSA-N 0 0 427.617 6.677 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000057487274 569436710 /nfs/dbraw/zinc/43/67/10/569436710.db2.gz BWDMIVFMQWIRFW-UHFFFAOYSA-N 0 0 443.290 5.159 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1C ZINC000057487726 569436823 /nfs/dbraw/zinc/43/68/23/569436823.db2.gz BHWJSOPWBFONOP-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1 ZINC000057487944 569436883 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CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000003033253 569437810 /nfs/dbraw/zinc/43/78/10/569437810.db2.gz MZJVMWYVMQGALA-UHFFFAOYSA-N 0 0 440.572 6.060 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000003033263 569437824 /nfs/dbraw/zinc/43/78/24/569437824.db2.gz VJLVCEZCZJSULS-UHFFFAOYSA-N 0 0 442.544 5.335 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000003033186 569437828 /nfs/dbraw/zinc/43/78/28/569437828.db2.gz YGQGUNHNIRTPLT-NRFANRHFSA-N 0 0 445.469 5.151 50 0 IKAARN COc1ccc(-n2c(=O)c3sc(=S)n(-c4ccc(Cl)c(C)c4)c3[nH]c2=S)cc1 ZINC000003034525 569437861 /nfs/dbraw/zinc/43/78/61/569437861.db2.gz KWYMWPPINNASCO-UHFFFAOYSA-N 0 0 447.994 5.600 50 0 IKAARN Cc1ccc(-c2nc3ccc(C(=O)NCc4ccccc4)cc3nc2-c2ccc(C)cc2)cc1 ZINC000003033533 569437879 /nfs/dbraw/zinc/43/78/79/569437879.db2.gz BERUGMOZFKBRDC-UHFFFAOYSA-N 0 0 443.550 6.511 50 0 IKAARN Cc1nc2c(C(=O)N[C@H]3CCCC[C@H]3C)cnn2c(C)c1Cc1ccc(F)cc1Cl ZINC000003033449 569437910 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O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(F)cc2Cl)N1C1CCCCCCC1 ZINC000003039557 569438066 /nfs/dbraw/zinc/43/80/66/569438066.db2.gz PVOFLKAKRCSUJW-XMMPIXPASA-N 0 0 449.010 6.027 50 0 IKAARN Cc1ccc(S/C(=C\Cl)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000057505520 569438219 /nfs/dbraw/zinc/43/82/19/569438219.db2.gz AMPPSGBDTDFKMW-UVTDQMKNSA-N 0 0 435.039 6.549 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000003041305 569438401 /nfs/dbraw/zinc/43/84/01/569438401.db2.gz FXJIUYNCUCFSHD-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000003041374 569438404 /nfs/dbraw/zinc/43/84/04/569438404.db2.gz HXMOZYJVVBFMGP-UHFFFAOYSA-N 0 0 443.664 5.387 50 0 IKAARN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccccc4Cl)cnn3c2C)c(C)c1 ZINC000003041071 569438407 /nfs/dbraw/zinc/43/84/07/569438407.db2.gz VCNZXKVGUZKTBA-UHFFFAOYSA-N 0 0 446.982 5.446 50 0 IKAARN Cc1cccc(CN2c3cc(C(=O)NCCC(C)C)ccc3Sc3ccccc3C2=O)c1 ZINC000003040773 569438421 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O=C(Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000003047473 569438694 /nfs/dbraw/zinc/43/86/94/569438694.db2.gz SLTBDCCEDUITOR-UHFFFAOYSA-N 0 0 439.367 6.965 50 0 IKAARN O=C(CSc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000003047533 569438730 /nfs/dbraw/zinc/43/87/30/569438730.db2.gz VYNDPIOJBVPZQQ-UHFFFAOYSA-N 0 0 428.888 6.213 50 0 IKAARN O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000003047463 569438731 /nfs/dbraw/zinc/43/87/31/569438731.db2.gz RKAGMTCWUWLZNB-UHFFFAOYSA-N 0 0 439.367 6.965 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Sc1ccc(F)cc1 ZINC000003048851 569438874 /nfs/dbraw/zinc/43/88/74/569438874.db2.gz HNBBNZBKZGIXFW-QFIPXVFZSA-N 0 0 434.536 5.743 50 0 IKAARN COC(=O)c1c(-c2ccccc2)noc1-c1cn(-c2ccc(C)cc2)nc1C(F)(F)F ZINC000003048849 569438890 /nfs/dbraw/zinc/43/88/90/569438890.db2.gz BDVVQOLYCDJERC-UHFFFAOYSA-N 0 0 427.382 5.308 50 0 IKAARN O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2)N1CCCCC1 ZINC000003050062 569438962 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IKAARN Cc1cc(C)cc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=N[C@@H](C)C2=O)c1 ZINC000003055716 569439335 /nfs/dbraw/zinc/43/93/35/569439335.db2.gz ZFYQLQBDTUHYJZ-SFHVURJKSA-N 0 0 445.950 5.168 50 0 IKAARN Cc1cccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=N[C@@H](C)C2=O)c1C ZINC000003055974 569439341 /nfs/dbraw/zinc/43/93/41/569439341.db2.gz XHJYDTTVEMVVCB-SFHVURJKSA-N 0 0 445.950 5.168 50 0 IKAARN Cc1cccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=N[C@H](C)C2=O)c1C ZINC000003055976 569439351 /nfs/dbraw/zinc/43/93/51/569439351.db2.gz XHJYDTTVEMVVCB-GOSISDBHSA-N 0 0 445.950 5.168 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003058543 569439387 /nfs/dbraw/zinc/43/93/87/569439387.db2.gz NMQZHHJVIUFUPV-IWIPYMOSSA-N 0 0 428.557 5.823 50 0 IKAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000003059206 569439422 /nfs/dbraw/zinc/43/94/22/569439422.db2.gz MMWOVPWWZPFROW-UHFFFAOYSA-N 0 0 426.950 5.135 50 0 IKAARN CC1(C)[C@H](C(=O)O[C@@H](C(N)=O)c2cccc(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl ZINC000230140233 569439503 /nfs/dbraw/zinc/43/95/03/569439503.db2.gz APXUYVIALTYBMS-NZSAHSFTSA-N 0 0 434.319 5.140 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000057541860 569439567 /nfs/dbraw/zinc/43/95/67/569439567.db2.gz GZQOVTRWNODYQI-SPLOXXLWSA-N 0 0 432.948 5.564 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000057541862 569439569 /nfs/dbraw/zinc/43/95/69/569439569.db2.gz GZQOVTRWNODYQI-LHSJRXKWSA-N 0 0 432.948 5.564 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000003063525 569439625 /nfs/dbraw/zinc/43/96/25/569439625.db2.gz KLGNYXKLQLCNCZ-UHFFFAOYSA-N 0 0 428.454 5.293 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc(Cc3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000003063730 569439632 /nfs/dbraw/zinc/43/96/32/569439632.db2.gz QXTSEWPMLQJLJU-UHFFFAOYSA-N 0 0 444.909 7.185 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064081 569439719 /nfs/dbraw/zinc/43/97/19/569439719.db2.gz ZLDWMGDHPGBPGI-RRFFURKPSA-N 0 0 426.541 5.579 50 0 IKAARN COc1ccc(Cl)cc1-c1csc(-c2cc3ccc(OC(C)=O)cc3oc2=O)n1 ZINC000003073025 569439847 /nfs/dbraw/zinc/43/98/47/569439847.db2.gz JZYSNSCZRSHCQT-UHFFFAOYSA-N 0 0 427.865 5.171 50 0 IKAARN CC(=O)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(Br)cc1)n3CCCC2 ZINC000003104158 569440202 /nfs/dbraw/zinc/44/02/02/569440202.db2.gz KHLGWOUDTPODMZ-UHFFFAOYSA-N 0 0 433.349 6.376 50 0 IKAARN Clc1ccc(Oc2cc(CSc3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 ZINC000003104479 569440206 /nfs/dbraw/zinc/44/02/06/569440206.db2.gz ZPTGGKKPMBWYKW-UHFFFAOYSA-N 0 0 439.367 7.535 50 0 IKAARN COC(=O)CCCNc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000003104281 569440228 /nfs/dbraw/zinc/44/02/28/569440228.db2.gz LVCDBDMONBRUOT-UHFFFAOYSA-N 0 0 429.826 5.368 50 0 IKAARN Cn1nc(CSc2ccc(Cl)cc2)c(CSc2ccccc2Cl)c1Cl ZINC000003105796 569440260 /nfs/dbraw/zinc/44/02/60/569440260.db2.gz MFDNNLLIFSFFAT-UHFFFAOYSA-N 0 0 429.825 6.965 50 0 IKAARN Cn1nc(CSc2ccccc2)c(CSc2c(Cl)cccc2Cl)c1Cl ZINC000003105910 569440271 /nfs/dbraw/zinc/44/02/71/569440271.db2.gz UGCLVFLYUUJELI-UHFFFAOYSA-N 0 0 429.825 6.965 50 0 IKAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1Cl ZINC000230226075 569440340 /nfs/dbraw/zinc/44/03/40/569440340.db2.gz YVLQHNFPJCUFIA-PEISPCAHSA-N 0 0 427.931 5.891 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccccc1 ZINC000003108487 569440354 /nfs/dbraw/zinc/44/03/54/569440354.db2.gz ZMUODLAAKICREI-UHFFFAOYSA-N 0 0 431.311 5.002 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl ZINC000003116765 569440422 /nfs/dbraw/zinc/44/04/22/569440422.db2.gz HKYBANIKCDDZJW-UHFFFAOYSA-N 0 0 440.735 5.732 50 0 IKAARN Cc1cccc(OP(=O)(Nc2ccccc2Br)Oc2cccc(C)c2)c1 ZINC000003123390 569440506 /nfs/dbraw/zinc/44/05/06/569440506.db2.gz NVUWXYCVRSWBJB-UHFFFAOYSA-N 0 0 432.254 6.744 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2Sc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003128162 569440644 /nfs/dbraw/zinc/44/06/44/569440644.db2.gz UAXHCBLZRXSMSM-UHFFFAOYSA-N 0 0 438.858 6.166 50 0 IKAARN CCN(CC)c1nc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2cc(C)ccc2C)n1 ZINC000030072290 569440655 /nfs/dbraw/zinc/44/06/55/569440655.db2.gz RWKIEYXTPDNFRK-UHFFFAOYSA-N 0 0 431.371 6.129 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003134472 569440724 /nfs/dbraw/zinc/44/07/24/569440724.db2.gz BJXFUYRPCWJSEM-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN O=C(c1oc2ccccc2c1CSc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000003133626 569440725 /nfs/dbraw/zinc/44/07/25/569440725.db2.gz GYAFJWIPEVHUQV-UHFFFAOYSA-N 0 0 446.877 7.628 50 0 IKAARN O=C(c1oc2ccccc2c1CSc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000003133638 569440759 /nfs/dbraw/zinc/44/07/59/569440759.db2.gz XCLDXMXNWCOXKN-UHFFFAOYSA-N 0 0 447.770 7.916 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cccnc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000003135020 569440785 /nfs/dbraw/zinc/44/07/85/569440785.db2.gz QWHSOBAAJOVGQN-UHFFFAOYSA-N 0 0 444.265 6.206 50 0 IKAARN Cc1ccc(Oc2c(COC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)nn2C)cc1 ZINC000003135108 569440811 /nfs/dbraw/zinc/44/08/11/569440811.db2.gz JVLPJLXEYRDVBT-UHFFFAOYSA-N 0 0 432.907 6.198 50 0 IKAARN Cc1ccccc1N[C@@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003147784 569440904 /nfs/dbraw/zinc/44/09/04/569440904.db2.gz ZGOSMXWAOYJYSG-HNNXBMFYSA-N 0 0 436.564 5.296 50 0 IKAARN O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)OC[C@H]1CCCO1 ZINC000003163999 569441040 /nfs/dbraw/zinc/44/10/40/569441040.db2.gz PDFINVHQUYHSJC-BXKDBHETSA-N 0 0 436.550 5.007 50 0 IKAARN O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)OC[C@@H]1CCCO1 ZINC000003164002 569441041 /nfs/dbraw/zinc/44/10/41/569441041.db2.gz PDFINVHQUYHSJC-JOYOIKCWSA-N 0 0 436.550 5.007 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003173922 569441240 /nfs/dbraw/zinc/44/12/40/569441240.db2.gz VTDPDUALSVGCPY-UHFFFAOYSA-N 0 0 426.278 6.238 50 0 IKAARN O=P1(N2CCN(c3ccccc3)CC2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174514 569441235 /nfs/dbraw/zinc/44/12/35/569441235.db2.gz NXECZOXVKFLGLH-UHFFFAOYSA-N 0 0 444.540 6.831 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000003173296 569441236 /nfs/dbraw/zinc/44/12/36/569441236.db2.gz KOGGJSPYVOBKRJ-UHFFFAOYSA-N 0 0 432.373 5.428 50 0 IKAARN O=C(NC1(C(Cl)(Cl)Cl)Oc2cc(Cl)c(Cl)cc2O1)c1ccccc1F ZINC000003175443 569441275 /nfs/dbraw/zinc/44/12/75/569441275.db2.gz OUYXMFSSQNDBJL-UHFFFAOYSA-N 0 0 445.488 5.358 50 0 IKAARN c1c(-c2ccccc2)nn(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1-c1ccccc1 ZINC000003178350 569441332 /nfs/dbraw/zinc/44/13/32/569441332.db2.gz MRZRACNZFUKHNS-UHFFFAOYSA-N 0 0 440.506 6.923 50 0 IKAARN CC(C)CCOc1cccc(OCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 ZINC000003179932 569441346 /nfs/dbraw/zinc/44/13/46/569441346.db2.gz LGZQZUFSAPBBFT-UHFFFAOYSA-N 0 0 436.986 5.967 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003186868 569441355 /nfs/dbraw/zinc/44/13/55/569441355.db2.gz MXNQOINMYBLTPI-UHFFFAOYSA-N 0 0 439.858 5.553 50 0 IKAARN Nc1ccc(C(OC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003189090 569441450 /nfs/dbraw/zinc/44/14/50/569441450.db2.gz FWMBOOOJWQQNKE-UHFFFAOYSA-N 0 0 432.147 5.753 50 0 IKAARN CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000003188356 569441451 /nfs/dbraw/zinc/44/14/51/569441451.db2.gz JWUTVHLKIKBJGA-UHFFFAOYSA-N 0 0 438.622 5.400 50 0 IKAARN CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000003188304 569441470 /nfs/dbraw/zinc/44/14/70/569441470.db2.gz XVDZBLUTAZJVOP-UHFFFAOYSA-N 0 0 438.622 5.400 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccccc1Sc1ncnc2sc3c(c21)CCCC3 ZINC000003192712 569441511 /nfs/dbraw/zinc/44/15/11/569441511.db2.gz VXCJFZJOHPQUTP-UHFFFAOYSA-N 0 0 432.574 6.365 50 0 IKAARN C[C@H]1Cc2ccccc2N1c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 ZINC000003192527 569441513 /nfs/dbraw/zinc/44/15/13/569441513.db2.gz BTXOXBKUDJGJGP-NSHDSACASA-N 0 0 425.362 5.365 50 0 IKAARN CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000003197499 569441558 /nfs/dbraw/zinc/44/15/58/569441558.db2.gz SCFHXYHZMJRPHD-QGZVFWFLSA-N 0 0 441.262 5.536 50 0 IKAARN CN(c1ccccc1)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 ZINC000003202704 569441643 /nfs/dbraw/zinc/44/16/43/569441643.db2.gz KDISIBPFMSZDCA-UHFFFAOYSA-N 0 0 429.542 7.222 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(Br)c(C)c3)ccc21 ZINC000003200058 569441649 /nfs/dbraw/zinc/44/16/49/569441649.db2.gz VGWKOCNHWQRBQJ-UHFFFAOYSA-N 0 0 437.337 5.903 50 0 IKAARN CC(C)N(C(C)C)[P@@](=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 ZINC000003203958 569441666 /nfs/dbraw/zinc/44/16/66/569441666.db2.gz YJYRVZWCHXRNGE-QHCPKHFHSA-N 0 0 439.578 7.085 50 0 IKAARN Cc1ccc(NC(=S)NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 ZINC000003205711 569441710 /nfs/dbraw/zinc/44/17/10/569441710.db2.gz BLTHATGOPUVGSB-UHFFFAOYSA-N 0 0 447.500 6.092 50 0 IKAARN Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1-c1nc2ccccc2s1 ZINC000003211871 569441738 /nfs/dbraw/zinc/44/17/38/569441738.db2.gz QIQITUHGRQZJOU-UHFFFAOYSA-N 0 0 427.554 6.582 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)n1 ZINC000003211908 569441744 /nfs/dbraw/zinc/44/17/44/569441744.db2.gz RLMLQSNITUPHFS-UHFFFAOYSA-N 0 0 429.907 5.626 50 0 IKAARN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cccc2ccccc21 ZINC000003210753 569441764 /nfs/dbraw/zinc/44/17/64/569441764.db2.gz PDYUSSBTMSVENU-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003215236 569441815 /nfs/dbraw/zinc/44/18/15/569441815.db2.gz NEYLJUNGIAFGIV-UHFFFAOYSA-N 0 0 429.523 6.767 50 0 IKAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cc(Cl)ccc1Cl ZINC000003216280 569441858 /nfs/dbraw/zinc/44/18/58/569441858.db2.gz FVVYLVPQXSANAT-UHFFFAOYSA-N 0 0 428.271 5.413 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000003217130 569441866 /nfs/dbraw/zinc/44/18/66/569441866.db2.gz YIJQAMQEAZAOFM-UHFFFAOYSA-N 0 0 437.495 5.793 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1cc(Cl)ccc1Cl ZINC000003217048 569441871 /nfs/dbraw/zinc/44/18/71/569441871.db2.gz GJPFRPUACZLTFT-UHFFFAOYSA-N 0 0 441.270 5.597 50 0 IKAARN Cc1cc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)ccc1Br ZINC000003216359 569441887 /nfs/dbraw/zinc/44/18/87/569441887.db2.gz GQDLVGZUTODRBT-UHFFFAOYSA-N 0 0 438.321 5.144 50 0 IKAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC(=O)c1ccc(F)cc1 ZINC000003220283 569441975 /nfs/dbraw/zinc/44/19/75/569441975.db2.gz XVDBJMLBXUNMPI-GOSISDBHSA-N 0 0 431.813 5.361 50 0 IKAARN CCN(Cc1ccncc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S ZINC000003221583 569442008 /nfs/dbraw/zinc/44/20/08/569442008.db2.gz WCGLNBYEWCJJGM-UHFFFAOYSA-N 0 0 437.519 5.223 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N(c3ccccc3)C(C)C)nnc2-c2cccs2)cc1 ZINC000003223829 569442074 /nfs/dbraw/zinc/44/20/74/569442074.db2.gz RUVJDWHBPVNRQS-UHFFFAOYSA-N 0 0 448.617 5.838 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1ccccc1F ZINC000003224355 569442086 /nfs/dbraw/zinc/44/20/86/569442086.db2.gz ZHETUCITDBYHPX-UHFFFAOYSA-N 0 0 432.904 5.435 50 0 IKAARN COc1ccc2nc(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)sc2c1 ZINC000003225448 569442138 /nfs/dbraw/zinc/44/21/38/569442138.db2.gz UWHSETFNHQGZSP-UHFFFAOYSA-N 0 0 443.764 6.732 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003227579 569442169 /nfs/dbraw/zinc/44/21/69/569442169.db2.gz WDTAUDUALHIUDD-UHFFFAOYSA-N 0 0 435.479 5.939 50 0 IKAARN CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003226714 569442195 /nfs/dbraw/zinc/44/21/95/569442195.db2.gz LOKSPEBSFVGVSW-UHFFFAOYSA-N 0 0 430.529 5.882 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000003227801 569442211 /nfs/dbraw/zinc/44/22/11/569442211.db2.gz GAQHNQNBVRGGNI-OAQYLSRUSA-N 0 0 447.478 5.572 50 0 IKAARN O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000057868254 569442256 /nfs/dbraw/zinc/44/22/56/569442256.db2.gz XMZUTAXQHWITOU-UHFFFAOYSA-N 0 0 431.835 5.555 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)C1=C2SC=C(c3ccc(F)cc3)N2CCCC1 ZINC000003231581 569442274 /nfs/dbraw/zinc/44/22/74/569442274.db2.gz WSLPDRNCDPJNHA-UHFFFAOYSA-N 0 0 434.458 6.226 50 0 IKAARN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003230550 569442291 /nfs/dbraw/zinc/44/22/91/569442291.db2.gz CZGCWMKENLTMTP-SFHVURJKSA-N 0 0 426.025 6.973 50 0 IKAARN COc1ccc(C(=O)COC(=O)CSc2ccc3ccccc3c2Br)cc1 ZINC000003233320 569442336 /nfs/dbraw/zinc/44/23/36/569442336.db2.gz UVTOBFPOPCNFRU-UHFFFAOYSA-N 0 0 445.334 5.129 50 0 IKAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(Cl)c1Cl ZINC000003234461 569442353 /nfs/dbraw/zinc/44/23/53/569442353.db2.gz QNXFTSZQWZQSAE-UHFFFAOYSA-N 0 0 428.271 5.413 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)s2)cc1 ZINC000003235182 569442392 /nfs/dbraw/zinc/44/23/92/569442392.db2.gz KVWCLKSEBYOMPA-UHFFFAOYSA-N 0 0 425.366 5.628 50 0 IKAARN COc1ccc2nc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn43)sc2c1 ZINC000003235344 569442404 /nfs/dbraw/zinc/44/24/04/569442404.db2.gz DUXLCDPDOZSSEU-UHFFFAOYSA-N 0 0 427.485 5.046 50 0 IKAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1Br ZINC000003235321 569442418 /nfs/dbraw/zinc/44/24/18/569442418.db2.gz OSGPUEBCRSJKGG-UHFFFAOYSA-N 0 0 437.946 5.700 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1 ZINC000003236475 569442443 /nfs/dbraw/zinc/44/24/43/569442443.db2.gz JRGKVUCWJNSHIP-NRFANRHFSA-N 0 0 445.559 5.791 50 0 IKAARN O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Oc1ccccc1 ZINC000003235655 569442480 /nfs/dbraw/zinc/44/24/80/569442480.db2.gz GLWNCSOQAHMJEA-UHFFFAOYSA-N 0 0 429.394 5.222 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003239069 569442507 /nfs/dbraw/zinc/44/25/07/569442507.db2.gz FAWXSEQUJYSXHJ-UHFFFAOYSA-N 0 0 437.106 5.169 50 0 IKAARN CC[C@H](C(=O)OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccccc1 ZINC000003239427 569442524 /nfs/dbraw/zinc/44/25/24/569442524.db2.gz NQROHNPBFYQAFQ-NRFANRHFSA-N 0 0 444.556 5.947 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(Nc2ccc(Br)cc2)c1Br ZINC000003239376 569442526 /nfs/dbraw/zinc/44/25/26/569442526.db2.gz WUYRJTATNFPRLA-UHFFFAOYSA-N 0 0 441.554 6.103 50 0 IKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1csc(-c2cccs2)n1 ZINC000030476595 569442626 /nfs/dbraw/zinc/44/26/26/569442626.db2.gz VGGFDAPSLNLQOF-UHFFFAOYSA-N 0 0 426.588 5.784 50 0 IKAARN C[C@H](NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2)c1ccccc1 ZINC000003244718 569442666 /nfs/dbraw/zinc/44/26/66/569442666.db2.gz JBKHYHCTFXALFD-AZUAARDMSA-N 0 0 444.575 5.420 50 0 IKAARN C[C@H](NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2)c1ccccc1 ZINC000003244713 569442679 /nfs/dbraw/zinc/44/26/79/569442679.db2.gz JBKHYHCTFXALFD-ICSRJNTNSA-N 0 0 444.575 5.420 50 0 IKAARN Cc1nc2c(cc(Oc3ncnc4scc(-c5ccc(C)cc5)c43)c3ccsc32)s1 ZINC000003244101 569442693 /nfs/dbraw/zinc/44/26/93/569442693.db2.gz WAWFUKGLWGLPGQ-UHFFFAOYSA-N 0 0 445.594 7.592 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(C)c1 ZINC000003246506 569442766 /nfs/dbraw/zinc/44/27/66/569442766.db2.gz VSZWJPNQGJLMCG-UHFFFAOYSA-N 0 0 443.576 5.294 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](OC(=O)c1ccccc1O)c1ccccc1 ZINC000003247225 569442776 /nfs/dbraw/zinc/44/27/76/569442776.db2.gz SYPOBDLKJSAJCP-LJQANCHMSA-N 0 0 449.812 5.601 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)CC3)cc1 ZINC000003246901 569442790 /nfs/dbraw/zinc/44/27/90/569442790.db2.gz OBKGAMJLHNSALK-HXUWFJFHSA-N 0 0 429.560 5.988 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](OC(=O)c1ccncc1)c1ccccc1 ZINC000003250073 569442830 /nfs/dbraw/zinc/44/28/30/569442830.db2.gz VBEBAEUVJUOYFM-GOSISDBHSA-N 0 0 434.801 5.291 50 0 IKAARN O=c1oc2c(ccc(OCc3ccccc3F)c2OCc2ccccc2F)c2c1CCC2 ZINC000003248912 569442857 /nfs/dbraw/zinc/44/28/57/569442857.db2.gz GQAUQPTWDDMQDB-UHFFFAOYSA-N 0 0 434.438 5.718 50 0 IKAARN O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000003248678 569442868 /nfs/dbraw/zinc/44/28/68/569442868.db2.gz GIPRISLNGWPEOM-JOCHJYFZSA-N 0 0 425.937 5.033 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000003252377 569442954 /nfs/dbraw/zinc/44/29/54/569442954.db2.gz WZDXISCNISOGQH-PXLXIMEGSA-N 0 0 431.451 5.630 50 0 IKAARN C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003252471 569442991 /nfs/dbraw/zinc/44/29/91/569442991.db2.gz MIJYCUKEMITICC-KRWDZBQOSA-N 0 0 427.456 5.522 50 0 IKAARN Cc1ccc(NC(=O)c2sc(Nc3c(F)cccc3F)nc2-c2ccccc2)cc1C ZINC000003253433 569443000 /nfs/dbraw/zinc/44/30/00/569443000.db2.gz NWMBSEFNPHZLRT-UHFFFAOYSA-N 0 0 435.499 6.701 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)Nc1ccccc1F ZINC000003259946 569443177 /nfs/dbraw/zinc/44/31/77/569443177.db2.gz JDDAZLIOUASAGH-UHFFFAOYSA-N 0 0 434.854 5.490 50 0 IKAARN C[C@@H]1CCCC[C@H]1n1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCCC2)c1=S ZINC000003259374 569443203 /nfs/dbraw/zinc/44/32/03/569443203.db2.gz COXAQTAYYXUWOZ-DENIHFKCSA-N 0 0 426.674 6.573 50 0 IKAARN O=C(c1ccc(F)cc1)N1CCCCC[C@@H]1Sc1ncnc2sc3c(c21)CCC3 ZINC000003264272 569443355 /nfs/dbraw/zinc/44/33/55/569443355.db2.gz KWSISXHFJDJTJQ-SFHVURJKSA-N 0 0 427.570 5.454 50 0 IKAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003264748 569443358 /nfs/dbraw/zinc/44/33/58/569443358.db2.gz IYJQBLNVEWOTLH-UHFFFAOYSA-N 0 0 443.824 5.492 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)Nc1ccc(Cl)cc1Cl ZINC000003265644 569443409 /nfs/dbraw/zinc/44/34/09/569443409.db2.gz LIFGSSPQGFTHPD-UHFFFAOYSA-N 0 0 443.330 5.606 50 0 IKAARN Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003270217 569443521 /nfs/dbraw/zinc/44/35/21/569443521.db2.gz DHMHMRPSVCZWOP-UHFFFAOYSA-N 0 0 448.828 5.525 50 0 IKAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000003270324 569443530 /nfs/dbraw/zinc/44/35/30/569443530.db2.gz KKPCIKRRAOTZGB-KAYWLYCHSA-N 0 0 438.548 6.687 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)cc1 ZINC000003270464 569443549 /nfs/dbraw/zinc/44/35/49/569443549.db2.gz SXZDEARHVVEHGO-UHFFFAOYSA-N 0 0 426.354 5.023 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nc4c(cc(F)c(F)c4F)s3)c3ccccc3n2)cc1 ZINC000003271908 569443572 /nfs/dbraw/zinc/44/35/72/569443572.db2.gz DJNMRUXUBUONFC-UHFFFAOYSA-N 0 0 449.457 6.490 50 0 IKAARN CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003273841 569443635 /nfs/dbraw/zinc/44/36/35/569443635.db2.gz CPBMIHHBYVYACY-GOSISDBHSA-N 0 0 447.343 5.647 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC000003275218 569443705 /nfs/dbraw/zinc/44/37/05/569443705.db2.gz ZUGBQHLVELJPCA-RUZDIDTESA-N 0 0 441.483 5.481 50 0 IKAARN CN(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(F)c(Cl)c2)c1=S ZINC000003276960 569443732 /nfs/dbraw/zinc/44/37/32/569443732.db2.gz RTXOROHVBKKRSV-UHFFFAOYSA-N 0 0 431.751 5.689 50 0 IKAARN O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)NCCC1=CCCCC1 ZINC000003276369 569443741 /nfs/dbraw/zinc/44/37/41/569443741.db2.gz QZNMRWDTJQKHSM-UHFFFAOYSA-N 0 0 427.928 5.083 50 0 IKAARN CCc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1 ZINC000003280239 569443853 /nfs/dbraw/zinc/44/38/53/569443853.db2.gz SVMFRSNSZFCAEM-UHFFFAOYSA-N 0 0 447.560 5.653 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000003280339 569443866 /nfs/dbraw/zinc/44/38/66/569443866.db2.gz XLWXGTUHGBNBGB-UHFFFAOYSA-N 0 0 446.370 5.028 50 0 IKAARN CN(C)c1cccc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 ZINC000003279867 569443868 /nfs/dbraw/zinc/44/38/68/569443868.db2.gz VASOPKMZGRJUDH-NRFANRHFSA-N 0 0 443.330 5.596 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2C(F)(F)F)c2ccccc2)c1 ZINC000003280621 569443888 /nfs/dbraw/zinc/44/38/88/569443888.db2.gz ZGRMMHRZJMLQSK-NRFANRHFSA-N 0 0 441.405 5.445 50 0 IKAARN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cc(Br)ccc1Cl ZINC000003281181 569443889 /nfs/dbraw/zinc/44/38/89/569443889.db2.gz DOYZYKUPKYUHPE-UHFFFAOYSA-N 0 0 435.730 5.088 50 0 IKAARN Clc1ccc(SCc2nc3sc4c(c3c(NC3CCCCCC3)n2)CCC4)cc1 ZINC000003282280 569443898 /nfs/dbraw/zinc/44/38/98/569443898.db2.gz IOPCKTDOSONLQN-UHFFFAOYSA-N 0 0 444.069 7.260 50 0 IKAARN CCNc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000003281219 569443912 /nfs/dbraw/zinc/44/39/12/569443912.db2.gz VNGBGRJCDODKNU-UHFFFAOYSA-N 0 0 434.428 6.057 50 0 IKAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(=O)Nc4ccccc4N32)cc1 ZINC000003283380 569443930 /nfs/dbraw/zinc/44/39/30/569443930.db2.gz IRIJPODRPLROHK-HSZRJFAPSA-N 0 0 435.487 5.431 50 0 IKAARN CCCCCCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 ZINC000003282905 569443970 /nfs/dbraw/zinc/44/39/70/569443970.db2.gz SDLHTLSVUQXTKE-UHFFFAOYSA-N 0 0 443.041 7.081 50 0 IKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)c1ccc(Cl)cc1 ZINC000003284808 569444043 /nfs/dbraw/zinc/44/40/43/569444043.db2.gz CJDRXEWJYBBKFS-UHFFFAOYSA-N 0 0 443.018 6.612 50 0 IKAARN CCc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2ccncc2)cc1 ZINC000003284684 569444084 /nfs/dbraw/zinc/44/40/84/569444084.db2.gz IWYQGPZGLFOYRI-UHFFFAOYSA-N 0 0 440.494 6.203 50 0 IKAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 ZINC000003286483 569444137 /nfs/dbraw/zinc/44/41/37/569444137.db2.gz YGBCEVABEKRSLH-UHFFFAOYSA-N 0 0 431.323 6.068 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2o1)CSc1nc2cc(Cl)ccc2o1 ZINC000003287875 569444178 /nfs/dbraw/zinc/44/41/78/569444178.db2.gz RPSRHUGGHMQWRQ-UHFFFAOYSA-N 0 0 425.318 5.729 50 0 IKAARN Cc1oc2cc(OCC(=O)Nc3ccccc3F)ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000003289921 569444230 /nfs/dbraw/zinc/44/42/30/569444230.db2.gz VVZIJURSJOQMML-UHFFFAOYSA-N 0 0 437.398 5.189 50 0 IKAARN O=C(N1CCC[C@H]1c1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000057993513 569444291 /nfs/dbraw/zinc/44/42/91/569444291.db2.gz DBGDOGRJRBHYRW-ROUUACIJSA-N 0 0 434.590 6.000 50 0 IKAARN CC(C)N(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003290616 569444372 /nfs/dbraw/zinc/44/43/72/569444372.db2.gz DXLLMUJCFVRJOA-UHFFFAOYSA-N 0 0 435.907 5.169 50 0 IKAARN Cc1cccc(C)c1Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000003290517 569444378 /nfs/dbraw/zinc/44/43/78/569444378.db2.gz QYGNIAQRHABFFH-UHFFFAOYSA-N 0 0 438.500 5.648 50 0 IKAARN COc1cccc(N(CC(=O)Nc2ccccc2C(C)C)c2nc3ccccc3s2)c1 ZINC000003290939 569444423 /nfs/dbraw/zinc/44/44/23/569444423.db2.gz LBYQSLOAOAWKFZ-UHFFFAOYSA-N 0 0 431.561 6.205 50 0 IKAARN COc1ccc(CN[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1OC ZINC000003291419 569444449 /nfs/dbraw/zinc/44/44/49/569444449.db2.gz CGMWPNWPRYIIOC-QFIPXVFZSA-N 0 0 445.346 5.480 50 0 IKAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003293896 569444548 /nfs/dbraw/zinc/44/45/48/569444548.db2.gz JWHKSMLVEFCEDY-UHFFFAOYSA-N 0 0 439.726 5.633 50 0 IKAARN CCN(CC)c1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000003294029 569444551 /nfs/dbraw/zinc/44/45/51/569444551.db2.gz CPMXCRJYVOLHOV-UHFFFAOYSA-N 0 0 429.731 5.289 50 0 IKAARN CCN(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1cccc2ccccc21 ZINC000003295007 569444569 /nfs/dbraw/zinc/44/45/69/569444569.db2.gz SRSMGXLDGGQLIE-UHFFFAOYSA-N 0 0 431.348 5.335 50 0 IKAARN Cc1cccc(C)c1Nc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 ZINC000003294874 569444576 /nfs/dbraw/zinc/44/45/76/569444576.db2.gz VPCPIUGCHYBNBS-UHFFFAOYSA-N 0 0 440.638 5.818 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl ZINC000003294451 569444577 /nfs/dbraw/zinc/44/45/77/569444577.db2.gz MVJBVENGYCTXAB-UHFFFAOYSA-N 0 0 433.891 5.748 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCOc3ccc(C)cc3)cc12 ZINC000003294658 569444591 /nfs/dbraw/zinc/44/45/91/569444591.db2.gz ACLALDFZAIVPSA-UHFFFAOYSA-N 0 0 425.941 5.166 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000003295669 569444663 /nfs/dbraw/zinc/44/46/63/569444663.db2.gz UZQCIWMOUNCFOY-UHFFFAOYSA-N 0 0 429.636 5.583 50 0 IKAARN O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003297352 569444780 /nfs/dbraw/zinc/44/47/80/569444780.db2.gz VZAGSWRXRSOKJY-UHFFFAOYSA-N 0 0 426.605 5.461 50 0 IKAARN Cc1nnc(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1-c1ccccc1 ZINC000003297415 569444816 /nfs/dbraw/zinc/44/48/16/569444816.db2.gz JODJITZLVILGMO-QHCPKHFHSA-N 0 0 433.508 5.615 50 0 IKAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc(OC(F)F)cc1 ZINC000003297409 569444828 /nfs/dbraw/zinc/44/48/28/569444828.db2.gz VTPWDJTYGXLUAG-QFIPXVFZSA-N 0 0 430.378 5.392 50 0 IKAARN Cc1nnc(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)n1-c1ccccc1 ZINC000003297417 569444847 /nfs/dbraw/zinc/44/48/47/569444847.db2.gz JODJITZLVILGMO-HSZRJFAPSA-N 0 0 433.508 5.615 50 0 IKAARN O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1c(F)cccc1F ZINC000003298296 569444857 /nfs/dbraw/zinc/44/48/57/569444857.db2.gz MNYSERYWPMJXLG-UHFFFAOYSA-N 0 0 430.457 5.099 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000003297597 569444872 /nfs/dbraw/zinc/44/48/72/569444872.db2.gz MCTAYJPRIMHJFN-QHCPKHFHSA-N 0 0 447.987 7.186 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000003299886 569444903 /nfs/dbraw/zinc/44/49/03/569444903.db2.gz MULNOVYFKGCMCD-UHFFFAOYSA-N 0 0 435.307 5.233 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c(C)c1 ZINC000058010904 569444995 /nfs/dbraw/zinc/44/49/95/569444995.db2.gz HZWDHDKOFJCOBK-UXHICEINSA-N 0 0 447.604 5.368 50 0 IKAARN O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1ccccc1OC(F)F ZINC000003301057 569445057 /nfs/dbraw/zinc/44/50/57/569445057.db2.gz UIJALNBWBLJWRS-OAQYLSRUSA-N 0 0 443.471 5.303 50 0 IKAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)s1 ZINC000003303755 569445143 /nfs/dbraw/zinc/44/51/43/569445143.db2.gz WJLFUEWUQNOXPZ-UHFFFAOYSA-N 0 0 426.354 5.023 50 0 IKAARN c1sc2nc(CN3CCCCC3)nc(-n3nnc4ccccc43)c2c1-c1ccccc1 ZINC000003304184 569445205 /nfs/dbraw/zinc/44/52/05/569445205.db2.gz BGUWAHCCXKLZQL-UHFFFAOYSA-N 0 0 426.549 5.078 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000003305985 569445248 /nfs/dbraw/zinc/44/52/48/569445248.db2.gz YYIAVPDVPYHQAS-UHFFFAOYSA-N 0 0 444.922 5.647 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000003309034 569445336 /nfs/dbraw/zinc/44/53/36/569445336.db2.gz CMAYNZJZDDPMQP-UHFFFAOYSA-N 0 0 437.927 5.498 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)c2ccccc2)c1 ZINC000003310295 569445380 /nfs/dbraw/zinc/44/53/80/569445380.db2.gz DVWSRYGRKWIQHQ-GOSISDBHSA-N 0 0 448.415 6.562 50 0 IKAARN 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CC(C)c1ccccc1N(C(=O)c1cnc(Cl)c(Cl)c1)c1nc2ccccc2s1 ZINC000003360064 569447807 /nfs/dbraw/zinc/44/78/07/569447807.db2.gz FLEGTROACCTJFQ-UHFFFAOYSA-N 0 0 442.371 7.100 50 0 IKAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC3CCCCCCC3)cc12 ZINC000003360496 569447854 /nfs/dbraw/zinc/44/78/54/569447854.db2.gz UIFBSQIQQRXXNE-UHFFFAOYSA-N 0 0 435.515 6.257 50 0 IKAARN C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003362489 569447979 /nfs/dbraw/zinc/44/79/79/569447979.db2.gz CXANYQSJRSMMLC-MRXNPFEDSA-N 0 0 449.963 5.183 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccc(-c2ccccc2)cc1 ZINC000003362157 569447995 /nfs/dbraw/zinc/44/79/95/569447995.db2.gz KSUUULNQCZLCNF-UHFFFAOYSA-N 0 0 426.501 5.616 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CCCSc3nc4ccccc4[nH]3)ccc21 ZINC000003363951 569448043 /nfs/dbraw/zinc/44/80/43/569448043.db2.gz DQOVWJJEVWWRTJ-UHFFFAOYSA-N 0 0 428.561 6.202 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 ZINC000003364514 569448093 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/nfs/dbraw/zinc/45/02/22/569450222.db2.gz LUSZMFZFMMPLPO-UHFFFAOYSA-N 0 0 434.104 5.721 50 0 IKAARN Cc1sc2[nH]c(CSc3ncnc4scc(-c5ccccc5)c43)nc(=O)c2c1C ZINC000003418019 569450304 /nfs/dbraw/zinc/45/03/04/569450304.db2.gz YETPNGBXJBETST-UHFFFAOYSA-N 0 0 436.587 5.565 50 0 IKAARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000003427569 569450589 /nfs/dbraw/zinc/45/05/89/569450589.db2.gz HKNDKIPRKSPUPI-MHZLTWQESA-N 0 0 442.603 5.478 50 0 IKAARN Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000003428165 569450634 /nfs/dbraw/zinc/45/06/34/569450634.db2.gz RPCWTIDZLVRUIP-UHFFFAOYSA-N 0 0 443.572 5.012 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)cc2)n1 ZINC000003428738 569450691 /nfs/dbraw/zinc/45/06/91/569450691.db2.gz SHXHUJSBKVQHNF-UHFFFAOYSA-N 0 0 438.556 6.327 50 0 IKAARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003428972 569450708 /nfs/dbraw/zinc/45/07/08/569450708.db2.gz PWOWSZKZRKJARY-UHFFFAOYSA-N 0 0 439.968 5.000 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc2ccccc2oc1=O ZINC000217651282 569450834 /nfs/dbraw/zinc/45/08/34/569450834.db2.gz DQUMVNBFIKTCGL-UHFFFAOYSA-N 0 0 442.471 5.975 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccccc1C(F)(F)F ZINC000217651159 569450850 /nfs/dbraw/zinc/45/08/50/569450850.db2.gz VCPIGWPCKPQPON-UHFFFAOYSA-N 0 0 442.437 6.887 50 0 IKAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1C(F)(F)F ZINC000003432553 569450872 /nfs/dbraw/zinc/45/08/72/569450872.db2.gz KQEJXPCWRJJDMM-UHFFFAOYSA-N 0 0 438.755 5.088 50 0 IKAARN CCOc1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc(Br)c1OC ZINC000003433833 569450920 /nfs/dbraw/zinc/45/09/20/569450920.db2.gz YTAIIATUYQIMSG-UHFFFAOYSA-N 0 0 428.710 5.079 50 0 IKAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 ZINC000003433725 569450952 /nfs/dbraw/zinc/45/09/52/569450952.db2.gz ZZVUXMAIBYVCIK-GOSISDBHSA-N 0 0 444.560 5.274 50 0 IKAARN COc1cccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000003435464 569450975 /nfs/dbraw/zinc/45/09/75/569450975.db2.gz NPARLGQAUIZCIA-UHFFFAOYSA-N 0 0 430.529 5.426 50 0 IKAARN C[C@H]1CCCC[C@@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 ZINC000003435337 569450982 /nfs/dbraw/zinc/45/09/82/569450982.db2.gz QBJAKUUQBCOYJC-UWJYYQICSA-N 0 0 447.633 6.507 50 0 IKAARN C[C@@H]1CCCC[C@@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 ZINC000003435340 569451021 /nfs/dbraw/zinc/45/10/21/569451021.db2.gz QBJAKUUQBCOYJC-UTKZUKDTSA-N 0 0 447.633 6.507 50 0 IKAARN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)c1 ZINC000003436416 569451029 /nfs/dbraw/zinc/45/10/29/569451029.db2.gz XENPFMIBLKMWBJ-FQEVSTJZSA-N 0 0 448.950 5.932 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1 ZINC000003435759 569451058 /nfs/dbraw/zinc/45/10/58/569451058.db2.gz HYSDNEKHNYHYCG-UHFFFAOYSA-N 0 0 444.556 5.588 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C1CCCCC1 ZINC000003438558 569451095 /nfs/dbraw/zinc/45/10/95/569451095.db2.gz LOSVUWNWTWMQTG-UHFFFAOYSA-N 0 0 444.988 5.123 50 0 IKAARN CC(C)c1ccc(-c2ncc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)s2)cc1 ZINC000003443481 569451282 /nfs/dbraw/zinc/45/12/82/569451282.db2.gz JCKOLKCVUCXQCE-UHFFFAOYSA-N 0 0 437.546 6.005 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)c1 ZINC000003443196 569451308 /nfs/dbraw/zinc/45/13/08/569451308.db2.gz RIXLMCQBNHZMAT-QHCPKHFHSA-N 0 0 448.588 7.038 50 0 IKAARN Clc1cc(Br)ccc1OCc1nnc(-c2ccccc2Br)o1 ZINC000003445028 569451317 /nfs/dbraw/zinc/45/13/17/569451317.db2.gz CCRAUYBXAJMOLH-UHFFFAOYSA-N 0 0 444.510 5.494 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000003443822 569451318 /nfs/dbraw/zinc/45/13/18/569451318.db2.gz GWVGVVDFSBFWAM-QGZVFWFLSA-N 0 0 432.476 5.088 50 0 IKAARN COC(=O)c1cc(CNC(=O)c2cccc(CSc3ccc(C)cc3C)c2)ccc1OC ZINC000003443934 569451335 /nfs/dbraw/zinc/45/13/35/569451335.db2.gz LISRGGPQSOFKRC-UHFFFAOYSA-N 0 0 449.572 5.321 50 0 IKAARN O=C(COc1ccc(Br)cc1Br)Nc1ccc(Cl)cc1F ZINC000003447755 569451435 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50 0 IKAARN C[C@H](OC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003455333 569451778 /nfs/dbraw/zinc/45/17/78/569451778.db2.gz IPJBZGWOOUYDMQ-KBPBESRZSA-N 0 0 426.563 5.180 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1 ZINC000003469541 569452043 /nfs/dbraw/zinc/45/20/43/569452043.db2.gz DCGASMGZOQKPCB-UHFFFAOYSA-N 0 0 426.875 6.661 50 0 IKAARN Cc1cc(C)cc(-n2c(S[C@@H](C)C(=O)N(C)c3ccccc3)nc3ccccc3c2=O)c1 ZINC000003477309 569452233 /nfs/dbraw/zinc/45/22/33/569452233.db2.gz NQWDBLWFTULTHH-IBGZPJMESA-N 0 0 443.572 5.146 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 ZINC000003486971 569452373 /nfs/dbraw/zinc/45/23/73/569452373.db2.gz XLIFBTAJPWMSQV-UHFFFAOYSA-N 0 0 444.727 5.436 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003486675 569452376 /nfs/dbraw/zinc/45/23/76/569452376.db2.gz FJVRXTJLQCZUGQ-UHFFFAOYSA-N 0 0 432.691 5.567 50 0 IKAARN O=C(NCc1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1)c1cccs1 ZINC000058295119 569452520 /nfs/dbraw/zinc/45/25/20/569452520.db2.gz UHSQECLGJIAVDP-UHFFFAOYSA-N 0 0 430.533 5.074 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003505914 569452893 /nfs/dbraw/zinc/45/28/93/569452893.db2.gz KDYHXRWYCWOXGP-UHFFFAOYSA-N 0 0 432.549 5.057 50 0 IKAARN O=C(OCc1nnc(-c2cccs2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003535895 569453491 /nfs/dbraw/zinc/45/34/91/569453491.db2.gz YCFBUGWBMMOSNB-UHFFFAOYSA-N 0 0 428.473 5.008 50 0 IKAARN Cc1nnc(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1Cc1ccccc1 ZINC000003533817 569453493 /nfs/dbraw/zinc/45/34/93/569453493.db2.gz LURIVUNFGUELKQ-DEOSSOPVSA-N 0 0 447.535 5.674 50 0 IKAARN CC[C@H](c1nnc(SCC(=O)c2ccc(Cl)s2)n1Cc1ccccc1)N(C)C ZINC000003551390 569453838 /nfs/dbraw/zinc/45/38/38/569453838.db2.gz DGCOOCMDJLGKEY-OAHLLOKOSA-N 0 0 435.018 5.029 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2c[nH]c3ccccc32)sc2c1CCCC2 ZINC000003582107 569454301 /nfs/dbraw/zinc/45/43/01/569454301.db2.gz PULQCLRYYYKVSN-CYBMUJFWSA-N 0 0 428.579 5.404 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1nc(N2CCCC2)ncc1Cl ZINC000058413525 569454324 /nfs/dbraw/zinc/45/43/24/569454324.db2.gz PXSGIIWEBWJKMV-UHFFFAOYSA-N 0 0 429.307 5.428 50 0 IKAARN Cc1c(NCc2ncc(-c3ccc(Cl)cc3)o2)cccc1C(=O)N1CCSCC1 ZINC000058414841 569454397 /nfs/dbraw/zinc/45/43/97/569454397.db2.gz WUNNWZAJQUJDLL-UHFFFAOYSA-N 0 0 427.957 5.105 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)cc1 ZINC000003585733 569454469 /nfs/dbraw/zinc/45/44/69/569454469.db2.gz XJQLOHNCVGOEPF-UHFFFAOYSA-N 0 0 427.504 5.316 50 0 IKAARN Cc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)Cc2ccccc2)cc1Cl ZINC000003585967 569454508 /nfs/dbraw/zinc/45/45/08/569454508.db2.gz SKVGRXQBRZZLNX-UHFFFAOYSA-N 0 0 434.008 6.539 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000003614300 569455062 /nfs/dbraw/zinc/45/50/62/569455062.db2.gz IEUDGTFSRWPSAG-LJAQVGFWSA-N 0 0 434.583 7.197 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000003629732 569455208 /nfs/dbraw/zinc/45/52/08/569455208.db2.gz JCDNBMRFBVPUFX-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4Cl)cc3n2)cc1 ZINC000003629602 569455238 /nfs/dbraw/zinc/45/52/38/569455238.db2.gz NEYNRIDHTBLBLV-UHFFFAOYSA-N 0 0 446.816 5.329 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000003629620 569455239 /nfs/dbraw/zinc/45/52/39/569455239.db2.gz RWMCVGUJFIIBFI-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN COc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000003629726 569455249 /nfs/dbraw/zinc/45/52/49/569455249.db2.gz GMKBIFXZFYBXSY-UHFFFAOYSA-N 0 0 446.816 5.329 50 0 IKAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)c1C ZINC000003653584 569455676 /nfs/dbraw/zinc/45/56/76/569455676.db2.gz ZGAFLMFYFKRXNE-UHFFFAOYSA-N 0 0 441.574 5.723 50 0 IKAARN c1ccc(Nc2nc(Nc3ccc(-c4nc5ccccc5o4)cc3)nc(N3CCCC3)n2)cc1 ZINC000003651790 569455704 /nfs/dbraw/zinc/45/57/04/569455704.db2.gz HKKIVGQLBWPFQG-UHFFFAOYSA-N 0 0 449.518 5.767 50 0 IKAARN COc1cccc(CNC(=O)c2cc(Sc3ccccc3Cl)nc3ccccc32)c1 ZINC000003655146 569455737 /nfs/dbraw/zinc/45/57/37/569455737.db2.gz ZKZWARVVBXLKMF-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003657935 569455789 /nfs/dbraw/zinc/45/57/89/569455789.db2.gz DXGLCLGQMCAUON-LOSJGSFVSA-N 0 0 428.532 5.368 50 0 IKAARN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000003658722 569455877 /nfs/dbraw/zinc/45/58/77/569455877.db2.gz OJXUXUKHOMNICI-INIZCTEOSA-N 0 0 433.533 5.140 50 0 IKAARN COc1ccc([C@@H]2[C@H](C(=O)N(C)c3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003661018 569455906 /nfs/dbraw/zinc/45/59/06/569455906.db2.gz HBBWJLHBJYUNGP-CLJLJLNGSA-N 0 0 442.559 5.392 50 0 IKAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000031337022 569456030 /nfs/dbraw/zinc/45/60/30/569456030.db2.gz UAJVFUDZDNRVOJ-LBPRGKRZSA-N 0 0 439.289 6.079 50 0 IKAARN Cc1nc2ccccc2c2nc(NC(=O)c3sc4cccc(Cl)c4c3Cl)nn21 ZINC000003667930 569456035 /nfs/dbraw/zinc/45/60/35/569456035.db2.gz XIULDGSNOPQDMK-UHFFFAOYSA-N 0 0 428.304 5.360 50 0 IKAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000031336289 569456060 /nfs/dbraw/zinc/45/60/60/569456060.db2.gz CWBLVCJAXDHIQB-CYBMUJFWSA-N 0 0 435.380 5.069 50 0 IKAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031393111 569456240 /nfs/dbraw/zinc/45/62/40/569456240.db2.gz QFNXQDPTJWNJKQ-KRWDZBQOSA-N 0 0 439.487 5.526 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031393018 569456255 /nfs/dbraw/zinc/45/62/55/569456255.db2.gz ZETJFTZKNARMNJ-SFHVURJKSA-N 0 0 437.952 5.901 50 0 IKAARN COc1ccc(-c2nc(CSCC(=O)NC34CC5CC(CC(C5)C3)C4)cs2)cc1 ZINC000031413077 569456316 /nfs/dbraw/zinc/45/63/16/569456316.db2.gz NNSQOOIAYDDIIS-UHFFFAOYSA-N 0 0 428.623 5.137 50 0 IKAARN COc1ccc(-c2nc(CSCCC(=O)NCc3ccccc3Cl)cs2)cc1 ZINC000031414243 569456356 /nfs/dbraw/zinc/45/63/56/569456356.db2.gz MAWHHLJATCTTJB-UHFFFAOYSA-N 0 0 432.998 5.412 50 0 IKAARN Cc1nc(CSc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2)cs1 ZINC000031450135 569456467 /nfs/dbraw/zinc/45/64/67/569456467.db2.gz OITATFQUWMPYGY-UHFFFAOYSA-N 0 0 445.997 5.108 50 0 IKAARN CNC(=O)c1ccc(CN(C)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000031529260 569456644 /nfs/dbraw/zinc/45/66/44/569456644.db2.gz VJCMGEZUHOLSBW-UHFFFAOYSA-N 0 0 442.437 5.130 50 0 IKAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000031564530 569456788 /nfs/dbraw/zinc/45/67/88/569456788.db2.gz NJYOZICUBXBHMM-UHFFFAOYSA-N 0 0 426.448 5.039 50 0 IKAARN COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000058829813 569457142 /nfs/dbraw/zinc/45/71/42/569457142.db2.gz IPCRVMQUIGNDCT-UHFFFAOYSA-N 0 0 429.520 5.245 50 0 IKAARN CCCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000004000120 569457705 /nfs/dbraw/zinc/45/77/05/569457705.db2.gz PLCOJLWQCNEPCO-MGZHDZRPSA-N 0 0 432.608 5.981 50 0 biogenic IKAARN CCCOc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)cc1 ZINC000031813302 569457765 /nfs/dbraw/zinc/45/77/65/569457765.db2.gz HRPMYMNTZPAUAG-UHFFFAOYSA-N 0 0 426.523 5.271 50 0 IKAARN Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000031812762 569457815 /nfs/dbraw/zinc/45/78/15/569457815.db2.gz LRJBRYUJQHNIEV-UHFFFAOYSA-N 0 0 438.484 5.347 50 0 IKAARN Cc1nc(NC(=O)c2ccccc2Br)sc1-c1nc(-c2ccccc2)no1 ZINC000031814064 569457893 /nfs/dbraw/zinc/45/78/93/569457893.db2.gz IOMVYJGIMOCAEA-UHFFFAOYSA-N 0 0 441.310 5.183 50 0 IKAARN Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000031815904 569457917 /nfs/dbraw/zinc/45/79/17/569457917.db2.gz INTNGWFXVBMGBY-UHFFFAOYSA-N 0 0 447.451 5.215 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000031816163 569457995 /nfs/dbraw/zinc/45/79/95/569457995.db2.gz YPUKXAKWKIWYMT-ZUOKHONESA-N 0 0 425.941 5.436 50 0 IKAARN COc1ccccc1OCCSc1nc2ccccc2n1CCOc1ccc(C)cc1 ZINC000004045695 569458377 /nfs/dbraw/zinc/45/83/77/569458377.db2.gz VYIAOVYIYDXYOY-UHFFFAOYSA-N 0 0 434.561 5.603 50 0 IKAARN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C)C(C)C ZINC000004074063 569458625 /nfs/dbraw/zinc/45/86/25/569458625.db2.gz BYLDLYWTMFKRNR-GSFBUCGTSA-N 0 0 430.717 6.997 50 0 biogenic IKAARN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C)C(C)C ZINC000004074064 569458627 /nfs/dbraw/zinc/45/86/27/569458627.db2.gz BYLDLYWTMFKRNR-WESDPXPASA-N 0 0 430.717 6.997 50 0 biogenic IKAARN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C)C(C)C ZINC000004074061 569458651 /nfs/dbraw/zinc/45/86/51/569458651.db2.gz BYLDLYWTMFKRNR-TYMFLOGQSA-N 0 0 430.717 6.997 50 0 biogenic IKAARN Nc1nc(Oc2ccc(Br)cc2)cc(Oc2ccc(Br)cc2)n1 ZINC000004106467 569459078 /nfs/dbraw/zinc/45/90/78/569459078.db2.gz HINMIVANRACLNR-UHFFFAOYSA-N 0 0 437.091 5.168 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(Cl)c1 ZINC000004109828 569459113 /nfs/dbraw/zinc/45/91/13/569459113.db2.gz QWZKCEKZXLXQOS-UHFFFAOYSA-N 0 0 427.879 5.086 50 0 IKAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000032070853 569459180 /nfs/dbraw/zinc/45/91/80/569459180.db2.gz MVLCEDCIWYTJGW-OAQYLSRUSA-N 0 0 427.533 5.084 50 0 IKAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000032072569 569459279 /nfs/dbraw/zinc/45/92/79/569459279.db2.gz UYRNDGCBKDXCBQ-KRWDZBQOSA-N 0 0 444.413 5.057 50 0 IKAARN O=C1C[C@H](Sc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000004118557 569459660 /nfs/dbraw/zinc/45/96/60/569459660.db2.gz OSFYLSHUWZASFG-AWEZNQCLSA-N 0 0 431.138 5.180 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032092891 569459695 /nfs/dbraw/zinc/45/96/95/569459695.db2.gz UOTUFHUIBVNWIM-MRXNPFEDSA-N 0 0 432.377 5.188 50 0 IKAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000032095591 569459854 /nfs/dbraw/zinc/45/98/54/569459854.db2.gz UFVPXJGRDSWSIY-KRWDZBQOSA-N 0 0 444.413 5.057 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)oc2c1 ZINC000004122968 569459999 /nfs/dbraw/zinc/45/99/99/569459999.db2.gz MVFLTIWSEQMHET-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cc(C)cc(C)c1 ZINC000004122966 569460001 /nfs/dbraw/zinc/46/00/01/569460001.db2.gz CMYKWVFWHNDZPT-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000004122494 569460030 /nfs/dbraw/zinc/46/00/30/569460030.db2.gz WTWMLNCANCPJJP-UHFFFAOYSA-N 0 0 446.532 5.112 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 ZINC000004122541 569460032 /nfs/dbraw/zinc/46/00/32/569460032.db2.gz NQWLXDSGPJOMDQ-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccccc3)n1C1CCCCC1)C2 ZINC000032101324 569460075 /nfs/dbraw/zinc/46/00/75/569460075.db2.gz YGIXLGAFUMJIGE-QFIPXVFZSA-N 0 0 449.576 5.367 50 0 IKAARN CSc1cccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 ZINC000032105983 569460254 /nfs/dbraw/zinc/46/02/54/569460254.db2.gz PEQHNPMELGIMSD-QGZVFWFLSA-N 0 0 426.929 5.405 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115598 569460319 /nfs/dbraw/zinc/46/03/19/569460319.db2.gz FNFDTZOPGZEGFM-UHFFFAOYSA-N 0 0 447.491 5.259 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2C)cc1 ZINC000004145655 569460409 /nfs/dbraw/zinc/46/04/09/569460409.db2.gz OYKUKZMOQLJSOL-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN COc1ccccc1-n1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1Cl ZINC000004145509 569460458 /nfs/dbraw/zinc/46/04/58/569460458.db2.gz MAUNAFRGNWDPDA-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2cc(Cl)ccc2C)c1 ZINC000004145997 569460482 /nfs/dbraw/zinc/46/04/82/569460482.db2.gz UJOMUSUVMOTEEW-UHFFFAOYSA-N 0 0 439.924 5.568 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2cc(Cl)ccc2C)o1 ZINC000004146012 569460502 /nfs/dbraw/zinc/46/05/02/569460502.db2.gz QBKNCBQASREIDA-UHFFFAOYSA-N 0 0 429.885 5.161 50 0 IKAARN CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1Cl ZINC000004146081 569460503 /nfs/dbraw/zinc/46/05/03/569460503.db2.gz YKHMJLFIGPBZMJ-UHFFFAOYSA-N 0 0 435.380 5.202 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000004177820 569460670 /nfs/dbraw/zinc/46/06/70/569460670.db2.gz HXFMAPRWVFBYGN-NQBHXWOUSA-N 0 0 432.899 5.273 50 0 IKAARN Cc1ccc(NC(=O)CCCSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000004184724 569460748 /nfs/dbraw/zinc/46/07/48/569460748.db2.gz FAAHSVNXTINBSY-UHFFFAOYSA-N 0 0 428.561 5.754 50 0 IKAARN COc1ccc(-n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2C)cc1 ZINC000004184090 569460761 /nfs/dbraw/zinc/46/07/61/569460761.db2.gz HQDAYZGQXBTHKG-UHFFFAOYSA-N 0 0 439.943 6.336 50 0 IKAARN Clc1ccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000004185964 569460781 /nfs/dbraw/zinc/46/07/81/569460781.db2.gz IETHDXGYVPYYGP-UHFFFAOYSA-N 0 0 426.372 6.457 50 0 IKAARN Cc1ccc(-n2c(SCc3cc(F)ccc3F)nnc2-c2ccccc2Cl)cc1 ZINC000004185977 569460784 /nfs/dbraw/zinc/46/07/84/569460784.db2.gz ITNPDMFCNUTOKN-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C(F)(F)F)c2)c1 ZINC000004186537 569460795 /nfs/dbraw/zinc/46/07/95/569460795.db2.gz ADQBUZSJENJNQZ-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN CCc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000004211532 569460962 /nfs/dbraw/zinc/46/09/62/569460962.db2.gz AWDFNBMFLIDSTJ-UHFFFAOYSA-N 0 0 438.980 6.347 50 0 IKAARN COc1cccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2-c2ccccc2)c1 ZINC000004211432 569460966 /nfs/dbraw/zinc/46/09/66/569460966.db2.gz ALDNOJJRDRERAE-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2ccccc2C)cc1 ZINC000004211437 569460973 /nfs/dbraw/zinc/46/09/73/569460973.db2.gz YGZMBTBTDNHFEG-UHFFFAOYSA-N 0 0 445.544 5.087 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000004211466 569460982 /nfs/dbraw/zinc/46/09/82/569460982.db2.gz AKCAZRRUIWTARO-UHFFFAOYSA-N 0 0 445.544 5.087 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)c1 ZINC000004211677 569460983 /nfs/dbraw/zinc/46/09/83/569460983.db2.gz RKGFVWBERDWHTE-UHFFFAOYSA-N 0 0 425.479 6.554 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(F)c3)n2-c2ccc(C)cc2)c1 ZINC000004211364 569460993 /nfs/dbraw/zinc/46/09/93/569460993.db2.gz AEOVXRBVQUVIQX-UHFFFAOYSA-N 0 0 435.524 5.691 50 0 IKAARN Fc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 ZINC000004209069 569461004 /nfs/dbraw/zinc/46/10/04/569461004.db2.gz SEOIAWOPSLAGEJ-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN COc1cccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2-c2ccccc2C)c1 ZINC000004211665 569461009 /nfs/dbraw/zinc/46/10/09/569461009.db2.gz NZGOULVCSDJHFZ-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2ccc(F)cc2)cc1 ZINC000004211969 569461020 /nfs/dbraw/zinc/46/10/20/569461020.db2.gz YLPKHWHCCGCBLI-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN COc1ccc(N[C@H](CC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1 ZINC000059371634 569461029 /nfs/dbraw/zinc/46/10/29/569461029.db2.gz XECDCZWFKBSFRT-JOCHJYFZSA-N 0 0 440.337 5.893 50 0 IKAARN O=C(C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000059371718 569461043 /nfs/dbraw/zinc/46/10/43/569461043.db2.gz DFCKDGUVZMUWCJ-HXUWFJFHSA-N 0 0 449.175 7.182 50 0 IKAARN Cc1ccc(S(=O)(=O)c2ccc(CSC3=Nc4ccccc4CS3)cc2)cc1 ZINC000032329420 569461338 /nfs/dbraw/zinc/46/13/38/569461338.db2.gz QHUIMGVCEXEWTO-UHFFFAOYSA-N 0 0 425.600 5.996 50 0 IKAARN CCCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(CCCCC)cn3)cc2)cc1 ZINC000004254744 569461399 /nfs/dbraw/zinc/46/13/99/569461399.db2.gz CJXCIZGGVLSUGP-UHFFFAOYSA-N 0 0 444.619 7.693 50 0 IKAARN CCc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000004254220 569461423 /nfs/dbraw/zinc/46/14/23/569461423.db2.gz KNHKKRPKMFRTNT-UHFFFAOYSA-N 0 0 429.490 5.823 50 0 IKAARN O=C(OCc1cc(F)cc2c1OCOC2)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000032384830 569461446 /nfs/dbraw/zinc/46/14/46/569461446.db2.gz MKOVGTYHEVTKRP-UHFFFAOYSA-N 0 0 427.042 5.058 50 0 IKAARN C(=C/c1ccccc1)\CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 ZINC000004263699 569461554 /nfs/dbraw/zinc/46/15/54/569461554.db2.gz CGCHCPPCCDAFII-JXMROGBWSA-N 0 0 427.617 6.541 50 0 IKAARN CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1Br ZINC000004283515 569461804 /nfs/dbraw/zinc/46/18/04/569461804.db2.gz NYVNYVNAOKZZNS-UHFFFAOYSA-N 0 0 427.136 5.100 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cn2c(=S)[nH]nc2-c2cccc(C)c2)cc1 ZINC000032461018 569461819 /nfs/dbraw/zinc/46/18/19/569461819.db2.gz OEWDSUKIIYHZPM-NRFANRHFSA-N 0 0 436.581 5.069 50 0 IKAARN CCCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 ZINC000004291175 569461883 /nfs/dbraw/zinc/46/18/83/569461883.db2.gz OJYASGPSCYHQPJ-HSZRJFAPSA-N 0 0 431.540 5.165 50 0 IKAARN CCOC(C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)(c1ccccc1)c1ccccc1 ZINC000008012819 569462033 /nfs/dbraw/zinc/46/20/33/569462033.db2.gz VYTJOCRXZMGGAZ-DEOSSOPVSA-N 0 0 427.548 5.357 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1N1CCCC1 ZINC000007986815 569462092 /nfs/dbraw/zinc/46/20/92/569462092.db2.gz JBCSIZCUNFTYJE-UHFFFAOYSA-N 0 0 425.536 5.532 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)cc1 ZINC000066400606 569462114 /nfs/dbraw/zinc/46/21/14/569462114.db2.gz ACKBSFZTSYHKPG-UHFFFAOYSA-N 0 0 432.455 5.119 50 0 IKAARN COc1ccc2c(CCN(C(C)=O)c3nc(-c4c[nH]c5ccccc54)cs3)c[nH]c2c1 ZINC000066409959 569462153 /nfs/dbraw/zinc/46/21/53/569462153.db2.gz FIEZTHNMNLMXLJ-UHFFFAOYSA-N 0 0 430.533 5.377 50 0 IKAARN CCCCCCn1c(SCC(=O)c2ccccc2F)nnc1-c1c[nH]c2ccccc21 ZINC000038188293 569462352 /nfs/dbraw/zinc/46/23/52/569462352.db2.gz VSJSGBLSXCNTIA-UHFFFAOYSA-N 0 0 436.556 6.121 50 0 IKAARN COc1cccc(NCc2nnc(SCc3ccccc3F)n2C2CCCCC2)c1 ZINC000008194686 569462424 /nfs/dbraw/zinc/46/24/24/569462424.db2.gz FERWINLBBRYKCL-UHFFFAOYSA-N 0 0 426.561 5.835 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000008310626 569462561 /nfs/dbraw/zinc/46/25/61/569462561.db2.gz OTBQGSXPKGKIKH-NRFANRHFSA-N 0 0 425.532 5.334 50 0 IKAARN Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCC2)cc1 ZINC000008317422 569462614 /nfs/dbraw/zinc/46/26/14/569462614.db2.gz ZONZNFFZBFYGDZ-UHFFFAOYSA-N 0 0 427.548 5.605 50 0 IKAARN Cc1ccc2nc(-c3ccc(Nc4ccc(-c5ccc(Cl)cc5)oc4=O)cc3)oc2c1 ZINC000008385465 569462644 /nfs/dbraw/zinc/46/26/44/569462644.db2.gz TWZOSPLUFXAGGZ-UHFFFAOYSA-N 0 0 428.875 6.820 50 0 IKAARN CC12c3ccccc3C(Cc3ccccc3)(C(=O)N1c1ccccc1)C(=O)N2c1ccccc1 ZINC000008384900 569462658 /nfs/dbraw/zinc/46/26/58/569462658.db2.gz QFAKHEZOOBOYBG-UHFFFAOYSA-N 0 0 444.534 5.433 50 0 IKAARN Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(Cl)c2)cc1 ZINC000008386293 569462698 /nfs/dbraw/zinc/46/26/98/569462698.db2.gz YWTOWQBIFSWEHN-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN Clc1ccc(Cl)c(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)c1 ZINC000008386753 569462725 /nfs/dbraw/zinc/46/27/25/569462725.db2.gz GYVWQWJYFALLKH-FQEVSTJZSA-N 0 0 446.175 7.112 50 0 IKAARN Clc1ccc(Cl)c(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)c1 ZINC000008386754 569462764 /nfs/dbraw/zinc/46/27/64/569462764.db2.gz GYVWQWJYFALLKH-HXUWFJFHSA-N 0 0 446.175 7.112 50 0 IKAARN COc1ccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)cc1 ZINC000038486702 569462771 /nfs/dbraw/zinc/46/27/71/569462771.db2.gz BAXXTMCHZILUJG-UHFFFAOYSA-N 0 0 441.516 5.441 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nccn2nc(-c3cc(C)ccc3C)cc12 ZINC000038486629 569462799 /nfs/dbraw/zinc/46/27/99/569462799.db2.gz JJJXVJMAVSQYHS-UHFFFAOYSA-N 0 0 426.545 6.269 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000038487498 569462918 /nfs/dbraw/zinc/46/29/18/569462918.db2.gz NBLOWBWFDMSCAH-UHFFFAOYSA-N 0 0 431.927 5.036 50 0 IKAARN CC(C)Oc1ccc(C(=O)N2CCC(Cn3c4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000038534132 569463200 /nfs/dbraw/zinc/46/32/00/569463200.db2.gz LTFCAALRPRILGA-UHFFFAOYSA-N 0 0 445.485 5.395 50 0 IKAARN COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000008397802 569463280 /nfs/dbraw/zinc/46/32/80/569463280.db2.gz MUMBQOYEXNURRJ-OAQYLSRUSA-N 0 0 444.428 6.217 50 0 IKAARN Cc1cc([C@H](c2ccc(Cl)cc2Cl)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545910 569463360 /nfs/dbraw/zinc/46/33/60/569463360.db2.gz UBJIIVOGQMORNK-FQEVSTJZSA-N 0 0 449.403 6.784 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2Cl)N2CCOCC2)c1C ZINC000038546079 569463383 /nfs/dbraw/zinc/46/33/83/569463383.db2.gz CKEUBGQEEZSOQJ-FQEVSTJZSA-N 0 0 447.025 5.754 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(C)cc2)N2CCOCC2)c1C ZINC000038546093 569463384 /nfs/dbraw/zinc/46/33/84/569463384.db2.gz CGEYISAWFOJXKD-NRFANRHFSA-N 0 0 426.607 5.409 50 0 IKAARN COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCOCC2)c1 ZINC000038546070 569463389 /nfs/dbraw/zinc/46/33/89/569463389.db2.gz UVFGAKGCLCWVBQ-OAQYLSRUSA-N 0 0 442.606 5.109 50 0 IKAARN CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546059 569463394 /nfs/dbraw/zinc/46/33/94/569463394.db2.gz KTUYRQXYAQLRGI-QHCPKHFHSA-N 0 0 438.593 5.701 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2Cl)N2CCOCC2)c1C ZINC000038546078 569463403 /nfs/dbraw/zinc/46/34/03/569463403.db2.gz CKEUBGQEEZSOQJ-HXUWFJFHSA-N 0 0 447.025 5.754 50 0 IKAARN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000038546068 569463416 /nfs/dbraw/zinc/46/34/16/569463416.db2.gz PQQFVLSXBGFTHH-OAQYLSRUSA-N 0 0 442.606 5.109 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2F)N2CCOCC2)c1C ZINC000038546084 569463421 /nfs/dbraw/zinc/46/34/21/569463421.db2.gz AYWYNBJHNQTLIZ-HXUWFJFHSA-N 0 0 430.570 5.239 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](c1ccccc1F)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546193 569463467 /nfs/dbraw/zinc/46/34/67/569463467.db2.gz WEAARWGDANQNBQ-QFIPXVFZSA-N 0 0 440.540 5.033 50 0 IKAARN Cc1cc([C@H](c2ccc(C(C)C)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546427 569463537 /nfs/dbraw/zinc/46/35/37/569463537.db2.gz PHVVBAKSPAKHJH-QHCPKHFHSA-N 0 0 437.609 5.362 50 0 IKAARN CCc1cc([C@H](c2ccccc2Cl)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546451 569463559 /nfs/dbraw/zinc/46/35/59/569463559.db2.gz XGLWFHLCLLBZOT-NRFANRHFSA-N 0 0 444.000 5.146 50 0 IKAARN CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546446 569463591 /nfs/dbraw/zinc/46/35/91/569463591.db2.gz GPIXNOXORQBGMR-OAQYLSRUSA-N 0 0 444.000 5.146 50 0 IKAARN CCc1cc([C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546447 569463621 /nfs/dbraw/zinc/46/36/21/569463621.db2.gz GPIXNOXORQBGMR-NRFANRHFSA-N 0 0 444.000 5.146 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C ZINC000038546737 569463630 /nfs/dbraw/zinc/46/36/30/569463630.db2.gz CPCHDNBIJKELFC-NRFANRHFSA-N 0 0 443.613 5.155 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(C)cc2)N2CCN(C)CC2)c1C ZINC000038546750 569463652 /nfs/dbraw/zinc/46/36/52/569463652.db2.gz MPXDDFUCOKNUOZ-JOCHJYFZSA-N 0 0 439.650 5.324 50 0 IKAARN COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c(OC)c1 ZINC000038546681 569463685 /nfs/dbraw/zinc/46/36/85/569463685.db2.gz DIHICGUEZMGDMA-JOCHJYFZSA-N 0 0 440.565 5.494 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547094 569463747 /nfs/dbraw/zinc/46/37/47/569463747.db2.gz QQSPUSPRLDGRJD-HSZRJFAPSA-N 0 0 447.560 6.069 50 0 IKAARN CCc1cc([C@@H](Nc2ccccn2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547102 569463831 /nfs/dbraw/zinc/46/38/31/569463831.db2.gz UHKLCUIMYDBTIN-QFIPXVFZSA-N 0 0 433.533 5.761 50 0 IKAARN COc1ccccc1[C@@H](Nc1cccc(C)n1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000038547556 569463837 /nfs/dbraw/zinc/46/38/37/569463837.db2.gz ZEVLHMMNVWHRTG-HSZRJFAPSA-N 0 0 447.560 6.124 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)ccn2)c2ccccc2F)c1C ZINC000038547594 569463847 /nfs/dbraw/zinc/46/38/47/569463847.db2.gz WCBUPSRQNPHYEZ-JOCHJYFZSA-N 0 0 435.524 6.254 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)ccn2)c2cccc(F)c2)c1C ZINC000038547586 569463897 /nfs/dbraw/zinc/46/38/97/569463897.db2.gz LODMEEUIFHUEEM-JOCHJYFZSA-N 0 0 435.524 6.254 50 0 IKAARN CCOc1ccc([C@H](Nc2ccccn2)c2cc(CC)sc2NC(=O)c2ccco2)cc1 ZINC000038547854 569463938 /nfs/dbraw/zinc/46/39/38/569463938.db2.gz FJVFGTJSIOBJKT-QHCPKHFHSA-N 0 0 447.560 6.151 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c1C ZINC000038548139 569463941 /nfs/dbraw/zinc/46/39/41/569463941.db2.gz QWMFQCWZTDBYMV-QFIPXVFZSA-N 0 0 446.576 6.127 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2nc(C)cc(C)n2)c2cccs2)c1C ZINC000038548113 569463953 /nfs/dbraw/zinc/46/39/53/569463953.db2.gz BAXPNZWMWMKYIG-OAQYLSRUSA-N 0 0 448.617 6.287 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547848 569463957 /nfs/dbraw/zinc/46/39/57/569463957.db2.gz DYSGLEPZWMAWPX-HSZRJFAPSA-N 0 0 431.561 6.369 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2nc(C)cc(C)n2)c2cccs2)c1C ZINC000038548175 569463963 /nfs/dbraw/zinc/46/39/63/569463963.db2.gz WHVVIQCRSBXKDP-LJQANCHMSA-N 0 0 438.578 5.880 50 0 IKAARN COc1cccc([C@H](Nc2nc(C)cc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038547957 569463985 /nfs/dbraw/zinc/46/39/85/569463985.db2.gz FERMVTXGCANETP-NRFANRHFSA-N 0 0 448.548 5.519 50 0 IKAARN COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC ZINC000038581064 569464145 /nfs/dbraw/zinc/46/41/45/569464145.db2.gz POKADCOTZXAHOM-UHFFFAOYSA-N 0 0 430.529 5.676 50 0 IKAARN Clc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000008427275 569464159 /nfs/dbraw/zinc/46/41/59/569464159.db2.gz XWDZOFMJCDRAFD-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O ZINC000038587030 569464202 /nfs/dbraw/zinc/46/42/02/569464202.db2.gz GVEKUZAVDFYXTJ-TZIWHRDSSA-N 0 0 425.532 5.565 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2cccc(C(F)(F)F)c2)cc1 ZINC000008427425 569464223 /nfs/dbraw/zinc/46/42/23/569464223.db2.gz OBNXIOQPIVMJTI-QFIPXVFZSA-N 0 0 430.857 6.723 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(OCc4cccc(F)c4)c3)C(=O)O2)cc1 ZINC000008431610 569464257 /nfs/dbraw/zinc/46/42/57/569464257.db2.gz ZBVHNWVIPQMRPR-JLPGSUDCSA-N 0 0 429.491 6.047 50 0 IKAARN O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000008439645 569464340 /nfs/dbraw/zinc/46/43/40/569464340.db2.gz NZAXLLCBJLNWJM-UHFFFAOYSA-N 0 0 431.542 5.115 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067190100 569464343 /nfs/dbraw/zinc/46/43/43/569464343.db2.gz ZURAGCDBGYDBDN-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN COc1ccc([C@H](NC(=O)/C=C(/C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 ZINC000067192431 569464387 /nfs/dbraw/zinc/46/43/87/569464387.db2.gz PGOVFNZQZSMXCW-RDAPHKKOSA-N 0 0 433.551 6.671 50 0 IKAARN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc(OC)c2)cc1 ZINC000008440662 569464400 /nfs/dbraw/zinc/46/44/00/569464400.db2.gz LGZKMKPVMUNNKE-JOCHJYFZSA-N 0 0 434.458 5.037 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(F)cc1 ZINC000008442871 569464633 /nfs/dbraw/zinc/46/46/33/569464633.db2.gz OINPUFIINBWLPL-QHCPKHFHSA-N 0 0 437.858 5.136 50 0 IKAARN O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1Cl ZINC000067206715 569464650 /nfs/dbraw/zinc/46/46/50/569464650.db2.gz LUZDUYOEJNSMBU-UHFFFAOYSA-N 0 0 447.947 5.753 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c(C)c1 ZINC000067206949 569464660 /nfs/dbraw/zinc/46/46/60/569464660.db2.gz ZVTNCUPVRSRDAY-UHFFFAOYSA-N 0 0 427.367 5.806 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 ZINC000067209203 569464793 /nfs/dbraw/zinc/46/47/93/569464793.db2.gz QAWHJAAMBAFZER-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000067209139 569464818 /nfs/dbraw/zinc/46/48/18/569464818.db2.gz JHAKAFJNRWJJGR-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C ZINC000067209094 569464831 /nfs/dbraw/zinc/46/48/31/569464831.db2.gz GPFQAZPACMEESV-UHFFFAOYSA-N 0 0 435.574 5.049 50 0 IKAARN CC[C@@]12C=C(Sc3ccc(Cl)cc3)C[C@]1(C)C=C(Sc1ccc(Cl)cc1)C2 ZINC000008448373 569464855 /nfs/dbraw/zinc/46/48/55/569464855.db2.gz QUSWFYMBPHQHAJ-XZOQPEGZSA-N 0 0 433.469 8.856 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c(C)c1 ZINC000067217181 569464903 /nfs/dbraw/zinc/46/49/03/569464903.db2.gz DWLKIABCLBCAHA-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1C ZINC000067217185 569464937 /nfs/dbraw/zinc/46/49/37/569464937.db2.gz GALZZAOHZQUJNE-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 ZINC000008451058 569465034 /nfs/dbraw/zinc/46/50/34/569465034.db2.gz IGTYJHNHTZSASS-NUWSMOGQSA-N 0 0 437.653 5.728 50 0 IKAARN COc1ccc([C@@H]2c3cccc(Cl)c3[C@@H](c3cccs3)c3cccc(Cl)c32)cc1 ZINC000008453475 569465093 /nfs/dbraw/zinc/46/50/93/569465093.db2.gz JIXMFTAUBAUKBR-RCZVLFRGSA-N 0 0 437.391 7.737 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)NC3CCCCC3)c2c1 ZINC000008466683 569465334 /nfs/dbraw/zinc/46/53/34/569465334.db2.gz YQWVAYULQPJFML-UHFFFAOYSA-N 0 0 436.625 5.132 50 0 IKAARN Cc1cc2nc(SCC(=O)Nc3cccc(C(C)C)c3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237213 569465498 /nfs/dbraw/zinc/46/54/98/569465498.db2.gz KRKLWFVVVCUUOL-UHFFFAOYSA-N 0 0 446.576 5.185 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nccn2nc(-c3ccccc3C)cc12 ZINC000038651809 569465672 /nfs/dbraw/zinc/46/56/72/569465672.db2.gz CWWZRMFOKFJBKS-UHFFFAOYSA-N 0 0 426.545 6.269 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)C1 ZINC000067240746 569465674 /nfs/dbraw/zinc/46/56/74/569465674.db2.gz JDSLGNHGUMMOML-HUUCEWRRSA-N 0 0 425.458 5.446 50 0 IKAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000038652910 569465717 /nfs/dbraw/zinc/46/57/17/569465717.db2.gz IZCLQRLRSNPONK-UHFFFAOYSA-N 0 0 428.579 5.257 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nccn2nc(-c3ccccc3C)cc12 ZINC000038651815 569465730 /nfs/dbraw/zinc/46/57/30/569465730.db2.gz HLWCWYOWRGBINQ-UHFFFAOYSA-N 0 0 446.963 6.614 50 0 IKAARN CCOc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 ZINC000067245210 569465845 /nfs/dbraw/zinc/46/58/45/569465845.db2.gz CVDJXQVVGMMJKD-UHFFFAOYSA-N 0 0 427.435 5.246 50 0 IKAARN CCOc1ccc(-n2cc(-c3nc(-c4ccc(CC)cc4)no3)c3ccccc3c2=O)cc1 ZINC000067245220 569465846 /nfs/dbraw/zinc/46/58/46/569465846.db2.gz YXSXOGLTWCNYDT-UHFFFAOYSA-N 0 0 437.499 5.669 50 0 IKAARN COc1cc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc(OC)c1OC ZINC000067245110 569465849 /nfs/dbraw/zinc/46/58/49/569465849.db2.gz DTWLEFNCDUCNPN-UHFFFAOYSA-N 0 0 434.517 5.484 50 0 IKAARN CSc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245414 569465874 /nfs/dbraw/zinc/46/58/74/569465874.db2.gz VVCXQOZKNONFKP-UHFFFAOYSA-N 0 0 445.931 6.083 50 0 IKAARN CN(c1ccsc1C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245618 569465881 /nfs/dbraw/zinc/46/58/81/569465881.db2.gz YWIJNYWETLSAQR-UHFFFAOYSA-N 0 0 441.361 5.132 50 0 IKAARN CCOc1ccccc1-c1noc(-c2cn(-c3ccc(CC)cc3)c(=O)c3ccccc23)n1 ZINC000067245332 569465883 /nfs/dbraw/zinc/46/58/83/569465883.db2.gz ASTQFJOQAHYKPA-UHFFFAOYSA-N 0 0 437.499 5.669 50 0 IKAARN CC(C)Oc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000067245368 569465893 /nfs/dbraw/zinc/46/58/93/569465893.db2.gz GJCQUTMVJQEKQP-UHFFFAOYSA-N 0 0 441.462 5.634 50 0 IKAARN CCc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245454 569465903 /nfs/dbraw/zinc/46/59/03/569465903.db2.gz OQTHNDGRAUTWRT-UHFFFAOYSA-N 0 0 427.891 5.924 50 0 IKAARN CCOc1ccccc1-c1noc(-c2cn(-c3ccc(F)cc3)c(=O)c3ccccc23)n1 ZINC000067245366 569465904 /nfs/dbraw/zinc/46/59/04/569465904.db2.gz OFFMDGMZQCRXHH-UHFFFAOYSA-N 0 0 427.435 5.246 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1-c1cccc(Cl)c1 ZINC000067245442 569465908 /nfs/dbraw/zinc/46/59/08/569465908.db2.gz FUXRKMUAPIEKNN-UHFFFAOYSA-N 0 0 443.846 5.090 50 0 IKAARN CC(C)c1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000067245632 569465941 /nfs/dbraw/zinc/46/59/41/569465941.db2.gz IPMAOTODNVVFNW-UHFFFAOYSA-N 0 0 448.997 5.602 50 0 IKAARN CCN(c1ccsc1C(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245679 569465957 /nfs/dbraw/zinc/46/59/57/569465957.db2.gz YQWMLEWPBZFMPN-UHFFFAOYSA-N 0 0 441.018 5.069 50 0 IKAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)cc2)c1 ZINC000067258647 569466137 /nfs/dbraw/zinc/46/61/37/569466137.db2.gz AROANKFDDDLCDK-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN Cc1cc(-n2c(=O)c3sccc3nc2SCc2ccc(C(C)(C)C)cc2)ccc1F ZINC000067257974 569466154 /nfs/dbraw/zinc/46/61/54/569466154.db2.gz UQFMMFAKMWGJOC-UHFFFAOYSA-N 0 0 438.593 6.485 50 0 IKAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)cc(OC)c2)cc1 ZINC000067258621 569466165 /nfs/dbraw/zinc/46/61/65/569466165.db2.gz RAKLTQMACFKUEG-UHFFFAOYSA-N 0 0 430.529 5.338 50 0 IKAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2cc(C)ccc2C)c1 ZINC000067258615 569466171 /nfs/dbraw/zinc/46/61/71/569466171.db2.gz QILULGCPELNSAK-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2ccc(C)c(C)c2)c1 ZINC000067258944 569466186 /nfs/dbraw/zinc/46/61/86/569466186.db2.gz YIXDTOFTSHFOAF-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(C(C)(C)C)cc2)cc1 ZINC000067258821 569466204 /nfs/dbraw/zinc/46/62/04/569466204.db2.gz MERKEYAKDOVSMD-UHFFFAOYSA-N 0 0 444.600 6.043 50 0 IKAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2OC)cc1 ZINC000067258891 569466221 /nfs/dbraw/zinc/46/62/21/569466221.db2.gz COPYKVJNSXOOFH-UHFFFAOYSA-N 0 0 430.529 5.338 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1C ZINC000067259393 569466232 /nfs/dbraw/zinc/46/62/32/569466232.db2.gz GCBQXXLKNHTKIT-UHFFFAOYSA-N 0 0 430.529 5.083 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1 ZINC000067259585 569466238 /nfs/dbraw/zinc/46/62/38/569466238.db2.gz YNJBJTJNDZTRHT-UHFFFAOYSA-N 0 0 427.356 6.044 50 0 IKAARN O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccc(Cl)cc1 ZINC000067259582 569466242 /nfs/dbraw/zinc/46/62/42/569466242.db2.gz MDQUPOJVQKPOCG-UHFFFAOYSA-N 0 0 428.891 5.669 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1ccccn1 ZINC000067259378 569466243 /nfs/dbraw/zinc/46/62/43/569466243.db2.gz UDWKYMQYFILHOC-UHFFFAOYSA-N 0 0 427.451 5.151 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2ccccc2)c1 ZINC000067259821 569466246 /nfs/dbraw/zinc/46/62/46/569466246.db2.gz YWFSFEKTAPVVRG-UHFFFAOYSA-N 0 0 428.513 5.492 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1cccs1 ZINC000067259531 569466264 /nfs/dbraw/zinc/46/62/64/569466264.db2.gz GEJGNCUPCLAOMO-UHFFFAOYSA-N 0 0 432.492 5.817 50 0 IKAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000067259397 569466269 /nfs/dbraw/zinc/46/62/69/569466269.db2.gz LPPFIYJGSZAOLH-UHFFFAOYSA-N 0 0 428.513 5.109 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(CCc3ccccc3)c(=O)c12 ZINC000067260267 569466304 /nfs/dbraw/zinc/46/63/04/569466304.db2.gz NTICWDZSTFETIM-UHFFFAOYSA-N 0 0 428.517 5.035 50 0 IKAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000067260399 569466331 /nfs/dbraw/zinc/46/63/31/569466331.db2.gz FKCCRCWLEQUJQG-UHFFFAOYSA-N 0 0 440.937 5.247 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(Cl)c2)cc1OC ZINC000067260481 569466347 /nfs/dbraw/zinc/46/63/47/569466347.db2.gz ZJRYYIBVUSLFGC-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)cc2)cc1OC ZINC000067260483 569466369 /nfs/dbraw/zinc/46/63/69/569466369.db2.gz BJWJQOIBSJSYMF-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5c(C)noc5C)n4ccn3n2)cc1 ZINC000067260703 569466379 /nfs/dbraw/zinc/46/63/79/569466379.db2.gz XKFKATDTXZVORP-UHFFFAOYSA-N 0 0 448.552 5.120 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5ccccc5C)n4ccn3n2)cc1 ZINC000067260666 569466382 /nfs/dbraw/zinc/46/63/82/569466382.db2.gz RFUNADFBGULISK-UHFFFAOYSA-N 0 0 443.576 5.824 50 0 IKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccc(C(C)(C)C)cc5)n4ccn3n2)cc1C ZINC000067260620 569466426 /nfs/dbraw/zinc/46/64/26/569466426.db2.gz RDHHAIYFUXRTQP-UHFFFAOYSA-N 0 0 441.604 6.251 50 0 IKAARN CC(C)c1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261450 569466507 /nfs/dbraw/zinc/46/65/07/569466507.db2.gz LREFXXCOSGSGQY-UHFFFAOYSA-N 0 0 427.939 6.333 50 0 IKAARN CC(C)Sc1ccc(CC(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 ZINC000038678484 569466613 /nfs/dbraw/zinc/46/66/13/569466613.db2.gz ZEHWBKICTQUHDR-UHFFFAOYSA-N 0 0 438.618 5.289 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 ZINC000067289650 569467503 /nfs/dbraw/zinc/46/75/03/569467503.db2.gz DMOHHCFOXNOMTH-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 ZINC000067289967 569467506 /nfs/dbraw/zinc/46/75/06/569467506.db2.gz LHMYLHXSKWZSBT-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 ZINC000067289991 569467544 /nfs/dbraw/zinc/46/75/44/569467544.db2.gz KZEYOXVMAUJWKQ-UHFFFAOYSA-N 0 0 444.604 6.087 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C(C)C)nccn3n2)cc1C ZINC000067290024 569467566 /nfs/dbraw/zinc/46/75/66/569467566.db2.gz BSMINZDKTDKAEW-UHFFFAOYSA-N 0 0 430.577 5.867 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4CC)nccn3n2)cc1 ZINC000067290337 569467590 /nfs/dbraw/zinc/46/75/90/569467590.db2.gz AQXPQNBQYLVIQP-UHFFFAOYSA-N 0 0 432.549 5.088 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)CCC5)nccn3n2)cc1 ZINC000067290585 569467616 /nfs/dbraw/zinc/46/76/16/569467616.db2.gz SKQKRTVVGQIGLM-UHFFFAOYSA-N 0 0 444.560 5.015 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C(F)(F)F)cc3)oc21 ZINC000067293587 569467775 /nfs/dbraw/zinc/46/77/75/569467775.db2.gz ZFWWBDFYYYCTIF-SLMZUGIISA-N 0 0 439.393 5.340 50 0 IKAARN Cc1cc(Cl)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067293043 569467816 /nfs/dbraw/zinc/46/78/16/569467816.db2.gz DYDQUPRWFMOYAA-IFMSOTMUSA-N 0 0 431.319 5.189 50 0 IKAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067293342 569467824 /nfs/dbraw/zinc/46/78/24/569467824.db2.gz SBILUFVNOHGRPY-MEFGMAGPSA-N 0 0 425.366 5.037 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(F)(F)F)cc2)nc1 ZINC000067294375 569467882 /nfs/dbraw/zinc/46/78/82/569467882.db2.gz QRPYMCVBEGQLBY-SLMZUGIISA-N 0 0 439.393 5.345 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C(F)(F)F)nc1 ZINC000067294369 569467884 /nfs/dbraw/zinc/46/78/84/569467884.db2.gz JAKYQNZXSYUVJJ-SLMZUGIISA-N 0 0 439.393 5.345 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067294552 569467895 /nfs/dbraw/zinc/46/78/95/569467895.db2.gz AEOKUQCAJUFZBN-IADYIPOJSA-N 0 0 442.824 6.590 50 0 IKAARN CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 ZINC000067294914 569467904 /nfs/dbraw/zinc/46/79/04/569467904.db2.gz LKJHARIJPVNIOA-NMWGTECJSA-N 0 0 427.938 5.749 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1Cl ZINC000067294542 569467926 /nfs/dbraw/zinc/46/79/26/569467926.db2.gz KODLWDZCOHWQOS-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067294555 569467931 /nfs/dbraw/zinc/46/79/31/569467931.db2.gz NHCCEODXMCJOKJ-IADYIPOJSA-N 0 0 442.824 6.590 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F ZINC000067294545 569467936 /nfs/dbraw/zinc/46/79/36/569467936.db2.gz AWWBUWCQRZUFDG-QYQHSDTDSA-N 0 0 427.262 6.363 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C(C)C)c3)oc21 ZINC000067295613 569467944 /nfs/dbraw/zinc/46/79/44/569467944.db2.gz OMVJLEKNLJUENC-SGEDCAFJSA-N 0 0 427.504 5.753 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)c(Cl)c3)oc21 ZINC000067295723 569467946 /nfs/dbraw/zinc/46/79/46/569467946.db2.gz FWDADYPAMIIJER-VYIQYICTSA-N 0 0 437.858 5.422 50 0 IKAARN O=C(Nc1ccccn1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1F ZINC000067295059 569467955 /nfs/dbraw/zinc/46/79/55/569467955.db2.gz BLCGWXALIZPKBK-DAFNUICNSA-N 0 0 438.256 5.214 50 0 IKAARN O=C(Nc1ccccn1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1 ZINC000067295067 569467962 /nfs/dbraw/zinc/46/79/62/569467962.db2.gz MVHRICGQDFFXEX-DAFNUICNSA-N 0 0 438.256 5.214 50 0 IKAARN CCOc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067295658 569467991 /nfs/dbraw/zinc/46/79/91/569467991.db2.gz LSYRWTJMYKWEMC-RFBIWTDZSA-N 0 0 429.476 5.028 50 0 IKAARN CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 ZINC000067296951 569467996 /nfs/dbraw/zinc/46/79/96/569467996.db2.gz IVLHSBPFLPBMOE-RFBIWTDZSA-N 0 0 426.472 5.403 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C(F)(F)F)cc3)oc21 ZINC000067295928 569468006 /nfs/dbraw/zinc/46/80/06/569468006.db2.gz IKYLZJLDLPILGE-XHPQRKPJSA-N 0 0 445.422 5.401 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3C(F)(F)F)oc21 ZINC000067295924 569468008 /nfs/dbraw/zinc/46/80/08/569468008.db2.gz YBQBBZDSAUHXOF-XHPQRKPJSA-N 0 0 445.422 5.401 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067297028 569468015 /nfs/dbraw/zinc/46/80/15/569468015.db2.gz KOILSQFRYOMSPN-NFFVHWSESA-N 0 0 438.405 6.125 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(F)ccc3Cl)oc21 ZINC000067295910 569468018 /nfs/dbraw/zinc/46/80/18/569468018.db2.gz RUPWLNVMXWTQHW-CLCOLTQESA-N 0 0 429.860 5.175 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)c(Cl)c3)oc21 ZINC000067295969 569468020 /nfs/dbraw/zinc/46/80/20/569468020.db2.gz LKLLYWBNBSDZRM-GFMRDNFCSA-N 0 0 425.897 5.344 50 0 IKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067296128 569468031 /nfs/dbraw/zinc/46/80/31/569468031.db2.gz MDIFYEPRXRXQIJ-BWAHOGKJSA-N 0 0 431.395 5.273 50 0 IKAARN COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 ZINC000067297176 569468033 /nfs/dbraw/zinc/46/80/33/569468033.db2.gz WAIDPWXGDVSAAL-RFBIWTDZSA-N 0 0 426.472 5.321 50 0 IKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C(F)(F)F)n1 ZINC000067297962 569468054 /nfs/dbraw/zinc/46/80/54/569468054.db2.gz MJVAADFBAKIRBL-SLMZUGIISA-N 0 0 439.393 5.345 50 0 IKAARN CCCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 ZINC000067339344 569468976 /nfs/dbraw/zinc/46/89/76/569468976.db2.gz WBMWUXZWRORBBU-VQHVLOKHSA-N 0 0 428.282 5.414 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 ZINC000067339909 569469014 /nfs/dbraw/zinc/46/90/14/569469014.db2.gz HDSNBBOLWUTJPG-PKNBQFBNSA-N 0 0 442.309 5.804 50 0 IKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)cc2c1 ZINC000067339568 569469021 /nfs/dbraw/zinc/46/90/21/569469021.db2.gz VQPQVMWQVGQTHW-SOFGYWHQSA-N 0 0 438.936 6.102 50 0 IKAARN CCn1c(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 ZINC000008620650 569469362 /nfs/dbraw/zinc/46/93/62/569469362.db2.gz HJJKWXNGBKTKJU-QGZVFWFLSA-N 0 0 432.549 5.195 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCOC3=O)n2-c2ccccc2Cl)cc1 ZINC000008622051 569469460 /nfs/dbraw/zinc/46/94/60/569469460.db2.gz IVOIQEYQYXUQDT-GOSISDBHSA-N 0 0 427.957 5.293 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccccc2Cl)cc1 ZINC000008622052 569469471 /nfs/dbraw/zinc/46/94/71/569469471.db2.gz IVOIQEYQYXUQDT-SFHVURJKSA-N 0 0 427.957 5.293 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000008633968 569469538 /nfs/dbraw/zinc/46/95/38/569469538.db2.gz PJGLYMJJKIYJDY-KRWDZBQOSA-N 0 0 445.544 5.382 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 ZINC000008657315 569469689 /nfs/dbraw/zinc/46/96/89/569469689.db2.gz USWNWCSFKVIISV-NRFANRHFSA-N 0 0 425.532 5.231 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1Cl)C(C)(C)N2 ZINC000008659731 569469721 /nfs/dbraw/zinc/46/97/21/569469721.db2.gz KUNSCJNGEYOGIK-NMWGTECJSA-N 0 0 437.417 7.075 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 ZINC000008657322 569469744 /nfs/dbraw/zinc/46/97/44/569469744.db2.gz USWNWCSFKVIISV-OAQYLSRUSA-N 0 0 425.532 5.231 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000008660813 569469761 /nfs/dbraw/zinc/46/97/61/569469761.db2.gz YBPLQMMWUHVMFO-HIFRSBDPSA-N 0 0 438.837 5.062 50 0 IKAARN Cc1cc([C@@H]2CC=C(C)[C@@H](c3ccccc3)N2C(=O)c2ccccc2)cnc1-c1ccccc1 ZINC000008694722 569470117 /nfs/dbraw/zinc/47/01/17/569470117.db2.gz YMTDDDYWBVGJMJ-JDXGNMNLSA-N 0 0 444.578 7.332 50 0 IKAARN COc1ccc(OC)c([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000008694896 569470144 /nfs/dbraw/zinc/47/01/44/569470144.db2.gz MAXBKRXEBSSSCY-DEOSSOPVSA-N 0 0 445.906 5.497 50 0 IKAARN Cc1nc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C(N)=O)c(C)c1C ZINC000008704922 569470339 /nfs/dbraw/zinc/47/03/39/569470339.db2.gz AXAGZAAJODMGCV-QHCPKHFHSA-N 0 0 429.545 5.303 50 0 IKAARN Cc1sc2nc(CSc3ccc(Br)cc3)nc(-n3ccnc3)c2c1C ZINC000008705727 569470418 /nfs/dbraw/zinc/47/04/18/569470418.db2.gz YRSHSRMLUKDXJN-UHFFFAOYSA-N 0 0 431.384 5.549 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 ZINC000008708492 569470695 /nfs/dbraw/zinc/47/06/95/569470695.db2.gz QWCRBEMEOAHZBV-INIZCTEOSA-N 0 0 431.517 5.532 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000008708811 569470715 /nfs/dbraw/zinc/47/07/15/569470715.db2.gz IJCBDFWLSYKLCL-UHFFFAOYSA-N 0 0 442.968 5.424 50 0 IKAARN O=C(CCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccs1 ZINC000008710684 569470920 /nfs/dbraw/zinc/47/09/20/569470920.db2.gz XTPZUOOQTPUGDY-UHFFFAOYSA-N 0 0 440.981 5.799 50 0 IKAARN O=C(Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1)c1ccccc1 ZINC000008717625 569471105 /nfs/dbraw/zinc/47/11/05/569471105.db2.gz QSLDPHPBAYCTKB-JYFHCDHNSA-N 0 0 436.467 5.741 50 0 IKAARN CCc1ccc2c(c1)[C@@]1(Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000008717673 569471160 /nfs/dbraw/zinc/47/11/60/569471160.db2.gz CYJJHXZMCITFHC-WIOPSUGQSA-N 0 0 429.907 5.251 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000008717831 569471188 /nfs/dbraw/zinc/47/11/88/569471188.db2.gz XIIOGCSGRHHHRZ-OAHLLOKOSA-N 0 0 449.551 5.643 50 0 IKAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000008717822 569471207 /nfs/dbraw/zinc/47/12/07/569471207.db2.gz PCJQCZSDQZNHIC-GFCCVEGCSA-N 0 0 444.343 5.632 50 0 IKAARN CC[C@@H](NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccc(Br)cc1 ZINC000008718963 569471356 /nfs/dbraw/zinc/47/13/56/569471356.db2.gz NQDXMXJPKJVDNR-OAQYLSRUSA-N 0 0 443.341 5.514 50 0 IKAARN CC[C@H](NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccc(Br)cc1 ZINC000008718962 569471371 /nfs/dbraw/zinc/47/13/71/569471371.db2.gz NQDXMXJPKJVDNR-NRFANRHFSA-N 0 0 443.341 5.514 50 0 IKAARN Cc1nc(SCc2nnc(-c3ccccc3Br)o2)[nH]c1Cc1ccccc1 ZINC000008720097 569471500 /nfs/dbraw/zinc/47/15/00/569471500.db2.gz KDOOIOSUZVOCIP-UHFFFAOYSA-N 0 0 441.354 5.414 50 0 IKAARN CC(=O)N(c1nc(CSc2nccn2-c2ccc(C)c(C)c2)cs1)c1cccc(C)c1 ZINC000008719913 569471522 /nfs/dbraw/zinc/47/15/22/569471522.db2.gz QIBXHKNFIQTKRT-UHFFFAOYSA-N 0 0 448.617 6.231 50 0 IKAARN COc1ccc(CCC(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC000008720495 569471573 /nfs/dbraw/zinc/47/15/73/569471573.db2.gz PYXCUWMPDLJHMU-LJQANCHMSA-N 0 0 443.547 5.195 50 0 IKAARN COc1ccccc1-n1c(SCCCC(=O)c2cccs2)nnc1N1CCCCC1 ZINC000008720806 569471662 /nfs/dbraw/zinc/47/16/62/569471662.db2.gz MKIBHOYUKBEIHM-UHFFFAOYSA-N 0 0 442.610 5.083 50 0 IKAARN COc1cc(/C=C2\SC(=N)N(c3ccccc3C(F)(F)F)C2=O)cc(Cl)c1O ZINC000008721664 569471735 /nfs/dbraw/zinc/47/17/35/569471735.db2.gz BNDDRKNQSGJEDM-YXZMWACZSA-N 0 0 428.819 5.129 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008722373 569471824 /nfs/dbraw/zinc/47/18/24/569471824.db2.gz GMDGXPSKSJFLLN-WYRIXSBYSA-N 0 0 443.366 5.750 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2-c2cccc(C)c2)c2ccccc2)cc1 ZINC000008724181 569471952 /nfs/dbraw/zinc/47/19/52/569471952.db2.gz KRZNOSURFKUXPV-QHCPKHFHSA-N 0 0 444.560 5.365 50 0 IKAARN COc1ccc(NC(=O)[C@H](Sc2nnc(C)n2-c2cccc(C)c2)c2ccccc2)cc1 ZINC000008724182 569471975 /nfs/dbraw/zinc/47/19/75/569471975.db2.gz KRZNOSURFKUXPV-HSZRJFAPSA-N 0 0 444.560 5.365 50 0 IKAARN O=[S@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000008733523 569472484 /nfs/dbraw/zinc/47/24/84/569472484.db2.gz QEDQOIMWAJZJCA-SANMLTNESA-N 0 0 425.764 5.691 50 0 IKAARN O=[S@@](Cc1ccc(Cl)cc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000008733521 569472487 /nfs/dbraw/zinc/47/24/87/569472487.db2.gz SSTUNBWCHUQWAS-HHHXNRCGSA-N 0 0 439.791 5.832 50 0 IKAARN COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2cccc(C(F)(F)F)c2)cn1 ZINC000008733575 569472532 /nfs/dbraw/zinc/47/25/32/569472532.db2.gz XMJDMEHYGWCLTO-CCEZHUSRSA-N 0 0 437.270 5.628 50 0 IKAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc4c(c3)c3ccccc3n4C)NC(=O)CCN21 ZINC000008740331 569472783 /nfs/dbraw/zinc/47/27/83/569472783.db2.gz QQAASYYAXUSHPT-UCCVUAKISA-N 0 0 435.571 5.667 50 0 biogenic IKAARN CCOc1cc(-c2ccc(OC)c(OC)c2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c21 ZINC000008740241 569472792 /nfs/dbraw/zinc/47/27/92/569472792.db2.gz JFINNVVIAOWJTM-BYNJWEBRSA-N 0 0 443.543 6.673 50 0 biogenic IKAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CCc2[nH]c3ccccc3c2C1 ZINC000008748075 569473191 /nfs/dbraw/zinc/47/31/91/569473191.db2.gz PVKQNSSMDWXBAH-UHFFFAOYSA-N 0 0 428.517 5.306 50 0 IKAARN CC[C@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1Cc1ccccc1)N(C)C ZINC000008751660 569473466 /nfs/dbraw/zinc/47/34/66/569473466.db2.gz LUPVQUUBYMSFSW-LJQANCHMSA-N 0 0 434.565 5.060 50 0 IKAARN CC[C@@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1Cc1ccccc1)N(C)C ZINC000008751654 569473479 /nfs/dbraw/zinc/47/34/79/569473479.db2.gz LUPVQUUBYMSFSW-IBGZPJMESA-N 0 0 434.565 5.060 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(Cl)cc3)CC2=O)c1 ZINC000008752412 569473514 /nfs/dbraw/zinc/47/35/14/569473514.db2.gz QRJKVLSJKHCJBX-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 ZINC000008752307 569473517 /nfs/dbraw/zinc/47/35/17/569473517.db2.gz GSUHFFLOLSWGFJ-QFIPXVFZSA-N 0 0 439.559 5.588 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3cccc(C)c3)CC2=O)cc1 ZINC000008752270 569473519 /nfs/dbraw/zinc/47/35/19/569473519.db2.gz URVSRZJELYLZMN-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 ZINC000008752304 569473532 /nfs/dbraw/zinc/47/35/32/569473532.db2.gz GSUHFFLOLSWGFJ-JOCHJYFZSA-N 0 0 439.559 5.588 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c1 ZINC000008752555 569473560 /nfs/dbraw/zinc/47/35/60/569473560.db2.gz ZTCGBWNJRGFJEO-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000008752513 569473561 /nfs/dbraw/zinc/47/35/61/569473561.db2.gz SCNCCWHXBSITJO-QFIPXVFZSA-N 0 0 439.559 5.737 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 ZINC000008752505 569473573 /nfs/dbraw/zinc/47/35/73/569473573.db2.gz ACNYPHBPSPDGNO-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000008752452 569473589 /nfs/dbraw/zinc/47/35/89/569473589.db2.gz KXTLPTYOKACYIZ-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c(C)c1 ZINC000008752705 569473597 /nfs/dbraw/zinc/47/35/97/569473597.db2.gz OSBLPYUGJFNKEN-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(C(C)C)c(OCCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1 ZINC000008752608 569473598 /nfs/dbraw/zinc/47/35/98/569473598.db2.gz LLBVSFMHXVGRSH-UHFFFAOYSA-N 0 0 445.563 5.503 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 ZINC000008752975 569473626 /nfs/dbraw/zinc/47/36/26/569473626.db2.gz IOXCBEIXAFRUCY-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Clc1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)cc1 ZINC000008752755 569473641 /nfs/dbraw/zinc/47/36/41/569473641.db2.gz JACOHKYDQPIVGD-UHFFFAOYSA-N 0 0 441.944 6.039 50 0 IKAARN CCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000008752896 569473642 /nfs/dbraw/zinc/47/36/42/569473642.db2.gz HUQAYMYGBPQDMJ-KRWDZBQOSA-N 0 0 429.486 6.156 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 ZINC000008752972 569473644 /nfs/dbraw/zinc/47/36/44/569473644.db2.gz IOXCBEIXAFRUCY-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CSc1cccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000008753103 569473651 /nfs/dbraw/zinc/47/36/51/569473651.db2.gz MXXHQUUHUXFGDX-HXUWFJFHSA-N 0 0 427.573 5.521 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1C ZINC000008752819 569473659 /nfs/dbraw/zinc/47/36/59/569473659.db2.gz GWWIHNMEMAZSKI-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1Cc1ccccc1 ZINC000008753298 569473694 /nfs/dbraw/zinc/47/36/94/569473694.db2.gz DQBOYKNAJYTEPR-SFHVURJKSA-N 0 0 433.914 5.393 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000008753327 569473712 /nfs/dbraw/zinc/47/37/12/569473712.db2.gz BCJHMSRUXGQCJK-HSZRJFAPSA-N 0 0 439.559 5.330 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000008753795 569473713 /nfs/dbraw/zinc/47/37/13/569473713.db2.gz DUWCFMCOCFAMSM-UHFFFAOYSA-N 0 0 429.867 5.290 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000008753797 569473730 /nfs/dbraw/zinc/47/37/30/569473730.db2.gz NVCXSFCWPRBAOD-UHFFFAOYSA-N 0 0 429.867 5.290 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)ccc2OC)cc1 ZINC000008754015 569473791 /nfs/dbraw/zinc/47/37/91/569473791.db2.gz FOXMSHYFJOTFES-UHFFFAOYSA-N 0 0 427.884 5.294 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1CCc1ccc(F)cc1 ZINC000008754019 569473823 /nfs/dbraw/zinc/47/38/23/569473823.db2.gz GOVPAYGQYUAZKG-UHFFFAOYSA-N 0 0 449.551 5.436 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000008754851 569473836 /nfs/dbraw/zinc/47/38/36/569473836.db2.gz NKCCOWTZNZCYLE-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN COc1ccccc1OCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000008754643 569473862 /nfs/dbraw/zinc/47/38/62/569473862.db2.gz YUFDPVUOASAKRI-IBGZPJMESA-N 0 0 435.568 5.019 50 0 IKAARN COc1ccc(OCCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000008754650 569473880 /nfs/dbraw/zinc/47/38/80/569473880.db2.gz JYHFOWCZPYVLDE-LJQANCHMSA-N 0 0 435.568 5.019 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000008755005 569473893 /nfs/dbraw/zinc/47/38/93/569473893.db2.gz BJPDVJNZLYNLIF-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)cc1C ZINC000008755480 569473935 /nfs/dbraw/zinc/47/39/35/569473935.db2.gz XOMFJHQCLSXIIN-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000008755551 569473949 /nfs/dbraw/zinc/47/39/49/569473949.db2.gz UIHMFCPTXSAILW-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O ZINC000008755563 569473959 /nfs/dbraw/zinc/47/39/59/569473959.db2.gz UEIFTMNHCNFUSX-QGZVFWFLSA-N 0 0 433.914 5.706 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000008755864 569473985 /nfs/dbraw/zinc/47/39/85/569473985.db2.gz AYNNXLKPFOGXGC-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 ZINC000008755654 569474001 /nfs/dbraw/zinc/47/40/01/569474001.db2.gz ALJIALGARQGPJP-UYAOXDASSA-N 0 0 441.531 5.183 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000008755882 569474026 /nfs/dbraw/zinc/47/40/26/569474026.db2.gz IKQFZFFUAOIHOX-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756132 569474047 /nfs/dbraw/zinc/47/40/47/569474047.db2.gz WTEYVTFBXMKQHH-NRFANRHFSA-N 0 0 427.523 5.868 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 ZINC000008756138 569474070 /nfs/dbraw/zinc/47/40/70/569474070.db2.gz FLSOFSAWRSKDRT-HXUWFJFHSA-N 0 0 443.522 5.392 50 0 IKAARN COc1ccc(OC)c(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c1 ZINC000008756971 569474113 /nfs/dbraw/zinc/47/41/13/569474113.db2.gz JVVDKINAPFEIFG-UHFFFAOYSA-N 0 0 439.581 5.298 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000008756982 569474130 /nfs/dbraw/zinc/47/41/30/569474130.db2.gz DHQBWIOYEJIKJB-UHFFFAOYSA-N 0 0 437.565 5.052 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 ZINC000008758463 569474157 /nfs/dbraw/zinc/47/41/57/569474157.db2.gz TUNUXWJDPGIPJE-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000008761753 569474289 /nfs/dbraw/zinc/47/42/89/569474289.db2.gz KECIRKQYSXVOBI-UHFFFAOYSA-N 0 0 440.450 5.323 50 0 IKAARN CSc1cc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000008762404 569474323 /nfs/dbraw/zinc/47/43/23/569474323.db2.gz NZUZGWRXXORVAH-UHFFFAOYSA-N 0 0 427.900 7.062 50 0 IKAARN COc1cc(Br)cc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc21 ZINC000008763802 569474453 /nfs/dbraw/zinc/47/44/53/569474453.db2.gz FUCBRHQPSFKWQG-UHFFFAOYSA-N 0 0 443.080 5.123 50 0 IKAARN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008765775 569474767 /nfs/dbraw/zinc/47/47/67/569474767.db2.gz YKNZYQLXMBYGBO-UHFFFAOYSA-N 0 0 449.528 5.619 50 0 IKAARN COc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000008771461 569475208 /nfs/dbraw/zinc/47/52/08/569475208.db2.gz JKXOJJHNOSMDGN-PBBVDAKRSA-N 0 0 449.595 6.322 50 0 IKAARN COc1ccccc1/N=c1/scc(-c2ccccc2)n1CCc1c[nH]c2ccccc12 ZINC000008771392 569475245 /nfs/dbraw/zinc/47/52/45/569475245.db2.gz YAEMOGBIMMHUFY-BYCLXTJYSA-N 0 0 425.557 6.182 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008771706 569475251 /nfs/dbraw/zinc/47/52/51/569475251.db2.gz KLJYDOWCWHBHHT-NRFANRHFSA-N 0 0 439.968 5.397 50 0 IKAARN COc1cc(C(=O)N(C)Cc2ccc(C)o2)cc(Br)c1OCc1ccccc1 ZINC000008772505 569475304 /nfs/dbraw/zinc/47/53/04/569475304.db2.gz CTNJLWVVEGCBDX-UHFFFAOYSA-N 0 0 444.325 5.210 50 0 IKAARN COc1ccc2c(c1)CCc1c-2nn(-c2nc(-c3ccccn3)cs2)c1C(F)(F)F ZINC000008777940 569475479 /nfs/dbraw/zinc/47/54/79/569475479.db2.gz WOTKNQGGXKENIK-UHFFFAOYSA-N 0 0 428.439 5.184 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000008779000 569475497 /nfs/dbraw/zinc/47/54/97/569475497.db2.gz JRJBBXRIKUPJJC-PQHLKRTFSA-N 0 0 446.550 6.816 50 0 IKAARN Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cccc1-c1nc2ccccc2s1 ZINC000008781029 569475650 /nfs/dbraw/zinc/47/56/50/569475650.db2.gz FCYJIJSSUOYOTJ-ZRDIBKRKSA-N 0 0 439.367 7.230 50 0 IKAARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccc(Oc2ccccc2)cc1 ZINC000008781572 569475659 /nfs/dbraw/zinc/47/56/59/569475659.db2.gz MVDCKKHURWSQFM-UHFFFAOYSA-N 0 0 425.410 5.202 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000008781339 569475666 /nfs/dbraw/zinc/47/56/66/569475666.db2.gz LVSZVKNGFMWHIW-KRWDZBQOSA-N 0 0 448.588 6.085 50 0 IKAARN CNC(=O)c1c2ccccc2nc(-c2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 ZINC000008781705 569475688 /nfs/dbraw/zinc/47/56/88/569475688.db2.gz WRURPFABVCHALT-UHFFFAOYSA-N 0 0 439.367 6.719 50 0 IKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1c(Cl)cccc1Cl ZINC000008781680 569475707 /nfs/dbraw/zinc/47/57/07/569475707.db2.gz PCGYFJBNYXMFBX-UHFFFAOYSA-N 0 0 439.129 6.054 50 0 IKAARN O=C1/C(=C/c2ccc(Cl)cc2)N=C(SCCC(F)=C(F)F)N1c1ccc(F)cc1 ZINC000008781742 569475713 /nfs/dbraw/zinc/47/57/13/569475713.db2.gz HXIAENYHAWBELE-BOPFTXTBSA-N 0 0 440.849 6.424 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccc(Br)cc1 ZINC000008781973 569475727 /nfs/dbraw/zinc/47/57/27/569475727.db2.gz RTEHUJJZCDHNLC-UHFFFAOYSA-N 0 0 449.757 6.397 50 0 IKAARN CCCCCC1CCC(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000008782228 569475749 /nfs/dbraw/zinc/47/57/49/569475749.db2.gz GZGUWIGYJKEZOW-UHFFFAOYSA-N 0 0 435.633 7.495 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc(-n2nc3c(c2-c2ccccc2F)CCCC3)cc1 ZINC000008782186 569475755 /nfs/dbraw/zinc/47/57/55/569475755.db2.gz XDNSBFPNXXJCFQ-UHFFFAOYSA-N 0 0 431.555 6.010 50 0 IKAARN O=C(c1cccs1)n1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000008782081 569475758 /nfs/dbraw/zinc/47/57/58/569475758.db2.gz ZQVAIJOKTUXYGD-UHFFFAOYSA-N 0 0 429.328 6.186 50 0 IKAARN CCOC(=O)[C@@H]1CSC2(CCC(c3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 ZINC000008782042 569475769 /nfs/dbraw/zinc/47/57/69/569475769.db2.gz ATNOKZOSKNIADC-VZQLXNMESA-N 0 0 443.996 5.515 50 0 IKAARN CCOC(=O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)C(C)=O ZINC000008782071 569475785 /nfs/dbraw/zinc/47/57/85/569475785.db2.gz FVURURJQOKKSNL-UHFFFAOYSA-N 0 0 448.173 6.224 50 0 IKAARN FC(F)(F)c1cc(-c2ccccc2Cl)nc2cc(-c3sccc3-n3cccc3)nn21 ZINC000008782079 569475791 /nfs/dbraw/zinc/47/57/91/569475791.db2.gz KDSJWCKPVNZVFU-UHFFFAOYSA-N 0 0 444.869 6.588 50 0 IKAARN Brc1cc(Br)c2nc(-c3ccc(-c4ccccc4)cc3)ccc2c1 ZINC000008782247 569475817 /nfs/dbraw/zinc/47/58/17/569475817.db2.gz ZFTMOSQMUJKVIR-UHFFFAOYSA-N 0 0 439.150 7.094 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21)c1ccc(Cl)cc1 ZINC000008783287 569475847 /nfs/dbraw/zinc/47/58/47/569475847.db2.gz MOYIKEZCKZCHQX-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN CCc1ccc([C@@H]2CN3C(=O)N(c4cccc(C)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789115 569475865 /nfs/dbraw/zinc/47/58/65/569475865.db2.gz JHWSJHRBDQEFMX-IADCTJSHSA-N 0 0 449.554 5.868 50 0 biogenic IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2-c2ccccc2)cc1 ZINC000008788284 569475887 /nfs/dbraw/zinc/47/58/87/569475887.db2.gz CCPHSMWWGFTDJW-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000008783313 569475888 /nfs/dbraw/zinc/47/58/88/569475888.db2.gz GBCUIBKOHUTPJW-DEOSSOPVSA-N 0 0 434.948 5.128 50 0 IKAARN CCc1ccc([C@H]2CN3C(=O)N(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008788785 569475892 /nfs/dbraw/zinc/47/58/92/569475892.db2.gz OMRMWCXKBAFXLH-BTYSJIOQSA-N 0 0 449.554 5.555 50 0 biogenic IKAARN Cc1cc2oc(=O)c(CC(=O)NCc3ccncc3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008791500 569476222 /nfs/dbraw/zinc/47/62/22/569476222.db2.gz CVJUTMTURBHXJW-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)c1 ZINC000008791564 569476260 /nfs/dbraw/zinc/47/62/60/569476260.db2.gz YBOCCVGDCKONAU-UHFFFAOYSA-N 0 0 429.472 5.110 50 0 biogenic IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1ccncc1)occ3-c1ccccc1 ZINC000008792040 569476338 /nfs/dbraw/zinc/47/63/38/569476338.db2.gz BYUIQEMMEIOUCZ-UHFFFAOYSA-N 0 0 438.483 5.159 50 0 biogenic IKAARN CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 ZINC000008798569 569476385 /nfs/dbraw/zinc/47/63/85/569476385.db2.gz JYIWNOWFQQNUMD-WIOPSUGQSA-N 0 0 429.907 5.251 50 0 IKAARN CC(C)c1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000008812889 569476571 /nfs/dbraw/zinc/47/65/71/569476571.db2.gz RVKYIGMDZIMLTB-KHCICDEESA-N 0 0 432.633 7.064 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)[C@@H]1C ZINC000008812544 569476584 /nfs/dbraw/zinc/47/65/84/569476584.db2.gz RJSQKMRVDNSNOT-STXHMFSFSA-N 0 0 426.532 6.219 50 0 IKAARN CCN(C(=O)CSc1ncccc1C(=O)Oc1ccccc1Cl)c1cccc(C)c1 ZINC000008811389 569476617 /nfs/dbraw/zinc/47/66/17/569476617.db2.gz KGCNSZDXKUCHKI-UHFFFAOYSA-N 0 0 440.952 5.408 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccc(C)cc21 ZINC000008813176 569476699 /nfs/dbraw/zinc/47/66/99/569476699.db2.gz CNNYPCRIPQDYQM-UHFFFAOYSA-N 0 0 449.019 7.006 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccc(Br)cc1 ZINC000008817916 569476891 /nfs/dbraw/zinc/47/68/91/569476891.db2.gz OBTQBWLQCLLGPK-WUXMJOGZSA-N 0 0 447.288 5.047 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1oc2ccccc2c1COc1ccccc1 ZINC000008818912 569477021 /nfs/dbraw/zinc/47/70/21/569477021.db2.gz DMLDYFSSUHYAIN-UHFFFAOYSA-N 0 0 440.524 6.311 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000008825118 569477295 /nfs/dbraw/zinc/47/72/95/569477295.db2.gz JQKGXMSDPSEMFX-GFCCVEGCSA-N 0 0 443.256 5.075 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3ccc(Cl)cc3)o2)cs1)c1ccccc1 ZINC000008825003 569477310 /nfs/dbraw/zinc/47/73/10/569477310.db2.gz WQNJDVMQNFADBN-UHFFFAOYSA-N 0 0 442.953 5.823 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)OCc1cc2ccccc2nc1Cl ZINC000008825262 569477369 /nfs/dbraw/zinc/47/73/69/569477369.db2.gz MNJKYAUJXNZMLO-UHFFFAOYSA-N 0 0 445.993 5.879 50 0 IKAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(-c3ccc(F)cc3)o2)cs1 ZINC000008825759 569477433 /nfs/dbraw/zinc/47/74/33/569477433.db2.gz PKSLJSMMTPISEJ-UHFFFAOYSA-N 0 0 440.525 5.114 50 0 IKAARN COc1cc(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC ZINC000008825910 569477530 /nfs/dbraw/zinc/47/75/30/569477530.db2.gz CMEIGTFGKAGHOD-UHFFFAOYSA-N 0 0 432.929 5.061 50 0 IKAARN C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008826305 569477544 /nfs/dbraw/zinc/47/75/44/569477544.db2.gz MRDIZTNNEUVFEJ-OAHLLOKOSA-N 0 0 431.517 5.174 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)n1 ZINC000008827448 569477634 /nfs/dbraw/zinc/47/76/34/569477634.db2.gz JLKKEQJZVHNSIE-QGZVFWFLSA-N 0 0 426.856 5.100 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 ZINC000008827450 569477646 /nfs/dbraw/zinc/47/76/46/569477646.db2.gz OISWETCRPWODLO-QGZVFWFLSA-N 0 0 443.311 5.615 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 ZINC000008828200 569477761 /nfs/dbraw/zinc/47/77/61/569477761.db2.gz NBUUMQWGGAJHQQ-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O ZINC000008828203 569477766 /nfs/dbraw/zinc/47/77/66/569477766.db2.gz RWQWBERRPBQJBD-JOCHJYFZSA-N 0 0 439.559 5.737 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 ZINC000008828189 569477790 /nfs/dbraw/zinc/47/77/90/569477790.db2.gz YGNQYBHTMULWAT-HXUWFJFHSA-N 0 0 441.531 5.035 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3cccs3)oc3c4ccccc4sc3c2=O)cc1 ZINC000008836301 569478047 /nfs/dbraw/zinc/47/80/47/569478047.db2.gz MFSFWCFQLQGEIK-UHFFFAOYSA-N 0 0 433.510 5.997 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)cc1 ZINC000008836469 569478064 /nfs/dbraw/zinc/47/80/64/569478064.db2.gz CLOKEBVGHKNQLG-UHFFFAOYSA-N 0 0 426.951 6.646 50 0 IKAARN Clc1ccc(Cn2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 ZINC000008836466 569478105 /nfs/dbraw/zinc/47/81/05/569478105.db2.gz BAUJTXZOWQPQMV-UHFFFAOYSA-N 0 0 449.739 6.111 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccccc3Br)ccc2oc1C(C)(C)C ZINC000008837226 569478137 /nfs/dbraw/zinc/47/81/37/569478137.db2.gz OOSSMTIERITDSU-UHFFFAOYSA-N 0 0 431.326 6.249 50 0 IKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC)c(Cl)c4)cc3n2)cc1 ZINC000008843194 569478487 /nfs/dbraw/zinc/47/84/87/569478487.db2.gz BZMFESBAQZBFCZ-UHFFFAOYSA-N 0 0 436.899 5.124 50 0 IKAARN Cc1nn2c(nc(C)cc2SCC(=O)Nc2ccc(O)cc2)c1-c1ccc(Cl)cc1 ZINC000008843988 569478553 /nfs/dbraw/zinc/47/85/53/569478553.db2.gz HHRMVTFRTOQDHH-UHFFFAOYSA-N 0 0 438.940 5.103 50 0 IKAARN CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(OC)cc3)c3ccccn32)cc1 ZINC000008844897 569478654 /nfs/dbraw/zinc/47/86/54/569478654.db2.gz YNXCGQVNXYERMA-UHFFFAOYSA-N 0 0 441.531 5.356 50 0 IKAARN CCCOc1cccc([C@@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)c1 ZINC000008845244 569478740 /nfs/dbraw/zinc/47/87/40/569478740.db2.gz WUVXXHIYKIOUAS-RUZDIDTESA-N 0 0 443.503 5.218 50 0 IKAARN CCCOc1ccc([C@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845263 569478755 /nfs/dbraw/zinc/47/87/55/569478755.db2.gz HYASTTGXIYIRSZ-VWLOTQADSA-N 0 0 443.503 5.218 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O ZINC000008845966 569478939 /nfs/dbraw/zinc/47/89/39/569478939.db2.gz JPNIKOIXWQKTHA-OAQYLSRUSA-N 0 0 434.854 5.034 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000008846280 569479092 /nfs/dbraw/zinc/47/90/92/569479092.db2.gz QEBAQORXXZIJBP-QHCPKHFHSA-N 0 0 444.462 5.174 50 0 IKAARN COc1cc([C@@H]2c3cc(C)c(C)cc3Nc3c4ccccc4oc(=O)c32)cc(OC)c1OC ZINC000008846839 569479153 /nfs/dbraw/zinc/47/91/53/569479153.db2.gz MAJSNNSKEWKTCC-HSZRJFAPSA-N 0 0 443.499 5.673 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c1 ZINC000008848647 569479176 /nfs/dbraw/zinc/47/91/76/569479176.db2.gz IGABRQKTPSFGTE-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN CC(C)c1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008851966 569479458 /nfs/dbraw/zinc/47/94/58/569479458.db2.gz HNDLVWLAIKUZGK-UHFFFAOYSA-N 0 0 443.569 5.318 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)cc1 ZINC000008852981 569479499 /nfs/dbraw/zinc/47/94/99/569479499.db2.gz ANVLSDSGHDEUBI-UHFFFAOYSA-N 0 0 445.997 5.325 50 0 IKAARN Cc1ccc2nc(NC(=O)Cc3csc(SCc4ccc(Cl)cc4)n3)sc2c1 ZINC000008854467 569479632 /nfs/dbraw/zinc/47/96/32/569479632.db2.gz UMIONCCDFHVYCO-UHFFFAOYSA-N 0 0 446.022 6.188 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc(OC)c1 ZINC000008853748 569479646 /nfs/dbraw/zinc/47/96/46/569479646.db2.gz GKKPUSVQSGPXBT-UHFFFAOYSA-N 0 0 428.579 5.251 50 0 IKAARN Clc1ccc(-c2cs/c(=N\c3cc(Cl)ccc3Cl)n2-c2ccccc2)cc1 ZINC000008855071 569479656 /nfs/dbraw/zinc/47/96/56/569479656.db2.gz YBMKBIXQLFXHNQ-DAFNUICNSA-N 0 0 431.775 7.398 50 0 IKAARN COc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc21 ZINC000008855515 569479663 /nfs/dbraw/zinc/47/96/63/569479663.db2.gz UDPNSAIXDWSRPZ-KRWDZBQOSA-N 0 0 429.545 5.102 50 0 IKAARN CCOc1ccccc1/C=C/c1nc2c(Oc3ccccc3)cccc2c2c1CCS2 ZINC000008855475 569479672 /nfs/dbraw/zinc/47/96/72/569479672.db2.gz DRKDWMZVXWREGJ-FOCLMDBBSA-N 0 0 425.553 7.244 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1CCc1ccccc1 ZINC000008856707 569479765 /nfs/dbraw/zinc/47/97/65/569479765.db2.gz DBPLXBLACOWYGV-NTCAYCPXSA-N 0 0 431.333 5.572 50 0 IKAARN CC1(C)Cc2ccccc2C(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)=N1 ZINC000008856560 569479810 /nfs/dbraw/zinc/47/98/10/569479810.db2.gz RIFKKECPBZWCLB-UHFFFAOYSA-N 0 0 433.524 6.140 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1C ZINC000008857550 569479827 /nfs/dbraw/zinc/47/98/27/569479827.db2.gz JAONASINMYZOSW-OAHLLOKOSA-N 0 0 433.573 6.437 50 0 IKAARN Clc1ccc(OCCCn2c3ccccc3nc2-c2cccc(Br)c2)cc1 ZINC000008860201 569479863 /nfs/dbraw/zinc/47/98/63/569479863.db2.gz QPMKNZOMRIJOIF-UHFFFAOYSA-N 0 0 441.756 6.588 50 0 IKAARN COc1ccc(N=C2NN=C(c3cc(C)n(Cc4cccs4)c3C)CS2)cc1OC ZINC000008860974 569479902 /nfs/dbraw/zinc/47/99/02/569479902.db2.gz JMAZKOITQNJOEU-UHFFFAOYSA-N 0 0 440.594 5.151 50 0 IKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 ZINC000008860256 569479929 /nfs/dbraw/zinc/47/99/29/569479929.db2.gz RKSFSJQMUPPRLH-UHFFFAOYSA-N 0 0 448.994 7.035 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000008861284 569479982 /nfs/dbraw/zinc/47/99/82/569479982.db2.gz GULPILMYDJOJSC-UHFFFAOYSA-N 0 0 439.355 6.556 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000008861243 569480003 /nfs/dbraw/zinc/48/00/03/569480003.db2.gz YKUUPGHUGZTDFD-UHFFFAOYSA-N 0 0 426.903 6.571 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000008861738 569480032 /nfs/dbraw/zinc/48/00/32/569480032.db2.gz PMRXKUROROHELJ-HSZRJFAPSA-N 0 0 441.512 5.943 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1cccc2ccccc21 ZINC000008862341 569480181 /nfs/dbraw/zinc/48/01/81/569480181.db2.gz JOJQPUSEFOZJGS-UHFFFAOYSA-N 0 0 432.549 5.927 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(CN5CCCC5=O)cc4)cc3)sc2c1 ZINC000008862537 569480237 /nfs/dbraw/zinc/48/02/37/569480237.db2.gz MJIMUTKEGGEEAL-UHFFFAOYSA-N 0 0 441.556 5.646 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000008868770 569480393 /nfs/dbraw/zinc/48/03/93/569480393.db2.gz GSYUQMKGEBRQCT-DEOSSOPVSA-N 0 0 449.547 5.332 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000008869921 569480476 /nfs/dbraw/zinc/48/04/76/569480476.db2.gz NEWANSVJNXBMHV-GOSISDBHSA-N 0 0 442.770 5.542 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000008869920 569480486 /nfs/dbraw/zinc/48/04/86/569480486.db2.gz NEWANSVJNXBMHV-SFHVURJKSA-N 0 0 442.770 5.542 50 0 IKAARN CCCc1oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)OCC ZINC000008870338 569480510 /nfs/dbraw/zinc/48/05/10/569480510.db2.gz LECTYQLQFPXDDE-UHFFFAOYSA-N 0 0 443.565 5.596 50 0 IKAARN CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000008870329 569480525 /nfs/dbraw/zinc/48/05/25/569480525.db2.gz NQTKNQMMXBDHRX-UHFFFAOYSA-N 0 0 435.929 5.461 50 0 IKAARN COC(=O)c1c2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)c(C)cc2oc1C(C)(C)C ZINC000008870356 569480534 /nfs/dbraw/zinc/48/05/34/569480534.db2.gz JCRMJLGWGSRKIZ-UHFFFAOYSA-N 0 0 443.565 5.551 50 0 IKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C[C@@H](C(C)(C)C)CC3 ZINC000008870297 569480574 /nfs/dbraw/zinc/48/05/74/569480574.db2.gz NDAUSSIBTZHZIR-HNNXBMFYSA-N 0 0 431.985 6.346 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C[C@@H](C(C)(C)C)CC2)c(C)c1 ZINC000008870323 569480584 /nfs/dbraw/zinc/48/05/84/569480584.db2.gz LFGKVXVKVAWOBL-IBGZPJMESA-N 0 0 439.621 6.618 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 ZINC000008871380 569480746 /nfs/dbraw/zinc/48/07/46/569480746.db2.gz NRSGXAAQNKAXPS-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000008871281 569480785 /nfs/dbraw/zinc/48/07/85/569480785.db2.gz XNFIOYMNYIQUGC-LJQANCHMSA-N 0 0 445.950 5.657 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000008871285 569480791 /nfs/dbraw/zinc/48/07/91/569480791.db2.gz JVMJTPYZRLXXAX-LJQANCHMSA-N 0 0 445.950 5.657 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000008871503 569480806 /nfs/dbraw/zinc/48/08/06/569480806.db2.gz XZJFYECBSODGBU-LJQANCHMSA-N 0 0 449.476 5.932 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)cc1 ZINC000008871455 569480818 /nfs/dbraw/zinc/48/08/18/569480818.db2.gz LCVKBMCSKIPLLT-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 ZINC000008871451 569480826 /nfs/dbraw/zinc/48/08/26/569480826.db2.gz VEYGFXKXZJPHON-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 ZINC000008871534 569480842 /nfs/dbraw/zinc/48/08/42/569480842.db2.gz IUVQNPWHOYSELO-NJTIBFSMSA-N 0 0 437.543 5.669 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 ZINC000008871869 569480848 /nfs/dbraw/zinc/48/08/48/569480848.db2.gz LNHVGCLCTVXGPH-QGZVFWFLSA-N 0 0 441.593 6.092 50 0 IKAARN CCc1ccc(CC)c(S(=O)(=O)Nc2cc3c(oc(C)c3C(C)=O)c3ccccc23)c1 ZINC000008871943 569480878 /nfs/dbraw/zinc/48/08/78/569480878.db2.gz JIBWPBRCGMEESN-UHFFFAOYSA-N 0 0 435.545 6.023 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008874901 569481066 /nfs/dbraw/zinc/48/10/66/569481066.db2.gz YTSAAUWGZRTHMJ-JEOXALJRSA-N 0 0 432.467 6.006 50 0 IKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc(C)cc2C)nn1 ZINC000008875944 569481096 /nfs/dbraw/zinc/48/10/96/569481096.db2.gz HCLHWFBGJQYPBO-UHFFFAOYSA-N 0 0 447.589 5.318 50 0 IKAARN COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccccc4Cl)nn3)s2)cc1 ZINC000008875832 569481099 /nfs/dbraw/zinc/48/10/99/569481099.db2.gz CKJYEYPOJCSGCZ-UHFFFAOYSA-N 0 0 439.993 6.530 50 0 IKAARN Cc1coc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c5ccc(Cl)cc45)c(C)c3cc12 ZINC000008876902 569481158 /nfs/dbraw/zinc/48/11/58/569481158.db2.gz BRODVGIPYZNLMY-UHFFFAOYSA-N 0 0 448.906 5.192 50 0 biogenic IKAARN COc1cccc(-c2nc(CSc3nnc(-c4cc(OC)cc(OC)c4)o3)cs2)c1 ZINC000008877907 569481251 /nfs/dbraw/zinc/48/12/51/569481251.db2.gz JMGFQPZPZNNARG-UHFFFAOYSA-N 0 0 441.534 5.178 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000008879439 569481396 /nfs/dbraw/zinc/48/13/96/569481396.db2.gz HJYPHUVDQQPLPC-FVFHPELPSA-N 0 0 448.632 5.355 50 0 IKAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(C)c21 ZINC000008879909 569481426 /nfs/dbraw/zinc/48/14/26/569481426.db2.gz MQYLIHOPRQVRBS-INIZCTEOSA-N 0 0 442.515 5.236 50 0 biogenic IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000008880816 569481483 /nfs/dbraw/zinc/48/14/83/569481483.db2.gz MRPNHCSRYMFKEM-UHFFFAOYSA-N 0 0 437.927 5.734 50 0 IKAARN Cc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c2nc3n(c2n1)CCCCC3 ZINC000039553704 569481739 /nfs/dbraw/zinc/48/17/39/569481739.db2.gz YCAVTXRMZZWJGX-UHFFFAOYSA-N 0 0 442.548 5.095 50 0 IKAARN Cc1noc(C)c1CSCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000039575159 569481746 /nfs/dbraw/zinc/48/17/46/569481746.db2.gz XLAROICSPJAOBC-IBGZPJMESA-N 0 0 429.929 5.149 50 0 IKAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3cccnc3)o2)c1 ZINC000039844360 569481862 /nfs/dbraw/zinc/48/18/62/569481862.db2.gz ARSYLVHFXRZGOP-UHFFFAOYSA-N 0 0 439.924 5.143 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000039707537 569481874 /nfs/dbraw/zinc/48/18/74/569481874.db2.gz QGELBIXOJGRLAN-IRLDBZIGSA-N 0 0 439.740 6.345 50 0 IKAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCc1ccc(F)cc1)c1ccccc1 ZINC000039844387 569481878 /nfs/dbraw/zinc/48/18/78/569481878.db2.gz XPGOZGPHJNCANZ-UHFFFAOYSA-N 0 0 426.444 5.065 50 0 IKAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCc1ccccc1)c1ccc(F)cc1 ZINC000039844036 569481888 /nfs/dbraw/zinc/48/18/88/569481888.db2.gz NFRIRELIYPSONJ-UHFFFAOYSA-N 0 0 426.444 5.065 50 0 IKAARN COc1ccc(CCNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000039844477 569481913 /nfs/dbraw/zinc/48/19/13/569481913.db2.gz UZSTUWXCUXLCOK-UHFFFAOYSA-N 0 0 448.544 5.146 50 0 IKAARN COc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000039844516 569481918 /nfs/dbraw/zinc/48/19/18/569481918.db2.gz VTRYSFBKQBQKDE-UHFFFAOYSA-N 0 0 434.517 5.104 50 0 IKAARN OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1Cl)c1ccccc1Cl ZINC000039929423 569481962 /nfs/dbraw/zinc/48/19/62/569481962.db2.gz SXODQZJQLKFRIH-UHFFFAOYSA-N 0 0 435.350 6.165 50 0 IKAARN FC(F)Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000039929782 569482014 /nfs/dbraw/zinc/48/20/14/569482014.db2.gz SYYYXSMEMGDUPA-KNQAVFIVSA-N 0 0 426.850 6.184 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4nc5ccccc5s4)sc3n2)cc1 ZINC000039932539 569482082 /nfs/dbraw/zinc/48/20/82/569482082.db2.gz UYUNAGMYMBUNNG-UHFFFAOYSA-N 0 0 432.530 5.416 50 0 IKAARN Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000039976108 569482159 /nfs/dbraw/zinc/48/21/59/569482159.db2.gz AUXOYIKWLFHDHA-UHFFFAOYSA-N 0 0 426.560 5.389 50 0 IKAARN C[C@@H](OC(=O)c1ccccc1SC[C@@H]1CCCO1)c1nc2ccccc2n1C(F)F ZINC000039983227 569482247 /nfs/dbraw/zinc/48/22/47/569482247.db2.gz QEJGMEQMOGEMML-CABCVRRESA-N 0 0 432.492 5.621 50 0 IKAARN C[C@H](OC(=O)c1ccccc1SC[C@@H]1CCCO1)c1nc2ccccc2n1C(F)F ZINC000039983226 569482266 /nfs/dbraw/zinc/48/22/66/569482266.db2.gz QEJGMEQMOGEMML-GJZGRUSLSA-N 0 0 432.492 5.621 50 0 IKAARN C[C@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1nc2ccccc2n1C(F)F ZINC000039983228 569482286 /nfs/dbraw/zinc/48/22/86/569482286.db2.gz QEJGMEQMOGEMML-LSDHHAIUSA-N 0 0 432.492 5.621 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nnc(NCCc2cccs2)s1 ZINC000040018236 569482683 /nfs/dbraw/zinc/48/26/83/569482683.db2.gz ODHGDUITCQUVKA-GFCCVEGCSA-N 0 0 439.031 5.335 50 0 IKAARN Clc1ccc(-c2nnc(Sc3ncnc4sccc43)n2Cc2ccco2)cc1 ZINC000040020247 569482696 /nfs/dbraw/zinc/48/26/96/569482696.db2.gz OOUDBRKBDYFGBS-UHFFFAOYSA-N 0 0 425.926 5.396 50 0 IKAARN CC(C)c1nnc(SCc2csc(-c3ccccc3Cl)n2)n1Cc1ccco1 ZINC000040024259 569482731 /nfs/dbraw/zinc/48/27/31/569482731.db2.gz WZOIUKXTAJFRBT-UHFFFAOYSA-N 0 0 430.986 6.112 50 0 IKAARN O=C(CCSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1C(=O)c1ccccc1 ZINC000040024980 569482802 /nfs/dbraw/zinc/48/28/02/569482802.db2.gz UGPUSHIBBFOVII-UHFFFAOYSA-N 0 0 447.491 5.228 50 0 IKAARN CC[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 ZINC000040032364 569483081 /nfs/dbraw/zinc/48/30/81/569483081.db2.gz KQRYBZFMNCINEM-SFHVURJKSA-N 0 0 431.305 5.443 50 0 IKAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000040034361 569483222 /nfs/dbraw/zinc/48/32/22/569483222.db2.gz GFMSSBZZKLJRSJ-LBPRGKRZSA-N 0 0 441.375 5.620 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000040039505 569483322 /nfs/dbraw/zinc/48/33/22/569483322.db2.gz SILPGWNFMFNNLZ-QHCPKHFHSA-N 0 0 444.560 5.147 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000008892315 569483462 /nfs/dbraw/zinc/48/34/62/569483462.db2.gz GHAZCVVTZWZHGN-UHFFFAOYSA-N 0 0 438.358 5.754 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000008894569 569483641 /nfs/dbraw/zinc/48/36/41/569483641.db2.gz MKPDWTIMXONYFU-XMMPIXPASA-N 0 0 442.588 5.669 50 0 IKAARN Cc1csc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 ZINC000008894967 569483722 /nfs/dbraw/zinc/48/37/22/569483722.db2.gz PDISZDMWAJNWDT-SUMWQHHRSA-N 0 0 431.970 5.556 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)NC2CCCCCC2)n1C1CCCCC1 ZINC000008894755 569483765 /nfs/dbraw/zinc/48/37/65/569483765.db2.gz JXXXLBXVEPSNPZ-UHFFFAOYSA-N 0 0 442.629 5.390 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000040049213 569483766 /nfs/dbraw/zinc/48/37/66/569483766.db2.gz ZQFFQVKSUMZPND-UHFFFAOYSA-N 0 0 435.574 5.637 50 0 IKAARN c1ccc(-c2c/c(=N\N=c3\cc(-c4ccccc4)oc4ccccc43)c3ccccc3o2)cc1 ZINC000008896063 569483892 /nfs/dbraw/zinc/48/38/92/569483892.db2.gz GCBVGYFOOUUODF-IEPGDLOPSA-N 0 0 440.502 6.930 50 0 IKAARN O=C(CSc1nncs1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000008896810 569483935 /nfs/dbraw/zinc/48/39/35/569483935.db2.gz ZJOFHYHVYQUXTA-UHFFFAOYSA-N 0 0 442.566 5.126 50 0 IKAARN Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 ZINC000008896664 569483950 /nfs/dbraw/zinc/48/39/50/569483950.db2.gz WOFYMDAMNRZXBS-GOSISDBHSA-N 0 0 428.561 5.212 50 0 IKAARN C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 ZINC000008899249 569484040 /nfs/dbraw/zinc/48/40/40/569484040.db2.gz OYSVTKKKXRMUPI-INIZCTEOSA-N 0 0 449.507 5.747 50 0 IKAARN Cc1sc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=O)c2c1-c1ccccc1 ZINC000008898734 569484069 /nfs/dbraw/zinc/48/40/69/569484069.db2.gz IKOCXWUNTMZPMT-UHFFFAOYSA-N 0 0 436.536 5.983 50 0 IKAARN O=C(CCc1ccccc1Cl)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000040050750 569484216 /nfs/dbraw/zinc/48/42/16/569484216.db2.gz UGYUHGISUQANJH-UHFFFAOYSA-N 0 0 446.978 5.378 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1 ZINC000040051590 569484467 /nfs/dbraw/zinc/48/44/67/569484467.db2.gz UPPUODAHMBZLRP-UHFFFAOYSA-N 0 0 434.569 5.119 50 0 IKAARN CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C(C)C)cc3)c2c1=O ZINC000008904170 569484555 /nfs/dbraw/zinc/48/45/55/569484555.db2.gz DDFYDYYGGLPTID-UHFFFAOYSA-N 0 0 431.561 5.450 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1)c1ccco1 ZINC000040052437 569484564 /nfs/dbraw/zinc/48/45/64/569484564.db2.gz PULYBAYNVPONHJ-UHFFFAOYSA-N 0 0 428.419 5.154 50 0 IKAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1NS(C)(=O)=O ZINC000040058885 569484658 /nfs/dbraw/zinc/48/46/58/569484658.db2.gz DOBRRDJLDOZKKY-UHFFFAOYSA-N 0 0 443.594 5.040 50 0 IKAARN COc1ccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CSC3)cc1 ZINC000008909711 569484756 /nfs/dbraw/zinc/48/47/56/569484756.db2.gz BUORBUVWJVXVHH-UHFFFAOYSA-N 0 0 443.956 5.077 50 0 IKAARN COC(=O)c1cc2c(-c3cccs3)nn(-c3ccccc3)c2n1Cc1cccc(C)c1 ZINC000008911750 569484930 /nfs/dbraw/zinc/48/49/30/569484930.db2.gz LITOGGAHEXMIRG-UHFFFAOYSA-N 0 0 427.529 5.699 50 0 IKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc12 ZINC000008912275 569484945 /nfs/dbraw/zinc/48/49/45/569484945.db2.gz QHTBFMIWSXQHPB-UHFFFAOYSA-N 0 0 440.587 6.332 50 0 IKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc12 ZINC000008912281 569484954 /nfs/dbraw/zinc/48/49/54/569484954.db2.gz XFNSPTJDUYXNCE-UHFFFAOYSA-N 0 0 430.979 6.241 50 0 IKAARN CCc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC2(CCCCC2)O4)cc1 ZINC000008912100 569484958 /nfs/dbraw/zinc/48/49/58/569484958.db2.gz GJISLGYIWBPOGU-HXUWFJFHSA-N 0 0 433.548 5.752 50 0 biogenic IKAARN Cc1oc(-c2ccccc2C)nc1Cn1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008912995 569485099 /nfs/dbraw/zinc/48/50/99/569485099.db2.gz ZOTIVGMQXNSAFA-UHFFFAOYSA-N 0 0 440.572 6.352 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008912996 569485139 /nfs/dbraw/zinc/48/51/39/569485139.db2.gz AZALRQMNLACVGT-UHFFFAOYSA-N 0 0 426.545 6.044 50 0 IKAARN Cc1cc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)ccc1Br ZINC000008912696 569485153 /nfs/dbraw/zinc/48/51/53/569485153.db2.gz QIHFJTPOJDFBCF-UHFFFAOYSA-N 0 0 430.371 5.610 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1cccc(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000008913052 569485159 /nfs/dbraw/zinc/48/51/59/569485159.db2.gz XXHFVJBSGXLHNO-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1OC)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913038 569485164 /nfs/dbraw/zinc/48/51/64/569485164.db2.gz QZOZEDPIMJZOOE-OAQYLSRUSA-N 0 0 446.576 5.630 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cn1c2cnccc2nc1SCc1cccc(F)c1 ZINC000008913048 569485169 /nfs/dbraw/zinc/48/51/69/569485169.db2.gz UJMONZWOXCSFMN-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN Cc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000008913024 569485170 /nfs/dbraw/zinc/48/51/70/569485170.db2.gz ZBQLAWVMFSAEPL-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008913017 569485179 /nfs/dbraw/zinc/48/51/79/569485179.db2.gz BCXCHZWYKFDBNP-NRFANRHFSA-N 0 0 434.540 5.761 50 0 IKAARN Cc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000008913029 569485185 /nfs/dbraw/zinc/48/51/85/569485185.db2.gz NVRUULQFLQNOQU-UHFFFAOYSA-N 0 0 430.577 5.794 50 0 IKAARN CC(C)c1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)cc1 ZINC000008913053 569485188 /nfs/dbraw/zinc/48/51/88/569485188.db2.gz LBOPDXGCGJYDAV-UHFFFAOYSA-N 0 0 434.540 5.625 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(OC)c1)n1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008913013 569485195 /nfs/dbraw/zinc/48/51/95/569485195.db2.gz JIWUXCURNNUNLZ-QFIPXVFZSA-N 0 0 446.576 5.630 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008913018 569485199 /nfs/dbraw/zinc/48/51/99/569485199.db2.gz BCXCHZWYKFDBNP-OAQYLSRUSA-N 0 0 434.540 5.761 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000008913080 569485200 /nfs/dbraw/zinc/48/52/00/569485200.db2.gz CFQRTADHDJLOLD-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913022 569485203 /nfs/dbraw/zinc/48/52/03/569485203.db2.gz FECGCQLTXWHEQL-UHFFFAOYSA-N 0 0 426.545 6.044 50 0 IKAARN CCN(C(=O)Cn1c2cnccc2nc1SCc1cccc(OC)c1)c1cccc(C)c1 ZINC000008913136 569485205 /nfs/dbraw/zinc/48/52/05/569485205.db2.gz RQYFOUPXZJTYLN-UHFFFAOYSA-N 0 0 446.576 5.094 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2cc(C)ccc2C)c1 ZINC000008913112 569485214 /nfs/dbraw/zinc/48/52/14/569485214.db2.gz RPSVRFGAANZDIG-UHFFFAOYSA-N 0 0 448.617 5.701 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1cc(C)ccc1C ZINC000008913118 569485224 /nfs/dbraw/zinc/48/52/24/569485224.db2.gz RDNBMHUPPBUGOP-QFIPXVFZSA-N 0 0 448.567 6.069 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cc(C)ccc2C)c(C)c1 ZINC000008913107 569485227 /nfs/dbraw/zinc/48/52/27/569485227.db2.gz XCBDBRKQROPOSR-UHFFFAOYSA-N 0 0 430.577 5.596 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2cnccc2nc1SCc1ccccc1F ZINC000008913171 569485239 /nfs/dbraw/zinc/48/52/39/569485239.db2.gz QXVWNGRLRLPLEN-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN CCN(C(=O)Cn1c2cnccc2nc1SCc1ccccc1F)c1cccc(C)c1 ZINC000008913184 569485245 /nfs/dbraw/zinc/48/52/45/569485245.db2.gz DRRNUQFUSSCWAG-UHFFFAOYSA-N 0 0 434.540 5.224 50 0 IKAARN CCc1ccccc1NC(=O)Cn1c2cnccc2nc1SCc1cc(C)ccc1C ZINC000008913109 569485248 /nfs/dbraw/zinc/48/52/48/569485248.db2.gz VLMQNOMZBDXZLV-UHFFFAOYSA-N 0 0 430.577 5.542 50 0 IKAARN CCc1ccccc1NC(=O)Cn1c2cnccc2nc1SCc1cccc(Cl)c1 ZINC000008913229 569485265 /nfs/dbraw/zinc/48/52/65/569485265.db2.gz XXITXNMXNNRWCQ-UHFFFAOYSA-N 0 0 436.968 5.578 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008913284 569485287 /nfs/dbraw/zinc/48/52/87/569485287.db2.gz NRRJHTKTEOHKQJ-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000008913317 569485300 /nfs/dbraw/zinc/48/53/00/569485300.db2.gz HAYWCZLIFVYZET-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN CC(C)CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008913456 569485307 /nfs/dbraw/zinc/48/53/07/569485307.db2.gz GJZSNBKRHYSQHA-UHFFFAOYSA-N 0 0 444.604 5.548 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008913482 569485314 /nfs/dbraw/zinc/48/53/14/569485314.db2.gz LGSAKBOMWCFOQQ-SFHVURJKSA-N 0 0 430.577 5.300 50 0 IKAARN CC(C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008913377 569485321 /nfs/dbraw/zinc/48/53/21/569485321.db2.gz BMICPUPCSGXMMZ-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 ZINC000008913350 569485326 /nfs/dbraw/zinc/48/53/26/569485326.db2.gz CFBFJDQHBMKANI-UHFFFAOYSA-N 0 0 434.540 5.051 50 0 IKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Br)c1 ZINC000040069411 569485347 /nfs/dbraw/zinc/48/53/47/569485347.db2.gz YPWLTJYKLCRXDW-ZDUSSCGKSA-N 0 0 433.733 5.568 50 0 IKAARN Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000008913520 569485367 /nfs/dbraw/zinc/48/53/67/569485367.db2.gz FJYAWCNVHXBNPA-UHFFFAOYSA-N 0 0 430.577 5.219 50 0 IKAARN CC(C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008913598 569485368 /nfs/dbraw/zinc/48/53/68/569485368.db2.gz AGYKOUZTVPEXKV-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN O=C(c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1)N1CCCC1 ZINC000008913612 569485370 /nfs/dbraw/zinc/48/53/70/569485370.db2.gz DJXFLEODZLIOJW-UHFFFAOYSA-N 0 0 446.551 5.147 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008913592 569485374 /nfs/dbraw/zinc/48/53/74/569485374.db2.gz OFCCCENGQVWFRK-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c(C)c1 ZINC000008915492 569485546 /nfs/dbraw/zinc/48/55/46/569485546.db2.gz HLZBGVVDXILFPU-FQEVSTJZSA-N 0 0 436.379 5.505 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000008915476 569485553 /nfs/dbraw/zinc/48/55/53/569485553.db2.gz FAAHPDLXUPUZQU-HNNXBMFYSA-N 0 0 433.162 6.122 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000008915708 569485557 /nfs/dbraw/zinc/48/55/57/569485557.db2.gz AWRMZJNVSNPSBT-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN Cc1ccc2c(=O)cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)oc2c1 ZINC000008915597 569485571 /nfs/dbraw/zinc/48/55/71/569485571.db2.gz GDLIURBLCCOSKS-UHFFFAOYSA-N 0 0 441.414 5.470 50 0 IKAARN COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000008915811 569485610 /nfs/dbraw/zinc/48/56/10/569485610.db2.gz MZZMUKFKLALWSD-QGZVFWFLSA-N 0 0 449.913 5.406 50 0 IKAARN COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 ZINC000008915815 569485632 /nfs/dbraw/zinc/48/56/32/569485632.db2.gz WYDWJMQMFJGKSA-IBGZPJMESA-N 0 0 445.950 5.576 50 0 IKAARN Cc1cccc(OCCCOc2ccc(C)cc2/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000008915992 569485652 /nfs/dbraw/zinc/48/56/52/569485652.db2.gz NWSZMVZJOZQVSP-HKOYGPOVSA-N 0 0 427.500 5.496 50 0 IKAARN CC(=O)N(c1nn(CN(Cc2ccc(F)cc2)C2CCCCC2)c(=S)s1)C1CC1 ZINC000040071351 569485719 /nfs/dbraw/zinc/48/57/19/569485719.db2.gz UNWXHNZYKMYBDX-UHFFFAOYSA-N 0 0 434.606 5.121 50 0 IKAARN COc1ccc([C@@H](O)Cc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 ZINC000008916523 569485781 /nfs/dbraw/zinc/48/57/81/569485781.db2.gz JMERSEKGZYRQDV-QFIPXVFZSA-N 0 0 437.337 5.132 50 0 IKAARN COc1ccc(CNc2oc(-c3ccc(C(C)(C)C)cc3)nc2P(=O)(OC)OC)cc1 ZINC000008916498 569485806 /nfs/dbraw/zinc/48/58/06/569485806.db2.gz SNLMEPXCZSMVPZ-UHFFFAOYSA-N 0 0 444.468 5.371 50 0 IKAARN Cc1cc2nc(Sc3nnc(-c4cccnc4)n3Cc3ccccc3)c3ccccc3n2n1 ZINC000040071546 569485811 /nfs/dbraw/zinc/48/58/11/569485811.db2.gz LFMYJYVFAIIRAJ-UHFFFAOYSA-N 0 0 449.543 5.044 50 0 IKAARN Cc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4cccc(Cl)c4)N3C2=O)c1 ZINC000008917887 569486139 /nfs/dbraw/zinc/48/61/39/569486139.db2.gz XTRARPMVPVDXHB-LADGPHEKSA-N 0 0 441.918 5.613 50 0 biogenic IKAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3)cc(O)c2C(=O)O1 ZINC000008918369 569486253 /nfs/dbraw/zinc/48/62/53/569486253.db2.gz SHEUNWNBJVAJOA-GALSZHCDSA-N 0 0 442.939 6.106 50 0 IKAARN CCOc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=O)cc1 ZINC000008918495 569486269 /nfs/dbraw/zinc/48/62/69/569486269.db2.gz HSVRUODOWQRXHM-ZCYQVOJMSA-N 0 0 437.499 5.050 50 0 biogenic IKAARN CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Br)cc3)NC(=O)CCN21 ZINC000008918379 569486298 /nfs/dbraw/zinc/48/62/98/569486298.db2.gz MIMHOWBZOWDYHU-BWSGXRDBSA-N 0 0 425.370 5.039 50 0 biogenic IKAARN O=C(Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O)Nc1ccccc1Cl ZINC000008919409 569486382 /nfs/dbraw/zinc/48/63/82/569486382.db2.gz IIVJXIZKKLWVFT-UHFFFAOYSA-N 0 0 449.963 5.296 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2Br)N3)C1 ZINC000008919488 569486383 /nfs/dbraw/zinc/48/63/83/569486383.db2.gz FKNKZPSWMNBJEP-BBATYDOGSA-N 0 0 449.414 6.186 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000008920681 569486513 /nfs/dbraw/zinc/48/65/13/569486513.db2.gz FMWIIWLORXXMHT-UHFFFAOYSA-N 0 0 444.922 6.415 50 0 IKAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c1 ZINC000008920534 569486536 /nfs/dbraw/zinc/48/65/36/569486536.db2.gz YXDHUPRHQFCOJZ-UHFFFAOYSA-N 0 0 444.531 6.668 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000008920900 569486798 /nfs/dbraw/zinc/48/67/98/569486798.db2.gz RDLMXSYGKOQUHY-FPTDNZKUSA-N 0 0 438.568 7.117 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c(C)c1 ZINC000008922616 569486910 /nfs/dbraw/zinc/48/69/10/569486910.db2.gz MEWMELBOMNIPEZ-HHHXNRCGSA-N 0 0 447.962 5.581 50 0 IKAARN O=C(C[C@@]1(O)c2ccccc2N(CCCc2ccccc2)C1=O)c1ccc2ccccc2c1 ZINC000008922430 569486931 /nfs/dbraw/zinc/48/69/31/569486931.db2.gz GUALZOYUSUYMMQ-GDLZYMKVSA-N 0 0 435.523 5.280 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3cc(C)ccc3C)C2=O)cc1 ZINC000008922702 569486951 /nfs/dbraw/zinc/48/69/51/569486951.db2.gz VHVADVMLPQXBTF-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN Cc1ccc(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)c1 ZINC000008923058 569486972 /nfs/dbraw/zinc/48/69/72/569486972.db2.gz PWEPCHYXMGDGST-AREMUKBSSA-N 0 0 433.935 5.007 50 0 IKAARN CCCc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000008922889 569486998 /nfs/dbraw/zinc/48/69/98/569486998.db2.gz YWLOYUQWINBZNJ-HHHXNRCGSA-N 0 0 447.962 5.608 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000008922952 569487000 /nfs/dbraw/zinc/48/70/00/569487000.db2.gz XUUDNFXLZNZJTA-CQSZACIVSA-N 0 0 437.956 5.761 50 0 IKAARN C[C@@H](C(=O)c1ccccc1)[C@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2Cl)C1=O ZINC000008923569 569487086 /nfs/dbraw/zinc/48/70/86/569487086.db2.gz UXAQLWXPNRLOML-OWJWWREXSA-N 0 0 440.326 5.247 50 0 IKAARN Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000008926075 569487236 /nfs/dbraw/zinc/48/72/36/569487236.db2.gz HUPNDBDKAZNNBE-KOEQRZSOSA-N 0 0 428.532 5.439 50 0 IKAARN C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCCOc3ccccc3)[nH]c(=O)c21 ZINC000008927602 569487306 /nfs/dbraw/zinc/48/73/06/569487306.db2.gz CAEXUQRJYCOYCC-HHHXNRCGSA-N 0 0 446.616 6.002 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4ccccc4c3)C2=O)c1 ZINC000008927829 569487357 /nfs/dbraw/zinc/48/73/57/569487357.db2.gz YODDNQLQJFUSMZ-GDLZYMKVSA-N 0 0 435.523 5.464 50 0 IKAARN COc1cc(CN(C)C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC(F)F ZINC000040098857 569487548 /nfs/dbraw/zinc/48/75/48/569487548.db2.gz JBCAOOILDIEKBF-UHFFFAOYSA-N 0 0 426.463 5.551 50 0 IKAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])cc1 ZINC000008932636 569487664 /nfs/dbraw/zinc/48/76/64/569487664.db2.gz FKVKNZVTWHAGNB-UHFFFAOYSA-N 0 0 440.971 5.236 50 0 IKAARN Cc1c(C[NH2+]CCc2c[nH]c3ccccc23)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932624 569487703 /nfs/dbraw/zinc/48/77/03/569487703.db2.gz VDEAOUIMHLCQCQ-UHFFFAOYSA-N 0 0 435.955 5.318 50 0 IKAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000008932532 569487709 /nfs/dbraw/zinc/48/77/09/569487709.db2.gz RFFXXUASPPIQTM-HNNXBMFYSA-N 0 0 428.935 5.537 50 0 IKAARN CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000008934189 569487907 /nfs/dbraw/zinc/48/79/07/569487907.db2.gz LUJLJNXUWBUNPH-JOCHJYFZSA-N 0 0 448.498 5.296 50 0 IKAARN COc1cccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)n2C)c1 ZINC000008938248 569488219 /nfs/dbraw/zinc/48/82/19/569488219.db2.gz BHDYBSGTBFWBQG-JOCHJYFZSA-N 0 0 444.560 5.271 50 0 IKAARN COc1cccc(-c2nnc(S[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)n2C)c1 ZINC000008938251 569488250 /nfs/dbraw/zinc/48/82/50/569488250.db2.gz BHDYBSGTBFWBQG-QFIPXVFZSA-N 0 0 444.560 5.271 50 0 IKAARN Cc1ccc(-c2nnc(SCc3csc(CC(=O)Nc4ccccc4C)n3)n2C)cc1 ZINC000008939119 569488293 /nfs/dbraw/zinc/48/82/93/569488293.db2.gz NHLQDCHBLBIGQV-UHFFFAOYSA-N 0 0 449.605 5.029 50 0 IKAARN CC(=O)N(c1nc(CSc2n[nH]c(-c3cccs3)n2)cs1)c1ccccc1F ZINC000008939070 569488306 /nfs/dbraw/zinc/48/83/06/569488306.db2.gz HRUJJKRZTFWOJJ-UHFFFAOYSA-N 0 0 431.543 5.106 50 0 IKAARN O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NCCc1c[nH]c2ccccc12 ZINC000008939034 569488318 /nfs/dbraw/zinc/48/83/18/569488318.db2.gz RAJGHVGFAYNCLZ-UHFFFAOYSA-N 0 0 442.009 5.472 50 0 IKAARN COCCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 ZINC000008943120 569488770 /nfs/dbraw/zinc/48/87/70/569488770.db2.gz PWSRPEIIZFMVHV-GOSISDBHSA-N 0 0 446.576 5.172 50 0 IKAARN CCCOc1c(Br)cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000008944182 569488913 /nfs/dbraw/zinc/48/89/13/569488913.db2.gz LCFNIYLOGKTILY-UHFFFAOYSA-N 0 0 426.738 5.769 50 0 IKAARN O=C(c1ccnc(Cl)c1)N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000040113264 569488978 /nfs/dbraw/zinc/48/89/78/569488978.db2.gz UJEYGKLVGNWBEG-UHFFFAOYSA-N 0 0 425.863 5.383 50 0 IKAARN O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1cc(F)ccc1Br ZINC000040122724 569489623 /nfs/dbraw/zinc/48/96/23/569489623.db2.gz WWSQDOHCLHRQMB-UHFFFAOYSA-N 0 0 448.679 5.141 50 0 IKAARN Cc1oc(-c2cccs2)nc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000040128946 569489770 /nfs/dbraw/zinc/48/97/70/569489770.db2.gz LJEWCZSMTISKOS-AWEZNQCLSA-N 0 0 425.535 5.147 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c32)C1 ZINC000008951502 569489871 /nfs/dbraw/zinc/48/98/71/569489871.db2.gz DEMPSQHHCGMRJY-ZDUSSCGKSA-N 0 0 446.041 6.053 50 0 IKAARN O=C(Oc1cc2sc(=S)oc2c(-c2ccc(Br)cc2)c1)c1ccccc1 ZINC000008951617 569489944 /nfs/dbraw/zinc/48/99/44/569489944.db2.gz UXGWELVSEZIRDZ-UHFFFAOYSA-N 0 0 443.343 6.872 50 0 IKAARN 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](C)[C@@]2(O)C1 ZINC000008952731 569490073 /nfs/dbraw/zinc/49/00/73/569490073.db2.gz MAKUVLYPLCQIEK-AVCOJGQESA-N 0 0 444.656 5.697 50 0 biogenic IKAARN CCOc1cc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)cc(OCC)c1OCC ZINC000008956139 569490216 /nfs/dbraw/zinc/49/02/16/569490216.db2.gz LUQJXTOYBYVZDF-UHFFFAOYSA-N 0 0 434.945 5.707 50 0 IKAARN CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2ccccc2Br)s1 ZINC000009251166 569515839 /nfs/dbraw/zinc/51/58/39/569515839.db2.gz ITIFFBOJGDULAK-UHFFFAOYSA-N 0 0 426.384 5.063 50 0 IKAARN CC(C)CN1c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2OCC(C)(C)C1=O ZINC000008959025 569490271 /nfs/dbraw/zinc/49/02/71/569490271.db2.gz MTCUDCIZBHXSND-UHFFFAOYSA-N 0 0 434.458 5.365 50 0 IKAARN CC(C)CN1c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2OCC(C)(C)C1=O ZINC000008959049 569490273 /nfs/dbraw/zinc/49/02/73/569490273.db2.gz HPGXHQHMYMMJGG-UHFFFAOYSA-N 0 0 434.458 5.365 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000008959255 569490314 /nfs/dbraw/zinc/49/03/14/569490314.db2.gz XBGBQCOPFKUUQM-UHFFFAOYSA-N 0 0 438.568 5.064 50 0 IKAARN CC(C)CN1c2cc(NC(=O)c3cccc(Br)c3)ccc2OCC(C)(C)C1=O ZINC000008959785 569490344 /nfs/dbraw/zinc/49/03/44/569490344.db2.gz WDIDDLMZUXMQGO-UHFFFAOYSA-N 0 0 445.357 5.109 50 0 IKAARN CC(C)CN1c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OCC(C)(C)C1=O ZINC000008959760 569490355 /nfs/dbraw/zinc/49/03/55/569490355.db2.gz YCWIKYCMAHYCSV-UHFFFAOYSA-N 0 0 434.458 5.365 50 0 IKAARN CC(C)CCN1c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000008959933 569490371 /nfs/dbraw/zinc/49/03/71/569490371.db2.gz AEDKERFWJGTRES-UHFFFAOYSA-N 0 0 444.959 5.155 50 0 IKAARN Cc1sc(=O)n(CC(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1-c1ccc(F)cc1 ZINC000040132928 569490405 /nfs/dbraw/zinc/49/04/05/569490405.db2.gz AJYUPILSOXQAHV-AWEZNQCLSA-N 0 0 444.959 5.430 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000040135083 569490603 /nfs/dbraw/zinc/49/06/03/569490603.db2.gz MJLJGELZJPPCQI-UHFFFAOYSA-N 0 0 448.954 5.363 50 0 IKAARN CCOC(=O)c1sc2ccsc2c1CN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000040139333 569490825 /nfs/dbraw/zinc/49/08/25/569490825.db2.gz QACHWMMLYDPZFD-UHFFFAOYSA-N 0 0 430.595 5.135 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1C ZINC000008961029 569490937 /nfs/dbraw/zinc/49/09/37/569490937.db2.gz JHNBLCAXMJMJBX-UHFFFAOYSA-N 0 0 436.533 5.103 50 0 IKAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc1O2 ZINC000008961301 569490983 /nfs/dbraw/zinc/49/09/83/569490983.db2.gz RITQGUHKZXTXCJ-UHFFFAOYSA-N 0 0 434.517 5.033 50 0 IKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc1O2 ZINC000008961461 569491113 /nfs/dbraw/zinc/49/11/13/569491113.db2.gz GDMNWPMQJPETFC-UHFFFAOYSA-N 0 0 436.533 5.103 50 0 IKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 ZINC000008965132 569491351 /nfs/dbraw/zinc/49/13/51/569491351.db2.gz KSLHLUHAJZHYNJ-UHFFFAOYSA-N 0 0 442.490 6.722 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(SC)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965286 569491408 /nfs/dbraw/zinc/49/14/08/569491408.db2.gz YRFDJMQAIGUNEF-JOCHJYFZSA-N 0 0 446.576 5.116 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965258 569491410 /nfs/dbraw/zinc/49/14/10/569491410.db2.gz KDSNXPKLPSFRRD-HSZRJFAPSA-N 0 0 428.536 5.011 50 0 IKAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1cc(Cl)ccc1C ZINC000008965330 569491458 /nfs/dbraw/zinc/49/14/58/569491458.db2.gz YCYVXTAZOVNIDY-UHFFFAOYSA-N 0 0 448.954 5.185 50 0 IKAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 ZINC000008965754 569491564 /nfs/dbraw/zinc/49/15/64/569491564.db2.gz IJXVPBWCCGESFG-QGZVFWFLSA-N 0 0 445.544 5.922 50 0 IKAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000008965998 569491678 /nfs/dbraw/zinc/49/16/78/569491678.db2.gz BAPUPDVGHSPLIY-NDEPHWFRSA-N 0 0 434.495 5.157 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)c2cc1C ZINC000040145435 569492061 /nfs/dbraw/zinc/49/20/61/569492061.db2.gz ZHCIFZIHXRMDID-UHFFFAOYSA-N 0 0 432.442 5.086 50 0 IKAARN Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000040145439 569492077 /nfs/dbraw/zinc/49/20/77/569492077.db2.gz JTNFYKWVHZIWMJ-UHFFFAOYSA-N 0 0 449.860 5.304 50 0 IKAARN CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000040145385 569492118 /nfs/dbraw/zinc/49/21/18/569492118.db2.gz SJEIQULZLZZYAH-UHFFFAOYSA-N 0 0 436.577 5.450 50 0 IKAARN O=C(CSc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000040145443 569492138 /nfs/dbraw/zinc/49/21/38/569492138.db2.gz AXBDFLXQADKBHO-UHFFFAOYSA-N 0 0 446.494 5.426 50 0 IKAARN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)c1 ZINC000040146614 569492303 /nfs/dbraw/zinc/49/23/03/569492303.db2.gz CFPSTSCLHIPYQZ-SANMLTNESA-N 0 0 441.575 5.339 50 0 IKAARN COc1cc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)ccc1OC(C)C ZINC000040146853 569492319 /nfs/dbraw/zinc/49/23/19/569492319.db2.gz FYLPLCMURYNNKM-UHFFFAOYSA-N 0 0 435.568 5.358 50 0 IKAARN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000040148929 569492390 /nfs/dbraw/zinc/49/23/90/569492390.db2.gz ZACGKPJNUOSFGF-UHFFFAOYSA-N 0 0 434.348 5.094 50 0 IKAARN OCC[C@@H]1CCCCN1c1ccc(CNc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000040149338 569492464 /nfs/dbraw/zinc/49/24/64/569492464.db2.gz WGSWTBNGXARIPZ-FQEVSTJZSA-N 0 0 445.592 5.107 50 0 IKAARN CCc1ccc(-c2nc(CN[C@H](C(=O)Nc3ccccc3)c3ccccc3)cs2)cc1 ZINC000040149540 569492610 /nfs/dbraw/zinc/49/26/10/569492610.db2.gz JOZFOVVGUMIXLB-DEOSSOPVSA-N 0 0 427.573 5.842 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c(F)c1F ZINC000008974801 569492970 /nfs/dbraw/zinc/49/29/70/569492970.db2.gz OZXDKHRJMIQQDC-UHFFFAOYSA-N 0 0 431.345 5.016 50 0 IKAARN COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2c(C)noc2C)cc1OC ZINC000008978065 569493061 /nfs/dbraw/zinc/49/30/61/569493061.db2.gz UPIUXRMWLSCJPD-UHFFFAOYSA-N 0 0 435.476 5.278 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000040150033 569493126 /nfs/dbraw/zinc/49/31/26/569493126.db2.gz MGXPEBWNFURLRW-GOTSBHOMSA-N 0 0 446.555 5.389 50 0 IKAARN COCc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000040150553 569493138 /nfs/dbraw/zinc/49/31/38/569493138.db2.gz APLZKHUPEAGNQD-UHFFFAOYSA-N 0 0 430.554 6.067 50 0 IKAARN O=C(Nc1cccc(-c2nccs2)c1)c1ccccc1CSc1nc2ccccc2o1 ZINC000040151074 569493262 /nfs/dbraw/zinc/49/32/62/569493262.db2.gz ZDIMNXTWUPFXIP-UHFFFAOYSA-N 0 0 443.553 6.496 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC(c2ccccc2)CC1 ZINC000040154902 569493802 /nfs/dbraw/zinc/49/38/02/569493802.db2.gz NJSWNNXHCDSTLF-UHFFFAOYSA-N 0 0 438.369 5.271 50 0 IKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3C)c12 ZINC000040155217 569493896 /nfs/dbraw/zinc/49/38/96/569493896.db2.gz RJTABTWXYCBUHP-HNNXBMFYSA-N 0 0 440.478 5.578 50 0 IKAARN NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000040155883 569493997 /nfs/dbraw/zinc/49/39/97/569493997.db2.gz KBRQQWUVHPBSBU-UHFFFAOYSA-N 0 0 428.319 5.327 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)sc2nc(C3CC3)nc(C)c12 ZINC000040155984 569494038 /nfs/dbraw/zinc/49/40/38/569494038.db2.gz MVAQENJBOYPAPR-UHFFFAOYSA-N 0 0 434.565 5.064 50 0 IKAARN Cc1noc(C2CCN([C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CC2)n1 ZINC000040156396 569494089 /nfs/dbraw/zinc/49/40/89/569494089.db2.gz GQRFPWGYSYVYKG-HXUWFJFHSA-N 0 0 445.350 5.244 50 0 IKAARN COc1cc(C)c(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)cc1OC ZINC000008981164 569494430 /nfs/dbraw/zinc/49/44/30/569494430.db2.gz PKMQLXIHYCZAFO-UHFFFAOYSA-N 0 0 445.494 5.565 50 0 IKAARN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000008982637 569494527 /nfs/dbraw/zinc/49/45/27/569494527.db2.gz IECRZIGEMRXMKZ-UHFFFAOYSA-N 0 0 438.321 5.260 50 0 IKAARN C[C@H](Nc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1)c1ccccc1 ZINC000040158546 569494610 /nfs/dbraw/zinc/49/46/10/569494610.db2.gz KDRUOAOPRILAID-INIZCTEOSA-N 0 0 438.453 5.867 50 0 IKAARN CCOc1cc(Br)c(CSc2nnc(-c3ccoc3C)o2)cc1OCC ZINC000008984284 569494684 /nfs/dbraw/zinc/49/46/84/569494684.db2.gz OQTYLKRBVIIGOY-UHFFFAOYSA-N 0 0 439.331 5.490 50 0 IKAARN O=C(COc1ccc(-c2nnco2)cc1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000040159291 569494698 /nfs/dbraw/zinc/49/46/98/569494698.db2.gz SPAXUPIYFJHKHX-UHFFFAOYSA-N 0 0 435.277 5.428 50 0 IKAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1 ZINC000008986924 569494897 /nfs/dbraw/zinc/49/48/97/569494897.db2.gz HGYWQMJKNPQTIM-UHFFFAOYSA-N 0 0 425.282 5.452 50 0 IKAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3ccc(F)cc3)ccc2c1=O ZINC000008991243 569495269 /nfs/dbraw/zinc/49/52/69/569495269.db2.gz HJULMGYWNUAEEL-UHFFFAOYSA-N 0 0 449.434 5.059 50 0 IKAARN CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)cnn32)cc1 ZINC000008994626 569495535 /nfs/dbraw/zinc/49/55/35/569495535.db2.gz UKXCKRYQNBZSHJ-UHFFFAOYSA-N 0 0 433.943 6.049 50 0 IKAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)CC2 ZINC000008994501 569495584 /nfs/dbraw/zinc/49/55/84/569495584.db2.gz JIYRBCZUNPHCQJ-AWEZNQCLSA-N 0 0 438.351 5.316 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)s1 ZINC000008997387 569495913 /nfs/dbraw/zinc/49/59/13/569495913.db2.gz UETCPJUTMOAIOM-FXAWDEMLSA-N 0 0 426.339 5.456 50 0 IKAARN COc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)c3ccccc3)c(Cl)nc2c1 ZINC000009008057 569496164 /nfs/dbraw/zinc/49/61/64/569496164.db2.gz NLJOGGDLDQOWLM-XMMPIXPASA-N 0 0 441.918 5.888 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccsc2)cc1 ZINC000244933109 569496504 /nfs/dbraw/zinc/49/65/04/569496504.db2.gz CBVHLARBEPMQLF-CTNGQTDRSA-N 0 0 441.350 5.762 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccc(Cl)cc3)c3c(c12)CCCC3 ZINC000009015848 569496748 /nfs/dbraw/zinc/49/67/48/569496748.db2.gz LUTUZTMONQNUEC-UHFFFAOYSA-N 0 0 433.964 6.330 50 0 IKAARN Clc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 ZINC000009019499 569496895 /nfs/dbraw/zinc/49/68/95/569496895.db2.gz TXLRDAOZHUHAPL-DEQUOLNYSA-N 0 0 428.963 6.938 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009019646 569496899 /nfs/dbraw/zinc/49/68/99/569496899.db2.gz AWRQZCOGPCRLAZ-UGKGYDQZSA-N 0 0 427.342 5.278 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000009019559 569496908 /nfs/dbraw/zinc/49/69/08/569496908.db2.gz ZUUFBXFDSHTACT-UHFFFAOYSA-N 0 0 447.966 6.319 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)o1 ZINC000009030045 569497008 /nfs/dbraw/zinc/49/70/08/569497008.db2.gz JKWQWOOWNBKSPP-UHFFFAOYSA-N 0 0 439.924 5.319 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 ZINC000009033197 569497123 /nfs/dbraw/zinc/49/71/23/569497123.db2.gz OMDXLDUEOJWXPD-WNCULLNHSA-N 0 0 428.532 5.677 50 0 biogenic IKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000009033119 569497131 /nfs/dbraw/zinc/49/71/31/569497131.db2.gz ILMDZPHZUORDBY-CVDCTZTESA-N 0 0 447.362 5.831 50 0 biogenic IKAARN Cc1ccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)c(C)c1 ZINC000009033799 569497132 /nfs/dbraw/zinc/49/71/32/569497132.db2.gz NEPOQNDEHSXVGG-ILBGXUMGSA-N 0 0 437.568 5.433 50 0 biogenic IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000009041353 569497592 /nfs/dbraw/zinc/49/75/92/569497592.db2.gz QCMNZZNVOOTKIY-AHKZPQOWSA-N 0 0 444.531 5.733 50 0 IKAARN COc1cccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000009043606 569497880 /nfs/dbraw/zinc/49/78/80/569497880.db2.gz VJYHOXGJQWDJRY-JYFHCDHNSA-N 0 0 446.978 6.888 50 0 IKAARN c1sc2nc(-c3ccccn3)nc(N3CCC[C@H](C4OCCO4)C3)c2c1-c1ccccc1 ZINC000069240052 569497942 /nfs/dbraw/zinc/49/79/42/569497942.db2.gz HGOFUORYSLXYMS-SFHVURJKSA-N 0 0 444.560 5.010 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000009044390 569498018 /nfs/dbraw/zinc/49/80/18/569498018.db2.gz WENAUEXWDPYYJE-WMZHIEFXSA-N 0 0 447.362 5.831 50 0 IKAARN CN(CC(=O)Nc1ncc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)cc1Cl ZINC000009051155 569498680 /nfs/dbraw/zinc/49/86/80/569498680.db2.gz UUYXRUSBTDFOLC-UHFFFAOYSA-N 0 0 426.653 5.131 50 0 IKAARN CN(CC(=O)Nc1ncc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000009051161 569498681 /nfs/dbraw/zinc/49/86/81/569498681.db2.gz LXDKIWNUSMRYNI-UHFFFAOYSA-N 0 0 426.653 5.131 50 0 IKAARN Cc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000040301079 569498688 /nfs/dbraw/zinc/49/86/88/569498688.db2.gz CTRQONFSXHALOM-UHFFFAOYSA-N 0 0 440.330 5.869 50 0 IKAARN COc1ccc(-c2csc(N3N=C(C)C[C@@H]3c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000009052701 569498772 /nfs/dbraw/zinc/49/87/72/569498772.db2.gz YPMOWABWTAXRJY-GOSISDBHSA-N 0 0 439.537 5.172 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c(C)n1Cc1ccccc1 ZINC000009054028 569498870 /nfs/dbraw/zinc/49/88/70/569498870.db2.gz LJRDDWFHGQBFNF-UHFFFAOYSA-N 0 0 434.540 5.063 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000009054312 569498902 /nfs/dbraw/zinc/49/89/02/569498902.db2.gz QZINUEPRGFBGKC-XUZZJYLKSA-N 0 0 435.568 5.083 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000009054309 569498935 /nfs/dbraw/zinc/49/89/35/569498935.db2.gz QZINUEPRGFBGKC-ZJSXRUAMSA-N 0 0 435.568 5.083 50 0 IKAARN CCN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)C1=CCCCC1 ZINC000009056161 569498972 /nfs/dbraw/zinc/49/89/72/569498972.db2.gz XAJVWVCOMQSZAH-UHFFFAOYSA-N 0 0 447.004 5.244 50 0 IKAARN CC[C@@H](c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C ZINC000009056363 569499021 /nfs/dbraw/zinc/49/90/21/569499021.db2.gz OYNSRXLWKZWCDD-JPYJTQIMSA-N 0 0 448.636 5.191 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)C(c1ccccc1)c1ccccc1 ZINC000009056682 569499101 /nfs/dbraw/zinc/49/91/01/569499101.db2.gz SVJAXIXVXVKXIK-UHFFFAOYSA-N 0 0 439.540 5.465 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)cc1Cl ZINC000009056751 569499108 /nfs/dbraw/zinc/49/91/08/569499108.db2.gz OWAQBYXPSICMCH-IBGZPJMESA-N 0 0 438.940 5.509 50 0 IKAARN C[C@@H](NC(=O)CSc1nncn1-c1ccccc1F)c1ccc(-c2ccccc2)cc1 ZINC000009056822 569499154 /nfs/dbraw/zinc/49/91/54/569499154.db2.gz UOLXJNIVUMHQEU-QGZVFWFLSA-N 0 0 432.524 5.043 50 0 IKAARN C[C@@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2n1Cc1ccccc1 ZINC000009057716 569499226 /nfs/dbraw/zinc/49/92/26/569499226.db2.gz AERIEVYZMIEUNL-MRXNPFEDSA-N 0 0 434.337 5.338 50 0 IKAARN C[C@@H]1CC[C@@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)C1 ZINC000009059409 569499333 /nfs/dbraw/zinc/49/93/33/569499333.db2.gz NFBZLNYJLUCADR-ZIAGYGMSSA-N 0 0 435.515 5.000 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H]2CCCC[C@H]12 ZINC000009059392 569499340 /nfs/dbraw/zinc/49/93/40/569499340.db2.gz QANJKHRCIWLGFM-WLJLVMMNSA-N 0 0 446.517 5.584 50 0 IKAARN C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 ZINC000009065072 569499620 /nfs/dbraw/zinc/49/96/20/569499620.db2.gz BRJYPIDJYMMUIM-UKTHLTGXSA-N 0 0 449.066 6.250 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000009066245 569499877 /nfs/dbraw/zinc/49/98/77/569499877.db2.gz YLDPJMZMPKQVDV-BWKNWUBXSA-N 0 0 446.865 5.828 50 0 IKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1Br ZINC000009066886 569499937 /nfs/dbraw/zinc/49/99/37/569499937.db2.gz RIRJKPMGGJWBPW-LNVKXUELSA-N 0 0 441.350 5.861 50 0 IKAARN CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c21 ZINC000009068259 569500031 /nfs/dbraw/zinc/50/00/31/569500031.db2.gz RMFGPHBUBGSFSQ-ZZIIXHQDSA-N 0 0 429.585 7.378 50 0 biogenic IKAARN COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1Cl ZINC000009075962 569500211 /nfs/dbraw/zinc/50/02/11/569500211.db2.gz WCLXQFWCNLIOOQ-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F ZINC000009086152 569500591 /nfs/dbraw/zinc/50/05/91/569500591.db2.gz DPRJHEKEVFEADQ-JOCHJYFZSA-N 0 0 433.552 5.448 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccs2)cc1 ZINC000009087160 569500811 /nfs/dbraw/zinc/50/08/11/569500811.db2.gz NZRVWGOAZMGHHN-IBGZPJMESA-N 0 0 441.350 5.511 50 0 IKAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000040383131 569500820 /nfs/dbraw/zinc/50/08/20/569500820.db2.gz LPZVAHUBCZQFOK-NRFANRHFSA-N 0 0 433.895 5.112 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccsc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000009089136 569500931 /nfs/dbraw/zinc/50/09/31/569500931.db2.gz COHPOYDSHRYTHU-KSFYIVLOSA-N 0 0 431.517 5.577 50 0 IKAARN O=C(c1ccco1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000040388838 569500993 /nfs/dbraw/zinc/50/09/93/569500993.db2.gz FDMKPDANHALDBS-INIZCTEOSA-N 0 0 447.293 5.561 50 0 IKAARN C/C=C\Cn1c(-c2c(C)oc3ccccc32)csc1=NS(=O)(=O)c1cccs1 ZINC000245241848 569501194 /nfs/dbraw/zinc/50/11/94/569501194.db2.gz RBAXEYGMYQYUME-XWQBDTFCSA-N 0 0 430.576 5.198 50 0 IKAARN CC(C)Cn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccc(Cl)cc2c1=O ZINC000009091496 569501243 /nfs/dbraw/zinc/50/12/43/569501243.db2.gz WUOIOSFZYSZSQG-JKSUJKDBSA-N 0 0 444.000 5.064 50 0 IKAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000009095304 569501313 /nfs/dbraw/zinc/50/13/13/569501313.db2.gz MJJSJQHQHGQPFI-UHFFFAOYSA-N 0 0 427.504 5.003 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3)C3CCCCC3)n2)cc1OC ZINC000009095298 569501325 /nfs/dbraw/zinc/50/13/25/569501325.db2.gz SKSNXELAEGVQRI-UHFFFAOYSA-N 0 0 435.524 5.037 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Cl)cc1 ZINC000009095197 569501331 /nfs/dbraw/zinc/50/13/31/569501331.db2.gz GEHUVNRFVIJIAY-VWLOTQADSA-N 0 0 443.934 5.704 50 0 IKAARN O=C(Nc1ccccc1F)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 ZINC000009101165 569501730 /nfs/dbraw/zinc/50/17/30/569501730.db2.gz FFRUBXMXSQWLQB-UHFFFAOYSA-N 0 0 437.421 5.180 50 0 IKAARN C[C@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000009101193 569501734 /nfs/dbraw/zinc/50/17/34/569501734.db2.gz RSQZQCNZWOSAJF-CQSZACIVSA-N 0 0 437.396 5.368 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000069351531 569501832 /nfs/dbraw/zinc/50/18/32/569501832.db2.gz XYJXKXJWAADCFR-QVKFZJNVSA-N 0 0 448.394 5.377 50 0 IKAARN Fc1ccccc1-c1nc(N=NCc2ccc3nccnc3c2)nc2ccc(Cl)cc21 ZINC000245266533 569501840 /nfs/dbraw/zinc/50/18/40/569501840.db2.gz JWWNPSMTYBYVQC-UHFFFAOYSA-N 0 0 428.858 5.479 50 0 IKAARN CN(C)c1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000245267802 569501894 /nfs/dbraw/zinc/50/18/94/569501894.db2.gz MJYUORITSOBHLS-UHFFFAOYSA-N 0 0 446.352 5.571 50 0 IKAARN O=C(Nc1ccccc1F)c1oc2cccnc2c1NC(=O)c1cc(Cl)ccc1Cl ZINC000009108127 569501919 /nfs/dbraw/zinc/50/19/19/569501919.db2.gz BEBYUPGCBGQMQG-UHFFFAOYSA-N 0 0 444.249 5.778 50 0 IKAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000009109529 569501964 /nfs/dbraw/zinc/50/19/64/569501964.db2.gz AVSLGQISYQWJDW-UHFFFAOYSA-N 0 0 436.540 5.517 50 0 IKAARN COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@H](C)[C@H]32)ccc1OCc1c(C)noc1C ZINC000245284653 569502231 /nfs/dbraw/zinc/50/22/31/569502231.db2.gz SWKLBDWPNPBGNR-RNVMLOFYSA-N 0 0 438.568 5.319 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)N1CCCC1 ZINC000009111709 569502327 /nfs/dbraw/zinc/50/23/27/569502327.db2.gz RKZNVTJMQFCHRH-HNNXBMFYSA-N 0 0 426.567 5.177 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 ZINC000009111663 569502337 /nfs/dbraw/zinc/50/23/37/569502337.db2.gz CZAJGOCBWAEFTN-CYBMUJFWSA-N 0 0 448.951 5.495 50 0 IKAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nncn2-c2ccccc2F)c1 ZINC000009111652 569502350 /nfs/dbraw/zinc/50/23/50/569502350.db2.gz RTYXJXZTABVJSJ-UHFFFAOYSA-N 0 0 432.524 5.040 50 0 IKAARN O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000009112183 569502388 /nfs/dbraw/zinc/50/23/88/569502388.db2.gz ADQXTACWYYOKDE-UHFFFAOYSA-N 0 0 426.541 5.698 50 0 IKAARN CCn1c2ccccc2c2cc(N[C@H]3c4ccccc4C(=O)N3CCc3ccccc3)ccc21 ZINC000009113059 569502531 /nfs/dbraw/zinc/50/25/31/569502531.db2.gz DJAXGAFGDQQFLN-GDLZYMKVSA-N 0 0 445.566 6.624 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccc(F)cc1)c(C(=O)[O-])c2C[NH2+]Cc1cccc(Cl)c1 ZINC000009114844 569502646 /nfs/dbraw/zinc/50/26/46/569502646.db2.gz YCOHAOOBSVRKFK-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccc(F)cc1)c(C(=O)[O-])c2C[NH2+]Cc1ccc(Cl)cc1 ZINC000009114846 569502663 /nfs/dbraw/zinc/50/26/63/569502663.db2.gz IOEGVYBCUKRQSY-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3ccccc3Cl)c2C(=O)[O-])cc1 ZINC000009114833 569502665 /nfs/dbraw/zinc/50/26/65/569502665.db2.gz KHQABSZCQYKDAT-UHFFFAOYSA-N 0 0 446.978 5.990 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)[C@H]1C ZINC000245310760 569502667 /nfs/dbraw/zinc/50/26/67/569502667.db2.gz KMHVMSBBZCFWKU-ALVKRRLBSA-N 0 0 438.568 5.490 50 0 IKAARN O=C(c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000009115407 569502745 /nfs/dbraw/zinc/50/27/45/569502745.db2.gz SEDUHYRTKGTNCN-PMERELPUSA-N 0 0 441.980 5.336 50 0 IKAARN O=C(c1ccc(C[S@@](=O)c2ccccc2Cl)o1)N1CCC(Cc2ccccc2)CC1 ZINC000009115518 569502746 /nfs/dbraw/zinc/50/27/46/569502746.db2.gz HAIZWIQWQANUDH-PMERELPUSA-N 0 0 441.980 5.336 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000009116044 569502904 /nfs/dbraw/zinc/50/29/04/569502904.db2.gz DEZCOPPAGKAKPY-OAQYLSRUSA-N 0 0 445.006 6.413 50 0 IKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)N[C@@H]3CCCc4ccccc43)c3ccccc32)c1 ZINC000009116133 569502943 /nfs/dbraw/zinc/50/29/43/569502943.db2.gz ZRHZIRMGCSYOAT-MUUNZHRXSA-N 0 0 436.599 6.433 50 0 IKAARN Cc1ccccc1-c1nc2c(c(SCc3ccncc3)n1)Cc1c(CO)cnc(C)c1O2 ZINC000009116423 569502947 /nfs/dbraw/zinc/50/29/47/569502947.db2.gz OXFSKISPOIGWMC-UHFFFAOYSA-N 0 0 442.544 5.032 50 0 IKAARN Cc1ncc(CO)c2c1Oc1nc(-c3ccc(Cl)cc3)nc(SCCC(C)C)c1C2 ZINC000009116330 569502954 /nfs/dbraw/zinc/50/29/54/569502954.db2.gz YQYWGKSVGXBBRA-UHFFFAOYSA-N 0 0 441.984 5.827 50 0 IKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)NCc3cccc(Cl)c3)c3ccccc32)c1 ZINC000009116128 569502959 /nfs/dbraw/zinc/50/29/59/569502959.db2.gz LBQSNTYUJIIIEH-UHFFFAOYSA-N 0 0 430.979 6.209 50 0 IKAARN Cc1cccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)c1 ZINC000009116387 569502965 /nfs/dbraw/zinc/50/29/65/569502965.db2.gz CJTRHHGZVLYJAV-UHFFFAOYSA-N 0 0 441.556 5.637 50 0 IKAARN COc1cccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)c1 ZINC000009116618 569502969 /nfs/dbraw/zinc/50/29/69/569502969.db2.gz SDIYLZWGPUJDJM-UHFFFAOYSA-N 0 0 448.573 5.315 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NCCc2ccccc2)nn1 ZINC000009116628 569502975 /nfs/dbraw/zinc/50/29/75/569502975.db2.gz UQDVOEXZJUATQB-UHFFFAOYSA-N 0 0 446.601 5.027 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2cc(C)cc(C)c2)nn1 ZINC000009116615 569502991 /nfs/dbraw/zinc/50/29/91/569502991.db2.gz JTERHSTVWUBWIR-UHFFFAOYSA-N 0 0 446.601 5.923 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2ccccc2C)nn1 ZINC000009116612 569503017 /nfs/dbraw/zinc/50/30/17/569503017.db2.gz QNZHTHWRLKVVDH-UHFFFAOYSA-N 0 0 432.574 5.615 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1C ZINC000009117244 569503102 /nfs/dbraw/zinc/50/31/02/569503102.db2.gz OYBPSPHFRQISIQ-UHFFFAOYSA-N 0 0 449.555 5.069 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5cccc(C)c5C)CC4)sc3n2)cc1 ZINC000009117283 569503118 /nfs/dbraw/zinc/50/31/18/569503118.db2.gz LGKFRJCXLSUQQM-UHFFFAOYSA-N 0 0 445.592 5.238 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccc(F)cc5C)CC4)sc3n2)cc1 ZINC000009117314 569503136 /nfs/dbraw/zinc/50/31/36/569503136.db2.gz NXDXIOJMWIZDGM-UHFFFAOYSA-N 0 0 449.555 5.069 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(Cc3ccccn3)C3CC3)cc12 ZINC000009117991 569503201 /nfs/dbraw/zinc/50/32/01/569503201.db2.gz RNVQWQNYPMCVNH-UHFFFAOYSA-N 0 0 436.968 5.308 50 0 IKAARN Cc1nc(Cl)c(N)c(Oc2cc(-c3ccc(F)cc3)nn2-c2ccccc2Cl)n1 ZINC000040428130 569503205 /nfs/dbraw/zinc/50/32/05/569503205.db2.gz QXPHXGLPHRTVCR-UHFFFAOYSA-N 0 0 430.270 5.458 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)c(C)c1 ZINC000009118315 569503277 /nfs/dbraw/zinc/50/32/77/569503277.db2.gz CBTCMDOTRVXIGP-UHFFFAOYSA-N 0 0 449.620 5.310 50 0 IKAARN CCc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 ZINC000009118414 569503342 /nfs/dbraw/zinc/50/33/42/569503342.db2.gz SQFHAVLWMPOLJT-UHFFFAOYSA-N 0 0 449.620 5.337 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NCc1cccs1 ZINC000009119463 569503524 /nfs/dbraw/zinc/50/35/24/569503524.db2.gz IDVBCBSUGINCHQ-UHFFFAOYSA-N 0 0 433.002 5.184 50 0 IKAARN C[C@@H](CC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@H]1C)CC(C)(C)C ZINC000245327561 569503750 /nfs/dbraw/zinc/50/37/50/569503750.db2.gz KNRJAHFUWFTQIV-ZWKOTPCHSA-N 0 0 445.007 5.422 50 0 IKAARN CCOc1ccc(-c2nnc(NC(=O)c3ccccc3OCc3ccc(F)cc3)o2)cc1 ZINC000009120222 569503791 /nfs/dbraw/zinc/50/37/91/569503791.db2.gz QRWYJNZJEHWDFH-UHFFFAOYSA-N 0 0 433.439 5.106 50 0 IKAARN O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl ZINC000009120807 569503998 /nfs/dbraw/zinc/50/39/98/569503998.db2.gz WHNZSOWQLSEMTI-UHFFFAOYSA-N 0 0 432.282 5.435 50 0 IKAARN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1[nH]c2ccc(F)cc2c1Cl ZINC000069382212 569504083 /nfs/dbraw/zinc/50/40/83/569504083.db2.gz SZDGGEGWIMQTRN-UHFFFAOYSA-N 0 0 441.812 5.068 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccccc2)C[C@@H]1c1ccccc1F ZINC000069383065 569504146 /nfs/dbraw/zinc/50/41/46/569504146.db2.gz HLOOAXQRZCIUQS-HSZRJFAPSA-N 0 0 425.463 5.032 50 0 IKAARN COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1OC ZINC000009122228 569504152 /nfs/dbraw/zinc/50/41/52/569504152.db2.gz CWZAPYNKHJULQN-CQLKWFSRSA-N 0 0 426.516 5.403 50 0 IKAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CC)cc2c1 ZINC000069382998 569504166 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/nfs/dbraw/zinc/50/56/70/569505670.db2.gz MKMHNYNKHRAQNS-UHFFFAOYSA-N 0 0 448.450 5.469 50 0 IKAARN COc1ccc(-c2c(C(F)(F)F)noc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000009129150 569505675 /nfs/dbraw/zinc/50/56/75/569505675.db2.gz ZDWMEVMSXHFEAB-UHFFFAOYSA-N 0 0 441.405 6.321 50 0 IKAARN O=C1OC(c2ccco2)=N/C1=C1/C=C(c2cccs2)Oc2ccc(Br)cc21 ZINC000009129681 569505808 /nfs/dbraw/zinc/50/58/08/569505808.db2.gz BFCNZXMPXYBZJA-AQTBWJFISA-N 0 0 440.274 5.252 50 0 IKAARN O=C(NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(-c2ccccc2)cc1 ZINC000009129842 569505842 /nfs/dbraw/zinc/50/58/42/569505842.db2.gz RHNFSSHNCVZNBR-UHFFFAOYSA-N 0 0 444.844 5.041 50 0 IKAARN COc1cc(-c2c(NC(=O)c3ccccc3)oc3c(C)cccc3c2=O)cc(OC)c1OC ZINC000009129754 569505854 /nfs/dbraw/zinc/50/58/54/569505854.db2.gz BNSRLYKLFJUOBI-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)c1 ZINC000009129748 569505881 /nfs/dbraw/zinc/50/58/81/569505881.db2.gz WGQLILHAFXRICC-UHFFFAOYSA-N 0 0 436.895 6.124 50 0 IKAARN COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(Br)cc32)cc1 ZINC000009130096 569505910 /nfs/dbraw/zinc/50/59/10/569505910.db2.gz MXKBJDMNDMVLSW-NJNXFGOHSA-N 0 0 436.305 6.112 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccccc2)cc1 ZINC000009130208 569506009 /nfs/dbraw/zinc/50/60/09/569506009.db2.gz PVZCLABLYJNPSD-UNMCSNQZSA-N 0 0 429.734 6.889 50 0 IKAARN CC1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(Cl)cc2)CC1 ZINC000009130473 569506055 /nfs/dbraw/zinc/50/60/55/569506055.db2.gz AUISXRTTWHCFSB-UHFFFAOYSA-N 0 0 445.346 5.437 50 0 IKAARN COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)c1 ZINC000009130593 569506076 /nfs/dbraw/zinc/50/60/76/569506076.db2.gz QVUVNNOTTRDFNL-UHFFFAOYSA-N 0 0 440.858 5.955 50 0 IKAARN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1cccs1 ZINC000009130613 569506090 /nfs/dbraw/zinc/50/60/90/569506090.db2.gz GERJXTVPUVOFCK-SDNWHVSQSA-N 0 0 444.512 5.921 50 0 IKAARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)c2ccc(Cl)cc2)c1-c1nc2ccccc2[nH]1 ZINC000009130661 569506139 /nfs/dbraw/zinc/50/61/39/569506139.db2.gz AKCQLZOOBHWJGU-LJQANCHMSA-N 0 0 448.954 5.733 50 0 IKAARN O=C1NCCCC[C@H]1Oc1ccc(Oc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000069419703 569506192 /nfs/dbraw/zinc/50/61/92/569506192.db2.gz NLGCGNDJQHXFOK-HXUWFJFHSA-N 0 0 431.517 5.198 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000040451080 569506420 /nfs/dbraw/zinc/50/64/20/569506420.db2.gz BAFALIQCFFWEIM-AREMUKBSSA-N 0 0 430.573 5.430 50 0 IKAARN CCOc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000040451097 569506428 /nfs/dbraw/zinc/50/64/28/569506428.db2.gz VWFLOZNASGOBCL-AREMUKBSSA-N 0 0 446.572 5.211 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000040451100 569506439 /nfs/dbraw/zinc/50/64/39/569506439.db2.gz HNUGXDUKCAJZSM-HHHXNRCGSA-N 0 0 444.600 5.738 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc(-c4ccc(Oc5ccc(F)cc5)cc4)no3)CC2=O)cc1 ZINC000040454684 569506479 /nfs/dbraw/zinc/50/64/79/569506479.db2.gz VBGCXRYFEPSFFM-KRWDZBQOSA-N 0 0 445.450 5.197 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)N[C@@H](c2cccs2)c2ccccc2)cs1 ZINC000069442419 569506575 /nfs/dbraw/zinc/50/65/75/569506575.db2.gz WBOAPOOKBBZRDH-HSZRJFAPSA-N 0 0 434.586 5.719 50 0 IKAARN O=c1cc(-c2ccc(F)cc2)nc2n(Cc3cccc(C(F)(F)F)c3)c3ccccc3n21 ZINC000040484786 569506771 /nfs/dbraw/zinc/50/67/71/569506771.db2.gz GTUOEBLKTFMPIR-UHFFFAOYSA-N 0 0 437.396 5.522 50 0 IKAARN Cc1cc(C)c(Cn2c3ccccc3n3c2nc(-c2ccc(Cl)cc2)cc3=O)c(C)c1 ZINC000040484659 569506796 /nfs/dbraw/zinc/50/67/96/569506796.db2.gz USBIHLPKICFKGV-UHFFFAOYSA-N 0 0 427.935 5.943 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040485447 569506823 /nfs/dbraw/zinc/50/68/23/569506823.db2.gz UERNHDFQGRNFGA-QHCPKHFHSA-N 0 0 435.907 5.410 50 0 IKAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4c(F)cccc4Cl)c3n2)cc1 ZINC000040485151 569506825 /nfs/dbraw/zinc/50/68/25/569506825.db2.gz MXAAFNXRGCQWMX-UHFFFAOYSA-N 0 0 433.870 5.166 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000040485302 569506826 /nfs/dbraw/zinc/50/68/26/569506826.db2.gz YRIHCGMKLKBWAC-QFIPXVFZSA-N 0 0 434.333 5.810 50 0 IKAARN O=C1C(=O)N(CCc2ccccc2)[C@@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000040485599 569506833 /nfs/dbraw/zinc/50/68/33/569506833.db2.gz MAEXSZMADDJJRE-QFIPXVFZSA-N 0 0 434.333 5.544 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000040485578 569506834 /nfs/dbraw/zinc/50/68/34/569506834.db2.gz PYIPZGKWVDJQPF-AREMUKBSSA-N 0 0 427.544 5.914 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000040485569 569506843 /nfs/dbraw/zinc/50/68/43/569506843.db2.gz FGGWMTUXTFJXND-QHCPKHFHSA-N 0 0 448.360 5.853 50 0 IKAARN O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccccc2Br)C1c1ccccc1 ZINC000040485587 569506847 /nfs/dbraw/zinc/50/68/47/569506847.db2.gz LRSXACCVRAEELU-QFIPXVFZSA-N 0 0 434.333 5.544 50 0 IKAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4c(F)cccc4Cl)c3n2)c1 ZINC000040485154 569506855 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CC[C@H](C(=O)Nc1ccccc1C)n1c(SCc2ccc(C)cc2)nc2cccnc21 ZINC000009151429 569507508 /nfs/dbraw/zinc/50/75/08/569507508.db2.gz GCDUUTNZOPVMSS-JOCHJYFZSA-N 0 0 430.577 5.930 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000009151397 569507519 /nfs/dbraw/zinc/50/75/19/569507519.db2.gz NYYHMCNMMLTKTE-FQEVSTJZSA-N 0 0 438.503 5.592 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1c(SCc2ccc(C)cc2)nc2cccnc21 ZINC000009151418 569507529 /nfs/dbraw/zinc/50/75/29/569507529.db2.gz DVLSFIXCMCHOMB-NRFANRHFSA-N 0 0 446.576 5.630 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000009151387 569507537 /nfs/dbraw/zinc/50/75/37/569507537.db2.gz LAGDPXZYGYYDKO-QFIPXVFZSA-N 0 0 448.567 5.439 50 0 IKAARN O=C([O-])c1c(C[NH2+]Cc2ccccc2F)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009152406 569507834 /nfs/dbraw/zinc/50/78/34/569507834.db2.gz BWLZJHCZONOCHT-UHFFFAOYSA-N 0 0 440.877 5.609 50 0 IKAARN CCOc1ccc(CNc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc1OC ZINC000009152900 569507905 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CCCCSc1nc2sc3c(c2c(NCc2ccccn2)n1)C[C@@](C)(CC)OC3 ZINC000009193214 569510833 /nfs/dbraw/zinc/51/08/33/569510833.db2.gz PPXDWHDJBPMGIL-JOCHJYFZSA-N 0 0 428.627 5.832 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009193120 569510854 /nfs/dbraw/zinc/51/08/54/569510854.db2.gz NOHVQQPZOWPHEA-QHCPKHFHSA-N 0 0 426.472 5.035 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2c(c1)CCCC2 ZINC000009193356 569510869 /nfs/dbraw/zinc/51/08/69/569510869.db2.gz OJSLBPGJTRTULS-UHFFFAOYSA-N 0 0 426.973 5.228 50 0 IKAARN O=C(CSc1nccn1Cc1ccccc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009199645 569511117 /nfs/dbraw/zinc/51/11/17/569511117.db2.gz DIFBNTVSIDKOEL-QFIPXVFZSA-N 0 0 437.565 5.130 50 0 IKAARN Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)cc1 ZINC000009198937 569511125 /nfs/dbraw/zinc/51/11/25/569511125.db2.gz LLFFSNKBMRAFGA-UHFFFAOYSA-N 0 0 445.559 6.011 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000009200803 569511161 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7.120 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000009211936 569511944 /nfs/dbraw/zinc/51/19/44/569511944.db2.gz NWMOYQKCGMZLLN-WZONZLPQSA-N 0 0 434.605 6.559 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000009211982 569511947 /nfs/dbraw/zinc/51/19/47/569511947.db2.gz XDGYSEUFUHPCCO-UHFFFAOYSA-N 0 0 444.556 5.881 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)nc1CSc1ccccc1 ZINC000009211988 569511957 /nfs/dbraw/zinc/51/19/57/569511957.db2.gz PKIMQBQQIVZOPD-IUKKYPGJSA-N 0 0 434.605 6.497 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)C3=O ZINC000009215661 569511973 /nfs/dbraw/zinc/51/19/73/569511973.db2.gz BXSSWESYNWFMBY-XOBRGWDASA-N 0 0 444.314 5.132 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000009212031 569511980 /nfs/dbraw/zinc/51/19/80/569511980.db2.gz OHYIDVXMFAACDD-CVCYQNGTSA-N 0 0 444.556 5.449 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(CCCOC(C)C)C3=O ZINC000009215592 569512009 /nfs/dbraw/zinc/51/20/09/569512009.db2.gz FTWQCBFWKVOJRB-QFIPXVFZSA-N 0 0 439.939 5.424 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1nncs1)C3=O ZINC000009215822 569512046 /nfs/dbraw/zinc/51/20/46/569512046.db2.gz RAACMUREZLCYPU-IBGZPJMESA-N 0 0 431.517 5.000 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000009216092 569512098 /nfs/dbraw/zinc/51/20/98/569512098.db2.gz QLYJDPXFWFSPMG-AHKZPQOWSA-N 0 0 446.978 7.104 50 0 IKAARN COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(Cl)c2)c1 ZINC000009216216 569512140 /nfs/dbraw/zinc/51/21/40/569512140.db2.gz YYPWKRGXSBTUSO-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009216774 569512181 /nfs/dbraw/zinc/51/21/81/569512181.db2.gz BIIFYFHAIRBDPX-IBGZPJMESA-N 0 0 431.966 5.412 50 0 IKAARN O=C(CCCSc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009216828 569512204 /nfs/dbraw/zinc/51/22/04/569512204.db2.gz UUUJWCFMRNQSIB-KRWDZBQOSA-N 0 0 439.631 6.142 50 0 IKAARN O=C(c1cc2ccccc2o1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000009217085 569512272 /nfs/dbraw/zinc/51/22/72/569512272.db2.gz JPFXXLYJNGIQGG-UHFFFAOYSA-N 0 0 438.281 5.050 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000009218994 569512434 /nfs/dbraw/zinc/51/24/34/569512434.db2.gz FXEBUJVHEJBLGY-UHFFFAOYSA-N 0 0 431.608 5.187 50 0 IKAARN Cc1c(Cl)cccc1-n1c(SCc2c[nH]c3ccccc23)nnc1-c1ccncc1 ZINC000009222101 569512663 /nfs/dbraw/zinc/51/26/63/569512663.db2.gz AQLZPHXIVBIEAV-UHFFFAOYSA-N 0 0 431.952 6.065 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000009222151 569512686 /nfs/dbraw/zinc/51/26/86/569512686.db2.gz FADZCWZPGVPARO-OAQYLSRUSA-N 0 0 433.508 5.068 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1ccc(F)cc1 ZINC000009222092 569512701 /nfs/dbraw/zinc/51/27/01/569512701.db2.gz UYBBLEZMCXHETI-UHFFFAOYSA-N 0 0 439.487 5.456 50 0 IKAARN CCC(=O)N(c1nnc(SCc2cc3ccc(C)c(C)c3nc2Cl)s1)C1CC1 ZINC000009222411 569512741 /nfs/dbraw/zinc/51/27/41/569512741.db2.gz JLELGLUXAAMJMH-UHFFFAOYSA-N 0 0 433.002 5.554 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)o1 ZINC000009222853 569512850 /nfs/dbraw/zinc/51/28/50/569512850.db2.gz IXTOAMMTVIKGLW-UHFFFAOYSA-N 0 0 445.544 5.379 50 0 IKAARN COc1ccc([C@@H](NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c2ccccc2)cc1 ZINC000009223398 569512947 /nfs/dbraw/zinc/51/29/47/569512947.db2.gz FSSVRIYIMINXPU-VWLOTQADSA-N 0 0 440.499 5.368 50 0 IKAARN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000009224127 569513115 /nfs/dbraw/zinc/51/31/15/569513115.db2.gz XWNDHKQUFLATHV-UHFFFAOYSA-N 0 0 444.560 5.099 50 0 IKAARN O=C(Nc1ccc2ccccc2c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000009225824 569513208 /nfs/dbraw/zinc/51/32/08/569513208.db2.gz DTFWLIGJHJAGTO-VWLOTQADSA-N 0 0 428.513 5.459 50 0 IKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)n2)cc1 ZINC000009226531 569513287 /nfs/dbraw/zinc/51/32/87/569513287.db2.gz APUKZXSNVSCIGU-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000009226637 569513290 /nfs/dbraw/zinc/51/32/90/569513290.db2.gz PCASTAZZZPDFJY-UHFFFAOYSA-N 0 0 428.576 7.163 50 0 IKAARN CCCN(C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000009227533 569513487 /nfs/dbraw/zinc/51/34/87/569513487.db2.gz KHSIWBMBUHSARM-UHFFFAOYSA-N 0 0 446.378 6.413 50 0 IKAARN Cc1ccc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)c(Br)c1 ZINC000009227520 569513489 /nfs/dbraw/zinc/51/34/89/569513489.db2.gz VFWHPONGORZRSK-UHFFFAOYSA-N 0 0 428.330 5.372 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NCc2ccc(C)cc2)c2c(n[nH]c2-c2ccccc2)n1 ZINC000009228157 569513539 /nfs/dbraw/zinc/51/35/39/569513539.db2.gz HZFUIHYUYIFPNE-UHFFFAOYSA-N 0 0 448.526 5.539 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000009228193 569513565 /nfs/dbraw/zinc/51/35/65/569513565.db2.gz HHKPFJFLDMIYKN-UHFFFAOYSA-N 0 0 448.954 5.874 50 0 IKAARN COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc4nccnc4c3)C2)c1 ZINC000069701139 569513694 /nfs/dbraw/zinc/51/36/94/569513694.db2.gz JPKSZFZZASZSSN-DEOSSOPVSA-N 0 0 442.906 5.283 50 0 IKAARN Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)s1 ZINC000009229212 569513696 /nfs/dbraw/zinc/51/36/96/569513696.db2.gz LJHFNOSYPHXNHX-UHFFFAOYSA-N 0 0 449.620 5.111 50 0 IKAARN Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000009229211 569513699 /nfs/dbraw/zinc/51/36/99/569513699.db2.gz CFAGBKIWSQINGV-UHFFFAOYSA-N 0 0 449.620 5.255 50 0 IKAARN CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000009232687 569513783 /nfs/dbraw/zinc/51/37/83/569513783.db2.gz GYSGCFDYIOLNSE-VWLOTQADSA-N 0 0 439.946 6.561 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1F ZINC000009233024 569513850 /nfs/dbraw/zinc/51/38/50/569513850.db2.gz XAAACXIIZAPONT-FXAWDEMLSA-N 0 0 431.236 5.563 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)cc1 ZINC000009234265 569513903 /nfs/dbraw/zinc/51/39/03/569513903.db2.gz DZSYBWLZCNYYNT-JCVMYPOKSA-N 0 0 425.370 6.207 50 0 IKAARN CCOC(=O)c1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000009237216 569514199 /nfs/dbraw/zinc/51/41/99/569514199.db2.gz VRNJKSSNWIHKKW-LFVJCYFKSA-N 0 0 440.499 5.120 50 0 IKAARN COc1ccc2nc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000009241548 569514667 /nfs/dbraw/zinc/51/46/67/569514667.db2.gz IIKBVKZEEGOBQA-UHFFFAOYSA-N 0 0 432.530 5.157 50 0 IKAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O ZINC000009243000 569514776 /nfs/dbraw/zinc/51/47/76/569514776.db2.gz BWFKPPYLXQONTJ-JOCHJYFZSA-N 0 0 445.902 5.514 50 0 IKAARN COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)cc1 ZINC000009243544 569514908 /nfs/dbraw/zinc/51/49/08/569514908.db2.gz GUVURPBAGPBMPU-UHFFFAOYSA-N 0 0 434.423 5.079 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3oc4c(cccc4Cl)c3C)n2)c(OC)c1 ZINC000009244475 569515032 /nfs/dbraw/zinc/51/50/32/569515032.db2.gz HFPVIKZTCYGKRO-UHFFFAOYSA-N 0 0 428.897 5.788 50 0 IKAARN O[C@H](COc1ccccc1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000009244803 569515134 /nfs/dbraw/zinc/51/51/34/569515134.db2.gz XBHJIMQNBYEHJC-FIPFOOKPSA-N 0 0 444.619 5.822 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009245764 569515400 /nfs/dbraw/zinc/51/54/00/569515400.db2.gz AQLTXJIYTBQYIQ-UHFFFAOYSA-N 0 0 428.561 5.433 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)c(C)c1 ZINC000009250027 569515585 /nfs/dbraw/zinc/51/55/85/569515585.db2.gz UVPOSITYTGRFQS-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000009250056 569515633 /nfs/dbraw/zinc/51/56/33/569515633.db2.gz UEGLJIAJTVCWNY-LJQANCHMSA-N 0 0 433.577 5.229 50 0 IKAARN Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000009250055 569515654 /nfs/dbraw/zinc/51/56/54/569515654.db2.gz UEGLJIAJTVCWNY-IBGZPJMESA-N 0 0 433.577 5.229 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1OC ZINC000009250165 569515657 /nfs/dbraw/zinc/51/56/57/569515657.db2.gz IFBWXMXAXYVGOZ-UHFFFAOYSA-N 0 0 449.576 5.253 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000009250224 569515687 /nfs/dbraw/zinc/51/56/87/569515687.db2.gz YYZUPIBMQIUGQZ-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2)c(SCC(=O)Nc2ccccc2C)n1 ZINC000009250221 569515698 /nfs/dbraw/zinc/51/56/98/569515698.db2.gz VHORWZHXQRCHIZ-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009250236 569515725 /nfs/dbraw/zinc/51/57/25/569515725.db2.gz UZLBYDHAGUHUKV-UHFFFAOYSA-N 0 0 447.604 5.861 50 0 IKAARN C[C@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251096 569515730 /nfs/dbraw/zinc/51/57/30/569515730.db2.gz ZYEPEDXWHIDADH-AWEZNQCLSA-N 0 0 444.398 6.063 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 ZINC000009251336 569515828 /nfs/dbraw/zinc/51/58/28/569515828.db2.gz JJIFQSFWFHXQDM-UHFFFAOYSA-N 0 0 447.487 5.448 50 0 biogenic IKAARN Cc1c(C(=O)Nc2cc(F)ccc2F)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251351 569515840 /nfs/dbraw/zinc/51/58/40/569515840.db2.gz LIKDLXREPKMERJ-UHFFFAOYSA-N 0 0 425.431 5.940 50 0 biogenic IKAARN Cc1c(C(=O)NCc2ccccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251437 569515859 /nfs/dbraw/zinc/51/58/59/569515859.db2.gz JPTRUVJZWKLDMU-UHFFFAOYSA-N 0 0 431.532 6.038 50 0 biogenic IKAARN Cc1c(C(=O)Nc2cccc(C)c2C)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251410 569515866 /nfs/dbraw/zinc/51/58/66/569515866.db2.gz NKYYOASEUNRVKN-UHFFFAOYSA-N 0 0 431.532 6.669 50 0 biogenic IKAARN Cc1c(C(=O)Nc2cc(C)ccc2C)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000009251367 569515870 /nfs/dbraw/zinc/51/58/70/569515870.db2.gz XLLYBIRACNEYNL-UHFFFAOYSA-N 0 0 431.532 6.524 50 0 biogenic IKAARN Cc1c(C(=O)NCCCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000009251366 569515885 /nfs/dbraw/zinc/51/58/85/569515885.db2.gz AOSGPXFVFZOPQH-UHFFFAOYSA-N 0 0 445.559 6.018 50 0 biogenic IKAARN CCCCNC(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000009251583 569515914 /nfs/dbraw/zinc/51/59/14/569515914.db2.gz GRJDBGCVTPZUES-UHFFFAOYSA-N 0 0 431.561 5.920 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1ccccc1Br)c2-n1cccc1 ZINC000009251917 569515981 /nfs/dbraw/zinc/51/59/81/569515981.db2.gz RSGUONRZIVSYQZ-UHFFFAOYSA-N 0 0 440.366 5.396 50 0 IKAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009253092 569516119 /nfs/dbraw/zinc/51/61/19/569516119.db2.gz AJJJFBUZRAIDOW-UHFFFAOYSA-N 0 0 434.536 6.034 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3cccc(OC)c3)oc3ccc(Cl)cc3c2=O)cc1 ZINC000009253567 569516217 /nfs/dbraw/zinc/51/62/17/569516217.db2.gz XCWYFMOLJKYNCM-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN Clc1ccc(-c2nnc(CN(CCOc3cc(Cl)ccc3Cl)C3CC3)o2)cc1 ZINC000009253741 569516255 /nfs/dbraw/zinc/51/62/55/569516255.db2.gz PSZSLBZESIAMQX-UHFFFAOYSA-N 0 0 438.742 5.740 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)nc4ccccc43)n2)c(OC)c1 ZINC000009253762 569516268 /nfs/dbraw/zinc/51/62/68/569516268.db2.gz BTJQNPMBXVJMAI-UHFFFAOYSA-N 0 0 425.897 5.281 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1)C(c1ccccc1)c1ccccc1 ZINC000009254327 569516345 /nfs/dbraw/zinc/51/63/45/569516345.db2.gz GQZBFUROLUUPSF-UHFFFAOYSA-N 0 0 425.513 5.075 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009254958 569516453 /nfs/dbraw/zinc/51/64/53/569516453.db2.gz KTEVWKIPRBLEHC-FQEVSTJZSA-N 0 0 435.549 5.376 50 0 IKAARN Clc1ccc(Cl)c(SCCSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 ZINC000009254969 569516496 /nfs/dbraw/zinc/51/64/96/569516496.db2.gz NGKCGFYKCMSQLR-UHFFFAOYSA-N 0 0 427.334 5.657 50 0 IKAARN CC(=O)NCc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 ZINC000009255307 569516552 /nfs/dbraw/zinc/51/65/52/569516552.db2.gz GFLTZGSEQJFERG-UHFFFAOYSA-N 0 0 448.569 5.681 50 0 IKAARN O=C(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000009255796 569516650 /nfs/dbraw/zinc/51/66/50/569516650.db2.gz NLZSSSNDCCKFBC-XMMPIXPASA-N 0 0 441.527 5.451 50 0 IKAARN Clc1cccc(Cl)c1OCCSc1nnc(Cc2cccs2)n1C1CC1 ZINC000009257071 569516836 /nfs/dbraw/zinc/51/68/36/569516836.db2.gz IIAKVXGMSZGWMG-UHFFFAOYSA-N 0 0 426.394 5.743 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000069771160 569517140 /nfs/dbraw/zinc/51/71/40/569517140.db2.gz SJPOBVZVGMIOQC-UHFFFAOYSA-N 0 0 429.259 6.146 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000009266603 569517440 /nfs/dbraw/zinc/51/74/40/569517440.db2.gz AAIKTIXWRQZVNL-UHFFFAOYSA-N 0 0 432.911 5.521 50 0 IKAARN CCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000009266855 569517463 /nfs/dbraw/zinc/51/74/63/569517463.db2.gz XLCODPHWDCZKCZ-UHFFFAOYSA-N 0 0 444.966 6.383 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c12 ZINC000009266759 569517467 /nfs/dbraw/zinc/51/74/67/569517467.db2.gz ITJAALFXBBTVSR-UHFFFAOYSA-N 0 0 430.939 6.129 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000009266878 569517468 /nfs/dbraw/zinc/51/74/68/569517468.db2.gz XXVNOQPCTVHSKH-UHFFFAOYSA-N 0 0 434.902 5.960 50 0 IKAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(Cc1cccnc1)C3=O ZINC000009266953 569517475 /nfs/dbraw/zinc/51/74/75/569517475.db2.gz PRKSRCZNGQNDEA-XMMPIXPASA-N 0 0 438.527 5.674 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000009266740 569517476 /nfs/dbraw/zinc/51/74/76/569517476.db2.gz HNSFFUZFLVTHDF-UHFFFAOYSA-N 0 0 426.520 5.566 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCCc3ccc(Cl)cc3)c12 ZINC000009266479 569517477 /nfs/dbraw/zinc/51/74/77/569517477.db2.gz OKJPQGVDXZBVBI-UHFFFAOYSA-N 0 0 430.939 5.232 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000009266779 569517479 /nfs/dbraw/zinc/51/74/79/569517479.db2.gz DTCQWBGLMVTRCU-UHFFFAOYSA-N 0 0 446.938 5.829 50 0 IKAARN O=C(C1CC1)N1CCCCC[C@H]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000069778814 569517763 /nfs/dbraw/zinc/51/77/63/569517763.db2.gz IYXMMFFWTCJCIQ-SFHVURJKSA-N 0 0 429.914 5.151 50 0 IKAARN COCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000009272162 569517882 /nfs/dbraw/zinc/51/78/82/569517882.db2.gz CRHFZFHVQNWPRI-QPLCGJKRSA-N 0 0 447.560 5.639 50 0 IKAARN O=c1c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c-2nn1Cc1ccccc1Cl ZINC000009274756 569518184 /nfs/dbraw/zinc/51/81/84/569518184.db2.gz PTTMSSOJLQWXNX-UHFFFAOYSA-N 0 0 435.861 5.331 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274788 569518200 /nfs/dbraw/zinc/51/82/00/569518200.db2.gz VFEGPKYHMDMBGS-GOSISDBHSA-N 0 0 446.522 5.429 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009274822 569518203 /nfs/dbraw/zinc/51/82/03/569518203.db2.gz YFHAZRGMGONNFU-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN COc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000009274907 569518265 /nfs/dbraw/zinc/51/82/65/569518265.db2.gz PJWHOUWANNXWRP-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000009274923 569518286 /nfs/dbraw/zinc/51/82/86/569518286.db2.gz SBCMCCHDDCQZAL-UHFFFAOYSA-N 0 0 448.563 5.847 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000009274899 569518303 /nfs/dbraw/zinc/51/83/03/569518303.db2.gz NCTSOYGQDHCFAZ-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000009274921 569518307 /nfs/dbraw/zinc/51/83/07/569518307.db2.gz MYHBYXYQQLUQTO-UHFFFAOYSA-N 0 0 446.522 5.524 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccccc1F)c(C(=O)[O-])c2C[NH2+]Cc1ccc(Cl)cc1 ZINC000009274856 569518314 /nfs/dbraw/zinc/51/83/14/569518314.db2.gz OITPMZQUSYOUQY-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009274878 569518321 /nfs/dbraw/zinc/51/83/21/569518321.db2.gz CQEQEGUEIWZGTK-UHFFFAOYSA-N 0 0 448.563 5.847 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccc(F)cc1Cl)c(C(=O)[O-])c2C[NH2+]Cc1ccccc1 ZINC000009275026 569518349 /nfs/dbraw/zinc/51/83/49/569518349.db2.gz MGCPRAKGGGKARL-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccc(CC)cc3)c2C(=O)[O-])cc1 ZINC000009275020 569518376 /nfs/dbraw/zinc/51/83/76/569518376.db2.gz YXAPCRKRMPSURW-UHFFFAOYSA-N 0 0 438.571 6.191 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccc(C)cc1 ZINC000009277467 569518502 /nfs/dbraw/zinc/51/85/02/569518502.db2.gz RMPJFQLFZCDGJH-UHFFFAOYSA-N 0 0 425.941 5.357 50 0 IKAARN Cc1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 ZINC000009281302 569518572 /nfs/dbraw/zinc/51/85/72/569518572.db2.gz HEXHIPURBOUKGU-DEOSSOPVSA-N 0 0 440.506 6.539 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c(Cl)c1 ZINC000009281162 569518581 /nfs/dbraw/zinc/51/85/81/569518581.db2.gz YFVDRWSYNVHUJT-XXBNENTESA-N 0 0 439.298 5.964 50 0 IKAARN COc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000009281453 569518598 /nfs/dbraw/zinc/51/85/98/569518598.db2.gz FOTNJXGTUFUPDK-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 ZINC000009281746 569518602 /nfs/dbraw/zinc/51/86/02/569518602.db2.gz BLNJOOVTPUGVIC-JOCHJYFZSA-N 0 0 427.467 5.625 50 0 IKAARN Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccccc1 ZINC000009281918 569518651 /nfs/dbraw/zinc/51/86/51/569518651.db2.gz PUFNMLBADQQUSE-DEOSSOPVSA-N 0 0 440.506 6.539 50 0 IKAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NCC(C)C)n1 ZINC000009282608 569518689 /nfs/dbraw/zinc/51/86/89/569518689.db2.gz UHLPCFKACYJTNW-UHFFFAOYSA-N 0 0 430.643 6.004 50 0 IKAARN O=C(CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)c1ccc[nH]1 ZINC000009282811 569518733 /nfs/dbraw/zinc/51/87/33/569518733.db2.gz JOXCIGCIOPMWDS-UHFFFAOYSA-N 0 0 430.577 5.830 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)c3nnc(-c4ccccc4)o3)cc12 ZINC000009283111 569518788 /nfs/dbraw/zinc/51/87/88/569518788.db2.gz CKUAYZPVHCEDOM-HNNXBMFYSA-N 0 0 430.489 5.363 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000009283720 569518924 /nfs/dbraw/zinc/51/89/24/569518924.db2.gz ZTZVDINUVRFRRL-UHFFFAOYSA-N 0 0 444.560 5.006 50 0 IKAARN Cc1ccc2nc(CSc3nnc(-c4ccc(F)cc4)c4ccccc43)cc(=O)n2c1 ZINC000009284211 569519003 /nfs/dbraw/zinc/51/90/03/569519003.db2.gz IGZDQCFHZBOIDN-UHFFFAOYSA-N 0 0 428.492 5.045 50 0 IKAARN Cc1nc2scc(-c3cccs3)c2c(SCc2cc(=O)n3ccsc3n2)n1 ZINC000009284355 569519084 /nfs/dbraw/zinc/51/90/84/569519084.db2.gz MCNCNIGFEGDJLB-UHFFFAOYSA-N 0 0 428.589 5.090 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000009284967 569519215 /nfs/dbraw/zinc/51/92/15/569519215.db2.gz CYPYREHJIHAULH-OAQYLSRUSA-N 0 0 427.859 5.333 50 0 IKAARN CCCOc1ccc(CNC(=O)c2[nH]c3ccccc3c2Sc2ccc(C)cc2)cc1 ZINC000009288076 569519316 /nfs/dbraw/zinc/51/93/16/569519316.db2.gz LWUYJSYJJJTSFO-UHFFFAOYSA-N 0 0 430.573 6.346 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@H](C)CCc1ccccc1)c2Sc1ccccc1 ZINC000009288364 569519345 /nfs/dbraw/zinc/51/93/45/569519345.db2.gz DQUOVWZRDKZPBI-GOSISDBHSA-N 0 0 430.573 6.079 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1cccc(OC)c1)c2Sc1ccc(C)cc1 ZINC000009288450 569519347 /nfs/dbraw/zinc/51/93/47/569519347.db2.gz SEEKOSHOSFRAAW-UHFFFAOYSA-N 0 0 432.545 5.575 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1ccccc1OC)c2Sc1ccc(C)cc1 ZINC000009288443 569519387 /nfs/dbraw/zinc/51/93/87/569519387.db2.gz MTNHIEKBFPBGIP-UHFFFAOYSA-N 0 0 432.545 5.575 50 0 IKAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000009288852 569519459 /nfs/dbraw/zinc/51/94/59/569519459.db2.gz PKQQUCHLBKIIJP-JLHYYAGUSA-N 0 0 429.911 5.268 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000009289109 569519512 /nfs/dbraw/zinc/51/95/12/569519512.db2.gz XCIXXKSXPRNDAZ-UHFFFAOYSA-N 0 0 435.892 6.019 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CC(N)=O)c1-c1ccc2ccccc2c1 ZINC000009289233 569519516 /nfs/dbraw/zinc/51/95/16/569519516.db2.gz NARDXFAOHTYKON-NDEPHWFRSA-N 0 0 445.522 5.029 50 0 IKAARN CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289255 569519529 /nfs/dbraw/zinc/51/95/29/569519529.db2.gz DQULKIFOHDATNJ-PMACEKPBSA-N 0 0 431.561 5.065 50 0 IKAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000009289260 569519530 /nfs/dbraw/zinc/51/95/30/569519530.db2.gz JTENPBUEUSQQGE-AREMUKBSSA-N 0 0 436.559 6.396 50 0 IKAARN CC[C@H](C(=O)N[C@H]1CCCc2ccccc21)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289259 569519539 /nfs/dbraw/zinc/51/95/39/569519539.db2.gz DQULKIFOHDATNJ-VQTJNVASSA-N 0 0 431.561 5.065 50 0 IKAARN CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289274 569519545 /nfs/dbraw/zinc/51/95/45/569519545.db2.gz UXOVTRNMFLPDLB-MRXNPFEDSA-N 0 0 441.940 5.171 50 0 IKAARN Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000009289205 569519556 /nfs/dbraw/zinc/51/95/56/569519556.db2.gz VUEHFPOWWHDTLT-XMMPIXPASA-N 0 0 429.907 5.016 50 0 IKAARN CC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289280 569519561 /nfs/dbraw/zinc/51/95/61/569519561.db2.gz VDKUDQKNPRZPQN-OXJNMPFZSA-N 0 0 433.577 5.008 50 0 IKAARN COc1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1Cl ZINC000009289654 569519610 /nfs/dbraw/zinc/51/96/10/569519610.db2.gz PRHTUZLYZYTLPP-UHFFFAOYSA-N 0 0 441.940 5.001 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1F ZINC000009289876 569519633 /nfs/dbraw/zinc/51/96/33/569519633.db2.gz AUCPYHUQFPTVGW-UHFFFAOYSA-N 0 0 427.530 5.006 50 0 IKAARN COc1ccccc1CNc1nc(-c2cccc(Cl)c2)c2c(n1)-c1ccccc1OC2 ZINC000009289888 569519641 /nfs/dbraw/zinc/51/96/41/569519641.db2.gz HCARMCRCVMINCE-UHFFFAOYSA-N 0 0 429.907 5.977 50 0 IKAARN COc1ccc(Nc2nc(-c3ccc(F)cc3)c3c(n2)-c2ccccc2OC3)cc1Cl ZINC000009289959 569519649 /nfs/dbraw/zinc/51/96/49/569519649.db2.gz RURWTEVVAINFMT-UHFFFAOYSA-N 0 0 433.870 6.248 50 0 IKAARN COc1cc(Br)cc2c1Oc1nc(-c3ccc(C(C)C)cc3)[nH]c(=O)c1C2 ZINC000009290441 569519757 /nfs/dbraw/zinc/51/97/57/569519757.db2.gz RMTJWGHSJPUJBO-UHFFFAOYSA-N 0 0 427.298 5.028 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)c(Cl)c1 ZINC000009290930 569519819 /nfs/dbraw/zinc/51/98/19/569519819.db2.gz VIAJQASPXKGQNU-YADHBBJMSA-N 0 0 448.313 5.193 50 0 IKAARN Clc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 ZINC000009290909 569519839 /nfs/dbraw/zinc/51/98/39/569519839.db2.gz MOVQQQYSHFCABJ-TZIWHRDSSA-N 0 0 438.756 6.599 50 0 IKAARN CCOc1cc(-c2nc(-c3cc4cc(C)ccc4nc3OC)no2)cc(OCC)c1OCC ZINC000009291983 569519915 /nfs/dbraw/zinc/51/99/15/569519915.db2.gz AIZCTEUAQOFVDF-UHFFFAOYSA-N 0 0 449.507 5.465 50 0 IKAARN Clc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009292553 569520010 /nfs/dbraw/zinc/52/00/10/569520010.db2.gz XJGHNJDNTSCSLR-TZIWHRDSSA-N 0 0 438.756 6.599 50 0 IKAARN CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 ZINC000009292272 569520014 /nfs/dbraw/zinc/52/00/14/569520014.db2.gz OLTVZUDKSIEUPR-RBBKRZOGSA-N 0 0 438.358 6.888 50 0 IKAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009292834 569520098 /nfs/dbraw/zinc/52/00/98/569520098.db2.gz XLFGJRLYWRFFKK-GGAORHGYSA-N 0 0 448.364 6.344 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1Cl ZINC000009293258 569520127 /nfs/dbraw/zinc/52/01/27/569520127.db2.gz IZYMSRNDGIYNOA-FCHUYYIVSA-N 0 0 448.313 5.193 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1Cl ZINC000009293257 569520152 /nfs/dbraw/zinc/52/01/52/569520152.db2.gz IZYMSRNDGIYNOA-VXKWHMMOSA-N 0 0 448.313 5.193 50 0 IKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2Nc2ccc(C(C)C)cc2)c1-c1ccccc1 ZINC000009293342 569520226 /nfs/dbraw/zinc/52/02/26/569520226.db2.gz BGVXFWWCRRKXNV-UHFFFAOYSA-N 0 0 446.598 7.471 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000009293566 569520298 /nfs/dbraw/zinc/52/02/98/569520298.db2.gz LKJWKHLDQMOVML-HXUWFJFHSA-N 0 0 437.282 5.240 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C3CCCCC3)cc2)nnc1-c1ccccc1O ZINC000009295587 569520330 /nfs/dbraw/zinc/52/03/30/569520330.db2.gz YYUADCXEWCZDOI-UHFFFAOYSA-N 0 0 436.581 5.449 50 0 IKAARN Cc1sc2nc(SCc3cccc4ccccc43)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000009296209 569520411 /nfs/dbraw/zinc/52/04/11/569520411.db2.gz IUVWNRPLZQCOFS-UHFFFAOYSA-N 0 0 442.609 6.818 50 0 IKAARN Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009296268 569520437 /nfs/dbraw/zinc/52/04/37/569520437.db2.gz WFMRYZAAXYPLOQ-UHFFFAOYSA-N 0 0 435.980 5.991 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(CC)cc2)cc1 ZINC000009296266 569520451 /nfs/dbraw/zinc/52/04/51/569520451.db2.gz SZOZFHZYNPPEMX-UHFFFAOYSA-N 0 0 443.576 5.185 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)cc1 ZINC000009301952 569520801 /nfs/dbraw/zinc/52/08/01/569520801.db2.gz OMEZZWUWVCNFRC-HEBXWJCKSA-N 0 0 441.369 5.908 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000009303619 569521032 /nfs/dbraw/zinc/52/10/32/569521032.db2.gz WWRJNWKACOOMPF-HYBUGGRVSA-N 0 0 438.886 5.739 50 0 IKAARN CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccc(C)c1 ZINC000009305027 569521248 /nfs/dbraw/zinc/52/12/48/569521248.db2.gz PJTRRHBSIWNVLV-UHFFFAOYSA-N 0 0 440.657 5.860 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000009307407 569521374 /nfs/dbraw/zinc/52/13/74/569521374.db2.gz NGNJYQWMOBYUNI-UHFFFAOYSA-N 0 0 448.979 5.881 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1cccc2ccccc21 ZINC000009307241 569521399 /nfs/dbraw/zinc/52/13/99/569521399.db2.gz XLKLOPCIGVIAFR-UHFFFAOYSA-N 0 0 440.528 5.470 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 ZINC000009307387 569521406 /nfs/dbraw/zinc/52/14/06/569521406.db2.gz RVXTXUAKZIPNHI-MRXNPFEDSA-N 0 0 449.986 5.754 50 0 IKAARN Cc1c([C@@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000009307082 569521421 /nfs/dbraw/zinc/52/14/21/569521421.db2.gz OCNHOKFBEGVRGQ-NAKRPHOHSA-N 0 0 436.599 6.558 50 0 IKAARN COc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009308643 569521539 /nfs/dbraw/zinc/52/15/39/569521539.db2.gz MGLLAYOEPRNALP-TZIWHRDSSA-N 0 0 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6.895 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)cc1 ZINC000009316887 569522292 /nfs/dbraw/zinc/52/22/92/569522292.db2.gz XOKNNHFKEKLVPB-UHFFFAOYSA-N 0 0 427.504 5.390 50 0 IKAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000069877925 569522664 /nfs/dbraw/zinc/52/26/64/569522664.db2.gz MFNOSDNLPYWDLW-IBGZPJMESA-N 0 0 447.505 5.189 50 0 IKAARN CCC(=O)Nc1c(-c2ccc(C)cc2)nc2c(Br)cc(Br)cn21 ZINC000009327406 569522739 /nfs/dbraw/zinc/52/27/39/569522739.db2.gz CTSSXHWNBJUVLA-UHFFFAOYSA-N 0 0 437.135 5.183 50 0 IKAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(Cl)cc4)nc3c1[C@H]2c1ccccc1 ZINC000009327896 569522741 /nfs/dbraw/zinc/52/27/41/569522741.db2.gz GQWWUPAVOQUKKX-FQEVSTJZSA-N 0 0 426.863 5.436 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccc3ccccc32)c1NC(=O)c1ccc(Cl)cc1 ZINC000009327900 569522753 /nfs/dbraw/zinc/52/27/53/569522753.db2.gz GTAPHMDXCFQOJQ-UHFFFAOYSA-N 0 0 438.914 6.264 50 0 IKAARN COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(C)c2)cc1OC ZINC000009327756 569522769 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IKAARN O=C(CSc1nnc(-c2n[nH]c3ccccc32)o1)Nc1ccccc1Oc1ccccc1 ZINC000009335366 569523300 /nfs/dbraw/zinc/52/33/00/569523300.db2.gz PWFDYONXGSNULG-UHFFFAOYSA-N 0 0 443.488 5.136 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc2c1 ZINC000009336856 569523462 /nfs/dbraw/zinc/52/34/62/569523462.db2.gz PTKVKFNPFXXEMK-SFHVURJKSA-N 0 0 440.547 5.576 50 0 IKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000009340900 569523832 /nfs/dbraw/zinc/52/38/32/569523832.db2.gz VZIMMIHCLMRDTA-UHFFFAOYSA-N 0 0 437.874 6.002 50 0 IKAARN COc1ccc(-c2c(N)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1OC ZINC000009340192 569523834 /nfs/dbraw/zinc/52/38/34/569523834.db2.gz UHYPESCUOVVMLU-UHFFFAOYSA-N 0 0 437.879 5.292 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCc2ccccc2)cc1 ZINC000009344107 569523946 /nfs/dbraw/zinc/52/39/46/569523946.db2.gz BJTDHOAZOIDTSN-UHFFFAOYSA-N 0 0 428.488 5.655 50 0 IKAARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl ZINC000009344191 569523956 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439.494 5.215 50 0 IKAARN C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000009346464 569524283 /nfs/dbraw/zinc/52/42/83/569524283.db2.gz YNRKYFUNPRGPSW-OAHLLOKOSA-N 0 0 432.998 5.551 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1ccc(Cl)cc1Cl ZINC000009348842 569524546 /nfs/dbraw/zinc/52/45/46/569524546.db2.gz RTECLFHFSJFCNK-UHFFFAOYSA-N 0 0 432.353 6.549 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000009348958 569524647 /nfs/dbraw/zinc/52/46/47/569524647.db2.gz HKHWZECEUFOPFX-RDGATRHJSA-N 0 0 441.587 5.952 50 0 IKAARN O=C(Nc1nc(-c2cccc(NC(=O)c3ccccc3F)c2)cs1)c1ccccc1F ZINC000009354731 569525090 /nfs/dbraw/zinc/52/50/90/569525090.db2.gz WBIUHBBKYDWJTC-UHFFFAOYSA-N 0 0 435.455 5.593 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1Oc1ccccc1 ZINC000009354679 569525093 /nfs/dbraw/zinc/52/50/93/569525093.db2.gz ZXWOAUXBAPCUEI-UHFFFAOYSA-N 0 0 448.547 7.522 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000009354598 569525119 /nfs/dbraw/zinc/52/51/19/569525119.db2.gz YSKZQXYELGYXCL-UHFFFAOYSA-N 0 0 428.513 5.906 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000009354576 569525120 /nfs/dbraw/zinc/52/51/20/569525120.db2.gz AWXNZMXINLWCLU-UHFFFAOYSA-N 0 0 425.340 7.036 50 0 IKAARN O=C(Nc1nc(C(c2ccccc2)c2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000009354664 569525124 /nfs/dbraw/zinc/52/51/24/569525124.db2.gz IWIQQLJWOUJLQL-UHFFFAOYSA-N 0 0 428.601 6.478 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000009355423 569525215 /nfs/dbraw/zinc/52/52/15/569525215.db2.gz FJXCTGRPNBOCGN-LJAQVGFWSA-N 0 0 428.535 6.889 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1CCc1ccccc1 ZINC000009355550 569525219 /nfs/dbraw/zinc/52/52/19/569525219.db2.gz ZPKAYISHDATSDZ-LJAQVGFWSA-N 0 0 446.525 6.762 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1 ZINC000009355436 569525220 /nfs/dbraw/zinc/52/52/20/569525220.db2.gz 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Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@@H]3c1ccccc1 ZINC000009356565 569525508 /nfs/dbraw/zinc/52/55/08/569525508.db2.gz ILIQKOIBOWSXGS-QHCPKHFHSA-N 0 0 442.478 5.936 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)cc1OC ZINC000009360875 569525757 /nfs/dbraw/zinc/52/57/57/569525757.db2.gz XEEPKCOKJJDTAC-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN CCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 ZINC000009360416 569525815 /nfs/dbraw/zinc/52/58/15/569525815.db2.gz NPDXNCLYKWHWPQ-RQZHXJHFSA-N 0 0 427.573 6.501 50 0 IKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000009362756 569525833 /nfs/dbraw/zinc/52/58/33/569525833.db2.gz RWRMEGDXKXIYGJ-QFIPXVFZSA-N 0 0 448.295 5.728 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)c(C)c2)c1 ZINC000009361230 569525886 /nfs/dbraw/zinc/52/58/86/569525886.db2.gz SEUALHTZMXFLNX-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 ZINC000009363791 569525920 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/nfs/dbraw/zinc/52/66/01/569526601.db2.gz YUOGEMMXFRYNCN-UHFFFAOYSA-N 0 0 447.866 5.894 50 0 IKAARN CCC(C)(C)c1ccc(OCCCCSc2nc3ccccc3[nH]2)c(C(C)(C)CC)c1 ZINC000009369233 569526711 /nfs/dbraw/zinc/52/67/11/569526711.db2.gz HEEQZWLWNASEHO-UHFFFAOYSA-N 0 0 438.681 7.889 50 0 IKAARN CCCC[C@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000009369615 569526747 /nfs/dbraw/zinc/52/67/47/569526747.db2.gz PTXCWZMHSFJQOQ-VWLOTQADSA-N 0 0 448.607 6.061 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1ncc(Cl)cc1Cl ZINC000009373325 569527038 /nfs/dbraw/zinc/52/70/38/569527038.db2.gz HCQNJVBSCHEFOZ-UHFFFAOYSA-N 0 0 447.372 5.791 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000009374450 569527153 /nfs/dbraw/zinc/52/71/53/569527153.db2.gz FDYSZUQDISYRGY-OAQYLSRUSA-N 0 0 443.446 7.643 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009376233 569527334 /nfs/dbraw/zinc/52/73/34/569527334.db2.gz LRBGHFZNZIIVIF-UHFFFAOYSA-N 0 0 445.890 5.832 50 0 IKAARN CS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)c1 ZINC000009377828 569527533 /nfs/dbraw/zinc/52/75/33/569527533.db2.gz PUJCTRFRZOIWIK-UHFFFAOYSA-N 0 0 440.487 5.106 50 0 IKAARN COc1ccc(Oc2ncccc2NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000070004589 569527687 /nfs/dbraw/zinc/52/76/87/569527687.db2.gz SINSUPPJIBAZPU-QFIPXVFZSA-N 0 0 449.507 5.269 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000009380497 569527887 /nfs/dbraw/zinc/52/78/87/569527887.db2.gz KMAOUSXEXYHBCK-QHCPKHFHSA-N 0 0 435.930 6.004 50 0 IKAARN Cc1ccc2c(CC(=O)N3CCCN(C(=O)Nc4ccc(Cl)cc4)CC3)coc2c1C ZINC000070006126 569528017 /nfs/dbraw/zinc/52/80/17/569528017.db2.gz WDKCJFAADHRKNX-UHFFFAOYSA-N 0 0 439.943 5.012 50 0 IKAARN Cc1cnn(CCN(Cc2cc(-c3ccccc3)no2)Cc2cc(-c3ccccc3)no2)c1 ZINC000070011598 569528030 /nfs/dbraw/zinc/52/80/30/569528030.db2.gz BGZJOKIIHLBNTQ-UHFFFAOYSA-N 0 0 439.519 5.204 50 0 IKAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1 ZINC000009381030 569528036 /nfs/dbraw/zinc/52/80/36/569528036.db2.gz SKQCHJZPYPYLLB-UHFFFAOYSA-N 0 0 432.389 5.469 50 0 IKAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1c[nH]c2ccccc21 ZINC000009382272 569528198 /nfs/dbraw/zinc/52/81/98/569528198.db2.gz KTIMHYAYLVEEQF-UHFFFAOYSA-N 0 0 432.336 5.001 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1c[nH]c2ccccc21 ZINC000009382289 569528255 /nfs/dbraw/zinc/52/82/55/569528255.db2.gz BISDOBVQOQIZTJ-UHFFFAOYSA-N 0 0 446.363 5.484 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)COc2cccc(C)c2C)c1 ZINC000009387221 569528478 /nfs/dbraw/zinc/52/84/78/569528478.db2.gz YKAOYVWNXVDZHV-NRFANRHFSA-N 0 0 430.548 5.431 50 0 IKAARN Cc1nc2cc(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)ccc2o1 ZINC000009387311 569528527 /nfs/dbraw/zinc/52/85/27/569528527.db2.gz HESMPLHHJVQNCM-UHFFFAOYSA-N 0 0 437.565 5.177 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2COc2ccccc2)c1 ZINC000009389177 569528598 /nfs/dbraw/zinc/52/85/98/569528598.db2.gz VAFUZXPKPPHLLT-UHFFFAOYSA-N 0 0 442.515 5.379 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009390102 569528630 /nfs/dbraw/zinc/52/86/30/569528630.db2.gz CHZWXFUNXQZDTE-UHFFFAOYSA-N 0 0 437.849 5.393 50 0 IKAARN CC[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cccc(Cl)c1C ZINC000009390744 569528752 /nfs/dbraw/zinc/52/87/52/569528752.db2.gz LIHLQQNETDQXMK-CQSZACIVSA-N 0 0 444.988 5.058 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccc(Br)cc2)cc1 ZINC000009391154 569528867 /nfs/dbraw/zinc/52/88/67/569528867.db2.gz VTSXYKVFVVGNLE-HXUWFJFHSA-N 0 0 426.383 5.361 50 0 IKAARN COc1cccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000009391142 569528882 /nfs/dbraw/zinc/52/88/82/569528882.db2.gz QOTXCCXFAVRQFA-HXUWFJFHSA-N 0 0 432.376 5.606 50 0 IKAARN COc1ccc(NC(=O)CSc2cn(Cc3cccc(C)c3)c3ccccc23)c(OC)c1 ZINC000009391735 569528970 /nfs/dbraw/zinc/52/89/70/569528970.db2.gz YZEGOJWALCRQTI-UHFFFAOYSA-N 0 0 446.572 5.746 50 0 IKAARN Cc1cccc(Cn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)c1 ZINC000009391733 569528976 /nfs/dbraw/zinc/52/89/76/569528976.db2.gz GERMBKNZQRIGGD-UHFFFAOYSA-N 0 0 430.529 5.458 50 0 IKAARN Cc1ccc(Cn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)cc1 ZINC000009391747 569528978 /nfs/dbraw/zinc/52/89/78/569528978.db2.gz RZDOVFRZDWYXBE-UHFFFAOYSA-N 0 0 430.529 5.458 50 0 IKAARN CCOc1ccc(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)cc1 ZINC000009391758 569528987 /nfs/dbraw/zinc/52/89/87/569528987.db2.gz UBLOLWWBMXTZGZ-UHFFFAOYSA-N 0 0 444.600 6.436 50 0 IKAARN Cc1ccc(C(=O)NCCn2cc(SCc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000009391862 569529017 /nfs/dbraw/zinc/52/90/17/569529017.db2.gz INFFHNQEHOJXEX-UHFFFAOYSA-N 0 0 434.992 6.325 50 0 IKAARN Cc1ccccc1Cn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000009394408 569529118 /nfs/dbraw/zinc/52/91/18/569529118.db2.gz XJMWGFWZCDEZSV-UHFFFAOYSA-N 0 0 444.556 5.135 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)c(C)c1 ZINC000009394406 569529150 /nfs/dbraw/zinc/52/91/50/569529150.db2.gz TXOTUPRRESAIAV-UHFFFAOYSA-N 0 0 428.601 6.654 50 0 IKAARN Cc1ccc(C)c(Cn2cc(SCC(=O)NCc3ccc(F)cc3)c3ccccc32)c1 ZINC000009394434 569529163 /nfs/dbraw/zinc/52/91/63/569529163.db2.gz WKVYUHITSPJYTJ-UHFFFAOYSA-N 0 0 432.564 5.854 50 0 IKAARN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000070039831 569529390 /nfs/dbraw/zinc/52/93/90/569529390.db2.gz DHCFWBMBOGYEAD-UHFFFAOYSA-N 0 0 447.149 5.492 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1cccc(O)c1 ZINC000009402826 569529399 /nfs/dbraw/zinc/52/93/99/569529399.db2.gz YCDKYOIQRBLEFN-UHFFFAOYSA-N 0 0 430.913 5.001 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000009403075 569529425 /nfs/dbraw/zinc/52/94/25/569529425.db2.gz SLRBCUKFHXQMSA-LJQANCHMSA-N 0 0 431.458 5.270 50 0 IKAARN Clc1ccc2nc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)cn2c1 ZINC000009403815 569529560 /nfs/dbraw/zinc/52/95/60/569529560.db2.gz SKFXHFCDHZUZHL-UHFFFAOYSA-N 0 0 437.981 5.648 50 0 IKAARN CC[C@@H](Sc1ccc(C)cc1)C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 ZINC000009404368 569529654 /nfs/dbraw/zinc/52/96/54/569529654.db2.gz QSBGIMSQTOHOFP-GOSISDBHSA-N 0 0 429.567 5.040 50 0 IKAARN COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 ZINC000009404452 569529672 /nfs/dbraw/zinc/52/96/72/569529672.db2.gz VJBLVQBSNTXVNV-UHFFFAOYSA-N 0 0 443.528 5.672 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2Cl)CSC3)cc1 ZINC000009404524 569529716 /nfs/dbraw/zinc/52/97/16/569529716.db2.gz WSQHVGKZTDJWRD-UHFFFAOYSA-N 0 0 434.348 5.252 50 0 IKAARN CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1ccc(C(C)C)cc1 ZINC000009405677 569529948 /nfs/dbraw/zinc/52/99/48/569529948.db2.gz WCYHEYXQOAUGPJ-UHFFFAOYSA-N 0 0 437.609 5.673 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccc5Cl)cc4sc3n2)cc1 ZINC000009406395 569530057 /nfs/dbraw/zinc/53/00/57/569530057.db2.gz NZKUEFYQFPEMFU-UHFFFAOYSA-N 0 0 447.947 5.808 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)N[C@H](C)c5ccccc5)cc4sc3n2)cc1 ZINC000009406412 569530069 /nfs/dbraw/zinc/53/00/69/569530069.db2.gz OHLLLIJPUCLWLX-MRXNPFEDSA-N 0 0 427.529 5.716 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccc5C)cc4sc3n2)cc1 ZINC000009406488 569530075 /nfs/dbraw/zinc/53/00/75/569530075.db2.gz XKZFMNOJPMGYJU-UHFFFAOYSA-N 0 0 425.557 6.017 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn21 ZINC000009406401 569530082 /nfs/dbraw/zinc/53/00/82/569530082.db2.gz ZSBOTHOFGPFBMF-UHFFFAOYSA-N 0 0 427.529 6.039 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000009406538 569530094 /nfs/dbraw/zinc/53/00/94/569530094.db2.gz RCLZPHWROSWNJQ-SFHVURJKSA-N 0 0 425.557 5.967 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000009406537 569530096 /nfs/dbraw/zinc/53/00/96/569530096.db2.gz WBNCWFZJHSFUIL-UHFFFAOYSA-N 0 0 436.540 5.670 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4cccc(OC)c4)cn32)cc1 ZINC000009406525 569530104 /nfs/dbraw/zinc/53/01/04/569530104.db2.gz YVVLJGDATQYVIV-UHFFFAOYSA-N 0 0 441.556 5.717 50 0 IKAARN COc1cccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4C)cn32)c1 ZINC000009406662 569530120 /nfs/dbraw/zinc/53/01/20/569530120.db2.gz PTGMHBTWBVOODL-UHFFFAOYSA-N 0 0 441.556 5.771 50 0 IKAARN CCOc1ccc(-c2cn3c4ccc(C(=O)N[C@H]5CCCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406624 569530127 /nfs/dbraw/zinc/53/01/27/569530127.db2.gz ODLWWMXELXXUEF-UZLBHIALSA-N 0 0 433.577 5.923 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 ZINC000009406572 569530135 /nfs/dbraw/zinc/53/01/35/569530135.db2.gz LIMRHVWQVJPCAQ-UHFFFAOYSA-N 0 0 445.475 5.394 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)c(Br)c1 ZINC000009407508 569530215 /nfs/dbraw/zinc/53/02/15/569530215.db2.gz FHAOUNIPIJCTII-UHFFFAOYSA-N 0 0 448.363 5.026 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1cccc(Cl)c1 ZINC000009407528 569530253 /nfs/dbraw/zinc/53/02/53/569530253.db2.gz YFSFJZBJFWTVLK-UHFFFAOYSA-N 0 0 431.966 5.413 50 0 IKAARN COc1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)c(OC)c1 ZINC000009407760 569530289 /nfs/dbraw/zinc/53/02/89/569530289.db2.gz LAUBBMZIVWLIAI-UHFFFAOYSA-N 0 0 431.966 5.968 50 0 IKAARN Cc1cc(=O)oc2cc(NC(=O)c3cc4c(s3)-c3ccc(Cl)cc3SC4)ccc12 ZINC000009407780 569530329 /nfs/dbraw/zinc/53/03/29/569530329.db2.gz PHKUBKDNPAXYDI-UHFFFAOYSA-N 0 0 439.945 6.341 50 0 IKAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 ZINC000009407810 569530366 /nfs/dbraw/zinc/53/03/66/569530366.db2.gz TVMUMEKCICXSBZ-UHFFFAOYSA-N 0 0 426.520 5.120 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)Nc3cc(F)ccc3F)c(C)c12 ZINC000009408516 569530578 /nfs/dbraw/zinc/53/05/78/569530578.db2.gz IUWALWLQTRCPLM-UHFFFAOYSA-N 0 0 448.517 5.812 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)Nc3cc(C)cc(C)c3)c(C)c12 ZINC000009408507 569530594 /nfs/dbraw/zinc/53/05/94/569530594.db2.gz SIKRPVAYVQQDNB-UHFFFAOYSA-N 0 0 440.591 6.151 50 0 IKAARN COc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)c1 ZINC000009408491 569530619 /nfs/dbraw/zinc/53/06/19/569530619.db2.gz AUZOROVYIATMII-UHFFFAOYSA-N 0 0 442.563 5.543 50 0 IKAARN CCOc1ccc(NC(=O)Cc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 ZINC000009408620 569530625 /nfs/dbraw/zinc/53/06/25/569530625.db2.gz CYMBQFJVRQXHOD-UHFFFAOYSA-N 0 0 432.499 5.041 50 0 IKAARN CCCN(c1ccccc1F)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408777 569530628 /nfs/dbraw/zinc/53/06/28/569530628.db2.gz ZRRTXXGARHYGJK-QHCPKHFHSA-N 0 0 446.975 5.415 50 0 IKAARN CSc1ccc(CCNC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)cc1 ZINC000009408555 569530668 /nfs/dbraw/zinc/53/06/68/569530668.db2.gz MYJAGVBGUFTBBN-UHFFFAOYSA-N 0 0 438.641 5.125 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Oc1cc2sc(=O)oc2c(-c2ccccc2)c1 ZINC000009408843 569530690 /nfs/dbraw/zinc/53/06/90/569530690.db2.gz KZCDZVDGBZZNSB-UHFFFAOYSA-N 0 0 426.877 5.468 50 0 IKAARN CC(C)n1c2ccccc2c2nnc(SCCCC(=O)c3ccc(C(C)(C)C)cc3)nc21 ZINC000009408839 569530712 /nfs/dbraw/zinc/53/07/12/569530712.db2.gz JMLJCSOUHQBWOP-UHFFFAOYSA-N 0 0 446.620 6.613 50 0 IKAARN CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(F)c3)c3ccccn32)cc1 ZINC000009408806 569530755 /nfs/dbraw/zinc/53/07/55/569530755.db2.gz RSUWMTDRVRRDGT-UHFFFAOYSA-N 0 0 429.495 5.487 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000009408983 569530830 /nfs/dbraw/zinc/53/08/30/569530830.db2.gz WOBPUSRDWMVJPI-XMMPIXPASA-N 0 0 427.504 5.418 50 0 IKAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 ZINC000009408975 569530858 /nfs/dbraw/zinc/53/08/58/569530858.db2.gz JRUMWBLWLKIRRJ-OAQYLSRUSA-N 0 0 440.286 5.428 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OCC ZINC000009409237 569530876 /nfs/dbraw/zinc/53/08/76/569530876.db2.gz YPLCIHOKNSKPJK-RUZDIDTESA-N 0 0 449.551 5.315 50 0 IKAARN CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000009409230 569530890 /nfs/dbraw/zinc/53/08/90/569530890.db2.gz IQYMWQFKRIDOJR-VWLOTQADSA-N 0 0 449.551 5.171 50 0 IKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC)c(OCC)c1 ZINC000009409268 569530969 /nfs/dbraw/zinc/53/09/69/569530969.db2.gz DMXBBEZVURHASH-VWLOTQADSA-N 0 0 449.551 5.315 50 0 IKAARN CCCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)c1 ZINC000009409261 569531023 /nfs/dbraw/zinc/53/10/23/569531023.db2.gz OQNZMBUWYSZQCM-RUZDIDTESA-N 0 0 433.552 5.697 50 0 IKAARN Cc1ccccc1COc1ccc(-c2ncncc2-c2ccc(Br)cc2)c(O)c1 ZINC000009409513 569531088 /nfs/dbraw/zinc/53/10/88/569531088.db2.gz XCWHYBUUYIWGKQ-UHFFFAOYSA-N 0 0 447.332 6.166 50 0 IKAARN CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2cccc(Cl)c2)cc1O ZINC000009409490 569531096 /nfs/dbraw/zinc/53/10/96/569531096.db2.gz KUWYFKSFYHCROS-UHFFFAOYSA-N 0 0 436.895 6.206 50 0 IKAARN COc1ccc(/C=C/c2noc(-c3ccccc3OC(=O)c3ccccc3)n2)cc1OC ZINC000009409885 569531224 /nfs/dbraw/zinc/53/12/24/569531224.db2.gz VCIXLPNBFBOFKF-FYWRMAATSA-N 0 0 428.444 5.143 50 0 IKAARN COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1O ZINC000009410071 569531243 /nfs/dbraw/zinc/53/12/43/569531243.db2.gz RAOKSQLNKAEKIK-UHFFFAOYSA-N 0 0 433.895 5.339 50 0 IKAARN Cc1[nH]nc(-c2ccc(OCc3ccccc3C)cc2O)c1-c1ccc(Br)cc1 ZINC000009410138 569531292 /nfs/dbraw/zinc/53/12/92/569531292.db2.gz OHIIWEOGECGSQQ-UHFFFAOYSA-N 0 0 449.348 6.408 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1cccnc1)occ3-c1ccc(F)cc1 ZINC000009410378 569531322 /nfs/dbraw/zinc/53/13/22/569531322.db2.gz MDAGUTGKANJGDG-UHFFFAOYSA-N 0 0 442.446 5.620 50 0 IKAARN CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 ZINC000009410790 569531391 /nfs/dbraw/zinc/53/13/91/569531391.db2.gz KJTOMNLYONKQIB-UHFFFAOYSA-N 0 0 444.487 5.639 50 0 IKAARN O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1ccccc1Br ZINC000009413614 569531845 /nfs/dbraw/zinc/53/18/45/569531845.db2.gz ZQOBUFNMNZOEMB-UHFFFAOYSA-N 0 0 435.277 5.700 50 0 IKAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C ZINC000009414239 569531932 /nfs/dbraw/zinc/53/19/32/569531932.db2.gz ABECTXRKMAEFIA-HTAPYJJXSA-N 0 0 447.608 5.184 50 0 IKAARN COc1cc(Br)c(CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000009414227 569531935 /nfs/dbraw/zinc/53/19/35/569531935.db2.gz WCQFOUWKVPVYQO-UHFFFAOYSA-N 0 0 434.374 5.894 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O ZINC000009414024 569531976 /nfs/dbraw/zinc/53/19/76/569531976.db2.gz BMZYQRHYUVBUMY-UHFFFAOYSA-N 0 0 442.402 5.183 50 0 IKAARN CCCCc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)cc1 ZINC000009414596 569531986 /nfs/dbraw/zinc/53/19/86/569531986.db2.gz HWXNVONTSGFZSS-HSZRJFAPSA-N 0 0 434.561 5.831 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCCC2)c(OC)c1 ZINC000009414330 569531995 /nfs/dbraw/zinc/53/19/95/569531995.db2.gz LXIHCTIDFIJXIN-UHFFFAOYSA-N 0 0 436.508 5.611 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000009414327 569532014 /nfs/dbraw/zinc/53/20/14/569532014.db2.gz SGPMHWPBUUODQQ-UHFFFAOYSA-N 0 0 438.439 5.352 50 0 IKAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1cccc2ccccc21 ZINC000009414584 569532021 /nfs/dbraw/zinc/53/20/21/569532021.db2.gz UIAKXQWQTNDANQ-QHCPKHFHSA-N 0 0 428.513 5.642 50 0 IKAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1cccc2ccccc21 ZINC000009414588 569532030 /nfs/dbraw/zinc/53/20/30/569532030.db2.gz UIAKXQWQTNDANQ-HSZRJFAPSA-N 0 0 428.513 5.642 50 0 IKAARN O=C(CSc1ncnc2ccccc21)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000009414674 569532074 /nfs/dbraw/zinc/53/20/74/569532074.db2.gz KHEPNVLXBKYUCU-HXUWFJFHSA-N 0 0 448.548 5.300 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1 ZINC000009418946 569532481 /nfs/dbraw/zinc/53/24/81/569532481.db2.gz DVOZWJWRWBAYNY-UHFFFAOYSA-N 0 0 443.330 5.770 50 0 IKAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c1 ZINC000009420124 569532623 /nfs/dbraw/zinc/53/26/23/569532623.db2.gz MJOPLHMYVRKVPU-HSZRJFAPSA-N 0 0 442.544 5.307 50 0 IKAARN Cc1ccnc(SCc2nc3cc(NC(=O)Nc4cccc(Cl)c4)ccc3n2C)n1 ZINC000009421435 569532766 /nfs/dbraw/zinc/53/27/66/569532766.db2.gz DRTVATJGGYZURW-UHFFFAOYSA-N 0 0 438.944 5.261 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009426297 569533263 /nfs/dbraw/zinc/53/32/63/569533263.db2.gz LRLPCOSCNDTDAO-XMMPIXPASA-N 0 0 435.354 7.097 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc2ccccc21 ZINC000009426124 569533267 /nfs/dbraw/zinc/53/32/67/569533267.db2.gz XSVKTRJOTOHCLF-UHFFFAOYSA-N 0 0 441.487 5.914 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009426950 569533336 /nfs/dbraw/zinc/53/33/36/569533336.db2.gz ZLOODGSKTZILTD-UHFFFAOYSA-N 0 0 428.941 5.034 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 ZINC000009427684 569533450 /nfs/dbraw/zinc/53/34/50/569533450.db2.gz OSMMZYYAOKLFDT-UHFFFAOYSA-N 0 0 426.516 5.391 50 0 IKAARN COc1ccc(-n2c(-c3ccccc3)cn3c2nc(-c2ccccc2)c3-c2ccccc2)cc1 ZINC000009427882 569533453 /nfs/dbraw/zinc/53/34/53/569533453.db2.gz NWUXFJZALNMQGS-UHFFFAOYSA-N 0 0 441.534 7.135 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cc(C)ccc2C)cc1 ZINC000009428030 569533462 /nfs/dbraw/zinc/53/34/62/569533462.db2.gz PNHHVMDLCXPSBI-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000009428664 569533534 /nfs/dbraw/zinc/53/35/34/569533534.db2.gz OTEHKGLLYWBQNW-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2)cc1OC ZINC000009428349 569533572 /nfs/dbraw/zinc/53/35/72/569533572.db2.gz KJIZMNMOCXEAFC-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN O=C(N(c1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390829953 569533585 /nfs/dbraw/zinc/53/35/85/569533585.db2.gz HRGHDIBECOWTLN-UHFFFAOYSA-N 0 0 434.561 5.024 50 0 IKAARN Cc1oc2cc(OCC(=O)N[C@@H](C)c3cccs3)ccc2c(=O)c1Oc1ccccc1 ZINC000009429082 569533586 /nfs/dbraw/zinc/53/35/86/569533586.db2.gz HMJMCWBGBMBELD-HNNXBMFYSA-N 0 0 435.501 5.211 50 0 IKAARN C[C@@H](CNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2s1 ZINC000390832918 569533599 /nfs/dbraw/zinc/53/35/99/569533599.db2.gz ACMXXXDIHBGZSY-IRXDYDNUSA-N 0 0 445.629 5.189 50 0 IKAARN O=C(c1csc(-c2ccccc2)n1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390831919 569533631 /nfs/dbraw/zinc/53/36/31/569533631.db2.gz VYFUEHWCHXGJPN-UHFFFAOYSA-N 0 0 434.487 5.110 50 0 IKAARN COc1ccc(-c2c/c(=N\c3ccc(Nc4ccccc4)cc3)c3cc(O)ccc3o2)cc1 ZINC000009429198 569533671 /nfs/dbraw/zinc/53/36/71/569533671.db2.gz YVVZZMVGTJUGCV-URGPHPNLSA-N 0 0 434.495 6.790 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000009429274 569533684 /nfs/dbraw/zinc/53/36/84/569533684.db2.gz OFWYJUSUQNSYOC-UHFFFAOYSA-N 0 0 426.324 6.488 50 0 IKAARN COc1ccc(OCC(=O)Oc2cc3sc(=O)oc3c(-c3ccc(Cl)cc3)c2)cc1 ZINC000009430737 569533982 /nfs/dbraw/zinc/53/39/82/569533982.db2.gz JIMZNLBMHNDVAN-UHFFFAOYSA-N 0 0 442.876 5.168 50 0 IKAARN COc1ccc(-c2cc(OC(=O)c3oc4ccc(C)cc4c3C)cc3sc(=O)oc32)cc1 ZINC000009430752 569533984 /nfs/dbraw/zinc/53/39/84/569533984.db2.gz MTEREPJQPANINB-UHFFFAOYSA-N 0 0 446.480 6.112 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)c3cc(C)ccc3C)c(=O)[nH]c2c1 ZINC000009431068 569534079 /nfs/dbraw/zinc/53/40/79/569534079.db2.gz UTTZSHUFVNPHHL-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000009431055 569534080 /nfs/dbraw/zinc/53/40/80/569534080.db2.gz TXSWPRAZFTXZDX-UHFFFAOYSA-N 0 0 430.935 6.366 50 0 IKAARN CSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)n1 ZINC000009431752 569534228 /nfs/dbraw/zinc/53/42/28/569534228.db2.gz KSVPHAYFSFEPMA-UHFFFAOYSA-N 0 0 438.896 5.103 50 0 IKAARN O=C(COc1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000009431918 569534294 /nfs/dbraw/zinc/53/42/94/569534294.db2.gz AFDCBSXHUIMEHT-UHFFFAOYSA-N 0 0 434.717 5.303 50 0 IKAARN CCCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3)s2)n1 ZINC000009431836 569534325 /nfs/dbraw/zinc/53/43/25/569534325.db2.gz HXDRZXWVTSVRFS-UHFFFAOYSA-N 0 0 438.003 5.028 50 0 IKAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 ZINC000009432025 569534374 /nfs/dbraw/zinc/53/43/74/569534374.db2.gz CELZCUZCXWCFLQ-PGRDOPGGSA-N 0 0 443.613 5.275 50 0 IKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)c1 ZINC000009432064 569534381 /nfs/dbraw/zinc/53/43/81/569534381.db2.gz FRNFNOOJDDWYRR-UHFFFAOYSA-N 0 0 425.706 6.596 50 0 IKAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000009433206 569534508 /nfs/dbraw/zinc/53/45/08/569534508.db2.gz QITHJFSTDAONEL-ZEQRLZLVSA-N 0 0 432.589 5.886 50 0 IKAARN CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1C ZINC000009433132 569534548 /nfs/dbraw/zinc/53/45/48/569534548.db2.gz WPQIFZFEIFGVLA-LOSJGSFVSA-N 0 0 446.616 6.046 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009433335 569534557 /nfs/dbraw/zinc/53/45/57/569534557.db2.gz QVDLIDJJTGLJHW-DNQXCXABSA-N 0 0 432.589 5.940 50 0 IKAARN Cc1cccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009433240 569534558 /nfs/dbraw/zinc/53/45/58/569534558.db2.gz LMUKETIJVNZEFG-LOSJGSFVSA-N 0 0 446.616 5.352 50 0 IKAARN Cc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009433595 569534559 /nfs/dbraw/zinc/53/45/59/569534559.db2.gz NCWDMURAVPMFBO-DQEYMECFSA-N 0 0 444.600 5.596 50 0 IKAARN CC1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000009433671 569534562 /nfs/dbraw/zinc/53/45/62/569534562.db2.gz NAFUNXQOJIYKLP-OSZFHHHMSA-N 0 0 436.621 5.666 50 0 IKAARN CC1CCC(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000009433670 569534566 /nfs/dbraw/zinc/53/45/66/569534566.db2.gz NAFUNXQOJIYKLP-COOLUFGBSA-N 0 0 436.621 5.666 50 0 IKAARN O=C(NCCC1=CCCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433339 569534587 /nfs/dbraw/zinc/53/45/87/569534587.db2.gz HUWUIDDJZAFBBK-DQEYMECFSA-N 0 0 448.632 5.978 50 0 IKAARN O=C(NCc1cccs1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433532 569534589 /nfs/dbraw/zinc/53/45/89/569534589.db2.gz IKKMLWMMDGCWNV-VXKWHMMOSA-N 0 0 436.602 5.349 50 0 IKAARN CC1CCC(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000009433668 569534592 /nfs/dbraw/zinc/53/45/92/569534592.db2.gz NAFUNXQOJIYKLP-ZYTVHREMSA-N 0 0 436.621 5.666 50 0 IKAARN O=C(NCc1cccs1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433534 569534594 /nfs/dbraw/zinc/53/45/94/569534594.db2.gz IKKMLWMMDGCWNV-FCHUYYIVSA-N 0 0 436.602 5.349 50 0 IKAARN O=C(NC1CCCCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433456 569534596 /nfs/dbraw/zinc/53/45/96/569534596.db2.gz QFOHAKCKPUMNES-BJKOFHAPSA-N 0 0 436.621 5.810 50 0 IKAARN FC(F)(F)c1ccccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000009434106 569534666 /nfs/dbraw/zinc/53/46/66/569534666.db2.gz HZESDIPEQWGTEA-UHFFFAOYSA-N 0 0 444.254 6.822 50 0 IKAARN Fc1cccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000009434047 569534717 /nfs/dbraw/zinc/53/47/17/569534717.db2.gz SNPCCQRIZYMGCX-LVWGJNHUSA-N 0 0 434.268 6.110 50 0 IKAARN COc1ccc(-n2c(C)c(-c3ccccc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000009435064 569534752 /nfs/dbraw/zinc/53/47/52/569534752.db2.gz IJIVPMDDECOTLO-UHFFFAOYSA-N 0 0 447.535 5.726 50 0 IKAARN O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccc(Br)cc2)n1 ZINC000009435176 569534788 /nfs/dbraw/zinc/53/47/88/569534788.db2.gz NTSXUKCUWHGJMX-UHFFFAOYSA-N 0 0 433.714 6.076 50 0 IKAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]c5ccc(F)cc45)c(C)c3cc12 ZINC000009435695 569534811 /nfs/dbraw/zinc/53/48/11/569534811.db2.gz HODWBABJJOJERI-UHFFFAOYSA-N 0 0 446.478 5.068 50 0 IKAARN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009439139 569535002 /nfs/dbraw/zinc/53/50/02/569535002.db2.gz OLBADTPIEBZCKA-UHFFFAOYSA-N 0 0 430.879 5.228 50 0 IKAARN CCc1ccccc1N(CC)C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12 ZINC000009438986 569535017 /nfs/dbraw/zinc/53/50/17/569535017.db2.gz HROUWTZZGORFAQ-UHFFFAOYSA-N 0 0 426.516 5.228 50 0 IKAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1c(Cl)cccc1C(F)(F)F ZINC000009441845 569535450 /nfs/dbraw/zinc/53/54/50/569535450.db2.gz IFXWUNIZRWAXGJ-UHFFFAOYSA-N 0 0 438.833 5.345 50 0 IKAARN CCc1nnc(SCc2nc(-c3cccs3)oc2C)c2cc3sc(C)cc3n21 ZINC000009442288 569535471 /nfs/dbraw/zinc/53/54/71/569535471.db2.gz NTDPNNSRCKYZBJ-UHFFFAOYSA-N 0 0 426.592 6.132 50 0 IKAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccco1 ZINC000009442104 569535498 /nfs/dbraw/zinc/53/54/98/569535498.db2.gz XRRHLAMUKVIUQC-NSHDSACASA-N 0 0 440.356 5.015 50 0 IKAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c(C)n1Cc1ccco1 ZINC000009442498 569535525 /nfs/dbraw/zinc/53/55/25/569535525.db2.gz RZKIVPMTBHXWTM-UHFFFAOYSA-N 0 0 426.929 5.160 50 0 IKAARN CCc1nnc(S[C@H](CC)C(=O)N(CC)c2ccccc2)c2cc3sc(C)cc3n21 ZINC000009442473 569535542 /nfs/dbraw/zinc/53/55/42/569535542.db2.gz RHHJTTNUSDVRJZ-LJQANCHMSA-N 0 0 438.622 5.739 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CCCCC2 ZINC000009444089 569535746 /nfs/dbraw/zinc/53/57/46/569535746.db2.gz AUBQXDFDOTWPTE-ZDUSSCGKSA-N 0 0 438.014 5.966 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2ccc(Cl)cc2)cc1 ZINC000009444034 569535762 /nfs/dbraw/zinc/53/57/62/569535762.db2.gz DHBLXJGGVBKVMC-FQEVSTJZSA-N 0 0 442.993 5.880 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000009444037 569535773 /nfs/dbraw/zinc/53/57/73/569535773.db2.gz MTLJANHVHZZEGO-FQEVSTJZSA-N 0 0 448.573 5.103 50 0 IKAARN Ic1cc2c([nH]c(-c3ccccc3)c2-c2ccccc2)c2ccccc12 ZINC000009444134 569535783 /nfs/dbraw/zinc/53/57/83/569535783.db2.gz ZGIUFNNORBFVFJ-UHFFFAOYSA-N 0 0 445.303 7.260 50 0 IKAARN Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1NC(=O)c1ccco1 ZINC000009446132 569535795 /nfs/dbraw/zinc/53/57/95/569535795.db2.gz BMZXHNPOAJJVJE-UHFFFAOYSA-N 0 0 445.544 5.470 50 0 IKAARN CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000009446075 569535819 /nfs/dbraw/zinc/53/58/19/569535819.db2.gz QKHDPNPOIHLIFG-ITYLOYPMSA-N 0 0 443.208 5.267 50 0 IKAARN CC1(C)Cc2cccc(OCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)c2O1 ZINC000009446560 569535927 /nfs/dbraw/zinc/53/59/27/569535927.db2.gz NUOAUXIPCFDJIQ-OAQYLSRUSA-N 0 0 425.575 5.076 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccco2)N1c1nc2ccc(Cl)cc2s1 ZINC000009449313 569536167 /nfs/dbraw/zinc/53/61/67/569536167.db2.gz UTIYMMCQUPSVPN-SFHVURJKSA-N 0 0 434.860 5.399 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)Cc1ccccc1 ZINC000009449941 569536280 /nfs/dbraw/zinc/53/62/80/569536280.db2.gz OWKAYZARBXYBHQ-UHFFFAOYSA-N 0 0 436.433 5.406 50 0 IKAARN Cn1c2ccccc2c(=O)c(-c2ccc(Cl)c(Cl)c2)c1NC(=O)C1CCCCC1 ZINC000009450555 569536285 /nfs/dbraw/zinc/53/62/85/569536285.db2.gz PTTZUXHIIAPPPZ-UHFFFAOYSA-N 0 0 429.347 6.031 50 0 IKAARN Cc1ccc([C@@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@H](C(C)C)C2)cc1 ZINC000009450799 569536311 /nfs/dbraw/zinc/53/63/11/569536311.db2.gz HWGMGUWZMIRCFG-UGKGYDQZSA-N 0 0 434.374 5.243 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000009451205 569536390 /nfs/dbraw/zinc/53/63/90/569536390.db2.gz UOSHISKRMFPCJC-GOSISDBHSA-N 0 0 427.243 5.146 50 0 IKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)no1 ZINC000009451793 569536442 /nfs/dbraw/zinc/53/64/42/569536442.db2.gz IZAPLNXTOJQRJG-LJQANCHMSA-N 0 0 441.270 5.454 50 0 IKAARN CCc1ccc(-c2noc(CSc3nnc([C@H](C)Oc4ccc(F)cc4)o3)n2)cc1 ZINC000009451716 569536459 /nfs/dbraw/zinc/53/64/59/569536459.db2.gz IABDTUPFUNYFMU-ZDUSSCGKSA-N 0 0 426.473 5.253 50 0 IKAARN Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@H]2c2ccc(C)cc2)no1 ZINC000009452254 569536516 /nfs/dbraw/zinc/53/65/16/569536516.db2.gz ZFMYNFJXYJLGLB-GOSISDBHSA-N 0 0 441.270 5.454 50 0 IKAARN CCN(CC)c1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009454597 569536657 /nfs/dbraw/zinc/53/66/57/569536657.db2.gz UCYIBMYJZPAQCY-UHFFFAOYSA-N 0 0 430.643 5.782 50 0 IKAARN CCc1ccccc1OCCCCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000009456767 569536705 /nfs/dbraw/zinc/53/67/05/569536705.db2.gz SAJYRBBEWCOGTR-UHFFFAOYSA-N 0 0 442.559 5.884 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2Cl)o1 ZINC000009458352 569536767 /nfs/dbraw/zinc/53/67/67/569536767.db2.gz UQMMHWCVYFSYTN-GHTZIAJQSA-N 0 0 443.728 6.246 50 0 IKAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000009459454 569536827 /nfs/dbraw/zinc/53/68/27/569536827.db2.gz KKLHEYRTIBRJLH-IADCTJSHSA-N 0 0 428.900 6.157 50 0 IKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3c(Cl)cccc3Cl)cc2oc1=O ZINC000009459654 569536831 /nfs/dbraw/zinc/53/68/31/569536831.db2.gz YWWJXAFJACZFTH-UHFFFAOYSA-N 0 0 441.694 5.356 50 0 IKAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000009459457 569536841 /nfs/dbraw/zinc/53/68/41/569536841.db2.gz KKLHEYRTIBRJLH-BTYSJIOQSA-N 0 0 428.900 6.157 50 0 IKAARN Cc1cc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)n2)c(C)n1C ZINC000009459927 569536874 /nfs/dbraw/zinc/53/68/74/569536874.db2.gz ZDKRDUOMXJLHDS-UHFFFAOYSA-N 0 0 434.569 5.221 50 0 IKAARN Cc1nnc(Sc2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c32)o1 ZINC000009459955 569536898 /nfs/dbraw/zinc/53/68/98/569536898.db2.gz JLDIEAQQEVGAOS-UHFFFAOYSA-N 0 0 434.999 6.096 50 0 IKAARN c1csc(C2=NN(c3nc4ccccc4c(-c4ccccc4)n3)[C@H](c3cccs3)C2)c1 ZINC000009461237 569537000 /nfs/dbraw/zinc/53/70/00/569537000.db2.gz HMUHETHOCWJLNG-NRFANRHFSA-N 0 0 438.581 6.776 50 0 IKAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009461452 569537064 /nfs/dbraw/zinc/53/70/64/569537064.db2.gz AWHFGVWQUUZLDE-UHFFFAOYSA-N 0 0 447.539 5.115 50 0 IKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)cc1 ZINC000009461551 569537078 /nfs/dbraw/zinc/53/70/78/569537078.db2.gz LGHFUJPWZRKJNJ-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)c1 ZINC000009461670 569537106 /nfs/dbraw/zinc/53/71/06/569537106.db2.gz LROVZOAGPFJGQA-IFMALSPDSA-N 0 0 436.309 5.095 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000009461478 569537110 /nfs/dbraw/zinc/53/71/10/569537110.db2.gz DNKGTRFIQJGZEG-UHFFFAOYSA-N 0 0 449.554 5.537 50 0 IKAARN CCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 ZINC000009461948 569537156 /nfs/dbraw/zinc/53/71/56/569537156.db2.gz NIESRYGYRRACQR-AWEZNQCLSA-N 0 0 432.952 5.575 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009461918 569537164 /nfs/dbraw/zinc/53/71/64/569537164.db2.gz PIOHOGWQWQBQPL-OAHLLOKOSA-N 0 0 435.480 5.787 50 0 IKAARN CCn1c2ccccc2c2cc(-n3c(-c4ccco4)nc4nc5ccccc5nc43)ccc21 ZINC000009462128 569537264 /nfs/dbraw/zinc/53/72/64/569537264.db2.gz BUXFELRPEYXDFG-UHFFFAOYSA-N 0 0 429.483 6.357 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)cc1 ZINC000009462682 569537277 /nfs/dbraw/zinc/53/72/77/569537277.db2.gz MFSGSBQMJYAGOJ-PZJWPPBQSA-N 0 0 440.728 5.740 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000009462679 569537286 /nfs/dbraw/zinc/53/72/86/569537286.db2.gz QMZHCUJTIRSKRA-UHFFFAOYSA-N 0 0 430.592 6.109 50 0 IKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000009462560 569537299 /nfs/dbraw/zinc/53/72/99/569537299.db2.gz VVGUEVNRMZUTLF-UHFFFAOYSA-N 0 0 446.934 5.736 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)cc1 ZINC000009462684 569537306 /nfs/dbraw/zinc/53/73/06/569537306.db2.gz MFSGSBQMJYAGOJ-FPOVZHCZSA-N 0 0 440.728 5.740 50 0 IKAARN Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1NC(=O)c1ccco1 ZINC000009463390 569537472 /nfs/dbraw/zinc/53/74/72/569537472.db2.gz DOHWFHAAQUEEDI-QFIPXVFZSA-N 0 0 448.569 5.751 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000009463403 569537492 /nfs/dbraw/zinc/53/74/92/569537492.db2.gz PODGGGBDVLPPGX-SNVBAGLBSA-N 0 0 439.393 5.768 50 0 IKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)c1 ZINC000009463509 569537494 /nfs/dbraw/zinc/53/74/94/569537494.db2.gz JCNBIHRBTGJMQT-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2)cc1OC ZINC000009463896 569537575 /nfs/dbraw/zinc/53/75/75/569537575.db2.gz GWHCNSHBAGZAMQ-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 ZINC000009464035 569537589 /nfs/dbraw/zinc/53/75/89/569537589.db2.gz HXMVYPCJCRRKMB-UHFFFAOYSA-N 0 0 433.533 5.099 50 0 IKAARN COc1ccc(-c2cc(-c3cc(C)ccc3C)nc3sc(C(C)=O)c(N)c32)cc1OC ZINC000009464092 569537631 /nfs/dbraw/zinc/53/76/31/569537631.db2.gz WCUCLOFGLMRZGE-UHFFFAOYSA-N 0 0 432.545 6.049 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N[C@H](C)c3cccs3)nnc2-c2ccccc2)cc1 ZINC000009464369 569537661 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COc1ccc(-n2cc(-c3ccc(C)cc3)nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000009529391 569544814 /nfs/dbraw/zinc/54/48/14/569544814.db2.gz UYWZFQCBKSNCAW-UHFFFAOYSA-N 0 0 443.572 5.896 50 0 IKAARN Cc1ccc(C)c(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000009529442 569544847 /nfs/dbraw/zinc/54/48/47/569544847.db2.gz KCBBACXPTUNNNP-UHFFFAOYSA-N 0 0 431.536 6.026 50 0 IKAARN Cc1cc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)n(-c2ccccc2)n1 ZINC000009531209 569545070 /nfs/dbraw/zinc/54/50/70/569545070.db2.gz LBYOVJZUSBOSAS-UHFFFAOYSA-N 0 0 441.487 5.140 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCCSc2nc3ccccc3s2)c1 ZINC000009531041 569545103 /nfs/dbraw/zinc/54/51/03/569545103.db2.gz OYZKZSMJLKWMDU-IBGZPJMESA-N 0 0 442.606 5.550 50 0 IKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]CCCc3ccccc3)c2C(=O)[O-])cc1 ZINC000009531445 569545120 /nfs/dbraw/zinc/54/51/20/569545120.db2.gz JKAITHOCNZVDSE-UHFFFAOYSA-N 0 0 428.532 5.119 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000009531339 569545166 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434.580 5.907 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3nc4ccccc4s3)cs2)cc1OC ZINC000009532258 569545259 /nfs/dbraw/zinc/54/52/59/569545259.db2.gz ANQHBLJYVGEZNA-GOSISDBHSA-N 0 0 437.590 5.774 50 0 IKAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]CCC3=CCCCC3)c2C(=O)[O-])cc1 ZINC000009532326 569545262 /nfs/dbraw/zinc/54/52/62/569545262.db2.gz CVDOVLGGDIPITR-UHFFFAOYSA-N 0 0 448.563 5.385 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+]CCCc1ccccc1 ZINC000009532375 569545291 /nfs/dbraw/zinc/54/52/91/569545291.db2.gz PJAUQDVDCYFVOM-UHFFFAOYSA-N 0 0 442.559 5.427 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(F)cc1Cl)c(C(=O)[O-])c2C[NH2+]C1CCCC1 ZINC000009532117 569545295 /nfs/dbraw/zinc/54/52/95/569545295.db2.gz USYLNYYMUHDMBF-UHFFFAOYSA-N 0 0 430.907 5.221 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000009532409 569545316 /nfs/dbraw/zinc/54/53/16/569545316.db2.gz CZRYRMISVAOEBW-YDIMBITNSA-N 0 0 434.580 5.619 50 0 IKAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3cccc(C)c3)c2C(=O)[O-])cc1 ZINC000009532276 569545325 /nfs/dbraw/zinc/54/53/25/569545325.db2.gz OTSRHBFJOJJCLV-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+]Cc1ccc(C)cc1 ZINC000009532371 569545333 /nfs/dbraw/zinc/54/53/33/569545333.db2.gz HHVKQZNIKOTVBU-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN COc1ccccc1CC[NH2+]Cc1c2ccc(C)cc2n(Cc2ccc(C)cc2)c1C(=O)[O-] ZINC000009533001 569545421 /nfs/dbraw/zinc/54/54/21/569545421.db2.gz PQWXCSOKDFCKDX-UHFFFAOYSA-N 0 0 442.559 5.346 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1OC ZINC000009532928 569545445 /nfs/dbraw/zinc/54/54/45/569545445.db2.gz DNISPUVBNCFTRM-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN Cc1ccc(C)c(-c2nn([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)c(=O)c3ccccc32)c1 ZINC000009535130 569545484 /nfs/dbraw/zinc/54/54/84/569545484.db2.gz RNDVDWSQZYBRSK-VQTJNVASSA-N 0 0 437.543 5.219 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000009534884 569545497 /nfs/dbraw/zinc/54/54/97/569545497.db2.gz ORGQKENKULQJKV-JOCHJYFZSA-N 0 0 447.535 5.391 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000009534878 569545508 /nfs/dbraw/zinc/54/55/08/569545508.db2.gz ORGQKENKULQJKV-QFIPXVFZSA-N 0 0 447.535 5.391 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccc(Cl)cc4o3)cs2)cc1 ZINC000009535776 569545551 /nfs/dbraw/zinc/54/55/51/569545551.db2.gz VUGRMRGUQLZLKB-UHFFFAOYSA-N 0 0 429.954 5.720 50 0 IKAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000009536335 569545598 /nfs/dbraw/zinc/54/55/98/569545598.db2.gz ALVCOJZWERXKFF-UHFFFAOYSA-N 0 0 427.529 5.271 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009540401 569545774 /nfs/dbraw/zinc/54/57/74/569545774.db2.gz MAPWYVCDDIKJPQ-JOCHJYFZSA-N 0 0 432.951 5.098 50 0 IKAARN COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc21 ZINC000009541562 569545914 /nfs/dbraw/zinc/54/59/14/569545914.db2.gz STYJWJLQRJEFCO-UHFFFAOYSA-N 0 0 445.569 6.070 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000009544420 569546002 /nfs/dbraw/zinc/54/60/02/569546002.db2.gz OMTMGDAIUPDMLS-UHFFFAOYSA-N 0 0 430.533 5.136 50 0 IKAARN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 ZINC000009544694 569546020 /nfs/dbraw/zinc/54/60/20/569546020.db2.gz FKROUVZJSQVKPV-UHFFFAOYSA-N 0 0 437.536 5.050 50 0 IKAARN COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)s2)cc1 ZINC000009545277 569546083 /nfs/dbraw/zinc/54/60/83/569546083.db2.gz XZCMMIHCHLSZNI-UHFFFAOYSA-N 0 0 448.573 5.688 50 0 IKAARN COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000009545421 569546145 /nfs/dbraw/zinc/54/61/45/569546145.db2.gz MKHQNCCBTZFXJH-UHFFFAOYSA-N 0 0 442.874 5.066 50 0 IKAARN O=C(c1ccc(COc2ccccc2)o1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000009545483 569546168 /nfs/dbraw/zinc/54/61/68/569546168.db2.gz HAXOZCRSFFTSKK-SFHVURJKSA-N 0 0 434.517 5.294 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000009545875 569546177 /nfs/dbraw/zinc/54/61/77/569546177.db2.gz YBKBGOYAIFXNQX-GOSISDBHSA-N 0 0 426.545 5.175 50 0 IKAARN CCc1cccc2c(C(=O)[C@@H](Sc3nnc(C4CC4)n3C3CC3)c3ccccc3)c[nH]c21 ZINC000009548734 569546505 /nfs/dbraw/zinc/54/65/05/569546505.db2.gz WXFWPAQFXRORDW-DEOSSOPVSA-N 0 0 442.588 6.250 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000009549294 569546602 /nfs/dbraw/zinc/54/66/02/569546602.db2.gz POVHLGIIBZWNMC-UHFFFAOYSA-N 0 0 426.925 5.332 50 0 IKAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009549912 569546701 /nfs/dbraw/zinc/54/67/01/569546701.db2.gz DWCFMRDRZAJPFP-NRFANRHFSA-N 0 0 439.537 5.106 50 0 IKAARN Nc1cccc(-c2nc3cc(Oc4ccc5[nH]c(-c6cccc(N)c6)nc5c4)ccc3[nH]2)c1 ZINC000009553669 569546718 /nfs/dbraw/zinc/54/67/18/569546718.db2.gz ZSCKIOPWUGLXOL-UHFFFAOYSA-N 0 0 432.487 5.730 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009556566 569546857 /nfs/dbraw/zinc/54/68/57/569546857.db2.gz CAIGJJCKXNGBHG-OAQYLSRUSA-N 0 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Fc1ccc([C@@H](Nc2cccc3c2CCCC3)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009561397 569547115 /nfs/dbraw/zinc/54/71/15/569547115.db2.gz YHBOGNMHRGQBRC-HSZRJFAPSA-N 0 0 433.914 6.609 50 0 IKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(=O)NCc3ccccc3)c2)n1 ZINC000009561329 569547127 /nfs/dbraw/zinc/54/71/27/569547127.db2.gz SODOTHUJIMDISR-UHFFFAOYSA-N 0 0 448.530 5.106 50 0 IKAARN COc1ccc2nc3sc(C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3cc2c1 ZINC000009561535 569547147 /nfs/dbraw/zinc/54/71/47/569547147.db2.gz QXQPQGRMYJSDQW-UHFFFAOYSA-N 0 0 426.497 6.503 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000009561728 569547153 /nfs/dbraw/zinc/54/71/53/569547153.db2.gz ZOECGRLOSPLDHD-VWLOTQADSA-N 0 0 449.558 5.138 50 0 IKAARN COc1ccc2cc3cc(C(=O)N(C)c4ccc(Br)cc4)sc3nc2c1 ZINC000009561517 569547161 /nfs/dbraw/zinc/54/71/61/569547161.db2.gz BONGASJGWSOUNF-UHFFFAOYSA-N 0 0 427.323 5.497 50 0 IKAARN CCOc1ccc(CCNC(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1OCC ZINC000009561507 569547165 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CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)cc1 ZINC000009569640 569547627 /nfs/dbraw/zinc/54/76/27/569547627.db2.gz OUVPNTFQDCDYFT-UHFFFAOYSA-N 0 0 434.565 5.478 50 0 IKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(Br)c4)sc3n2)cc1 ZINC000009569656 569547653 /nfs/dbraw/zinc/54/76/53/569547653.db2.gz CXRQXQPPYFMFGA-UHFFFAOYSA-N 0 0 442.338 5.395 50 0 IKAARN C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000009570691 569547680 /nfs/dbraw/zinc/54/76/80/569547680.db2.gz CARBUIZCQBOXST-KRWDZBQOSA-N 0 0 448.979 5.631 50 0 IKAARN Cc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000009572641 569547787 /nfs/dbraw/zinc/54/77/87/569547787.db2.gz AJLGSTQUWRWCFT-UHFFFAOYSA-N 0 0 425.893 5.223 50 0 IKAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000009573410 569547873 /nfs/dbraw/zinc/54/78/73/569547873.db2.gz GKVWOXGHBSSMQR-UHFFFAOYSA-N 0 0 443.473 5.646 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(CC)CC)n3)cc2)cc1 ZINC000009573429 569547875 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/nfs/dbraw/zinc/55/19/37/569551937.db2.gz YOXJYHHNHBKWEW-HXUWFJFHSA-N 0 0 439.558 5.010 50 0 IKAARN CCCN(C(=O)Nc1ccc(CC)cc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606782 569551951 /nfs/dbraw/zinc/55/19/51/569551951.db2.gz NPZKCVJGTNNWEU-UHFFFAOYSA-N 0 0 444.398 6.584 50 0 IKAARN CCCN(C(=O)c1cc(OC)ccc1Br)c1nc(-c2ccccc2)cs1 ZINC000009606728 569551959 /nfs/dbraw/zinc/55/19/59/569551959.db2.gz HHBADCFOPOPJHT-UHFFFAOYSA-N 0 0 431.355 5.638 50 0 IKAARN CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606751 569551991 /nfs/dbraw/zinc/55/19/91/569551991.db2.gz KPIJTUUPAHVEQL-UHFFFAOYSA-N 0 0 447.354 5.257 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl ZINC000009607210 569552007 /nfs/dbraw/zinc/55/20/07/569552007.db2.gz CEYIYXHTWUWYOJ-VWLOTQADSA-N 0 0 447.966 5.245 50 0 IKAARN CCOc1cc(C(=O)N(CC)c2nc(-c3ccccc3)cs2)cc(OCC)c1OCC ZINC000009606968 569552027 /nfs/dbraw/zinc/55/20/27/569552027.db2.gz SAGFZEMYZXRNNB-UHFFFAOYSA-N 0 0 440.565 5.673 50 0 IKAARN CCN(C(=O)Nc1cc(C)cc(C)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607146 569552036 /nfs/dbraw/zinc/55/20/36/569552036.db2.gz VGNZFCVSFBFHDE-UHFFFAOYSA-N 0 0 433.621 7.533 50 0 IKAARN Cc1ccc(NC(=O)[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl ZINC000009607206 569552046 /nfs/dbraw/zinc/55/20/46/569552046.db2.gz CEYIYXHTWUWYOJ-RUZDIDTESA-N 0 0 447.966 5.245 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Sc2ccc(C)cc21 ZINC000009608116 569552106 /nfs/dbraw/zinc/55/21/06/569552106.db2.gz RINKPQXKHJTEGZ-UHFFFAOYSA-N 0 0 434.992 6.964 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCCc3ccc(SC)cc3)ccc2Sc2ccccc21 ZINC000009608395 569552136 /nfs/dbraw/zinc/55/21/36/569552136.db2.gz UDJGSIRFGYLOAI-UHFFFAOYSA-N 0 0 446.641 6.767 50 0 IKAARN COc1ccc(COC(=O)C2C(C)=Nc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000009608720 569552175 /nfs/dbraw/zinc/55/21/75/569552175.db2.gz HZYMUEOEMKAROS-DEOSSOPVSA-N 0 0 425.488 5.077 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccc(C)cc1 ZINC000009608647 569552208 /nfs/dbraw/zinc/55/22/08/569552208.db2.gz KNERVWUJWWJGGT-OAQYLSRUSA-N 0 0 434.565 5.039 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000009609003 569552260 /nfs/dbraw/zinc/55/22/60/569552260.db2.gz XYCMARABWCGIGC-VWLOTQADSA-N 0 0 444.600 5.707 50 0 IKAARN CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2[C@H]1Nc1ccccc1CC ZINC000009609080 569552268 /nfs/dbraw/zinc/55/22/68/569552268.db2.gz BJZOMHHGVCSXAU-SANMLTNESA-N 0 0 441.575 6.040 50 0 IKAARN CCCN1C(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2[C@@H]1Nc1ccc(C)cc1C ZINC000009609077 569552279 /nfs/dbraw/zinc/55/22/79/569552279.db2.gz OVOMJLLOAYFHCU-AREMUKBSSA-N 0 0 441.575 6.149 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)N[C@H](C)c3cccs3)c2C)c1-c1ccc(F)cc1 ZINC000009609425 569552292 /nfs/dbraw/zinc/55/22/92/569552292.db2.gz BBUYOVVUADPSAO-OAHLLOKOSA-N 0 0 436.556 5.332 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccccc3Cl)c2C)c1-c1ccc(F)cc1 ZINC000009609343 569552314 /nfs/dbraw/zinc/55/23/14/569552314.db2.gz IWJGKFYIZZZBSQ-UHFFFAOYSA-N 0 0 436.918 5.685 50 0 IKAARN COc1cccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1 ZINC000009609357 569552337 /nfs/dbraw/zinc/55/23/37/569552337.db2.gz NYSQZQXBEYKYKV-UHFFFAOYSA-N 0 0 432.499 5.041 50 0 IKAARN Cc1cc(C)c(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)c(C)c1 ZINC000009609646 569552356 /nfs/dbraw/zinc/55/23/56/569552356.db2.gz SESPRGOPGRNGJT-UHFFFAOYSA-N 0 0 430.527 5.649 50 0 IKAARN CCc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C ZINC000009609466 569552371 /nfs/dbraw/zinc/55/23/71/569552371.db2.gz SZDLEBQFRNYKRI-UHFFFAOYSA-N 0 0 432.955 5.800 50 0 IKAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000009609624 569552373 /nfs/dbraw/zinc/55/23/73/569552373.db2.gz VCENEFCEXBGXKL-UHFFFAOYSA-N 0 0 436.918 5.685 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000009609557 569552376 /nfs/dbraw/zinc/55/23/76/569552376.db2.gz FNBCNDMJMRJAQR-UHFFFAOYSA-N 0 0 436.987 5.606 50 0 IKAARN CCOc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C ZINC000009609515 569552383 /nfs/dbraw/zinc/55/23/83/569552383.db2.gz RABGQPBJBLRQPR-UHFFFAOYSA-N 0 0 448.954 5.637 50 0 IKAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N[C@H](C)c1cccs1 ZINC000009609577 569552394 /nfs/dbraw/zinc/55/23/94/569552394.db2.gz AIRTZBSKDSPQPF-OAHLLOKOSA-N 0 0 438.984 5.538 50 0 IKAARN CCc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)cc1 ZINC000009609754 569552416 /nfs/dbraw/zinc/55/24/16/569552416.db2.gz NVBPKPBXCXQMBD-UHFFFAOYSA-N 0 0 428.536 5.155 50 0 IKAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c(C)n2n1 ZINC000009609823 569552423 /nfs/dbraw/zinc/55/24/23/569552423.db2.gz KBTBQWXOPRXODZ-UHFFFAOYSA-N 0 0 428.536 5.210 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCc3nc(-c4cccs4)no3)ccc2OC)cc1 ZINC000009610078 569552467 /nfs/dbraw/zinc/55/24/67/569552467.db2.gz BDJAREUSMMRRAR-UHFFFAOYSA-N 0 0 435.505 5.054 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N(C)Cc3ccccc3)c(C)c12 ZINC000009610273 569552514 /nfs/dbraw/zinc/55/25/14/569552514.db2.gz YARUNMSNDBJBCT-UHFFFAOYSA-N 0 0 440.591 5.554 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c(C)c12 ZINC000009610275 569552531 /nfs/dbraw/zinc/55/25/31/569552531.db2.gz XOMUADHSJVSQEG-UHFFFAOYSA-N 0 0 446.982 6.187 50 0 IKAARN CCn1c(=O)c2cc(C(=O)Nc3ccc(Br)cc3C)sc2c2ccccc21 ZINC000009611103 569552692 /nfs/dbraw/zinc/55/26/92/569552692.db2.gz GVYFZYCYLRJQSJ-UHFFFAOYSA-N 0 0 441.350 5.559 50 0 IKAARN COc1ccc(Cn2c(CCC(=O)Nc3ccc(C)c(Cl)c3)nc3cccnc32)cc1 ZINC000009611503 569552723 /nfs/dbraw/zinc/55/27/23/569552723.db2.gz UTTDDUCILSANRN-UHFFFAOYSA-N 0 0 434.927 5.021 50 0 IKAARN CCn1c(=O)c2cc(C(=O)N(C)c3ccc(Br)cc3)sc2c2ccccc21 ZINC000009611114 569552743 /nfs/dbraw/zinc/55/27/43/569552743.db2.gz WGRHPIKHXNOXBT-UHFFFAOYSA-N 0 0 441.350 5.275 50 0 IKAARN COc1cc(OC)c(N(C)C(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1Cl ZINC000009611175 569552745 /nfs/dbraw/zinc/55/27/45/569552745.db2.gz MMPDXLQOIMURQK-UHFFFAOYSA-N 0 0 443.908 5.263 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1ccc(Cl)c(Cl)c1 ZINC000009611182 569552764 /nfs/dbraw/zinc/55/27/64/569552764.db2.gz WUPXPTXBJNGNSP-UHFFFAOYSA-N 0 0 446.355 6.680 50 0 IKAARN Cc1cc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)ccc1Br ZINC000009612098 569552777 /nfs/dbraw/zinc/55/27/77/569552777.db2.gz IVRGKAMDIACCMD-IBGZPJMESA-N 0 0 428.717 5.577 50 0 IKAARN CCN(CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)c1cccc(C)c1 ZINC000009611674 569552785 /nfs/dbraw/zinc/55/27/85/569552785.db2.gz QRPRHPHSHZHGRE-UHFFFAOYSA-N 0 0 435.999 5.722 50 0 IKAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)Nc1ccc2c(c1)OCCO2 ZINC000009612210 569552846 /nfs/dbraw/zinc/55/28/46/569552846.db2.gz AWKXMNKXYHDIFZ-UHFFFAOYSA-N 0 0 440.952 5.269 50 0 IKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000009613599 569553027 /nfs/dbraw/zinc/55/30/27/569553027.db2.gz DKBFBCZURUSEAR-HXUWFJFHSA-N 0 0 431.542 5.405 50 0 IKAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(C)ccc3C)c2=O)CCCC4)cc1 ZINC000009615369 569553197 /nfs/dbraw/zinc/55/31/97/569553197.db2.gz USUHULMANBKFOU-UHFFFAOYSA-N 0 0 444.600 5.320 50 0 IKAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(C)n2-c2ccccc2)c2ccccc2)c1 ZINC000009615683 569553258 /nfs/dbraw/zinc/55/32/58/569553258.db2.gz VGPZSONKARCIAJ-QFIPXVFZSA-N 0 0 430.533 5.056 50 0 IKAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)s1 ZINC000009616693 569553274 /nfs/dbraw/zinc/55/32/74/569553274.db2.gz LMGZIHNCXHGXPW-UHFFFAOYSA-N 0 0 438.937 5.204 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1)c1ccccc1 ZINC000009616758 569553291 /nfs/dbraw/zinc/55/32/91/569553291.db2.gz KIBRDLXVQFAVHB-UHFFFAOYSA-N 0 0 444.560 5.088 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000009619735 569553413 /nfs/dbraw/zinc/55/34/13/569553413.db2.gz WCIGATJNQZHVNV-UHFFFAOYSA-N 0 0 438.940 5.136 50 0 IKAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000009619934 569553421 /nfs/dbraw/zinc/55/34/21/569553421.db2.gz HRJJOWSSYLATPI-DEOSSOPVSA-N 0 0 447.629 5.443 50 0 IKAARN Cc1csc(SCc2ccccc2C(=O)OCc2nnc(-c3cccs3)o2)n1 ZINC000009623119 569553501 /nfs/dbraw/zinc/55/35/01/569553501.db2.gz CKXMTSSKKRXFQD-UHFFFAOYSA-N 0 0 429.548 5.212 50 0 IKAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000009627885 569553561 /nfs/dbraw/zinc/55/35/61/569553561.db2.gz RXJZVAYDZYXGCW-UHFFFAOYSA-N 0 0 439.846 5.249 50 0 IKAARN C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000009630849 569553690 /nfs/dbraw/zinc/55/36/90/569553690.db2.gz KGRJGMJGHMWSNO-ZJRYTYELSA-N 0 0 443.012 5.989 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1OC ZINC000009631734 569553823 /nfs/dbraw/zinc/55/38/23/569553823.db2.gz TUWMYEHOSLYRSQ-UHFFFAOYSA-N 0 0 449.507 5.184 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1-c1ccc(C)cc1 ZINC000009631711 569553828 /nfs/dbraw/zinc/55/38/28/569553828.db2.gz LKBAEUFMDYWPOP-UHFFFAOYSA-N 0 0 444.560 5.006 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)NCCC2=CCCCC2)n1-c1ccccc1 ZINC000009631867 569553859 /nfs/dbraw/zinc/55/38/59/569553859.db2.gz HFUATCWTARECGN-UHFFFAOYSA-N 0 0 448.592 5.042 50 0 IKAARN COc1ccc(-c2nnc(SCc3cc(=O)oc4cc(C)ccc34)n2CC(C)C)cc1 ZINC000009632490 569554043 /nfs/dbraw/zinc/55/40/43/569554043.db2.gz SSBDZXZPMIFAIK-UHFFFAOYSA-N 0 0 435.549 5.317 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000009632546 569554044 /nfs/dbraw/zinc/55/40/44/569554044.db2.gz HDQNCNALMFDYLD-UHFFFAOYSA-N 0 0 444.944 5.519 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000009634538 569554431 /nfs/dbraw/zinc/55/44/31/569554431.db2.gz XQIDNSZCHVDMAS-UHFFFAOYSA-N 0 0 436.511 5.547 50 0 IKAARN CCn1c2ccccc2c(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c1-c1ccccc1 ZINC000009635354 569554705 /nfs/dbraw/zinc/55/47/05/569554705.db2.gz DMCMNOAXTCRLRJ-UHFFFAOYSA-N 0 0 426.303 5.075 50 0 IKAARN CCCN(C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)c1ccccc1OCC ZINC000009636839 569554728 /nfs/dbraw/zinc/55/47/28/569554728.db2.gz JIRSZQSUYGPPPP-UHFFFAOYSA-N 0 0 427.500 5.916 50 0 IKAARN Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccco4)c12)CC/C3=C\c1ccco1 ZINC000009636681 569554740 /nfs/dbraw/zinc/55/47/40/569554740.db2.gz WFUFXXFHWFGPEC-JQIJEIRASA-N 0 0 438.508 6.449 50 0 IKAARN CN(C)c1ccc(C(=O)N(C(=O)c2ccc(N(C)C)cc2)c2ccc(F)c(Cl)c2)cc1 ZINC000009635951 569554747 /nfs/dbraw/zinc/55/47/47/569554747.db2.gz QDKLBEWGXLUXRV-UHFFFAOYSA-N 0 0 439.918 5.098 50 0 IKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000009683077 569560289 /nfs/dbraw/zinc/56/02/89/569560289.db2.gz LNOUQVVMWUOSMI-UHFFFAOYSA-N 0 0 429.364 6.372 50 0 IKAARN Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccc(C(C)C)cc1 ZINC000009638311 569554962 /nfs/dbraw/zinc/55/49/62/569554962.db2.gz VGXLKSSRVKVVQG-UHFFFAOYSA-N 0 0 438.944 5.123 50 0 IKAARN O=C1c2ccccc2[C@@H](Nc2c(F)c(F)c(F)c(F)c2F)N1c1ccc(Cl)cn1 ZINC000009638293 569554992 /nfs/dbraw/zinc/55/49/92/569554992.db2.gz SPEOJHNDJLLIJW-SFHVURJKSA-N 0 0 425.744 5.202 50 0 IKAARN COc1cc(OC)c(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1Cl ZINC000009638275 569554994 /nfs/dbraw/zinc/55/49/94/569554994.db2.gz UIWOBUCHBIHHSX-HXUWFJFHSA-N 0 0 430.291 5.177 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2F)cc1 ZINC000009638259 569555005 /nfs/dbraw/zinc/55/50/05/569555005.db2.gz JOTJUWFZNYMXGC-FQEVSTJZSA-N 0 0 442.288 5.153 50 0 IKAARN O=C1c2ccccc2[C@H](Nc2ccc(Br)cc2F)N1c1ccc(Cl)cc1 ZINC000009638829 569555053 /nfs/dbraw/zinc/55/50/53/569555053.db2.gz NKTJRQSHYFDFGE-LJQANCHMSA-N 0 0 431.692 6.013 50 0 IKAARN C[C@@H](Sc1nnc(C2CCCCC2)o1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009638938 569555070 /nfs/dbraw/zinc/55/50/70/569555070.db2.gz CGXIZDZLVOWORV-LLVKDONJSA-N 0 0 444.607 5.997 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1sc2ccccc2c1Cl ZINC000009639987 569555248 /nfs/dbraw/zinc/55/52/48/569555248.db2.gz PDMZUJRUYZHNBA-UHFFFAOYSA-N 0 0 428.922 5.702 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)no1 ZINC000009640192 569555316 /nfs/dbraw/zinc/55/53/16/569555316.db2.gz KBPGEGVGMHFSAL-UHFFFAOYSA-N 0 0 430.529 6.107 50 0 IKAARN COC(=O)c1c(SCc2ccccc2C)nc2ccccc2c1OCc1ccc(C)cc1 ZINC000009640141 569555349 /nfs/dbraw/zinc/55/53/49/569555349.db2.gz UABLWTSJAAASTO-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN COC(=O)c1c(SCc2cc(C)ccc2C)nc2ccccc2c1OCc1ccccc1 ZINC000009640496 569555372 /nfs/dbraw/zinc/55/53/72/569555372.db2.gz AECIXBURRPKUMZ-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000009642742 569555836 /nfs/dbraw/zinc/55/58/36/569555836.db2.gz DUTANCZVTSNLSH-UHFFFAOYSA-N 0 0 447.966 6.204 50 0 IKAARN NC(=O)C1CCN(C(=O)c2cc(-c3ccc(C4CCCCC4)cc3)nc3ccccc32)CC1 ZINC000009643195 569555906 /nfs/dbraw/zinc/55/59/06/569555906.db2.gz GTVFEUKMMRCBDJ-UHFFFAOYSA-N 0 0 441.575 5.287 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCc1ccccc1F ZINC000009642884 569555917 /nfs/dbraw/zinc/55/59/17/569555917.db2.gz JJVLFZUGDLWICC-UHFFFAOYSA-N 0 0 431.511 5.059 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCc1ccc(F)cc1 ZINC000009642803 569555925 /nfs/dbraw/zinc/55/59/25/569555925.db2.gz OIARJPHRRNDZCC-UHFFFAOYSA-N 0 0 431.511 5.059 50 0 IKAARN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000009644061 569555954 /nfs/dbraw/zinc/55/59/54/569555954.db2.gz VDNYJXBMOBDQHB-OCCSQVGLSA-N 0 0 428.048 5.588 50 0 IKAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000009643468 569555983 /nfs/dbraw/zinc/55/59/83/569555983.db2.gz OIXNCAKFYSPJJP-JOCHJYFZSA-N 0 0 444.535 5.185 50 0 IKAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000009644068 569555996 /nfs/dbraw/zinc/55/59/96/569555996.db2.gz VDNYJXBMOBDQHB-JSGCOSHPSA-N 0 0 428.048 5.588 50 0 IKAARN CCOc1cc(Br)c(CSc2nnc(-c3ccccc3)o2)cc1OCC ZINC000009644190 569556016 /nfs/dbraw/zinc/55/60/16/569556016.db2.gz CIYMHVAIEUKGRT-UHFFFAOYSA-N 0 0 435.343 5.589 50 0 IKAARN Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)s1 ZINC000009644078 569556038 /nfs/dbraw/zinc/55/60/38/569556038.db2.gz ZUAJPXPBWJQOSU-UHFFFAOYSA-N 0 0 430.938 5.036 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CCCc3nc4ccccc4s3)n2)cc1OC ZINC000009645683 569556157 /nfs/dbraw/zinc/55/61/57/569556157.db2.gz FBQFVIPIXBYHQU-UHFFFAOYSA-N 0 0 439.562 5.398 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)n1Cc1ccccc1 ZINC000009647152 569556394 /nfs/dbraw/zinc/55/63/94/569556394.db2.gz VOCODXFVFRYVKL-QFIPXVFZSA-N 0 0 444.560 5.007 50 0 IKAARN CN(C)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 ZINC000009647772 569556431 /nfs/dbraw/zinc/55/64/31/569556431.db2.gz RVJTVNDESUUXMA-QFIPXVFZSA-N 0 0 446.551 5.054 50 0 IKAARN Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3Br)ccc2o1 ZINC000009660231 569556666 /nfs/dbraw/zinc/55/66/66/569556666.db2.gz ATLKTUYKFJKQTI-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 ZINC000009659769 569556676 /nfs/dbraw/zinc/55/66/76/569556676.db2.gz UJPURPALXZVUJK-UHFFFAOYSA-N 0 0 433.504 5.249 50 0 IKAARN Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(Br)cc3)ccc2o1 ZINC000009660228 569556678 /nfs/dbraw/zinc/55/66/78/569556678.db2.gz DJLMTNJMSVSRKU-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN Cc1c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659935 569556682 /nfs/dbraw/zinc/55/66/82/569556682.db2.gz ADAGXFDQIUJUCY-UHFFFAOYSA-N 0 0 439.298 6.923 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000009660239 569556688 /nfs/dbraw/zinc/55/66/88/569556688.db2.gz MLNYINZFXGLCGV-UHFFFAOYSA-N 0 0 441.527 6.409 50 0 IKAARN Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)c1 ZINC000009660229 569556703 /nfs/dbraw/zinc/55/67/03/569556703.db2.gz UXXIOCZXYPTCEG-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 ZINC000009660256 569556728 /nfs/dbraw/zinc/55/67/28/569556728.db2.gz QBBZUQLFHKVAQL-QYQHSDTDSA-N 0 0 440.286 5.625 50 0 IKAARN CCCC(CCC)C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000009661280 569557032 /nfs/dbraw/zinc/55/70/32/569557032.db2.gz HTWPHVNIJQVCSY-UHFFFAOYSA-N 0 0 445.571 5.081 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CCc1ccccc1 ZINC000009662737 569557134 /nfs/dbraw/zinc/55/71/34/569557134.db2.gz FPLYEPXMXJJYQY-UHFFFAOYSA-N 0 0 428.941 5.021 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000009663531 569557258 /nfs/dbraw/zinc/55/72/58/569557258.db2.gz PQXZCBMYZOXIAS-UHFFFAOYSA-N 0 0 442.298 5.328 50 0 IKAARN CCOc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000009663712 569557259 /nfs/dbraw/zinc/55/72/59/569557259.db2.gz YAONJTXORILWRM-UHFFFAOYSA-N 0 0 442.924 5.074 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc(=O)oc2c1 ZINC000009663865 569557299 /nfs/dbraw/zinc/55/72/99/569557299.db2.gz CKQYLQCEDUBJDY-UHFFFAOYSA-N 0 0 425.513 5.641 50 0 IKAARN Cc1cccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)c1C ZINC000009663903 569557305 /nfs/dbraw/zinc/55/73/05/569557305.db2.gz UKYIIKPTXKCIMY-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN CCc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000009663896 569557314 /nfs/dbraw/zinc/55/73/14/569557314.db2.gz CEQVCIXTQNSZNN-UHFFFAOYSA-N 0 0 426.925 5.238 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1C ZINC000009663829 569557321 /nfs/dbraw/zinc/55/73/21/569557321.db2.gz NMPNGYUPZLQAQK-UHFFFAOYSA-N 0 0 436.577 5.388 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)ccc1Cl ZINC000009663780 569557329 /nfs/dbraw/zinc/55/73/29/569557329.db2.gz AVPRTVABZVXICT-UHFFFAOYSA-N 0 0 425.366 5.188 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c1 ZINC000009664155 569557339 /nfs/dbraw/zinc/55/73/39/569557339.db2.gz XMJZFBDWEGJFJF-UHFFFAOYSA-N 0 0 448.979 5.686 50 0 IKAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1 ZINC000009663973 569557344 /nfs/dbraw/zinc/55/73/44/569557344.db2.gz XRQIHTRQYBSWEH-UHFFFAOYSA-N 0 0 433.316 5.329 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1F ZINC000009664527 569557395 /nfs/dbraw/zinc/55/73/95/569557395.db2.gz GDGFVAYJBNQYKF-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN Cc1cc(C)cc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000009664388 569557418 /nfs/dbraw/zinc/55/74/18/569557418.db2.gz WFQCVUWOGNHMFA-UHFFFAOYSA-N 0 0 444.915 5.431 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1F ZINC000009664531 569557425 /nfs/dbraw/zinc/55/74/25/569557425.db2.gz JQZPLTMLEHZZGW-UHFFFAOYSA-N 0 0 448.878 5.262 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccc(Cl)cc2)c1 ZINC000009664720 569557443 /nfs/dbraw/zinc/55/74/43/569557443.db2.gz YEZLZARBEVENLA-UHFFFAOYSA-N 0 0 426.973 5.047 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000009665895 569557637 /nfs/dbraw/zinc/55/76/37/569557637.db2.gz QISAITSSFCOMES-UHFFFAOYSA-N 0 0 434.590 5.403 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009666087 569557652 /nfs/dbraw/zinc/55/76/52/569557652.db2.gz BXCHGOPKGPCAJJ-UHFFFAOYSA-N 0 0 438.789 5.118 50 0 IKAARN CSc1nnc(CCCNc2nc(C(F)(F)F)nc3ccccc32)n1C1CCCC1 ZINC000009666355 569557693 /nfs/dbraw/zinc/55/76/93/569557693.db2.gz YTPZVVPUOIUQPQ-UHFFFAOYSA-N 0 0 436.507 5.122 50 0 IKAARN Cc1nc(CSc2nnc(-c3cc(-c4ccc(C)cc4)nc4ccccc43)n2N)cs1 ZINC000009666435 569557743 /nfs/dbraw/zinc/55/77/43/569557743.db2.gz AKUMXXPGKANXHV-UHFFFAOYSA-N 0 0 444.589 5.240 50 0 IKAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000009666674 569557748 /nfs/dbraw/zinc/55/77/48/569557748.db2.gz KWSSQRZDXYRISD-UHFFFAOYSA-N 0 0 427.529 5.271 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000009666821 569557788 /nfs/dbraw/zinc/55/77/88/569557788.db2.gz QXEKOVUWTMOZKW-UHFFFAOYSA-N 0 0 435.524 5.200 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000009668079 569557916 /nfs/dbraw/zinc/55/79/16/569557916.db2.gz UBYJGBYZJSHUQB-UHFFFAOYSA-N 0 0 428.275 5.766 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)NCCSCc1ccc(Br)s1 ZINC000009669656 569558114 /nfs/dbraw/zinc/55/81/14/569558114.db2.gz PKDNGSDVDYAYCM-UHFFFAOYSA-N 0 0 437.384 5.137 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009669578 569558122 /nfs/dbraw/zinc/55/81/22/569558122.db2.gz WAAKCHNQRXOLGK-FGZHOGPDSA-N 0 0 431.561 5.314 50 0 IKAARN Cc1ccc(C)c(-c2csc(NC(=O)CSc3n[nH]c(-c4cccs4)n3)n2)c1 ZINC000009669977 569558176 /nfs/dbraw/zinc/55/81/76/569558176.db2.gz VNRAVLKRRSPCLO-UHFFFAOYSA-N 0 0 427.580 5.004 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2C2CCCCC2)cc1 ZINC000009670014 569558211 /nfs/dbraw/zinc/55/82/11/569558211.db2.gz LVWHDYBGNFDWBB-QGZVFWFLSA-N 0 0 436.581 5.578 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc(-c3nccs3)cc2)n1 ZINC000009671008 569558437 /nfs/dbraw/zinc/55/84/37/569558437.db2.gz CVJXCIRNCRFGPT-UHFFFAOYSA-N 0 0 432.574 5.762 50 0 IKAARN CC(=O)Nc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000009670956 569558467 /nfs/dbraw/zinc/55/84/67/569558467.db2.gz KBKFMQGHZOMSOL-OAQYLSRUSA-N 0 0 431.923 5.342 50 0 IKAARN Cn1c(COc2ccccc2Cl)nnc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000009671592 569558613 /nfs/dbraw/zinc/55/86/13/569558613.db2.gz DZCGVXSOFCWFHD-UHFFFAOYSA-N 0 0 448.335 5.043 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009672167 569558736 /nfs/dbraw/zinc/55/87/36/569558736.db2.gz LLJDZVNITNIONB-UHFFFAOYSA-N 0 0 439.519 5.113 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000009673260 569558887 /nfs/dbraw/zinc/55/88/87/569558887.db2.gz WUSJMQDODLVRHA-NHCUHLMSSA-N 0 0 440.952 5.268 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000009673262 569558918 /nfs/dbraw/zinc/55/89/18/569558918.db2.gz WUSJMQDODLVRHA-RTWAWAEBSA-N 0 0 440.952 5.268 50 0 IKAARN CCOc1ccc(CCNC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1OCC ZINC000009673345 569558928 /nfs/dbraw/zinc/55/89/28/569558928.db2.gz KUUMZZKCAHFYHN-UHFFFAOYSA-N 0 0 446.572 5.733 50 0 IKAARN O=C(NCc1cccs1)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009673347 569558935 /nfs/dbraw/zinc/55/89/35/569558935.db2.gz ATOKWHRWCAPXNX-UHFFFAOYSA-N 0 0 429.364 5.717 50 0 IKAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)Nc1cccc(Cl)c1 ZINC000009674041 569559044 /nfs/dbraw/zinc/55/90/44/569559044.db2.gz OJCPLJJHSBFPPQ-UHFFFAOYSA-N 0 0 433.939 5.904 50 0 IKAARN CSc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1 ZINC000009674107 569559055 /nfs/dbraw/zinc/55/90/55/569559055.db2.gz SUJQIXVUYJCRNP-UHFFFAOYSA-N 0 0 435.574 5.467 50 0 IKAARN CC(C)(C)c1ccc(CSC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)cc1 ZINC000009674248 569559155 /nfs/dbraw/zinc/55/91/55/569559155.db2.gz UJSCVTDQQSFNLG-HSZRJFAPSA-N 0 0 439.584 6.249 50 0 IKAARN COc1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000009674183 569559202 /nfs/dbraw/zinc/55/92/02/569559202.db2.gz WPLPRUGAMFTIHE-UHFFFAOYSA-N 0 0 445.544 5.492 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 ZINC000009675879 569559305 /nfs/dbraw/zinc/55/93/05/569559305.db2.gz WLMQXQZFGDQYHN-UHFFFAOYSA-N 0 0 444.332 6.402 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(C)cc32)cc1OC ZINC000009676037 569559384 /nfs/dbraw/zinc/55/93/84/569559384.db2.gz IMAFNVCCRVFDKD-UHFFFAOYSA-N 0 0 443.934 6.528 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccccc32)cc1OC ZINC000009676045 569559386 /nfs/dbraw/zinc/55/93/86/569559386.db2.gz BELSHOVUWLFTMM-UHFFFAOYSA-N 0 0 429.907 6.220 50 0 IKAARN CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000009676021 569559387 /nfs/dbraw/zinc/55/93/87/569559387.db2.gz URMLUSSVASITIZ-UHFFFAOYSA-N 0 0 427.935 6.774 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc32)cc1OC ZINC000009676054 569559388 /nfs/dbraw/zinc/55/93/88/569559388.db2.gz CGJVROWYIVTGAV-UHFFFAOYSA-N 0 0 433.870 6.050 50 0 IKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Br)cc4)c3c2c1 ZINC000009675915 569559397 /nfs/dbraw/zinc/55/93/97/569559397.db2.gz QDICELXEQXMHGV-UHFFFAOYSA-N 0 0 442.360 6.874 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 ZINC000009676019 569559400 /nfs/dbraw/zinc/55/94/00/569559400.db2.gz STMSTFMBXVIRQH-UHFFFAOYSA-N 0 0 427.935 6.828 50 0 IKAARN Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(Cl)cc4Cl)c3c2c1 ZINC000009676074 569559402 /nfs/dbraw/zinc/55/94/02/569559402.db2.gz OIOSRMMHWVLKPO-UHFFFAOYSA-N 0 0 438.745 7.509 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc32)cc1OC ZINC000009676051 569559403 /nfs/dbraw/zinc/55/94/03/569559403.db2.gz MXNQSOOHLUIROF-UHFFFAOYSA-N 0 0 447.897 6.359 50 0 IKAARN Fc1ccc(CSC[C@@H]2COC(c3cccn3Cc3ccc(F)cc3Cl)=N2)cc1 ZINC000009676196 569559406 /nfs/dbraw/zinc/55/94/06/569559406.db2.gz VSFJADVFLFABFP-IBGZPJMESA-N 0 0 432.923 5.547 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(F)cc4c32)cc1C ZINC000009676103 569559428 /nfs/dbraw/zinc/55/94/28/569559428.db2.gz BIQRGKNFUCZWQB-UHFFFAOYSA-N 0 0 446.323 6.759 50 0 IKAARN Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000009676118 569559439 /nfs/dbraw/zinc/55/94/39/569559439.db2.gz YDEMIZRUGVVWIC-UHFFFAOYSA-N 0 0 448.751 6.965 50 0 IKAARN Fc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1 ZINC000009676167 569559445 /nfs/dbraw/zinc/55/94/45/569559445.db2.gz PLWYDPINYRKPOI-UHFFFAOYSA-N 0 0 436.259 6.281 50 0 IKAARN Fc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccc(F)cc4c32)cc1 ZINC000009676177 569559446 /nfs/dbraw/zinc/55/94/46/569559446.db2.gz RVURJMQOTOJNPJ-UHFFFAOYSA-N 0 0 436.259 6.281 50 0 IKAARN Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccc(F)cc4c32)cc1C ZINC000009676156 569559452 /nfs/dbraw/zinc/55/94/52/569559452.db2.gz BTMMDJKDTJTQKE-UHFFFAOYSA-N 0 0 446.323 6.759 50 0 IKAARN Cc1cccc(CSC[C@H]2COC(c3cccn3Cc3ccc(F)cc3Cl)=N2)c1 ZINC000009676209 569559457 /nfs/dbraw/zinc/55/94/57/569559457.db2.gz WMMUOBSKMMEXNK-HXUWFJFHSA-N 0 0 428.960 5.716 50 0 IKAARN COc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000009678996 569559634 /nfs/dbraw/zinc/55/96/34/569559634.db2.gz IBAJMGGJOCFEFC-XMMPIXPASA-N 0 0 429.907 5.797 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccc2ccccc21 ZINC000009678920 569559652 /nfs/dbraw/zinc/55/96/52/569559652.db2.gz VRQZGWMVQVCPBU-MHZLTWQESA-N 0 0 441.914 5.501 50 0 IKAARN COc1cccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000009679134 569559694 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CCN(CCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21)c1ccccc1 ZINC000009680597 569560136 /nfs/dbraw/zinc/56/01/36/569560136.db2.gz HIGDTGFVHFVBPU-UHFFFAOYSA-N 0 0 440.547 5.243 50 0 IKAARN CC(C)c1ccc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000009680862 569560164 /nfs/dbraw/zinc/56/01/64/569560164.db2.gz UZSWATLGDKUCDP-UHFFFAOYSA-N 0 0 443.978 6.728 50 0 IKAARN CC(C)c1ccc(Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000009680866 569560194 /nfs/dbraw/zinc/56/01/94/569560194.db2.gz LNKSYRNMUDZZIL-UHFFFAOYSA-N 0 0 439.515 5.761 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000009680749 569560202 /nfs/dbraw/zinc/56/02/02/569560202.db2.gz ZAXYWCCSVVUFBZ-UHFFFAOYSA-N 0 0 431.923 5.961 50 0 IKAARN CCc1ccccc1Nc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2n1 ZINC000009680728 569560219 /nfs/dbraw/zinc/56/02/19/569560219.db2.gz LFCDJRRSTFEVLV-LJQANCHMSA-N 0 0 439.515 5.111 50 0 IKAARN CCc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000009682034 569560294 /nfs/dbraw/zinc/56/02/94/569560294.db2.gz RLWUMUCPQDZVPJ-UHFFFAOYSA-N 0 0 436.515 5.001 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cn1 ZINC000009683457 569560368 /nfs/dbraw/zinc/56/03/68/569560368.db2.gz RXNFJGGMWROXKC-CYBMUJFWSA-N 0 0 438.915 5.604 50 0 IKAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C ZINC000009683834 569560416 /nfs/dbraw/zinc/56/04/16/569560416.db2.gz WWVYOLMQZJLXTJ-UHFFFAOYSA-N 0 0 442.585 5.083 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000009684421 569560548 /nfs/dbraw/zinc/56/05/48/569560548.db2.gz KYQMAYREXCJABG-UHFFFAOYSA-N 0 0 446.601 5.339 50 0 IKAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000009685447 569560667 /nfs/dbraw/zinc/56/06/67/569560667.db2.gz ITGKOEVAWGDUAT-UHFFFAOYSA-N 0 0 442.544 5.070 50 0 IKAARN Cc1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1C1CCCCC1 ZINC000009690543 569560942 /nfs/dbraw/zinc/56/09/42/569560942.db2.gz JSQUALWDOQEZRQ-UHFFFAOYSA-N 0 0 444.620 5.684 50 0 IKAARN Cc1ccc2nc(-c3cccc(Br)c3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000009692754 569561134 /nfs/dbraw/zinc/56/11/34/569561134.db2.gz YZSUUDIBWHPCTR-UHFFFAOYSA-N 0 0 436.309 5.587 50 0 IKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCc1ccc(Cl)cc1 ZINC000009693745 569561215 /nfs/dbraw/zinc/56/12/15/569561215.db2.gz JBZKNQWVAAENEH-UHFFFAOYSA-N 0 0 445.415 5.871 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3OC(F)F)c2n1 ZINC000009703435 569561301 /nfs/dbraw/zinc/56/13/01/569561301.db2.gz HAENWLXFCULWOO-UHFFFAOYSA-N 0 0 427.234 5.469 50 0 IKAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(Br)c1 ZINC000009708222 569561855 /nfs/dbraw/zinc/56/18/55/569561855.db2.gz UHHSOCYEJHYIOK-IBGZPJMESA-N 0 0 427.367 5.044 50 0 IKAARN COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccccc3SC)nc21 ZINC000009708691 569561961 /nfs/dbraw/zinc/56/19/61/569561961.db2.gz QPSFDGZBERYKOU-UHFFFAOYSA-N 0 0 435.574 5.577 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c3ccccc3n2)o1 ZINC000009712158 569562163 /nfs/dbraw/zinc/56/21/63/569562163.db2.gz 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COc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1F ZINC000009717088 569563276 /nfs/dbraw/zinc/56/32/76/569563276.db2.gz BWPABWQXRNOZIT-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN COc1ccc(Cl)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000009724220 569563630 /nfs/dbraw/zinc/56/36/30/569563630.db2.gz PYZIEEWRSMCTQO-UHFFFAOYSA-N 0 0 436.364 5.800 50 0 IKAARN O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1cc(Cl)ccc1Cl ZINC000009724191 569563631 /nfs/dbraw/zinc/56/36/31/569563631.db2.gz LLWZDKPXTPBQCQ-UHFFFAOYSA-N 0 0 426.343 6.262 50 0 IKAARN C[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 ZINC000009724055 569563681 /nfs/dbraw/zinc/56/36/81/569563681.db2.gz TWRNYSADMOKXEC-CVEARBPZSA-N 0 0 442.560 5.540 50 0 IKAARN O=C(Cn1nc(-c2ccccc2)c2cnc3ccc(F)cc3c21)Nc1ccc(F)c(F)c1 ZINC000009725471 569563802 /nfs/dbraw/zinc/56/38/02/569563802.db2.gz YTZPWYNQBLWIAY-UHFFFAOYSA-N 0 0 432.405 5.308 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4F)c3c2c1 ZINC000009725487 569563846 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Cc1noc(C)c1COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000009730166 569564311 /nfs/dbraw/zinc/56/43/11/569564311.db2.gz OABIKLJNOABHAU-UHFFFAOYSA-N 0 0 437.496 5.309 50 0 IKAARN Cc1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1-c1ccccc1 ZINC000009730083 569564330 /nfs/dbraw/zinc/56/43/30/569564330.db2.gz GSGVBVSCLLOBGU-UHFFFAOYSA-N 0 0 438.572 5.168 50 0 IKAARN CC(C)Cn1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c2ccccc2c1=O ZINC000009730229 569564413 /nfs/dbraw/zinc/56/44/13/569564413.db2.gz UHNDNQXPCWOMCN-HXUWFJFHSA-N 0 0 446.576 5.030 50 0 IKAARN Cc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1-c1nc(-c2ccccc2)cs1 ZINC000009730874 569564491 /nfs/dbraw/zinc/56/44/91/569564491.db2.gz XOJYMHKYLSBZKW-PNHLSOANSA-N 0 0 428.944 7.418 50 0 IKAARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000009730800 569564533 /nfs/dbraw/zinc/56/45/33/569564533.db2.gz OCNNUOHWGIDDOT-UHFFFAOYSA-N 0 0 425.912 5.146 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)N1CCc2ccccc21 ZINC000009737821 569564832 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Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000009741669 569565325 /nfs/dbraw/zinc/56/53/25/569565325.db2.gz LZKMLLILMDOAMK-VWLOTQADSA-N 0 0 442.584 6.298 50 0 IKAARN Cc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1NC(=O)c1ccco1 ZINC000009742096 569565395 /nfs/dbraw/zinc/56/53/95/569565395.db2.gz KMJOBHGWIJXDFY-UHFFFAOYSA-N 0 0 429.476 5.001 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000009744190 569565593 /nfs/dbraw/zinc/56/55/93/569565593.db2.gz VOSFZVBIBKCUQO-XMMPIXPASA-N 0 0 426.516 5.416 50 0 IKAARN Cc1c(C[NH2+]CCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746829 569565778 /nfs/dbraw/zinc/56/57/78/569565778.db2.gz HCDLSCQAGHMMAN-UHFFFAOYSA-N 0 0 431.363 5.491 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000009747246 569565838 /nfs/dbraw/zinc/56/58/38/569565838.db2.gz MPCKUFANCVTMFK-UHFFFAOYSA-N 0 0 428.985 5.517 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000009748299 569565900 /nfs/dbraw/zinc/56/59/00/569565900.db2.gz LCUWSSSVEKGOBI-UHFFFAOYSA-N 0 0 431.511 5.196 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(c2)oc(C)c(Oc2ccccc2)c3=O)c1C ZINC000009748340 569565919 /nfs/dbraw/zinc/56/59/19/569565919.db2.gz RQYBWTRHBADLMB-UHFFFAOYSA-N 0 0 445.471 5.303 50 0 IKAARN CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c3ccccc3oc2c1=O ZINC000009749450 569565975 /nfs/dbraw/zinc/56/59/75/569565975.db2.gz WRBMARTUVSABJK-UHFFFAOYSA-N 0 0 435.549 5.290 50 0 IKAARN CCCCn1c(SCC(=O)Nc2ccccc2CC)nc2c3ccccc3oc2c1=O ZINC000009749520 569565983 /nfs/dbraw/zinc/56/59/83/569565983.db2.gz KDDTWBULKJFJAU-UHFFFAOYSA-N 0 0 435.549 5.236 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nc2c3ccccc3oc2c(=O)n1CCC(C)C ZINC000009751354 569566045 /nfs/dbraw/zinc/56/60/45/569566045.db2.gz UQFKYKBPQOTBRD-UHFFFAOYSA-N 0 0 449.576 5.536 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2CCC(C)C)c1 ZINC000009751392 569566052 /nfs/dbraw/zinc/56/60/52/569566052.db2.gz WFHSGRNVZGAMDN-UHFFFAOYSA-N 0 0 449.576 5.482 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2c3ccccc3oc2c(=O)n1CCC(C)C ZINC000009751385 569566074 /nfs/dbraw/zinc/56/60/74/569566074.db2.gz NEGVNXPCBIMJSD-UHFFFAOYSA-N 0 0 449.576 5.482 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C2CCCC2)c1 ZINC000009752467 569566089 /nfs/dbraw/zinc/56/60/89/569566089.db2.gz UDEJIRQJRKETRB-UHFFFAOYSA-N 0 0 447.560 5.605 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C2CCCC2)c1 ZINC000009752386 569566117 /nfs/dbraw/zinc/56/61/17/569566117.db2.gz OSDILNYAIGQSRJ-UHFFFAOYSA-N 0 0 433.533 5.297 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccc(Br)cc1)N2 ZINC000009763451 569566615 /nfs/dbraw/zinc/56/66/15/569566615.db2.gz NXBLBFHPOKCBJE-HUUCEWRRSA-N 0 0 439.144 5.076 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccc(Br)cc1)N2 ZINC000009763450 569566619 /nfs/dbraw/zinc/56/66/19/569566619.db2.gz NXBLBFHPOKCBJE-LSDHHAIUSA-N 0 0 439.144 5.076 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000009763283 569566631 /nfs/dbraw/zinc/56/66/31/569566631.db2.gz XWZPRNYHDMPXHG-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN Cc1cc(C(F)(F)F)n2nc(-c3cccc(Br)c3)c(-c3ccccc3)c2n1 ZINC000009763414 569566653 /nfs/dbraw/zinc/56/66/53/569566653.db2.gz HHEFYNRZGZASIT-UHFFFAOYSA-N 0 0 432.243 6.153 50 0 IKAARN CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 ZINC000009763487 569566651 /nfs/dbraw/zinc/56/66/51/569566651.db2.gz CHFUXMVFNXVSKN-UHFFFAOYSA-N 0 0 433.529 5.680 50 0 IKAARN CCOc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009764298 569566732 /nfs/dbraw/zinc/56/67/32/569566732.db2.gz VKBMZWYNOBWDPX-VWLOTQADSA-N 0 0 439.511 5.288 50 0 IKAARN CCc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000009763798 569566736 /nfs/dbraw/zinc/56/67/36/569566736.db2.gz MBUWYSHLTFOSMS-UHFFFAOYSA-N 0 0 435.980 6.321 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@H]4CCOc5ccccc54)c23)cc1 ZINC000009767435 569566881 /nfs/dbraw/zinc/56/68/81/569566881.db2.gz YWCGVRUYKLMZPU-IBGZPJMESA-N 0 0 447.585 5.399 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@@H]4CCOc5ccccc54)c23)cc1 ZINC000009767433 569566885 /nfs/dbraw/zinc/56/68/85/569566885.db2.gz YWCGVRUYKLMZPU-LJQANCHMSA-N 0 0 447.585 5.399 50 0 IKAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009767258 569566895 /nfs/dbraw/zinc/56/68/95/569566895.db2.gz DANLTXLXULJRFO-HSZRJFAPSA-N 0 0 429.516 5.257 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc5c(c4)CCC5)c3n2)cc1 ZINC000009775293 569566930 /nfs/dbraw/zinc/56/69/30/569566930.db2.gz JWSBAPBQAAUVIB-UHFFFAOYSA-N 0 0 436.437 5.465 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000009775324 569566950 /nfs/dbraw/zinc/56/69/50/569566950.db2.gz PGBSJDQVVVNKOM-UHFFFAOYSA-N 0 0 441.196 5.567 50 0 IKAARN Cc1ccc(CSc2cn(CCNC(=O)c3c(F)cccc3F)c3ccccc23)cc1 ZINC000009775841 569566984 /nfs/dbraw/zinc/56/69/84/569566984.db2.gz DXMWHVUMXXTEQQ-UHFFFAOYSA-N 0 0 436.527 5.950 50 0 IKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cc(C)c(Cl)cc1OC ZINC000009775693 569567012 /nfs/dbraw/zinc/56/70/12/569567012.db2.gz VLUKHDKXILZYLV-UHFFFAOYSA-N 0 0 435.307 5.788 50 0 IKAARN COc1ccccc1C(=O)NCCn1cc(SCc2cccc(C)c2)c2ccccc21 ZINC000009775778 569567031 /nfs/dbraw/zinc/56/70/31/569567031.db2.gz LVVHHDSVJADSIS-UHFFFAOYSA-N 0 0 430.573 5.681 50 0 IKAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776129 569567035 /nfs/dbraw/zinc/56/70/35/569567035.db2.gz ISJDROHNPVWFFH-IZZNHLLZSA-N 0 0 446.591 5.321 50 0 IKAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776130 569567062 /nfs/dbraw/zinc/56/70/62/569567062.db2.gz ISJDROHNPVWFFH-UIOOFZCWSA-N 0 0 446.591 5.321 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccc(Cl)c(Cl)c1 ZINC000009776793 569567110 /nfs/dbraw/zinc/56/71/10/569567110.db2.gz WLFZVKXMPSVFGZ-UHFFFAOYSA-N 0 0 432.328 6.371 50 0 IKAARN CCOc1ccc(NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)cc1 ZINC000009776740 569567122 /nfs/dbraw/zinc/56/71/22/569567122.db2.gz SQKSVYHAVZQCMX-UHFFFAOYSA-N 0 0 431.923 6.591 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccc(C)cc1 ZINC000009777565 569567158 /nfs/dbraw/zinc/56/71/58/569567158.db2.gz KGIXCMLOIZGPRV-JOCHJYFZSA-N 0 0 449.348 5.758 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000009777662 569567175 /nfs/dbraw/zinc/56/71/75/569567175.db2.gz SKTVILACXZIQSU-VWLOTQADSA-N 0 0 442.540 5.285 50 0 IKAARN Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3Sc3nncn3C)coc2c1C ZINC000009778734 569567323 /nfs/dbraw/zinc/56/73/23/569567323.db2.gz BPUAAODTXKGWOR-UHFFFAOYSA-N 0 0 426.929 5.164 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000009779745 569567446 /nfs/dbraw/zinc/56/74/46/569567446.db2.gz LYPPIHPRQAFBOM-UKILVPOCSA-N 0 0 447.376 6.815 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3sccc32)cs1 ZINC000009780488 569567514 /nfs/dbraw/zinc/56/75/14/569567514.db2.gz UOXBMJNSZUWRMR-UHFFFAOYSA-N 0 0 426.592 5.687 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCCC2 ZINC000009781506 569567604 /nfs/dbraw/zinc/56/76/04/569567604.db2.gz KMKWNHBQBOJHRB-UHFFFAOYSA-N 0 0 448.588 6.229 50 0 IKAARN O=C(CCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2ccccc2c1 ZINC000009782191 569567661 /nfs/dbraw/zinc/56/76/61/569567661.db2.gz QQRYTZCWUBUKCA-UHFFFAOYSA-N 0 0 428.557 5.819 50 0 IKAARN C[C@H](NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc21)c1ccc(F)cc1 ZINC000009782886 569567728 /nfs/dbraw/zinc/56/77/28/569567728.db2.gz INHFTHPTMODTNQ-IRXDYDNUSA-N 0 0 431.536 5.794 50 0 IKAARN C[C@@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc21)c1ccc(F)cc1 ZINC000009782884 569567731 /nfs/dbraw/zinc/56/77/31/569567731.db2.gz INHFTHPTMODTNQ-IAGOWNOFSA-N 0 0 431.536 5.794 50 0 IKAARN Cc1c(NC(=O)C(C)(c2ccccc2)c2ccccc2)cccc1-c1nc2ncccc2o1 ZINC000009783032 569567790 /nfs/dbraw/zinc/56/77/90/569567790.db2.gz NOJWIJXYNAANFR-UHFFFAOYSA-N 0 0 433.511 6.143 50 0 IKAARN Cc1nc(-c2ccc(CCNC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)cs1 ZINC000009783739 569567835 /nfs/dbraw/zinc/56/78/35/569567835.db2.gz OLNUCZJRURBYPS-UHFFFAOYSA-N 0 0 447.585 5.405 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1 ZINC000009789409 569568106 /nfs/dbraw/zinc/56/81/06/569568106.db2.gz GBZLYXIPDRBPTM-KRWDZBQOSA-N 0 0 427.529 5.619 50 0 IKAARN O=C([C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCCCC1 ZINC000009790846 569568217 /nfs/dbraw/zinc/56/82/17/569568217.db2.gz COOVNXQDSNZKNU-JOCHJYFZSA-N 0 0 432.593 5.050 50 0 IKAARN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009791144 569568228 /nfs/dbraw/zinc/56/82/28/569568228.db2.gz IVBSMZOGHVDGBY-UHFFFAOYSA-N 0 0 426.925 5.686 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc2c(c1)CCC(=O)N2 ZINC000009791396 569568245 /nfs/dbraw/zinc/56/82/45/569568245.db2.gz PZQVTRVKZKBMRP-UHFFFAOYSA-N 0 0 431.542 5.218 50 0 IKAARN Cc1nnc(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)n1-c1ccccc1 ZINC000009793198 569568304 /nfs/dbraw/zinc/56/83/04/569568304.db2.gz UNZCIMOTHGWEMA-UHFFFAOYSA-N 0 0 428.561 5.210 50 0 IKAARN COc1ccc(Cc2nnc(SCC(=O)c3cc(C)n(Cc4ccccc4)c3C)o2)cc1 ZINC000009792952 569568326 /nfs/dbraw/zinc/56/83/26/569568326.db2.gz SGCJESGDOOIEIU-UHFFFAOYSA-N 0 0 447.560 5.111 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009794814 569568383 /nfs/dbraw/zinc/56/83/83/569568383.db2.gz SOASNYLUQCXJOC-OAHLLOKOSA-N 0 0 425.560 5.421 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccco1 ZINC000009794999 569568394 /nfs/dbraw/zinc/56/83/94/569568394.db2.gz UIHKBVSBZZPIKL-QHCPKHFHSA-N 0 0 426.472 5.052 50 0 IKAARN Clc1ccccc1-c1nnc(SCc2nc(-c3ccccc3)no2)n1C1CCCC1 ZINC000009796329 569568444 /nfs/dbraw/zinc/56/84/44/569568444.db2.gz KPOGETZXNCTSCN-UHFFFAOYSA-N 0 0 437.956 6.056 50 0 IKAARN CCCn1nnnc1CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000009796801 569568476 /nfs/dbraw/zinc/56/84/76/569568476.db2.gz MWENXQNTTUVGKK-UHFFFAOYSA-N 0 0 447.612 5.216 50 0 IKAARN CC(C)C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000009798516 569568543 /nfs/dbraw/zinc/56/85/43/569568543.db2.gz CUXWJCPBCKYVMJ-OAQYLSRUSA-N 0 0 438.572 5.415 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000009799867 569568590 /nfs/dbraw/zinc/56/85/90/569568590.db2.gz FIGMGHVTKAGGFX-OAQYLSRUSA-N 0 0 438.936 6.289 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000009799863 569568611 /nfs/dbraw/zinc/56/86/11/569568611.db2.gz FIGMGHVTKAGGFX-NRFANRHFSA-N 0 0 438.936 6.289 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cccc(Cl)c1Cl ZINC000009799874 569568621 /nfs/dbraw/zinc/56/86/21/569568621.db2.gz GVDCKUPKGMKUDV-UHFFFAOYSA-N 0 0 439.393 5.303 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccco1)Cc1cccs1 ZINC000009799695 569568630 /nfs/dbraw/zinc/56/86/30/569568630.db2.gz GJYOPGUPYHVUEP-UHFFFAOYSA-N 0 0 435.876 5.404 50 0 IKAARN Nc1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)C[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000009805328 569568668 /nfs/dbraw/zinc/56/86/68/569568668.db2.gz HEDRGVJCZWTCTD-KBPBESRZSA-N 0 0 429.138 5.620 50 0 IKAARN CCCOc1cccc(-c2nc3c(Br)cc(Br)cc3c(=O)o2)c1 ZINC000009804792 569568695 /nfs/dbraw/zinc/56/86/95/569568695.db2.gz BHYGEPKJWIIISW-UHFFFAOYSA-N 0 0 439.103 5.169 50 0 IKAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000009805575 569568773 /nfs/dbraw/zinc/56/87/73/569568773.db2.gz RLRYASMXTCVKNX-UHFFFAOYSA-N 0 0 449.359 5.065 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cs2)cc1C ZINC000009805897 569568860 /nfs/dbraw/zinc/56/88/60/569568860.db2.gz PDFNOCQWBXEQIG-UHFFFAOYSA-N 0 0 445.338 5.306 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)NCc3ccc(C)o3)ccc21 ZINC000009805899 569568864 /nfs/dbraw/zinc/56/88/64/569568864.db2.gz LKOSAURJHJLPRS-QGZVFWFLSA-N 0 0 431.536 5.387 50 0 IKAARN CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3scc(-c4cccs4)c32)cc1 ZINC000009806578 569568957 /nfs/dbraw/zinc/56/89/57/569568957.db2.gz NRLCFQKWPTXMNU-UHFFFAOYSA-N 0 0 439.587 5.662 50 0 IKAARN Cc1cccc(-c2nc(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cs2)c1 ZINC000009813464 569569108 /nfs/dbraw/zinc/56/91/08/569569108.db2.gz XALBTLMVYOOXLQ-UHFFFAOYSA-N 0 0 443.576 5.285 50 0 IKAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000009813565 569569131 /nfs/dbraw/zinc/56/91/31/569569131.db2.gz OWKUZJPYEHKJAO-UHFFFAOYSA-N 0 0 432.911 5.837 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000009814562 569569154 /nfs/dbraw/zinc/56/91/54/569569154.db2.gz UTORIQWNEMFFDY-IBGZPJMESA-N 0 0 447.391 5.783 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl ZINC000009816819 569569246 /nfs/dbraw/zinc/56/92/46/569569246.db2.gz VOYXMAHMUYCGAO-FQEVSTJZSA-N 0 0 442.972 5.139 50 0 IKAARN O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1c(Cl)cccc1Cl ZINC000009817618 569569258 /nfs/dbraw/zinc/56/92/58/569569258.db2.gz FYGFSVUQTYFKNH-UHFFFAOYSA-N 0 0 434.300 5.410 50 0 IKAARN COc1ccc(Br)cc1CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000009818847 569569312 /nfs/dbraw/zinc/56/93/12/569569312.db2.gz XNMSZBFWDGKSNE-UHFFFAOYSA-N 0 0 436.400 5.329 50 0 IKAARN Cc1cc(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)n1C1CC1 ZINC000009818773 569569352 /nfs/dbraw/zinc/56/93/52/569569352.db2.gz YTRUPVYADZBGAW-UHFFFAOYSA-N 0 0 428.867 5.130 50 0 IKAARN CC[C@H](c1nnc(SCc2ncc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C ZINC000009820146 569569374 /nfs/dbraw/zinc/56/93/74/569569374.db2.gz GZNCVSCKWNPSCK-HXUWFJFHSA-N 0 0 433.581 5.286 50 0 IKAARN CC[C@@H](c1nnc(SCc2ncc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C ZINC000009820138 569569408 /nfs/dbraw/zinc/56/94/08/569569408.db2.gz GZNCVSCKWNPSCK-FQEVSTJZSA-N 0 0 433.581 5.286 50 0 IKAARN CCc1cccc(C)c1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1S(C)(=O)=O ZINC000009824694 569569629 /nfs/dbraw/zinc/56/96/29/569569629.db2.gz FOEBVFPJQYNOMH-UHFFFAOYSA-N 0 0 448.997 5.233 50 0 IKAARN CCOc1ccc(CN(CC)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1OC ZINC000009824103 569569638 /nfs/dbraw/zinc/56/96/38/569569638.db2.gz YOSBVSAKYKAIHW-UHFFFAOYSA-N 0 0 438.549 5.070 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009827863 569569651 /nfs/dbraw/zinc/56/96/51/569569651.db2.gz HAMSEAGWYLJVCR-UHFFFAOYSA-N 0 0 429.259 5.369 50 0 IKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+]CCc3c[nH]c4ccccc34)c2C(=O)[O-])cc1 ZINC000009831753 569570196 /nfs/dbraw/zinc/57/01/96/569570196.db2.gz BNGGRNYNZSINSM-UHFFFAOYSA-N 0 0 437.543 5.510 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009831937 569570246 /nfs/dbraw/zinc/57/02/46/569570246.db2.gz JEXWUPRHQKQWQP-UHFFFAOYSA-N 0 0 429.549 5.356 50 0 IKAARN CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 ZINC000009832159 569570256 /nfs/dbraw/zinc/57/02/56/569570256.db2.gz HEMVGBZDTJYRRQ-CRAIPNDOSA-N 0 0 426.611 5.480 50 0 IKAARN CCCc1ccc(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)cc1 ZINC000009831879 569570275 /nfs/dbraw/zinc/57/02/75/569570275.db2.gz HNCUMGHSVUPQON-UHFFFAOYSA-N 0 0 439.610 5.297 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1 ZINC000009831967 569570276 /nfs/dbraw/zinc/57/02/76/569570276.db2.gz LCRGAMXJQQLERD-FQEVSTJZSA-N 0 0 448.617 5.580 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2ccccc2c1 ZINC000009831924 569570281 /nfs/dbraw/zinc/57/02/81/569570281.db2.gz MFQGGTNIUWQWMZ-SFHVURJKSA-N 0 0 442.588 5.327 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+][C@@H]3CCCc4ccccc43)c2C(=O)[O-])cc1 ZINC000009833350 569570314 /nfs/dbraw/zinc/57/03/14/569570314.db2.gz NUCFGUQTOAFRAK-AREMUKBSSA-N 0 0 436.555 6.198 50 0 IKAARN C[C@H]([NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-])c1ccccc1 ZINC000009833324 569570337 /nfs/dbraw/zinc/57/03/37/569570337.db2.gz KUMJXFVDTNYCRV-INIZCTEOSA-N 0 0 436.914 6.031 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1nnc(SCc2cccc(Br)c2)s1 ZINC000009833777 569570386 /nfs/dbraw/zinc/57/03/86/569570386.db2.gz FYVUEWOYBBSPJW-MDZDMXLPSA-N 0 0 432.368 5.245 50 0 IKAARN CCCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000009833718 569570388 /nfs/dbraw/zinc/57/03/88/569570388.db2.gz YEUAGLIWIJPDSI-UHFFFAOYSA-N 0 0 430.552 5.226 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000009833963 569570463 /nfs/dbraw/zinc/57/04/63/569570463.db2.gz IKWNHCOSCFQMBB-KRWDZBQOSA-N 0 0 446.601 5.061 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)N1c2ccccc2C(c2ccccc2)=N[C@H](C)C1=O ZINC000009834024 569570503 /nfs/dbraw/zinc/57/05/03/569570503.db2.gz AAAUIKUIDRZZQT-VGOFRKELSA-N 0 0 445.950 5.330 50 0 IKAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009836298 569570729 /nfs/dbraw/zinc/57/07/29/569570729.db2.gz CAJPVGBGLNHTAY-GOSISDBHSA-N 0 0 446.528 5.695 50 0 IKAARN CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1C ZINC000009836650 569570741 /nfs/dbraw/zinc/57/07/41/569570741.db2.gz ITPCPSBHWINVJO-UHFFFAOYSA-N 0 0 437.594 5.478 50 0 IKAARN COc1cc2nc(SCc3ccc(F)cc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009838649 569570832 /nfs/dbraw/zinc/57/08/32/569570832.db2.gz TWFVCQAEXBTLTN-UHFFFAOYSA-N 0 0 446.507 5.393 50 0 IKAARN Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c(C)s1 ZINC000009842271 569570889 /nfs/dbraw/zinc/57/08/89/569570889.db2.gz FXOZGHKQSXXIQN-UHFFFAOYSA-N 0 0 447.862 5.182 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1Cl ZINC000009846239 569571037 /nfs/dbraw/zinc/57/10/37/569571037.db2.gz QGJJSYBVQZYGMR-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4cccc(Cl)c4C)CC3)sc2c1 ZINC000009847992 569571186 /nfs/dbraw/zinc/57/11/86/569571186.db2.gz OROIAJDUKMGDNU-UHFFFAOYSA-N 0 0 429.973 5.512 50 0 IKAARN CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000009847529 569571206 /nfs/dbraw/zinc/57/12/06/569571206.db2.gz VCQCNOGGGGCGME-UHFFFAOYSA-N 0 0 443.568 5.786 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N[C@@H](CC)Cc4ccccc4)C3)sc2c1 ZINC000009848134 569571236 /nfs/dbraw/zinc/57/12/36/569571236.db2.gz VRNPVCYIJNZRDM-PMACEKPBSA-N 0 0 437.609 5.049 50 0 IKAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009849539 569571293 /nfs/dbraw/zinc/57/12/93/569571293.db2.gz KLXBMZTYAAMKJS-UHFFFAOYSA-N 0 0 436.511 6.563 50 0 IKAARN C[C@H](NC(=O)CCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1)c1ccccc1 ZINC000009851072 569571470 /nfs/dbraw/zinc/57/14/70/569571470.db2.gz YMKZHSMCYKBKQI-NRFANRHFSA-N 0 0 436.596 6.022 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1 ZINC000009855923 569571566 /nfs/dbraw/zinc/57/15/66/569571566.db2.gz LOPAEHMGVWZHIK-UHFFFAOYSA-N 0 0 444.918 5.087 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1C ZINC000009857800 569571640 /nfs/dbraw/zinc/57/16/40/569571640.db2.gz DIGASWRCUJRQJF-LOSJGSFVSA-N 0 0 444.600 6.227 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1C ZINC000009857798 569571666 /nfs/dbraw/zinc/57/16/66/569571666.db2.gz DIGASWRCUJRQJF-JWQCQUIFSA-N 0 0 444.600 6.227 50 0 IKAARN CCOc1ccc(-c2nc3c(c(SCC(=O)N(CC)CC)n2)Cc2ccccc2O3)cc1 ZINC000009859576 569571756 /nfs/dbraw/zinc/57/17/56/569571756.db2.gz MTBQVUYPCDRPOT-UHFFFAOYSA-N 0 0 449.576 5.199 50 0 IKAARN O=C(CSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2)N1CCCCC1 ZINC000009859671 569571758 /nfs/dbraw/zinc/57/17/58/569571758.db2.gz KJIQJTCJCWRULC-UHFFFAOYSA-N 0 0 435.524 5.084 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccccc1F ZINC000009859191 569571776 /nfs/dbraw/zinc/57/17/76/569571776.db2.gz KMJFPKZSFCOOHX-UHFFFAOYSA-N 0 0 443.503 5.710 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nncn3-c3ccc(C)cc3C)cs2)cc1 ZINC000009861963 569571962 /nfs/dbraw/zinc/57/19/62/569571962.db2.gz KCNFMLVQCYQUPD-UHFFFAOYSA-N 0 0 449.605 5.123 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccc(F)cc1 ZINC000009861661 569571998 /nfs/dbraw/zinc/57/19/98/569571998.db2.gz HSEXKSQKFBILIJ-UHFFFAOYSA-N 0 0 437.565 5.287 50 0 IKAARN Cc1cc(-c2ccccc2)nc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000009863410 569572053 /nfs/dbraw/zinc/57/20/53/569572053.db2.gz KKADRPUQSTXSCJ-MRXNPFEDSA-N 0 0 434.590 5.373 50 0 IKAARN Cc1cc(C(=O)O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)no1 ZINC000009864241 569572108 /nfs/dbraw/zinc/57/21/08/569572108.db2.gz NRCZEDGTHCQXAR-KRWDZBQOSA-N 0 0 438.789 5.192 50 0 IKAARN Cc1cc(C(=O)O[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)no1 ZINC000009864246 569572128 /nfs/dbraw/zinc/57/21/28/569572128.db2.gz NRCZEDGTHCQXAR-QGZVFWFLSA-N 0 0 438.789 5.192 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(Cl)c(Cl)cc2Cl)o1 ZINC000009865625 569572180 /nfs/dbraw/zinc/57/21/80/569572180.db2.gz OHXRBYNFORXTAA-UHFFFAOYSA-N 0 0 436.682 6.239 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n1C1CCCCC1 ZINC000009868148 569572298 /nfs/dbraw/zinc/57/22/98/569572298.db2.gz KMZDCGAFCODCKS-UHFFFAOYSA-N 0 0 449.580 5.075 50 0 IKAARN Cc1cc(C(=O)CSc2nncn2-c2ccccc2F)c(C)n1CCc1cccs1 ZINC000009867305 569572302 /nfs/dbraw/zinc/57/23/02/569572302.db2.gz GKBYHDRDVBQONB-UHFFFAOYSA-N 0 0 440.569 5.104 50 0 IKAARN Cc1nnc(Sc2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c32)n1N ZINC000009868381 569572345 /nfs/dbraw/zinc/57/23/45/569572345.db2.gz RJKOXGQXVCLYMR-UHFFFAOYSA-N 0 0 449.030 5.019 50 0 IKAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2S[C@@H]2C[C@@H](C)OC2=O)c(C)c1 ZINC000009871000 569572349 /nfs/dbraw/zinc/57/23/49/569572349.db2.gz QASVENCJUYSPON-WZONZLPQSA-N 0 0 443.572 5.424 50 0 IKAARN CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C1=CCCCC1 ZINC000009872793 569572483 /nfs/dbraw/zinc/57/24/83/569572483.db2.gz KITNOYOFLGPHSN-UHFFFAOYSA-N 0 0 435.597 5.550 50 0 IKAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000009875393 569572636 /nfs/dbraw/zinc/57/26/36/569572636.db2.gz AOQDLXYLBQUIPU-IBGZPJMESA-N 0 0 439.865 5.090 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)CN3CCC[C@H]3c3nc4ccccc4s3)c2)cs1 ZINC000009884358 569572718 /nfs/dbraw/zinc/57/27/18/569572718.db2.gz MGBGAJKGIWEZED-FQEVSTJZSA-N 0 0 434.590 5.504 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl ZINC000009884848 569572794 /nfs/dbraw/zinc/57/27/94/569572794.db2.gz PKXPHCWJBKOVEF-UHFFFAOYSA-N 0 0 449.165 5.470 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 ZINC000009884634 569572795 /nfs/dbraw/zinc/57/27/95/569572795.db2.gz VOHSNZVUGIOENT-UHFFFAOYSA-N 0 0 444.535 5.964 50 0 IKAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1Cc1ccccc1 ZINC000009885116 569572837 /nfs/dbraw/zinc/57/28/37/569572837.db2.gz AXTSIBOQKPWFEK-QHCPKHFHSA-N 0 0 427.573 5.663 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000009892143 569572954 /nfs/dbraw/zinc/57/29/54/569572954.db2.gz ASSRRKOODLAXJZ-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1Cl ZINC000009892146 569572964 /nfs/dbraw/zinc/57/29/64/569572964.db2.gz LRDCBALMUDXNNK-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN Cc1cc(C)cc(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000009892739 569573002 /nfs/dbraw/zinc/57/30/02/569573002.db2.gz FRNGQULQXBHNJG-UHFFFAOYSA-N 0 0 439.523 5.026 50 0 IKAARN Cn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2cc(Oc3ccccc3)ccc21 ZINC000009892505 569573025 /nfs/dbraw/zinc/57/30/25/569573025.db2.gz MQJUOGQKKNGRTM-UHFFFAOYSA-N 0 0 429.495 5.072 50 0 IKAARN Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)CCc3ccccc3)cc2)c1C ZINC000009892515 569573026 /nfs/dbraw/zinc/57/30/26/569573026.db2.gz DQOMHFVAMSJGJK-UHFFFAOYSA-N 0 0 429.951 6.381 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc2c(Br)cccc12 ZINC000009906343 569573135 /nfs/dbraw/zinc/57/31/35/569573135.db2.gz MCVSIXINMNLYGD-UHFFFAOYSA-N 0 0 435.730 5.088 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cccc(Cl)c2)cc1 ZINC000009908166 569573152 /nfs/dbraw/zinc/57/31/52/569573152.db2.gz AYZYVXSUEWKWBB-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN CC(C)c1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000009908165 569573185 /nfs/dbraw/zinc/57/31/85/569573185.db2.gz SVOICOFLRQTNBL-UHFFFAOYSA-N 0 0 442.968 5.297 50 0 IKAARN CN(CC(=O)Nc1ccccc1SCc1ccccc1)Cc1nc2ccccc2s1 ZINC000009911412 569573221 /nfs/dbraw/zinc/57/32/21/569573221.db2.gz KVZQAVRKIFWSLV-UHFFFAOYSA-N 0 0 433.602 5.659 50 0 IKAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000009912062 569573263 /nfs/dbraw/zinc/57/32/63/569573263.db2.gz ILUOFAIELQWRSD-UHFFFAOYSA-N 0 0 436.558 5.156 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000009914585 569573399 /nfs/dbraw/zinc/57/33/99/569573399.db2.gz QDRDZJHEHWHLFF-UHFFFAOYSA-N 0 0 426.516 5.642 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1)c1ccco1 ZINC000009914455 569573403 /nfs/dbraw/zinc/57/34/03/569573403.db2.gz ZJVIRLSJNVPLMR-UHFFFAOYSA-N 0 0 429.910 5.623 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)c1 ZINC000009924811 569573542 /nfs/dbraw/zinc/57/35/42/569573542.db2.gz KSPZLOPLOUYXFU-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(-c3cccc(Br)c3)cc(C(F)(F)F)c12 ZINC000009933401 569573735 /nfs/dbraw/zinc/57/37/35/569573735.db2.gz YGMDRRDUACARBV-UHFFFAOYSA-N 0 0 432.243 6.177 50 0 IKAARN CCn1cc2nc(SCc3ccccc3Cl)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000009940030 569573930 /nfs/dbraw/zinc/57/39/30/569573930.db2.gz RITHIKZSBYRUBO-UHFFFAOYSA-N 0 0 445.375 5.260 50 0 IKAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1ccc(C)cc1C ZINC000009940879 569573960 /nfs/dbraw/zinc/57/39/60/569573960.db2.gz DUAIZFBITGPYEC-UHFFFAOYSA-N 0 0 446.580 5.261 50 0 IKAARN CCc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)cc1 ZINC000009941072 569573981 /nfs/dbraw/zinc/57/39/81/569573981.db2.gz CONPWUNEAIGTOX-UHFFFAOYSA-N 0 0 446.580 5.206 50 0 IKAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1ccc(C)c(C)c1 ZINC000009940873 569573990 /nfs/dbraw/zinc/57/39/90/569573990.db2.gz GKSVBYFCODHMOF-UHFFFAOYSA-N 0 0 446.580 5.261 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(Cl)cc1 ZINC000009942251 569574062 /nfs/dbraw/zinc/57/40/62/569574062.db2.gz CJONTDFRGGHNDU-LJQANCHMSA-N 0 0 440.956 5.076 50 0 IKAARN COc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccn4)n3)n2)cc1Cl ZINC000009942889 569574084 /nfs/dbraw/zinc/57/40/84/569574084.db2.gz KHTWRYRMBLPQGA-UHFFFAOYSA-N 0 0 442.953 5.172 50 0 IKAARN O=C(c1ccco1)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl ZINC000009948597 569574133 /nfs/dbraw/zinc/57/41/33/569574133.db2.gz QJTWWWJMNHGSDW-UHFFFAOYSA-N 0 0 442.306 5.091 50 0 IKAARN CC(C)CC(=O)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl ZINC000009948606 569574147 /nfs/dbraw/zinc/57/41/47/569574147.db2.gz PMVYKEJPXJULTD-UHFFFAOYSA-N 0 0 432.355 5.495 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(C)c(Cc3ccccc3)[nH]2)cs1)c1ccccc1 ZINC000009946492 569574169 /nfs/dbraw/zinc/57/41/69/569574169.db2.gz YMUSJZSDALWFIW-UHFFFAOYSA-N 0 0 434.590 5.742 50 0 IKAARN CC(=O)c1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000009949738 569574273 /nfs/dbraw/zinc/57/42/73/569574273.db2.gz JOHOLNRZSAFDDQ-NRFANRHFSA-N 0 0 430.485 5.004 50 0 IKAARN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1NC(=O)c1ccco1 ZINC000009950286 569574319 /nfs/dbraw/zinc/57/43/19/569574319.db2.gz XCQNHCRQKCTBSL-GOSISDBHSA-N 0 0 445.544 5.470 50 0 IKAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000009950290 569574351 /nfs/dbraw/zinc/57/43/51/569574351.db2.gz FCVMOMWZUQNOPN-OAQYLSRUSA-N 0 0 426.541 5.547 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000009950719 569574366 /nfs/dbraw/zinc/57/43/66/569574366.db2.gz POLIUJZYAONLOZ-UHFFFAOYSA-N 0 0 437.330 5.679 50 0 IKAARN COc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@H]2CCCO2)cc1 ZINC000009951148 569574473 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O=c1c2sccc2nc(SCCc2ccccc2)n1CCc1ccc(Cl)cc1 ZINC000071327642 569575302 /nfs/dbraw/zinc/57/53/02/569575302.db2.gz NNEIITAEPCNOAO-UHFFFAOYSA-N 0 0 426.994 5.689 50 0 IKAARN CCCCc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1 ZINC000071327922 569575436 /nfs/dbraw/zinc/57/54/36/569575436.db2.gz JQESQJQTYOEHQO-UHFFFAOYSA-N 0 0 431.580 5.206 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000071328061 569575456 /nfs/dbraw/zinc/57/54/56/569575456.db2.gz VPDYQOCAGYVHSH-UHFFFAOYSA-N 0 0 437.609 5.792 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000071328050 569575484 /nfs/dbraw/zinc/57/54/84/569575484.db2.gz FGZFKVOBYYJKHT-UHFFFAOYSA-N 0 0 445.535 5.453 50 0 IKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)N2CCc3ccccc32)cc1 ZINC000071328068 569575489 /nfs/dbraw/zinc/57/54/89/569575489.db2.gz RGINPMQRIQYXHU-UHFFFAOYSA-N 0 0 435.593 5.125 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)NC(C)C)nc2scc(-c3ccccc3)c2c1=O ZINC000009962416 569575700 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O=C([O-])c1c(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000009968991 569575941 /nfs/dbraw/zinc/57/59/41/569575941.db2.gz HWUJBJPCYXHUME-UHFFFAOYSA-N 0 0 448.906 5.060 50 0 IKAARN O=C([O-])c1c(C[NH2+][C@@H]2CCCc3ccccc32)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000009969013 569575948 /nfs/dbraw/zinc/57/59/48/569575948.db2.gz JDCYHAURFAIFJK-XMMPIXPASA-N 0 0 444.962 6.208 50 0 IKAARN O=C([O-])c1c(C[NH2+][C@H]2CCCc3ccccc32)c2ccccc2n1Cc1ccccc1F ZINC000009969034 569575952 /nfs/dbraw/zinc/57/59/52/569575952.db2.gz YTRRQCKPVJENGA-DEOSSOPVSA-N 0 0 428.507 5.694 50 0 IKAARN C[C@@H](C[NH2+]Cc1c2ccccc2n(Cc2cccc(Cl)c2)c1C(=O)[O-])c1ccccc1 ZINC000009968998 569575983 /nfs/dbraw/zinc/57/59/83/569575983.db2.gz WNMDMRKYXWFDJZ-SFHVURJKSA-N 0 0 432.951 5.935 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(C)c(C)c3)c2c1 ZINC000009969874 569576082 /nfs/dbraw/zinc/57/60/82/569576082.db2.gz QWOVVUONSXJDJL-UHFFFAOYSA-N 0 0 432.545 5.827 50 0 IKAARN CCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009969432 569576097 /nfs/dbraw/zinc/57/60/97/569576097.db2.gz KPZOBKFHCGDHRD-UHFFFAOYSA-N 0 0 449.503 5.145 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000009969948 569576155 /nfs/dbraw/zinc/57/61/55/569576155.db2.gz PZJAGYPCPAXDTE-FQEVSTJZSA-N 0 0 445.994 6.274 50 0 IKAARN CCOc1ccccc1-c1cc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)on1 ZINC000009970101 569576184 /nfs/dbraw/zinc/57/61/84/569576184.db2.gz PRFNNVFGJIPRNK-UHFFFAOYSA-N 0 0 432.501 5.922 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000009970991 569576212 /nfs/dbraw/zinc/57/62/12/569576212.db2.gz XHPFVIILHXXBQR-LJAQVGFWSA-N 0 0 444.534 6.589 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000009970832 569576223 /nfs/dbraw/zinc/57/62/23/569576223.db2.gz ROWUVTUVNFDMJM-UHFFFAOYSA-N 0 0 445.544 5.353 50 0 IKAARN CCCN(CCC)c1ccc(C(=S)N2CCN(C(=S)Nc3ccccc3)CC2)cc1 ZINC000009971506 569576246 /nfs/dbraw/zinc/57/62/46/569576246.db2.gz 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O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000071405328 569576885 /nfs/dbraw/zinc/57/68/85/569576885.db2.gz RDOZYSPYQDCINW-UHFFFAOYSA-N 0 0 440.480 5.002 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccc(F)cc1 ZINC000009988996 569576900 /nfs/dbraw/zinc/57/69/00/569576900.db2.gz MAEQRXPXNUIBJA-UHFFFAOYSA-N 0 0 430.574 5.306 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000009993506 569576949 /nfs/dbraw/zinc/57/69/49/569576949.db2.gz PXZPIDJYLNZYMM-UHFFFAOYSA-N 0 0 434.923 6.806 50 0 IKAARN C[C@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c3c21 ZINC000009993252 569576959 /nfs/dbraw/zinc/57/69/59/569576959.db2.gz RKCCFSABTIORMY-INIZCTEOSA-N 0 0 446.597 5.862 50 0 IKAARN Nc1c2c(nc(-c3cccs3)cc2-c2ccccc2)sc1[S@@](=O)Cc1ccccc1 ZINC000009993129 569576973 /nfs/dbraw/zinc/57/69/73/569576973.db2.gz HKGXWEOTXBWVLA-SSEXGKCCSA-N 0 0 446.622 6.582 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1Nc1ccccc1 ZINC000010013000 569577010 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50 0 IKAARN CCCCCCc1cc2c(cc1OCc1cccc(Cl)c1)oc(=O)cc2-c1ccccc1 ZINC000010013978 569577095 /nfs/dbraw/zinc/57/70/95/569577095.db2.gz LRKHJYSLVJMGTK-UHFFFAOYSA-N 0 0 446.974 7.815 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccc(C(=O)OC)cc1)oc(=O)c1c2CCCC1 ZINC000010013981 569577128 /nfs/dbraw/zinc/57/71/28/569577128.db2.gz OERSSZTUGZKNBA-UHFFFAOYSA-N 0 0 448.559 6.160 50 0 IKAARN Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc43)nc21 ZINC000010020917 569577152 /nfs/dbraw/zinc/57/71/52/569577152.db2.gz QHJWDEFSYRYNMH-UHFFFAOYSA-N 0 0 443.959 6.653 50 0 IKAARN CC(C)Sc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3F)s2)cc1 ZINC000010020356 569577192 /nfs/dbraw/zinc/57/71/92/569577192.db2.gz FBNSSYRXYZOVOT-UHFFFAOYSA-N 0 0 437.565 6.178 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2Cc2ccco2)c1 ZINC000010022085 569577195 /nfs/dbraw/zinc/57/71/95/569577195.db2.gz VXKXOBZVHUHHEF-UHFFFAOYSA-N 0 0 444.560 5.114 50 0 IKAARN O=C(CNc1nc2ccccc2c(-c2ccccc2)n1)Nc1ccccc1Br ZINC000010022466 569577281 /nfs/dbraw/zinc/57/72/81/569577281.db2.gz XMYZCQJCFCKHQA-UHFFFAOYSA-N 0 0 433.309 5.110 50 0 IKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000010035379 569577377 /nfs/dbraw/zinc/57/73/77/569577377.db2.gz RATRTLPDSFQTGS-XMMPIXPASA-N 0 0 425.488 5.034 50 0 IKAARN COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000010035210 569577390 /nfs/dbraw/zinc/57/73/90/569577390.db2.gz IXGPLDBBFINXDQ-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4Cl)c3)nc2c1 ZINC000010035196 569577393 /nfs/dbraw/zinc/57/73/93/569577393.db2.gz ICWQXEWKKGXLQD-UHFFFAOYSA-N 0 0 439.899 5.723 50 0 IKAARN CC(C)c1ccc(CC(=O)N(Cc2ccco2)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000010097104 569577757 /nfs/dbraw/zinc/57/77/57/569577757.db2.gz HIXCUCQLCQJYSJ-UHFFFAOYSA-N 0 0 426.488 6.067 50 0 IKAARN Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c(Br)c1 ZINC000010139808 569578143 /nfs/dbraw/zinc/57/81/43/569578143.db2.gz GKQDJORWIWPPBP-UHFFFAOYSA-N 0 0 426.358 5.057 50 0 IKAARN CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc21 ZINC000010187569 569578564 /nfs/dbraw/zinc/57/85/64/569578564.db2.gz MFCNUUJAXABJQQ-UHFFFAOYSA-N 0 0 429.954 5.652 50 0 IKAARN O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000010187583 569578567 /nfs/dbraw/zinc/57/85/67/569578567.db2.gz GHCUJVYIKOWUAQ-UHFFFAOYSA-N 0 0 448.342 5.501 50 0 IKAARN COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc21 ZINC000010187689 569578625 /nfs/dbraw/zinc/57/86/25/569578625.db2.gz JXJFHGXVMJNJBN-UHFFFAOYSA-N 0 0 429.954 5.570 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000010187988 569578762 /nfs/dbraw/zinc/57/87/62/569578762.db2.gz KKANKGYRMDKIRS-UHFFFAOYSA-N 0 0 440.343 5.187 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000010188129 569578801 /nfs/dbraw/zinc/57/88/01/569578801.db2.gz FOCDSOONMYNATN-UHFFFAOYSA-N 0 0 443.522 5.026 50 0 IKAARN Fc1ccccc1-n1cnnc1SCc1csc(COc2ccc(Cl)cc2)n1 ZINC000010193608 569578940 /nfs/dbraw/zinc/57/89/40/569578940.db2.gz 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Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(OC(C)C)c1)N(c1nccs1)C3=O ZINC000010233178 569579497 /nfs/dbraw/zinc/57/94/97/569579497.db2.gz HKQRZIZWNSWIDI-OAQYLSRUSA-N 0 0 446.528 5.403 50 0 IKAARN C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1cccc(C(F)(F)F)c1 ZINC000010237042 569579685 /nfs/dbraw/zinc/57/96/85/569579685.db2.gz DSZDZSUXIBEOQU-ZDUSSCGKSA-N 0 0 447.457 5.641 50 0 IKAARN Cc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000010246903 569579722 /nfs/dbraw/zinc/57/97/22/569579722.db2.gz DCMIAOYBSLAPCR-UHFFFAOYSA-N 0 0 428.444 5.017 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1OC ZINC000010246645 569579731 /nfs/dbraw/zinc/57/97/31/569579731.db2.gz GMRGSNYQOWLAEF-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(OC)cc1 ZINC000010245841 569579747 /nfs/dbraw/zinc/57/97/47/569579747.db2.gz WMNUXPAAAZPKFC-UHFFFAOYSA-N 0 0 444.487 5.274 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1Cl ZINC000010245776 569579751 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Fc1ccc(-c2ccc(-c3cc(-c4ccccc4)nnc3-c3ccccc3)o2)cc1Cl ZINC000010272151 569580174 /nfs/dbraw/zinc/58/01/74/569580174.db2.gz FSDGXGHTUFGPDD-UHFFFAOYSA-N 0 0 426.878 7.530 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc12 ZINC000010285257 569580468 /nfs/dbraw/zinc/58/04/68/569580468.db2.gz GRXAENSSTHGAFC-AWEZNQCLSA-N 0 0 441.906 5.522 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccccc4Cl)no3)c(C)c2c1 ZINC000071761899 569580646 /nfs/dbraw/zinc/58/06/46/569580646.db2.gz XCCURVJFTPOMBX-UHFFFAOYSA-N 0 0 445.928 5.142 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 ZINC000010336732 569581142 /nfs/dbraw/zinc/58/11/42/569581142.db2.gz SOEVTCLAOPWVQX-WOJBJXKFSA-N 0 0 437.887 5.087 50 0 IKAARN Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000010343824 569581353 /nfs/dbraw/zinc/58/13/53/569581353.db2.gz GZEINECLXBOMMX-UHFFFAOYSA-N 0 0 430.861 6.737 50 0 IKAARN C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000010358733 569581441 /nfs/dbraw/zinc/58/14/41/569581441.db2.gz BMEKCIRLCWKLDT-KRWDZBQOSA-N 0 0 430.529 5.466 50 0 IKAARN CCc1cc2c(nc(SCC(=O)c3cccs3)n(-c3ccc(Cl)cc3)c2=O)s1 ZINC000010381704 569581671 /nfs/dbraw/zinc/58/16/71/569581671.db2.gz YCIREWCRUHTKOO-UHFFFAOYSA-N 0 0 447.006 5.700 50 0 IKAARN Cc1ccc(Cl)c2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000010381617 569581683 /nfs/dbraw/zinc/58/16/83/569581683.db2.gz DQBFTBJJVMWETP-SOFGYWHQSA-N 0 0 442.997 5.653 50 0 IKAARN Cc1c2nc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)sc2ccc1Cl ZINC000010381624 569581716 /nfs/dbraw/zinc/58/17/16/569581716.db2.gz UMJMZTVAAMJYFO-VMPITWQZSA-N 0 0 442.997 5.653 50 0 IKAARN CCOc1ccccc1Nc1nnc(SCc2nc3sc(C)c(C)c3c(N)n2)s1 ZINC000010396013 569581884 /nfs/dbraw/zinc/58/18/84/569581884.db2.gz MXUCQPGXHFHLDE-UHFFFAOYSA-N 0 0 444.611 5.176 50 0 IKAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000010427471 569582056 /nfs/dbraw/zinc/58/20/56/569582056.db2.gz BAFKBOBEXACZNU-OAQYLSRUSA-N 0 0 448.935 5.121 50 0 IKAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC2(C)C)cc1OC ZINC000010433626 569582097 /nfs/dbraw/zinc/58/20/97/569582097.db2.gz MVLFXOZFUCBCID-UHFFFAOYSA-N 0 0 437.348 5.019 50 0 IKAARN CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000010434537 569582145 /nfs/dbraw/zinc/58/21/45/569582145.db2.gz GDECOISQDRHFSI-QHCPKHFHSA-N 0 0 440.503 5.229 50 0 IKAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000071835319 569582170 /nfs/dbraw/zinc/58/21/70/569582170.db2.gz AKKXEFGXVUDRQI-UHFFFAOYSA-N 0 0 442.953 5.796 50 0 IKAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(F)cc1F ZINC000010441859 569582201 /nfs/dbraw/zinc/58/22/01/569582201.db2.gz IOWFQIPHSJANPA-UHFFFAOYSA-N 0 0 448.454 5.006 50 0 IKAARN COc1ccc2c(c1)CCc1cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)sc1-2 ZINC000010444663 569582235 /nfs/dbraw/zinc/58/22/35/569582235.db2.gz HBEJVHOCHRSSEZ-UHFFFAOYSA-N 0 0 446.572 5.013 50 0 IKAARN CC(C)COc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000002145355 569583056 /nfs/dbraw/zinc/58/30/56/569583056.db2.gz LXXXXRVVROJECT-UHFFFAOYSA-N 0 0 445.997 5.625 50 0 IKAARN COc1cc(-c2nc(C)c(C(=O)Nc3nc4ccccc4s3)s2)cc(OC)c1OC ZINC000013686646 569584173 /nfs/dbraw/zinc/58/41/73/569584173.db2.gz PQOOUMXESPYPRV-UHFFFAOYSA-N 0 0 441.534 5.006 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 ZINC000009087683 569584191 /nfs/dbraw/zinc/58/41/91/569584191.db2.gz ZPSHUNLKHHIKTP-FYWRMAATSA-N 0 0 442.540 6.050 50 0 IKAARN Clc1ccccc1CSc1nc2ccccc2c(NCc2ccc3c(c2)OCO3)n1 ZINC000575615904 569585055 /nfs/dbraw/zinc/58/50/55/569585055.db2.gz IZKUQFNCXLTEEY-UHFFFAOYSA-N 0 0 435.936 5.916 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177389 569585812 /nfs/dbraw/zinc/58/58/12/569585812.db2.gz XBRMMILTTGXFDU-CYBMUJFWSA-N 0 0 435.446 5.383 50 0 IKAARN Cc1cccc(CC(=O)N(CCn2cccn2)c2nc3c(cccc3C(F)(F)F)s2)c1 ZINC000077177564 569585863 /nfs/dbraw/zinc/58/58/63/569585863.db2.gz YATIVDABHXUMPF-UHFFFAOYSA-N 0 0 444.482 5.096 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177516 569585884 /nfs/dbraw/zinc/58/58/84/569585884.db2.gz ZADJJCYGSUGDSK-ZDUSSCGKSA-N 0 0 446.935 5.418 50 0 IKAARN O=C(c1cc(Br)ccc1Cl)N1CCC(COCc2ccc(F)cc2)CC1 ZINC000077191501 569585989 /nfs/dbraw/zinc/58/59/89/569585989.db2.gz NHFKOTJWNVAWLW-UHFFFAOYSA-N 0 0 440.740 5.311 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077197897 569586194 /nfs/dbraw/zinc/58/61/94/569586194.db2.gz DWAKNGIVMOAJDH-PCUGXKRQSA-N 0 0 427.932 5.417 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077197898 569586196 /nfs/dbraw/zinc/58/61/96/569586196.db2.gz DWAKNGIVMOAJDH-LPQFERQCSA-N 0 0 427.932 5.417 50 0 IKAARN O=C(c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)N1CCC1 ZINC000023434818 569587268 /nfs/dbraw/zinc/58/72/68/569587268.db2.gz VHOVPLVRHSSNLF-UHFFFAOYSA-N 0 0 439.359 5.423 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)p2)cc1 ZINC000025557779 569587299 /nfs/dbraw/zinc/58/72/99/569587299.db2.gz CUUPNWOCXVZLCV-UHFFFAOYSA-N 0 0 430.487 8.943 50 0 IKAARN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003978270 291398433 /nfs/dbraw/zinc/39/84/33/291398433.db2.gz JFSHUTJDVKUMTJ-QHPUVITPSA-N 0 0 426.729 8.169 50 0 biogenic,in-vitro IKAARN CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4 ZINC000004082224 291398588 /nfs/dbraw/zinc/39/85/88/291398588.db2.gz MCSMMGJCXCBSKD-XCHVDQMNSA-N 0 0 426.729 8.313 50 0 biogenic,in-vitro IKAARN COc1cc(C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1 ZINC000000622370 193859303 /nfs/dbraw/zinc/85/93/03/193859303.db2.gz JHSNXSSZULJPQK-UHFFFAOYSA-N 0 0 426.310 5.597 50 0 IKAARN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Br)cc1 ZINC000000623804 193860152 /nfs/dbraw/zinc/86/01/52/193860152.db2.gz VPHMWENLYIGZLT-UHFFFAOYSA-N 0 0 427.689 5.089 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC000000625841 193860810 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COc1ccc(Oc2coc3cc(OC(=O)c4cccc5ccccc54)ccc3c2=O)cc1 ZINC000000645459 193869509 /nfs/dbraw/zinc/86/95/09/193869509.db2.gz QREASOXZPIYJQT-UHFFFAOYSA-N 0 0 438.435 5.966 50 0 IKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3c2=O)cc1 ZINC000000645458 193869549 /nfs/dbraw/zinc/86/95/49/193869549.db2.gz WFNFOCWVUHZNRV-UHFFFAOYSA-N 0 0 446.455 5.384 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)cc1OC ZINC000000646193 193869907 /nfs/dbraw/zinc/86/99/07/193869907.db2.gz HKFVANYKMNCOCC-VWLOTQADSA-N 0 0 432.545 6.020 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000000647785 193870887 /nfs/dbraw/zinc/87/08/87/193870887.db2.gz FASYLXLVESZMSR-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 ZINC000000648276 193870895 /nfs/dbraw/zinc/87/08/95/193870895.db2.gz GNMQXMTUYHIOJL-UHFFFAOYSA-N 0 0 434.565 5.248 50 0 IKAARN Cc1cccc(-c2cc(C(=O)NCCC3=CCCCC3)c3cc(Br)ccc3n2)c1 ZINC000000650679 193872092 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5.836 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4F)sc3n2)c1 ZINC000000661266 193876288 /nfs/dbraw/zinc/87/62/88/193876288.db2.gz CNVYIKWDDPTKTP-UHFFFAOYSA-N 0 0 427.888 5.599 50 0 aggregator IKAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000661159 193876316 /nfs/dbraw/zinc/87/63/16/193876316.db2.gz APBBJNQXSZYMCY-UHFFFAOYSA-N 0 0 448.857 5.865 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3)cc(C(=S)N3CCOCC3)c2-c2ccccc2)cc1 ZINC000000663153 193877240 /nfs/dbraw/zinc/87/72/40/193877240.db2.gz RUEJPEZFYAIGRD-UHFFFAOYSA-N 0 0 438.596 6.127 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCc2ccncc2)cc1 ZINC000006131614 193880078 /nfs/dbraw/zinc/88/00/78/193880078.db2.gz HHTQXYLIYSQSMM-UHFFFAOYSA-N 0 0 439.924 5.143 50 0 IKAARN O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(Cl)cc3Cl)sc2n1 ZINC000006143842 193883184 /nfs/dbraw/zinc/88/31/84/193883184.db2.gz BWAIDKUKKAAUER-UHFFFAOYSA-N 0 0 427.312 6.067 50 0 IKAARN CCOc1ccc(N[C@H](c2c3ccccc3n(C)c2-c2ccccc2)c2ccccn2)cc1 ZINC000006144148 193883402 /nfs/dbraw/zinc/88/34/02/193883402.db2.gz MBKBTDVGVNRLLV-NDEPHWFRSA-N 0 0 433.555 6.841 50 0 IKAARN COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)occ(Oc2cccc(C)c2)c3=O)c1 ZINC000006162614 193887389 /nfs/dbraw/zinc/88/73/89/193887389.db2.gz PGNBFNXXYDEPLM-UHFFFAOYSA-N 0 0 432.428 5.130 50 0 IKAARN O=C(Nc1nc2c(cc(F)c(F)c2F)s1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006191283 193889723 /nfs/dbraw/zinc/88/97/23/193889723.db2.gz VJZVWSUECVMYMV-UHFFFAOYSA-N 0 0 436.418 5.576 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000006232529 193892590 /nfs/dbraw/zinc/89/25/90/193892590.db2.gz VAWZYEBCDGJDBN-QRYOBCIFSA-N 0 0 445.990 6.883 50 0 IKAARN COc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2cc(C)ccc2C)c1C(=O)[O-] ZINC000009833320 193899889 /nfs/dbraw/zinc/89/98/89/193899889.db2.gz FGXHLKXIJVAYEQ-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN Cc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 ZINC000009833502 193900332 /nfs/dbraw/zinc/90/03/32/193900332.db2.gz CTMNLWFJLRSKLH-UHFFFAOYSA-N 0 0 449.142 5.691 50 0 IKAARN CCOC(=O)c1cnn(-c2cccc(Cl)c2C)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009835557 193901990 /nfs/dbraw/zinc/90/19/90/193901990.db2.gz ITGDUGWXJTZULT-UHFFFAOYSA-N 0 0 447.963 5.125 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)sc2c1 ZINC000009836571 193902605 /nfs/dbraw/zinc/90/26/05/193902605.db2.gz SNNHJLVTEHHQIN-UHFFFAOYSA-N 0 0 446.454 5.460 50 0 IKAARN CCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009847456 193905523 /nfs/dbraw/zinc/90/55/23/193905523.db2.gz XIXLXDDYWHTCQY-UHFFFAOYSA-N 0 0 445.540 5.314 50 0 IKAARN CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2cccc(OC)c2)cc1 ZINC000009847325 193905541 /nfs/dbraw/zinc/90/55/41/193905541.db2.gz WHFAHAKJZSYHEU-UHFFFAOYSA-N 0 0 432.545 5.691 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)c1C ZINC000009846579 193904723 /nfs/dbraw/zinc/90/47/23/193904723.db2.gz NFDPCDBYZDCUGG-IINYFYTJSA-N 0 0 443.594 5.434 50 0 IKAARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1Cl 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GQBLDEFEPGSZOW-UHFFFAOYSA-N 0 0 429.911 5.527 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009861018 193911367 /nfs/dbraw/zinc/91/13/67/193911367.db2.gz SYWLLVHXTWTJRH-UHFFFAOYSA-N 0 0 448.478 5.319 50 0 IKAARN CSCC[C@@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc2ccccc2[nH]1 ZINC000050742401 193922154 /nfs/dbraw/zinc/92/21/54/193922154.db2.gz GTRHHUCOSCOYPH-HXUWFJFHSA-N 0 0 436.606 5.148 50 0 IKAARN COc1ccc(-c2nc(CC(=O)N[C@H]3CCCc4c5cc(OC)ccc5[nH]c43)cs2)cc1 ZINC000096223577 193936774 /nfs/dbraw/zinc/93/67/74/193936774.db2.gz VFYVHGLBBLFGMW-QFIPXVFZSA-N 0 0 447.560 5.045 50 0 IKAARN COc1ccc2[nH]cc([C@@H](CCc3ccccc3)CC(=O)NCCc3ccccn3)c2c1 ZINC000096275267 193951294 /nfs/dbraw/zinc/95/12/94/193951294.db2.gz DABRHNIWANCCTK-NRFANRHFSA-N 0 0 427.548 5.037 50 0 IKAARN COc1ccc([C@H](CC(=O)N2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096275342 193951626 /nfs/dbraw/zinc/95/16/26/193951626.db2.gz ZODUNKSQSZPXBZ-SANMLTNESA-N 0 0 438.571 5.843 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(C)cc3)no2)CCc2ccccc2)cc1 ZINC000096276131 193952091 /nfs/dbraw/zinc/95/20/91/193952091.db2.gz ABWAYESQAKSZGB-UHFFFAOYSA-N 0 0 425.532 5.281 50 0 IKAARN Cc1ccc(-c2noc(CCN(C(=O)CC(C)C)[C@@H](C)c3ccccc3)n2)cc1Cl ZINC000096276210 193952157 /nfs/dbraw/zinc/95/21/57/193952157.db2.gz AGUJTCFCVZKSHC-SFHVURJKSA-N 0 0 425.960 5.877 50 0 IKAARN Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000096277011 193952812 /nfs/dbraw/zinc/95/28/12/193952812.db2.gz FILXVCQXTLRKLL-UHFFFAOYSA-N 0 0 431.923 5.584 50 0 IKAARN Cc1ccc([P@](=Nc2ccccc2)(N2CCN(c3ccccc3F)CC2)C(C)(C)C)o1 ZINC000009087019 132226758 /nfs/dbraw/zinc/22/67/58/132226758.db2.gz RTVAUZXOYIXDAA-HKBQPEDESA-N 0 0 439.515 6.421 50 0 IKAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000000625651 132227916 /nfs/dbraw/zinc/22/79/16/132227916.db2.gz HFCCLOCBCJPIRQ-UHFFFAOYSA-N 0 0 443.549 5.963 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000663228 132228665 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5.107 50 0 IKAARN FC(F)(F)COc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCCCC2)n1 ZINC000000771836 132230153 /nfs/dbraw/zinc/23/01/53/132230153.db2.gz VGIWCQVTIHAINV-UHFFFAOYSA-N 0 0 429.446 5.273 50 0 IKAARN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21 ZINC000000827011 132231375 /nfs/dbraw/zinc/23/13/75/132231375.db2.gz MPOFHNPLTNLFTC-UHFFFAOYSA-N 0 0 428.439 5.070 50 0 IKAARN Cc1cc(C)n(CC(=O)N2c3cc(C)c(C)cc3-c3c(=S)ssc3C2(C)C)n1 ZINC000000841629 132231513 /nfs/dbraw/zinc/23/15/13/132231513.db2.gz XJYGNVQKJPYCGQ-UHFFFAOYSA-N 0 0 429.636 5.918 50 0 IKAARN COc1cc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc(OC)c1OC ZINC000000849825 132231549 /nfs/dbraw/zinc/23/15/49/132231549.db2.gz QFIXBHWXPCSEAH-DYESRHJHSA-N 0 0 432.520 5.305 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000854360 132231697 /nfs/dbraw/zinc/23/16/97/132231697.db2.gz SAIOGYNYSKZBPD-UHFFFAOYSA-N 0 0 441.883 6.350 50 0 IKAARN COc1cc(C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc(OC)c1OC ZINC000000852630 132231707 /nfs/dbraw/zinc/23/17/07/132231707.db2.gz ALHVUADEUYNWHD-NDEPHWFRSA-N 0 0 445.559 5.848 50 0 IKAARN COc1cc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000000849826 132231742 /nfs/dbraw/zinc/23/17/42/132231742.db2.gz QFIXBHWXPCSEAH-UWJYYQICSA-N 0 0 432.520 5.305 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc2ccccc21 ZINC000009569286 132231974 /nfs/dbraw/zinc/23/19/74/132231974.db2.gz VZLXBCSNBPPGBB-UHFFFAOYSA-N 0 0 448.569 5.295 50 0 IKAARN COc1ccc(C(=O)N2c3cc(OC)ccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000000898789 132233561 /nfs/dbraw/zinc/23/35/61/132233561.db2.gz PVTMPKWSDFQDER-UHFFFAOYSA-N 0 0 429.588 6.119 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C ZINC000000898907 132233609 /nfs/dbraw/zinc/23/36/09/132233609.db2.gz BOWKEENIZXXJPN-KBMIEXCESA-N 0 0 430.523 6.139 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000009670644 132234691 /nfs/dbraw/zinc/23/46/91/132234691.db2.gz RPWGUBVLZOCXNB-GOSISDBHSA-N 0 0 426.549 5.093 50 0 IKAARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccccc5)o4)S3)CC2)cc1 ZINC000000950646 132235953 /nfs/dbraw/zinc/23/59/53/132235953.db2.gz GTOJDRPGXUKMFR-QJOMJCCJSA-N 0 0 429.545 5.048 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cccc(Br)c1 ZINC000000978189 132236583 /nfs/dbraw/zinc/23/65/83/132236583.db2.gz GEMYDOSZPPVEOH-UHFFFAOYSA-N 0 0 435.321 5.294 50 0 IKAARN Cc1ccc(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc(N3CCOCC3)n2)cc1C ZINC000009708828 132237070 /nfs/dbraw/zinc/23/70/70/132237070.db2.gz FJFRVEDSTLYAPK-UHFFFAOYSA-N 0 0 445.354 5.119 50 0 IKAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2ccccc2c1 ZINC000009714680 132237206 /nfs/dbraw/zinc/23/72/06/132237206.db2.gz SUEKNUMDLXFWDA-UHFFFAOYSA-N 0 0 444.560 5.088 50 0 IKAARN Cc1c(OCC(=O)N2CCCc3ccccc32)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001155617 132237908 /nfs/dbraw/zinc/23/79/08/132237908.db2.gz QORQQEKWAHTYBA-UHFFFAOYSA-N 0 0 425.484 5.127 50 0 IKAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000001161542 132238021 /nfs/dbraw/zinc/23/80/21/132238021.db2.gz YRKWVTQUWJVORP-UHFFFAOYSA-N 0 0 440.971 5.734 50 0 IKAARN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O ZINC000001225050 132240411 /nfs/dbraw/zinc/24/04/11/132240411.db2.gz HVRVTBOXNLPZTA-UHFFFAOYSA-N 0 0 445.569 5.338 50 0 IKAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc2ccccc2c1 ZINC000001264626 132241196 /nfs/dbraw/zinc/24/11/96/132241196.db2.gz NJFUBPUPZGSWRK-UHFFFAOYSA-N 0 0 441.556 5.116 50 0 IKAARN C[C@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000001381869 132244448 /nfs/dbraw/zinc/24/44/48/132244448.db2.gz YXPDQVGYCLFZGB-HNNXBMFYSA-N 0 0 425.315 5.576 50 0 IKAARN C[C@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000001381899 132244467 /nfs/dbraw/zinc/24/44/67/132244467.db2.gz PPWKIAFFMWGZFR-HNNXBMFYSA-N 0 0 442.412 5.427 50 0 IKAARN C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000001381868 132244487 /nfs/dbraw/zinc/24/44/87/132244487.db2.gz JVANRRBBQNGHCR-CQSZACIVSA-N 0 0 443.305 5.715 50 0 IKAARN C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1F ZINC000001381918 132244642 /nfs/dbraw/zinc/24/46/42/132244642.db2.gz URPRSPZNDUMYPR-AWEZNQCLSA-N 0 0 426.850 5.200 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000001447744 132245572 /nfs/dbraw/zinc/24/55/72/132245572.db2.gz JZHYGSMCUBOIET-RTBURBONSA-N 0 0 428.536 5.100 50 0 IKAARN CC1=CC(C)(C)N(C(=O)c2cccc(Cl)c2)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000001761017 132246628 /nfs/dbraw/zinc/24/66/28/132246628.db2.gz OPBGRCLVGYOABZ-UHFFFAOYSA-N 0 0 431.919 6.402 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C ZINC000002054469 132247664 /nfs/dbraw/zinc/24/76/64/132247664.db2.gz GKCZEAWOZPUETJ-RXFWQSSRSA-N 0 0 444.550 6.529 50 0 IKAARN Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3-c3c(ssc3=S)C2(C)C)cc1 ZINC000002052738 132247665 /nfs/dbraw/zinc/24/76/65/132247665.db2.gz PQEASTVKXXGXRW-UHFFFAOYSA-N 0 0 433.645 6.267 50 0 IKAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)COc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000002059720 132247788 /nfs/dbraw/zinc/24/77/88/132247788.db2.gz MNZVYGPWPOINTN-MHZLTWQESA-N 0 0 433.979 6.549 50 0 IKAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(N(C)C)cc1 ZINC000002062255 132247792 /nfs/dbraw/zinc/24/77/92/132247792.db2.gz MXFXXNXJNDOJFD-UHFFFAOYSA-N 0 0 448.563 5.031 50 0 IKAARN O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1c1ccc2ccccc2c1 ZINC000002070722 132247977 /nfs/dbraw/zinc/24/79/77/132247977.db2.gz UPRLCXDZMCTUBJ-QHCPKHFHSA-N 0 0 429.317 6.373 50 0 IKAARN Cc1ccc(C(=O)N2c3ccc(C(C)(C)C)cc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002080856 132247980 /nfs/dbraw/zinc/24/79/80/132247980.db2.gz JPBUXTDBFCUCDY-UHFFFAOYSA-N 0 0 439.671 7.708 50 0 IKAARN Cc1ccc2c(c1)N(C(=O)CSc1nncn1C)C(C)(C)c1ssc(=S)c1-2 ZINC000002085972 132248082 /nfs/dbraw/zinc/24/80/82/132248082.db2.gz UDMYDZOHMHAOLI-UHFFFAOYSA-N 0 0 434.637 5.017 50 0 IKAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002090044 132248143 /nfs/dbraw/zinc/24/81/43/132248143.db2.gz XVVJBPPGERDDDW-INIZCTEOSA-N 0 0 430.910 6.676 50 0 IKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002090045 132248170 /nfs/dbraw/zinc/24/81/70/132248170.db2.gz XVVJBPPGERDDDW-MRXNPFEDSA-N 0 0 430.910 6.676 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)N3c4ccccc4Sc4ccccc43)ccc21 ZINC000002178412 132248285 /nfs/dbraw/zinc/24/82/85/132248285.db2.gz WOFBKISGMCCFSP-UHFFFAOYSA-N 0 0 435.552 7.649 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1sc2ccccc2c1Cl ZINC000002160898 132248307 /nfs/dbraw/zinc/24/83/07/132248307.db2.gz VKEIERXKQVKMFT-UHFFFAOYSA-N 0 0 438.902 6.816 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1c1ccccc1 ZINC000002177267 132248348 /nfs/dbraw/zinc/24/83/48/132248348.db2.gz UCZOCOGAZPEFKZ-AREMUKBSSA-N 0 0 440.930 6.690 50 0 IKAARN FC(F)(F)Oc1ccc(Nc2nc(NCc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000002192062 132248487 /nfs/dbraw/zinc/24/84/87/132248487.db2.gz ROQOZNZXMHPIGP-UHFFFAOYSA-N 0 0 444.461 5.116 50 0 IKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccccc1Cl ZINC000002196669 132248697 /nfs/dbraw/zinc/24/86/97/132248697.db2.gz HJJSXTVEKIQVBX-UHFFFAOYSA-N 0 0 434.007 6.764 50 0 IKAARN Cc1nn2c(nc(C(C)C)cc2N2CCN(c3ccccc3C)CC2)c1-c1ccccc1 ZINC000002203142 132248876 /nfs/dbraw/zinc/24/88/76/132248876.db2.gz CQDCDKWKINDBRW-UHFFFAOYSA-N 0 0 425.580 5.463 50 0 IKAARN CC(C)(C)c1cc(N2CCN(c3ccccn3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002228343 132249433 /nfs/dbraw/zinc/24/94/33/132249433.db2.gz QBQSFZHQTQRBPS-UHFFFAOYSA-N 0 0 446.986 5.069 50 0 IKAARN CCCc1cc(N2CCN(c3ccccc3C)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002242252 132249854 /nfs/dbraw/zinc/24/98/54/132249854.db2.gz ICPCBSSJIWWXQI-UHFFFAOYSA-N 0 0 425.580 5.292 50 0 IKAARN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002250721 132250017 /nfs/dbraw/zinc/25/00/17/132250017.db2.gz MQEUZVWAKMLHMT-AREMUKBSSA-N 0 0 448.588 5.329 50 0 IKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002258961 132250182 /nfs/dbraw/zinc/25/01/82/132250182.db2.gz SYXBAMZMLFTGBB-UHFFFAOYSA-N 0 0 439.671 7.708 50 0 IKAARN CC1=CC(C)(C)N(C(=O)c2ccc(F)cc2)c2ccc(OC(=O)c3ccc(F)cc3)cc21 ZINC000002261143 132250378 /nfs/dbraw/zinc/25/03/78/132250378.db2.gz YKJLERYDQBYZJF-UHFFFAOYSA-N 0 0 433.454 6.026 50 0 IKAARN Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1 ZINC000002267535 132250865 /nfs/dbraw/zinc/25/08/65/132250865.db2.gz UYACQEFFFUNEQS-WJOKGBTCSA-N 0 0 449.594 7.049 50 0 IKAARN Cc1cc(C)nc(SCC(=O)N2c3ccccc3-c3c(=S)ssc3C2(C)C)n1 ZINC000002288245 132251284 /nfs/dbraw/zinc/25/12/84/132251284.db2.gz JRKMJUJFIQZOHB-UHFFFAOYSA-N 0 0 445.660 5.987 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc3ccccc32)cc(OC)c1OC ZINC000002309145 132251858 /nfs/dbraw/zinc/25/18/58/132251858.db2.gz OVJVOLLFZASNGD-SANMLTNESA-N 0 0 440.499 5.637 50 0 IKAARN CCC(CC)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)C(CC)CC)c2ccccc21 ZINC000002313880 132252058 /nfs/dbraw/zinc/25/20/58/132252058.db2.gz DWSBHSMKMDMHMO-FQRUVTKNSA-N 0 0 434.624 6.759 50 0 IKAARN Cc1nn2c(nc3c(c2N2CCN(c4ccccc4C)CC2)CCCC3)c1-c1ccccc1 ZINC000002330053 132252286 /nfs/dbraw/zinc/25/22/86/132252286.db2.gz QHBTZOVRRAQCOM-UHFFFAOYSA-N 0 0 437.591 5.219 50 0 IKAARN Cc1ccc2c(C)nc(NC(=N)NC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 ZINC000002341969 132252507 /nfs/dbraw/zinc/25/25/07/132252507.db2.gz SOIQLXUALSOUKT-UHFFFAOYSA-N 0 0 440.532 5.606 50 0 aggregator IKAARN CC[C@H](C(=O)N1c2ccc(OC)cc2-c2c(=S)ssc2C1(C)C)c1ccccc1 ZINC000002350104 132252636 /nfs/dbraw/zinc/25/26/36/132252636.db2.gz LAOSKSVUWLAUEG-INIZCTEOSA-N 0 0 441.643 6.990 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCc5ccccc54)cc3n2)cc1 ZINC000002364492 132253109 /nfs/dbraw/zinc/25/31/09/132253109.db2.gz SBMSRWFDLPBMRR-UHFFFAOYSA-N 0 0 436.437 5.317 50 0 IKAARN FC(F)(F)c1cc(NC(=S)N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000002380960 132253306 /nfs/dbraw/zinc/25/33/06/132253306.db2.gz BNVDCCQPVAVGQM-UHFFFAOYSA-N 0 0 433.421 5.243 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1)C(=O)C2 ZINC000002429045 132254293 /nfs/dbraw/zinc/25/42/93/132254293.db2.gz VBGYCDMRHYUTGY-AREMUKBSSA-N 0 0 435.951 6.125 50 0 IKAARN O=C(c1ccccc1)N1CCN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)CC1 ZINC000002434694 132254338 /nfs/dbraw/zinc/25/43/38/132254338.db2.gz HFIYGUFQGFTTJD-UHFFFAOYSA-N 0 0 434.499 5.005 50 0 IKAARN O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2 ZINC000002458801 132254711 /nfs/dbraw/zinc/25/47/11/132254711.db2.gz SEDXNFYDGCFGFN-UHFFFAOYSA-N 0 0 446.956 5.110 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)o2)c(C)c1Br ZINC000002463945 132254732 /nfs/dbraw/zinc/25/47/32/132254732.db2.gz CKTMCUVQVQQRMC-GFCCVEGCSA-N 0 0 446.320 5.024 50 0 IKAARN Cn1c(CN2c3ccccc3Sc3ccccc32)nnc1SCC(=O)c1ccccc1 ZINC000002578053 132255037 /nfs/dbraw/zinc/25/50/37/132255037.db2.gz CHUDUYBTHHXURH-UHFFFAOYSA-N 0 0 444.585 5.593 50 0 IKAARN Clc1ccccc1CSc1nnc(CN2c3ccccc3Sc3ccccc32)o1 ZINC000002585284 132255086 /nfs/dbraw/zinc/25/50/86/132255086.db2.gz YOJSHXZYJBAZDL-UHFFFAOYSA-N 0 0 437.977 6.818 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCC[C@@H](C)C3)c2c1C ZINC000002623481 132255254 /nfs/dbraw/zinc/25/52/54/132255254.db2.gz BTZSEXKFVCSJSF-OAHLLOKOSA-N 0 0 441.622 5.705 50 0 IKAARN S=C1N[C@H]2c3cc(Br)ccc3O[C@@]3(CCC[C@H]23)N1c1cccc(Cl)c1 ZINC000002687394 132256112 /nfs/dbraw/zinc/25/61/12/132256112.db2.gz LWZPLZNHNPFDOQ-HHXXYDBFSA-N 0 0 435.774 5.427 50 0 IKAARN O=C1c2cc(Br)ccc2N[C@H](c2ccc3c(c2)OCO3)N1c1cccc(F)c1 ZINC000002745254 132256888 /nfs/dbraw/zinc/25/68/88/132256888.db2.gz PCPJKCVHCLKPIL-FQEVSTJZSA-N 0 0 441.256 5.088 50 0 IKAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccc(I)cc1 ZINC000002817966 132257440 /nfs/dbraw/zinc/25/74/40/132257440.db2.gz ZDGKGXKXVXVPHC-IBGZPJMESA-N 0 0 444.247 5.201 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000002836377 132257472 /nfs/dbraw/zinc/25/74/72/132257472.db2.gz LLRKOHLWEYRKHV-UHFFFAOYSA-N 0 0 426.438 5.461 50 0 IKAARN Cc1cccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2N2CCCCC2)c1 ZINC000002859604 132257873 /nfs/dbraw/zinc/25/78/73/132257873.db2.gz FXBCKPLKGBDOFG-UHFFFAOYSA-N 0 0 427.548 5.419 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c(Cl)c1 ZINC000002879711 132257978 /nfs/dbraw/zinc/25/79/78/132257978.db2.gz CGLKKALPEYWNAM-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc(C)nc(N3CCCC[C@H]3C)c12 ZINC000002924386 132258870 /nfs/dbraw/zinc/25/88/70/132258870.db2.gz QQDGUGJEHAJZGR-GFCCVEGCSA-N 0 0 448.514 5.958 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2ncnc(N3CCC(C)CC3)c12 ZINC000002924488 132258903 /nfs/dbraw/zinc/25/89/03/132258903.db2.gz KFRIKFWVQZQXMT-UHFFFAOYSA-N 0 0 434.487 5.507 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(C)nc(N3CCCC[C@H]3C)c12 ZINC000002924326 132258905 /nfs/dbraw/zinc/25/89/05/132258905.db2.gz KFZZMQVRKSUBJK-GFCCVEGCSA-N 0 0 448.514 5.958 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(C)nc(N3CCCC[C@@H]3C)c12 ZINC000002924329 132258909 /nfs/dbraw/zinc/25/89/09/132258909.db2.gz KFZZMQVRKSUBJK-LBPRGKRZSA-N 0 0 448.514 5.958 50 0 IKAARN Cc1c(C(=O)N2CCCc3ccccc32)sc2ncnc(N3CCc4ccccc4C3)c12 ZINC000002931580 132259221 /nfs/dbraw/zinc/25/92/21/132259221.db2.gz SAQNPKNBFDRDGD-UHFFFAOYSA-N 0 0 440.572 5.155 50 0 IKAARN C[C@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)C1 ZINC000002975086 132259965 /nfs/dbraw/zinc/25/99/65/132259965.db2.gz LREAWDATUSGTAY-KRWDZBQOSA-N 0 0 436.481 6.343 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000002975054 132259969 /nfs/dbraw/zinc/25/99/69/132259969.db2.gz QDXBFWQKAZIOBG-ROUUACIJSA-N 0 0 430.983 6.532 50 0 IKAARN C=C1S[C@@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccc(Br)cc1 ZINC000003014894 132260415 /nfs/dbraw/zinc/26/04/15/132260415.db2.gz VIWJQVUMALMTIG-INIZCTEOSA-N 0 0 429.261 5.598 50 0 IKAARN C=C1S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccc(Br)cc1 ZINC000003014897 132260431 /nfs/dbraw/zinc/26/04/31/132260431.db2.gz VIWJQVUMALMTIG-MRXNPFEDSA-N 0 0 429.261 5.598 50 0 IKAARN Cc1nn2c(nc(C)cc2N2CCN(c3cccc(C)c3)[C@@H](C)C2)c1-c1ccc(Cl)cc1 ZINC000003059446 132261518 /nfs/dbraw/zinc/26/15/18/132261518.db2.gz LIVAVTGIWMODDK-IBGZPJMESA-N 0 0 445.998 5.690 50 0 IKAARN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NC4CC4)cc3)C2=O)c1 ZINC000003062118 132261554 /nfs/dbraw/zinc/26/15/54/132261554.db2.gz KKULXWQZBHILTH-PCLIKHOPSA-N 0 0 440.568 5.567 50 0 IKAARN CC(=O)N1c2ccc([C@@]3(C)CC(C)(C)N(C(C)=O)c4ccccc43)cc2C(C)=CC1(C)C ZINC000003121726 132261862 /nfs/dbraw/zinc/26/18/62/132261862.db2.gz YNUIMZBYWUDEDE-MUUNZHRXSA-N 0 0 430.592 6.076 50 0 IKAARN O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccc2Cl)CC1 ZINC000003217363 132262261 /nfs/dbraw/zinc/26/22/61/132262261.db2.gz IJPLJSQIKQCXJD-UHFFFAOYSA-N 0 0 448.979 5.217 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccccc2F)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000003197968 132262277 /nfs/dbraw/zinc/26/22/77/132262277.db2.gz XOLOJSUJWPEZBP-QGOAFFKASA-N 0 0 426.369 5.485 50 0 IKAARN O=C(COC(=O)c1cccc(Br)c1)N1c2ccccc2Sc2ccccc21 ZINC000003233045 132262472 /nfs/dbraw/zinc/26/24/72/132262472.db2.gz VOAYRTXRVUOIJW-UHFFFAOYSA-N 0 0 440.318 5.435 50 0 IKAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1ccc(N2CCCCC2)cc1 ZINC000003303918 132263591 /nfs/dbraw/zinc/26/35/91/132263591.db2.gz NNYZTFCASCOEEJ-UHFFFAOYSA-N 0 0 444.560 5.366 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC1 ZINC000003304491 132263595 /nfs/dbraw/zinc/26/35/95/132263595.db2.gz WZHHSJSLCCOEBB-UHFFFAOYSA-N 0 0 431.923 5.419 50 0 IKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CCN(c2ccccc2O)CC1 ZINC000003307406 132263745 /nfs/dbraw/zinc/26/37/45/132263745.db2.gz AAXCFBDBYULNMW-UHFFFAOYSA-N 0 0 443.934 5.223 50 0 IKAARN C[C@@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)N1CCCc2ccccc21 ZINC000003328844 132263931 /nfs/dbraw/zinc/26/39/31/132263931.db2.gz CHYNHYVUWQPCDT-MRXNPFEDSA-N 0 0 440.590 5.080 50 0 IKAARN O=C(/C=C/c1c(Cl)nc2ccccn21)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003348542 132264382 /nfs/dbraw/zinc/26/43/82/132264382.db2.gz YMJSUJXDBBOTHV-MDZDMXLPSA-N 0 0 448.876 5.649 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 ZINC000003438049 132265448 /nfs/dbraw/zinc/26/54/48/132265448.db2.gz GJIQCFJDGSIYMZ-OFNKIYASSA-N 0 0 438.980 5.511 50 0 IKAARN O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCc2ccccc21 ZINC000003581832 132266255 /nfs/dbraw/zinc/26/62/55/132266255.db2.gz LNEOKFWAZWSIBN-UHFFFAOYSA-N 0 0 447.003 6.415 50 0 IKAARN O=C(COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1)Nc1ccccc1 ZINC000003616447 132266543 /nfs/dbraw/zinc/26/65/43/132266543.db2.gz XCLRPKSHDNLDJY-MHZLTWQESA-N 0 0 449.510 5.475 50 0 IKAARN Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc21 ZINC000003638398 132266565 /nfs/dbraw/zinc/26/65/65/132266565.db2.gz OYDNZNYNKPQNRE-HXUWFJFHSA-N 0 0 444.600 5.385 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)CS3)cc1 ZINC000003638699 132266753 /nfs/dbraw/zinc/26/67/53/132266753.db2.gz YOLMVHYRDICXPV-UHFFFAOYSA-N 0 0 430.573 5.181 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 ZINC000003638662 132266762 /nfs/dbraw/zinc/26/67/62/132266762.db2.gz FMDLHOOLAQIUNI-KXBFYZLASA-N 0 0 428.985 5.287 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2 ZINC000003638590 132266776 /nfs/dbraw/zinc/26/67/76/132266776.db2.gz ZPEUHNVGPAPDSG-HNAYVOBHSA-N 0 0 428.985 5.287 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000003645427 132266911 /nfs/dbraw/zinc/26/69/11/132266911.db2.gz WFFYTFNGWQDWEH-KUHUBIRLSA-N 0 0 446.975 5.427 50 0 IKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc12 ZINC000003648756 132266916 /nfs/dbraw/zinc/26/69/16/132266916.db2.gz LSIULPOYEKEZIV-UHFFFAOYSA-N 0 0 427.470 5.734 50 0 IKAARN CC1(C)C[C@@](C)(c2cccc(Br)c2)c2ccccc2N1C(=O)c1ccccc1 ZINC000003670860 132267707 /nfs/dbraw/zinc/26/77/07/132267707.db2.gz JNDUWMXCOGMRLX-VWLOTQADSA-N 0 0 434.377 6.584 50 0 IKAARN Cc1ccccc1N1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000004106482 132269698 /nfs/dbraw/zinc/26/96/98/132269698.db2.gz LGTTYYPNUGDLHT-UHFFFAOYSA-N 0 0 441.453 5.164 50 0 IKAARN Fc1ccc(COc2ccccc2CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000004113009 132270006 /nfs/dbraw/zinc/27/00/06/132270006.db2.gz NCLRGNDQDRQVRU-UHFFFAOYSA-N 0 0 426.919 5.507 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000004109875 132270012 /nfs/dbraw/zinc/27/00/12/132270012.db2.gz VJIGZKHNFKUJRC-UHFFFAOYSA-N 0 0 426.866 5.675 50 0 IKAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000004121842 132270468 /nfs/dbraw/zinc/27/04/68/132270468.db2.gz KWEYECLPYPLJFN-UHFFFAOYSA-N 0 0 441.984 5.256 50 0 aggregator IKAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc5ccccc54)cc3)CC2)cc1 ZINC000004122848 132270493 /nfs/dbraw/zinc/27/04/93/132270493.db2.gz JIDRHLIOWUIXCX-UHFFFAOYSA-N 0 0 449.554 5.363 50 0 IKAARN Cc1nnc(SCC(=O)N2c3ccccc3[C@](C)(c3ccc(C)cc3)CC2(C)C)s1 ZINC000004181408 132270726 /nfs/dbraw/zinc/27/07/26/132270726.db2.gz SNNWIBXDGDALNQ-DEOSSOPVSA-N 0 0 437.634 5.769 50 0 IKAARN Cc1cccc(CN2c3cc(C(=O)NC(C)C)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000004472245 132272195 /nfs/dbraw/zinc/27/21/95/132272195.db2.gz NIOUBKRSQIVVIQ-MYYYXRDXSA-N 0 0 442.584 5.813 50 0 IKAARN C[C@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004550906 132272288 /nfs/dbraw/zinc/27/22/88/132272288.db2.gz MBIHVWFEQLQTFF-NBGIEHNGSA-N 0 0 426.560 6.246 50 0 IKAARN C[C@@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004550905 132272337 /nfs/dbraw/zinc/27/23/37/132272337.db2.gz MBIHVWFEQLQTFF-CJFMBICVSA-N 0 0 426.560 6.246 50 0 IKAARN C[C@H]1C[C@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004550904 132272373 /nfs/dbraw/zinc/27/23/73/132272373.db2.gz MBIHVWFEQLQTFF-CPJSRVTESA-N 0 0 426.560 6.246 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000004755886 132273179 /nfs/dbraw/zinc/27/31/79/132273179.db2.gz OCBBOPNPVZOCTC-UHFFFAOYSA-N 0 0 428.960 5.242 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3N3CCCC[C@H]3C)c2c2c1CCC2 ZINC000005215959 132275047 /nfs/dbraw/zinc/27/50/47/132275047.db2.gz DAWLOPLFVDHGBM-CQSZACIVSA-N 0 0 426.655 6.172 50 0 IKAARN CN(CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1 ZINC000005222036 132275085 /nfs/dbraw/zinc/27/50/85/132275085.db2.gz XPPPKTYAYSLOEY-UHFFFAOYSA-N 0 0 428.479 5.967 50 0 IKAARN CC(C)c1nc2oc3c(ncnc3N3CCC(Cc4ccccc4)CC3)c2c2c1CCC2 ZINC000005427997 132275305 /nfs/dbraw/zinc/27/53/05/132275305.db2.gz ZBNOCLQJXMAKRV-UHFFFAOYSA-N 0 0 426.564 5.842 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000006089566 132276153 /nfs/dbraw/zinc/27/61/53/132276153.db2.gz VRGOSFOPRVVGTE-NRFANRHFSA-N 0 0 441.314 5.941 50 0 IKAARN CC1=CC(C)(C)N(C(=O)c2cccc(F)c2)c2ccc(OC(=O)c3cccc(F)c3)cc21 ZINC000006461747 132277356 /nfs/dbraw/zinc/27/73/56/132277356.db2.gz FSXJEHLHBLDONX-UHFFFAOYSA-N 0 0 433.454 6.026 50 0 IKAARN CCc1cc(N2CCCC[C@H]2C)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000006766282 132278648 /nfs/dbraw/zinc/27/86/48/132278648.db2.gz RTRHNSSJKQEAHY-GOSISDBHSA-N 0 0 426.630 5.096 50 0 IKAARN CCc1cc(N2CCCC[C@@H]2C)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000006802130 132279079 /nfs/dbraw/zinc/27/90/79/132279079.db2.gz ZMRDVNRLWHOAJW-SFHVURJKSA-N 0 0 426.630 5.096 50 0 IKAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2)c1 ZINC000006836455 132279529 /nfs/dbraw/zinc/27/95/29/132279529.db2.gz HYYYQGCWAXCXAE-FQEVSTJZSA-N 0 0 436.644 5.104 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3nc(-c4cccc(C)c4)nc(C)c3C(C)C)CC2)cc1 ZINC000006839190 132279562 /nfs/dbraw/zinc/27/95/62/132279562.db2.gz NGJKSYHJCVKSAA-UHFFFAOYSA-N 0 0 428.580 5.155 50 0 IKAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)c1 ZINC000006836454 132279577 /nfs/dbraw/zinc/27/95/77/132279577.db2.gz HYYYQGCWAXCXAE-HXUWFJFHSA-N 0 0 436.644 5.104 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(C)C)cc2)cc1 ZINC000008424536 132281537 /nfs/dbraw/zinc/28/15/37/132281537.db2.gz CVZSVQIXSQKBCG-VWLOTQADSA-N 0 0 444.531 5.669 50 0 IKAARN Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000008440690 132281935 /nfs/dbraw/zinc/28/19/35/132281935.db2.gz ZZTJUHTUNPXPFW-RUZDIDTESA-N 0 0 440.008 6.332 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)N1CCCc2ccccc21 ZINC000008446077 132282107 /nfs/dbraw/zinc/28/21/07/132282107.db2.gz QUOIFKFUOCPKHR-UHFFFAOYSA-N 0 0 445.975 6.022 50 0 IKAARN O=C(c1cc(Br)ccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008450832 132282137 /nfs/dbraw/zinc/28/21/37/132282137.db2.gz JLHZXWJIFIYQAB-UHFFFAOYSA-N 0 0 447.682 5.084 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2nc1N1CCCCC1 ZINC000008590556 132283706 /nfs/dbraw/zinc/28/37/06/132283706.db2.gz LWQKSMPWCUQLFJ-UHFFFAOYSA-N 0 0 442.972 5.013 50 0 aggregator IKAARN CCc1ccc(NC(=O)C2CCN(c3ccc(Sc4ccc(C)cc4)nn3)CC2)cc1 ZINC000008592495 132284267 /nfs/dbraw/zinc/28/42/67/132284267.db2.gz UPIJEOTUKOGTCE-UHFFFAOYSA-N 0 0 432.593 5.354 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CCS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)c1 ZINC000008597445 132285498 /nfs/dbraw/zinc/28/54/98/132285498.db2.gz SOQKPMRSVTWREF-SANMLTNESA-N 0 0 428.557 5.173 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)C[C@H]2C)c1 ZINC000008599284 132285956 /nfs/dbraw/zinc/28/59/56/132285956.db2.gz QFWRWWLENMJNFJ-GOSISDBHSA-N 0 0 433.983 5.426 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1C ZINC000008599911 132286135 /nfs/dbraw/zinc/28/61/35/132286135.db2.gz SSQAKNGOMFPGKJ-UHFFFAOYSA-N 0 0 428.458 5.121 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)c1 ZINC000008602197 132286532 /nfs/dbraw/zinc/28/65/32/132286532.db2.gz BCSFPWOHHMVJHT-UHFFFAOYSA-N 0 0 429.589 5.335 50 0 IKAARN Cc1cccc(N2CCN(C(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)c1C ZINC000008602192 132286569 /nfs/dbraw/zinc/28/65/69/132286569.db2.gz XLKGYIZOOZRSGI-UHFFFAOYSA-N 0 0 429.589 5.335 50 0 IKAARN CCc1cccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000008608609 132287643 /nfs/dbraw/zinc/28/76/43/132287643.db2.gz IDEPPVVLFCQTCF-UHFFFAOYSA-N 0 0 444.915 5.377 50 0 IKAARN Cc1ccc(CCNC(=O)c2ccc(NC(=O)N3C[C@@H](C)Sc4ccccc43)cc2)cc1 ZINC000008610275 132288025 /nfs/dbraw/zinc/28/80/25/132288025.db2.gz PTBATIYRSJMBBU-LJQANCHMSA-N 0 0 445.588 5.500 50 0 IKAARN Cc1ccc(CCNC(=O)c2ccc(NC(=O)N3CCSc4ccccc43)cc2)cc1 ZINC000008610282 132288053 /nfs/dbraw/zinc/28/80/53/132288053.db2.gz KBZRMIXSINNXJI-UHFFFAOYSA-N 0 0 431.561 5.112 50 0 IKAARN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCc3cccc(F)c3)cc2)c2ccccc2S1 ZINC000008610284 132288081 /nfs/dbraw/zinc/28/80/81/132288081.db2.gz OZZOKYVIRLNXMI-MRXNPFEDSA-N 0 0 435.524 5.288 50 0 aggregator IKAARN CCc1ccc(CNC(=O)c2ccc(NC(=O)N3C[C@H](C)Sc4ccccc43)cc2)cc1 ZINC000008610341 132288241 /nfs/dbraw/zinc/28/82/41/132288241.db2.gz RCFIEMJOUUPPCN-SFHVURJKSA-N 0 0 445.588 5.712 50 0 aggregator IKAARN CCOC(=O)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CCCCC1 ZINC000008628213 132289058 /nfs/dbraw/zinc/28/90/58/132289058.db2.gz SUZVCLKKKVTIBY-UHFFFAOYSA-N 0 0 435.446 5.516 50 0 IKAARN CC1=CC(C)(C)N=C(SCc2ccc(Cl)cc2Cl)N1c1ccc(F)cc1F ZINC000008648128 132289165 /nfs/dbraw/zinc/28/91/65/132289165.db2.gz CJLPFYNZYBAYPM-UHFFFAOYSA-N 0 0 427.347 7.063 50 0 IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N2CCC(C)CC2)n1)CCC4 ZINC000008657505 132289294 /nfs/dbraw/zinc/28/92/94/132289294.db2.gz LBZCJPWXNRQQMQ-UHFFFAOYSA-N 0 0 426.655 5.885 50 0 IKAARN CCOc1ccccc1N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000008666165 132289532 /nfs/dbraw/zinc/28/95/32/132289532.db2.gz CVDCNSWAKGHLPW-VWLOTQADSA-N 0 0 432.589 5.268 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O ZINC000008756943 132292840 /nfs/dbraw/zinc/29/28/40/132292840.db2.gz BVCSIVDRLSIGKQ-UHFFFAOYSA-N 0 0 447.343 5.637 50 0 IKAARN Cc1cccc(CN2c3ccccc3S(=O)(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000008757057 132293085 /nfs/dbraw/zinc/29/30/85/132293085.db2.gz AWVAUAVFQOUFFK-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CC[C@H](c3ccccc3)C[C@H]12 ZINC000008773760 132294099 /nfs/dbraw/zinc/29/40/99/132294099.db2.gz XIEPITOOPZYXGG-UWJYYQICSA-N 0 0 438.365 5.066 50 0 IKAARN Cc1nn2c(nc(C)cc2N2CCN(c3ccccc3C)CC2)c1-c1ccc(Cl)cc1 ZINC000008845894 132295867 /nfs/dbraw/zinc/29/58/67/132295867.db2.gz PTXQMAKQNKJDTM-UHFFFAOYSA-N 0 0 431.971 5.302 50 0 IKAARN O=C1[C@@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 ZINC000008857382 132296433 /nfs/dbraw/zinc/29/64/33/132296433.db2.gz VEVLMSSHLYQRCC-KRWDZBQOSA-N 0 0 428.376 5.630 50 0 IKAARN O=C1[C@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 ZINC000008857381 132296455 /nfs/dbraw/zinc/29/64/55/132296455.db2.gz VEVLMSSHLYQRCC-QGZVFWFLSA-N 0 0 428.376 5.630 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCc3ccc(F)cc3)C2=O)cc1 ZINC000008878040 132296874 /nfs/dbraw/zinc/29/68/74/132296874.db2.gz NHHABUQKFPPKQU-HOYKHHGWSA-N 0 0 448.563 5.094 50 0 IKAARN C[C@H](CNC(=O)[C@@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1)c1ccccc1 ZINC000008912854 132297810 /nfs/dbraw/zinc/29/78/10/132297810.db2.gz HUBWKOCNCVKSJX-SJLPKXTDSA-N 0 0 448.567 5.120 50 0 IKAARN COc1ccc(C(=O)N2c3cc(Cl)ccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000008951307 132298511 /nfs/dbraw/zinc/29/85/11/132298511.db2.gz ZCABIFOLGUAWRL-UHFFFAOYSA-N 0 0 434.007 6.764 50 0 IKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2ccc(F)cc2)c2ccccc21 ZINC000008984260 132299466 /nfs/dbraw/zinc/29/94/66/132299466.db2.gz MFJULYZNMQVMAW-CJAUYULYSA-N 0 0 432.495 5.124 50 0 IKAARN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000008991691 132299767 /nfs/dbraw/zinc/29/97/67/132299767.db2.gz XSXWAHLJSNSJMN-UHFFFAOYSA-N 0 0 448.375 5.129 50 0 IKAARN CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000008993475 132300009 /nfs/dbraw/zinc/30/00/09/132300009.db2.gz FSURIVODEBZNRE-OAQYLSRUSA-N 0 0 425.410 5.435 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000009057613 132301277 /nfs/dbraw/zinc/30/12/77/132301277.db2.gz PDGOEULEDVKQNC-RUZDIDTESA-N 0 0 426.545 5.505 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000009057612 132301386 /nfs/dbraw/zinc/30/13/86/132301386.db2.gz PDGOEULEDVKQNC-VWLOTQADSA-N 0 0 426.545 5.505 50 0 IKAARN CC(=O)C1=NN(c2ccccc2C)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000009064984 132301780 /nfs/dbraw/zinc/30/17/80/132301780.db2.gz UCPJMNJQVOHISH-RUZDIDTESA-N 0 0 426.545 5.505 50 0 IKAARN CCC1=NN(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccccc2)c2ccccc21 ZINC000009075693 132301987 /nfs/dbraw/zinc/30/19/87/132301987.db2.gz HVDFMBHWKIHHMG-VWLOTQADSA-N 0 0 426.545 5.587 50 0 IKAARN CCC1=NN(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccccc2)c2ccccc21 ZINC000009075694 132301992 /nfs/dbraw/zinc/30/19/92/132301992.db2.gz HVDFMBHWKIHHMG-RUZDIDTESA-N 0 0 426.545 5.587 50 0 IKAARN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)CC2)cc1 ZINC000009096388 132302806 /nfs/dbraw/zinc/30/28/06/132302806.db2.gz JRKLVIJHBXWWAF-UHFFFAOYSA-N 0 0 447.966 5.117 50 0 IKAARN CCOc1ccc(C(=O)N2c3cc(Cl)ccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000009108646 132302986 /nfs/dbraw/zinc/30/29/86/132302986.db2.gz JVNQBTRIGAUURR-UHFFFAOYSA-N 0 0 448.034 7.154 50 0 IKAARN Cc1cccc(N2N=C(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)CCC2=O)c1 ZINC000009125568 132305172 /nfs/dbraw/zinc/30/51/72/132305172.db2.gz SSMLYOOZVPBTHQ-UHFFFAOYSA-N 0 0 446.488 5.093 50 0 IKAARN COc1ccc([C@@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000009129917 132305709 /nfs/dbraw/zinc/30/57/09/132305709.db2.gz OAMHGTIONMLXDK-AREMUKBSSA-N 0 0 428.532 5.050 50 0 IKAARN C[C@@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000009130167 132305758 /nfs/dbraw/zinc/30/57/58/132305758.db2.gz SYCJJBDJESXAPU-XMSQKQJNSA-N 0 0 442.540 6.168 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C(C)C)cc1)C(=O)C2 ZINC000009198647 132308215 /nfs/dbraw/zinc/30/82/15/132308215.db2.gz UJZWGUBBMQIOTR-AREMUKBSSA-N 0 0 435.951 6.159 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(C(C)C)cc1)C(=O)C2 ZINC000009198860 132308398 /nfs/dbraw/zinc/30/83/98/132308398.db2.gz SYGJUJYXHRZRJI-NDEPHWFRSA-N 0 0 429.560 6.286 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)N(c1ccc(CC)cc1)C(=O)C2 ZINC000009198888 132308401 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Cc1cccc(C)c1NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000009250372 132310575 /nfs/dbraw/zinc/31/05/75/132310575.db2.gz MDBXFBYWJXPCHP-UHFFFAOYSA-N 0 0 434.561 5.241 50 0 IKAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1Cl ZINC000009250403 132310764 /nfs/dbraw/zinc/31/07/64/132310764.db2.gz PQUGQYQICUNYLN-UHFFFAOYSA-N 0 0 440.952 5.278 50 0 IKAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(Cl)c1 ZINC000009250404 132310792 /nfs/dbraw/zinc/31/07/92/132310792.db2.gz ANHRXMHIKZISTG-UHFFFAOYSA-N 0 0 440.952 5.278 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c(C)c1 ZINC000009250415 132310826 /nfs/dbraw/zinc/31/08/26/132310826.db2.gz MLJKGGBSQYFLBR-UHFFFAOYSA-N 0 0 448.588 5.550 50 0 IKAARN CCOC(=O)[C@H]1CCCN(c2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)C1 ZINC000009289915 132312741 /nfs/dbraw/zinc/31/27/41/132312741.db2.gz ZCJHFQPVRGVOIM-KRWDZBQOSA-N 0 0 449.938 5.136 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1F ZINC000009319396 132313614 /nfs/dbraw/zinc/31/36/14/132313614.db2.gz HAYROKIXXDNLEW-UHFFFAOYSA-N 0 0 448.878 5.262 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CN(C)Cc3ccccc3N3CCCCC3)cs2)cc1 ZINC000009378929 132314656 /nfs/dbraw/zinc/31/46/56/132314656.db2.gz KJFSMUKZOJKGCN-UHFFFAOYSA-N 0 0 448.636 5.255 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000009405820 132315030 /nfs/dbraw/zinc/31/50/30/132315030.db2.gz TWTKCNCJHZZGKO-KRWDZBQOSA-N 0 0 441.959 5.015 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c3n2CCCCC3)cc1 ZINC000009406746 132315611 /nfs/dbraw/zinc/31/56/11/132315611.db2.gz UXDRFZQAFRBAJA-UHFFFAOYSA-N 0 0 442.607 5.164 50 0 IKAARN O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCN(c2ccccc2)CC1 ZINC000009407741 132315919 /nfs/dbraw/zinc/31/59/19/132315919.db2.gz XXXMAJRXIWQMOR-UHFFFAOYSA-N 0 0 426.994 5.637 50 0 IKAARN CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 ZINC000009422892 132316520 /nfs/dbraw/zinc/31/65/20/132316520.db2.gz PONKNTRJZQTVSG-OAQYLSRUSA-N 0 0 436.309 5.179 50 0 IKAARN CN(Cc1ccccc1N1CCCCC1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009515741 132320080 /nfs/dbraw/zinc/32/00/80/132320080.db2.gz DWKNXAVCAMMHEK-UHFFFAOYSA-N 0 0 444.604 5.274 50 0 IKAARN Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2)c(C)c1 ZINC000009540398 132321098 /nfs/dbraw/zinc/32/10/98/132321098.db2.gz KGABJQDORXWYCY-UHFFFAOYSA-N 0 0 434.495 5.818 50 0 IKAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000009561259 132321486 /nfs/dbraw/zinc/32/14/86/132321486.db2.gz OIVIVEHQFCIERM-UHFFFAOYSA-N 0 0 446.986 5.029 50 0 IKAARN COc1ccc2nc3sc(C(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)cc3cc2c1 ZINC000009561546 132321556 /nfs/dbraw/zinc/32/15/56/132321556.db2.gz CNXCJKCAOSTXGN-QGZVFWFLSA-N 0 0 431.561 5.117 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)cc32)cc1 ZINC000009561485 132321584 /nfs/dbraw/zinc/32/15/84/132321584.db2.gz XKYAJAIXUUQBCQ-UHFFFAOYSA-N 0 0 425.532 5.382 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000009573353 132321948 /nfs/dbraw/zinc/32/19/48/132321948.db2.gz HOKQPCCLCMHZMZ-UHFFFAOYSA-N 0 0 437.547 5.924 50 0 IKAARN COc1cccc([C@@H]2NC(=S)C3=C(Oc4c(cccc4OC)C3)N2c2ccc(F)cc2)c1 ZINC000009673601 132325304 /nfs/dbraw/zinc/32/53/04/132325304.db2.gz JXUOJXFRCBVBEG-HSZRJFAPSA-N 0 0 448.519 5.125 50 0 IKAARN Cc1ccc(N2C3=C(Cc4cc(Cl)ccc4O3)C(=S)N[C@@H]2c2cccnc2)cc1F ZINC000009673666 132325386 /nfs/dbraw/zinc/32/53/86/132325386.db2.gz IPUGVCZIABJODI-NRFANRHFSA-N 0 0 437.927 5.465 50 0 IKAARN COc1cccc([C@@H]2NC(=S)C3=C(Oc4ccc(F)cc4C3)N2c2cccc(F)c2)c1 ZINC000009673659 132325440 /nfs/dbraw/zinc/32/54/40/132325440.db2.gz LDGHMKXLQUKZLJ-JOCHJYFZSA-N 0 0 436.483 5.256 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCCC3=CCCCC3)C2=O)cc1 ZINC000009692909 132326188 /nfs/dbraw/zinc/32/61/88/132326188.db2.gz BPGQLYPLPBVVQB-NBGIEHNGSA-N 0 0 448.632 5.645 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)NCc3ccccc3)C2=O)c1 ZINC000009692990 132326369 /nfs/dbraw/zinc/32/63/69/132326369.db2.gz LBAAUYZQHUNHSC-CPJSRVTESA-N 0 0 444.600 5.263 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000009693967 132326443 /nfs/dbraw/zinc/32/64/43/132326443.db2.gz IWNAGNLLHPLJEC-FQEVSTJZSA-N 0 0 449.620 5.237 50 0 IKAARN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000009780492 132328742 /nfs/dbraw/zinc/32/87/42/132328742.db2.gz DWWVXYCAPGPLNG-AZUAARDMSA-N 0 0 444.432 5.276 50 0 IKAARN O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000009780496 132328773 /nfs/dbraw/zinc/32/87/73/132328773.db2.gz DWWVXYCAPGPLNG-UYAOXDASSA-N 0 0 444.432 5.276 50 0 IKAARN O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000009849497 132330131 /nfs/dbraw/zinc/33/01/31/132330131.db2.gz UDUCOHCQXISKLI-UHFFFAOYSA-N 0 0 447.966 5.134 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)CC1 ZINC000009858144 132330244 /nfs/dbraw/zinc/33/02/44/132330244.db2.gz SKLLVELYLPUSFU-UHFFFAOYSA-N 0 0 440.374 5.301 50 0 IKAARN O=C(CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCCC3)c1ccccc1 ZINC000009860911 132330343 /nfs/dbraw/zinc/33/03/43/132330343.db2.gz HIMIPMUAMOYKRD-RUZDIDTESA-N 0 0 448.613 5.989 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)[C@H]2c2ccccc2)cc1 ZINC000009873086 132330641 /nfs/dbraw/zinc/33/06/41/132330641.db2.gz CZVQFGLSYQRWRW-AOYPEHQESA-N 0 0 442.515 5.021 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)cc1 ZINC000009962409 132332868 /nfs/dbraw/zinc/33/28/68/132332868.db2.gz NGDKBACJWCWDMM-UHFFFAOYSA-N 0 0 432.589 5.170 50 0 biogenic IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1 ZINC000009970081 132333200 /nfs/dbraw/zinc/33/32/00/132333200.db2.gz RDXCDPXXBXABBW-UHFFFAOYSA-N 0 0 438.980 5.540 50 0 IKAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(Cl)c1C ZINC000011119372 132337351 /nfs/dbraw/zinc/33/73/51/132337351.db2.gz OSYMVXNZBAASGW-UHFFFAOYSA-N 0 0 440.952 5.025 50 0 IKAARN Cc1cccc(N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1C ZINC000012991151 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5.435 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000013114230 132344812 /nfs/dbraw/zinc/34/48/12/132344812.db2.gz QTJUHVYLGQLFQH-FQEVSTJZSA-N 0 0 445.569 5.709 50 0 IKAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C)c3C)[C@H]2c2ccccc2)cc1 ZINC000013119628 132345234 /nfs/dbraw/zinc/34/52/34/132345234.db2.gz XDMYQTSHJPGNAV-JYFHCDHNSA-N 0 0 428.532 5.435 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000013120643 132345402 /nfs/dbraw/zinc/34/54/02/132345402.db2.gz VWCFMKFSSRSUMI-KRWDZBQOSA-N 0 0 435.530 5.302 50 0 IKAARN Cc1nc2cc(NC(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2o1 ZINC000013164293 132346228 /nfs/dbraw/zinc/34/62/28/132346228.db2.gz OLFSZXXHCMWNGG-UHFFFAOYSA-N 0 0 438.837 5.059 50 0 IKAARN O=C(Nc1cc(F)c2nc(N3CCCCC3)ccc2c1)c1ccc(Br)cc1 ZINC000013357395 132346467 /nfs/dbraw/zinc/34/64/67/132346467.db2.gz HTJTWOBZOUDJTP-UHFFFAOYSA-N 0 0 428.305 5.379 50 0 IKAARN CCn1c2cc(NC(=O)Nc3cccc(Cl)c3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000013364837 132346594 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518461902 /nfs/dbraw/zinc/46/19/02/518461902.db2.gz AUBICPMFTARKFW-NRFANRHFSA-N 0 0 438.527 5.008 50 0 IKAARN C/C=C/c1ccc(OCCCn2c3ccccc3nc2[C@@H]2CCCN2C(C)=O)c(OC)c1 ZINC000021787559 518554819 /nfs/dbraw/zinc/55/48/19/518554819.db2.gz OLAASAKHPJMBDJ-YNYHDPJCSA-N 0 0 433.552 5.231 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1csc(-c2ccccn2)n1 ZINC000012750337 518556507 /nfs/dbraw/zinc/55/65/07/518556507.db2.gz WOHVHTQYPSRNOT-UHFFFAOYSA-N 0 0 426.563 5.269 50 0 IKAARN CC(C)(C)C(=O)N1CCCc2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc21 ZINC000012364924 518567635 /nfs/dbraw/zinc/56/76/35/518567635.db2.gz IPNSALMIWOHHEG-UHFFFAOYSA-N 0 0 440.543 5.888 50 0 IKAARN CC(C)(C)CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022640055 518615207 /nfs/dbraw/zinc/61/52/07/518615207.db2.gz QQSIUYOXLTUAJD-QFIPXVFZSA-N 0 0 429.402 5.119 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3c(Cl)cccc3Cl)o2)CC1 ZINC000011903941 518801319 /nfs/dbraw/zinc/80/13/19/518801319.db2.gz HYMJQXVJBDBHFB-UHFFFAOYSA-N 0 0 444.384 5.783 50 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518996873 /nfs/dbraw/zinc/99/68/73/518996873.db2.gz GGXXSXHKFROXSM-UHFFFAOYSA-N 0 0 449.635 5.920 50 0 IKAARN CC(C)(C)c1cc(C(C)(C)C)c(O)c2oc(-c3cccc(I)c3)nc21 ZINC000012381539 518997071 /nfs/dbraw/zinc/99/70/71/518997071.db2.gz MSTITZVLOLUZRM-UHFFFAOYSA-N 0 0 449.332 6.400 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000009660227 519007691 /nfs/dbraw/zinc/00/76/91/519007691.db2.gz HJJPPFYSDDDRTK-UHFFFAOYSA-N 0 0 431.919 6.663 50 0 IKAARN C=CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)c(OCC=C)c1 ZINC000002092316 519013107 /nfs/dbraw/zinc/01/31/07/519013107.db2.gz WRKZOZGRMJORQL-YBFXNURJSA-N 0 0 430.287 5.468 50 0 IKAARN CC(C)(C)c1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCCCC3)O2)cc1 ZINC000012401086 519026458 /nfs/dbraw/zinc/02/64/58/519026458.db2.gz YJZJZJMSDJAVFF-UHFFFAOYSA-N 0 0 435.412 5.424 50 0 IKAARN CC(C)(C)c1ccc(CSc2nncn2-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000012370073 519032818 /nfs/dbraw/zinc/03/28/18/519032818.db2.gz BSEMTDYSISMSDC-UHFFFAOYSA-N 0 0 429.589 6.436 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035928142 519033977 /nfs/dbraw/zinc/03/39/77/519033977.db2.gz SLOYSHKAYFNJSF-VWLOTQADSA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000035928154 519034253 /nfs/dbraw/zinc/03/42/53/519034253.db2.gz JUEKJWWTDPYSOX-VWLOTQADSA-N 0 0 436.621 6.282 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035928123 519034326 /nfs/dbraw/zinc/03/43/26/519034326.db2.gz GGHZXEONHUUPFB-RUZDIDTESA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000035928157 519034773 /nfs/dbraw/zinc/03/47/73/519034773.db2.gz JWTFDKNPDKBYIY-HSZRJFAPSA-N 0 0 436.602 6.077 50 0 IKAARN CC(C)(C)c1ccc(OCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000012565281 519040787 /nfs/dbraw/zinc/04/07/87/519040787.db2.gz BPGNYFRFENXYPX-UHFFFAOYSA-N 0 0 432.568 5.377 50 0 IKAARN CC(C)(C)c1ccc(OCc2nnc3n2N=C(c2ccc(OC(F)F)cc2)CS3)cc1 ZINC000012401119 519041998 /nfs/dbraw/zinc/04/19/98/519041998.db2.gz RYGOQDCDYWTPPR-UHFFFAOYSA-N 0 0 444.507 5.114 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012437065 519048969 /nfs/dbraw/zinc/04/89/69/519048969.db2.gz UHTUCRATYFVMHX-PXJZQJOASA-N 0 0 432.567 7.380 50 0 IKAARN CC(C)(C)c1ccc([C@H](CC(=O)N2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000035893089 519049963 /nfs/dbraw/zinc/04/99/63/519049963.db2.gz CALVOHWXRYNWBP-SANMLTNESA-N 0 0 436.599 6.572 50 0 IKAARN CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000012195408 519051159 /nfs/dbraw/zinc/05/11/59/519051159.db2.gz XLAVZOQIROYJGL-XRKRLSELSA-N 0 0 432.567 7.380 50 0 IKAARN CC(C)(C)c1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000035818778 519051545 /nfs/dbraw/zinc/05/15/45/519051545.db2.gz RSZSSIICSXCYHS-QFIPXVFZSA-N 0 0 441.497 6.442 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000012381192 519377988 /nfs/dbraw/zinc/37/79/88/519377988.db2.gz MBIHRMJAXRNIKP-UHFFFAOYSA-N 0 0 443.330 6.042 50 0 IKAARN CC(C)C(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892250 519473552 /nfs/dbraw/zinc/47/35/52/519473552.db2.gz DQKKLBADFIWJMJ-UHFFFAOYSA-N 0 0 440.657 5.313 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2ccccc2F)cs1)c1cccc(C(F)(F)F)c1 ZINC000012929634 519473531 /nfs/dbraw/zinc/47/35/31/519473531.db2.gz ZGJRHOCTYFINQR-MDZDMXLPSA-N 0 0 449.429 5.638 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2cccc(C)c2)cs1)c1cccc(C(F)(F)F)c1 ZINC000012753656 519473926 /nfs/dbraw/zinc/47/39/26/519473926.db2.gz WUBGAHXJQACICO-MDZDMXLPSA-N 0 0 445.466 5.807 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cs1)c1c(C)cccc1C ZINC000012915822 519474004 /nfs/dbraw/zinc/47/40/04/519474004.db2.gz QGTUGUWCDDMCDU-NDENLUEZSA-N 0 0 431.517 5.097 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2cccc3c2CCCC3)cs1)c1ccccc1F ZINC000012763151 519474362 /nfs/dbraw/zinc/47/43/62/519474362.db2.gz LLTMCVKPTWDETE-BUHFOSPRSA-N 0 0 435.524 5.498 50 0 IKAARN CC(=O)N(c1nc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cs1)c1ccc(F)cc1F ZINC000021674789 519474474 /nfs/dbraw/zinc/47/44/74/519474474.db2.gz NENDXHFECAYWJX-OVCLIPMQSA-N 0 0 431.851 5.252 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2cccc(F)c2)cs1)c1cccc(C(F)(F)F)c1 ZINC000012755127 519474619 /nfs/dbraw/zinc/47/46/19/519474619.db2.gz JVAKNERMKVUSSO-CMDGGOBGSA-N 0 0 449.429 5.638 50 0 IKAARN CC(=O)N(c1nc(CN(C)Cc2ccccc2N2CCCCC2)cs1)c1ccccc1 ZINC000012553468 519476663 /nfs/dbraw/zinc/47/66/63/519476663.db2.gz KUPQOTRFKROGSL-UHFFFAOYSA-N 0 0 434.609 5.450 50 0 IKAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCCC2)cs1)c1ccc(C)cc1C ZINC000012805662 519478848 /nfs/dbraw/zinc/47/88/48/519478848.db2.gz XYGNAJHENHRKKR-UHFFFAOYSA-N 0 0 442.614 5.229 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(C)cc(N)n2)cs1)c1c(C)cc(C)cc1Cl ZINC000022090417 519479314 /nfs/dbraw/zinc/47/93/14/519479314.db2.gz MEVKVTQXWHUHCT-UHFFFAOYSA-N 0 0 433.990 5.071 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)NC(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000035946317 519522562 /nfs/dbraw/zinc/52/25/62/519522562.db2.gz FCOPUSKTEOXZSZ-IBGZPJMESA-N 0 0 438.616 5.418 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccccc1 ZINC000012566733 519559231 /nfs/dbraw/zinc/55/92/31/519559231.db2.gz JZLXUWHXHKVYJG-UHFFFAOYSA-N 0 0 432.343 5.033 50 0 IKAARN CC(C)CC(=O)N(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCCC1 ZINC000035700898 519574914 /nfs/dbraw/zinc/57/49/14/519574914.db2.gz UWCHOARJZQPYIL-UHFFFAOYSA-N 0 0 449.020 5.395 50 0 IKAARN CC(C)CC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)CC(C)C ZINC000036045986 519576193 /nfs/dbraw/zinc/57/61/93/519576193.db2.gz YPHKFFQRXCFXDI-UHFFFAOYSA-N 0 0 432.568 5.009 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(F)cc2)[C@H](C)C(C)C)c1 ZINC000035944681 519604950 /nfs/dbraw/zinc/60/49/50/519604950.db2.gz UIBFEIRIAJBNOQ-LJQANCHMSA-N 0 0 441.591 5.563 50 0 IKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 ZINC000012853608 519605974 /nfs/dbraw/zinc/60/59/74/519605974.db2.gz JXIIUZBESWOTEX-UHFFFAOYSA-N 0 0 427.501 5.098 50 0 IKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000012919244 519606252 /nfs/dbraw/zinc/60/62/52/519606252.db2.gz BJGQQEBQNUNVKH-UHFFFAOYSA-N 0 0 439.519 5.171 50 0 IKAARN CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@@H]1c1ccc(Br)cc1 ZINC000021151686 519638216 /nfs/dbraw/zinc/63/82/16/519638216.db2.gz UQOXGNQEWPMFKE-QGZVFWFLSA-N 0 0 444.112 5.026 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cccc(F)c1 ZINC000032997566 519639087 /nfs/dbraw/zinc/63/90/87/519639087.db2.gz KYPGTYTUIQKIGY-JOCHJYFZSA-N 0 0 438.528 5.178 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cc(F)ccc1F ZINC000032997430 519639758 /nfs/dbraw/zinc/63/97/58/519639758.db2.gz FAAGPLYFLHANHT-OAQYLSRUSA-N 0 0 442.491 5.009 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cc(F)ccc1F ZINC000032997429 519639821 /nfs/dbraw/zinc/63/98/21/519639821.db2.gz FAAGPLYFLHANHT-NRFANRHFSA-N 0 0 442.491 5.009 50 0 IKAARN CC(C)CCN(C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)[C@H](C)c1cccs1 ZINC000009636835 519649967 /nfs/dbraw/zinc/64/99/67/519649967.db2.gz ZHCBQGLORXIPFU-LJQANCHMSA-N 0 0 445.584 6.771 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021869238 519653185 /nfs/dbraw/zinc/65/31/85/519653185.db2.gz WVFPMIRMZJJTCI-RIQBOWGZSA-N 0 0 435.612 5.111 50 0 IKAARN CC(C)N(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccc(F)c1 ZINC000035973302 519653342 /nfs/dbraw/zinc/65/33/42/519653342.db2.gz UDTJTJINBLDRFM-UHFFFAOYSA-N 0 0 448.464 5.147 50 0 IKAARN CC(C)CCNC(=O)[C@@H](C)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020732576 519658654 /nfs/dbraw/zinc/65/86/54/519658654.db2.gz CNAZSPSALINZTE-YCRPNKLZSA-N 0 0 448.991 5.285 50 0 IKAARN CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000012861213 519683268 /nfs/dbraw/zinc/68/32/68/519683268.db2.gz DADHACSINYINTK-XUZZJYLKSA-N 0 0 438.980 5.143 50 0 IKAARN CC(=O)N[C@@H](CC(=O)N[C@H](c1cccs1)c1ccc(C(C)C)cc1)c1cccs1 ZINC000022542847 519684344 /nfs/dbraw/zinc/68/43/44/519684344.db2.gz HRGKYWXXRGBIRP-CVDCTZTESA-N 0 0 426.607 5.406 50 0 IKAARN CC(C)CC[C@H](C)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023335869 519691224 /nfs/dbraw/zinc/69/12/24/519691224.db2.gz OIWFUOZVQGJGOS-KRWDZBQOSA-N 0 0 445.485 5.992 50 0 IKAARN CC(C)CCn1c(=O)c2c(nc1SCc1ccccc1F)c(-c1ccccc1)cn2C ZINC000033114607 519700691 /nfs/dbraw/zinc/70/06/91/519700691.db2.gz HTAVVFIBXJGDFL-UHFFFAOYSA-N 0 0 435.568 5.880 50 0 IKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1 ZINC000021662833 519707845 /nfs/dbraw/zinc/70/78/45/519707845.db2.gz BIYGCHCZBRVASQ-UHFFFAOYSA-N 0 0 429.907 6.074 50 0 IKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)CCCC3 ZINC000021917566 519711332 /nfs/dbraw/zinc/71/13/32/519711332.db2.gz ZVOKNEKULANIPJ-JOCHJYFZSA-N 0 0 440.012 6.094 50 0 IKAARN CC(=O)Nc1ccc(C2(c3ccc(NC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000012584394 519714255 /nfs/dbraw/zinc/71/42/55/519714255.db2.gz VREIZGDCKHSGJD-UHFFFAOYSA-N 0 0 432.523 5.967 50 0 IKAARN CC(=O)Nc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cc(F)ccc2F)cc1 ZINC000020601516 519716253 /nfs/dbraw/zinc/71/62/53/519716253.db2.gz UCIWLRAQAFZJPL-AREMUKBSSA-N 0 0 431.486 5.552 50 0 IKAARN CC(C)NC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000021528317 519716613 /nfs/dbraw/zinc/71/66/13/519716613.db2.gz LTIATKFBVLUSHM-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN CC(C)NC(=O)c1ccc(CSc2nc(C(C)C)cc(N(C)Cc3ccccc3)n2)o1 ZINC000036049822 519717004 /nfs/dbraw/zinc/71/70/04/519717004.db2.gz WWEPXMDUTYGVKD-UHFFFAOYSA-N 0 0 438.597 5.260 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)C1CCCC1 ZINC000035977168 519717779 /nfs/dbraw/zinc/71/77/79/519717779.db2.gz XTBRXBRSWMEMQO-UHFFFAOYSA-N 0 0 449.570 6.193 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)C1CCC1 ZINC000035977152 519717938 /nfs/dbraw/zinc/71/79/38/519717938.db2.gz CXECGHRISBVIIG-UHFFFAOYSA-N 0 0 435.543 5.803 50 0 IKAARN CC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccc(F)c1 ZINC000035972066 519717997 /nfs/dbraw/zinc/71/79/97/519717997.db2.gz YYSWJPJUNYDCOC-UHFFFAOYSA-N 0 0 436.575 5.499 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000035944249 519718335 /nfs/dbraw/zinc/71/83/35/519718335.db2.gz MWPWXZVPTJOTNU-UHFFFAOYSA-N 0 0 441.641 5.170 50 0 IKAARN CC(C)CN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1c(F)cccc1F ZINC000035844669 519718701 /nfs/dbraw/zinc/71/87/01/519718701.db2.gz QYXZIUGMGWYRIR-UHFFFAOYSA-N 0 0 436.468 6.492 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H]1c1cccs1 ZINC000020904443 519719796 /nfs/dbraw/zinc/71/97/96/519719796.db2.gz LCPUEMUJQJECLB-NWVWQQAFSA-N 0 0 432.589 5.562 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 ZINC000020858416 519719828 /nfs/dbraw/zinc/71/98/28/519719828.db2.gz DFMAAJACOREPDT-ZEQRLZLVSA-N 0 0 432.589 5.044 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000020904373 519719883 /nfs/dbraw/zinc/71/98/83/519719883.db2.gz WFDGBVVOYKKDJG-YADHBBJMSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccsc2)[C@@H]1c1cccs1 ZINC000020904435 519719981 /nfs/dbraw/zinc/71/99/81/519719981.db2.gz JBYTWUBWGWMREQ-VXKWHMMOSA-N 0 0 438.618 5.105 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C2CCCCC2)cc1 ZINC000012519993 519725149 /nfs/dbraw/zinc/72/51/49/519725149.db2.gz LLXAQVAFLADALI-INIZCTEOSA-N 0 0 436.581 5.619 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)nc3ccccc32)cc1 ZINC000012379661 519725402 /nfs/dbraw/zinc/72/54/02/519725402.db2.gz DDUXPAKPBKPPQZ-UHFFFAOYSA-N 0 0 435.527 5.991 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881196 519725904 /nfs/dbraw/zinc/72/59/04/519725904.db2.gz KXKGDUUSKUQOKP-UHFFFAOYSA-N 0 0 430.504 5.190 50 0 IKAARN CC(=O)Nc1ccc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000035446486 519727460 /nfs/dbraw/zinc/72/74/60/519727460.db2.gz UJGCKWZLSOBFTG-UHFFFAOYSA-N 0 0 436.475 5.357 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000035768742 519735179 /nfs/dbraw/zinc/73/51/79/519735179.db2.gz JOIDDJMPAXXFMT-VWLOTQADSA-N 0 0 426.560 6.265 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000035768743 519735293 /nfs/dbraw/zinc/73/52/93/519735293.db2.gz JOIDDJMPAXXFMT-RUZDIDTESA-N 0 0 426.560 6.265 50 0 IKAARN CC(C)CNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000034679721 519735476 /nfs/dbraw/zinc/73/54/76/519735476.db2.gz DGCJIUHYWBOEJJ-UHFFFAOYSA-N 0 0 436.502 5.127 50 0 IKAARN CC(C)CNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000034680002 519735717 /nfs/dbraw/zinc/73/57/17/519735717.db2.gz SOTXXIZPVNEDEM-DTQAZKPQSA-N 0 0 444.550 5.387 50 0 IKAARN CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 ZINC000012804053 519738231 /nfs/dbraw/zinc/73/82/31/519738231.db2.gz FITPDAYDWGEVGK-JOCHJYFZSA-N 0 0 436.895 5.144 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000023136588 519742321 /nfs/dbraw/zinc/74/23/21/519742321.db2.gz SOSFVEZDCHXCTC-UHFFFAOYSA-N 0 0 434.443 5.045 50 0 IKAARN CC(=O)OC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000009311199 519754406 /nfs/dbraw/zinc/75/44/06/519754406.db2.gz MUVBMMRVPDLDBU-UHFFFAOYSA-N 0 0 432.523 6.534 50 0 IKAARN CC(=O)O[C@@H](C(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21)c1ccccc1 ZINC000001072957 519756829 /nfs/dbraw/zinc/75/68/29/519756829.db2.gz JEBRDMJUKDSQIY-OAQYLSRUSA-N 0 0 443.446 6.139 50 0 IKAARN 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](C)[C@@]2(O)C1 ZINC000012871361 519758281 /nfs/dbraw/zinc/75/82/81/519758281.db2.gz MAKUVLYPLCQIEK-LCXWCDESSA-N 0 0 444.656 5.697 50 0 biogenic IKAARN CC(C)COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000035777907 519765902 /nfs/dbraw/zinc/76/59/02/519765902.db2.gz YMDOYFBQYXCJGB-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN CC(C)COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2cccc(NC(=O)C(C)C)c2)n1 ZINC000037385423 519765940 /nfs/dbraw/zinc/76/59/40/519765940.db2.gz HOPCJCFEZFGDFG-UHFFFAOYSA-N 0 0 446.473 5.582 50 0 IKAARN CC(C)COc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385532 519766078 /nfs/dbraw/zinc/76/60/78/519766078.db2.gz VBKGZVAUHLSFHV-UHFFFAOYSA-N 0 0 436.512 5.422 50 0 IKAARN CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012549367 519774863 /nfs/dbraw/zinc/77/48/63/519774863.db2.gz HKYNWFQYQHBFEE-UHFFFAOYSA-N 0 0 443.587 7.078 50 0 IKAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3nc4ccccc4s3)C2)c1 ZINC000011933430 519782587 /nfs/dbraw/zinc/78/25/87/519782587.db2.gz DUUAKYXHFPAXJH-LJQANCHMSA-N 0 0 436.577 5.138 50 0 IKAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000037385303 519785555 /nfs/dbraw/zinc/78/55/55/519785555.db2.gz GJGZVVZYWXUZAJ-UHFFFAOYSA-N 0 0 434.446 5.252 50 0 IKAARN CC(C)Sc1ccc(Cc2nnc(NC(=O)c3ccc(Br)s3)o2)cc1 ZINC000035588394 519787896 /nfs/dbraw/zinc/78/78/96/519787896.db2.gz CRCZNBLYTHFCRG-UHFFFAOYSA-N 0 0 438.372 5.237 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl ZINC000035550786 519803235 /nfs/dbraw/zinc/80/32/35/519803235.db2.gz RVXLAJWXRNFIQJ-HACGYAERSA-N 0 0 431.754 5.263 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl ZINC000035544355 519803253 /nfs/dbraw/zinc/80/32/53/519803253.db2.gz OGWPBRLXWMQHMA-UKPHBRMFSA-N 0 0 433.397 5.633 50 0 IKAARN CC(C)[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1F ZINC000021889741 519807507 /nfs/dbraw/zinc/80/75/07/519807507.db2.gz NETPCUOXOLGFMV-OAQYLSRUSA-N 0 0 442.332 6.124 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000035945142 519812022 /nfs/dbraw/zinc/81/20/22/519812022.db2.gz JNMLLQQERORDDS-SFHVURJKSA-N 0 0 439.575 5.317 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl ZINC000012600610 519825695 /nfs/dbraw/zinc/82/56/95/519825695.db2.gz RVXLAJWXRNFIQJ-MRRJBJDNSA-N 0 0 431.754 5.263 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000012600515 519825712 /nfs/dbraw/zinc/82/57/12/519825712.db2.gz GZYVZMWMBUTUMQ-UMHPPVOVSA-N 0 0 431.356 5.308 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442259 519825753 /nfs/dbraw/zinc/82/57/53/519825753.db2.gz DKXAFVUPTBRPIK-XIGLYXCTSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl ZINC000035550778 519825769 /nfs/dbraw/zinc/82/57/69/519825769.db2.gz RVXLAJWXRNFIQJ-SUYBPPKGSA-N 0 0 431.754 5.263 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F ZINC000239338613 519825811 /nfs/dbraw/zinc/82/58/11/519825811.db2.gz KVALJVQIKPOBBW-BCPQDJQPSA-N 0 0 447.531 5.964 50 0 IKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C(C)C)c1 ZINC000020806016 519832826 /nfs/dbraw/zinc/83/28/26/519832826.db2.gz REFPXYAECWJTOJ-MQAYZUIZSA-N 0 0 445.713 6.940 50 0 IKAARN CC(C)c1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 ZINC000012800061 519833861 /nfs/dbraw/zinc/83/38/61/519833861.db2.gz PDMGXMGMOQHPPP-UHFFFAOYSA-N 0 0 447.526 6.023 50 0 IKAARN CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(OCC(F)(F)F)cc3)n2)cc1 ZINC000022418318 519833918 /nfs/dbraw/zinc/83/39/18/519833918.db2.gz FVPPZLBESOQEGD-UHFFFAOYSA-N 0 0 447.457 5.050 50 0 IKAARN CC(C)c1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 ZINC000020550430 519834243 /nfs/dbraw/zinc/83/42/43/519834243.db2.gz HZMGDQDFHBWWRF-UHFFFAOYSA-N 0 0 436.968 5.928 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000035910386 519836621 /nfs/dbraw/zinc/83/66/21/519836621.db2.gz SPABZCKKOHIJFJ-AREMUKBSSA-N 0 0 430.573 5.770 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1 ZINC000035910442 519836622 /nfs/dbraw/zinc/83/66/22/519836622.db2.gz ZDOCROZTFHGHSW-XMMPIXPASA-N 0 0 436.602 5.831 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000035910462 519836695 /nfs/dbraw/zinc/83/66/95/519836695.db2.gz OTFLJEGJWJALTE-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902829 519836718 /nfs/dbraw/zinc/83/67/18/519836718.db2.gz AQWTVNMTJIHVBB-MUUNZHRXSA-N 0 0 443.591 5.633 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035910449 519836807 /nfs/dbraw/zinc/83/68/07/519836807.db2.gz ABWRWXJNPYEHEI-MHZLTWQESA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1 ZINC000035462954 519837043 /nfs/dbraw/zinc/83/70/43/519837043.db2.gz DHBRUDCAWKBAIK-UHFFFAOYSA-N 0 0 428.561 6.131 50 0 IKAARN CC(C)c1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015391066 519837088 /nfs/dbraw/zinc/83/70/88/519837088.db2.gz MDDPAALPJWWNAD-HXUWFJFHSA-N 0 0 434.989 5.035 50 0 IKAARN CC(C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 ZINC000015680802 519837116 /nfs/dbraw/zinc/83/71/16/519837116.db2.gz MXOKEIDFWOYNQY-UHFFFAOYSA-N 0 0 446.572 5.377 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc1 ZINC000035533208 519837215 /nfs/dbraw/zinc/83/72/15/519837215.db2.gz WPNHUFVGKRNYDV-UHFFFAOYSA-N 0 0 441.626 5.177 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(F)cc2)cc1 ZINC000034927456 519837319 /nfs/dbraw/zinc/83/73/19/519837319.db2.gz XQJXHXDDEULWCG-UHFFFAOYSA-N 0 0 427.545 5.053 50 0 IKAARN CC(C)c1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)cc1 ZINC000034927426 519837424 /nfs/dbraw/zinc/83/74/24/519837424.db2.gz ATSRXOGCGOZQQV-UHFFFAOYSA-N 0 0 444.000 5.567 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4Cl)no3)C2)cc1 ZINC000021940079 519838429 /nfs/dbraw/zinc/83/84/29/519838429.db2.gz NPDNDOCEEQTHBI-QGZVFWFLSA-N 0 0 445.972 5.082 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1 ZINC000021357089 519838773 /nfs/dbraw/zinc/83/87/73/519838773.db2.gz RXMNJALZGOVFPN-UHFFFAOYSA-N 0 0 433.577 5.283 50 0 IKAARN CC(C)c1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000020724923 519838899 /nfs/dbraw/zinc/83/88/99/519838899.db2.gz RVKYIGMDZIMLTB-AXHZCLLHSA-N 0 0 432.633 7.064 50 0 IKAARN CC(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021536354 519839750 /nfs/dbraw/zinc/83/97/50/519839750.db2.gz FXPTWZPEFZRKBZ-MUUNZHRXSA-N 0 0 435.571 6.416 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000012194459 519840372 /nfs/dbraw/zinc/84/03/72/519840372.db2.gz QDIIWHWKYDTZPI-NFBKMPQASA-N 0 0 437.337 6.408 50 0 IKAARN CC(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021889551 519840388 /nfs/dbraw/zinc/84/03/88/519840388.db2.gz FYCJPOWEXRBXRV-MHZLTWQESA-N 0 0 439.534 6.877 50 0 IKAARN CC(C)c1ccc2oc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)nc2c1 ZINC000002319976 519840797 /nfs/dbraw/zinc/84/07/97/519840797.db2.gz CYJATCZIMOVBLD-UHFFFAOYSA-N 0 0 430.891 7.270 50 0 IKAARN CC(C)c1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1 ZINC000035533737 519841841 /nfs/dbraw/zinc/84/18/41/519841841.db2.gz UIDXPFFFYLFZBZ-OAHLLOKOSA-N 0 0 441.626 5.177 50 0 IKAARN CC(C)c1ccccc1-n1c(SCc2cc(-c3ccco3)on2)nnc1-c1cccnc1 ZINC000018282876 519844383 /nfs/dbraw/zinc/84/43/83/519844383.db2.gz HJKSXCCTCANYSB-UHFFFAOYSA-N 0 0 443.532 5.993 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000034797026 519844662 /nfs/dbraw/zinc/84/46/62/519844662.db2.gz SGPIQZZQTIKKCO-HHHXNRCGSA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)Cc1cccs1 ZINC000035927553 519844674 /nfs/dbraw/zinc/84/46/74/519844674.db2.gz NQHLWLJQLVZQSI-DEOSSOPVSA-N 0 0 436.602 5.831 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)CCc1ccccc1 ZINC000035927565 519844695 /nfs/dbraw/zinc/84/46/95/519844695.db2.gz IFSWQFDNPNEAEA-MHZLTWQESA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccccc1F ZINC000035927574 519844765 /nfs/dbraw/zinc/84/47/65/519844765.db2.gz MQNHEOLXFCLRLR-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CCCN1c2ccc(-c3noc(/C=C/c4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000035511156 519865029 /nfs/dbraw/zinc/86/50/29/519865029.db2.gz WSMJYLQCFNYUCQ-NTCAYCPXSA-N 0 0 439.540 6.428 50 0 IKAARN CCCN1c2ccc(C)cc2[C@H](Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000020868406 519865138 /nfs/dbraw/zinc/86/51/38/519865138.db2.gz VUOHDNZAZMKSPQ-QHCPKHFHSA-N 0 0 437.543 5.085 50 0 IKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000000724771 519878307 /nfs/dbraw/zinc/87/83/07/519878307.db2.gz LUPCCGVQIKIEFE-UHFFFAOYSA-N 0 0 428.960 6.144 50 0 IKAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(CC1CC1)C(=O)c1cccc(F)c1 ZINC000035972332 519881563 /nfs/dbraw/zinc/88/15/63/519881563.db2.gz SUHGSWZGHWMPJD-UHFFFAOYSA-N 0 0 434.559 5.253 50 0 IKAARN CCCNC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035396258 519881834 /nfs/dbraw/zinc/88/18/34/519881834.db2.gz OBOWUXUVHLIALC-RUZDIDTESA-N 0 0 428.551 6.185 50 0 IKAARN CCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000035978361 519883093 /nfs/dbraw/zinc/88/30/93/519883093.db2.gz RGLQUSOIVTYSEN-UHFFFAOYSA-N 0 0 442.510 5.583 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000035978475 519883323 /nfs/dbraw/zinc/88/33/23/519883323.db2.gz KWTWYYNPGPCTBH-UHFFFAOYSA-N 0 0 448.567 5.313 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000035978349 519883359 /nfs/dbraw/zinc/88/33/59/519883359.db2.gz NHGZGUWOBJAZEB-UHFFFAOYSA-N 0 0 442.510 5.581 50 0 IKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000035978500 519883376 /nfs/dbraw/zinc/88/33/76/519883376.db2.gz XQPBULYQJBIMJS-UHFFFAOYSA-N 0 0 436.556 5.312 50 0 IKAARN CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020736177 519897932 /nfs/dbraw/zinc/89/79/32/519897932.db2.gz MLRWICBXOVHUIH-JLPGSUDCSA-N 0 0 446.547 5.646 50 0 IKAARN CCOCCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccc(Cl)cc21 ZINC000020859629 519898470 /nfs/dbraw/zinc/89/84/70/519898470.db2.gz AWYGVWXSIUXSND-UHFFFAOYSA-N 0 0 449.864 5.455 50 0 IKAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1cc(C)ccc1C)n(CC(C)C)c2=O ZINC000033076952 519900875 /nfs/dbraw/zinc/90/08/75/519900875.db2.gz LPYOEVFJQYDWKV-UHFFFAOYSA-N 0 0 437.609 5.101 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(C)c(C)c1 ZINC000023327628 519901560 /nfs/dbraw/zinc/90/15/60/519901560.db2.gz PNROJSOJEYVOME-UHFFFAOYSA-N 0 0 426.582 5.549 50 0 IKAARN CC(C)c1noc([C@@H](C)Sc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 ZINC000012912083 519908618 /nfs/dbraw/zinc/90/86/18/519908618.db2.gz MXDHWDZCADIYRV-MRXNPFEDSA-N 0 0 439.610 5.533 50 0 IKAARN CCCCC1CCC(C(=O)Nc2nn3c(nnc3-c3ccc(OCC)cc3)s2)CC1 ZINC000041108782 519919699 /nfs/dbraw/zinc/91/96/99/519919699.db2.gz HMSLXKMQVFZGFP-UHFFFAOYSA-N 0 0 427.574 5.187 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1)C1CCCCC1 ZINC000012547064 519920460 /nfs/dbraw/zinc/92/04/60/519920460.db2.gz OGSOEUXLBWFMAI-UHFFFAOYSA-N 0 0 448.636 5.824 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1)C1CCCCC1 ZINC000012547024 519920841 /nfs/dbraw/zinc/92/08/41/519920841.db2.gz YLWNBOTYYLMDOV-UHFFFAOYSA-N 0 0 448.636 5.824 50 0 IKAARN CC(C)n1c(SCc2ccc(F)cc2Cl)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017099906 519922724 /nfs/dbraw/zinc/92/27/24/519922724.db2.gz XDLUZACPQSPXGD-ZDUSSCGKSA-N 0 0 436.021 6.797 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865783 519926657 /nfs/dbraw/zinc/92/66/57/519926657.db2.gz VFJDONYGIKWVMY-KRWDZBQOSA-N 0 0 428.646 5.168 50 0 IKAARN CCN(C(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)c1cccc(C)c1 ZINC000033048888 519935908 /nfs/dbraw/zinc/93/59/08/519935908.db2.gz ITXRQDNLELVSFG-UHFFFAOYSA-N 0 0 449.913 5.218 50 0 IKAARN CCCCCCC(=O)N(CCC)CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000035700861 519951582 /nfs/dbraw/zinc/95/15/82/519951582.db2.gz FIIJPLQJKKCDTF-UHFFFAOYSA-N 0 0 437.009 5.396 50 0 IKAARN CCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)CC(C)C ZINC000035771123 519951599 /nfs/dbraw/zinc/95/15/99/519951599.db2.gz XPNSKRPZEJRYHF-UHFFFAOYSA-N 0 0 446.632 5.871 50 0 IKAARN CCCCCCC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035849386 519952670 /nfs/dbraw/zinc/95/26/70/519952670.db2.gz BKGMGSIEYJBJTO-GOSISDBHSA-N 0 0 442.673 5.703 50 0 IKAARN CCCCCCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccccc2F)cc1 ZINC000035777944 519958028 /nfs/dbraw/zinc/95/80/28/519958028.db2.gz SBTJTENXCJWJQN-UHFFFAOYSA-N 0 0 438.547 6.017 50 0 IKAARN CC(C)n1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(-c3ccccc3)c2)cn1 ZINC000012314715 519980860 /nfs/dbraw/zinc/98/08/60/519980860.db2.gz XYUKLSIWEKGFKM-MHZLTWQESA-N 0 0 436.563 5.279 50 0 IKAARN CCN(C(=O)[C@@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(OC)cc1 ZINC000065031762 520014935 /nfs/dbraw/zinc/01/49/35/520014935.db2.gz ZIZCJHYCKFBTON-GOSISDBHSA-N 0 0 427.504 5.126 50 0 IKAARN CCCCCCNC(=O)C[C@H](c1cn(CC)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000035872339 520086502 /nfs/dbraw/zinc/08/65/02/520086502.db2.gz BHAJPNMURJBWCF-DEOSSOPVSA-N 0 0 436.596 5.897 50 0 IKAARN CCCCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)cc1OC ZINC000035910624 520086634 /nfs/dbraw/zinc/08/66/34/520086634.db2.gz NNIUBKPCQOCUAE-HSZRJFAPSA-N 0 0 436.596 5.966 50 0 IKAARN CCCCCCNC(=O)C[C@@H](c1cn(CC)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000035872340 520086749 /nfs/dbraw/zinc/08/67/49/520086749.db2.gz BHAJPNMURJBWCF-XMMPIXPASA-N 0 0 436.596 5.897 50 0 IKAARN CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192225 520107683 /nfs/dbraw/zinc/10/76/83/520107683.db2.gz NDKACQGBXQYWOY-IAPPQJPRSA-N 0 0 426.560 6.888 50 0 IKAARN CCCCCCc1ccc(C(=O)N[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000035752711 520136397 /nfs/dbraw/zinc/13/63/97/520136397.db2.gz ARKDMPTZOMTOJN-KRWDZBQOSA-N 0 0 436.581 5.085 50 0 IKAARN CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(C(=O)OC)cc3)cc2oc1=O ZINC000011866657 520137359 /nfs/dbraw/zinc/13/73/59/520137359.db2.gz XPPVTZXGMNWUCL-UHFFFAOYSA-N 0 0 442.939 6.243 50 0 IKAARN CCCCCCn1nc(C(=O)OCc2ccc(Br)cc2)c2ccccc2c1=O ZINC000012621170 520140117 /nfs/dbraw/zinc/14/01/17/520140117.db2.gz FTLXXLZGODMGFI-UHFFFAOYSA-N 0 0 443.341 5.096 50 0 IKAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1 ZINC000035809398 520154500 /nfs/dbraw/zinc/15/45/00/520154500.db2.gz KEPFOZFVLLEVLE-UHFFFAOYSA-N 0 0 436.552 5.085 50 0 IKAARN CCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)C1CC1 ZINC000016435936 520155104 /nfs/dbraw/zinc/15/51/04/520155104.db2.gz VDQPKYXATPEZFS-UHFFFAOYSA-N 0 0 438.616 5.154 50 0 IKAARN CCCCCN1CC(=O)N2C[C@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012872830 520179444 /nfs/dbraw/zinc/17/94/44/520179444.db2.gz JCBNIGDJJIATDY-IBVKSMDESA-N 0 0 449.982 5.043 50 0 biogenic IKAARN CCCCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768782 520197358 /nfs/dbraw/zinc/19/73/58/520197358.db2.gz YBTUAACTUJNOAN-SANMLTNESA-N 0 0 442.578 6.657 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(C)cc3)c21 ZINC000033085625 520219709 /nfs/dbraw/zinc/21/97/09/520219709.db2.gz RRHZMWQKJKUOHY-UHFFFAOYSA-N 0 0 428.536 5.529 50 0 IKAARN CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccccc1Cl ZINC000012062871 520242149 /nfs/dbraw/zinc/24/21/49/520242149.db2.gz SKKCCNMVGHTQEC-CCEZHUSRSA-N 0 0 446.871 6.002 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000012192895 520255999 /nfs/dbraw/zinc/25/59/99/520255999.db2.gz QCAJQTVUTNCVIG-YWEHKCAJSA-N 0 0 442.559 6.507 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC ZINC000012934865 520291401 /nfs/dbraw/zinc/29/14/01/520291401.db2.gz CNWBPNFDOMSJNV-OAHLLOKOSA-N 0 0 444.984 5.767 50 0 IKAARN CCO[C@@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1OC)c1ccccc1 ZINC000012411224 520317055 /nfs/dbraw/zinc/31/70/55/520317055.db2.gz LRPOESZCGZJVOM-HSZRJFAPSA-N 0 0 446.572 6.300 50 0 IKAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1OCCC ZINC000016753427 520318295 /nfs/dbraw/zinc/31/82/95/520318295.db2.gz NJSQBIPXXGRSKB-UHFFFAOYSA-N 0 0 439.512 5.354 50 0 IKAARN CCCCCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3)cc2)cc1 ZINC000035908748 520323108 /nfs/dbraw/zinc/32/31/08/520323108.db2.gz LFXHFCBFSUUPPL-MHZLTWQESA-N 0 0 444.600 6.450 50 0 IKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@@H](C(=O)OC)c3ccc(OC)cc3)C2)cc1 ZINC000022643755 520323559 /nfs/dbraw/zinc/32/35/59/520323559.db2.gz KUMPOIKPOYPREE-OYRHQHFDSA-N 0 0 435.564 5.059 50 0 IKAARN CCCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3)cc2)cc1 ZINC000035908747 520323627 /nfs/dbraw/zinc/32/36/27/520323627.db2.gz LFXHFCBFSUUPPL-HHHXNRCGSA-N 0 0 444.600 6.450 50 0 IKAARN CCCCCn1c2ccccc2nc1SCC(=O)Nc1ccccc1Br ZINC000013146018 520332543 /nfs/dbraw/zinc/33/25/43/520332543.db2.gz AQQZBJRCSKKYGN-UHFFFAOYSA-N 0 0 432.387 5.720 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1coc(-c2ccc(C)cc2C)n1 ZINC000012796926 520352011 /nfs/dbraw/zinc/35/20/11/520352011.db2.gz RYQSSRKSWCOWDT-UHFFFAOYSA-N 0 0 432.351 5.726 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000012481300 520353419 /nfs/dbraw/zinc/35/34/19/520353419.db2.gz OYBVTNPVOGMTQL-LBPRGKRZSA-N 0 0 425.381 5.281 50 0 IKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1coc(-c2ccc(C)cc2C)n1 ZINC000012866557 520368807 /nfs/dbraw/zinc/36/88/07/520368807.db2.gz BRHRSUWHGOHPLK-UHFFFAOYSA-N 0 0 431.458 5.438 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1OC ZINC000035170873 520434565 /nfs/dbraw/zinc/43/45/65/520434565.db2.gz IFLDOOUWOABTNH-MRXNPFEDSA-N 0 0 425.916 5.106 50 0 IKAARN CCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000034795548 520441534 /nfs/dbraw/zinc/44/15/34/520441534.db2.gz RCRYIYGOTJNAPB-UHFFFAOYSA-N 0 0 446.632 5.789 50 0 IKAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)Nc2ccc(SC)cc2)CC1 ZINC000012431107 520459459 /nfs/dbraw/zinc/45/94/59/520459459.db2.gz VNXHDJQJHRJRNC-UHFFFAOYSA-N 0 0 426.582 5.219 50 0 IKAARN CCCOc1ccccc1[C@@H]1SCCNc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000020442981 520486077 /nfs/dbraw/zinc/48/60/77/520486077.db2.gz IXYIWARWKFAYTO-SANMLTNESA-N 0 0 441.600 6.576 50 0 IKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009311232 520498614 /nfs/dbraw/zinc/49/86/14/520498614.db2.gz ZXQYFXDMXGZFEV-UHFFFAOYSA-N 0 0 440.657 6.621 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cc(C)ccc3C)nn2[C@@H]1c1ccc(C)cc1 ZINC000020850638 520506071 /nfs/dbraw/zinc/50/60/71/520506071.db2.gz HEXFROGRMIAAHH-JOCHJYFZSA-N 0 0 448.592 5.348 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2)c1-c1ccc(F)c(F)c1 ZINC000023462092 520516713 /nfs/dbraw/zinc/51/67/13/520516713.db2.gz ZRZAJSAGYAZPSO-UHFFFAOYSA-N 0 0 434.486 6.475 50 0 IKAARN CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC000012311200 520522731 /nfs/dbraw/zinc/52/27/31/520522731.db2.gz TWPGDJCMZLPYCW-YKSBVNFPSA-N 0 0 447.406 5.738 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccccc1 ZINC000020578291 520546680 /nfs/dbraw/zinc/54/66/80/520546680.db2.gz LPUFZVWPBJSQAG-UHFFFAOYSA-N 0 0 441.000 5.709 50 0 IKAARN CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000012554496 520555461 /nfs/dbraw/zinc/55/54/61/520555461.db2.gz MKJFRKMDMMYJRV-ZDUSSCGKSA-N 0 0 441.881 5.280 50 0 IKAARN CCOC(=O)C1CCN(C(=O)C[C@@H](c2cn(CC)c3ccccc23)c2cccc(C)c2)CC1 ZINC000035872449 520563696 /nfs/dbraw/zinc/56/36/96/520563696.db2.gz DQPQBKJZQNVTLK-XMMPIXPASA-N 0 0 446.591 5.293 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4nc5ccccc5s4)cc3)c2O1 ZINC000009659770 520585452 /nfs/dbraw/zinc/58/54/52/520585452.db2.gz CKGYBUTUFUTQEL-UHFFFAOYSA-N 0 0 430.529 5.841 50 0 IKAARN CCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037385639 520591961 /nfs/dbraw/zinc/59/19/61/520591961.db2.gz BBIGHWSQOKSXKI-QHCPKHFHSA-N 0 0 432.955 5.333 50 0 IKAARN CCOC(=O)CC1=CC(S[C@@H](CC)C(=O)N2CCc3ccccc32)=Nc2ccccc2N1 ZINC000035480726 520609358 /nfs/dbraw/zinc/60/93/58/520609358.db2.gz NEESELSKKHNGNN-QFIPXVFZSA-N 0 0 449.576 5.080 50 0 IKAARN CCOC(=O)CC1=CC(S[C@H](CC)C(=O)N2CCc3ccccc32)=Nc2ccccc2N1 ZINC000035480728 520609781 /nfs/dbraw/zinc/60/97/81/520609781.db2.gz NEESELSKKHNGNN-JOCHJYFZSA-N 0 0 449.576 5.080 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000012658241 520611273 /nfs/dbraw/zinc/61/12/73/520611273.db2.gz CVNNVTLAZGNFPJ-XLVZBRSZSA-N 0 0 427.544 6.973 50 0 biogenic IKAARN CCOc1cc(-c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021149273 520611640 /nfs/dbraw/zinc/61/16/40/520611640.db2.gz VMHMPYUXJUVREN-UHFFFAOYSA-N 0 0 432.447 5.834 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc21 ZINC000033129199 520612964 /nfs/dbraw/zinc/61/29/64/520612964.db2.gz YQMDDBZSTGXZAD-UHFFFAOYSA-N 0 0 443.503 5.962 50 0 IKAARN CCOc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)c1cncs1)C2 ZINC000012041140 520613456 /nfs/dbraw/zinc/61/34/56/520613456.db2.gz ICKFBYWPBKZLLF-UHFFFAOYSA-N 0 0 436.558 5.458 50 0 IKAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccccc1F ZINC000033013259 520613845 /nfs/dbraw/zinc/61/38/45/520613845.db2.gz DXAQTTGQRYQXCT-UHFFFAOYSA-N 0 0 447.466 5.267 50 0 IKAARN CCCCNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1 ZINC000012695151 520623026 /nfs/dbraw/zinc/62/30/26/520623026.db2.gz PUENKUIYQBJHTJ-BMRADRMJSA-N 0 0 434.561 5.246 50 0 IKAARN CCOC(=O)CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)CC)C2 ZINC000022345956 520625510 /nfs/dbraw/zinc/62/55/10/520625510.db2.gz BCTYSSUWBMYIOU-HNNXBMFYSA-N 0 0 437.602 5.138 50 0 IKAARN CCCCNC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000035815794 520629413 /nfs/dbraw/zinc/62/94/13/520629413.db2.gz VZWQDVWXEQYEKZ-MHZLTWQESA-N 0 0 438.615 6.745 50 0 IKAARN CC1(C)[C@H](C(=O)N[C@H](NC2CCCCC2)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000035047591 520646259 /nfs/dbraw/zinc/64/62/59/520646259.db2.gz KBOJCECEPHHEFJ-OSMZGAPFSA-N 0 0 436.638 5.312 50 0 IKAARN CC1(C)[C@H](C(=O)N[C@H](Nc2ccc(F)cc2)C(=O)c2ccccc2)[C@H]1C=C(Cl)Cl ZINC000035047398 520646748 /nfs/dbraw/zinc/64/67/48/520646748.db2.gz IFWQEPZBUQMECD-KPFFTGBYSA-N 0 0 435.326 5.154 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)ccc1OC(F)F ZINC000012775921 520667561 /nfs/dbraw/zinc/66/75/61/520667561.db2.gz ASIBKVFZRYZXNO-UHFFFAOYSA-N 0 0 445.491 5.046 50 0 IKAARN CCCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732123 520681925 /nfs/dbraw/zinc/68/19/25/520681925.db2.gz JAZMPFKWYWBBNY-NLRVBDNBSA-N 0 0 440.543 5.492 50 0 IKAARN CCOc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)ccc1O ZINC000012582988 520691008 /nfs/dbraw/zinc/69/10/08/520691008.db2.gz ADJBEJGARXYBFB-UHFFFAOYSA-N 0 0 430.554 6.599 50 0 IKAARN CCC[C@@H](NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1cccs1 ZINC000021915455 520750846 /nfs/dbraw/zinc/75/08/46/520750846.db2.gz JYUYKBMOBIHXJX-OAQYLSRUSA-N 0 0 447.604 5.856 50 0 IKAARN CCCCOCCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023441428 520755474 /nfs/dbraw/zinc/75/54/74/520755474.db2.gz METQRMMGRVJVAR-UHFFFAOYSA-N 0 0 427.548 5.834 50 0 IKAARN CCC[C@@H](NCc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)c1ccccc1 ZINC000016046675 520784830 /nfs/dbraw/zinc/78/48/30/520784830.db2.gz NTIMZCLFZCADID-XMMPIXPASA-N 0 0 427.548 5.415 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)cc1)N(c1ccc(C(C)C)cc1)C(=O)C2 ZINC000020868009 520797579 /nfs/dbraw/zinc/79/75/79/520797579.db2.gz NPLZHTUVTWBFKZ-MUUNZHRXSA-N 0 0 447.550 6.425 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(Cl)c1)N(c1ccc(C)cc1)C(=O)C2 ZINC000020867937 520799468 /nfs/dbraw/zinc/79/94/68/520799468.db2.gz YLLSCYSKITYYCV-SANMLTNESA-N 0 0 435.951 6.125 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)N(c1ccc(CC)cc1)C(=O)C2 ZINC000020446282 520800026 /nfs/dbraw/zinc/80/00/26/520800026.db2.gz WSZAXSAJOBRJHG-LJAQVGFWSA-N 0 0 443.587 6.288 50 0 IKAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)Nc2ccccc2F)c3C)cc1OCC ZINC000021913823 520802985 /nfs/dbraw/zinc/80/29/85/520802985.db2.gz FGIKYEHPGSBDKU-UHFFFAOYSA-N 0 0 448.498 5.202 50 0 IKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(OC)cc3)c2)cc1 ZINC000012662218 520807464 /nfs/dbraw/zinc/80/74/64/520807464.db2.gz ALZLQEKQDXMYCG-ZZIIXHQDSA-N 0 0 429.516 6.365 50 0 biogenic IKAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 ZINC000012441071 520808748 /nfs/dbraw/zinc/80/87/48/520808748.db2.gz HBXTXSIHDJBIIS-UHFFFAOYSA-N 0 0 446.334 5.035 50 0 IKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cc4ccccc4o3)n2)cc1 ZINC000012442199 520810712 /nfs/dbraw/zinc/81/07/12/520810712.db2.gz GRMGODRXTDTPQK-UHFFFAOYSA-N 0 0 444.516 5.701 50 0 IKAARN CCC[C@@H](Sc1nnc(-c2cc(OC)cc(OC)c2)n1C1CCCCC1)C(=O)OCC ZINC000035847551 520811713 /nfs/dbraw/zinc/81/17/13/520811713.db2.gz AUPPZSQOLFXHQI-HXUWFJFHSA-N 0 0 447.601 5.291 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(C)c(C)c1)n2C(C)C ZINC000023433770 520812735 /nfs/dbraw/zinc/81/27/35/520812735.db2.gz RQWHUWMERBTHKM-UHFFFAOYSA-N 0 0 445.654 5.557 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(C)ccc1C)n2C(C)C ZINC000023435286 520813678 /nfs/dbraw/zinc/81/36/78/520813678.db2.gz SXNKKONVHZPMHN-UHFFFAOYSA-N 0 0 445.654 5.557 50 0 IKAARN CCOc1ccc(-c2nn(C3c4ccccc4Oc4ccccc43)c(=S)n2CC)cc1 ZINC000012413654 520822995 /nfs/dbraw/zinc/82/29/95/520822995.db2.gz HODQMGYCRCUIAV-UHFFFAOYSA-N 0 0 429.545 6.243 50 0 IKAARN CCOc1ccc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4)n3CC)n2)cc1 ZINC000021168954 520826892 /nfs/dbraw/zinc/82/68/92/520826892.db2.gz ISUMQALQKKOHBM-UHFFFAOYSA-N 0 0 441.944 5.359 50 0 IKAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2cccc(F)c2)cc1 ZINC000017315099 520830602 /nfs/dbraw/zinc/83/06/02/520830602.db2.gz AANYHVITZPVDIJ-UHFFFAOYSA-N 0 0 445.519 5.697 50 0 IKAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)c2nc(C(C)C)no2)cc1 ZINC000012536855 520834018 /nfs/dbraw/zinc/83/40/18/520834018.db2.gz XEWMSXAZSWFXIR-QGZVFWFLSA-N 0 0 449.580 5.617 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000012542170 520837329 /nfs/dbraw/zinc/83/73/29/520837329.db2.gz YNDYUKFUZSEFRK-IBGZPJMESA-N 0 0 449.620 5.912 50 0 IKAARN C=C1C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020465850 520840892 /nfs/dbraw/zinc/84/08/92/520840892.db2.gz JYAAUZRTTZMRKP-SELVFMLMSA-N 0 0 426.626 5.477 50 0 IKAARN CCCCOc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1Cl ZINC000035673096 520846569 /nfs/dbraw/zinc/84/65/69/520846569.db2.gz BLAABAWXCPFBBT-UHFFFAOYSA-N 0 0 447.362 6.333 50 0 IKAARN CCCCOc1ccc(-c2csc(-c3nc(-c4ccc(CC)cc4)c(C)s3)n2)cc1 ZINC000020849945 520850196 /nfs/dbraw/zinc/85/01/96/520850196.db2.gz ONNGFAVKFBQBRV-UHFFFAOYSA-N 0 0 434.630 7.650 50 0 IKAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Cl)C2=O)cc1OCC ZINC000035239343 520851793 /nfs/dbraw/zinc/85/17/93/520851793.db2.gz BGVSSWKYUNLQQT-UNOMPAQXSA-N 0 0 432.929 5.243 50 0 IKAARN CCOc1ccc(/N=c2\cc(-c3ccc(OCC)cc3)cc(OC)c3c(C)oc(C)c32)cc1 ZINC000012862765 520861413 /nfs/dbraw/zinc/86/14/13/520861413.db2.gz RGLNKSHJLWAABL-XLVZBRSZSA-N 0 0 443.543 6.755 50 0 biogenic IKAARN CCCCOc1ccc(C(=O)NC[C@@H](Cc2ccccc2)c2ccc(OC)c(OC)c2)cc1 ZINC000012410714 520869034 /nfs/dbraw/zinc/86/90/34/520869034.db2.gz QEDQQQNPVPACDE-XMMPIXPASA-N 0 0 447.575 5.639 50 0 IKAARN CCN(CC)c1cc(-c2ccccc2)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000036038603 520876870 /nfs/dbraw/zinc/87/68/70/520876870.db2.gz WTBKHKLZUHMAEE-UHFFFAOYSA-N 0 0 448.636 5.668 50 0 IKAARN CCOC(=O)C[C@H](NC(=O)Nc1c2cc(F)ccc2[nH]c1-c1ccncc1)c1ccccc1 ZINC000033280002 520886392 /nfs/dbraw/zinc/88/63/92/520886392.db2.gz BXWMBPGEFIRPMS-NRFANRHFSA-N 0 0 446.482 5.185 50 0 IKAARN CCCCOc1ccc([C@@H](C)NC(=O)CCN2N=C(c3ccc(CC)cc3)CCC2=O)cc1 ZINC000020733646 520892487 /nfs/dbraw/zinc/89/24/87/520892487.db2.gz GWHNPAHVICGCLF-HXUWFJFHSA-N 0 0 449.595 5.022 50 0 IKAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O ZINC000021936152 520894174 /nfs/dbraw/zinc/89/41/74/520894174.db2.gz VUHSNAVHHDKHNF-VQTJNVASSA-N 0 0 448.592 5.213 50 0 IKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157833 520894545 /nfs/dbraw/zinc/89/45/45/520894545.db2.gz MAHBWUVYCWQSOP-SFHVURJKSA-N 0 0 441.980 6.730 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012192298 520894684 /nfs/dbraw/zinc/89/46/84/520894684.db2.gz PGRMMXIICDRNCJ-VPUSJEBWSA-N 0 0 428.532 6.116 50 0 IKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020464208 520895088 /nfs/dbraw/zinc/89/50/88/520895088.db2.gz NTFZAGSSBIGQBY-SFHVURJKSA-N 0 0 432.549 5.443 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000009310903 520898418 /nfs/dbraw/zinc/89/84/18/520898418.db2.gz PGRMMXIICDRNCJ-AHKZPQOWSA-N 0 0 428.532 6.116 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000012195818 520929227 /nfs/dbraw/zinc/92/92/27/520929227.db2.gz FBNCKCALIKJOOQ-LADGPHEKSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000012196645 520929400 /nfs/dbraw/zinc/92/94/00/520929400.db2.gz UHWXIHJLBMOMJH-JYFHCDHNSA-N 0 0 446.572 6.058 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012195839 520929504 /nfs/dbraw/zinc/92/95/04/520929504.db2.gz PHNVJAWZPXECER-UKILVPOCSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccccc2Cl)cc1 ZINC000020738389 520930252 /nfs/dbraw/zinc/93/02/52/520930252.db2.gz KMDUMDDOSHVINV-JYFHCDHNSA-N 0 0 448.950 6.380 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000245241828 520930429 /nfs/dbraw/zinc/93/04/29/520930429.db2.gz QLYJDPXFWFSPMG-BDYUSTAISA-N 0 0 446.978 7.104 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000012195822 520930625 /nfs/dbraw/zinc/93/06/25/520930625.db2.gz FBNCKCALIKJOOQ-ISKFKSNPSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(O)c1 ZINC000012587747 520932428 /nfs/dbraw/zinc/93/24/28/520932428.db2.gz IXQIINIDLBMHEC-UHFFFAOYSA-N 0 0 430.554 6.599 50 0 IKAARN CC1CCC(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)CC1 ZINC000021809848 520940320 /nfs/dbraw/zinc/94/03/20/520940320.db2.gz WQQIGBSTXBMMPH-HGEUABKPSA-N 0 0 441.641 5.335 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1OCC ZINC000020986091 520952818 /nfs/dbraw/zinc/95/28/18/520952818.db2.gz HXLUXLGGBZQIIA-UHFFFAOYSA-N 0 0 434.561 5.462 50 0 IKAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2C2CCCCCC2)CC1 ZINC000021808685 520953566 /nfs/dbraw/zinc/95/35/66/520953566.db2.gz VVPYNSCHAXMQEL-KRFIBBNCSA-N 0 0 441.641 5.335 50 0 IKAARN CCCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734565 520955980 /nfs/dbraw/zinc/95/59/80/520955980.db2.gz ZRQXYJOBHWFJQI-RCCKNPSSSA-N 0 0 444.597 5.564 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1C)N(C(=O)CC)c1ccccc1-2 ZINC000032997088 520979835 /nfs/dbraw/zinc/97/98/35/520979835.db2.gz PKSFBPAYYWKKRN-XMMPIXPASA-N 0 0 448.592 5.882 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997103 520980264 /nfs/dbraw/zinc/98/02/64/520980264.db2.gz ZPNJXCHFVOQHNA-QHCPKHFHSA-N 0 0 434.565 5.573 50 0 IKAARN CCOc1ccc(CNC(=O)CCc2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000015678442 520984578 /nfs/dbraw/zinc/98/45/78/520984578.db2.gz IRTWHPPTZRSPBK-UHFFFAOYSA-N 0 0 426.560 5.646 50 0 IKAARN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cccs3)on2)CC1 ZINC000020900630 520992218 /nfs/dbraw/zinc/99/22/18/520992218.db2.gz VOJSZGBPMZOSOT-UHFFFAOYSA-N 0 0 435.505 5.274 50 0 IKAARN CCC[C@H](C)C(=O)N1CCN(C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022636654 520994200 /nfs/dbraw/zinc/99/42/00/520994200.db2.gz SXASOMFRQLLCIY-SQJMNOBHSA-N 0 0 443.031 5.487 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)cc1 ZINC000020864212 520996469 /nfs/dbraw/zinc/99/64/69/520996469.db2.gz JUAIJFHRFABPMJ-UHFFFAOYSA-N 0 0 435.524 5.128 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)cc1OC ZINC000033036721 520996525 /nfs/dbraw/zinc/99/65/25/520996525.db2.gz HGEYEYNUIURAIO-UHFFFAOYSA-N 0 0 426.516 5.548 50 0 IKAARN CCOc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(CC)cc3)n2)cc1 ZINC000035430089 520999610 /nfs/dbraw/zinc/99/96/10/520999610.db2.gz YNPVBZCFFKRQSD-UHFFFAOYSA-N 0 0 426.520 5.265 50 0 IKAARN CCOc1ccc(CNc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1 ZINC000035560870 521010859 /nfs/dbraw/zinc/01/08/59/521010859.db2.gz OSHHFWMSFMMCGR-UHFFFAOYSA-N 0 0 441.466 5.497 50 0 IKAARN CCOc1ccc(CNc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000035560926 521011920 /nfs/dbraw/zinc/01/19/20/521011920.db2.gz OPKTWLBBKFCBCP-UHFFFAOYSA-N 0 0 437.503 5.666 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927491 521020644 /nfs/dbraw/zinc/02/06/44/521020644.db2.gz ZFCMMLHFWVPJAI-NIYFSFCBSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F ZINC000035928236 521021910 /nfs/dbraw/zinc/02/19/10/521021910.db2.gz KBAJJVFMRZYNRH-CMJOXMDJSA-N 0 0 432.536 5.898 50 0 IKAARN CCN(CCC[NH2+]Cc1c(C)n(-c2ccc(C)cc2)c(C)c1C(=O)[O-])c1cccc(C)c1 ZINC000021025434 521023207 /nfs/dbraw/zinc/02/32/07/521023207.db2.gz OLCMDWAFLSSSSS-UHFFFAOYSA-N 0 0 433.596 5.415 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(CC)cc3)c2)cc1 ZINC000035912166 521034240 /nfs/dbraw/zinc/03/42/40/521034240.db2.gz ORKYQVCBDZXFQJ-AREMUKBSSA-N 0 0 446.572 5.679 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000035912093 521034341 /nfs/dbraw/zinc/03/43/41/521034341.db2.gz QNHIJJDLTQMGOS-RUZDIDTESA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccc(C)cc2)cc1 ZINC000035912110 521036095 /nfs/dbraw/zinc/03/60/95/521036095.db2.gz WZXNJXSACZHVEN-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccccc2C)cc1 ZINC000035912112 521036109 /nfs/dbraw/zinc/03/61/09/521036109.db2.gz QDXMEFAMWRSBHC-VWLOTQADSA-N 0 0 432.545 5.425 50 0 IKAARN CCCC[C@@H](CC)COP(=O)(OC[C@@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000012358603 521036980 /nfs/dbraw/zinc/03/69/80/521036980.db2.gz GTVWRXDRKAHEAD-KMDXXIMOSA-N 0 0 434.642 8.794 50 0 IKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000012411863 521039706 /nfs/dbraw/zinc/03/97/06/521039706.db2.gz AYDHDEICWWFEHF-DEOSSOPVSA-N 0 0 429.907 5.879 50 0 IKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000012411852 521040017 /nfs/dbraw/zinc/04/00/17/521040017.db2.gz FBUQIMWVPMWSDM-VWLOTQADSA-N 0 0 443.478 5.373 50 0 IKAARN CC1CCN(c2ccc(NC(=O)COc3ccccc3C(=O)Nc3ccccc3)cc2)CC1 ZINC000012524865 521044112 /nfs/dbraw/zinc/04/41/12/521044112.db2.gz DZZCDFYJTBPJSE-UHFFFAOYSA-N 0 0 443.547 5.193 50 0 IKAARN CC1CCN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)cc2)CC1 ZINC000035447448 521044296 /nfs/dbraw/zinc/04/42/96/521044296.db2.gz QPHWLMJAZWUHHM-HXUWFJFHSA-N 0 0 439.987 5.067 50 0 IKAARN CC1CCN(c2nc3nn(-c4ccccc4Cl)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035929961 521047923 /nfs/dbraw/zinc/04/79/23/521047923.db2.gz SRKHNFQSTAPNKL-UHFFFAOYSA-N 0 0 436.922 5.094 50 0 IKAARN CC1CCN(c2oc(-c3cccc(Cl)c3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012417812 521050970 /nfs/dbraw/zinc/05/09/70/521050970.db2.gz DJOJGXFDITWBJG-UHFFFAOYSA-N 0 0 434.920 5.203 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000012565716 521066997 /nfs/dbraw/zinc/06/69/97/521066997.db2.gz WAGMVISSRRWAMH-UHFFFAOYSA-N 0 0 431.561 5.409 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc([C@@H]3C[C@H]3c3ccc(C)cc3)n2CC)cc1 ZINC000017100668 521069614 /nfs/dbraw/zinc/06/96/14/521069614.db2.gz RHUGGTJYJPLZHO-LEWJYISDSA-N 0 0 436.581 5.007 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)N4CCCCC4)c3)C2)cc1 ZINC000033035206 521085646 /nfs/dbraw/zinc/08/56/46/521085646.db2.gz CPQPNDZDBIIYEC-QFIPXVFZSA-N 0 0 435.568 5.123 50 0 IKAARN CCC(=O)N(Cc1cc2ccc(Cl)cc2nc1-c1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000012247582 521088648 /nfs/dbraw/zinc/08/86/48/521088648.db2.gz WSNJMQWWYFLMEV-QFIPXVFZSA-N 0 0 438.955 5.481 50 0 IKAARN CCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000035970463 521088678 /nfs/dbraw/zinc/08/86/78/521088678.db2.gz YTJAODWPMKGGPW-UHFFFAOYSA-N 0 0 425.960 6.021 50 0 IKAARN CCC(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000035944053 521089062 /nfs/dbraw/zinc/08/90/62/521089062.db2.gz XDNFIAHFOXUTQM-SFHVURJKSA-N 0 0 435.593 5.566 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(OC)cc1 ZINC000001866963 521089210 /nfs/dbraw/zinc/08/92/10/521089210.db2.gz IFZXLUFTXQBRSN-MUUNZHRXSA-N 0 0 445.603 6.443 50 0 biogenic IKAARN CCC(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000035944054 521089247 /nfs/dbraw/zinc/08/92/47/521089247.db2.gz XDNFIAHFOXUTQM-GOSISDBHSA-N 0 0 435.593 5.566 50 0 IKAARN CCC(=O)N(CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000035975509 521089552 /nfs/dbraw/zinc/08/95/52/521089552.db2.gz IBZHJGXZUNRTFV-UHFFFAOYSA-N 0 0 445.922 5.151 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1 ZINC000021891308 521091099 /nfs/dbraw/zinc/09/10/99/521091099.db2.gz YAUOOCMIUSKFSP-DEOSSOPVSA-N 0 0 429.545 6.075 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1 ZINC000021894203 521091283 /nfs/dbraw/zinc/09/12/83/521091283.db2.gz HJCKKHFULJRUDS-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(C)cc4)cc(OCC)c3c2)cc1 ZINC000033278513 521097460 /nfs/dbraw/zinc/09/74/60/521097460.db2.gz PVCXIXPYIVQXKT-UHFFFAOYSA-N 0 0 441.531 6.652 50 0 IKAARN CCOc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1 ZINC000033009435 521097704 /nfs/dbraw/zinc/09/77/04/521097704.db2.gz DDLIMMKDCXNUPM-UHFFFAOYSA-N 0 0 444.535 5.582 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000021795546 521098644 /nfs/dbraw/zinc/09/86/44/521098644.db2.gz TYLOUWWSRXRBDN-UHFFFAOYSA-N 0 0 446.555 5.562 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3Cl)s2)cc1 ZINC000017057187 521100343 /nfs/dbraw/zinc/10/03/43/521100343.db2.gz GOEADSVUKNVXPT-UHFFFAOYSA-N 0 0 434.974 5.668 50 0 IKAARN CCOc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000021915099 521111980 /nfs/dbraw/zinc/11/19/80/521111980.db2.gz ODGLHGUMODGWCF-UHFFFAOYSA-N 0 0 429.520 5.174 50 0 IKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000021787019 521112960 /nfs/dbraw/zinc/11/29/60/521112960.db2.gz XNFALVRJRGWXBK-OAQYLSRUSA-N 0 0 425.960 5.622 50 0 IKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000021787286 521113704 /nfs/dbraw/zinc/11/37/04/521113704.db2.gz XTRBLJYCPPWOPH-JOCHJYFZSA-N 0 0 425.960 5.541 50 0 IKAARN CCOc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cc1 ZINC000020606892 521114455 /nfs/dbraw/zinc/11/44/55/521114455.db2.gz OCAVNMWXGAOQQD-UHFFFAOYSA-N 0 0 431.439 5.757 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000021915973 521116769 /nfs/dbraw/zinc/11/67/69/521116769.db2.gz JQEZETTTYYCJBZ-UHFFFAOYSA-N 0 0 429.520 5.712 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033261205 521116981 /nfs/dbraw/zinc/11/69/81/521116981.db2.gz QLXXSGBKCYRXCI-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN CCOc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025168 521117091 /nfs/dbraw/zinc/11/70/91/521117091.db2.gz FFQLPQZTLQGPHG-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN CCOc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)Cc2ccccc2)cc1 ZINC000020731740 521123513 /nfs/dbraw/zinc/12/35/13/521123513.db2.gz LWZGGZXUBJZJDB-UHFFFAOYSA-N 0 0 429.589 5.976 50 0 IKAARN CCOc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1 ZINC000021659498 521126354 /nfs/dbraw/zinc/12/63/54/521126354.db2.gz COFLGWMECJSFDJ-UHFFFAOYSA-N 0 0 438.531 5.568 50 0 IKAARN CCC[C@H](NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccccc1 ZINC000012764076 521130518 /nfs/dbraw/zinc/13/05/18/521130518.db2.gz XSMIMPIAGOJMEZ-FQEVSTJZSA-N 0 0 431.561 5.091 50 0 IKAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC ZINC000012588474 521132820 /nfs/dbraw/zinc/13/28/20/521132820.db2.gz NYXYORDOYYMGDT-LBPRGKRZSA-N 0 0 430.854 5.595 50 0 IKAARN CCOc1ccc(Nc2nc(-c3nnc(-c4ccc(Cl)cc4)o3)nc3ccccc32)cc1 ZINC000035446403 521141487 /nfs/dbraw/zinc/14/14/87/521141487.db2.gz NHNLAMQAGULUIS-UHFFFAOYSA-N 0 0 443.894 6.143 50 0 IKAARN CCOc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308006 521141548 /nfs/dbraw/zinc/14/15/48/521141548.db2.gz YUAWNCZXXAEFDJ-GOSISDBHSA-N 0 0 428.540 5.194 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910446 521162126 /nfs/dbraw/zinc/16/21/26/521162126.db2.gz JXWBTCRJUYPZBM-AFMDSPMNSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000035928431 521162645 /nfs/dbraw/zinc/16/26/45/521162645.db2.gz VYZRWOYUFOWNJC-BVZFJXPGSA-N 0 0 439.625 5.686 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000035927374 521163136 /nfs/dbraw/zinc/16/31/36/521163136.db2.gz DKFGDJMICCOZDF-UPCLLVRISA-N 0 0 440.565 5.349 50 0 IKAARN CCOc1ccc(OCC)c(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000021538405 521171990 /nfs/dbraw/zinc/17/19/90/521171990.db2.gz ZWKUKUQBTFSGIK-HSZRJFAPSA-N 0 0 433.483 5.875 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000012806463 521182436 /nfs/dbraw/zinc/18/24/36/521182436.db2.gz NUPVNUVMJNTNCU-RUZDIDTESA-N 0 0 442.515 5.780 50 0 IKAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000014979198 521182717 /nfs/dbraw/zinc/18/27/17/521182717.db2.gz OHRJDTRHYGERON-JOCHJYFZSA-N 0 0 434.458 5.125 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)c2cccc(C)c2)c1 ZINC000035947437 521206076 /nfs/dbraw/zinc/20/60/76/521206076.db2.gz WRFOGPGNYUWHSW-UHFFFAOYSA-N 0 0 447.554 5.391 50 0 IKAARN CCOc1ccc([C@@H](CNC(=O)c2ccccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000021789264 521228931 /nfs/dbraw/zinc/22/89/31/521228931.db2.gz RKOJCXHLHAYDEM-JOCHJYFZSA-N 0 0 428.532 5.446 50 0 IKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OCC)cc3s2)cc1 ZINC000033271692 521241220 /nfs/dbraw/zinc/24/12/20/521241220.db2.gz ISUYDKDFOCFMDM-SFHVURJKSA-N 0 0 448.548 5.062 50 0 IKAARN CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000012528918 521245384 /nfs/dbraw/zinc/24/53/84/521245384.db2.gz POQMNLJGLXZCBQ-RUZDIDTESA-N 0 0 442.515 5.045 50 0 IKAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012196514 521246281 /nfs/dbraw/zinc/24/62/81/521246281.db2.gz QNRORTJHDPKVDY-OZXSUGGESA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012196524 521246454 /nfs/dbraw/zinc/24/64/54/521246454.db2.gz QNRORTJHDPKVDY-BVAGGSTKSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1OC ZINC000020892448 521249057 /nfs/dbraw/zinc/24/90/57/521249057.db2.gz KMSJDPYCPDFSGS-NRFANRHFSA-N 0 0 443.956 5.016 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021889169 521250300 /nfs/dbraw/zinc/25/03/00/521250300.db2.gz XRQDTFINXDWTDS-AREMUKBSSA-N 0 0 441.506 6.152 50 0 IKAARN CCOc1ccc([C@@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868332 521251265 /nfs/dbraw/zinc/25/12/65/521251265.db2.gz JMHDKOKBJNUEFO-RPBOFIJWSA-N 0 0 432.004 5.088 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195614 521273192 /nfs/dbraw/zinc/27/31/92/521273192.db2.gz ZGCRFNMTSNYNAW-UKILVPOCSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021889200 521276969 /nfs/dbraw/zinc/27/69/69/521276969.db2.gz IFNDIOOBAXHESK-SANMLTNESA-N 0 0 441.506 6.152 50 0 IKAARN CCOc1ccc([C@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868335 521277222 /nfs/dbraw/zinc/27/72/22/521277222.db2.gz JMHDKOKBJNUEFO-JWQCQUIFSA-N 0 0 432.004 5.088 50 0 IKAARN CCOc1ccc([C@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447043 521277741 /nfs/dbraw/zinc/27/77/41/521277741.db2.gz CMGZZHHJWZJKQF-IZZNHLLZSA-N 0 0 446.031 5.479 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1 ZINC000032995682 521283928 /nfs/dbraw/zinc/28/39/28/521283928.db2.gz JZDZVKSWIMDSAX-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN CCOc1ccc2c(c1)[C@@H](SCC(=O)N1C[C@H](C)C[C@H](C)C1)CC1(CCCCC1)O2 ZINC000020280062 521291590 /nfs/dbraw/zinc/29/15/90/521291590.db2.gz FHSMBDPSZGZCQW-YYDVJCTNSA-N 0 0 431.642 5.850 50 0 IKAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000035981264 521293011 /nfs/dbraw/zinc/29/30/11/521293011.db2.gz MVOFXJDUBZFADO-KRWDZBQOSA-N 0 0 445.991 5.188 50 0 IKAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2C(C)C)C1 ZINC000036017246 521293043 /nfs/dbraw/zinc/29/30/43/521293043.db2.gz VBSGEBBCVCYOPM-KRWDZBQOSA-N 0 0 445.991 5.188 50 0 IKAARN CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)CC)C3 ZINC000015946162 521296466 /nfs/dbraw/zinc/29/64/66/521296466.db2.gz RBTXLRLOHAHMCJ-MZNJEOGPSA-N 0 0 448.632 7.270 50 0 IKAARN CCOc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1 ZINC000085380840 521296653 /nfs/dbraw/zinc/29/66/53/521296653.db2.gz PBNABOWAIKMHQX-UHFFFAOYSA-N 0 0 440.528 6.038 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(C)sc3C)sc2c1 ZINC000021661256 521297722 /nfs/dbraw/zinc/29/77/22/521297722.db2.gz GRBIDWOMKIKPMH-MRXNPFEDSA-N 0 0 438.578 5.342 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)c(C)c3)sc2c1 ZINC000033271745 521298301 /nfs/dbraw/zinc/29/83/01/521298301.db2.gz GMPPFMKFTLSICB-SFHVURJKSA-N 0 0 432.549 5.280 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cc4c(s3)c3ccccc3nc4Cl)sc2c1 ZINC000020286197 521305106 /nfs/dbraw/zinc/30/51/06/521305106.db2.gz YVCFVONYMYVCIC-UHFFFAOYSA-N 0 0 439.949 6.364 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2c1 ZINC000012378200 521305314 /nfs/dbraw/zinc/30/53/14/521305314.db2.gz MBGJEEGIOLWKJP-UHFFFAOYSA-N 0 0 437.571 6.286 50 0 IKAARN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)nc2c1 ZINC000012484045 521307505 /nfs/dbraw/zinc/30/75/05/521307505.db2.gz SAEVUVYKTZRBIT-VIFPVBQESA-N 0 0 444.771 6.041 50 0 IKAARN CCOc1ccc2oc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)c(C)c2c1 ZINC000012931022 521310528 /nfs/dbraw/zinc/31/05/28/521310528.db2.gz ANENXJDUDUUTPU-UHFFFAOYSA-N 0 0 444.318 5.944 50 0 IKAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(C)cc4)CC2)n1)CCCC3 ZINC000035864961 521314358 /nfs/dbraw/zinc/31/43/58/521314358.db2.gz GFDPHSRSTKFFTR-UHFFFAOYSA-N 0 0 448.636 5.184 50 0 IKAARN CCCCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)n1 ZINC000012909272 521340564 /nfs/dbraw/zinc/34/05/64/521340564.db2.gz HJBHHEUNMPPYIM-UHFFFAOYSA-N 0 0 429.933 5.258 50 0 IKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)c(C)c1)CO3 ZINC000011866647 521348209 /nfs/dbraw/zinc/34/82/09/521348209.db2.gz PCPQPQZMNVKAPF-UHFFFAOYSA-N 0 0 428.326 5.481 50 0 IKAARN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2c(C)cccc2C)c1=S ZINC000012904817 521353245 /nfs/dbraw/zinc/35/32/45/521353245.db2.gz QGCACMINGOPVMR-UHFFFAOYSA-N 0 0 443.016 6.180 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2ccc(C)cc2)c1C ZINC000036000974 521359407 /nfs/dbraw/zinc/35/94/07/521359407.db2.gz NGAHSGUYXDSIIV-UHFFFAOYSA-N 0 0 438.568 5.022 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000021982413 521360288 /nfs/dbraw/zinc/36/02/88/521360288.db2.gz OKFRSHKZCKUGHG-UHFFFAOYSA-N 0 0 426.929 5.192 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC)cc3)c2C(N)=O)C1 ZINC000035131368 521363888 /nfs/dbraw/zinc/36/38/88/521363888.db2.gz VRJGVWYXHNXJON-LPDYGMJQSA-N 0 0 426.582 5.049 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cc(C)ccc2OC)C2CCCCC2)c1C ZINC000035447896 521366417 /nfs/dbraw/zinc/36/64/17/521366417.db2.gz ZBEOWQUUOXZIEL-UHFFFAOYSA-N 0 0 441.572 5.492 50 0 IKAARN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)c(C(C)(C)CC)c1 ZINC000012568268 521370578 /nfs/dbraw/zinc/37/05/78/521370578.db2.gz ZESIBZZZZQAKKN-UHFFFAOYSA-N 0 0 439.596 6.588 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000016753978 521370505 /nfs/dbraw/zinc/37/05/05/521370505.db2.gz PMAMVDHIJWOXCC-UHFFFAOYSA-N 0 0 433.485 5.259 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012578180 521371501 /nfs/dbraw/zinc/37/15/01/521371501.db2.gz SXYOJORKRCWKJP-UHFFFAOYSA-N 0 0 443.996 6.400 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1ccc(C)cc1 ZINC000012682422 521372313 /nfs/dbraw/zinc/37/23/13/521372313.db2.gz INSBLNDUFHWHOE-UHFFFAOYSA-N 0 0 428.941 5.604 50 0 IKAARN CCN(Cc1ccccc1)c1nc2c(-c3cccc(C)c3)nnn2c2ccc(Cl)cc21 ZINC000020859726 521376971 /nfs/dbraw/zinc/37/69/71/521376971.db2.gz LMBCMORFYROBCM-UHFFFAOYSA-N 0 0 427.939 5.933 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2cccc(OC)c2)c1C ZINC000032974499 521383560 /nfs/dbraw/zinc/38/35/60/521383560.db2.gz WEBUEGZDOQRKEV-UHFFFAOYSA-N 0 0 435.524 5.051 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)n2ncnc2n1 ZINC000033122209 521386278 /nfs/dbraw/zinc/38/62/78/521386278.db2.gz BDDVPSGBBFGONI-UHFFFAOYSA-N 0 0 436.516 5.320 50 0 IKAARN CCCc1ccc(-c2csc(NC(=O)c3cn(CC)c4nc(C)ccc4c3=O)n2)cc1 ZINC000002646084 521387284 /nfs/dbraw/zinc/38/72/84/521387284.db2.gz DESXTYWJLJOJTE-UHFFFAOYSA-N 0 0 432.549 5.053 50 0 IKAARN CCCc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)cc1 ZINC000017099061 521394245 /nfs/dbraw/zinc/39/42/45/521394245.db2.gz HQWWGPBNVYAHCJ-UHFFFAOYSA-N 0 0 434.561 5.703 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc21 ZINC000012598861 521394323 /nfs/dbraw/zinc/39/43/23/521394323.db2.gz DIFZYFLQPCPZAO-UHFFFAOYSA-N 0 0 442.515 5.442 50 0 IKAARN CCCc1ccc(OCCn2c(C)c(C(=O)OCC)c3cc(O)c4ccccc4c32)cc1 ZINC000012411463 521403753 /nfs/dbraw/zinc/40/37/53/521403753.db2.gz UXIGENDQYKDEMD-UHFFFAOYSA-N 0 0 431.532 6.017 50 0 biogenic,in-vitro IKAARN CCOC(=O)c1c(C[S@](=O)Cc2ccc(Cl)cc2)oc2c1c(F)c(F)c(F)c2F ZINC000012369030 521406810 /nfs/dbraw/zinc/40/68/10/521406810.db2.gz KKGZHSAMQSXWQL-LJAQVGFWSA-N 0 0 448.821 5.268 50 0 IKAARN CCOC(=O)c1c(NC(=O)N2C[C@@H](CC)Sc3ccccc32)sc2c1CCCC2 ZINC000020531975 521410855 /nfs/dbraw/zinc/41/08/55/521410855.db2.gz PGMFDZRBBWWHCA-CQSZACIVSA-N 0 0 430.595 5.726 50 0 IKAARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=S)NC3=O)c1C)CCCC2 ZINC000017162922 521414908 /nfs/dbraw/zinc/41/49/08/521414908.db2.gz RSLLSIIKDVVSHF-MHWRWJLKSA-N 0 0 446.619 5.540 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CCCCC(=O)OC)C[C@H](C(C)(C)CC)CC2 ZINC000022345060 521414958 /nfs/dbraw/zinc/41/49/58/521414958.db2.gz YBOWIMLROPUVQH-OAHLLOKOSA-N 0 0 437.602 5.138 50 0 IKAARN CCCc1ccc([C@@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cccs2)cc1 ZINC000012883465 521415773 /nfs/dbraw/zinc/41/57/73/521415773.db2.gz WYNTYPRVEMVPSK-LADGPHEKSA-N 0 0 448.588 5.338 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)c1 ZINC000021715728 521418089 /nfs/dbraw/zinc/41/80/89/521418089.db2.gz PIFYIHDTSPUHLV-AREMUKBSSA-N 0 0 440.499 5.083 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(OC)cc2)c1 ZINC000021715734 521418659 /nfs/dbraw/zinc/41/86/59/521418659.db2.gz ZDQMNLBFIRUBDK-AREMUKBSSA-N 0 0 426.516 5.363 50 0 IKAARN CCCc1ccc([C@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c2cccs2)cc1 ZINC000012883490 521418940 /nfs/dbraw/zinc/41/89/40/521418940.db2.gz WYNTYPRVEMVPSK-VWNXMTODSA-N 0 0 448.588 5.338 50 0 IKAARN CCOC(=O)c1c2ccc(C)c(OCc3cccc(OC)c3)c2sc1NC(=O)CC ZINC000033113582 521420911 /nfs/dbraw/zinc/42/09/11/521420911.db2.gz DLUWGHVNZJMMCA-UHFFFAOYSA-N 0 0 427.522 5.323 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ccccc2OCC)c1C ZINC000020356146 521422076 /nfs/dbraw/zinc/42/20/76/521422076.db2.gz KAMAOIKJWWFSCP-UHFFFAOYSA-N 0 0 434.536 5.376 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N[C@@H](C)C(C)(C)C)cc2)n1 ZINC000023432488 521422119 /nfs/dbraw/zinc/42/21/19/521422119.db2.gz SFPOBNYOAISCMJ-SFHVURJKSA-N 0 0 447.579 5.443 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3ccccc3)c2)n(-c2ccc(F)cc2)n1 ZINC000034915859 521424385 /nfs/dbraw/zinc/42/43/85/521424385.db2.gz ODGKBCPFXSZIMS-UHFFFAOYSA-N 0 0 443.478 5.036 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2cccc(F)c2)n1 ZINC000023461636 521425238 /nfs/dbraw/zinc/42/52/38/521425238.db2.gz YGEDFJQCTXXWFJ-UHFFFAOYSA-N 0 0 429.451 5.107 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(N(C)C)c2)c1 ZINC000021715702 521426533 /nfs/dbraw/zinc/42/65/33/521426533.db2.gz QTMNMKXZVXLMGF-MHZLTWQESA-N 0 0 439.559 5.421 50 0 IKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3ccccc3[nH]2)c1 ZINC000035448290 521426819 /nfs/dbraw/zinc/42/68/19/521426819.db2.gz DAOVAIMGDCYKIN-MHZLTWQESA-N 0 0 435.527 5.836 50 0 IKAARN CCOC(=O)c1cc(C(C)C)n(-c2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2)n1 ZINC000022654963 521428219 /nfs/dbraw/zinc/42/82/19/521428219.db2.gz DHCDBDGDIWNADF-UHFFFAOYSA-N 0 0 441.616 5.707 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000016758726 521432111 /nfs/dbraw/zinc/43/21/11/521432111.db2.gz MBZXLXOYLLQWOG-WIOPSUGQSA-N 0 0 436.458 5.614 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000035927413 521433085 /nfs/dbraw/zinc/43/30/85/521433085.db2.gz RVUOEUPQSMJHFT-SANMLTNESA-N 0 0 430.573 5.978 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)Cc2cccs2)c1 ZINC000035927421 521433296 /nfs/dbraw/zinc/43/32/96/521433296.db2.gz OHBJUHMYYLMDNU-DEOSSOPVSA-N 0 0 436.602 5.660 50 0 IKAARN CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1cccc(Cl)c1 ZINC000035908470 521433913 /nfs/dbraw/zinc/43/39/13/521433913.db2.gz DBCQEXOMSRTETO-UHFFFAOYSA-N 0 0 433.939 5.109 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000012195672 521434716 /nfs/dbraw/zinc/43/47/16/521434716.db2.gz COEVEHAWLCVMMA-RCZVLFRGSA-N 0 0 434.923 5.990 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCc1ccc(F)cc1 ZINC000017096017 521435126 /nfs/dbraw/zinc/43/51/26/521435126.db2.gz XTYHUVPMGUOJPN-UHFFFAOYSA-N 0 0 428.554 5.141 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000020738417 521435327 /nfs/dbraw/zinc/43/53/27/521435327.db2.gz APSGEZZRVQENKU-WIOPSUGQSA-N 0 0 434.923 5.990 50 0 IKAARN CCOc1ccccc1-c1noc(-c2cnn3c2nc(C)c(Cc2ccccc2C)c3C)n1 ZINC000021657693 521444618 /nfs/dbraw/zinc/44/46/18/521444618.db2.gz ACAARDBHVDWIJG-UHFFFAOYSA-N 0 0 439.519 5.361 50 0 IKAARN CCOc1ccccc1-n1c2nc(-c3ccco3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604178 521446498 /nfs/dbraw/zinc/44/64/98/521446498.db2.gz CENQVEUQIZCSEA-UHFFFAOYSA-N 0 0 433.411 5.121 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccc(C(=O)OC)cc1 ZINC000023438684 521447461 /nfs/dbraw/zinc/44/74/61/521447461.db2.gz CGBAAYHKIHWDIG-HNNXBMFYSA-N 0 0 437.517 5.116 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000035944320 521483150 /nfs/dbraw/zinc/48/31/50/521483150.db2.gz DXXINPOFFZHPMF-FQEVSTJZSA-N 0 0 449.639 6.017 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C2CC2)ccc1N(C)C ZINC000035946185 521485683 /nfs/dbraw/zinc/48/56/83/521485683.db2.gz AMGZNEQVGNOEFO-UHFFFAOYSA-N 0 0 439.575 5.205 50 0 IKAARN CCC(CC)C(=O)N(Cc1ccccc1)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000035944664 521485816 /nfs/dbraw/zinc/48/58/16/521485816.db2.gz YYVYVFPMUXPBBT-UHFFFAOYSA-N 0 0 449.639 5.846 50 0 IKAARN CCC(CC)C(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)C(C)C)ccc1N(C)C ZINC000035947426 521486101 /nfs/dbraw/zinc/48/61/01/521486101.db2.gz OXGYNDWKMAJHCH-UHFFFAOYSA-N 0 0 441.591 5.451 50 0 IKAARN CCC(CC)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022640504 521491660 /nfs/dbraw/zinc/49/16/60/521491660.db2.gz DTBXJAUBSZACAI-QFIPXVFZSA-N 0 0 429.402 5.119 50 0 IKAARN CCN(c1cccc(C)c1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020441832 521495164 /nfs/dbraw/zinc/49/51/64/521495164.db2.gz BZJCITZUJZLGNA-QHCPKHFHSA-N 0 0 428.985 5.195 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1 ZINC000012600315 521498056 /nfs/dbraw/zinc/49/80/56/521498056.db2.gz YEWRYVZILKFLSR-UHFFFAOYSA-N 0 0 449.016 5.398 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032984009 521499855 /nfs/dbraw/zinc/49/98/55/521499855.db2.gz CBGQLIWGWOEAME-QRVIBDJDSA-N 0 0 448.906 5.041 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 ZINC000033000539 521503255 /nfs/dbraw/zinc/50/32/55/521503255.db2.gz MJZNAHXRMBWNSP-UHFFFAOYSA-N 0 0 431.558 5.541 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3c(CC)c(C)sc3[C@H]2c2ccccc2)cc1 ZINC000021048019 521504695 /nfs/dbraw/zinc/50/46/95/521504695.db2.gz OPIUWDFKDCRWJD-HSZRJFAPSA-N 0 0 448.588 5.975 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711627 521506107 /nfs/dbraw/zinc/50/61/07/521506107.db2.gz RZFRERWIHAVGBN-UHFFFAOYSA-N 0 0 446.438 5.363 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705460 521507402 /nfs/dbraw/zinc/50/74/02/521507402.db2.gz RBBGPXMVBAQFRA-UHFFFAOYSA-N 0 0 428.448 5.224 50 0 IKAARN CCOc1ccccc1CNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035560852 521507474 /nfs/dbraw/zinc/50/74/74/521507474.db2.gz RTIDGDBJHABJDN-UHFFFAOYSA-N 0 0 437.503 5.666 50 0 IKAARN CCOc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1 ZINC000014380948 521508974 /nfs/dbraw/zinc/50/89/74/521508974.db2.gz CTPPAKFSXIFSNP-UHFFFAOYSA-N 0 0 427.529 6.084 50 0 IKAARN CCCN(C)c1cc(-c2ccccc2)nc(SCc2cccc(C(=O)NC(C)C)c2)n1 ZINC000036038693 521513590 /nfs/dbraw/zinc/51/35/90/521513590.db2.gz ZWYHCKOTHNVDMQ-UHFFFAOYSA-N 0 0 434.609 5.420 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000035925029 521513980 /nfs/dbraw/zinc/51/39/80/521513980.db2.gz OAXTYEQEQLLQMY-DEOSSOPVSA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000035924968 521514070 /nfs/dbraw/zinc/51/40/70/521514070.db2.gz QMJGPBSBYVQNNU-CFIYRGOSSA-N 0 0 444.556 5.516 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000035924976 521514606 /nfs/dbraw/zinc/51/46/06/521514606.db2.gz LJNCPYLFYLOJLK-RUZDIDTESA-N 0 0 448.544 5.125 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000016448603 521516896 /nfs/dbraw/zinc/51/68/96/521516896.db2.gz ADIDNWCCRWTTRO-UHFFFAOYSA-N 0 0 447.878 5.486 50 0 IKAARN CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)NC1=S ZINC000033333120 521517554 /nfs/dbraw/zinc/51/75/54/521517554.db2.gz KYFNSMLFTNWGJN-GIJQJNRQSA-N 0 0 430.360 5.485 50 0 IKAARN CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)c2ccccc2Cl)c1 ZINC000015108411 521524679 /nfs/dbraw/zinc/52/46/79/521524679.db2.gz AQXJZBWMRDTGBS-UHFFFAOYSA-N 0 0 439.851 5.290 50 0 IKAARN CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1 ZINC000021096183 521528573 /nfs/dbraw/zinc/52/85/73/521528573.db2.gz KWUGKDSZCVKOKW-UHFFFAOYSA-N 0 0 447.535 6.151 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1ccc(-c2ccc(Br)cc2)nn1 ZINC000012140481 521531862 /nfs/dbraw/zinc/53/18/62/521531862.db2.gz ZGWIDGKLQPBOHQ-UHFFFAOYSA-N 0 0 444.354 5.036 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(C)ccc1C)n2Cc1ccccn1 ZINC000023459189 521532781 /nfs/dbraw/zinc/53/27/81/521532781.db2.gz CQPRQBRYSMJLBB-UHFFFAOYSA-N 0 0 431.561 5.565 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n2CCCOC(C)C ZINC000023324344 521532970 /nfs/dbraw/zinc/53/29/70/521532970.db2.gz UQZKDBRELYXCDN-UHFFFAOYSA-N 0 0 426.582 5.629 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1csc(-c3ccc(C)cc3)n1)n2CC ZINC000012635513 521533314 /nfs/dbraw/zinc/53/33/14/521533314.db2.gz UPTLBMHVSDPPKM-UHFFFAOYSA-N 0 0 437.590 5.957 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C)cc1 ZINC000021892808 521539758 /nfs/dbraw/zinc/53/97/58/521539758.db2.gz QDUOIHPABUPONB-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000021879965 521540059 /nfs/dbraw/zinc/54/00/59/521540059.db2.gz QFVAOBVIUCGKOU-SANMLTNESA-N 0 0 441.531 5.755 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021879853 521540921 /nfs/dbraw/zinc/54/09/21/521540921.db2.gz SWXVOOIYQIHRBV-VWLOTQADSA-N 0 0 429.495 5.885 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000015275834 521544267 /nfs/dbraw/zinc/54/42/67/521544267.db2.gz UWVNFTWBEUTCTM-DEOSSOPVSA-N 0 0 426.472 5.170 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1 ZINC000035429698 521545181 /nfs/dbraw/zinc/54/51/81/521545181.db2.gz FKXGRKDJTCMDPM-UHFFFAOYSA-N 0 0 426.476 5.111 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](CC)Sc1nnc(C)n2c3ccsc3cc12 ZINC000020510694 521548078 /nfs/dbraw/zinc/54/80/78/521548078.db2.gz LVGVOVKIZOHNDE-SFHVURJKSA-N 0 0 426.567 5.161 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCCC2 ZINC000002947263 521550688 /nfs/dbraw/zinc/55/06/88/521550688.db2.gz YXIKOWFWEIKLDC-UHFFFAOYSA-N 0 0 448.588 5.849 50 0 IKAARN CCOc1ccccc1NC(=S)N(Cc1cn(C)c2ccccc12)C1CCCCCC1 ZINC000020212605 521551574 /nfs/dbraw/zinc/55/15/74/521551574.db2.gz UUUMLIWVNQWSKL-UHFFFAOYSA-N 0 0 435.637 6.499 50 0 IKAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2cc(Cl)ccc2OC)c1N ZINC000012416087 521552167 /nfs/dbraw/zinc/55/21/67/521552167.db2.gz NVXWZJYIKGTNAW-UHFFFAOYSA-N 0 0 435.958 5.163 50 0 IKAARN CCOc1ccccc1NC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccccc2Cl)n1 ZINC000014610116 521552469 /nfs/dbraw/zinc/55/24/69/521552469.db2.gz UPPSFPDNFVQMQI-UHFFFAOYSA-N 0 0 448.910 5.247 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1c2cc(OCC)ccc2oc1-c1ccccc1 ZINC000011866420 521555634 /nfs/dbraw/zinc/55/56/34/521555634.db2.gz XDJCTZUBFPMTKZ-UHFFFAOYSA-N 0 0 429.472 5.928 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000015784147 521556391 /nfs/dbraw/zinc/55/63/91/521556391.db2.gz WLLOJCUAAWVHFS-UHFFFAOYSA-N 0 0 446.894 5.456 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1NC/C=C(\C)CCC=C(C)C ZINC000022668228 521569118 /nfs/dbraw/zinc/56/91/18/521569118.db2.gz NHOPRZGPTSAZHU-SFQUDFHCSA-N 0 0 447.501 6.444 50 0 IKAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1c(C)n[nH]c1C ZINC000012592269 521592472 /nfs/dbraw/zinc/59/24/72/521592472.db2.gz QFOYIFDBSUEVDT-MHZLTWQESA-N 0 0 442.563 5.013 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(COc3ccccc3F)n2-c2ccccc2)n1 ZINC000012528354 521592685 /nfs/dbraw/zinc/59/26/85/521592685.db2.gz KSDTUVJCTVKXPU-OAHLLOKOSA-N 0 0 439.516 5.174 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 ZINC000012528063 521593055 /nfs/dbraw/zinc/59/30/55/521593055.db2.gz FKUFYGKZRZDOMR-HZPDHXFCSA-N 0 0 444.580 5.142 50 0 IKAARN CCC(CC)NC(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000023450775 521595366 /nfs/dbraw/zinc/59/53/66/521595366.db2.gz YPIDIJNLACFGMN-UHFFFAOYSA-N 0 0 425.532 6.250 50 0 IKAARN CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000037396441 521601567 /nfs/dbraw/zinc/60/15/67/521601567.db2.gz TYNPGNICGNKYDN-UHFFFAOYSA-N 0 0 447.366 6.015 50 0 IKAARN CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)CC(C)C)c2)n1 ZINC000037396439 521601738 /nfs/dbraw/zinc/60/17/38/521601738.db2.gz WTFDBLVVTDBGSI-UHFFFAOYSA-N 0 0 433.339 5.624 50 0 IKAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Oc3ccccc3Cl)c2c1C ZINC000013055908 521619040 /nfs/dbraw/zinc/61/90/40/521619040.db2.gz GDBLIXJURQRIFM-UHFFFAOYSA-N 0 0 445.972 5.608 50 0 IKAARN CCCn1c2ccccc2nc1NC(=O)[C@@H](C)SCc1ccc(Br)cc1 ZINC000012700363 521639752 /nfs/dbraw/zinc/63/97/52/521639752.db2.gz LTSPDYMKFHQXLY-CQSZACIVSA-N 0 0 432.387 5.469 50 0 IKAARN CCCN(CCC)C(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1ccccc1Cl ZINC000035725930 521641327 /nfs/dbraw/zinc/64/13/27/521641327.db2.gz YTUFWWYFUCYRTH-UHFFFAOYSA-N 0 0 441.959 5.472 50 0 IKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1cc(-c2cccs2)on1 ZINC000020900611 521643318 /nfs/dbraw/zinc/64/33/18/521643318.db2.gz LKEMKSVIUZSISR-UHFFFAOYSA-N 0 0 437.521 5.664 50 0 IKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000021525829 521643389 /nfs/dbraw/zinc/64/33/89/521643389.db2.gz AFCBJEOORGWKFM-UHFFFAOYSA-N 0 0 449.482 5.741 50 0 IKAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(Cl)cc3)c2s1 ZINC000035533956 521650943 /nfs/dbraw/zinc/65/09/43/521650943.db2.gz CFNMDEYXXMHHRI-UHFFFAOYSA-N 0 0 436.006 5.097 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)c1ccco1 ZINC000035980739 521678284 /nfs/dbraw/zinc/67/82/84/521678284.db2.gz BMWJWYKLPZGYDK-UHFFFAOYSA-N 0 0 429.520 5.833 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)NC(C)C ZINC000035980845 521678558 /nfs/dbraw/zinc/67/85/58/521678558.db2.gz NSLGANOSSZTJHW-UHFFFAOYSA-N 0 0 436.556 5.218 50 0 IKAARN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1N(C)C)C(=O)c1cccc(F)c1 ZINC000035969995 521679393 /nfs/dbraw/zinc/67/93/93/521679393.db2.gz VXIQCGNARYKUMT-UHFFFAOYSA-N 0 0 428.939 5.092 50 0 IKAARN CCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccc(F)c1 ZINC000035975291 521679551 /nfs/dbraw/zinc/67/95/51/521679551.db2.gz AFNLUPTZVLUUHL-UHFFFAOYSA-N 0 0 448.464 5.149 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)c1cccs1 ZINC000035944353 521681114 /nfs/dbraw/zinc/68/11/14/521681114.db2.gz RVQLHGNMFWGOEO-UHFFFAOYSA-N 0 0 439.556 5.258 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1cc(C)ccc1C(C)C ZINC000012784398 521694649 /nfs/dbraw/zinc/69/46/49/521694649.db2.gz KDASODKLVHMDAH-UHFFFAOYSA-N 0 0 441.959 5.639 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OCC)c(OCC)c1 ZINC000012798665 521694716 /nfs/dbraw/zinc/69/47/16/521694716.db2.gz HASBEOZKOBLGJL-UHFFFAOYSA-N 0 0 443.931 5.240 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000020578147 521695191 /nfs/dbraw/zinc/69/51/91/521695191.db2.gz RGBQNGPHOABNDK-UHFFFAOYSA-N 0 0 448.636 5.963 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000025277057 521695651 /nfs/dbraw/zinc/69/56/51/521695651.db2.gz HUTWOIDNGWQXTJ-UHFFFAOYSA-N 0 0 440.887 5.009 50 0 IKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000012859273 521695681 /nfs/dbraw/zinc/69/56/81/521695681.db2.gz WLMUDAVCTNFJLI-UHFFFAOYSA-N 0 0 449.458 5.279 50 0 IKAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000012062896 521703334 /nfs/dbraw/zinc/70/33/34/521703334.db2.gz QXYGZTUNXPZILA-XMMPIXPASA-N 0 0 449.547 5.490 50 0 IKAARN CCN1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 ZINC000012862297 521725287 /nfs/dbraw/zinc/72/52/87/521725287.db2.gz DFMFKXGXBSHFNB-UHFFFAOYSA-N 0 0 427.957 5.006 50 0 IKAARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=S)NC(=O)c1ccc(OC)cc1 ZINC000012564271 521730786 /nfs/dbraw/zinc/73/07/86/521730786.db2.gz LXNRYVVFRYXIFR-CJLVFECKSA-N 0 0 430.573 5.607 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000035978345 521739488 /nfs/dbraw/zinc/73/94/88/521739488.db2.gz MMLSTNOQSZIPEI-UHFFFAOYSA-N 0 0 428.483 5.191 50 0 IKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000035980308 521739491 /nfs/dbraw/zinc/73/94/91/521739491.db2.gz MABWAWPIQUPIPC-UHFFFAOYSA-N 0 0 436.531 5.308 50 0 IKAARN COC(=O)c1c(NC(=O)c2cccc(OC(C)C)c2)sc(C)c1-c1cc(C)ccc1C ZINC000020357324 521770071 /nfs/dbraw/zinc/77/00/71/521770071.db2.gz BMFNMUWFOPHFCH-UHFFFAOYSA-N 0 0 437.561 6.166 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N[C@@H](C)CC(C)C)cnc2n1CC(C)C ZINC000014537132 521772709 /nfs/dbraw/zinc/77/27/09/521772709.db2.gz SQGCPJREOLVPAE-INIZCTEOSA-N 0 0 440.544 5.171 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)C[C@H](c1ccccc1)CC2 ZINC000012649765 521784945 /nfs/dbraw/zinc/78/49/45/521784945.db2.gz DNMKIBDYUVILJU-FZHKIGMJSA-N 0 0 449.616 5.962 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCC(C)C)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889156 521792983 /nfs/dbraw/zinc/79/29/83/521792983.db2.gz NDXHAHWHYNGTLW-NRFANRHFSA-N 0 0 430.514 6.433 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888633 521793291 /nfs/dbraw/zinc/79/32/91/521793291.db2.gz HAHHFULDITVPQP-UUOWRZLLSA-N 0 0 430.979 6.783 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccccc3OC)c[nH]c21 ZINC000035908351 521794967 /nfs/dbraw/zinc/79/49/67/521794967.db2.gz MLJSPQRROVMACV-CYFREDJKSA-N 0 0 426.560 6.138 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035579273 521795400 /nfs/dbraw/zinc/79/54/00/521795400.db2.gz VUDIZLFBBCIDGY-HSZRJFAPSA-N 0 0 431.967 5.660 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccc4c(c3)OCO4)c3cccc(F)c3)c[nH]c21 ZINC000035889291 521795539 /nfs/dbraw/zinc/79/55/39/521795539.db2.gz FMHSBIHRAMERQE-JOCHJYFZSA-N 0 0 444.506 5.437 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)c3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908328 521795788 /nfs/dbraw/zinc/79/57/88/521795788.db2.gz YTVROIPBIZOXQL-WZONZLPQSA-N 0 0 430.979 6.783 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)c3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888894 521795882 /nfs/dbraw/zinc/79/58/82/521795882.db2.gz YHRRLAFQVCAJSA-WZONZLPQSA-N 0 0 440.543 5.858 50 0 IKAARN COC(=O)c1cc(-c2csc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)n2)c[nH]1 ZINC000012844645 521796840 /nfs/dbraw/zinc/79/68/40/521796840.db2.gz VPTUBKXJBYVCEL-FQEVSTJZSA-N 0 0 449.557 5.397 50 0 IKAARN COC(=O)c1cc(-c2csc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)n2)c[nH]1 ZINC000012844648 521796935 /nfs/dbraw/zinc/79/69/35/521796935.db2.gz VPTUBKXJBYVCEL-HXUWFJFHSA-N 0 0 449.557 5.397 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)N(C(=O)CC)c1ccc(Cl)cc1-2 ZINC000032998066 521799615 /nfs/dbraw/zinc/79/96/15/521799615.db2.gz JOOVUSWJZHUGLV-HXUWFJFHSA-N 0 0 444.919 5.277 50 0 IKAARN CC[C@@H](C(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000035839498 521809704 /nfs/dbraw/zinc/80/97/04/521809704.db2.gz NUZFIDXEYIFZBC-FCHUYYIVSA-N 0 0 448.513 5.680 50 0 IKAARN CC[C@@H](C(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1)c1ccccc1 ZINC000033038123 521818018 /nfs/dbraw/zinc/81/80/18/521818018.db2.gz VTFCDQOIJMTKLI-OAQYLSRUSA-N 0 0 425.532 5.209 50 0 IKAARN COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000012369891 521827497 /nfs/dbraw/zinc/82/74/97/521827497.db2.gz FCKYNIXCLAYCMM-UHFFFAOYSA-N 0 0 428.901 5.020 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000035925105 521852069 /nfs/dbraw/zinc/85/20/69/521852069.db2.gz PELXQMIHVGLKRH-CJAUYULYSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000009663836 521852166 /nfs/dbraw/zinc/85/21/66/521852166.db2.gz AXPMMHKGHFNDQC-UHFFFAOYSA-N 0 0 426.925 5.238 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000035925101 521852272 /nfs/dbraw/zinc/85/22/72/521852272.db2.gz PHKAODIBWGCGNI-DEOSSOPVSA-N 0 0 436.964 5.933 50 0 IKAARN CCc1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(C)c3)N2C1=O ZINC000012866172 521853625 /nfs/dbraw/zinc/85/36/25/521853625.db2.gz HNFSUUJPILPBLM-AHWVRZQESA-N 0 0 435.527 5.522 50 0 biogenic IKAARN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532411 521861246 /nfs/dbraw/zinc/86/12/46/521861246.db2.gz VAHWWYDMSCRLMJ-NRFANRHFSA-N 0 0 448.567 6.069 50 0 IKAARN COC(=O)c1cc(COC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)oc1C ZINC000012484179 521862922 /nfs/dbraw/zinc/86/29/22/521862922.db2.gz HQXLSOZHTDQXLS-YDXVBCDDSA-N 0 0 436.548 5.573 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1ccccc1 ZINC000035886184 521869827 /nfs/dbraw/zinc/86/98/27/521869827.db2.gz KSFVGIXZVNQZMG-HSZRJFAPSA-N 0 0 448.950 5.394 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000035910134 521870300 /nfs/dbraw/zinc/87/03/00/521870300.db2.gz HARHFTNQKCWDOV-RDGATRHJSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467039 521871197 /nfs/dbraw/zinc/87/11/97/521871197.db2.gz VPKIUQLSSHTIEW-INIZCTEOSA-N 0 0 445.466 5.528 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@H](CC)O2)c1ccccc1 ZINC000035873075 521871504 /nfs/dbraw/zinc/87/15/04/521871504.db2.gz GSBBUGGALZSCLT-RPBOFIJWSA-N 0 0 442.559 5.519 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1)c1ccccc1 ZINC000035928615 521872638 /nfs/dbraw/zinc/87/26/38/521872638.db2.gz HTAYMGXXBVVVBA-ATIYNZHBSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1)c1ccccc1 ZINC000035928617 521872852 /nfs/dbraw/zinc/87/28/52/521872852.db2.gz HTAYMGXXBVVVBA-GJZUVCINSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000033068238 521875305 /nfs/dbraw/zinc/87/53/05/521875305.db2.gz OFKOKFPLZQNVPO-HXUWFJFHSA-N 0 0 447.922 5.059 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021536054 521891769 /nfs/dbraw/zinc/89/17/69/521891769.db2.gz BFEQCRIYPIYNDG-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C(C)C)cc1 ZINC000015732157 521891890 /nfs/dbraw/zinc/89/18/90/521891890.db2.gz ZNXKGJHSRXWXJI-GDLZYMKVSA-N 0 0 449.598 7.300 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021536161 521892879 /nfs/dbraw/zinc/89/28/79/521892879.db2.gz UKWGLHNDHFOKMK-SANMLTNESA-N 0 0 425.507 6.316 50 0 IKAARN COc1cc(-c2cc(CN(C(=O)c3ccccc3Cl)C(C)C)no2)cc(OC)c1OC ZINC000036012033 521894739 /nfs/dbraw/zinc/89/47/39/521894739.db2.gz RLZNVMSQERHMEJ-UHFFFAOYSA-N 0 0 444.915 5.072 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1 ZINC000035910218 521897991 /nfs/dbraw/zinc/89/79/91/521897991.db2.gz HDDNJLBSQOJWTR-QHCPKHFHSA-N 0 0 435.524 5.811 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3ccccc3)cs2)ccc1OCc1ccccc1F ZINC000034712198 521900325 /nfs/dbraw/zinc/90/03/25/521900325.db2.gz AQUJGFXIQMPMMT-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN COc1cc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCC3)cc(OC)c1OC ZINC000035323928 521902418 /nfs/dbraw/zinc/90/24/18/521902418.db2.gz BLNSHSFKWCBRHN-UHFFFAOYSA-N 0 0 449.938 5.621 50 0 IKAARN COC(=O)c1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCCC3)cc1 ZINC000035326045 521930002 /nfs/dbraw/zinc/93/00/02/521930002.db2.gz ZAVIDBBYBBWRDE-UHFFFAOYSA-N 0 0 445.950 6.162 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000016195029 521972224 /nfs/dbraw/zinc/97/22/24/521972224.db2.gz ZAPNGRIIONSWIA-CHHVJCJISA-N 0 0 444.723 5.598 50 0 IKAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)c1 ZINC000012917697 521986991 /nfs/dbraw/zinc/98/69/91/521986991.db2.gz DALUEEULTXCELJ-UHFFFAOYSA-N 0 0 435.505 5.224 50 0 IKAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000021936627 522009028 /nfs/dbraw/zinc/00/90/28/522009028.db2.gz GGDLDPVVVMGQCW-XXHMAFKTSA-N 0 0 448.592 5.068 50 0 IKAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCc2noc(C)n2)cc1 ZINC000012918796 522036720 /nfs/dbraw/zinc/03/67/20/522036720.db2.gz WXVCMTJJRYONRD-ZDUSSCGKSA-N 0 0 440.956 5.536 50 0 IKAARN CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccn(CC)n2)c2ccc(C(C)C)cc2)cc1 ZINC000020608153 522038100 /nfs/dbraw/zinc/03/81/00/522038100.db2.gz VJDURHNUWLXVJB-FQEVSTJZSA-N 0 0 439.625 5.935 50 0 IKAARN CC[C@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000020573312 522038406 /nfs/dbraw/zinc/03/84/06/522038406.db2.gz ICTYOAUBCHBCQI-KRWDZBQOSA-N 0 0 439.606 5.810 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1csc(NCc2ccccc2)n1 ZINC000022375408 522044215 /nfs/dbraw/zinc/04/42/15/522044215.db2.gz SZAFXSDODIEQBD-DLBZAZTESA-N 0 0 437.565 5.453 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000012565548 522044252 /nfs/dbraw/zinc/04/42/52/522044252.db2.gz QFBGLAUKNDIICH-KRWDZBQOSA-N 0 0 445.563 6.680 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccccc1 ZINC000012817720 522044560 /nfs/dbraw/zinc/04/45/60/522044560.db2.gz TXKJSDRUEMTQCW-IRXDYDNUSA-N 0 0 431.565 5.448 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccccc1 ZINC000012817712 522044776 /nfs/dbraw/zinc/04/47/76/522044776.db2.gz TXKJSDRUEMTQCW-DLBZAZTESA-N 0 0 431.565 5.448 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2OC)s1 ZINC000012590936 522045756 /nfs/dbraw/zinc/04/57/56/522045756.db2.gz AIYFCLDSSHGCMF-GJZGRUSLSA-N 0 0 442.610 5.923 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035865414 522055769 /nfs/dbraw/zinc/05/57/69/522055769.db2.gz WSGZGTYQKPYAGM-CVEARBPZSA-N 0 0 428.646 5.024 50 0 IKAARN 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/nfs/dbraw/zinc/63/92/46/522639246.db2.gz LTBRJIWNBQZULK-UHFFFAOYSA-N 0 0 440.547 5.179 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035975965 522639453 /nfs/dbraw/zinc/63/94/53/522639453.db2.gz PEHXTJKYUUJVAC-UHFFFAOYSA-N 0 0 433.527 5.657 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C(C)C)C1CC1 ZINC000035980030 522640430 /nfs/dbraw/zinc/64/04/30/522640430.db2.gz GUWLUKNPUYGJLY-UHFFFAOYSA-N 0 0 439.506 5.652 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3ccccc3)nc(SCC(=O)NC(C)(C)C)c12 ZINC000021885380 522645702 /nfs/dbraw/zinc/64/57/02/522645702.db2.gz SGPQPCMZARAIRZ-UHFFFAOYSA-N 0 0 445.592 5.052 50 0 IKAARN COc1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(OC)cc1Cl ZINC000012871712 522661709 /nfs/dbraw/zinc/66/17/09/522661709.db2.gz UIJWFJADHSYZKH-OAQYLSRUSA-N 0 0 448.997 5.066 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc(OC)c1 ZINC000033169400 522701411 /nfs/dbraw/zinc/70/14/11/522701411.db2.gz QFVQLNPVIVDYKD-UHFFFAOYSA-N 0 0 443.503 6.287 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc(OC)c1 ZINC000000696021 522718195 /nfs/dbraw/zinc/71/81/95/522718195.db2.gz IBDLDFWPBKWWGT-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN COc1cc(NC(=O)c2ccc(Cl)cc2)c(-c2nc(-c3ccccc3)no2)cc1OC ZINC000020727301 522723885 /nfs/dbraw/zinc/72/38/85/522723885.db2.gz WSRBXLLBHOFMHU-UHFFFAOYSA-N 0 0 435.867 5.327 50 0 IKAARN COc1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc(OC)c1OC ZINC000012821668 522734477 /nfs/dbraw/zinc/73/44/77/522734477.db2.gz RJBRQPGOHVLDCL-UHFFFAOYSA-N 0 0 436.489 5.348 50 0 IKAARN CCc1nnc(SCc2nc(-c3cccc(Cl)c3)oc2C)c2cc3oc(C)cc3n21 ZINC000020510800 522782695 /nfs/dbraw/zinc/78/26/95/522782695.db2.gz HKGATPBSFCSCLP-UHFFFAOYSA-N 0 0 438.940 6.255 50 0 IKAARN CCc1nnc(S[C@H](CC)C(=O)Nc2ccccc2OC)c2cc3sccc3n21 ZINC000020510756 522785240 /nfs/dbraw/zinc/78/52/40/522785240.db2.gz PQJJMUKKUIUVFF-QGZVFWFLSA-N 0 0 426.567 5.024 50 0 IKAARN COc1cc(OC)c(C(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)cc1OC ZINC000012418187 522789675 /nfs/dbraw/zinc/78/96/75/522789675.db2.gz DBQYIMZZSUDNET-UHFFFAOYSA-N 0 0 430.913 5.164 50 0 IKAARN CC[C@@H](NC(=O)c1cccc(COCC(F)(F)C(F)F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000033580377 522791836 /nfs/dbraw/zinc/79/18/36/522791836.db2.gz CZCMGTWILXREHC-ZTLYHTANSA-N 0 0 441.509 5.828 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 ZINC000016193296 522805968 /nfs/dbraw/zinc/80/59/68/522805968.db2.gz LBNXNZRPFUSASU-UHFFFAOYSA-N 0 0 432.336 5.283 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 ZINC000012855488 522806009 /nfs/dbraw/zinc/80/60/09/522806009.db2.gz KQJSJHMRUQAOAB-UKTHLTGXSA-N 0 0 431.565 5.499 50 0 IKAARN COc1cc(OC)c(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1Cl ZINC000020852879 522814644 /nfs/dbraw/zinc/81/46/44/522814644.db2.gz KHIBZWQBMWUCOZ-OAQYLSRUSA-N 0 0 439.874 5.748 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3F)n2C2CCCCC2)c1 ZINC000035847562 522838260 /nfs/dbraw/zinc/83/82/60/522838260.db2.gz UPDZQGRCKQPYRC-UHFFFAOYSA-N 0 0 445.535 6.038 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3F)n2-c2ccccc2C)c1 ZINC000035847692 522838626 /nfs/dbraw/zinc/83/86/26/522838626.db2.gz AUELLHQKXWEHKI-UHFFFAOYSA-N 0 0 435.524 5.691 50 0 IKAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000013943581 522851941 /nfs/dbraw/zinc/85/19/41/522851941.db2.gz CKLPHCKVZIMOOG-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN CC[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000065031779 522870235 /nfs/dbraw/zinc/87/02/35/522870235.db2.gz SYXXMCYAKUMSDU-VWLOTQADSA-N 0 0 425.488 5.296 50 0 IKAARN CN(CCOC(=O)c1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)nc2ccccc21 ZINC000020443527 522886694 /nfs/dbraw/zinc/88/66/94/522886694.db2.gz ATTYGJIYCZMWEN-UHFFFAOYSA-N 0 0 443.252 5.854 50 0 IKAARN COCc1c(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)sc2cccc(F)c21 ZINC000021601029 522899421 /nfs/dbraw/zinc/89/94/21/522899421.db2.gz GKOOKGQVAWLIHE-IBGZPJMESA-N 0 0 443.931 5.093 50 0 IKAARN COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccc(OC)cc3)c21 ZINC000012445361 522919053 /nfs/dbraw/zinc/91/90/53/522919053.db2.gz MBRZQZFQJFNCMU-QFIPXVFZSA-N 0 0 448.544 5.094 50 0 IKAARN COCc1cc(C)nc2sc3c(c21)NC1(CCCCC1)N(c1ccc(OC)cc1)C3=O ZINC000020446500 522919240 /nfs/dbraw/zinc/91/92/40/522919240.db2.gz LPGNDNDVTSVSLI-UHFFFAOYSA-N 0 0 437.565 5.492 50 0 IKAARN COCc1cc(C)nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccccc3OC)c21 ZINC000012445366 522920817 /nfs/dbraw/zinc/92/08/17/522920817.db2.gz IQOWXNBKRAKUOC-JOCHJYFZSA-N 0 0 448.544 5.094 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1O ZINC000021728877 522923810 /nfs/dbraw/zinc/92/38/10/522923810.db2.gz UGMRJNLAAKFNKF-FQEVSTJZSA-N 0 0 425.488 5.036 50 0 IKAARN COc1cc([C@@H]2O[C@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 ZINC000035741612 522931226 /nfs/dbraw/zinc/93/12/26/522931226.db2.gz OEDFWOKQVJHDQD-GTFGCAHESA-N 0 0 444.527 6.149 50 0 IKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(Br)c1OC ZINC000015947678 522963326 /nfs/dbraw/zinc/96/33/26/522963326.db2.gz QPICGJYSQHRQCU-XYZCENFISA-N 0 0 437.359 5.082 50 0 IKAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015945282 522966199 /nfs/dbraw/zinc/96/61/99/522966199.db2.gz DJNLNGTTYFWUAH-JOCHJYFZSA-N 0 0 448.544 5.017 50 0 IKAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4cc(C)ccc4C)c(C)c13)CCC(C)(C)O2 ZINC000012900958 522996988 /nfs/dbraw/zinc/99/69/88/522996988.db2.gz VWNLUXLNAAYNTR-UHFFFAOYSA-N 0 0 435.520 5.012 50 0 biogenic IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)Oc1cc(C)c3ccccc3n1)oc1ccccc12 ZINC000012639757 523015898 /nfs/dbraw/zinc/01/58/98/523015898.db2.gz IBXJLSSEIMQSOD-MRXNPFEDSA-N 0 0 426.472 5.857 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)C1CCCCC1)CC2 ZINC000023309278 523037590 /nfs/dbraw/zinc/03/75/90/523037590.db2.gz YANYXWMEALKPHB-QHCPKHFHSA-N 0 0 431.935 5.551 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)CCC1CCCC1)CC2 ZINC000022668480 523040612 /nfs/dbraw/zinc/04/06/12/523040612.db2.gz CJIVLTZWDSKEHV-RUZDIDTESA-N 0 0 427.972 5.802 50 0 IKAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3cc4cc(C)ccc4nc3s1)CC2 ZINC000021087435 523045540 /nfs/dbraw/zinc/04/55/40/523045540.db2.gz RVFJGWSDJBEKJU-HNNXBMFYSA-N 0 0 432.545 5.535 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc3ncsc3c1)CC2 ZINC000012796065 523052040 /nfs/dbraw/zinc/05/20/40/523052040.db2.gz YBQXHQMVMLWDFN-JOCHJYFZSA-N 0 0 436.558 5.163 50 0 IKAARN COc1cc2nc(/C=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2cc1SC ZINC000012575698 523063501 /nfs/dbraw/zinc/06/35/01/523063501.db2.gz VRAYKWUUHDRGSP-ZRDIBKRKSA-N 0 0 449.597 6.785 50 0 IKAARN COc1cc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(C)cc3)c2cc1OC ZINC000020382410 523070419 /nfs/dbraw/zinc/07/04/19/523070419.db2.gz HAJPJNZDWICNHA-UHFFFAOYSA-N 0 0 448.544 5.005 50 0 IKAARN CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000015304080 523079586 /nfs/dbraw/zinc/07/95/86/523079586.db2.gz CDBJSKMOPPQZFA-QPLCGJKRSA-N 0 0 429.593 5.762 50 0 IKAARN CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@H](C)c2nc3ccccc3s2)c1=S ZINC000012805907 523081010 /nfs/dbraw/zinc/08/10/10/523081010.db2.gz QGGVUAZZKMAKAL-CQSZACIVSA-N 0 0 444.029 6.015 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CNc3ccccc3C)n2)cc1 ZINC000021659563 523084567 /nfs/dbraw/zinc/08/45/67/523084567.db2.gz HNTPAOMLFUUKDE-UHFFFAOYSA-N 0 0 438.531 5.487 50 0 IKAARN COc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)c4ccccc4)sc3n2)cc1 ZINC000012249950 523085474 /nfs/dbraw/zinc/08/54/74/523085474.db2.gz WHYJJGACSQTEFQ-UHFFFAOYSA-N 0 0 426.497 6.045 50 0 IKAARN CC[C@@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000020510720 523086763 /nfs/dbraw/zinc/08/67/63/523086763.db2.gz MOURHLNDTSRZTM-QGZVFWFLSA-N 0 0 446.985 5.424 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1OC ZINC000012296471 523090354 /nfs/dbraw/zinc/09/03/54/523090354.db2.gz DQQOXOBZOFDENZ-UHFFFAOYSA-N 0 0 441.439 5.476 50 0 biogenic IKAARN COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3F)c3ccccc3n2)cc1OC ZINC000012735135 523091667 /nfs/dbraw/zinc/09/16/67/523091667.db2.gz OQPYHQJIBPDVRR-UHFFFAOYSA-N 0 0 430.479 5.330 50 0 IKAARN CC[C@@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(F)cc3F)ccc2OCC1=O ZINC000035909653 523100957 /nfs/dbraw/zinc/10/09/57/523100957.db2.gz DLMVEESTETXFKP-QFIPXVFZSA-N 0 0 436.458 5.089 50 0 IKAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000012799704 523103719 /nfs/dbraw/zinc/10/37/19/523103719.db2.gz CIYYAEBTVHJYJF-HNNXBMFYSA-N 0 0 441.622 5.074 50 0 IKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000020761503 523104241 /nfs/dbraw/zinc/10/42/41/523104241.db2.gz IIMILDMUJLNSQO-UHFFFAOYSA-N 0 0 440.927 5.366 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCc1cccc(Br)c1)CCCC3 ZINC000016755503 523106289 /nfs/dbraw/zinc/10/62/89/523106289.db2.gz WWJNELUHOZUALL-UHFFFAOYSA-N 0 0 435.412 5.412 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)cc1 ZINC000020615625 523105969 /nfs/dbraw/zinc/10/59/69/523105969.db2.gz LVJQKMJMRDTXBP-UHFFFAOYSA-N 0 0 441.459 5.065 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cc1OC ZINC000020602951 523106955 /nfs/dbraw/zinc/10/69/55/523106955.db2.gz UNQSNHNTZSLXBF-UHFFFAOYSA-N 0 0 441.453 6.305 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000012845913 523107209 /nfs/dbraw/zinc/10/72/09/523107209.db2.gz ZLAQSPCEHWGWMQ-UHFFFAOYSA-N 0 0 448.876 5.151 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3)no2)cc1OC ZINC000036019179 523108255 /nfs/dbraw/zinc/10/82/55/523108255.db2.gz YIUFIURQOSIYRN-UHFFFAOYSA-N 0 0 446.478 5.341 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3cccs3)no2)cc1OC ZINC000036019140 523108359 /nfs/dbraw/zinc/10/83/59/523108359.db2.gz XLRCKRRRZOTDMN-UHFFFAOYSA-N 0 0 434.517 5.263 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3ccc(C)cc3)no2)c(OC)c1 ZINC000036001794 523109635 /nfs/dbraw/zinc/10/96/35/523109635.db2.gz WKEPSBHOJAMPQY-UHFFFAOYSA-N 0 0 432.476 5.103 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc2OC)cc1 ZINC000012909790 523110660 /nfs/dbraw/zinc/11/06/60/523110660.db2.gz IOLBSXIYKNOCLE-QHCPKHFHSA-N 0 0 433.504 5.181 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3cc(Cl)cc(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000023461480 523111214 /nfs/dbraw/zinc/11/12/14/523111214.db2.gz OMMMWHGPLFYSRM-UHFFFAOYSA-N 0 0 438.314 6.107 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)ccc2OC)cc1 ZINC000012589497 523114183 /nfs/dbraw/zinc/11/41/83/523114183.db2.gz NEDNYNUSXNGYKK-NRFANRHFSA-N 0 0 449.572 5.894 50 0 IKAARN COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC(=O)N3)cc1 ZINC000020723229 523122712 /nfs/dbraw/zinc/12/27/12/523122712.db2.gz XNZQRYONIIVDSV-MRXNPFEDSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2ccc(CNC(=O)Nc3cccc(Cl)c3)c3cnccc23)cc1C ZINC000035844636 523132686 /nfs/dbraw/zinc/13/26/86/523132686.db2.gz YWFAHHPRCBIBHM-UHFFFAOYSA-N 0 0 431.923 6.194 50 0 IKAARN COc1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Nc4cccc(F)c4)nc3c2)cc1 ZINC000034908618 523137976 /nfs/dbraw/zinc/13/79/76/523137976.db2.gz HUUZPJLVXXVRBS-QFIPXVFZSA-N 0 0 431.467 6.012 50 0 IKAARN COc1ccc(-c2ccc3nc(-c4ccccc4Br)oc3c2)c(OC)c1OC ZINC000023461563 523138393 /nfs/dbraw/zinc/13/83/93/523138393.db2.gz NCNNCINDRGWUKI-UHFFFAOYSA-N 0 0 440.293 5.950 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@@H](C)[C@@H]5C)cc4sc3n2)cc1 ZINC000020490311 523144531 /nfs/dbraw/zinc/14/45/31/523144531.db2.gz KSRRJWHRXCLACZ-GQIGUUNPSA-N 0 0 433.577 5.779 50 0 IKAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cc(C)nc(Cl)c4)cc3)n2)cc1 ZINC000023446864 523145456 /nfs/dbraw/zinc/14/54/56/523145456.db2.gz ZUKGSEPWFMRBRE-UHFFFAOYSA-N 0 0 432.911 5.039 50 0 IKAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4cccc5ccccc54)ccc3n2)cc1 ZINC000016954775 523146421 /nfs/dbraw/zinc/14/64/21/523146421.db2.gz ZBXOLVLNJPRSDJ-UHFFFAOYSA-N 0 0 440.528 5.289 50 0 IKAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000035684718 523153559 /nfs/dbraw/zinc/15/35/59/523153559.db2.gz NHMXYICNQXGXKW-QGZVFWFLSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(OC)cc3)n2)cc1 ZINC000001415688 523159491 /nfs/dbraw/zinc/15/94/91/523159491.db2.gz ZSZCGXCICAQZAG-UHFFFAOYSA-N 0 0 431.439 5.699 50 0 IKAARN COc1ccc(-c2csc(Cc3nc(Cc4ccc(Cl)cc4)no3)n2)cc1OC ZINC000033298256 523163620 /nfs/dbraw/zinc/16/36/20/523163620.db2.gz PILKBLSCOGJJFV-UHFFFAOYSA-N 0 0 427.913 5.045 50 0 IKAARN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCc4ccccc4F)cc2)CC(=O)O3)cc1 ZINC000012370978 523180633 /nfs/dbraw/zinc/18/06/33/523180633.db2.gz NIUNBFKQTHCVKG-OAQYLSRUSA-N 0 0 444.462 5.244 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)Nc3cc(OC)cc(OC)c3)c2)nc2ccccc21 ZINC000013347702 523183282 /nfs/dbraw/zinc/18/32/82/523183282.db2.gz YTGABAHKBPXORW-UHFFFAOYSA-N 0 0 444.535 5.503 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)Nc3cc(C)ccc3OC)c2)nc2ccccc21 ZINC000013347711 523183917 /nfs/dbraw/zinc/18/39/17/523183917.db2.gz KNGRMYWJYROVIQ-UHFFFAOYSA-N 0 0 428.536 5.802 50 0 IKAARN CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000012323873 523201470 /nfs/dbraw/zinc/20/14/70/523201470.db2.gz VVBJASVWLCPPCU-UHFFFAOYSA-N 0 0 435.528 5.147 50 0 IKAARN COCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000012151173 523213962 /nfs/dbraw/zinc/21/39/62/523213962.db2.gz HWZNVQYFCGRYHH-UHFFFAOYSA-N 0 0 437.506 5.335 50 0 IKAARN COc1ccc(-c2nc(CSc3nc4ccccc4n4c3nnc4C(C)C)c(C)o2)cc1 ZINC000021658027 523214379 /nfs/dbraw/zinc/21/43/79/523214379.db2.gz FBLYSTMKWOUAQA-UHFFFAOYSA-N 0 0 445.548 5.665 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3cccnc3SCC(F)(F)F)sc2C)cc1 ZINC000022884300 523221400 /nfs/dbraw/zinc/22/14/00/523221400.db2.gz MJTKXJOWZGXQQI-UHFFFAOYSA-N 0 0 439.484 5.429 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cc2ccccc2o1 ZINC000015018957 523225563 /nfs/dbraw/zinc/22/55/63/523225563.db2.gz ZOTILCMLJXUXAN-UHFFFAOYSA-N 0 0 426.929 5.404 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278117 523229820 /nfs/dbraw/zinc/22/98/20/523229820.db2.gz RDDQYCIXESAYMK-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN CCn1c(SCC(=O)c2ccccc2OC)nc2scc(-c3cccs3)c2c1=O ZINC000012682300 523231480 /nfs/dbraw/zinc/23/14/80/523231480.db2.gz YLFCAHZVHJPZFZ-UHFFFAOYSA-N 0 0 442.587 5.190 50 0 IKAARN CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2o1 ZINC000015019314 523232956 /nfs/dbraw/zinc/23/29/56/523232956.db2.gz FCDZXFBQHWBLTG-UHFFFAOYSA-N 0 0 435.534 5.052 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012857144 523233702 /nfs/dbraw/zinc/23/37/02/523233702.db2.gz LZJKHOUHSRSZNT-UHFFFAOYSA-N 0 0 447.922 6.002 50 0 IKAARN COc1ccc(-c2nc3nc(C)cc(N(Cc4ccccc4)Cc4ccccc4)n3n2)cc1 ZINC000020888781 523235465 /nfs/dbraw/zinc/23/54/65/523235465.db2.gz SXLIZKHNCCRUNU-UHFFFAOYSA-N 0 0 435.531 5.315 50 0 IKAARN COc1ccc(-c2ncc(C(=O)NCc3ccccc3)c(Oc3cccc(C)c3)n2)cc1 ZINC000035988172 523236513 /nfs/dbraw/zinc/23/65/13/523236513.db2.gz JMPLVMKDWIHTCH-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccc(-c2ncc(C(=O)NCc3ccc(F)cc3)c(Oc3cccc(C)c3)n2)cc1 ZINC000035988175 523236703 /nfs/dbraw/zinc/23/67/03/523236703.db2.gz QVXUETXCNZMDQH-UHFFFAOYSA-N 0 0 443.478 5.322 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)C2CCCCC2)cc1OC ZINC000012565909 523239549 /nfs/dbraw/zinc/23/95/49/523239549.db2.gz ZXSNPVPNVXQCMF-BMRADRMJSA-N 0 0 445.563 5.361 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2cc(C3CC3)n[nH]2)cc1F ZINC000012433608 523244610 /nfs/dbraw/zinc/24/46/10/523244610.db2.gz CLFJMPWIHJVOJX-UHFFFAOYSA-N 0 0 445.542 5.228 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)[C@H](C)c2nccs2)cc1F ZINC000012458894 523244770 /nfs/dbraw/zinc/24/47/70/523244770.db2.gz WLHULBBPFQCMJF-QGZVFWFLSA-N 0 0 436.556 5.645 50 0 IKAARN COCc1nn2c(ncc3c2C[C@H](/C=C/c2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000012322513 523245990 /nfs/dbraw/zinc/24/59/90/523245990.db2.gz VZOCBXOCWPEFEW-ZGKFYVQTSA-N 0 0 443.934 5.655 50 0 IKAARN COc1ccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)n2C(C)C)cc1 ZINC000012853366 523247184 /nfs/dbraw/zinc/24/71/84/523247184.db2.gz DDHIQUMVCJBKKO-UHFFFAOYSA-N 0 0 439.610 5.370 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000012784403 523256615 /nfs/dbraw/zinc/25/66/15/523256615.db2.gz XJLKUMNLQWOWAE-WIYYLYMNSA-N 0 0 444.645 5.442 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)n2C2CCCCC2)cc1 ZINC000035847860 523262242 /nfs/dbraw/zinc/26/22/42/523262242.db2.gz XVARAAUEZBQSMW-UHFFFAOYSA-N 0 0 447.526 6.770 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2-c2cccc(C)c2)cc1OC ZINC000035848718 523262589 /nfs/dbraw/zinc/26/25/89/523262589.db2.gz IRGNKHQHDJMKHY-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COCCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(OC)c1)C(=O)C(C)C ZINC000014984633 523262883 /nfs/dbraw/zinc/26/28/83/523262883.db2.gz VMBZEQRQHYJGTB-UHFFFAOYSA-N 0 0 440.971 5.585 50 0 IKAARN COCCCN(Cc1cc2ccc(SC)cc2nc1-c1cccc(C)c1)C(=O)C(C)C ZINC000012152320 523264860 /nfs/dbraw/zinc/26/48/60/523264860.db2.gz SEVQJTIWJWVWBK-UHFFFAOYSA-N 0 0 436.621 5.953 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4cccs4)o3)n2CC(C)C)cc1 ZINC000009799434 523265262 /nfs/dbraw/zinc/26/52/62/523265262.db2.gz IGXWCVBTASJCFG-CQSZACIVSA-N 0 0 441.582 5.575 50 0 IKAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3c4ccccc4nc4c3CCCCC4)o2)cc1 ZINC000012933848 523266930 /nfs/dbraw/zinc/26/69/30/523266930.db2.gz POKYEVGEHWIPQJ-MRXNPFEDSA-N 0 0 443.503 5.480 50 0 IKAARN CCn1c2ccccc2c(C(=O)CN2CCN(Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000022038465 523271547 /nfs/dbraw/zinc/27/15/47/523271547.db2.gz ZTAWBFGTSYOYIW-UHFFFAOYSA-N 0 0 437.587 5.329 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccccc3)n2)cc1OC ZINC000022461674 523275768 /nfs/dbraw/zinc/27/57/68/523275768.db2.gz QFQMENLXONJYNP-NTCAYCPXSA-N 0 0 427.460 5.073 50 0 IKAARN CCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000033256019 523299139 /nfs/dbraw/zinc/29/91/39/523299139.db2.gz PTEZGQDLLGTEQH-UHFFFAOYSA-N 0 0 432.499 5.114 50 0 IKAARN CCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255946 523299285 /nfs/dbraw/zinc/29/92/85/523299285.db2.gz MFQKLZXJWNNKPQ-UHFFFAOYSA-N 0 0 432.499 5.176 50 0 IKAARN CC[C@H]1CN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c2ccccc2S1 ZINC000020984743 523299271 /nfs/dbraw/zinc/29/92/71/523299271.db2.gz VSPJPAFPSFQNPD-SFHVURJKSA-N 0 0 428.579 5.346 50 0 IKAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000035319227 523302481 /nfs/dbraw/zinc/30/24/81/523302481.db2.gz ITTZVXPDTGFJML-KRWDZBQOSA-N 0 0 432.402 5.133 50 0 IKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000022699060 523306986 /nfs/dbraw/zinc/30/69/86/523306986.db2.gz QHKBBLKUMKRAOP-UHFFFAOYSA-N 0 0 431.444 5.141 50 0 IKAARN COc1ccc(-n2c(/C=C/c3cccc(F)c3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000012566675 523309763 /nfs/dbraw/zinc/30/97/63/523309763.db2.gz NENKDRGSJBTAAW-NTEUORMPSA-N 0 0 432.520 5.644 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000012657779 523324482 /nfs/dbraw/zinc/32/44/82/523324482.db2.gz VGDGWAFHDCHMDE-QGZVFWFLSA-N 0 0 429.545 5.104 50 0 IKAARN COc1ccc(-n2cc(C(=O)N(Cc3ccco3)C3CCCC3)c3ccccc3c2=O)cc1 ZINC000020508963 523326306 /nfs/dbraw/zinc/32/63/06/523326306.db2.gz SDIAHXXJFFAPES-UHFFFAOYSA-N 0 0 442.515 5.177 50 0 IKAARN COc1ccc(-n2cc(C(=O)N(Cc3ccccc3)C(C)C)c3ccccc3c2=O)cc1 ZINC000020508900 523326512 /nfs/dbraw/zinc/32/65/12/523326512.db2.gz JPROUORKJUIGEP-UHFFFAOYSA-N 0 0 426.516 5.050 50 0 IKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(Br)cc2)cc3C(F)F)cc1 ZINC000020602847 523345673 /nfs/dbraw/zinc/34/56/73/523345673.db2.gz VQNODVDLZNFCJI-UHFFFAOYSA-N 0 0 444.279 6.105 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cccc(OC)c2)cc3C(F)(F)F)cc1 ZINC000020615460 523346759 /nfs/dbraw/zinc/34/67/59/523346759.db2.gz UXRJWYIGZBCFCW-UHFFFAOYSA-N 0 0 439.437 6.001 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cccc4ccccc42)cc3C(F)F)cc1 ZINC000020615250 523346860 /nfs/dbraw/zinc/34/68/60/523346860.db2.gz UWTUFRVQAXAWDV-UHFFFAOYSA-N 0 0 441.481 7.064 50 0 IKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(C24CC5CC(CC(C5)C2)C4)cc3C(F)F)cc1 ZINC000020603629 523347012 /nfs/dbraw/zinc/34/70/12/523347012.db2.gz IYNNETYQUZSIQP-UHFFFAOYSA-N 0 0 449.545 6.712 50 0 IKAARN CCn1cc(CN(C(=S)Nc2ccc(C)cc2Cl)C2CCCCC2)c2ccccc21 ZINC000020212766 523366075 /nfs/dbraw/zinc/36/60/75/523366075.db2.gz SRCLQGPCFGBYCO-UHFFFAOYSA-N 0 0 440.056 7.155 50 0 IKAARN COCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1S2 ZINC000020726480 523367342 /nfs/dbraw/zinc/36/73/42/523367342.db2.gz BMLBWNRCOGXDAM-UHFFFAOYSA-N 0 0 446.572 5.073 50 0 IKAARN CC[C@@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(OC)cc4)c(COC)nn32)C1 ZINC000035326930 523370344 /nfs/dbraw/zinc/37/03/44/523370344.db2.gz TUEPYQKXINFLAE-QGZVFWFLSA-N 0 0 445.538 5.872 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3c(C(F)(F)F)c2C1 ZINC000012858094 523373030 /nfs/dbraw/zinc/37/30/30/523373030.db2.gz YTRWKASJWYJECO-SNVBAGLBSA-N 0 0 437.462 5.804 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000012490634 523397166 /nfs/dbraw/zinc/39/71/66/523397166.db2.gz WOCQSKUXJDNENY-JYFOCSDGSA-N 0 0 428.488 5.008 50 0 IKAARN COc1ccc(/C=C/c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(Cl)c1OC ZINC000012369490 523406791 /nfs/dbraw/zinc/40/67/91/523406791.db2.gz ADOOMUIPNAVGNT-UXBLZVDNSA-N 0 0 426.778 5.476 50 0 IKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2Br)cc1 ZINC000020662568 523408092 /nfs/dbraw/zinc/40/80/92/523408092.db2.gz FIXLZCDMSGSMNV-GXDHUFHOSA-N 0 0 447.332 5.636 50 0 IKAARN COc1ccc(/C=C2/NC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1COc1ccccc1 ZINC000035669499 523410797 /nfs/dbraw/zinc/41/07/97/523410797.db2.gz YAKAUQVPFDYFHK-RPNTZMPASA-N 0 0 444.556 5.093 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885377 523418556 /nfs/dbraw/zinc/41/85/56/523418556.db2.gz YNHXIJRGQCOHCJ-HXUWFJFHSA-N 0 0 428.960 5.415 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccc(F)cc2Cl)C1=O ZINC000035909881 523418701 /nfs/dbraw/zinc/41/87/01/523418701.db2.gz XWIIQMVGIKDFRF-OAQYLSRUSA-N 0 0 444.934 5.308 50 0 IKAARN CC[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccc(F)cc2Cl)C1=O ZINC000035909879 523420031 /nfs/dbraw/zinc/42/00/31/523420031.db2.gz WJKYBILPJZVCEX-HXUWFJFHSA-N 0 0 446.950 5.554 50 0 IKAARN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000012563775 523427563 /nfs/dbraw/zinc/42/75/63/523427563.db2.gz IUCTWOBKQBZJFY-NDENLUEZSA-N 0 0 425.893 5.845 50 0 IKAARN CCn1cc([C@@H](CC(=O)N2CCc3ccccc3C2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872389 523461751 /nfs/dbraw/zinc/46/17/51/523461751.db2.gz ZLKZBNOZGGZPHE-VWLOTQADSA-N 0 0 442.990 6.422 50 0 IKAARN CCn1cc([C@@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)c2ccccc21 ZINC000035872183 523461908 /nfs/dbraw/zinc/46/19/08/523461908.db2.gz NTYDWEUHTRALEJ-LVXARBLLSA-N 0 0 442.578 6.460 50 0 IKAARN CCn1cc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=S)Nc2ccc(F)cc2)c(C)n1 ZINC000022170931 523470357 /nfs/dbraw/zinc/47/03/57/523470357.db2.gz PYAMUDTTZOIHAC-HSZRJFAPSA-N 0 0 433.556 5.176 50 0 IKAARN CCn1cc([C@H](CC(=O)N[C@H](C)c2ccccc2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035872104 523480711 /nfs/dbraw/zinc/48/07/11/523480711.db2.gz IDMHUGFHXOFBBQ-NTKDMRAZSA-N 0 0 430.979 6.714 50 0 IKAARN COCCCn1c2nc(-c3cccc4ccccc43)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605500 523500966 /nfs/dbraw/zinc/50/09/66/523500966.db2.gz YZNMVJSKUFGSMI-UHFFFAOYSA-N 0 0 427.476 5.248 50 0 IKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCCSc1nc2ccccc2s1 ZINC000012535060 523563783 /nfs/dbraw/zinc/56/37/83/523563783.db2.gz GNTLOFUDMDRBJG-UHFFFAOYSA-N 0 0 446.548 5.572 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885379 523606340 /nfs/dbraw/zinc/60/63/40/523606340.db2.gz YNHXIJRGQCOHCJ-FQEVSTJZSA-N 0 0 428.960 5.415 50 0 IKAARN CC[C@@H]1Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2CN(C2CCCCC2)C1=O ZINC000035886508 523607330 /nfs/dbraw/zinc/60/73/30/523607330.db2.gz MZOBBBSYBMARLC-NRFANRHFSA-N 0 0 441.959 5.816 50 0 IKAARN CCn1nc(C)c(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)c1C ZINC000253534502 523620036 /nfs/dbraw/zinc/62/00/36/523620036.db2.gz DGHNSOORNPGMCA-PRNDELSXSA-N 0 0 426.645 5.278 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3F)C2)c2ccccc12 ZINC000012773808 523635027 /nfs/dbraw/zinc/63/50/27/523635027.db2.gz MXWAAPBAMDIXQB-OAHLLOKOSA-N 0 0 440.902 5.132 50 0 IKAARN CCn1nc(C)c(CCNC(=O)Cn2c(-c3cccs3)cc3cc(Cl)ccc32)c1C ZINC000035373614 523637834 /nfs/dbraw/zinc/63/78/34/523637834.db2.gz BWGJAPQITTXTNO-UHFFFAOYSA-N 0 0 441.000 5.215 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3C)C2)c2ccccc12 ZINC000012741190 523639860 /nfs/dbraw/zinc/63/98/60/523639860.db2.gz DGITWFLBFMHYKN-KRWDZBQOSA-N 0 0 436.939 5.301 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cc1OC ZINC000012836712 523640351 /nfs/dbraw/zinc/64/03/51/523640351.db2.gz RTVSMBHAJQVXDN-NRFANRHFSA-N 0 0 447.506 5.245 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000021715774 523665446 /nfs/dbraw/zinc/66/54/46/523665446.db2.gz CHESWSLPKHJAQD-VWLOTQADSA-N 0 0 446.934 5.626 50 0 IKAARN COc1ccc(C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021779828 523665800 /nfs/dbraw/zinc/66/58/00/523665800.db2.gz ZSQWZVKMXMHFQU-VWLOTQADSA-N 0 0 430.479 5.112 50 0 IKAARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1Br ZINC000012911337 523667610 /nfs/dbraw/zinc/66/76/10/523667610.db2.gz NXZZNVBYDKCTGH-GOSISDBHSA-N 0 0 434.380 5.369 50 0 IKAARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1Br ZINC000012911342 523668021 /nfs/dbraw/zinc/66/80/21/523668021.db2.gz NXZZNVBYDKCTGH-SFHVURJKSA-N 0 0 434.380 5.369 50 0 IKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)c1C ZINC000020615473 523685275 /nfs/dbraw/zinc/68/52/75/523685275.db2.gz FZJRXEJMKGRDQD-UHFFFAOYSA-N 0 0 433.865 5.652 50 0 IKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000021625386 523698943 /nfs/dbraw/zinc/69/89/43/523698943.db2.gz RCDQNCCEGBAPCM-NRFANRHFSA-N 0 0 432.549 5.166 50 0 IKAARN CCc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cnc2cc(-c3ccccc3)nn21 ZINC000035707214 523700776 /nfs/dbraw/zinc/70/07/76/523700776.db2.gz OMYBOUHQZGQFAY-RUZDIDTESA-N 0 0 446.554 5.673 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000033122177 523712418 /nfs/dbraw/zinc/71/24/18/523712418.db2.gz ZAACIPUSNJPXHB-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN CCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1Nc1ccc(OC)c(Cl)c1 ZINC000015785818 523712771 /nfs/dbraw/zinc/71/27/71/523712771.db2.gz ZYDGODXIZIVADC-UHFFFAOYSA-N 0 0 425.895 5.131 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(Cl)ccc1OC)[C@@H]2c1ccccc1 ZINC000021047929 523717580 /nfs/dbraw/zinc/71/75/80/523717580.db2.gz FOVQSNGQXYVSKB-JOCHJYFZSA-N 0 0 440.996 6.461 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(SC)c1)[C@H]2c1ccc(F)cc1 ZINC000021049055 523718782 /nfs/dbraw/zinc/71/87/82/523718782.db2.gz KMUMTZIYMMLUFL-QFIPXVFZSA-N 0 0 440.609 6.660 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1OC)[C@H]2c1ccc(OC)cc1 ZINC000021048178 523718792 /nfs/dbraw/zinc/71/87/92/523718792.db2.gz ABABBEPSSYGDOB-QHCPKHFHSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(OC)cc1 ZINC000021048364 523718915 /nfs/dbraw/zinc/71/89/15/523718915.db2.gz IIBXABVODBJQES-DEOSSOPVSA-N 0 0 434.605 5.793 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1C(=O)OC)[C@H]2c1ccccc1 ZINC000021047876 523718990 /nfs/dbraw/zinc/71/89/90/523718990.db2.gz HUOXWBNSCGPZAE-QFIPXVFZSA-N 0 0 434.561 5.585 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(OC)cc(OC)c1)[C@@H]2c1ccccc1 ZINC000021048124 523719029 /nfs/dbraw/zinc/71/90/29/523719029.db2.gz PDQUYBSINOQLTC-HSZRJFAPSA-N 0 0 436.577 5.816 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc3c(c1)OCCO3)[C@H]2c1ccccc1 ZINC000021048166 523719296 /nfs/dbraw/zinc/71/92/96/523719296.db2.gz ZMQGHFQHJZRVFI-QHCPKHFHSA-N 0 0 434.561 5.570 50 0 IKAARN COc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1ccccn1 ZINC000012523270 523721716 /nfs/dbraw/zinc/72/17/16/523721716.db2.gz QIMQNDOROBUIEQ-HNNXBMFYSA-N 0 0 430.426 5.179 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C1CCCC1 ZINC000035965464 523736255 /nfs/dbraw/zinc/73/62/55/523736255.db2.gz HTDATXNHQPLFCN-UHFFFAOYSA-N 0 0 433.552 5.045 50 0 IKAARN COCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(C)c1)C(=O)[C@H]1CCCO1 ZINC000011910349 523742730 /nfs/dbraw/zinc/74/27/30/523742730.db2.gz PHCDCBHBYUHLIU-HSZRJFAPSA-N 0 0 438.955 5.018 50 0 IKAARN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1Cl ZINC000012352438 523745765 /nfs/dbraw/zinc/74/57/65/523745765.db2.gz KLWZVXJJWFOKQU-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1 ZINC000032960568 523750261 /nfs/dbraw/zinc/75/02/61/523750261.db2.gz NCBJMDFYYKVNCD-UHFFFAOYSA-N 0 0 447.538 6.072 50 0 IKAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(F)cc3F)cc2)cc1 ZINC000035928208 523752938 /nfs/dbraw/zinc/75/29/38/523752938.db2.gz HWMNTXBSNIZBKR-HSZRJFAPSA-N 0 0 440.471 5.004 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000035944254 523755295 /nfs/dbraw/zinc/75/52/95/523755295.db2.gz NSJBHFUMCGIAKP-VWLOTQADSA-N 0 0 449.639 5.670 50 0 IKAARN CC[C@H](C(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000035839502 523755635 /nfs/dbraw/zinc/75/56/35/523755635.db2.gz NUZFIDXEYIFZBC-YADHBBJMSA-N 0 0 448.513 5.680 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)c2)cc1 ZINC000035928030 523757153 /nfs/dbraw/zinc/75/71/53/523757153.db2.gz QNBQTPAVEAHMSY-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)c2)cc1 ZINC000035928255 523757743 /nfs/dbraw/zinc/75/77/43/523757743.db2.gz VNUZHUPHODKBTE-QHCPKHFHSA-N 0 0 440.471 5.004 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(F)cc3F)c2)cc1 ZINC000035928254 523757909 /nfs/dbraw/zinc/75/79/09/523757909.db2.gz VNUZHUPHODKBTE-HSZRJFAPSA-N 0 0 440.471 5.004 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2Sc2nc3ccc(Cl)cc3s2)cc1 ZINC000012340448 523761447 /nfs/dbraw/zinc/76/14/47/523761447.db2.gz GZRAHBZBLBKBIH-UHFFFAOYSA-N 0 0 426.950 6.362 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4nc5ccccc5s4)coc3c2C)cc1 ZINC000001317868 523774351 /nfs/dbraw/zinc/77/43/51/523774351.db2.gz CBGSTAFMJLFJOZ-UHFFFAOYSA-N 0 0 443.480 5.606 50 0 biogenic IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)cc1OC ZINC000015729508 523781430 /nfs/dbraw/zinc/78/14/30/523781430.db2.gz LPXREVLKQSWCQN-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000035314194 523787128 /nfs/dbraw/zinc/78/71/28/523787128.db2.gz IQEKHJQPRCLCHV-FLIBITNWSA-N 0 0 435.442 5.207 50 0 IKAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000036028438 523788026 /nfs/dbraw/zinc/78/80/26/523788026.db2.gz BTIOVRNJLWNXJJ-UHFFFAOYSA-N 0 0 438.641 5.336 50 0 IKAARN CC[C@H](C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C)cc1)c1ccccc1 ZINC000023457430 523797834 /nfs/dbraw/zinc/79/78/34/523797834.db2.gz HFUVBOBNEHWGMP-QHCPKHFHSA-N 0 0 429.951 6.633 50 0 IKAARN CC[C@H](C(=O)Nc1cc(C)nn1-c1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1 ZINC000012442357 523797951 /nfs/dbraw/zinc/79/79/51/523797951.db2.gz YRJHIHACYFQHIK-SFHVURJKSA-N 0 0 446.532 5.165 50 0 IKAARN COc1ccc(C)cc1-c1csc(NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)n1 ZINC000012783616 523797887 /nfs/dbraw/zinc/79/78/87/523797887.db2.gz YSDQPIBTOAAHFX-MQVJKMGUSA-N 0 0 446.663 5.678 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1 ZINC000035912184 523800816 /nfs/dbraw/zinc/80/08/16/523800816.db2.gz VGZCDXPOAWLNAB-CPJSRVTESA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1)c1ccccc1 ZINC000035928616 523802407 /nfs/dbraw/zinc/80/24/07/523802407.db2.gz HTAYMGXXBVVVBA-NVQXNPDNSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)ccc2F)c1)c1ccccc1 ZINC000035928052 523802653 /nfs/dbraw/zinc/80/26/53/523802653.db2.gz FLYDNXHMHZAXCS-LVXARBLLSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1)c1ccccc1 ZINC000035910347 523804221 /nfs/dbraw/zinc/80/42/21/523804221.db2.gz CKBODVNLFRWDGE-OZXSUGGESA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1)c1ccccc1 ZINC000035910871 523804969 /nfs/dbraw/zinc/80/49/69/523804969.db2.gz FSSGUWMWUKXIFW-JYFHCDHNSA-N 0 0 430.573 5.906 50 0 IKAARN COc1ccc(C)cc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000035910165 523819436 /nfs/dbraw/zinc/81/94/36/523819436.db2.gz IVKOZJKHPFCVSD-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C)cc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000035910158 523819662 /nfs/dbraw/zinc/81/96/62/523819662.db2.gz SAYOMCGFLJXJBK-XMMPIXPASA-N 0 0 436.508 5.174 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879765 523831649 /nfs/dbraw/zinc/83/16/49/523831649.db2.gz ICUUWDLFNSCMQL-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc(-c2nnc(Cc3ccc(C)cc3)o2)cc1 ZINC000021705570 523833133 /nfs/dbraw/zinc/83/31/33/523833133.db2.gz OGXPZDDSBADJTP-UHFFFAOYSA-N 0 0 428.492 5.597 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891465 523833587 /nfs/dbraw/zinc/83/35/87/523833587.db2.gz RLZVJNMUFHXGRN-DEOSSOPVSA-N 0 0 429.545 5.993 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000012567743 523839177 /nfs/dbraw/zinc/83/91/77/523839177.db2.gz TVFWSBMFKDJEAK-SANMLTNESA-N 0 0 440.547 5.001 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)n2ncnc2n1 ZINC000033122222 523841945 /nfs/dbraw/zinc/84/19/45/523841945.db2.gz IGXXPFXIQHZSAX-UHFFFAOYSA-N 0 0 442.907 5.274 50 0 IKAARN CCc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035477016 523843440 /nfs/dbraw/zinc/84/34/40/523843440.db2.gz MFJPYLGJDWOPSM-OAQYLSRUSA-N 0 0 448.617 6.233 50 0 IKAARN CCc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035477010 523844128 /nfs/dbraw/zinc/84/41/28/523844128.db2.gz SVLVUZYPNFACRW-QFIPXVFZSA-N 0 0 443.576 5.566 50 0 IKAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCC(C)CC2)N(CCC(C)C)C3=O)s1 ZINC000021526072 523846458 /nfs/dbraw/zinc/84/64/58/523846458.db2.gz AVFVWXXBKTXBML-ZQYQLRQTSA-N 0 0 443.657 5.221 50 0 IKAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)s1 ZINC000033078250 523850517 /nfs/dbraw/zinc/85/05/17/523850517.db2.gz SDMBJUHZORQTLY-ZDUSSCGKSA-N 0 0 434.487 5.128 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000033173648 523854526 /nfs/dbraw/zinc/85/45/26/523854526.db2.gz WIADKCHDYNORHR-CQSZACIVSA-N 0 0 438.471 5.005 50 0 IKAARN CCc1ccc(-c2nc3c(-c4ccc(Cl)cc4)c(COC)nn3c3c2CCCC3)cc1 ZINC000035325885 523862103 /nfs/dbraw/zinc/86/21/03/523862103.db2.gz NIUIAXAKQYTBHS-UHFFFAOYSA-N 0 0 431.967 6.304 50 0 IKAARN CCc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1 ZINC000032951341 523865123 /nfs/dbraw/zinc/86/51/23/523865123.db2.gz KNQZEPYJNKCUMB-UHFFFAOYSA-N 0 0 430.577 6.247 50 0 IKAARN COc1ccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)c(Br)c1 ZINC000020616084 523872910 /nfs/dbraw/zinc/87/29/10/523872910.db2.gz NQIAJKGCOFGBOU-CHHVJCJISA-N 0 0 427.081 5.109 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1OC ZINC000012193188 523879589 /nfs/dbraw/zinc/87/95/89/523879589.db2.gz HHHQUJJJCOQYRW-YIXXDRMTSA-N 0 0 442.559 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000012193407 523879847 /nfs/dbraw/zinc/87/98/47/523879847.db2.gz BPXVUADICNNCFX-YIXXDRMTSA-N 0 0 428.532 6.070 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000035982176 523880001 /nfs/dbraw/zinc/88/00/01/523880001.db2.gz LWTDUWPNTJNGAZ-NLFFAJNJSA-N 0 0 434.467 5.094 50 0 IKAARN CCc1ccc(C(=O)N2CCN(c3nc(-c4cccc(C)c4)nc(C)c3C(C)C)CC2)cc1 ZINC000035889923 523886638 /nfs/dbraw/zinc/88/66/38/523886638.db2.gz DUYGCBRLLGPZPR-UHFFFAOYSA-N 0 0 442.607 5.409 50 0 IKAARN COCCN1c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2Sc2ccccc2C1=O ZINC000021355451 523889005 /nfs/dbraw/zinc/88/90/05/523889005.db2.gz WQCQGNOIGKBOAN-UHFFFAOYSA-N 0 0 432.545 5.314 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)cc1 ZINC000035910480 523895967 /nfs/dbraw/zinc/89/59/67/523895967.db2.gz QKZVETAGNMXHBC-MHZLTWQESA-N 0 0 444.600 6.403 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cc(C)cc(C)c3)c2)cc1 ZINC000035928688 523896196 /nfs/dbraw/zinc/89/61/96/523896196.db2.gz XSXWEUKACRSWFK-AREMUKBSSA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cc(F)ccc3F)cc2)cc1 ZINC000035925253 523896275 /nfs/dbraw/zinc/89/62/75/523896275.db2.gz NOINVJCQQZCHTH-XMMPIXPASA-N 0 0 438.499 5.558 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000035928251 523896986 /nfs/dbraw/zinc/89/69/86/523896986.db2.gz UVMAPRWXZBSHHQ-DEOSSOPVSA-N 0 0 438.499 5.558 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccc(C)cc2C)cc1 ZINC000035912208 523897421 /nfs/dbraw/zinc/89/74/21/523897421.db2.gz KHESBLRXPVZSGW-AREMUKBSSA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2nnc(SCc3nnc(-c4ccccc4C)o3)s2)cc1 ZINC000021359279 523897596 /nfs/dbraw/zinc/89/75/96/523897596.db2.gz WWKCGWJURQTATN-UHFFFAOYSA-N 0 0 437.550 5.004 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2cc(C)ccc2OC)cc1 ZINC000035910176 523897893 /nfs/dbraw/zinc/89/78/93/523897893.db2.gz BMXHWTXSPDSYBK-SANMLTNESA-N 0 0 446.572 5.597 50 0 IKAARN COc1ccc(CC2=NC(c3ccccc3)(c3ccccc3)c3ccccc3O2)cc1OC ZINC000016134227 523914281 /nfs/dbraw/zinc/91/42/81/523914281.db2.gz UXJZQXUMFUZTCN-UHFFFAOYSA-N 0 0 435.523 6.029 50 0 IKAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844782 523924683 /nfs/dbraw/zinc/92/46/83/523924683.db2.gz HUJVVKMBCOAHLD-NRFANRHFSA-N 0 0 436.571 5.599 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc(N3Cc4ccccc4Oc4ncccc43)s2)cc1 ZINC000020597642 523939766 /nfs/dbraw/zinc/93/97/66/523939766.db2.gz PNCKUYMEANXYSV-UHFFFAOYSA-N 0 0 441.556 6.080 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CC1 ZINC000035976569 523940203 /nfs/dbraw/zinc/94/02/03/523940203.db2.gz JCAMGIVTWAJRSS-SFHVURJKSA-N 0 0 433.552 5.519 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C(C)C ZINC000035976548 523940601 /nfs/dbraw/zinc/94/06/01/523940601.db2.gz SLGODRSEJHTCCE-IBGZPJMESA-N 0 0 435.568 5.765 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C1CC1 ZINC000035976846 523941028 /nfs/dbraw/zinc/94/10/28/523941028.db2.gz QFPHSGYKWKJMMV-SFHVURJKSA-N 0 0 433.552 5.519 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000035945186 523941982 /nfs/dbraw/zinc/94/19/82/523941982.db2.gz VNPRLUCRNURLDW-SFHVURJKSA-N 0 0 439.575 5.461 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)COc1cc2ccccc2cc1C(=O)OC ZINC000012771782 523953102 /nfs/dbraw/zinc/95/31/02/523953102.db2.gz CSIJKKXSHGGONV-UHFFFAOYSA-N 0 0 425.912 5.422 50 0 IKAARN CCc1ccc(Cn2ccc3c2ccc(OC(=O)N(CC)CC)c3-c2ccc(C)cc2)cc1 ZINC000023461538 523955142 /nfs/dbraw/zinc/95/51/42/523955142.db2.gz IBLVHUCLVIHOKS-UHFFFAOYSA-N 0 0 440.587 7.068 50 0 IKAARN COc1ccc(CCNC(=O)CC23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1OC ZINC000012719668 523955597 /nfs/dbraw/zinc/95/55/97/523955597.db2.gz GVDXVCXUDCIHJF-LDCALFFHSA-N 0 0 433.592 5.291 50 0 IKAARN CCc1ccc(N(CC)C(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000020508806 523961204 /nfs/dbraw/zinc/96/12/04/523961204.db2.gz FZAKIGDJAUWBAU-UHFFFAOYSA-N 0 0 426.516 5.228 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000035912410 523961894 /nfs/dbraw/zinc/96/18/94/523961894.db2.gz HIPJXUIJGPXOTG-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN COc1ccc(CCNC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)cc1 ZINC000012249715 523972212 /nfs/dbraw/zinc/97/22/12/523972212.db2.gz DYXYAJFTNYSMHQ-UHFFFAOYSA-N 0 0 437.952 5.180 50 0 IKAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000015770940 523972988 /nfs/dbraw/zinc/97/29/88/523972988.db2.gz WKPUDLDFSKUUGW-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN CCc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccc(OC)cc3)CC2=O)cc1 ZINC000020355830 523973246 /nfs/dbraw/zinc/97/32/46/523973246.db2.gz NFGKZVBOUZOQRX-XMMPIXPASA-N 0 0 446.572 5.466 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)cc1 ZINC000013361669 523973951 /nfs/dbraw/zinc/97/39/51/523973951.db2.gz SIZONOPXJCYRMG-UHFFFAOYSA-N 0 0 431.536 5.653 50 0 IKAARN CC[C@H](C)NC(=O)C[C@H](c1cn(CC)c2ccccc12)c1cccc(Oc2ccccc2)c1 ZINC000035872194 523975953 /nfs/dbraw/zinc/97/59/53/523975953.db2.gz XGJSZSNEXYKIQD-LVXARBLLSA-N 0 0 440.587 6.890 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccc(F)cc2)CCCC4)cc1 ZINC000021048419 523982913 /nfs/dbraw/zinc/98/29/13/523982913.db2.gz IDMGSJORSIAZQH-DEOSSOPVSA-N 0 0 434.580 6.508 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000021536046 523983523 /nfs/dbraw/zinc/98/35/23/523983523.db2.gz KNRZFVPKHYDXAT-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)cc1 ZINC000033009584 523986576 /nfs/dbraw/zinc/98/65/76/523986576.db2.gz LDEUQHZZGMPHAZ-UHFFFAOYSA-N 0 0 442.563 6.136 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000021795519 523986902 /nfs/dbraw/zinc/98/69/02/523986902.db2.gz QSIQLKKUPWQVIO-UHFFFAOYSA-N 0 0 430.556 5.725 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 ZINC000012624871 523987724 /nfs/dbraw/zinc/98/77/24/523987724.db2.gz DAGUFHAEYSXVRN-CQSZACIVSA-N 0 0 436.558 5.771 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000020862333 523987789 /nfs/dbraw/zinc/98/77/89/523987789.db2.gz OCIQXNJIFYAXMZ-GOSISDBHSA-N 0 0 443.576 5.070 50 0 IKAARN COc1ccc(CN(C(=O)c2cc(-c3ccccc3)no2)C2CCCC2)cc1OC(C)C ZINC000012036699 523990601 /nfs/dbraw/zinc/99/06/01/523990601.db2.gz KBJWOSLHFPAGNM-UHFFFAOYSA-N 0 0 434.536 5.722 50 0 IKAARN COc1ccc(CN(C(=O)c2ccc(C)cc2)C2CCCC2)cc1OCc1cccs1 ZINC000012329444 523990781 /nfs/dbraw/zinc/99/07/81/523990781.db2.gz YCGSPQBMUKSZLO-UHFFFAOYSA-N 0 0 435.589 6.229 50 0 IKAARN COc1ccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)cc1OCCc1ccccn1 ZINC000012243555 523991152 /nfs/dbraw/zinc/99/11/52/523991152.db2.gz KZXHPAXVUXQQNY-UHFFFAOYSA-N 0 0 436.939 5.170 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc1 ZINC000015682219 523992512 /nfs/dbraw/zinc/99/25/12/523992512.db2.gz MNXUJQJUSIANRZ-UHFFFAOYSA-N 0 0 428.557 6.757 50 0 IKAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C ZINC000012859261 524001620 /nfs/dbraw/zinc/00/16/20/524001620.db2.gz TXCLQMKSALKHQJ-ZDUSSCGKSA-N 0 0 438.597 5.386 50 0 IKAARN CCc1ccc(OCc2nnc(S[C@H]3CCCCC3=O)n2[C@H](C)c2ccccc2)cc1 ZINC000013121237 524007584 /nfs/dbraw/zinc/00/75/84/524007584.db2.gz FCDYBSRFBNFXOQ-JPYJTQIMSA-N 0 0 435.593 5.633 50 0 IKAARN CCc1ccc(Oc2cc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)ncn2)cc1 ZINC000035528197 524009381 /nfs/dbraw/zinc/00/93/81/524009381.db2.gz MOSLKCRWLZKIFJ-UHFFFAOYSA-N 0 0 430.552 5.303 50 0 IKAARN COc1ccc(CN(Cn2nc(-c3ccccc3Br)[nH]c2=S)C2CC2)cc1 ZINC000012910559 524015554 /nfs/dbraw/zinc/01/55/54/524015554.db2.gz DBHJHROVDSDKBB-UHFFFAOYSA-N 0 0 445.386 5.001 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3CC)cc2)cc1 ZINC000021664272 524017320 /nfs/dbraw/zinc/01/73/20/524017320.db2.gz LOCCMZSIBXUEJW-UHFFFAOYSA-N 0 0 433.577 5.205 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1c(C)cccc1C(C)C ZINC000014739310 524022012 /nfs/dbraw/zinc/02/20/12/524022012.db2.gz SCLRGEHVRGBRBN-UHFFFAOYSA-N 0 0 442.515 5.176 50 0 IKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000021785442 524024230 /nfs/dbraw/zinc/02/42/30/524024230.db2.gz DGWKLOYKZSFINP-UHFFFAOYSA-N 0 0 433.554 6.034 50 0 IKAARN COc1ccc(CN2CCN(C(=O)c3ccccc3SCc3ccsc3)CC2)cc1 ZINC000022385654 524031139 /nfs/dbraw/zinc/03/11/39/524031139.db2.gz SWXHFGCZJFGTLH-UHFFFAOYSA-N 0 0 438.618 5.007 50 0 IKAARN CCc1ccc([C@@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@@H]3c3[nH]c4ccccc4c32)cc1 ZINC000012884760 524038883 /nfs/dbraw/zinc/03/88/83/524038883.db2.gz KNHKMDWJHCJIQX-RXFWQSSRSA-N 0 0 438.527 5.438 50 0 biogenic IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000021892954 524041219 /nfs/dbraw/zinc/04/12/19/524041219.db2.gz YLAXTZVBDANBFX-MUUNZHRXSA-N 0 0 435.571 6.794 50 0 IKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000012531840 524043000 /nfs/dbraw/zinc/04/30/00/524043000.db2.gz MRZZBDNEDHKMTJ-UHFFFAOYSA-N 0 0 445.437 5.415 50 0 IKAARN COc1ccc(CN2c3sc4c(c3C(=O)N[C@@H]2c2ccccc2)CCCC4)cc1OC ZINC000021147847 524043716 /nfs/dbraw/zinc/04/37/16/524043716.db2.gz QLSAHNZCZNWLCS-QHCPKHFHSA-N 0 0 434.561 5.093 50 0 IKAARN CCc1ccc([C@H]2CN3C(=O)N(c4cccc(C)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012878190 524055944 /nfs/dbraw/zinc/05/59/44/524055944.db2.gz JHWSJHRBDQEFMX-BTYSJIOQSA-N 0 0 449.554 5.868 50 0 biogenic IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000021892969 524056641 /nfs/dbraw/zinc/05/66/41/524056641.db2.gz HKXPVNXOUDUUMH-NDEPHWFRSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000021892951 524056672 /nfs/dbraw/zinc/05/66/72/524056672.db2.gz YLAXTZVBDANBFX-NDEPHWFRSA-N 0 0 435.571 6.794 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021536658 524056704 /nfs/dbraw/zinc/05/67/04/524056704.db2.gz SZXMMDUIDHQSAN-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(C)cc2)cc1 ZINC000021893128 524056800 /nfs/dbraw/zinc/05/68/00/524056800.db2.gz FKMJRGDDUODXJC-NDEPHWFRSA-N 0 0 435.571 6.163 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000021893069 524056860 /nfs/dbraw/zinc/05/68/60/524056860.db2.gz WHHMARSOODFQCR-MHZLTWQESA-N 0 0 439.534 6.624 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000021536689 524056939 /nfs/dbraw/zinc/05/69/39/524056939.db2.gz IXUNHUIYEXCDLJ-SANMLTNESA-N 0 0 443.497 6.455 50 0 IKAARN CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3OC)c2c1 ZINC000012894497 524060688 /nfs/dbraw/zinc/06/06/88/524060688.db2.gz CETTZSASKUTADQ-UHFFFAOYSA-N 0 0 439.467 6.030 50 0 biogenic IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000001159214 524063762 /nfs/dbraw/zinc/06/37/62/524063762.db2.gz UOWXMXFUAKKVMW-UHFFFAOYSA-N 0 0 435.380 5.391 50 0 IKAARN COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000033085607 524065129 /nfs/dbraw/zinc/06/51/29/524065129.db2.gz VMEJZTYBTYENBX-UHFFFAOYSA-N 0 0 448.526 5.539 50 0 IKAARN CCc1cccc(C)c1NC(=S)N(Cc1cn(CC)c2ccccc12)Cc1ccccc1 ZINC000020676371 524066312 /nfs/dbraw/zinc/06/63/12/524066312.db2.gz BFVOIGZIQBMCCK-UHFFFAOYSA-N 0 0 441.644 6.931 50 0 IKAARN COc1ccc(CNC(=O)c2ccc(Nc3ncc(-c4ccc(Cl)cc4)s3)cc2)cc1 ZINC000021151204 524066596 /nfs/dbraw/zinc/06/65/96/524066596.db2.gz GAMOZPSURUIYCJ-UHFFFAOYSA-N 0 0 449.963 6.146 50 0 IKAARN CCc1cccc(N(C(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)c2nc3ccccc3s2)c1 ZINC000012690865 524070905 /nfs/dbraw/zinc/07/09/05/524070905.db2.gz JYNMSMFHCRRVCN-SFHVURJKSA-N 0 0 444.556 6.194 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@@H](CC)c3ccccc3)cc2)c1 ZINC000035928723 524071360 /nfs/dbraw/zinc/07/13/60/524071360.db2.gz GMGIGSLMJCFHQS-RPLLCQBOSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3ccc(OC)cc3)c2)c1 ZINC000035928768 524071506 /nfs/dbraw/zinc/07/15/06/524071506.db2.gz HNTBWKHXJMJBRO-AREMUKBSSA-N 0 0 446.572 5.217 50 0 IKAARN CCc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902830 524071514 /nfs/dbraw/zinc/07/15/14/524071514.db2.gz NINMBUCFVGVJSD-MHZLTWQESA-N 0 0 429.564 5.072 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 ZINC000012818555 524088342 /nfs/dbraw/zinc/08/83/42/524088342.db2.gz XRLVRBYWKWTZHL-LJQANCHMSA-N 0 0 428.561 5.369 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 ZINC000012818559 524088626 /nfs/dbraw/zinc/08/86/26/524088626.db2.gz XRLVRBYWKWTZHL-IBGZPJMESA-N 0 0 428.561 5.369 50 0 IKAARN COc1cccc([C@@H](CC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)c1OC ZINC000035910711 524093423 /nfs/dbraw/zinc/09/34/23/524093423.db2.gz VCGPHEQQKXSIQH-OAQYLSRUSA-N 0 0 432.495 5.163 50 0 IKAARN COc1cccc([C@@H](CC(=O)Nc2ccc(C)c(C)c2)c2c[nH]c3ccccc32)c1OC ZINC000035910664 524096093 /nfs/dbraw/zinc/09/60/93/524096093.db2.gz UDGZKTRDMYPZGS-JOCHJYFZSA-N 0 0 428.532 5.963 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4)n3)nc2c1 ZINC000021721409 524096768 /nfs/dbraw/zinc/09/67/68/524096768.db2.gz XEWDDTVCDIVKDK-UHFFFAOYSA-N 0 0 428.901 5.036 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S(=O)(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000021117715 524103305 /nfs/dbraw/zinc/10/33/05/524103305.db2.gz FIXZNKXZBQAURE-UHFFFAOYSA-N 0 0 434.561 5.762 50 0 IKAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000020444261 524105670 /nfs/dbraw/zinc/10/56/70/524105670.db2.gz PODQHCAGGBSDNH-UHFFFAOYSA-N 0 0 430.508 5.145 50 0 IKAARN C[C@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3n2)C1 ZINC000022714784 524106141 /nfs/dbraw/zinc/10/61/41/524106141.db2.gz YOZBYWNHRKNPPM-INIZCTEOSA-N 0 0 443.469 5.507 50 0 IKAARN Cc1ccc(C)c(CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2CC(C)C)c1 ZINC000033076971 524107595 /nfs/dbraw/zinc/10/75/95/524107595.db2.gz TXEPVSDIQKYFRR-UHFFFAOYSA-N 0 0 437.609 5.100 50 0 IKAARN Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)/C=C/c3cc(F)cc(F)c3)C2)c1 ZINC000011979298 524109678 /nfs/dbraw/zinc/10/96/78/524109678.db2.gz SISDRTOQNVZLIV-SHBDEGQCSA-N 0 0 433.502 5.458 50 0 IKAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccc(C(C)C)cc4)C3)nn2)c1 ZINC000035398320 524111221 /nfs/dbraw/zinc/11/12/21/524111221.db2.gz GDNTVGDMIBOBDV-DEOSSOPVSA-N 0 0 428.580 5.108 50 0 IKAARN COc1cccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)c1OC(C)C ZINC000020851419 524114851 /nfs/dbraw/zinc/11/48/51/524114851.db2.gz DTIMRGFXFISWFS-KRWDZBQOSA-N 0 0 440.337 5.872 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2Cl)c1 ZINC000012901054 524116218 /nfs/dbraw/zinc/11/62/18/524116218.db2.gz PXXBRKGHDLWVRK-UHFFFAOYSA-N 0 0 435.380 5.272 50 0 IKAARN Cc1ccc(C)c(N(C)C(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021915217 524116485 /nfs/dbraw/zinc/11/64/85/524116485.db2.gz OJFRYVKHBMSKLI-UHFFFAOYSA-N 0 0 427.548 5.417 50 0 IKAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)c1 ZINC000035889932 524117086 /nfs/dbraw/zinc/11/70/86/524117086.db2.gz SUKVNWVZSQMQSY-UHFFFAOYSA-N 0 0 448.998 5.500 50 0 IKAARN C[C@@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 ZINC000017245323 524117513 /nfs/dbraw/zinc/11/75/13/524117513.db2.gz BHMSXMWLKZVLTC-MRXNPFEDSA-N 0 0 443.469 5.650 50 0 IKAARN Cc1ccc(C)c(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2Cl)c1 ZINC000035910190 524120133 /nfs/dbraw/zinc/12/01/33/524120133.db2.gz LSZJPOPNORDYOF-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526507 524122412 /nfs/dbraw/zinc/12/24/12/524122412.db2.gz GMRYNQLFCPAZRP-AREMUKBSSA-N 0 0 433.552 5.109 50 0 IKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nnc(-c5ccco5)s4)cc3)o2)c1 ZINC000012917971 524123815 /nfs/dbraw/zinc/12/38/15/524123815.db2.gz ZLFFJELBVIFRMA-UHFFFAOYSA-N 0 0 429.461 5.076 50 0 IKAARN Cc1ccc(C)c(N2CCN(C(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)CC2)c1 ZINC000020465895 524125038 /nfs/dbraw/zinc/12/50/38/524125038.db2.gz CTJWIOGZGRXITK-UHFFFAOYSA-N 0 0 444.604 5.283 50 0 IKAARN Cc1cccc(-c2nnc(S[C@H](C(=O)NC3CC3)c3ccccc3)n2Cc2ccco2)c1 ZINC000012695956 524127853 /nfs/dbraw/zinc/12/78/53/524127853.db2.gz LAVQTGXJLWQQBL-QFIPXVFZSA-N 0 0 444.560 5.007 50 0 IKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)c1 ZINC000012600846 524127912 /nfs/dbraw/zinc/12/79/12/524127912.db2.gz AQHKIHRFLKSRRK-ZIAGYGMSSA-N 0 0 438.578 6.135 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000035840125 524129897 /nfs/dbraw/zinc/12/98/97/524129897.db2.gz CZOOKEZFJZRIEB-UHFFFAOYSA-N 0 0 441.478 6.254 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1OC ZINC000012196346 524131425 /nfs/dbraw/zinc/13/14/25/524131425.db2.gz OVQJWZVQCJAZKM-VGSWGCGISA-N 0 0 426.925 5.661 50 0 IKAARN Cc1cccc(-c2noc(CSc3ccc(-c4ccc(Br)cc4)nn3)n2)c1 ZINC000033022036 524133617 /nfs/dbraw/zinc/13/36/17/524133617.db2.gz ZDCCGFJWCGBULP-UHFFFAOYSA-N 0 0 439.338 5.557 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccccc2Cl)c1 ZINC000012902354 524134835 /nfs/dbraw/zinc/13/48/35/524134835.db2.gz TVNVLMVYZPXCOP-UHFFFAOYSA-N 0 0 436.939 5.247 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)c1OC ZINC000012432146 524135981 /nfs/dbraw/zinc/13/59/81/524135981.db2.gz WUHBTFNXUOCBFP-RUZDIDTESA-N 0 0 426.516 5.281 50 0 IKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2OC)c1 ZINC000021888537 524136050 /nfs/dbraw/zinc/13/60/50/524136050.db2.gz RLOHWPPNMMPIPZ-RUZDIDTESA-N 0 0 427.504 5.365 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1c2cc(C(C)(C)C)ccc2O/C(=C\c2ccccc2)C1=O ZINC000020727487 524137142 /nfs/dbraw/zinc/13/71/42/524137142.db2.gz DMOJFIRTXGGCQE-ILBFTRALSA-N 0 0 446.591 5.446 50 0 IKAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCc2cn3cc(Cl)ccc3n2)c1C ZINC000012624011 524137489 /nfs/dbraw/zinc/13/74/89/524137489.db2.gz NKUKAAHEEFKIBF-UHFFFAOYSA-N 0 0 446.963 5.596 50 0 IKAARN Cc1ccc(C)c(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000012772921 524138655 /nfs/dbraw/zinc/13/86/55/524138655.db2.gz MXOIEPPIRHGJHP-UHFFFAOYSA-N 0 0 444.556 5.439 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2C(F)(F)F)c1 ZINC000035840028 524138930 /nfs/dbraw/zinc/13/89/30/524138930.db2.gz BUEGKBQQKPIJOD-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN Cc1cccc(-n2nc3nc(NC4CCCCC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000035925719 524145911 /nfs/dbraw/zinc/14/59/11/524145911.db2.gz ASYXOYKTEMRSKC-UHFFFAOYSA-N 0 0 432.959 5.771 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000021888658 524147522 /nfs/dbraw/zinc/14/75/22/524147522.db2.gz ZSNQTXXHEANKDR-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2)c1 ZINC000034890952 524156793 /nfs/dbraw/zinc/15/67/93/524156793.db2.gz QTGJWRYSSGTROF-BUOWTUAJSA-N 0 0 437.499 5.183 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)c1 ZINC000033126805 524156999 /nfs/dbraw/zinc/15/69/99/524156999.db2.gz SZZJAMYVQRFZRO-UHFFFAOYSA-N 0 0 428.532 5.349 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 ZINC000024221536 524159394 /nfs/dbraw/zinc/15/93/94/524159394.db2.gz XUCCZPVPICCUIS-UHFFFAOYSA-N 0 0 427.348 5.779 50 0 IKAARN Cc1cccc(C(=O)N(Cc2nc3cc(Cl)ccc3o2)Cc2cccc(Cl)c2)c1 ZINC000023450546 524166215 /nfs/dbraw/zinc/16/62/15/524166215.db2.gz WPASAFVECJPGKH-UHFFFAOYSA-N 0 0 425.315 6.286 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)s2)cc1 ZINC000016193100 524168705 /nfs/dbraw/zinc/16/87/05/524168705.db2.gz JXCNKQBDSQVPSW-UHFFFAOYSA-N 0 0 429.545 5.298 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000020731133 524171484 /nfs/dbraw/zinc/17/14/84/524171484.db2.gz LVVDXTGRKMFDRK-FOIQADDNSA-N 0 0 427.470 6.306 50 0 IKAARN COc1cccc([C@H]2CCCCN2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012315505 524175600 /nfs/dbraw/zinc/17/56/00/524175600.db2.gz HVTRCFBHQZGFCT-OAQYLSRUSA-N 0 0 440.927 5.768 50 0 IKAARN COc1ccc(Cl)c(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000020737757 524184426 /nfs/dbraw/zinc/18/44/26/524184426.db2.gz AVZJHTVFZSZDQU-QGZVFWFLSA-N 0 0 431.279 5.037 50 0 IKAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000020727059 524184787 /nfs/dbraw/zinc/18/47/87/524184787.db2.gz VCJXTFYXDVMAJS-KRWDZBQOSA-N 0 0 431.279 5.037 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000015732108 524187815 /nfs/dbraw/zinc/18/78/15/524187815.db2.gz DQMOOTCNORFBET-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)c1OC ZINC000012714493 524188507 /nfs/dbraw/zinc/18/85/07/524188507.db2.gz FSPFKICKGZXTSP-DEOSSOPVSA-N 0 0 430.479 5.112 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)cc2)c1 ZINC000020539139 524188753 /nfs/dbraw/zinc/18/87/53/524188753.db2.gz DSQAQLYBYFTLQQ-MHZLTWQESA-N 0 0 425.532 5.283 50 0 IKAARN COc1cccc([C@H]2c3cccn3CCN2C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000035818881 524190691 /nfs/dbraw/zinc/19/06/91/524190691.db2.gz XPJGAXWMPBYSEE-SANMLTNESA-N 0 0 431.580 6.381 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Oc3cccc4ccc(C)nc43)cc2)c1 ZINC000012568071 524196501 /nfs/dbraw/zinc/19/65/01/524196501.db2.gz QGKRQNNFLBTMFJ-UHFFFAOYSA-N 0 0 447.512 5.147 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000012442011 524200266 /nfs/dbraw/zinc/20/02/66/524200266.db2.gz MBWQIBRHLRDRCR-UHFFFAOYSA-N 0 0 442.903 5.358 50 0 IKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)c1 ZINC000012935502 524201636 /nfs/dbraw/zinc/20/16/36/524201636.db2.gz UTPKCKRGJHPOQD-UHFFFAOYSA-N 0 0 434.561 5.539 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)NCc3ccc(F)cc3)c2)c1 ZINC000033009281 524215256 /nfs/dbraw/zinc/21/52/56/524215256.db2.gz SOWFLCHSJGCXCY-UHFFFAOYSA-N 0 0 446.526 5.308 50 0 IKAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000016213576 524216606 /nfs/dbraw/zinc/21/66/06/524216606.db2.gz VJJMCXZFWZIQHU-DDBVPJQNSA-N 0 0 443.930 5.093 50 0 IKAARN Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(Br)o3)nc21 ZINC000022889623 524217382 /nfs/dbraw/zinc/21/73/82/524217382.db2.gz XBQKBBIBRWHWJB-CYBMUJFWSA-N 0 0 435.343 5.094 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000033255288 524231151 /nfs/dbraw/zinc/23/11/51/524231151.db2.gz HUMGWJIFWZEYAZ-UHFFFAOYSA-N 0 0 447.322 5.464 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CSC(=S)N3CCCC3)[C@H](c3ccccc3)C2)cc1C ZINC000035920423 524233220 /nfs/dbraw/zinc/23/32/20/524233220.db2.gz NTHVFJGJGXMHQA-QFIPXVFZSA-N 0 0 437.634 5.095 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890842 524233873 /nfs/dbraw/zinc/23/38/73/524233873.db2.gz OLIPANICVKTNSE-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000012193906 524234328 /nfs/dbraw/zinc/23/43/28/524234328.db2.gz WBNUNZYJBJRCDJ-FYYLOGMGSA-N 0 0 443.761 7.198 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccc(F)c3)C2)cc1 ZINC000035473554 524234819 /nfs/dbraw/zinc/23/48/19/524234819.db2.gz PUJVTGPSVWRCJI-JOCHJYFZSA-N 0 0 438.449 5.248 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CCCC3)C2)cc1 ZINC000035835182 524235271 /nfs/dbraw/zinc/23/52/71/524235271.db2.gz ZZXBINSGTYVOFC-JOCHJYFZSA-N 0 0 444.497 5.726 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000022504551 524237661 /nfs/dbraw/zinc/23/76/61/524237661.db2.gz IGLGTODMLVUFIA-UHFFFAOYSA-N 0 0 441.940 5.647 50 0 IKAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)C1 ZINC000012753257 524239053 /nfs/dbraw/zinc/23/90/53/524239053.db2.gz LPMFHYFBJPQQBP-OAHLLOKOSA-N 0 0 433.668 5.496 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(C)n(-c3ccccc3)c(=O)c2c1 ZINC000022497538 524239150 /nfs/dbraw/zinc/23/91/50/524239150.db2.gz XCIKRZPIVSCZHJ-UHFFFAOYSA-N 0 0 434.883 5.000 50 0 IKAARN COc1ccc(Cl)cc1NC(=S)N(Cc1cn(C)c2ccccc12)C1CCCC1 ZINC000020212617 524241643 /nfs/dbraw/zinc/24/16/43/524241643.db2.gz WBXXVDQAUICYHR-UHFFFAOYSA-N 0 0 428.001 5.982 50 0 IKAARN COc1cccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000012193318 524246803 /nfs/dbraw/zinc/24/68/03/524246803.db2.gz VJYHOXGJQWDJRY-ZEQKJWHPSA-N 0 0 446.978 6.888 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734549 524247144 /nfs/dbraw/zinc/24/71/44/524247144.db2.gz TWDCPQZWTOWLMQ-MXJLDLDKSA-N 0 0 446.547 5.662 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000016225971 524248029 /nfs/dbraw/zinc/24/80/29/524248029.db2.gz NRKVFDFODNNQKG-SZPZYZBQSA-N 0 0 428.576 5.189 50 0 IKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@H]21 ZINC000012660933 524248767 /nfs/dbraw/zinc/24/87/67/524248767.db2.gz ILMDZPHZUORDBY-XXBNENTESA-N 0 0 447.362 5.831 50 0 biogenic IKAARN COc1cccc2ccc(/C=C/c3cc(Cl)cc(Br)c3OC(C)=O)nc21 ZINC000012379970 524261532 /nfs/dbraw/zinc/26/15/32/524261532.db2.gz SATGXBNFTBDCKJ-VQHVLOKHSA-N 0 0 432.701 5.755 50 0 IKAARN COc1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 ZINC000020636910 524266516 /nfs/dbraw/zinc/26/65/16/524266516.db2.gz MNCIVZWFBKWLTI-UHFFFAOYSA-N 0 0 443.761 7.234 50 0 IKAARN COc1ccccc1-c1cc(CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)no1 ZINC000036012509 524267195 /nfs/dbraw/zinc/26/71/95/524267195.db2.gz WQXGPTXSVKFFOB-UHFFFAOYSA-N 0 0 434.442 5.471 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000012691208 524284800 /nfs/dbraw/zinc/28/48/00/524284800.db2.gz AQRJGBMONQPKIK-OAQYLSRUSA-N 0 0 429.545 5.587 50 0 IKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908790 524287317 /nfs/dbraw/zinc/28/73/17/524287317.db2.gz COFRIZKWURQCRM-JOCHJYFZSA-N 0 0 429.495 6.620 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)Nc1cccc(SC)c1 ZINC000020894331 524287613 /nfs/dbraw/zinc/28/76/13/524287613.db2.gz DBWKHPCGQUELHP-UHFFFAOYSA-N 0 0 429.545 5.581 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c(C)c1 ZINC000016994023 524290402 /nfs/dbraw/zinc/29/04/02/524290402.db2.gz RPWBRYNHGBPPGQ-UHFFFAOYSA-N 0 0 436.968 5.706 50 0 IKAARN COc1ccccc1-c1nnc(SC[C@@H](O)c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000012522408 524290648 /nfs/dbraw/zinc/29/06/48/524290648.db2.gz CHISZWNPWPOJMV-HXUWFJFHSA-N 0 0 437.952 5.422 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)c(C)c1 ZINC000012790036 524301607 /nfs/dbraw/zinc/30/16/07/524301607.db2.gz KTPZCWCKBRGYBV-CQSZACIVSA-N 0 0 446.370 5.544 50 0 IKAARN COc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1cccs1 ZINC000012536628 524301799 /nfs/dbraw/zinc/30/17/99/524301799.db2.gz DBDZGIORNOCLLA-CYBMUJFWSA-N 0 0 427.555 5.364 50 0 IKAARN COc1ccccc1-n1c2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020603269 524302567 /nfs/dbraw/zinc/30/25/67/524302567.db2.gz QRFCHNGDWRDNBC-UHFFFAOYSA-N 0 0 435.452 5.199 50 0 IKAARN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(Cl)c1 ZINC000014669575 524305691 /nfs/dbraw/zinc/30/56/91/524305691.db2.gz KMNCUNQYJDPGFX-UHFFFAOYSA-N 0 0 428.941 5.034 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000009669421 524306113 /nfs/dbraw/zinc/30/61/13/524306113.db2.gz KCUIOQAOFITILK-QHCPKHFHSA-N 0 0 444.560 5.365 50 0 IKAARN COc1ccccc1/C=C(\C(=O)OCC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000033527571 524312151 /nfs/dbraw/zinc/31/21/51/524312151.db2.gz NYWCYIKKNRHPMO-QJOMJCCJSA-N 0 0 429.516 5.541 50 0 IKAARN C[C@H](CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)c1ccccc1 ZINC000021526569 524312205 /nfs/dbraw/zinc/31/22/05/524312205.db2.gz QUKJMIZHXAIISN-XHCCPWGMSA-N 0 0 447.579 5.092 50 0 IKAARN Cc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)cc1 ZINC000020735145 524334040 /nfs/dbraw/zinc/33/40/40/524334040.db2.gz VJIPOHADYSJJLU-HZHRSRAPSA-N 0 0 448.975 5.706 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NCc4ccccc4C)cc3)c2n1 ZINC000020992953 524342270 /nfs/dbraw/zinc/34/22/70/524342270.db2.gz NWEOOYWKZRQJAP-UHFFFAOYSA-N 0 0 449.558 5.126 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)N(C)c1ccccc1)c2NC(=O)c1ccc(F)cc1 ZINC000012446498 524347928 /nfs/dbraw/zinc/34/79/28/524347928.db2.gz JNFFRZXVSPFHNZ-UHFFFAOYSA-N 0 0 433.508 5.581 50 0 IKAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000020939303 524348896 /nfs/dbraw/zinc/34/88/96/524348896.db2.gz GCOYCNBTWPKJFT-UHFFFAOYSA-N 0 0 436.512 5.234 50 0 IKAARN Cc1cc(C)cc(-n2c(SCC(=O)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)c1 ZINC000017011002 524357006 /nfs/dbraw/zinc/35/70/06/524357006.db2.gz VTUOUORYJXTYES-UHFFFAOYSA-N 0 0 439.540 5.459 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)c3c(F)cccc3F)C2=O)c1 ZINC000034735273 524383900 /nfs/dbraw/zinc/38/39/00/524383900.db2.gz YKLGKYGRXPHJDQ-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4cccc([C@H](C)O)c4)c3)C2=O)c1 ZINC000035180956 524392523 /nfs/dbraw/zinc/39/25/23/524392523.db2.gz PQXHBEHOKJNLEN-FQEVSTJZSA-N 0 0 443.547 5.133 50 0 IKAARN Cc1cccc(CN2CCCN(c3cccc(NC(=O)c4c(F)cccc4F)c3)C2=O)c1 ZINC000034735310 524393938 /nfs/dbraw/zinc/39/39/38/524393938.db2.gz BJNFQHHZBQEIQH-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)NCCC4=CCCCC4)cc3)C2=O)c1 ZINC000035180843 524394076 /nfs/dbraw/zinc/39/40/76/524394076.db2.gz VUDGOZMMXDPMAA-UHFFFAOYSA-N 0 0 431.580 5.448 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)CCCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C ZINC000012465650 524395102 /nfs/dbraw/zinc/39/51/02/524395102.db2.gz HASBTLLFIJYYAW-OTPAQWSUSA-N 0 0 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524411762 /nfs/dbraw/zinc/41/17/62/524411762.db2.gz QUVWRIHZSKJJOG-AREMUKBSSA-N 0 0 446.572 5.237 50 0 IKAARN Cc1cc(C)cc(N2C(=O)N(Cc3ccc(Cl)cc3F)c3ccccc3S2(=O)=O)c1 ZINC000009664385 524412068 /nfs/dbraw/zinc/41/20/68/524412068.db2.gz LJTCMPDFUBCVFD-UHFFFAOYSA-N 0 0 444.915 5.431 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)C2CCCC2)o1 ZINC000035809393 524414172 /nfs/dbraw/zinc/41/41/72/524414172.db2.gz WHFXOGFOAOMNNO-UHFFFAOYSA-N 0 0 438.612 5.224 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccc(F)c(F)c2)C(C)C)o1 ZINC000035844768 524414478 /nfs/dbraw/zinc/41/44/78/524414478.db2.gz YYJWJSARHKSXJR-UHFFFAOYSA-N 0 0 440.534 5.348 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC(C)C)C(=O)c2ccc(C)cc2)o1 ZINC000035809295 524415253 /nfs/dbraw/zinc/41/52/53/524415253.db2.gz JUCZZKFGJZSHDI-UHFFFAOYSA-N 0 0 446.591 5.266 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nc(-c3cccs3)no2)s1 ZINC000021599319 524415762 /nfs/dbraw/zinc/41/57/62/524415762.db2.gz CSVBOUDQRSTWQO-UHFFFAOYSA-N 0 0 437.590 5.372 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)Cn2nc(-c3ccncc3)n(C)c2=S)s1 ZINC000012889064 524417030 /nfs/dbraw/zinc/41/70/30/524417030.db2.gz CZEMBHJSFDGEOX-UHFFFAOYSA-N 0 0 435.622 5.085 50 0 IKAARN Cc1cc(C)cc(NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)c1 ZINC000020415083 524417298 /nfs/dbraw/zinc/41/72/98/524417298.db2.gz LKWJBOXIQGZXKQ-UHFFFAOYSA-N 0 0 434.540 5.456 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CC2)C(=O)C2CCCC2)s1 ZINC000035808274 524417451 /nfs/dbraw/zinc/41/74/51/524417451.db2.gz GOMLWCXKAVQTGX-UHFFFAOYSA-N 0 0 442.600 5.153 50 0 IKAARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)c1 ZINC000015770963 524418769 /nfs/dbraw/zinc/41/87/69/524418769.db2.gz VIIALJULYYBDRY-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN COc1ccccc1CCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000021923272 524419592 /nfs/dbraw/zinc/41/95/92/524419592.db2.gz NUCKCZBZAGEKIV-UHFFFAOYSA-N 0 0 448.526 5.044 50 0 IKAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)NC2CCCCC2)o1 ZINC000035766442 524419679 /nfs/dbraw/zinc/41/96/79/524419679.db2.gz PGZSUUJVBNUFBM-UHFFFAOYSA-N 0 0 439.600 5.117 50 0 IKAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c2ccccc2C)o1 ZINC000035765795 524420235 /nfs/dbraw/zinc/42/02/35/524420235.db2.gz PKIZCBKCJVBCBN-UHFFFAOYSA-N 0 0 432.564 5.224 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)c1 ZINC000035534045 524421325 /nfs/dbraw/zinc/42/13/25/524421325.db2.gz TVRJGDRUQPSSED-UHFFFAOYSA-N 0 0 449.605 5.070 50 0 IKAARN Cc1cccc(CNC(=O)[C@@H]2CC[C@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CC3)C2)c1 ZINC000034710134 524423083 /nfs/dbraw/zinc/42/30/83/524423083.db2.gz HXIYIDXVKUFJDR-IFMALSPDSA-N 0 0 444.497 5.020 50 0 IKAARN Cc1cccc(CNC(=O)Nc2c(N)n(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000035868141 524423215 /nfs/dbraw/zinc/42/32/15/524423215.db2.gz HAFGUSUGNRBKDB-UHFFFAOYSA-N 0 0 445.954 5.464 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H](c3ccccc3F)C2)c1 ZINC000021163938 524424906 /nfs/dbraw/zinc/42/49/06/524424906.db2.gz RHMASHDJKKKZRS-HSZRJFAPSA-N 0 0 427.523 6.146 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000021893582 524427685 /nfs/dbraw/zinc/42/76/85/524427685.db2.gz CGIHICNCOSWXHV-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCc4ccc(F)cc4)cc32)cc1 ZINC000020385694 524428351 /nfs/dbraw/zinc/42/83/51/524428351.db2.gz YSLAGCHNWRQAHV-UHFFFAOYSA-N 0 0 435.524 5.095 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc32)cc1 ZINC000020385711 524428691 /nfs/dbraw/zinc/42/86/91/524428691.db2.gz YIZLBRLMQGPHGJ-DBXWQHBBSA-N 0 0 437.609 5.580 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c1 ZINC000033009408 524429901 /nfs/dbraw/zinc/42/99/01/524429901.db2.gz XJURMXYEVOIDMD-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4cc(C)ccc4C)cc32)cc1 ZINC000020385633 524429876 /nfs/dbraw/zinc/42/98/76/524429876.db2.gz MEYLERVSXSZVNJ-UHFFFAOYSA-N 0 0 431.561 5.895 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021809148 524432588 /nfs/dbraw/zinc/43/25/88/524432588.db2.gz ULGXDVLRYMSQIH-QRRVGDGBSA-N 0 0 449.620 5.121 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000020508745 524432429 /nfs/dbraw/zinc/43/24/29/524432429.db2.gz KMMIROWBRDBNMQ-RPBOFIJWSA-N 0 0 444.600 6.227 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021809654 524432871 /nfs/dbraw/zinc/43/28/71/524432871.db2.gz RSKWBGSRFMDFCU-SANMLTNESA-N 0 0 449.620 5.265 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)c1 ZINC000020939396 524433634 /nfs/dbraw/zinc/43/36/34/524433634.db2.gz VPEWKLUTFUMDEF-UHFFFAOYSA-N 0 0 446.576 5.712 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000017010768 524436897 /nfs/dbraw/zinc/43/68/97/524436897.db2.gz XXGNNEWJWIBIJH-UHFFFAOYSA-N 0 0 448.526 5.056 50 0 IKAARN C[C@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 ZINC000012478506 524444636 /nfs/dbraw/zinc/44/46/36/524444636.db2.gz ZYSIRNVKVBSYGN-HXPMCKFVSA-N 0 0 443.569 5.174 50 0 IKAARN Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)n2C)c1 ZINC000032952774 524462028 /nfs/dbraw/zinc/46/20/28/524462028.db2.gz WCLDHHPUNQEVDV-UHFFFAOYSA-N 0 0 446.022 5.769 50 0 IKAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2OC(C)C)CC(=O)N3)c1 ZINC000021784507 524463217 /nfs/dbraw/zinc/46/32/17/524463217.db2.gz OXDYFAPGQYHOCQ-GOSISDBHSA-N 0 0 435.549 5.044 50 0 IKAARN C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2)c1ccccc1 ZINC000032983974 524465293 /nfs/dbraw/zinc/46/52/93/524465293.db2.gz KPOMUMTXUGRUAO-GEWRUKCFSA-N 0 0 432.907 5.246 50 0 IKAARN COc1ccc(NC(=O)CC(C)(C)C)cc1N1CCCN(Cc2cccc(Cl)c2)C1=O ZINC000034739808 524476373 /nfs/dbraw/zinc/47/63/73/524476373.db2.gz NXHSUNVJLSWRRL-UHFFFAOYSA-N 0 0 443.975 5.556 50 0 IKAARN COc1ccccc1CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466692 524478998 /nfs/dbraw/zinc/47/89/98/524478998.db2.gz NVROMGFVQPUMSF-UHFFFAOYSA-N 0 0 436.964 6.220 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc(N2Cc3ccccc3Oc3ncccc32)s1 ZINC000020864585 524481779 /nfs/dbraw/zinc/48/17/79/524481779.db2.gz KLSCZMVGUVFWLE-UHFFFAOYSA-N 0 0 443.528 5.526 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)c(C)c1 ZINC000012755776 524482172 /nfs/dbraw/zinc/48/21/72/524482172.db2.gz QSCIQAVWDMYIRY-NRFANRHFSA-N 0 0 440.559 5.123 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1Cl ZINC000012580325 524483343 /nfs/dbraw/zinc/48/33/43/524483343.db2.gz ZPYBEMZLKYMMQS-INIZCTEOSA-N 0 0 434.989 5.244 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)cc2)n1 ZINC000012530395 524483180 /nfs/dbraw/zinc/48/31/80/524483180.db2.gz HYHAHFFFHBOEOB-MHZLTWQESA-N 0 0 449.510 5.751 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)c(C)c1 ZINC000012755781 524484790 /nfs/dbraw/zinc/48/47/90/524484790.db2.gz QSCIQAVWDMYIRY-OAQYLSRUSA-N 0 0 440.559 5.123 50 0 IKAARN Cc1cccc(Cn2nc(C(C)(C)C)cc2-c2nnc(SCC(=O)c3ccccc3)o2)c1 ZINC000012370105 524494773 /nfs/dbraw/zinc/49/47/73/524494773.db2.gz VSTCZWFQUPQQON-UHFFFAOYSA-N 0 0 446.576 5.562 50 0 IKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc3c(c2)OCO3)n1 ZINC000012446058 524500116 /nfs/dbraw/zinc/50/01/16/524500116.db2.gz BWNYFYKQEHXXDZ-UHFFFAOYSA-N 0 0 428.279 5.211 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)cc1Cl ZINC000033068769 524512007 /nfs/dbraw/zinc/51/20/07/524512007.db2.gz NKSNWFQUGWOBIE-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1cccc(C)c1 ZINC000020604719 524519020 /nfs/dbraw/zinc/51/90/20/524519020.db2.gz PNVVGTOYWVEGNL-UHFFFAOYSA-N 0 0 429.545 5.268 50 0 IKAARN COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3ccc(Cl)cc3)c2c1=O ZINC000035400664 524520938 /nfs/dbraw/zinc/52/09/38/524520938.db2.gz POKXIYZQHMOYQZ-UHFFFAOYSA-N 0 0 443.934 5.418 50 0 IKAARN Cc1ccc(CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000020938919 524522945 /nfs/dbraw/zinc/52/29/45/524522945.db2.gz JHFGVGKEUSAZRI-RUZDIDTESA-N 0 0 447.941 6.126 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000021536088 524525789 /nfs/dbraw/zinc/52/57/89/524525789.db2.gz ACOVODYTFKABAO-AREMUKBSSA-N 0 0 441.962 6.254 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000021536085 524526280 /nfs/dbraw/zinc/52/62/80/524526280.db2.gz ACOVODYTFKABAO-SANMLTNESA-N 0 0 441.962 6.254 50 0 IKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387298 524529888 /nfs/dbraw/zinc/52/98/88/524529888.db2.gz WRLONJFKHZNMEH-PZGXJGMVSA-N 0 0 446.635 5.694 50 0 IKAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034927514 524531352 /nfs/dbraw/zinc/53/13/52/524531352.db2.gz GZXBNEMYXHZTSB-UHFFFAOYSA-N 0 0 449.498 5.118 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000012601054 524531512 /nfs/dbraw/zinc/53/15/12/524531512.db2.gz LNAQAWGSEDGDOW-NRFANRHFSA-N 0 0 443.616 5.509 50 0 IKAARN COc1ccccc1N1C(=N)S/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O ZINC000012371762 524532828 /nfs/dbraw/zinc/53/28/28/524532828.db2.gz ZCGSWVONWBMRJF-WJEPFGLZSA-N 0 0 434.492 5.469 50 0 IKAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccc(C)cc4c32)cc1 ZINC000020996427 524532910 /nfs/dbraw/zinc/53/29/10/524532910.db2.gz YENIYQSSLHLLGY-UHFFFAOYSA-N 0 0 436.515 5.516 50 0 IKAARN Cc1ccc(CNC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000021932127 524533269 /nfs/dbraw/zinc/53/32/69/524533269.db2.gz AHCAAEUXDSRUEX-NRFANRHFSA-N 0 0 432.911 5.287 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000035910349 524533246 /nfs/dbraw/zinc/53/32/46/524533246.db2.gz PKDNLNNLMUQOAE-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000035910314 524533433 /nfs/dbraw/zinc/53/34/33/524533433.db2.gz ZFIDCOAXCANWPJ-AREMUKBSSA-N 0 0 444.600 6.323 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCc1ccccc1 ZINC000035925134 524534870 /nfs/dbraw/zinc/53/48/70/524534870.db2.gz OCQLMSMPTDVLKE-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000035925131 524535483 /nfs/dbraw/zinc/53/54/83/524535483.db2.gz HETFYYFKUVLURZ-XDHUDOTRSA-N 0 0 440.609 5.875 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000035925130 524535630 /nfs/dbraw/zinc/53/56/30/524535630.db2.gz HETFYYFKUVLURZ-MZNJEOGPSA-N 0 0 440.609 5.875 50 0 IKAARN Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc32)cc1 ZINC000021934962 524553658 /nfs/dbraw/zinc/55/36/58/524553658.db2.gz ZWVGCTXTKMPCJP-UHFFFAOYSA-N 0 0 432.321 5.298 50 0 IKAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000012344160 524556545 /nfs/dbraw/zinc/55/65/45/524556545.db2.gz YVSYKKNNOLWBOM-OAQYLSRUSA-N 0 0 446.334 5.449 50 0 IKAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000012344186 524556657 /nfs/dbraw/zinc/55/66/57/524556657.db2.gz WSZBUVRGPZPMNC-OAQYLSRUSA-N 0 0 446.334 5.449 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)cc1 ZINC000020939313 524559880 /nfs/dbraw/zinc/55/98/80/524559880.db2.gz ATEXQYIPBFCZMP-UHFFFAOYSA-N 0 0 446.576 5.081 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1OC ZINC000013347765 524578892 /nfs/dbraw/zinc/57/88/92/524578892.db2.gz GTOQRHFAFKUUPI-UHFFFAOYSA-N 0 0 430.508 5.020 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O ZINC000012447219 524581454 /nfs/dbraw/zinc/58/14/54/524581454.db2.gz LCWTUKZQHGATBZ-OAQYLSRUSA-N 0 0 425.532 5.231 50 0 IKAARN C[C@@H](CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021855752 524587907 /nfs/dbraw/zinc/58/79/07/524587907.db2.gz XKOUSSIHVKLYED-WTYVLRPYSA-N 0 0 443.591 5.108 50 0 IKAARN Cc1cccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1C ZINC000012140475 524602326 /nfs/dbraw/zinc/60/23/26/524602326.db2.gz MVWNBDFCBSEMFB-UHFFFAOYSA-N 0 0 428.355 5.254 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)c1C ZINC000033068854 524604097 /nfs/dbraw/zinc/60/40/97/524604097.db2.gz MFTCFZVUOUOTNE-UHFFFAOYSA-N 0 0 447.991 6.222 50 0 IKAARN COc1ccccc1NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020597966 524604965 /nfs/dbraw/zinc/60/49/65/524604965.db2.gz SVHJUHRUGCOAFW-UHFFFAOYSA-N 0 0 429.520 5.251 50 0 IKAARN COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(C(=O)c2ccco2)c2ccccc2)cc1 ZINC000021785314 524610258 /nfs/dbraw/zinc/61/02/58/524610258.db2.gz JKHGNGWEVDMHEO-DEOSSOPVSA-N 0 0 444.462 5.454 50 0 IKAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908744 524611361 /nfs/dbraw/zinc/61/13/61/524611361.db2.gz QFKBBWKXSAUJDQ-OAQYLSRUSA-N 0 0 449.457 6.151 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021893786 524612193 /nfs/dbraw/zinc/61/21/93/524612193.db2.gz YQWIRLBNADQHJM-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccccc1NC(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1 ZINC000021795532 524617235 /nfs/dbraw/zinc/61/72/35/524617235.db2.gz DHOYGRRJSHIXIO-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020736955 524621214 /nfs/dbraw/zinc/62/12/14/524621214.db2.gz JGBDGQGSYHCXQA-DEOSSOPVSA-N 0 0 432.564 5.519 50 0 IKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3cccc(Cl)c3)n2)cc1 ZINC000009648272 524621253 /nfs/dbraw/zinc/62/12/53/524621253.db2.gz XWFHRJSGKQLQKZ-UHFFFAOYSA-N 0 0 440.938 6.133 50 0 IKAARN COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020730758 524621568 /nfs/dbraw/zinc/62/15/68/524621568.db2.gz PSNTTYDAPPPORH-VWLOTQADSA-N 0 0 440.543 5.386 50 0 IKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)C(=O)[C@@H]2C1 ZINC000017988082 524623169 /nfs/dbraw/zinc/62/31/69/524623169.db2.gz VWOOMHRDUWLVNY-UHOFOFEASA-N 0 0 431.319 5.171 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000021889545 524627336 /nfs/dbraw/zinc/62/73/36/524627336.db2.gz GKURIQKIIATARM-NDEPHWFRSA-N 0 0 435.571 7.046 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000021888686 524627855 /nfs/dbraw/zinc/62/78/55/524627855.db2.gz WCLWPKORKDJJRL-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)c1C ZINC000021888647 524627959 /nfs/dbraw/zinc/62/79/59/524627959.db2.gz VINYDDLWZZZZPE-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN COc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3cccc(C)c3)C2=O)c1 ZINC000035180942 524628093 /nfs/dbraw/zinc/62/80/93/524628093.db2.gz JHYVSGVJLDOVDM-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)c1C ZINC000021536109 524628036 /nfs/dbraw/zinc/62/80/36/524628036.db2.gz CFDFNPFMNSMEIL-SANMLTNESA-N 0 0 425.507 6.370 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)c1C ZINC000021536463 524628084 /nfs/dbraw/zinc/62/80/84/524628084.db2.gz IJAXMYSRUNZREU-SANMLTNESA-N 0 0 443.497 6.509 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(Cl)c2)c1C ZINC000021893562 524628548 /nfs/dbraw/zinc/62/85/48/524628548.db2.gz VVOPEWPYTLTTSI-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(Cl)ccc2Cl)cc1C ZINC000035911039 524647279 /nfs/dbraw/zinc/64/72/79/524647279.db2.gz LQBBHATTWYELQJ-UHFFFAOYSA-N 0 0 441.383 6.602 50 0 IKAARN Cc1ccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3ccccn3)n2)cc1 ZINC000015835371 524650488 /nfs/dbraw/zinc/65/04/88/524650488.db2.gz XPDGKGQXMYEPNI-UHFFFAOYSA-N 0 0 444.585 5.876 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)c(OC)c1 ZINC000012249684 524662236 /nfs/dbraw/zinc/66/22/36/524662236.db2.gz QSFTZMQXQHHMQT-UHFFFAOYSA-N 0 0 439.924 5.468 50 0 IKAARN Cc1cccc(NC2=C[C@@H](c3ccc4oc5ccccc5c4c3)N(c3cccc(C)c3)C2=O)c1 ZINC000012462841 524667676 /nfs/dbraw/zinc/66/76/76/524667676.db2.gz WVSVUFLYUPAIKE-MHZLTWQESA-N 0 0 444.534 7.287 50 0 IKAARN C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2)S1 ZINC000012418106 524688059 /nfs/dbraw/zinc/68/80/59/524688059.db2.gz WRQLQQTZVZPNHM-NSHDSACASA-N 0 0 429.851 5.768 50 0 IKAARN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000035769080 524690695 /nfs/dbraw/zinc/69/06/95/524690695.db2.gz DPONULCZJALYHC-UHFFFAOYSA-N 0 0 442.607 5.046 50 0 IKAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)cc1 ZINC000035769065 524691344 /nfs/dbraw/zinc/69/13/44/524691344.db2.gz IINXPMVOHXSMDU-HXUWFJFHSA-N 0 0 436.644 5.104 50 0 IKAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2)cc1 ZINC000035769066 524691632 /nfs/dbraw/zinc/69/16/32/524691632.db2.gz IINXPMVOHXSMDU-FQEVSTJZSA-N 0 0 436.644 5.104 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)C2CCC2)C(C)C)c(-c2ccccc2)nn1C ZINC000035980486 524695164 /nfs/dbraw/zinc/69/51/64/524695164.db2.gz COQAQNJOYFMZID-UHFFFAOYSA-N 0 0 433.552 5.425 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(=O)C(C)C)c(C)nn1-c1ccccc1 ZINC000035976708 524695384 /nfs/dbraw/zinc/69/53/84/524695384.db2.gz WDHFISJNKDHAMW-UHFFFAOYSA-N 0 0 433.552 5.376 50 0 IKAARN COc1ccccc1Oc1c(CN(CC(C)C)C(=O)C(C)C)c(-c2ccccc2)nn1C ZINC000035980444 524695398 /nfs/dbraw/zinc/69/53/98/524695398.db2.gz SYVVHVLUQGORFG-UHFFFAOYSA-N 0 0 435.568 5.529 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)c2ccco2)C(C)C)c(-c2ccccc2)nn1C ZINC000035980484 524695824 /nfs/dbraw/zinc/69/58/24/524695824.db2.gz PHPVZLNPWWWXFC-UHFFFAOYSA-N 0 0 445.519 5.532 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)C2CCC2)C2CC2)c(C)nn1-c1ccccc1 ZINC000035976600 524695925 /nfs/dbraw/zinc/69/59/25/524695925.db2.gz GFJJXTDRGBHQNG-UHFFFAOYSA-N 0 0 431.536 5.273 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000033068717 524696586 /nfs/dbraw/zinc/69/65/86/524696586.db2.gz XCDIOMWENVQGMK-UHFFFAOYSA-N 0 0 427.573 5.877 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cc1 ZINC000020617057 524698152 /nfs/dbraw/zinc/69/81/52/524698152.db2.gz MTTHQIUEZUWNGD-UHFFFAOYSA-N 0 0 447.438 5.707 50 0 IKAARN Cc1cccc(Nc2nc(C(=O)Nc3ccccc3Br)nc3ccccc32)c1 ZINC000035429642 524700951 /nfs/dbraw/zinc/70/09/51/524700951.db2.gz ANXTUNGHWHVYBL-UHFFFAOYSA-N 0 0 433.309 5.697 50 0 IKAARN C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2)c1ccccc1 ZINC000032983547 524719009 /nfs/dbraw/zinc/71/90/09/524719009.db2.gz MPSIOJTTYGICQQ-YOBACFSGSA-N 0 0 432.907 5.246 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947750 524726731 /nfs/dbraw/zinc/72/67/31/524726731.db2.gz DCTIIEMDZAIMCY-WYRIXSBYSA-N 0 0 443.366 6.324 50 0 IKAARN C[C@@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 ZINC000012478499 524731887 /nfs/dbraw/zinc/73/18/87/524731887.db2.gz ZYSIRNVKVBSYGN-CWTRNNRKSA-N 0 0 443.569 5.174 50 0 IKAARN C[C@@H]1CCc2sc(-c3nnc(S[C@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 ZINC000012478511 524733155 /nfs/dbraw/zinc/73/31/55/524733155.db2.gz ZYSIRNVKVBSYGN-BLVKFPJESA-N 0 0 443.569 5.174 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000020856102 524744180 /nfs/dbraw/zinc/74/41/80/524744180.db2.gz MYOQGHZEAAQYIW-UHFFFAOYSA-N 0 0 431.388 6.460 50 0 IKAARN C[C@H](Cc1ccco1)NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000021656905 524744634 /nfs/dbraw/zinc/74/46/34/524744634.db2.gz HNKHMSRNPTVWDW-OAHLLOKOSA-N 0 0 425.941 5.272 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 ZINC000035462981 524745562 /nfs/dbraw/zinc/74/55/62/524745562.db2.gz RFQXDOFSBAOBBR-UHFFFAOYSA-N 0 0 434.952 5.970 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021536131 524748655 /nfs/dbraw/zinc/74/86/55/524748655.db2.gz IFXUPVKFPUWMGS-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047489 524748776 /nfs/dbraw/zinc/74/87/76/524748776.db2.gz OIZVMHHVBUPGEP-HSZRJFAPSA-N 0 0 437.008 6.768 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CN(C)CC3 ZINC000035426947 524748943 /nfs/dbraw/zinc/74/89/43/524748943.db2.gz OIABGGNBKZPTOB-HNNXBMFYSA-N 0 0 441.000 5.597 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000021156823 524751102 /nfs/dbraw/zinc/75/11/02/524751102.db2.gz XMMFHXIVDRNAGP-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1ccn([C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000020617018 524754810 /nfs/dbraw/zinc/75/48/10/524754810.db2.gz VPOZIXQKZJUERU-CQSZACIVSA-N 0 0 431.323 5.259 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033272017 524755332 /nfs/dbraw/zinc/75/53/32/524755332.db2.gz QMNOVTPLHLJQTD-UHFFFAOYSA-N 0 0 426.925 5.015 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000021159422 524770757 /nfs/dbraw/zinc/77/07/57/524770757.db2.gz WREZRCYBWJXEJV-QPPBQGQZSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000021159431 524771235 /nfs/dbraw/zinc/77/12/35/524771235.db2.gz WREZRCYBWJXEJV-ZJSXRUAMSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3cccc(C)c3)c3ccccc32)cc1 ZINC000035815771 524772271 /nfs/dbraw/zinc/77/22/71/524772271.db2.gz TVEGXWGWJNNCTM-MHZLTWQESA-N 0 0 438.615 6.601 50 0 IKAARN 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IKAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 ZINC000022486038 525005979 /nfs/dbraw/zinc/00/59/79/525005979.db2.gz YKWAPPZIKSOZKH-MRXNPFEDSA-N 0 0 441.362 5.614 50 0 IKAARN Cc1ccccc1-c1nc2cc(Cc3ccc4nc(-c5ccccc5C)oc4c3)ccc2o1 ZINC000016666916 525013329 /nfs/dbraw/zinc/01/33/29/525013329.db2.gz XRVSFKQCXCVJCE-UHFFFAOYSA-N 0 0 430.507 7.511 50 0 IKAARN Cc1ccccc1-c1nnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)o1 ZINC000022517108 525016167 /nfs/dbraw/zinc/01/61/67/525016167.db2.gz ZDUKPYBREBTDSE-UHFFFAOYSA-N 0 0 433.480 6.480 50 0 IKAARN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2nc(C(C)C)cs2)n1 ZINC000035476121 525017895 /nfs/dbraw/zinc/01/78/95/525017895.db2.gz QNHPAHUWWPVJLI-UHFFFAOYSA-N 0 0 434.521 5.309 50 0 IKAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccncc1 ZINC000012608203 525026487 /nfs/dbraw/zinc/02/64/87/525026487.db2.gz DWVUZDYHLSXOKI-INIZCTEOSA-N 0 0 434.952 5.655 50 0 IKAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 ZINC000021372862 525027380 /nfs/dbraw/zinc/02/73/80/525027380.db2.gz LEGDHKAKGBJVJB-QGZVFWFLSA-N 0 0 439.544 5.483 50 0 IKAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000022077939 525037313 /nfs/dbraw/zinc/03/73/13/525037313.db2.gz BAXBPOVWBAIAFP-QFIPXVFZSA-N 0 0 437.469 5.211 50 0 IKAARN Cc1ccccc1/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1cccc2ccccc21 ZINC000020617532 525042481 /nfs/dbraw/zinc/04/24/81/525042481.db2.gz PEXMZZALGPCQPO-PNOGMODKSA-N 0 0 449.510 5.575 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882880 525061833 /nfs/dbraw/zinc/06/18/33/525061833.db2.gz ASNKDXYBRIEJPW-OSPHWJPCSA-N 0 0 444.506 5.265 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885408 525062309 /nfs/dbraw/zinc/06/23/09/525062309.db2.gz YSIAFHXLGGRUPX-OAHLLOKOSA-N 0 0 438.886 5.041 50 0 IKAARN C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000012853038 525068829 /nfs/dbraw/zinc/06/88/29/525068829.db2.gz OJIYULXDJLYUEN-OJXHRBAXSA-N 0 0 431.363 5.123 50 0 IKAARN C[C@H]1Sc2nnc(Cc3cccc4ccccc43)n2N=C1c1ccc(OC(F)F)cc1 ZINC000009662413 525079350 /nfs/dbraw/zinc/07/93/50/525079350.db2.gz SMPNZSGRXWMGBF-CQSZACIVSA-N 0 0 436.487 5.370 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1C ZINC000033050713 525080348 /nfs/dbraw/zinc/08/03/48/525080348.db2.gz VHABBUYWSYCEMC-UHFFFAOYSA-N 0 0 435.980 6.086 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(C[C@H](c3ccco3)c3ccc(F)cc3)o2)cc1 ZINC000012389585 525083783 /nfs/dbraw/zinc/08/37/83/525083783.db2.gz MIZUIJDVHFLPBR-IBGZPJMESA-N 0 0 437.496 5.216 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c(Cl)c1 ZINC000035533316 525083864 /nfs/dbraw/zinc/08/38/64/525083864.db2.gz IMPKMEKAFJKKTN-UHFFFAOYSA-N 0 0 448.017 5.015 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(C[C@@H](c3ccco3)c3ccc(F)cc3)o2)cc1 ZINC000012389586 525084509 /nfs/dbraw/zinc/08/45/09/525084509.db2.gz MIZUIJDVHFLPBR-LJQANCHMSA-N 0 0 437.496 5.216 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c(Cl)c1 ZINC000033328852 525086060 /nfs/dbraw/zinc/08/60/60/525086060.db2.gz AAHOQQRZCXMOPY-UHFFFAOYSA-N 0 0 449.923 5.230 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)c(Cl)c1 ZINC000022276986 525095516 /nfs/dbraw/zinc/09/55/16/525095516.db2.gz CCZYSAOLQOJNBA-LLVKDONJSA-N 0 0 425.262 5.737 50 0 IKAARN C[C@@H](NC(=O)COC(=O)CCSc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012541453 525115085 /nfs/dbraw/zinc/11/50/85/525115085.db2.gz VNNCNJXCPHAHGO-LRYXAPPNSA-N 0 0 436.017 5.087 50 0 IKAARN Cc1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)cc1C ZINC000034927433 525124369 /nfs/dbraw/zinc/12/43/69/525124369.db2.gz HSSIUJZRLIUREO-UHFFFAOYSA-N 0 0 429.973 5.061 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc2ccccc21 ZINC000012598932 525127199 /nfs/dbraw/zinc/12/71/99/525127199.db2.gz RQOBRQPJWSQNFO-MRXNPFEDSA-N 0 0 446.551 5.542 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)cc1F ZINC000012770974 525130327 /nfs/dbraw/zinc/13/03/27/525130327.db2.gz VYWVCYQNTYMRDH-JOZWUWCOSA-N 0 0 426.513 5.069 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1 ZINC000034908719 525131865 /nfs/dbraw/zinc/13/18/65/525131865.db2.gz UJYJBNLOEQWVNP-QFIPXVFZSA-N 0 0 433.458 6.450 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3cccc([C@H](C)O)c3)c2)C1=O ZINC000035180884 525141443 /nfs/dbraw/zinc/14/14/43/525141443.db2.gz YNNSOPRMVRNGMD-FQEVSTJZSA-N 0 0 443.547 5.133 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F ZINC000012788189 525142841 /nfs/dbraw/zinc/14/28/41/525142841.db2.gz WRVPBSCXGMQRFE-GOSISDBHSA-N 0 0 429.495 5.237 50 0 IKAARN Cc1cc(NC(=O)CN[C@@H](c2cc3ccccc3o2)c2ccccc2)n(-c2ccccc2)n1 ZINC000012568006 525146883 /nfs/dbraw/zinc/14/68/83/525146883.db2.gz BTSOAFJXOSDQIR-HHHXNRCGSA-N 0 0 436.515 5.245 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1F ZINC000021536849 525148799 /nfs/dbraw/zinc/14/87/99/525148799.db2.gz AEPVMBJULBUGCX-SANMLTNESA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)cc1F ZINC000021536760 525149023 /nfs/dbraw/zinc/14/90/23/525149023.db2.gz UKEBCRFGZWSSRA-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000021536305 525149033 /nfs/dbraw/zinc/14/90/33/525149033.db2.gz IVLYKJUTDSDYAW-MUUNZHRXSA-N 0 0 435.571 7.046 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)cc1C ZINC000015735605 525149121 /nfs/dbraw/zinc/14/91/21/525149121.db2.gz WCBULKYBAPUXEG-DEOSSOPVSA-N 0 0 433.621 6.779 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000021536172 525149690 /nfs/dbraw/zinc/14/96/90/525149690.db2.gz NERZOJCDQYNDIL-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)cc1F ZINC000021536547 525149764 /nfs/dbraw/zinc/14/97/64/525149764.db2.gz YPWWGOSDRXPTHQ-VWLOTQADSA-N 0 0 447.460 6.340 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1Cl ZINC000021894098 525149876 /nfs/dbraw/zinc/14/98/76/525149876.db2.gz KYQLPRIIWPVSMQ-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN COc1ccc([C@@H](CC(=O)N[C@@H](C)c2ccccc2)c2cn(C)c3ccccc23)cc1OC ZINC000035891463 525171548 /nfs/dbraw/zinc/17/15/48/525171548.db2.gz LTUWGVIKFYKLMW-WMZHIEFXSA-N 0 0 442.559 5.595 50 0 IKAARN COc1ccc([C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560717 525171765 /nfs/dbraw/zinc/17/17/65/525171765.db2.gz WWBDIZTVDJUPPH-JOCHJYFZSA-N 0 0 438.886 5.214 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1F ZINC000015778756 525172497 /nfs/dbraw/zinc/17/24/97/525172497.db2.gz XGMWFPUKGZTFSP-HXUWFJFHSA-N 0 0 436.874 5.749 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c(C)c1 ZINC000021037705 525180240 /nfs/dbraw/zinc/18/02/40/525180240.db2.gz INVHIVDNXOHJLB-NRFANRHFSA-N 0 0 432.911 5.918 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(N3CCCN(Cc4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000034737041 525185337 /nfs/dbraw/zinc/18/53/37/525185337.db2.gz BWCUEANZUSYKOE-UHFFFAOYSA-N 0 0 448.954 6.125 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(Cl)ccc3n2)cc1C ZINC000015865520 525187554 /nfs/dbraw/zinc/18/75/54/525187554.db2.gz WBAJIBISGJJTNC-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN C[C@]1(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)CC1(Cl)Cl ZINC000021601528 525190393 /nfs/dbraw/zinc/19/03/93/525190393.db2.gz KODHJRHHWSDLKU-GOSISDBHSA-N 0 0 428.747 5.245 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1F ZINC000016766635 525195424 /nfs/dbraw/zinc/19/54/24/525195424.db2.gz LAOMUWKHSDXRLV-LLVKDONJSA-N 0 0 439.990 5.884 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1c1ccc(Cl)cc1 ZINC000035482101 525198344 /nfs/dbraw/zinc/19/83/44/525198344.db2.gz LHWOBZDFPDCPCI-HSZRJFAPSA-N 0 0 441.984 5.224 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1C1CCCCC1 ZINC000021869226 525198954 /nfs/dbraw/zinc/19/89/54/525198954.db2.gz CWEQDEXRCJXSKN-HHHXNRCGSA-N 0 0 433.596 5.151 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1 ZINC000021527626 525200454 /nfs/dbraw/zinc/20/04/54/525200454.db2.gz GSTMTVRCZFYVJV-HHHXNRCGSA-N 0 0 447.554 5.034 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1c1cccc(Cl)c1 ZINC000021526440 525202496 /nfs/dbraw/zinc/20/24/96/525202496.db2.gz FEYBUDMIWZLSKL-XMMPIXPASA-N 0 0 439.943 5.146 50 0 IKAARN Cc1ccccc1Cc1c(C)nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cnn2c1C ZINC000021657838 525203388 /nfs/dbraw/zinc/20/33/88/525203388.db2.gz JPUNVVVTCXPCQV-UHFFFAOYSA-N 0 0 429.911 5.616 50 0 IKAARN Cc1cc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)ccc1Br ZINC000021711572 525205973 /nfs/dbraw/zinc/20/59/73/525205973.db2.gz KBUNJBGSRPLRAD-UHFFFAOYSA-N 0 0 449.308 6.119 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000021160110 525208894 /nfs/dbraw/zinc/20/88/94/525208894.db2.gz NEYKUDTUNMTFIP-UHFFFAOYSA-N 0 0 444.623 5.448 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000021160260 525211779 /nfs/dbraw/zinc/21/17/79/525211779.db2.gz CHDQZAXXMMTYCL-URXFXBBRSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3cccs3)n2C2CC2)c2ccccc2)cc1 ZINC000012679047 525218049 /nfs/dbraw/zinc/21/80/49/525218049.db2.gz VSPDKPBJIHIQPQ-OAQYLSRUSA-N 0 0 446.601 6.122 50 0 IKAARN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2)c1ccccc1 ZINC000020734763 525221221 /nfs/dbraw/zinc/22/12/21/525221221.db2.gz MKTYSXJXGOHZDX-NSMHLIOHSA-N 0 0 434.948 5.916 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021809164 525221327 /nfs/dbraw/zinc/22/13/27/525221327.db2.gz KJESNXRXLAFWKB-XOVJRCOKSA-N 0 0 435.593 5.125 50 0 IKAARN Cc1ccccc1N1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000035776276 525223016 /nfs/dbraw/zinc/22/30/16/525223016.db2.gz RQBZMERWFGMLIJ-DEOSSOPVSA-N 0 0 441.550 5.486 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)c(OC)c1OC ZINC000000681748 525236998 /nfs/dbraw/zinc/23/69/98/525236998.db2.gz JTZLURJVUBGJAE-HNNXBMFYSA-N 0 0 442.309 5.102 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)c(OC)c1OC ZINC000021157812 525237290 /nfs/dbraw/zinc/23/72/90/525237290.db2.gz VKJBJIWAFFJPFR-HNNXBMFYSA-N 0 0 429.925 5.568 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033268556 525237804 /nfs/dbraw/zinc/23/78/04/525237804.db2.gz GQTIPNPGOUANLX-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN CS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1Cl ZINC000021319379 525239052 /nfs/dbraw/zinc/23/90/52/525239052.db2.gz VJDJBWQYOCJKGC-UHFFFAOYSA-N 0 0 445.768 5.033 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2c(F)c(F)c(F)c(F)c2F)c(OC)c1 ZINC000012419978 525240649 /nfs/dbraw/zinc/24/06/49/525240649.db2.gz DHKUDHMOZCNDHR-INIZCTEOSA-N 0 0 448.391 5.755 50 0 IKAARN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nn1Cc1cccc(C)c1 ZINC000020616299 525241722 /nfs/dbraw/zinc/24/17/22/525241722.db2.gz YBSFBSBRCOMMLU-UHFFFAOYSA-N 0 0 441.560 5.509 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000023313342 525242902 /nfs/dbraw/zinc/24/29/02/525242902.db2.gz FCNDSRSAXFXNGX-FQEVSTJZSA-N 0 0 440.927 5.309 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1 ZINC000021705467 525243143 /nfs/dbraw/zinc/24/31/43/525243143.db2.gz KOKXHUBCZSCMMY-DBEXCURXSA-N 0 0 439.405 5.275 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)c2)cc1C ZINC000033027771 525244760 /nfs/dbraw/zinc/24/47/60/525244760.db2.gz CVTDVAMTKDXHPB-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2Cc2ccccc2)cc1OC ZINC000012773475 525245318 /nfs/dbraw/zinc/24/53/18/525245318.db2.gz VQBKGUNUCRPAOD-QHCPKHFHSA-N 0 0 431.532 5.037 50 0 IKAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c(OC)c1 ZINC000012568618 525248265 /nfs/dbraw/zinc/24/82/65/525248265.db2.gz FNXAFJIPUCIPHC-QFIPXVFZSA-N 0 0 438.549 5.025 50 0 IKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908671 525249252 /nfs/dbraw/zinc/24/92/52/525249252.db2.gz CINYMWFGHWBGPV-QFIPXVFZSA-N 0 0 433.458 6.450 50 0 IKAARN Cc1ccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1C ZINC000017052856 525251752 /nfs/dbraw/zinc/25/17/52/525251752.db2.gz BEBYMDSIFAWHBS-UHFFFAOYSA-N 0 0 448.526 5.056 50 0 IKAARN COc1ccc([C@@H]2CCN(Cc3cccc(OCCO)c3)c3ccccc3S2)cc1C ZINC000012470210 525254945 /nfs/dbraw/zinc/25/49/45/525254945.db2.gz YQJVVMDFOQSFAG-VWLOTQADSA-N 0 0 435.589 5.618 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3ccc(OCc4cc(C)ccc4C)cc3)n2)cc1 ZINC000034711816 525256388 /nfs/dbraw/zinc/25/63/88/525256388.db2.gz FTRQIBUTAFGYJT-UHFFFAOYSA-N 0 0 428.557 6.567 50 0 IKAARN Cc1cc(NC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)ccc1Br ZINC000035429931 525260832 /nfs/dbraw/zinc/26/08/32/525260832.db2.gz DLFRZBFBJQQEQH-UHFFFAOYSA-N 0 0 433.309 5.697 50 0 IKAARN Cc1ccccc1NCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659392 525268901 /nfs/dbraw/zinc/26/89/01/525268901.db2.gz KWEDAACOEPEXRU-UHFFFAOYSA-N 0 0 428.923 5.823 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000012195480 525270166 /nfs/dbraw/zinc/27/01/66/525270166.db2.gz RPSKPZUATCCQOV-OFVILXPXSA-N 0 0 434.923 5.908 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000017265442 525271011 /nfs/dbraw/zinc/27/10/11/525271011.db2.gz GGVLFDRIUMBEKG-UPVQGACJSA-N 0 0 449.348 6.008 50 0 IKAARN C[C@H](NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N)C12CC3CC(CC(C3)C1)C2 ZINC000012383187 525274113 /nfs/dbraw/zinc/27/41/13/525274113.db2.gz GNGHIFVIGWOFLF-NGVVTVSOSA-N 0 0 432.593 5.275 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(SC)c2)cc1 ZINC000021880019 525276442 /nfs/dbraw/zinc/27/64/42/525276442.db2.gz NWAWCMMCLBPDLK-RUZDIDTESA-N 0 0 443.572 6.078 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)cc2)c(F)c1 ZINC000020452945 525277862 /nfs/dbraw/zinc/27/78/62/525277862.db2.gz RLPHFLOKGGFPFZ-HHHXNRCGSA-N 0 0 443.522 5.422 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 ZINC000020419004 525279790 /nfs/dbraw/zinc/27/97/90/525279790.db2.gz IUNXZJKKAUALKV-UHFFFAOYSA-N 0 0 431.517 5.355 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000021892134 525281957 /nfs/dbraw/zinc/28/19/57/525281957.db2.gz NPHFFYWIHZLUNV-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc([C@H](C)NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)cc1F ZINC000012770978 525301850 /nfs/dbraw/zinc/30/18/50/525301850.db2.gz VYWVCYQNTYMRDH-VSGCLNPGSA-N 0 0 426.513 5.069 50 0 IKAARN Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 ZINC000012062349 525305956 /nfs/dbraw/zinc/30/59/56/525305956.db2.gz CVBATASPKDAENH-UHFFFAOYSA-N 0 0 431.561 5.179 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)CCC3CCCC3)cc12 ZINC000020532834 525307740 /nfs/dbraw/zinc/30/77/40/525307740.db2.gz DWKPQGKMBZVLMX-UHFFFAOYSA-N 0 0 441.497 7.215 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3cccs3)cc12 ZINC000020532827 525308323 /nfs/dbraw/zinc/30/83/23/525308323.db2.gz ALHYSRWFNFORIA-UHFFFAOYSA-N 0 0 427.451 6.619 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1F ZINC000012585941 525315106 /nfs/dbraw/zinc/31/51/06/525315106.db2.gz WHVYEBVERFIYSJ-INIZCTEOSA-N 0 0 435.524 5.299 50 0 IKAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC000012569332 525316869 /nfs/dbraw/zinc/31/68/69/525316869.db2.gz BUOCVPOHOPHCNL-HXUWFJFHSA-N 0 0 432.332 5.084 50 0 IKAARN Cc1ccc(N[C@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 ZINC000252695310 525318052 /nfs/dbraw/zinc/31/80/52/525318052.db2.gz YAWXGPAFXBXPKZ-IWKCEXAMSA-N 0 0 449.850 6.599 50 0 IKAARN Cc1ccc(N[C@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)cc1 ZINC000015777010 525319233 /nfs/dbraw/zinc/31/92/33/525319233.db2.gz CWOMNIGXBBBJTN-OAHLLOKOSA-N 0 0 436.564 5.296 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc3ccc(Cl)cn32)c(C)c1 ZINC000035606607 525320022 /nfs/dbraw/zinc/32/00/22/525320022.db2.gz QBHJBFWCVFGFAL-UHFFFAOYSA-N 0 0 448.010 7.968 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)cc1Cl ZINC000020854596 525320254 /nfs/dbraw/zinc/32/02/54/525320254.db2.gz WXNJVZZJTJKYPE-UHFFFAOYSA-N 0 0 429.705 5.570 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nc(C)n2)cc1 ZINC000021795635 525322016 /nfs/dbraw/zinc/32/20/16/525322016.db2.gz NLJOJKDJOVTCFZ-UHFFFAOYSA-N 0 0 442.498 6.364 50 0 IKAARN Cc1ccccc1O[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000720506 525322191 /nfs/dbraw/zinc/32/21/91/525322191.db2.gz QWWVMSACURUBBB-YADHBBJMSA-N 0 0 441.405 5.278 50 0 IKAARN Cc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Cl)cn32)c(Br)c1 ZINC000035616446 525323765 /nfs/dbraw/zinc/32/37/65/525323765.db2.gz UPNNTMNYOVXEEO-UHFFFAOYSA-N 0 0 428.717 6.175 50 0 IKAARN Cc1ccc(Nc2nc(C)c(NC(=O)c3ccccc3C)c(Nc3ccc(C)cc3)n2)cc1 ZINC000021152995 525324296 /nfs/dbraw/zinc/32/42/96/525324296.db2.gz CEWRTWQXCJQOSA-UHFFFAOYSA-N 0 0 437.547 6.450 50 0 IKAARN C[C@]12C(=O)N(c3ccc(Cl)cc3C(F)(F)F)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012866465 525341676 /nfs/dbraw/zinc/34/16/76/525341676.db2.gz VHYGOVDMZZIZJZ-FQEVSTJZSA-N 0 0 433.817 5.080 50 0 biogenic IKAARN CSC1=NC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578155 525342567 /nfs/dbraw/zinc/34/25/67/525342567.db2.gz GOPZFKBPELECAC-UHFFFAOYSA-N 0 0 441.000 5.545 50 0 IKAARN COc1ccc([C@H](CC(=O)N[C@H](C)c2ccccc2)c2cn(C)c3ccccc23)cc1OC ZINC000035891461 525344014 /nfs/dbraw/zinc/34/40/14/525344014.db2.gz LTUWGVIKFYKLMW-XXBNENTESA-N 0 0 442.559 5.595 50 0 IKAARN COc1ccc([C@H](CC(=O)Nc2ccc(F)c(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560719 525344137 /nfs/dbraw/zinc/34/41/37/525344137.db2.gz WWBDIZTVDJUPPH-QFIPXVFZSA-N 0 0 438.886 5.214 50 0 IKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)[C@H]2O ZINC000253497508 525348329 /nfs/dbraw/zinc/34/83/29/525348329.db2.gz NKLBOHZLKULONG-XBUFFOFCSA-N 0 0 443.469 7.236 50 0 biogenic IKAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)no1 ZINC000065032298 525357813 /nfs/dbraw/zinc/35/78/13/525357813.db2.gz QWFZOVWJDNXTNF-OAHLLOKOSA-N 0 0 442.500 5.611 50 0 IKAARN Cc1ccccc1[C@@H](C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000012734007 525359441 /nfs/dbraw/zinc/35/94/41/525359441.db2.gz PDQSWSDFAYPDOI-GFCCVEGCSA-N 0 0 442.363 5.104 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1Cl ZINC000012226644 525365778 /nfs/dbraw/zinc/36/57/78/525365778.db2.gz GRBXPMSPEWYDTH-UHFFFAOYSA-N 0 0 426.822 5.033 50 0 IKAARN COc1ccc([C@H](NC(=O)CNc2ccccc2N2CCCCC2)c2ccccc2)cc1 ZINC000012577734 525366174 /nfs/dbraw/zinc/36/61/74/525366174.db2.gz PIFLFGGDLBDPAU-HHHXNRCGSA-N 0 0 429.564 5.003 50 0 IKAARN Cc1cc(OCCCC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)ccc1Cl ZINC000012598842 525368721 /nfs/dbraw/zinc/36/87/21/525368721.db2.gz JQIRBLGMHXXEOX-UHFFFAOYSA-N 0 0 442.939 6.089 50 0 IKAARN COc1ccc([C@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476836 525372960 /nfs/dbraw/zinc/37/29/60/525372960.db2.gz RBUZPCPLZNFUMB-DEOSSOPVSA-N 0 0 443.572 6.222 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)C1 ZINC000023331421 525378682 /nfs/dbraw/zinc/37/86/82/525378682.db2.gz WRILRQKKWQEZBK-IYBDPMFKSA-N 0 0 427.470 5.881 50 0 IKAARN C[S@](=O)(=NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000020442581 525379212 /nfs/dbraw/zinc/37/92/12/525379212.db2.gz YSSKVQKLAWZZFJ-HHHXNRCGSA-N 0 0 429.769 5.675 50 0 IKAARN C[C@@H](NC(=S)N=[P@@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 ZINC000012648319 525385966 /nfs/dbraw/zinc/38/59/66/525385966.db2.gz OZNNEBVFCDKOKT-GDJIYFAZSA-N 0 0 429.570 5.195 50 0 IKAARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012417565 525389293 /nfs/dbraw/zinc/38/92/93/525389293.db2.gz YQGDYRQQMFBRQC-GASCZTMLSA-N 0 0 448.947 5.449 50 0 IKAARN Cc1cc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c(Cl)cc1Cl ZINC000023335271 525396031 /nfs/dbraw/zinc/39/60/31/525396031.db2.gz HOAYUKABZHCCND-UHFFFAOYSA-N 0 0 441.355 5.491 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000021536830 525396596 /nfs/dbraw/zinc/39/65/96/525396596.db2.gz LAKCICPSPSUGSX-RUZDIDTESA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NCc1ccc(F)cc1 ZINC000021894347 525397240 /nfs/dbraw/zinc/39/72/40/525397240.db2.gz LDHQLFKUTPRHHG-AREMUKBSSA-N 0 0 425.507 5.740 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cc(C)nc2C)cc1 ZINC000012602544 525405390 /nfs/dbraw/zinc/40/53/90/525405390.db2.gz PAHYCQZPTUXGFM-AREMUKBSSA-N 0 0 438.531 5.040 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 ZINC000009669583 525408786 /nfs/dbraw/zinc/40/87/86/525408786.db2.gz GQYQKUFDPQLZDL-HSZRJFAPSA-N 0 0 432.520 5.606 50 0 IKAARN COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)c(OC)c1 ZINC000012773058 525414582 /nfs/dbraw/zinc/41/45/82/525414582.db2.gz DAOKHLRSBJTPRG-LJQANCHMSA-N 0 0 444.988 5.083 50 0 IKAARN Cc1ccc(OCCSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 ZINC000012690068 525425519 /nfs/dbraw/zinc/42/55/19/525425519.db2.gz VDHXJNGGRPYEQR-UHFFFAOYSA-N 0 0 443.616 6.711 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1 ZINC000016977357 525428839 /nfs/dbraw/zinc/42/88/39/525428839.db2.gz AULNLCVFUDWYEC-UHFFFAOYSA-N 0 0 425.504 5.789 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)NCCc1ccccc1 ZINC000016977265 525429437 /nfs/dbraw/zinc/42/94/37/525429437.db2.gz HFOAGVATTUOZFC-UHFFFAOYSA-N 0 0 446.595 5.172 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccc(F)cc1 ZINC000016977281 525429650 /nfs/dbraw/zinc/42/96/50/525429650.db2.gz NPAQBIYRWCPYKR-UHFFFAOYSA-N 0 0 436.531 5.591 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccc(F)cc1 ZINC000012514179 525429745 /nfs/dbraw/zinc/42/97/45/525429745.db2.gz BIHVGGSXBOJXJF-UHFFFAOYSA-N 0 0 436.531 5.591 50 0 IKAARN COc1ccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)cc1OC ZINC000012559615 525430683 /nfs/dbraw/zinc/43/06/83/525430683.db2.gz BNMNRJHNGJKUEN-HSZRJFAPSA-N 0 0 443.528 5.236 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@H](Nc1ccccn1)c1ccccn1 ZINC000021805669 525431456 /nfs/dbraw/zinc/43/14/56/525431456.db2.gz AGYIISUNCMHFGC-AREMUKBSSA-N 0 0 433.515 5.720 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193120 525431997 /nfs/dbraw/zinc/43/19/97/525431997.db2.gz HEHATUBMJXRNOU-FYYLOGMGSA-N 0 0 435.321 5.700 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033070537 525433021 /nfs/dbraw/zinc/43/30/21/525433021.db2.gz XFONCEADYGOARW-UHFFFAOYSA-N 0 0 440.931 5.536 50 0 IKAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000012595960 525434209 /nfs/dbraw/zinc/43/42/09/525434209.db2.gz WEVYKDBVBFCILB-FQEVSTJZSA-N 0 0 427.504 5.130 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2OC)cc1 ZINC000021891967 525442286 /nfs/dbraw/zinc/44/22/86/525442286.db2.gz KVHJKJQTCVESNV-SANMLTNESA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000022672610 525442351 /nfs/dbraw/zinc/44/23/51/525442351.db2.gz ZKCTXOYDONMWNH-DWXRJYCRSA-N 0 0 439.596 5.649 50 0 IKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021891983 525442555 /nfs/dbraw/zinc/44/25/55/525442555.db2.gz MRGKAIWRVGZCLV-VWLOTQADSA-N 0 0 443.934 6.276 50 0 IKAARN COc1ccc([C@H]2c3ccsc3CCN2C(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000012368884 525442920 /nfs/dbraw/zinc/44/29/20/525442920.db2.gz LJXABOOCDKHDGM-FQEVSTJZSA-N 0 0 449.428 6.408 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1OC ZINC000012371247 525445710 /nfs/dbraw/zinc/44/57/10/525445710.db2.gz JNOOFDPCFXLRJZ-ZLNRFVROSA-N 0 0 445.317 6.066 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)N(C)Cc3cccc(Cl)c3Cl)cs2)cc1 ZINC000023490272 525447678 /nfs/dbraw/zinc/44/76/78/525447678.db2.gz MCZBDJVQMUTJTR-UHFFFAOYSA-N 0 0 435.376 5.538 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)cc1F ZINC000021536865 525448889 /nfs/dbraw/zinc/44/88/89/525448889.db2.gz TXUFLCKGURNKDJ-VWLOTQADSA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(Br)c1 ZINC000012339562 525455331 /nfs/dbraw/zinc/45/53/31/525455331.db2.gz MZSFEZOQPOSDKL-UHFFFAOYSA-N 0 0 430.534 5.485 50 0 IKAARN Cc1cccn2cc(CSc3nnc(-c4ccccc4)n3-c3ccc(C)c(C)c3)nc12 ZINC000012659285 525474699 /nfs/dbraw/zinc/47/46/99/525474699.db2.gz OOMNGXDXWHUMNV-UHFFFAOYSA-N 0 0 425.561 5.800 50 0 IKAARN COc1ccc2[nH]c(=O)c(CN(C(=O)CCc3ccccc3)c3cccc(C)c3)cc2c1 ZINC000013362004 525476852 /nfs/dbraw/zinc/47/68/52/525476852.db2.gz ZDBWNOOWLBGXKI-UHFFFAOYSA-N 0 0 426.516 5.011 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)cc(C)c1)[C@H]3c1ccc(C)cc1 ZINC000015725464 525480600 /nfs/dbraw/zinc/48/06/00/525480600.db2.gz YDJLJFHNHWSJQB-MHZLTWQESA-N 0 0 439.559 6.281 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)NCCc3ccccc3)c2c1 ZINC000016977484 525480612 /nfs/dbraw/zinc/48/06/12/525480612.db2.gz XXVIAOHQHQBNRI-UHFFFAOYSA-N 0 0 447.604 5.240 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)ccc1C)[C@H]3c1ccc(C)cc1 ZINC000015725460 525481433 /nfs/dbraw/zinc/48/14/33/525481433.db2.gz BSIRGSUMCUFCGP-MHZLTWQESA-N 0 0 439.559 6.281 50 0 IKAARN COc1ccc2[nH]c(Sc3c(=O)[nH]c4cc(Cl)ccc4c3-c3ccccc3)nc2c1 ZINC000020808328 525482004 /nfs/dbraw/zinc/48/20/04/525482004.db2.gz ZLLVVXYEZWBWCU-UHFFFAOYSA-N 0 0 433.920 5.885 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1OC)[C@@H]3c1ccc(C)cc1 ZINC000021880146 525482476 /nfs/dbraw/zinc/48/24/76/525482476.db2.gz VQQMXIJSOSMKOP-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(F)c1)[C@@H]3c1ccc(F)cc1 ZINC000021779635 525482545 /nfs/dbraw/zinc/48/25/45/525482545.db2.gz QMGVMPNWYIGIOW-XMMPIXPASA-N 0 0 433.458 5.634 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1OC)[C@H]3c1ccc(F)cc1 ZINC000021779895 525482954 /nfs/dbraw/zinc/48/29/54/525482954.db2.gz NLBGEIRGORVZIQ-VWLOTQADSA-N 0 0 430.479 5.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(OC)c1)[C@@H]3c1ccc(C)cc1 ZINC000021880152 525483430 /nfs/dbraw/zinc/48/34/30/525483430.db2.gz ZFCYRKRVTUODJL-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(C)c1C)[C@@H]3c1ccc(C)cc1 ZINC000015725448 525483957 /nfs/dbraw/zinc/48/39/57/525483957.db2.gz LUBBAYGTNHTSSB-HHHXNRCGSA-N 0 0 439.559 6.281 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000035476950 525484401 /nfs/dbraw/zinc/48/44/01/525484401.db2.gz PBBSAVMDKJLZRX-QHCPKHFHSA-N 0 0 442.588 6.226 50 0 IKAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCC[C@H]3c3ccc(OC)c4ccccc43)c2c1 ZINC000248265664 525493723 /nfs/dbraw/zinc/49/37/23/525493723.db2.gz YZGSNPDDOYRMNG-UKILVPOCSA-N 0 0 430.504 5.301 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000020511923 525501587 /nfs/dbraw/zinc/50/15/87/525501587.db2.gz QZTNJOBMCMWWOH-HKARXFIJSA-N 0 0 438.543 5.450 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000035684912 525505809 /nfs/dbraw/zinc/50/58/09/525505809.db2.gz KUKIYHPVKVZTEO-OAHLLOKOSA-N 0 0 434.805 5.101 50 0 IKAARN Cc1c(-c2cccc(NC(=O)C3c4ccccc4Oc4ccccc43)c2)nc2ncccn12 ZINC000016991693 525509019 /nfs/dbraw/zinc/50/90/19/525509019.db2.gz WABDJBBZOBLUCV-UHFFFAOYSA-N 0 0 432.483 5.581 50 0 IKAARN Cc1c(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C ZINC000020617881 525512856 /nfs/dbraw/zinc/51/28/56/525512856.db2.gz ZCWONGWBULGLST-UHFFFAOYSA-N 0 0 435.746 5.250 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2nccn2Cc2c(C)cc(C)cc2C)CC(C)C)cc1 ZINC000035979894 525514070 /nfs/dbraw/zinc/51/40/70/525514070.db2.gz IUPZHHNCIHABJD-UHFFFAOYSA-N 0 0 439.625 5.012 50 0 IKAARN COc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)c2ccc(F)c(C)c2)cc1 ZINC000023458352 525535630 /nfs/dbraw/zinc/53/56/30/525535630.db2.gz GGKKRRUTTGOCJB-UHFFFAOYSA-N 0 0 428.463 5.816 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cc(C)cc(C)c4)ccc32)cc1 ZINC000017050715 525537828 /nfs/dbraw/zinc/53/78/28/525537828.db2.gz QBUKUPUCOOGMRP-UHFFFAOYSA-N 0 0 434.561 5.006 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000035476945 525537940 /nfs/dbraw/zinc/53/79/40/525537940.db2.gz KMNCRMCGOFRNRL-JOCHJYFZSA-N 0 0 446.551 6.056 50 0 IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(C)cc3Cl)CC1)c1cccn1-2 ZINC000035446863 525551000 /nfs/dbraw/zinc/55/10/00/525551000.db2.gz HUZPZUCWZZOCLQ-UHFFFAOYSA-N 0 0 436.943 5.396 50 0 biogenic IKAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)CCC(F)(F)F)C2 ZINC000012134388 525587435 /nfs/dbraw/zinc/58/74/35/525587435.db2.gz GWZLPOKVBOUWTA-IBGZPJMESA-N 0 0 428.454 5.281 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2CCc2ccccc2)s1 ZINC000034680296 525590465 /nfs/dbraw/zinc/59/04/65/525590465.db2.gz NZLSHKQCHNHVIK-UHFFFAOYSA-N 0 0 442.506 6.203 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1ccc(Cl)cc1)c2Sc1ccc(C)cc1 ZINC000020466809 525598944 /nfs/dbraw/zinc/59/89/44/525598944.db2.gz ZHVMAKYXHOCCAV-UHFFFAOYSA-N 0 0 436.964 6.220 50 0 IKAARN C[C@H](N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Br)cc1)c1ccccc1 ZINC000021367025 525599633 /nfs/dbraw/zinc/59/96/33/525599633.db2.gz PSSFRUUBWKMUPP-KKSFZXQISA-N 0 0 434.337 5.939 50 0 IKAARN COc1ccc2c(c1)nc(SCc1nc3ccccc3c(=O)[nH]1)cc2-c1ccccc1 ZINC000012546677 525605667 /nfs/dbraw/zinc/60/56/67/525605667.db2.gz HANQMGPRRUKZCV-UHFFFAOYSA-N 0 0 425.513 5.439 50 0 IKAARN COc1ccc2c(c1)nc(S[C@H](C)C(=O)Nc1ccc(Cl)cn1)cc2-c1ccccc1 ZINC000012546792 525606223 /nfs/dbraw/zinc/60/62/23/525606223.db2.gz QAEVGOMLIUABFN-OAHLLOKOSA-N 0 0 449.963 6.078 50 0 IKAARN COc1ccc2c(c1)nc(SCC(=O)NC(=O)NC1CCCCC1)cc2-c1ccccc1 ZINC000012541499 525606741 /nfs/dbraw/zinc/60/67/41/525606741.db2.gz QUOYXHWSLKPVAP-UHFFFAOYSA-N 0 0 449.576 5.161 50 0 IKAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000015865484 525606540 /nfs/dbraw/zinc/60/65/40/525606540.db2.gz ZFIMYTOLKXKRCE-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN COc1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)cc2-c1ccccc1 ZINC000012533420 525607369 /nfs/dbraw/zinc/60/73/69/525607369.db2.gz DSJLZSYNJKFYHR-YZZKKUAISA-N 0 0 434.605 6.086 50 0 IKAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3)nc2c1 ZINC000021100387 525607533 /nfs/dbraw/zinc/60/75/33/525607533.db2.gz BDFXSIPCDWZTRM-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)Nc3ccccc3C(C)=O)cc1)c2=O ZINC000012322743 525609370 /nfs/dbraw/zinc/60/93/70/525609370.db2.gz VUCVMTMOZCAINV-UHFFFAOYSA-N 0 0 443.455 5.357 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882877 525611824 /nfs/dbraw/zinc/61/18/24/525611824.db2.gz ASNKDXYBRIEJPW-BXKMTCNYSA-N 0 0 444.506 5.265 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c(C)c1 ZINC000015870250 525611952 /nfs/dbraw/zinc/61/19/52/525611952.db2.gz GCVDOEZMIIIUPF-UHFFFAOYSA-N 0 0 443.594 5.233 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882956 525612738 /nfs/dbraw/zinc/61/27/38/525612738.db2.gz DDOVLEBQPZTCCD-BXKMTCNYSA-N 0 0 444.506 5.265 50 0 IKAARN Cc1c(C(=O)NCCSCc2c(F)cccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000012340421 525615466 /nfs/dbraw/zinc/61/54/66/525615466.db2.gz FXGOYSOUAWDDOT-UHFFFAOYSA-N 0 0 438.355 5.290 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(c2ccccc2C)C3=O)o1 ZINC000021526783 525618592 /nfs/dbraw/zinc/61/85/92/525618592.db2.gz PVGKEECMVVAIGO-AREMUKBSSA-N 0 0 433.552 5.109 50 0 IKAARN COc1ccc2cc(/C=C(\c3nc4ccccc4[nH]3)S(=O)(=O)c3ccccc3)ccc2c1 ZINC000012777775 525621400 /nfs/dbraw/zinc/62/14/00/525621400.db2.gz PMMRLRLTRVTSTI-PCLIKHOPSA-N 0 0 440.524 5.697 50 0 IKAARN C[C@@H]1S[C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)N(c2ccccc2)C1=O ZINC000012417007 525625770 /nfs/dbraw/zinc/62/57/70/525625770.db2.gz BCXVBOSDFJJECZ-UPCLLVRISA-N 0 0 434.948 5.208 50 0 IKAARN Cc1c(C(=O)NCc2ccc(OC(F)F)cc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000022508483 525627712 /nfs/dbraw/zinc/62/77/12/525627712.db2.gz AYPOXJKDMUQFDY-UHFFFAOYSA-N 0 0 429.448 5.100 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000012338510 525630062 /nfs/dbraw/zinc/63/00/62/525630062.db2.gz OATUGQVRSFARFU-CTUHWIOQSA-N 0 0 440.609 5.172 50 0 IKAARN COc1ccc2cc(CNc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)c(Cl)nc2c1 ZINC000012606930 525630701 /nfs/dbraw/zinc/63/07/01/525630701.db2.gz OWQNTGYYXUSBLH-UHFFFAOYSA-N 0 0 449.860 5.876 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(C(c3ccccc3)c3ccccc3)oc2N(C)C)cc1 ZINC000012652910 525634123 /nfs/dbraw/zinc/63/41/23/525634123.db2.gz OMMUMEWQRJUORV-UHFFFAOYSA-N 0 0 432.545 5.062 50 0 IKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2NCc2ccc(F)cc2)cc1 ZINC000020382490 525634429 /nfs/dbraw/zinc/63/44/29/525634429.db2.gz XWNZYGNAGFXDAE-UHFFFAOYSA-N 0 0 440.927 5.781 50 0 IKAARN Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1 ZINC000015882543 525644114 /nfs/dbraw/zinc/64/41/14/525644114.db2.gz TXPRKWPSDMMDKD-UHFFFAOYSA-N 0 0 433.602 5.942 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2C)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020464784 525654785 /nfs/dbraw/zinc/65/47/85/525654785.db2.gz HETRJMWNNCMDPT-UHFFFAOYSA-N 0 0 435.495 6.499 50 0 biogenic IKAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4Cl)c3)cn2n1 ZINC000012441286 525654943 /nfs/dbraw/zinc/65/49/43/525654943.db2.gz JXULEHHXJBGNCA-UHFFFAOYSA-N 0 0 447.709 5.617 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900695 525657731 /nfs/dbraw/zinc/65/77/31/525657731.db2.gz KSPYUDCIZMSHGK-UHFFFAOYSA-N 0 0 439.458 6.330 50 0 biogenic IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@@H](c1cccc(O)c1)CC(=O)N2 ZINC000015107051 525659070 /nfs/dbraw/zinc/65/90/70/525659070.db2.gz UGIUTYLERCCEAR-MRXNPFEDSA-N 0 0 446.450 5.507 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078865 525659765 /nfs/dbraw/zinc/65/97/65/525659765.db2.gz WVECZCNIHXMQAQ-UHFFFAOYSA-N 0 0 428.989 5.983 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2Br)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084332 525661047 /nfs/dbraw/zinc/66/10/47/525661047.db2.gz AUAYFFHSBFJHKI-UHFFFAOYSA-N 0 0 445.386 5.313 50 0 IKAARN Cc1ccc(S[C@@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000020445994 525664600 /nfs/dbraw/zinc/66/46/00/525664600.db2.gz OFCPJUOMGUNZDD-INIZCTEOSA-N 0 0 429.973 5.616 50 0 IKAARN Cc1ccc(S[C@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000020445989 525666594 /nfs/dbraw/zinc/66/65/94/525666594.db2.gz OFCPJUOMGUNZDD-MRXNPFEDSA-N 0 0 429.973 5.616 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3Cl)oc2cc1C ZINC000015746670 525666798 /nfs/dbraw/zinc/66/67/98/525666798.db2.gz LEMQKRZFUAEZKC-UHFFFAOYSA-N 0 0 425.897 5.485 50 0 IKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)cc(C)c3O)oc2cc1C ZINC000012651593 525666826 /nfs/dbraw/zinc/66/68/26/525666826.db2.gz TWVKJFWPVVKXLK-UHFFFAOYSA-N 0 0 430.460 5.149 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3C)oc2c(C)c1 ZINC000020807953 525667809 /nfs/dbraw/zinc/66/78/09/525667809.db2.gz BQRCHABCNXYGFD-FYWRMAATSA-N 0 0 448.522 7.332 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4cc(C)ccc4C)cc3)n2)cc1 ZINC000032999003 525671004 /nfs/dbraw/zinc/67/10/04/525671004.db2.gz FADOCMNCYADOJK-UHFFFAOYSA-N 0 0 441.556 5.561 50 0 IKAARN Cc1ccc(Sc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2)cc1C ZINC000012741975 525672004 /nfs/dbraw/zinc/67/20/04/525672004.db2.gz HMGUFOOYQOSPQA-UHFFFAOYSA-N 0 0 435.574 6.137 50 0 IKAARN C[C@@H](N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Br)cc1)c1ccccc1 ZINC000021367018 525672664 /nfs/dbraw/zinc/67/26/64/525672664.db2.gz PSSFRUUBWKMUPP-IERDGZPVSA-N 0 0 434.337 5.939 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4cccc(C)c4C)cc3)cc(=O)n2o1 ZINC000041089711 525675400 /nfs/dbraw/zinc/67/54/00/525675400.db2.gz DPGFTKZTRJSFIU-UHFFFAOYSA-N 0 0 434.521 5.149 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc(=O)n2o1 ZINC000035429557 525675643 /nfs/dbraw/zinc/67/56/43/525675643.db2.gz JBXMDXSVNQPMQU-UHFFFAOYSA-N 0 0 447.560 5.438 50 0 IKAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000021801699 525679262 /nfs/dbraw/zinc/67/92/62/525679262.db2.gz SYZYNHAXWCFCID-UHFFFAOYSA-N 0 0 444.495 5.258 50 0 IKAARN Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccc(F)cc4)nc3c12 ZINC000021801653 525681452 /nfs/dbraw/zinc/68/14/52/525681452.db2.gz SJCJYZSLCVJGAM-UHFFFAOYSA-N 0 0 436.288 5.254 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4cccc(C)c4)c3c2c1 ZINC000020996453 525681496 /nfs/dbraw/zinc/68/14/96/525681496.db2.gz DRRWENCYPITRAQ-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000015842387 525681781 /nfs/dbraw/zinc/68/17/81/525681781.db2.gz BBALUMASIYTAIQ-UHFFFAOYSA-N 0 0 430.924 5.615 50 0 IKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000001065217 525682418 /nfs/dbraw/zinc/68/24/18/525682418.db2.gz FZYKCSYBUHSQDY-UHFFFAOYSA-N 0 0 427.254 5.420 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccccc4F)c3c2c1 ZINC000020996514 525682861 /nfs/dbraw/zinc/68/28/61/525682861.db2.gz RMXALSPCEPEKCT-UHFFFAOYSA-N 0 0 444.441 5.177 50 0 IKAARN Cc1cc2sc(=NC=C3C(=O)N(c4ccccc4F)C(=O)c4ccccc43)[nH]c2c(C)c1 ZINC000018031184 525699523 /nfs/dbraw/zinc/69/95/23/525699523.db2.gz SFMUZIVAXZAWKY-QGOAFFKASA-N 0 0 443.503 5.692 50 0 IKAARN Cc1ccc(-c2cc(-c3coc4ccc(C)cc4c3=O)c3c(n2)-c2cc(C)ccc2OC3)cc1 ZINC000020847513 525713325 /nfs/dbraw/zinc/71/33/25/525713325.db2.gz WGBRCUZXAGEOJF-UHFFFAOYSA-N 0 0 445.518 7.007 50 0 IKAARN Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1 ZINC000012250038 525713984 /nfs/dbraw/zinc/71/39/84/525713984.db2.gz FXFWAMYRYKRIAR-UHFFFAOYSA-N 0 0 443.503 6.505 50 0 IKAARN C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012812566 525714281 /nfs/dbraw/zinc/71/42/81/525714281.db2.gz NCLOZZNLHGHJNW-MRXNPFEDSA-N 0 0 445.544 5.097 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3cccc(C)c3)n2)cc1 ZINC000021659600 525714669 /nfs/dbraw/zinc/71/46/69/525714669.db2.gz ZURJYOWRTSTJGH-UHFFFAOYSA-N 0 0 442.950 6.131 50 0 IKAARN COc1cccc(-c2csc(Cc3nc(-c4ccc(Br)cc4)no3)n2)c1 ZINC000033298237 525718961 /nfs/dbraw/zinc/71/89/61/525718961.db2.gz MQLJQVGMQIQLMQ-UHFFFAOYSA-N 0 0 428.311 5.222 50 0 IKAARN COc1cccc(-c2nc(C(=O)Nc3ccccc3OCC(F)(F)F)cs2)c1OC ZINC000013007342 525723193 /nfs/dbraw/zinc/72/31/93/525723193.db2.gz KFOWYINSXIEOLH-UHFFFAOYSA-N 0 0 438.427 5.021 50 0 IKAARN CSCc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 ZINC000012299950 525724875 /nfs/dbraw/zinc/72/48/75/525724875.db2.gz OBQIWFVGZKKBGU-IBGZPJMESA-N 0 0 435.545 5.670 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 ZINC000037385589 525726055 /nfs/dbraw/zinc/72/60/55/525726055.db2.gz VUQGGAQLTYACRD-UHFFFAOYSA-N 0 0 442.519 5.291 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000037396514 525727393 /nfs/dbraw/zinc/72/73/93/525727393.db2.gz FLMDPCCROSGSGO-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000037396533 525727503 /nfs/dbraw/zinc/72/75/03/525727503.db2.gz ZODNLMUDCCNKJT-UHFFFAOYSA-N 0 0 448.548 5.292 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4)nc3n2)cc1 ZINC000021660504 525730763 /nfs/dbraw/zinc/73/07/63/525730763.db2.gz SHPXWQRDZBUATB-UHFFFAOYSA-N 0 0 431.805 5.024 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)no2)c(C)c1 ZINC000036011971 525731538 /nfs/dbraw/zinc/73/15/38/525731538.db2.gz PDIXQKGZUJEMSZ-UHFFFAOYSA-N 0 0 430.935 6.454 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)no2)c(C)c1 ZINC000036011979 525731611 /nfs/dbraw/zinc/73/16/11/525731611.db2.gz URQYRTQORDEPDT-UHFFFAOYSA-N 0 0 430.935 6.454 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)no2)cc1C ZINC000036001745 525731870 /nfs/dbraw/zinc/73/18/70/525731870.db2.gz ABIRUEYWQUTCNG-UHFFFAOYSA-N 0 0 430.935 6.454 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)no2)cc1C ZINC000036001736 525731977 /nfs/dbraw/zinc/73/19/77/525731977.db2.gz UGUHWMSYWKYCFC-UHFFFAOYSA-N 0 0 430.935 6.454 50 0 IKAARN COc1cccc(-c2noc(CCN(C(=O)CCc3ccccc3)C3CCCCC3)n2)c1 ZINC000035538291 525735466 /nfs/dbraw/zinc/73/54/66/525735466.db2.gz GEEZKPVFZGYOLS-UHFFFAOYSA-N 0 0 433.552 5.082 50 0 IKAARN COc1cccc(-c2noc([C@@H]3CCCCN3C(=O)Nc3ccc(Cl)cc3Cl)n2)c1 ZINC000035726493 525740511 /nfs/dbraw/zinc/74/05/11/525740511.db2.gz UOIPCMHIEVSMER-SFHVURJKSA-N 0 0 447.322 5.811 50 0 IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(Cl)cc2)c1 ZINC000016960598 525743075 /nfs/dbraw/zinc/74/30/75/525743075.db2.gz GGQJKIYSMYSJQS-UHFFFAOYSA-N 0 0 447.947 5.821 50 0 IKAARN COc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000016960668 525748282 /nfs/dbraw/zinc/74/82/82/525748282.db2.gz FBFZOFGAJILDQZ-UHFFFAOYSA-N 0 0 440.528 5.399 50 0 IKAARN Cc1c(Cl)cccc1-n1c(SCc2nc3ccccc3o2)nnc1-c1ccncc1 ZINC000021200857 525749663 /nfs/dbraw/zinc/74/96/63/525749663.db2.gz ZKQFHNFMQXCTCE-UHFFFAOYSA-N 0 0 433.924 5.725 50 0 IKAARN Cc1c(Cl)cccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccncc1 ZINC000012527619 525751173 /nfs/dbraw/zinc/75/11/73/525751173.db2.gz DFUYOMLLXJKJJU-CQSZACIVSA-N 0 0 440.960 5.651 50 0 IKAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccc(C(C)C)cc4)C3)nn2)cc1 ZINC000035398195 525753387 /nfs/dbraw/zinc/75/33/87/525753387.db2.gz DTMHEIDNNCKOHQ-XMMPIXPASA-N 0 0 428.580 5.108 50 0 IKAARN Cc1ccc([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2cn(C)c3ccccc23)cc1 ZINC000035891663 525757569 /nfs/dbraw/zinc/75/75/69/525757569.db2.gz JRRGSKIFLNKIDH-JOCHJYFZSA-N 0 0 426.516 5.054 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccc(C)cc4)cc3NC2=O)c1 ZINC000020734387 525764392 /nfs/dbraw/zinc/76/43/92/525764392.db2.gz OVQKJAKIFMWXGP-YDZHTSKRSA-N 0 0 430.529 5.019 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3NC2=O)c1 ZINC000020734343 525765942 /nfs/dbraw/zinc/76/59/42/525765942.db2.gz SQYUXQJJOVQNQQ-PXMYUXJPSA-N 0 0 436.577 5.335 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2nc(N3CCC[C@H](C)C3)sc21 ZINC000035533732 525766841 /nfs/dbraw/zinc/76/68/41/525766841.db2.gz JZGYJCILKLNMBZ-LBPRGKRZSA-N 0 0 448.017 5.015 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 ZINC000015881936 525768160 /nfs/dbraw/zinc/76/81/60/525768160.db2.gz UCSBMOMJBGTAQS-UHFFFAOYSA-N 0 0 429.977 5.131 50 0 IKAARN Cc1ccc([C@@H](NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012797253 525768207 /nfs/dbraw/zinc/76/82/07/525768207.db2.gz YXCSJRYPCIVNJA-GBXCKJPGSA-N 0 0 440.634 5.005 50 0 IKAARN Cc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2-c2ccccc2)cc1 ZINC000012461983 525768964 /nfs/dbraw/zinc/76/89/64/525768964.db2.gz BMRRAMMDPWECNV-UHFFFAOYSA-N 0 0 425.535 7.434 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccn([C@@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000020617021 525776924 /nfs/dbraw/zinc/77/69/24/525776924.db2.gz WLQFXNXTBRUAFR-AWEZNQCLSA-N 0 0 431.323 5.259 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc5c(c4)OCCO5)cc3)n2)c(C)c1 ZINC000033169367 525778479 /nfs/dbraw/zinc/77/84/79/525778479.db2.gz RVTLLDGRJIGNAA-UHFFFAOYSA-N 0 0 441.487 6.041 50 0 IKAARN Cc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccc(F)cc4)n4ccccc34)n2)cc1 ZINC000020441867 525778828 /nfs/dbraw/zinc/77/88/28/525778828.db2.gz NYTPFHRWHFUOGO-UHFFFAOYSA-N 0 0 427.504 5.991 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)n2)cc1 ZINC000021363397 525780045 /nfs/dbraw/zinc/78/00/45/525780045.db2.gz MTPSMZBNFGPNQO-UHFFFAOYSA-N 0 0 448.320 6.724 50 0 IKAARN Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 ZINC000021731232 525780658 /nfs/dbraw/zinc/78/06/58/525780658.db2.gz DJULXUZMIPPQFZ-UHFFFAOYSA-N 0 0 449.005 5.286 50 0 IKAARN Cc1c(Cl)cccc1Nc1nnc(SCC(=O)N(C)Cc2cccs2)s1 ZINC000021737519 525781141 /nfs/dbraw/zinc/78/11/41/525781141.db2.gz YXONQKMRUCRMFN-UHFFFAOYSA-N 0 0 425.004 5.056 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000012858073 525787174 /nfs/dbraw/zinc/78/71/74/525787174.db2.gz FWYJUYQRIJDRMN-UHFFFAOYSA-N 0 0 435.380 5.272 50 0 IKAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n23)cc1 ZINC000020768118 525788037 /nfs/dbraw/zinc/78/80/37/525788037.db2.gz XSRKNACXKQNZAZ-UHFFFAOYSA-N 0 0 429.423 5.003 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccccc2)c1 ZINC000036012045 525792020 /nfs/dbraw/zinc/79/20/20/525792020.db2.gz QJXZXBBYPUPNCN-UHFFFAOYSA-N 0 0 428.488 5.201 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1 ZINC000020903360 525796099 /nfs/dbraw/zinc/79/60/99/525796099.db2.gz ITKPJECNLAYIES-SANMLTNESA-N 0 0 449.620 5.347 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccs1 ZINC000021809736 525796398 /nfs/dbraw/zinc/79/63/98/525796398.db2.gz MCLXUQNLRSCOAO-QHCPKHFHSA-N 0 0 441.622 5.018 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(F)cc1 ZINC000020903303 525796440 /nfs/dbraw/zinc/79/64/40/525796440.db2.gz KNAGIARXYYGBFE-MHZLTWQESA-N 0 0 447.554 5.429 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000035927620 525803767 /nfs/dbraw/zinc/80/37/67/525803767.db2.gz HEKSGJGHZMKVSY-VOIUYBSRSA-N 0 0 442.600 6.314 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000035927622 525803910 /nfs/dbraw/zinc/80/39/10/525803910.db2.gz HEKSGJGHZMKVSY-UPCLLVRISA-N 0 0 442.600 6.314 50 0 IKAARN Cc1ccc(-c2nc(CN(C)CC(=O)Nc3ccc(Br)cc3C)cs2)cc1 ZINC000012784557 525809010 /nfs/dbraw/zinc/80/90/10/525809010.db2.gz CEEGELYNNOZGSE-UHFFFAOYSA-N 0 0 444.398 5.260 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)co2)c(C)c1 ZINC000012921875 525809951 /nfs/dbraw/zinc/80/99/51/525809951.db2.gz INABVXBEONHIKB-QFIPXVFZSA-N 0 0 444.318 5.232 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)co2)c(C)c1 ZINC000012921880 525810305 /nfs/dbraw/zinc/81/03/05/525810305.db2.gz INABVXBEONHIKB-JOCHJYFZSA-N 0 0 444.318 5.232 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)/C=C\c3ccc(F)cc3)sc2-c2ccc(C)cc2)cc1 ZINC000033720653 525816467 /nfs/dbraw/zinc/81/64/67/525816467.db2.gz LGIMAMFMMNKALH-SXGWCWSVSA-N 0 0 428.532 6.885 50 0 IKAARN Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3cccc(C)n3)co2)cc1 ZINC000012741012 525816727 /nfs/dbraw/zinc/81/67/27/525816727.db2.gz SJEKWYWGWAPVAA-UHFFFAOYSA-N 0 0 440.528 5.345 50 0 IKAARN Cc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000012853739 525816909 /nfs/dbraw/zinc/81/69/09/525816909.db2.gz ULYWSYMFBBDPPR-ZDUSSCGKSA-N 0 0 437.417 6.686 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(COc4ccc(Cl)cc4)o3)co2)c(C)c1 ZINC000012857998 525817040 /nfs/dbraw/zinc/81/70/40/525817040.db2.gz FPRBRHPOIHLHJB-UHFFFAOYSA-N 0 0 427.913 5.866 50 0 IKAARN Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c(=O)n(-c2ccccc2)n1C ZINC000012823305 525824853 /nfs/dbraw/zinc/82/48/53/525824853.db2.gz OEPFWUSGPVVMFY-FYWRMAATSA-N 0 0 449.963 5.518 50 0 IKAARN Cc1ccc(-c2nc3sc4c(c3c(OCC(=O)NC3CCCCC3)n2)CCCC4)cc1 ZINC000015829977 525828128 /nfs/dbraw/zinc/82/81/28/525828128.db2.gz SGUGWQTTYQWWHP-UHFFFAOYSA-N 0 0 435.593 5.373 50 0 IKAARN Cc1ccc(-c2ncc3c(ncnc3SCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000033300933 525833520 /nfs/dbraw/zinc/83/35/20/525833520.db2.gz ILLBEDGQGBQFGC-UHFFFAOYSA-N 0 0 429.549 5.249 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(Oc3nnc(-c4ccccc4)c4ccccc34)cc2)c1 ZINC000012583920 525834282 /nfs/dbraw/zinc/83/42/82/525834282.db2.gz JLQLTKSIAJGAKT-UHFFFAOYSA-N 0 0 447.494 6.350 50 0 IKAARN COc1cccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)c1 ZINC000035912264 525834641 /nfs/dbraw/zinc/83/46/41/525834641.db2.gz LBLKJFPCQIVZQK-VWLOTQADSA-N 0 0 432.545 5.343 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C(C)C)cc3)c2)c1 ZINC000035910477 525836056 /nfs/dbraw/zinc/83/60/56/525836056.db2.gz HGVZHGYJMVKQTE-SANMLTNESA-N 0 0 446.572 5.850 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccccc2Cl)cc1 ZINC000032974886 525838946 /nfs/dbraw/zinc/83/89/46/525838946.db2.gz MTQHMAAFQXZZOD-UHFFFAOYSA-N 0 0 429.951 5.750 50 0 IKAARN Cc1ccc(-c2nnc(CCC(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)o2)cc1 ZINC000012929646 525842635 /nfs/dbraw/zinc/84/26/35/525842635.db2.gz MYIBTSDOGBPPEJ-KSMUDLHBSA-N 0 0 449.554 5.391 50 0 IKAARN Cc1ccc(-c2nnc(CCC(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)o2)cc1 ZINC000012929641 525842998 /nfs/dbraw/zinc/84/29/98/525842998.db2.gz MYIBTSDOGBPPEJ-QCTGCNBBSA-N 0 0 449.554 5.391 50 0 IKAARN Cc1ccc(-c2nnc(CSc3nc4cc(Cl)ccc4n3C3CCCCC3)o2)o1 ZINC000012462519 525844495 /nfs/dbraw/zinc/84/44/95/525844495.db2.gz HNBKYTZGNAILRQ-UHFFFAOYSA-N 0 0 428.945 6.439 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cc(C)ccc3F)C2)c1 ZINC000021147694 525858314 /nfs/dbraw/zinc/85/83/14/525858314.db2.gz KHVMAXSJGRKYJN-UHFFFAOYSA-N 0 0 447.535 6.069 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)c1 ZINC000012195655 525859135 /nfs/dbraw/zinc/85/91/35/525859135.db2.gz ZRJVQQDBLOTKDL-LADGPHEKSA-N 0 0 436.964 6.313 50 0 IKAARN Cc1c(NC(=O)c2ccccc2C(F)(F)F)cccc1C(=O)N1CCc2sccc2C1 ZINC000012777131 525862765 /nfs/dbraw/zinc/86/27/65/525862765.db2.gz AAXSXKPOKAUMJO-UHFFFAOYSA-N 0 0 444.478 5.526 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000015724717 525867033 /nfs/dbraw/zinc/86/70/33/525867033.db2.gz JUBQBENOGAUDCO-RUZDIDTESA-N 0 0 429.951 6.618 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015725284 525867219 /nfs/dbraw/zinc/86/72/19/525867219.db2.gz OEZHNLGQDOZYEY-AREMUKBSSA-N 0 0 443.978 6.926 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)c2ccc(Br)o2)cc1 ZINC000033115570 525867594 /nfs/dbraw/zinc/86/75/94/525867594.db2.gz HWDSGHHQCBVCDF-HSZRJFAPSA-N 0 0 447.332 5.887 50 0 IKAARN Cc1c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cccc1-c1nc2ncccc2o1 ZINC000001408522 525867837 /nfs/dbraw/zinc/86/78/37/525867837.db2.gz WUYZNUUDPFUWDD-UHFFFAOYSA-N 0 0 430.533 5.448 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000033115660 525867934 /nfs/dbraw/zinc/86/79/34/525867934.db2.gz POPXXFYOXORITF-AREMUKBSSA-N 0 0 428.557 5.388 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021536583 525868019 /nfs/dbraw/zinc/86/80/19/525868019.db2.gz FQCHBFFAAISVKS-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000015724747 525868227 /nfs/dbraw/zinc/86/82/27/525868227.db2.gz IJGNUUDYPYFIHZ-XMMPIXPASA-N 0 0 449.476 6.675 50 0 IKAARN Cc1ccc(-c2noc(CN(C(=O)c3occc3Br)C3CCCCC3)n2)cc1 ZINC000012655141 525878657 /nfs/dbraw/zinc/87/86/57/525878657.db2.gz RYJICIRBLDTDEQ-UHFFFAOYSA-N 0 0 444.329 5.376 50 0 IKAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3-c3ccccc3)n2)cc1F ZINC000012551726 525881738 /nfs/dbraw/zinc/88/17/38/525881738.db2.gz XHYFBQBOXTVMTD-UHFFFAOYSA-N 0 0 433.468 5.317 50 0 IKAARN C[C@@H](OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1nc2ccccc2s1 ZINC000016699224 525885022 /nfs/dbraw/zinc/88/50/22/525885022.db2.gz CBOVVZMPYDEDAL-QGZVFWFLSA-N 0 0 444.556 5.606 50 0 IKAARN Cc1c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 ZINC000012868216 525886929 /nfs/dbraw/zinc/88/69/29/525886929.db2.gz CZRFPZYZFBFQLY-CQSZACIVSA-N 0 0 426.442 5.101 50 0 IKAARN Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc(N5CCOCC5)c(Cl)c4)cc32)cc1 ZINC000020854281 525890488 /nfs/dbraw/zinc/89/04/88/525890488.db2.gz DYLYDNAQBDOBRX-UHFFFAOYSA-N 0 0 447.922 5.546 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc(-c3cccs3)no2)cc1 ZINC000012415809 525893521 /nfs/dbraw/zinc/89/35/21/525893521.db2.gz ZXTVLXYGJRNOIY-UHFFFAOYSA-N 0 0 432.530 5.098 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2coc(-c3ccccc3)n2)cc1 ZINC000021369713 525894502 /nfs/dbraw/zinc/89/45/02/525894502.db2.gz XCDSJLIQAMKZRO-UHFFFAOYSA-N 0 0 425.513 5.641 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2[C@@H](C)N(CCC(C)C)C(=O)C2CC2)c(C)c1 ZINC000035689125 525894676 /nfs/dbraw/zinc/89/46/76/525894676.db2.gz YBBMQOAEHBAHOP-HXUWFJFHSA-N 0 0 431.580 5.348 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2cccc(C(F)(F)F)c2)cc1Cl ZINC000033096832 525894888 /nfs/dbraw/zinc/89/48/88/525894888.db2.gz USVYLJXGJZETLB-BENRWUELSA-N 0 0 440.852 6.537 50 0 IKAARN Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3c2=O)cc1 ZINC000023143774 525895341 /nfs/dbraw/zinc/89/53/41/525895341.db2.gz RXNKEMJDXHYPCJ-UHFFFAOYSA-N 0 0 437.421 5.274 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N(C)C3CCC(C)CC3)nnc2-c2cccnc2)c(C)c1 ZINC000021981664 525897997 /nfs/dbraw/zinc/89/79/97/525897997.db2.gz MEUCGBHUFBTQLK-UHFFFAOYSA-N 0 0 449.624 5.075 50 0 IKAARN Cc1ccc(-n2c(SCc3coc(-c4ccc(F)cc4)n3)nnc2-c2ccncc2)cc1 ZINC000012825575 525901045 /nfs/dbraw/zinc/90/10/45/525901045.db2.gz MUJSIRWGLPAHNB-UHFFFAOYSA-N 0 0 443.507 5.724 50 0 IKAARN Cc1ccc(-n2c(SCc3cc(F)cc(F)c3)nnc2-c2ccccc2Cl)cc1 ZINC000035848201 525901110 /nfs/dbraw/zinc/90/11/10/525901110.db2.gz FAYHPXPETNHJLS-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)OCc3ccccc3)nnc2-c2ccccc2Cl)cc1 ZINC000035848192 525901598 /nfs/dbraw/zinc/90/15/98/525901598.db2.gz PISUMIUZJSDQMC-UHFFFAOYSA-N 0 0 449.963 5.732 50 0 IKAARN Cc1ccc(-n2c(SCc3c(F)cccc3Cl)nnc2-c2ccc(F)cc2)cc1 ZINC000035847852 525901836 /nfs/dbraw/zinc/90/18/36/525901836.db2.gz XFRXSKJVYWJONB-UHFFFAOYSA-N 0 0 427.907 6.467 50 0 IKAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc(F)c(Cl)c4)CC3)cn2)cc1C ZINC000035403502 525907186 /nfs/dbraw/zinc/90/71/86/525907186.db2.gz ICSQXMBQXAEORB-UHFFFAOYSA-N 0 0 438.934 5.009 50 0 IKAARN Cc1c([C@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cnn1-c1ccccc1 ZINC000058158175 525908132 /nfs/dbraw/zinc/90/81/32/525908132.db2.gz DPEXSYREVIOVMD-YFIXDKARSA-N 0 0 438.531 5.045 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025191 525912345 /nfs/dbraw/zinc/91/23/45/525912345.db2.gz JJEUKYXGNUVZNT-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN Cc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2NC(=O)C2CCC2)cc1C ZINC000012369523 525922211 /nfs/dbraw/zinc/92/22/11/525922211.db2.gz ZBOKXKMETGVSOX-UHFFFAOYSA-N 0 0 429.442 5.793 50 0 IKAARN Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1Cl ZINC000021017658 525922554 /nfs/dbraw/zinc/92/25/54/525922554.db2.gz AXXRYIOLVXREKX-UHFFFAOYSA-N 0 0 427.891 5.974 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000012915008 525924951 /nfs/dbraw/zinc/92/49/51/525924951.db2.gz XAOIWYVMVNRJGB-LLVKDONJSA-N 0 0 426.822 5.113 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000012417691 525926282 /nfs/dbraw/zinc/92/62/82/525926282.db2.gz UIILXEDQKHSJDS-OWCLPIDISA-N 0 0 449.378 5.803 50 0 IKAARN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000035730369 525928141 /nfs/dbraw/zinc/92/81/41/525928141.db2.gz MSHURHZEGPMHLC-UHFFFAOYSA-N 0 0 446.595 5.843 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000012915013 525930933 /nfs/dbraw/zinc/93/09/33/525930933.db2.gz XAOIWYVMVNRJGB-NSHDSACASA-N 0 0 426.822 5.113 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000012137059 525932896 /nfs/dbraw/zinc/93/28/96/525932896.db2.gz KGQZNHXAWYJMNA-HNNXBMFYSA-N 0 0 449.378 5.804 50 0 IKAARN Cc1c2c(cn[nH]c2=O)c(-c2ccccc2)n1CCSCc1c(Cl)cccc1Cl ZINC000012369535 525935505 /nfs/dbraw/zinc/93/55/05/525935505.db2.gz GIPYSPFPLPPOOU-UHFFFAOYSA-N 0 0 444.387 5.940 50 0 IKAARN CSc1ccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000020241217 525946436 /nfs/dbraw/zinc/94/64/36/525946436.db2.gz VCPVUZOYUVFYFW-UHFFFAOYSA-N 0 0 432.998 5.575 50 0 IKAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N(Cc1ccc(OCC2(C)COC2)cc1)C1CC1 ZINC000012207474 525950864 /nfs/dbraw/zinc/95/08/64/525950864.db2.gz SGIRVKYFKXKYSQ-UHFFFAOYSA-N 0 0 438.955 5.350 50 0 IKAARN Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(C)(C)C)cc1 ZINC000012654619 525959636 /nfs/dbraw/zinc/95/96/36/525959636.db2.gz ODRPFMPSCGWPON-XDJHFCHBSA-N 0 0 428.532 5.102 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3NC2=O)cc1 ZINC000020355262 525960273 /nfs/dbraw/zinc/96/02/73/525960273.db2.gz JZHRIMGDDQWTGH-DUYBAWCLSA-N 0 0 442.584 5.831 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(CCc1ccc(F)cc1)C3 ZINC000020502093 525961571 /nfs/dbraw/zinc/96/15/71/525961571.db2.gz YEWPWZZLFBOHJC-UHFFFAOYSA-N 0 0 443.518 5.534 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(C[C@H](C)c1ccccc1)C3 ZINC000020610385 525961987 /nfs/dbraw/zinc/96/19/87/525961987.db2.gz JZRGADSHALLJLX-IBGZPJMESA-N 0 0 439.555 5.956 50 0 biogenic IKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(C[C@@H](C)c1ccccc1)CO3 ZINC000020609935 525965083 /nfs/dbraw/zinc/96/50/83/525965083.db2.gz NWABIRLEKXCORB-LJQANCHMSA-N 0 0 425.528 5.648 50 0 biogenic IKAARN Cc1c2ccc(NC(=O)c3ccc(Br)cc3)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015390614 525966120 /nfs/dbraw/zinc/96/61/20/525966120.db2.gz BAPWJMLZFTWGOC-UHFFFAOYSA-N 0 0 448.316 6.295 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022508427 525980184 /nfs/dbraw/zinc/98/01/84/525980184.db2.gz GMTITNFRUQRUIS-LJAQVGFWSA-N 0 0 437.587 5.343 50 0 IKAARN Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)c(C)c1 ZINC000021784249 525988300 /nfs/dbraw/zinc/98/83/00/525988300.db2.gz DACHHELQZQZFSV-QGZVFWFLSA-N 0 0 425.941 5.219 50 0 IKAARN Cc1c2ccccc2sc1-c1csc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1 ZINC000012369453 525991696 /nfs/dbraw/zinc/99/16/96/525991696.db2.gz PCZBOSXMYISZLU-UHFFFAOYSA-N 0 0 444.330 8.326 50 0 IKAARN Cc1c2ccccc2sc1C(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000012567580 525991765 /nfs/dbraw/zinc/99/17/65/525991765.db2.gz SXFNLZTZTJNLMY-UHFFFAOYSA-N 0 0 425.604 5.763 50 0 IKAARN C[C@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012910762 525999798 /nfs/dbraw/zinc/99/97/98/525999798.db2.gz DTPVLPJUTHBNIE-NSHDSACASA-N 0 0 446.926 5.719 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012622860 526001062 /nfs/dbraw/zinc/00/10/62/526001062.db2.gz ITWORVGPMIAHMC-JTQLQIEISA-N 0 0 441.771 5.343 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012622857 526001294 /nfs/dbraw/zinc/00/12/94/526001294.db2.gz ITWORVGPMIAHMC-SNVBAGLBSA-N 0 0 441.771 5.343 50 0 IKAARN C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2n1C1CC1)C(=O)c1ccc2c(c1)CCC2 ZINC000012364899 526002009 /nfs/dbraw/zinc/00/20/09/526002009.db2.gz MJLPKRYQFWXKAO-CYBMUJFWSA-N 0 0 430.495 6.242 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000012779500 526003230 /nfs/dbraw/zinc/00/32/30/526003230.db2.gz ZIEWGCRESHUQJP-VGOFRKELSA-N 0 0 447.604 5.186 50 0 IKAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012781984 526006009 /nfs/dbraw/zinc/00/60/09/526006009.db2.gz VSLYOKLCCCSMNH-GFCCVEGCSA-N 0 0 444.347 5.242 50 0 IKAARN C[C@@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)Nc1cccc2ccccc21 ZINC000012592985 526007286 /nfs/dbraw/zinc/00/72/86/526007286.db2.gz WMJOHMZQOYEHEA-CYBMUJFWSA-N 0 0 441.578 6.075 50 0 IKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nnc(-c2cccs2)o1 ZINC000012598716 526008274 /nfs/dbraw/zinc/00/82/74/526008274.db2.gz HYUNKELBVUUNAF-WDEREUQCSA-N 0 0 430.580 5.888 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NCc1cccs1 ZINC000009833722 526008673 /nfs/dbraw/zinc/00/86/73/526008673.db2.gz DVUWHSMFJJCLLB-INIZCTEOSA-N 0 0 432.574 5.064 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012675495 526010831 /nfs/dbraw/zinc/01/08/31/526010831.db2.gz NGPNXNZMFPVWLQ-LBPRGKRZSA-N 0 0 435.578 5.309 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012679096 526011300 /nfs/dbraw/zinc/01/13/00/526011300.db2.gz FJMGQZDXKLUFSA-JTQLQIEISA-N 0 0 439.393 5.768 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012511390 526011327 /nfs/dbraw/zinc/01/13/27/526011327.db2.gz QYBILFITAVCJBP-INIZCTEOSA-N 0 0 448.592 5.493 50 0 IKAARN C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000012755642 526013228 /nfs/dbraw/zinc/01/32/28/526013228.db2.gz TYWCELCBAAWROI-AWEZNQCLSA-N 0 0 425.583 5.453 50 0 IKAARN C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000022377720 526013461 /nfs/dbraw/zinc/01/34/61/526013461.db2.gz ZOTXPCJKCSFKKH-GFCCVEGCSA-N 0 0 432.427 5.583 50 0 IKAARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4C)cccn3c2=O)nn1-c1ccccc1 ZINC000035911290 526037212 /nfs/dbraw/zinc/03/72/12/526037212.db2.gz VNWLMXSLJYWNMD-UHFFFAOYSA-N 0 0 436.515 5.051 50 0 IKAARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4)cccn3c2=O)nn1-c1ccc(C)cc1 ZINC000035911298 526037407 /nfs/dbraw/zinc/03/74/07/526037407.db2.gz COMDZMCMCULZQG-UHFFFAOYSA-N 0 0 436.515 5.051 50 0 IKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)Nc4cccc(F)c4)nc3c2)ccc1F ZINC000034908693 526042087 /nfs/dbraw/zinc/04/20/87/526042087.db2.gz KSNXZQHWQCHCNI-JOCHJYFZSA-N 0 0 433.458 6.450 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000015724745 526047346 /nfs/dbraw/zinc/04/73/46/526047346.db2.gz IJGNUUDYPYFIHZ-DEOSSOPVSA-N 0 0 449.476 6.675 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2Cl)cc1 ZINC000021536585 526048604 /nfs/dbraw/zinc/04/86/04/526048604.db2.gz PERGJSVECHNPPA-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000021536590 526048972 /nfs/dbraw/zinc/04/89/72/526048972.db2.gz JQQPIJURRNFZHN-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000021892792 526049345 /nfs/dbraw/zinc/04/93/45/526049345.db2.gz UAAJLMCANNZUNU-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000035912976 526049495 /nfs/dbraw/zinc/04/94/95/526049495.db2.gz XFHUBCHJSIYGGD-UHFFFAOYSA-N 0 0 438.361 5.381 50 0 IKAARN 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Cc1cc(Br)ccc1NC(=O)CN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012779955 526170880 /nfs/dbraw/zinc/17/08/80/526170880.db2.gz YZQHLDCDHSBQLN-HXUWFJFHSA-N 0 0 433.346 5.276 50 0 IKAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccc(Cl)cc1Cl ZINC000012865530 526177744 /nfs/dbraw/zinc/17/77/44/526177744.db2.gz OPGFAUUUWXKMRG-NSHDSACASA-N 0 0 434.348 5.744 50 0 IKAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000012792207 526178757 /nfs/dbraw/zinc/17/87/57/526178757.db2.gz BAXNSWBRCMGPNG-NSHDSACASA-N 0 0 434.348 5.744 50 0 IKAARN COc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)c1 ZINC000013361667 526180100 /nfs/dbraw/zinc/18/01/00/526180100.db2.gz UIBRCLAOOZXTLY-UHFFFAOYSA-N 0 0 433.508 5.099 50 0 IKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000012792202 526183168 /nfs/dbraw/zinc/18/31/68/526183168.db2.gz BAXNSWBRCMGPNG-LLVKDONJSA-N 0 0 434.348 5.744 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000021888787 526190479 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COc1cccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C(F)(F)F)nn32)c1 ZINC000021150477 526212083 /nfs/dbraw/zinc/21/20/83/526212083.db2.gz ZNYVXAASEVMJDS-UHFFFAOYSA-N 0 0 432.833 6.129 50 0 IKAARN COc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)cs2)c1 ZINC000035730461 526213016 /nfs/dbraw/zinc/21/30/16/526213016.db2.gz HMOGSYNASKQYMC-UHFFFAOYSA-N 0 0 435.936 6.468 50 0 IKAARN Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1cc(F)cc(F)c1 ZINC000035372028 526216812 /nfs/dbraw/zinc/21/68/12/526216812.db2.gz VGCNIXOLHJWJKT-UHFFFAOYSA-N 0 0 429.470 5.229 50 0 IKAARN Cc1ccc2c(c1)c1ncn([C@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(Cl)cc1 ZINC000035400695 526217599 /nfs/dbraw/zinc/21/75/99/526217599.db2.gz NZWPKKJYCPTVJT-GOSISDBHSA-N 0 0 427.935 5.971 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1ccccc1Cl ZINC000035400845 526218116 /nfs/dbraw/zinc/21/81/16/526218116.db2.gz FQDAGANOUBHHKY-UHFFFAOYSA-N 0 0 448.353 6.063 50 0 IKAARN C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016698978 526218373 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/nfs/dbraw/zinc/23/28/21/526232821.db2.gz ZOCKVCBOZDFMSQ-UHFFFAOYSA-N 0 0 431.923 5.214 50 0 IKAARN COc1cccc(Oc2c(CN(C(=O)C3CCC3)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000035972780 526240208 /nfs/dbraw/zinc/24/02/08/526240208.db2.gz VMCNZADEGTYWBQ-UHFFFAOYSA-N 0 0 431.536 5.273 50 0 IKAARN COc1cccc(Oc2c(CN(CC3CC3)C(=O)NC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000035973150 526241066 /nfs/dbraw/zinc/24/10/66/526241066.db2.gz FVSSYFITBWDAGN-UHFFFAOYSA-N 0 0 448.567 5.312 50 0 IKAARN COc1cccc(Oc2c(CN(CC(C)C)C(=O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980220 526241240 /nfs/dbraw/zinc/24/12/40/526241240.db2.gz OWPQGZRKULHAOQ-UHFFFAOYSA-N 0 0 435.568 5.529 50 0 IKAARN COc1cccc(Oc2c(CN(CC3CC3)C(=O)C3CCC3)c(C)nn2-c2ccccc2)c1 ZINC000035972904 526241353 /nfs/dbraw/zinc/24/13/53/526241353.db2.gz DGFRWSIJUDQSQQ-UHFFFAOYSA-N 0 0 445.563 5.520 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ncnc5ccccc54)cc3)sc2c1 ZINC000033386815 526241457 /nfs/dbraw/zinc/24/14/57/526241457.db2.gz YSMXGBDINUJBKL-UHFFFAOYSA-N 0 0 426.501 5.232 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCCCC4)cc3)cc(-c3ccccc3)c2c1 ZINC000012759385 526241501 /nfs/dbraw/zinc/24/15/01/526241501.db2.gz SNXNXHLUYUGMEW-UHFFFAOYSA-N 0 0 435.571 6.302 50 0 IKAARN Cc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(F)cc4)cs3)c3ccccn32)cc1 ZINC000020441905 526241827 /nfs/dbraw/zinc/24/18/27/526241827.db2.gz LQBGCVMCOQUOJZ-UHFFFAOYSA-N 0 0 427.504 5.991 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4snc5ccc(Cl)cc54)cc3)sc2c1 ZINC000012559617 526242552 /nfs/dbraw/zinc/24/25/52/526242552.db2.gz VGXXMVNLQYTUTM-UHFFFAOYSA-N 0 0 435.961 6.787 50 0 IKAARN Cc1ccc2nc(COc3cccc(NC(=O)Nc4cccc(Cl)c4C)c3)cc(=O)n2c1 ZINC000021100546 526249959 /nfs/dbraw/zinc/24/99/59/526249959.db2.gz DVVQMXRUPXAPQG-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000012140782 526251296 /nfs/dbraw/zinc/25/12/96/526251296.db2.gz GGHSVASLRKWUDF-UHFFFAOYSA-N 0 0 443.572 5.044 50 0 IKAARN Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)N(C)Cc3ccccc3)CC(C)C)no2)c1 ZINC000036015614 526255866 /nfs/dbraw/zinc/25/58/66/526255866.db2.gz LJISQLORMPZUSD-UHFFFAOYSA-N 0 0 447.579 5.105 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1c2cc(C(C)(C)C)ccc2O/C(=C\c2ccccc2)C1=O ZINC000020727492 526256703 /nfs/dbraw/zinc/25/67/03/526256703.db2.gz DMOJFIRTXGGCQE-OERNHZIJSA-N 0 0 446.591 5.446 50 0 IKAARN Cc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)NC2CCCC2)c1 ZINC000012584992 526257347 /nfs/dbraw/zinc/25/73/47/526257347.db2.gz QUCXYSHNJRVAHC-UHFFFAOYSA-N 0 0 440.012 5.960 50 0 IKAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000012091883 526260887 /nfs/dbraw/zinc/26/08/87/526260887.db2.gz IKFZEFBRBXVGBB-QFIPXVFZSA-N 0 0 438.453 5.017 50 0 IKAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000012091886 526261002 /nfs/dbraw/zinc/26/10/02/526261002.db2.gz IKFZEFBRBXVGBB-JOCHJYFZSA-N 0 0 438.453 5.017 50 0 IKAARN Cc1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602469 526268199 /nfs/dbraw/zinc/26/81/99/526268199.db2.gz ZATLKRPEJKLELM-UHFFFAOYSA-N 0 0 443.256 5.581 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983496 526278905 /nfs/dbraw/zinc/27/89/05/526278905.db2.gz YCLBJGLDPAJYIH-HZHRSRAPSA-N 0 0 432.907 5.075 50 0 IKAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020931467 526279251 /nfs/dbraw/zinc/27/92/51/526279251.db2.gz URAONFTUHOLAEY-UHFFFAOYSA-N 0 0 431.026 5.217 50 0 IKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010627 526279701 /nfs/dbraw/zinc/27/97/01/526279701.db2.gz NLDVRJXHYMQWLM-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN O=C(C1CC1)N1CCOc2c(cc(-c3cccc(Cl)c3)cc2OCc2ccsc2)C1 ZINC000012163838 526285982 /nfs/dbraw/zinc/28/59/82/526285982.db2.gz MKDJVCULDZMAHK-UHFFFAOYSA-N 0 0 439.964 5.779 50 0 IKAARN Cc1nn(Cc2ccc(-c3nc(-c4ccc(Br)o4)no3)cc2)c(C)c1Cl ZINC000012372200 526287534 /nfs/dbraw/zinc/28/75/34/526287534.db2.gz PYPQIBYQKPDHRX-UHFFFAOYSA-N 0 0 433.693 5.274 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c12 ZINC000020605410 526289742 /nfs/dbraw/zinc/28/97/42/526289742.db2.gz MVEVZGQZRYXKMK-UHFFFAOYSA-N 0 0 439.437 5.553 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020615208 526298083 /nfs/dbraw/zinc/29/80/83/526298083.db2.gz CUWVLRAWQFSYIG-UHFFFAOYSA-N 0 0 427.838 5.775 50 0 IKAARN O=C(C1CCCCC1)N(Cc1cccc(OCCc2ccsc2)c1)C[C@H]1CCCO1 ZINC000012245375 526299174 /nfs/dbraw/zinc/29/91/74/526299174.db2.gz XXAZBGGXQHIFRY-XMMPIXPASA-N 0 0 427.610 5.458 50 0 IKAARN O[C@H](c1ccccc1OCc1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000012367609 526300819 /nfs/dbraw/zinc/30/08/19/526300819.db2.gz XUUPVLCDSKGUPG-MDOGIFPYSA-N 0 0 448.006 6.711 50 0 IKAARN Cc1nn([C@@H](C)C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2c3ccccc3sc21 ZINC000020466971 526301875 /nfs/dbraw/zinc/30/18/75/526301875.db2.gz KNDYPFYMFFVROU-ZOBUNQBSSA-N 0 0 449.620 5.202 50 0 IKAARN Cc1nn2c(ncc(C(=O)NCc3cccc(Br)c3)c2C)c1-c1cccc(C)c1 ZINC000015733112 526312702 /nfs/dbraw/zinc/31/27/02/526312702.db2.gz CZNRHHIBPFNLJD-UHFFFAOYSA-N 0 0 449.352 5.014 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3Br)c2C)c1-c1ccc(F)cc1 ZINC000021914054 526312981 /nfs/dbraw/zinc/31/29/81/526312981.db2.gz MAUCBJGSKNDQND-UHFFFAOYSA-N 0 0 439.288 5.167 50 0 IKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2C)c1-c1ccccc1 ZINC000021537938 526313092 /nfs/dbraw/zinc/31/30/92/526313092.db2.gz BUESDGJNOZNZOE-UHFFFAOYSA-N 0 0 433.515 5.251 50 0 IKAARN O=C(C1c2ccccc2Oc2ccccc21)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000022893918 526313579 /nfs/dbraw/zinc/31/35/79/526313579.db2.gz MYASEOQRSYIKAD-KRWDZBQOSA-N 0 0 442.540 5.746 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023426369 526314673 /nfs/dbraw/zinc/31/46/73/526314673.db2.gz PUUDKYLCICPYBM-XLIONFOSSA-N 0 0 449.599 5.374 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012389043 526315012 /nfs/dbraw/zinc/31/50/12/526315012.db2.gz BBSBFKWWJHBYNY-NRFANRHFSA-N 0 0 427.342 5.011 50 0 IKAARN Fc1ccc(-c2nc(-c3ccc(F)c(F)c3)nc(-c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000012374740 526315274 /nfs/dbraw/zinc/31/52/74/526315274.db2.gz NAMCQJMWEGRZRK-UHFFFAOYSA-N 0 0 432.232 6.597 50 0 IKAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)n2)o1 ZINC000023458582 526315350 /nfs/dbraw/zinc/31/53/50/526315350.db2.gz ZNSGWMDINHNMNO-GOSISDBHSA-N 0 0 443.551 5.310 50 0 IKAARN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000020729079 526315421 /nfs/dbraw/zinc/31/54/21/526315421.db2.gz DQWRPJDMWDAUFN-NRFANRHFSA-N 0 0 427.863 5.107 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@H]4C[C@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023426377 526315558 /nfs/dbraw/zinc/31/55/58/526315558.db2.gz PUUDKYLCICPYBM-PXNSSMCTSA-N 0 0 449.599 5.374 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3-c3ccccc3)cs2)cc1 ZINC000012696570 526317052 /nfs/dbraw/zinc/31/70/52/526317052.db2.gz BGAFCMQRFJNOCE-UHFFFAOYSA-N 0 0 434.521 6.082 50 0 IKAARN Fc1ccc(-n2nc(C3CC3)c3c2nc(-c2cccc4ccccc42)cc3C(F)F)cc1 ZINC000020603173 526320940 /nfs/dbraw/zinc/32/09/40/526320940.db2.gz VBSGENPCVJNAPA-UHFFFAOYSA-N 0 0 429.445 7.195 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(I)cc1Cl ZINC000012655650 526335079 /nfs/dbraw/zinc/33/50/79/526335079.db2.gz YXQJKVUCGRKMHI-UHFFFAOYSA-N 0 0 429.729 5.490 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1F ZINC000035840261 526345315 /nfs/dbraw/zinc/34/53/15/526345315.db2.gz OUNGBESUNHLPSR-UHFFFAOYSA-N 0 0 438.286 6.405 50 0 IKAARN Fc1ccc(N2CCN([C@H](c3nnc(-c4ccc(Cl)cc4)o3)c3ccccc3)CC2)cc1 ZINC000021538438 526352314 /nfs/dbraw/zinc/35/23/14/526352314.db2.gz ZLLMPZAXPGYDKT-QHCPKHFHSA-N 0 0 448.929 5.441 50 0 IKAARN Fc1ccc([C@@H](NCc2ccc3c(c2)OCO3)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000020853049 526361406 /nfs/dbraw/zinc/36/14/06/526361406.db2.gz FHWTVROAHHGVSB-OAQYLSRUSA-N 0 0 437.858 5.137 50 0 IKAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCc1ccc(Cl)cc1 ZINC000033113904 526366741 /nfs/dbraw/zinc/36/67/41/526366741.db2.gz OBGJBUUQHLWESF-UHFFFAOYSA-N 0 0 444.362 5.033 50 0 IKAARN Fc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012193888 526367106 /nfs/dbraw/zinc/36/71/06/526367106.db2.gz VJFMKVICVXBPSM-IFMALSPDSA-N 0 0 447.724 7.028 50 0 IKAARN Fc1ccc2c(c1)-c1nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c1CO2 ZINC000020847421 526369140 /nfs/dbraw/zinc/36/91/40/526369140.db2.gz KEQZRHBYNVMRCW-UHFFFAOYSA-N 0 0 432.292 6.877 50 0 IKAARN Cc1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1Cc1ccccc1 ZINC000012634064 526381681 /nfs/dbraw/zinc/38/16/81/526381681.db2.gz DYUFKXCDNQLSIH-UHFFFAOYSA-N 0 0 430.533 5.158 50 0 IKAARN Cc1csc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccc(Br)c2)n1 ZINC000015830418 526381779 /nfs/dbraw/zinc/38/17/79/526381779.db2.gz XXBOWELPQNWALS-SFHVURJKSA-N 0 0 432.774 6.223 50 0 IKAARN S=c1sc2c(nc(-c3ccccc3Cl)nc2N2CCCCC2)n1-c1ccccc1 ZINC000012377130 526388665 /nfs/dbraw/zinc/38/86/65/526388665.db2.gz ZSOONXYOKDACKT-UHFFFAOYSA-N 0 0 439.009 6.522 50 0 IKAARN Fc1cccc(COc2ccc(-c3noc(COc4ccc5ccccc5c4)n3)cc2)c1 ZINC000012360514 526388734 /nfs/dbraw/zinc/38/87/34/526388734.db2.gz GKSODEVUTONRQI-UHFFFAOYSA-N 0 0 426.447 6.187 50 0 IKAARN S=c1n(CCc2ccccc2)c2ccccc2n1CN1CCC(Cc2ccccc2)CC1 ZINC000012565540 526388940 /nfs/dbraw/zinc/38/89/40/526388940.db2.gz IOMCLPVUJQPQDF-UHFFFAOYSA-N 0 0 441.644 6.327 50 0 IKAARN S=c1n(CN2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)n1Cc1ccco1 ZINC000012762503 526388989 /nfs/dbraw/zinc/38/89/89/526388989.db2.gz HPTCFDBSORNGGL-UHFFFAOYSA-N 0 0 445.592 5.030 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000020466660 526395281 /nfs/dbraw/zinc/39/52/81/526395281.db2.gz NXOVJCKJWPKDQQ-UHFFFAOYSA-N 0 0 445.975 6.426 50 0 IKAARN c1c(-c2ccccc2)sc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4)CC3)c12 ZINC000012619397 526396530 /nfs/dbraw/zinc/39/65/30/526396530.db2.gz IHXSRGQBGCDWNQ-UHFFFAOYSA-N 0 0 448.595 6.352 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000012798317 526397873 /nfs/dbraw/zinc/39/78/73/526397873.db2.gz PIPYFLMAAKLLLP-SFHVURJKSA-N 0 0 436.558 5.744 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000022395912 526398145 /nfs/dbraw/zinc/39/81/45/526398145.db2.gz PYYSGZHISRNMEL-UHFFFAOYSA-N 0 0 434.464 6.160 50 0 IKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)Nc2nnc(C3CC3)s2)n1 ZINC000021292627 526398663 /nfs/dbraw/zinc/39/86/63/526398663.db2.gz YJCFRHJDZORLMF-UHFFFAOYSA-N 0 0 428.564 5.471 50 0 IKAARN Cc1csc(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)n1 ZINC000015165559 526399549 /nfs/dbraw/zinc/39/95/49/526399549.db2.gz KDEJOVWDYUPXKR-UHFFFAOYSA-N 0 0 446.648 5.168 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728631 526403497 /nfs/dbraw/zinc/40/34/97/526403497.db2.gz QZZUSDWBWLARIM-PXLXIMEGSA-N 0 0 434.948 5.398 50 0 IKAARN O=C(CCC1CCCC1)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023334885 526405755 /nfs/dbraw/zinc/40/57/55/526405755.db2.gz SBTXFRKSTUHZAI-UHFFFAOYSA-N 0 0 428.363 6.755 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000012566549 526406732 /nfs/dbraw/zinc/40/67/32/526406732.db2.gz ZTUMILLSDHAZNX-UHFFFAOYSA-N 0 0 432.549 6.035 50 0 IKAARN O=C(CCC1CCCCC1)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1 ZINC000012237559 526407993 /nfs/dbraw/zinc/40/79/93/526407993.db2.gz NVPCEVKQNJNYOU-UHFFFAOYSA-N 0 0 426.524 5.152 50 0 IKAARN O=C(OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000012566160 526414186 /nfs/dbraw/zinc/41/41/86/526414186.db2.gz MYRMWJLFCJTGFI-UHFFFAOYSA-N 0 0 441.433 6.719 50 0 IKAARN Fc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1cccc(Cl)c1 ZINC000015636056 526418505 /nfs/dbraw/zinc/41/85/05/526418505.db2.gz REDDTNLLJBZXNR-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN Fc1ccccc1[C@H](Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1 ZINC000020988797 526418818 /nfs/dbraw/zinc/41/88/18/526418818.db2.gz WAUZPHDHNTYTPT-IBGZPJMESA-N 0 0 447.819 6.749 50 0 IKAARN Fc1ccccc1[C@H](Nc1ccc(Br)cc1F)c1nnc(-c2ccccc2)o1 ZINC000020852663 526418835 /nfs/dbraw/zinc/41/88/35/526418835.db2.gz ODGHKZQZPZEVTL-IBGZPJMESA-N 0 0 442.263 5.979 50 0 IKAARN O=C(OCc1cc(F)cc2c1OCOC2)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012897513 526424467 /nfs/dbraw/zinc/42/44/67/526424467.db2.gz BETLMHMTFGZPQJ-ROUUACIJSA-N 0 0 427.497 5.319 50 0 IKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021536091 526424650 /nfs/dbraw/zinc/42/46/50/526424650.db2.gz ICMUEVCOGCNMFN-SANMLTNESA-N 0 0 441.962 5.988 50 0 IKAARN O=C(OCc1cc(F)cc2c1OCOC2)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012897507 526425023 /nfs/dbraw/zinc/42/50/23/526425023.db2.gz BETLMHMTFGZPQJ-ZWKOTPCHSA-N 0 0 427.497 5.319 50 0 IKAARN c1cc(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3ccccc32)n(-c2ncccn2)c1 ZINC000012161836 526425859 /nfs/dbraw/zinc/42/58/59/526425859.db2.gz VQKIXYMWRIRNOR-HSZRJFAPSA-N 0 0 442.544 5.240 50 0 IKAARN O=C(CCCSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000012542081 526452883 /nfs/dbraw/zinc/45/28/83/526452883.db2.gz ROUCAJRNLGLBAZ-UHFFFAOYSA-N 0 0 428.970 5.851 50 0 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c1csc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000012376050 526574399 /nfs/dbraw/zinc/57/43/99/526574399.db2.gz HUSBDYKTTRVDES-SANMLTNESA-N 0 0 435.552 6.571 50 0 IKAARN c1csc(-c2nn(-c3ccccc3)cc2[C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000012559503 526575690 /nfs/dbraw/zinc/57/56/90/526575690.db2.gz IFGSUKJQXHQCDU-MHZLTWQESA-N 0 0 445.551 6.590 50 0 IKAARN c1csc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000035325391 526577049 /nfs/dbraw/zinc/57/70/49/526577049.db2.gz JYFCBRJJVXLESQ-LJQANCHMSA-N 0 0 431.542 5.956 50 0 IKAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000023875465 526584538 /nfs/dbraw/zinc/58/45/38/526584538.db2.gz DARZSLZUOILWSE-UHFFFAOYSA-N 0 0 445.950 5.430 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2)cs1 ZINC000012893854 526586651 /nfs/dbraw/zinc/58/66/51/526586651.db2.gz CCKLTXFCCAIZSX-UHFFFAOYSA-N 0 0 442.631 6.005 50 0 IKAARN O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000019646758 526588283 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O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000021493437 526660204 /nfs/dbraw/zinc/66/02/04/526660204.db2.gz PGTPZLBBYAWIOH-HSZRJFAPSA-N 0 0 438.549 5.711 50 0 IKAARN O=C(c1ccc(Br)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000021715659 526661033 /nfs/dbraw/zinc/66/10/33/526661033.db2.gz VWOUNATYYMNENL-JOCHJYFZSA-N 0 0 432.321 5.113 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035816299 526664978 /nfs/dbraw/zinc/66/49/78/526664978.db2.gz LWBYDCOWZWZCOL-HSZRJFAPSA-N 0 0 443.490 6.172 50 0 IKAARN O=C(NCc1ccc(F)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037765 526672372 /nfs/dbraw/zinc/67/23/72/526672372.db2.gz SXJPKCWQXIAXPC-HXUWFJFHSA-N 0 0 436.874 5.118 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(Cc1nccn1Cc1cccc(Cl)c1)C1CCCCC1 ZINC000035973216 526675126 /nfs/dbraw/zinc/67/51/26/526675126.db2.gz YGCUISRRECCCIV-UHFFFAOYSA-N 0 0 442.390 6.213 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(Cc1nccn1Cc1ccc(F)cc1)C1CCCCC1 ZINC000035979564 526675413 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O=C(Cc1cccc2ccccc21)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022766099 527273891 /nfs/dbraw/zinc/27/38/91/527273891.db2.gz AIKBYPLEXVHZAU-SANMLTNESA-N 0 0 426.585 5.360 50 0 IKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1cccn1Cc1ccccc1)C1CCCCC1 ZINC000035729285 527275371 /nfs/dbraw/zinc/27/53/71/527275371.db2.gz JRNQIJNCFXSEQQ-UHFFFAOYSA-N 0 0 426.557 5.199 50 0 IKAARN O=C(Nc1ccc2c(c1)CN([C@@H]1CCCc3ccccc31)C(=O)CO2)c1ccc(Cl)cc1 ZINC000035885736 527278647 /nfs/dbraw/zinc/27/86/47/527278647.db2.gz BOWVDZMKBLCRKX-HSZRJFAPSA-N 0 0 446.934 5.391 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1ccccc1Br ZINC000033128729 527281405 /nfs/dbraw/zinc/28/14/05/527281405.db2.gz YKNRDXAHUPKIAE-UHFFFAOYSA-N 0 0 436.309 5.296 50 0 IKAARN O=C(Cc1ccccc1)Nc1cccc(N2CCCN(Cc3ccccc3Cl)C2=O)c1 ZINC000034735337 527283370 /nfs/dbraw/zinc/28/33/70/527283370.db2.gz KZFCNQGQZOGDEV-UHFFFAOYSA-N 0 0 433.939 5.354 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047675 527284126 /nfs/dbraw/zinc/28/41/26/527284126.db2.gz KSEALHJZMRRCGX-XMMPIXPASA-N 0 0 446.572 5.578 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021879885 527284729 /nfs/dbraw/zinc/28/47/29/527284729.db2.gz IBLDZBOWUCDJDK-VWLOTQADSA-N 0 0 443.478 5.258 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000035502546 527287726 /nfs/dbraw/zinc/28/77/26/527287726.db2.gz DXXOIFCHZCVLLF-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012432566 527289258 /nfs/dbraw/zinc/28/92/58/527289258.db2.gz VPWZURGZKJLXAN-LJQANCHMSA-N 0 0 444.487 5.334 50 0 IKAARN Cn1cc([C@@H](CC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035891426 527293119 /nfs/dbraw/zinc/29/31/19/527293119.db2.gz KQEFGZMRZGTVGS-DEOSSOPVSA-N 0 0 428.963 5.939 50 0 IKAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1)c1ccc(F)cc1 ZINC000035485318 527295711 /nfs/dbraw/zinc/29/57/11/527295711.db2.gz QJSNMJBRKUHGBK-UHFFFAOYSA-N 0 0 432.860 5.172 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000012419512 527296208 /nfs/dbraw/zinc/29/62/08/527296208.db2.gz AEGNOWRLTRHDHW-UHFFFAOYSA-N 0 0 449.315 5.686 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1Br ZINC000009660238 527306177 /nfs/dbraw/zinc/30/61/77/527306177.db2.gz HTKCPZRNZSGKRN-UHFFFAOYSA-N 0 0 438.252 5.614 50 0 IKAARN NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)cc1 ZINC000022461158 527306575 /nfs/dbraw/zinc/30/65/75/527306575.db2.gz ZEEXYLMJHCZWHV-UHFFFAOYSA-N 0 0 429.328 5.523 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000012581191 527307366 /nfs/dbraw/zinc/30/73/66/527307366.db2.gz MCSNZTSFTBBFBM-HSZRJFAPSA-N 0 0 441.575 5.592 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000012581183 527307822 /nfs/dbraw/zinc/30/78/22/527307822.db2.gz MCSNZTSFTBBFBM-QHCPKHFHSA-N 0 0 441.575 5.592 50 0 IKAARN Cn1cc([C@H](CC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035891428 527312644 /nfs/dbraw/zinc/31/26/44/527312644.db2.gz KQEFGZMRZGTVGS-XMMPIXPASA-N 0 0 428.963 5.939 50 0 IKAARN O=C(Nc1cccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)c1)c1ccco1 ZINC000035453700 527312689 /nfs/dbraw/zinc/31/26/89/527312689.db2.gz WRPUBBSRSCZNDQ-UHFFFAOYSA-N 0 0 439.475 5.714 50 0 IKAARN O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)Nc1ccccc1Br ZINC000021711541 527314791 /nfs/dbraw/zinc/31/47/91/527314791.db2.gz PFGJBSROXBEPNY-UHFFFAOYSA-N 0 0 435.281 5.810 50 0 IKAARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022020379 527322848 /nfs/dbraw/zinc/32/28/48/527322848.db2.gz HFWXWIVTBNUWPV-OUKQBFOZSA-N 0 0 444.512 5.071 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000035502600 527325073 /nfs/dbraw/zinc/32/50/73/527325073.db2.gz UXCROGGAJNMQKF-UHFFFAOYSA-N 0 0 445.320 5.902 50 0 IKAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000022229580 527328813 /nfs/dbraw/zinc/32/88/13/527328813.db2.gz OBJGSCXFZWGQPY-UHFFFAOYSA-N 0 0 434.546 5.246 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000022490862 527329312 /nfs/dbraw/zinc/32/93/12/527329312.db2.gz CORSEHLYGRYIAS-UHFFFAOYSA-N 0 0 426.442 5.018 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000020489948 527330083 /nfs/dbraw/zinc/33/00/83/527330083.db2.gz KWRXTJWQSVLANC-UHFFFAOYSA-N 0 0 438.453 5.361 50 0 IKAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000012805741 527331930 /nfs/dbraw/zinc/33/19/30/527331930.db2.gz LKAPFFNSHYNADX-UHFFFAOYSA-N 0 0 444.837 5.725 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000020556891 527332770 /nfs/dbraw/zinc/33/27/70/527332770.db2.gz IXBLVRHQKVYYIU-UHFFFAOYSA-N 0 0 433.861 6.201 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000012375697 527333212 /nfs/dbraw/zinc/33/32/12/527333212.db2.gz KHCPMYXLCRJFDG-UHFFFAOYSA-N 0 0 443.812 6.328 50 0 IKAARN O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000012901689 527333834 /nfs/dbraw/zinc/33/38/34/527333834.db2.gz BFTKDPNNSZJKIP-LCMVAZINSA-N 0 0 437.568 5.161 50 0 IKAARN O=C(Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1)NC1CCCCC1 ZINC000013347904 527337013 /nfs/dbraw/zinc/33/70/13/527337013.db2.gz QOVFSDYRLMWZOV-UHFFFAOYSA-N 0 0 438.575 6.265 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2[C@H](CCC[C@H]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000035132272 527342424 /nfs/dbraw/zinc/34/24/24/527342424.db2.gz OXLKVVAPTOWHKX-PMWMKWCKSA-N 0 0 443.978 6.944 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 ZINC000012463743 527346454 /nfs/dbraw/zinc/34/64/54/527346454.db2.gz LZHRBDGLHJDCNC-QYQHSDTDSA-N 0 0 440.286 5.625 50 0 IKAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCCc1c[nH]c2ccccc12 ZINC000035373604 527348325 /nfs/dbraw/zinc/34/83/25/527348325.db2.gz ZSINRPZOMOTGIO-UHFFFAOYSA-N 0 0 433.964 5.863 50 0 IKAARN O=C(Nc1cccc(F)c1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000035181124 527352041 /nfs/dbraw/zinc/35/20/41/527352041.db2.gz FEIDMVRZBZVGHK-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)CC2 ZINC000014968315 527352094 /nfs/dbraw/zinc/35/20/94/527352094.db2.gz CRQZROAPCVLLQD-NRFANRHFSA-N 0 0 440.946 5.168 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012533140 527361844 /nfs/dbraw/zinc/36/18/44/527361844.db2.gz HPOBTHBBVCMMJU-OAQYLSRUSA-N 0 0 444.840 6.041 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1Cl ZINC000035927299 527373423 /nfs/dbraw/zinc/37/34/23/527373423.db2.gz KOLBWEPOBRKCES-JOCHJYFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1)c1cccs1 ZINC000035927047 527373636 /nfs/dbraw/zinc/37/36/36/527373636.db2.gz RZOBLJBQSRCGNZ-HXUWFJFHSA-N 0 0 448.491 5.798 50 0 IKAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)NCCc1cccs1 ZINC000021656919 527384256 /nfs/dbraw/zinc/38/42/56/527384256.db2.gz WWQGTSWIQNHKPK-UHFFFAOYSA-N 0 0 427.982 5.352 50 0 IKAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cccc(OCc3ccccc3)c2)s1 ZINC000012727472 527400059 /nfs/dbraw/zinc/40/00/59/527400059.db2.gz MTSWKNHUOGEWGW-QNGOZBTKSA-N 0 0 447.947 6.106 50 0 IKAARN O=C(Nc1ccccc1Br)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035446679 527405935 /nfs/dbraw/zinc/40/59/35/527405935.db2.gz BKSBTHFRDPFDEW-UHFFFAOYSA-N 0 0 437.341 5.189 50 0 biogenic IKAARN O=C(Nc1ccccc1C(=O)N[C@H]1CCCc2ccccc21)c1nsc2ccccc21 ZINC000035510349 527410476 /nfs/dbraw/zinc/41/04/76/527410476.db2.gz GYGDDUNIBDDWJX-FQEVSTJZSA-N 0 0 427.529 5.356 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021536399 527410906 /nfs/dbraw/zinc/41/09/06/527410906.db2.gz UBAUKOUPQQQFGK-XMMPIXPASA-N 0 0 447.460 6.633 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000012823502 527425633 /nfs/dbraw/zinc/42/56/33/527425633.db2.gz FIXAUJPYUYKYPG-UHFFFAOYSA-N 0 0 429.332 5.770 50 0 IKAARN O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020736110 527428516 /nfs/dbraw/zinc/42/85/16/527428516.db2.gz QYGQQFKCFAFMIK-XMMPIXPASA-N 0 0 426.516 5.478 50 0 IKAARN Nc1c(NC(=O)N2CCCC2)c(-c2ccc(Cl)cc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000034785675 527434761 /nfs/dbraw/zinc/43/47/61/527434761.db2.gz WKHZLLMQSLFKEN-UHFFFAOYSA-N 0 0 449.864 5.421 50 0 IKAARN O=C(Nc1ccccc1SC[C@@H](O)CSc1cccs1)c1ccc(Cl)cc1 ZINC000001028193 527434986 /nfs/dbraw/zinc/43/49/86/527434986.db2.gz SLVIZOLTYZSDPE-MRXNPFEDSA-N 0 0 436.023 5.899 50 0 IKAARN Nc1c(NC(=O)NCC2CCCCC2)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1 ZINC000034785486 527434940 /nfs/dbraw/zinc/43/49/40/527434940.db2.gz QTVQYVVQIYEZDL-UHFFFAOYSA-N 0 0 437.975 5.536 50 0 IKAARN O=C(Nc1ccccc1SCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 ZINC000021709240 527435086 /nfs/dbraw/zinc/43/50/86/527435086.db2.gz QQTDXXIKHIFDMT-UHFFFAOYSA-N 0 0 431.473 5.010 50 0 IKAARN Nc1c(NC(=O)NC2CCCCC2)c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000035868111 527435349 /nfs/dbraw/zinc/43/53/49/527435349.db2.gz FIIHOZGAOQVUMQ-UHFFFAOYSA-N 0 0 443.473 5.595 50 0 IKAARN O=C(Nc1ccccc1Sc1ccccc1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000020767696 527435450 /nfs/dbraw/zinc/43/54/50/527435450.db2.gz AXTSEWJCVMNTSM-UHFFFAOYSA-N 0 0 433.558 5.038 50 0 IKAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCc1ccc(F)cc1)nc2-c1ccccc1 ZINC000035925710 527436350 /nfs/dbraw/zinc/43/63/50/527436350.db2.gz MRRFGHQKWOUVCJ-UHFFFAOYSA-N 0 0 444.901 5.469 50 0 IKAARN O=c1nc(CSc2ccc3c(c2)OCCO3)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000012568985 527437636 /nfs/dbraw/zinc/43/76/36/527437636.db2.gz SUFOJMIYUYPUBU-UHFFFAOYSA-N 0 0 442.949 5.369 50 0 IKAARN Nc1c2c(nn1-c1ccccc1)nc(NCc1ccc(F)cc1)nc2-c1ccc(Cl)cc1 ZINC000035925716 527437833 /nfs/dbraw/zinc/43/78/33/527437833.db2.gz ICTJOEJYYADDGJ-UHFFFAOYSA-N 0 0 444.901 5.469 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(Cl)cc1)CCN(Cc1ccccc1)C3 ZINC000020289829 527438146 /nfs/dbraw/zinc/43/81/46/527438146.db2.gz LDZZMZMQFXPGKV-UHFFFAOYSA-N 0 0 433.964 5.321 50 0 IKAARN O=C(N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000022596398 527438876 /nfs/dbraw/zinc/43/88/76/527438876.db2.gz UIRCBVPVCCTJHW-UHFFFAOYSA-N 0 0 441.925 5.009 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(Cl)cc1 ZINC000022749859 527453161 /nfs/dbraw/zinc/45/31/61/527453161.db2.gz MPZSBFVFORCDFU-FQEVSTJZSA-N 0 0 425.916 5.461 50 0 IKAARN O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1CCc1ccccc1)CCS2 ZINC000012140525 527456473 /nfs/dbraw/zinc/45/64/73/527456473.db2.gz BNLQWAJCFFBHLS-UHFFFAOYSA-N 0 0 449.428 5.733 50 0 IKAARN O=c1c2c(nc(SCc3ccccc3F)n1-c1cccc(C(F)(F)F)c1)CCS2 ZINC000012140591 527456544 /nfs/dbraw/zinc/45/65/44/527456544.db2.gz LFAMOJBXXPEBPV-UHFFFAOYSA-N 0 0 438.471 5.331 50 0 IKAARN O=c1c2ccc(OCc3ccc(Cl)cc3)cc2occ1-c1ccc(Br)cc1 ZINC000002667554 527462697 /nfs/dbraw/zinc/46/26/97/527462697.db2.gz YGEUYHXGZGKDLX-UHFFFAOYSA-N 0 0 441.708 6.455 50 0 IKAARN O=c1c2ccc(Cl)cc2nc(/C=C/c2ccc(OC(F)F)cc2)n1-c1ccc(F)cc1 ZINC000020662653 527463504 /nfs/dbraw/zinc/46/35/04/527463504.db2.gz QDLMHQDRLGFEGJ-KGVSQERTSA-N 0 0 442.824 5.950 50 0 IKAARN O=c1c2ccccc2nc(SCc2cc(F)c(F)cc2Cl)n1CCc1ccccc1 ZINC000012376347 527465398 /nfs/dbraw/zinc/46/53/98/527465398.db2.gz MIHSEJWWKVMIFL-UHFFFAOYSA-N 0 0 442.918 5.863 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Cl)cc1 ZINC000022749871 527465446 /nfs/dbraw/zinc/46/54/46/527465446.db2.gz JXCUJAQFOMGOEZ-HSZRJFAPSA-N 0 0 449.913 5.311 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1cc(Cl)ccc1Cl ZINC000035911025 527466517 /nfs/dbraw/zinc/46/65/17/527466517.db2.gz JFHCPRHUPHBXQX-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000035597708 527466962 /nfs/dbraw/zinc/46/69/62/527466962.db2.gz SRORGPAJWOMWSI-UHFFFAOYSA-N 0 0 428.492 5.008 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1F ZINC000035910996 527466922 /nfs/dbraw/zinc/46/69/22/527466922.db2.gz YUBUAGXOAAGFQN-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1-c1cc(Cl)ccc1Cl ZINC000035911028 527467112 /nfs/dbraw/zinc/46/71/12/527467112.db2.gz GUOBBVTWQIZEAR-UHFFFAOYSA-N 0 0 447.774 6.638 50 0 IKAARN O=c1c2ccccc2occ1-c1cc(-c2ccc(F)cc2)nc2c1COc1ccc(F)cc1-2 ZINC000020847496 527469206 /nfs/dbraw/zinc/46/92/06/527469206.db2.gz LAKRSRPGKOSDIW-UHFFFAOYSA-N 0 0 439.417 6.360 50 0 IKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc(Cl)cc1Cl)CO3 ZINC000020610322 527474625 /nfs/dbraw/zinc/47/46/25/527474625.db2.gz JAZBJCJJJVZJBE-UHFFFAOYSA-N 0 0 438.310 6.119 50 0 biogenic IKAARN O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(Br)cc1 ZINC000065257856 527477074 /nfs/dbraw/zinc/47/70/74/527477074.db2.gz GOZAUPMPGAGVFQ-UHFFFAOYSA-N 0 0 426.314 5.089 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(COc2ccc(Br)cc2)o1 ZINC000020608400 527478998 /nfs/dbraw/zinc/47/89/98/527478998.db2.gz BULWIKVKMGBWCV-UHFFFAOYSA-N 0 0 430.342 5.320 50 0 IKAARN O=C(Nc1csc(-c2ccc(Cl)cc2)c1)c1cccnc1Oc1ccc(Cl)cc1 ZINC000012340627 527495457 /nfs/dbraw/zinc/49/54/57/527495457.db2.gz MQUYBRDQLKNDQZ-UHFFFAOYSA-N 0 0 441.339 7.162 50 0 IKAARN O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736357 527495615 /nfs/dbraw/zinc/49/56/15/527495615.db2.gz MEUWNRFRBCPDDG-OYKKKHCWSA-N 0 0 444.531 5.398 50 0 IKAARN O=C(Nc1nc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)cs1)c1cccc(F)c1 ZINC000090451230 527498818 /nfs/dbraw/zinc/49/88/18/527498818.db2.gz WPZDHMHRLYISRQ-UHFFFAOYSA-N 0 0 435.455 5.593 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000012933448 527500591 /nfs/dbraw/zinc/50/05/91/527500591.db2.gz UGSLNKLULWNWDA-UHFFFAOYSA-N 0 0 431.561 5.064 50 0 IKAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)C1CCN(C(=O)c2cccs2)CC1 ZINC000018118835 527502001 /nfs/dbraw/zinc/50/20/01/527502001.db2.gz ORFKBLGEXBEGFR-UHFFFAOYSA-N 0 0 431.970 5.016 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021917626 527507044 /nfs/dbraw/zinc/50/70/44/527507044.db2.gz PARFCMFABNSDAQ-DEOSSOPVSA-N 0 0 449.595 6.114 50 0 IKAARN O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1cccc(Br)c1 ZINC000012287169 527508567 /nfs/dbraw/zinc/50/85/67/527508567.db2.gz SKSVSFLESDEJOB-UHFFFAOYSA-N 0 0 437.359 5.730 50 0 IKAARN O=C(NC1CCCCC1)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000012249862 527512143 /nfs/dbraw/zinc/51/21/43/527512143.db2.gz PMXCPHBHZSAPHM-OAQYLSRUSA-N 0 0 445.563 5.293 50 0 IKAARN O=C1NC(=S)SC1=Cc1cc(Cl)ccc1OCCOCCOc1ccccc1 ZINC000020530004 527514889 /nfs/dbraw/zinc/51/48/89/527514889.db2.gz WIJBWPRJKXYKCZ-AQTBWJFISA-N 0 0 435.954 5.144 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020534050 527516493 /nfs/dbraw/zinc/51/64/93/527516493.db2.gz DMNNDUJFZPPTTI-UHFFFAOYSA-N 0 0 431.561 5.704 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)N1CCCc2ccccc21 ZINC000033275321 527518127 /nfs/dbraw/zinc/51/81/27/527518127.db2.gz QNBYFYLDKOANGB-UHFFFAOYSA-N 0 0 439.519 5.010 50 0 IKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1SC[C@@H]1CCCO1 ZINC000021637269 527518995 /nfs/dbraw/zinc/51/89/95/527518995.db2.gz NHTLIIYVTKQJMS-KRWDZBQOSA-N 0 0 445.009 5.911 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1cccc(Oc2ccccn2)c1 ZINC000012527269 527522741 /nfs/dbraw/zinc/52/27/41/527522741.db2.gz PIJMOGPUFBTHNY-UHFFFAOYSA-N 0 0 428.492 5.002 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000020605336 527529624 /nfs/dbraw/zinc/52/96/24/527529624.db2.gz APVFWQUYXQTEKS-UHFFFAOYSA-N 0 0 432.243 6.235 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035970596 527534321 /nfs/dbraw/zinc/53/43/21/527534321.db2.gz KLFHFVYGWGCYTI-UHFFFAOYSA-N 0 0 435.955 5.775 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C(=O)C(C)C ZINC000035970450 527534512 /nfs/dbraw/zinc/53/45/12/527534512.db2.gz RNKUWDOIDKCQTC-UHFFFAOYSA-N 0 0 439.987 6.267 50 0 IKAARN O=C(Nc1nnc(CSCc2ccc(Cl)cc2Cl)s1)Nc1ccccc1F ZINC000017044239 527534834 /nfs/dbraw/zinc/53/48/34/527534834.db2.gz XENDJDVKBUDAQW-UHFFFAOYSA-N 0 0 443.356 6.061 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 ZINC000020579058 527535877 /nfs/dbraw/zinc/53/58/77/527535877.db2.gz LWUIYCWRTOSGAN-UHFFFAOYSA-N 0 0 432.955 6.375 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Br)cc2F)s1)C1CCCCC1 ZINC000035924495 527536111 /nfs/dbraw/zinc/53/61/11/527536111.db2.gz RSCOBAOMIAZZLQ-UHFFFAOYSA-N 0 0 430.368 5.251 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccc(F)cc3F)c12 ZINC000020578994 527536134 /nfs/dbraw/zinc/53/61/34/527536134.db2.gz QDETYIGJKYOPRT-UHFFFAOYSA-N 0 0 426.854 5.530 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCCc3ccccc3)c12 ZINC000020579027 527536240 /nfs/dbraw/zinc/53/62/40/527536240.db2.gz PNUOMIYIMWJLKY-UHFFFAOYSA-N 0 0 432.955 5.362 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)C2CCC2)C2CC2)c1Oc1ccccc1Cl ZINC000035980361 527536390 /nfs/dbraw/zinc/53/63/90/527536390.db2.gz SNRPLNFPGFDEHH-UHFFFAOYSA-N 0 0 435.955 5.824 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1sc2cc(F)ccc2c1Cl ZINC000020836401 527536676 /nfs/dbraw/zinc/53/66/76/527536676.db2.gz PJTSGSBLOZULEE-UHFFFAOYSA-N 0 0 435.958 6.090 50 0 IKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccccc1C(F)(F)F ZINC000021100810 527536817 /nfs/dbraw/zinc/53/68/17/527536817.db2.gz CQTGFUFELFIWHZ-UHFFFAOYSA-N 0 0 439.441 5.312 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)c2ccco2)C2CC2)c1Oc1ccc(Cl)cc1 ZINC000035980419 527537192 /nfs/dbraw/zinc/53/71/92/527537192.db2.gz DUCYUZRUFNSKRZ-UHFFFAOYSA-N 0 0 447.922 5.931 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(CC2CC2)C(=O)C2CCC2)c1Oc1ccccc1Cl ZINC000035980398 527537364 /nfs/dbraw/zinc/53/73/64/527537364.db2.gz PCBOARSJDZIQRH-UHFFFAOYSA-N 0 0 449.982 6.072 50 0 IKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)c2ccccc2)C2CC2)c1Oc1ccc(F)cc1 ZINC000035977393 527537465 /nfs/dbraw/zinc/53/74/65/527537465.db2.gz GFSJBHDLVLVWQN-UHFFFAOYSA-N 0 0 441.506 5.823 50 0 IKAARN O=C(Nc1nonc1-c1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccccc1F ZINC000013361812 527539715 /nfs/dbraw/zinc/53/97/15/527539715.db2.gz DHKFGQWMSRVKFG-UHFFFAOYSA-N 0 0 447.857 5.179 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccccn1)CCCC2)c1ccccc1 ZINC000035476867 527541280 /nfs/dbraw/zinc/54/12/80/527541280.db2.gz ZRQJTCKEHSCTLK-DEOSSOPVSA-N 0 0 440.572 5.871 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1cccnc1)CCCC2)c1ccccc1 ZINC000035476871 527541295 /nfs/dbraw/zinc/54/12/95/527541295.db2.gz PBOUHKQQPPWYAQ-DEOSSOPVSA-N 0 0 440.572 5.871 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccsc1)CCCC2)c1ccccc1 ZINC000035476878 527541906 /nfs/dbraw/zinc/54/19/06/527541906.db2.gz QLFPZOHRGRUPPF-HSZRJFAPSA-N 0 0 445.613 6.537 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000040063185 527544532 /nfs/dbraw/zinc/54/45/32/527544532.db2.gz SPTGZUPRBPYPCG-HNNXBMFYSA-N 0 0 431.367 5.427 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1n[nH]c(C=Cc2ccc(F)cc2)n1 ZINC000012910505 527547541 /nfs/dbraw/zinc/54/75/41/527547541.db2.gz NGQUCMBPLSUNAC-FMIVXFBMSA-N 0 0 425.920 5.554 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)c1ccco1)C(C)C ZINC000035976995 527548319 /nfs/dbraw/zinc/54/83/19/527548319.db2.gz KNWRJWPTRWZCJS-UHFFFAOYSA-N 0 0 429.520 5.925 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035980319 527549417 /nfs/dbraw/zinc/54/94/17/527549417.db2.gz ZUFYRQPUUDRNDQ-UHFFFAOYSA-N 0 0 438.959 5.709 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)NC(C)(C)C)C1CC1 ZINC000035978569 527549434 /nfs/dbraw/zinc/54/94/34/527549434.db2.gz ZJAVPNTVXYUXGZ-UHFFFAOYSA-N 0 0 432.568 5.754 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035976376 527549587 /nfs/dbraw/zinc/54/95/87/527549587.db2.gz RPEDOTXUDDVMBK-UHFFFAOYSA-N 0 0 437.490 5.400 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H]1CCCO1)C(=O)C1CC1 ZINC000035977103 527550069 /nfs/dbraw/zinc/55/00/69/527550069.db2.gz NFDSDQFOOCHPLP-XMMPIXPASA-N 0 0 445.563 5.199 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CC[C@@H](c4ccccc4)C3)cc1CC2 ZINC000033049019 527550662 /nfs/dbraw/zinc/55/06/62/527550662.db2.gz SPIFQZMGGOFXAR-OAQYLSRUSA-N 0 0 439.584 5.638 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H]1CCCO1)C(=O)C(C)C ZINC000035977062 527550889 /nfs/dbraw/zinc/55/08/89/527550889.db2.gz WAHNMYNJLCFIJD-XMMPIXPASA-N 0 0 447.579 5.445 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1cccs1)C1CC1 ZINC000035970739 527551025 /nfs/dbraw/zinc/55/10/25/527551025.db2.gz OJNKGHVNLDFVSI-UHFFFAOYSA-N 0 0 429.545 5.839 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(Cc1ccco1)C(=O)C(C)C ZINC000035976972 527551039 /nfs/dbraw/zinc/55/10/39/527551039.db2.gz QMYDHEYBWROZLQ-UHFFFAOYSA-N 0 0 443.547 6.059 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)c1ccccc1 ZINC000035970873 527551051 /nfs/dbraw/zinc/55/10/51/527551051.db2.gz PYWXJWRKPMTXHS-UHFFFAOYSA-N 0 0 437.543 6.025 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCc3ccccc3Cl)cc1CC2 ZINC000021043345 527551763 /nfs/dbraw/zinc/55/17/63/527551763.db2.gz BJQPMMQNKHTCIR-UHFFFAOYSA-N 0 0 433.964 5.591 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)c12 ZINC000020943276 527555464 /nfs/dbraw/zinc/55/54/64/527555464.db2.gz NRYZYGGRKHHPOY-UHFFFAOYSA-N 0 0 439.563 5.526 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)C[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000012628917 527562210 /nfs/dbraw/zinc/56/22/10/527562210.db2.gz HEDRGVJCZWTCTD-UONOGXRCSA-N 0 0 429.138 5.620 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)NCc3ccccc3)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893605 527569533 /nfs/dbraw/zinc/56/95/33/527569533.db2.gz AOGRJGPGUVRMIC-UHFFFAOYSA-N 0 0 430.577 5.083 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)cc3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033019462 527570790 /nfs/dbraw/zinc/57/07/90/527570790.db2.gz UTRULJJTWARRFG-UHFFFAOYSA-N 0 0 434.540 5.165 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000021661071 527571430 /nfs/dbraw/zinc/57/14/30/527571430.db2.gz WGHFYXNPHGRHRO-OAHLLOKOSA-N 0 0 442.466 5.592 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000020891353 527571630 /nfs/dbraw/zinc/57/16/30/527571630.db2.gz BYIPRZMWDRPZCW-GOSISDBHSA-N 0 0 426.954 5.219 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cc(Br)cs1)CC(=O)N2 ZINC000021661077 527571656 /nfs/dbraw/zinc/57/16/56/527571656.db2.gz YKNZTYAGUGWECP-LLVKDONJSA-N 0 0 445.367 5.089 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000021726187 527571768 /nfs/dbraw/zinc/57/17/68/527571768.db2.gz OYKHDTVTONBWEP-LJQANCHMSA-N 0 0 444.560 5.586 50 0 IKAARN Cc1nn(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(C)c1Sc1ccc(Cl)cc1 ZINC000016976037 527573668 /nfs/dbraw/zinc/57/36/68/527573668.db2.gz LAHXNWPXOFSVHL-UHFFFAOYSA-N 0 0 432.801 5.689 50 0 IKAARN OCCn1c(CN2CCCC[C@@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc21 ZINC000012559632 527576248 /nfs/dbraw/zinc/57/62/48/527576248.db2.gz CWHDDMBDIYCBQE-GOSISDBHSA-N 0 0 426.973 5.019 50 0 IKAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012599074 527601590 /nfs/dbraw/zinc/60/15/90/527601590.db2.gz FURCLTXABAPGHW-GFOMBABLSA-N 0 0 440.952 5.488 50 0 IKAARN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000020807940 527605005 /nfs/dbraw/zinc/60/50/05/527605005.db2.gz MZMRSWBMNRJEKO-SDNWHVSQSA-N 0 0 440.886 7.060 50 0 IKAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012738052 527605716 /nfs/dbraw/zinc/60/57/16/527605716.db2.gz YATJBQITHAWXTM-SOFGYWHQSA-N 0 0 433.861 5.655 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035736 527625837 /nfs/dbraw/zinc/62/58/37/527625837.db2.gz YZZIJHIRDYBJLF-DEOSSOPVSA-N 0 0 431.580 5.718 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735134 527625906 /nfs/dbraw/zinc/62/59/06/527625906.db2.gz WAGRCTJXEFPRLW-PXLXIMEGSA-N 0 0 438.980 6.046 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000035181092 527625963 /nfs/dbraw/zinc/62/59/63/527625963.db2.gz WCCBXHGSUYDCLP-UHFFFAOYSA-N 0 0 435.543 5.278 50 0 IKAARN O=C(NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 ZINC000017099443 527631853 /nfs/dbraw/zinc/63/18/53/527631853.db2.gz LGLFEGRPMNBHML-UHFFFAOYSA-N 0 0 435.355 5.449 50 0 IKAARN O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C(=S)N1CCCCC1 ZINC000034967038 527633475 /nfs/dbraw/zinc/63/34/75/527633475.db2.gz NQPDEQJFKDQCEC-FMIVXFBMSA-N 0 0 430.367 5.229 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035671797 527633917 /nfs/dbraw/zinc/63/39/17/527633917.db2.gz OROOFTDESCMGJP-WUKNDPDISA-N 0 0 425.513 5.714 50 0 IKAARN O=C(/C=C/c1cccnc1)N(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1 ZINC000012521651 527636908 /nfs/dbraw/zinc/63/69/08/527636908.db2.gz MSROFARDGBEZGA-KPKJPENVSA-N 0 0 439.512 6.384 50 0 IKAARN O=C(NCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000017098178 527640456 /nfs/dbraw/zinc/64/04/56/527640456.db2.gz XKNUGCDRQZPWHO-VEYUFSJPSA-N 0 0 432.608 5.167 50 0 IKAARN O=C(/C=C/c1cccs1)NCCCCCCCCCNC(=O)/C=C/c1cccs1 ZINC000017097190 527641764 /nfs/dbraw/zinc/64/17/64/527641764.db2.gz FIVVMKNBRSVHGQ-QUMQEAAQSA-N 0 0 430.639 5.499 50 0 IKAARN O=C(C=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N=c1[nH]c2ccccc2[nH]1 ZINC000012311669 527645460 /nfs/dbraw/zinc/64/54/60/527645460.db2.gz DHGYVOBKLRLRDM-CCEZHUSRSA-N 0 0 445.482 5.236 50 0 IKAARN O=C(/C=C\c1ccc(OC(F)F)cc1)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000033561286 527655245 /nfs/dbraw/zinc/65/52/45/527655245.db2.gz VEWRKHRFVPQJNO-BAQGIRSFSA-N 0 0 449.759 5.155 50 0 IKAARN O=C(/C=C\c1ccc(SC(F)F)cc1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000035333856 527655973 /nfs/dbraw/zinc/65/59/73/527655973.db2.gz VEVQDBLECNHHDE-RAXLEYEMSA-N 0 0 432.451 5.916 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000020739029 527656934 /nfs/dbraw/zinc/65/69/34/527656934.db2.gz PSHCZBPSPAHRNI-ZUOKHONESA-N 0 0 425.941 5.436 50 0 IKAARN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012389044 527657087 /nfs/dbraw/zinc/65/70/87/527657087.db2.gz BBSBFKWWJHBYNY-OAQYLSRUSA-N 0 0 427.342 5.011 50 0 IKAARN O=C(/C=C\c1cccs1)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 ZINC000033524017 527658637 /nfs/dbraw/zinc/65/86/37/527658637.db2.gz PRMSDNIRIGOBGY-KTKRTIGZSA-N 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FC(F)Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012285201 527696447 /nfs/dbraw/zinc/69/64/47/527696447.db2.gz XHTIYMJMMBWIKS-RBBKRZOGSA-N 0 0 426.850 6.184 50 0 IKAARN FC(F)Oc1cccc(-c2csc(CSCc3cccc(C(F)(F)F)c3)n2)c1 ZINC000012369470 527696512 /nfs/dbraw/zinc/69/65/12/527696512.db2.gz SSZNSAGQOUGLJJ-UHFFFAOYSA-N 0 0 431.451 6.864 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc(Br)c1 ZINC000002059429 534935325 /nfs/dbraw/zinc/93/53/25/534935325.db2.gz BNUNITCPUQZIJN-RUZDIDTESA-N 0 0 434.377 6.584 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1-c1ccccc1 ZINC000003012000 534935503 /nfs/dbraw/zinc/93/55/03/534935503.db2.gz MUMUKNVICSPMNJ-WJOKGBTCSA-N 0 0 431.579 7.489 50 0 IKAARN CCCCc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708861 535093484 /nfs/dbraw/zinc/09/34/84/535093484.db2.gz PHDQDDVIFPNHDJ-UHFFFAOYSA-N 0 0 432.572 5.155 50 0 IKAARN CCCCc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 ZINC000009708843 535094025 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COc1ccc2c(c1)c(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)c(C)n2C1CC1 ZINC000009220782 537015337 /nfs/dbraw/zinc/01/53/37/537015337.db2.gz SYFYMBGJIJQMKF-UHFFFAOYSA-N 0 0 439.943 5.036 50 0 IKAARN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(C)cc2)CCC(=O)N1c1ccc(C)cc1 ZINC000013057396 537105665 /nfs/dbraw/zinc/10/56/65/537105665.db2.gz FKFQBDKFTAQOCO-JYFHCDHNSA-N 0 0 428.532 5.435 50 0 IKAARN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC000013039251 537105719 /nfs/dbraw/zinc/10/57/19/537105719.db2.gz AVPSPJJCBUHCHH-RPLLCQBOSA-N 0 0 442.559 5.743 50 0 IKAARN CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000253609482 574421686 /nfs/dbraw/zinc/42/16/86/574421686.db2.gz VGSSUFQMXBFFTM-UEBAZAQJSA-N 0 0 448.732 6.190 50 0 endogenous,in-man IKAARN COc1cccc2cc(C(=O)N(C[C@@H]3CCCO3)c3nc4c(cc(F)cc4F)s3)oc21 ZINC000009133764 555509994 /nfs/dbraw/zinc/50/99/94/555509994.db2.gz HABVDJHACGUWSL-AWEZNQCLSA-N 0 0 444.459 5.155 50 0 IKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(CC)cccc3CC)sc2c1 ZINC000000624671 555511986 /nfs/dbraw/zinc/51/19/86/555511986.db2.gz WYNPEOQJNWMFCJ-UHFFFAOYSA-N 0 0 441.622 5.891 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)cc1 ZINC000000624756 555512049 /nfs/dbraw/zinc/51/20/49/555512049.db2.gz PNGZHWIJXJLVRQ-UHFFFAOYSA-N 0 0 434.542 5.532 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1OC ZINC000000625558 555512381 /nfs/dbraw/zinc/51/23/81/555512381.db2.gz JCTFNEJJXIWMGU-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 ZINC000000625346 555512383 /nfs/dbraw/zinc/51/23/83/555512383.db2.gz HWGBNAGDBJGRDH-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN CCOc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000626748 555512938 /nfs/dbraw/zinc/51/29/38/555512938.db2.gz YGGKXHYPTPXJHU-GOSISDBHSA-N 0 0 429.347 5.973 50 0 IKAARN COc1cc(CCNC(=S)Nc2c(Cl)cncc2Cl)ccc1OC1CCCC1 ZINC000000629054 555514075 /nfs/dbraw/zinc/51/40/75/555514075.db2.gz HQEOUNIFEXTGIL-UHFFFAOYSA-N 0 0 440.396 5.248 50 0 IKAARN O=C(c1ccccc1)[C@H](Cn1cncn1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 ZINC000000630043 555514337 /nfs/dbraw/zinc/51/43/37/555514337.db2.gz PLEIRHUGPRYAFK-LADGPHEKSA-N 0 0 433.964 5.964 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc(OCC)c1OCC ZINC000000629977 555514347 /nfs/dbraw/zinc/51/43/47/555514347.db2.gz RFUXJAHFYHEKGQ-UHFFFAOYSA-N 0 0 426.538 5.567 50 0 IKAARN Cc1cc(C(=O)CSc2nc(C)nc3sc4c(c32)CCC4)c(C)n1Cc1ccco1 ZINC000000632134 555515215 /nfs/dbraw/zinc/51/52/15/555515215.db2.gz ZOHJRSPGAVLCOY-UHFFFAOYSA-N 0 0 437.590 5.523 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000000632216 555515261 /nfs/dbraw/zinc/51/52/61/555515261.db2.gz TYVUEUZZWYGLLQ-VXKWHMMOSA-N 0 0 430.558 5.274 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c1CCCC2 ZINC000000633156 555515754 /nfs/dbraw/zinc/51/57/54/555515754.db2.gz AACCRUMQWCOMDZ-UHFFFAOYSA-N 0 0 428.337 5.371 50 0 IKAARN COc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2cc(C)ccc2C)cc1 ZINC000000633661 555515782 /nfs/dbraw/zinc/51/57/82/555515782.db2.gz JOLDRZPMGLPBGB-SGEDCAFJSA-N 0 0 428.488 5.552 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccccc1OC ZINC000000634950 555516656 /nfs/dbraw/zinc/51/66/56/555516656.db2.gz WIFPORRBZCUHDH-UHFFFAOYSA-N 0 0 445.924 5.271 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)OCc1nc2ccccc2n1CCC(=O)c1ccccc1 ZINC000000638445 555517486 /nfs/dbraw/zinc/51/74/86/555517486.db2.gz JOZXSNZPPFIJKD-UHFFFAOYSA-N 0 0 432.907 5.249 50 0 IKAARN Cc1ccc(-c2nn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=S)n2C)cc1 ZINC000000639427 555517866 /nfs/dbraw/zinc/51/78/66/555517866.db2.gz KSFZWHRYQMJGHB-UHFFFAOYSA-N 0 0 440.878 5.237 50 0 IKAARN C[C@@H]1CCCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCC[C@H](C)C4)cc3)cc2)C1 ZINC000000640641 555518039 /nfs/dbraw/zinc/51/80/39/555518039.db2.gz MIACRZOCWZWERW-OYRHEFFESA-N 0 0 448.611 5.805 50 0 IKAARN COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000641498 555518633 /nfs/dbraw/zinc/51/86/33/555518633.db2.gz WGSFPLUFRPUBCH-QHCPKHFHSA-N 0 0 428.937 5.445 50 0 IKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000000643979 555519544 /nfs/dbraw/zinc/51/95/44/555519544.db2.gz FBBXKAZTMCGTIE-INIZCTEOSA-N 0 0 436.577 6.305 50 0 IKAARN Cc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000000643969 555519607 /nfs/dbraw/zinc/51/96/07/555519607.db2.gz ZHTQKADUSFSFFB-MRXNPFEDSA-N 0 0 436.577 6.305 50 0 IKAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)C[C@H](C(C)(C)C)CC3)c1 ZINC000000644017 555519726 /nfs/dbraw/zinc/51/97/26/555519726.db2.gz XMNDNTBEKZJTFJ-GOSISDBHSA-N 0 0 447.604 6.107 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCC3)c(OC)c1 ZINC000000644075 555519803 /nfs/dbraw/zinc/51/98/03/555519803.db2.gz VQKCQFFZJFHNOY-UHFFFAOYSA-N 0 0 442.562 5.210 50 0 IKAARN COc1ccc([C@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)c(OC)c1 ZINC000000646196 555520776 /nfs/dbraw/zinc/52/07/76/555520776.db2.gz MXUZGBDQSKGCIW-RUZDIDTESA-N 0 0 432.545 6.020 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000000646578 555520986 /nfs/dbraw/zinc/52/09/86/555520986.db2.gz MTHUTEYYKBPBQC-LLVKDONJSA-N 0 0 439.409 5.560 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000000646598 555521093 /nfs/dbraw/zinc/52/10/93/555521093.db2.gz LAAIKKIOOPYFLS-UHFFFAOYSA-N 0 0 435.446 5.595 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccccc2Cl)cc1 ZINC000000647774 555521643 /nfs/dbraw/zinc/52/16/43/555521643.db2.gz SZWJBJQMCMAVHA-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000000648747 555521886 /nfs/dbraw/zinc/52/18/86/555521886.db2.gz XAQHTJXOFAKMNZ-UHFFFAOYSA-N 0 0 444.560 5.194 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(C)cc2C)n1CC ZINC000000649317 555522117 /nfs/dbraw/zinc/52/21/17/555522117.db2.gz QEMHGODWFAXZNV-UHFFFAOYSA-N 0 0 437.613 5.129 50 0 IKAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000000649327 555522133 /nfs/dbraw/zinc/52/21/33/555522133.db2.gz HEALQQKFTTZJLS-UHFFFAOYSA-N 0 0 437.613 5.183 50 0 IKAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000649511 555522445 /nfs/dbraw/zinc/52/24/45/555522445.db2.gz BLUGRTUNHNMFLZ-UHFFFAOYSA-N 0 0 444.004 5.220 50 0 IKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000000650517 555522693 /nfs/dbraw/zinc/52/26/93/555522693.db2.gz OBQQOVKQNMCOOK-UHFFFAOYSA-N 0 0 444.988 5.186 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc32)c(OC)c1 ZINC000000651848 555523172 /nfs/dbraw/zinc/52/31/72/555523172.db2.gz PZKBFKJFIXVIRS-UHFFFAOYSA-N 0 0 442.515 5.959 50 0 IKAARN NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(Oc2ccccc2)cc1 ZINC000000651783 555523277 /nfs/dbraw/zinc/52/32/77/555523277.db2.gz OSJGJLCKVAPQIU-LVWGJNHUSA-N 0 0 435.277 5.319 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)n2)c1 ZINC000000653044 555523774 /nfs/dbraw/zinc/52/37/74/555523774.db2.gz LMLFTXSMZIAGPC-RCCKNPSSSA-N 0 0 442.540 6.007 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccccc1Cl ZINC000000653265 555523796 /nfs/dbraw/zinc/52/37/96/555523796.db2.gz VDFYYVKLJQXMLM-UHFFFAOYSA-N 0 0 442.924 5.391 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc21 ZINC000000657323 555525407 /nfs/dbraw/zinc/52/54/07/555525407.db2.gz LVLOZZDTZUSSKP-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000000659124 555526066 /nfs/dbraw/zinc/52/60/66/555526066.db2.gz FWMKIRNRWPKOLD-UHFFFAOYSA-N 0 0 430.287 5.611 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CC[C@H](C)C3)cc1 ZINC000000659386 555526348 /nfs/dbraw/zinc/52/63/48/555526348.db2.gz YSTDKZFGIRGMCT-INIZCTEOSA-N 0 0 434.561 5.776 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3n2)c1 ZINC000000661284 555526758 /nfs/dbraw/zinc/52/67/58/555526758.db2.gz DCPYREBBOXWJAJ-UHFFFAOYSA-N 0 0 443.450 5.825 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4Cl)sc3n2)c1 ZINC000000661191 555526764 /nfs/dbraw/zinc/52/67/64/555526764.db2.gz YUORNWWBBIDWOX-UHFFFAOYSA-N 0 0 444.343 6.113 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000000661141 555526782 /nfs/dbraw/zinc/52/67/82/555526782.db2.gz HHMAWXUGYHGYRC-UHFFFAOYSA-N 0 0 439.338 5.264 50 0 IKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000661638 555527027 /nfs/dbraw/zinc/52/70/27/555527027.db2.gz MACGEBRDQCGXDH-UHFFFAOYSA-N 0 0 431.414 5.956 50 0 IKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)Nc1cccc2ccccc21 ZINC000000662657 555527387 /nfs/dbraw/zinc/52/73/87/555527387.db2.gz PTFHSTQSFKEYOW-UHFFFAOYSA-N 0 0 439.346 6.652 50 0 IKAARN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C ZINC000000663643 555527417 /nfs/dbraw/zinc/52/74/17/555527417.db2.gz UPSAGJOQQQFLQU-RQZCQDPDSA-N 0 0 435.307 5.277 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1Br ZINC000000665276 555527998 /nfs/dbraw/zinc/52/79/98/555527998.db2.gz RUKZDRXVGDXNAE-UHFFFAOYSA-N 0 0 441.256 5.657 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCC(C)C)c3ccccc32)NC(=S)N1 ZINC000000666669 555528598 /nfs/dbraw/zinc/52/85/98/555528598.db2.gz GARRIDINMJZYFM-DEOSSOPVSA-N 0 0 445.588 5.306 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1Br ZINC000000666632 555528604 /nfs/dbraw/zinc/52/86/04/555528604.db2.gz YKDPXECHGDEUGS-KPKJPENVSA-N 0 0 449.304 5.918 50 0 IKAARN COc1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)o2)cc1Cl ZINC000000666282 555528612 /nfs/dbraw/zinc/52/86/12/555528612.db2.gz SSHNNPUQNJASDE-NSHDSACASA-N 0 0 426.925 5.698 50 0 IKAARN CC[C@H](C)OC(=O)c1c2c(sc1NC(=O)c1ccc(Br)o1)CCCC2 ZINC000000667156 555528987 /nfs/dbraw/zinc/52/89/87/555528987.db2.gz HHKKRCQXAZPTDG-JTQLQIEISA-N 0 0 426.332 5.190 50 0 IKAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(C)cc2)c(C(=O)OC(C)C)c1C ZINC000000668259 555529566 /nfs/dbraw/zinc/52/95/66/555529566.db2.gz DOGOVHUBJQKQTG-BUHFOSPRSA-N 0 0 442.581 5.064 50 0 IKAARN CC1(C)C[C@H](NC(=O)CCc2ccccc2)C[C@](C)(CNC(=O)CCc2ccccc2)C1 ZINC000000668767 555529915 /nfs/dbraw/zinc/52/99/15/555529915.db2.gz HMRSMELJZQSKEX-CUBQBAPOSA-N 0 0 434.624 5.069 50 0 IKAARN Cc1c(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000668996 555530125 /nfs/dbraw/zinc/53/01/25/555530125.db2.gz XAAZFCVGJWESFT-UHFFFAOYSA-N 0 0 448.526 5.260 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)c2C(N)=O)C1 ZINC000000670845 555530991 /nfs/dbraw/zinc/53/09/91/555530991.db2.gz FFLVLJASOKJUSP-AWEZNQCLSA-N 0 0 445.544 5.422 50 0 IKAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000000671256 555531324 /nfs/dbraw/zinc/53/13/24/555531324.db2.gz KBMYJAIGJCQYMX-UHFFFAOYSA-N 0 0 425.109 5.927 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)nc1C ZINC000000671566 555531682 /nfs/dbraw/zinc/53/16/82/555531682.db2.gz QLYDZWJPNVFTKS-UHFFFAOYSA-N 0 0 445.544 5.713 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000000672649 555531902 /nfs/dbraw/zinc/53/19/02/555531902.db2.gz VMOLRAGMEYRMOS-UHFFFAOYSA-N 0 0 449.359 5.663 50 0 IKAARN COc1cc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)cc(OC)c1OC ZINC000000673177 555532109 /nfs/dbraw/zinc/53/21/09/555532109.db2.gz XHNGPSZVDRKZPW-UHFFFAOYSA-N 0 0 443.499 5.697 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000000673338 555532161 /nfs/dbraw/zinc/53/21/61/555532161.db2.gz DGSQZDXSQXXMBL-UHFFFAOYSA-N 0 0 445.302 5.028 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000673989 555532785 /nfs/dbraw/zinc/53/27/85/555532785.db2.gz AAQBEMQPWKWIDS-WFASDCNBSA-N 0 0 426.851 5.511 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000674327 555533094 /nfs/dbraw/zinc/53/30/94/555533094.db2.gz WXAOCTBZBNFPPE-LRDDRELGSA-N 0 0 440.809 5.051 50 0 IKAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000000674238 555533151 /nfs/dbraw/zinc/53/31/51/555533151.db2.gz APYZZEJDMWLEQP-UHFFFAOYSA-N 0 0 445.928 5.184 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000674646 555533444 /nfs/dbraw/zinc/53/34/44/555533444.db2.gz IEYCDARLMVPTPC-DOMZBBRYSA-N 0 0 444.841 5.650 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1C(N)=O ZINC000000674754 555533689 /nfs/dbraw/zinc/53/36/89/555533689.db2.gz KGABYABIJAFPRZ-UHFFFAOYSA-N 0 0 436.577 5.061 50 0 IKAARN O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000674978 555534056 /nfs/dbraw/zinc/53/40/56/555534056.db2.gz BUTQXSFMIXYRCH-KOLCDFICSA-N 0 0 446.216 5.091 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1C ZINC000000677075 555535492 /nfs/dbraw/zinc/53/54/92/555535492.db2.gz PHDIYRBITPKVJV-UHFFFAOYSA-N 0 0 429.929 5.402 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000677207 555535544 /nfs/dbraw/zinc/53/55/44/555535544.db2.gz HWEIBQNKLLVIHJ-AWEZNQCLSA-N 0 0 436.865 5.473 50 0 IKAARN COc1cc(NC(=O)c2cccc3ccccc32)ccc1NC(=O)c1cc2ccccc2o1 ZINC000000677993 555535761 /nfs/dbraw/zinc/53/57/61/555535761.db2.gz IUIXFMNAHXJUQD-UHFFFAOYSA-N 0 0 436.467 6.099 50 0 IKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 ZINC000000678721 555536354 /nfs/dbraw/zinc/53/63/54/555536354.db2.gz KAGRBYYNSCDRCS-UHFFFAOYSA-N 0 0 448.526 5.814 50 0 IKAARN Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2s1 ZINC000000679781 555537098 /nfs/dbraw/zinc/53/70/98/555537098.db2.gz MCVXWJVUIFUNIG-UHFFFAOYSA-N 0 0 445.935 5.758 50 0 IKAARN CCOc1ccc2ccccc2c1C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000000679916 555537104 /nfs/dbraw/zinc/53/71/04/555537104.db2.gz BKVHHZUOOPFLRA-UHFFFAOYSA-N 0 0 427.323 5.863 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCc3ccc(C)cc3)n2C)cc1 ZINC000000680509 555537480 /nfs/dbraw/zinc/53/74/80/555537480.db2.gz VZHVOSMGUBPGPE-UHFFFAOYSA-N 0 0 444.560 5.344 50 0 IKAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1C ZINC000000682525 555538016 /nfs/dbraw/zinc/53/80/16/555538016.db2.gz VCSSSCRVNILVPP-GFCCVEGCSA-N 0 0 427.136 5.234 50 0 IKAARN COc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2OC)c(C(C)(C)C)c1 ZINC000000682511 555538035 /nfs/dbraw/zinc/53/80/35/555538035.db2.gz LZAQXNUPPBQZHT-UHFFFAOYSA-N 0 0 434.488 5.440 50 0 IKAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 ZINC000000683020 555538464 /nfs/dbraw/zinc/53/84/64/555538464.db2.gz LHNVROSKACPLPQ-PMACEKPBSA-N 0 0 432.520 5.115 50 0 IKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000000683008 555538470 /nfs/dbraw/zinc/53/84/70/555538470.db2.gz ZTXDZHKTBXLEGY-PMACEKPBSA-N 0 0 432.520 5.115 50 0 IKAARN COc1ccccc1C(=O)Oc1ccc2ccc(OC(=O)c3ccccc3OC)cc2c1 ZINC000000683118 555538489 /nfs/dbraw/zinc/53/84/89/555538489.db2.gz VNTBMZIWRAYBIS-UHFFFAOYSA-N 0 0 428.440 5.295 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000000682934 555538499 /nfs/dbraw/zinc/53/84/99/555538499.db2.gz GLUJEDCAZQVVOG-LBPRGKRZSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C ZINC000000683016 555538533 /nfs/dbraw/zinc/53/85/33/555538533.db2.gz NJFUIAOBBSJDIZ-PMACEKPBSA-N 0 0 432.520 5.115 50 0 IKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C ZINC000000683015 555538555 /nfs/dbraw/zinc/53/85/55/555538555.db2.gz NJFUIAOBBSJDIZ-WOJBJXKFSA-N 0 0 432.520 5.115 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 ZINC000000683280 555538739 /nfs/dbraw/zinc/53/87/39/555538739.db2.gz UTBPKBVVVOHFBH-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1Cl)N(C(C)=O)c1ccccc1-2 ZINC000000683687 555539038 /nfs/dbraw/zinc/53/90/38/555539038.db2.gz VMCJUDUFBAVSRC-LJQANCHMSA-N 0 0 447.347 5.402 50 0 IKAARN COc1cccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1OCc1ccccc1 ZINC000000684469 555539241 /nfs/dbraw/zinc/53/92/41/555539241.db2.gz LSZOHTVJOMIOOO-UNOMPAQXSA-N 0 0 436.305 5.529 50 0 IKAARN COc1ccccc1-c1nc2n[nH]c(Cc3ccccc3)c2c2cc(OC)c(OC)cc21 ZINC000000690006 555541662 /nfs/dbraw/zinc/54/16/62/555541662.db2.gz HQBXEEPSKQSSKK-UHFFFAOYSA-N 0 0 425.488 5.395 50 0 IKAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N(c3ccccc3)c3ccccc3)sc2n1 ZINC000000689508 555541676 /nfs/dbraw/zinc/54/16/76/555541676.db2.gz DSRPIKJGHBXKGO-UHFFFAOYSA-N 0 0 427.451 6.184 50 0 IKAARN CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000000692117 555542007 /nfs/dbraw/zinc/54/20/07/555542007.db2.gz TUWJPHRTRXIMCL-UHFFFAOYSA-N 0 0 445.441 5.444 50 0 IKAARN O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000693021 555542308 /nfs/dbraw/zinc/54/23/08/555542308.db2.gz MTDHFSGGCRYJSY-UHFFFAOYSA-N 0 0 434.293 5.347 50 0 IKAARN Cc1sc(NC(=O)c2sc3ccccc3c2Cl)c(C(N)=O)c1-c1ccccc1 ZINC000000695977 555542602 /nfs/dbraw/zinc/54/26/02/555542602.db2.gz IAKAUPPOHJFZAG-UHFFFAOYSA-N 0 0 426.950 5.943 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(N)=O)C1 ZINC000000694529 555542660 /nfs/dbraw/zinc/54/26/60/555542660.db2.gz DXZBIWDYINQJBO-AWEZNQCLSA-N 0 0 432.545 5.238 50 0 IKAARN CC1(C)[C@H](C(=O)Nc2nnc(SCc3ccccc3F)s2)[C@H]1C=C(Cl)Cl ZINC000000702347 555542806 /nfs/dbraw/zinc/54/28/06/555542806.db2.gz KEQRVKWVVMFUJU-MFKMUULPSA-N 0 0 432.373 5.499 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000000702345 555542825 /nfs/dbraw/zinc/54/28/25/555542825.db2.gz KEQRVKWVVMFUJU-GWCFXTLKSA-N 0 0 432.373 5.499 50 0 IKAARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 ZINC000000706487 555545064 /nfs/dbraw/zinc/54/50/64/555545064.db2.gz DMESKGSHSCTCQG-DEOSSOPVSA-N 0 0 434.536 5.160 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1cccc2ccccc21 ZINC000000707256 555545377 /nfs/dbraw/zinc/54/53/77/555545377.db2.gz AVFIXCLWHGQPEN-FQEVSTJZSA-N 0 0 427.533 5.179 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)NCc2ccco2)C1 ZINC000000708355 555545779 /nfs/dbraw/zinc/54/57/79/555545779.db2.gz LZCQTNGEQZKHIJ-ZDUSSCGKSA-N 0 0 428.941 5.302 50 0 IKAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000708542 555545840 /nfs/dbraw/zinc/54/58/40/555545840.db2.gz HGCLWZSBEKFXCH-UHFFFAOYSA-N 0 0 443.499 5.159 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000710205 555547035 /nfs/dbraw/zinc/54/70/35/555547035.db2.gz ONOHEIVPPBBCPI-UHFFFAOYSA-N 0 0 442.875 5.347 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000710992 555547434 /nfs/dbraw/zinc/54/74/34/555547434.db2.gz KZWBKJHUZSOJGP-UHFFFAOYSA-N 0 0 435.936 5.078 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc4ccccc4c3)cc2)c1 ZINC000000712617 555547746 /nfs/dbraw/zinc/54/77/46/555547746.db2.gz JMTJGHAQORJCRM-UHFFFAOYSA-N 0 0 426.541 6.201 50 0 IKAARN O=C1CS[C@H](c2ccccc2)N1c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 ZINC000000713643 555548007 /nfs/dbraw/zinc/54/80/07/555548007.db2.gz KPUHMRRRHRPGQM-DNQXCXABSA-N 0 0 432.570 5.244 50 0 IKAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc2cc(Br)ccc2oc1=O ZINC000000713685 555548012 /nfs/dbraw/zinc/54/80/12/555548012.db2.gz VOVRXCDRKUJMTI-UHFFFAOYSA-N 0 0 445.269 5.070 50 0 IKAARN COc1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000000717900 555549167 /nfs/dbraw/zinc/54/91/67/555549167.db2.gz RXLSTMKJZAXMHX-DNQXCXABSA-N 0 0 437.923 5.510 50 0 IKAARN COc1ccc([C@@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000000717899 555549207 /nfs/dbraw/zinc/54/92/07/555549207.db2.gz RXLSTMKJZAXMHX-RPWUZVMVSA-N 0 0 437.923 5.510 50 0 IKAARN COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720686 555549885 /nfs/dbraw/zinc/54/98/85/555549885.db2.gz GNKVHPRDURDAKZ-PKTZIBPZSA-N 0 0 441.886 5.340 50 0 IKAARN Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000720709 555549906 /nfs/dbraw/zinc/54/99/06/555549906.db2.gz JLVOTLFWEAVBET-VXKWHMMOSA-N 0 0 442.298 5.566 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1Cl ZINC000000722705 555550434 /nfs/dbraw/zinc/55/04/34/555550434.db2.gz GDBOCEBLAKSGIC-UHFFFAOYSA-N 0 0 427.291 5.378 50 0 IKAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000000722730 555550439 /nfs/dbraw/zinc/55/04/39/555550439.db2.gz VANKDHAUOYRUAM-KPKJPENVSA-N 0 0 435.277 5.615 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3Cl)nc2c1 ZINC000000722600 555550496 /nfs/dbraw/zinc/55/04/96/555550496.db2.gz KDIDZDHJCQTSSK-UHFFFAOYSA-N 0 0 431.673 6.064 50 0 IKAARN CC(C)(C)c1ccc(COC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 ZINC000000722765 555550501 /nfs/dbraw/zinc/55/05/01/555550501.db2.gz HISKAQVYYLYMKC-UHFFFAOYSA-N 0 0 426.900 6.232 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1Br ZINC000000724157 555550760 /nfs/dbraw/zinc/55/07/60/555550760.db2.gz JBRYZWRAPZTZIU-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1Cl ZINC000000722916 555550796 /nfs/dbraw/zinc/55/07/96/555550796.db2.gz SSHJVJOIAHNNRF-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc(Br)cc4)c32)C1 ZINC000000724005 555550842 /nfs/dbraw/zinc/55/08/42/555550842.db2.gz VNDYHYRGEDDKAH-LLVKDONJSA-N 0 0 433.396 5.554 50 0 IKAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc(Br)cc4)c32)C1 ZINC000000724004 555550847 /nfs/dbraw/zinc/55/08/47/555550847.db2.gz VNDYHYRGEDDKAH-NSHDSACASA-N 0 0 433.396 5.554 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000000724522 555551079 /nfs/dbraw/zinc/55/10/79/555551079.db2.gz BMQNCWCPVXQHCX-UHFFFAOYSA-N 0 0 428.875 6.319 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000000724735 555551137 /nfs/dbraw/zinc/55/11/37/555551137.db2.gz HWFFHVJWRHDNQU-UHFFFAOYSA-N 0 0 435.480 5.159 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(Br)cc1 ZINC000000727138 555551693 /nfs/dbraw/zinc/55/16/93/555551693.db2.gz OAEWUKROECUXKU-UHFFFAOYSA-N 0 0 443.153 5.451 50 0 IKAARN COc1cc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c(OC)cc1Cl ZINC000000728437 555552243 /nfs/dbraw/zinc/55/22/43/555552243.db2.gz VXHGWIXQSBNGFU-UHFFFAOYSA-N 0 0 441.698 5.880 50 0 IKAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 ZINC000000729579 555552642 /nfs/dbraw/zinc/55/26/42/555552642.db2.gz XZBPLKWEYPOIEE-SFTDATJTSA-N 0 0 428.271 5.258 50 0 IKAARN Cc1c2ccccc2oc1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000000730324 555552955 /nfs/dbraw/zinc/55/29/55/555552955.db2.gz DAMROYJFIDABCM-UHFFFAOYSA-N 0 0 434.517 5.457 50 0 IKAARN CC1(C)Cc2oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3c2C(=O)C1 ZINC000000751877 555553604 /nfs/dbraw/zinc/55/36/04/555553604.db2.gz HUZZDOMFZJOHFB-UHFFFAOYSA-N 0 0 448.338 5.151 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1 ZINC000000752791 555553617 /nfs/dbraw/zinc/55/36/17/555553617.db2.gz DCIIDNRTGZBACN-UHFFFAOYSA-N 0 0 434.858 5.169 50 0 IKAARN O=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1ccc(Br)cc1 ZINC000000752768 555553623 /nfs/dbraw/zinc/55/36/23/555553623.db2.gz LMCLWHPIGZAFTN-UHFFFAOYSA-N 0 0 449.333 5.062 50 0 IKAARN COCc1cccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1 ZINC000010522838 555554524 /nfs/dbraw/zinc/55/45/24/555554524.db2.gz VYSXUKBSLKZDNM-UHFFFAOYSA-N 0 0 443.528 5.461 50 0 IKAARN Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 ZINC000000792654 555557326 /nfs/dbraw/zinc/55/73/26/555557326.db2.gz LOTUBRNKNUJHMC-UHFFFAOYSA-N 0 0 441.575 5.995 50 0 IKAARN O=C(Nc1c(C(=O)Nc2ccccc2F)cnn1-c1ccccc1Cl)c1cccs1 ZINC000000795732 555558008 /nfs/dbraw/zinc/55/80/08/555558008.db2.gz RTXDUGQMYKEPBE-UHFFFAOYSA-N 0 0 440.887 5.231 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1OC ZINC000000804687 555559625 /nfs/dbraw/zinc/55/96/25/555559625.db2.gz JVKIHCGAADPKST-UHFFFAOYSA-N 0 0 431.517 5.065 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Br ZINC000000817484 555563146 /nfs/dbraw/zinc/56/31/46/555563146.db2.gz PKMNYWDEWNQEFA-UHFFFAOYSA-N 0 0 438.281 5.303 50 0 IKAARN COc1ccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc4ccccc4c3)cc2)cc1 ZINC000000819704 555563484 /nfs/dbraw/zinc/56/34/84/555563484.db2.gz UYXPJPJNCONLMS-UHFFFAOYSA-N 0 0 442.540 5.901 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)c1 ZINC000000820964 555563498 /nfs/dbraw/zinc/56/34/98/555563498.db2.gz XWOZCOCIKIVRAX-UHFFFAOYSA-N 0 0 432.483 5.518 50 0 IKAARN Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)n1 ZINC000000818855 555563551 /nfs/dbraw/zinc/56/35/51/555563551.db2.gz LYOHICMRPDFTTK-UHFFFAOYSA-N 0 0 439.393 5.178 50 0 IKAARN CCc1ccccc1NC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000825556 555564794 /nfs/dbraw/zinc/56/47/94/555564794.db2.gz LAZURLZCAZRGBA-UHFFFAOYSA-N 0 0 444.844 5.883 50 0 IKAARN O=C(Nc1cccc(O)c1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000825574 555564819 /nfs/dbraw/zinc/56/48/19/555564819.db2.gz QWXPLFGVUFIFHX-UHFFFAOYSA-N 0 0 432.789 5.026 50 0 IKAARN Cc1cc(C(C)(C)c2ccc(OC(=O)c3ccco3)c(C)c2)ccc1OC(=O)c1ccco1 ZINC000000825816 555565163 /nfs/dbraw/zinc/56/51/63/555565163.db2.gz NIGYNDUSTYVXMR-UHFFFAOYSA-N 0 0 444.483 6.254 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)c1ccccc1 ZINC000000827398 555565432 /nfs/dbraw/zinc/56/54/32/555565432.db2.gz UFSBIIOGOZABJG-KRWDZBQOSA-N 0 0 432.524 5.043 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827117 555565492 /nfs/dbraw/zinc/56/54/92/555565492.db2.gz RPCHAMYKOOUBJI-UHFFFAOYSA-N 0 0 441.196 5.567 50 0 IKAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000827857 555565751 /nfs/dbraw/zinc/56/57/51/555565751.db2.gz WOGILIUSYIWPPN-UHFFFAOYSA-N 0 0 428.271 5.285 50 0 IKAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ccccc1 ZINC000000828941 555565981 /nfs/dbraw/zinc/56/59/81/555565981.db2.gz YYBBJYATZHOEOG-UHFFFAOYSA-N 0 0 447.585 5.057 50 0 IKAARN COc1ccc(SCC(=O)N(Cc2ccco2)c2nc3ccc(OC)cc3s2)cc1 ZINC000010528408 555565986 /nfs/dbraw/zinc/56/59/86/555565986.db2.gz QWMRGZHNHUMFOX-UHFFFAOYSA-N 0 0 440.546 5.232 50 0 IKAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc(OC)c1OC ZINC000000830219 555566289 /nfs/dbraw/zinc/56/62/89/555566289.db2.gz CGNZPUHJAGVIHJ-UHFFFAOYSA-N 0 0 438.867 5.426 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)nc2c1 ZINC000000830211 555566436 /nfs/dbraw/zinc/56/64/36/555566436.db2.gz QKGRBCMUYLXMIL-UHFFFAOYSA-N 0 0 432.476 5.335 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000000832557 555566541 /nfs/dbraw/zinc/56/65/41/555566541.db2.gz VHHJUSFYAJJOEF-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000000844975 555568970 /nfs/dbraw/zinc/56/89/70/555568970.db2.gz AFHCALYSCUAGMM-UHFFFAOYSA-N 0 0 442.372 5.009 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1Cl ZINC000000846621 555569635 /nfs/dbraw/zinc/56/96/35/555569635.db2.gz AALYZQNBCPNFQQ-VWLOTQADSA-N 0 0 445.975 5.967 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1Cl ZINC000000846622 555569678 /nfs/dbraw/zinc/56/96/78/555569678.db2.gz AALYZQNBCPNFQQ-RUZDIDTESA-N 0 0 445.975 5.967 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc1 ZINC000000848661 555570089 /nfs/dbraw/zinc/57/00/89/555570089.db2.gz WKYYTBIVMUVMDN-UHFFFAOYSA-N 0 0 438.409 5.178 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000000850290 555570503 /nfs/dbraw/zinc/57/05/03/555570503.db2.gz AZRKMZDYYDRLIE-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc5ccccc5o4)cc3)sc2c1 ZINC000000854108 555570672 /nfs/dbraw/zinc/57/06/72/555570672.db2.gz BWBWVWYEMZZYGA-UHFFFAOYSA-N 0 0 431.542 6.144 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(Br)cc1 ZINC000000853655 555570710 /nfs/dbraw/zinc/57/07/10/555570710.db2.gz YNAVPYHOYCWHDK-UHFFFAOYSA-N 0 0 434.384 5.063 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)Cc1cccs1 ZINC000000861315 555572343 /nfs/dbraw/zinc/57/23/43/555572343.db2.gz ZAGPJASNWIVYMI-UHFFFAOYSA-N 0 0 442.562 5.037 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1CCNc1cccc3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000000861679 555572623 /nfs/dbraw/zinc/57/26/23/555572623.db2.gz WQXHEGTWVZPWKT-XQOSCOKLSA-N 0 0 444.534 5.144 50 0 IKAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865692 555573585 /nfs/dbraw/zinc/57/35/85/555573585.db2.gz RYUKZPBMUUHLPI-KBPBESRZSA-N 0 0 440.878 5.188 50 0 IKAARN O=C(Nc1ccc(O)cc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000865910 555573824 /nfs/dbraw/zinc/57/38/24/555573824.db2.gz NXWKUGIKCUDCHF-YPMHNXCESA-N 0 0 442.850 5.216 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000866505 555573995 /nfs/dbraw/zinc/57/39/95/555573995.db2.gz RQFQCESTUKGTTQ-IUODEOHRSA-N 0 0 442.850 5.216 50 0 IKAARN COc1cc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c(OC)cc1Cl ZINC000000869322 555574676 /nfs/dbraw/zinc/57/46/76/555574676.db2.gz MJDOQRXNTHEXCH-UHFFFAOYSA-N 0 0 425.243 5.365 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 ZINC000000873209 555575916 /nfs/dbraw/zinc/57/59/16/555575916.db2.gz PBVQXIDKEZLTTN-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000000876609 555576147 /nfs/dbraw/zinc/57/61/47/555576147.db2.gz OAVRJZFCMGTEHO-UHFFFAOYSA-N 0 0 448.523 5.025 50 0 IKAARN O=C(C=Cc1nc2ccccc2s1)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009467981 555576242 /nfs/dbraw/zinc/57/62/42/555576242.db2.gz BWPLCWKOWKEPQY-ZHACJKMWSA-N 0 0 445.525 5.018 50 0 IKAARN CCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)Nc3cccc(C(C)=O)c3)nc21 ZINC000000877546 555576430 /nfs/dbraw/zinc/57/64/30/555576430.db2.gz ZWFHETPBANFCLG-HXUWFJFHSA-N 0 0 447.564 5.102 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1Br ZINC000000877631 555576442 /nfs/dbraw/zinc/57/64/42/555576442.db2.gz YXHVOWCHRXSEGA-UHFFFAOYSA-N 0 0 437.746 5.795 50 0 IKAARN Cc1cccc(C)c1N(C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000009509901 555577509 /nfs/dbraw/zinc/57/75/09/555577509.db2.gz FRZUBPRVNIZVJS-ACCUITESSA-N 0 0 428.513 6.020 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000000882216 555578061 /nfs/dbraw/zinc/57/80/61/555578061.db2.gz ORDBZXQXPVLICM-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CCc1ccccc1NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F ZINC000000883998 555578324 /nfs/dbraw/zinc/57/83/24/555578324.db2.gz QAHWGGZMPUUDOP-WOJBJXKFSA-N 0 0 444.457 5.367 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000000888088 555579230 /nfs/dbraw/zinc/57/92/30/555579230.db2.gz FTLKMJLLPAMPLH-BBITVKMKSA-N 0 0 444.328 5.154 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N(C)C3CCCCC3)n2)cc1 ZINC000000890693 555579818 /nfs/dbraw/zinc/57/98/18/555579818.db2.gz QAIZRGKGEAMAAD-UHFFFAOYSA-N 0 0 439.503 5.054 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000000890736 555579822 /nfs/dbraw/zinc/57/98/22/555579822.db2.gz CLMSSFFIHQUARF-UHFFFAOYSA-N 0 0 433.455 5.210 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000000897279 555580633 /nfs/dbraw/zinc/58/06/33/555580633.db2.gz KLPOUIZVRXHFAA-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1F ZINC000000901193 555581019 /nfs/dbraw/zinc/58/10/19/555581019.db2.gz XMZIZIQMLGUOHC-CYBMUJFWSA-N 0 0 435.446 5.729 50 0 IKAARN COc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000901218 555581032 /nfs/dbraw/zinc/58/10/32/555581032.db2.gz QYFHCQQIEIHRQJ-ZDUSSCGKSA-N 0 0 433.455 5.290 50 0 IKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1F ZINC000000901194 555581172 /nfs/dbraw/zinc/58/11/72/555581172.db2.gz XMZIZIQMLGUOHC-ZDUSSCGKSA-N 0 0 435.446 5.729 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1ccc(Cl)cc1 ZINC000000901456 555581377 /nfs/dbraw/zinc/58/13/77/555581377.db2.gz GXZHDEZGACBFDI-UHFFFAOYSA-N 0 0 443.903 5.286 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901719 555581437 /nfs/dbraw/zinc/58/14/37/555581437.db2.gz JFCYNXCSUHQSDO-GFCCVEGCSA-N 0 0 435.496 5.294 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 ZINC000000901375 555581460 /nfs/dbraw/zinc/58/14/60/555581460.db2.gz OCFIDDNDVQZKAH-UHFFFAOYSA-N 0 0 437.468 5.157 50 0 IKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1Cl ZINC000000902290 555581573 /nfs/dbraw/zinc/58/15/73/555581573.db2.gz ASQJVTHJTDBONH-UHFFFAOYSA-N 0 0 448.253 5.793 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000902285 555581639 /nfs/dbraw/zinc/58/16/39/555581639.db2.gz QTHCZCUFNNAOJX-UHFFFAOYSA-N 0 0 427.835 5.448 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c(C)c1 ZINC000000904267 555581660 /nfs/dbraw/zinc/58/16/60/555581660.db2.gz FGUZHDGOROVSLP-UHFFFAOYSA-N 0 0 447.539 5.124 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000000907213 555581905 /nfs/dbraw/zinc/58/19/05/555581905.db2.gz CUJFQVJSZIIHTP-UHFFFAOYSA-N 0 0 437.528 5.213 50 0 IKAARN Cc1ccc(F)cc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000917978 555583757 /nfs/dbraw/zinc/58/37/57/555583757.db2.gz ZHOYONDDWQXKAI-UHFFFAOYSA-N 0 0 425.407 5.324 50 0 IKAARN CC(=O)c1cccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 ZINC000000918012 555584050 /nfs/dbraw/zinc/58/40/50/555584050.db2.gz TUNCIBHRJPETBO-UHFFFAOYSA-N 0 0 435.427 5.079 50 0 IKAARN COc1ccc(N[C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000000921738 555584938 /nfs/dbraw/zinc/58/49/38/555584938.db2.gz KBTDSMFTEQFISH-RPBOFIJWSA-N 0 0 430.529 5.035 50 0 IKAARN COc1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c(C)ccc34)n2C(C)C)cc1 ZINC000009664071 555585666 /nfs/dbraw/zinc/58/56/66/555585666.db2.gz GOHBFVRMVPJSBI-UHFFFAOYSA-N 0 0 435.549 5.550 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1OC ZINC000000936554 555585955 /nfs/dbraw/zinc/58/59/55/555585955.db2.gz NSQDSAPIBSAFOE-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN CCOC(=O)C1=C(NC(=O)c2ccco2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 ZINC000000939937 555586795 /nfs/dbraw/zinc/58/67/95/555586795.db2.gz IZEHNYOWGMVBQM-QFIPXVFZSA-N 0 0 439.467 5.162 50 0 IKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000000939989 555586815 /nfs/dbraw/zinc/58/68/15/555586815.db2.gz UMTXSWXGQKREAY-UHFFFAOYSA-N 0 0 438.354 5.031 50 0 biogenic IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c23)cc1C ZINC000000941411 555587039 /nfs/dbraw/zinc/58/70/39/555587039.db2.gz RRDAYMQKIHCFDF-UHFFFAOYSA-N 0 0 441.915 5.173 50 0 IKAARN CC(C)c1ccccc1Oc1coc2cc(OCC(=O)Nc3ccccc3F)ccc2c1=O ZINC000000941390 555587054 /nfs/dbraw/zinc/58/70/54/555587054.db2.gz SNXAEYGCLPMFBC-UHFFFAOYSA-N 0 0 447.462 5.865 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cncc(Br)c1 ZINC000000941819 555587067 /nfs/dbraw/zinc/58/70/67/555587067.db2.gz PQZBKIJMQAYHJN-UHFFFAOYSA-N 0 0 431.311 5.002 50 0 IKAARN COc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OC4CCCCC4)ccc3c2=O)cc1 ZINC000000942574 555587331 /nfs/dbraw/zinc/58/73/31/555587331.db2.gz FYGCCBSTPVVYGX-INIZCTEOSA-N 0 0 438.476 5.237 50 0 IKAARN COC(=O)c1cc(Cl)c(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1OC ZINC000000943587 555587406 /nfs/dbraw/zinc/58/74/06/555587406.db2.gz PGVDMZUQRASMJL-UHFFFAOYSA-N 0 0 435.263 5.004 50 0 IKAARN CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1 ZINC000000944093 555587715 /nfs/dbraw/zinc/58/77/15/555587715.db2.gz TXXNOZXSYMJCNG-IBGZPJMESA-N 0 0 433.573 6.538 50 0 IKAARN COc1cc(C(=O)O[C@@H](c2ccccc2)c2nccc3ccccc32)cc(OC)c1OC ZINC000000944830 555587940 /nfs/dbraw/zinc/58/79/40/555587940.db2.gz AJJHWJZAMWDEKK-DEOSSOPVSA-N 0 0 429.472 5.207 50 0 IKAARN COC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000000947506 555588234 /nfs/dbraw/zinc/58/82/34/555588234.db2.gz HRUZNTLJLFCIBS-UHFFFAOYSA-N 0 0 444.361 5.309 50 0 IKAARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1CCc1ccccc1 ZINC000000950094 555588739 /nfs/dbraw/zinc/58/87/39/555588739.db2.gz RBKQBICZXYKFIP-UHFFFAOYSA-N 0 0 447.629 5.816 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)NCc1ccccc1 ZINC000000955558 555590095 /nfs/dbraw/zinc/59/00/95/555590095.db2.gz BKBYKLUFJOGYSE-UHFFFAOYSA-N 0 0 425.966 5.420 50 0 IKAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1NCCc1ccc(OC)c(OC)c1 ZINC000000955767 555590326 /nfs/dbraw/zinc/59/03/26/555590326.db2.gz OJOSZGPQDVAFJG-UHFFFAOYSA-N 0 0 448.441 5.102 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000956579 555590410 /nfs/dbraw/zinc/59/04/10/555590410.db2.gz YAGXBUMWLLJJJH-INIZCTEOSA-N 0 0 437.609 5.468 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000000958149 555590616 /nfs/dbraw/zinc/59/06/16/555590616.db2.gz SKBAQECNUPQYGL-UHFFFAOYSA-N 0 0 432.520 5.479 50 0 IKAARN Cc1cc(C)c(C)c(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1 ZINC000000957233 555590673 /nfs/dbraw/zinc/59/06/73/555590673.db2.gz DRWJULIYAIFWGT-UHFFFAOYSA-N 0 0 443.499 5.206 50 0 IKAARN CCOc1cc(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc(OCC)c1OCC ZINC000000959510 555591021 /nfs/dbraw/zinc/59/10/21/555591021.db2.gz SODXYHBXLNJMMH-UHFFFAOYSA-N 0 0 449.503 5.354 50 0 IKAARN COC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OC)C1c1ccc(Cl)cc1Cl ZINC000000968769 555591169 /nfs/dbraw/zinc/59/11/69/555591169.db2.gz ROUMYKYDXJPWMB-CQSZACIVSA-N 0 0 446.330 5.268 50 0 IKAARN COc1cccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)c1 ZINC000009591776 555592226 /nfs/dbraw/zinc/59/22/26/555592226.db2.gz GZJYOBWIFWCOGR-UHFFFAOYSA-N 0 0 434.590 5.628 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000000976168 555592289 /nfs/dbraw/zinc/59/22/89/555592289.db2.gz DIFGXHPIWGKQEL-UHFFFAOYSA-N 0 0 442.544 5.176 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)oc2cc1C ZINC000000980430 555593159 /nfs/dbraw/zinc/59/31/59/555593159.db2.gz CUKQEJLGGVIWAQ-UHFFFAOYSA-N 0 0 433.508 5.686 50 0 IKAARN Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=O)N(C(C)C)C3=O)c3ccccc32)cc1 ZINC000000981502 555593721 /nfs/dbraw/zinc/59/37/21/555593721.db2.gz LEYYEEHNZVEZQH-CIAFOILYSA-N 0 0 433.533 5.033 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2ccccc2F)cc1 ZINC000000982824 555593908 /nfs/dbraw/zinc/59/39/08/555593908.db2.gz NCBQNYSQXOKQPW-UHFFFAOYSA-N 0 0 440.540 5.092 50 0 IKAARN COc1ccccc1-c1nc2c(c(C)nn2-c2ccccc2)c2cc(OC)c(OC)cc21 ZINC000000988434 555595315 /nfs/dbraw/zinc/59/53/15/555595315.db2.gz DLNMVHXVMQPHJQ-UHFFFAOYSA-N 0 0 425.488 5.575 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1ccc(Cl)cc1 ZINC000000988001 555595384 /nfs/dbraw/zinc/59/53/84/555595384.db2.gz GSPRQOJAEVREGT-UHFFFAOYSA-N 0 0 445.931 5.550 50 0 IKAARN Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(Br)cc4)c3)oc2c1 ZINC000000989771 555595524 /nfs/dbraw/zinc/59/55/24/555595524.db2.gz HOGQECZZFYEERM-UHFFFAOYSA-N 0 0 437.293 5.583 50 0 IKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc2c(Br)cccc12 ZINC000000989713 555595540 /nfs/dbraw/zinc/59/55/40/555595540.db2.gz FLHAEQNTAQNNLL-UHFFFAOYSA-N 0 0 444.288 6.058 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000000990066 555595895 /nfs/dbraw/zinc/59/58/95/555595895.db2.gz VLYCUTODYWPLLC-MUUNZHRXSA-N 0 0 427.544 5.300 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)c1 ZINC000000989982 555595983 /nfs/dbraw/zinc/59/59/83/555595983.db2.gz YQLXZIDZXYEJHU-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN O=C(COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1 ZINC000000991871 555596491 /nfs/dbraw/zinc/59/64/91/555596491.db2.gz YXTXAAFDIQKULD-UHFFFAOYSA-N 0 0 446.261 5.425 50 0 IKAARN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000000991753 555596565 /nfs/dbraw/zinc/59/65/65/555596565.db2.gz VHGKKDPDMDTGDH-SFHVURJKSA-N 0 0 442.515 5.534 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cccc(Cl)c3n2)cc1 ZINC000000992741 555596870 /nfs/dbraw/zinc/59/68/70/555596870.db2.gz RAGYHYSJILEIGT-UHFFFAOYSA-N 0 0 431.875 5.604 50 0 IKAARN COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000992686 555596940 /nfs/dbraw/zinc/59/69/40/555596940.db2.gz GZQCSVSRVAOSIU-UHFFFAOYSA-N 0 0 434.311 5.051 50 0 IKAARN Cc1cccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Cl)c(Cl)c4)cc3C2=O)c1 ZINC000000992852 555597127 /nfs/dbraw/zinc/59/71/27/555597127.db2.gz SRLHJAMZHAYVGC-UHFFFAOYSA-N 0 0 440.282 5.459 50 0 IKAARN COc1cccc(C(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000000993181 555597485 /nfs/dbraw/zinc/59/74/85/555597485.db2.gz OWKSMFBUCNGQQP-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000995902 555598328 /nfs/dbraw/zinc/59/83/28/555598328.db2.gz KCHJKBABEULGKB-JLHYYAGUSA-N 0 0 448.972 5.021 50 0 IKAARN Cc1c(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000995140 555598336 /nfs/dbraw/zinc/59/83/36/555598336.db2.gz MEWLWZBFKOASCO-UHFFFAOYSA-N 0 0 448.526 5.260 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1ccc(C(C)C)cc1 ZINC000000995070 555598384 /nfs/dbraw/zinc/59/83/84/555598384.db2.gz HSRKEFXKFWHDMM-UHFFFAOYSA-N 0 0 430.570 5.091 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000996453 555598619 /nfs/dbraw/zinc/59/86/19/555598619.db2.gz BXKYZUZHOHPREJ-UHFFFAOYSA-N 0 0 435.501 5.312 50 0 aggregator IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Br)cc1Br ZINC000000996267 555598710 /nfs/dbraw/zinc/59/87/10/555598710.db2.gz ZCPFUWMHBSCGCH-UHFFFAOYSA-N 0 0 436.103 5.427 50 0 IKAARN C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000000998763 555599535 /nfs/dbraw/zinc/59/95/35/555599535.db2.gz ONYYOXQBBGVBPH-VIFPVBQESA-N 0 0 446.208 5.525 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc(Br)cc1 ZINC000001000965 555600099 /nfs/dbraw/zinc/60/00/99/555600099.db2.gz YWOQSIGGMGUQQO-UHFFFAOYSA-N 0 0 425.113 5.253 50 0 IKAARN CCOc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 ZINC000001000374 555600125 /nfs/dbraw/zinc/60/01/25/555600125.db2.gz DGBCLFXFNXYCRG-UHFFFAOYSA-N 0 0 447.560 5.977 50 0 IKAARN C[C@H]1CN(C(=O)/C=C/c2ccccc2Cl)[C@@H](C)CN1C(=O)/C=C/c1ccccc1Cl ZINC000001000838 555600174 /nfs/dbraw/zinc/60/01/74/555600174.db2.gz PNFOVWBPCOGLDD-KGMIGHOGSA-N 0 0 443.374 5.168 50 0 IKAARN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cc(Br)ccc1Cl ZINC000001000638 555600195 /nfs/dbraw/zinc/60/01/95/555600195.db2.gz VMXXQUJZOWIXFR-UHFFFAOYSA-N 0 0 437.668 5.248 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(OCC)cc3)cc2)cc1 ZINC000001003153 555600492 /nfs/dbraw/zinc/60/04/92/555600492.db2.gz NEXMKTFJNCXBPW-UHFFFAOYSA-N 0 0 434.496 5.772 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)c2ccccc2n1 ZINC000001002805 555600524 /nfs/dbraw/zinc/60/05/24/555600524.db2.gz ALTRQIXZUZHWHS-UHFFFAOYSA-N 0 0 440.499 5.648 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001003083 555600541 /nfs/dbraw/zinc/60/05/41/555600541.db2.gz JYWPKMILJQQEDO-UHFFFAOYSA-N 0 0 432.352 5.605 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(C)C)cc4)c3n2)cc1 ZINC000001003162 555600558 /nfs/dbraw/zinc/60/05/58/555600558.db2.gz IWHAEEYRWCDELB-UHFFFAOYSA-N 0 0 436.462 5.718 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)ccc4F)c3n2)cc1 ZINC000001003115 555600560 /nfs/dbraw/zinc/60/05/60/555600560.db2.gz ORXSUFSDJVOAFW-UHFFFAOYSA-N 0 0 426.398 5.042 50 0 IKAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000001003815 555600723 /nfs/dbraw/zinc/60/07/23/555600723.db2.gz XDBCOAWUOQJORN-UHFFFAOYSA-N 0 0 429.929 5.402 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3OCC)ccc2Cl)cc1 ZINC000001006647 555601095 /nfs/dbraw/zinc/60/10/95/555601095.db2.gz JLGJXCOGJOZIDB-UHFFFAOYSA-N 0 0 438.911 5.642 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc(OC(F)F)cc1 ZINC000001006923 555601117 /nfs/dbraw/zinc/60/11/17/555601117.db2.gz KALLSMPKSFMJAM-UHFFFAOYSA-N 0 0 428.485 5.935 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000009613928 555601650 /nfs/dbraw/zinc/60/16/50/555601650.db2.gz BDHVAQOUIFCQBO-SFHVURJKSA-N 0 0 446.620 5.052 50 0 IKAARN O=C(Nc1ccccc1O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3O)c2)cc1 ZINC000001010611 555601962 /nfs/dbraw/zinc/60/19/62/555601962.db2.gz ARMUMDQSBHKWPS-UHFFFAOYSA-N 0 0 440.455 5.395 50 0 IKAARN O=C(NCc1ccccc1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001013674 555602275 /nfs/dbraw/zinc/60/22/75/555602275.db2.gz COTKTIGXVQDBSX-UHFFFAOYSA-N 0 0 436.846 5.060 50 0 IKAARN COc1ccccc1OCCn1cc(/C=C2\N=C(c3ccccc3)OC2=O)c2ccccc21 ZINC000001016399 555602455 /nfs/dbraw/zinc/60/24/55/555602455.db2.gz HYZRJUZUQKRMCM-XLNRJJMWSA-N 0 0 438.483 5.073 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000001017041 555602845 /nfs/dbraw/zinc/60/28/45/555602845.db2.gz VGAGNKVFIWGXNF-NSHDSACASA-N 0 0 427.136 5.180 50 0 IKAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000001019499 555603328 /nfs/dbraw/zinc/60/33/28/555603328.db2.gz VPHPCZJHDIRLCW-LEWJYISDSA-N 0 0 425.912 5.020 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)OCc1cccc(COC(=O)Nc2ccc(Cl)cc2)n1 ZINC000001024353 555604007 /nfs/dbraw/zinc/60/40/07/555604007.db2.gz BUQYGEPVLVRVRA-UHFFFAOYSA-N 0 0 446.290 5.886 50 0 IKAARN CCCc1c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1 ZINC000001026484 555604309 /nfs/dbraw/zinc/60/43/09/555604309.db2.gz LOEZFQMZZKZHOO-UHFFFAOYSA-N 0 0 438.837 6.021 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000001026791 555604680 /nfs/dbraw/zinc/60/46/80/555604680.db2.gz CRIFEDUBIMGAOR-UHFFFAOYSA-N 0 0 434.323 6.194 50 0 IKAARN O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)Nc1cc(Cl)cc(Cl)c1 ZINC000001029301 555605426 /nfs/dbraw/zinc/60/54/26/555605426.db2.gz VZGJTUBOCOLJES-UHFFFAOYSA-N 0 0 431.201 5.384 50 0 IKAARN O=S(=O)(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccccc1 ZINC000001032423 555606155 /nfs/dbraw/zinc/60/61/55/555606155.db2.gz JJLITAODOZQIEK-UHFFFAOYSA-N 0 0 449.479 5.420 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 ZINC000001032395 555606170 /nfs/dbraw/zinc/60/61/70/555606170.db2.gz YDWCDJWXNRWYIP-UHFFFAOYSA-N 0 0 433.533 5.252 50 0 IKAARN Cc1noc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000001032410 555606204 /nfs/dbraw/zinc/60/62/04/555606204.db2.gz KCMKURVVPUDODM-UHFFFAOYSA-N 0 0 432.427 5.477 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000001032428 555606243 /nfs/dbraw/zinc/60/62/43/555606243.db2.gz UUAPTDFFGBZGBY-UHFFFAOYSA-N 0 0 428.439 6.264 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000001032648 555606543 /nfs/dbraw/zinc/60/65/43/555606543.db2.gz HBZNRNXGLYUDBY-IBGZPJMESA-N 0 0 431.439 5.090 50 0 IKAARN Cc1sc(NC(=O)c2csc(-c3cccs3)n2)nc1-c1ccc(C)c(Cl)c1 ZINC000001033474 555606737 /nfs/dbraw/zinc/60/67/37/555606737.db2.gz BMTOZJLAKORMPG-UHFFFAOYSA-N 0 0 431.995 6.518 50 0 IKAARN Cc1sc(NC(=O)c2cncc(-c3cccs3)c2)nc1-c1ccc(C)c(Cl)c1 ZINC000001033475 555606768 /nfs/dbraw/zinc/60/67/68/555606768.db2.gz VUUWNGFRKMOWHJ-UHFFFAOYSA-N 0 0 425.966 6.456 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)c1nnc(C(F)(F)F)s1 ZINC000001033255 555606794 /nfs/dbraw/zinc/60/67/94/555606794.db2.gz NQKQOCQSQMMKIL-UHFFFAOYSA-N 0 0 437.230 5.104 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)cc1 ZINC000001034033 555607373 /nfs/dbraw/zinc/60/73/73/555607373.db2.gz DJEMJJJXPCWOJN-UHFFFAOYSA-N 0 0 429.442 6.834 50 0 IKAARN Cc1ccc(Oc2ncccc2NC(=O)c2ccc(C(F)(F)F)nc2C)c2c1CCC2 ZINC000001034351 555607391 /nfs/dbraw/zinc/60/73/91/555607391.db2.gz ZWWLUHVOEALSTF-UHFFFAOYSA-N 0 0 427.426 5.646 50 0 IKAARN O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000001034333 555607395 /nfs/dbraw/zinc/60/73/95/555607395.db2.gz LERGUJFZRDEBAT-UHFFFAOYSA-N 0 0 428.513 5.946 50 0 IKAARN O=C(Nc1ccccc1)OCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000001034767 555607657 /nfs/dbraw/zinc/60/76/57/555607657.db2.gz NERLGZQWNOXNCL-UHFFFAOYSA-N 0 0 429.316 6.733 50 0 IKAARN Cc1cc(C)c2c(n1)sc1c2ncnc1SCC(=O)c1ccc(Br)cc1 ZINC000001035459 555607692 /nfs/dbraw/zinc/60/76/92/555607692.db2.gz VCVURYCOVWNUFI-UHFFFAOYSA-N 0 0 444.379 5.594 50 0 IKAARN COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=S)NCc2ccccc2)cc1 ZINC000001035516 555607773 /nfs/dbraw/zinc/60/77/73/555607773.db2.gz JFODARZXLSRAHZ-NOZRDPDXSA-N 0 0 427.573 5.093 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000001035011 555607830 /nfs/dbraw/zinc/60/78/30/555607830.db2.gz WCGPHKQWIKXFOV-UHFFFAOYSA-N 0 0 446.319 6.119 50 0 IKAARN Cc1cc(N2C(=S)N=NC2c2cccnc2Oc2ccccc2)ccc1Br ZINC000001036329 555608524 /nfs/dbraw/zinc/60/85/24/555608524.db2.gz ZAVRIOUTVJFXGO-UHFFFAOYSA-N 0 0 439.338 5.481 50 0 IKAARN O=C(Nc1cscc1S(=O)(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000001037572 555608658 /nfs/dbraw/zinc/60/86/58/555608658.db2.gz IJXXNWQEUGPBHE-UHFFFAOYSA-N 0 0 445.871 5.505 50 0 IKAARN CSc1sc(-c2ccnc(SCC(=O)C(C)(C)C)n2)c2c1C(=O)CC(C)(C)C2 ZINC000001038125 555608708 /nfs/dbraw/zinc/60/87/08/555608708.db2.gz HTTUDTPGCNQEIZ-UHFFFAOYSA-N 0 0 434.652 5.789 50 0 IKAARN O=C(Nc1cc(F)c(Cl)cc1NC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000001037890 555608732 /nfs/dbraw/zinc/60/87/32/555608732.db2.gz GHJNITKNZVJJSA-UHFFFAOYSA-N 0 0 437.685 6.291 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c(C)c1Br ZINC000001039274 555609385 /nfs/dbraw/zinc/60/93/85/555609385.db2.gz AXEUHOJTTMEJLH-UHFFFAOYSA-N 0 0 443.128 5.463 50 0 IKAARN O=C(NC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1)Nc1ccc(F)cc1 ZINC000001039464 555609394 /nfs/dbraw/zinc/60/93/94/555609394.db2.gz YOPUAAVXSHWFGF-UHFFFAOYSA-N 0 0 443.809 5.583 50 0 IKAARN O=C(NCc1sccc1COc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000001039547 555609398 /nfs/dbraw/zinc/60/93/98/555609398.db2.gz KKADQJUSBBIFPP-UHFFFAOYSA-N 0 0 440.874 6.321 50 0 IKAARN COc1cc(OC)c(NC(=O)[C@@H](Sc2ccccc2N)c2ccccc2)cc1Cl ZINC000001042454 555610139 /nfs/dbraw/zinc/61/01/39/555610139.db2.gz QYHJXSLNYFPKEX-NRFANRHFSA-N 0 0 428.941 5.412 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000001042474 555610163 /nfs/dbraw/zinc/61/01/63/555610163.db2.gz ZBBMJPXMAIQKAN-UHFFFAOYSA-N 0 0 432.701 6.156 50 0 IKAARN O=C(Nc1ccccc1SCc1noc(-c2cccs2)n1)c1c(F)cccc1F ZINC000001046659 555610915 /nfs/dbraw/zinc/61/09/15/555610915.db2.gz YTRMRQLWOWNKEH-UHFFFAOYSA-N 0 0 429.473 5.621 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3n2C(C)C)cc1 ZINC000001047588 555611560 /nfs/dbraw/zinc/61/15/60/555611560.db2.gz ZDWXKDPNNBYAQA-UHFFFAOYSA-N 0 0 435.515 6.490 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1NC(=O)Nc1c(C)onc1-c1ccccc1Cl ZINC000001048606 555611807 /nfs/dbraw/zinc/61/18/07/555611807.db2.gz CPFRTFMHIZRUCH-UHFFFAOYSA-N 0 0 443.290 6.564 50 0 IKAARN Cc1cccc(C(C)C)c1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001048715 555612098 /nfs/dbraw/zinc/61/20/98/555612098.db2.gz VHVZXUPCKQNRBU-UHFFFAOYSA-N 0 0 425.394 5.957 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1c(F)cccc1Cl ZINC000001048916 555612105 /nfs/dbraw/zinc/61/21/05/555612105.db2.gz CDLLYPQXLGNEQR-UHFFFAOYSA-N 0 0 429.662 6.498 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1C ZINC000001049295 555612479 /nfs/dbraw/zinc/61/24/79/555612479.db2.gz IVJTVZNEZFLETP-UHFFFAOYSA-N 0 0 430.533 5.314 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(Br)ccc1Cl ZINC000001054339 555614349 /nfs/dbraw/zinc/61/43/49/555614349.db2.gz UAVBRQVZNDPDRO-UHFFFAOYSA-N 0 0 444.734 5.104 50 0 IKAARN COc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 ZINC000001058008 555615113 /nfs/dbraw/zinc/61/51/13/555615113.db2.gz GFTZAACOYLGYHQ-UHFFFAOYSA-N 0 0 432.332 6.135 50 0 IKAARN COc1ccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cc1 ZINC000001059164 555615424 /nfs/dbraw/zinc/61/54/24/555615424.db2.gz OVGXSKCZYHLZKP-UHFFFAOYSA-N 0 0 434.590 5.269 50 0 IKAARN Cc1nc2c3cc4c(nc3sc2c(NCc2ccc(OC(C)C)cc2)n1)CC(C)(C)OC4 ZINC000001060756 555616049 /nfs/dbraw/zinc/61/60/49/555616049.db2.gz UGZHMSJJRYDOJL-UHFFFAOYSA-N 0 0 448.592 5.799 50 0 IKAARN COc1ccc(NC2=C[C@H](c3cccc4ccccc43)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001061507 555616355 /nfs/dbraw/zinc/61/63/55/555616355.db2.gz LXYJQHIAWSPLLQ-HHHXNRCGSA-N 0 0 436.511 5.941 50 0 IKAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000001061910 555616731 /nfs/dbraw/zinc/61/67/31/555616731.db2.gz OXAJWBFQXYTRMA-UHFFFAOYSA-N 0 0 449.528 5.113 50 0 IKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c1 ZINC000001062701 555617017 /nfs/dbraw/zinc/61/70/17/555617017.db2.gz GXACSZVFSNVAMZ-UHFFFAOYSA-N 0 0 430.504 6.278 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(C)cc23)cc1 ZINC000001063880 555617274 /nfs/dbraw/zinc/61/72/74/555617274.db2.gz ZIDABLCSUNYMSB-UHFFFAOYSA-N 0 0 438.483 6.229 50 0 IKAARN CC(C)N(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(Br)cc1 ZINC000001063943 555617300 /nfs/dbraw/zinc/61/73/00/555617300.db2.gz OFONOAVQUPWZEH-UHFFFAOYSA-N 0 0 434.721 5.203 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000001067894 555619263 /nfs/dbraw/zinc/61/92/63/555619263.db2.gz SPPHFGUGJFDKPV-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1sc2ccccc2c1Cl ZINC000001069189 555619962 /nfs/dbraw/zinc/61/99/62/555619962.db2.gz PLXHACKKICFYTI-UHFFFAOYSA-N 0 0 436.899 5.988 50 0 IKAARN COc1cc(NC(=O)COc2cccc(C)c2C)ccc1NC(=O)c1ccccc1Cl ZINC000001069395 555620282 /nfs/dbraw/zinc/62/02/82/555620282.db2.gz SIBGIECYAHNZQH-UHFFFAOYSA-N 0 0 438.911 5.235 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccc4Cl)c3N2)cc1 ZINC000001070280 555620807 /nfs/dbraw/zinc/62/08/07/555620807.db2.gz CMPXQTNSKIDVIX-RBUKOAKNSA-N 0 0 448.876 5.435 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)s1 ZINC000001070284 555620895 /nfs/dbraw/zinc/62/08/95/555620895.db2.gz SQDZJOOWIRXVTD-QHCPKHFHSA-N 0 0 425.937 5.026 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c(C)c1 ZINC000001070819 555621175 /nfs/dbraw/zinc/62/11/75/555621175.db2.gz WAIOHRDXEIHERI-HNNXBMFYSA-N 0 0 433.573 6.437 50 0 IKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001072052 555621577 /nfs/dbraw/zinc/62/15/77/555621577.db2.gz CNVRPUBSQLVWAA-UHFFFAOYSA-N 0 0 448.828 5.629 50 0 IKAARN Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3nnc(C4CCCCC4)s3)c2c1 ZINC000001073455 555622457 /nfs/dbraw/zinc/62/24/57/555622457.db2.gz QDYLOSNSSAQUAG-UHFFFAOYSA-N 0 0 443.576 6.065 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)cc(-c3ccccn3)nc12 ZINC000001073349 555622473 /nfs/dbraw/zinc/62/24/73/555622473.db2.gz LYFXRTVFVNKDND-HNNXBMFYSA-N 0 0 445.906 5.478 50 0 IKAARN O=C(c1cc(-c2ccccn2)nc2ccc(Br)cc21)N1CCc2ccccc2C1 ZINC000001073326 555622629 /nfs/dbraw/zinc/62/26/29/555622629.db2.gz XOQCCAVJGGBFMX-UHFFFAOYSA-N 0 0 444.332 5.258 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2cccnc2)nc2c(Cl)cccc12 ZINC000001073881 555622811 /nfs/dbraw/zinc/62/28/11/555622811.db2.gz YCDZOXSFNOAIKQ-UHFFFAOYSA-N 0 0 438.712 5.965 50 0 IKAARN Cc1cc(F)ccc1NC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000001073854 555622822 /nfs/dbraw/zinc/62/28/22/555622822.db2.gz IYVNZLWIXHPQNC-UHFFFAOYSA-N 0 0 436.284 5.759 50 0 IKAARN Cc1cnc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc32)s1 ZINC000001073738 555622863 /nfs/dbraw/zinc/62/28/63/555622863.db2.gz ZAWVQJPEKPXGIR-UHFFFAOYSA-N 0 0 425.311 5.077 50 0 IKAARN CC(C)Oc1cccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)c1 ZINC000001074194 555623262 /nfs/dbraw/zinc/62/32/62/555623262.db2.gz CELCTJMYKSWFJT-UHFFFAOYSA-N 0 0 440.499 5.348 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)s1 ZINC000001074088 555623272 /nfs/dbraw/zinc/62/32/72/555623272.db2.gz JLILSRGPGHRPMH-UHFFFAOYSA-N 0 0 435.574 5.555 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000001075014 555623740 /nfs/dbraw/zinc/62/37/40/555623740.db2.gz SUAUBBRHYVMSRW-UHFFFAOYSA-N 0 0 447.494 5.722 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000001076719 555624249 /nfs/dbraw/zinc/62/42/49/555624249.db2.gz FRMKVGCIVFVYNE-UHFFFAOYSA-N 0 0 444.512 5.532 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(C/C=C/c3ccccc3)C2=O)cc1 ZINC000001076379 555624259 /nfs/dbraw/zinc/62/42/59/555624259.db2.gz NMDJVHPNSFOFAP-CQMIANAGSA-N 0 0 439.555 5.505 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000001076372 555624354 /nfs/dbraw/zinc/62/43/54/555624354.db2.gz SHDQAMIFOJALCO-IINUCZPTSA-N 0 0 437.539 5.086 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3Cl)C2)cc1OC ZINC000001077195 555624631 /nfs/dbraw/zinc/62/46/31/555624631.db2.gz UYNXXBFINIYPOG-SFHVURJKSA-N 0 0 426.925 5.410 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1Cl ZINC000001077930 555625216 /nfs/dbraw/zinc/62/52/16/555625216.db2.gz BAGQLQNGLJXVDI-UHFFFAOYSA-N 0 0 444.340 5.537 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000001078638 555625281 /nfs/dbraw/zinc/62/52/81/555625281.db2.gz KEVTXOLMSYCBJI-UHFFFAOYSA-N 0 0 433.943 5.481 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c1 ZINC000001079270 555625564 /nfs/dbraw/zinc/62/55/64/555625564.db2.gz OJPXPZJLYRJEQY-UHFFFAOYSA-N 0 0 446.503 5.896 50 0 IKAARN Cc1coc(C)c1C(=O)C[C@@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000001079195 555625622 /nfs/dbraw/zinc/62/56/22/555625622.db2.gz WKGAZQMEDQZBFK-HHHXNRCGSA-N 0 0 425.484 5.057 50 0 IKAARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000001080761 555625889 /nfs/dbraw/zinc/62/58/89/555625889.db2.gz RMNYILGLPJMBOM-HSZRJFAPSA-N 0 0 426.545 5.686 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F ZINC000001081017 555625909 /nfs/dbraw/zinc/62/59/09/555625909.db2.gz CWXPSJJDBKMFDZ-UHFFFAOYSA-N 0 0 434.858 5.169 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3F)sc2c1 ZINC000001085612 555626656 /nfs/dbraw/zinc/62/66/56/555626656.db2.gz WKAALPDEGQBWAW-UHFFFAOYSA-N 0 0 441.347 5.327 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000001092494 555627562 /nfs/dbraw/zinc/62/75/62/555627562.db2.gz BAPOTDZZQQEVJN-FGEXJBCWSA-N 0 0 447.456 5.666 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1)c1cccs1 ZINC000001095238 555627798 /nfs/dbraw/zinc/62/77/98/555627798.db2.gz BWROLFRRZGYJED-UHFFFAOYSA-N 0 0 428.513 5.832 50 0 IKAARN COc1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1OC ZINC000001094724 555627802 /nfs/dbraw/zinc/62/78/02/555627802.db2.gz WRNAHCKXMHGWEN-UHFFFAOYSA-N 0 0 439.487 5.522 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Oc2ccccc2)cc1)CCCC3=O ZINC000001094975 555627831 /nfs/dbraw/zinc/62/78/31/555627831.db2.gz BPQDKXDMUULBKD-UHFFFAOYSA-N 0 0 429.501 5.442 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)N4CCCCCC4)c(N)c3c(-c3ccccc3)c2C(=O)C1 ZINC000001100346 555628795 /nfs/dbraw/zinc/62/87/95/555628795.db2.gz YBWSUQUBSVUFCM-UHFFFAOYSA-N 0 0 447.604 5.717 50 0 IKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001106041 555629602 /nfs/dbraw/zinc/62/96/02/555629602.db2.gz WQOPXJOCXWBHEQ-UHFFFAOYSA-N 0 0 448.522 5.883 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2ccccc2)nc1SCc1ccccc1 ZINC000001108426 555629869 /nfs/dbraw/zinc/62/98/69/555629869.db2.gz XBRVUOHVGDOTOH-UHFFFAOYSA-N 0 0 441.965 5.128 50 0 IKAARN COc1ccc(/C=C2\CCCC3=C2N=C2SCC(=O)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000001108037 555629879 /nfs/dbraw/zinc/62/98/79/555629879.db2.gz HGEXBZTVUXGNBU-KPUQOTSHSA-N 0 0 432.545 5.212 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000001108805 555630142 /nfs/dbraw/zinc/63/01/42/555630142.db2.gz KLKHDHXXMIYCHZ-NSHDSACASA-N 0 0 436.320 5.108 50 0 IKAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Br)cc1 ZINC000001110260 555631080 /nfs/dbraw/zinc/63/10/80/555631080.db2.gz IRGOVGJXJGUYMP-UHFFFAOYSA-N 0 0 434.399 5.588 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)cc1 ZINC000001112152 555632347 /nfs/dbraw/zinc/63/23/47/555632347.db2.gz YETAHVCSADXPFW-UHFFFAOYSA-N 0 0 445.316 6.119 50 0 IKAARN CCn1c(SCc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)nnc1-c1ccncc1 ZINC000001112334 555632451 /nfs/dbraw/zinc/63/24/51/555632451.db2.gz FJZUEBJWJVUBJQ-UHFFFAOYSA-N 0 0 443.576 5.521 50 0 IKAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccs3)nc3ccccc31)CCCCC2 ZINC000001113795 555633243 /nfs/dbraw/zinc/63/32/43/555633243.db2.gz UCJUSZKAIASVFG-UHFFFAOYSA-N 0 0 447.585 5.645 50 0 IKAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@]2(C)C1=O ZINC000001113745 555633283 /nfs/dbraw/zinc/63/32/83/555633283.db2.gz WNUGRGGQBWNUOU-GLSWWRQESA-N 0 0 429.903 5.135 50 0 IKAARN CCn1c(COc2ccc(Cl)c3cccnc23)nnc1SCC(=O)c1ccccc1 ZINC000001114432 555633424 /nfs/dbraw/zinc/63/34/24/555633424.db2.gz UHODQTOBYYJFEJ-UHFFFAOYSA-N 0 0 438.940 5.054 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001114341 555633521 /nfs/dbraw/zinc/63/35/21/555633521.db2.gz CECPGGOJBCLHTB-UHFFFAOYSA-N 0 0 429.369 5.056 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000001114983 555633727 /nfs/dbraw/zinc/63/37/27/555633727.db2.gz MQIKTEVGFGHYMH-FCHUYYIVSA-N 0 0 431.927 5.239 50 0 IKAARN COc1ccccc1OCc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000001115010 555633738 /nfs/dbraw/zinc/63/37/38/555633738.db2.gz GLJLBSWLDMGYMH-UHFFFAOYSA-N 0 0 448.482 5.792 50 0 IKAARN COc1cc2sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000001116255 555634650 /nfs/dbraw/zinc/63/46/50/555634650.db2.gz KRSOMWMGDLDVOF-MRVPVSSYSA-N 0 0 431.728 5.671 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000001116688 555634678 /nfs/dbraw/zinc/63/46/78/555634678.db2.gz KLCIEOTVKTZIEF-KRWDZBQOSA-N 0 0 444.512 5.168 50 0 IKAARN Cc1ccc2c(Cl)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1 ZINC000001116701 555634987 /nfs/dbraw/zinc/63/49/87/555634987.db2.gz HZTWXBJRHPCLJV-UHFFFAOYSA-N 0 0 436.967 5.129 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccc(OC)cc2)c2ccccc2OC)C(C)=O)cc1 ZINC000001117227 555635004 /nfs/dbraw/zinc/63/50/04/555635004.db2.gz VVISYOCMEMQWMU-RUZDIDTESA-N 0 0 433.548 5.283 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 ZINC000001117373 555635115 /nfs/dbraw/zinc/63/51/15/555635115.db2.gz CETMQGDYDCAXMV-UHFFFAOYSA-N 0 0 436.924 5.287 50 0 IKAARN COC(=O)c1sc2cc(NC(=S)N[C@H]3CCCc4ccccc43)ccc2c1Cl ZINC000001119071 555636107 /nfs/dbraw/zinc/63/61/07/555636107.db2.gz UPGCMEKTIFWGMU-INIZCTEOSA-N 0 0 430.982 5.705 50 0 IKAARN COc1ccc(-c2noc(COc3ccc(C(C)C)cc3Br)n2)cc1OC ZINC000001119119 555636389 /nfs/dbraw/zinc/63/63/89/555636389.db2.gz SEJJWIATNOMTFN-UHFFFAOYSA-N 0 0 433.302 5.219 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000001119428 555636638 /nfs/dbraw/zinc/63/66/38/555636638.db2.gz YGTIZVGLGUUYGA-UHFFFAOYSA-N 0 0 428.879 5.488 50 0 IKAARN Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000001119521 555636689 /nfs/dbraw/zinc/63/66/89/555636689.db2.gz HPKPJPBDJXMRKN-GJZGRUSLSA-N 0 0 439.144 5.076 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000001119740 555636958 /nfs/dbraw/zinc/63/69/58/555636958.db2.gz OEMMTHNNCUXDAT-UHFFFAOYSA-N 0 0 436.920 6.068 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2-c2ccccc2)c1 ZINC000001120525 555637368 /nfs/dbraw/zinc/63/73/68/555637368.db2.gz UHPRDBRVCYOUTC-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)c2)c1 ZINC000001120845 555637677 /nfs/dbraw/zinc/63/76/77/555637677.db2.gz HTQXXHJHHAMJLK-UHFFFAOYSA-N 0 0 448.478 5.840 50 0 IKAARN S=C(NCCc1ccccc1)Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000001121234 555637938 /nfs/dbraw/zinc/63/79/38/555637938.db2.gz OJGAMXUFHAREMH-UHFFFAOYSA-N 0 0 439.799 5.421 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@H](c1ccncc1)Nc1ccccc1-2 ZINC000001121785 555638153 /nfs/dbraw/zinc/63/81/53/555638153.db2.gz DMLKKGLYLJIEIX-HXUWFJFHSA-N 0 0 433.924 5.382 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000001121405 555638225 /nfs/dbraw/zinc/63/82/25/555638225.db2.gz LIVYPXLQEJCFLM-UHFFFAOYSA-N 0 0 440.546 5.172 50 0 IKAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccccc2Sc2ccccc2)s1 ZINC000001122034 555638452 /nfs/dbraw/zinc/63/84/52/555638452.db2.gz MDVBMMXOQNKJAQ-UHFFFAOYSA-N 0 0 428.604 6.057 50 0 IKAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1C ZINC000001122394 555638511 /nfs/dbraw/zinc/63/85/11/555638511.db2.gz BKJGWFKWRWCHHK-UHFFFAOYSA-N 0 0 428.598 5.028 50 0 IKAARN COc1cc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc(OC)c1OC ZINC000001122443 555638559 /nfs/dbraw/zinc/63/85/59/555638559.db2.gz SNRBUGXBZGVRRM-UHFFFAOYSA-N 0 0 446.528 5.755 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)cc1 ZINC000001122740 555638860 /nfs/dbraw/zinc/63/88/60/555638860.db2.gz YTGLGIPOLVMJEH-UHFFFAOYSA-N 0 0 427.426 5.225 50 0 IKAARN Clc1ccccc1CSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 ZINC000001122731 555638869 /nfs/dbraw/zinc/63/88/69/555638869.db2.gz YIUDTAQZCIKVHH-FQEVSTJZSA-N 0 0 433.924 5.382 50 0 IKAARN CC(C)OC(=O)c1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000001123846 555639328 /nfs/dbraw/zinc/63/93/28/555639328.db2.gz KFESODRVDUJQQW-UHFFFAOYSA-N 0 0 426.925 5.185 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3cc(Cl)c(OC)cc3OC)sc2c1 ZINC000001123756 555639342 /nfs/dbraw/zinc/63/93/42/555639342.db2.gz LQISEQHPMZYSBQ-UHFFFAOYSA-N 0 0 438.958 5.096 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2ccccc2c1Br ZINC000001124526 555639965 /nfs/dbraw/zinc/63/99/65/555639965.db2.gz FSYYNVLNDTYLNU-UHFFFAOYSA-N 0 0 434.717 5.590 50 0 IKAARN CCOc1cccc(-c2nnc(SCC(=O)n3c4ccccc4c4c3CCCC4)n2C)c1 ZINC000001124886 555640153 /nfs/dbraw/zinc/64/01/53/555640153.db2.gz NVUIVTPQSJFGRO-UHFFFAOYSA-N 0 0 446.576 5.147 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)ccc4Cl)sc3n2)c1 ZINC000001125810 555640572 /nfs/dbraw/zinc/64/05/72/555640572.db2.gz QXLNZPJUNISINO-UHFFFAOYSA-N 0 0 444.343 6.113 50 0 IKAARN COc1ccc2c(c1OC)C(=O)N(c1ccc(-c3nc4ccc(C)cc4s3)cc1)C2=O ZINC000001125903 555640740 /nfs/dbraw/zinc/64/07/40/555640740.db2.gz QPNYECNXAAFZLB-UHFFFAOYSA-N 0 0 430.485 5.090 50 0 IKAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)c2ccccc12 ZINC000001126529 555641043 /nfs/dbraw/zinc/64/10/43/555641043.db2.gz GPQDXEBYBPPOCS-UHFFFAOYSA-N 0 0 429.339 5.046 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001128017 555642198 /nfs/dbraw/zinc/64/21/98/555642198.db2.gz RUOWHZBBSPXOBC-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000001128232 555642484 /nfs/dbraw/zinc/64/24/84/555642484.db2.gz CAQDNTWYLYCSNJ-UHFFFAOYSA-N 0 0 438.358 5.293 50 0 IKAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 ZINC000001128356 555642551 /nfs/dbraw/zinc/64/25/51/555642551.db2.gz ZPGZFLFWPJAKGK-OAQYLSRUSA-N 0 0 446.528 5.424 50 0 IKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000001128624 555642786 /nfs/dbraw/zinc/64/27/86/555642786.db2.gz YDTDGZXYSWIFNC-UHFFFAOYSA-N 0 0 427.595 5.691 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000001128688 555642809 /nfs/dbraw/zinc/64/28/09/555642809.db2.gz KRDGJRDEXHKSFX-UHFFFAOYSA-N 0 0 429.332 5.458 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000001128878 555643100 /nfs/dbraw/zinc/64/31/00/555643100.db2.gz FEPCVPVLNICGGV-NRFANRHFSA-N 0 0 425.500 5.397 50 0 IKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n21)C[C@@H](C(C)C)OC3 ZINC000001129292 555643332 /nfs/dbraw/zinc/64/33/32/555643332.db2.gz ZHEUFBUXAVQNMV-HNNXBMFYSA-N 0 0 442.635 5.451 50 0 IKAARN Nc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 ZINC000001129379 555643372 /nfs/dbraw/zinc/64/33/72/555643372.db2.gz YZXJZUNGRPPAJH-UHFFFAOYSA-N 0 0 434.952 5.204 50 0 IKAARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000001132022 555645024 /nfs/dbraw/zinc/64/50/24/555645024.db2.gz LNIYVFXMSTYNKM-MHZLTWQESA-N 0 0 431.507 5.131 50 0 IKAARN O=C(Nc1ccccc1C(=O)OCc1ccc(C(=O)Oc2ccccc2)cc1)c1ccco1 ZINC000001132662 555645482 /nfs/dbraw/zinc/64/54/82/555645482.db2.gz OSLDLNXCTFVXIW-UHFFFAOYSA-N 0 0 441.439 5.108 50 0 IKAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 ZINC000001136862 555647188 /nfs/dbraw/zinc/64/71/88/555647188.db2.gz AGTGNCGNCQEJRU-QGZVFWFLSA-N 0 0 438.597 5.372 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(Br)cc2)sc2c1CCCC2 ZINC000001137392 555647781 /nfs/dbraw/zinc/64/77/81/555647781.db2.gz TYNVZJUORYFQNX-UHFFFAOYSA-N 0 0 439.400 5.375 50 0 IKAARN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000001139322 555648838 /nfs/dbraw/zinc/64/88/38/555648838.db2.gz XFHUDLYXKYAUMX-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)c3cc(C)cc(C)c3n2)cc1 ZINC000001140819 555649746 /nfs/dbraw/zinc/64/97/46/555649746.db2.gz WPECYWDPYDRCMK-UHFFFAOYSA-N 0 0 442.515 5.797 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000001140572 555649755 /nfs/dbraw/zinc/64/97/55/555649755.db2.gz KRHDBJIJVAWNMM-UHFFFAOYSA-N 0 0 433.920 5.659 50 0 IKAARN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)NC(c1ccccc1)c1ccccc1 ZINC000001141072 555650045 /nfs/dbraw/zinc/65/00/45/555650045.db2.gz FOIWTMWFLHOUKJ-UHFFFAOYSA-N 0 0 434.952 5.123 50 0 IKAARN CCOc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)c(Br)cc1OC ZINC000001141402 555650067 /nfs/dbraw/zinc/65/00/67/555650067.db2.gz OKJXOLKYQNRXPB-MRXNPFEDSA-N 0 0 426.310 5.484 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000001141135 555650100 /nfs/dbraw/zinc/65/01/00/555650100.db2.gz XSVQBVIUDBNHJD-UHFFFAOYSA-N 0 0 444.560 5.140 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl ZINC000001141730 555650317 /nfs/dbraw/zinc/65/03/17/555650317.db2.gz DRKXSNRMEYXXRH-UHFFFAOYSA-N 0 0 425.316 5.142 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1CC ZINC000001142286 555650712 /nfs/dbraw/zinc/65/07/12/555650712.db2.gz YEIFPCXWNYGASO-UHFFFAOYSA-N 0 0 445.386 5.021 50 0 IKAARN COc1cc(C(=O)n2c3ccccc3nc2SCc2ccc(C)cc2)cc(OC)c1OC ZINC000001143202 555651226 /nfs/dbraw/zinc/65/12/26/555651226.db2.gz QKVKDMCFFLISCP-UHFFFAOYSA-N 0 0 448.544 5.351 50 0 IKAARN COc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001143302 555651555 /nfs/dbraw/zinc/65/15/55/555651555.db2.gz CPZOXYPARIPBOP-UHFFFAOYSA-N 0 0 427.671 5.002 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000001143328 555651558 /nfs/dbraw/zinc/65/15/58/555651558.db2.gz ONPVTPBFQOTJEL-SFHVURJKSA-N 0 0 444.560 5.452 50 0 IKAARN COc1cc(NC(=O)COc2ccc(C(C)C)cc2Br)c(OC)cc1Cl ZINC000001143809 555651785 /nfs/dbraw/zinc/65/17/85/555651785.db2.gz XYCLLVAHHYUORX-UHFFFAOYSA-N 0 0 442.737 5.261 50 0 IKAARN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001143761 555651822 /nfs/dbraw/zinc/65/18/22/555651822.db2.gz QZYXWEASJIOKEI-UHFFFAOYSA-N 0 0 435.380 5.317 50 0 IKAARN CCc1cccc(C)c1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 ZINC000001145101 555652708 /nfs/dbraw/zinc/65/27/08/555652708.db2.gz XCTUCDZIVUNEHH-UHFFFAOYSA-N 0 0 436.577 5.008 50 0 IKAARN CC(C)c1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001145269 555653042 /nfs/dbraw/zinc/65/30/42/555653042.db2.gz VFAMKSBFKWUJPG-UHFFFAOYSA-N 0 0 438.549 5.007 50 0 IKAARN O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001146819 555653785 /nfs/dbraw/zinc/65/37/85/555653785.db2.gz CCPVQFTYBXPTHQ-UHFFFAOYSA-N 0 0 438.980 5.184 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000001147954 555654675 /nfs/dbraw/zinc/65/46/75/555654675.db2.gz RQMYLOYPLPLQDC-UHFFFAOYSA-N 0 0 436.577 5.030 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 ZINC000001148026 555654700 /nfs/dbraw/zinc/65/47/00/555654700.db2.gz ZEHZDXCAWWEUQK-KRWDZBQOSA-N 0 0 438.980 5.703 50 0 IKAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000001148368 555655005 /nfs/dbraw/zinc/65/50/05/555655005.db2.gz VHJPHVDXZPNANS-UHFFFAOYSA-N 0 0 433.346 5.329 50 0 IKAARN COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000001148876 555655270 /nfs/dbraw/zinc/65/52/70/555655270.db2.gz VHYHORULNRMAOL-UHFFFAOYSA-N 0 0 438.911 5.640 50 0 IKAARN COc1ccc(-c2nc(N(C(=O)Cc3ccccc3)c3ccc(OC)cc3)sc2C)cc1 ZINC000001148881 555655280 /nfs/dbraw/zinc/65/52/80/555655280.db2.gz PDBOGMZKFAQOFR-UHFFFAOYSA-N 0 0 444.556 6.043 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000001150237 555656050 /nfs/dbraw/zinc/65/60/50/555656050.db2.gz YWYXTGBOIGIIKS-UHFFFAOYSA-N 0 0 442.274 5.362 50 0 IKAARN COc1cc(-c2nnc(SCc3cc(Cl)cc(Cl)c3)o2)cc(OC)c1OC ZINC000001152397 555656870 /nfs/dbraw/zinc/65/68/70/555656870.db2.gz BDHFWKNXIOZANV-UHFFFAOYSA-N 0 0 427.309 5.362 50 0 IKAARN CCOc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc(Br)c1OCC ZINC000001152201 555656906 /nfs/dbraw/zinc/65/69/06/555656906.db2.gz BKOXOWZFDHMYJZ-GOSISDBHSA-N 0 0 440.337 5.874 50 0 IKAARN Cc1ccc(CN(c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000001152681 555657273 /nfs/dbraw/zinc/65/72/73/555657273.db2.gz DHDMNPMKFIVZQD-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN O=C(Nc1ccccc1Br)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000001152734 555657302 /nfs/dbraw/zinc/65/73/02/555657302.db2.gz YSHCHKBWERUGCW-UHFFFAOYSA-N 0 0 436.284 5.693 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000001153514 555657548 /nfs/dbraw/zinc/65/75/48/555657548.db2.gz XKWZOOQMGJMCEN-UHFFFAOYSA-N 0 0 437.293 5.583 50 0 IKAARN Cc1oc2cc(OCc3cnn(-c4ccccc4)c3)ccc2c(=O)c1-c1ccccc1Cl ZINC000001155227 555658424 /nfs/dbraw/zinc/65/84/24/555658424.db2.gz RDQVGCIMIDQBPF-UHFFFAOYSA-N 0 0 442.902 6.187 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4)ccc3o2)cc1C ZINC000001155804 555658669 /nfs/dbraw/zinc/65/86/69/555658669.db2.gz RRGMQKYYUWYADR-UHFFFAOYSA-N 0 0 431.517 5.004 50 0 IKAARN Cc1nn(C(=O)COc2ccccc2Br)c(C)c1Sc1ccc(C)cc1 ZINC000001156402 555658964 /nfs/dbraw/zinc/65/89/64/555658964.db2.gz DUSBDLIMZIVHFN-UHFFFAOYSA-N 0 0 431.355 5.441 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000001156571 555659302 /nfs/dbraw/zinc/65/93/02/555659302.db2.gz UZJWZAAWMZKYFA-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN O=C(CSc1nnc(NC(=O)c2ccccc2)s1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001156913 555659576 /nfs/dbraw/zinc/65/95/76/555659576.db2.gz DLBQXSAEUHFPMO-UHFFFAOYSA-N 0 0 443.553 5.337 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(I)c1 ZINC000001157696 555659864 /nfs/dbraw/zinc/65/98/64/555659864.db2.gz NMGDYTRVSUUEEK-SECBINFHSA-N 0 0 436.076 5.004 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(I)c1 ZINC000001157695 555659874 /nfs/dbraw/zinc/65/98/74/555659874.db2.gz NMGDYTRVSUUEEK-VIFPVBQESA-N 0 0 436.076 5.004 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001158046 555660140 /nfs/dbraw/zinc/66/01/40/555660140.db2.gz QERVSRXIQBBRMI-UHFFFAOYSA-N 0 0 425.743 5.446 50 0 IKAARN CN(C)c1ccc([C@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000001158587 555660498 /nfs/dbraw/zinc/66/04/98/555660498.db2.gz JAHWLYSLJAKCHE-RUZDIDTESA-N 0 0 440.572 5.380 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OCC)c1OCC ZINC000001158868 555660823 /nfs/dbraw/zinc/66/08/23/555660823.db2.gz JBBWKOFHHZVZDW-UHFFFAOYSA-N 0 0 431.838 5.807 50 0 IKAARN CSc1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000001160436 555661368 /nfs/dbraw/zinc/66/13/68/555661368.db2.gz PQOSKHCGCHJBCY-INIZCTEOSA-N 0 0 447.383 5.248 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000001161021 555661704 /nfs/dbraw/zinc/66/17/04/555661704.db2.gz ILUDLPOGPAXGBK-UHFFFAOYSA-N 0 0 431.517 6.478 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001160984 555661716 /nfs/dbraw/zinc/66/17/16/555661716.db2.gz QQLOMFZRIGLQFP-UHFFFAOYSA-N 0 0 434.923 5.623 50 0 IKAARN Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)CC1=O ZINC000001162530 555662762 /nfs/dbraw/zinc/66/27/62/555662762.db2.gz GVXLVORMUHBBCN-NRFANRHFSA-N 0 0 447.918 5.094 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001163197 555662945 /nfs/dbraw/zinc/66/29/45/555662945.db2.gz XIDGSWDMWQEEHQ-QGZVFWFLSA-N 0 0 446.561 5.139 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001163196 555662988 /nfs/dbraw/zinc/66/29/88/555662988.db2.gz XIDGSWDMWQEEHQ-KRWDZBQOSA-N 0 0 446.561 5.139 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)c1ccccc1C ZINC000001165083 555663544 /nfs/dbraw/zinc/66/35/44/555663544.db2.gz NKDYVHMAMNEFFP-UHFFFAOYSA-N 0 0 448.522 6.039 50 0 IKAARN O=c1oc2ccccc2cc1-c1cn2cc(Cc3cccc(Cl)c3Cl)sc2n1 ZINC000001164363 555663556 /nfs/dbraw/zinc/66/35/56/555663556.db2.gz VEZHBAZYKNVNHC-UHFFFAOYSA-N 0 0 427.312 6.067 50 0 IKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 ZINC000001166979 555664360 /nfs/dbraw/zinc/66/43/60/555664360.db2.gz YIZCWMGGJBGDQN-UHFFFAOYSA-N 0 0 441.318 5.687 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)oc2cc1C ZINC000001167178 555664763 /nfs/dbraw/zinc/66/47/63/555664763.db2.gz XZONXVVPEJBJEW-UHFFFAOYSA-N 0 0 425.282 6.028 50 0 IKAARN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000001167954 555664873 /nfs/dbraw/zinc/66/48/73/555664873.db2.gz ATEJGGNNIRTXLI-VYVDHXHBSA-N 0 0 438.549 5.156 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C ZINC000001168181 555665267 /nfs/dbraw/zinc/66/52/67/555665267.db2.gz XEXCNKLFJAPKOX-UHFFFAOYSA-N 0 0 436.577 5.139 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000001168113 555665297 /nfs/dbraw/zinc/66/52/97/555665297.db2.gz YVFPODHPCJDHEY-UHFFFAOYSA-N 0 0 436.577 5.206 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1Cl)N(C(C)=O)c1ccccc1-2 ZINC000001169065 555665573 /nfs/dbraw/zinc/66/55/73/555665573.db2.gz AEVNCRSCIDBEBK-SFHVURJKSA-N 0 0 433.320 5.011 50 0 IKAARN O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc(Cl)cc1 ZINC000001169882 555665874 /nfs/dbraw/zinc/66/58/74/555665874.db2.gz SLWXJYLHRFLHKY-UHFFFAOYSA-N 0 0 426.950 5.931 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Br)c1 ZINC000001169982 555665897 /nfs/dbraw/zinc/66/58/97/555665897.db2.gz LTFLRHREDHNAHM-UHFFFAOYSA-N 0 0 437.668 5.248 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000001170146 555666138 /nfs/dbraw/zinc/66/61/38/555666138.db2.gz ITXGOMPGCHRTDE-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000001170768 555666467 /nfs/dbraw/zinc/66/64/67/555666467.db2.gz DMIINQQUSNAUCJ-FPMFRTRJSA-N 0 0 447.456 5.450 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 ZINC000001171316 555666756 /nfs/dbraw/zinc/66/67/56/555666756.db2.gz XXLONSFCGXAUJI-UHFFFAOYSA-N 0 0 435.480 5.159 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000001171482 555666978 /nfs/dbraw/zinc/66/69/78/555666978.db2.gz ZIXKQSSHKFNSGB-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CCc1cc2c(cc1OC(C)=O)oc(C(F)(F)F)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000001171775 555667333 /nfs/dbraw/zinc/66/73/33/555667333.db2.gz GDTKOOJMQZRYKU-UHFFFAOYSA-N 0 0 442.393 5.152 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000001171685 555667354 /nfs/dbraw/zinc/66/73/54/555667354.db2.gz GYUBNDGCSIQWPA-GOSISDBHSA-N 0 0 433.320 5.011 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 ZINC000001173207 555668161 /nfs/dbraw/zinc/66/81/61/555668161.db2.gz FVIZSYCCZHRBIF-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN O=C(/C=C/c1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001173674 555668444 /nfs/dbraw/zinc/66/84/44/555668444.db2.gz QEVQKHPVMQOKLR-SFQUDFHCSA-N 0 0 434.561 5.056 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001173932 555668489 /nfs/dbraw/zinc/66/84/89/555668489.db2.gz ZNUVEJIMSNHJJD-UHFFFAOYSA-N 0 0 448.519 5.121 50 0 IKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000001173691 555668491 /nfs/dbraw/zinc/66/84/91/555668491.db2.gz ATCIBIFBZOCDJI-UHFFFAOYSA-N 0 0 445.544 5.717 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1Cl ZINC000001174304 555668895 /nfs/dbraw/zinc/66/88/95/555668895.db2.gz ITQWRVFLEPGISS-UHFFFAOYSA-N 0 0 441.778 5.245 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001175297 555669424 /nfs/dbraw/zinc/66/94/24/555669424.db2.gz PHKMMZUFOQZZFP-UHFFFAOYSA-N 0 0 427.485 5.676 50 0 IKAARN O=C(Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc32)c1)c1ccccc1 ZINC000001175704 555669503 /nfs/dbraw/zinc/66/95/03/555669503.db2.gz KVNGDSMNEWPQSK-UHFFFAOYSA-N 0 0 425.513 5.219 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cc2ccccc2o1 ZINC000001175654 555669506 /nfs/dbraw/zinc/66/95/06/555669506.db2.gz PQEJPHBYFHFIML-UHFFFAOYSA-N 0 0 447.903 6.021 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000001175853 555669714 /nfs/dbraw/zinc/66/97/14/555669714.db2.gz UFVBCJJKAOMCOE-UHFFFAOYSA-N 0 0 431.561 5.363 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cc2ccccc2o1 ZINC000001176320 555669771 /nfs/dbraw/zinc/66/97/71/555669771.db2.gz WZLOKJKJWVBXFV-UHFFFAOYSA-N 0 0 447.903 6.021 50 0 IKAARN COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000001176711 555670021 /nfs/dbraw/zinc/67/00/21/555670021.db2.gz MFLPZJIHZHEYBS-UHFFFAOYSA-N 0 0 445.302 5.272 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cccc3ccccc32)sc2c1CCCC2 ZINC000001176525 555670063 /nfs/dbraw/zinc/67/00/63/555670063.db2.gz WNDLBTWUWCWCNK-UHFFFAOYSA-N 0 0 438.574 5.084 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000001177182 555670296 /nfs/dbraw/zinc/67/02/96/555670296.db2.gz WOJBOBBSWOFBEF-UHFFFAOYSA-N 0 0 427.485 5.676 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000001178138 555670623 /nfs/dbraw/zinc/67/06/23/555670623.db2.gz MDIGEFCGZPGISL-UHFFFAOYSA-N 0 0 441.487 5.011 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000001178840 555670785 /nfs/dbraw/zinc/67/07/85/555670785.db2.gz GLJFNCYLEPNPSB-UHFFFAOYSA-N 0 0 443.553 6.145 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3C)oc2c(C)c1 ZINC000001179729 555671138 /nfs/dbraw/zinc/67/11/38/555671138.db2.gz BXBIVLATLYBQDZ-UHFFFAOYSA-N 0 0 429.545 5.476 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000001179555 555671140 /nfs/dbraw/zinc/67/11/40/555671140.db2.gz RSWOEEIZPDQZKB-SSEXGKCCSA-N 0 0 447.534 5.669 50 0 IKAARN CCN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000001179877 555671164 /nfs/dbraw/zinc/67/11/64/555671164.db2.gz NEZUETDFNPTNJH-BOPFTXTBSA-N 0 0 448.338 5.093 50 0 IKAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C ZINC000001179127 555671215 /nfs/dbraw/zinc/67/12/15/555671215.db2.gz NDYBVKAFVUEACW-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000001180410 555671425 /nfs/dbraw/zinc/67/14/25/555671425.db2.gz NBBFLIRHGXDZLZ-UHFFFAOYSA-N 0 0 435.936 5.512 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000001180721 555671678 /nfs/dbraw/zinc/67/16/78/555671678.db2.gz KJGAZSBMMFZJSX-LFYBBSHMSA-N 0 0 441.965 5.180 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)COc4ccccc4)c3)oc2c1 ZINC000001181031 555671950 /nfs/dbraw/zinc/67/19/50/555671950.db2.gz WGTWAVNAMNMXAV-UHFFFAOYSA-N 0 0 431.517 5.004 50 0 IKAARN Cc1c(NC(=S)NC(=O)Cc2ccccc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001181413 555671957 /nfs/dbraw/zinc/67/19/57/555671957.db2.gz HCDBPUGUSGSRDF-UHFFFAOYSA-N 0 0 435.936 5.512 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)COc1ccccc1 ZINC000001181362 555671970 /nfs/dbraw/zinc/67/19/70/555671970.db2.gz JYHSFMSLDMWXRX-UHFFFAOYSA-N 0 0 433.558 5.164 50 0 IKAARN CCc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000001181860 555672181 /nfs/dbraw/zinc/67/21/81/555672181.db2.gz XDBNKSWVFHXRJL-UHFFFAOYSA-N 0 0 436.577 5.206 50 0 IKAARN O=C(/C=C/c1ccco1)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000001182670 555672494 /nfs/dbraw/zinc/67/24/94/555672494.db2.gz GYBBEKUJDGMGHT-CSKARUKUSA-N 0 0 439.949 5.736 50 0 IKAARN Cc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000001182387 555672498 /nfs/dbraw/zinc/67/24/98/555672498.db2.gz HDGONPKMNAEIIH-UHFFFAOYSA-N 0 0 433.291 5.473 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(I)cc1 ZINC000001183242 555672847 /nfs/dbraw/zinc/67/28/47/555672847.db2.gz DSQDLNSKRFQPEZ-UHFFFAOYSA-N 0 0 440.693 5.320 50 0 IKAARN CC(=O)c1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 ZINC000001184569 555673420 /nfs/dbraw/zinc/67/34/20/555673420.db2.gz CYEXKODCYBRWQO-UHFFFAOYSA-N 0 0 441.306 5.625 50 0 IKAARN COc1cccc2cc(-c3csc(Nc4ccccc4Br)n3)c(=O)oc21 ZINC000001184503 555673439 /nfs/dbraw/zinc/67/34/39/555673439.db2.gz FIYQWZFXYHUBTP-UHFFFAOYSA-N 0 0 429.295 5.431 50 0 IKAARN c1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc4c(c2)OCO4)Nc2ccccc2-3)cc1 ZINC000001184944 555673676 /nfs/dbraw/zinc/67/36/76/555673676.db2.gz VQCNCZNFZABMHI-QFIPXVFZSA-N 0 0 442.500 5.063 50 0 IKAARN COc1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000001185272 555673744 /nfs/dbraw/zinc/67/37/44/555673744.db2.gz ISGBMWMDEMPKGK-UHFFFAOYSA-N 0 0 434.908 5.550 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000001185151 555673762 /nfs/dbraw/zinc/67/37/62/555673762.db2.gz KZTGFOJYNCBTJD-UHFFFAOYSA-N 0 0 441.712 6.092 50 0 IKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)o1 ZINC000001185462 555673910 /nfs/dbraw/zinc/67/39/10/555673910.db2.gz SCIXBUPPMFKWTM-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1)c1ccccc1 ZINC000001186454 555674328 /nfs/dbraw/zinc/67/43/28/555674328.db2.gz JUNFTNUYOSFLPO-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000001186159 555674365 /nfs/dbraw/zinc/67/43/65/555674365.db2.gz YSPGRSBNZQLXFR-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000001186938 555674597 /nfs/dbraw/zinc/67/45/97/555674597.db2.gz HPWQIGUKXISSPP-ZDUSSCGKSA-N 0 0 425.941 5.426 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1Br ZINC000001187361 555674995 /nfs/dbraw/zinc/67/49/95/555674995.db2.gz XPEFCIBUHJGWJR-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1-c1ccccc1)C1c3ccccc3C2c2ccccc21 ZINC000001191202 555675757 /nfs/dbraw/zinc/67/57/57/555675757.db2.gz OEPPHIJRYCFPFY-PAIGMYNKSA-N 0 0 427.503 5.750 50 0 IKAARN CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccccc1 ZINC000001193426 555676127 /nfs/dbraw/zinc/67/61/27/555676127.db2.gz KNCJJOZBUVDEBU-UHFFFAOYSA-N 0 0 441.483 5.345 50 0 IKAARN Cc1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001193983 555676351 /nfs/dbraw/zinc/67/63/51/555676351.db2.gz UBXCRAYOFGWPRV-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001194231 555676400 /nfs/dbraw/zinc/67/64/00/555676400.db2.gz OJIYUOWFADDNNT-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001197795 555677672 /nfs/dbraw/zinc/67/76/72/555677672.db2.gz SCXSXGOVMOWKDE-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000001198668 555677930 /nfs/dbraw/zinc/67/79/30/555677930.db2.gz RRZROTBVGOSMHM-UHFFFAOYSA-N 0 0 432.789 5.026 50 0 IKAARN NC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000001200878 555678499 /nfs/dbraw/zinc/67/84/99/555678499.db2.gz ZEUZYNAQLVNPQU-UHFFFAOYSA-N 0 0 446.304 5.016 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000001204038 555679664 /nfs/dbraw/zinc/67/96/64/555679664.db2.gz BGZUGTHRIXMJKK-UHFFFAOYSA-N 0 0 440.303 5.279 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000001204137 555679677 /nfs/dbraw/zinc/67/96/77/555679677.db2.gz XEYDBMUSGKZFBB-UHFFFAOYSA-N 0 0 441.196 5.567 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001204309 555680008 /nfs/dbraw/zinc/68/00/08/555680008.db2.gz VCPYHFNLYQUTFZ-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001204744 555680017 /nfs/dbraw/zinc/68/00/17/555680017.db2.gz QQGVUXRERMVBJZ-UHFFFAOYSA-N 0 0 448.519 5.121 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(Br)cc1 ZINC000001207440 555680932 /nfs/dbraw/zinc/68/09/32/555680932.db2.gz UHZQGUAELGNVOF-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1Cl ZINC000001207283 555680937 /nfs/dbraw/zinc/68/09/37/555680937.db2.gz HWPLGYNEUOLPHS-UHFFFAOYSA-N 0 0 429.259 5.768 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)c1ccco1 ZINC000001208103 555681249 /nfs/dbraw/zinc/68/12/49/555681249.db2.gz HQZIYZOYUNLAKA-UHFFFAOYSA-N 0 0 441.270 6.351 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cc(Br)ccc1Cl ZINC000001209799 555681812 /nfs/dbraw/zinc/68/18/12/555681812.db2.gz XOEWENJUJROPAT-UHFFFAOYSA-N 0 0 443.684 5.869 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000001209879 555681908 /nfs/dbraw/zinc/68/19/08/555681908.db2.gz UEUDADJKFRVYFI-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000001210093 555681975 /nfs/dbraw/zinc/68/19/75/555681975.db2.gz DEJZFZTWNIXHAY-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1-c1nc2ncccc2o1 ZINC000001212201 555682467 /nfs/dbraw/zinc/68/24/67/555682467.db2.gz RHAVCKQGQKBKTH-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCCC3)cc1 ZINC000001212519 555682475 /nfs/dbraw/zinc/68/24/75/555682475.db2.gz NICOBMZMLFLASZ-UHFFFAOYSA-N 0 0 438.524 5.669 50 0 IKAARN COc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001212137 555682491 /nfs/dbraw/zinc/68/24/91/555682491.db2.gz HHNIASJQTHCCPV-LTGZKZEYSA-N 0 0 434.561 5.464 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc(OCC)c1OCC ZINC000001211741 555682513 /nfs/dbraw/zinc/68/25/13/555682513.db2.gz NCAFXYTYRFZNAV-UHFFFAOYSA-N 0 0 448.519 5.387 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CC[C@H](C)C3)cc1 ZINC000001212185 555682532 /nfs/dbraw/zinc/68/25/32/555682532.db2.gz HBNFPSYOMQNHIA-AWEZNQCLSA-N 0 0 438.524 5.525 50 0 IKAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Nc2ccccc2)cc1 ZINC000001211663 555682543 /nfs/dbraw/zinc/68/25/43/555682543.db2.gz WYFBVWHWERSUEH-UHFFFAOYSA-N 0 0 431.717 5.864 50 0 IKAARN O=C1N=C2Nc3ccccc3NC(c3ccccc3)=C2[C@@H](c2ccc(OC(F)F)cc2)N1 ZINC000001213484 555683060 /nfs/dbraw/zinc/68/30/60/555683060.db2.gz IANTYBHTOJEEMM-OAQYLSRUSA-N 0 0 432.430 5.209 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)cc3N2)cc1 ZINC000001214240 555683383 /nfs/dbraw/zinc/68/33/83/555683383.db2.gz WLKAGXRBMXBQOS-WMZOPIPTSA-N 0 0 436.384 5.382 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000001215312 555683607 /nfs/dbraw/zinc/68/36/07/555683607.db2.gz MLGHDFPKXLEFPI-UHFFFAOYSA-N 0 0 440.952 5.794 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000001214959 555683623 /nfs/dbraw/zinc/68/36/23/555683623.db2.gz XYCPDAQFVKWUFK-INIZCTEOSA-N 0 0 434.561 5.776 50 0 IKAARN O=C(Nc1ccccc1Cl)c1c2c(sc1NC(=O)C(Cl)(Cl)Cl)CCC2 ZINC000001216596 555684201 /nfs/dbraw/zinc/68/42/01/555684201.db2.gz VTMKILNKRGEQRM-UHFFFAOYSA-N 0 0 438.163 5.451 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2)c1 ZINC000001216623 555684225 /nfs/dbraw/zinc/68/42/25/555684225.db2.gz PNPWSBQYXKGWGE-UHFFFAOYSA-N 0 0 439.309 5.027 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(Br)o1 ZINC000001216663 555684300 /nfs/dbraw/zinc/68/43/00/555684300.db2.gz WFKFEXMVIJYQRK-UHFFFAOYSA-N 0 0 433.714 6.225 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2Cl)c1 ZINC000001218139 555684806 /nfs/dbraw/zinc/68/48/06/555684806.db2.gz MRBNAKBWYONWAF-UHFFFAOYSA-N 0 0 443.712 5.394 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1Cl ZINC000001218461 555684844 /nfs/dbraw/zinc/68/48/44/555684844.db2.gz ZTVQWFUWLMOSNL-UHFFFAOYSA-N 0 0 436.076 5.249 50 0 IKAARN Cc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000001219007 555685108 /nfs/dbraw/zinc/68/51/08/555685108.db2.gz XZENXKZMLZSPMQ-UHFFFAOYSA-N 0 0 443.728 5.916 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000001220411 555685710 /nfs/dbraw/zinc/68/57/10/555685710.db2.gz RZGWLTPOANPQGL-UHFFFAOYSA-N 0 0 427.291 5.297 50 0 IKAARN Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001220623 555685724 /nfs/dbraw/zinc/68/57/24/555685724.db2.gz OJDXQYJIPBJKGA-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000001225937 555686170 /nfs/dbraw/zinc/68/61/70/555686170.db2.gz FJFADLXKPKKGLD-NFJKTXFASA-N 0 0 444.328 5.020 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1I ZINC000001228933 555686250 /nfs/dbraw/zinc/68/62/50/555686250.db2.gz XYPRFBQTCVQBEK-UHFFFAOYSA-N 0 0 440.240 5.352 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000001253607 555687800 /nfs/dbraw/zinc/68/78/00/555687800.db2.gz OKRBBNZLIBKFPI-UHFFFAOYSA-N 0 0 449.963 5.332 50 0 IKAARN Cc1ccc(NC(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2ccccc2)cc1 ZINC000001250455 555687804 /nfs/dbraw/zinc/68/78/04/555687804.db2.gz GYNAMFQIGQXKGG-QNGOZBTKSA-N 0 0 435.321 5.167 50 0 IKAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc2ccccc21 ZINC000001268695 555688702 /nfs/dbraw/zinc/68/87/02/555688702.db2.gz GIJVIJOCFSXNQD-UHFFFAOYSA-N 0 0 441.556 5.116 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1ccccc1 ZINC000001282916 555689064 /nfs/dbraw/zinc/68/90/64/555689064.db2.gz WPMVRLFCYFJDLS-LJQANCHMSA-N 0 0 440.956 5.076 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1CCc1ccccc1)Nc1ccc(F)cc1 ZINC000001302003 555689364 /nfs/dbraw/zinc/68/93/64/555689364.db2.gz JOEGWYSWPNPPAL-UHFFFAOYSA-N 0 0 438.553 5.119 50 0 IKAARN CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC ZINC000001306058 555689667 /nfs/dbraw/zinc/68/96/67/555689667.db2.gz ZLIUGBVTSLZJQR-HSZRJFAPSA-N 0 0 429.545 5.690 50 0 IKAARN Cn1cccc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 ZINC000001409663 555694380 /nfs/dbraw/zinc/69/43/80/555694380.db2.gz LDTNQPPHUKXYCP-HXUWFJFHSA-N 0 0 435.940 5.326 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1)c1cccs1 ZINC000001412546 555694641 /nfs/dbraw/zinc/69/46/41/555694641.db2.gz LAFLFJJVUWNAHR-UHFFFAOYSA-N 0 0 428.513 5.832 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 ZINC000001413881 555694880 /nfs/dbraw/zinc/69/48/80/555694880.db2.gz SUIPCTDBBYFJJH-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccc(Cl)c1 ZINC000001413916 555694936 /nfs/dbraw/zinc/69/49/36/555694936.db2.gz SWXFCKBBWHUPBJ-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5cccnc5o4)ccc3C)o2)cc1Cl ZINC000001418730 555695311 /nfs/dbraw/zinc/69/53/11/555695311.db2.gz LHFPHCMSEGSGSJ-UHFFFAOYSA-N 0 0 443.890 6.672 50 0 IKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001431969 555696554 /nfs/dbraw/zinc/69/65/54/555696554.db2.gz NMSXPXMGVJMTHT-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3C)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000001439879 555697323 /nfs/dbraw/zinc/69/73/23/555697323.db2.gz FFYNZUVUALAQAO-DQEYMECFSA-N 0 0 445.515 5.106 50 0 IKAARN COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000001439864 555697369 /nfs/dbraw/zinc/69/73/69/555697369.db2.gz JDUYQSHHONGQLF-RPWUZVMVSA-N 0 0 437.923 5.510 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000001439877 555697452 /nfs/dbraw/zinc/69/74/52/555697452.db2.gz FFYNZUVUALAQAO-LOSJGSFVSA-N 0 0 445.515 5.106 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2OC)cc1 ZINC000001447729 555699604 /nfs/dbraw/zinc/69/96/04/555699604.db2.gz VKTIAOWACDOMDS-UHFFFAOYSA-N 0 0 436.515 5.717 50 0 IKAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(C(C)C)cc1 ZINC000001457740 555700292 /nfs/dbraw/zinc/70/02/92/555700292.db2.gz BVTNZPXJNDGKCN-UHFFFAOYSA-N 0 0 439.939 5.177 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCc3ccco3)cc3cc(OC)c(OC)cc32)cc1 ZINC000001464601 555700824 /nfs/dbraw/zinc/70/08/24/555700824.db2.gz VLUJXNXBVDUSGL-UHFFFAOYSA-N 0 0 431.488 5.446 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2-c2ccncc2)cc1 ZINC000001474830 555701593 /nfs/dbraw/zinc/70/15/93/555701593.db2.gz JZKGIMSWHCIZRI-UHFFFAOYSA-N 0 0 443.576 5.492 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1 ZINC000001474815 555701615 /nfs/dbraw/zinc/70/16/15/555701615.db2.gz NCYVXHRGAPXXSH-UHFFFAOYSA-N 0 0 445.635 5.441 50 0 IKAARN Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001501375 555702216 /nfs/dbraw/zinc/70/22/16/555702216.db2.gz FUMCGWZCKDJTCK-UHFFFAOYSA-N 0 0 427.595 5.343 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000001516050 555702538 /nfs/dbraw/zinc/70/25/38/555702538.db2.gz XPJALLFHQSUKPM-UHFFFAOYSA-N 0 0 432.789 5.026 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000001516052 555702559 /nfs/dbraw/zinc/70/25/59/555702559.db2.gz UKBJZHUPHQUVBW-UHFFFAOYSA-N 0 0 444.844 5.341 50 0 IKAARN CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc(Cl)c4Cl)cc3n2)cc1 ZINC000001517052 555702562 /nfs/dbraw/zinc/70/25/62/555702562.db2.gz QSQVQWGIWFZTJF-UHFFFAOYSA-N 0 0 441.318 5.663 50 0 IKAARN Cc1cc(Nc2nnc(-c3cccnc3Oc3ccccc3)s2)ccc1Br ZINC000001573990 555703773 /nfs/dbraw/zinc/70/37/73/555703773.db2.gz OBUUYWXARPXDPT-UHFFFAOYSA-N 0 0 439.338 6.207 50 0 IKAARN Oc1ccc2cc(Br)ccc2c1-c1c(O)ccc2cc(Br)ccc21 ZINC000001700183 555709975 /nfs/dbraw/zinc/70/99/75/555709975.db2.gz OORIFUHRGQKYEV-UHFFFAOYSA-N 0 0 444.122 6.596 50 0 IKAARN Cc1cc(C)cc(Oc2coc3cc(O[C@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 ZINC000001748242 555712054 /nfs/dbraw/zinc/71/20/54/555712054.db2.gz XOYHPVOXHZQUQZ-GOSISDBHSA-N 0 0 436.504 5.845 50 0 IKAARN Cc1cc(C)cc(Oc2coc3cc(O[C@@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 ZINC000001748241 555712101 /nfs/dbraw/zinc/71/21/01/555712101.db2.gz XOYHPVOXHZQUQZ-SFHVURJKSA-N 0 0 436.504 5.845 50 0 IKAARN O=c1c2c(nc(SCc3ccccc3)n1C1CCCC1)-c1ccccc1CC21CCCC1 ZINC000001763632 555712685 /nfs/dbraw/zinc/71/26/85/555712685.db2.gz IHCPZDHJNYHNGA-UHFFFAOYSA-N 0 0 442.628 6.686 50 0 biogenic IKAARN COC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1cccc3ccccc31)c2=O ZINC000001770075 555713034 /nfs/dbraw/zinc/71/30/34/555713034.db2.gz NYXNIDHQYRGVBN-ZDUSSCGKSA-N 0 0 442.389 5.572 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)cc1 ZINC000001768325 555713080 /nfs/dbraw/zinc/71/30/80/555713080.db2.gz JMRQXQQJYDNZTE-UHFFFAOYSA-N 0 0 430.323 5.607 50 0 IKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1cccc3ccccc31)c2=O ZINC000001770085 555713300 /nfs/dbraw/zinc/71/33/00/555713300.db2.gz HYGLKWRJWBNLGG-UHFFFAOYSA-N 0 0 428.362 6.167 50 0 IKAARN CC[C@@H](Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)C(=O)OCc1ccccc1 ZINC000001770200 555713406 /nfs/dbraw/zinc/71/34/06/555713406.db2.gz IVBLZCQYAWWDOW-HSZRJFAPSA-N 0 0 444.483 5.369 50 0 biogenic IKAARN CC[C@H](Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)C(=O)OCc1ccccc1 ZINC000001770198 555713411 /nfs/dbraw/zinc/71/34/11/555713411.db2.gz IVBLZCQYAWWDOW-QHCPKHFHSA-N 0 0 444.483 5.369 50 0 biogenic IKAARN Cc1cccc(C)c1OCc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000001771078 555713418 /nfs/dbraw/zinc/71/34/18/555713418.db2.gz BPQMNHZEWOZEMT-UHFFFAOYSA-N 0 0 446.510 6.400 50 0 IKAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771702 555713427 /nfs/dbraw/zinc/71/34/27/555713427.db2.gz KUAWWFFCXLJTOK-KRWDZBQOSA-N 0 0 430.456 5.583 50 0 IKAARN COc1ccc(Oc2c(=O)c3ccc(OCc4ccccc4)cc3oc2C(F)(F)F)cc1 ZINC000001772217 555713663 /nfs/dbraw/zinc/71/36/63/555713663.db2.gz LTQBEVYVCKAHPL-UHFFFAOYSA-N 0 0 442.389 6.192 50 0 IKAARN Cc1ccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000001773393 555713669 /nfs/dbraw/zinc/71/36/69/555713669.db2.gz MQJUAPTVMYRKOB-UHFFFAOYSA-N 0 0 431.355 5.679 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc4ccccc4c2)c3=O)cc1 ZINC000001772413 555713681 /nfs/dbraw/zinc/71/36/81/555713681.db2.gz CIOZCFHCWJPUCG-UHFFFAOYSA-N 0 0 438.435 5.966 50 0 biogenic IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 ZINC000001773575 555713717 /nfs/dbraw/zinc/71/37/17/555713717.db2.gz FBFYDFMRBORNDR-KRWDZBQOSA-N 0 0 430.595 5.055 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001773573 555713747 /nfs/dbraw/zinc/71/37/47/555713747.db2.gz FBFYDFMRBORNDR-QGZVFWFLSA-N 0 0 430.595 5.055 50 0 IKAARN COc1ccc(Cl)cc1Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773015 555713767 /nfs/dbraw/zinc/71/37/67/555713767.db2.gz CPVQTEHMSCYVJE-UHFFFAOYSA-N 0 0 430.722 7.009 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1 ZINC000001773943 555713972 /nfs/dbraw/zinc/71/39/72/555713972.db2.gz UTWTVTCBYWNARU-UHFFFAOYSA-N 0 0 433.573 6.563 50 0 IKAARN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775136 555714001 /nfs/dbraw/zinc/71/40/01/555714001.db2.gz QLJAJEGLWNTWDS-GOSISDBHSA-N 0 0 430.884 5.576 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br ZINC000001774162 555714073 /nfs/dbraw/zinc/71/40/73/555714073.db2.gz UORAUPILOZCCQC-XVNBXDOJSA-N 0 0 434.639 5.782 50 0 IKAARN c1ccc2c(c1)cccc2CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000001774712 555714099 /nfs/dbraw/zinc/71/40/99/555714099.db2.gz RBYDRAPHDDZYNY-UHFFFAOYSA-N 0 0 430.623 7.429 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)c(C)c1 ZINC000001773941 555714112 /nfs/dbraw/zinc/71/41/12/555714112.db2.gz NKIMYSFCVVGLKZ-GOSISDBHSA-N 0 0 425.594 6.310 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)Nc1cccc(Cl)c1Cl ZINC000001783380 555714860 /nfs/dbraw/zinc/71/48/60/555714860.db2.gz AYYIAFQZGZAPOQ-UHFFFAOYSA-N 0 0 446.384 6.396 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000001789830 555715745 /nfs/dbraw/zinc/71/57/45/555715745.db2.gz LDDHFKHHSOMSPZ-HNNXBMFYSA-N 0 0 435.574 5.876 50 0 IKAARN O=S(=O)(NC[C@H](Nc1cccc2ccccc21)c1ccccc1)c1ccc(Cl)cc1 ZINC000001788906 555715758 /nfs/dbraw/zinc/71/57/58/555715758.db2.gz QJWUWGILRWWTPR-DEOSSOPVSA-N 0 0 436.964 5.625 50 0 IKAARN CCCCOc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000001791098 555716036 /nfs/dbraw/zinc/71/60/36/555716036.db2.gz CRKMMMGNKQDUGI-UHFFFAOYSA-N 0 0 442.537 5.267 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(Cl)cc1Cl)C1=NCCS1 ZINC000001794281 555716328 /nfs/dbraw/zinc/71/63/28/555716328.db2.gz MNUGAHWLWDRRDY-UHFFFAOYSA-N 0 0 448.158 5.686 50 0 IKAARN COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1OC ZINC000001795858 555716332 /nfs/dbraw/zinc/71/63/32/555716332.db2.gz LVZMIAHNYYARKX-SMIHKQSGSA-N 0 0 441.354 6.236 50 0 IKAARN COc1cc([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc(OC)c1OC ZINC000001794258 555716358 /nfs/dbraw/zinc/71/63/58/555716358.db2.gz FLQOZQQLRLNSNT-JOCHJYFZSA-N 0 0 437.473 5.866 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 ZINC000001796041 555716617 /nfs/dbraw/zinc/71/66/17/555716617.db2.gz AMIVHAIFHNGABY-KRWDZBQOSA-N 0 0 426.651 6.868 50 0 IKAARN Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc32)cc1C ZINC000001801824 555716995 /nfs/dbraw/zinc/71/69/95/555716995.db2.gz QGKRGRHSQUHSFK-UHFFFAOYSA-N 0 0 445.522 6.958 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CC[C@H](C)C2 ZINC000001807805 555717556 /nfs/dbraw/zinc/71/75/56/555717556.db2.gz NCHGDZJZOYOWBB-INIZCTEOSA-N 0 0 443.609 5.673 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000001807813 555717778 /nfs/dbraw/zinc/71/77/78/555717778.db2.gz HSLZWKCHHKDEHN-OAHLLOKOSA-N 0 0 429.582 5.365 50 0 IKAARN CC(C)c1nc2sc3c(c2c(=O)n1N)C[C@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000001812426 555718135 /nfs/dbraw/zinc/71/81/35/555718135.db2.gz MHHNOAAPAKEYPH-QUCCMNQESA-N 0 0 433.602 5.415 50 0 IKAARN CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000001815122 555718448 /nfs/dbraw/zinc/71/84/48/555718448.db2.gz GYSIMHAPUDUGFS-JOCHJYFZSA-N 0 0 433.523 5.710 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 ZINC000001818770 555718467 /nfs/dbraw/zinc/71/84/67/555718467.db2.gz NSJIBLKTBZCGPV-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNc1ccccc1C ZINC000001831046 555719122 /nfs/dbraw/zinc/71/91/22/555719122.db2.gz QNHQBSSWBDQOCE-SANMLTNESA-N 0 0 446.594 7.065 50 0 IKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Br)cc1)C(C)(C)N2 ZINC000001837122 555719416 /nfs/dbraw/zinc/71/94/16/555719416.db2.gz VCBICTRYHUUVMK-UZYVYHOESA-N 0 0 433.396 6.141 50 0 IKAARN O=C(OCc1ccc(Br)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000001847859 555720482 /nfs/dbraw/zinc/72/04/82/555720482.db2.gz CSEWKYRGSIXLTR-UHFFFAOYSA-N 0 0 435.277 5.523 50 0 IKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000001851641 555720971 /nfs/dbraw/zinc/72/09/71/555720971.db2.gz ACSVJVQDVKWOOC-FMIVXFBMSA-N 0 0 433.499 5.222 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCc3ccc(Br)cc3)c3ccccc3n2)cc1 ZINC000001858939 555721230 /nfs/dbraw/zinc/72/12/30/555721230.db2.gz KOUHVCYMLWMTSA-UHFFFAOYSA-N 0 0 432.317 6.330 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000001878423 555722259 /nfs/dbraw/zinc/72/22/59/555722259.db2.gz SCAXCWKCOODJHX-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)sc2c1 ZINC000001891524 555722609 /nfs/dbraw/zinc/72/26/09/555722609.db2.gz FDXUUAPCWHTSFL-UHFFFAOYSA-N 0 0 430.573 6.587 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Oc1cccc(Br)c1)C(F)(F)F ZINC000001891302 555722641 /nfs/dbraw/zinc/72/26/41/555722641.db2.gz UFKUKYVTJBITPP-UHFFFAOYSA-N 0 0 428.126 5.761 50 0 IKAARN Cc1nc2c(cc(Oc3nnc(-c4ccc(C)cc4)c4ccccc43)c3ccsc32)s1 ZINC000001895530 555723014 /nfs/dbraw/zinc/72/30/14/555723014.db2.gz PDLATMKMUXTRQE-UHFFFAOYSA-N 0 0 439.565 7.530 50 0 IKAARN COc1cccc(OCCSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c1 ZINC000001895541 555723223 /nfs/dbraw/zinc/72/32/23/555723223.db2.gz IDPFBFUAJJDJMG-UHFFFAOYSA-N 0 0 438.574 5.244 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000001895642 555723241 /nfs/dbraw/zinc/72/32/41/555723241.db2.gz ODAXARQMSKBSIX-NRFANRHFSA-N 0 0 437.586 5.886 50 0 IKAARN CCOC(=O)c1cc(Oc2ncnc3sc(-c4ccccc4)cc32)cc(C(=O)OCC)c1 ZINC000001896167 555723249 /nfs/dbraw/zinc/72/32/49/555723249.db2.gz RJCUEYQWVGGWMX-UHFFFAOYSA-N 0 0 448.500 5.504 50 0 IKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cc(C(=O)OC)oc1C)CCC3 ZINC000001902672 555723499 /nfs/dbraw/zinc/72/34/99/555723499.db2.gz BBGQJPFJAQROJF-UHFFFAOYSA-N 0 0 438.520 5.672 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C)C2 ZINC000001904741 555723826 /nfs/dbraw/zinc/72/38/26/555723826.db2.gz DPJWSTUVOMIBJC-LLVKDONJSA-N 0 0 442.364 5.374 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[C@H](C)C2 ZINC000001904739 555723833 /nfs/dbraw/zinc/72/38/33/555723833.db2.gz DPJWSTUVOMIBJC-NSHDSACASA-N 0 0 442.364 5.374 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(-c2ccccc2)cc1 ZINC000001909005 555724187 /nfs/dbraw/zinc/72/41/87/555724187.db2.gz MUJRHAZEUYOYBV-UHFFFAOYSA-N 0 0 431.586 5.968 50 0 IKAARN CC(C)OC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000001911880 555724452 /nfs/dbraw/zinc/72/44/52/555724452.db2.gz CEKKLOBWPVHSLK-LLVKDONJSA-N 0 0 437.384 5.553 50 0 IKAARN O=c1c2c(-c3ccc(Br)cc3)csc2ncn1Cc1c(F)cccc1Cl ZINC000001911942 555724467 /nfs/dbraw/zinc/72/44/67/555724467.db2.gz RJBKPBLXNCXNFX-UHFFFAOYSA-N 0 0 449.732 5.728 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1 ZINC000001916115 555724653 /nfs/dbraw/zinc/72/46/53/555724653.db2.gz WNDZNEBAFQEECI-UHFFFAOYSA-N 0 0 445.559 6.308 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccc(Cl)cc1 ZINC000001927130 555725434 /nfs/dbraw/zinc/72/54/34/555725434.db2.gz AXQVIGKSGKZIGK-UHFFFAOYSA-N 0 0 431.966 5.976 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 ZINC000001940227 555725663 /nfs/dbraw/zinc/72/56/63/555725663.db2.gz FLCJIRPEVLQBGX-TZMCWYRMSA-N 0 0 435.973 5.417 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(Br)c1 ZINC000001946679 555726346 /nfs/dbraw/zinc/72/63/46/555726346.db2.gz QGTGBAAUIKLCLP-UHFFFAOYSA-N 0 0 430.323 5.607 50 0 IKAARN CC(C)=CC(=O)N1CCN(C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022631091 555726929 /nfs/dbraw/zinc/72/69/29/555726929.db2.gz MJKCJJSWGRNRQG-DEOSSOPVSA-N 0 0 426.988 5.017 50 0 IKAARN FC(F)(F)c1cccc(Nc2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000002025654 555727636 /nfs/dbraw/zinc/72/76/36/555727636.db2.gz FOQJAGNDQYWIRF-UHFFFAOYSA-N 0 0 448.370 7.155 50 0 IKAARN BrC(=C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002028813 555727887 /nfs/dbraw/zinc/72/78/87/555727887.db2.gz IJBFZBIRKHXQBQ-UHFFFAOYSA-N 0 0 425.369 7.673 50 0 IKAARN Brc1cccc(-c2nc3cccnc3nc2-c2cccc(Br)c2)c1 ZINC000002029439 555728038 /nfs/dbraw/zinc/72/80/38/555728038.db2.gz ZFZKEGLNGILSRG-UHFFFAOYSA-N 0 0 441.126 5.884 50 0 IKAARN CCCCCCOc1ccc2cc(C(=O)Cc3ccc(Br)cc3)ccc2c1 ZINC000002049232 555728388 /nfs/dbraw/zinc/72/83/88/555728388.db2.gz QAMNPSCANKMLNS-UHFFFAOYSA-N 0 0 425.366 6.987 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002050830 555729002 /nfs/dbraw/zinc/72/90/02/555729002.db2.gz WTSANSOXDFYRGC-UHFFFAOYSA-N 0 0 444.943 7.437 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc12 ZINC000002052022 555729208 /nfs/dbraw/zinc/72/92/08/555729208.db2.gz MVARJEBZHGWCJG-UHFFFAOYSA-N 0 0 449.337 6.960 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 ZINC000002052142 555729255 /nfs/dbraw/zinc/72/92/55/555729255.db2.gz ISVIRELRRUHTIX-UHFFFAOYSA-N 0 0 439.537 5.087 50 0 IKAARN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C ZINC000002052473 555729570 /nfs/dbraw/zinc/72/95/70/555729570.db2.gz MPDOPECZMBYVHL-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc2ccccc2c1 ZINC000002053479 555729620 /nfs/dbraw/zinc/72/96/20/555729620.db2.gz AQYKJPDUVORJKN-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000002053451 555729623 /nfs/dbraw/zinc/72/96/23/555729623.db2.gz LYCNQMPGSRAFSQ-LBPRGKRZSA-N 0 0 436.044 5.490 50 0 IKAARN Cc1ccccc1[C@@H]1c2ccccc2OC(c2cccs2)=C1C=C1SC(=S)NC1=O ZINC000002054395 555729819 /nfs/dbraw/zinc/72/98/19/555729819.db2.gz RWBUMFPLCDRAEN-NNVROAHOSA-N 0 0 447.606 6.864 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002054886 555730029 /nfs/dbraw/zinc/73/00/29/555730029.db2.gz MIYQLUOBSXOMEJ-UNOMPAQXSA-N 0 0 441.911 5.306 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)cc1 ZINC000002054950 555730031 /nfs/dbraw/zinc/73/00/31/555730031.db2.gz IDSGSEPEHNMAIF-OAHLLOKOSA-N 0 0 425.665 5.552 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(Cl)c(Cl)c3)sc1C(C)(C)N2 ZINC000002055965 555730598 /nfs/dbraw/zinc/73/05/98/555730598.db2.gz YNHOWDDZCMXVEP-UHFFFAOYSA-N 0 0 437.417 7.301 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000002056927 555730873 /nfs/dbraw/zinc/73/08/73/555730873.db2.gz GEJGLLTUTPUART-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(Br)c1)Nc1ccccc1-2 ZINC000002056758 555730910 /nfs/dbraw/zinc/73/09/10/555730910.db2.gz YRIDBGQOEVFWGX-GOSISDBHSA-N 0 0 443.370 5.696 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccc(Br)c1 ZINC000002056941 555730933 /nfs/dbraw/zinc/73/09/33/555730933.db2.gz FWEVVXQSYSXZBL-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1 ZINC000002058211 555731051 /nfs/dbraw/zinc/73/10/51/555731051.db2.gz HIRUBROGKCRHPY-UHFFFAOYSA-N 0 0 428.576 5.788 50 0 IKAARN CCOc1ccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)cc1 ZINC000002058624 555731090 /nfs/dbraw/zinc/73/10/90/555731090.db2.gz WCHGPWKZKRYLSO-UHFFFAOYSA-N 0 0 448.588 5.994 50 0 IKAARN O[C@@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2nc1Cc1ccccc1 ZINC000002059418 555731426 /nfs/dbraw/zinc/73/14/26/555731426.db2.gz BCGHHUZEGHFWTE-QFIPXVFZSA-N 0 0 431.539 5.796 50 0 IKAARN Cc1cc2c(cc1C)CSC(c1cc(Br)c3ccccc3c1O)SC2 ZINC000002060213 555731596 /nfs/dbraw/zinc/73/15/96/555731596.db2.gz DCMSIPGTKLRNCS-UHFFFAOYSA-N 0 0 431.420 7.104 50 0 IKAARN Cc1c2c(n(C3CCCCCC3)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 ZINC000002060379 555731662 /nfs/dbraw/zinc/73/16/62/555731662.db2.gz MNQJCTOHTGSXJR-WJOKGBTCSA-N 0 0 433.595 8.508 50 0 IKAARN CCOC(=O)c1ccc(-n2sc3c(c2=S)-c2cc(OCC)ccc2NC3(C)C)cc1 ZINC000002060916 555731944 /nfs/dbraw/zinc/73/19/44/555731944.db2.gz WXMIQZKRYXZGMO-UHFFFAOYSA-N 0 0 440.590 6.171 50 0 IKAARN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(CC)cc1 ZINC000002061264 555731968 /nfs/dbraw/zinc/73/19/68/555731968.db2.gz HNZQDLCCJXQRJF-UHFFFAOYSA-N 0 0 427.522 5.028 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000002060997 555732064 /nfs/dbraw/zinc/73/20/64/555732064.db2.gz IYIBCSPYVKFRKU-XKZIYDEJSA-N 0 0 431.463 5.456 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1Br)Nc1ccccc1-2 ZINC000002062223 555732279 /nfs/dbraw/zinc/73/22/79/555732279.db2.gz XZQPBBJDNKRQJT-GOSISDBHSA-N 0 0 443.370 5.696 50 0 IKAARN O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCCC2 ZINC000002062344 555732296 /nfs/dbraw/zinc/73/22/96/555732296.db2.gz FPQAOVBKTWFKRI-UHFFFAOYSA-N 0 0 438.980 6.104 50 0 IKAARN Cc1cc2nc3s/c(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)c(=O)n3c2cc1C ZINC000002062493 555732498 /nfs/dbraw/zinc/73/24/98/555732498.db2.gz BFWZKQIINRVLMG-JAIQZWGSSA-N 0 0 440.446 5.353 50 0 IKAARN COc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000002066420 555733324 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Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(F)cc2)Nc2ccccc2-3)cc1 ZINC000002094543 555741738 /nfs/dbraw/zinc/74/17/38/555741738.db2.gz SSZCJSOXHRKAHK-QFIPXVFZSA-N 0 0 430.508 5.782 50 0 IKAARN CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000002093784 555741741 /nfs/dbraw/zinc/74/17/41/555741741.db2.gz YPFXPCQWPFZRCQ-UHFFFAOYSA-N 0 0 444.344 6.486 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(F)cc2)Nc2ccccc2-3)cc1 ZINC000002094541 555741773 /nfs/dbraw/zinc/74/17/73/555741773.db2.gz SSZCJSOXHRKAHK-JOCHJYFZSA-N 0 0 430.508 5.782 50 0 IKAARN CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OCC ZINC000002093944 555741783 /nfs/dbraw/zinc/74/17/83/555741783.db2.gz DJQFLMHTLQSCKX-UHFFFAOYSA-N 0 0 425.310 5.318 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)N(C(C)=O)c1ccccc1-2 ZINC000002094936 555741991 /nfs/dbraw/zinc/74/19/91/555741991.db2.gz BAYUNJCOKGDULF-FQEVSTJZSA-N 0 0 426.567 5.245 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)N(C(C)=O)c1ccccc1-2 ZINC000002094933 555741993 /nfs/dbraw/zinc/74/19/93/555741993.db2.gz BAYUNJCOKGDULF-HXUWFJFHSA-N 0 0 426.567 5.245 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)s1 ZINC000002100468 555742323 /nfs/dbraw/zinc/74/23/23/555742323.db2.gz IKDVIDZSMNDCFX-UHFFFAOYSA-N 0 0 434.389 6.220 50 0 IKAARN CCOc1ccc(-c2csc(NC(=O)c3ccccc3OC)c2C(=O)OC(C)C)cc1 ZINC000002101481 555742613 /nfs/dbraw/zinc/74/26/13/555742613.db2.gz IQBBHZMPBLKKJZ-UHFFFAOYSA-N 0 0 439.533 5.640 50 0 IKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002105000 555742917 /nfs/dbraw/zinc/74/29/17/555742917.db2.gz DJQKWFUQOLFMJH-SANMLTNESA-N 0 0 441.600 6.329 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000002105316 555743157 /nfs/dbraw/zinc/74/31/57/555743157.db2.gz JYDLQELROCJBIU-LJQANCHMSA-N 0 0 449.572 5.848 50 0 IKAARN CCCCOc1cccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)c3ccccc3n2)c1 ZINC000002105284 555743179 /nfs/dbraw/zinc/74/31/79/555743179.db2.gz ZGAKQIZNTNVKSF-UHFFFAOYSA-N 0 0 438.527 6.536 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@H](CC)C2 ZINC000002105198 555743228 /nfs/dbraw/zinc/74/32/28/555743228.db2.gz LWZLVXUOCRWAPO-LBPRGKRZSA-N 0 0 448.009 6.560 50 0 IKAARN COc1ccc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC(C)C)cc1 ZINC000002107704 555743490 /nfs/dbraw/zinc/74/34/90/555743490.db2.gz GQPHCEDMVOLHQY-UHFFFAOYSA-N 0 0 437.561 6.166 50 0 IKAARN CCc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 ZINC000002105784 555743534 /nfs/dbraw/zinc/74/35/34/555743534.db2.gz RAEMKNYLNUMZEW-OAQYLSRUSA-N 0 0 436.599 7.154 50 0 IKAARN COC(=O)c1c(NC(=O)c2csc3ccccc23)sc(C)c1-c1ccc(C)cc1C ZINC000002107665 555743547 /nfs/dbraw/zinc/74/35/47/555743547.db2.gz XJYZNCALPOIUMB-UHFFFAOYSA-N 0 0 435.570 6.594 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000002107724 555743809 /nfs/dbraw/zinc/74/38/09/555743809.db2.gz PSWFDLRUKWBJCY-UHFFFAOYSA-N 0 0 448.371 6.848 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccc(C)cc1 ZINC000002107902 555743821 /nfs/dbraw/zinc/74/38/21/555743821.db2.gz CMOQPKKNMWNOOT-UHFFFAOYSA-N 0 0 427.953 6.504 50 0 IKAARN CC[C@H](NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1)c1ccc(C(C)C)cc1 ZINC000002112923 555744378 /nfs/dbraw/zinc/74/43/78/555744378.db2.gz CIQJGECFHROVPP-NRFANRHFSA-N 0 0 446.374 7.170 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(CC(C)C)cc3)c(C)s2)cc1 ZINC000002112515 555744413 /nfs/dbraw/zinc/74/44/13/555744413.db2.gz BQIJLSVNCAKYIH-UHFFFAOYSA-N 0 0 439.606 5.452 50 0 IKAARN Cc1sc(NC(=S)NC(=O)c2ccccc2Cl)nc1-c1ccc(C(C)C)cc1 ZINC000002112588 555744436 /nfs/dbraw/zinc/74/44/36/555744436.db2.gz HAHDJMSCQIONQJ-UHFFFAOYSA-N 0 0 429.998 6.022 50 0 IKAARN CCCc1cc(C(=O)Nc2sc([C@H](C)c3ccccc3)cc2C(=O)OCC)cs1 ZINC000002111425 555744442 /nfs/dbraw/zinc/74/44/42/555744442.db2.gz XOTFCLPAMQARKZ-OAHLLOKOSA-N 0 0 427.591 6.343 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccc(Br)cc1-2 ZINC000002113838 555744689 /nfs/dbraw/zinc/74/46/89/555744689.db2.gz NZUCDVBPUBRGHY-MRXNPFEDSA-N 0 0 449.399 5.758 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C(C)C)c3ccccc3n2)cc1OC ZINC000002115031 555744908 /nfs/dbraw/zinc/74/49/08/555744908.db2.gz AMQDLPMVKNNPET-UHFFFAOYSA-N 0 0 440.543 6.603 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000002117899 555745266 /nfs/dbraw/zinc/74/52/66/555745266.db2.gz RHJZYSXEFHOSGF-UHFFFAOYSA-N 0 0 426.545 5.553 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4C)ccc3Cl)nc2c1 ZINC000002122152 555745637 /nfs/dbraw/zinc/74/56/37/555745637.db2.gz MPUILLRXTNPOSY-UHFFFAOYSA-N 0 0 449.963 6.146 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 ZINC000002122050 555745639 /nfs/dbraw/zinc/74/56/39/555745639.db2.gz FHDBVAAIFOFFSE-UHFFFAOYSA-N 0 0 441.940 5.883 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)nc2c1 ZINC000002126236 555745924 /nfs/dbraw/zinc/74/59/24/555745924.db2.gz FBHOHDSPHXTSJC-UHFFFAOYSA-N 0 0 446.959 7.739 50 0 IKAARN CCCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 ZINC000002127033 555745936 /nfs/dbraw/zinc/74/59/36/555745936.db2.gz VESAEWODFNDDAG-IBGZPJMESA-N 0 0 438.637 5.910 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1C ZINC000002128679 555746275 /nfs/dbraw/zinc/74/62/75/555746275.db2.gz RJXZUYMXQFHOFQ-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002128648 555746312 /nfs/dbraw/zinc/74/63/12/555746312.db2.gz KQIKRXJQNIQZPJ-UHFFFAOYSA-N 0 0 449.963 5.961 50 0 IKAARN CCCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000002132250 555746596 /nfs/dbraw/zinc/74/65/96/555746596.db2.gz DROLOBHUSXWNFG-UHFFFAOYSA-N 0 0 442.309 5.187 50 0 IKAARN O=C(NCCNC(=O)c1sc2ccccc2c1Cl)c1sc2ccccc2c1Cl ZINC000002131883 555746608 /nfs/dbraw/zinc/74/66/08/555746608.db2.gz QLECHZUHLXYYMC-UHFFFAOYSA-N 0 0 449.384 5.583 50 0 IKAARN O=C(Cc1ccccc1)N(CCN(C(=O)Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000002134661 555746937 /nfs/dbraw/zinc/74/69/37/555746937.db2.gz RILHCDHSJYXPLI-UHFFFAOYSA-N 0 0 448.566 5.538 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)cc1 ZINC000002137764 555747580 /nfs/dbraw/zinc/74/75/80/555747580.db2.gz UUKGQAGAUMKZLT-UHFFFAOYSA-N 0 0 434.495 6.813 50 0 IKAARN Fc1ccc(COc2ccccc2CNc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000002138296 555747625 /nfs/dbraw/zinc/74/76/25/555747625.db2.gz ADQFDKPDZDPYSI-UHFFFAOYSA-N 0 0 440.543 7.294 50 0 IKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 ZINC000002139047 555747842 /nfs/dbraw/zinc/74/78/42/555747842.db2.gz RRFARWCUYPAXQV-UHFFFAOYSA-N 0 0 433.508 5.884 50 0 IKAARN CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccccc2OCc2ccc(F)cc2)C1(C)C ZINC000002138539 555747859 /nfs/dbraw/zinc/74/78/59/555747859.db2.gz XQHGIEPSARXFNV-FTJBHMTQSA-N 0 0 433.523 6.510 50 0 IKAARN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccccc2OCc2ccc(F)cc2)C1(C)C ZINC000002138534 555747876 /nfs/dbraw/zinc/74/78/76/555747876.db2.gz XQHGIEPSARXFNV-CLJLJLNGSA-N 0 0 433.523 6.510 50 0 IKAARN Cc1cccc(-c2noc(CN3CCC4(C[C@@H]4c4nnc(-c5cccc(F)c5)o4)CC3)n2)c1 ZINC000071890590 555747903 /nfs/dbraw/zinc/74/79/03/555747903.db2.gz OQBLNLIECCWNLO-HXUWFJFHSA-N 0 0 445.498 5.004 50 0 IKAARN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000002142106 555748206 /nfs/dbraw/zinc/74/82/06/555748206.db2.gz GXMZXHLCHBGIRH-UHFFFAOYSA-N 0 0 443.399 8.045 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1 ZINC000002145072 555748822 /nfs/dbraw/zinc/74/88/22/555748822.db2.gz YWHVQRCXKTYUOA-UHFFFAOYSA-N 0 0 432.523 6.828 50 0 IKAARN CCCC(=O)Nc1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000002145628 555749103 /nfs/dbraw/zinc/74/91/03/555749103.db2.gz QIVLMIFIMMYKAQ-UHFFFAOYSA-N 0 0 426.919 6.409 50 0 IKAARN COC(=O)c1sc(SCCOC(=O)Nc2ccccc2)c2c1CC(C)(C)CC2=O ZINC000002153775 555749944 /nfs/dbraw/zinc/74/99/44/555749944.db2.gz WDUODMIQQLYKCN-UHFFFAOYSA-N 0 0 433.551 5.031 50 0 IKAARN Cc1c(Br)sc2sc(-c3ccnc(SCc4ccccc4)n3)c(C)c12 ZINC000002152679 555750009 /nfs/dbraw/zinc/75/00/09/555750009.db2.gz ZXFGXLLHGQFUOY-UHFFFAOYSA-N 0 0 447.448 7.091 50 0 IKAARN O=C(CSc1nc2c(cc(Cl)cc2Cl)s1)Nc1cc(Cl)cc(Cl)c1 ZINC000002156925 555750272 /nfs/dbraw/zinc/75/02/72/555750272.db2.gz KCPSJVWAMPVROU-UHFFFAOYSA-N 0 0 438.188 6.641 50 0 IKAARN CCCCC(=O)c1ccc2c(c1)Cc1cc(CCc3ccc(Br)cc3)ccc1-2 ZINC000002159177 555750662 /nfs/dbraw/zinc/75/06/62/555750662.db2.gz YAPQHLMHQJNNQS-UHFFFAOYSA-N 0 0 433.389 7.178 50 0 IKAARN O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000002161644 555750854 /nfs/dbraw/zinc/75/08/54/555750854.db2.gz ZTFKDEZVCWSZMU-UHFFFAOYSA-N 0 0 426.221 7.057 50 0 IKAARN O=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000002161915 555750872 /nfs/dbraw/zinc/75/08/72/555750872.db2.gz TYKIHIDRVMEVTC-GRSHGNNSSA-N 0 0 448.302 6.629 50 0 IKAARN O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cc1 ZINC000002163057 555751194 /nfs/dbraw/zinc/75/11/94/555751194.db2.gz JNPBKYSWSJSJNS-UHFFFAOYSA-N 0 0 443.812 6.328 50 0 IKAARN O=C1N[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)Nc2ccccc21 ZINC000002166699 555751430 /nfs/dbraw/zinc/75/14/30/555751430.db2.gz KIKZPBWISDGSMB-HHHXNRCGSA-N 0 0 436.511 5.699 50 0 IKAARN CCCCC(=O)N(c1nc(-c2ccc(OC)cc2)c(CCC)s1)c1ccc(OC)cc1 ZINC000002170736 555751857 /nfs/dbraw/zinc/75/18/57/555751857.db2.gz ZWCGBADOZFXQFV-UHFFFAOYSA-N 0 0 438.593 6.635 50 0 IKAARN O=C(C[C@H](c1ccccc1Cl)[C@H]1CCCCCCC1=O)c1c(Cl)cccc1Cl ZINC000002171710 555752040 /nfs/dbraw/zinc/75/20/40/555752040.db2.gz PSMANHDZVUVACW-IAGOWNOFSA-N 0 0 437.794 7.543 50 0 IKAARN CCCc1sc(N(C(=O)Cc2ccccc2)c2ccc(C)c(C)c2)nc1-c1ccccc1 ZINC000002170850 555752092 /nfs/dbraw/zinc/75/20/92/555752092.db2.gz ADVUTFWYXWYJIT-UHFFFAOYSA-N 0 0 440.612 7.287 50 0 IKAARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)c1nc3ccccc3nc12 ZINC000002172514 555752104 /nfs/dbraw/zinc/75/21/04/555752104.db2.gz KOVQRPKIMYZUMM-PKTZIBPZSA-N 0 0 425.454 5.616 50 0 IKAARN O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1ccccc1SCc1ccccc1 ZINC000002171941 555752113 /nfs/dbraw/zinc/75/21/13/555752113.db2.gz XPYOXSZGZLUUTK-UHFFFAOYSA-N 0 0 429.566 6.524 50 0 IKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000002177501 555752648 /nfs/dbraw/zinc/75/26/48/555752648.db2.gz NSFFGGGTKOECMM-OVVICAPSSA-N 0 0 446.388 6.567 50 0 IKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002177303 555752653 /nfs/dbraw/zinc/75/26/53/555752653.db2.gz PFRCVDFDQAASQQ-AATYUJHQSA-N 0 0 436.382 7.111 50 0 IKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000002177503 555752662 /nfs/dbraw/zinc/75/26/62/555752662.db2.gz NSFFGGGTKOECMM-WXPCENJTSA-N 0 0 446.388 6.567 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(F)cc2)N1c1ccc(N2CCCC2)cc1 ZINC000002177884 555752709 /nfs/dbraw/zinc/75/27/09/555752709.db2.gz AGERXIFICRQMOZ-HHHXNRCGSA-N 0 0 442.538 5.662 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccc(F)cc2)N1c1ccc(N2CCCC2)cc1 ZINC000002177883 555752809 /nfs/dbraw/zinc/75/28/09/555752809.db2.gz AGERXIFICRQMOZ-MHZLTWQESA-N 0 0 442.538 5.662 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002179134 555753057 /nfs/dbraw/zinc/75/30/57/555753057.db2.gz CSALLLNRQBMAER-UHFFFAOYSA-N 0 0 428.315 6.021 50 0 IKAARN S=C1N=C(c2ccccc2)C[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000002180904 555753716 /nfs/dbraw/zinc/75/37/16/555753716.db2.gz MYSWBDNANZEIID-HSZRJFAPSA-N 0 0 442.975 5.753 50 0 IKAARN COc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)cc1 ZINC000002182012 555753937 /nfs/dbraw/zinc/75/39/37/555753937.db2.gz VPXMMBWKQDSAFS-RWEWTDSWSA-N 0 0 449.304 5.689 50 0 IKAARN O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000002182844 555754236 /nfs/dbraw/zinc/75/42/36/555754236.db2.gz ANVCILZLLNXAGY-CNCHJIQNSA-N 0 0 441.383 6.501 50 0 IKAARN CCOC(=O)CSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002183048 555754299 /nfs/dbraw/zinc/75/42/99/555754299.db2.gz DGRQLPADLUMWGJ-UHFFFAOYSA-N 0 0 438.593 5.049 50 0 biogenic IKAARN Cc1cccc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4-c4ccccc4)nn32)c1 ZINC000002183265 555754663 /nfs/dbraw/zinc/75/46/63/555754663.db2.gz PHOQOJWPIKEANK-UHFFFAOYSA-N 0 0 434.528 5.681 50 0 IKAARN CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000002184814 555754827 /nfs/dbraw/zinc/75/48/27/555754827.db2.gz FHBYBMTVKFCQBR-UHFFFAOYSA-N 0 0 429.538 5.622 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21 ZINC000002184821 555754846 /nfs/dbraw/zinc/75/48/46/555754846.db2.gz XZVAFKCQBGNPFB-UHFFFAOYSA-N 0 0 429.538 5.506 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc34)c2C1 ZINC000002184803 555755006 /nfs/dbraw/zinc/75/50/06/555755006.db2.gz PUBFPGMRGYRKEK-SFHVURJKSA-N 0 0 447.600 6.928 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000002187929 555755827 /nfs/dbraw/zinc/75/58/27/555755827.db2.gz VWMLYCZFWZEQGS-KRWDZBQOSA-N 0 0 429.343 5.306 50 0 IKAARN Fc1ccc(CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1 ZINC000002190291 555756303 /nfs/dbraw/zinc/75/63/03/555756303.db2.gz NDFRSOMQWVJFJD-UHFFFAOYSA-N 0 0 440.341 6.128 50 0 IKAARN CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2S1 ZINC000002194901 555756833 /nfs/dbraw/zinc/75/68/33/555756833.db2.gz YJBPAXNOMNBLQI-IZLXSDGUSA-N 0 0 440.612 6.455 50 0 IKAARN Cc1ccc(NC(=O)Nc2nnc(CSCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002199104 555757164 /nfs/dbraw/zinc/75/71/64/555757164.db2.gz LIFBYOWYZHMNJH-UHFFFAOYSA-N 0 0 439.393 6.231 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 ZINC000002198861 555757169 /nfs/dbraw/zinc/75/71/69/555757169.db2.gz IBHAFBRJWVXJFS-GOSISDBHSA-N 0 0 440.609 5.086 50 0 IKAARN COc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(C)cc32)cc1 ZINC000002199184 555757218 /nfs/dbraw/zinc/75/72/18/555757218.db2.gz JVFFPFKAFKTIJS-UHFFFAOYSA-N 0 0 439.511 5.875 50 0 IKAARN Clc1ccc(OCc2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)c(Cl)c1 ZINC000002210530 555758330 /nfs/dbraw/zinc/75/83/30/555758330.db2.gz HRANWOKJEDYAND-UHFFFAOYSA-N 0 0 446.146 6.045 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002215807 555758648 /nfs/dbraw/zinc/75/86/48/555758648.db2.gz OQULNFYSWYKMFB-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccc(Cl)c1Cl ZINC000002215357 555758674 /nfs/dbraw/zinc/75/86/74/555758674.db2.gz QMQYQJWPWZTMBS-UHFFFAOYSA-N 0 0 435.669 6.846 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1Cl ZINC000002218552 555758994 /nfs/dbraw/zinc/75/89/94/555758994.db2.gz JDZNAUOFDDNTJF-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000002220323 555759280 /nfs/dbraw/zinc/75/92/80/555759280.db2.gz BOXKOMATLGEMJV-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccc(Cl)cc1 ZINC000002219571 555759329 /nfs/dbraw/zinc/75/93/29/555759329.db2.gz BCYQBWMBGJVSIE-UHFFFAOYSA-N 0 0 444.343 5.868 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1ccc(F)cc1 ZINC000002225164 555759592 /nfs/dbraw/zinc/75/95/92/555759592.db2.gz FIKHVFRRXVBIJJ-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN COc1ccc(CSc2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002233125 555760492 /nfs/dbraw/zinc/76/04/92/555760492.db2.gz DQSLFZAQLXYBHZ-UHFFFAOYSA-N 0 0 429.419 6.438 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccc(Cl)c2)cc1 ZINC000002232376 555760556 /nfs/dbraw/zinc/76/05/56/555760556.db2.gz QHCWMHDAOMAFES-UHFFFAOYSA-N 0 0 448.035 7.486 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccc(Cl)c2)cc1 ZINC000002235777 555760898 /nfs/dbraw/zinc/76/08/98/555760898.db2.gz DYECTFDNAYGKDN-UHFFFAOYSA-N 0 0 437.927 6.010 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccc(Cl)c2)cc1 ZINC000002241076 555761417 /nfs/dbraw/zinc/76/14/17/555761417.db2.gz YWNOXLPNEKMMRJ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2C)cc1 ZINC000002242213 555761603 /nfs/dbraw/zinc/76/16/03/555761603.db2.gz YWNNRMGHFNHBNX-UHFFFAOYSA-N 0 0 434.590 5.267 50 0 IKAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000002247357 555761818 /nfs/dbraw/zinc/76/18/18/555761818.db2.gz FDNCQVNUFFBWQC-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1ccccc1Cl ZINC000002253759 555762517 /nfs/dbraw/zinc/76/25/17/555762517.db2.gz NGXMDLYUDFURFW-GOTSBHOMSA-N 0 0 430.870 5.283 50 0 IKAARN Fc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1ccccc1Cl ZINC000002253762 555762572 /nfs/dbraw/zinc/76/25/72/555762572.db2.gz NGXMDLYUDFURFW-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN CC(C)Sc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 ZINC000002254739 555762744 /nfs/dbraw/zinc/76/27/44/555762744.db2.gz SKZXANICXONOEJ-IBGZPJMESA-N 0 0 438.637 5.909 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccc(Cl)c1 ZINC000002254927 555762808 /nfs/dbraw/zinc/76/28/08/555762808.db2.gz UTNBLDXXCANHLP-UHFFFAOYSA-N 0 0 439.949 5.449 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(-c4ccccc4)cc3)sc1C(C)(C)N2 ZINC000002260805 555763481 /nfs/dbraw/zinc/76/34/81/555763481.db2.gz WKQDFNIHGJTPES-UHFFFAOYSA-N 0 0 444.625 7.662 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000002263121 555763752 /nfs/dbraw/zinc/76/37/52/555763752.db2.gz OGCKQFISTQNFFE-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCc4ccc(Br)cc4)c23)cc1 ZINC000002264850 555763792 /nfs/dbraw/zinc/76/37/92/555763792.db2.gz ASSXUGXFLISUBP-UHFFFAOYSA-N 0 0 427.392 6.722 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3ncnc1NC[C@@H]1CCCO1 ZINC000002272793 555764327 /nfs/dbraw/zinc/76/43/27/555764327.db2.gz VGBQUGJXWKFSHG-INIZCTEOSA-N 0 0 446.576 5.349 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000002270589 555764350 /nfs/dbraw/zinc/76/43/50/555764350.db2.gz ZJUYYCNUDDVVTD-MRXNPFEDSA-N 0 0 426.651 6.409 50 0 IKAARN CCCOc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002276920 555764694 /nfs/dbraw/zinc/76/46/94/555764694.db2.gz GAVGLKMTUCJQBT-XMMPIXPASA-N 0 0 442.964 5.917 50 0 IKAARN COc1ccc(Cc2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000002277703 555765038 /nfs/dbraw/zinc/76/50/38/555765038.db2.gz QOXOHTLOWPIAAM-UHFFFAOYSA-N 0 0 432.483 5.804 50 0 IKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1OC ZINC000002287542 555765502 /nfs/dbraw/zinc/76/55/02/555765502.db2.gz DIBLCVODWNLDAR-UHFFFAOYSA-N 0 0 440.546 5.635 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1 ZINC000002285192 555765525 /nfs/dbraw/zinc/76/55/25/555765525.db2.gz OVDRZWZANJLRSP-XSFVSMFZSA-N 0 0 439.433 6.607 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(Cl)cc1Cl)occ(-c1nc(C)cs1)c2=O ZINC000002288184 555765909 /nfs/dbraw/zinc/76/59/09/555765909.db2.gz KOKLDRXHFDZICJ-UHFFFAOYSA-N 0 0 446.355 6.673 50 0 IKAARN COc1ccc([C@@H]2C[C@](C)(c3ccc(OC)cc3OC)Nc3ccccc3N2)c(OC)c1 ZINC000002289059 555765932 /nfs/dbraw/zinc/76/59/32/555765932.db2.gz JWVZTZOXYYWLSE-JYFHCDHNSA-N 0 0 434.536 5.605 50 0 IKAARN CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 ZINC000002295642 555766197 /nfs/dbraw/zinc/76/61/97/555766197.db2.gz CRJNHEWSGJAMEN-QHCPKHFHSA-N 0 0 435.951 5.834 50 0 IKAARN Cc1c(OCC(=O)c2ccc(-c3ccccc3)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002294074 555766229 /nfs/dbraw/zinc/76/62/29/555766229.db2.gz KEEFUNUVTUNMFK-UHFFFAOYSA-N 0 0 446.502 6.697 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 ZINC000002295549 555766260 /nfs/dbraw/zinc/76/62/60/555766260.db2.gz VULPXZGTVYSELM-QHCPKHFHSA-N 0 0 444.622 5.445 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002296775 555766284 /nfs/dbraw/zinc/76/62/84/555766284.db2.gz DGTGWXSSTQSPAY-OAHLLOKOSA-N 0 0 444.622 5.203 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)C1CCCCC1 ZINC000002301968 555766879 /nfs/dbraw/zinc/76/68/79/555766879.db2.gz YOAAQGYVTZAEBG-HZPDHXFCSA-N 0 0 440.897 5.602 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)C1CCCCC1 ZINC000002301967 555766884 /nfs/dbraw/zinc/76/68/84/555766884.db2.gz YOAAQGYVTZAEBG-JKSUJKDBSA-N 0 0 440.897 5.602 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000002301404 555766892 /nfs/dbraw/zinc/76/68/92/555766892.db2.gz PRKFHZPHGRXTPG-UHFFFAOYSA-N 0 0 444.363 5.044 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)C1CCCCC1 ZINC000002301970 555766950 /nfs/dbraw/zinc/76/69/50/555766950.db2.gz YOAAQGYVTZAEBG-CVEARBPZSA-N 0 0 440.897 5.602 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000002308296 555767698 /nfs/dbraw/zinc/76/76/98/555767698.db2.gz HEGYRDWTQXLSHS-UHFFFAOYSA-N 0 0 425.275 5.146 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Br)cc1C ZINC000002312216 555767898 /nfs/dbraw/zinc/76/78/98/555767898.db2.gz KPQUVOPJXJVWSZ-UHFFFAOYSA-N 0 0 440.124 6.280 50 0 IKAARN COc1ccc2nc(SCCOC(=O)Nc3ccc(Cl)c(Cl)c3)nc(C)c2c1 ZINC000002321010 555768309 /nfs/dbraw/zinc/76/83/09/555768309.db2.gz MLPRXLJZRUJSJH-UHFFFAOYSA-N 0 0 438.336 5.594 50 0 IKAARN CCCc1cc2c(cc1OC(C)C)oc(C(F)(F)F)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000002316918 555768311 /nfs/dbraw/zinc/76/83/11/555768311.db2.gz LWMVWOWUWFTWJO-UHFFFAOYSA-N 0 0 448.437 5.990 50 0 IKAARN Clc1cccc(CSc2nc(-c3ccccc3)n(-c3nc4ccccc4s3)n2)c1 ZINC000002321474 555768685 /nfs/dbraw/zinc/76/86/85/555768685.db2.gz WDNOGTQOYCTSOB-UHFFFAOYSA-N 0 0 434.977 6.490 50 0 IKAARN COc1cccc(N=C2C[C@H](c3cccc4ccccc43)N(c3cccc(OC)c3)C2=O)c1 ZINC000002329369 555769335 /nfs/dbraw/zinc/76/93/35/555769335.db2.gz AUCZQOXETGZIKM-HHHXNRCGSA-N 0 0 436.511 5.941 50 0 IKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2cnccn2)cc1 ZINC000002332664 555769558 /nfs/dbraw/zinc/76/95/58/555769558.db2.gz GDJSCWFQTYSSHH-UHFFFAOYSA-N 0 0 428.348 5.632 50 0 IKAARN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000002340745 555770119 /nfs/dbraw/zinc/77/01/19/555770119.db2.gz SVMJKXGZCOKCNQ-UHFFFAOYSA-N 0 0 442.729 7.845 50 0 IKAARN Cc1ccc(NC2=C[C@H](c3cccc4ccccc43)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000002342598 555770136 /nfs/dbraw/zinc/77/01/36/555770136.db2.gz GZJAUAZVSSGULX-GDLZYMKVSA-N 0 0 432.567 7.157 50 0 IKAARN COc1ccc(Cn2c(=O)c3c(nc2SC)-c2ccccc2CC32CCCCC2)cc1 ZINC000002346769 555770757 /nfs/dbraw/zinc/77/07/57/555770757.db2.gz WDPUONYIHSRQHN-UHFFFAOYSA-N 0 0 432.589 5.447 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000002350013 555771029 /nfs/dbraw/zinc/77/10/29/555771029.db2.gz NSYXENNOCDEIGA-UHFFFAOYSA-N 0 0 438.553 5.098 50 0 IKAARN COC(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)cc1 ZINC000002355816 555771430 /nfs/dbraw/zinc/77/14/30/555771430.db2.gz ZPQTWVFZMWXSCB-UHFFFAOYSA-N 0 0 449.557 5.184 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000002354479 555771507 /nfs/dbraw/zinc/77/15/07/555771507.db2.gz DNOCEGSLBAMVAA-BLLLJJGKSA-N 0 0 430.397 5.722 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000002356910 555771711 /nfs/dbraw/zinc/77/17/11/555771711.db2.gz QNFZRWBBYHEBLJ-UHFFFAOYSA-N 0 0 448.617 5.576 50 0 IKAARN O=C(Nc1nnc(CSCc2ccccc2F)s1)Nc1ccc(Cl)cc1Cl ZINC000002359679 555772103 /nfs/dbraw/zinc/77/21/03/555772103.db2.gz XXGBADMGJPMSIR-UHFFFAOYSA-N 0 0 443.356 6.061 50 0 IKAARN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000002364422 555772337 /nfs/dbraw/zinc/77/23/37/555772337.db2.gz AKFLXAFLWDMXMD-UHFFFAOYSA-N 0 0 448.523 5.025 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000002363321 555772387 /nfs/dbraw/zinc/77/23/87/555772387.db2.gz CVPQFMIBOJWEML-UHFFFAOYSA-N 0 0 437.362 5.749 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2C)sc2c3CCCC2)cc1 ZINC000002363676 555772393 /nfs/dbraw/zinc/77/23/93/555772393.db2.gz AMJVYJKKXQOZRY-UHFFFAOYSA-N 0 0 432.614 6.235 50 0 IKAARN CC(C)(C)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 ZINC000002366856 555772623 /nfs/dbraw/zinc/77/26/23/555772623.db2.gz XZNUJSCYYBEAQC-UHFFFAOYSA-N 0 0 447.025 5.687 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1cccc(Br)c1 ZINC000002366826 555772628 /nfs/dbraw/zinc/77/26/28/555772628.db2.gz JRYJICJXGAENMF-UHFFFAOYSA-N 0 0 434.384 5.063 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002373605 555773280 /nfs/dbraw/zinc/77/32/80/555773280.db2.gz LJFLUOMEYNHZDW-UHFFFAOYSA-N 0 0 447.579 6.672 50 0 IKAARN COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002377775 555773988 /nfs/dbraw/zinc/77/39/88/555773988.db2.gz KSBLULWWVSLOMG-UHFFFAOYSA-N 0 0 443.616 6.841 50 0 IKAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 ZINC000002381024 555774047 /nfs/dbraw/zinc/77/40/47/555774047.db2.gz WVIKFKHYROFLML-JOCHJYFZSA-N 0 0 431.875 5.200 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cc(Cl)ccc4C)c23)cc1 ZINC000002389211 555774955 /nfs/dbraw/zinc/77/49/55/555774955.db2.gz SGIVFELKBBFSDO-UHFFFAOYSA-N 0 0 439.993 6.359 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1 ZINC000002403662 555776072 /nfs/dbraw/zinc/77/60/72/555776072.db2.gz XRAWHJNMKILGRR-UHFFFAOYSA-N 0 0 430.533 5.488 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002409537 555776649 /nfs/dbraw/zinc/77/66/49/555776649.db2.gz XKPWTXRMDNWYDW-LEWJYISDSA-N 0 0 436.899 5.345 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000002409536 555776705 /nfs/dbraw/zinc/77/67/05/555776705.db2.gz XKPWTXRMDNWYDW-RTWAWAEBSA-N 0 0 436.899 5.345 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nccs1 ZINC000002422578 555777601 /nfs/dbraw/zinc/77/76/01/555777601.db2.gz MSJVRSSJTIUQDQ-MRXNPFEDSA-N 0 0 429.284 5.306 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O ZINC000002421081 555777657 /nfs/dbraw/zinc/77/76/57/555777657.db2.gz IQFYUSWPDBQCFL-OAQYLSRUSA-N 0 0 425.912 5.115 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O ZINC000002421080 555777677 /nfs/dbraw/zinc/77/76/77/555777677.db2.gz IQFYUSWPDBQCFL-NRFANRHFSA-N 0 0 425.912 5.115 50 0 IKAARN Clc1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn32)c(Cl)c1 ZINC000002427834 555778052 /nfs/dbraw/zinc/77/80/52/555778052.db2.gz WUJUZNQSTFOUAH-UHFFFAOYSA-N 0 0 426.126 5.589 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002432579 555778256 /nfs/dbraw/zinc/77/82/56/555778256.db2.gz PVENOTGZEPSWMD-UHFFFAOYSA-N 0 0 443.355 6.674 50 0 IKAARN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 ZINC000002432282 555778342 /nfs/dbraw/zinc/77/83/42/555778342.db2.gz INYQEDFPNKRYPH-UHFFFAOYSA-N 0 0 444.560 5.194 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1 ZINC000002442396 555779372 /nfs/dbraw/zinc/77/93/72/555779372.db2.gz AENZLHDNTJWNKX-UHFFFAOYSA-N 0 0 432.549 5.188 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC000002441115 555779379 /nfs/dbraw/zinc/77/93/79/555779379.db2.gz PAUJAEXIDZPBTN-UHFFFAOYSA-N 0 0 429.549 5.184 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)cc1 ZINC000002441059 555779432 /nfs/dbraw/zinc/77/94/32/555779432.db2.gz SWNOQQBIPRWMRH-UHFFFAOYSA-N 0 0 434.590 5.267 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccco2)cc1 ZINC000002442674 555779613 /nfs/dbraw/zinc/77/96/13/555779613.db2.gz CQJQMVMTNSIHTG-UHFFFAOYSA-N 0 0 448.548 5.274 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccs2)cc1 ZINC000002443379 555779707 /nfs/dbraw/zinc/77/97/07/555779707.db2.gz ATFWVMJXYVJZMP-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 ZINC000002443817 555779939 /nfs/dbraw/zinc/77/99/39/555779939.db2.gz LLDSYOPUMBLVIZ-UHFFFAOYSA-N 0 0 428.989 5.692 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(OC)c1 ZINC000002444706 555779944 /nfs/dbraw/zinc/77/99/44/555779944.db2.gz FVXFGKOYMYSPRI-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002444264 555779998 /nfs/dbraw/zinc/77/99/98/555779998.db2.gz VOUZRQKECBZOHM-UHFFFAOYSA-N 0 0 448.979 5.881 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000002444390 555780051 /nfs/dbraw/zinc/78/00/51/555780051.db2.gz QBLUIXLQOCYGBE-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1Cc1ccco1 ZINC000002447104 555780556 /nfs/dbraw/zinc/78/05/56/555780556.db2.gz JXIWNJXYZGTRPB-UHFFFAOYSA-N 0 0 434.323 6.325 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000002446982 555780593 /nfs/dbraw/zinc/78/05/93/555780593.db2.gz IHKDTQBDMPBKTK-UHFFFAOYSA-N 0 0 425.316 5.142 50 0 IKAARN Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002448886 555780838 /nfs/dbraw/zinc/78/08/38/555780838.db2.gz WZNHXASUNZTERH-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000002447976 555780844 /nfs/dbraw/zinc/78/08/44/555780844.db2.gz YSUSPOKUMPGTHN-UHFFFAOYSA-N 0 0 433.986 5.271 50 0 IKAARN COc1ccc(-c2nc(SCc3cccc(C)c3)nn2-c2nc3ccccc3s2)cc1 ZINC000002449107 555781057 /nfs/dbraw/zinc/78/10/57/555781057.db2.gz UMSWNBBKFTZASW-UHFFFAOYSA-N 0 0 444.585 6.153 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002449671 555781088 /nfs/dbraw/zinc/78/10/88/555781088.db2.gz ZENKZVGSUOSJJW-BJKOFHAPSA-N 0 0 442.519 5.352 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 ZINC000002449416 555781093 /nfs/dbraw/zinc/78/10/93/555781093.db2.gz JMYIXHFBOKXATG-UHFFFAOYSA-N 0 0 448.523 5.203 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000002451248 555781760 /nfs/dbraw/zinc/78/17/60/555781760.db2.gz WFRFZESESBTVEB-UHFFFAOYSA-N 0 0 425.316 5.142 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(Cl)c1 ZINC000002450908 555781794 /nfs/dbraw/zinc/78/17/94/555781794.db2.gz BTSIEEMNJYKPPL-UHFFFAOYSA-N 0 0 428.989 5.647 50 0 IKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2cccc(C)c2)cc1 ZINC000002450868 555781827 /nfs/dbraw/zinc/78/18/27/555781827.db2.gz KXUUSWIBGZHRMT-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000002452488 555782025 /nfs/dbraw/zinc/78/20/25/555782025.db2.gz PAOIPURZPVUPQP-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002453647 555782311 /nfs/dbraw/zinc/78/23/11/555782311.db2.gz RTPAEMUJKNQKOX-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 ZINC000002454381 555782549 /nfs/dbraw/zinc/78/25/49/555782549.db2.gz BPIANBNHQHWBFH-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000002454075 555782580 /nfs/dbraw/zinc/78/25/80/555782580.db2.gz JMTIWXBYQYYRBT-UHFFFAOYSA-N 0 0 443.616 6.841 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Br)o1)C[C@H](CC)CC2 ZINC000002476958 555783511 /nfs/dbraw/zinc/78/35/11/555783511.db2.gz GHVFYWJGQDTZRH-SNVBAGLBSA-N 0 0 426.332 5.048 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000002483517 555783893 /nfs/dbraw/zinc/78/38/93/555783893.db2.gz IGVXMFAGMDUSNO-UHFFFAOYSA-N 0 0 437.517 5.489 50 0 IKAARN Cc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc23)c1C(=O)OC(C)C ZINC000002484245 555783918 /nfs/dbraw/zinc/78/39/18/555783918.db2.gz LFPFXZHVIJCDSN-UHFFFAOYSA-N 0 0 441.480 5.400 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 ZINC000002495127 555784072 /nfs/dbraw/zinc/78/40/72/555784072.db2.gz FNTQSQMTYHTWOP-INIZCTEOSA-N 0 0 426.756 5.078 50 0 IKAARN FC(F)(F)c1cc(-c2cccs2)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000002490026 555784121 /nfs/dbraw/zinc/78/41/21/555784121.db2.gz UVYXJSWZAPBABD-UHFFFAOYSA-N 0 0 435.474 6.734 50 0 IKAARN COP(=O)(OC)[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000002495567 555784222 /nfs/dbraw/zinc/78/42/22/555784222.db2.gz MUNFYJKZPCJMFW-OAHLLOKOSA-N 0 0 439.073 6.353 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(F)cc1)c1ccccc21 ZINC000002497236 555784591 /nfs/dbraw/zinc/78/45/91/555784591.db2.gz TYFYARNDKJALHQ-UHFFFAOYSA-N 0 0 427.453 5.011 50 0 IKAARN COC(=O)c1cc(C(=O)c2cccc3ccccc32)n2cnc(-c3ccccc3OC)cc12 ZINC000002529462 555785763 /nfs/dbraw/zinc/78/57/63/555785763.db2.gz TXWKIWRGZZQYMI-UHFFFAOYSA-N 0 0 436.467 5.181 50 0 IKAARN O=C(c1cc(C(=O)c2ccc(Cl)cc2)n2ccc(Cc3ccccc3)cc12)c1ccccc1 ZINC000002529488 555785837 /nfs/dbraw/zinc/78/58/37/555785837.db2.gz BADWXHKHPABRNQ-UHFFFAOYSA-N 0 0 449.937 6.646 50 0 IKAARN Cc1c2cc(Br)cc(Cl)c2oc(=O)c1-c1cccc(Br)c1 ZINC000002529939 555786180 /nfs/dbraw/zinc/78/61/80/555786180.db2.gz YNOYBBAWJPIRAI-UHFFFAOYSA-N 0 0 428.507 5.947 50 0 IKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccs4)C32)c1 ZINC000002542261 555786726 /nfs/dbraw/zinc/78/67/26/555786726.db2.gz DULQRBLQAKSTLV-NHCUHLMSSA-N 0 0 436.899 5.345 50 0 IKAARN Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=N2 ZINC000002542279 555786763 /nfs/dbraw/zinc/78/67/63/555786763.db2.gz FQYHPBCXTOWINF-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN O=C(C[C@H](c1ccc(Br)cc1)[C@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000002546821 555786926 /nfs/dbraw/zinc/78/69/26/555786926.db2.gz BYDVZMZJQQWBQV-NHCUHLMSSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@H](c1ccc(Br)cc1)[C@H]1CCCCCCC1=O)c1ccccc1Cl ZINC000002548972 555786966 /nfs/dbraw/zinc/78/69/66/555786966.db2.gz OONLQIVENUSPJG-UYAOXDASSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCCC1=O)c1ccccc1Br ZINC000002548974 555786975 /nfs/dbraw/zinc/78/69/75/555786975.db2.gz PUUUZEBCVYVNKE-QUCCMNQESA-N 0 0 447.800 6.999 50 0 IKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2 ZINC000002549642 555787271 /nfs/dbraw/zinc/78/72/71/555787271.db2.gz FQDCNCJOURUKNF-DZGCQCFKSA-N 0 0 442.993 5.829 50 0 IKAARN CC(C)(C)OC(=O)n1cc(I)c2c1cccc2OCc1ccccc1 ZINC000002563785 555787889 /nfs/dbraw/zinc/78/78/89/555787889.db2.gz FPBWYSDCTPHCSY-UHFFFAOYSA-N 0 0 449.288 5.608 50 0 IKAARN CCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(OC)cc3)c3cc(C)ccc3n2)cc1 ZINC000002577079 555788218 /nfs/dbraw/zinc/78/82/18/555788218.db2.gz GPDMMYSRTWBJSJ-UHFFFAOYSA-N 0 0 439.511 5.821 50 0 IKAARN O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000002573032 555788231 /nfs/dbraw/zinc/78/82/31/555788231.db2.gz TUSGTDYZJWDGQB-VWLOTQADSA-N 0 0 437.391 8.253 50 0 IKAARN CCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(C)cc21 ZINC000002575542 555788247 /nfs/dbraw/zinc/78/82/47/555788247.db2.gz RSJZXGJMSWFHAS-UHFFFAOYSA-N 0 0 426.354 6.710 50 0 IKAARN Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1 ZINC000002574219 555788278 /nfs/dbraw/zinc/78/82/78/555788278.db2.gz FQNVFRPAQRVHKO-UHFFFAOYSA-N 0 0 440.590 9.243 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002590358 555789163 /nfs/dbraw/zinc/78/91/63/555789163.db2.gz ZWGHSCHLHVVFCZ-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000002589477 555789207 /nfs/dbraw/zinc/78/92/07/555789207.db2.gz UFKACIBEKZJPMK-VWLOTQADSA-N 0 0 441.556 6.362 50 0 IKAARN CCn1c(=O)c2c(nc1SCC(=O)c1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002592456 555789251 /nfs/dbraw/zinc/78/92/51/555789251.db2.gz YYEZYJBISPGFRV-UHFFFAOYSA-N 0 0 444.600 5.663 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000002592973 555789260 /nfs/dbraw/zinc/78/92/60/555789260.db2.gz IHUFGXDGWSHTLL-SMDDNHRTSA-N 0 0 442.393 5.043 50 0 IKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002617389 555790210 /nfs/dbraw/zinc/79/02/10/555790210.db2.gz MAAWAFXJMHWHTD-UHFFFAOYSA-N 0 0 448.551 5.971 50 0 IKAARN C[C@H](NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)c1ccccc1 ZINC000034679798 555790454 /nfs/dbraw/zinc/79/04/54/555790454.db2.gz QQRHIDMHQSGFSX-NRFANRHFSA-N 0 0 438.527 5.547 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046159004 555790741 /nfs/dbraw/zinc/79/07/41/555790741.db2.gz IWEKHMBKZWWMKN-UHFFFAOYSA-N 0 0 432.352 5.029 50 0 IKAARN C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667474 555791794 /nfs/dbraw/zinc/79/17/94/555791794.db2.gz YAXFIAZKGNUNPQ-XHCCPWGMSA-N 0 0 444.550 5.019 50 0 IKAARN O=C(Nc1ccc(F)cc1Cl)c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046159013 555792011 /nfs/dbraw/zinc/79/20/11/555792011.db2.gz OIBVVUIRQBHMPF-UHFFFAOYSA-N 0 0 448.807 5.543 50 0 IKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)NCc3ccc(F)cc3)cs2)s1 ZINC000034670258 555792746 /nfs/dbraw/zinc/79/27/46/555792746.db2.gz STUDESDCZUNZRY-UHFFFAOYSA-N 0 0 445.629 5.630 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000034679939 555793040 /nfs/dbraw/zinc/79/30/40/555793040.db2.gz SPOFOSNEBUJFNS-OAQYLSRUSA-N 0 0 446.566 5.825 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)Nc1ccc(F)cc1 ZINC000034672461 555793651 /nfs/dbraw/zinc/79/36/51/555793651.db2.gz SGHFYSZQJFZHLA-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)NCc1ccccc1 ZINC000034672391 555793712 /nfs/dbraw/zinc/79/37/12/555793712.db2.gz LIOCCKIFOFAULD-UHFFFAOYSA-N 0 0 425.532 5.530 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccc(C)cc2)c1CCC(=O)NCc1ccccn1 ZINC000034672430 555793742 /nfs/dbraw/zinc/79/37/42/555793742.db2.gz KBIIHFPRKGDZPC-UHFFFAOYSA-N 0 0 440.547 5.234 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2cccc(C)c2)c1CCC(=O)NCc1ccccn1 ZINC000034672447 555793771 /nfs/dbraw/zinc/79/37/71/555793771.db2.gz KDFCFQZHPMPWTI-UHFFFAOYSA-N 0 0 440.547 5.234 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000034672473 555793798 /nfs/dbraw/zinc/79/37/98/555793798.db2.gz LJCUKXMLVXTIRI-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000034675762 555794087 /nfs/dbraw/zinc/79/40/87/555794087.db2.gz GSBHVALWWMONRI-UHFFFAOYSA-N 0 0 449.501 5.249 50 0 IKAARN Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCC(C)C)cc2)cc1 ZINC000034679965 555794687 /nfs/dbraw/zinc/79/46/87/555794687.db2.gz ARJODXNYBPXXPT-UHFFFAOYSA-N 0 0 432.539 5.296 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046159033 555796815 /nfs/dbraw/zinc/79/68/15/555796815.db2.gz IWORRDOUARVTMF-UHFFFAOYSA-N 0 0 444.844 5.713 50 0 IKAARN Clc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccs2)cc1 ZINC000002671181 555797038 /nfs/dbraw/zinc/79/70/38/555797038.db2.gz ZHRHNBHGZHTALQ-UHFFFAOYSA-N 0 0 441.006 6.551 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(OC)cc1 ZINC000002677570 555797799 /nfs/dbraw/zinc/79/77/99/555797799.db2.gz QJKIKEXZHOAWFP-UHFFFAOYSA-N 0 0 445.924 5.271 50 0 IKAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000002678317 555798092 /nfs/dbraw/zinc/79/80/92/555798092.db2.gz GWHMOUUSCQSNIW-MRXNPFEDSA-N 0 0 438.852 5.373 50 0 IKAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002678310 555798134 /nfs/dbraw/zinc/79/81/34/555798134.db2.gz HZUTUYTVNGPDDY-AWEZNQCLSA-N 0 0 445.243 5.409 50 0 IKAARN FC(F)(F)c1cc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)ccc1Cl ZINC000002680182 555798189 /nfs/dbraw/zinc/79/81/89/555798189.db2.gz FZFLFNTWRYRZKU-UHFFFAOYSA-N 0 0 440.277 7.428 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034679051 555798413 /nfs/dbraw/zinc/79/84/13/555798413.db2.gz QXYSCVHIFQUZJI-UHFFFAOYSA-N 0 0 448.954 5.111 50 0 IKAARN COc1ccc(C(=O)N[C@H](Nc2cc(Cl)ccc2Cl)C(=O)c2ccccc2)cc1 ZINC000002682439 555798505 /nfs/dbraw/zinc/79/85/05/555798505.db2.gz HHEQDUHMNROXTG-NRFANRHFSA-N 0 0 429.303 5.053 50 0 IKAARN O=C(NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1)Sc1ccc(Cl)cc1 ZINC000002689755 555799023 /nfs/dbraw/zinc/79/90/23/555799023.db2.gz YSVNNKZNUWHCFF-UHFFFAOYSA-N 0 0 444.645 6.136 50 0 IKAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC000034679743 555799092 /nfs/dbraw/zinc/79/90/92/555799092.db2.gz GHONFHACKCNWPR-UHFFFAOYSA-N 0 0 444.550 6.039 50 0 IKAARN O=C(N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1)Sc1ccccc1 ZINC000002689711 555799127 /nfs/dbraw/zinc/79/91/27/555799127.db2.gz QXWJPVAHAPYZGN-HNNXBMFYSA-N 0 0 425.120 5.637 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002698946 555800016 /nfs/dbraw/zinc/80/00/16/555800016.db2.gz VTXODJABZWUTJS-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN CCOc1ccc(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000002698950 555800153 /nfs/dbraw/zinc/80/01/53/555800153.db2.gz NHDXVELUQMOIRS-UHFFFAOYSA-N 0 0 437.011 5.858 50 0 IKAARN Cc1cc(C)c(-c2csc(Cc3nc(-c4cc5ccccc5oc4=O)cs3)n2)cc1C ZINC000002700408 555800461 /nfs/dbraw/zinc/80/04/61/555800461.db2.gz ZETUYIPGZRZFLP-UHFFFAOYSA-N 0 0 444.581 6.556 50 0 IKAARN O=c1oc2ccccc2cc1-c1csc(Cc2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000002700402 555800464 /nfs/dbraw/zinc/80/04/64/555800464.db2.gz NWUHEUIFOZPWGA-UHFFFAOYSA-N 0 0 436.945 6.284 50 0 IKAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccccc1Cl ZINC000002704517 555800801 /nfs/dbraw/zinc/80/08/01/555800801.db2.gz DKNDSXIPPGLYFM-OAQYLSRUSA-N 0 0 435.838 5.037 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2Br)c1Sc1ccccc1 ZINC000002713909 555801462 /nfs/dbraw/zinc/80/14/62/555801462.db2.gz PHMIZSXNTSRSCV-UHFFFAOYSA-N 0 0 445.382 6.079 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)NCc3ccccn3)c2)cc1 ZINC000034686511 555801506 /nfs/dbraw/zinc/80/15/06/555801506.db2.gz BCOIZINBISBAKT-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(=O)OC)C1 ZINC000002729137 555803395 /nfs/dbraw/zinc/80/33/95/555803395.db2.gz CAFDWOJRZLBJBF-OAHLLOKOSA-N 0 0 445.581 5.345 50 0 IKAARN S=C(Nc1cnn(Cc2ccccc2Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002732895 555805098 /nfs/dbraw/zinc/80/50/98/555805098.db2.gz DOYIFXBAHVVCRQ-UHFFFAOYSA-N 0 0 447.007 5.984 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002734412 555805713 /nfs/dbraw/zinc/80/57/13/555805713.db2.gz SKGSTGKATOEYIT-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002736579 555806172 /nfs/dbraw/zinc/80/61/72/555806172.db2.gz JIZYDNOLQZRLLH-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000002736888 555806571 /nfs/dbraw/zinc/80/65/71/555806571.db2.gz KKQREGZNPFTTPH-UHFFFAOYSA-N 0 0 430.935 6.255 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000002737443 555806825 /nfs/dbraw/zinc/80/68/25/555806825.db2.gz QWRGPKUYCDMGEN-UHFFFAOYSA-N 0 0 445.360 7.040 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002737812 555806835 /nfs/dbraw/zinc/80/68/35/555806835.db2.gz UJXUJCXECMRXTB-SNVBAGLBSA-N 0 0 427.740 6.176 50 0 IKAARN COc1cccc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)c1 ZINC000002737787 555806886 /nfs/dbraw/zinc/80/68/86/555806886.db2.gz VHMOUHDICLBSGI-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc(OC)c1OCc1ccccc1C ZINC000002739956 555807113 /nfs/dbraw/zinc/80/71/13/555807113.db2.gz SEEYAGWYJLVFRE-CIAFOILYSA-N 0 0 447.462 5.075 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(Cl)c(Cl)c3)S2)cc1Cl ZINC000002739570 555807129 /nfs/dbraw/zinc/80/71/29/555807129.db2.gz PDYZICCHWFGBJS-OAHLLOKOSA-N 0 0 442.755 5.394 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC)c(OC)c1)Nc1ccccc1-2 ZINC000002741985 555807401 /nfs/dbraw/zinc/80/74/01/555807401.db2.gz DZVAPFFZCXPVBF-NRFANRHFSA-N 0 0 438.553 5.341 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1cccc3ccccc31)Nc1ccccc1-2 ZINC000002742050 555807466 /nfs/dbraw/zinc/80/74/66/555807466.db2.gz UAUAYLLYHBVPJG-QHCPKHFHSA-N 0 0 428.561 6.477 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC)c(OC)c1)Nc1ccccc1-2 ZINC000002741984 555807469 /nfs/dbraw/zinc/80/74/69/555807469.db2.gz DZVAPFFZCXPVBF-OAQYLSRUSA-N 0 0 438.553 5.341 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1OCCC)Nc1ccccc1-2 ZINC000002742941 555807631 /nfs/dbraw/zinc/80/76/31/555807631.db2.gz QMKJXACSRUTRRC-JOCHJYFZSA-N 0 0 436.581 6.113 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc3ccccc3c1)Nc1ccccc1-2 ZINC000002745165 555808527 /nfs/dbraw/zinc/80/85/27/555808527.db2.gz ALDZKVBZNBKFBV-HSZRJFAPSA-N 0 0 428.561 6.477 50 0 IKAARN Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000002746106 555808880 /nfs/dbraw/zinc/80/88/80/555808880.db2.gz VJIPISMPXPAIQD-UHFFFAOYSA-N 0 0 427.331 5.664 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 ZINC000002750151 555810084 /nfs/dbraw/zinc/81/00/84/555810084.db2.gz OIBRUSPKJPFLSO-UHFFFAOYSA-N 0 0 430.287 5.611 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002749724 555810131 /nfs/dbraw/zinc/81/01/31/555810131.db2.gz BMTHLSUCWLDVFF-UHFFFAOYSA-N 0 0 436.402 6.065 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c3ccccc3n2)cc1C ZINC000002751750 555810307 /nfs/dbraw/zinc/81/03/07/555810307.db2.gz XDZFROYPFACXOR-UHFFFAOYSA-N 0 0 443.550 7.515 50 0 IKAARN Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)sc2c1 ZINC000002752702 555810653 /nfs/dbraw/zinc/81/06/53/555810653.db2.gz AOLCLECAPZMMHV-UHFFFAOYSA-N 0 0 441.021 7.536 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002753085 555810678 /nfs/dbraw/zinc/81/06/78/555810678.db2.gz WZGBERRYPDPSMZ-UHFFFAOYSA-N 0 0 445.360 6.787 50 0 IKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(Cn2cc(Cl)cn2)c1 ZINC000002754406 555810916 /nfs/dbraw/zinc/81/09/16/555810916.db2.gz CLKGNEFBXKASKM-UHFFFAOYSA-N 0 0 444.947 6.114 50 0 IKAARN CCCc1ccc(OCc2ccc(C(=O)n3nc(C)c(Br)c3C)cc2)cc1 ZINC000002755656 555811160 /nfs/dbraw/zinc/81/11/60/555811160.db2.gz JPEGVYSIFUPPNU-UHFFFAOYSA-N 0 0 427.342 5.482 50 0 IKAARN Cc1nn(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(C)c1Br ZINC000002755822 555811225 /nfs/dbraw/zinc/81/12/25/555811225.db2.gz ZTVQMAHHSSYLIG-UHFFFAOYSA-N 0 0 444.112 5.430 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000002758766 555811826 /nfs/dbraw/zinc/81/18/26/555811826.db2.gz ODHYILUQCDVKSJ-UHFFFAOYSA-N 0 0 448.972 5.201 50 0 IKAARN CCCc1ccc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)c2C(=O)OC)cc1 ZINC000002759723 555812041 /nfs/dbraw/zinc/81/20/41/555812041.db2.gz XSYRVSBLSOFFAV-UHFFFAOYSA-N 0 0 447.512 5.513 50 0 IKAARN O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000002760718 555812079 /nfs/dbraw/zinc/81/20/79/555812079.db2.gz VWQAYUVURNMDBZ-UHFFFAOYSA-N 0 0 449.721 6.230 50 0 IKAARN CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1cccc(OC)c1 ZINC000002759904 555812090 /nfs/dbraw/zinc/81/20/90/555812090.db2.gz MYVBCWFDEPNLPU-UHFFFAOYSA-N 0 0 431.513 6.006 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000002761104 555812328 /nfs/dbraw/zinc/81/23/28/555812328.db2.gz OQJLTIBDWXCTOR-UHFFFAOYSA-N 0 0 439.342 7.351 50 0 IKAARN Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N[C@H](C)c3ccccc3)cc2)c1 ZINC000034680108 555813113 /nfs/dbraw/zinc/81/31/13/555813113.db2.gz ABANRZRSWUXKMJ-OAQYLSRUSA-N 0 0 426.560 5.358 50 0 IKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc2sccc2n1CCc1ccccc1 ZINC000034680229 555813465 /nfs/dbraw/zinc/81/34/65/555813465.db2.gz KIKZLTAFHIXPQI-UHFFFAOYSA-N 0 0 428.479 5.894 50 0 IKAARN COC(=O)c1c(NC(=O)c2cccc(F)c2)scc1-c1ccc(Br)cc1 ZINC000002767528 555814249 /nfs/dbraw/zinc/81/42/49/555814249.db2.gz CNLDYOQJALMZKK-UHFFFAOYSA-N 0 0 434.286 5.356 50 0 IKAARN CCCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(F)cc1 ZINC000002767449 555814288 /nfs/dbraw/zinc/81/42/88/555814288.db2.gz ZUKSLEMREJJGPE-IBGZPJMESA-N 0 0 444.355 5.952 50 0 IKAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1-c1ccccc1CC2 ZINC000002768189 555814335 /nfs/dbraw/zinc/81/43/35/555814335.db2.gz WNFZBDFNHYCPSC-CYBMUJFWSA-N 0 0 441.936 5.360 50 0 IKAARN C[C@H](Oc1ccccc1)C(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C(N)=O ZINC000002768820 555814527 /nfs/dbraw/zinc/81/45/27/555814527.db2.gz VCKJSDZZVXDRQT-NSHDSACASA-N 0 0 435.332 5.227 50 0 IKAARN CC[C@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)Nc1cc(C)on1 ZINC000002768428 555814617 /nfs/dbraw/zinc/81/46/17/555814617.db2.gz RPLUZPPVQKSEJN-NRFANRHFSA-N 0 0 430.533 5.616 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)cc1 ZINC000002770353 555815273 /nfs/dbraw/zinc/81/52/73/555815273.db2.gz XJSMJDHFUJWYSJ-UHFFFAOYSA-N 0 0 446.816 5.387 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc5ccccc54)c3n2)cc1 ZINC000002770137 555815276 /nfs/dbraw/zinc/81/52/76/555815276.db2.gz AFFULZPSZROADR-UHFFFAOYSA-N 0 0 444.441 5.748 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)c3cc(C)ccc3C)c3ccccc3n2)c1 ZINC000002770041 555815310 /nfs/dbraw/zinc/81/53/10/555815310.db2.gz PDNDQFLGCNCLKG-LJQANCHMSA-N 0 0 440.543 6.027 50 0 IKAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)c3cc(C)ccc3C)c3ccccc3n2)c1 ZINC000002770042 555815361 /nfs/dbraw/zinc/81/53/61/555815361.db2.gz PDNDQFLGCNCLKG-IBGZPJMESA-N 0 0 440.543 6.027 50 0 IKAARN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682604 555816806 /nfs/dbraw/zinc/81/68/06/555816806.db2.gz UNZYKYZYEDMQEJ-UHFFFAOYSA-N 0 0 436.493 5.888 50 0 IKAARN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682743 555817162 /nfs/dbraw/zinc/81/71/62/555817162.db2.gz LFVPVVZTLBSHPZ-UHFFFAOYSA-N 0 0 436.493 5.951 50 0 IKAARN Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000034682904 555817535 /nfs/dbraw/zinc/81/75/35/555817535.db2.gz NVPHUERDOBXSGM-UHFFFAOYSA-N 0 0 442.481 5.918 50 0 IKAARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000002777215 555818408 /nfs/dbraw/zinc/81/84/08/555818408.db2.gz FKSVSRIJDMOTSA-APWZRJJASA-N 0 0 442.625 5.411 50 0 IKAARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 ZINC000002777179 555818466 /nfs/dbraw/zinc/81/84/66/555818466.db2.gz WUVXBKQJODUBRR-LPHOPBHVSA-N 0 0 429.582 5.463 50 0 IKAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 ZINC000002777178 555818473 /nfs/dbraw/zinc/81/84/73/555818473.db2.gz WUVXBKQJODUBRR-VQIMIIECSA-N 0 0 429.582 5.463 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 ZINC000002779904 555819168 /nfs/dbraw/zinc/81/91/68/555819168.db2.gz MVNIFTCHYRRZDV-UHFFFAOYSA-N 0 0 440.337 5.009 50 0 IKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(I)cc1 ZINC000002790535 555821297 /nfs/dbraw/zinc/82/12/97/555821297.db2.gz HURRMQPNHOLYFN-UHFFFAOYSA-N 0 0 429.685 5.051 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2oc1=O ZINC000002789130 555821383 /nfs/dbraw/zinc/82/13/83/555821383.db2.gz WEIVXLHLFIPEJA-UHFFFAOYSA-N 0 0 435.707 5.736 50 0 IKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)c(C)c1 ZINC000002789200 555821393 /nfs/dbraw/zinc/82/13/93/555821393.db2.gz RMAIVIBXSFRBQR-UHFFFAOYSA-N 0 0 429.925 5.489 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccccc2OCc2cc(F)ccc2F)n1 ZINC000034714382 555821685 /nfs/dbraw/zinc/82/16/85/555821685.db2.gz LMCCCTAFTSCXKR-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000002799039 555823775 /nfs/dbraw/zinc/82/37/75/555823775.db2.gz XKKNWHASSLQADA-CQSZACIVSA-N 0 0 443.494 5.770 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1Cl ZINC000002799777 555823783 /nfs/dbraw/zinc/82/37/83/555823783.db2.gz ZWIKVXQQSKEUNH-UHFFFAOYSA-N 0 0 427.835 5.448 50 0 IKAARN CCc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000002799051 555823794 /nfs/dbraw/zinc/82/37/94/555823794.db2.gz HUWCRRSTNBIRDM-CQSZACIVSA-N 0 0 431.483 5.844 50 0 IKAARN Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CC3)C2)c1 ZINC000034710136 555824064 /nfs/dbraw/zinc/82/40/64/555824064.db2.gz HXIYIDXVKUFJDR-IRLDBZIGSA-N 0 0 444.497 5.020 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002799964 555824069 /nfs/dbraw/zinc/82/40/69/555824069.db2.gz NCMXVCLEINHYDT-HNNXBMFYSA-N 0 0 431.483 5.899 50 0 IKAARN O=C(NCc1ccncc1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 ZINC000034711830 555824854 /nfs/dbraw/zinc/82/48/54/555824854.db2.gz JXNMWEBEJHYFGP-UHFFFAOYSA-N 0 0 435.936 5.368 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000034711865 555824898 /nfs/dbraw/zinc/82/48/98/555824898.db2.gz HFDGAFVZGSWTGS-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1 ZINC000034711882 555824916 /nfs/dbraw/zinc/82/49/16/555824916.db2.gz QEHVNWQCZQRYNF-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)N(C)Cc4ccccc4)cs3)cc2)c1 ZINC000034711968 555825128 /nfs/dbraw/zinc/82/51/28/555825128.db2.gz UHCSOPPXLMUXSZ-UHFFFAOYSA-N 0 0 444.556 5.670 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3ccc(OCc4c(F)cccc4F)cc3)n2)cc1 ZINC000034711890 555825205 /nfs/dbraw/zinc/82/52/05/555825205.db2.gz IZZSHETUMPTFCA-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN Cc1cccc(NC(=O)c2csc(-c3ccc(OCc4c(F)cccc4F)cc3)n2)c1 ZINC000034711893 555825209 /nfs/dbraw/zinc/82/52/09/555825209.db2.gz WWPQRMYKGSNACA-UHFFFAOYSA-N 0 0 436.483 6.228 50 0 IKAARN COc1cc(-c2nc(C(=O)NCCC(C)C)cs2)ccc1OCc1ccc(F)cc1 ZINC000034712270 555825496 /nfs/dbraw/zinc/82/54/96/555825496.db2.gz BFESNBFHQOYVAU-UHFFFAOYSA-N 0 0 428.529 5.313 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)ccc1OC(C)C ZINC000034712343 555825508 /nfs/dbraw/zinc/82/55/08/555825508.db2.gz KKQVKYKVMBSBIG-UHFFFAOYSA-N 0 0 436.455 5.877 50 0 IKAARN COc1cc(-c2nc(C(=O)NCc3ccc(F)cc3)cs2)ccc1OCc1ccccc1 ZINC000034712290 555825519 /nfs/dbraw/zinc/82/55/19/555825519.db2.gz UXZAJNSAQIXLLI-UHFFFAOYSA-N 0 0 448.519 5.467 50 0 IKAARN COc1cc(-c2nc(C(=O)NCc3ccccc3)cs2)ccc1OCc1ccc(F)cc1 ZINC000034712259 555825529 /nfs/dbraw/zinc/82/55/29/555825529.db2.gz RLJSOQMMBNDOGP-UHFFFAOYSA-N 0 0 448.519 5.467 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)ccc1OCc1ccccc1F ZINC000034712209 555825552 /nfs/dbraw/zinc/82/55/52/555825552.db2.gz MRJGDDINYOLMAX-UHFFFAOYSA-N 0 0 448.519 6.098 50 0 IKAARN CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1 ZINC000034712515 555825753 /nfs/dbraw/zinc/82/57/53/555825753.db2.gz RSGONJJTGLLOQI-UHFFFAOYSA-N 0 0 437.348 5.454 50 0 IKAARN COc1cc(-c2nc(C(=O)NCC(C)C)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000034712494 555825812 /nfs/dbraw/zinc/82/58/12/555825812.db2.gz MPQUEGLHYLWASX-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712827 555825832 /nfs/dbraw/zinc/82/58/32/555825832.db2.gz WGKXRKYTZMVSRG-UHFFFAOYSA-N 0 0 434.948 5.973 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3c(F)cccc3F)c(OC)c2)n1 ZINC000034712429 555825836 /nfs/dbraw/zinc/82/58/36/555825836.db2.gz ZKCJQQGBHZVCEI-UHFFFAOYSA-N 0 0 432.492 5.158 50 0 IKAARN O=C(NCc1ccco1)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1 ZINC000034712891 555826073 /nfs/dbraw/zinc/82/60/73/555826073.db2.gz UJKZIZZUKWIWBV-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN COc1cccc(COc2cccc(-c3nc(C(=O)NCc4ccc(F)cc4)cs3)c2)c1 ZINC000034712912 555826102 /nfs/dbraw/zinc/82/61/02/555826102.db2.gz HOHCKULLJGULQY-UHFFFAOYSA-N 0 0 448.519 5.467 50 0 IKAARN CC(C)CNC(=O)c1csc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000034712987 555826106 /nfs/dbraw/zinc/82/61/06/555826106.db2.gz HOSATBTXIXLROR-UHFFFAOYSA-N 0 0 435.376 6.082 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712848 555826121 /nfs/dbraw/zinc/82/61/21/555826121.db2.gz XPPOITUNKIFIQT-UHFFFAOYSA-N 0 0 448.975 6.315 50 0 IKAARN Cc1ccc(NC(=O)c2csc(-c3cccc(OCc4cccc(Cl)c4)c3)n2)cc1 ZINC000034712833 555826125 /nfs/dbraw/zinc/82/61/25/555826125.db2.gz CBWFFNKZICCYBZ-UHFFFAOYSA-N 0 0 434.948 6.603 50 0 IKAARN O=C(NCc1cccnc1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034712961 555826136 /nfs/dbraw/zinc/82/61/36/555826136.db2.gz NOQSFGAJBWRBOC-UHFFFAOYSA-N 0 0 435.936 5.368 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2F)n1 ZINC000034713347 555826420 /nfs/dbraw/zinc/82/64/20/555826420.db2.gz YOLQFOCCSCTWGF-MRXNPFEDSA-N 0 0 446.931 5.090 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3F)n2)cc1 ZINC000034713228 555826434 /nfs/dbraw/zinc/82/64/34/555826434.db2.gz JQKGNGSZYWQTCL-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN CCOc1ccc([C@@H](Nc2ccc(Br)cc2)P2(=O)OCCCO2)cc1 ZINC000002810175 555826982 /nfs/dbraw/zinc/82/69/82/555826982.db2.gz DJRSCRXIDSMWCB-SFHVURJKSA-N 0 0 426.247 5.589 50 0 IKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1 ZINC000034713539 555826990 /nfs/dbraw/zinc/82/69/90/555826990.db2.gz ISFYNSQPWYMHQG-UHFFFAOYSA-N 0 0 440.446 6.059 50 0 IKAARN CCOc1ccc([C@H](Nc2ccc(Br)cc2)P2(=O)OCCCO2)cc1 ZINC000002810176 555827031 /nfs/dbraw/zinc/82/70/31/555827031.db2.gz DJRSCRXIDSMWCB-GOSISDBHSA-N 0 0 426.247 5.589 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000002811378 555827235 /nfs/dbraw/zinc/82/72/35/555827235.db2.gz RKAIFMRKKRAIAR-UHFFFAOYSA-N 0 0 448.807 5.768 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc2ccccc21 ZINC000002810579 555827262 /nfs/dbraw/zinc/82/72/62/555827262.db2.gz QDSHIPJGVLLZNC-UHFFFAOYSA-N 0 0 441.487 5.914 50 0 IKAARN CSc1ccccc1NC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000002811333 555827263 /nfs/dbraw/zinc/82/72/63/555827263.db2.gz YQCTWMVZYNNRSE-UHFFFAOYSA-N 0 0 446.429 5.528 50 0 IKAARN Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000002812301 555827557 /nfs/dbraw/zinc/82/75/57/555827557.db2.gz NMOCYVPCZULQDU-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1 ZINC000034713693 555827660 /nfs/dbraw/zinc/82/76/60/555827660.db2.gz QHNFWEFSTYVZJV-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)cc2)c1 ZINC000002812871 555827833 /nfs/dbraw/zinc/82/78/33/555827833.db2.gz YQQCQSLAHKJUOO-HNNXBMFYSA-N 0 0 437.879 5.029 50 0 IKAARN CCCC[C@H](C(=O)Nc1cc(C)ccc1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002814290 555828224 /nfs/dbraw/zinc/82/82/24/555828224.db2.gz UICQFXBRSBGGNZ-LJQANCHMSA-N 0 0 433.335 5.404 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000002818070 555829072 /nfs/dbraw/zinc/82/90/72/555829072.db2.gz PJQYYOWDYVZBNC-UHFFFAOYSA-N 0 0 432.170 5.500 50 0 IKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000002818811 555829412 /nfs/dbraw/zinc/82/94/12/555829412.db2.gz POWDFBJUKNYOBZ-NSHDSACASA-N 0 0 437.746 5.632 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Oc3ccccc3)cc1)C1c3ccccc3C2c2ccccc21 ZINC000002818770 555829503 /nfs/dbraw/zinc/82/95/03/555829503.db2.gz WNUQPIXOKYTGES-XQOSCOKLSA-N 0 0 443.502 5.876 50 0 IKAARN CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000002819917 555829789 /nfs/dbraw/zinc/82/97/89/555829789.db2.gz YZYAPTMNHQOFKA-UHFFFAOYSA-N 0 0 446.174 5.582 50 0 IKAARN c1ccc(-c2c3ccccc3nc3c2Cc2nc4ccccc4c(-c4ccccc4)c2C3)cc1 ZINC000002820021 555829809 /nfs/dbraw/zinc/82/98/09/555829809.db2.gz QZBGTXWNMRKJCQ-UHFFFAOYSA-N 0 0 434.542 7.612 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)N(C(C)=O)c1ccccc1-2 ZINC000002822699 555830133 /nfs/dbraw/zinc/83/01/33/555830133.db2.gz FLOKOJBOOAHYEJ-NRFANRHFSA-N 0 0 440.956 5.528 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2OCc2cccc(Cl)c2)n1 ZINC000034714138 555830138 /nfs/dbraw/zinc/83/01/38/555830138.db2.gz INVYFHIIQGOJOP-UHFFFAOYSA-N 0 0 448.975 6.315 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H](C)Oc1ccccc1F ZINC000002823387 555830390 /nfs/dbraw/zinc/83/03/90/555830390.db2.gz KMEBZLQKLWUCBH-HNNXBMFYSA-N 0 0 427.497 5.445 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2ccccc2OCc2ccc(F)cc2F)n1 ZINC000034714183 555830441 /nfs/dbraw/zinc/83/04/41/555830441.db2.gz SEOCEDFYHZFDBR-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1ccc(NC(=O)Nc2nnc(CSCCOc3ccc(Cl)cc3)s2)cc1 ZINC000002824351 555830715 /nfs/dbraw/zinc/83/07/15/555830715.db2.gz AYDOQZYUYIMJKI-UHFFFAOYSA-N 0 0 434.974 5.456 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002826381 555831022 /nfs/dbraw/zinc/83/10/22/555831022.db2.gz RINSTZPESCEUHR-UHFFFAOYSA-N 0 0 427.500 5.909 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002826547 555831495 /nfs/dbraw/zinc/83/14/95/555831495.db2.gz HLQOLVSNCZXLBD-UHFFFAOYSA-N 0 0 449.547 5.304 50 0 IKAARN COc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCc4ccccc4C3)n21 ZINC000034699543 555832343 /nfs/dbraw/zinc/83/23/43/555832343.db2.gz IKVYGFAFBXQLEO-UHFFFAOYSA-N 0 0 441.922 5.169 50 0 IKAARN COc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002835189 555832371 /nfs/dbraw/zinc/83/23/71/555832371.db2.gz ULVAOAKZBVEPLW-UHFFFAOYSA-N 0 0 449.721 6.160 50 0 IKAARN Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000002835560 555832972 /nfs/dbraw/zinc/83/29/72/555832972.db2.gz CJFJIOAAYDHXCM-UHFFFAOYSA-N 0 0 447.749 6.768 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000002836326 555832977 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O=C(c1ccccc1Br)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000010543132 555854525 /nfs/dbraw/zinc/85/45/25/555854525.db2.gz AOODAOFZYAMFQC-UHFFFAOYSA-N 0 0 435.774 5.732 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002879955 555854573 /nfs/dbraw/zinc/85/45/73/555854573.db2.gz SKLIRBXPGSGYLB-AWEZNQCLSA-N 0 0 441.314 5.885 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002880919 555854888 /nfs/dbraw/zinc/85/48/88/555854888.db2.gz BJNWLEXPQKAUBF-UHFFFAOYSA-N 0 0 442.968 5.288 50 0 IKAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000002880904 555854904 /nfs/dbraw/zinc/85/49/04/555854904.db2.gz WTVGRWQFFDYWER-UHFFFAOYSA-N 0 0 449.557 5.107 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000002881269 555855219 /nfs/dbraw/zinc/85/52/19/555855219.db2.gz CIWWAORXWNHJJE-UHFFFAOYSA-N 0 0 436.577 5.481 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000002881348 555855497 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O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000002898588 555860657 /nfs/dbraw/zinc/86/06/57/555860657.db2.gz PYABQJXVKPIZGM-UIOOFZCWSA-N 0 0 428.482 6.143 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCCCC3)cc1 ZINC000002904782 555860983 /nfs/dbraw/zinc/86/09/83/555860983.db2.gz FNTTUCUTFDIBCW-UHFFFAOYSA-N 0 0 434.561 5.920 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2F)n1 ZINC000034723079 555860999 /nfs/dbraw/zinc/86/09/99/555860999.db2.gz LSGAKSVKAPQGKR-UHFFFAOYSA-N 0 0 436.911 5.801 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 ZINC000002906098 555861360 /nfs/dbraw/zinc/86/13/60/555861360.db2.gz IXAVUQGGHKZXEC-HXUWFJFHSA-N 0 0 436.924 6.067 50 0 IKAARN Fc1c(F)c(Oc2ccc3ccccc3c2)c(F)c(F)c1Oc1ccc2ccccc2c1 ZINC000002905292 555861375 /nfs/dbraw/zinc/86/13/75/555861375.db2.gz AAVKTFUHTXSDSV-UHFFFAOYSA-N 0 0 434.388 8.134 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccccc1-2 ZINC000002906248 555861612 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5.153 50 0 IKAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000002917904 555863095 /nfs/dbraw/zinc/86/30/95/555863095.db2.gz LMDQPAJOZJBVBM-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN COc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000002922086 555863514 /nfs/dbraw/zinc/86/35/14/555863514.db2.gz YYBNCVPUCBDXRF-UHFFFAOYSA-N 0 0 437.326 6.778 50 0 IKAARN NC(=O)c1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CCCCCC2 ZINC000002922212 555863521 /nfs/dbraw/zinc/86/35/21/555863521.db2.gz IECLWIDDUPJUAL-UHFFFAOYSA-N 0 0 432.589 5.667 50 0 IKAARN O=C(Nc1cccc(O)c1)c1ccc(Oc2ccc(C(=O)Nc3cccc(O)c3)cc2)cc1 ZINC000002929282 555863678 /nfs/dbraw/zinc/86/36/78/555863678.db2.gz BZTKBHSBDPTGHV-UHFFFAOYSA-N 0 0 440.455 5.395 50 0 IKAARN CC(C)CCOc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)c1 ZINC000002925894 555863827 /nfs/dbraw/zinc/86/38/27/555863827.db2.gz UAKAZJLFFZCRRL-UHFFFAOYSA-N 0 0 436.939 6.270 50 0 IKAARN C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000002932958 555864136 /nfs/dbraw/zinc/86/41/36/555864136.db2.gz SJVGQUXDFODSJJ-VXKWHMMOSA-N 0 0 448.566 6.336 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1 ZINC000002934060 555864426 /nfs/dbraw/zinc/86/44/26/555864426.db2.gz RCICNWIHEAIFRG-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN Cc1ccccc1NC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCCC2 ZINC000002940957 555864751 /nfs/dbraw/zinc/86/47/51/555864751.db2.gz CWTBNLAAJDUPAJ-UHFFFAOYSA-N 0 0 435.618 6.387 50 0 IKAARN O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O ZINC000002940965 555864805 /nfs/dbraw/zinc/86/48/05/555864805.db2.gz HIVKFWAZTGFBSK-UHFFFAOYSA-N 0 0 434.451 5.112 50 0 IKAARN Cc1cccc(CNC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)CN(C(=O)c3ccccc3)C2)c1 ZINC000034715492 555865145 /nfs/dbraw/zinc/86/51/45/555865145.db2.gz JTRJZXOCYJGESC-LOSJGSFVSA-N 0 0 444.550 5.005 50 0 IKAARN Cc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Br)cc2)cc1C ZINC000002946643 555865406 /nfs/dbraw/zinc/86/54/06/555865406.db2.gz DFUPBEKCBPNZHZ-UHFFFAOYSA-N 0 0 449.348 5.522 50 0 IKAARN CCc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccccc1 ZINC000002946002 555865425 /nfs/dbraw/zinc/86/54/25/555865425.db2.gz KNPXNYBTISCCDQ-UHFFFAOYSA-N 0 0 440.568 6.791 50 0 IKAARN Cc1ccc(C(=O)N2CCCC[C@@H]2C)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034723823 555865435 /nfs/dbraw/zinc/86/54/35/555865435.db2.gz GKKDKHMLTDBQDM-SFHVURJKSA-N 0 0 439.987 5.078 50 0 IKAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000002946883 555865443 /nfs/dbraw/zinc/86/54/43/555865443.db2.gz RYUKZPBMUUHLPI-UONOGXRCSA-N 0 0 440.878 5.188 50 0 IKAARN COc1ccc(CCCNC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC ZINC000002947702 555865743 /nfs/dbraw/zinc/86/57/43/555865743.db2.gz VFJSFQDNDBTKRC-RUZDIDTESA-N 0 0 443.587 5.376 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4Cl)c3)oc2c1 ZINC000002950930 555865912 /nfs/dbraw/zinc/86/59/12/555865912.db2.gz VJWAGXNZLQYHPB-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN O=C(Nc1ccc(I)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002951179 555866039 /nfs/dbraw/zinc/86/60/39/555866039.db2.gz ZTNIARPUNYUIOF-UHFFFAOYSA-N 0 0 433.676 5.864 50 0 IKAARN O=C(Nc1ccc(I)cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002951678 555866065 /nfs/dbraw/zinc/86/60/65/555866065.db2.gz KKUJFDSRCOIPOU-UHFFFAOYSA-N 0 0 447.703 5.715 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccco1 ZINC000002954650 555866642 /nfs/dbraw/zinc/86/66/42/555866642.db2.gz SUPIOTIEBJBENU-UHFFFAOYSA-N 0 0 439.496 5.882 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(Cl)cc1 ZINC000002956467 555866973 /nfs/dbraw/zinc/86/69/73/555866973.db2.gz LBALXHBTJQBEBX-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3C)oc2c(C)c1 ZINC000002957139 555867031 /nfs/dbraw/zinc/86/70/31/555867031.db2.gz OOTAULFNLLWFNU-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN CC(C)N(C)C(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000034717221 555867036 /nfs/dbraw/zinc/86/70/36/555867036.db2.gz 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O=P(Nc1cccc(Cl)c1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000002963469 555868238 /nfs/dbraw/zinc/86/82/38/555868238.db2.gz NPYVTNAQQQYILA-UHFFFAOYSA-N 0 0 428.639 7.325 50 0 IKAARN Cc1cccc(OP(=O)(Nc2cc(Cl)ccc2C)Oc2cccc(C)c2C)c1C ZINC000002963439 555868264 /nfs/dbraw/zinc/86/82/64/555868264.db2.gz PBPQXRSPYGNQKJ-UHFFFAOYSA-N 0 0 429.884 7.560 50 0 IKAARN CCOC(=O)[C@@H]1CCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)cc1 ZINC000002963191 555868291 /nfs/dbraw/zinc/86/82/91/555868291.db2.gz HSGZDBKSGJHBGJ-HYBUGGRVSA-N 0 0 448.360 6.496 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1 ZINC000034717485 555868298 /nfs/dbraw/zinc/86/82/98/555868298.db2.gz ZSUHMGBGHMYAMU-UHFFFAOYSA-N 0 0 433.360 5.836 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2Cl)n1 ZINC000034717490 555868304 /nfs/dbraw/zinc/86/83/04/555868304.db2.gz IIYJQXXNDMTQDV-UHFFFAOYSA-N 0 0 433.360 5.836 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002970546 555869262 /nfs/dbraw/zinc/86/92/62/555869262.db2.gz GLUHUYNORRLPGB-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(OCC)cc1 ZINC000002971758 555869318 /nfs/dbraw/zinc/86/93/18/555869318.db2.gz GQNRWLARQDMATN-UHFFFAOYSA-N 0 0 435.376 6.720 50 0 IKAARN Cc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1Cl ZINC000002972298 555869661 /nfs/dbraw/zinc/86/96/61/555869661.db2.gz UNODZSGQRTXTPG-UHFFFAOYSA-N 0 0 442.165 6.440 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000034730009 555869734 /nfs/dbraw/zinc/86/97/34/555869734.db2.gz JHQVUGNWRIBZBM-UHFFFAOYSA-N 0 0 449.545 5.286 50 0 IKAARN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(Cl)c(Cl)c1 ZINC000002976170 555869982 /nfs/dbraw/zinc/86/99/82/555869982.db2.gz DOULTQCFZSFHBB-UHFFFAOYSA-N 0 0 425.768 6.975 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000002975924 555870038 /nfs/dbraw/zinc/87/00/38/555870038.db2.gz XAEVHDMCURVBMT-UHFFFAOYSA-N 0 0 447.705 6.473 50 0 IKAARN Cc1ccccc1NC(=O)Nc1nnc(CSCc2ccc(Cl)cc2Cl)s1 ZINC000002977965 555870317 /nfs/dbraw/zinc/87/03/17/555870317.db2.gz WXPKCDPUXCUDMP-UHFFFAOYSA-N 0 0 439.393 6.231 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(O)cc2)Nc2ccccc2-3)cc1 ZINC000002977710 555870407 /nfs/dbraw/zinc/87/04/07/555870407.db2.gz CONTYGMQKDGQLO-QFIPXVFZSA-N 0 0 428.517 5.348 50 0 IKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(F)cc1 ZINC000002978833 555870967 /nfs/dbraw/zinc/87/09/67/555870967.db2.gz ZOCLIDJAEXWFPU-UHFFFAOYSA-N 0 0 441.940 5.883 50 0 IKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Br ZINC000002978768 555871007 /nfs/dbraw/zinc/87/10/07/555871007.db2.gz VUDROHAIHQWAEX-UHFFFAOYSA-N 0 0 437.668 5.248 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=O)COc4ccc5ccccc5c4)ccc3Cl)oc2c1 ZINC000002978626 555871025 /nfs/dbraw/zinc/87/10/25/555871025.db2.gz ITKJJWDADVFKBZ-UHFFFAOYSA-N 0 0 442.902 6.627 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccc(C(C)C)cc2)cc1 ZINC000002979190 555871116 /nfs/dbraw/zinc/87/11/16/555871116.db2.gz YEBCFBYNJMCSDW-UHFFFAOYSA-N 0 0 440.540 5.092 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3Cl)nc2c1 ZINC000002978941 555871215 /nfs/dbraw/zinc/87/12/15/555871215.db2.gz BWXNBSVJEFCHQQ-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000002978924 555871251 /nfs/dbraw/zinc/87/12/51/555871251.db2.gz USORWNJALXBZOW-UHFFFAOYSA-N 0 0 438.380 5.119 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000002979766 555871487 /nfs/dbraw/zinc/87/14/87/555871487.db2.gz NSJSSRKRXPPGOS-UHFFFAOYSA-N 0 0 429.259 5.768 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)oc2cc1C ZINC000002979677 555871493 /nfs/dbraw/zinc/87/14/93/555871493.db2.gz IKEHZCOKJMXMFT-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1C ZINC000002979733 555871572 /nfs/dbraw/zinc/87/15/72/555871572.db2.gz WKIABNALMNQVHJ-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1OC ZINC000002979500 555871612 /nfs/dbraw/zinc/87/16/12/555871612.db2.gz UMUDRYLTVGUIKD-UHFFFAOYSA-N 0 0 442.924 5.276 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(Cl)cc1 ZINC000002979858 555871840 /nfs/dbraw/zinc/87/18/40/555871840.db2.gz SFNDEPMIUIOCPA-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN CCOc1ccccc1Nc1nnc(-c2cc3cc(Br)ccc3oc2=O)s1 ZINC000002980529 555871888 /nfs/dbraw/zinc/87/18/88/555871888.db2.gz QBXWITTVIKTUDD-UHFFFAOYSA-N 0 0 444.310 5.216 50 0 IKAARN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1cccs1 ZINC000002981757 555872117 /nfs/dbraw/zinc/87/21/17/555872117.db2.gz FZSREENKTBLSLP-UHFFFAOYSA-N 0 0 433.714 6.225 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccc3F)cc2)cc1)c1ccccc1F ZINC000002981335 555872147 /nfs/dbraw/zinc/87/21/47/555872147.db2.gz BEHKYWHTJNHIFC-UHFFFAOYSA-N 0 0 442.465 6.060 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2C)cc1OC ZINC000002981836 555872179 /nfs/dbraw/zinc/87/21/79/555872179.db2.gz ULGOFSHYTPEXQZ-UHFFFAOYSA-N 0 0 433.327 5.151 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3C)oc2c(C)c1 ZINC000002981837 555872183 /nfs/dbraw/zinc/87/21/83/555872183.db2.gz DSTVQOIPGYHQLJ-UHFFFAOYSA-N 0 0 443.572 6.164 50 0 IKAARN COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000002981890 555872202 /nfs/dbraw/zinc/87/22/02/555872202.db2.gz ZCPGNPPQLHZDKU-UHFFFAOYSA-N 0 0 436.722 6.487 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1Cl ZINC000002980891 555872245 /nfs/dbraw/zinc/87/22/45/555872245.db2.gz CQNKKYLHTWAQIZ-UHFFFAOYSA-N 0 0 441.314 6.679 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1C ZINC000002982763 555873099 /nfs/dbraw/zinc/87/30/99/555873099.db2.gz IXAZPIIXUJGNHQ-UHFFFAOYSA-N 0 0 433.558 5.413 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1C ZINC000002982839 555873104 /nfs/dbraw/zinc/87/31/04/555873104.db2.gz LMMFSYVEFBYSBN-UHFFFAOYSA-N 0 0 431.586 6.015 50 0 IKAARN O=C(NCCSCc1cccc(Cl)c1)c1ccc(CSc2ccccc2)cc1 ZINC000002982788 555873116 /nfs/dbraw/zinc/87/31/16/555873116.db2.gz HCJZODDPCHVWLS-UHFFFAOYSA-N 0 0 428.022 6.296 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccccc1F ZINC000002982722 555873119 /nfs/dbraw/zinc/87/31/19/555873119.db2.gz OOFNRFLSYMRIPZ-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1Cl ZINC000002983015 555873125 /nfs/dbraw/zinc/87/31/25/555873125.db2.gz CJONYAQWZNLSIV-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN COc1ccc2cc(S(=O)(=O)Oc3c(Cl)cc(Cl)c4cccnc43)ccc2c1 ZINC000002982982 555873128 /nfs/dbraw/zinc/87/31/28/555873128.db2.gz VXPYJSPTMZMWDQ-UHFFFAOYSA-N 0 0 434.300 5.471 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002983014 555873151 /nfs/dbraw/zinc/87/31/51/555873151.db2.gz BPCMOVVMTUXOPF-UHFFFAOYSA-N 0 0 438.914 6.919 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000002982656 555873157 /nfs/dbraw/zinc/87/31/57/555873157.db2.gz HRHQBKLJXFIADN-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c1 ZINC000002983657 555873396 /nfs/dbraw/zinc/87/33/96/555873396.db2.gz MTGFHVQYKCHKFT-UHFFFAOYSA-N 0 0 447.516 5.116 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(C)c4)c3)nc2c1 ZINC000002984109 555873417 /nfs/dbraw/zinc/87/34/17/555873417.db2.gz MDMIRXHDAMYBGN-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002984026 555873419 /nfs/dbraw/zinc/87/34/19/555873419.db2.gz XKURGXBLOQZTEC-OAQYLSRUSA-N 0 0 444.556 5.632 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@H](C(C)(C)C)CC2 ZINC000002983985 555873433 /nfs/dbraw/zinc/87/34/33/555873433.db2.gz VWPLYPGVDGYTKY-PKOBYXMFSA-N 0 0 438.637 6.166 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)N2CCCC2)C1 ZINC000002983929 555873435 /nfs/dbraw/zinc/87/34/35/555873435.db2.gz PNCVNXXMKQGJIV-HNNXBMFYSA-N 0 0 445.028 6.041 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@@H](C(C)(C)C)CC2 ZINC000002983983 555873447 /nfs/dbraw/zinc/87/34/47/555873447.db2.gz VWPLYPGVDGYTKY-HKUYNNGSSA-N 0 0 438.637 6.166 50 0 IKAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000002985154 555873828 /nfs/dbraw/zinc/87/38/28/555873828.db2.gz XREKUZMTFJKUQM-UHFFFAOYSA-N 0 0 447.585 5.877 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000002984242 555873831 /nfs/dbraw/zinc/87/38/31/555873831.db2.gz GSFFELQFOIYJPC-UHFFFAOYSA-N 0 0 446.532 5.196 50 0 IKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000002984859 555873838 /nfs/dbraw/zinc/87/38/38/555873838.db2.gz VPUZLNMNCRQKJC-OLZOCXBDSA-N 0 0 434.989 5.057 50 0 IKAARN CCc1ccc(Nc2nnc(-c3cc4cc(Br)ccc4oc3=O)s2)cc1 ZINC000002986293 555873937 /nfs/dbraw/zinc/87/39/37/555873937.db2.gz LSQDPRKWNAWLBP-UHFFFAOYSA-N 0 0 428.311 5.380 50 0 IKAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CC[C@@H](C(C)(C)C)C2 ZINC000002985671 555873981 /nfs/dbraw/zinc/87/39/81/555873981.db2.gz LXISAGGBRNFDBA-CYBMUJFWSA-N 0 0 438.515 6.129 50 0 IKAARN O=P(Nc1cc(Cl)ccc1Cl)(Oc1ccccc1F)Oc1ccccc1F ZINC000002986744 555874340 /nfs/dbraw/zinc/87/43/40/555874340.db2.gz KYTWYJOTOVTRRQ-UHFFFAOYSA-N 0 0 430.174 6.950 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002986385 555874348 /nfs/dbraw/zinc/87/43/48/555874348.db2.gz WWJIACJXXGILAU-UHFFFAOYSA-N 0 0 447.705 6.473 50 0 IKAARN CCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002986904 555874365 /nfs/dbraw/zinc/87/43/65/555874365.db2.gz XJKOKMYMQZEULI-AWEZNQCLSA-N 0 0 433.017 5.945 50 0 IKAARN COc1cc(NC(=O)c2cc(Cl)ccc2Cl)c(OC)cc1NC(=O)c1ccccc1 ZINC000002993170 555875415 /nfs/dbraw/zinc/87/54/15/555875415.db2.gz YXNYYRCDZYVYRC-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN Clc1cc(Br)ccc1OCCOCCn1c2ccccc2c2ccccc21 ZINC000002992175 555875425 /nfs/dbraw/zinc/87/54/25/555875425.db2.gz UCKYKJZBIDEHJM-UHFFFAOYSA-N 0 0 444.756 6.306 50 0 IKAARN CC1(C)C(=O)[C@](C)(CC(=O)c2ccc(F)cc2)C(=O)O[C@@H]1c1ccc(Br)cc1 ZINC000002993200 555875493 /nfs/dbraw/zinc/87/54/93/555875493.db2.gz UHZJZPLJWGIJRO-GCJKJVERSA-N 0 0 447.300 5.061 50 0 IKAARN CCCC[C@H](C(=O)OCC)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002995013 555875984 /nfs/dbraw/zinc/87/59/84/555875984.db2.gz AJXXSRBEEFEXFV-SSDOTTSWSA-N 0 0 427.111 5.018 50 0 IKAARN Cc1ccc(CSCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000002994826 555876021 /nfs/dbraw/zinc/87/60/21/555876021.db2.gz QJGIUSCRARBOFM-UHFFFAOYSA-N 0 0 442.049 6.604 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(Cl)c1 ZINC000002998202 555876627 /nfs/dbraw/zinc/87/66/27/555876627.db2.gz JGTKKMSBBRJTAI-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 ZINC000002998171 555876703 /nfs/dbraw/zinc/87/67/03/555876703.db2.gz UEMVYLGRUYBOAX-KRWDZBQOSA-N 0 0 448.979 5.557 50 0 IKAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010546699 555876925 /nfs/dbraw/zinc/87/69/25/555876925.db2.gz IZSGIYOIVIIOCP-OAQYLSRUSA-N 0 0 434.543 5.586 50 0 IKAARN O=c1c2c3c(sc2nc(SCCCOc2ccccc2)n1-c1ccccc1)CCCC3 ZINC000002998845 555876978 /nfs/dbraw/zinc/87/69/78/555876978.db2.gz ORUVARBWCPJZDC-UHFFFAOYSA-N 0 0 448.613 5.887 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000002998750 555876981 /nfs/dbraw/zinc/87/69/81/555876981.db2.gz VLRCOBAXZAWAMR-UHFFFAOYSA-N 0 0 443.572 6.228 50 0 IKAARN O=C(Nc1ccccc1Br)c1csc(-c2ccccc2)c1Cc1ccccc1 ZINC000002999015 555877246 /nfs/dbraw/zinc/87/72/46/555877246.db2.gz UWRIHKFRVHLMGY-UHFFFAOYSA-N 0 0 448.385 7.021 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000003002602 555877925 /nfs/dbraw/zinc/87/79/25/555877925.db2.gz XXMCUEFHMNCGPJ-UHFFFAOYSA-N 0 0 436.315 5.085 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000003001318 555877941 /nfs/dbraw/zinc/87/79/41/555877941.db2.gz ROHSPMZVXKSPBC-VGMNTSGFSA-N 0 0 441.354 5.257 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(N2CCCN([C@@H](C)c3ccccc3)C2=O)cc1)c1ccccc1 ZINC000034734185 555878727 /nfs/dbraw/zinc/87/87/27/555878727.db2.gz GBAKSADGAOOQEI-HFZDXXHNSA-N 0 0 441.575 6.212 50 0 IKAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)C1=O ZINC000034734469 555879414 /nfs/dbraw/zinc/87/94/14/555879414.db2.gz QQRDNKYNTHHDRU-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN CCOc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 ZINC000003012803 555879625 /nfs/dbraw/zinc/87/96/25/555879625.db2.gz ALAWDGDPEKPIKC-WOJBJXKFSA-N 0 0 444.457 5.503 50 0 IKAARN CCOc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000003012804 555879636 /nfs/dbraw/zinc/87/96/36/555879636.db2.gz ALAWDGDPEKPIKC-PMACEKPBSA-N 0 0 444.457 5.503 50 0 IKAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1Cl ZINC000003012891 555879950 /nfs/dbraw/zinc/87/99/50/555879950.db2.gz SJWWGBKWTLRJPC-CJNGLKHVSA-N 0 0 440.809 5.051 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012855 555880018 /nfs/dbraw/zinc/88/00/18/555880018.db2.gz ABBREFQWGCYLPZ-TZMCWYRMSA-N 0 0 445.228 5.696 50 0 IKAARN Clc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)c2)cc1 ZINC000003014110 555880285 /nfs/dbraw/zinc/88/02/85/555880285.db2.gz VMCSAFMHVWUBLM-UHFFFAOYSA-N 0 0 441.961 9.042 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cc(C)cc(C)c4)C3=O)cc2)c1 ZINC000034734806 555880558 /nfs/dbraw/zinc/88/05/58/555880558.db2.gz ZTUSNSJZHCNXGT-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cc(C)cc(C)c4)C3=O)cc2)c1 ZINC000034734813 555880562 /nfs/dbraw/zinc/88/05/62/555880562.db2.gz YDZOLUDYUKCBPW-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)c4ccccc4F)cc3)C2=O)c1 ZINC000034734787 555880571 /nfs/dbraw/zinc/88/05/71/555880571.db2.gz IKTGZWMFPKNHRF-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)C2=O)c1 ZINC000034734780 555880590 /nfs/dbraw/zinc/88/05/90/555880590.db2.gz OQZGDNMJTVIPJE-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4F)cc3)C2=O)c1 ZINC000034734816 555880608 /nfs/dbraw/zinc/88/06/08/555880608.db2.gz NLBHTWRJYMBMJO-UHFFFAOYSA-N 0 0 449.501 5.666 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1cccc(C(F)(F)F)c1)C3=O ZINC000003017123 555880969 /nfs/dbraw/zinc/88/09/69/555880969.db2.gz GNAAATHBPIXZKU-OAQYLSRUSA-N 0 0 435.401 5.870 50 0 IKAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 ZINC000003017180 555880976 /nfs/dbraw/zinc/88/09/76/555880976.db2.gz WNDCXOYEYPRWQD-YRYLYKBFSA-N 0 0 429.542 5.279 50 0 IKAARN CCc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000003017820 555881090 /nfs/dbraw/zinc/88/10/90/555881090.db2.gz HVEWGJFSYJPELD-CYBMUJFWSA-N 0 0 433.986 5.452 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000003017492 555881192 /nfs/dbraw/zinc/88/11/92/555881192.db2.gz JIGGVDVLNHSVGV-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN O=C(Cc1ccccc1)Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O ZINC000034735014 555881201 /nfs/dbraw/zinc/88/12/01/555881201.db2.gz BWJRSZVNADFNIF-UHFFFAOYSA-N 0 0 433.939 5.354 50 0 IKAARN O=C(/C=C/c1ccccc1)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003019010 555881476 /nfs/dbraw/zinc/88/14/76/555881476.db2.gz HBQWZCZPPVPNGN-FSNWXROXSA-N 0 0 439.553 5.898 50 0 IKAARN COc1ccc(CC(=O)Nc2ccccc2N2CCCN([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000034735121 555881756 /nfs/dbraw/zinc/88/17/56/555881756.db2.gz JJJJSDRESIVOSV-FQEVSTJZSA-N 0 0 443.547 5.270 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000034725154 555881760 /nfs/dbraw/zinc/88/17/60/555881760.db2.gz SRPCXFNYCACXDC-UHFFFAOYSA-N 0 0 428.536 5.362 50 0 IKAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000003039574 555882298 /nfs/dbraw/zinc/88/22/98/555882298.db2.gz PRHSPRPNARICDD-KRWDZBQOSA-N 0 0 446.831 5.519 50 0 IKAARN S=C(NC1CCCCCCC1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000003045589 555882673 /nfs/dbraw/zinc/88/26/73/555882673.db2.gz TXCCMVIRKRKBNG-UHFFFAOYSA-N 0 0 437.078 5.449 50 0 IKAARN Cc1c(Cl)cccc1NCN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O ZINC000003067939 555884526 /nfs/dbraw/zinc/88/45/26/555884526.db2.gz UNDQFAKGKRRGGE-PXNMLYILSA-N 0 0 427.740 6.061 50 0 IKAARN CCCCCC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000003079456 555884736 /nfs/dbraw/zinc/88/47/36/555884736.db2.gz COPZZUSAEINIJH-UHFFFAOYSA-N 0 0 427.962 5.493 50 0 biogenic IKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccc(Br)cc2)c(C(C)C)c1 ZINC000003082428 555884874 /nfs/dbraw/zinc/88/48/74/555884874.db2.gz JOUKEVKCDXKCDX-UHFFFAOYSA-N 0 0 438.431 6.620 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)c3cccc(F)c3)C2=O)c1 ZINC000034735262 555885149 /nfs/dbraw/zinc/88/51/49/555885149.db2.gz CUTHIQOPPXVTRS-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN COc1cccc(CC(=O)Nc2cccc(N3CCCN(Cc4ccccc4C)C3=O)c2)c1 ZINC000034735326 555885467 /nfs/dbraw/zinc/88/54/67/555885467.db2.gz CYOCDWQEAZJUIM-UHFFFAOYSA-N 0 0 443.547 5.017 50 0 IKAARN CCCCCC(=O)N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000003092404 555885476 /nfs/dbraw/zinc/88/54/76/555885476.db2.gz KUZKGJDZLPDFAX-ZDUSSCGKSA-N 0 0 440.120 6.164 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)c1)C1CCCC1 ZINC000034735505 555885499 /nfs/dbraw/zinc/88/54/99/555885499.db2.gz MJAZTQVSBIGUHT-UHFFFAOYSA-N 0 0 446.378 5.954 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)ccc2N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000034735726 555885809 /nfs/dbraw/zinc/88/58/09/555885809.db2.gz SSWHJGCNULZDSN-UHFFFAOYSA-N 0 0 447.510 5.227 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3cccc(F)c3)C2=O)cc1 ZINC000034735829 555886090 /nfs/dbraw/zinc/88/60/90/555886090.db2.gz SHHZMKYJOAIZOU-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)C2CCCC2)c1 ZINC000034735926 555886123 /nfs/dbraw/zinc/88/61/23/555886123.db2.gz YDWQOENZQUTYDL-UHFFFAOYSA-N 0 0 425.960 5.609 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)ccc2N2CCCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000034735819 555886128 /nfs/dbraw/zinc/88/61/28/555886128.db2.gz JMPUMKYAEWGETG-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000034735887 555886147 /nfs/dbraw/zinc/88/61/47/555886147.db2.gz IAYCLGSOKWQZKN-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccccc3C)C2=O)c(NC(=O)c2ccccc2Cl)c1 ZINC000034735958 555886446 /nfs/dbraw/zinc/88/64/46/555886446.db2.gz FLFLIMDGALBWNV-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cc(F)ccc3F)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034736430 555887028 /nfs/dbraw/zinc/88/70/28/555887028.db2.gz WZDINIXNWAIPFN-UHFFFAOYSA-N 0 0 429.511 5.480 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)Cc4cccs4)cc3)C2=O)c1 ZINC000034736771 555887309 /nfs/dbraw/zinc/88/73/09/555887309.db2.gz BOVSZWQVHAAGPT-UHFFFAOYSA-N 0 0 433.577 5.378 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)c4ccc(F)cc4)c3)C2=O)c1 ZINC000034736830 555887339 /nfs/dbraw/zinc/88/73/39/555887339.db2.gz SHBUAUYPLJQFLB-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(NC(=O)OCc4ccccc4)cc3)C2=O)c1 ZINC000034736782 555887390 /nfs/dbraw/zinc/88/73/90/555887390.db2.gz PJHHSZCZBVCNOS-UHFFFAOYSA-N 0 0 443.547 5.884 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(C)c4)cc3)cc2)c1 ZINC000003105993 555887669 /nfs/dbraw/zinc/88/76/69/555887669.db2.gz NWAWTGNZLSEUPB-UHFFFAOYSA-N 0 0 434.539 6.399 50 0 IKAARN CCCCCCSc1nc2ccc(NCN3C(=O)c4ccccc4C3=O)cc2s1 ZINC000003106413 555887715 /nfs/dbraw/zinc/88/77/15/555887715.db2.gz XXSIVRLTZQVMNV-UHFFFAOYSA-N 0 0 425.579 5.634 50 0 IKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2 ZINC000003107860 555887940 /nfs/dbraw/zinc/88/79/40/555887940.db2.gz FQDCNCJOURUKNF-UKRRQHHQSA-N 0 0 442.993 5.829 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(C)ccc2N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000034737277 555888245 /nfs/dbraw/zinc/88/82/45/555888245.db2.gz CRLFTBUPDFOPEG-UHFFFAOYSA-N 0 0 446.526 5.919 50 0 IKAARN CCCCCc1cc2c(cc1O[C@H](C)C(=O)OCC)occ(-c1nc(C)cs1)c2=O ZINC000003111520 555888493 /nfs/dbraw/zinc/88/84/93/555888493.db2.gz BAJMDKVUMQUGAE-OAHLLOKOSA-N 0 0 429.538 5.288 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)NCc4ccccc4)c3)C2=O)cc1C ZINC000034737495 555888558 /nfs/dbraw/zinc/88/85/58/555888558.db2.gz JRZPYVYBUIPILX-UHFFFAOYSA-N 0 0 442.563 5.457 50 0 IKAARN Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000003119668 555888737 /nfs/dbraw/zinc/88/87/37/555888737.db2.gz XLWANAFTRXTIDC-UHFFFAOYSA-N 0 0 443.587 7.062 50 0 IKAARN Cc1cc(S[C@H]2CC(=O)N(c3c(C)cc(C(C)(C)C)cc3C)C2=O)c(C)cc1Cl ZINC000003119180 555888750 /nfs/dbraw/zinc/88/87/50/555888750.db2.gz INBIZZUOIIMVGE-FQEVSTJZSA-N 0 0 430.013 6.295 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000003119861 555888773 /nfs/dbraw/zinc/88/87/73/555888773.db2.gz WIKPLDWPUHFOKG-UHFFFAOYSA-N 0 0 437.996 6.830 50 0 IKAARN O=C(Nc1csc(Cc2c(Cl)cccc2Cl)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000003119926 555889086 /nfs/dbraw/zinc/88/90/86/555889086.db2.gz PJESFQYRCGSHMU-UHFFFAOYSA-N 0 0 447.174 6.992 50 0 IKAARN Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)cc2-c2ccc(O)cc2)cc1 ZINC000003122049 555889137 /nfs/dbraw/zinc/88/91/37/555889137.db2.gz VVRVYXMHQOSQFY-UHFFFAOYSA-N 0 0 446.502 7.177 50 0 IKAARN COc1ccc2ccccc2c1-c1c2ccccc2cc(I)c1OC ZINC000003123178 555889369 /nfs/dbraw/zinc/88/93/69/555889369.db2.gz BTIXVVJCDRWNTH-UHFFFAOYSA-N 0 0 440.280 6.282 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(-c2ccc(Cl)cc2)c1 ZINC000003126614 555889664 /nfs/dbraw/zinc/88/96/64/555889664.db2.gz GEHCEOXENXUHKQ-UHFFFAOYSA-N 0 0 449.803 7.358 50 0 IKAARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000003127852 555889956 /nfs/dbraw/zinc/88/99/56/555889956.db2.gz TYOQUHHAICNGLI-TZIWHRDSSA-N 0 0 442.346 5.553 50 0 IKAARN Cc1cc(C)c(C(=O)Oc2c3cc(C)cc4c3n(c(=O)c2-c2ccccc2)CCC4)c(C)c1 ZINC000003134004 555890498 /nfs/dbraw/zinc/89/04/98/555890498.db2.gz CPHYNIPXRLMXMZ-UHFFFAOYSA-N 0 0 437.539 6.068 50 0 IKAARN CC(=O)c1ccc(OCc2ccccc2)c(C)c1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003138574 555891182 /nfs/dbraw/zinc/89/11/82/555891182.db2.gz WAWFDTVVDKEIMC-UHFFFAOYSA-N 0 0 429.299 6.303 50 0 IKAARN O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1c(F)cccc1F ZINC000003139343 555891462 /nfs/dbraw/zinc/89/14/62/555891462.db2.gz GABGCAJTFNRJIA-UHFFFAOYSA-N 0 0 449.547 7.520 50 0 IKAARN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccccc1-c1ccccc1 ZINC000003144060 555891674 /nfs/dbraw/zinc/89/16/74/555891674.db2.gz RGHZRDXRUYESKW-UHFFFAOYSA-N 0 0 444.446 5.323 50 0 IKAARN COc1ccccc1C(=O)Nc1cc(N2CCCN(Cc3ccccc3)C2=O)ccc1Cl ZINC000034739645 555891996 /nfs/dbraw/zinc/89/19/96/555891996.db2.gz JZXLGIWBCHVPRQ-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN O=C(OCc1cccc(COC(=O)c2ccc(Cl)cc2)c1F)c1ccc(Cl)cc1 ZINC000003171140 555893873 /nfs/dbraw/zinc/89/38/73/555893873.db2.gz MDRNIXXMLXHOKY-UHFFFAOYSA-N 0 0 433.262 5.847 50 0 IKAARN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1)c1ccccc1Br ZINC000003177067 555894533 /nfs/dbraw/zinc/89/45/33/555894533.db2.gz CIPAQZSLGMKRNY-XSFVSMFZSA-N 0 0 448.272 5.013 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1ccc(F)c(Cl)c1 ZINC000003180984 555894813 /nfs/dbraw/zinc/89/48/13/555894813.db2.gz VUHVGQHWVDXMNY-UHFFFAOYSA-N 0 0 449.309 6.263 50 0 IKAARN FC(F)(F)c1cc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)cc(C(F)(F)F)c1 ZINC000003180383 555894834 /nfs/dbraw/zinc/89/48/34/555894834.db2.gz LSKULQWNJXXMQT-UHFFFAOYSA-N 0 0 441.162 5.733 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccccc1Br ZINC000003182372 555895205 /nfs/dbraw/zinc/89/52/05/555895205.db2.gz WLCRHGVJLHAQTG-UHFFFAOYSA-N 0 0 434.384 5.063 50 0 IKAARN Cc1c2c(n(Cc3ccccc3)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 ZINC000003185614 555895407 /nfs/dbraw/zinc/89/54/07/555895407.db2.gz UYBHKCAWYYCSRE-WJOKGBTCSA-N 0 0 427.547 7.661 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3Cl)c(N)c2NC(=O)NC2CCCCC2)cc1 ZINC000034785899 555896187 /nfs/dbraw/zinc/89/61/87/555896187.db2.gz YTTSUXMMEULXTF-UHFFFAOYSA-N 0 0 439.947 5.238 50 0 IKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1)CCCC3 ZINC000003210061 555898598 /nfs/dbraw/zinc/89/85/98/555898598.db2.gz MFWOPJPBWYYPAQ-UHFFFAOYSA-N 0 0 437.512 5.628 50 0 IKAARN O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000003218145 555900122 /nfs/dbraw/zinc/90/01/22/555900122.db2.gz LBCDJCXWIBAHCJ-UHFFFAOYSA-N 0 0 443.553 6.349 50 0 IKAARN Cc1ccc(F)c(CN2CCc3nc(N4CCCC4)nc(Oc4ccccc4C)c3C2)c1 ZINC000034755515 555900397 /nfs/dbraw/zinc/90/03/97/555900397.db2.gz FNRSQOHLKCCJMQ-UHFFFAOYSA-N 0 0 432.543 5.183 50 0 IKAARN CC1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(Cc2cccs2)CC3)CC1 ZINC000034755713 555900834 /nfs/dbraw/zinc/90/08/34/555900834.db2.gz WLVXULPWWRKBQZ-UHFFFAOYSA-N 0 0 438.572 5.264 50 0 IKAARN CC1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(Cc2ccsc2)CC3)CC1 ZINC000034756009 555901049 /nfs/dbraw/zinc/90/10/49/555901049.db2.gz CKLSMMZEQLGBGK-UHFFFAOYSA-N 0 0 438.572 5.264 50 0 IKAARN Fc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccsc2)CC3)cc1F ZINC000034755797 555901193 /nfs/dbraw/zinc/90/11/93/555901193.db2.gz UOQQNASQFGBJDE-UHFFFAOYSA-N 0 0 442.535 5.157 50 0 IKAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N1CCCc2ccccc21 ZINC000003227727 555903761 /nfs/dbraw/zinc/90/37/61/555903761.db2.gz BXPNNTVTARLIDZ-UHFFFAOYSA-N 0 0 445.902 5.472 50 0 IKAARN CCN(C)C(=O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000034761056 555904065 /nfs/dbraw/zinc/90/40/65/555904065.db2.gz XZXORFGXLCDVDB-PDGQHHTCSA-N 0 0 448.466 5.034 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCc2ccco2)cc1 ZINC000003229786 555904828 /nfs/dbraw/zinc/90/48/28/555904828.db2.gz HVDZHWXSTRSEBH-UHFFFAOYSA-N 0 0 428.897 5.341 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3cccc(Cl)c3)CC1)=N2 ZINC000034813756 555910590 /nfs/dbraw/zinc/91/05/90/555910590.db2.gz KTJPPOVMIFDFPJ-UHFFFAOYSA-N 0 0 445.950 5.599 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)Nc3ccccc3F)CC1)=N2 ZINC000034813939 555910622 /nfs/dbraw/zinc/91/06/22/555910622.db2.gz YJXGSHMOIHTCEU-UHFFFAOYSA-N 0 0 430.483 5.168 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccc(C)cc43)CC2)cc1 ZINC000034814365 555911005 /nfs/dbraw/zinc/91/10/05/555911005.db2.gz ZCWHRVMDOBYZAG-UHFFFAOYSA-N 0 0 426.520 5.337 50 0 IKAARN O=C(NCC1CCCCC1)c1cn2cc(-c3ccc(Oc4ccccc4)cc3)ccc2n1 ZINC000034831109 555912291 /nfs/dbraw/zinc/91/22/91/555912291.db2.gz FDNPVEIRYUYOTP-UHFFFAOYSA-N 0 0 425.532 6.104 50 0 IKAARN CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003276091 555912629 /nfs/dbraw/zinc/91/26/29/555912629.db2.gz LGTGENZMPIFAOL-UHFFFAOYSA-N 0 0 438.332 5.360 50 0 IKAARN CCCCCCNC(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1 ZINC000034832845 555912902 /nfs/dbraw/zinc/91/29/02/555912902.db2.gz TWFFGXOVPCAFIH-UHFFFAOYSA-N 0 0 428.536 5.382 50 0 IKAARN COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)nc3cc(-c4ccccc4)nn32)c1 ZINC000034832811 555912922 /nfs/dbraw/zinc/91/29/22/555912922.db2.gz UTFQGZDRLWRSEU-IBGZPJMESA-N 0 0 448.526 5.563 50 0 IKAARN COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)n2nc(C(C)(C)C)cc2n1 ZINC000034833672 555913267 /nfs/dbraw/zinc/91/32/67/555913267.db2.gz CEERDWMYLUVCFO-KRWDZBQOSA-N 0 0 428.536 5.193 50 0 IKAARN O=C(NCc1ccccc1)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833713 555913293 /nfs/dbraw/zinc/91/32/93/555913293.db2.gz HJXFUBZNUPVYJD-UHFFFAOYSA-N 0 0 438.918 5.647 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000003299385 555916262 /nfs/dbraw/zinc/91/62/62/555916262.db2.gz SKJGNRPMXWITHJ-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN CC[C@H](C(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1C1CCOCC1)c1ccccc1 ZINC000034793991 555917184 /nfs/dbraw/zinc/91/71/84/555917184.db2.gz VQUWNYSOIJKNNT-FQEVSTJZSA-N 0 0 449.551 5.120 50 0 IKAARN CC(C)Cc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794662 555917516 /nfs/dbraw/zinc/91/75/16/555917516.db2.gz KSDRZDDEMGXMQJ-UHFFFAOYSA-N 0 0 431.414 5.275 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c2C2CC2)cc1OC ZINC000034795570 555917771 /nfs/dbraw/zinc/91/77/71/555917771.db2.gz IVACITLEHFNMOJ-UHFFFAOYSA-N 0 0 431.414 5.242 50 0 IKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccccc3C(C)C)c2)cc1 ZINC000034797010 555918298 /nfs/dbraw/zinc/91/82/98/555918298.db2.gz HNEJUSLGKDRBAU-AREMUKBSSA-N 0 0 446.572 5.850 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000034797017 555918352 /nfs/dbraw/zinc/91/83/52/555918352.db2.gz BNRCIOAANQICQO-SANMLTNESA-N 0 0 436.621 6.498 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4n3CC3CCCCC3)CC2)cc1 ZINC000034906506 555920307 /nfs/dbraw/zinc/92/03/07/555920307.db2.gz MPQZSPJKKSUYJQ-UHFFFAOYSA-N 0 0 430.596 5.780 50 0 IKAARN C[C@@H](NC(=O)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1)c1ccccc1 ZINC000034906512 555920531 /nfs/dbraw/zinc/92/05/31/555920531.db2.gz XJLVEDBPABPTQW-OAQYLSRUSA-N 0 0 444.623 5.710 50 0 IKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000034907109 555920577 /nfs/dbraw/zinc/92/05/77/555920577.db2.gz ZLBFFAHVIYUDNP-UHFFFAOYSA-N 0 0 430.474 5.035 50 0 IKAARN CCCn1c2ccccc2nc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034907175 555920695 /nfs/dbraw/zinc/92/06/95/555920695.db2.gz FDDIEEYHITUKBG-UHFFFAOYSA-N 0 0 431.367 5.152 50 0 IKAARN COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc3cc(-c4cccc(C)c4)ccc3o2)c1 ZINC000034907840 555921079 /nfs/dbraw/zinc/92/10/79/555921079.db2.gz GEDUVLXBYJDDQN-DEOSSOPVSA-N 0 0 442.515 5.798 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4cccc(OC)c4)ccc3o2)c1 ZINC000034907979 555921215 /nfs/dbraw/zinc/92/12/15/555921215.db2.gz BINYDLXXAJLBDI-HSZRJFAPSA-N 0 0 428.488 5.489 50 0 IKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)Cc4ccc(F)cc4)nc3c2)ccc1F ZINC000034908076 555921383 /nfs/dbraw/zinc/92/13/83/555921383.db2.gz AVMYNVDPBSOPRR-QHCPKHFHSA-N 0 0 432.470 5.988 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4Cl)nc3c2)cc1 ZINC000034908279 555921520 /nfs/dbraw/zinc/92/15/20/555921520.db2.gz NKUGKOVOHZRQSO-HSZRJFAPSA-N 0 0 445.950 6.192 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4cccc(F)c4)ccc3o2)cc1 ZINC000034908548 555921919 /nfs/dbraw/zinc/92/19/19/555921919.db2.gz NGKNSAAEJBAYAN-HSZRJFAPSA-N 0 0 445.494 6.402 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)c(OC)c1 ZINC000034908517 555921923 /nfs/dbraw/zinc/92/19/23/555921923.db2.gz YOTSPSWAPJYRFW-QFIPXVFZSA-N 0 0 443.503 5.881 50 0 IKAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4OC)ccc3o2)c1 ZINC000034908446 555921972 /nfs/dbraw/zinc/92/19/72/555921972.db2.gz YHERKNSAAUUJJZ-JOCHJYFZSA-N 0 0 428.488 5.489 50 0 IKAARN COc1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Nc4ccccc4C)nc3c2)cc1 ZINC000034908627 555922096 /nfs/dbraw/zinc/92/20/96/555922096.db2.gz GJTOKPCSOORHKY-QHCPKHFHSA-N 0 0 427.504 6.181 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1 ZINC000034908659 555922111 /nfs/dbraw/zinc/92/21/11/555922111.db2.gz WUUVYOCDQSNRTC-QFIPXVFZSA-N 0 0 433.458 6.450 50 0 IKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3F)nc2c1 ZINC000034908581 555922149 /nfs/dbraw/zinc/92/21/49/555922149.db2.gz FKROBHZGPKUWME-JOCHJYFZSA-N 0 0 433.458 6.450 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908552 555922154 /nfs/dbraw/zinc/92/21/54/555922154.db2.gz QZAJFPKHGDEDKR-NRFANRHFSA-N 0 0 437.421 6.281 50 0 IKAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908763 555922393 /nfs/dbraw/zinc/92/23/93/555922393.db2.gz WCLSIAGPJYYXKO-QHCPKHFHSA-N 0 0 447.485 6.704 50 0 IKAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908801 555922411 /nfs/dbraw/zinc/92/24/11/555922411.db2.gz BUWMKYVKUDAUPX-NRFANRHFSA-N 0 0 431.467 6.012 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(F)cc4F)ccc3o2)c1C ZINC000034908761 555922458 /nfs/dbraw/zinc/92/24/58/555922458.db2.gz QMMQXGMKAKKNJW-QHCPKHFHSA-N 0 0 447.485 6.759 50 0 IKAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908745 555922485 /nfs/dbraw/zinc/92/24/85/555922485.db2.gz QFKBBWKXSAUJDQ-NRFANRHFSA-N 0 0 449.457 6.151 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Nc4ccccc4F)nc3c2)cc1 ZINC000034908850 555922658 /nfs/dbraw/zinc/92/26/58/555922658.db2.gz HDDMNHVYERVIIR-QHCPKHFHSA-N 0 0 444.510 6.069 50 0 IKAARN CCCCNC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908878 555922678 /nfs/dbraw/zinc/92/26/78/555922678.db2.gz UQXDZJSQLBUDLV-LJQANCHMSA-N 0 0 431.458 6.160 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3cccc(F)c3)nc2c1 ZINC000034908948 555922684 /nfs/dbraw/zinc/92/26/84/555922684.db2.gz QDBNIBCFSMAFNJ-OAQYLSRUSA-N 0 0 431.467 6.012 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909421 555923019 /nfs/dbraw/zinc/92/30/19/555923019.db2.gz YINFAMSVBHSIKG-UHFFFAOYSA-N 0 0 425.113 5.502 50 0 IKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4S(=O)(=O)c4ccccc4)nc3c2)ccc1F ZINC000034909107 555923085 /nfs/dbraw/zinc/92/30/85/555923085.db2.gz IZZVUHWTNPGQTQ-QFIPXVFZSA-N 0 0 436.508 5.468 50 0 IKAARN Cc1cccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)nc2-c2ccccc2)c1 ZINC000034910970 555923358 /nfs/dbraw/zinc/92/33/58/555923358.db2.gz KFXCDWBBEULWDY-UHFFFAOYSA-N 0 0 436.437 5.192 50 0 IKAARN Cc1cccc(-n2nc(C(=O)N[C@@H]3CCCc4ccccc43)nc2CCc2ccccc2)c1 ZINC000034911715 555923659 /nfs/dbraw/zinc/92/36/59/555923659.db2.gz FZOVZYOVNGKEJA-RUZDIDTESA-N 0 0 436.559 5.168 50 0 IKAARN CC[C@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000034859201 555924863 /nfs/dbraw/zinc/92/48/63/555924863.db2.gz UJVHHBDXWUWRRB-SFHVURJKSA-N 0 0 444.616 5.399 50 0 IKAARN CCCCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCC(C)C)c2)cc1 ZINC000034880733 555926266 /nfs/dbraw/zinc/92/62/66/555926266.db2.gz NSEZFXIRRKLYEB-UHFFFAOYSA-N 0 0 449.639 6.048 50 0 IKAARN CCCCN(CCC(=O)Nc1nnc(-c2ccccc2)s1)C(=O)C[C@H](C)CC(C)(C)C ZINC000034881127 555926319 /nfs/dbraw/zinc/92/63/19/555926319.db2.gz QOBOFQPTECWQJI-SFHVURJKSA-N 0 0 444.645 5.625 50 0 IKAARN CCCCNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C)c1 ZINC000034889655 555926968 /nfs/dbraw/zinc/92/69/68/555926968.db2.gz ZMASBSKSYPZDMF-AREMUKBSSA-N 0 0 442.578 6.575 50 0 IKAARN CC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C)c1 ZINC000034889650 555927026 /nfs/dbraw/zinc/92/70/26/555927026.db2.gz VMQTUZXKXYAMLD-RLWLMLJZSA-N 0 0 442.578 6.574 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003364180 555927263 /nfs/dbraw/zinc/92/72/63/555927263.db2.gz TVKCCKLCOIDHCF-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc2oc1-c1ccccc1 ZINC000003368620 555927601 /nfs/dbraw/zinc/92/76/01/555927601.db2.gz DWWYROLTQNAADG-UHFFFAOYSA-N 0 0 449.528 5.694 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000003366212 555927659 /nfs/dbraw/zinc/92/76/59/555927659.db2.gz VPYRUYAPLHGGPI-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1cccc(F)c1)C2 ZINC000034898516 555928258 /nfs/dbraw/zinc/92/82/58/555928258.db2.gz KKWWAEWHHDGSRH-ILBGXUMGSA-N 0 0 439.534 5.466 50 0 IKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000034915084 555929963 /nfs/dbraw/zinc/92/99/63/555929963.db2.gz JPCRMAKROLLBEO-UHFFFAOYSA-N 0 0 440.425 5.981 50 0 IKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)Nc3ccc(Cl)cc3Cl)n2c1 ZINC000034915101 555930008 /nfs/dbraw/zinc/93/00/08/555930008.db2.gz WXXIAJRORUTHSY-UHFFFAOYSA-N 0 0 429.282 6.400 50 0 IKAARN Cc1cccc(CO[C@H](CN2CCN(C(=O)c3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000034915541 555930302 /nfs/dbraw/zinc/93/03/02/555930302.db2.gz ZFYPMKXUYNFRPP-AREMUKBSSA-N 0 0 448.994 5.364 50 0 IKAARN Cc1cccc(CO[C@@H](CN2CCN(C(=O)c3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000034915540 555930366 /nfs/dbraw/zinc/93/03/66/555930366.db2.gz ZFYPMKXUYNFRPP-SANMLTNESA-N 0 0 448.994 5.364 50 0 IKAARN CCCCCCC(=O)Nc1ccc(N2CCCC[C@@H]2C)c(S(=O)(=O)N[C@H](C)CC)c1 ZINC000034919728 555931139 /nfs/dbraw/zinc/93/11/39/555931139.db2.gz RTFJOLISWVDGQD-MOPGFXCFSA-N 0 0 437.650 5.051 50 0 IKAARN CCCC[C@H](CC)C(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)CC)cc1 ZINC000034921460 555931824 /nfs/dbraw/zinc/93/18/24/555931824.db2.gz OTHNTUXTGPKBGI-NRFANRHFSA-N 0 0 449.588 5.299 50 0 IKAARN CCCCCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000034921693 555932041 /nfs/dbraw/zinc/93/20/41/555932041.db2.gz PUOGWBYHOHDSMN-QFIPXVFZSA-N 0 0 445.648 5.215 50 0 IKAARN CCCCCC(=O)Nc1ccc(N(C)C)c(CN(CC(C)C)C(=O)c2cccc(C)c2)c1 ZINC000034921526 555932139 /nfs/dbraw/zinc/93/21/39/555932139.db2.gz ZQPPBUVSIZMVDS-UHFFFAOYSA-N 0 0 437.628 5.878 50 0 IKAARN COc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2Nc2cccc(OC)c2)c1 ZINC000034922023 555932324 /nfs/dbraw/zinc/93/23/24/555932324.db2.gz LEINMWVOWQMCKQ-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN COc1cccc(NC(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccco2)c1 ZINC000034922391 555932600 /nfs/dbraw/zinc/93/26/00/555932600.db2.gz FDGICZGODBBBGX-UHFFFAOYSA-N 0 0 433.464 5.186 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000003421918 555933566 /nfs/dbraw/zinc/93/35/66/555933566.db2.gz MMAUWLFWZZZLGH-UHFFFAOYSA-N 0 0 448.979 6.016 50 0 IKAARN Cc1cccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)c1C ZINC000034927434 555933602 /nfs/dbraw/zinc/93/36/02/555933602.db2.gz WWPGYRSRIKPPDA-UHFFFAOYSA-N 0 0 429.973 5.061 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2Cc2ccco2)c1 ZINC000003440066 555934176 /nfs/dbraw/zinc/93/41/76/555934176.db2.gz DPDHUCKFEIQVJB-UHFFFAOYSA-N 0 0 439.924 5.223 50 0 IKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3ccc(C(F)(F)F)cc3)n2c1 ZINC000034913225 555934510 /nfs/dbraw/zinc/93/45/10/555934510.db2.gz PTEJVYGMNRFBCA-UHFFFAOYSA-N 0 0 429.829 6.234 50 0 IKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)c1ccccc1Br ZINC000034912716 555934572 /nfs/dbraw/zinc/93/45/72/555934572.db2.gz SZPJSPLPOCWYSW-UHFFFAOYSA-N 0 0 436.309 5.333 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(Br)cc3)sc2c1Cl ZINC000003463716 555935946 /nfs/dbraw/zinc/93/59/46/555935946.db2.gz VACMNPQTQNFOCT-UHFFFAOYSA-N 0 0 431.138 6.232 50 0 IKAARN COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc1 ZINC000003582278 555939762 /nfs/dbraw/zinc/93/97/62/555939762.db2.gz NVEBFVNGJYPUGI-UHFFFAOYSA-N 0 0 438.409 5.214 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccc(I)cc1)oc1ccccc12 ZINC000003617000 555941096 /nfs/dbraw/zinc/94/10/96/555941096.db2.gz WEDMDMLHNDVLGP-UHFFFAOYSA-N 0 0 443.240 5.452 50 0 IKAARN Cc1ccccc1Cc1c(C)nc2nc(SCc3ccc(F)cc3Cl)nn2c1C ZINC000003631639 555941789 /nfs/dbraw/zinc/94/17/89/555941789.db2.gz KZVRKWPOISPRAD-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccccc1 ZINC000003635701 555942393 /nfs/dbraw/zinc/94/23/93/555942393.db2.gz KDCMTSZGCGCAQL-UHFFFAOYSA-N 0 0 437.561 5.614 50 0 IKAARN Cc1cccc(CSc2nc3nc(C)c(Cc4ccc(F)cc4Cl)c(C)n3n2)c1 ZINC000003638308 555942757 /nfs/dbraw/zinc/94/27/57/555942757.db2.gz VOGWEFIHBMSIDM-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN Cc1nc2nc(SCc3ccccc3Cl)nn2c(C)c1Cc1ccccc1Cl ZINC000003638205 555942765 /nfs/dbraw/zinc/94/27/65/555942765.db2.gz CFROUWMFWKPNDO-UHFFFAOYSA-N 0 0 429.376 5.931 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)Nc1ccc(Br)cc1-2 ZINC000003640776 555943007 /nfs/dbraw/zinc/94/30/07/555943007.db2.gz GVHWWFAUNBYNCF-KRWDZBQOSA-N 0 0 429.343 5.225 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1cc(C)ccc1C)N(C(C)=O)c1ccccc1-2 ZINC000003653289 555943903 /nfs/dbraw/zinc/94/39/03/555943903.db2.gz ONXIOSMXNANEOV-XMMPIXPASA-N 0 0 448.592 5.882 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@@H](/C=C/c2ccco2)Nc2ccccc2-3)cc1 ZINC000003653331 555943918 /nfs/dbraw/zinc/94/39/18/555943918.db2.gz MMFZNGNWMWKGIM-SGWGQVFISA-N 0 0 448.935 5.921 50 0 IKAARN O=C1NC(=Cc2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1 ZINC000003652686 555943925 /nfs/dbraw/zinc/94/39/25/555943925.db2.gz VQKUEFYNJQRLEW-LDADJPATSA-N 0 0 431.801 5.247 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccccc2C)Nc2ccccc2-3)cc1 ZINC000003653277 555943944 /nfs/dbraw/zinc/94/39/44/555943944.db2.gz VACNVWOJQIWGNL-QHCPKHFHSA-N 0 0 426.545 5.951 50 0 IKAARN Oc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1 ZINC000003653379 555944265 /nfs/dbraw/zinc/94/42/65/555944265.db2.gz SYHJGLSHMUSVLX-NRFANRHFSA-N 0 0 448.935 5.693 50 0 IKAARN Cc1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003662398 555944758 /nfs/dbraw/zinc/94/47/58/555944758.db2.gz FBUPPAFHLCWTDY-UHFFFAOYSA-N 0 0 428.557 6.780 50 0 IKAARN CCCCCCC(=O)Oc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O ZINC000003666876 555945089 /nfs/dbraw/zinc/94/50/89/555945089.db2.gz HJOIMPRRCBBXGM-UHFFFAOYSA-N 0 0 430.298 5.126 50 0 IKAARN CCCCOc1ccc([C@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000003668660 555945214 /nfs/dbraw/zinc/94/52/14/555945214.db2.gz HYJKTEOFDOGPGQ-HHHXNRCGSA-N 0 0 426.560 6.566 50 0 IKAARN CCc1ccc(NC2=C[C@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000003670066 555945371 /nfs/dbraw/zinc/94/53/71/555945371.db2.gz XVYDULKZBDZJAA-MUUNZHRXSA-N 0 0 438.615 7.193 50 0 IKAARN CCCCc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(Br)cc1)N2 ZINC000003672750 555945699 /nfs/dbraw/zinc/94/56/99/555945699.db2.gz NMIDGHGSVHONLN-FGZHOGPDSA-N 0 0 430.386 6.589 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000003683265 555945920 /nfs/dbraw/zinc/94/59/20/555945920.db2.gz CNXNBUFEMBKGGV-UHFFFAOYSA-N 0 0 425.142 7.147 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)sc2c1 ZINC000003768137 555946072 /nfs/dbraw/zinc/94/60/72/555946072.db2.gz NPPKMQHIZUINIE-UHFFFAOYSA-N 0 0 446.903 6.098 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)oc2cc1C ZINC000003770746 555946308 /nfs/dbraw/zinc/94/63/08/555946308.db2.gz REAHURGPBHGFFH-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)cc1C ZINC000003770809 555946367 /nfs/dbraw/zinc/94/63/67/555946367.db2.gz FXLQZKBNPVBHHI-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000003877071 555950310 /nfs/dbraw/zinc/95/03/10/555950310.db2.gz NIJXXEKLLYSRGC-KGENOOAVSA-N 0 0 432.321 5.562 50 0 IKAARN C[C@@H]1CCc2c(sc3nc(CSc4ccc(Br)cc4)nc(Cl)c23)C1 ZINC000003886948 555950928 /nfs/dbraw/zinc/95/09/28/555950928.db2.gz YWSZVLSMCGALIJ-SNVBAGLBSA-N 0 0 439.831 6.524 50 0 IKAARN C[C@H]1CCc2c(sc3nc(CSc4ccc(Br)cc4)nc(Cl)c23)C1 ZINC000003886949 555950939 /nfs/dbraw/zinc/95/09/39/555950939.db2.gz YWSZVLSMCGALIJ-JTQLQIEISA-N 0 0 439.831 6.524 50 0 IKAARN CCCCCCOc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000004040146 555954836 /nfs/dbraw/zinc/95/48/36/555954836.db2.gz NRIFRLCNOLADAH-BMRADRMJSA-N 0 0 437.624 7.553 50 0 IKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000004065871 555957762 /nfs/dbraw/zinc/95/77/62/555957762.db2.gz ZMFWBCOBZOIKHI-OVCLIPMQSA-N 0 0 433.305 5.327 50 0 IKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccco2)on1 ZINC000004110452 555963390 /nfs/dbraw/zinc/96/33/90/555963390.db2.gz FVMJQEPDTRIYEQ-UHFFFAOYSA-N 0 0 431.279 5.355 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1 ZINC000004142117 555967757 /nfs/dbraw/zinc/96/77/57/555967757.db2.gz DVSNLBRGCCNCNQ-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1 ZINC000004143788 555967902 /nfs/dbraw/zinc/96/79/02/555967902.db2.gz SWAFIHWZDFJQOS-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 aggregator IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 ZINC000004163411 555970601 /nfs/dbraw/zinc/97/06/01/555970601.db2.gz DKNPZRUGYWSHSX-UAOJZALGSA-N 0 0 444.457 5.157 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004174586 555973010 /nfs/dbraw/zinc/97/30/10/555973010.db2.gz COHHINVPZAHRJL-JKHABCDFSA-N 0 0 449.547 5.504 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004174591 555973038 /nfs/dbraw/zinc/97/30/38/555973038.db2.gz COHHINVPZAHRJL-XVWGUNQUSA-N 0 0 449.547 5.504 50 0 biogenic IKAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004174599 555973062 /nfs/dbraw/zinc/97/30/62/555973062.db2.gz COHHINVPZAHRJL-UQJUWTFNSA-N 0 0 449.547 5.504 50 0 IKAARN O=C(c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)oc1ccccc12 ZINC000004256517 555979363 /nfs/dbraw/zinc/97/93/63/555979363.db2.gz RFCAOZOFZUFIJN-UHFFFAOYSA-N 0 0 446.462 5.487 50 0 IKAARN C[C@@H](Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)C(=O)OC1CCCCC1 ZINC000004289773 555983108 /nfs/dbraw/zinc/98/31/08/555983108.db2.gz VFJBVONYRVCFGH-OAHLLOKOSA-N 0 0 426.896 5.757 50 0 biogenic IKAARN C[C@H](Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)C(=O)OC1CCCCC1 ZINC000004289772 555983112 /nfs/dbraw/zinc/98/31/12/555983112.db2.gz VFJBVONYRVCFGH-HNNXBMFYSA-N 0 0 426.896 5.757 50 0 biogenic IKAARN CCOc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)cc1 ZINC000004290827 555983449 /nfs/dbraw/zinc/98/34/49/555983449.db2.gz GPBHJQAEHJMFHH-UHFFFAOYSA-N 0 0 431.344 5.879 50 0 IKAARN Cc1cccc(Oc2coc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3c2=O)c1 ZINC000004290440 555983508 /nfs/dbraw/zinc/98/35/08/555983508.db2.gz YALCPWBYZQETDE-UHFFFAOYSA-N 0 0 440.407 5.219 50 0 IKAARN CC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000004426978 555994249 /nfs/dbraw/zinc/99/42/49/555994249.db2.gz XKIKEDHSYHJMDH-XMMPIXPASA-N 0 0 446.963 5.850 50 0 IKAARN CSc1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000004427116 555994277 /nfs/dbraw/zinc/99/42/77/555994277.db2.gz MUFYHRMJZYEPOZ-UHFFFAOYSA-N 0 0 428.439 5.389 50 0 IKAARN CC(C)CN(CC(C)C)C(=O)[C@H]1CCCC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000004521644 555999323 /nfs/dbraw/zinc/99/93/23/555999323.db2.gz QGKITQHJONXIQV-IZZNHLLZSA-N 0 0 446.720 6.427 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc34)c2C1 ZINC000004522046 555999401 /nfs/dbraw/zinc/99/94/01/555999401.db2.gz PUBFPGMRGYRKEK-GOSISDBHSA-N 0 0 447.600 6.928 50 0 IKAARN CCCCCc1ccc(OCCCCN2C(=O)c3ccccc3C2=O)c(CCCCC)c1 ZINC000004530581 555999566 /nfs/dbraw/zinc/99/95/66/555999566.db2.gz CEXSDXMDNLOCGO-UHFFFAOYSA-N 0 0 435.608 6.607 50 0 IKAARN Cc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)[C@@H]2CCCCCCC2=O)cc1 ZINC000004531607 555999606 /nfs/dbraw/zinc/99/96/06/555999606.db2.gz NBFXIWLPQNJIRE-FCHUYYIVSA-N 0 0 427.382 6.654 50 0 IKAARN O=C(C[C@H](c1ccccc1Br)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531631 555999856 /nfs/dbraw/zinc/99/98/56/555999856.db2.gz RWFMPPSACVDGKM-VQTJNVASSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@H](c1cccc(Cl)c1)[C@H]1CCCCCCC1=O)c1ccccc1Br ZINC000004531639 555999912 /nfs/dbraw/zinc/99/99/12/555999912.db2.gz PUUUZEBCVYVNKE-UYAOXDASSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@@H](c1cccc(Br)c1)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531629 555999962 /nfs/dbraw/zinc/99/99/62/555999962.db2.gz OEYRDILRYYMBQV-SFTDATJTSA-N 0 0 447.800 6.999 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 ZINC000004646524 556004956 /nfs/dbraw/zinc/00/49/56/556004956.db2.gz GPUFBDGDSHCGJK-UHOSZYNNSA-N 0 0 425.594 5.818 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 ZINC000004646521 556005004 /nfs/dbraw/zinc/00/50/04/556005004.db2.gz GPUFBDGDSHCGJK-BHIYHBOVSA-N 0 0 425.594 5.818 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004657040 556005288 /nfs/dbraw/zinc/00/52/88/556005288.db2.gz QUCBRXBTRUSUBQ-ZEQRLZLVSA-N 0 0 434.624 5.753 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004677367 556005929 /nfs/dbraw/zinc/00/59/29/556005929.db2.gz WTTWEJPFWWTSSA-UHFFFAOYSA-N 0 0 436.640 6.002 50 0 IKAARN COc1ccc(Nc2ncc(C(=O)Nc3nc4ccccc4s3)c3ccccc23)cc1 ZINC000004734186 556008857 /nfs/dbraw/zinc/00/88/57/556008857.db2.gz FQOAIIYLZUOLOX-UHFFFAOYSA-N 0 0 426.501 5.849 50 0 IKAARN COc1ccc(Nc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 ZINC000004734197 556008919 /nfs/dbraw/zinc/00/89/19/556008919.db2.gz HUIVTFCXBLTBNX-UHFFFAOYSA-N 0 0 437.421 6.258 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc2n1 ZINC000004757361 556009774 /nfs/dbraw/zinc/00/97/74/556009774.db2.gz LQQXRZZZECKLBL-HNNXBMFYSA-N 0 0 446.378 6.102 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2n1 ZINC000004757334 556009810 /nfs/dbraw/zinc/00/98/10/556009810.db2.gz BPOHUKMTHHMIIK-UHFFFAOYSA-N 0 0 446.776 6.058 50 0 IKAARN CCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Br)cc1 ZINC000004767997 556010846 /nfs/dbraw/zinc/01/08/46/556010846.db2.gz XGKWZFUPQYYRKA-HXUWFJFHSA-N 0 0 440.341 5.431 50 0 IKAARN Cc1ccc(NC(=O)N(CC(C)C)CC(C)C)cc1NC(=O)N(CC(C)C)CC(C)C ZINC000004776152 556011301 /nfs/dbraw/zinc/01/13/01/556011301.db2.gz UPJHJRFUKICDLK-UHFFFAOYSA-N 0 0 432.653 6.287 50 0 IKAARN COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1C12CC3CC(CC(C3)C1)C2 ZINC000004788707 556011832 /nfs/dbraw/zinc/01/18/32/556011832.db2.gz WBBQWOQVHLJPNB-UHFFFAOYSA-N 0 0 428.576 5.617 50 0 IKAARN COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000004788436 556011911 /nfs/dbraw/zinc/01/19/11/556011911.db2.gz QPFCCXZTTIIPHR-UHFFFAOYSA-N 0 0 429.604 6.183 50 0 IKAARN FC(F)(F)c1cc(-c2cccs2)nc(-n2c(Cc3ccccc3)nc3ccccc32)n1 ZINC000004787996 556011915 /nfs/dbraw/zinc/01/19/15/556011915.db2.gz UKQORTAGOLYKCO-UHFFFAOYSA-N 0 0 436.462 6.154 50 0 IKAARN CCCC[C@@H]1CCCC[C@@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004807999 556012826 /nfs/dbraw/zinc/01/28/26/556012826.db2.gz JOJQEUXIVOQZQP-RTWAWAEBSA-N 0 0 434.646 5.413 50 0 IKAARN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000004828197 556013976 /nfs/dbraw/zinc/01/39/76/556013976.db2.gz XYJUBXQNPJCOJU-KAYWLYCHSA-N 0 0 425.528 5.912 50 0 IKAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1C=C[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000022649718 556016920 /nfs/dbraw/zinc/01/69/20/556016920.db2.gz FHTLEAXCLVZMMQ-BPXKWBHBSA-N 0 0 429.919 5.117 50 0 IKAARN Cc1c(C(=O)OCCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911809 556020581 /nfs/dbraw/zinc/02/05/81/556020581.db2.gz LTSJGUAWIHMBMZ-OAQYLSRUSA-N 0 0 429.560 5.933 50 0 IKAARN COC(C)(C)[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911220 556020598 /nfs/dbraw/zinc/02/05/98/556020598.db2.gz MUICXTJRJWBWTP-AEFFLSMTSA-N 0 0 425.569 5.504 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004912676 556020868 /nfs/dbraw/zinc/02/08/68/556020868.db2.gz HGLBUAJKABWNRX-FQEVSTJZSA-N 0 0 429.560 5.992 50 0 IKAARN CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000004977876 556025329 /nfs/dbraw/zinc/02/53/29/556025329.db2.gz MOBOGYJNCCUCMG-UHFFFAOYSA-N 0 0 426.560 5.968 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccccc1 ZINC000004978966 556025392 /nfs/dbraw/zinc/02/53/92/556025392.db2.gz FNAMBUCNRIUZTG-OAQYLSRUSA-N 0 0 425.532 5.416 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000004991575 556025897 /nfs/dbraw/zinc/02/58/97/556025897.db2.gz BVBOESFFOAOBDG-UHFFFAOYSA-N 0 0 430.514 5.411 50 0 IKAARN Cc1ccccc1NC(=O)CC12CC3CC(C1)CC(CC(=O)Nc1ccccc1C)(C3)C2 ZINC000005101171 556032280 /nfs/dbraw/zinc/03/22/80/556032280.db2.gz DHGABLZAABCUGP-UHFFFAOYSA-N 0 0 430.592 6.247 50 0 IKAARN CCCCCOc1ccc(-c2n[nH]c(=O)cc2NCc2ccc(Cl)cc2Cl)cc1 ZINC000005313957 556044768 /nfs/dbraw/zinc/04/47/68/556044768.db2.gz MVVKFYVZNDLDCW-UHFFFAOYSA-N 0 0 432.351 5.925 50 0 IKAARN Brc1ccc(-c2csc3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1 ZINC000005313462 556044826 /nfs/dbraw/zinc/04/48/26/556044826.db2.gz DGRXWURENXSEAZ-UHFFFAOYSA-N 0 0 431.358 7.159 50 0 IKAARN COC(=O)[C@H](c1ccccc1)[C@@H]1C=C[C@H](NC(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000022653889 556051991 /nfs/dbraw/zinc/05/19/91/556051991.db2.gz IUPWOGAGAVRLDL-QIIPPGSGSA-N 0 0 438.738 5.278 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccc(C)cc1)oc(=O)cc2-c1ccccc1 ZINC000005554515 556059033 /nfs/dbraw/zinc/05/90/33/556059033.db2.gz GPLPGYNVKKECLX-UHFFFAOYSA-N 0 0 426.556 7.470 50 0 IKAARN O=C(NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1cc2ccccc2o1 ZINC000002220068 556061120 /nfs/dbraw/zinc/06/11/20/556061120.db2.gz AIUAOORWJZNDQD-UHFFFAOYSA-N 0 0 449.919 5.465 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(CC(C)C)C(=O)c2ccc3ccccc3n2)CCCC1 ZINC000002275120 556069590 /nfs/dbraw/zinc/06/95/90/556069590.db2.gz VJYLWJJYDCNWAX-UHFFFAOYSA-N 0 0 443.591 5.901 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000005949602 556070764 /nfs/dbraw/zinc/07/07/64/556070764.db2.gz VCWRTYSELLQTOI-CUFLOJEWSA-N 0 0 438.571 6.634 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006142315 556077457 /nfs/dbraw/zinc/07/74/57/556077457.db2.gz PPZXBMJIONZCEU-STZFKDTASA-N 0 0 425.315 5.711 50 0 IKAARN FC(F)(F)c1ccccc1N1C(=S)N=NC1COc1ccccc1-c1ccccc1 ZINC000006190415 556079989 /nfs/dbraw/zinc/07/99/89/556079989.db2.gz WIJYBOFHXLZRDB-UHFFFAOYSA-N 0 0 427.451 5.821 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2-c2ccccc2)cc1 ZINC000006246587 556082888 /nfs/dbraw/zinc/08/28/88/556082888.db2.gz WYULSXRVCBYZKO-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000006297326 556084290 /nfs/dbraw/zinc/08/42/90/556084290.db2.gz KFQWIUITCWQYES-PKNBQFBNSA-N 0 0 435.530 5.091 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000006352135 556085559 /nfs/dbraw/zinc/08/55/59/556085559.db2.gz STGNXXZMBCTOGP-UHFFFAOYSA-N 0 0 430.533 5.146 50 0 IKAARN Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3cccc(Cn4cccn4)c3)c2c1 ZINC000006429654 556087221 /nfs/dbraw/zinc/08/72/21/556087221.db2.gz POFHIDIKJRPIQU-UHFFFAOYSA-N 0 0 433.515 5.411 50 0 IKAARN Cc1cc2nc3s/c(=C/c4cn(Cc5ccccc5)c5ccccc45)c(=O)n3c2cc1C ZINC000006430541 556087229 /nfs/dbraw/zinc/08/72/29/556087229.db2.gz BUAQWNLWPANXOM-AFUMVMLFSA-N 0 0 435.552 5.077 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000006444793 556087856 /nfs/dbraw/zinc/08/78/56/556087856.db2.gz RECBXZKDZRLXGY-TZIWHRDSSA-N 0 0 440.728 5.740 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1sc2ccccc2c1Cl ZINC000006457484 556089362 /nfs/dbraw/zinc/08/93/62/556089362.db2.gz FITZGVYMSHQCMF-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN Cc1ccc2c(nc3s/c(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)c(=O)n23)c1C ZINC000006459877 556089623 /nfs/dbraw/zinc/08/96/23/556089623.db2.gz VKVMKKPBXZDVIP-ODLFYWEKSA-N 0 0 440.446 5.353 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCOc1ccccc1 ZINC000006460651 556089658 /nfs/dbraw/zinc/08/96/58/556089658.db2.gz LAYYDIYDXDTBNT-UHFFFAOYSA-N 0 0 429.545 5.031 50 0 IKAARN O=c1/c(=C\c2ccccc2OCc2cccc3ccccc32)sc2nc3ccccc3n12 ZINC000006460789 556089993 /nfs/dbraw/zinc/08/99/93/556089993.db2.gz UDKRDUSEZAPGNP-PCLIKHOPSA-N 0 0 434.520 5.189 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000006460754 556090035 /nfs/dbraw/zinc/09/00/35/556090035.db2.gz GISAALSCJVTNEX-UHFFFAOYSA-N 0 0 437.755 5.831 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002427200 556094861 /nfs/dbraw/zinc/09/48/61/556094861.db2.gz XANTWXWLRMVTOY-UHFFFAOYSA-N 0 0 444.918 5.966 50 0 IKAARN O=C(Oc1c2ccccc2oc(=O)c1Cc1ccccc1)c1ccccc1Br ZINC000002452830 556097210 /nfs/dbraw/zinc/09/72/10/556097210.db2.gz PVAUAXMGPSIQFH-UHFFFAOYSA-N 0 0 435.273 5.366 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000006601761 556097718 /nfs/dbraw/zinc/09/77/18/556097718.db2.gz FZRVRLNSLVYLIC-UPVQGACJSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1cccc2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(=O)oc21 ZINC000006631348 556099274 /nfs/dbraw/zinc/09/92/74/556099274.db2.gz HCGRTLIKEFBDJC-UHFFFAOYSA-N 0 0 425.509 6.649 50 0 IKAARN Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br ZINC000006767157 556103652 /nfs/dbraw/zinc/10/36/52/556103652.db2.gz SWDDXDNDEDDUJW-UHFFFAOYSA-N 0 0 426.097 5.972 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000002549857 556104714 /nfs/dbraw/zinc/10/47/14/556104714.db2.gz WTNADNOHQOTPAJ-UHFFFAOYSA-N 0 0 447.265 6.821 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccco3)C2)cc1 ZINC000006924950 556110854 /nfs/dbraw/zinc/11/08/54/556110854.db2.gz XDNKPCQDRHHQNH-OAQYLSRUSA-N 0 0 435.936 6.421 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000007059470 556114058 /nfs/dbraw/zinc/11/40/58/556114058.db2.gz CFFDPDSOSCFBFQ-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000007059483 556114215 /nfs/dbraw/zinc/11/42/15/556114215.db2.gz QKMQPWRNLSJQFC-GHTZIAJQSA-N 0 0 441.350 5.762 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)c1 ZINC000002624604 556114696 /nfs/dbraw/zinc/11/46/96/556114696.db2.gz QZKYDLJTOHDMKW-UHFFFAOYSA-N 0 0 434.970 5.602 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cc2ccccc2o1 ZINC000010587016 556116401 /nfs/dbraw/zinc/11/64/01/556116401.db2.gz QJBQRWATAMQVTA-UHFFFAOYSA-N 0 0 430.554 6.902 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000002662955 556118285 /nfs/dbraw/zinc/11/82/85/556118285.db2.gz XPAWPJONISTOAJ-UHFFFAOYSA-N 0 0 445.730 5.143 50 0 IKAARN CCCCNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000002678639 556118682 /nfs/dbraw/zinc/11/86/82/556118682.db2.gz PQAGPEFZDHXHBT-MOHJPFBDSA-N 0 0 448.950 5.820 50 0 IKAARN CC(C)CNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000002678637 556118689 /nfs/dbraw/zinc/11/86/89/556118689.db2.gz BWNSSQOIWPOODI-JLPGSUDCSA-N 0 0 448.950 5.675 50 0 IKAARN Cc1sc2ncnc(SCC(=O)c3ccc(F)cc3)c2c1-c1ccc(Cl)cc1 ZINC000002679514 556118694 /nfs/dbraw/zinc/11/86/94/556118694.db2.gz KVECSVGPCZORLN-UHFFFAOYSA-N 0 0 428.941 6.434 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002680321 556118707 /nfs/dbraw/zinc/11/87/07/556118707.db2.gz HMUCGOWWDKQOPS-UHFFFAOYSA-N 0 0 430.529 6.009 50 0 IKAARN COc1ccc(CCNc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)cc1 ZINC000002679495 556118770 /nfs/dbraw/zinc/11/87/70/556118770.db2.gz KLKWQRWAOLQMEM-UHFFFAOYSA-N 0 0 437.568 6.689 50 0 IKAARN O=C(c1cc(Cl)ccc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002685919 556118908 /nfs/dbraw/zinc/11/89/08/556118908.db2.gz ZMGDTOSRMXOYPC-NRFANRHFSA-N 0 0 445.733 5.831 50 0 IKAARN Fc1ccccc1Cn1cc2c(-c3ccc(Cl)cc3)nnc-2c2cc3c(cc21)OCO3 ZINC000002688446 556119329 /nfs/dbraw/zinc/11/93/29/556119329.db2.gz VHMUICDZYQHWFB-UHFFFAOYSA-N 0 0 431.854 5.773 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(F)cc4)cc2-3)cc1 ZINC000002689454 556119735 /nfs/dbraw/zinc/11/97/35/556119735.db2.gz PSBJMQJPUGRCDK-UHFFFAOYSA-N 0 0 427.479 5.798 50 0 IKAARN COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3ccc(F)cc3)c2cc1OC ZINC000002691941 556120225 /nfs/dbraw/zinc/12/02/25/556120225.db2.gz YZAVBVQZXYHIML-UHFFFAOYSA-N 0 0 447.897 6.061 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccc(OC)cc1 ZINC000002692226 556120473 /nfs/dbraw/zinc/12/04/73/556120473.db2.gz NBTBNZJDPOQSCM-UHFFFAOYSA-N 0 0 439.515 5.667 50 0 IKAARN CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002693153 556120597 /nfs/dbraw/zinc/12/05/97/556120597.db2.gz VOXRZVOYKMMDOR-UHFFFAOYSA-N 0 0 449.503 5.009 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCO5)cc1 ZINC000002693389 556120814 /nfs/dbraw/zinc/12/08/14/556120814.db2.gz IVORSMXIHLJNHG-UHFFFAOYSA-N 0 0 441.462 5.518 50 0 IKAARN Cc1ccccc1Cn1cc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)c2cc(F)ccc21 ZINC000002694386 556121126 /nfs/dbraw/zinc/12/11/26/556121126.db2.gz BYTDIEBPPAGUPD-UHFFFAOYSA-N 0 0 449.547 5.454 50 0 IKAARN Fc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)c1 ZINC000002690586 556121673 /nfs/dbraw/zinc/12/16/73/556121673.db2.gz XMGCWMBRAPEOFZ-UHFFFAOYSA-N 0 0 431.854 5.773 50 0 IKAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCO5)cc1 ZINC000002690324 556121678 /nfs/dbraw/zinc/12/16/78/556121678.db2.gz XKTPEYKRMHHFAF-UHFFFAOYSA-N 0 0 427.435 5.128 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4F)cc2-3)cc1 ZINC000002691317 556122083 /nfs/dbraw/zinc/12/20/83/556122083.db2.gz YAMWDMMDJAQNLW-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002704199 556123617 /nfs/dbraw/zinc/12/36/17/556123617.db2.gz FIVCGPWENNEYAH-FQEVSTJZSA-N 0 0 432.501 5.178 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000002704773 556123864 /nfs/dbraw/zinc/12/38/64/556123864.db2.gz BNPAHEIGFGHDEQ-JOCHJYFZSA-N 0 0 431.875 5.206 50 0 IKAARN CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2S[C@H](C)CC)cc1 ZINC000002706346 556123902 /nfs/dbraw/zinc/12/39/02/556123902.db2.gz UHQXMLZAWGEGTG-MRXNPFEDSA-N 0 0 429.615 5.256 50 0 IKAARN CSc1ccc([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000002707432 556124177 /nfs/dbraw/zinc/12/41/77/556124177.db2.gz XWJJRFFVLPQTDN-FGZHOGPDSA-N 0 0 430.558 5.621 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CC[C@H](CC)C2 ZINC000002708174 556124532 /nfs/dbraw/zinc/12/45/32/556124532.db2.gz PCEUAUHOKAPLBU-KBPBESRZSA-N 0 0 431.623 5.878 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccc(Cl)c(Cl)c2)CCS3)cc1 ZINC000002719808 556126002 /nfs/dbraw/zinc/12/60/02/556126002.db2.gz IICXQTSKSUDXSG-UHFFFAOYSA-N 0 0 435.401 5.788 50 0 IKAARN CCOc1ccc(-n2c(=O)c3c(nc2SCc2ccc(Cl)cc2)CCS3)cc1 ZINC000002719936 556126213 /nfs/dbraw/zinc/12/62/13/556126213.db2.gz KRHSEMQXGSMONR-UHFFFAOYSA-N 0 0 430.982 5.225 50 0 IKAARN CCCCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002721790 556127672 /nfs/dbraw/zinc/12/76/72/556127672.db2.gz CIMVDAAHGYJNEV-UHFFFAOYSA-N 0 0 428.000 6.172 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1SCc1ccccc1Cl)c1ccccc1 ZINC000002721822 556127695 /nfs/dbraw/zinc/12/76/95/556127695.db2.gz WVPAATMFGNGTLR-UHFFFAOYSA-N 0 0 431.922 5.713 50 0 IKAARN Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)c1 ZINC000002722263 556127968 /nfs/dbraw/zinc/12/79/68/556127968.db2.gz PXGPBRFKCNUBAG-UHFFFAOYSA-N 0 0 446.572 5.027 50 0 IKAARN CCCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721874 556128003 /nfs/dbraw/zinc/12/80/03/556128003.db2.gz IMMWRZQNVVZEHQ-UHFFFAOYSA-N 0 0 442.356 5.422 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3cccc(C)c3)c2c1 ZINC000002722593 556128286 /nfs/dbraw/zinc/12/82/86/556128286.db2.gz RHMDCNOITIXMHG-UHFFFAOYSA-N 0 0 449.645 6.297 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1cccc(C)c1C ZINC000002722455 556128294 /nfs/dbraw/zinc/12/82/94/556128294.db2.gz WXMMGTRXSUKUMV-UHFFFAOYSA-N 0 0 446.595 6.069 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(Br)c2)c1Sc1ccccc1 ZINC000002713911 556129382 /nfs/dbraw/zinc/12/93/82/556129382.db2.gz PSEJCWUTDBFZBU-UHFFFAOYSA-N 0 0 445.382 6.079 50 0 IKAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(C)cc32)cc1 ZINC000002715788 556130184 /nfs/dbraw/zinc/13/01/84/556130184.db2.gz WNQOYHZRSMRTPD-UHFFFAOYSA-N 0 0 431.513 5.006 50 0 IKAARN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC2=CCCCC2)c1 ZINC000002715123 556130255 /nfs/dbraw/zinc/13/02/55/556130255.db2.gz NDIULLOHOQAYQQ-UHFFFAOYSA-N 0 0 428.967 7.043 50 0 IKAARN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2)c1 ZINC000002714839 556130276 /nfs/dbraw/zinc/13/02/76/556130276.db2.gz LIDMXWDPIOZFKD-UHFFFAOYSA-N 0 0 444.460 6.718 50 0 IKAARN CCCCOc1ccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)cc1 ZINC000002718557 556131566 /nfs/dbraw/zinc/13/15/66/556131566.db2.gz NKUAYEIQALLSBE-UHFFFAOYSA-N 0 0 438.593 6.496 50 0 IKAARN COc1cccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)c1OC ZINC000002718559 556131634 /nfs/dbraw/zinc/13/16/34/556131634.db2.gz KELLFDADFROCTG-UHFFFAOYSA-N 0 0 426.538 5.334 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002737476 556132092 /nfs/dbraw/zinc/13/20/92/556132092.db2.gz NYIPDIKIQAIULX-QHHAFSJGSA-N 0 0 444.170 7.076 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000002737605 556132232 /nfs/dbraw/zinc/13/22/32/556132232.db2.gz QTUOIDWHDOSUTK-UHFFFAOYSA-N 0 0 435.954 5.865 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 ZINC000002737692 556132237 /nfs/dbraw/zinc/13/22/37/556132237.db2.gz SMEUZFFGPFBJIE-GFCCVEGCSA-N 0 0 436.371 5.455 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1C ZINC000002739775 556132533 /nfs/dbraw/zinc/13/25/33/556132533.db2.gz NHIDUJSYGDIWLO-UHFFFAOYSA-N 0 0 444.534 7.563 50 0 IKAARN Cc1nn(CCCn2c(=O)c3ccccc3nc2SCc2ccc(C)cc2)cc1Cl ZINC000002741044 556132815 /nfs/dbraw/zinc/13/28/15/556132815.db2.gz WHVUCLUDGUPVSU-UHFFFAOYSA-N 0 0 438.984 5.246 50 0 IKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000002742285 556132979 /nfs/dbraw/zinc/13/29/79/556132979.db2.gz FCSQVHDVRZKUJD-UHFFFAOYSA-N 0 0 437.326 6.860 50 0 IKAARN CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724215 556133090 /nfs/dbraw/zinc/13/30/90/556133090.db2.gz MWFKBEPWXXRVIY-AREMUKBSSA-N 0 0 446.522 5.497 50 0 IKAARN O=C(c1ccccc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724541 556133259 /nfs/dbraw/zinc/13/32/59/556133259.db2.gz KRPUKCVPLDMZIF-OAQYLSRUSA-N 0 0 429.278 5.316 50 0 IKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)CC1 ZINC000002724925 556133636 /nfs/dbraw/zinc/13/36/36/556133636.db2.gz BLIASSRTGBQULU-ILPUNINZSA-N 0 0 427.614 5.187 50 0 IKAARN CCOc1ccc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)cc1 ZINC000002725443 556133682 /nfs/dbraw/zinc/13/36/82/556133682.db2.gz URQGKIKXLWXLLF-UHFFFAOYSA-N 0 0 437.201 5.201 50 0 IKAARN Cc1ccc(OC(F)F)c(NC(=S)Nc2ccn(Cc3c(F)cccc3Cl)n2)c1 ZINC000002728956 556133775 /nfs/dbraw/zinc/13/37/75/556133775.db2.gz DNSNQODXNJILBW-UHFFFAOYSA-N 0 0 440.878 5.443 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)C(C)(C)n1cc(Cl)cn1 ZINC000002728747 556133838 /nfs/dbraw/zinc/13/38/38/556133838.db2.gz CTPQOKUIFOYQHU-UHFFFAOYSA-N 0 0 440.762 5.079 50 0 IKAARN COc1ccc(-c2nn(-c3cccc(C)c3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC ZINC000002733302 556135068 /nfs/dbraw/zinc/13/50/68/556135068.db2.gz KHZBOJKCBOBXBB-UHFFFAOYSA-N 0 0 444.531 5.858 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn(Cc2cccc(C(F)(F)F)c2)c1-c1ccc(F)cc1 ZINC000002733440 556135090 /nfs/dbraw/zinc/13/50/90/556135090.db2.gz LCDOYPVLYUGYRP-UHFFFAOYSA-N 0 0 428.404 6.871 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1CCn1cc(Cl)cn1 ZINC000002733620 556135133 /nfs/dbraw/zinc/13/51/33/556135133.db2.gz FPJQWIGNEIDIRJ-UHFFFAOYSA-N 0 0 449.338 5.031 50 0 IKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 ZINC000002733338 556135165 /nfs/dbraw/zinc/13/51/65/556135165.db2.gz QXBCCJKUNXWHDR-UHFFFAOYSA-N 0 0 438.861 5.984 50 0 IKAARN CCCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002761217 556135455 /nfs/dbraw/zinc/13/54/55/556135455.db2.gz BSSKLLONSGPBSK-UHFFFAOYSA-N 0 0 448.371 6.849 50 0 IKAARN CCCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)/C=C/c1ccco1 ZINC000002762383 556135767 /nfs/dbraw/zinc/13/57/67/556135767.db2.gz DMMIVYGJMRWBGM-VAWYXSNFSA-N 0 0 431.513 6.380 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(Br)ccc3n2)cc1C ZINC000002764644 556135996 /nfs/dbraw/zinc/13/59/96/556135996.db2.gz XYFXRLRRZIIIGR-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000002748016 556136582 /nfs/dbraw/zinc/13/65/82/556136582.db2.gz RSMDZCADPYWMSN-UHFFFAOYSA-N 0 0 433.266 5.402 50 0 IKAARN CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](c2ccccc2)C3)c1 ZINC000002750864 556136897 /nfs/dbraw/zinc/13/68/97/556136897.db2.gz QRICZAUITXCRTI-KRWDZBQOSA-N 0 0 435.545 5.458 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 ZINC000002750839 556136924 /nfs/dbraw/zinc/13/69/24/556136924.db2.gz MWHGTJZHVHTINR-UHFFFAOYSA-N 0 0 437.561 6.331 50 0 IKAARN O=C(CCC(=O)Nc1nc(-c2ccccc2)cs1)Nc1nc(-c2ccccc2)cs1 ZINC000002750714 556136965 /nfs/dbraw/zinc/13/69/65/556136965.db2.gz IPVSLONPXIBKFO-UHFFFAOYSA-N 0 0 434.546 5.291 50 0 IKAARN CCc1ccc(OCc2ccc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)o2)cc1 ZINC000002752136 556137189 /nfs/dbraw/zinc/13/71/89/556137189.db2.gz LTAGVIOFYHKAKQ-UHFFFAOYSA-N 0 0 441.483 6.581 50 0 IKAARN Cc1cccc2sc(NC(=O)c3cc(-c4ccc(C(C)C)cc4)nc4ccccc43)nc21 ZINC000002754532 556137209 /nfs/dbraw/zinc/13/72/09/556137209.db2.gz IFTYSRSACOKVOC-UHFFFAOYSA-N 0 0 437.568 7.196 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 ZINC000002754051 556137265 /nfs/dbraw/zinc/13/72/65/556137265.db2.gz JOZOZSBJSQNMKR-AWEZNQCLSA-N 0 0 438.549 5.654 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](CC)C3)cc1 ZINC000002752805 556137273 /nfs/dbraw/zinc/13/72/73/556137273.db2.gz BUYVBINZHHUZIV-INIZCTEOSA-N 0 0 429.582 5.871 50 0 IKAARN CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)CCCc1ccccc1 ZINC000002758397 556137483 /nfs/dbraw/zinc/13/74/83/556137483.db2.gz JHBHJTVXQXYHSY-UHFFFAOYSA-N 0 0 443.568 6.706 50 0 IKAARN O=C(Nc1ccc(Br)cn1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002759952 556137769 /nfs/dbraw/zinc/13/77/69/556137769.db2.gz MHDRTFCGQWRGSX-UHFFFAOYSA-N 0 0 448.276 5.040 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002758540 556137778 /nfs/dbraw/zinc/13/77/78/556137778.db2.gz NWQYHSPESRLCFZ-UHFFFAOYSA-N 0 0 447.288 5.645 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(COc2ccccc2Br)o1 ZINC000002782370 556137990 /nfs/dbraw/zinc/13/79/90/556137990.db2.gz GBLRXSDFBJPTGU-IBGZPJMESA-N 0 0 426.310 5.429 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc3n2)cc1C ZINC000002760408 556138095 /nfs/dbraw/zinc/13/80/95/556138095.db2.gz NGVMOCFVVQOEMW-UHFFFAOYSA-N 0 0 445.563 5.212 50 0 IKAARN C[C@@H](NC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc(C(C)(C)C)cc1 ZINC000002784809 556138316 /nfs/dbraw/zinc/13/83/16/556138316.db2.gz PYGANGVRBASPBZ-CYBMUJFWSA-N 0 0 428.326 5.344 50 0 IKAARN Cc1cc(C(F)(F)F)nn1Cc1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000002787563 556138883 /nfs/dbraw/zinc/13/88/83/556138883.db2.gz XIQNTRFFPNOFKZ-GFCCVEGCSA-N 0 0 448.518 5.062 50 0 IKAARN CC[C@@H]1CCc2c(sc3ncn4nc([C@H](C)Cn5nc(C(F)(F)F)cc5C)nc4c23)C1 ZINC000002789995 556139342 /nfs/dbraw/zinc/13/93/42/556139342.db2.gz BVUZSBSAIMTGHV-DGCLKSJQSA-N 0 0 448.518 5.181 50 0 IKAARN CC[C@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6cc(Cl)cn6)o5)nc4c23)C1 ZINC000002789903 556139350 /nfs/dbraw/zinc/13/93/50/556139350.db2.gz GSYSBFRRZLLLDE-LBPRGKRZSA-N 0 0 438.944 5.012 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000002767208 556139631 /nfs/dbraw/zinc/13/96/31/556139631.db2.gz NEYBBIKECMYYRT-UHFFFAOYSA-N 0 0 434.227 5.427 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Br)ccc3n2)cc1 ZINC000002767277 556139664 /nfs/dbraw/zinc/13/96/64/556139664.db2.gz ODICKYPJIFAVSC-UHFFFAOYSA-N 0 0 425.326 5.299 50 0 IKAARN CCCC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1c(F)cccc1F ZINC000002768233 556139822 /nfs/dbraw/zinc/13/98/22/556139822.db2.gz CVGCVRIPMBQSCK-UHFFFAOYSA-N 0 0 441.543 7.226 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1csc2ccccc12 ZINC000002768611 556139916 /nfs/dbraw/zinc/13/99/16/556139916.db2.gz MJBPVEPHHVXULF-UHFFFAOYSA-N 0 0 441.961 6.712 50 0 IKAARN CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000002769278 556140200 /nfs/dbraw/zinc/14/02/00/556140200.db2.gz MTUDABPUBIINMC-OAQYLSRUSA-N 0 0 438.571 6.442 50 0 IKAARN C[C@H]1CCc2c(sc3ncn4nc(-c5ccc(COc6ccc(F)cc6)o5)nc4c23)C1 ZINC000002790803 556140235 /nfs/dbraw/zinc/14/02/35/556140235.db2.gz IBFFNFXBOPLQBF-ZDUSSCGKSA-N 0 0 434.496 5.442 50 0 IKAARN Cc1cc(Cl)ccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)o1 ZINC000002790892 556140479 /nfs/dbraw/zinc/14/04/79/556140479.db2.gz FVFNTHBWLOLDBZ-UHFFFAOYSA-N 0 0 436.924 5.629 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002775934 556140515 /nfs/dbraw/zinc/14/05/15/556140515.db2.gz XLHPVBGJQSPRNM-UHFFFAOYSA-N 0 0 431.333 5.937 50 0 IKAARN CC(C)(C)Cc1nnc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)s1 ZINC000002777386 556140788 /nfs/dbraw/zinc/14/07/88/556140788.db2.gz SFNGFIRLWTZQKL-UHFFFAOYSA-N 0 0 446.532 5.323 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002779616 556141312 /nfs/dbraw/zinc/14/13/12/556141312.db2.gz VWDSUAZTCFVVIE-GFCCVEGCSA-N 0 0 428.439 5.068 50 0 IKAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002778725 556141377 /nfs/dbraw/zinc/14/13/77/556141377.db2.gz ONXQGTIPAKARHR-UHFFFAOYSA-N 0 0 446.498 5.031 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000002779687 556141383 /nfs/dbraw/zinc/14/13/83/556141383.db2.gz AFWBMEBXUIZRMU-UHFFFAOYSA-N 0 0 428.359 6.381 50 0 IKAARN O=C(Nc1ccccc1Sc1ccccc1)c1cc2nc(C3CC3)cc(C(F)F)n2n1 ZINC000002781065 556141890 /nfs/dbraw/zinc/14/18/90/556141890.db2.gz WGTGRDOBZNBTMP-UHFFFAOYSA-N 0 0 436.487 5.948 50 0 IKAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2C(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000002803125 556142678 /nfs/dbraw/zinc/14/26/78/556142678.db2.gz DEVVYPUJCJRHBP-HKUYNNGSSA-N 0 0 430.430 5.087 50 0 IKAARN Brc1cccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c1 ZINC000002805603 556143646 /nfs/dbraw/zinc/14/36/46/556143646.db2.gz VUTRWJTZOWTQHV-UHFFFAOYSA-N 0 0 431.293 5.286 50 0 IKAARN Cc1ccc(C)c(N2C(=S)N=NC2COc2ccc3cc(Br)ccc3c2)c1 ZINC000002791563 556143996 /nfs/dbraw/zinc/14/39/96/556143996.db2.gz WMXNWJVMSQWIJF-UHFFFAOYSA-N 0 0 440.366 5.668 50 0 IKAARN CC[C@H](C)c1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2OC(F)F)cc1 ZINC000002792702 556144602 /nfs/dbraw/zinc/14/46/02/556144602.db2.gz UCXWNIQRFDBPPI-QWHCGFSZSA-N 0 0 426.301 6.055 50 0 IKAARN CSc1nsc(SC)c1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000002793491 556145015 /nfs/dbraw/zinc/14/50/15/556145015.db2.gz BUGNTOZUHYTIRE-UHFFFAOYSA-N 0 0 444.529 5.103 50 0 IKAARN Cc1cc(OCc2ccc(C(=O)Nc3ccn(Cc4cccc(F)c4)n3)o2)ccc1Cl ZINC000002796607 556145776 /nfs/dbraw/zinc/14/57/76/556145776.db2.gz HQRGGWGVTMFRNM-UHFFFAOYSA-N 0 0 439.874 5.457 50 0 IKAARN Cc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1Cl ZINC000002848004 556147829 /nfs/dbraw/zinc/14/78/29/556147829.db2.gz KFIHMQLSKJHCIX-UHFFFAOYSA-N 0 0 433.758 5.691 50 0 IKAARN COc1cc(OC)c(Nc2nc(Cc3ccccc3)nc3sc(C)c(C)c32)cc1Cl ZINC000002910628 556148664 /nfs/dbraw/zinc/14/86/64/556148664.db2.gz OFGJJDOALLRPFV-UHFFFAOYSA-N 0 0 439.968 6.313 50 0 IKAARN O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N(CC(F)(F)F)c1ccccc1 ZINC000002890647 556148962 /nfs/dbraw/zinc/14/89/62/556148962.db2.gz VJAQTNWQTHJUHE-UHFFFAOYSA-N 0 0 441.858 5.890 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1 ZINC000002916717 556149100 /nfs/dbraw/zinc/14/91/00/556149100.db2.gz IMBARSFXZOGDSH-RPWUZVMVSA-N 0 0 444.897 5.592 50 0 IKAARN Cc1ccccc1CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1 ZINC000002908711 556149776 /nfs/dbraw/zinc/14/97/76/556149776.db2.gz WCWHDVXHXHPCRB-UHFFFAOYSA-N 0 0 443.391 5.810 50 0 IKAARN COc1ccc(C(=O)N[C@H](Sc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002905457 556149786 /nfs/dbraw/zinc/14/97/86/556149786.db2.gz MRIRDTYIRGDISF-OAHLLOKOSA-N 0 0 425.164 5.567 50 0 in-vivo IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000002938484 556150117 /nfs/dbraw/zinc/15/01/17/556150117.db2.gz HOYYMPJLEXUHNZ-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN COc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)no1 ZINC000002930826 556150123 /nfs/dbraw/zinc/15/01/23/556150123.db2.gz QCENWCBCVXLVIZ-UHFFFAOYSA-N 0 0 440.253 5.020 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000002922111 556150361 /nfs/dbraw/zinc/15/03/61/556150361.db2.gz FHNRRVWJRGJOEC-LLVKDONJSA-N 0 0 439.408 5.947 50 0 IKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C(C)C)c1 ZINC000002941703 556151333 /nfs/dbraw/zinc/15/13/33/556151333.db2.gz RUCDFXQWJHJWOC-UHFFFAOYSA-N 0 0 427.532 6.876 50 0 IKAARN Cc1c(C)c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2cc1Br ZINC000002950559 556151528 /nfs/dbraw/zinc/15/15/28/556151528.db2.gz YYRTWTBJNJOUFK-UHFFFAOYSA-N 0 0 425.276 6.621 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(CSc3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000002952687 556151596 /nfs/dbraw/zinc/15/15/96/556151596.db2.gz DLPUPVOXHLEJCU-UHFFFAOYSA-N 0 0 425.553 7.332 50 0 IKAARN CCCCc1ccc(NC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 ZINC000002985677 556152128 /nfs/dbraw/zinc/15/21/28/556152128.db2.gz GYVZGYQFBVGHBN-UHFFFAOYSA-N 0 0 435.387 5.317 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)cc1 ZINC000002971790 556152153 /nfs/dbraw/zinc/15/21/53/556152153.db2.gz CDOADGWKZQKZDA-UHFFFAOYSA-N 0 0 434.320 5.451 50 0 IKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000002985754 556152187 /nfs/dbraw/zinc/15/21/87/556152187.db2.gz XAXXPKZYFRSQKC-UHFFFAOYSA-N 0 0 445.544 5.801 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000002986272 556152425 /nfs/dbraw/zinc/15/24/25/556152425.db2.gz CCZXTHSZMVGWHT-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000002978601 556153550 /nfs/dbraw/zinc/15/35/50/556153550.db2.gz YPPJAJRPJAVIFD-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3)oc2c(C)c1 ZINC000002978444 556153563 /nfs/dbraw/zinc/15/35/63/556153563.db2.gz SXTSBYNXXKTJKU-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1C ZINC000002979154 556153617 /nfs/dbraw/zinc/15/36/17/556153617.db2.gz ZTHBWUQNBRGZJT-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)oc2c(C)c1 ZINC000002978611 556153621 /nfs/dbraw/zinc/15/36/21/556153621.db2.gz PJJHDRPERMXDED-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002982481 556153839 /nfs/dbraw/zinc/15/38/39/556153839.db2.gz WEHKWVFCBKRLHA-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nc2c1 ZINC000002982533 556153844 /nfs/dbraw/zinc/15/38/44/556153844.db2.gz HCZDQWBCJJMFLY-UHFFFAOYSA-N 0 0 449.963 6.146 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1C ZINC000002981827 556153875 /nfs/dbraw/zinc/15/38/75/556153875.db2.gz ITEIMNZGEQPMKX-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccccc4Cl)c3C)oc2c(C)c1 ZINC000002982990 556154141 /nfs/dbraw/zinc/15/41/41/556154141.db2.gz HTNKNNPMFMXNPR-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000002983652 556154203 /nfs/dbraw/zinc/15/42/03/556154203.db2.gz PPPFPBVODUSSBN-UHFFFAOYSA-N 0 0 437.524 6.083 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc5ccccc54)cc3)C(=O)O2)cc1 ZINC000002984404 556154210 /nfs/dbraw/zinc/15/42/10/556154210.db2.gz DRRDZDAGEJBZIJ-KOEQRZSOSA-N 0 0 433.463 5.712 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000002984706 556154243 /nfs/dbraw/zinc/15/42/43/556154243.db2.gz TUPXEWBLJUWTLA-UHFFFAOYSA-N 0 0 434.150 5.918 50 0 IKAARN O=C(NCCSCc1ccccc1Cl)c1ccc(CSc2ccccc2)cc1 ZINC000002983685 556154249 /nfs/dbraw/zinc/15/42/49/556154249.db2.gz IGLWPNREMTYDLY-UHFFFAOYSA-N 0 0 428.022 6.296 50 0 IKAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)c1C ZINC000003008360 556154516 /nfs/dbraw/zinc/15/45/16/556154516.db2.gz CYGWLMLQYTXSAC-UHFFFAOYSA-N 0 0 429.545 5.407 50 0 IKAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 ZINC000003011640 556155634 /nfs/dbraw/zinc/15/56/34/556155634.db2.gz KQQNLEVBHLEXGC-PKOBYXMFSA-N 0 0 430.430 5.113 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 ZINC000002996572 556156114 /nfs/dbraw/zinc/15/61/14/556156114.db2.gz LCNSFQGLWRMQDU-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3C)oc2cc1C ZINC000002994666 556156201 /nfs/dbraw/zinc/15/62/01/556156201.db2.gz NHGZEGUQOFHOMP-UHFFFAOYSA-N 0 0 434.923 6.399 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)Nc1ccccc1)CC2 ZINC000003006487 556156386 /nfs/dbraw/zinc/15/63/86/556156386.db2.gz OMIWZGJPAUOWEC-DEOSSOPVSA-N 0 0 446.547 5.531 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000003006794 556156732 /nfs/dbraw/zinc/15/67/32/556156732.db2.gz CPDPBVWOZZBKOF-XMMPIXPASA-N 0 0 449.522 5.278 50 0 IKAARN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)OCC(=O)C(C)(C)C)c2c1 ZINC000008383422 556159162 /nfs/dbraw/zinc/15/91/62/556159162.db2.gz JYWYXHLOUNCOAJ-UHFFFAOYSA-N 0 0 440.337 5.745 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 ZINC000008383406 556159196 /nfs/dbraw/zinc/15/91/96/556159196.db2.gz DKIHLOGLARLQTJ-UHFFFAOYSA-N 0 0 439.467 5.140 50 0 IKAARN Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1C ZINC000008383515 556159200 /nfs/dbraw/zinc/15/92/00/556159200.db2.gz WRJWGUULCHVUGI-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN CCOC(=O)c1cccc(COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)c1 ZINC000008383537 556159525 /nfs/dbraw/zinc/15/95/25/556159525.db2.gz LXJBMZGUTCCLMU-UHFFFAOYSA-N 0 0 439.511 6.052 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383661 556159552 /nfs/dbraw/zinc/15/95/52/556159552.db2.gz NTOZONLRJIKXSS-UHFFFAOYSA-N 0 0 435.932 6.273 50 0 IKAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000008384186 556160041 /nfs/dbraw/zinc/16/00/41/556160041.db2.gz VMPIDNLRNOFPNQ-UHFFFAOYSA-N 0 0 425.271 6.067 50 0 IKAARN CSc1c(C)c(-c2ccccc2)n(-c2ccccc2)c(=S)c1C(=O)c1ccccc1 ZINC000008384909 556160528 /nfs/dbraw/zinc/16/05/28/556160528.db2.gz DXHGRHXKVMHXMB-UHFFFAOYSA-N 0 0 427.594 7.135 50 0 IKAARN CSc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)c1C(=O)c1ccccc1 ZINC000008384958 556160557 /nfs/dbraw/zinc/16/05/57/556160557.db2.gz INFJKHHSUJPOLV-UHFFFAOYSA-N 0 0 448.012 7.480 50 0 IKAARN COc1ccc([C@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000008385077 556160822 /nfs/dbraw/zinc/16/08/22/556160822.db2.gz GZIJERBGZJUSKF-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN O=C1[C@@H](Oc2ccccc2)[C@]2(c3ccccc3)C[C@H](c3ccccc3)Sc3ccccc3N12 ZINC000008385785 556161484 /nfs/dbraw/zinc/16/14/84/556161484.db2.gz QRYJUSMKRBSNCZ-LSMIHOHGSA-N 0 0 449.575 6.613 50 0 IKAARN O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1CNc1cc(Cl)ccc1Cl ZINC000008385831 556161863 /nfs/dbraw/zinc/16/18/63/556161863.db2.gz SZGRENDSDMIECH-CHHVJCJISA-N 0 0 448.158 6.406 50 0 IKAARN Clc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008386284 556161911 /nfs/dbraw/zinc/16/19/11/556161911.db2.gz ZWBGTOKGGYGMEN-HXUWFJFHSA-N 0 0 436.169 7.656 50 0 IKAARN COc1ccc([C@H]2Nc3c(sc4nc5c(c(-c6ccccc6)c43)CCC5)C(=O)N2)cc1 ZINC000008386907 556162382 /nfs/dbraw/zinc/16/23/82/556162382.db2.gz RZZKGSRCGOHNOK-QHCPKHFHSA-N 0 0 427.529 5.315 50 0 IKAARN COc1cc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1OC ZINC000008396779 556163958 /nfs/dbraw/zinc/16/39/58/556163958.db2.gz FJAONGRPFCIEFY-HTAPYJJXSA-N 0 0 426.925 5.661 50 0 IKAARN CCC(=O)Oc1cccc2ccc(/C=C/c3cc(OC)c(OC(=O)CC)c(OC)c3)nc21 ZINC000008397698 556164185 /nfs/dbraw/zinc/16/41/85/556164185.db2.gz NLSPUENDZXQYPU-ZRDIBKRKSA-N 0 0 435.476 5.053 50 0 IKAARN Clc1ccc([C@H]2CC(c3ccccc3Cl)=NN2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008398032 556164478 /nfs/dbraw/zinc/16/44/78/556164478.db2.gz VAHPIWDBTQCHPA-OAQYLSRUSA-N 0 0 436.169 7.656 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 ZINC000008398016 556164562 /nfs/dbraw/zinc/16/45/62/556164562.db2.gz BGXXKNOIHYMSPR-FQEVSTJZSA-N 0 0 426.567 5.327 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000008398972 556165082 /nfs/dbraw/zinc/16/50/82/556165082.db2.gz AYOVIYVKKAIURU-JLHYYAGUSA-N 0 0 426.825 6.228 50 0 IKAARN CCOc1ccc([C@]23Oc4ccccc4[C@@H](c4ccccc4C)[C@H]2C3(Cl)Cl)cc1 ZINC000008400042 556165678 /nfs/dbraw/zinc/16/56/78/556165678.db2.gz YFTAIBWAZMMXLG-SMIHKQSGSA-N 0 0 425.355 6.617 50 0 IKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4ccc(C(C)C)cc4)sc3nc3c2CCCC3)o1 ZINC000008400596 556166226 /nfs/dbraw/zinc/16/62/26/556166226.db2.gz VOROQAUIOGAITP-UHFFFAOYSA-N 0 0 445.588 6.701 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000008405729 556166812 /nfs/dbraw/zinc/16/68/12/556166812.db2.gz NPVPPCXSDYYGHQ-BKUYFWCQSA-N 0 0 433.891 5.581 50 0 IKAARN CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000008407987 556166856 /nfs/dbraw/zinc/16/68/56/556166856.db2.gz KGZGREMIGCIBBO-XMMPIXPASA-N 0 0 434.536 5.017 50 0 IKAARN Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4cccs4)c12)-c1ccccc1C3=O ZINC000008411821 556167082 /nfs/dbraw/zinc/16/70/82/556167082.db2.gz AHKLNVOBROACRG-UHFFFAOYSA-N 0 0 438.533 6.049 50 0 IKAARN Cc1nnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c2c1/C=C/c1ccccc1 ZINC000008411849 556167103 /nfs/dbraw/zinc/16/71/03/556167103.db2.gz GKRYJMCOMOKTOU-KPKJPENVSA-N 0 0 430.920 5.523 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2C(F)(F)F)cc1C ZINC000008414455 556167355 /nfs/dbraw/zinc/16/73/55/556167355.db2.gz SZYGTETXSNZVHG-BKUYFWCQSA-N 0 0 442.437 5.003 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000008414221 556167431 /nfs/dbraw/zinc/16/74/31/556167431.db2.gz GFEJFTBIDUTZPB-MOSHPQCFSA-N 0 0 444.478 5.793 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000008426595 556169002 /nfs/dbraw/zinc/16/90/02/556169002.db2.gz HDRLSWSVJAQBLU-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000008426596 556169057 /nfs/dbraw/zinc/16/90/57/556169057.db2.gz HDRLSWSVJAQBLU-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000008426625 556169062 /nfs/dbraw/zinc/16/90/62/556169062.db2.gz VKTHWCUSUZHQKJ-FYYLOGMGSA-N 0 0 437.312 6.139 50 0 IKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000008426637 556169088 /nfs/dbraw/zinc/16/90/88/556169088.db2.gz SGTFEGFRXLHQGV-UWJYYQICSA-N 0 0 439.334 5.263 50 0 IKAARN O=C(c1ccccc1)[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000008426636 556169133 /nfs/dbraw/zinc/16/91/33/556169133.db2.gz SGTFEGFRXLHQGV-LAUBAEHRSA-N 0 0 439.334 5.263 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000008426749 556169313 /nfs/dbraw/zinc/16/93/13/556169313.db2.gz GGVLFDRIUMBEKG-ISKFKSNPSA-N 0 0 449.348 6.008 50 0 IKAARN Ic1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 ZINC000008426878 556169349 /nfs/dbraw/zinc/16/93/49/556169349.db2.gz DDEWOVBHRLKZSI-UHFFFAOYSA-N 0 0 433.292 6.687 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1Br ZINC000008427193 556169378 /nfs/dbraw/zinc/16/93/78/556169378.db2.gz ZRICNYFQLOCGPU-OAQYLSRUSA-N 0 0 441.756 6.467 50 0 IKAARN O=C(COc1ccc(-c2ccc(Br)cc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008426968 556169386 /nfs/dbraw/zinc/16/93/86/556169386.db2.gz KEOGSTXUYLTKOC-UHFFFAOYSA-N 0 0 425.366 6.280 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1cccc(Cl)c1 ZINC000008427265 556169406 /nfs/dbraw/zinc/16/94/06/556169406.db2.gz IZJSEQAYUDYUPI-NRFANRHFSA-N 0 0 441.756 6.467 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000008427280 556169606 /nfs/dbraw/zinc/16/96/06/556169606.db2.gz RDTKHQNQWPIAGQ-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN Cc1nc2ccccc2n1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000008430344 556170319 /nfs/dbraw/zinc/17/03/19/556170319.db2.gz FKDXUAFLYZRWSB-UHFFFAOYSA-N 0 0 442.316 6.011 50 0 IKAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000008430674 556170523 /nfs/dbraw/zinc/17/05/23/556170523.db2.gz MPAPOQFDHBUXDQ-NSHDSACASA-N 0 0 442.364 5.516 50 0 IKAARN COC(=O)/C(=C\C(=C\c1cc2ccccc2s1)C(=O)OC)c1cc2ccccc2s1 ZINC000008431248 556170859 /nfs/dbraw/zinc/17/08/59/556170859.db2.gz YIUGOSGTVDHKDU-JOSACAGISA-N 0 0 434.538 5.929 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000008431609 556171060 /nfs/dbraw/zinc/17/10/60/556171060.db2.gz HYUZMXWPYFYBRQ-WNJJXGMVSA-N 0 0 432.523 6.605 50 0 IKAARN COc1ccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 ZINC000008431501 556171168 /nfs/dbraw/zinc/17/11/68/556171168.db2.gz HJXGEAKZFLVVKF-OVCLIPMQSA-N 0 0 433.305 5.327 50 0 IKAARN CCOc1ccccc1[C@@H]1Nc2ccc(Br)cc2C(=O)N1c1cccc(C)c1 ZINC000008432250 556171802 /nfs/dbraw/zinc/17/18/02/556171802.db2.gz IWCIUIYQTDHEFY-JOCHJYFZSA-N 0 0 437.337 5.927 50 0 IKAARN CC(C)N(C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)c1ccccc1 ZINC000008432801 556172151 /nfs/dbraw/zinc/17/21/51/556172151.db2.gz SOBOQPBAPLXNKZ-UHFFFAOYSA-N 0 0 449.554 6.210 50 0 IKAARN CCCCCc1ccc(-c2ccc(-c3ccc(I)cc3)cc2)nc1 ZINC000008434872 556173081 /nfs/dbraw/zinc/17/30/81/556173081.db2.gz KNDBOLKDNIQWJX-UHFFFAOYSA-N 0 0 427.329 6.753 50 0 IKAARN N=C1S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000008438752 556174939 /nfs/dbraw/zinc/17/49/39/556174939.db2.gz QGPIPWHHNAOCER-WEYXMBDUSA-N 0 0 433.291 6.448 50 0 IKAARN Cc1ccc(C(=O)N(c2ccc3oc4c(c3c2)CCCC4)S(=O)(=O)c2ccccc2)cc1 ZINC000008439115 556175259 /nfs/dbraw/zinc/17/52/59/556175259.db2.gz VEEJLNCSJTYYEH-UHFFFAOYSA-N 0 0 445.540 5.656 50 0 IKAARN O=c1/c(=C\c2cccc(OCc3cccc4ccccc43)c2)sc2nc3ccccc3n12 ZINC000008439261 556175514 /nfs/dbraw/zinc/17/55/14/556175514.db2.gz MXOTWQKNPFGXII-PCLIKHOPSA-N 0 0 434.520 5.189 50 0 IKAARN CC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCCCC3)cc2c1CCCCC2 ZINC000008439347 556175838 /nfs/dbraw/zinc/17/58/38/556175838.db2.gz VTEFUNIRFGFUGB-UHFFFAOYSA-N 0 0 440.722 7.682 50 0 IKAARN CCCCCCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008440056 556176108 /nfs/dbraw/zinc/17/61/08/556176108.db2.gz XYTOAEIONOKMSG-UHFFFAOYSA-N 0 0 441.622 6.350 50 0 IKAARN CCCCOc1ccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)cc1 ZINC000008440284 556176143 /nfs/dbraw/zinc/17/61/43/556176143.db2.gz JEPRZNOFSATJTC-UHFFFAOYSA-N 0 0 438.474 5.002 50 0 IKAARN CCCCCCc1cc2cc(-c3cn4c5ccc(OC)cc5sc4n3)c(=O)oc2cc1O ZINC000008441045 556176832 /nfs/dbraw/zinc/17/68/32/556176832.db2.gz KUBYSIYOOYVPPQ-UHFFFAOYSA-N 0 0 448.544 6.159 50 0 IKAARN CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 ZINC000008442262 556177125 /nfs/dbraw/zinc/17/71/25/556177125.db2.gz DKXAFVUPTBRPIK-KGKZSPKZSA-N 0 0 434.583 7.694 50 0 IKAARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2 ZINC000008444205 556178652 /nfs/dbraw/zinc/17/86/52/556178652.db2.gz QFWYSEREOGALKZ-DTQAZKPQSA-N 0 0 439.621 6.533 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@H]12 ZINC000008444542 556178987 /nfs/dbraw/zinc/17/89/87/556178987.db2.gz PXTKIPXFRAYYAB-WRWLIDTKSA-N 0 0 442.485 5.456 50 0 IKAARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(C(F)(F)F)cc3)oc21 ZINC000008445153 556179255 /nfs/dbraw/zinc/17/92/55/556179255.db2.gz SHURFDSNWJIJCK-NFFVHWSESA-N 0 0 435.405 6.236 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000008444763 556179262 /nfs/dbraw/zinc/17/92/62/556179262.db2.gz UANNKVWIAGLVDX-MTBNTBEFSA-N 0 0 444.501 5.242 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000008444764 556179285 /nfs/dbraw/zinc/17/92/85/556179285.db2.gz UANNKVWIAGLVDX-IEVJBBGNSA-N 0 0 444.501 5.242 50 0 IKAARN COc1ccc(OC)c(S[C@@H](CC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c1 ZINC000008445483 556179636 /nfs/dbraw/zinc/17/96/36/556179636.db2.gz AIFCCQPRNZOKFD-QFIPXVFZSA-N 0 0 447.383 7.117 50 0 IKAARN O=C(c1ccc(I)cc1)c1cnc2ccccc2c1-c1ccccc1 ZINC000008445462 556179675 /nfs/dbraw/zinc/17/96/75/556179675.db2.gz KHVOYYSFFFNNRR-UHFFFAOYSA-N 0 0 435.264 5.737 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@@H](C)C2 ZINC000008445626 556179887 /nfs/dbraw/zinc/17/98/87/556179887.db2.gz VOTWFPMDYCKKCG-CQSZACIVSA-N 0 0 438.980 6.339 50 0 IKAARN Cc1c(-c2ccccc2)sc(NC(=O)c2cccs2)c1C(=O)Nc1ccc(C)cc1C ZINC000008445648 556180160 /nfs/dbraw/zinc/18/01/60/556180160.db2.gz HBFQXRZAKODECD-UHFFFAOYSA-N 0 0 446.597 6.906 50 0 IKAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCCC3)cc1 ZINC000008445639 556180178 /nfs/dbraw/zinc/18/01/78/556180178.db2.gz MVQFNQHDRJXJID-UHFFFAOYSA-N 0 0 434.561 5.459 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCC2 ZINC000008445633 556180186 /nfs/dbraw/zinc/18/01/86/556180186.db2.gz QYPFZFGKRFRCHE-UHFFFAOYSA-N 0 0 448.588 6.229 50 0 IKAARN COc1ccc(Cl)c2c3nnc(SCC(=O)Nc4cccc5ccccc54)nc3[nH]c21 ZINC000008446231 556180187 /nfs/dbraw/zinc/18/01/87/556180187.db2.gz RGTHIXZNJLVQAY-UHFFFAOYSA-N 0 0 449.923 5.052 50 0 IKAARN Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)c1 ZINC000008450142 556181259 /nfs/dbraw/zinc/18/12/59/556181259.db2.gz RTQCDNZCFBZBRE-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)sc2n1 ZINC000008450710 556181546 /nfs/dbraw/zinc/18/15/46/556181546.db2.gz ZGZRHULQPVAFQT-FQEVSTJZSA-N 0 0 426.545 5.487 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc3sc(C(=O)c4ccccc4)c(N)c32)cc1 ZINC000008450599 556181574 /nfs/dbraw/zinc/18/15/74/556181574.db2.gz JTJBLEHADGMTHH-UHFFFAOYSA-N 0 0 428.435 5.804 50 0 IKAARN O=c1c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2nnn1-c1ccccc1)CCCC4 ZINC000008450790 556181677 /nfs/dbraw/zinc/18/16/77/556181677.db2.gz ZJMNPHYDQRDFLY-UHFFFAOYSA-N 0 0 444.947 5.590 50 0 IKAARN Nc1c(C(=O)c2ccccc2Cl)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000008451203 556181816 /nfs/dbraw/zinc/18/18/16/556181816.db2.gz ACPJWUFLADNWAE-UHFFFAOYSA-N 0 0 440.955 7.097 50 0 IKAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000008451527 556182298 /nfs/dbraw/zinc/18/22/98/556182298.db2.gz YFLSUMYBJLMMEU-UHFFFAOYSA-N 0 0 425.271 6.067 50 0 IKAARN C[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(=O)c2ccccc2)c1 ZINC000008452355 556182798 /nfs/dbraw/zinc/18/27/98/556182798.db2.gz YVIZRUUADPZGDZ-HXUWFJFHSA-N 0 0 432.519 6.377 50 0 IKAARN C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000008452271 556182819 /nfs/dbraw/zinc/18/28/19/556182819.db2.gz BRCSGKDVBDYDHH-LBPRGKRZSA-N 0 0 432.734 6.624 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000008452482 556182836 /nfs/dbraw/zinc/18/28/36/556182836.db2.gz ZIAURQQOGBMZFN-UHFFFAOYSA-N 0 0 433.266 5.402 50 0 IKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000008452532 556183092 /nfs/dbraw/zinc/18/30/92/556183092.db2.gz WXPBHFKNYWAVNB-SFHVURJKSA-N 0 0 434.967 6.533 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccc(Br)cc1-2 ZINC000008452852 556183399 /nfs/dbraw/zinc/18/33/99/556183399.db2.gz YSLNQLBPZPIPEM-KRWDZBQOSA-N 0 0 444.358 5.091 50 0 IKAARN COc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc(Br)c1O ZINC000008453000 556183416 /nfs/dbraw/zinc/18/34/16/556183416.db2.gz XKGPDBPRCMDFDA-UHFFFAOYSA-N 0 0 447.332 6.306 50 0 IKAARN CCOC(=O)COc1ccccc1/C=C/c1ccc2cccc(OCc3ccccc3)c2n1 ZINC000008452973 556183461 /nfs/dbraw/zinc/18/34/61/556183461.db2.gz HBPVJNOSTHINLM-BMRADRMJSA-N 0 0 439.511 5.926 50 0 IKAARN COc1ccc(NC(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)cc1 ZINC000008453382 556184356 /nfs/dbraw/zinc/18/43/56/556184356.db2.gz KLTYWIAGJMJVGZ-UHFFFAOYSA-N 0 0 426.472 5.118 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)COc2cccc3ccccc32)c1 ZINC000008453385 556184419 /nfs/dbraw/zinc/18/44/19/556184419.db2.gz ZSQKLKREQVWAEF-UHFFFAOYSA-N 0 0 440.499 5.508 50 0 IKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000008454036 556184710 /nfs/dbraw/zinc/18/47/10/556184710.db2.gz SCNIFMHRNBURLQ-UHFFFAOYSA-N 0 0 444.987 6.870 50 0 IKAARN CCC[C@@H](NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454312 556184966 /nfs/dbraw/zinc/18/49/66/556184966.db2.gz DFOQZEFZDFHNFZ-AUCPRATJSA-N 0 0 447.255 5.384 50 0 IKAARN CC1(C)C[C@H](NC(=O)c2ccccc2Cl)C[C@@](C)(CNC(=O)c2ccccc2Cl)C1 ZINC000008455675 556185586 /nfs/dbraw/zinc/18/55/86/556185586.db2.gz NBCPDNQJZGBUMD-UPCLLVRISA-N 0 0 447.406 5.738 50 0 IKAARN COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000008455731 556185589 /nfs/dbraw/zinc/18/55/89/556185589.db2.gz AJKOVKVSIDIMNH-NFFVHWSESA-N 0 0 438.405 5.945 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@@H]2[C@H]1c1cccs1 ZINC000008455582 556185649 /nfs/dbraw/zinc/18/56/49/556185649.db2.gz VEDPLASXZAZMKR-MEPUUNFYSA-N 0 0 439.631 6.257 50 0 IKAARN CCCCc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)c2C(=O)OC)cc1 ZINC000008455774 556185805 /nfs/dbraw/zinc/18/58/05/556185805.db2.gz KWCZQWGUKUUJQE-UHFFFAOYSA-N 0 0 429.488 6.075 50 0 IKAARN COc1cccc([C@H]2CN(c3ccc(Br)cc3)N=C2c2cccs2)c1OC ZINC000008456375 556186193 /nfs/dbraw/zinc/18/61/93/556186193.db2.gz SRWDLOHGLSLZJC-QGZVFWFLSA-N 0 0 443.366 5.536 50 0 IKAARN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000008590342 556188622 /nfs/dbraw/zinc/18/86/22/556188622.db2.gz JQYYLGOGKIZGLS-UHFFFAOYSA-N 0 0 433.305 5.274 50 0 IKAARN O=C(Nc1ccccc1Cl)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 ZINC000008589903 556188645 /nfs/dbraw/zinc/18/86/45/556188645.db2.gz LVRZINSYVDHYGP-UHFFFAOYSA-N 0 0 428.916 5.924 50 0 IKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccc2ccccc21 ZINC000008590624 556188960 /nfs/dbraw/zinc/18/89/60/556188960.db2.gz JGUWRWYXWRNYED-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2cc(Br)ccc2N(Cc2ccccc2)C1=O ZINC000008590662 556188962 /nfs/dbraw/zinc/18/89/62/556188962.db2.gz MWPBLFJZCXSBFK-XMMPIXPASA-N 0 0 447.332 5.022 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 ZINC000008591109 556188992 /nfs/dbraw/zinc/18/89/92/556188992.db2.gz WAZRQGWAVSCVPI-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000008603448 556190986 /nfs/dbraw/zinc/19/09/86/556190986.db2.gz LQDPDOFCPMKFDW-QHCPKHFHSA-N 0 0 431.536 5.052 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@H](CC)Cc2ccccc2)c1C ZINC000008604481 556191323 /nfs/dbraw/zinc/19/13/23/556191323.db2.gz JKQUMWJSNZTKGU-HSZRJFAPSA-N 0 0 432.564 5.086 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@@H](CC)Cc2ccccc2)c1C ZINC000008604479 556191336 /nfs/dbraw/zinc/19/13/36/556191336.db2.gz JKQUMWJSNZTKGU-QHCPKHFHSA-N 0 0 432.564 5.086 50 0 IKAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008604623 556191350 /nfs/dbraw/zinc/19/13/50/556191350.db2.gz SWPZJCZUXVEZBC-LJQANCHMSA-N 0 0 446.450 5.507 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008616639 556192638 /nfs/dbraw/zinc/19/26/38/556192638.db2.gz LLUHAQVUUCYDMX-UHFFFAOYSA-N 0 0 448.350 5.821 50 0 IKAARN S=C(Nc1ccccc1)N1CCC(C2CCN(C(=S)Nc3ccccc3)CC2)CC1 ZINC000008616492 556192693 /nfs/dbraw/zinc/19/26/93/556192693.db2.gz NLCABFBRJYAIKB-UHFFFAOYSA-N 0 0 438.666 5.204 50 0 IKAARN O=C(Nc1ccccc1SC[C@@H](O)Cn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000008618155 556192924 /nfs/dbraw/zinc/19/29/24/556192924.db2.gz JUBIBVTZKPGHEP-FQEVSTJZSA-N 0 0 436.964 5.700 50 0 IKAARN O=C1OC(c2cccnc2Sc2ccc(Cl)cc2)=N/C1=C\c1ccc(Cl)cc1 ZINC000008626799 556193832 /nfs/dbraw/zinc/19/38/32/556193832.db2.gz ULVIUXCFGJZQLU-PDGQHHTCSA-N 0 0 427.312 5.884 50 0 IKAARN CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000008636810 556194746 /nfs/dbraw/zinc/19/47/46/556194746.db2.gz GISBYAXEZRKIMY-JTQLQIEISA-N 0 0 427.353 6.000 50 0 IKAARN O=c1c2cc(-c3ccccc3)sc2n(Cc2ccccc2Cl)c(=O)n1-c1ccccc1 ZINC000008637019 556194951 /nfs/dbraw/zinc/19/49/51/556194951.db2.gz IFHTWMOTJUENDG-UHFFFAOYSA-N 0 0 444.943 5.583 50 0 IKAARN CSc1sc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C=CCC2 ZINC000008637217 556195400 /nfs/dbraw/zinc/19/54/00/556195400.db2.gz GRMZRCBTMNNJOM-UHFFFAOYSA-N 0 0 437.430 6.719 50 0 IKAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)ccnc1Oc1ccccc1 ZINC000008647721 556195604 /nfs/dbraw/zinc/19/56/04/556195604.db2.gz BDICQVRWFQCQDT-UHFFFAOYSA-N 0 0 441.236 6.130 50 0 IKAARN Cc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1Cc1c(F)cccc1Cl ZINC000008648032 556195705 /nfs/dbraw/zinc/19/57/05/556195705.db2.gz XIQLNEGRTAXBJC-UHFFFAOYSA-N 0 0 427.303 5.959 50 0 IKAARN COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)SCc2c(F)cccc2Cl)cc1 ZINC000008648206 556195936 /nfs/dbraw/zinc/19/59/36/556195936.db2.gz GZVXGYFRFGSICW-XMMPIXPASA-N 0 0 428.956 7.044 50 0 IKAARN COc1ccc(-c2c3c(N)c(C(=O)c4cccc(OC)c4)sc3nc3c2CCCC3)cc1 ZINC000008657475 556197327 /nfs/dbraw/zinc/19/73/27/556197327.db2.gz RFMQWULJDFAUTD-UHFFFAOYSA-N 0 0 444.556 5.673 50 0 IKAARN COc1cc(CNc2ccc(CNc3nc[nH]n3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000008682784 556199270 /nfs/dbraw/zinc/19/92/70/556199270.db2.gz UHPMYWRZRUUZKR-UHFFFAOYSA-N 0 0 449.942 5.270 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1nc(-c3ccccc3)cs1)C1c3ccccc3C2c2ccccc21 ZINC000008691547 556200557 /nfs/dbraw/zinc/20/05/57/556200557.db2.gz IKDRWQHOOLNCFI-MXXWWZHRSA-N 0 0 434.520 5.207 50 0 aggregator IKAARN O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000008715681 556201922 /nfs/dbraw/zinc/20/19/22/556201922.db2.gz QBBBQKLXRHRJKQ-ODJGSJHLSA-N 0 0 425.484 5.282 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000008715678 556202009 /nfs/dbraw/zinc/20/20/09/556202009.db2.gz JTXSKGZAHCUCJH-JFIJJZPASA-N 0 0 425.484 5.282 50 0 IKAARN CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000008739682 556205934 /nfs/dbraw/zinc/20/59/34/556205934.db2.gz RCZMECDXQMBQPO-UHFFFAOYSA-N 0 0 437.352 6.335 50 0 IKAARN Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c(Cl)c1 ZINC000008740953 556206560 /nfs/dbraw/zinc/20/65/60/556206560.db2.gz PWSAQAGYZPKQPL-UHFFFAOYSA-N 0 0 441.361 8.385 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000008740884 556206657 /nfs/dbraw/zinc/20/66/57/556206657.db2.gz COKVFQXVIVPJSY-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)o1 ZINC000008743372 556207701 /nfs/dbraw/zinc/20/77/01/556207701.db2.gz ZRCOSKIKYZGMFU-GHTZIAJQSA-N 0 0 433.722 6.791 50 0 IKAARN Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1ccc(Br)cc1)C(C)(C)N2 ZINC000008744309 556208527 /nfs/dbraw/zinc/20/85/27/556208527.db2.gz VDDBLILCBYBBLX-QOCHGBHMSA-N 0 0 431.424 6.749 50 0 IKAARN Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1[C@@H](C)c1ccccc1 ZINC000008745517 556209057 /nfs/dbraw/zinc/20/90/57/556209057.db2.gz SQTRLROLBGHQGF-SFHVURJKSA-N 0 0 431.609 5.746 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000008746059 556209739 /nfs/dbraw/zinc/20/97/39/556209739.db2.gz OABNDPXTTGYXIA-GFCCVEGCSA-N 0 0 425.464 5.462 50 0 IKAARN Cc1cc(-c2cccs2)c2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1 ZINC000008748686 556210337 /nfs/dbraw/zinc/21/03/37/556210337.db2.gz DVKXOEMEALJHBC-UHFFFAOYSA-N 0 0 432.574 5.369 50 0 IKAARN NC(=S)NNC(=Cc1nc(-c2ccccn2)cc2ccccc12)c1ccc(Cl)cc1 ZINC000008748845 556210353 /nfs/dbraw/zinc/21/03/53/556210353.db2.gz ZSZCHUWOCICJNX-ZHZULCJRSA-N 0 0 431.952 5.407 50 0 IKAARN Cc1cc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)ccc1Cl ZINC000008756305 556210967 /nfs/dbraw/zinc/21/09/67/556210967.db2.gz JDVHAXDHJCOZLP-UHFFFAOYSA-N 0 0 443.355 6.596 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1cccc2ccccc21 ZINC000008756274 556211003 /nfs/dbraw/zinc/21/10/03/556211003.db2.gz ILSIMNOPXWJUON-NRFANRHFSA-N 0 0 435.502 5.897 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)c(C(C)=O)c3c2)cc1 ZINC000008765713 556212370 /nfs/dbraw/zinc/21/23/70/556212370.db2.gz BLHULRBTNLYVHQ-UHFFFAOYSA-N 0 0 435.501 5.502 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Br)cc1)O2 ZINC000008768439 556212918 /nfs/dbraw/zinc/21/29/18/556212918.db2.gz ONDZOWGGSNBILP-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000008771220 556213537 /nfs/dbraw/zinc/21/35/37/556213537.db2.gz FPXPCILUEYYFDG-RXVVDRJESA-N 0 0 425.351 6.061 50 0 IKAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000008771690 556213629 /nfs/dbraw/zinc/21/36/29/556213629.db2.gz YKGZEKDUDOKSPX-SFHVURJKSA-N 0 0 434.348 5.732 50 0 IKAARN O=c1ccccc2c(/C=C\c3ccc(C(F)(F)F)cc3)nn(-c3cccc(Cl)c3)c21 ZINC000097474745 556216456 /nfs/dbraw/zinc/21/64/56/556216456.db2.gz FQKBECKXQLDBFZ-RAXLEYEMSA-N 0 0 426.825 6.228 50 0 IKAARN S=c1n(CN2CCCCC2)nc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000008809793 556216724 /nfs/dbraw/zinc/21/67/24/556216724.db2.gz YZMGREKNXYXDFN-UHFFFAOYSA-N 0 0 429.387 5.276 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)cc2)c1 ZINC000008814201 556217120 /nfs/dbraw/zinc/21/71/20/556217120.db2.gz RMZUFEDMQNWXOY-UHFFFAOYSA-N 0 0 447.494 5.722 50 0 IKAARN CC(C)(C)c1ccc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000008815617 556217139 /nfs/dbraw/zinc/21/71/39/556217139.db2.gz MZYDZDLSZVBYPK-UHFFFAOYSA-N 0 0 442.584 5.717 50 0 IKAARN Cc1nc(SCC(=O)Nc2nccs2)sc1Cc1cc(Cl)ccc1Cl ZINC000008818949 556218382 /nfs/dbraw/zinc/21/83/82/556218382.db2.gz DJBNCEYFEYSFJB-UHFFFAOYSA-N 0 0 430.407 5.536 50 0 IKAARN O=C(Nc1nnc(COc2ccccc2Cl)s1)Nc1ccc(Cl)cc1Cl ZINC000008836596 556225974 /nfs/dbraw/zinc/22/59/74/556225974.db2.gz IXLAFVHHHLQZGS-UHFFFAOYSA-N 0 0 429.716 5.721 50 0 IKAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)n1c2ccccc2c2c1CCCC2 ZINC000008836109 556226017 /nfs/dbraw/zinc/22/60/17/556226017.db2.gz PXPCUWGCAGIOKR-UHFFFAOYSA-N 0 0 437.615 5.929 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c(Cl)c1 ZINC000008836546 556226059 /nfs/dbraw/zinc/22/60/59/556226059.db2.gz KXQDIKVUBAADQW-YLJYHZDGSA-N 0 0 435.763 6.951 50 0 IKAARN CC1(C)C[C@H](NC(=S)Nc2ccccc2)C[C@](C)(CNC(=S)Nc2ccccc2)C1 ZINC000008846828 556227135 /nfs/dbraw/zinc/22/71/35/556227135.db2.gz LOOAQHXYFFVKPS-RDPSFJRHSA-N 0 0 440.682 5.545 50 0 IKAARN O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1Cl ZINC000008846321 556227197 /nfs/dbraw/zinc/22/71/97/556227197.db2.gz MGRZAXXHLAQKAV-UHFFFAOYSA-N 0 0 443.374 6.401 50 0 IKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1nc(SCc2ccccc2)ncc1Cl ZINC000008868252 556228738 /nfs/dbraw/zinc/22/87/38/556228738.db2.gz WBTVKYPEMVEPOT-UHFFFAOYSA-N 0 0 447.372 5.938 50 0 IKAARN O=C1NC(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000008875279 556230293 /nfs/dbraw/zinc/23/02/93/556230293.db2.gz HUXLIEVQDZVVIG-HYARGMPZSA-N 0 0 427.891 5.440 50 0 IKAARN COc1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(OC)cc4)cccc23)cc1 ZINC000008873627 556230295 /nfs/dbraw/zinc/23/02/95/556230295.db2.gz JRMIOFKNBVIIQT-UHFFFAOYSA-N 0 0 426.472 5.362 50 0 IKAARN Cc1ccc(-c2nnc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)o2)cc1 ZINC000008906137 556231512 /nfs/dbraw/zinc/23/15/12/556231512.db2.gz ICDFAUDQICGYCR-UHFFFAOYSA-N 0 0 427.504 5.853 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000008904609 556231594 /nfs/dbraw/zinc/23/15/94/556231594.db2.gz DDENNPAJUIFIQT-UHFFFAOYSA-N 0 0 442.559 5.933 50 0 IKAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008913970 556231959 /nfs/dbraw/zinc/23/19/59/556231959.db2.gz QFANSAHOUVUNCO-BJKOFHAPSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000008914039 556232017 /nfs/dbraw/zinc/23/20/17/556232017.db2.gz KULRLDIJQQLLPJ-UHFFFAOYSA-N 0 0 436.364 6.108 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000008913971 556232065 /nfs/dbraw/zinc/23/20/65/556232065.db2.gz QFANSAHOUVUNCO-RPWUZVMVSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000008913972 556232143 /nfs/dbraw/zinc/23/21/43/556232143.db2.gz QFANSAHOUVUNCO-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccc(Cl)cc2Cl)c1C(N)=O ZINC000008915877 556232459 /nfs/dbraw/zinc/23/24/59/556232459.db2.gz GYRKMZGGDRHMHI-UHFFFAOYSA-N 0 0 449.359 5.071 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(NC(C)=O)cc1)C(C)(C)N2 ZINC000008916751 556232786 /nfs/dbraw/zinc/23/27/86/556232786.db2.gz UYNPWJSSBBHQHC-FLFQWRMESA-N 0 0 425.579 5.727 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(OCC)ccc2NC3(C)C)cc1 ZINC000008916856 556232833 /nfs/dbraw/zinc/23/28/33/556232833.db2.gz ZFJDKTSXOITUEC-FLFQWRMESA-N 0 0 440.590 5.945 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000008916924 556232891 /nfs/dbraw/zinc/23/28/91/556232891.db2.gz HHIFAFRWLKOALI-UHFFFAOYSA-N 0 0 443.553 6.145 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000008919415 556233155 /nfs/dbraw/zinc/23/31/55/556233155.db2.gz YWOAIROHJWILIC-UHFFFAOYSA-N 0 0 432.545 6.403 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1nc(-c3ccccc3)cs1)C1c3ccccc3C2c2ccccc21 ZINC000008920335 556233344 /nfs/dbraw/zinc/23/33/44/556233344.db2.gz IKDRWQHOOLNCFI-SNDHGLFQSA-N 0 0 434.520 5.207 50 0 aggregator IKAARN O=c1oc2ccccc2c2c1C(c1ccc(Cl)cc1)c1c(=O)oc3ccccc3c1O2 ZINC000008921686 556233383 /nfs/dbraw/zinc/23/33/83/556233383.db2.gz VWDMIBSYHWAXDL-UHFFFAOYSA-N 0 0 428.827 5.839 50 0 IKAARN Cc1cc2nc(N(Cc3ccccn3)C(=O)CSCc3ccccc3)sc2c(C)c1 ZINC000010610821 556235066 /nfs/dbraw/zinc/23/50/66/556235066.db2.gz ZILITHJPVQIJIX-UHFFFAOYSA-N 0 0 433.602 5.775 50 0 IKAARN COc1ccccc1-n1c(/C=C/c2cc(Br)ccc2O)nc2ccccc2c1=O ZINC000008951220 556235755 /nfs/dbraw/zinc/23/57/55/556235755.db2.gz JECXZDRPUNBRON-JLHYYAGUSA-N 0 0 449.304 5.033 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)cc1 ZINC000008968644 556237174 /nfs/dbraw/zinc/23/71/74/556237174.db2.gz TZIANBMWAMNHFE-UHFFFAOYSA-N 0 0 427.371 5.363 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1OC ZINC000009010435 556240855 /nfs/dbraw/zinc/24/08/55/556240855.db2.gz XDDMLOFEAHGDEO-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000009042008 556241899 /nfs/dbraw/zinc/24/18/99/556241899.db2.gz RPSKPZUATCCQOV-SQJMNOBHSA-N 0 0 434.923 5.908 50 0 IKAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)Nc1ccc(Cl)cc1Cl ZINC000009042167 556241913 /nfs/dbraw/zinc/24/19/13/556241913.db2.gz OPLYYUDCPDMWQL-UHFFFAOYSA-N 0 0 444.141 5.918 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000009035539 556242046 /nfs/dbraw/zinc/24/20/46/556242046.db2.gz FUTWXPSZLPRXIS-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN COc1cccc(-n2c(/C=C/c3cc(Br)ccc3O)nc3ccccc3c2=O)c1 ZINC000009056788 556243241 /nfs/dbraw/zinc/24/32/41/556243241.db2.gz WWQODXGHIQZQCU-FMIVXFBMSA-N 0 0 449.304 5.033 50 0 IKAARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)c2ccc(F)cc2)c1-c1nc2ccccc2[nH]1 ZINC000009060439 556243993 /nfs/dbraw/zinc/24/39/93/556243993.db2.gz HXRKPYXTLYZXLZ-IBGZPJMESA-N 0 0 432.499 5.219 50 0 IKAARN S=C(NCc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000009076057 556245101 /nfs/dbraw/zinc/24/51/01/556245101.db2.gz XBYNTHBVWIVYDR-LJQANCHMSA-N 0 0 440.366 5.268 50 0 IKAARN Clc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c(Cl)c1 ZINC000009088368 556245818 /nfs/dbraw/zinc/24/58/18/556245818.db2.gz FFKNYXSUYUQCQE-UHFFFAOYSA-N 0 0 440.153 5.373 50 0 IKAARN COc1ccc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2ccc3ccccc3n2)cc1OC ZINC000009090913 556246113 /nfs/dbraw/zinc/24/61/13/556246113.db2.gz RSZIVBFIHKXPIZ-SANMLTNESA-N 0 0 437.499 5.174 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N[C@](C)(c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000009097309 556247034 /nfs/dbraw/zinc/24/70/34/556247034.db2.gz XTDLESGUKNUCHG-SANMLTNESA-N 0 0 432.520 5.573 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000009095743 556247050 /nfs/dbraw/zinc/24/70/50/556247050.db2.gz XSFGWIXOSTZIEJ-UHFFFAOYSA-N 0 0 441.478 5.834 50 0 IKAARN CC(=O)Nc1c(Br)cc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000009096704 556247107 /nfs/dbraw/zinc/24/71/07/556247107.db2.gz NTAJWROAEQDQHO-UHFFFAOYSA-N 0 0 427.180 5.638 50 0 IKAARN COc1cccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OC ZINC000009171897 556249776 /nfs/dbraw/zinc/24/97/76/556249776.db2.gz QFGOUAAQXADPFZ-HXUWFJFHSA-N 0 0 425.488 5.031 50 0 IKAARN COc1ccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(Sc3ccccc3)nc2c1 ZINC000009186760 556250870 /nfs/dbraw/zinc/25/08/70/556250870.db2.gz CGZMLDHHOVSHQZ-HAHDFKILSA-N 0 0 438.508 5.739 50 0 IKAARN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc2c(Cl)cccc12 ZINC000009191792 556254082 /nfs/dbraw/zinc/25/40/82/556254082.db2.gz BLVPUBASWANNNM-UHFFFAOYSA-N 0 0 432.310 6.942 50 0 IKAARN Cc1ccccc1Oc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000009203008 556257758 /nfs/dbraw/zinc/25/77/58/556257758.db2.gz QWNKXHMLMPHENI-HSZRJFAPSA-N 0 0 442.515 5.437 50 0 IKAARN Cc1ccc(CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000009224561 556258327 /nfs/dbraw/zinc/25/83/27/556258327.db2.gz RKCBRLDGZNXFPF-AREMUKBSSA-N 0 0 443.978 6.295 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccccc1)[C@H]3c1ccc(C)cc1 ZINC000009224569 556258341 /nfs/dbraw/zinc/25/83/41/556258341.db2.gz RIPWQVCNSDEYLR-SANMLTNESA-N 0 0 425.532 5.342 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCCc1ccccc1)[C@@H]3c1ccc(C)cc1 ZINC000009224574 556258367 /nfs/dbraw/zinc/25/83/67/556258367.db2.gz HFSCSJUSLMITMU-HHHXNRCGSA-N 0 0 439.559 5.385 50 0 IKAARN CC(C)CNC(=O)c1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000009225064 556258927 /nfs/dbraw/zinc/25/89/27/556258927.db2.gz IHLXVGJGLDILIY-UHFFFAOYSA-N 0 0 425.381 5.251 50 0 IKAARN O=C(CSCc1ccccc1Cl)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000009225085 556258950 /nfs/dbraw/zinc/25/89/50/556258950.db2.gz UMHCCHLCHHHEIY-UHFFFAOYSA-N 0 0 442.968 5.141 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(Cl)cc3)C2=O)cc1 ZINC000009225571 556259204 /nfs/dbraw/zinc/25/92/04/556259204.db2.gz QHOMDJHEIMFBIB-DEOSSOPVSA-N 0 0 434.948 5.128 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000009225595 556259272 /nfs/dbraw/zinc/25/92/72/556259272.db2.gz BBKMKRZBEGNVEF-MHZLTWQESA-N 0 0 442.584 5.598 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000009225626 556259534 /nfs/dbraw/zinc/25/95/34/556259534.db2.gz GIWIJHITQRGHSK-DEOSSOPVSA-N 0 0 434.948 5.128 50 0 IKAARN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000009232772 556261975 /nfs/dbraw/zinc/26/19/75/556261975.db2.gz AGHGNLBWJZRMII-OVCLIPMQSA-N 0 0 432.250 6.249 50 0 IKAARN CC1CCN(C(=S)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000009233280 556262019 /nfs/dbraw/zinc/26/20/19/556262019.db2.gz ZSPHWIYINLDTER-UHFFFAOYSA-N 0 0 437.392 5.418 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000009233912 556262808 /nfs/dbraw/zinc/26/28/08/556262808.db2.gz NWXXVUCPQIPIAU-UHFFFAOYSA-N 0 0 429.329 5.920 50 0 IKAARN O=C1N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000009260501 556268426 /nfs/dbraw/zinc/26/84/26/556268426.db2.gz NTRZSTMYOKYJHF-LPYMAVHISA-N 0 0 436.870 5.151 50 0 IKAARN COCc1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1-c1ccc(OC)c(OC)c1 ZINC000009261136 556269001 /nfs/dbraw/zinc/26/90/01/556269001.db2.gz OTLDEJBLHYVKNT-UHFFFAOYSA-N 0 0 449.454 5.307 50 0 IKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 ZINC000009288255 556272754 /nfs/dbraw/zinc/27/27/54/556272754.db2.gz KQQSFLIRQBFRIC-JOCHJYFZSA-N 0 0 432.886 5.756 50 0 IKAARN COc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)n2-c2ccccc2)cc1 ZINC000009289313 556273786 /nfs/dbraw/zinc/27/37/86/556273786.db2.gz RAGTXGGQGAGLSA-UHFFFAOYSA-N 0 0 428.561 5.095 50 0 IKAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1CCc1ccccc1 ZINC000009293086 556274282 /nfs/dbraw/zinc/27/42/82/556274282.db2.gz CIURACXCVRHDIH-XMMPIXPASA-N 0 0 429.907 5.224 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000009302025 556275924 /nfs/dbraw/zinc/27/59/24/556275924.db2.gz XAXDTFNVBZJCLK-UHFFFAOYSA-N 0 0 426.501 5.616 50 0 IKAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)c1sn(-c3ccc(C(C)C)cc3)c(=S)c1-2 ZINC000009303574 556276210 /nfs/dbraw/zinc/27/62/10/556276210.db2.gz RDUFCLDYCCJIBH-UHFFFAOYSA-N 0 0 434.586 6.145 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000009307100 556276814 /nfs/dbraw/zinc/27/68/14/556276814.db2.gz PWMVKSMWFUOOTF-GOSISDBHSA-N 0 0 443.576 5.574 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2cccc(Cl)c2)[C@H](c2ccc3nccnc3c2)C1 ZINC000013687294 556277038 /nfs/dbraw/zinc/27/70/38/556277038.db2.gz YDOXYWKDENPJCZ-QHCPKHFHSA-N 0 0 442.906 5.283 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2Cc2ccco2)cc1 ZINC000009307281 556277172 /nfs/dbraw/zinc/27/71/72/556277172.db2.gz YHGXFKNKZYPODI-UHFFFAOYSA-N 0 0 446.576 5.749 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1 ZINC000009307345 556277186 /nfs/dbraw/zinc/27/71/86/556277186.db2.gz FQOWXHPNZFMBPD-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000009307176 556277218 /nfs/dbraw/zinc/27/72/18/556277218.db2.gz CNUPOLPJLZPEBG-UHFFFAOYSA-N 0 0 438.940 5.279 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 ZINC000013687778 556277403 /nfs/dbraw/zinc/27/74/03/556277403.db2.gz ZFHXORCCFJGVHI-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 ZINC000009307655 556277504 /nfs/dbraw/zinc/27/75/04/556277504.db2.gz LSGRUPSLOZYBGQ-UHFFFAOYSA-N 0 0 431.561 5.764 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2-c2ccccc2)cc1 ZINC000009307744 556277545 /nfs/dbraw/zinc/27/75/45/556277545.db2.gz SABYOIKJVIJTSO-UHFFFAOYSA-N 0 0 442.588 6.097 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2cccc(C)c2)cc1 ZINC000009308033 556277564 /nfs/dbraw/zinc/27/75/64/556277564.db2.gz SQYXLNYILOTJOX-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 ZINC000009308143 556277851 /nfs/dbraw/zinc/27/78/51/556277851.db2.gz KBKKWVBPDNWFLN-OAHLLOKOSA-N 0 0 428.989 5.863 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000009308923 556277873 /nfs/dbraw/zinc/27/78/73/556277873.db2.gz SHUDUJXXKSLQQP-UHFFFAOYSA-N 0 0 445.544 5.317 50 0 IKAARN COc1cccc(-c2nnc(SCc3ccccc3F)n2-c2ccc(Cl)cc2)c1 ZINC000009308110 556277886 /nfs/dbraw/zinc/27/78/86/556277886.db2.gz MJCDHWJXNGLXRS-UHFFFAOYSA-N 0 0 425.916 6.028 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)cc1 ZINC000009309243 556278509 /nfs/dbraw/zinc/27/85/09/556278509.db2.gz LPUZLILZVFEQSU-UHFFFAOYSA-N 0 0 428.561 5.590 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000009309284 556278518 /nfs/dbraw/zinc/27/85/18/556278518.db2.gz TVWXGLFHGSZSLU-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN COc1cccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccc(Cl)cc2)c1 ZINC000009309201 556278551 /nfs/dbraw/zinc/27/85/51/556278551.db2.gz GTZWWNAPIVTHKZ-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2cccc(C)c2)cc1 ZINC000009309193 556278560 /nfs/dbraw/zinc/27/85/60/556278560.db2.gz NNOUPDXQVIZCCM-UHFFFAOYSA-N 0 0 442.588 5.899 50 0 IKAARN O=C(COc1ccc(Cl)cc1)n1c2ccccc2nc1SCc1ccc(F)cc1 ZINC000009310131 556278837 /nfs/dbraw/zinc/27/88/37/556278837.db2.gz OPJGJXHKRGLBFK-UHFFFAOYSA-N 0 0 426.900 5.840 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1F ZINC000009309556 556278869 /nfs/dbraw/zinc/27/88/69/556278869.db2.gz TYMPLJVEXMMAGG-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013690533 556279721 /nfs/dbraw/zinc/27/97/21/556279721.db2.gz QCTJPMWJLQNBEC-NRFANRHFSA-N 0 0 425.319 5.294 50 0 IKAARN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000009323354 556281355 /nfs/dbraw/zinc/28/13/55/556281355.db2.gz QYVSZERNOLSBGF-YZSQISJMSA-N 0 0 448.522 5.820 50 0 IKAARN Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(Sc2nc3ccccc3[nH]2)n1 ZINC000009327428 556282056 /nfs/dbraw/zinc/28/20/56/556282056.db2.gz DAYWZBCRUWICGN-UHFFFAOYSA-N 0 0 439.548 6.003 50 0 IKAARN CC[C@@]1(C)C[C@@](CCNC(=O)c2ccc(OC(C)(C)C)cc2)(c2ccc(F)cc2)CCO1 ZINC000009327349 556282073 /nfs/dbraw/zinc/28/20/73/556282073.db2.gz RIBIQRJPMSFPRS-SVBPBHIXSA-N 0 0 441.587 6.040 50 0 IKAARN CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000009329184 556282708 /nfs/dbraw/zinc/28/27/08/556282708.db2.gz SJWRXHOSHMUTGD-UHFFFAOYSA-N 0 0 428.989 5.104 50 0 IKAARN COc1ccc(-c2nc(/N=c3\cc(-c4cccs4)oc4ccccc43)sc2C)cc1 ZINC000013693826 556283278 /nfs/dbraw/zinc/28/32/78/556283278.db2.gz XYBGZFUJFXLYMG-NCELDCMTSA-N 0 0 430.554 6.834 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000013713280 556285416 /nfs/dbraw/zinc/28/54/16/556285416.db2.gz VWQIASPGQISLOM-GOTSBHOMSA-N 0 0 448.860 5.422 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 ZINC000009360210 556285808 /nfs/dbraw/zinc/28/58/08/556285808.db2.gz CCRKHVPCXLUMTK-UHFFFAOYSA-N 0 0 427.371 5.363 50 0 IKAARN Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1 ZINC000009371640 556286079 /nfs/dbraw/zinc/28/60/79/556286079.db2.gz WVBNZRGIIBRSPR-QFIPXVFZSA-N 0 0 435.907 5.128 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1 ZINC000009380146 556287029 /nfs/dbraw/zinc/28/70/29/556287029.db2.gz HFPWOBRGXLQVBE-UHFFFAOYSA-N 0 0 434.546 5.012 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C ZINC000009410102 556288142 /nfs/dbraw/zinc/28/81/42/556288142.db2.gz ULUMPHXLPOBNTH-UHFFFAOYSA-N 0 0 436.899 5.404 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000009410374 556288182 /nfs/dbraw/zinc/28/81/82/556288182.db2.gz BGTQDQSOFJSZIH-UKRRQHHQSA-N 0 0 428.773 5.181 50 0 IKAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000009428449 556290882 /nfs/dbraw/zinc/29/08/82/556290882.db2.gz PEAWUHWNJQBCHS-AREMUKBSSA-N 0 0 448.607 5.232 50 0 IKAARN c1ccc2c(c1)ccc1c2Oc2ncn3nc(-c4ccncc4)nc3c2[C@H]1c1cccnc1 ZINC000009433860 556291275 /nfs/dbraw/zinc/29/12/75/556291275.db2.gz DQYLFUCOTFKMJI-NRFANRHFSA-N 0 0 428.455 5.020 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000013723982 556291833 /nfs/dbraw/zinc/29/18/33/556291833.db2.gz FKHKJBXTWFDKRB-UHFFFAOYSA-N 0 0 437.568 6.039 50 0 IKAARN Clc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)c(Cl)c1 ZINC000009459506 556292742 /nfs/dbraw/zinc/29/27/42/556292742.db2.gz RLMXNGHYHZTWPS-UHFFFAOYSA-N 0 0 437.355 6.277 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000009457032 556292757 /nfs/dbraw/zinc/29/27/57/556292757.db2.gz VAMUOLJAIJQGGF-PXNSSMCTSA-N 0 0 445.769 6.406 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000009457027 556292829 /nfs/dbraw/zinc/29/28/29/556292829.db2.gz VAMUOLJAIJQGGF-FXAWDEMLSA-N 0 0 445.769 6.406 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(Cl)cc4)C32)cc1 ZINC000009495834 556294887 /nfs/dbraw/zinc/29/48/87/556294887.db2.gz ZHUAVJIBMUZNCL-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 ZINC000009497490 556295094 /nfs/dbraw/zinc/29/50/94/556295094.db2.gz SNGAYNGCAKQXRN-UHFFFAOYSA-N 0 0 432.549 5.188 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC ZINC000009496776 556295171 /nfs/dbraw/zinc/29/51/71/556295171.db2.gz RYURAQNSDVVOCI-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1C ZINC000009499889 556295403 /nfs/dbraw/zinc/29/54/03/556295403.db2.gz QPGVLEACSICXSW-UHFFFAOYSA-N 0 0 436.512 5.073 50 0 IKAARN Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 ZINC000009499140 556295453 /nfs/dbraw/zinc/29/54/53/556295453.db2.gz RZQOHGRTCXIKMV-UHFFFAOYSA-N 0 0 435.354 7.386 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000009499355 556295536 /nfs/dbraw/zinc/29/55/36/556295536.db2.gz GSXLKQMKIFMMMV-UHFFFAOYSA-N 0 0 440.451 5.057 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000009525776 556296046 /nfs/dbraw/zinc/29/60/46/556296046.db2.gz RGNZHUYTBASXLR-UHFFFAOYSA-N 0 0 438.527 5.931 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000009525797 556296056 /nfs/dbraw/zinc/29/60/56/556296056.db2.gz CLJFNAVPEVUWQJ-UHFFFAOYSA-N 0 0 446.890 5.359 50 0 IKAARN Cc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cccc3ccccc32)cc1 ZINC000013732372 556296045 /nfs/dbraw/zinc/29/60/45/556296045.db2.gz REIPHDPTXZQDSN-UHFFFAOYSA-N 0 0 433.621 5.070 50 0 IKAARN CCCCCC1CCC(c2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)CC1 ZINC000009553545 556297723 /nfs/dbraw/zinc/29/77/23/556297723.db2.gz FAJBOOAFFCYAST-UHFFFAOYSA-N 0 0 434.580 7.275 50 0 IKAARN CSc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 ZINC000013739161 556298168 /nfs/dbraw/zinc/29/81/68/556298168.db2.gz UBEPKCCMZRADOG-UHFFFAOYSA-N 0 0 443.424 8.249 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000009559798 556298291 /nfs/dbraw/zinc/29/82/91/556298291.db2.gz VAHBVODPVHQBIS-QGZVFWFLSA-N 0 0 437.923 5.357 50 0 IKAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000013748944 556298447 /nfs/dbraw/zinc/29/84/47/556298447.db2.gz REBKHNLELVQJEE-QGZVFWFLSA-N 0 0 426.369 5.803 50 0 IKAARN CCOC(=O)c1[nH]c2c(c1CCC1CCCCC1)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 ZINC000009559838 556298530 /nfs/dbraw/zinc/29/85/30/556298530.db2.gz RTRCIQYFDMVLOP-FQEVSTJZSA-N 0 0 437.580 6.016 50 0 IKAARN Cc1cc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl ZINC000013749431 556298821 /nfs/dbraw/zinc/29/88/21/556298821.db2.gz FZJAVIZYHQOMGR-UHFFFAOYSA-N 0 0 448.994 5.269 50 0 IKAARN Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009581413 556300695 /nfs/dbraw/zinc/30/06/95/556300695.db2.gz UUNDREMLDCCBME-HSZRJFAPSA-N 0 0 440.948 5.255 50 0 IKAARN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000009581470 556300699 /nfs/dbraw/zinc/30/06/99/556300699.db2.gz RYHJQVMKGAKULU-IBGZPJMESA-N 0 0 426.516 5.702 50 0 IKAARN Cc1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc1-c1ccc(Cl)cc1 ZINC000009581720 556300729 /nfs/dbraw/zinc/30/07/29/556300729.db2.gz WVOKBPWDDYPWBN-INIZCTEOSA-N 0 0 425.941 5.072 50 0 IKAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000009581524 556300819 /nfs/dbraw/zinc/30/08/19/556300819.db2.gz GRLNPKYEQYIKAZ-UHFFFAOYSA-N 0 0 440.503 5.641 50 0 IKAARN CC(C)[C@@H]1O[C@H](c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)OCC1(C)C ZINC000009584807 556301060 /nfs/dbraw/zinc/30/10/60/556301060.db2.gz XFTCCBHTEDMMLI-XTEPFMGCSA-N 0 0 443.587 6.553 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3cc(C)ccc3n2)cc1 ZINC000009583405 556301099 /nfs/dbraw/zinc/30/10/99/556301099.db2.gz OLHHVMAQLRODPK-UHFFFAOYSA-N 0 0 432.317 6.500 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013758229 556301205 /nfs/dbraw/zinc/30/12/05/556301205.db2.gz JEQQFEUEUJJGBJ-CYFREDJKSA-N 0 0 434.879 5.320 50 0 IKAARN Clc1ccc(-c2ccc([C@@H]3Oc4ccccc4[C@@H]4CC(c5cccs5)=NN43)o2)cc1 ZINC000009593063 556301502 /nfs/dbraw/zinc/30/15/02/556301502.db2.gz KWFMTDGEKLYMFB-CYFREDJKSA-N 0 0 432.932 6.904 50 0 IKAARN COc1ccccc1-c1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1 ZINC000009597848 556301746 /nfs/dbraw/zinc/30/17/46/556301746.db2.gz DYQPTOWXLGYGQN-UHFFFAOYSA-N 0 0 443.290 5.154 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc2ccccc2o1 ZINC000009595114 556301797 /nfs/dbraw/zinc/30/17/97/556301797.db2.gz ZFZRHDZVGWTQJK-UHFFFAOYSA-N 0 0 442.544 6.156 50 0 IKAARN COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013759452 556301806 /nfs/dbraw/zinc/30/18/06/556301806.db2.gz XJTIZVWYNQJXHT-UHFFFAOYSA-N 0 0 440.543 5.681 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccc(Cl)c3)on1)CCCC2 ZINC000009597872 556302029 /nfs/dbraw/zinc/30/20/29/556302029.db2.gz OFJMEGHTLUXIPI-UHFFFAOYSA-N 0 0 430.913 5.364 50 0 IKAARN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2C1 ZINC000009597943 556302117 /nfs/dbraw/zinc/30/21/17/556302117.db2.gz PORSHRGDSAHHFY-CQSZACIVSA-N 0 0 447.366 5.630 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000009597948 556302176 /nfs/dbraw/zinc/30/21/76/556302176.db2.gz WTAKMPLYJOLDIH-QGZVFWFLSA-N 0 0 440.975 5.593 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2c2ccccc2)cc1OC ZINC000013764687 556302488 /nfs/dbraw/zinc/30/24/88/556302488.db2.gz NQZXREUHGYBSJY-MHZLTWQESA-N 0 0 434.539 6.727 50 0 IKAARN Brc1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)cc1 ZINC000013765126 556302743 /nfs/dbraw/zinc/30/27/43/556302743.db2.gz UZZWSFICMGCSSF-UHFFFAOYSA-N 0 0 425.329 7.326 50 0 IKAARN Clc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccncc2)Nc2ccccc2-3)cc1 ZINC000009601909 556302785 /nfs/dbraw/zinc/30/27/85/556302785.db2.gz KWHFOKOPXQNIRK-FQEVSTJZSA-N 0 0 433.924 5.382 50 0 IKAARN COc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000009601837 556302809 /nfs/dbraw/zinc/30/28/09/556302809.db2.gz DYSOMQFBRCCIJC-QFIPXVFZSA-N 0 0 428.517 5.343 50 0 IKAARN CCCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606773 556303004 /nfs/dbraw/zinc/30/30/04/556303004.db2.gz CAIIBFWYDQHXBI-UHFFFAOYSA-N 0 0 431.355 5.638 50 0 IKAARN CCOc1ccccc1C(=O)N(CC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606794 556303036 /nfs/dbraw/zinc/30/30/36/556303036.db2.gz QNOLFMOQUHNFRN-UHFFFAOYSA-N 0 0 431.355 5.638 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccccc3)no2)s1 ZINC000032741395 556303008 /nfs/dbraw/zinc/30/30/08/556303008.db2.gz SAGWJNJOCJRSDQ-UHFFFAOYSA-N 0 0 431.561 5.311 50 0 IKAARN Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000009606520 556303100 /nfs/dbraw/zinc/30/31/00/556303100.db2.gz PBGXZANPRWDLNE-FQEVSTJZSA-N 0 0 446.284 6.832 50 0 IKAARN Fc1ccc([C@H](Nc2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c(Cl)c1 ZINC000009606650 556303116 /nfs/dbraw/zinc/30/31/16/556303116.db2.gz UABTZILMFKFRTB-IBGZPJMESA-N 0 0 432.257 6.523 50 0 IKAARN CCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606904 556303124 /nfs/dbraw/zinc/30/31/24/556303124.db2.gz IBTBIHCCOPHLNH-UHFFFAOYSA-N 0 0 430.371 6.248 50 0 IKAARN CCCN(C(=O)Nc1ccc(F)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607016 556303295 /nfs/dbraw/zinc/30/32/95/556303295.db2.gz GNQHWUTYQTUNIP-UHFFFAOYSA-N 0 0 437.584 7.445 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1C ZINC000009607336 556303302 /nfs/dbraw/zinc/30/33/02/556303302.db2.gz ROUAXJJMQAHHAP-NRFANRHFSA-N 0 0 432.911 5.918 50 0 IKAARN CCCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009607084 556303318 /nfs/dbraw/zinc/30/33/18/556303318.db2.gz RMUQEURAWORZRA-UHFFFAOYSA-N 0 0 447.648 7.923 50 0 IKAARN C[C@@H](Sc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1nnc(-c2cccs2)o1 ZINC000032741643 556303401 /nfs/dbraw/zinc/30/34/01/556303401.db2.gz LJIHNCQMHZTZJI-VHSXEESVSA-N 0 0 429.596 5.363 50 0 IKAARN S=c1n(CN2CC[C@@H](c3ccccc3)C2)nc(COc2ccccc2)n1-c1ccccc1 ZINC000009614323 556303587 /nfs/dbraw/zinc/30/35/87/556303587.db2.gz KXMAZWIKBGZDDL-JOCHJYFZSA-N 0 0 442.588 5.429 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1 ZINC000032741813 556303606 /nfs/dbraw/zinc/30/36/06/556303606.db2.gz DRRSZVNLMCAMMF-UHFFFAOYSA-N 0 0 443.532 5.107 50 0 IKAARN O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000009614296 556303646 /nfs/dbraw/zinc/30/36/46/556303646.db2.gz WDYJBPNECTWQBO-VWLOTQADSA-N 0 0 428.513 5.181 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1C ZINC000009614798 556303956 /nfs/dbraw/zinc/30/39/56/556303956.db2.gz VEANUHBKTMIWTM-UHFFFAOYSA-N 0 0 431.517 5.258 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@]1(O)c2cc(Br)ccc2N(Cc2ccccc2)C1=O ZINC000009614450 556303975 /nfs/dbraw/zinc/30/39/75/556303975.db2.gz MWPBLFJZCXSBFK-DEOSSOPVSA-N 0 0 447.332 5.022 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc(OC)c1OC ZINC000013768463 556304313 /nfs/dbraw/zinc/30/43/13/556304313.db2.gz IETLLEJSUPDFJV-LVXARBLLSA-N 0 0 430.504 5.263 50 0 IKAARN CCc1ccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009661649 556304645 /nfs/dbraw/zinc/30/46/45/556304645.db2.gz SUKHUQHOSNTAJG-UHFFFAOYSA-N 0 0 448.526 5.002 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013769283 556304660 /nfs/dbraw/zinc/30/46/60/556304660.db2.gz CUUHNKSDTZCGIL-YKSBVNFPSA-N 0 0 434.879 5.320 50 0 IKAARN Cc1cc2sc(NC(=O)c3cccc(I)c3)nc2cc1Cl ZINC000009667268 556304854 /nfs/dbraw/zinc/30/48/54/556304854.db2.gz GTRSBISCQTXIBP-UHFFFAOYSA-N 0 0 428.682 5.115 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)nn1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000009667830 556305206 /nfs/dbraw/zinc/30/52/06/556305206.db2.gz MYOXQHUPPCDXLG-UHFFFAOYSA-N 0 0 439.953 5.046 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3Cl)=NN21 ZINC000013770922 556305318 /nfs/dbraw/zinc/30/53/18/556305318.db2.gz ZYSNQWMPQUZZHS-OFNKIYASSA-N 0 0 425.315 6.244 50 0 IKAARN CCCCn1c2ccccc2c2nnc(SCn3c4ccccc4sc3=S)nc21 ZINC000009668854 556305429 /nfs/dbraw/zinc/30/54/29/556305429.db2.gz KBZMBXXZEMJCNO-UHFFFAOYSA-N 0 0 437.619 6.275 50 0 IKAARN C/C(=C\c1nsc(Nc2ccc(Cl)c(Cl)c2)n1)NCc1ccc2c(c1)OCO2 ZINC000009673006 556305476 /nfs/dbraw/zinc/30/54/76/556305476.db2.gz SCAAZZNSTOUSNG-IZZDOVSWSA-N 0 0 435.336 5.468 50 0 IKAARN CC[C@@H](CNC(=O)[C@@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 ZINC000032736582 556306555 /nfs/dbraw/zinc/30/65/55/556306555.db2.gz GPQZWIPBQXEOOR-CVEARBPZSA-N 0 0 442.610 5.081 50 0 IKAARN CC[C@H](CNC(=O)[C@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 ZINC000032736585 556306715 /nfs/dbraw/zinc/30/67/15/556306715.db2.gz GPQZWIPBQXEOOR-JKSUJKDBSA-N 0 0 442.610 5.081 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc(OC)c1OC ZINC000013776161 556307193 /nfs/dbraw/zinc/30/71/93/556307193.db2.gz WKLXYFDORGXFTG-CUNXSJBXSA-N 0 0 444.531 5.572 50 0 IKAARN Cc1cccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)c1 ZINC000013776089 556307208 /nfs/dbraw/zinc/30/72/08/556307208.db2.gz VDSDXJKMIRMUBJ-XMMPIXPASA-N 0 0 440.506 6.539 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000013776950 556307450 /nfs/dbraw/zinc/30/74/50/556307450.db2.gz VIPGAIURSIAFSV-AOYPEHQESA-N 0 0 432.951 6.714 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1Cl ZINC000013776432 556307475 /nfs/dbraw/zinc/30/74/75/556307475.db2.gz YHLOHODZHWFWOD-WMZHIEFXSA-N 0 0 439.298 5.964 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000013785627 556308854 /nfs/dbraw/zinc/30/88/54/556308854.db2.gz OLZQGPCJZHUFQL-OAQYLSRUSA-N 0 0 425.315 5.994 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013785711 556308877 /nfs/dbraw/zinc/30/88/77/556308877.db2.gz YLDPJMZMPKQVDV-SQJMNOBHSA-N 0 0 446.865 5.828 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 ZINC000009805555 556309427 /nfs/dbraw/zinc/30/94/27/556309427.db2.gz IBTKFKNYHFDQMZ-UHFFFAOYSA-N 0 0 443.551 5.144 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000013787257 556309498 /nfs/dbraw/zinc/30/94/98/556309498.db2.gz XDIYZRSPOZLWSK-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000013799336 556309877 /nfs/dbraw/zinc/30/98/77/556309877.db2.gz JCOSWLKWFVQNSZ-VPUSJEBWSA-N 0 0 446.978 7.070 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000009830269 556310338 /nfs/dbraw/zinc/31/03/38/556310338.db2.gz XRZVOZZCEUBYKL-DEOSSOPVSA-N 0 0 430.548 5.142 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000009830252 556310413 /nfs/dbraw/zinc/31/04/13/556310413.db2.gz DVWLOTPOBZTQMW-UHFFFAOYSA-N 0 0 428.891 5.380 50 0 IKAARN Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccc(F)cc4)cc3)[nH]2)cc1 ZINC000013801921 556310544 /nfs/dbraw/zinc/31/05/44/556310544.db2.gz JGVSKIPFZLOAFL-UHFFFAOYSA-N 0 0 432.498 7.089 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1 ZINC000013804129 556310891 /nfs/dbraw/zinc/31/08/91/556310891.db2.gz OILMTSXMIUVPTO-UHFFFAOYSA-N 0 0 448.548 5.024 50 0 IKAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000013810909 556312265 /nfs/dbraw/zinc/31/22/65/556312265.db2.gz FBVCQFXEPUZUMR-AWEZNQCLSA-N 0 0 429.995 5.334 50 0 IKAARN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000009846162 556313106 /nfs/dbraw/zinc/31/31/06/556313106.db2.gz GJPBAHMDYFKGFO-UHFFFAOYSA-N 0 0 428.532 5.065 50 0 IKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000009846223 556313187 /nfs/dbraw/zinc/31/31/87/556313187.db2.gz DSSCVXDUCKWBMF-UHFFFAOYSA-N 0 0 431.586 6.214 50 0 IKAARN CC1=Nc2ccccc2N=C(NC(=O)Nc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000009846879 556313477 /nfs/dbraw/zinc/31/34/77/556313477.db2.gz AJUOIZZDFVQXBE-NRFANRHFSA-N 0 0 437.330 6.735 50 0 IKAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000009849480 556313601 /nfs/dbraw/zinc/31/36/01/556313601.db2.gz XJSOXHGVJGZKJE-UHFFFAOYSA-N 0 0 429.545 6.263 50 0 IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000013816764 556314520 /nfs/dbraw/zinc/31/45/20/556314520.db2.gz WIJFIPMBUNJSCG-UHFFFAOYSA-N 0 0 427.913 5.331 50 0 IKAARN CC(=O)Nc1ccc(OC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000032747484 556315960 /nfs/dbraw/zinc/31/59/60/556315960.db2.gz FFUVETGRCOLSJX-VWLOTQADSA-N 0 0 430.529 5.361 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1CCCCOc1ccccc1)C1CCCCC1 ZINC000013828280 556316244 /nfs/dbraw/zinc/31/62/44/556316244.db2.gz HPNBZKNHMPIWMQ-UHFFFAOYSA-N 0 0 433.596 5.525 50 0 IKAARN COc1ccc(OCc2nnc(SCc3csc(-c4cccc(C)c4)n3)n2C)cc1 ZINC000013845109 556318751 /nfs/dbraw/zinc/31/87/51/556318751.db2.gz YFLFDMPWWQRVBR-UHFFFAOYSA-N 0 0 438.578 5.127 50 0 IKAARN CCOC(=O)c1c2cccc(CC(=O)c3ccccc3)c2sc1NC(=O)c1ccccc1 ZINC000009943275 556318930 /nfs/dbraw/zinc/31/89/30/556318930.db2.gz PLZHMORQZILUEJ-UHFFFAOYSA-N 0 0 443.524 5.756 50 0 IKAARN CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000009971526 556319514 /nfs/dbraw/zinc/31/95/14/556319514.db2.gz STZWNGZSELBJIV-UHFFFAOYSA-N 0 0 431.355 5.772 50 0 IKAARN COC(=O)CCCCCNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000032759912 556320103 /nfs/dbraw/zinc/32/01/03/556320103.db2.gz TWOJTCDGNXYRLV-UHFFFAOYSA-N 0 0 429.513 5.083 50 0 IKAARN Cc1ccc(-n2ncc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c2C(F)(F)F)cc1 ZINC000032753447 556322487 /nfs/dbraw/zinc/32/24/87/556322487.db2.gz USBBUMIHEZVQIL-UHFFFAOYSA-N 0 0 436.437 6.195 50 0 IKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)c4cc5ccccc5o4)cc3)o2)c1 ZINC000032753972 556323178 /nfs/dbraw/zinc/32/31/78/556323178.db2.gz GTSATMOZQKIYIY-GOSISDBHSA-N 0 0 437.499 6.291 50 0 IKAARN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc2c(c1)OCO2 ZINC000010040755 556323327 /nfs/dbraw/zinc/32/33/27/556323327.db2.gz PUEOVOPWFPKVSW-UHFFFAOYSA-N 0 0 427.243 5.783 50 0 IKAARN CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)cnc21 ZINC000032754580 556323727 /nfs/dbraw/zinc/32/37/27/556323727.db2.gz XPWKKCBKLLDOOF-UHFFFAOYSA-N 0 0 441.466 5.726 50 0 IKAARN c1csc(CCn2cnnc2SCc2nc3ccccc3c(-c3ccccc3)n2)c1 ZINC000032754574 556323816 /nfs/dbraw/zinc/32/38/16/556323816.db2.gz ROQNBUOHZDPKLE-UHFFFAOYSA-N 0 0 429.574 5.485 50 0 IKAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000010060189 556324318 /nfs/dbraw/zinc/32/43/18/556324318.db2.gz SHPJQBCCFWJVJY-DEOSSOPVSA-N 0 0 425.488 5.077 50 0 IKAARN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 ZINC000010060181 556324341 /nfs/dbraw/zinc/32/43/41/556324341.db2.gz HUKQQKNFGQFDTI-RUZDIDTESA-N 0 0 438.531 5.671 50 0 IKAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000010059724 556324418 /nfs/dbraw/zinc/32/44/18/556324418.db2.gz CEKWBDCGTWBQJT-UHFFFAOYSA-N 0 0 443.572 6.653 50 0 IKAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000010060180 556324493 /nfs/dbraw/zinc/32/44/93/556324493.db2.gz QPBADGMFHNMSAE-HSZRJFAPSA-N 0 0 428.467 5.112 50 0 IKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1 ZINC000010077545 556324981 /nfs/dbraw/zinc/32/49/81/556324981.db2.gz WPANTGKWFLWZQS-UHFFFAOYSA-N 0 0 447.516 5.600 50 0 IKAARN Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000013880441 556325618 /nfs/dbraw/zinc/32/56/18/556325618.db2.gz XFQABZFFVGPTQF-GJZGRUSLSA-N 0 0 439.144 5.076 50 0 IKAARN O=C(COCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000013880344 556325690 /nfs/dbraw/zinc/32/56/90/556325690.db2.gz NBQIANUIWMODLM-UHFFFAOYSA-N 0 0 445.302 5.380 50 0 IKAARN CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(SC)c1 ZINC000013880421 556325739 /nfs/dbraw/zinc/32/57/39/556325739.db2.gz WEIBUHLYIRJZHO-UHFFFAOYSA-N 0 0 444.651 5.184 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013881554 556326308 /nfs/dbraw/zinc/32/63/08/556326308.db2.gz FUFWWSJQAQRWPF-UHFFFAOYSA-N 0 0 435.361 5.724 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1F)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000013882184 556326638 /nfs/dbraw/zinc/32/66/38/556326638.db2.gz SLSAISYRPRDYQV-ORMMXULVSA-N 0 0 442.844 5.024 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)CCc3c(C)nc4c5ccccc5nn4c3C)cc2)co1 ZINC000032776593 556326809 /nfs/dbraw/zinc/32/68/09/556326809.db2.gz YQTTVGJWQVEPSR-UHFFFAOYSA-N 0 0 425.492 5.034 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc2ccccc2o1 ZINC000010174768 556327504 /nfs/dbraw/zinc/32/75/04/556327504.db2.gz JPIJGDLFWAAWQZ-UHFFFAOYSA-N 0 0 446.454 5.420 50 0 IKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 ZINC000013893409 556327601 /nfs/dbraw/zinc/32/76/01/556327601.db2.gz NTUUEGNLHWOMJX-MUAVYFROSA-N 0 0 432.567 7.001 50 0 IKAARN CSc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000013893741 556327917 /nfs/dbraw/zinc/32/79/17/556327917.db2.gz RGDVAXLIEUCWQH-XMMPIXPASA-N 0 0 434.586 5.435 50 0 IKAARN CCC(=O)Nc1ccc2nc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000013895248 556328664 /nfs/dbraw/zinc/32/86/64/556328664.db2.gz LZIJLAUPWZDQGY-OAHLLOKOSA-N 0 0 427.595 5.689 50 0 IKAARN Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000013895433 556328933 /nfs/dbraw/zinc/32/89/33/556328933.db2.gz ACEXSKXPKNSIGB-RFBIWTDZSA-N 0 0 437.524 6.349 50 0 IKAARN CCCCCc1ccc(-c2nc(-c3ccc(-c4ccc(CCCCC)cn4)cc3)no2)cc1 ZINC000013895613 556328942 /nfs/dbraw/zinc/32/89/42/556328942.db2.gz VENOBYCNCIJQPN-UHFFFAOYSA-N 0 0 439.603 7.931 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013896639 556329574 /nfs/dbraw/zinc/32/95/74/556329574.db2.gz CKEFQARBMOSLDF-UHFFFAOYSA-N 0 0 449.359 5.033 50 0 IKAARN COc1cccc(NC(=O)c2c(-c3ccccc3)csc2NC(=O)Cc2ccccc2)c1 ZINC000013896765 556329768 /nfs/dbraw/zinc/32/97/68/556329768.db2.gz IWRGTEXVNUGBGC-UHFFFAOYSA-N 0 0 442.540 5.857 50 0 IKAARN C[C@H](NC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013896735 556329867 /nfs/dbraw/zinc/32/98/67/556329867.db2.gz DDSHFZIWICAVGS-ZBBKGZSWSA-N 0 0 446.591 5.919 50 0 IKAARN COc1ccccc1NC(=O)c1sc2nc(-c3cccs3)c3c(c2c1N)CCCC3 ZINC000013896835 556329877 /nfs/dbraw/zinc/32/98/77/556329877.db2.gz VOYXRICKKQAERG-UHFFFAOYSA-N 0 0 435.574 5.747 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000013898372 556330459 /nfs/dbraw/zinc/33/04/59/556330459.db2.gz XVOXCEOEZYHERV-UHFFFAOYSA-N 0 0 428.822 5.752 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013898779 556330513 /nfs/dbraw/zinc/33/05/13/556330513.db2.gz KAZCZINTYFPOIZ-NRFANRHFSA-N 0 0 430.548 5.122 50 0 IKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013899277 556330822 /nfs/dbraw/zinc/33/08/22/556330822.db2.gz XNFRWRXQCCHLLO-GFCCVEGCSA-N 0 0 434.841 6.177 50 0 IKAARN COc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCc1ccccc1 ZINC000013914643 556332133 /nfs/dbraw/zinc/33/21/33/556332133.db2.gz SSNBHTAVPVALRY-WQRHYEAKSA-N 0 0 436.305 5.529 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1nnn(CCC)n1)c1ccc(F)cc1 ZINC000004481559 556333766 /nfs/dbraw/zinc/33/37/66/556333766.db2.gz KXKCWHKYWCDTKM-GOSISDBHSA-N 0 0 427.461 5.159 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000013936082 556335962 /nfs/dbraw/zinc/33/59/62/556335962.db2.gz JPHGCVUSEFWXLW-UHFFFAOYSA-N 0 0 435.933 5.089 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C ZINC000013936103 556336010 /nfs/dbraw/zinc/33/60/10/556336010.db2.gz ITMMOKRZYZZEHV-UHFFFAOYSA-N 0 0 445.997 5.567 50 0 IKAARN CCn1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c2ccccc21 ZINC000010559171 556336921 /nfs/dbraw/zinc/33/69/21/556336921.db2.gz CHPPRBPYRGQUDY-UHFFFAOYSA-N 0 0 439.544 5.279 50 0 IKAARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013940686 556338009 /nfs/dbraw/zinc/33/80/09/556338009.db2.gz GUZWAHZBWOFWDJ-UHFFFAOYSA-N 0 0 438.449 6.255 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013940313 556338020 /nfs/dbraw/zinc/33/80/20/556338020.db2.gz QGVGEICAYZRPHT-RGVLZGJSSA-N 0 0 437.854 5.411 50 0 IKAARN COc1cc(C)ccc1OCCOc1ccc(C)cc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000013940784 556338188 /nfs/dbraw/zinc/33/81/88/556338188.db2.gz DCTCAXHMBSIWEU-OQKWZONESA-N 0 0 443.499 5.114 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)sc2c1 ZINC000013940838 556338235 /nfs/dbraw/zinc/33/82/35/556338235.db2.gz HQMVBYMWOOVPBH-UHFFFAOYSA-N 0 0 436.964 6.721 50 0 IKAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000013941645 556338568 /nfs/dbraw/zinc/33/85/68/556338568.db2.gz VNACNWAYTIPJOM-UHFFFAOYSA-N 0 0 434.293 5.347 50 0 IKAARN CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013942367 556339252 /nfs/dbraw/zinc/33/92/52/556339252.db2.gz SVAMKUOSTACNRR-SANMLTNESA-N 0 0 428.963 7.080 50 0 IKAARN CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013942365 556339311 /nfs/dbraw/zinc/33/93/11/556339311.db2.gz SVAMKUOSTACNRR-AREMUKBSSA-N 0 0 428.963 7.080 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000013942370 556339350 /nfs/dbraw/zinc/33/93/50/556339350.db2.gz KNGIVVRBPBEWJW-MHZLTWQESA-N 0 0 440.974 7.366 50 0 IKAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)c3ccccc3n2C)cc1 ZINC000013942424 556339679 /nfs/dbraw/zinc/33/96/79/556339679.db2.gz CXFNAUQDRCHVEY-PIKZIKFNSA-N 0 0 436.555 5.878 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000011210345 556339754 /nfs/dbraw/zinc/33/97/54/556339754.db2.gz HKNZWPOKPJTVFS-UHFFFAOYSA-N 0 0 436.562 5.125 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013942470 556339806 /nfs/dbraw/zinc/33/98/06/556339806.db2.gz FTZOGZJJGWTBKE-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCN1CCN([C@@H](c2sccc2C)c2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000022920970 556340283 /nfs/dbraw/zinc/34/02/83/556340283.db2.gz CREQXPHUTWNMTI-HXUWFJFHSA-N 0 0 443.638 5.307 50 0 IKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000013942740 556340369 /nfs/dbraw/zinc/34/03/69/556340369.db2.gz FFAPZPDSURTCFJ-LBPRGKRZSA-N 0 0 434.841 6.177 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 ZINC000013942732 556340375 /nfs/dbraw/zinc/34/03/75/556340375.db2.gz PVGNHLSZDKOIGN-SIBVEZHUSA-N 0 0 442.946 6.213 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2C2CCCCC2)c1-c1ccc(F)cc1 ZINC000013943852 556340957 /nfs/dbraw/zinc/34/09/57/556340957.db2.gz OMYCCTHZXBEORX-NDEPHWFRSA-N 0 0 438.546 6.862 50 0 IKAARN CCn1cc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2CC)c2ccccc21 ZINC000011410910 556341036 /nfs/dbraw/zinc/34/10/36/556341036.db2.gz PAOSHMBOFSRNSW-UHFFFAOYSA-N 0 0 430.533 5.661 50 0 IKAARN COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@H]2c2c(C)n(C)c3ccccc32)cc1OC ZINC000013945663 556342669 /nfs/dbraw/zinc/34/26/69/556342669.db2.gz XGDXSKOQQJAEBZ-MHZLTWQESA-N 0 0 444.575 5.501 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000013945762 556342747 /nfs/dbraw/zinc/34/27/47/556342747.db2.gz JQBGBJTVBVIAKU-NIYFSFCBSA-N 0 0 431.580 5.436 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013946067 556343372 /nfs/dbraw/zinc/34/33/72/556343372.db2.gz MVQCQKUBGSVKCU-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000013946103 556343381 /nfs/dbraw/zinc/34/33/81/556343381.db2.gz YKBOJSCDGHGNIM-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)nc2c1 ZINC000013946102 556343385 /nfs/dbraw/zinc/34/33/85/556343385.db2.gz MFAKRCPRSZNYGH-KRWDZBQOSA-N 0 0 428.532 6.643 50 0 IKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000013946070 556343412 /nfs/dbraw/zinc/34/34/12/556343412.db2.gz RZFBEDAXWJNGJK-UHFFFAOYSA-N 0 0 427.891 6.704 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000013946121 556343427 /nfs/dbraw/zinc/34/34/27/556343427.db2.gz YEQQVGXSBNDXIG-UHFFFAOYSA-N 0 0 425.319 5.850 50 0 IKAARN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000013946156 556343702 /nfs/dbraw/zinc/34/37/02/556343702.db2.gz LMNZQDRKIPWUMX-JLHYYAGUSA-N 0 0 426.438 6.218 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4OC)cc3)nc2c1 ZINC000013946363 556343721 /nfs/dbraw/zinc/34/37/21/556343721.db2.gz IVZUDEAMEHJQEZ-UHFFFAOYSA-N 0 0 445.544 5.501 50 0 IKAARN O=C(c1ccccc1OC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000011662542 556343919 /nfs/dbraw/zinc/34/39/19/556343919.db2.gz WVKBNOHXTQRPHK-UHFFFAOYSA-N 0 0 446.513 5.375 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 ZINC000013954890 556344477 /nfs/dbraw/zinc/34/44/77/556344477.db2.gz AQUWUEBRRFIJSY-LJQANCHMSA-N 0 0 428.532 6.643 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000013954957 556344540 /nfs/dbraw/zinc/34/45/40/556344540.db2.gz RECFCXVQHXCYJP-UHFFFAOYSA-N 0 0 439.323 7.269 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000013955579 556344819 /nfs/dbraw/zinc/34/48/19/556344819.db2.gz VFRCBCKRGZLQNR-XRHLQHRESA-N 0 0 437.543 5.289 50 0 IKAARN CCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000013955536 556344890 /nfs/dbraw/zinc/34/48/90/556344890.db2.gz LJBYWYWIOGJJHK-WXTAPIANSA-N 0 0 431.580 5.497 50 0 IKAARN CC(=O)Nc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000013957491 556345223 /nfs/dbraw/zinc/34/52/23/556345223.db2.gz SGEVVGPESHALTI-UHFFFAOYSA-N 0 0 440.135 5.039 50 0 IKAARN Cc1cc(C(F)(F)F)nc2sc3c(c21)N[C@@H](c1ccccc1OC(F)F)NC3=O ZINC000013959008 556346396 /nfs/dbraw/zinc/34/63/96/556346396.db2.gz XRJLLRDIXFCHGC-CQSZACIVSA-N 0 0 429.370 5.079 50 0 IKAARN CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013959917 556346673 /nfs/dbraw/zinc/34/66/73/556346673.db2.gz DFWQLLNQIPPBGA-UHFFFAOYSA-N 0 0 441.575 5.991 50 0 IKAARN CC[C@@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C)C12CC3CC(CC(C3)C1)C2 ZINC000013959876 556346709 /nfs/dbraw/zinc/34/67/09/556346709.db2.gz KSTOIKQPUQJEIZ-FYMRZPMTSA-N 0 0 431.930 5.365 50 0 IKAARN Cc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c(C)c1 ZINC000011692532 556346862 /nfs/dbraw/zinc/34/68/62/556346862.db2.gz OVEVXSQBDBPYES-UHFFFAOYSA-N 0 0 431.536 5.378 50 0 IKAARN O=C(c1ccccc1)[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000011692360 556346875 /nfs/dbraw/zinc/34/68/75/556346875.db2.gz HYHLFHFPRMJRCH-LJAQVGFWSA-N 0 0 432.475 6.463 50 0 IKAARN Cc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960458 556347555 /nfs/dbraw/zinc/34/75/55/556347555.db2.gz HMVRGMNCAGDMDE-UHFFFAOYSA-N 0 0 440.896 7.554 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000013960478 556347623 /nfs/dbraw/zinc/34/76/23/556347623.db2.gz QMZCKCWUDLOIDT-UHFFFAOYSA-N 0 0 439.342 6.589 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000013960480 556347928 /nfs/dbraw/zinc/34/79/28/556347928.db2.gz NOFUZRSIWQTZTN-UHFFFAOYSA-N 0 0 438.449 6.301 50 0 IKAARN Clc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)n(-c3ccccc3)n2)cc1Cl ZINC000013960711 556347936 /nfs/dbraw/zinc/34/79/36/556347936.db2.gz SRGLJUBGNTXAQH-UHFFFAOYSA-N 0 0 434.153 7.820 50 0 IKAARN Fc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(F)cc3)c2Br)cc1 ZINC000013960698 556347949 /nfs/dbraw/zinc/34/79/49/556347949.db2.gz FGYDVNMIPKPKQQ-UHFFFAOYSA-N 0 0 449.686 5.614 50 0 IKAARN Cc1ccc(-c2nn(Cc3cccc(C)c3)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000013960569 556347952 /nfs/dbraw/zinc/34/79/52/556347952.db2.gz IIPNSNBIUSHLOS-UHFFFAOYSA-N 0 0 431.377 6.953 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccccc3)n2)cc1OC ZINC000013960510 556347961 /nfs/dbraw/zinc/34/79/61/556347961.db2.gz VEDYWRBJXZIACI-UHFFFAOYSA-N 0 0 430.504 5.300 50 0 IKAARN Cc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960519 556347973 /nfs/dbraw/zinc/34/79/73/556347973.db2.gz CPBZINDQFFGZIO-UHFFFAOYSA-N 0 0 425.334 7.328 50 0 IKAARN Cc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000013960623 556347975 /nfs/dbraw/zinc/34/79/75/556347975.db2.gz HVOWPBCPNWTFQM-UHFFFAOYSA-N 0 0 445.404 7.262 50 0 IKAARN Cc1cccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)c1 ZINC000013960724 556347979 /nfs/dbraw/zinc/34/79/79/556347979.db2.gz HFAKEIQVSUIBIS-UHFFFAOYSA-N 0 0 439.303 6.615 50 0 IKAARN COc1cccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3cccc(OC)c3)c2C)c1 ZINC000013960650 556347991 /nfs/dbraw/zinc/34/79/91/556347991.db2.gz OFZGOZAMBJFMNH-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN COc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC ZINC000013960639 556348010 /nfs/dbraw/zinc/34/80/10/556348010.db2.gz OMNKNUDNZHSPOA-UHFFFAOYSA-N 0 0 444.531 5.608 50 0 IKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(C(=O)OC)o2)c1-c1ccc(OC)cc1 ZINC000013960613 556348018 /nfs/dbraw/zinc/34/80/18/556348018.db2.gz JCLXTRZSYOHYRC-UHFFFAOYSA-N 0 0 446.503 5.225 50 0 IKAARN Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)cc1 ZINC000013960579 556348042 /nfs/dbraw/zinc/34/80/42/556348042.db2.gz KNYNFOZMCZTEAB-UHFFFAOYSA-N 0 0 431.377 6.953 50 0 IKAARN Cc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000013960782 556348339 /nfs/dbraw/zinc/34/83/39/556348339.db2.gz BULOUYRYNQEGQG-UHFFFAOYSA-N 0 0 441.760 5.952 50 0 IKAARN Cc1ccccc1Cn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccc(F)cc1 ZINC000013960740 556348365 /nfs/dbraw/zinc/34/83/65/556348365.db2.gz NPSPOLQJMYGBSW-UHFFFAOYSA-N 0 0 439.303 6.615 50 0 IKAARN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000013960827 556348372 /nfs/dbraw/zinc/34/83/72/556348372.db2.gz ZPSAISUFUMFXLE-UHFFFAOYSA-N 0 0 434.153 7.820 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1Cl ZINC000011753850 556348874 /nfs/dbraw/zinc/34/88/74/556348874.db2.gz HEEHSYGBBMQSBC-INIZCTEOSA-N 0 0 436.021 5.559 50 0 IKAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c12 ZINC000013961355 556348976 /nfs/dbraw/zinc/34/89/76/556348976.db2.gz ZBWIOBCLSLRADG-UHFFFAOYSA-N 0 0 438.575 6.041 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3Cl)c12 ZINC000013961321 556348981 /nfs/dbraw/zinc/34/89/81/556348981.db2.gz WGHCCRMCACSKML-UHFFFAOYSA-N 0 0 437.330 6.165 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCCC1)[C@@H]3c1cccc(OC)c1 ZINC000013961568 556349179 /nfs/dbraw/zinc/34/91/79/556349179.db2.gz NSRONLQZIPRUBN-RUZDIDTESA-N 0 0 433.552 5.175 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)ccc1OC)[C@@H]3c1ccccc1 ZINC000013961581 556349349 /nfs/dbraw/zinc/34/93/49/556349349.db2.gz LPVUUIGFGYKBCW-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000032787241 556350038 /nfs/dbraw/zinc/35/00/38/556350038.db2.gz FFRTYZJFWQLZHB-UHFFFAOYSA-N 0 0 434.561 5.116 50 0 IKAARN CC1(C)C[C@H](NC(=O)c2cccc(Cl)c2)C[C@@](C)(CNC(=O)c2cccc(Cl)c2)C1 ZINC000013969891 556350638 /nfs/dbraw/zinc/35/06/38/556350638.db2.gz NZKUSTGCPFZVKU-GBXCKJPGSA-N 0 0 447.406 5.738 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc3ccccc3c2)NC(=O)N1 ZINC000032778212 556350996 /nfs/dbraw/zinc/35/09/96/556350996.db2.gz YGEVUUZAOZODLV-HXUWFJFHSA-N 0 0 425.410 5.125 50 0 IKAARN O=C(/C=C/c1cccs1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 ZINC000011784374 556352483 /nfs/dbraw/zinc/35/24/83/556352483.db2.gz RAZJUXMDYSSDKA-ACCUITESSA-N 0 0 442.588 5.155 50 0 IKAARN Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 ZINC000011791029 556356031 /nfs/dbraw/zinc/35/60/31/556356031.db2.gz KKHALJAROCRSKG-JTPHSUOKSA-N 0 0 448.567 5.031 50 0 IKAARN Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 ZINC000011791028 556356101 /nfs/dbraw/zinc/35/61/01/556356101.db2.gz KKHALJAROCRSKG-RGFVMQALSA-N 0 0 448.567 5.031 50 0 IKAARN COc1cc(CC(=O)Nc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cs2)ccc1C ZINC000014020020 556356258 /nfs/dbraw/zinc/35/62/58/556356258.db2.gz WYZBHYVDAIIFGT-UHFFFAOYSA-N 0 0 447.516 5.154 50 0 IKAARN Cc1cccc2nc(C(=O)N3CCC[C@@H](C(=O)c4ccc(Oc5ccccc5)cc4)C3)cn21 ZINC000011816543 556359117 /nfs/dbraw/zinc/35/91/17/556359117.db2.gz UQLSSGDFDAGRHS-OAQYLSRUSA-N 0 0 439.515 5.170 50 0 IKAARN Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000014067053 556359628 /nfs/dbraw/zinc/35/96/28/556359628.db2.gz QRAJYLQWVKEGTA-UHFFFAOYSA-N 0 0 445.588 5.613 50 0 IKAARN Cc1csc(N(C(=O)COc2ccc(OCc3ccccc3)cc2)c2ccccc2)n1 ZINC000014067082 556359717 /nfs/dbraw/zinc/35/97/17/556359717.db2.gz KEWJNPJPGQLFCS-UHFFFAOYSA-N 0 0 430.529 5.774 50 0 IKAARN Cc1ccccc1OCc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n[nH]1 ZINC000014070366 556360760 /nfs/dbraw/zinc/36/07/60/556360760.db2.gz ZCHXVXUHTBJUET-GOSISDBHSA-N 0 0 444.560 5.478 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014070129 556360788 /nfs/dbraw/zinc/36/07/88/556360788.db2.gz UHVYZNOUIHPCHJ-QFIPXVFZSA-N 0 0 434.471 5.061 50 0 IKAARN CC[C@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)c1ccncc1 ZINC000011818907 556360942 /nfs/dbraw/zinc/36/09/42/556360942.db2.gz IROFBZQZUGRZOA-INIZCTEOSA-N 0 0 430.455 5.358 50 0 IKAARN O=C(CCc1nc2ccccc2[nH]1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000011819032 556361076 /nfs/dbraw/zinc/36/10/76/556361076.db2.gz IZKQYPYBUALIAP-HHHXNRCGSA-N 0 0 438.506 5.290 50 0 IKAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000014071068 556361060 /nfs/dbraw/zinc/36/10/60/556361060.db2.gz WBSFZQZSBMCBBX-LJQANCHMSA-N 0 0 434.609 5.105 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 ZINC000014074828 556361439 /nfs/dbraw/zinc/36/14/39/556361439.db2.gz HCLLFNBDDCLDAP-UHFFFAOYSA-N 0 0 426.632 6.494 50 0 IKAARN CCn1ccnc1CN(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011819299 556361602 /nfs/dbraw/zinc/36/16/02/556361602.db2.gz XNIQDSYTLKCDQN-UHFFFAOYSA-N 0 0 425.536 5.193 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000011839076 556363871 /nfs/dbraw/zinc/36/38/71/556363871.db2.gz IIFAFEYMGAGECG-GOSISDBHSA-N 0 0 430.552 5.418 50 0 IKAARN Cn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccccc1F ZINC000014093075 556365643 /nfs/dbraw/zinc/36/56/43/556365643.db2.gz GZOAGNIZXWDUSD-QHCPKHFHSA-N 0 0 442.519 5.819 50 0 IKAARN CC(=O)N(c1nc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cs1)c1ccccc1 ZINC000014094923 556366896 /nfs/dbraw/zinc/36/68/96/556366896.db2.gz GRMMDWILOIKYQZ-SFHVURJKSA-N 0 0 448.617 5.817 50 0 IKAARN O=C(CCSc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000014108360 556368823 /nfs/dbraw/zinc/36/88/23/556368823.db2.gz BCPPPQZKUJMDLN-INIZCTEOSA-N 0 0 425.604 5.752 50 0 IKAARN O=C(CCSc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014108356 556368834 /nfs/dbraw/zinc/36/88/34/556368834.db2.gz BCPPPQZKUJMDLN-MRXNPFEDSA-N 0 0 425.604 5.752 50 0 IKAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N(Cc1ccco1)C1=CCCCC1 ZINC000014110605 556369517 /nfs/dbraw/zinc/36/95/17/556369517.db2.gz HZMMYMGCKLLIJY-UHFFFAOYSA-N 0 0 447.482 5.820 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SCc1ccsc1 ZINC000014118121 556371255 /nfs/dbraw/zinc/37/12/55/556371255.db2.gz YBXNHXBWERMTKD-UHFFFAOYSA-N 0 0 433.602 5.773 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000014122858 556372481 /nfs/dbraw/zinc/37/24/81/556372481.db2.gz CHCNTYHAWBYJRR-IBGZPJMESA-N 0 0 439.899 6.001 50 0 IKAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000014129739 556374819 /nfs/dbraw/zinc/37/48/19/556374819.db2.gz URQOEZYEEZZENP-UHFFFAOYSA-N 0 0 436.515 5.227 50 0 IKAARN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000014138995 556376234 /nfs/dbraw/zinc/37/62/34/556376234.db2.gz NITAEBCLQDBADI-UHFFFAOYSA-N 0 0 432.545 5.031 50 0 IKAARN CC1(C)CC2(CCCCC2)N2C(=O)[C@@]3(NCCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162411 556378711 /nfs/dbraw/zinc/37/87/11/556378711.db2.gz JFCNLEUEUKFFGN-MUUNZHRXSA-N 0 0 425.576 5.288 50 0 IKAARN COC(=O)c1ccc(-c2nc(CN3CCCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000011936343 556378806 /nfs/dbraw/zinc/37/88/06/556378806.db2.gz UFNIMQGMHSYVGM-QFIPXVFZSA-N 0 0 448.498 5.179 50 0 IKAARN CCOc1ccc(Oc2ccccc2NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000014166895 556379798 /nfs/dbraw/zinc/37/97/98/556379798.db2.gz IDYBJHCBNWNBJT-UHFFFAOYSA-N 0 0 428.488 6.022 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000011957858 556381115 /nfs/dbraw/zinc/38/11/15/556381115.db2.gz MPQVXGRTOIOKNG-INIZCTEOSA-N 0 0 439.943 5.101 50 0 IKAARN CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 ZINC000014182513 556382890 /nfs/dbraw/zinc/38/28/90/556382890.db2.gz HEPNUAPWNBIBIH-UHFFFAOYSA-N 0 0 447.482 5.102 50 0 IKAARN CCc1ccc2c(c1)[C@]1(Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000011990391 556383931 /nfs/dbraw/zinc/38/39/31/556383931.db2.gz CYJJHXZMCITFHC-RDGATRHJSA-N 0 0 429.907 5.251 50 0 IKAARN O=C(Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1)c1ccccc1 ZINC000011990362 556383935 /nfs/dbraw/zinc/38/39/35/556383935.db2.gz QSLDPHPBAYCTKB-ZEQKJWHPSA-N 0 0 436.467 5.741 50 0 IKAARN COCCN(Cc1cc2ccc(OC)cc2nc1-c1cccc(C)c1)C(=O)C1CCCCC1 ZINC000011998080 556384817 /nfs/dbraw/zinc/38/48/17/556384817.db2.gz WLZFFCSFQIOPLS-UHFFFAOYSA-N 0 0 446.591 5.774 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2nc(C(C)C)cs2)C1 ZINC000012003491 556386276 /nfs/dbraw/zinc/38/62/76/556386276.db2.gz JMPMZMWBUVDQSN-MRXNPFEDSA-N 0 0 436.021 5.559 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2nc(C(C)C)cs2)C1 ZINC000012003485 556386404 /nfs/dbraw/zinc/38/64/04/556386404.db2.gz JMPMZMWBUVDQSN-INIZCTEOSA-N 0 0 436.021 5.559 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1nc(SC)sc1=S)CC2 ZINC000014187266 556386567 /nfs/dbraw/zinc/38/65/67/556386567.db2.gz ZIGPDMKFDBCCCI-LJQANCHMSA-N 0 0 445.635 5.018 50 0 IKAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)Nc4c(C)cccc4Cl)C3)ccc2c1 ZINC000012030912 556388804 /nfs/dbraw/zinc/38/88/04/556388804.db2.gz DTLPMIYMKZEHMW-FQEVSTJZSA-N 0 0 436.939 5.937 50 0 IKAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3C3CCCCC3)n2)cc1F ZINC000014199615 556390345 /nfs/dbraw/zinc/39/03/45/556390345.db2.gz LFLNAUTVQRSPKC-UHFFFAOYSA-N 0 0 439.516 5.833 50 0 IKAARN Cc1cccc([C@H]2CCCN(C(=O)CC[C@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)C2)c1 ZINC000012040739 556390787 /nfs/dbraw/zinc/39/07/87/556390787.db2.gz YGTNNDKUERAMFF-NVQXNPDNSA-N 0 0 438.999 5.026 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014200533 556391173 /nfs/dbraw/zinc/39/11/73/556391173.db2.gz VHPFYXIHMSLYJO-UHFFFAOYSA-N 0 0 431.542 5.650 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1nc(-c2ccco2)no1 ZINC000032809263 556393855 /nfs/dbraw/zinc/39/38/55/556393855.db2.gz FLAKQSANEWGMGN-OAHLLOKOSA-N 0 0 427.489 5.702 50 0 IKAARN CN(C[C@H](O)c1ccccc1)C(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000012058275 556394983 /nfs/dbraw/zinc/39/49/83/556394983.db2.gz XDQBYEPOWRWBQB-FQEVSTJZSA-N 0 0 440.421 5.319 50 0 IKAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2 ZINC000014227739 556395520 /nfs/dbraw/zinc/39/55/20/556395520.db2.gz VDTJEQYXMAMAEU-UHFFFAOYSA-N 0 0 431.410 5.181 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3oc4ccccc4c3CSC)cc2)cc1 ZINC000014228078 556395812 /nfs/dbraw/zinc/39/58/12/556395812.db2.gz QYQMBWDTUXJRDH-UHFFFAOYSA-N 0 0 446.528 5.809 50 0 IKAARN O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1cc2c(cc1Cl)OCO2 ZINC000032810200 556396024 /nfs/dbraw/zinc/39/60/24/556396024.db2.gz CSQWJKWSDAAJDX-UHFFFAOYSA-N 0 0 438.892 5.363 50 0 IKAARN O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1ccccc1N1CCCC1=O ZINC000032810202 556396365 /nfs/dbraw/zinc/39/63/65/556396365.db2.gz QLHKIRDQVLRFLT-UHFFFAOYSA-N 0 0 443.528 5.108 50 0 IKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014241968 556402354 /nfs/dbraw/zinc/40/23/54/556402354.db2.gz PLZOSJPAIBBIIU-KRWDZBQOSA-N 0 0 446.576 5.180 50 0 IKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nnc(-c2ccc(F)cc2)o1 ZINC000014242955 556403755 /nfs/dbraw/zinc/40/37/55/556403755.db2.gz NUKKJHUCHWTQST-RYUDHWBXSA-N 0 0 442.541 5.965 50 0 IKAARN COc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4C)=NN3C(=O)c3ccco3)cc2c1 ZINC000071924251 556404323 /nfs/dbraw/zinc/40/43/23/556404323.db2.gz RRJBDLMOSWTMKA-JOCHJYFZSA-N 0 0 445.906 5.790 50 0 IKAARN C[C@@H](Sc1ccc2c(c1)OCCCO2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014244612 556404515 /nfs/dbraw/zinc/40/45/15/556404515.db2.gz XEPXOGVBTXDYQD-GFCCVEGCSA-N 0 0 442.587 5.728 50 0 IKAARN CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1C1CC1 ZINC000014245137 556405062 /nfs/dbraw/zinc/40/50/62/556405062.db2.gz RWKKHAYKXWLVGC-UHFFFAOYSA-N 0 0 427.599 5.226 50 0 IKAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000032578560 556405222 /nfs/dbraw/zinc/40/52/22/556405222.db2.gz UILVADMHYFKOGB-UHFFFAOYSA-N 0 0 439.393 5.440 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)n2)cc1 ZINC000032578633 556405250 /nfs/dbraw/zinc/40/52/50/556405250.db2.gz XCBPHUYIIZILMD-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000032578632 556405264 /nfs/dbraw/zinc/40/52/64/556405264.db2.gz GXDHDFQKCHTTKJ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)n2)cc1 ZINC000032578695 556405489 /nfs/dbraw/zinc/40/54/89/556405489.db2.gz RLBOIMINYBQPHB-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000032578643 556405533 /nfs/dbraw/zinc/40/55/33/556405533.db2.gz JCEWFLSWSKUXFB-UHFFFAOYSA-N 0 0 439.393 5.587 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c1 ZINC000032578867 556405706 /nfs/dbraw/zinc/40/57/06/556405706.db2.gz UEHXEQWOBXMUFW-UHFFFAOYSA-N 0 0 427.460 5.079 50 0 IKAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000014246354 556406354 /nfs/dbraw/zinc/40/63/54/556406354.db2.gz GRVNMVMDBBWERF-LJQANCHMSA-N 0 0 426.607 5.046 50 0 IKAARN Cc1cc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)ccc1Cl ZINC000032593568 556407224 /nfs/dbraw/zinc/40/72/24/556407224.db2.gz RRIXPKYLGYNWBV-UHFFFAOYSA-N 0 0 444.763 5.008 50 0 IKAARN CC(C)C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 ZINC000014247916 556407447 /nfs/dbraw/zinc/40/74/47/556407447.db2.gz GPZOUBXOHHNRBL-QFIPXVFZSA-N 0 0 434.609 5.200 50 0 IKAARN CN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1 ZINC000014249278 556408022 /nfs/dbraw/zinc/40/80/22/556408022.db2.gz HRJADSKSNJFBSJ-UHFFFAOYSA-N 0 0 449.963 5.249 50 0 IKAARN O=C(NCc1nnc2ccccn21)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC000014249392 556408322 /nfs/dbraw/zinc/40/83/22/556408322.db2.gz ROXICGBMAPSSRE-UHFFFAOYSA-N 0 0 443.359 5.258 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1Cl ZINC000032609555 556408454 /nfs/dbraw/zinc/40/84/54/556408454.db2.gz GCJMBXYFFPOXDN-OAQYLSRUSA-N 0 0 436.294 5.845 50 0 IKAARN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000032610733 556408510 /nfs/dbraw/zinc/40/85/10/556408510.db2.gz BZKZDFXPIMVTQW-UHFFFAOYSA-N 0 0 439.730 6.141 50 0 IKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cn4ccccc4=O)o3)n2)cc1 ZINC000014250969 556408971 /nfs/dbraw/zinc/40/89/71/556408971.db2.gz KGLWVQCBEOQGTD-INIZCTEOSA-N 0 0 433.533 5.379 50 0 IKAARN CCC[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)C(=O)OCC ZINC000004357301 556409017 /nfs/dbraw/zinc/40/90/17/556409017.db2.gz XYPBQBZSUNKABV-HXUWFJFHSA-N 0 0 425.554 5.075 50 0 IKAARN CCC[C@@H](Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1)C(=O)OCC ZINC000004359090 556409357 /nfs/dbraw/zinc/40/93/57/556409357.db2.gz VPLZMRGJQZSHFP-HXUWFJFHSA-N 0 0 425.554 5.075 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 ZINC000032622881 556410185 /nfs/dbraw/zinc/41/01/85/556410185.db2.gz YRUMECPZHPLKLD-GOSISDBHSA-N 0 0 443.503 5.435 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032623164 556410466 /nfs/dbraw/zinc/41/04/66/556410466.db2.gz IJNHZMHZJPVQGP-KRWDZBQOSA-N 0 0 429.476 5.127 50 0 IKAARN CC(=O)c1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1C ZINC000032623466 556410695 /nfs/dbraw/zinc/41/06/95/556410695.db2.gz XVOBGAGMCOWPJN-UHFFFAOYSA-N 0 0 430.888 5.292 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)n2)cc1 ZINC000032624063 556411164 /nfs/dbraw/zinc/41/11/64/556411164.db2.gz WTDGRJZLYLFCGJ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cnc3sc4c(n3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000014291529 556411633 /nfs/dbraw/zinc/41/16/33/556411633.db2.gz PMYCULZVGGSGAV-QGZVFWFLSA-N 0 0 437.609 5.457 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nnc(-c4ccc(OC)cc4)o3)cs2)cc1 ZINC000032636474 556411795 /nfs/dbraw/zinc/41/17/95/556411795.db2.gz BVQHZKXGGJWOML-UHFFFAOYSA-N 0 0 425.535 5.560 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(NC(C)(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004371543 556412026 /nfs/dbraw/zinc/41/20/26/556412026.db2.gz BMFRSUUPDIARMS-YTAOHXRWSA-N 0 0 429.626 7.437 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000059988144 556412629 /nfs/dbraw/zinc/41/26/29/556412629.db2.gz YPPXPDAREPAYLU-CQSZACIVSA-N 0 0 446.776 5.348 50 0 IKAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014358387 556414153 /nfs/dbraw/zinc/41/41/53/556414153.db2.gz WXJMICZGOAREPL-BAMAOYLXSA-N 0 0 428.926 5.880 50 0 IKAARN CCn1c2ccccc2c(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c1-c1ccccc1 ZINC000014360600 556414439 /nfs/dbraw/zinc/41/44/39/556414439.db2.gz NTXKHASIDPVCCF-JOCHJYFZSA-N 0 0 430.331 5.638 50 0 IKAARN Cc1cc(NC(=O)c2ccc(C)s2)n(-c2nc3ccccc3n2Cc2ccccc2F)n1 ZINC000014360432 556414448 /nfs/dbraw/zinc/41/44/48/556414448.db2.gz OFYQTKHEMWLIMY-UHFFFAOYSA-N 0 0 445.523 5.340 50 0 IKAARN CCN(C(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000014360653 556414456 /nfs/dbraw/zinc/41/44/56/556414456.db2.gz NVNMPZLRWSTXRQ-UHFFFAOYSA-N 0 0 442.437 5.659 50 0 IKAARN Cc1ccnc2c1cccc2N1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000229986665 556416241 /nfs/dbraw/zinc/41/62/41/556416241.db2.gz XRLQGYUSLYWAFI-NLXKVGEISA-N 0 0 444.534 5.786 50 0 IKAARN COc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1OCc1cccnc1 ZINC000032832255 556417377 /nfs/dbraw/zinc/41/73/77/556417377.db2.gz JGNXDNVCZSWZDA-UHFFFAOYSA-N 0 0 447.466 5.035 50 0 IKAARN CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 ZINC000032832417 556417562 /nfs/dbraw/zinc/41/75/62/556417562.db2.gz DAQCGQLSHYLNGR-UHFFFAOYSA-N 0 0 444.535 5.498 50 0 IKAARN COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1cccnc1 ZINC000032833911 556417917 /nfs/dbraw/zinc/41/79/17/556417917.db2.gz YRAWSMZQIJEHFJ-UHFFFAOYSA-N 0 0 427.504 5.282 50 0 IKAARN COc1ccccc1-c1noc(CSc2nc(-c3cccs3)nc3ccccc32)n1 ZINC000032668376 556418121 /nfs/dbraw/zinc/41/81/21/556418121.db2.gz FWKVAGMZZRNQJG-UHFFFAOYSA-N 0 0 432.530 5.709 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3cccs3)o2)cs1)c1cccc(C)c1 ZINC000032667984 556418143 /nfs/dbraw/zinc/41/81/43/556418143.db2.gz XNQQVNRHDKLXPP-UHFFFAOYSA-N 0 0 428.564 5.540 50 0 IKAARN COCCCn1c(=O)c2ccccc2nc1SCc1ncc(-c2cccc(Cl)c2)o1 ZINC000032668415 556418467 /nfs/dbraw/zinc/41/84/67/556418467.db2.gz VEVHMNLKBDXXFX-UHFFFAOYSA-N 0 0 441.940 5.034 50 0 IKAARN O=C(c1ccc(C2SCCS2)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000014498694 556419750 /nfs/dbraw/zinc/41/97/50/556419750.db2.gz CJGZTJFHGXOUBJ-KRWDZBQOSA-N 0 0 442.631 5.601 50 0 IKAARN O=C(c1ccc(C2SCCS2)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000014498706 556419808 /nfs/dbraw/zinc/41/98/08/556419808.db2.gz CJGZTJFHGXOUBJ-QGZVFWFLSA-N 0 0 442.631 5.601 50 0 IKAARN Cc1c2ccccc2sc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000012974957 556420897 /nfs/dbraw/zinc/42/08/97/556420897.db2.gz IXLQEOXWTXCWPS-AWEZNQCLSA-N 0 0 444.482 5.291 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cc(Cl)cc2c1OCOC2 ZINC000012978226 556423147 /nfs/dbraw/zinc/42/31/47/556423147.db2.gz PEMXNMSKJNIYMT-UHFFFAOYSA-N 0 0 434.941 5.271 50 0 IKAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 ZINC000012978597 556423339 /nfs/dbraw/zinc/42/33/39/556423339.db2.gz UNUGVVNCSHEBIV-GOSISDBHSA-N 0 0 448.519 5.136 50 0 IKAARN COc1cc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC ZINC000014576736 556427294 /nfs/dbraw/zinc/42/72/94/556427294.db2.gz PVLXLFDPTDFWLW-UHFFFAOYSA-N 0 0 434.517 5.170 50 0 IKAARN Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)c1 ZINC000032841590 556427331 /nfs/dbraw/zinc/42/73/31/556427331.db2.gz FRAIYMQJRMVNGV-UHFFFAOYSA-N 0 0 437.478 5.241 50 0 IKAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012989070 556428083 /nfs/dbraw/zinc/42/80/83/556428083.db2.gz UBEWULPZXLXIJH-UHFFFAOYSA-N 0 0 432.332 5.496 50 0 IKAARN O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2)N1CCCC1 ZINC000012989244 556428157 /nfs/dbraw/zinc/42/81/57/556428157.db2.gz GJMZTQCISPMPCK-UHFFFAOYSA-N 0 0 428.557 5.225 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(Br)cc3F)c12 ZINC000012993046 556429243 /nfs/dbraw/zinc/42/92/43/556429243.db2.gz MSSNKJQAJYXGOI-UHFFFAOYSA-N 0 0 432.274 5.414 50 0 IKAARN CC(C)n1ncc2cc(NC(=O)c3ccccc3CSc3nc4ccccc4[nH]3)cnc21 ZINC000032845044 556429263 /nfs/dbraw/zinc/42/92/63/556429263.db2.gz MDCYYKADZJZWQR-UHFFFAOYSA-N 0 0 442.548 5.433 50 0 IKAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012993529 556429437 /nfs/dbraw/zinc/42/94/37/556429437.db2.gz VYYUPTMAXPYSNS-UHFFFAOYSA-N 0 0 433.867 5.121 50 0 IKAARN FC(F)(F)c1cc(Cl)c2nnc(SCc3nc(-c4cccc(Cl)c4)no3)n2c1 ZINC000014636761 556430654 /nfs/dbraw/zinc/43/06/54/556430654.db2.gz DXOFPXLEWBDQKG-UHFFFAOYSA-N 0 0 446.241 5.397 50 0 IKAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccsc1 ZINC000012995577 556430757 /nfs/dbraw/zinc/43/07/57/556430757.db2.gz NCRLJTMESGDVFI-UHFFFAOYSA-N 0 0 427.334 5.108 50 0 IKAARN O=c1c2ccc(Cl)cc2nc(SCc2ccc(-n3cccn3)cc2)n1Cc1ccco1 ZINC000014644022 556431182 /nfs/dbraw/zinc/43/11/82/556431182.db2.gz IJJSHWXZEIWFNS-UHFFFAOYSA-N 0 0 448.935 5.169 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3Cl)C2)c2ccccc12 ZINC000012997199 556431623 /nfs/dbraw/zinc/43/16/23/556431623.db2.gz PMOKYLKVUGRNAP-HNNXBMFYSA-N 0 0 440.902 5.132 50 0 IKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012998656 556432400 /nfs/dbraw/zinc/43/24/00/556432400.db2.gz AJDQRNZHYRALGP-UHFFFAOYSA-N 0 0 428.863 5.654 50 0 IKAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](C)c4ccccc4C)c(=O)c23)cc1 ZINC000012999960 556432659 /nfs/dbraw/zinc/43/26/59/556432659.db2.gz YAKBTIQONNCZET-SFHVURJKSA-N 0 0 431.561 5.009 50 0 IKAARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000013001027 556433103 /nfs/dbraw/zinc/43/31/03/556433103.db2.gz WESCGKXDAZVTII-UHFFFAOYSA-N 0 0 447.363 5.359 50 0 IKAARN c1cc(-c2nc3ccccc3c(Sc3nnc(-c4ccncc4)n3C3CC3)n2)cs1 ZINC000032855717 556433212 /nfs/dbraw/zinc/43/32/12/556433212.db2.gz FMPSWUBLAMBWEA-UHFFFAOYSA-N 0 0 428.546 5.498 50 0 IKAARN COc1ccc2cc([C@@H](C)C(=O)NC[C@@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 ZINC000032855859 556433366 /nfs/dbraw/zinc/43/33/66/556433366.db2.gz DDGLOCPYJUALBB-HZPDHXFCSA-N 0 0 437.490 5.617 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1SC(F)F ZINC000013001196 556433387 /nfs/dbraw/zinc/43/33/87/556433387.db2.gz FIBAEBUTBZEBIE-UHFFFAOYSA-N 0 0 427.472 5.315 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000013001709 556433607 /nfs/dbraw/zinc/43/36/07/556433607.db2.gz OJRDRBUKNKJWCR-UHFFFAOYSA-N 0 0 434.348 5.136 50 0 IKAARN COc1ccc(OC)c(C(Cc2ccnc3ccccc23)Cc2ccnc3ccccc23)c1 ZINC000013002291 556433816 /nfs/dbraw/zinc/43/38/16/556433816.db2.gz VWXFLVJKLMLMEG-UHFFFAOYSA-N 0 0 434.539 6.369 50 0 IKAARN O=C(CSc1nc2ccccc2s1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032856373 556433885 /nfs/dbraw/zinc/43/38/85/556433885.db2.gz HIHKRHMASAGZOP-OAHLLOKOSA-N 0 0 425.560 5.421 50 0 IKAARN Cc1ccc(-c2nc(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)co2)c(C)c1 ZINC000013002840 556434126 /nfs/dbraw/zinc/43/41/26/556434126.db2.gz YCFHKXRZRKMOCW-UHFFFAOYSA-N 0 0 431.492 5.584 50 0 IKAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000014704444 556434428 /nfs/dbraw/zinc/43/44/28/556434428.db2.gz GCKVRJBVOSOVEN-QZTJIDSGSA-N 0 0 436.508 6.108 50 0 IKAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000014704445 556434491 /nfs/dbraw/zinc/43/44/91/556434491.db2.gz GCKVRJBVOSOVEN-MSOLQXFVSA-N 0 0 436.508 6.108 50 0 IKAARN CCOCc1c2ccccc2oc1C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000013005746 556434790 /nfs/dbraw/zinc/43/47/90/556434790.db2.gz MWJNTPJSPCYCIY-UHFFFAOYSA-N 0 0 445.515 5.487 50 0 IKAARN Clc1ccccc1-c1ccc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)s1 ZINC000027903687 556434948 /nfs/dbraw/zinc/43/49/48/556434948.db2.gz SAVBYNOXQOORRS-UHFFFAOYSA-N 0 0 440.956 5.029 50 0 IKAARN COCc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)sc2cccc(F)c21 ZINC000013006073 556435144 /nfs/dbraw/zinc/43/51/44/556435144.db2.gz BSTSKOUFWZNGHZ-AWEZNQCLSA-N 0 0 440.565 5.816 50 0 IKAARN CCOc1ccc(-c2nc(CS[C@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000013012569 556436265 /nfs/dbraw/zinc/43/62/65/556436265.db2.gz IINGXNUKQKRJDC-OAHLLOKOSA-N 0 0 430.570 5.286 50 0 IKAARN CCOc1ccc(-c2nc(CS[C@H](C)C(=O)NCCc3ccccc3)cs2)cc1 ZINC000013012688 556436328 /nfs/dbraw/zinc/43/63/28/556436328.db2.gz XIVXACKVTRYOKH-QGZVFWFLSA-N 0 0 426.607 5.189 50 0 IKAARN CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)NCCc3ccccc3)cs2)cc1 ZINC000013012687 556436353 /nfs/dbraw/zinc/43/63/53/556436353.db2.gz XIVXACKVTRYOKH-KRWDZBQOSA-N 0 0 426.607 5.189 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000013014723 556437014 /nfs/dbraw/zinc/43/70/14/556437014.db2.gz VHAFBEJKVUHVSR-ZDUSSCGKSA-N 0 0 431.949 5.211 50 0 IKAARN Cc1ccc2c(COC(=O)C3C[C@H]4CCC[C@@H](C3)C43SCCS3)cc(=O)oc2c1C ZINC000013015576 556437373 /nfs/dbraw/zinc/43/73/73/556437373.db2.gz CJPXFKIUGGFBFE-JLYLLQBASA-N 0 0 444.618 5.456 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1C ZINC000013015813 556437673 /nfs/dbraw/zinc/43/76/73/556437673.db2.gz IXGGLZQVLKWLOE-UHFFFAOYSA-N 0 0 426.472 5.421 50 0 IKAARN C[C@](Cc1nc2ccccc2s1)(C(=O)OCc1c(F)cccc1Cl)c1ccccc1 ZINC000013015818 556437737 /nfs/dbraw/zinc/43/77/37/556437737.db2.gz MQEPOLSBOAORPR-XMMPIXPASA-N 0 0 439.939 6.333 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C(C)C)ccc3C)C2=O)cc1 ZINC000004548449 556437772 /nfs/dbraw/zinc/43/77/72/556437772.db2.gz UBDFUDLLRYTGRC-MUUNZHRXSA-N 0 0 427.544 5.434 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 ZINC000013017027 556438306 /nfs/dbraw/zinc/43/83/06/556438306.db2.gz BSARQOJTVPEVHE-UHFFFAOYSA-N 0 0 427.529 5.552 50 0 IKAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1C ZINC000013017172 556438396 /nfs/dbraw/zinc/43/83/96/556438396.db2.gz ZLVLWXBKLTUPRM-UHFFFAOYSA-N 0 0 433.533 5.009 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1 ZINC000013017779 556438678 /nfs/dbraw/zinc/43/86/78/556438678.db2.gz PFWRVWTWTGVCIK-SFHVURJKSA-N 0 0 431.923 5.289 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3sc4cc(C)ccc4c3Cl)on2)cc1OC ZINC000027985553 556438727 /nfs/dbraw/zinc/43/87/27/556438727.db2.gz UFMURKTZSITSNI-UHFFFAOYSA-N 0 0 428.897 5.788 50 0 IKAARN COc1ccc(NC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)c(OC)c1 ZINC000013018250 556438972 /nfs/dbraw/zinc/43/89/72/556438972.db2.gz UZKWBNORVJOEOJ-UHFFFAOYSA-N 0 0 441.531 5.485 50 0 IKAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1ccc2ccccc2c1 ZINC000013018007 556439017 /nfs/dbraw/zinc/43/90/17/556439017.db2.gz WPWLQWWKEUBCPF-IHWFROFDSA-N 0 0 441.618 5.324 50 0 IKAARN COc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)c2c[nH]c3ccccc32)cc1 ZINC000027989023 556439416 /nfs/dbraw/zinc/43/94/16/556439416.db2.gz NDNRKELFJPAHKD-JOCHJYFZSA-N 0 0 442.490 5.932 50 0 IKAARN O=C(OCc1nnc(-c2cccs2)o1)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000032689206 556439721 /nfs/dbraw/zinc/43/97/21/556439721.db2.gz SONBOSPKDCXJOU-UHFFFAOYSA-N 0 0 448.529 5.324 50 0 IKAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1F ZINC000027989871 556439758 /nfs/dbraw/zinc/43/97/58/556439758.db2.gz BFMLGIGKZHKATK-JOCHJYFZSA-N 0 0 441.934 5.400 50 0 IKAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000027990257 556439790 /nfs/dbraw/zinc/43/97/90/556439790.db2.gz IFIRCZKFROVQEA-KRWDZBQOSA-N 0 0 428.985 5.515 50 0 IKAARN CCN(CC)[P@]1(=Nc2cccc(C)c2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C ZINC000032690961 556439895 /nfs/dbraw/zinc/43/98/95/556439895.db2.gz NQQKOQYSALBODT-ZJXHYCNCSA-N 0 0 449.583 6.878 50 0 IKAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2c(Br)cc(Br)cn21 ZINC000027991641 556439965 /nfs/dbraw/zinc/43/99/65/556439965.db2.gz IROYZILMVQGCAL-UHFFFAOYSA-N 0 0 443.526 5.138 50 0 IKAARN CCc1ccc(OCC(=O)N(CC)[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027991136 556440025 /nfs/dbraw/zinc/44/00/25/556440025.db2.gz JWTQNYBAZTVIBE-MUUNZHRXSA-N 0 0 442.559 5.756 50 0 IKAARN CCc1ccc(OCC(=O)N(CC)[C@@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027991109 556440045 /nfs/dbraw/zinc/44/00/45/556440045.db2.gz BXKSCFPJJDIRBF-MUUNZHRXSA-N 0 0 426.560 6.056 50 0 IKAARN CCN(C(=O)COc1ccc(Cl)c(C)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993075 556440481 /nfs/dbraw/zinc/44/04/81/556440481.db2.gz CRQAQLGSYMEGEO-HHHXNRCGSA-N 0 0 446.978 6.455 50 0 IKAARN CCN(C(=O)COc1cccc(C)c1C)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993290 556440584 /nfs/dbraw/zinc/44/05/84/556440584.db2.gz QUCRXXYLJVRQBW-MUUNZHRXSA-N 0 0 442.559 5.810 50 0 IKAARN CCN(C(=O)COc1ccc(C(C)C)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993170 556440623 /nfs/dbraw/zinc/44/06/23/556440623.db2.gz GUDDZGJONMQALW-GDLZYMKVSA-N 0 0 440.587 6.617 50 0 IKAARN CCN(C(=O)COc1ccc(OC)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993180 556440626 /nfs/dbraw/zinc/44/06/26/556440626.db2.gz QYKCOYAULRCZKI-HHHXNRCGSA-N 0 0 428.532 5.502 50 0 IKAARN CCN(C(=O)COc1ccc(OC)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993175 556440662 /nfs/dbraw/zinc/44/06/62/556440662.db2.gz QYKCOYAULRCZKI-MHZLTWQESA-N 0 0 428.532 5.502 50 0 IKAARN CCN(C(=O)COc1cccc(C)c1C)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993286 556440669 /nfs/dbraw/zinc/44/06/69/556440669.db2.gz QUCRXXYLJVRQBW-NDEPHWFRSA-N 0 0 442.559 5.810 50 0 IKAARN CCN(C(=O)COc1cc(C)cc(C)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993191 556440672 /nfs/dbraw/zinc/44/06/72/556440672.db2.gz TZFONCIGXGUNMW-MUUNZHRXSA-N 0 0 442.559 5.810 50 0 IKAARN COc1ccccc1[C@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000013028727 556441700 /nfs/dbraw/zinc/44/17/00/556441700.db2.gz FXIHKSCSZOZXCN-HNNXBMFYSA-N 0 0 435.574 5.336 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000028018666 556441817 /nfs/dbraw/zinc/44/18/17/556441817.db2.gz GFGJGGCJDWSSGB-UHFFFAOYSA-N 0 0 433.986 5.154 50 0 IKAARN O=C(COc1ccccc1Cc1ccccc1)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000013029681 556441892 /nfs/dbraw/zinc/44/18/92/556441892.db2.gz RWUORQZKVBBFSK-UHFFFAOYSA-N 0 0 438.907 5.214 50 0 IKAARN CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc2ccccc2nc1Cl ZINC000013029076 556441906 /nfs/dbraw/zinc/44/19/06/556441906.db2.gz NWMNJUMUNJOGTE-HNNXBMFYSA-N 0 0 449.904 6.146 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000013030885 556442509 /nfs/dbraw/zinc/44/25/09/556442509.db2.gz DVJAUMKTXLSHNE-HSZRJFAPSA-N 0 0 426.604 7.164 50 0 IKAARN CN(C)[C@@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccccc1Cl ZINC000013031430 556442574 /nfs/dbraw/zinc/44/25/74/556442574.db2.gz LSGUKRXOARVYCQ-IBGZPJMESA-N 0 0 443.403 6.380 50 0 IKAARN COc1ccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC ZINC000013031984 556442865 /nfs/dbraw/zinc/44/28/65/556442865.db2.gz WIESXFQUYYDXDU-QFIPXVFZSA-N 0 0 444.453 5.192 50 0 IKAARN CCN(CC)[P@@]1(=Nc2ccc(C)c(C)c2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C ZINC000032693735 556443213 /nfs/dbraw/zinc/44/32/13/556443213.db2.gz NXIZAKIOXIQVEU-WVQAKYLLSA-N 0 0 449.583 6.878 50 0 IKAARN O=C(CSc1ccc2c(c1)CCC2)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000013037775 556443285 /nfs/dbraw/zinc/44/32/85/556443285.db2.gz BVFFDSIVMGQXEG-UHFFFAOYSA-N 0 0 439.968 5.162 50 0 IKAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1 ZINC000032957695 556444262 /nfs/dbraw/zinc/44/42/62/556444262.db2.gz CZDQTEWGCFEQIZ-JOCHJYFZSA-N 0 0 444.510 5.085 50 0 IKAARN COc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000013038526 556444531 /nfs/dbraw/zinc/44/45/31/556444531.db2.gz MNOIIAHXFHHBCG-XMMPIXPASA-N 0 0 428.532 5.526 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)c1 ZINC000011027608 556445014 /nfs/dbraw/zinc/44/50/14/556445014.db2.gz XGELWLMWFXBUSC-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000013039371 556445099 /nfs/dbraw/zinc/44/50/99/556445099.db2.gz PDDYGHYMLGJIFZ-UHFFFAOYSA-N 0 0 448.519 5.184 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccc(Br)cc2s1 ZINC000014787840 556445449 /nfs/dbraw/zinc/44/54/49/556445449.db2.gz NCQBRBFQGVVNCV-UHFFFAOYSA-N 0 0 446.301 5.424 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000013039884 556445716 /nfs/dbraw/zinc/44/57/16/556445716.db2.gz CBAUNTPWKXQBIU-LBPRGKRZSA-N 0 0 438.424 5.820 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2nc(CN(C)Cc3cccc(Cl)c3Cl)[nH]c(=O)c21 ZINC000013040739 556446492 /nfs/dbraw/zinc/44/64/92/556446492.db2.gz ALZWYAFVTTUBPT-GFCCVEGCSA-N 0 0 438.424 5.820 50 0 IKAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000013040838 556446515 /nfs/dbraw/zinc/44/65/15/556446515.db2.gz BTVPNUWUFHYMOH-UHFFFAOYSA-N 0 0 436.559 5.759 50 0 IKAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CC=C(c4ccccc4)CC3)cc12 ZINC000013040894 556446906 /nfs/dbraw/zinc/44/69/06/556446906.db2.gz QJLLULNYWFYABN-UHFFFAOYSA-N 0 0 431.536 5.523 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000014805378 556447024 /nfs/dbraw/zinc/44/70/24/556447024.db2.gz FSFXZDMRDAMSDB-UHFFFAOYSA-N 0 0 439.943 5.772 50 0 IKAARN Cc1cc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000013041275 556447500 /nfs/dbraw/zinc/44/75/00/556447500.db2.gz CRXBFUTZIRKBIV-SFHVURJKSA-N 0 0 445.972 5.078 50 0 IKAARN Fc1ccc(OCc2nc(CSc3n[nH]c(C=Cc4cccs4)n3)cs2)cc1 ZINC000014809650 556447543 /nfs/dbraw/zinc/44/75/43/556447543.db2.gz PNRVNFWKWMXFCD-BQYQJAHWSA-N 0 0 430.555 5.504 50 0 IKAARN Cc1cc(OCC(=O)N(Cc2ccc(Br)o2)c2ccccn2)ccc1Cl ZINC000028287220 556447942 /nfs/dbraw/zinc/44/79/42/556447942.db2.gz MOZRCGFRXHUCPB-UHFFFAOYSA-N 0 0 435.705 5.011 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000028288501 556448162 /nfs/dbraw/zinc/44/81/62/556448162.db2.gz PLEMHEILNWOQQR-QGZVFWFLSA-N 0 0 438.593 5.242 50 0 IKAARN Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028288313 556448236 /nfs/dbraw/zinc/44/82/36/556448236.db2.gz BVYCBHTZTUDDOH-NRFANRHFSA-N 0 0 438.955 5.020 50 0 IKAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028288541 556448266 /nfs/dbraw/zinc/44/82/66/556448266.db2.gz KEZCPEZDTCRKSY-KRWDZBQOSA-N 0 0 443.012 6.022 50 0 IKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cccc(C)c2C)cc1 ZINC000028288733 556448459 /nfs/dbraw/zinc/44/84/59/556448459.db2.gz YSABQCXHJWJCEJ-HHHXNRCGSA-N 0 0 428.532 5.420 50 0 IKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000028288833 556448491 /nfs/dbraw/zinc/44/84/91/556448491.db2.gz ACUBNWODJJCMFD-HHHXNRCGSA-N 0 0 428.532 5.420 50 0 IKAARN CC(C)COc1ccc(C(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc1 ZINC000028288831 556448539 /nfs/dbraw/zinc/44/85/39/556448539.db2.gz JWEJGWXKBKBGIG-UHFFFAOYSA-N 0 0 429.314 5.319 50 0 IKAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)ccc1Cl ZINC000028289139 556449198 /nfs/dbraw/zinc/44/91/98/556449198.db2.gz ZLBKXQVNLRPDIM-HNNXBMFYSA-N 0 0 433.310 5.837 50 0 IKAARN COc1ccc(F)cc1C(=O)COC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000014846177 556449493 /nfs/dbraw/zinc/44/94/93/556449493.db2.gz VATXFCPKSCSRMV-JKSUJKDBSA-N 0 0 427.497 5.144 50 0 IKAARN Cc1cc(OCC(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc(C)c1Cl ZINC000028290641 556449744 /nfs/dbraw/zinc/44/97/44/556449744.db2.gz WKRUUDSLMGARRQ-UHFFFAOYSA-N 0 0 449.732 5.320 50 0 IKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028291762 556450055 /nfs/dbraw/zinc/45/00/55/556450055.db2.gz STHFMKCTWJMSRM-HSZRJFAPSA-N 0 0 434.580 5.150 50 0 IKAARN COc1ccccc1NC(=O)c1nc(SCc2cccc(C)c2)ncc1Br ZINC000028292405 556450308 /nfs/dbraw/zinc/45/03/08/556450308.db2.gz PSLNFKVRSQAKFW-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN O=C(Nc1ccccc1)c1nc(SCc2ccc(Cl)cc2)ncc1Br ZINC000028291953 556450350 /nfs/dbraw/zinc/45/03/50/556450350.db2.gz COLFNLNYUJVXGF-UHFFFAOYSA-N 0 0 434.746 5.437 50 0 IKAARN Clc1c2ccccc2sc1-c1nnc(SCc2csc(-c3ccccc3)n2)o1 ZINC000013062491 556451086 /nfs/dbraw/zinc/45/10/86/556451086.db2.gz WHINTWCYFQPNKE-UHFFFAOYSA-N 0 0 441.990 7.021 50 0 IKAARN CC[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Br)cc1 ZINC000032865867 556451093 /nfs/dbraw/zinc/45/10/93/556451093.db2.gz LHBPKIDZOBXMEX-OAHLLOKOSA-N 0 0 447.354 5.545 50 0 IKAARN Cc1cc(C)cc(C(=O)N(c2nc3ccccc3s2)c2ccc(Cl)c(Cl)c2)c1 ZINC000013062967 556451328 /nfs/dbraw/zinc/45/13/28/556451328.db2.gz VDJJVRXWXYJJHG-UHFFFAOYSA-N 0 0 427.356 7.198 50 0 IKAARN COc1ccccc1-c1cc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)on1 ZINC000032865961 556451435 /nfs/dbraw/zinc/45/14/35/556451435.db2.gz NIDFUAPSZUOBDR-UHFFFAOYSA-N 0 0 447.994 6.273 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000013063152 556451735 /nfs/dbraw/zinc/45/17/35/556451735.db2.gz VKNWQOWUDVUIQH-UHFFFAOYSA-N 0 0 426.604 7.393 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 ZINC000013063070 556451773 /nfs/dbraw/zinc/45/17/73/556451773.db2.gz NNHXJRBLUOTSAV-OAQYLSRUSA-N 0 0 425.532 5.334 50 0 IKAARN Cc1c(C)n(C[C@@H](O)Cn2c3ccccc3nc2Cc2ccccc2)c2c1cccc2Cl ZINC000028296778 556451819 /nfs/dbraw/zinc/45/18/19/556451819.db2.gz LKVFBHVBXPKFGI-OAQYLSRUSA-N 0 0 443.978 5.913 50 0 IKAARN CN(Cc1ccccc1)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S ZINC000013063492 556452014 /nfs/dbraw/zinc/45/20/14/556452014.db2.gz GKYRUMOIZIEHBV-UHFFFAOYSA-N 0 0 438.959 5.952 50 0 IKAARN Cc1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000014876935 556452159 /nfs/dbraw/zinc/45/21/59/556452159.db2.gz PNWWRQRKAJQPGT-UHFFFAOYSA-N 0 0 442.302 5.304 50 0 IKAARN C[C@@H]1CCCN(Cn2nc(COc3ccc(Cl)cc3)n(-c3ccccc3)c2=S)C1 ZINC000013063528 556452076 /nfs/dbraw/zinc/45/20/76/556452076.db2.gz UICYCVNVCRPXPA-QGZVFWFLSA-N 0 0 428.989 5.325 50 0 IKAARN CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OC ZINC000013063513 556452112 /nfs/dbraw/zinc/45/21/12/556452112.db2.gz ORAJEGJTWIOVIY-UHFFFAOYSA-N 0 0 445.563 5.292 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000013068498 556452578 /nfs/dbraw/zinc/45/25/78/556452578.db2.gz CUPBMNZNNMVNIS-UHFFFAOYSA-N 0 0 444.556 6.056 50 0 IKAARN CN(Cc1ccc(Cl)cc1)Cn1nc(Cc2cccs2)n(C2CCCCC2)c1=S ZINC000013069222 556452879 /nfs/dbraw/zinc/45/28/79/556452879.db2.gz ZBJZHTBRPOMTDA-UHFFFAOYSA-N 0 0 447.073 6.314 50 0 IKAARN Cc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)cc1 ZINC000013070141 556453191 /nfs/dbraw/zinc/45/31/91/556453191.db2.gz OMWDMFGJAZLENL-UHFFFAOYSA-N 0 0 449.023 6.181 50 0 IKAARN COc1ccc(CN(C(=O)c2oc3c(ccc(C)c3C)c2C)c2ccccn2)cc1OC ZINC000028402916 556453423 /nfs/dbraw/zinc/45/34/23/556453423.db2.gz LWDPNIOTQBXOBG-UHFFFAOYSA-N 0 0 430.504 5.617 50 0 IKAARN CN(Cc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000013070713 556453412 /nfs/dbraw/zinc/45/34/12/556453412.db2.gz RCUMVGVMTIVTRY-UHFFFAOYSA-N 0 0 430.360 5.590 50 0 IKAARN Cn1c(CSc2nc3ccccc3s2)nn(CN2CCC[C@@H]3CCCC[C@@H]32)c1=S ZINC000013071816 556453765 /nfs/dbraw/zinc/45/37/65/556453765.db2.gz AWGRFAHOYQYNSJ-RDJZCZTQSA-N 0 0 445.683 5.465 50 0 IKAARN CC(C)n1c(=S)n(CN2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1Cl ZINC000013071828 556453781 /nfs/dbraw/zinc/45/37/81/556453781.db2.gz RWGDUDCBAGTJRV-KXBFYZLASA-N 0 0 439.456 6.581 50 0 IKAARN O=C(COc1ccc(Br)cc1)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028403708 556453784 /nfs/dbraw/zinc/45/37/84/556453784.db2.gz KQVMAOBPLJHNBN-UHFFFAOYSA-N 0 0 431.717 5.110 50 0 IKAARN CN(Cc1ccc(C(C)(C)C)cc1)Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S ZINC000013073519 556454311 /nfs/dbraw/zinc/45/43/11/556454311.db2.gz MUETZKNZKLLQTA-UHFFFAOYSA-N 0 0 432.593 6.050 50 0 IKAARN Cc1ccccc1-n1c(=S)n(CN(C)Cc2ccccc2Cl)nc1-c1cccnc1 ZINC000013073794 556454581 /nfs/dbraw/zinc/45/45/81/556454581.db2.gz KQAZOCZOYDUGTJ-UHFFFAOYSA-N 0 0 435.984 5.517 50 0 IKAARN Cc1cc(C(=O)COC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)c(C)n1C ZINC000013076018 556455660 /nfs/dbraw/zinc/45/56/60/556455660.db2.gz QINXWRBURYMPNP-IBGZPJMESA-N 0 0 444.881 5.177 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1)c1ccc(F)cc1 ZINC000032958483 556456340 /nfs/dbraw/zinc/45/63/40/556456340.db2.gz LZNODCUVUFBZPH-UHFFFAOYSA-N 0 0 438.915 5.522 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000013095427 556456346 /nfs/dbraw/zinc/45/63/46/556456346.db2.gz NSSZKNQUTQYAJE-UHFFFAOYSA-N 0 0 438.531 5.274 50 0 IKAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000013095941 556456632 /nfs/dbraw/zinc/45/66/32/556456632.db2.gz IKAXMCHACMPGLG-UHFFFAOYSA-N 0 0 437.373 5.552 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)cc1Cl ZINC000013095942 556456652 /nfs/dbraw/zinc/45/66/52/556456652.db2.gz RGDZTMOWTSJONB-UHFFFAOYSA-N 0 0 434.970 5.312 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc2c(c1)OCCCO2 ZINC000013096009 556457002 /nfs/dbraw/zinc/45/70/02/556457002.db2.gz LAUGTUJVYPOUNG-NRFANRHFSA-N 0 0 429.607 5.454 50 0 IKAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4-n4cncn4)cc3c2C1 ZINC000013096007 556457007 /nfs/dbraw/zinc/45/70/07/556457007.db2.gz JYITWLFGXYIJDH-ZDUSSCGKSA-N 0 0 439.441 5.145 50 0 IKAARN FC(F)n1c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)nc2ccccc21 ZINC000014902669 556457249 /nfs/dbraw/zinc/45/72/49/556457249.db2.gz BVWFSMYOFPRSRU-UHFFFAOYSA-N 0 0 433.793 5.439 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000013096473 556457242 /nfs/dbraw/zinc/45/72/42/556457242.db2.gz ZZALDPICEUNQCL-AREMUKBSSA-N 0 0 430.548 6.043 50 0 IKAARN FC(F)n1c(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)nc2ccccc21 ZINC000014902577 556457284 /nfs/dbraw/zinc/45/72/84/556457284.db2.gz JPNGEWXTZXNWLK-UHFFFAOYSA-N 0 0 448.502 5.426 50 0 IKAARN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000028634945 556457842 /nfs/dbraw/zinc/45/78/42/556457842.db2.gz FTIRFEPXOJSNRO-UHFFFAOYSA-N 0 0 428.838 5.518 50 0 IKAARN Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000013097485 556458307 /nfs/dbraw/zinc/45/83/07/556458307.db2.gz VTRVNMOUHVWNOM-MRXNPFEDSA-N 0 0 437.586 5.661 50 0 IKAARN Cn1c(CSc2nc3ccccc3s2)nn(CN2CC[C@H]3CCCC[C@@H]3C2)c1=S ZINC000013097677 556458534 /nfs/dbraw/zinc/45/85/34/556458534.db2.gz KEKJUJKNCITDAD-HZPDHXFCSA-N 0 0 445.683 5.323 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000013100404 556459830 /nfs/dbraw/zinc/45/98/30/556459830.db2.gz BWOMCCKGYRUAEC-UHFFFAOYSA-N 0 0 429.907 6.353 50 0 IKAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013102071 556461099 /nfs/dbraw/zinc/46/10/99/556461099.db2.gz FCHKUBDYZFKMDX-QFIPXVFZSA-N 0 0 426.497 5.517 50 0 IKAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 ZINC000013102109 556461120 /nfs/dbraw/zinc/46/11/20/556461120.db2.gz RNDXZOHJXZINAE-HXUWFJFHSA-N 0 0 431.966 5.216 50 0 IKAARN CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)C2)cc1 ZINC000014952971 556461258 /nfs/dbraw/zinc/46/12/58/556461258.db2.gz OHKLIUNXJSRBBK-QHCPKHFHSA-N 0 0 447.604 5.005 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1c[nH]c2ccccc21 ZINC000013108906 556462698 /nfs/dbraw/zinc/46/26/98/556462698.db2.gz FIXQNLYYXAHKKI-UHFFFAOYSA-N 0 0 430.558 5.511 50 0 IKAARN Cc1cccc(Oc2ccccc2NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 ZINC000013109917 556463629 /nfs/dbraw/zinc/46/36/29/556463629.db2.gz RCVJLKTVJVYAEJ-UHFFFAOYSA-N 0 0 448.523 5.453 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1ccccc1F ZINC000013109968 556463897 /nfs/dbraw/zinc/46/38/97/556463897.db2.gz VKIUUJNZAAONND-UHFFFAOYSA-N 0 0 429.546 5.063 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000032959132 556464043 /nfs/dbraw/zinc/46/40/43/556464043.db2.gz MKSRYYLVPIGWDG-UHFFFAOYSA-N 0 0 431.923 5.485 50 0 IKAARN CC(=O)N(c1nc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1)c1ccccc1 ZINC000028923017 556464147 /nfs/dbraw/zinc/46/41/47/556464147.db2.gz KWCBWMCCOGTLMX-XMMPIXPASA-N 0 0 437.528 5.817 50 0 IKAARN Cc1sc2[nH]c([C@@H](C)Sc3nc(C(F)(F)F)nc4ccccc43)nc(=O)c2c1C ZINC000013112694 556465550 /nfs/dbraw/zinc/46/55/50/556465550.db2.gz JEKOSJBSXUFILN-SNVBAGLBSA-N 0 0 436.484 5.417 50 0 IKAARN Cc1nc(CSc2ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccccc3)cc2)cs1 ZINC000029009321 556465613 /nfs/dbraw/zinc/46/56/13/556465613.db2.gz BCNYBWQNBLDWDW-JKSUJKDBSA-N 0 0 440.590 5.167 50 0 IKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000013113113 556466155 /nfs/dbraw/zinc/46/61/55/556466155.db2.gz KROJZHJELHQQEU-LSDHHAIUSA-N 0 0 433.499 5.267 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)s2)cs1 ZINC000013114240 556466454 /nfs/dbraw/zinc/46/64/54/556466454.db2.gz QDIBWGSLLXZUJA-UHFFFAOYSA-N 0 0 437.594 5.313 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)NCCc2cccs2)n1 ZINC000013114228 556466470 /nfs/dbraw/zinc/46/64/70/556466470.db2.gz VYTHFFZJZNZHTL-UHFFFAOYSA-N 0 0 425.604 5.179 50 0 IKAARN c1csc([C@@H]2CCCCN2Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000014970179 556466691 /nfs/dbraw/zinc/46/66/91/556466691.db2.gz DZZMWABRVAOLHO-NRFANRHFSA-N 0 0 444.560 5.452 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013114508 556466682 /nfs/dbraw/zinc/46/66/82/556466682.db2.gz ZQYKLENGNPYRAR-KSFYIVLOSA-N 0 0 442.540 5.584 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000013114677 556467165 /nfs/dbraw/zinc/46/71/65/556467165.db2.gz XWSYZDFLSSPBRW-UHFFFAOYSA-N 0 0 432.549 5.655 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H]2c2nccs2)c(F)c1 ZINC000014973838 556467778 /nfs/dbraw/zinc/46/77/78/556467778.db2.gz UTPCZILJLAFYDS-QFIPXVFZSA-N 0 0 434.540 5.481 50 0 IKAARN COC(=O)[C@H](C)Sc1nnc(Cc2cccc3ccccc32)n1-c1ccc(C)cc1C ZINC000013115873 556468164 /nfs/dbraw/zinc/46/81/64/556468164.db2.gz JOSHFAKVFNFIGX-SFHVURJKSA-N 0 0 431.561 5.282 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Br)cc2)o1 ZINC000013115850 556468195 /nfs/dbraw/zinc/46/81/95/556468195.db2.gz AVAUQVZLYAWONJ-LBPRGKRZSA-N 0 0 439.306 5.282 50 0 IKAARN Cc1ccc(-n2cc(CN(C)Cc3nnc(-c4ccccc4)o3)c(-c3cccc(C)c3)n2)cc1 ZINC000014976529 556468793 /nfs/dbraw/zinc/46/87/93/556468793.db2.gz XTNMLBCHOYORIR-UHFFFAOYSA-N 0 0 449.558 5.838 50 0 IKAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 ZINC000013116964 556469069 /nfs/dbraw/zinc/46/90/69/556469069.db2.gz RETDXMIIAJPRKN-OAHLLOKOSA-N 0 0 433.537 5.116 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1 ZINC000013117286 556469549 /nfs/dbraw/zinc/46/95/49/556469549.db2.gz UFQFSYRNQBMSSK-UHFFFAOYSA-N 0 0 429.545 5.359 50 0 IKAARN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000013117542 556470121 /nfs/dbraw/zinc/47/01/21/556470121.db2.gz JLYFIZYLSPZDNE-AWEZNQCLSA-N 0 0 440.594 5.300 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)NCc2ccc(-c3csc(C)n3)s2)no1 ZINC000013118035 556471034 /nfs/dbraw/zinc/47/10/34/556471034.db2.gz FIYZFRYNBICCRD-UHFFFAOYSA-N 0 0 441.603 5.699 50 0 IKAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(Cc3ccco3)C3CC3)c12 ZINC000029270687 556471350 /nfs/dbraw/zinc/47/13/50/556471350.db2.gz IQQNSBPVZXQJJH-UHFFFAOYSA-N 0 0 441.409 5.615 50 0 IKAARN COc1cc(CN(C)C(=O)c2cc(-c3cccnc3)nc3ccccc32)ccc1OC(F)F ZINC000029292458 556471663 /nfs/dbraw/zinc/47/16/63/556471663.db2.gz KCVBUSLRZYVCNG-UHFFFAOYSA-N 0 0 449.457 5.179 50 0 IKAARN Cc1sc2nc(C)nc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)c2c1C ZINC000013119723 556471820 /nfs/dbraw/zinc/47/18/20/556471820.db2.gz PQACTJLXASLYLD-GFCCVEGCSA-N 0 0 442.635 5.538 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3OC(=O)/C=C/c3ccccc3)=NN2C(C)=O)cc1 ZINC000013120580 556472519 /nfs/dbraw/zinc/47/25/19/556472519.db2.gz YLIRMQHTZDSFLG-HSEDLZSMSA-N 0 0 440.499 5.012 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000013120573 556472555 /nfs/dbraw/zinc/47/25/55/556472555.db2.gz HXHXSLQEZFFNDU-UHFFFAOYSA-N 0 0 426.498 5.185 50 0 IKAARN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000072282606 556472565 /nfs/dbraw/zinc/47/25/65/556472565.db2.gz MMDXOYKXQOMCDQ-SANMLTNESA-N 0 0 444.510 5.011 50 0 IKAARN COc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C[C@@H]2CCCO2)cc1 ZINC000013120654 556472620 /nfs/dbraw/zinc/47/26/20/556472620.db2.gz FWQFFWKSOWXHDT-FQEVSTJZSA-N 0 0 448.548 5.080 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013483842 556472969 /nfs/dbraw/zinc/47/29/69/556472969.db2.gz AGUFWTFDGVDCAS-UHFFFAOYSA-N 0 0 435.524 5.172 50 0 IKAARN Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)o2)c1 ZINC000013120964 556473185 /nfs/dbraw/zinc/47/31/85/556473185.db2.gz RPSXCYXSQQOKGL-OAHLLOKOSA-N 0 0 438.578 5.275 50 0 IKAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000029380981 556473970 /nfs/dbraw/zinc/47/39/70/556473970.db2.gz ADBDILSRQPDSNI-SFHVURJKSA-N 0 0 432.014 5.544 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000029377727 556474072 /nfs/dbraw/zinc/47/40/72/556474072.db2.gz WALNYWRHTPFLIG-UHFFFAOYSA-N 0 0 443.934 5.088 50 0 IKAARN Cc1nc2cc(NC(=O)c3ccccc3SCC(=O)N3CCc4ccccc43)ccc2o1 ZINC000013121575 556474478 /nfs/dbraw/zinc/47/44/78/556474478.db2.gz NOVHAOHUFOZKRR-UHFFFAOYSA-N 0 0 443.528 5.070 50 0 IKAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cncn1-c1ccccc1 ZINC000029434972 556475343 /nfs/dbraw/zinc/47/53/43/556475343.db2.gz DMMJPZPAWQWFTF-UHFFFAOYSA-N 0 0 447.560 5.184 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000013126873 556475384 /nfs/dbraw/zinc/47/53/84/556475384.db2.gz HYEKKVMGMNULFI-HSZRJFAPSA-N 0 0 439.540 5.866 50 0 IKAARN CCN(CC)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000072284693 556475433 /nfs/dbraw/zinc/47/54/33/556475433.db2.gz RBMVZSFJPPPQDV-LJQANCHMSA-N 0 0 441.881 5.339 50 0 IKAARN CCn1c(S[C@H]2C[C@@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000013127009 556475523 /nfs/dbraw/zinc/47/55/23/556475523.db2.gz NNHYSSVJYGBLAH-ZHRRBRCNSA-N 0 0 444.560 5.285 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)[C@H](C)S(C)(=O)=O)cc2F)cc1 ZINC000072285148 556475669 /nfs/dbraw/zinc/47/56/69/556475669.db2.gz ZEMVITPHVBFUKN-CVEARBPZSA-N 0 0 437.602 5.053 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2c(-c3ccccc3)nc3sccn32)N1CC(F)(F)F ZINC000013127232 556475736 /nfs/dbraw/zinc/47/57/36/556475736.db2.gz WACXNQGXGCDFSC-GOSISDBHSA-N 0 0 428.439 5.192 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000013128003 556476812 /nfs/dbraw/zinc/47/68/12/556476812.db2.gz VWLZDWZYXOCTBQ-UHFFFAOYSA-N 0 0 435.984 5.644 50 0 IKAARN Cc1nc(-c2ccc(CN[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)s2)cs1 ZINC000013128043 556477034 /nfs/dbraw/zinc/47/70/34/556477034.db2.gz PVMGHMROWWABQH-HSZRJFAPSA-N 0 0 433.602 5.958 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cc2ccccc2o1 ZINC000013128133 556477218 /nfs/dbraw/zinc/47/72/18/556477218.db2.gz OHTOUUCXGFMBAY-AWEZNQCLSA-N 0 0 436.512 5.135 50 0 IKAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000029516350 556477240 /nfs/dbraw/zinc/47/72/40/556477240.db2.gz YAYGJJMSLRWQHH-UHFFFAOYSA-N 0 0 443.478 5.237 50 0 IKAARN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000072285476 556477254 /nfs/dbraw/zinc/47/72/54/556477254.db2.gz UCUDLEVPXNFKND-DQEYMECFSA-N 0 0 431.580 5.077 50 0 IKAARN O=C(CSc1ncnc2ccsc21)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000029535970 556477602 /nfs/dbraw/zinc/47/76/02/556477602.db2.gz UCKMSXFOLDMVGK-QGZVFWFLSA-N 0 0 429.617 5.081 50 0 IKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1cccs1 ZINC000013128636 556478127 /nfs/dbraw/zinc/47/81/27/556478127.db2.gz ZOYMZNOFKBLQOQ-QFIPXVFZSA-N 0 0 426.545 5.689 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(NC[C@H]4CCCO4)s3)cs2)cc1 ZINC000013128713 556478145 /nfs/dbraw/zinc/47/81/45/556478145.db2.gz SWKYGCDKKPGNTO-CQSZACIVSA-N 0 0 425.004 5.198 50 0 IKAARN COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)[C@@H]2CCCO2)C2CC2)c1 ZINC000014996739 556478267 /nfs/dbraw/zinc/47/82/67/556478267.db2.gz RBBLZHQMGWTAKM-DEOSSOPVSA-N 0 0 448.588 5.302 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3cc(C)n(Cc4cccs4)c3C)cc2)n1 ZINC000013129299 556478864 /nfs/dbraw/zinc/47/88/64/556478864.db2.gz PZLFMMPHCOGBRN-UHFFFAOYSA-N 0 0 447.560 5.057 50 0 IKAARN O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000013129050 556478879 /nfs/dbraw/zinc/47/88/79/556478879.db2.gz MUXJEPWRNRZLJA-UHFFFAOYSA-N 0 0 440.421 5.195 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013129337 556479230 /nfs/dbraw/zinc/47/92/30/556479230.db2.gz AQNCLFSYPLWCMH-MHZLTWQESA-N 0 0 433.507 5.984 50 0 IKAARN Cc1sc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc1-c1ccccc1 ZINC000013129449 556479249 /nfs/dbraw/zinc/47/92/49/556479249.db2.gz FBLWDLCVSRCOPL-JOCHJYFZSA-N 0 0 441.556 5.098 50 0 IKAARN CCCCN(C(=O)c1ccccc1Nc1cccc(C)c1C)c1nc2ccccc2s1 ZINC000013129716 556479577 /nfs/dbraw/zinc/47/95/77/556479577.db2.gz VUPVPMDBICUQBE-UHFFFAOYSA-N 0 0 429.589 7.104 50 0 IKAARN O=C(C1CCC1)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1 ZINC000015001614 556480061 /nfs/dbraw/zinc/48/00/61/556480061.db2.gz YKKWTNHLIWOJSZ-FQEVSTJZSA-N 0 0 449.572 5.257 50 0 IKAARN Cc1cccc(OCc2nnc(SCc3cc(=O)oc4cc(C)c(C(C)C)cc34)o2)c1 ZINC000013131505 556480414 /nfs/dbraw/zinc/48/04/14/556480414.db2.gz HTPRDZAABCKXLQ-UHFFFAOYSA-N 0 0 436.533 5.788 50 0 IKAARN COc1cc([C@@H]2CCN(Cc3cccc(F)c3)c3ccccc3S2)cc(OC)c1OC ZINC000015003416 556480974 /nfs/dbraw/zinc/48/09/74/556480974.db2.gz DRJWIYKKRSUFPK-QHCPKHFHSA-N 0 0 439.552 6.095 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc(-c2ccco2)no1 ZINC000029738686 556480966 /nfs/dbraw/zinc/48/09/66/556480966.db2.gz SUWAQNRVEDLLDA-CQSZACIVSA-N 0 0 441.582 5.932 50 0 IKAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1c(Cl)nc2sccn21 ZINC000011055619 556481011 /nfs/dbraw/zinc/48/10/11/556481011.db2.gz LMZFIQKNGHHHSQ-HXUWFJFHSA-N 0 0 444.871 5.153 50 0 IKAARN Cc1sc2nc(S[C@@H](C)c3nc(-c4ccco4)no3)n(C3CCCC3)c(=O)c2c1C ZINC000029739430 556481143 /nfs/dbraw/zinc/48/11/43/556481143.db2.gz CDSZSZBYTSYZOS-ZDUSSCGKSA-N 0 0 442.566 5.686 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1F ZINC000013134185 556481995 /nfs/dbraw/zinc/48/19/95/556481995.db2.gz FEBHSTJKGGZDOB-MRXNPFEDSA-N 0 0 437.458 5.797 50 0 IKAARN CCOC(=O)c1c(CSc2nncn2C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000029769708 556482170 /nfs/dbraw/zinc/48/21/70/556482170.db2.gz BUUUCQFRIMBXPU-UHFFFAOYSA-N 0 0 432.549 5.543 50 0 IKAARN CC(C)C(=O)N1CCOc2c(cc(-c3csc4ccccc43)cc2O[C@H]2CCOC2)C1 ZINC000015008155 556482287 /nfs/dbraw/zinc/48/22/87/556482287.db2.gz KRSANMGBGPTRHF-IBGZPJMESA-N 0 0 437.561 5.113 50 0 IKAARN COc1cc(NC(=O)CCC2CCCC2)c(C(=O)NCc2cccc(Cl)c2)cc1OC ZINC000013134546 556482644 /nfs/dbraw/zinc/48/26/44/556482644.db2.gz HRBOSVSZFQUIQD-UHFFFAOYSA-N 0 0 444.959 5.196 50 0 IKAARN O=C(CSc1nc2ccccc2o1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013134974 556482982 /nfs/dbraw/zinc/48/29/82/556482982.db2.gz IJLTZHWDHMYHFK-UHFFFAOYSA-N 0 0 426.950 6.363 50 0 IKAARN Cc1sc2nc(S[C@H](C)C(=O)N(C)c3ccccc3)n(C3CCCC3)c(=O)c2c1C ZINC000013135004 556483067 /nfs/dbraw/zinc/48/30/67/556483067.db2.gz PTOMQLTZANLVDU-MRXNPFEDSA-N 0 0 441.622 5.334 50 0 IKAARN Cc1sc2nc(S[C@@H](C)C(=O)N(C)c3ccccc3)n(C3CCCC3)c(=O)c2c1C ZINC000013135005 556483147 /nfs/dbraw/zinc/48/31/47/556483147.db2.gz PTOMQLTZANLVDU-INIZCTEOSA-N 0 0 441.622 5.334 50 0 IKAARN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000015011279 556483508 /nfs/dbraw/zinc/48/35/08/556483508.db2.gz FGIYTYWROSSJSH-HKWRFOASSA-N 0 0 428.642 5.720 50 0 IKAARN COc1cc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc(OC)c1OC ZINC000013135955 556483681 /nfs/dbraw/zinc/48/36/81/556483681.db2.gz BTQGKLZVCQBANJ-UHFFFAOYSA-N 0 0 442.515 5.200 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4ccc(F)cc4Cl)no3)CCCC2)c1 ZINC000072289755 556483749 /nfs/dbraw/zinc/48/37/49/556483749.db2.gz CDFXLNQXJRPGEZ-UHFFFAOYSA-N 0 0 434.920 5.389 50 0 IKAARN CCc1cccc(NC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)c1 ZINC000013138111 556485009 /nfs/dbraw/zinc/48/50/09/556485009.db2.gz QDBPRGVGYAXOPN-UHFFFAOYSA-N 0 0 429.467 6.229 50 0 IKAARN COc1ccccc1N(Cc1nc2ccccc2s1)S(=O)(=O)c1cccc(Cl)c1 ZINC000013138107 556485017 /nfs/dbraw/zinc/48/50/17/556485017.db2.gz TUUMVDHXUFTIMB-UHFFFAOYSA-N 0 0 444.965 5.354 50 0 IKAARN O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000013138032 556485044 /nfs/dbraw/zinc/48/50/44/556485044.db2.gz NLYHBJMUOPAJFH-UHFFFAOYSA-N 0 0 428.315 5.697 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)c3ccccc3n2)cc1 ZINC000013138062 556485056 /nfs/dbraw/zinc/48/50/56/556485056.db2.gz AAUYCNIXYPWKLT-UHFFFAOYSA-N 0 0 447.332 6.234 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cc(C)nc3ccccc32)c1 ZINC000032876202 556485743 /nfs/dbraw/zinc/48/57/43/556485743.db2.gz CRXJQQUEPGBXBC-HXUWFJFHSA-N 0 0 437.543 5.905 50 0 IKAARN CC(=O)Oc1ccc(Br)c(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1 ZINC000015016702 556486254 /nfs/dbraw/zinc/48/62/54/556486254.db2.gz UVFUERQTGPCSIT-VQHVLOKHSA-N 0 0 426.266 5.018 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 ZINC000013141241 556486610 /nfs/dbraw/zinc/48/66/10/556486610.db2.gz NCLMZHYUJGFOEQ-QGZVFWFLSA-N 0 0 440.638 5.405 50 0 IKAARN CCOc1c(Br)cc([C@@H]2Nc3ccc(OC)cc3[C@H]3OCCC[C@@H]23)cc1OC ZINC000015018095 556486848 /nfs/dbraw/zinc/48/68/48/556486848.db2.gz ZMLHSENHWUCUEB-JHVJFLLYSA-N 0 0 448.357 5.500 50 0 IKAARN O=C(CNc1cc2c(cc1Cl)OCCCO2)Nc1ccc(Cl)cc1C(F)(F)F ZINC000029936609 556486909 /nfs/dbraw/zinc/48/69/09/556486909.db2.gz VGDILLFWCISNJP-UHFFFAOYSA-N 0 0 435.229 5.224 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000013141688 556486903 /nfs/dbraw/zinc/48/69/03/556486903.db2.gz DIFMZOKTIWBIMK-UHFFFAOYSA-N 0 0 445.563 6.292 50 0 IKAARN O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013141751 556487024 /nfs/dbraw/zinc/48/70/24/556487024.db2.gz IUDVEAMVENJCAC-UHFFFAOYSA-N 0 0 447.943 6.440 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cc2ccccc2o1 ZINC000015018949 556487562 /nfs/dbraw/zinc/48/75/62/556487562.db2.gz YHJXQPVTLLJRRL-UHFFFAOYSA-N 0 0 442.928 5.104 50 0 IKAARN CCn1c(SCc2c(C)cc(C(C)(C)C)cc2C)nnc1-c1ccc(Cl)cc1Cl ZINC000013145733 556488094 /nfs/dbraw/zinc/48/80/94/556488094.db2.gz MIIIZTVXUWEOIY-UHFFFAOYSA-N 0 0 448.463 7.478 50 0 IKAARN CN(C(=O)CSc1nn2c(nnc2-c2ccc(C(C)(C)C)cc2)s1)C1CCCCC1 ZINC000013147784 556489002 /nfs/dbraw/zinc/48/90/02/556489002.db2.gz SSDYSAPYYPOOGF-UHFFFAOYSA-N 0 0 443.642 5.034 50 0 IKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000030013243 556489221 /nfs/dbraw/zinc/48/92/21/556489221.db2.gz ZMEWDHWRCMDMKW-UHFFFAOYSA-N 0 0 425.964 5.292 50 0 IKAARN O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(Cc2ccsc2)CC1 ZINC000030027765 556489619 /nfs/dbraw/zinc/48/96/19/556489619.db2.gz KCULMQKMPRJXCE-UHFFFAOYSA-N 0 0 449.601 5.140 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2OCCOc2ccccc2)ccc1Br ZINC000013148349 556489723 /nfs/dbraw/zinc/48/97/23/556489723.db2.gz SILGJGNKVZTCDZ-UHFFFAOYSA-N 0 0 426.310 5.468 50 0 IKAARN Cc1sc2ncnc(Sc3nnc(-c4sc5ccccc5c4Cl)o3)c2c1C ZINC000013148447 556490026 /nfs/dbraw/zinc/49/00/26/556490026.db2.gz CTIDQAFDUQSHDZ-UHFFFAOYSA-N 0 0 430.967 6.377 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC(Cc4ccccc4)CC3)c2n1 ZINC000013148682 556490042 /nfs/dbraw/zinc/49/00/42/556490042.db2.gz JLCXWVNZIWMFSO-UHFFFAOYSA-N 0 0 443.374 5.710 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)c1nnc(-c2ccccc2)o1 ZINC000013148681 556490070 /nfs/dbraw/zinc/49/00/70/556490070.db2.gz AXYZNWWKHQMGPT-NSHDSACASA-N 0 0 449.483 6.204 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000013148803 556490333 /nfs/dbraw/zinc/49/03/33/556490333.db2.gz DLZDLDRUQHDKDJ-UHFFFAOYSA-N 0 0 433.291 5.044 50 0 IKAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000013148892 556490386 /nfs/dbraw/zinc/49/03/86/556490386.db2.gz XWSAAHDADVTYLG-UHFFFAOYSA-N 0 0 426.545 5.823 50 0 IKAARN O=C(COc1ccccc1F)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000013149567 556491395 /nfs/dbraw/zinc/49/13/95/556491395.db2.gz KEOJDVCIEMVFST-UHFFFAOYSA-N 0 0 447.491 5.219 50 0 IKAARN CCn1c(SCC(=O)Nc2ccnn2C2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000013150050 556492006 /nfs/dbraw/zinc/49/20/06/556492006.db2.gz HYAVKTJXNKFAIE-UHFFFAOYSA-N 0 0 444.992 5.051 50 0 IKAARN CC(C)(C)c1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc(F)cc1)S2 ZINC000013150365 556492263 /nfs/dbraw/zinc/49/22/63/556492263.db2.gz RFIBXOJAGMSISK-FUHWJXTLSA-N 0 0 430.936 5.010 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(SCC(C)C)c2c1C ZINC000013150459 556492268 /nfs/dbraw/zinc/49/22/68/556492268.db2.gz NVAGLXLCCUVXNY-UHFFFAOYSA-N 0 0 432.636 6.217 50 0 IKAARN C[C@](Cc1nc2ccccc2s1)(C(=O)OCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000013150387 556492285 /nfs/dbraw/zinc/49/22/85/556492285.db2.gz AQHVYQOSLCNNCX-RUZDIDTESA-N 0 0 448.519 5.118 50 0 IKAARN CNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(C(C)(C)C)cc1 ZINC000013150528 556492662 /nfs/dbraw/zinc/49/26/62/556492662.db2.gz OQSIMBLVJMPKNM-KNTRCKAVSA-N 0 0 442.559 5.312 50 0 IKAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000013153029 556492911 /nfs/dbraw/zinc/49/29/11/556492911.db2.gz YBELLFWODGGSKU-IBGZPJMESA-N 0 0 432.589 6.068 50 0 aggregator IKAARN COc1cccc2c1OCCCN(Cc1nc(C(c3ccccc3)c3ccccc3)no1)C2 ZINC000015066593 556492938 /nfs/dbraw/zinc/49/29/38/556492938.db2.gz ICSHZLYRAIIARI-UHFFFAOYSA-N 0 0 441.531 5.043 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000013163834 556494704 /nfs/dbraw/zinc/49/47/04/556494704.db2.gz ICPPGIRBMYLCDP-FQEVSTJZSA-N 0 0 438.527 5.657 50 0 IKAARN O=C(Cc1ccc2c(c1)OCCO2)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000013164018 556495306 /nfs/dbraw/zinc/49/53/06/556495306.db2.gz RLOBPEAJSFGCTN-HXUWFJFHSA-N 0 0 446.934 5.083 50 0 IKAARN O=C(Cc1ccc2c(c1)OCCO2)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000013164019 556495347 /nfs/dbraw/zinc/49/53/47/556495347.db2.gz RLOBPEAJSFGCTN-FQEVSTJZSA-N 0 0 446.934 5.083 50 0 IKAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)c3ccccc32)c1C ZINC000013164114 556495683 /nfs/dbraw/zinc/49/56/83/556495683.db2.gz BTCNGWFFCYHMGY-UHFFFAOYSA-N 0 0 431.561 5.337 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000015072306 556496752 /nfs/dbraw/zinc/49/67/52/556496752.db2.gz SDHFESDREQRGMW-QHCPKHFHSA-N 0 0 442.538 5.083 50 0 IKAARN COc1ccc(CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)C2CC2)cc1 ZINC000013164557 556496741 /nfs/dbraw/zinc/49/67/41/556496741.db2.gz MMQZWFQNZCLAAM-UHFFFAOYSA-N 0 0 445.588 5.442 50 0 IKAARN Cc1cc(C)n(-c2ccc(S[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)nn2)n1 ZINC000011068989 556497231 /nfs/dbraw/zinc/49/72/31/556497231.db2.gz GPVSDRZJNUFDIL-XMMPIXPASA-N 0 0 443.576 5.368 50 0 IKAARN CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccco1 ZINC000013165375 556498279 /nfs/dbraw/zinc/49/82/79/556498279.db2.gz RJQDORNHXROCNX-FQEVSTJZSA-N 0 0 434.521 5.039 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)n2)cc1 ZINC000013165357 556498282 /nfs/dbraw/zinc/49/82/82/556498282.db2.gz SGLFZCLGMZJUNM-UHFFFAOYSA-N 0 0 438.940 5.527 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000013205057 556498634 /nfs/dbraw/zinc/49/86/34/556498634.db2.gz IGHAHPMQTBMWRH-SANMLTNESA-N 0 0 431.539 5.798 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000013205064 556498706 /nfs/dbraw/zinc/49/87/06/556498706.db2.gz IGHAHPMQTBMWRH-AREMUKBSSA-N 0 0 431.539 5.798 50 0 IKAARN 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 ZINC000013298701 556501721 /nfs/dbraw/zinc/50/17/21/556501721.db2.gz PMBSWZWCNKVWLV-OLTZDTAVSA-N 0 0 442.684 7.139 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 ZINC000013304259 556501992 /nfs/dbraw/zinc/50/19/92/556501992.db2.gz WTGNJXPKFVUUTK-UHFFFAOYSA-N 0 0 444.585 6.334 50 0 IKAARN O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 ZINC000015085154 556502337 /nfs/dbraw/zinc/50/23/37/556502337.db2.gz ZXNUVAGMFKFYEO-HXUWFJFHSA-N 0 0 428.467 5.346 50 0 IKAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1)c1cccs1 ZINC000032878819 556502551 /nfs/dbraw/zinc/50/25/51/556502551.db2.gz DGVWHGTUSAAPHJ-KRWDZBQOSA-N 0 0 427.595 5.375 50 0 IKAARN COc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000013364528 556503052 /nfs/dbraw/zinc/50/30/52/556503052.db2.gz SYYRCZAMNQXHAN-HXUWFJFHSA-N 0 0 427.838 5.878 50 0 IKAARN Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1ncn2-c1cccc(C(F)(F)F)c1 ZINC000013364743 556503090 /nfs/dbraw/zinc/50/30/90/556503090.db2.gz BRXCVXHEYCRGOL-UHFFFAOYSA-N 0 0 437.347 5.905 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)ccc1OC ZINC000004554738 556503594 /nfs/dbraw/zinc/50/35/94/556503594.db2.gz YTWHFQUXBVUVIA-VFNWGFHPSA-N 0 0 428.598 6.125 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000015106620 556503803 /nfs/dbraw/zinc/50/38/03/556503803.db2.gz LHYFJQSZNOPYPQ-MRXNPFEDSA-N 0 0 448.441 5.941 50 0 IKAARN COc1cccc(-n2c(/C=C/c3cccc(Br)c3)nc3ccccc3c2=O)c1 ZINC000013372178 556503819 /nfs/dbraw/zinc/50/38/19/556503819.db2.gz VTWBYNDRSXMYSU-OUKQBFOZSA-N 0 0 433.305 5.327 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc(OC)c1OC ZINC000015106865 556504143 /nfs/dbraw/zinc/50/41/43/556504143.db2.gz SIOXAIQOBKXQQW-HOCLYGCPSA-N 0 0 429.582 5.399 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc(OC)c1OC ZINC000015106873 556504152 /nfs/dbraw/zinc/50/41/52/556504152.db2.gz SIOXAIQOBKXQQW-GDBMZVCRSA-N 0 0 429.582 5.399 50 0 IKAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1nc2ccccc2n1C(F)F ZINC000032879655 556505165 /nfs/dbraw/zinc/50/51/65/556505165.db2.gz YUPURHSSFNSPMC-HNNXBMFYSA-N 0 0 448.498 5.984 50 0 IKAARN S=c1n(CN(CCc2ccccc2)Cc2cccs2)nc(-c2cccnc2)n1C1CC1 ZINC000072293261 556505867 /nfs/dbraw/zinc/50/58/67/556505867.db2.gz OKOZILLHSHAFJE-UHFFFAOYSA-N 0 0 447.633 5.575 50 0 IKAARN Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](C)CCc3ccccc3)c(=O)oc1c2C ZINC000030819193 556506501 /nfs/dbraw/zinc/50/65/01/556506501.db2.gz IJZNCJTYXUGPGO-KRWDZBQOSA-N 0 0 431.532 5.535 50 0 IKAARN Cc1cc(C2=Nc3ccccc3S[C@@H](c3c(Cl)cccc3Cl)C2)ccc1Cl ZINC000013463944 556506545 /nfs/dbraw/zinc/50/65/45/556506545.db2.gz UUUKLHXXGLJXDT-OAQYLSRUSA-N 0 0 432.803 8.313 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccc(C)cc2)CCCC1 ZINC000030822857 556506875 /nfs/dbraw/zinc/50/68/75/556506875.db2.gz BGFGUYXIAKJPQM-UHFFFAOYSA-N 0 0 427.504 5.657 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013466443 556507187 /nfs/dbraw/zinc/50/71/87/556507187.db2.gz ZVRLJFORGYVJRM-UHFFFAOYSA-N 0 0 440.374 5.933 50 0 IKAARN O=C1NCCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000011071470 556508163 /nfs/dbraw/zinc/50/81/63/556508163.db2.gz RZBDEMXWIVZBAW-GOSISDBHSA-N 0 0 447.391 5.061 50 0 IKAARN O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl ZINC000013493055 556508499 /nfs/dbraw/zinc/50/84/99/556508499.db2.gz VEPKQEUBKLEPRA-UHFFFAOYSA-N 0 0 436.270 5.493 50 0 investigational IKAARN CCCCCCc1cc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc2cc1O ZINC000004421767 556508525 /nfs/dbraw/zinc/50/85/25/556508525.db2.gz NXNPQTDOCKCZLN-UHFFFAOYSA-N 0 0 439.512 6.023 50 0 biogenic IKAARN Clc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000013512308 556510559 /nfs/dbraw/zinc/51/05/59/556510559.db2.gz VAMUOLJAIJQGGF-XLIONFOSSA-N 0 0 445.769 6.406 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013511965 556510561 /nfs/dbraw/zinc/51/05/61/556510561.db2.gz IKXHSWHUXBQRKK-DSNGMDLFSA-N 0 0 438.458 5.030 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000013511818 556510593 /nfs/dbraw/zinc/51/05/93/556510593.db2.gz OTNJZKCUWMEFEG-NHYWBVRUSA-N 0 0 446.400 6.281 50 0 IKAARN Cc1cc2c3c(c1)-c1c(sn(-c4ccc5ccccc5c4)c1=S)C(C)(C)N3C(=O)C2=O ZINC000013513466 556510811 /nfs/dbraw/zinc/51/08/11/556510811.db2.gz CZADWAQTDNAHNQ-UHFFFAOYSA-N 0 0 442.565 6.175 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1C ZINC000013514361 556511052 /nfs/dbraw/zinc/51/10/52/556511052.db2.gz VCFLPNOJZJGLNZ-KRWDZBQOSA-N 0 0 448.589 5.029 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(C)cc2C)cc1 ZINC000013514010 556511106 /nfs/dbraw/zinc/51/11/06/556511106.db2.gz YFZSYJKLNCACQI-UHFFFAOYSA-N 0 0 442.559 5.938 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000013513504 556511172 /nfs/dbraw/zinc/51/11/72/556511172.db2.gz FUKFZDWBNKLDMY-UHFFFAOYSA-N 0 0 444.969 5.341 50 0 IKAARN CCCSc1nc2sc3c(c2c(SCc2ccccc2)n1)C[C@@](C)(CC)OC3 ZINC000013514068 556511196 /nfs/dbraw/zinc/51/11/96/556511196.db2.gz DDYORLISHPAKMG-JOCHJYFZSA-N 0 0 430.664 6.727 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1 ZINC000013518293 556511436 /nfs/dbraw/zinc/51/14/36/556511436.db2.gz QZAJWAVEPFKMJL-NRFANRHFSA-N 0 0 425.488 5.031 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000013517264 556511448 /nfs/dbraw/zinc/51/14/48/556511448.db2.gz JVLXCTATDQZTEU-JCMHNJIXSA-N 0 0 445.496 5.464 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)ccc1O ZINC000013518317 556511462 /nfs/dbraw/zinc/51/14/62/556511462.db2.gz PIJNRJUMKPFUIJ-IBGZPJMESA-N 0 0 445.906 5.381 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC ZINC000013518309 556511482 /nfs/dbraw/zinc/51/14/82/556511482.db2.gz QQAWGRLZPBJCSW-FQEVSTJZSA-N 0 0 425.488 5.031 50 0 IKAARN O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)C1CCCCC1 ZINC000015219936 556511724 /nfs/dbraw/zinc/51/17/24/556511724.db2.gz LVEABWUIXLOSGS-UHFFFAOYSA-N 0 0 437.609 5.970 50 0 IKAARN Cc1ccc(-n2c(SCc3nc4cc(Cl)ccc4[nH]3)nnc2-c2ccccc2)cc1C ZINC000013524559 556512288 /nfs/dbraw/zinc/51/22/88/556512288.db2.gz WCWWBUDEDCWBNC-UHFFFAOYSA-N 0 0 445.979 6.373 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)N(C)Cc2ccccc2)cc1 ZINC000013524930 556512294 /nfs/dbraw/zinc/51/22/94/556512294.db2.gz OUODVTGXSJPUGS-UHFFFAOYSA-N 0 0 431.561 5.175 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3Cl)c2n1 ZINC000013527664 556512607 /nfs/dbraw/zinc/51/26/07/556512607.db2.gz HJJKEOIDTNCEMH-UHFFFAOYSA-N 0 0 430.118 6.174 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000015231413 556512954 /nfs/dbraw/zinc/51/29/54/556512954.db2.gz DFUVDAQLHAAEQV-UHFFFAOYSA-N 0 0 426.903 6.096 50 0 IKAARN O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000013534201 556512960 /nfs/dbraw/zinc/51/29/60/556512960.db2.gz IJIOAXVDNUOUDM-UUFSLDAJSA-N 0 0 431.333 5.840 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 ZINC000004427776 556513182 /nfs/dbraw/zinc/51/31/82/556513182.db2.gz FFDYFAVOFVMQLW-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cccc2ccccc21 ZINC000004427917 556513519 /nfs/dbraw/zinc/51/35/19/556513519.db2.gz KYYHUWJRBWHBGI-UHFFFAOYSA-N 0 0 434.520 6.447 50 0 IKAARN CCOc1cc(/C=C/c2ccccc2OC)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000013540973 556513602 /nfs/dbraw/zinc/51/36/02/556513602.db2.gz JSBRAJIOZGFCRR-DPPKVHKGSA-N 0 0 439.555 7.168 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N(C)Cc2ccc(F)cc2)n1 ZINC000015277060 556514670 /nfs/dbraw/zinc/51/46/70/556514670.db2.gz MMIXIEPWANLGLJ-UHFFFAOYSA-N 0 0 437.565 5.557 50 0 IKAARN COc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000013549392 556514650 /nfs/dbraw/zinc/51/46/50/556514650.db2.gz ZGKUQETXZHVKEL-UHFFFAOYSA-N 0 0 425.297 5.077 50 0 IKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032895255 556514829 /nfs/dbraw/zinc/51/48/29/556514829.db2.gz UHRCTZGVRVGCOC-JOCHJYFZSA-N 0 0 437.515 5.923 50 0 IKAARN C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000013552260 556515245 /nfs/dbraw/zinc/51/52/45/556515245.db2.gz CIZWLGOBLZIFNE-RIYZIHGNSA-N 0 0 447.025 5.842 50 0 IKAARN CCOc1cc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)ccc1O ZINC000013552982 556515381 /nfs/dbraw/zinc/51/53/81/556515381.db2.gz UPZPLGTYEQMZEP-UHFFFAOYSA-N 0 0 435.321 6.278 50 0 IKAARN Cc1cccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)COC(C)(C)C3)c1 ZINC000013554904 556515829 /nfs/dbraw/zinc/51/58/29/556515829.db2.gz SBNXYMXBVBQRGM-UHFFFAOYSA-N 0 0 433.577 5.058 50 0 IKAARN Cc1ccc([C@@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@@H](C(C)C)C2)cc1 ZINC000013555288 556516051 /nfs/dbraw/zinc/51/60/51/556516051.db2.gz HWGMGUWZMIRCFG-KNQAVFIVSA-N 0 0 434.374 5.243 50 0 IKAARN CCc1ccc(C(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000015280381 556516199 /nfs/dbraw/zinc/51/61/99/556516199.db2.gz KQQPEDBJVCLPCY-UHFFFAOYSA-N 0 0 432.303 5.217 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1c1cccc(C(F)(F)F)c1 ZINC000015303920 556517150 /nfs/dbraw/zinc/51/71/50/556517150.db2.gz WUQZEWTUYPDDIM-LJQANCHMSA-N 0 0 437.248 6.783 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)nc3c2COC(C)(C)C3)c1 ZINC000013557362 556517235 /nfs/dbraw/zinc/51/72/35/556517235.db2.gz OFHXPKUJSFISEL-UHFFFAOYSA-N 0 0 433.577 5.343 50 0 IKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc2c1OCO2 ZINC000013563936 556518189 /nfs/dbraw/zinc/51/81/89/556518189.db2.gz KEHSNGBOVHVXGW-UHFFFAOYSA-N 0 0 449.304 5.911 50 0 IKAARN Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013564336 556518549 /nfs/dbraw/zinc/51/85/49/556518549.db2.gz KGRKYBHFYUZFSL-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc3ncsc3c1)CC2 ZINC000015317822 556519277 /nfs/dbraw/zinc/51/92/77/556519277.db2.gz UURTXQHKEZUHIJ-DEOSSOPVSA-N 0 0 430.529 5.101 50 0 IKAARN CC[C@@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CC1 ZINC000004562171 556519573 /nfs/dbraw/zinc/51/95/73/556519573.db2.gz AXQGQSSSYMMPFV-QGZVFWFLSA-N 0 0 430.589 5.009 50 0 IKAARN Cc1oc2c(c1C(=O)N1CC=C(c3c[nH]c4ccccc43)CC1)c(F)c(F)c(F)c2F ZINC000011075622 556519934 /nfs/dbraw/zinc/51/99/34/556519934.db2.gz HPTCQNDFQRWWHU-UHFFFAOYSA-N 0 0 428.385 5.708 50 0 IKAARN O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1cccnc1 ZINC000003091958 556520022 /nfs/dbraw/zinc/52/00/22/556520022.db2.gz YZENESUZOSIEII-CYBMUJFWSA-N 0 0 447.071 5.292 50 0 IKAARN S=c1oc(-c2ccc(Cl)cc2Cl)nn1CN(c1ccccc1)c1ccccc1 ZINC000003095158 556520482 /nfs/dbraw/zinc/52/04/82/556520482.db2.gz GQQXWGYBLBBOQE-UHFFFAOYSA-N 0 0 428.344 6.975 50 0 IKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000013568062 556520710 /nfs/dbraw/zinc/52/07/10/556520710.db2.gz QJJAQPDQPNECSE-UHFFFAOYSA-N 0 0 437.883 5.348 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3ccco3)sc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000013569518 556521470 /nfs/dbraw/zinc/52/14/70/556521470.db2.gz KVLZJRCNYLXZOG-UHFFFAOYSA-N 0 0 437.908 5.870 50 0 IKAARN O=C(Nc1nnc(/C=C/c2ccccc2Cl)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000013570688 556521896 /nfs/dbraw/zinc/52/18/96/556521896.db2.gz IVPIODIXZIHXCR-VMPITWQZSA-N 0 0 425.728 6.313 50 0 IKAARN O=C(Nc1cccc(N(CC2CC2)C(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000072300880 556523942 /nfs/dbraw/zinc/52/39/42/556523942.db2.gz WUGIAPUUEBVHJX-UHFFFAOYSA-N 0 0 439.342 6.303 50 0 IKAARN O=C(Nc1cccc(N(CC2CC2)C(=O)c2cc(F)ccc2F)c1)c1cc(F)ccc1F ZINC000072300877 556523952 /nfs/dbraw/zinc/52/39/52/556523952.db2.gz HGCKKWPCJWUVAM-UHFFFAOYSA-N 0 0 442.412 5.552 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000013574214 556524631 /nfs/dbraw/zinc/52/46/31/556524631.db2.gz PUHRVYLSWRXORZ-PHIMTYICSA-N 0 0 442.894 5.533 50 0 IKAARN CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C)cc2)cc1 ZINC000015412328 556524904 /nfs/dbraw/zinc/52/49/04/556524904.db2.gz GHNUJSYBMIHPOW-AREMUKBSSA-N 0 0 428.532 5.132 50 0 IKAARN Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@H](c3ccc(C(C)C)cc3)C2=O)c1C ZINC000015412502 556525132 /nfs/dbraw/zinc/52/51/32/556525132.db2.gz YLDLORDMOIHMKR-AREMUKBSSA-N 0 0 430.523 5.687 50 0 IKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000015412477 556525143 /nfs/dbraw/zinc/52/51/43/556525143.db2.gz XUQMYZBMXKTZAA-WFTVZMDTSA-N 0 0 444.962 5.809 50 0 IKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)c(C)c1 ZINC000015412872 556525695 /nfs/dbraw/zinc/52/56/95/556525695.db2.gz NTQQJQGKHYHDMR-SIHJWBFKSA-N 0 0 438.571 5.772 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015413079 556526026 /nfs/dbraw/zinc/52/60/26/556526026.db2.gz XRVSENZFNOGMKS-MHZLTWQESA-N 0 0 426.560 5.856 50 0 IKAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015413229 556526070 /nfs/dbraw/zinc/52/60/70/556526070.db2.gz SJRBNLKNBWXZME-MHZLTWQESA-N 0 0 442.559 5.638 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015413312 556526118 /nfs/dbraw/zinc/52/61/18/556526118.db2.gz OUQZTNPTAASPMI-VWLOTQADSA-N 0 0 432.951 5.893 50 0 IKAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(Oc2ccccc2)cc1 ZINC000013576611 556526324 /nfs/dbraw/zinc/52/63/24/556526324.db2.gz PVKMYTXDLVBSOA-UHFFFAOYSA-N 0 0 446.816 5.124 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000015413529 556526348 /nfs/dbraw/zinc/52/63/48/556526348.db2.gz BRDPRBXNULLIIG-MUUNZHRXSA-N 0 0 440.587 6.165 50 0 IKAARN Cc1cccc(C)c1Nc1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ncccn21 ZINC000015414535 556526840 /nfs/dbraw/zinc/52/68/40/556526840.db2.gz RHOAFIGLTKKDGV-UHFFFAOYSA-N 0 0 442.607 7.057 50 0 IKAARN CCOC(=O)c1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(Cl)cn32)cc1 ZINC000015414399 556526894 /nfs/dbraw/zinc/52/68/94/556526894.db2.gz RSASIJNSUPTHCI-UHFFFAOYSA-N 0 0 437.883 5.289 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000004426983 556527095 /nfs/dbraw/zinc/52/70/95/556527095.db2.gz JVRPBQRHDRDODB-VWLOTQADSA-N 0 0 442.544 5.171 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000004426982 556527124 /nfs/dbraw/zinc/52/71/24/556527124.db2.gz JVRPBQRHDRDODB-RUZDIDTESA-N 0 0 442.544 5.171 50 0 IKAARN Cc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013591747 556529779 /nfs/dbraw/zinc/52/97/79/556529779.db2.gz IGLAXMPPOQFMPU-FYYLOGMGSA-N 0 0 443.761 7.198 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900641 556529890 /nfs/dbraw/zinc/52/98/90/556529890.db2.gz VDBSCKGRROJIDZ-UHFFFAOYSA-N 0 0 443.482 5.525 50 0 IKAARN COc1ccc(-c2cnoc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1OC ZINC000013591940 556530043 /nfs/dbraw/zinc/53/00/43/556530043.db2.gz UPODSGBSDORUHI-UHFFFAOYSA-N 0 0 437.879 5.964 50 0 IKAARN Cc1nc(NC(=O)c2cccnc2Sc2ccccc2)sc1-c1nccn1C(F)F ZINC000032899769 556531262 /nfs/dbraw/zinc/53/12/62/556531262.db2.gz MBSVLANLFNWCDL-UHFFFAOYSA-N 0 0 443.504 5.509 50 0 IKAARN Cc1c(C)n(Cc2ccco2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000013593623 556531638 /nfs/dbraw/zinc/53/16/38/556531638.db2.gz ZDYTUHYGOPAUIE-UHFFFAOYSA-N 0 0 446.561 5.239 50 0 IKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000013596863 556532386 /nfs/dbraw/zinc/53/23/86/556532386.db2.gz DXEFUKFKUMSOOP-FOIQADDNSA-N 0 0 433.371 5.339 50 0 IKAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000032901469 556535051 /nfs/dbraw/zinc/53/50/51/556535051.db2.gz CEIDNOOLDNVGRC-UHFFFAOYSA-N 0 0 448.375 5.249 50 0 IKAARN CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3cccc(C)c3)c2)cc1 ZINC000013616252 556535264 /nfs/dbraw/zinc/53/52/64/556535264.db2.gz SFHSUKCSJKITHU-XLVZBRSZSA-N 0 0 427.544 7.055 50 0 IKAARN Cc1nc2cc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)ccc2o1 ZINC000015567574 556535267 /nfs/dbraw/zinc/53/52/67/556535267.db2.gz IHKQVVDEFLXFQJ-FQEVSTJZSA-N 0 0 433.895 5.290 50 0 IKAARN O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616569 556535526 /nfs/dbraw/zinc/53/55/26/556535526.db2.gz YYJXUZHHFIPZEH-LAUBAEHRSA-N 0 0 439.334 5.263 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000013616635 556535545 /nfs/dbraw/zinc/53/55/45/556535545.db2.gz ZLALZZBXLIGHRE-VGOFRKELSA-N 0 0 426.925 5.661 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1OC ZINC000013616631 556535591 /nfs/dbraw/zinc/53/55/91/556535591.db2.gz ZLALZZBXLIGHRE-HTAPYJJXSA-N 0 0 426.925 5.661 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616442 556535594 /nfs/dbraw/zinc/53/55/94/556535594.db2.gz DBRDMRYRNIAUTP-URXFXBBRSA-N 0 0 437.326 6.054 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616466 556535604 /nfs/dbraw/zinc/53/56/04/556535604.db2.gz FZRVRLNSLVYLIC-ISKFKSNPSA-N 0 0 439.342 6.634 50 0 IKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616448 556535618 /nfs/dbraw/zinc/53/56/18/556535618.db2.gz DBRDMRYRNIAUTP-ZJSXRUAMSA-N 0 0 437.326 6.054 50 0 IKAARN C[C@]1(c2ccc(Br)cc2)Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616559 556535626 /nfs/dbraw/zinc/53/56/26/556535626.db2.gz SZRPHRMARURVQT-GHTZIAJQSA-N 0 0 425.351 5.927 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2C)cc1OC ZINC000013618626 556535916 /nfs/dbraw/zinc/53/59/16/556535916.db2.gz JUZJZUIIXAZORD-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616701 556535931 /nfs/dbraw/zinc/53/59/31/556535931.db2.gz QKMQPWRNLSJQFC-WIYYLYMNSA-N 0 0 441.350 5.762 50 0 IKAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1Cl ZINC000013623795 556536022 /nfs/dbraw/zinc/53/60/22/556536022.db2.gz RNGGXKNIYBUWIT-MLGOLLRUSA-N 0 0 440.809 5.051 50 0 IKAARN Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013618890 556536053 /nfs/dbraw/zinc/53/60/53/556536053.db2.gz NQRWSTNTXOWTLN-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013619150 556536098 /nfs/dbraw/zinc/53/60/98/556536098.db2.gz LQJFIUWHNSEFRA-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000011088103 556537379 /nfs/dbraw/zinc/53/73/79/556537379.db2.gz COYXKENZRWYIDL-KRWDZBQOSA-N 0 0 446.938 5.835 50 0 IKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000015607384 556537759 /nfs/dbraw/zinc/53/77/59/556537759.db2.gz UWSHZFVMMHNVQN-UHFFFAOYSA-N 0 0 443.528 5.696 50 0 IKAARN O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000004571602 556537764 /nfs/dbraw/zinc/53/77/64/556537764.db2.gz OVVOYVATOVUZNI-UHFFFAOYSA-N 0 0 428.598 5.064 50 0 IKAARN CCCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628829 556538272 /nfs/dbraw/zinc/53/82/72/556538272.db2.gz TUPLCNJSVGBIEE-UHFFFAOYSA-N 0 0 425.598 5.630 50 0 IKAARN O=C(Nc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3)c1ccccc1F ZINC000013628464 556538300 /nfs/dbraw/zinc/53/83/00/556538300.db2.gz BIOFLGRRWLZTCH-UHFFFAOYSA-N 0 0 439.442 6.086 50 0 IKAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631031 556539132 /nfs/dbraw/zinc/53/91/32/556539132.db2.gz IGPJSVIATVPKGQ-FQEVSTJZSA-N 0 0 430.548 5.789 50 0 IKAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631205 556539181 /nfs/dbraw/zinc/53/91/81/556539181.db2.gz NITUANUIWFIDBO-FQEVSTJZSA-N 0 0 444.575 5.961 50 0 IKAARN Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000015659429 556541207 /nfs/dbraw/zinc/54/12/07/556541207.db2.gz PHEPNHJLUOMPKC-UHFFFAOYSA-N 0 0 442.565 6.045 50 0 IKAARN C[C@H](NC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1nc2ccccc2[nH]1 ZINC000013636904 556541265 /nfs/dbraw/zinc/54/12/65/556541265.db2.gz SVDMCDWFFOFNKY-KRWDZBQOSA-N 0 0 437.503 5.090 50 0 IKAARN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccco2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000015659068 556541278 /nfs/dbraw/zinc/54/12/78/556541278.db2.gz ZBDBJIKHVGTXCW-UKMPHMQWSA-N 0 0 442.515 5.734 50 0 IKAARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000015659066 556541350 /nfs/dbraw/zinc/54/13/50/556541350.db2.gz ZBDBJIKHVGTXCW-YZRDYZAQSA-N 0 0 442.515 5.734 50 0 IKAARN COCc1nn2c(ncc3c2C[C@H](/C=C/c2ccccc2)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638346 556541927 /nfs/dbraw/zinc/54/19/27/556541927.db2.gz WKSNDAZUMOFOJB-SGQUHAKNSA-N 0 0 439.515 5.010 50 0 IKAARN COCc1nn2c(ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638343 556541973 /nfs/dbraw/zinc/54/19/73/556541973.db2.gz WKSNDAZUMOFOJB-CSHXORCISA-N 0 0 439.515 5.010 50 0 IKAARN Cc1onc(C(=O)Nc2cccc(Cl)c2Cl)c1COc1cccc(C(F)(F)F)c1 ZINC000013640934 556542154 /nfs/dbraw/zinc/54/21/54/556542154.db2.gz IDZZFKFQIAJHOI-UHFFFAOYSA-N 0 0 445.224 6.140 50 0 IKAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000015671008 556542330 /nfs/dbraw/zinc/54/23/30/556542330.db2.gz UXFSWPNIAVMKDM-GOSISDBHSA-N 0 0 440.425 5.294 50 0 IKAARN O=C(c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)N1CCC[C@H]1c1ccco1 ZINC000015671024 556542357 /nfs/dbraw/zinc/54/23/57/556542357.db2.gz VBHGVZPZVURZPH-AWEZNQCLSA-N 0 0 432.427 5.047 50 0 IKAARN CC[C@H](NC(=O)c1cc(C)nc2onc(-c3ccc4c(c3)OCO4)c21)c1ccc(C)cc1C ZINC000013641618 556542541 /nfs/dbraw/zinc/54/25/41/556542541.db2.gz LMEZQRGJHPOEIT-FQEVSTJZSA-N 0 0 443.503 5.425 50 0 IKAARN CC[C@@H](NC(=O)c1cc(C)nc2onc(-c3ccc4c(c3)OCO4)c21)c1ccc(C)cc1C ZINC000013641615 556542582 /nfs/dbraw/zinc/54/25/82/556542582.db2.gz LMEZQRGJHPOEIT-HXUWFJFHSA-N 0 0 443.503 5.425 50 0 IKAARN O=C([C@H]1CCCC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904471 556543946 /nfs/dbraw/zinc/54/39/46/556543946.db2.gz YKBICSCPQRCOBS-SFTDATJTSA-N 0 0 441.600 6.367 50 0 IKAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013647012 556544291 /nfs/dbraw/zinc/54/42/91/556544291.db2.gz HZTRWIVOBVSAIS-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2)cc1OCC ZINC000013648239 556544812 /nfs/dbraw/zinc/54/48/12/556544812.db2.gz HBBGICDLOANNNY-HAVVHWLPSA-N 0 0 444.531 5.202 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccccc3)c2)cc1Cl ZINC000015723919 556545628 /nfs/dbraw/zinc/54/56/28/556545628.db2.gz FUAUXGRQIVYHAM-UHFFFAOYSA-N 0 0 429.303 5.815 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724567 556545937 /nfs/dbraw/zinc/54/59/37/556545937.db2.gz NBWNJMCYYUXBMP-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000015724690 556545964 /nfs/dbraw/zinc/54/59/64/556545964.db2.gz ZLRQPOPXRDTZEQ-RUZDIDTESA-N 0 0 429.951 6.618 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000015724759 556545985 /nfs/dbraw/zinc/54/59/85/556545985.db2.gz FNQPTROETAFMLB-OVTYMREPSA-N 0 0 439.603 6.102 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724592 556546009 /nfs/dbraw/zinc/54/60/09/556546009.db2.gz SHZLYSMOPACOLX-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@@H](c3cccs3)C2)cc1 ZINC000013655686 556545989 /nfs/dbraw/zinc/54/59/89/556545989.db2.gz FDSBLRARTRFCST-JOCHJYFZSA-N 0 0 431.586 6.544 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000015724755 556546051 /nfs/dbraw/zinc/54/60/51/556546051.db2.gz DHCXGUGCSCKQLZ-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015724811 556546061 /nfs/dbraw/zinc/54/60/61/556546061.db2.gz RMLWAIREAZOUNW-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724595 556546085 /nfs/dbraw/zinc/54/60/85/556546085.db2.gz SHZLYSMOPACOLX-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000015724704 556546089 /nfs/dbraw/zinc/54/60/89/556546089.db2.gz GYTCTWPOYVUSME-SANMLTNESA-N 0 0 425.532 6.055 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015724900 556546242 /nfs/dbraw/zinc/54/62/42/556546242.db2.gz WFZCNSIWIKCPIB-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000015725011 556546254 /nfs/dbraw/zinc/54/62/54/556546254.db2.gz NJODKHYXDBSTOS-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000015724874 556546336 /nfs/dbraw/zinc/54/63/36/556546336.db2.gz HTMUEJVGAUEGJW-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015724823 556546355 /nfs/dbraw/zinc/54/63/55/556546355.db2.gz HAMRVQIHBJKOLI-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN COc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000015725190 556546517 /nfs/dbraw/zinc/54/65/17/556546517.db2.gz DYKSUUKAAVTNNY-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN Cc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725094 556546532 /nfs/dbraw/zinc/54/65/32/556546532.db2.gz CIEZLJKTVIIDPW-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000015725092 556546537 /nfs/dbraw/zinc/54/65/37/556546537.db2.gz VPNMIGOGSWFOJY-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN COc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725033 556546606 /nfs/dbraw/zinc/54/66/06/556546606.db2.gz XJOOEABCXDYZRW-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000013659058 556546698 /nfs/dbraw/zinc/54/66/98/556546698.db2.gz KRCIVRSCWDMSLF-HSZRJFAPSA-N 0 0 426.604 7.164 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000015725231 556546828 /nfs/dbraw/zinc/54/68/28/556546828.db2.gz FYDACHVCFWVQJK-VWLOTQADSA-N 0 0 429.951 6.618 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000015725249 556546835 /nfs/dbraw/zinc/54/68/35/556546835.db2.gz FPQHBHIADSOFPS-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(Cl)c1)[C@@H]3c1ccc(C)cc1 ZINC000015725433 556546837 /nfs/dbraw/zinc/54/68/37/556546837.db2.gz TWCWCMQXRIEHJW-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000015725349 556546844 /nfs/dbraw/zinc/54/68/44/556546844.db2.gz KIIXMNOWOLCLRH-SANMLTNESA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000015725333 556546857 /nfs/dbraw/zinc/54/68/57/556546857.db2.gz GNWLNOIOZDCWMI-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 ZINC000013661108 556546911 /nfs/dbraw/zinc/54/69/11/556546911.db2.gz YSRPBEYYKVTGPN-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000013660669 556546917 /nfs/dbraw/zinc/54/69/17/556546917.db2.gz UQHJYVGDWXRYLX-UHFFFAOYSA-N 0 0 446.934 5.736 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000072303135 556546950 /nfs/dbraw/zinc/54/69/50/556546950.db2.gz AFCSQFBZHYVEPM-GOSISDBHSA-N 0 0 445.675 5.575 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)c1 ZINC000013660480 556546993 /nfs/dbraw/zinc/54/69/93/556546993.db2.gz RKPIHDJCXJFFGQ-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(F)cc1F)[C@@H]3c1ccc(C)cc1 ZINC000015725552 556547117 /nfs/dbraw/zinc/54/71/17/556547117.db2.gz ACCSFAKSLJUUKZ-RUZDIDTESA-N 0 0 447.485 5.943 50 0 IKAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000032721721 556547273 /nfs/dbraw/zinc/54/72/73/556547273.db2.gz RLOZTFCOFNRVBP-UHFFFAOYSA-N 0 0 439.393 5.182 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000032722361 556547746 /nfs/dbraw/zinc/54/77/46/556547746.db2.gz APYSMRHNOISCIV-UHFFFAOYSA-N 0 0 440.503 5.492 50 0 IKAARN CCC[C@@]1(C)CCCN(C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000072303844 556547847 /nfs/dbraw/zinc/54/78/47/556547847.db2.gz WOIJTCTXPCTJSQ-UKEJNIAMSA-N 0 0 426.557 5.321 50 0 IKAARN O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(Cc2cccs2)CC1 ZINC000032722543 556547984 /nfs/dbraw/zinc/54/79/84/556547984.db2.gz VEXBLFDPTHJETR-UHFFFAOYSA-N 0 0 449.601 5.140 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)c1 ZINC000032724294 556548430 /nfs/dbraw/zinc/54/84/30/556548430.db2.gz UEYDIALFAGDPEY-UHFFFAOYSA-N 0 0 441.456 5.259 50 0 IKAARN CCc1nnc(-c2ccc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)cc2)o1 ZINC000072304687 556549158 /nfs/dbraw/zinc/54/91/58/556549158.db2.gz WKXXGLVPGIZYKP-UHFFFAOYSA-N 0 0 433.489 5.051 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000015768641 556549655 /nfs/dbraw/zinc/54/96/55/556549655.db2.gz VAXVIVKWIQXMNJ-UHFFFAOYSA-N 0 0 444.556 5.236 50 0 IKAARN O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004575888 556550213 /nfs/dbraw/zinc/55/02/13/556550213.db2.gz RSQGAEHNYWFBPY-UHFFFAOYSA-N 0 0 432.608 5.996 50 0 IKAARN Cc1ccc(N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)cc1 ZINC000015777008 556550489 /nfs/dbraw/zinc/55/04/89/556550489.db2.gz CWOMNIGXBBBJTN-HNNXBMFYSA-N 0 0 436.564 5.296 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996970 556550647 /nfs/dbraw/zinc/55/06/47/556550647.db2.gz KLBVICJXBFNINA-UHFFFAOYSA-N 0 0 446.913 5.652 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000032997035 556550849 /nfs/dbraw/zinc/55/08/49/556550849.db2.gz VJIQUYQAHBCRSQ-UHFFFAOYSA-N 0 0 426.545 5.539 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997026 556550874 /nfs/dbraw/zinc/55/08/74/556550874.db2.gz SGZBRTKOKHATKJ-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN COc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778735 556550931 /nfs/dbraw/zinc/55/09/31/556550931.db2.gz UNKUOOQKYFEUMP-HXUWFJFHSA-N 0 0 434.883 5.310 50 0 IKAARN CCOc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000015778690 556550933 /nfs/dbraw/zinc/55/09/33/556550933.db2.gz ZXYYAGSKYUELQV-NRFANRHFSA-N 0 0 448.910 5.700 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997196 556551146 /nfs/dbraw/zinc/55/11/46/556551146.db2.gz JSEYONVDGNOGIV-HXUWFJFHSA-N 0 0 426.929 5.138 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(C)c(C)c1 ZINC000032997324 556551443 /nfs/dbraw/zinc/55/14/43/556551443.db2.gz UPAFWOGSZFTKNJ-DEOSSOPVSA-N 0 0 448.592 5.738 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cccc(F)c1F ZINC000032997427 556551453 /nfs/dbraw/zinc/55/14/53/556551453.db2.gz BYEXHAFILDJCKU-NRFANRHFSA-N 0 0 442.491 5.009 50 0 IKAARN CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(Cl)cc1 ZINC000032997517 556551694 /nfs/dbraw/zinc/55/16/94/556551694.db2.gz GZNOQASYNRRPOG-HXUWFJFHSA-N 0 0 426.929 5.057 50 0 IKAARN CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@H]1c1ccc(Cl)cc1 ZINC000032997518 556551742 /nfs/dbraw/zinc/55/17/42/556551742.db2.gz GZNOQASYNRRPOG-FQEVSTJZSA-N 0 0 426.929 5.057 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(C)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997656 556551787 /nfs/dbraw/zinc/55/17/87/556551787.db2.gz SWMJKESRWCQZSX-XMMPIXPASA-N 0 0 448.592 5.800 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccccc1 ZINC000032997745 556551969 /nfs/dbraw/zinc/55/19/69/556551969.db2.gz JMZCTBIHLNONOA-QHCPKHFHSA-N 0 0 434.565 5.348 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cc(F)ccc1F)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998101 556552255 /nfs/dbraw/zinc/55/22/55/556552255.db2.gz MYKGLYPXXYLYET-IBGZPJMESA-N 0 0 448.882 5.026 50 0 IKAARN Cc1c(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998728 556552512 /nfs/dbraw/zinc/55/25/12/556552512.db2.gz UJEHJZPHKHBUPE-UHFFFAOYSA-N 0 0 447.542 5.338 50 0 IKAARN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1NC(=O)c1ccccc1C ZINC000032998382 556552552 /nfs/dbraw/zinc/55/25/52/556552552.db2.gz PCPMDUNKUDDILU-UHFFFAOYSA-N 0 0 433.895 5.643 50 0 IKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3N(C(=O)OC(C)(C)C)C[C@H]2C)c(Cl)c1 ZINC000072305358 556552976 /nfs/dbraw/zinc/55/29/76/556552976.db2.gz STWNFRWTXKCJDM-QGZVFWFLSA-N 0 0 443.975 5.546 50 0 IKAARN Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1/C=C1\SC(=N)NC1=O ZINC000015800380 556553052 /nfs/dbraw/zinc/55/30/52/556553052.db2.gz GLKJIXFUUCUHTK-SXGWCWSVSA-N 0 0 437.348 5.207 50 0 IKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000033048665 556553665 /nfs/dbraw/zinc/55/36/65/556553665.db2.gz OVUPKQWNTKGVHZ-IBGZPJMESA-N 0 0 441.384 5.414 50 0 IKAARN O=C(Nc1nccs1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 ZINC000015835354 556555274 /nfs/dbraw/zinc/55/52/74/556555274.db2.gz FZFIZYXHSBURKM-UHFFFAOYSA-N 0 0 436.587 5.629 50 0 IKAARN CN(C(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835522 556555287 /nfs/dbraw/zinc/55/52/87/556555287.db2.gz JGTVWWSXKVTPOE-HXUWFJFHSA-N 0 0 425.351 5.854 50 0 IKAARN O=C(Cc1cccs1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033115679 556555762 /nfs/dbraw/zinc/55/57/62/556555762.db2.gz LJCAYEGLTCDPCS-VWLOTQADSA-N 0 0 444.625 6.153 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 ZINC000015838630 556556038 /nfs/dbraw/zinc/55/60/38/556556038.db2.gz QZEYWEBRXVEUDG-UHFFFAOYSA-N 0 0 442.309 5.334 50 0 IKAARN CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 ZINC000072305883 556556391 /nfs/dbraw/zinc/55/63/91/556556391.db2.gz WYTRNTVBIAMNLW-LJQANCHMSA-N 0 0 443.469 6.853 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000032905850 556556636 /nfs/dbraw/zinc/55/66/36/556556636.db2.gz UIEUADIKSKVLQI-QGZVFWFLSA-N 0 0 429.545 5.828 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)Nc2nnc(-c3ccccc3)s2)C1 ZINC000072305828 556556676 /nfs/dbraw/zinc/55/66/76/556556676.db2.gz IWAYGRYDTWKRPZ-GOSISDBHSA-N 0 0 446.580 5.547 50 0 IKAARN COc1cc(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc(OC)c1OC ZINC000013681486 556556738 /nfs/dbraw/zinc/55/67/38/556556738.db2.gz RYOHDGROYXBPAG-CYBMUJFWSA-N 0 0 438.911 5.743 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3sc(C)nc3C)o2)c(C)n1Cc1cccs1 ZINC000032905930 556556971 /nfs/dbraw/zinc/55/69/71/556556971.db2.gz QAKYAZOYRNUZQK-UHFFFAOYSA-N 0 0 444.607 5.313 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc(OC)c1 ZINC000033257998 556557436 /nfs/dbraw/zinc/55/74/36/556557436.db2.gz HKMKEBJVTZGUKA-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN CCOc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000033266240 556557689 /nfs/dbraw/zinc/55/76/89/556557689.db2.gz PNFMGGWLQQIHIB-NRFANRHFSA-N 0 0 448.910 5.700 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000072306565 556557867 /nfs/dbraw/zinc/55/78/67/556557867.db2.gz XTFOQEHSGNIJNP-QFIPXVFZSA-N 0 0 447.608 5.443 50 0 IKAARN Cc1c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cnn1-c1ccccc1C ZINC000072306550 556557881 /nfs/dbraw/zinc/55/78/81/556557881.db2.gz PLTIAKKRTYMTRV-XMMPIXPASA-N 0 0 427.552 5.397 50 0 IKAARN Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCCC2)o1 ZINC000015860413 556558540 /nfs/dbraw/zinc/55/85/40/556558540.db2.gz JZBXXPISENLAHG-GOSISDBHSA-N 0 0 445.357 5.362 50 0 IKAARN CCCS(=O)(=O)N1CCC(c2c(C)n(Cc3cccc(Cl)c3)c3ccccc32)CC1 ZINC000015863095 556558736 /nfs/dbraw/zinc/55/87/36/556558736.db2.gz HHNQSBMPEJZSFB-UHFFFAOYSA-N 0 0 445.028 5.571 50 0 IKAARN O=C(Nc1cccc2c1CCCC2)c1ccc(-n2nnnc2SCc2ccccc2)cc1 ZINC000015869235 556559945 /nfs/dbraw/zinc/55/99/45/556559945.db2.gz ATPKLSLHTIRSIV-UHFFFAOYSA-N 0 0 441.560 5.086 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000015869304 556560021 /nfs/dbraw/zinc/56/00/21/556560021.db2.gz VQFUQVCJTMKWAW-UHFFFAOYSA-N 0 0 426.810 5.979 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1 ZINC000015881928 556560508 /nfs/dbraw/zinc/56/05/08/556560508.db2.gz NAJJNVXNEBZXOE-UHFFFAOYSA-N 0 0 437.956 5.059 50 0 IKAARN CSc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC000072306909 556560841 /nfs/dbraw/zinc/56/08/41/556560841.db2.gz UTNMXVKDXZBLOX-UHFFFAOYSA-N 0 0 445.388 5.884 50 0 IKAARN O=C(Nc1ccc(Cl)cn1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC000072307099 556561330 /nfs/dbraw/zinc/56/13/30/556561330.db2.gz BQWUEHCFGUQGEU-UHFFFAOYSA-N 0 0 434.727 5.211 50 0 IKAARN C[C@H](c1ccccc1Cl)N(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000072307681 556562352 /nfs/dbraw/zinc/56/23/52/556562352.db2.gz UWEPVEKVGOFHDM-LLVKDONJSA-N 0 0 443.256 5.151 50 0 IKAARN CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)N(C)C2CCCCC2)nc1-c1ccccc1 ZINC000072307383 556562409 /nfs/dbraw/zinc/56/24/09/556562409.db2.gz OMFXVXZAGILXCP-FQEVSTJZSA-N 0 0 431.602 5.111 50 0 IKAARN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)C1CCCCC1 ZINC000015906472 556562871 /nfs/dbraw/zinc/56/28/71/556562871.db2.gz RJKNWBVFPYXRMK-UHFFFAOYSA-N 0 0 427.353 5.313 50 0 IKAARN CC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)CCC(C)C)CC1 ZINC000072307946 556563448 /nfs/dbraw/zinc/56/34/48/556563448.db2.gz UWLJICCKLFSWDV-UHFFFAOYSA-N 0 0 440.550 6.222 50 0 IKAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)c12 ZINC000032907967 556563855 /nfs/dbraw/zinc/56/38/55/556563855.db2.gz QZHWHRGSVMIGFP-UHFFFAOYSA-N 0 0 447.542 5.355 50 0 IKAARN Cc1noc(CSc2ccc(C(=O)Nc3ccc(Br)cc3Cl)cc2)n1 ZINC000032907903 556563940 /nfs/dbraw/zinc/56/39/40/556563940.db2.gz PSODGVWWVDBABC-UHFFFAOYSA-N 0 0 438.734 5.339 50 0 IKAARN C[C@H](NC(=O)CNC(c1cccs1)c1cccs1)c1ccc(Br)cc1 ZINC000072308149 556564039 /nfs/dbraw/zinc/56/40/39/556564039.db2.gz HSVWUCVZJVWMIG-ZDUSSCGKSA-N 0 0 435.412 5.129 50 0 IKAARN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000032908291 556564518 /nfs/dbraw/zinc/56/45/18/556564518.db2.gz URWARDWIINGREE-UHFFFAOYSA-N 0 0 439.924 6.124 50 0 IKAARN CC(C)[C@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000032908370 556564588 /nfs/dbraw/zinc/56/45/88/556564588.db2.gz CEPBYQGWJZKJNW-SANMLTNESA-N 0 0 447.579 5.001 50 0 IKAARN Cc1cccc(NC(=O)Nc2cccc3c2N(CC(=O)Nc2cccnc2Cl)CCC3)c1 ZINC000072308726 556566764 /nfs/dbraw/zinc/56/67/64/556566764.db2.gz XUIXVFGMMFXJCS-UHFFFAOYSA-N 0 0 449.942 5.079 50 0 IKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000015947005 556567805 /nfs/dbraw/zinc/56/78/05/556567805.db2.gz YDYBYAWKQWSGEH-JLHYYAGUSA-N 0 0 449.988 6.143 50 0 IKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1OC(=O)c1ccco1 ZINC000015947505 556568333 /nfs/dbraw/zinc/56/83/33/556568333.db2.gz DSHDFUDUMXINMD-ODXCJYRJSA-N 0 0 438.505 5.123 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)ccc1OCc1ccccc1 ZINC000015947765 556568652 /nfs/dbraw/zinc/56/86/52/556568652.db2.gz CAMGTXMMPQJEJN-UPCLLVRISA-N 0 0 448.588 6.280 50 0 IKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Br)c1OC ZINC000015947682 556568655 /nfs/dbraw/zinc/56/86/55/556568655.db2.gz QPICGJYSQHRQCU-XLFHBGCDSA-N 0 0 437.359 5.082 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[C@@H](C)C5)cc2)cc1 ZINC000015947834 556568686 /nfs/dbraw/zinc/56/86/86/556568686.db2.gz GCNAASKWBQDLSQ-QRQCRPRQSA-N 0 0 432.545 5.829 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000015964238 556569720 /nfs/dbraw/zinc/56/97/20/556569720.db2.gz GTLFOUBCMQFEGT-UHFFFAOYSA-N 0 0 427.907 5.022 50 0 IKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cccc(F)c1 ZINC000032960594 556570515 /nfs/dbraw/zinc/57/05/15/556570515.db2.gz MKQXHEQOSOQEDK-UHFFFAOYSA-N 0 0 435.502 6.202 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000034138821 556571128 /nfs/dbraw/zinc/57/11/28/556571128.db2.gz YAKMPOFBWBYOOA-YKSBVNFPSA-N 0 0 432.476 5.016 50 0 IKAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000015987163 556571132 /nfs/dbraw/zinc/57/11/32/556571132.db2.gz RJIZKIVEFVWZOO-OAHLLOKOSA-N 0 0 446.400 6.281 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1OCC ZINC000032960858 556571144 /nfs/dbraw/zinc/57/11/44/556571144.db2.gz XYXMGEQEAOLRBA-UHFFFAOYSA-N 0 0 443.547 5.408 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1OCC ZINC000032960678 556571552 /nfs/dbraw/zinc/57/15/52/556571552.db2.gz QMRVRSZKMCYDFW-UHFFFAOYSA-N 0 0 429.520 5.398 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000032961373 556571769 /nfs/dbraw/zinc/57/17/69/556571769.db2.gz QLNAZRAPSGXEJN-UHFFFAOYSA-N 0 0 431.517 5.508 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1OCC ZINC000032960969 556571832 /nfs/dbraw/zinc/57/18/32/556571832.db2.gz BAGZZBLCLCJGIG-UHFFFAOYSA-N 0 0 443.547 5.706 50 0 IKAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000015999218 556572387 /nfs/dbraw/zinc/57/23/87/556572387.db2.gz XAAMDARJJXKHEV-CQSZACIVSA-N 0 0 429.995 5.334 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000016001671 556572844 /nfs/dbraw/zinc/57/28/44/556572844.db2.gz JDZKHMFWSIVDHP-CQSZACIVSA-N 0 0 430.357 5.741 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000016007552 556573355 /nfs/dbraw/zinc/57/33/55/556573355.db2.gz ZJHYWCDBMLSWBM-MLGOLLRUSA-N 0 0 439.965 5.310 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1 ZINC000000978908 556573838 /nfs/dbraw/zinc/57/38/38/556573838.db2.gz LNXPDYXJKVLHMH-VWLOTQADSA-N 0 0 441.531 5.261 50 0 IKAARN O=C(Nc1ccccc1O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3O)cc2)cc1 ZINC000001225242 556574390 /nfs/dbraw/zinc/57/43/90/556574390.db2.gz WZRLVAKMFOGBJW-UHFFFAOYSA-N 0 0 440.455 5.395 50 0 IKAARN C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)cc2NC1=O ZINC000016014116 556574465 /nfs/dbraw/zinc/57/44/65/556574465.db2.gz MYMRQEGWITTZGS-AWEZNQCLSA-N 0 0 445.569 5.572 50 0 IKAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001233723 556574819 /nfs/dbraw/zinc/57/48/19/556574819.db2.gz SNUNBNUHYOFGIT-CVEARBPZSA-N 0 0 438.738 5.789 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000022135474 556577919 /nfs/dbraw/zinc/57/79/19/556577919.db2.gz YWLKCOZOAUGENJ-UHFFFAOYSA-N 0 0 446.503 5.867 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000016039417 556577973 /nfs/dbraw/zinc/57/79/73/556577973.db2.gz JDQHBPWQKKQQIU-SCLBCKFNSA-N 0 0 448.589 5.029 50 0 IKAARN COc1cc2c(cc1C(c1ccccc1)(c1ccccc1)[C@@H]1C=CC=CC1)NC(C)(C)C=C2C ZINC000003880458 556579039 /nfs/dbraw/zinc/57/90/39/556579039.db2.gz BINAYCQJLSYSRF-AREMUKBSSA-N 0 0 447.622 7.769 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022938312 556580841 /nfs/dbraw/zinc/58/08/41/556580841.db2.gz YNAYZMYUMOLCKV-SANMLTNESA-N 0 0 439.559 5.330 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000034712061 556581208 /nfs/dbraw/zinc/58/12/08/556581208.db2.gz QBFUEVKETPEFLJ-UHFFFAOYSA-N 0 0 435.376 6.178 50 0 IKAARN O=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000016051134 556581514 /nfs/dbraw/zinc/58/15/14/556581514.db2.gz UOGXOQFRUPXYLJ-UHFFFAOYSA-N 0 0 429.501 5.464 50 0 IKAARN O=C(c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1)N1CCCC1 ZINC000034714476 556581551 /nfs/dbraw/zinc/58/15/51/556581551.db2.gz DQVCAYJJBFHAJV-UHFFFAOYSA-N 0 0 432.467 5.644 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)N(C)c4ccccc4)cs3)c(F)c2)c1 ZINC000034723057 556581644 /nfs/dbraw/zinc/58/16/44/556581644.db2.gz OYMHVSKCJDGPQI-UHFFFAOYSA-N 0 0 448.519 5.813 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1N1CCCN([C@@H](C)c2ccccc2)C1=O)c1ccccc1 ZINC000034735130 556581654 /nfs/dbraw/zinc/58/16/54/556581654.db2.gz DPPUCHRMZKSSST-URXFXBBRSA-N 0 0 441.575 6.212 50 0 IKAARN C[C@H](c1ccccc1)N1CCCN(c2ccccc2NC(=O)c2c(F)cccc2F)C1=O ZINC000034735145 556581661 /nfs/dbraw/zinc/58/16/61/556581661.db2.gz QSYFYBBXLIZJNM-QGZVFWFLSA-N 0 0 435.474 5.610 50 0 IKAARN O=C(c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1)N1CCSCC1 ZINC000034723070 556581703 /nfs/dbraw/zinc/58/17/03/556581703.db2.gz TWZOUMDYEATNEJ-UHFFFAOYSA-N 0 0 448.972 5.371 50 0 IKAARN CC(C)c1ccc(CN2CCCN(c3cccc(NC(=O)c4cccs4)c3)C2=O)cc1 ZINC000034735473 556581739 /nfs/dbraw/zinc/58/17/39/556581739.db2.gz SKLHDAMHYYSKBW-UHFFFAOYSA-N 0 0 433.577 5.956 50 0 IKAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000034745306 556582032 /nfs/dbraw/zinc/58/20/32/556582032.db2.gz YVMJNAXKVMSTOK-ZILOHOTNSA-N 0 0 436.621 6.430 50 0 IKAARN Cc1sc2nc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000032911142 556582199 /nfs/dbraw/zinc/58/21/99/556582199.db2.gz CGIZPYIIXIBJHK-UHFFFAOYSA-N 0 0 447.891 5.004 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3ccc(Cl)cc3)CC1)=N2 ZINC000034812721 556582917 /nfs/dbraw/zinc/58/29/17/556582917.db2.gz PXBKLTWFMCSAAG-UHFFFAOYSA-N 0 0 431.923 5.290 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3c(F)cccc3F)[C@H](C)C1)=N2 ZINC000034812794 556582920 /nfs/dbraw/zinc/58/29/20/556582920.db2.gz LQAXEFHISZFMBT-QGZVFWFLSA-N 0 0 447.485 5.304 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3cccc(F)c3)[C@H](C)C1)=N2 ZINC000034812776 556582951 /nfs/dbraw/zinc/58/29/51/556582951.db2.gz JKGIXOPYYYVPAQ-GOSISDBHSA-N 0 0 429.495 5.165 50 0 IKAARN O=C(c1cc(-c2ccccc2F)n2nc(-c3ccc(Cl)cc3)cc2n1)N1CCCCC1 ZINC000034833088 556583101 /nfs/dbraw/zinc/58/31/01/556583101.db2.gz QOILABCRRJQSKJ-UHFFFAOYSA-N 0 0 434.902 5.482 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000034896503 556586055 /nfs/dbraw/zinc/58/60/55/556586055.db2.gz NORJLKQFPRGHIQ-HRAATJIYSA-N 0 0 431.985 5.484 50 0 IKAARN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000060248479 556588579 /nfs/dbraw/zinc/58/85/79/556588579.db2.gz VOBAPIYWRRQYHX-DEOSSOPVSA-N 0 0 432.589 5.853 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccccc4)cc3n2)cc1 ZINC000016193185 556588983 /nfs/dbraw/zinc/58/89/83/556588983.db2.gz VEXASADUSPLQOJ-UHFFFAOYSA-N 0 0 434.927 5.434 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000016212637 556590903 /nfs/dbraw/zinc/59/09/03/556590903.db2.gz SHNXGOGBOCPMPY-UHFFFAOYSA-N 0 0 437.890 5.660 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000016212501 556590962 /nfs/dbraw/zinc/59/09/62/556590962.db2.gz PYYSSIIETDGZIB-UHFFFAOYSA-N 0 0 432.487 5.706 50 0 IKAARN COc1ccc(-c2nnc(SCc3csc(Nc4ccccc4)n3)o2)cc1OC ZINC000016227602 556593235 /nfs/dbraw/zinc/59/32/35/556593235.db2.gz KLIACWCSKLMFOG-UHFFFAOYSA-N 0 0 426.523 5.246 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3cccc4ccccc43)n2)C2CC2)c1 ZINC000036115072 556593246 /nfs/dbraw/zinc/59/32/46/556593246.db2.gz HSLJVCXSOXVWNR-UHFFFAOYSA-N 0 0 444.556 5.689 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3cccc(C)c3)n2)CC(C)C)cc1 ZINC000036115321 556593369 /nfs/dbraw/zinc/59/33/69/556593369.db2.gz XYSGWWWNWYDXNP-UHFFFAOYSA-N 0 0 444.622 5.186 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000036164395 556594369 /nfs/dbraw/zinc/59/43/69/556594369.db2.gz WZKSKJLYUBHFNW-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Cl)cc1 ZINC000016262751 556595182 /nfs/dbraw/zinc/59/51/82/556595182.db2.gz VKPLTQFOOHUVPY-LJQANCHMSA-N 0 0 444.025 5.462 50 0 IKAARN O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000036246257 556595275 /nfs/dbraw/zinc/59/52/75/556595275.db2.gz NQGVCPJUYQNWDE-UHFFFAOYSA-N 0 0 438.293 5.123 50 0 IKAARN O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000036246389 556595297 /nfs/dbraw/zinc/59/52/97/556595297.db2.gz TYWIDMHMIJLBLP-UHFFFAOYSA-N 0 0 436.758 5.498 50 0 IKAARN Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016265528 556595450 /nfs/dbraw/zinc/59/54/50/556595450.db2.gz RBLNHVSZQHHCSI-UHFFFAOYSA-N 0 0 447.947 5.553 50 0 IKAARN O=C(OC(c1ccccc1)c1ccccc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000016267585 556595812 /nfs/dbraw/zinc/59/58/12/556595812.db2.gz NEMLZQOZDWOTLD-ZEQRLZLVSA-N 0 0 437.495 5.089 50 0 IKAARN Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1NC(=O)c1ccco1 ZINC000016282702 556596771 /nfs/dbraw/zinc/59/67/71/556596771.db2.gz KBXKORIZEMTWGR-UHFFFAOYSA-N 0 0 432.520 5.906 50 0 IKAARN CC(C)c1cc(Oc2ccccc2Cl)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349479 556596967 /nfs/dbraw/zinc/59/69/67/556596967.db2.gz JDTADJBLHCIOIY-UHFFFAOYSA-N 0 0 438.902 7.357 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1Br)O2 ZINC000036372524 556597562 /nfs/dbraw/zinc/59/75/62/556597562.db2.gz UDAWBTGUIFEASQ-RBBKRZOGSA-N 0 0 439.740 6.345 50 0 IKAARN CC(=O)c1c(C)c(C(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)sc1Nc1ccccc1 ZINC000036649125 556599626 /nfs/dbraw/zinc/59/96/26/556599626.db2.gz OGJSUCCOBVMTFP-UHFFFAOYSA-N 0 0 445.544 5.032 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)cc1C ZINC000016312540 556599771 /nfs/dbraw/zinc/59/97/71/556599771.db2.gz KIEGSGRHYDLXDA-UHFFFAOYSA-N 0 0 440.590 5.225 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000016322622 556600627 /nfs/dbraw/zinc/60/06/27/556600627.db2.gz JBPVHDDDAAZDML-UHFFFAOYSA-N 0 0 436.895 5.953 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1OC ZINC000016323129 556600639 /nfs/dbraw/zinc/60/06/39/556600639.db2.gz AXADRFYGKBAAPM-UHFFFAOYSA-N 0 0 430.504 6.062 50 0 IKAARN CCc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)s1 ZINC000016328694 556600804 /nfs/dbraw/zinc/60/08/04/556600804.db2.gz NZWURHFDRNXGFG-AWEZNQCLSA-N 0 0 426.567 5.166 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1Cl ZINC000016347159 556601605 /nfs/dbraw/zinc/60/16/05/556601605.db2.gz GVOWAMXAIRRVAU-UHFFFAOYSA-N 0 0 427.353 5.074 50 0 IKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000016347637 556601855 /nfs/dbraw/zinc/60/18/55/556601855.db2.gz MPJLPRHHIKIAKA-UHFFFAOYSA-N 0 0 428.944 7.331 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983927 556602874 /nfs/dbraw/zinc/60/28/74/556602874.db2.gz XEVZNSZCTCEQEB-NHDPSOOVSA-N 0 0 439.298 5.295 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C)C(=O)N(C)Cc3ccccc3)c2cc1C ZINC000037397554 556602879 /nfs/dbraw/zinc/60/28/79/556602879.db2.gz BGZRDJUIXOLFSE-FQEVSTJZSA-N 0 0 429.539 5.603 50 0 IKAARN CCC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037397232 556602974 /nfs/dbraw/zinc/60/29/74/556602974.db2.gz UURDOWSAWCANKS-HSZRJFAPSA-N 0 0 433.527 5.634 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)n2c(Cc3ccc(F)cc3)nc3cc(C)c(C)cc32)cc1 ZINC000037397372 556602983 /nfs/dbraw/zinc/60/29/83/556602983.db2.gz MEBVOZHQUULWRK-SFHVURJKSA-N 0 0 431.511 5.591 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)cc1 ZINC000032983637 556603579 /nfs/dbraw/zinc/60/35/79/556603579.db2.gz QZLVSISUOCQURE-YDZHTSKRSA-N 0 0 448.906 5.041 50 0 IKAARN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)c1ccc(Br)cc1 ZINC000016381856 556603837 /nfs/dbraw/zinc/60/38/37/556603837.db2.gz HDCSXMXYYVYPMK-UHFFFAOYSA-N 0 0 433.371 5.275 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000032984674 556603835 /nfs/dbraw/zinc/60/38/35/556603835.db2.gz LYTOOAQXPPHIPG-UHFFFAOYSA-N 0 0 433.577 6.007 50 0 IKAARN CCN1CCN(c2c(Cl)cccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000016383801 556604035 /nfs/dbraw/zinc/60/40/35/556604035.db2.gz XKZUYTUOOGYCMS-UHFFFAOYSA-N 0 0 433.983 5.253 50 0 IKAARN NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 ZINC000016385977 556604228 /nfs/dbraw/zinc/60/42/28/556604228.db2.gz LRSOSCJHFZXENN-UHFFFAOYSA-N 0 0 435.332 5.545 50 0 IKAARN COc1cccc(Oc2cc(C(F)(F)F)nc(SCc3ccc(F)c(F)c3)n2)c1 ZINC000037509562 556604486 /nfs/dbraw/zinc/60/44/86/556604486.db2.gz HOXNCHPYSZKYOB-UHFFFAOYSA-N 0 0 428.382 5.867 50 0 IKAARN Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)ccc12 ZINC000016392663 556604762 /nfs/dbraw/zinc/60/47/62/556604762.db2.gz MJMWNOHVLDEZDT-UHFFFAOYSA-N 0 0 440.886 6.222 50 0 IKAARN Cc1c(NC(=O)c2cc3cc(Br)ccc3o2)cccc1C(=O)Nc1ccccc1 ZINC000060274274 556605088 /nfs/dbraw/zinc/60/50/88/556605088.db2.gz IVTFHOIQTQEAKW-UHFFFAOYSA-N 0 0 449.304 6.008 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000016393893 556605064 /nfs/dbraw/zinc/60/50/64/556605064.db2.gz DBXANWLKNLZMSK-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN COc1cccc(-c2cc(OCC(=O)Nc3cccc(SC)c3)c3ccccc3n2)c1 ZINC000032985633 556605250 /nfs/dbraw/zinc/60/52/50/556605250.db2.gz QAYLDLJEUCMLSP-UHFFFAOYSA-N 0 0 430.529 5.650 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc21 ZINC000032986367 556605735 /nfs/dbraw/zinc/60/57/35/556605735.db2.gz HYGOFVKWSFUOJO-UHFFFAOYSA-N 0 0 432.907 6.215 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(OC)cc3OC)cc21 ZINC000032986365 556605825 /nfs/dbraw/zinc/60/58/25/556605825.db2.gz CRYGFCAVEMUICY-UHFFFAOYSA-N 0 0 428.488 5.570 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(C)cc3C)cc21 ZINC000032986496 556606070 /nfs/dbraw/zinc/60/60/70/556606070.db2.gz FFFHOIUYUODARI-UHFFFAOYSA-N 0 0 426.516 6.178 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(CC)cc3)cc21 ZINC000032986611 556606207 /nfs/dbraw/zinc/60/62/07/556606207.db2.gz YXAQWQMDLKJLGL-UHFFFAOYSA-N 0 0 430.935 6.769 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3cccc(OC)c3)cc21 ZINC000032986563 556606237 /nfs/dbraw/zinc/60/62/37/556606237.db2.gz MIFSVYOJVGYZJW-UHFFFAOYSA-N 0 0 442.515 5.248 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(OC)cc3)cc21 ZINC000032986604 556606241 /nfs/dbraw/zinc/60/62/41/556606241.db2.gz ZCNUKHHCPXSTER-UHFFFAOYSA-N 0 0 432.907 6.215 50 0 IKAARN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@@H]12 ZINC000016426168 556606500 /nfs/dbraw/zinc/60/65/00/556606500.db2.gz PXTKIPXFRAYYAB-OXFYSEKESA-N 0 0 442.485 5.456 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3ccc(C)cc3)cc21 ZINC000032986625 556606516 /nfs/dbraw/zinc/60/65/16/556606516.db2.gz QOOFYFQRQIENHE-UHFFFAOYSA-N 0 0 430.935 6.192 50 0 IKAARN CSc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986959 556606739 /nfs/dbraw/zinc/60/67/39/556606739.db2.gz NILDVBPIKCEZNH-JOCHJYFZSA-N 0 0 445.009 5.420 50 0 IKAARN CSc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986960 556606747 /nfs/dbraw/zinc/60/67/47/556606747.db2.gz NILDVBPIKCEZNH-QFIPXVFZSA-N 0 0 445.009 5.420 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2)sc1NC(=O)Cc1cccs1 ZINC000016447628 556608002 /nfs/dbraw/zinc/60/80/02/556608002.db2.gz CGNXDJMFYXWFJK-UHFFFAOYSA-N 0 0 442.562 5.037 50 0 IKAARN FC(F)(F)c1cccc(C2(c3nnc(-c4cc(-c5ccccc5)[nH]n4)o3)CCOCC2)c1 ZINC000071889830 556608550 /nfs/dbraw/zinc/60/85/50/556608550.db2.gz NLUWIOZBQRUTMP-UHFFFAOYSA-N 0 0 440.425 5.242 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1Cl ZINC000032994316 556609503 /nfs/dbraw/zinc/60/95/03/556609503.db2.gz BPMKORBVQJMOKG-UHFFFAOYSA-N 0 0 431.897 5.109 50 0 IKAARN Fc1c(F)c(Oc2cc(Cl)ccc2Cl)c(F)c(F)c1/C=C/CN1CCOCC1 ZINC000016475499 556610447 /nfs/dbraw/zinc/61/04/47/556610447.db2.gz MIDXTKZWZCQVSG-OWOJBTEDSA-N 0 0 436.232 5.688 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1 ZINC000032995645 556610922 /nfs/dbraw/zinc/61/09/22/556610922.db2.gz GLIFLWVKWSDMJM-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1 ZINC000032995655 556610951 /nfs/dbraw/zinc/61/09/51/556610951.db2.gz WTKXEVORSCSKOZ-UHFFFAOYSA-N 0 0 440.522 6.080 50 0 IKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(C(C)C)cc4)cc3)nn2)c1 ZINC000032995632 556610990 /nfs/dbraw/zinc/61/09/90/556610990.db2.gz QMPVZXCUCBOTFK-UHFFFAOYSA-N 0 0 436.559 6.249 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000032995652 556611007 /nfs/dbraw/zinc/61/10/07/556611007.db2.gz FPSRCRARUNSZLM-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN CCCOc1ccc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)cc1 ZINC000016487903 556611826 /nfs/dbraw/zinc/61/18/26/556611826.db2.gz QTFHZMOQTBLZJF-ONEGZZNKSA-N 0 0 425.422 5.170 50 0 IKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000032996725 556612415 /nfs/dbraw/zinc/61/24/15/556612415.db2.gz WBDMZYKHCUENPJ-QHCPKHFHSA-N 0 0 448.544 5.336 50 0 IKAARN CC1(C)C[C@@H](NC(=O)CCC2CCCCC2)C[C@](C)(CNC(=O)CCC2CCCCC2)C1 ZINC000038193944 556612449 /nfs/dbraw/zinc/61/24/49/556612449.db2.gz ISCATKGXTNHYCZ-YWEHKCAJSA-N 0 0 446.720 6.525 50 0 IKAARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016492079 556612521 /nfs/dbraw/zinc/61/25/21/556612521.db2.gz LSPMNCUXNBIDAH-UHFFFAOYSA-N 0 0 425.340 6.579 50 0 IKAARN S=c1n(CN2CCC(c3ccccc3)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000016493521 556612714 /nfs/dbraw/zinc/61/27/14/556612714.db2.gz JPEWJYIHZACCIL-UHFFFAOYSA-N 0 0 426.589 5.907 50 0 IKAARN COc1ccc([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546900 556613679 /nfs/dbraw/zinc/61/36/79/556613679.db2.gz WZGNUYXDTPXDFE-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN COc1cccc([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546909 556613767 /nfs/dbraw/zinc/61/37/67/556613767.db2.gz ONRORRQQNJIMHK-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN FC(F)(F)c1nc(-c2cc(Cl)cc(Cl)c2)ncc1-c1nnnn1-c1ccccc1 ZINC000016523894 556613833 /nfs/dbraw/zinc/61/38/33/556613833.db2.gz LGMDWIUVOYQXDV-UHFFFAOYSA-N 0 0 437.212 5.112 50 0 IKAARN Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)n1 ZINC000038547402 556614027 /nfs/dbraw/zinc/61/40/27/556614027.db2.gz LCNPJHUIYZXNNF-QHCPKHFHSA-N 0 0 444.560 5.772 50 0 IKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546947 556614055 /nfs/dbraw/zinc/61/40/55/556614055.db2.gz URQBUHUDCRNFQU-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038550999 556614271 /nfs/dbraw/zinc/61/42/71/556614271.db2.gz LRQKFHQBOACSNQ-QHCPKHFHSA-N 0 0 431.536 6.353 50 0 IKAARN Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)n1 ZINC000038547409 556614283 /nfs/dbraw/zinc/61/42/83/556614283.db2.gz MELFJXAEQWTMHO-QHCPKHFHSA-N 0 0 444.560 5.772 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1cccnc1)CCCC2)c1ccco1 ZINC000038547405 556614317 /nfs/dbraw/zinc/61/43/17/556614317.db2.gz NYLQLSWELHECOL-QFIPXVFZSA-N 0 0 430.533 5.464 50 0 IKAARN CSc1ccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000038550577 556614326 /nfs/dbraw/zinc/61/43/26/556614326.db2.gz BDXILKVFYDAWKR-QHCPKHFHSA-N 0 0 445.613 6.627 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccccc1)CCCC2)c1ccco1 ZINC000038550601 556614374 /nfs/dbraw/zinc/61/43/74/556614374.db2.gz YNUPGFXJXGMWEQ-HSZRJFAPSA-N 0 0 429.545 6.069 50 0 IKAARN Cc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038550559 556614401 /nfs/dbraw/zinc/61/44/01/556614401.db2.gz DKFOITRIVUNTGY-JOCHJYFZSA-N 0 0 433.964 6.559 50 0 IKAARN Cc1ccnc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2)c1 ZINC000038551040 556614581 /nfs/dbraw/zinc/61/45/81/556614581.db2.gz MYAQVWMLHKGVST-XMMPIXPASA-N 0 0 443.572 6.377 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000016545507 556614635 /nfs/dbraw/zinc/61/46/35/556614635.db2.gz XVAJEDMGFIUGDX-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551025 556614657 /nfs/dbraw/zinc/61/46/57/556614657.db2.gz WHGNAFAWCYSPPK-DEOSSOPVSA-N 0 0 427.573 6.522 50 0 IKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551015 556614716 /nfs/dbraw/zinc/61/47/16/556614716.db2.gz MXMOHRMARIKQKW-QHCPKHFHSA-N 0 0 431.536 6.353 50 0 IKAARN CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 ZINC000038651727 556615049 /nfs/dbraw/zinc/61/50/49/556615049.db2.gz ATRUQSVPZYRMNA-UHFFFAOYSA-N 0 0 431.561 5.415 50 0 IKAARN CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c3occ(-c4ccccc4)c3c21 ZINC000038657363 556615362 /nfs/dbraw/zinc/61/53/62/556615362.db2.gz XUBSMCUXRROMJR-UHFFFAOYSA-N 0 0 444.328 7.317 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000033646973 556617446 /nfs/dbraw/zinc/61/74/46/556617446.db2.gz IYWNXLOMFGBTON-AREMUKBSSA-N 0 0 440.587 5.591 50 0 IKAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(Cc4ccco4)c(=N)c32)cc1 ZINC000100557525 556619699 /nfs/dbraw/zinc/61/96/99/556619699.db2.gz TVZKPSIKBLOQJQ-HSZRJFAPSA-N 0 0 435.483 5.452 50 0 aggregator IKAARN O=C(CN(Cc1ccco1)C(=O)C1CCCC1)N(Cc1cccs1)Cc1ccccc1 ZINC000033663261 556620102 /nfs/dbraw/zinc/62/01/02/556620102.db2.gz DDDKMVLVSAONOA-UHFFFAOYSA-N 0 0 436.577 5.089 50 0 IKAARN Cc1cccc([C@@H](CC(=O)NCC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033689075 556621252 /nfs/dbraw/zinc/62/12/52/556621252.db2.gz HWQZAJSLAUDDAE-AREMUKBSSA-N 0 0 442.578 6.431 50 0 IKAARN COc1ccccc1/C=C/CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000016672200 556622066 /nfs/dbraw/zinc/62/20/66/556622066.db2.gz HYCPQZQYKGCJMT-VBIRRTOMSA-N 0 0 449.978 6.027 50 0 IKAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1cccc(Cl)c1Cl ZINC000016677722 556622609 /nfs/dbraw/zinc/62/26/09/556622609.db2.gz HMGAGESVSHECHH-QFIPXVFZSA-N 0 0 438.362 5.499 50 0 IKAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000016677725 556622616 /nfs/dbraw/zinc/62/26/16/556622616.db2.gz MNMIHUZGSWFPOE-JOCHJYFZSA-N 0 0 438.362 5.499 50 0 IKAARN COc1ccc(Br)cc1CN1CCCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000016677760 556622898 /nfs/dbraw/zinc/62/28/98/556622898.db2.gz AZPFDHDHNHCSMK-JOCHJYFZSA-N 0 0 439.397 6.004 50 0 IKAARN COc1ccccc1[C@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@@H](C(C)C)C1 ZINC000005033395 556623182 /nfs/dbraw/zinc/62/31/82/556623182.db2.gz BDEBULATKWBYRH-CLJLJLNGSA-N 0 0 427.560 5.346 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)c(C)c1 ZINC000016678415 556623266 /nfs/dbraw/zinc/62/32/66/556623266.db2.gz CJSTVMBLQFBFGB-UHFFFAOYSA-N 0 0 431.515 5.275 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4F)cc3n2)c(C)c1 ZINC000016678416 556623278 /nfs/dbraw/zinc/62/32/78/556623278.db2.gz IPCCCZVAINSFLE-UHFFFAOYSA-N 0 0 431.515 5.275 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1F ZINC000005031929 556623472 /nfs/dbraw/zinc/62/34/72/556623472.db2.gz KHFBTGSGQORUSE-AHKZPQOWSA-N 0 0 425.588 6.036 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000033713022 556624238 /nfs/dbraw/zinc/62/42/38/556624238.db2.gz RWYZGOSJNMNCMW-AMGIVPHBSA-N 0 0 444.531 5.653 50 0 IKAARN Cc1ccc(Nc2nc(N)nc(CSc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000016684668 556625194 /nfs/dbraw/zinc/62/51/94/556625194.db2.gz HXSPIIUHGQSMEY-UHFFFAOYSA-N 0 0 425.867 5.470 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C ZINC000016685430 556625399 /nfs/dbraw/zinc/62/53/99/556625399.db2.gz XRXDQTLCSANPBH-MRXNPFEDSA-N 0 0 428.989 5.135 50 0 IKAARN C[C@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000016685379 556625492 /nfs/dbraw/zinc/62/54/92/556625492.db2.gz BSUSCKKKXZBAFT-MRDQGFSESA-N 0 0 440.572 5.550 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)c(C)c1 ZINC000032998823 556626411 /nfs/dbraw/zinc/62/64/11/556626411.db2.gz LURPWFSHXRCTEM-UHFFFAOYSA-N 0 0 445.519 5.392 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)c1 ZINC000032998822 556626451 /nfs/dbraw/zinc/62/64/51/556626451.db2.gz IHUWKPKCAHWGQH-UHFFFAOYSA-N 0 0 445.519 5.392 50 0 IKAARN Cc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(Cl)cc4)ccc3=O)cc2)c1 ZINC000032998945 556626760 /nfs/dbraw/zinc/62/67/60/556626760.db2.gz FOXUQAJQZVIPIV-UHFFFAOYSA-N 0 0 447.947 5.598 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(C)cc4C)cc3)n2)cc1 ZINC000032999004 556626982 /nfs/dbraw/zinc/62/69/82/556626982.db2.gz GPXJOHHDVDVOEJ-UHFFFAOYSA-N 0 0 441.556 5.561 50 0 IKAARN CCc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)c1 ZINC000032999029 556627312 /nfs/dbraw/zinc/62/73/12/556627312.db2.gz LAHYOFXHXMJSQK-UHFFFAOYSA-N 0 0 441.556 5.507 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000033725483 556627354 /nfs/dbraw/zinc/62/73/54/556627354.db2.gz NPVPPCXSDYYGHQ-FYJGNVAPSA-N 0 0 433.891 5.581 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000033725029 556627405 /nfs/dbraw/zinc/62/74/05/556627405.db2.gz YKIRTSOMFGSYKN-QFIPXVFZSA-N 0 0 434.580 6.184 50 0 IKAARN CCOc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016693424 556627922 /nfs/dbraw/zinc/62/79/22/556627922.db2.gz BMDXWQZLJBZYDC-NRFANRHFSA-N 0 0 433.895 5.308 50 0 IKAARN CCOc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016693421 556627980 /nfs/dbraw/zinc/62/79/80/556627980.db2.gz BMDXWQZLJBZYDC-OAQYLSRUSA-N 0 0 433.895 5.308 50 0 IKAARN CCCNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C)c1 ZINC000033735484 556628323 /nfs/dbraw/zinc/62/83/23/556628323.db2.gz NDQAFHQQFOBYKA-RUZDIDTESA-N 0 0 428.551 6.185 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)sc2c1CCCCCC2 ZINC000033735184 556628431 /nfs/dbraw/zinc/62/84/31/556628431.db2.gz CDUJGJPCYCSCMQ-SSZFMOIBSA-N 0 0 425.594 6.143 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)ccc2c1 ZINC000016695435 556628544 /nfs/dbraw/zinc/62/85/44/556628544.db2.gz ZUMLFESYQNGLQC-HJPURHCSSA-N 0 0 433.577 5.439 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000016695026 556628624 /nfs/dbraw/zinc/62/86/24/556628624.db2.gz VXRQHFOKAMPBHW-KRWDZBQOSA-N 0 0 444.482 5.419 50 0 IKAARN Cc1ccc(Cn2cc([C@H](CC(=O)NCC(C)C)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000033742439 556628651 /nfs/dbraw/zinc/62/86/51/556628651.db2.gz CKPFGKIPCCLIJI-AREMUKBSSA-N 0 0 442.578 6.431 50 0 IKAARN COc1ccc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(OC)c1OC ZINC000039479202 556629122 /nfs/dbraw/zinc/62/91/22/556629122.db2.gz DYIJWMHLSHPQJV-QGZVFWFLSA-N 0 0 431.536 5.211 50 0 IKAARN c1ccc2c(c1)cccc2Nc1ccc(-c2ccc(Nc3cccc4ccccc43)cc2)cc1 ZINC000016697801 556629133 /nfs/dbraw/zinc/62/91/33/556629133.db2.gz SZDXPEWZZGNIBB-UHFFFAOYSA-N 0 0 436.558 9.147 50 0 IKAARN CC(C)n1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cc2ccccc2o1 ZINC000039748319 556629833 /nfs/dbraw/zinc/62/98/33/556629833.db2.gz YVISTJNWSUKCLK-UHFFFAOYSA-N 0 0 428.464 5.281 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2F)cc1 ZINC000039944184 556630578 /nfs/dbraw/zinc/63/05/78/556630578.db2.gz GYYYAKLPCFPAHB-UNMCSNQZSA-N 0 0 441.275 5.970 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1 ZINC000016734290 556632827 /nfs/dbraw/zinc/63/28/27/556632827.db2.gz TZTOGFCIRKPVAN-UHFFFAOYSA-N 0 0 442.471 5.423 50 0 IKAARN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016736118 556633367 /nfs/dbraw/zinc/63/33/67/556633367.db2.gz RHQAAJHLXJDKIB-HSZRJFAPSA-N 0 0 429.903 5.543 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C3=O ZINC000016736160 556633371 /nfs/dbraw/zinc/63/33/71/556633371.db2.gz UDEXSOQYGAQRLQ-QHCPKHFHSA-N 0 0 429.903 5.543 50 0 IKAARN Brc1nsc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c12 ZINC000033778888 556634001 /nfs/dbraw/zinc/63/40/01/556634001.db2.gz FKJDROPEGXBKTR-UHFFFAOYSA-N 0 0 446.167 6.550 50 0 IKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 ZINC000016741800 556635471 /nfs/dbraw/zinc/63/54/71/556635471.db2.gz NXJRTEOOTDMLAT-JXMROGBWSA-N 0 0 435.574 6.267 50 0 IKAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 ZINC000016742086 556636056 /nfs/dbraw/zinc/63/60/56/556636056.db2.gz VUPBFAVRJCVLST-XMMPIXPASA-N 0 0 440.499 5.425 50 0 IKAARN Cc1ccccc1CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)s1 ZINC000016742502 556636375 /nfs/dbraw/zinc/63/63/75/556636375.db2.gz RBAPISDQYXUIDH-QGZVFWFLSA-N 0 0 441.622 5.977 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000016749746 556636874 /nfs/dbraw/zinc/63/68/74/556636874.db2.gz XPGSVKWSFQOKSM-RUZDIDTESA-N 0 0 439.511 5.370 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000016750381 556637142 /nfs/dbraw/zinc/63/71/42/556637142.db2.gz XTCWAGQQNFIFQF-RUZDIDTESA-N 0 0 439.511 5.152 50 0 IKAARN CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000016751007 556637385 /nfs/dbraw/zinc/63/73/85/556637385.db2.gz JTDXGCUSUDERQT-RDPSFJRHSA-N 0 0 447.531 5.086 50 0 IKAARN COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccccc1Cl ZINC000016751438 556637549 /nfs/dbraw/zinc/63/75/49/556637549.db2.gz ZKDSSUXGCWONAU-UHFFFAOYSA-N 0 0 441.251 5.296 50 0 IKAARN CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)cc1 ZINC000016753430 556638551 /nfs/dbraw/zinc/63/85/51/556638551.db2.gz AMNGLHWAXHDQAU-UHFFFAOYSA-N 0 0 439.512 5.355 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000016753980 556638715 /nfs/dbraw/zinc/63/87/15/556638715.db2.gz ZQBULXNUUXVOOD-UHFFFAOYSA-N 0 0 438.439 5.352 50 0 IKAARN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000016757512 556639265 /nfs/dbraw/zinc/63/92/65/556639265.db2.gz CORMOPHCFGFPIX-NRFANRHFSA-N 0 0 447.560 5.530 50 0 IKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cc(C)ccc3C)c2=S)cc1 ZINC000016769848 556640376 /nfs/dbraw/zinc/64/03/76/556640376.db2.gz QQZBUBJOCXWTHO-UHFFFAOYSA-N 0 0 428.561 5.634 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3cc(C)ccc3C)c(C)c12 ZINC000005151969 556642781 /nfs/dbraw/zinc/64/27/81/556642781.db2.gz IGYGKRMPYPFQMH-UHFFFAOYSA-N 0 0 426.564 5.842 50 0 IKAARN CC(C)(C)c1ccc(CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000016805112 556643409 /nfs/dbraw/zinc/64/34/09/556643409.db2.gz XJKGQNGOSIKGET-UHFFFAOYSA-N 0 0 425.022 7.602 50 0 IKAARN CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@@H](O)c1ccccc1 ZINC000011713341 556643534 /nfs/dbraw/zinc/64/35/34/556643534.db2.gz KEGLDSFGTKQDLR-LJQANCHMSA-N 0 0 431.989 5.697 50 0 IKAARN Cc1cccc(CN2C(=O)C[C@@H](c3ccc(C(F)(F)F)cc3)C(C(=O)OC(C)C)=C2C)c1 ZINC000037576797 556643785 /nfs/dbraw/zinc/64/37/85/556643785.db2.gz RSLQCUMOIMFNFL-NRFANRHFSA-N 0 0 445.481 5.756 50 0 IKAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)c1 ZINC000016806632 556644146 /nfs/dbraw/zinc/64/41/46/556644146.db2.gz CMSUUYGQQYRTQJ-SFHVURJKSA-N 0 0 448.588 5.190 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1ccc(F)cc1F ZINC000016840640 556645592 /nfs/dbraw/zinc/64/55/92/556645592.db2.gz HDBKZCAXUDZCNM-UHFFFAOYSA-N 0 0 446.482 5.559 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000016840653 556645867 /nfs/dbraw/zinc/64/58/67/556645867.db2.gz CFCOBOBAUOUJPL-UHFFFAOYSA-N 0 0 438.556 5.897 50 0 IKAARN C[C@H](NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)c1ccccc1 ZINC000037600552 556645965 /nfs/dbraw/zinc/64/59/65/556645965.db2.gz HCPGBESLBZBZDM-NRFANRHFSA-N 0 0 438.527 5.547 50 0 IKAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 ZINC000016841697 556646073 /nfs/dbraw/zinc/64/60/73/556646073.db2.gz NGWYXCLVPYJGSQ-UHFFFAOYSA-N 0 0 430.577 5.813 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1Cl ZINC000016841443 556646082 /nfs/dbraw/zinc/64/60/82/556646082.db2.gz CDELXLWDKQPZTA-UHFFFAOYSA-N 0 0 426.904 5.228 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 ZINC000016841456 556646093 /nfs/dbraw/zinc/64/60/93/556646093.db2.gz CQWHEMJMPGBRQL-UHFFFAOYSA-N 0 0 426.904 5.228 50 0 IKAARN CC(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1 ZINC000037600575 556646253 /nfs/dbraw/zinc/64/62/53/556646253.db2.gz MHFIKUUGGGGAST-UHFFFAOYSA-N 0 0 437.490 5.271 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC(C)C)c1 ZINC000037601425 556646414 /nfs/dbraw/zinc/64/64/14/556646414.db2.gz CADFOPIDHMYAGQ-UHFFFAOYSA-N 0 0 432.539 5.296 50 0 IKAARN CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)Nc3ccc(C)cc3)cc2[C@@H]1c1cccc(F)c1 ZINC000037602124 556646467 /nfs/dbraw/zinc/64/64/67/556646467.db2.gz VJJQBMQLHLILBY-QYBDOPJKSA-N 0 0 446.522 5.034 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c(C)c1 ZINC000016844925 556646633 /nfs/dbraw/zinc/64/66/33/556646633.db2.gz PZPYYAOCAKZOKG-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C)nc2c(-c3ccccc3)csc2c1=O ZINC000016845104 556646764 /nfs/dbraw/zinc/64/67/64/556646764.db2.gz IMWDSEYPPUBLPH-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2c(C)cccc2C)n(C)c3=O)cc1 ZINC000016846063 556646812 /nfs/dbraw/zinc/64/68/12/556646812.db2.gz RHHZQWXWAHGOSB-UHFFFAOYSA-N 0 0 449.601 5.318 50 0 IKAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2ccccc2C)n(C)c3=O)cc1 ZINC000016846051 556646817 /nfs/dbraw/zinc/64/68/17/556646817.db2.gz LVDPUAJTABNORL-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN CCOc1ccc(-c2csc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3N)n2)cc1 ZINC000038486796 556646923 /nfs/dbraw/zinc/64/69/23/556646923.db2.gz ARYUPXAUJQHCSZ-UHFFFAOYSA-N 0 0 431.443 5.058 50 0 IKAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(F)c3)n2)cc1 ZINC000016846591 556647467 /nfs/dbraw/zinc/64/74/67/556647467.db2.gz ZNBNVUSPOJKJDQ-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000016895438 556648146 /nfs/dbraw/zinc/64/81/46/556648146.db2.gz IJTYKXFPGLWESJ-CQSZACIVSA-N 0 0 448.573 5.436 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000016895439 556648201 /nfs/dbraw/zinc/64/82/01/556648201.db2.gz IJTYKXFPGLWESJ-AWEZNQCLSA-N 0 0 448.573 5.436 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)c1 ZINC000016902534 556648429 /nfs/dbraw/zinc/64/84/29/556648429.db2.gz FOUORYHPPZDWAS-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 ZINC000016902525 556648438 /nfs/dbraw/zinc/64/84/38/556648438.db2.gz DXPREYQJWKUNRD-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(Cl)c1Cl ZINC000016899424 556648471 /nfs/dbraw/zinc/64/84/71/556648471.db2.gz YXQKNPHFGXXNAR-ZDUSSCGKSA-N 0 0 435.254 5.454 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)c1 ZINC000016902550 556648807 /nfs/dbraw/zinc/64/88/07/556648807.db2.gz FKRDAJMCVZUYKZ-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1cccc(F)c1)CC2 ZINC000011726252 556648808 /nfs/dbraw/zinc/64/88/08/556648808.db2.gz QTZMKDWAYQLITP-DEOSSOPVSA-N 0 0 449.522 5.278 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)c1 ZINC000016902540 556648852 /nfs/dbraw/zinc/64/88/52/556648852.db2.gz WQZPFLPKHUEMBE-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cc(C)ccc2C)c1 ZINC000016946133 556649841 /nfs/dbraw/zinc/64/98/41/556649841.db2.gz JKXNWHYEWYEJIQ-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CCOc1ccc(NC(=O)Nc2nnc(CSCc3ccc(Cl)cc3)s2)cc1 ZINC000016946518 556649903 /nfs/dbraw/zinc/64/99/03/556649903.db2.gz MKVWRROOQLLRLR-UHFFFAOYSA-N 0 0 434.974 5.668 50 0 IKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000016956739 556650628 /nfs/dbraw/zinc/65/06/28/556650628.db2.gz ROEUVZCQIRMFMM-UHFFFAOYSA-N 0 0 432.888 5.975 50 0 IKAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000016973318 556651677 /nfs/dbraw/zinc/65/16/77/556651677.db2.gz LBIIKQOOEWBEOF-CQSZACIVSA-N 0 0 441.578 5.123 50 0 IKAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000011758384 556652714 /nfs/dbraw/zinc/65/27/14/556652714.db2.gz JRLPECJKIZDJLN-QBFSEMIESA-N 0 0 426.428 5.066 50 0 IKAARN Cc1cc(C)cc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010843 556652720 /nfs/dbraw/zinc/65/27/20/556652720.db2.gz QTGHAMVSQFBEPR-UHFFFAOYSA-N 0 0 426.568 6.311 50 0 IKAARN Cc1cc(C)cc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010872 556652792 /nfs/dbraw/zinc/65/27/92/556652792.db2.gz PTDHUQUOZKQPRK-UHFFFAOYSA-N 0 0 434.547 5.831 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)c3ccccc3S2)cc1 ZINC000017010594 556652799 /nfs/dbraw/zinc/65/27/99/556652799.db2.gz MGGCFHGQDZJRLS-XMMPIXPASA-N 0 0 446.572 5.521 50 0 IKAARN FC(F)(F)c1cccc(CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)c1 ZINC000011758564 556653196 /nfs/dbraw/zinc/65/31/96/556653196.db2.gz CCFGYRFHBMPAIF-UHFFFAOYSA-N 0 0 435.862 5.234 50 0 IKAARN Cc1ccc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052974 556654402 /nfs/dbraw/zinc/65/44/02/556654402.db2.gz VQQPFIYYQYGEMC-UHFFFAOYSA-N 0 0 438.510 5.927 50 0 IKAARN O=C(Nc1nnc(-c2ccccc2SCc2ccccc2)s1)Nc1ccccc1F ZINC000017045743 556654426 /nfs/dbraw/zinc/65/44/26/556654426.db2.gz ZCCJIOWLKYKOBU-UHFFFAOYSA-N 0 0 436.537 6.281 50 0 IKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)cs2)c1C ZINC000033004495 556654447 /nfs/dbraw/zinc/65/44/47/556654447.db2.gz CGDZTAANDKXRNA-UHFFFAOYSA-N 0 0 436.503 5.488 50 0 IKAARN C[C@@H]1O[C@H](n2c3ccccc3c3ccccc32)[C@H](C)O[C@@H]1n1c2ccccc2c2ccccc21 ZINC000248000779 556654688 /nfs/dbraw/zinc/65/46/88/556654688.db2.gz FPILFFLXHSKNOF-BLQAFSTQSA-N 0 0 446.550 7.424 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000032925823 556654913 /nfs/dbraw/zinc/65/49/13/556654913.db2.gz CYCDXROGZDQPLX-UHFFFAOYSA-N 0 0 447.520 5.322 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000032925815 556654935 /nfs/dbraw/zinc/65/49/35/556654935.db2.gz JSUIIKSYAGDWOH-UHFFFAOYSA-N 0 0 427.504 6.183 50 0 IKAARN CCC[C@@H](NC(=O)c1ccc(Cn2c3ccccc3nc(C)c2=O)cc1)c1cccs1 ZINC000033005880 556654951 /nfs/dbraw/zinc/65/49/51/556654951.db2.gz UAZJNPHTHWSOQN-OAQYLSRUSA-N 0 0 431.561 5.086 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000032925825 556655188 /nfs/dbraw/zinc/65/51/88/556655188.db2.gz YXGOMASZNYSFSO-UHFFFAOYSA-N 0 0 448.573 6.005 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NC3CCCCCCC3)c2=O)cc1 ZINC000033006727 556655536 /nfs/dbraw/zinc/65/55/36/556655536.db2.gz DLWKOFOMKJBDCV-UHFFFAOYSA-N 0 0 449.620 5.074 50 0 IKAARN COc1cccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(OC)c2)c1 ZINC000033008594 556656218 /nfs/dbraw/zinc/65/62/18/556656218.db2.gz LYJQNXALODSIHC-UHFFFAOYSA-N 0 0 448.504 5.210 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cccc(C)c3C)c2)c1 ZINC000033009176 556656516 /nfs/dbraw/zinc/65/65/16/556656516.db2.gz MGSXLAICHVMLQQ-UHFFFAOYSA-N 0 0 442.563 6.108 50 0 IKAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(Br)cc3F)cc2s1 ZINC000033008039 556656765 /nfs/dbraw/zinc/65/67/65/556656765.db2.gz LGARWZCIWILBPQ-UHFFFAOYSA-N 0 0 437.294 5.190 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000017085920 556657101 /nfs/dbraw/zinc/65/71/01/556657101.db2.gz YYVVLIYYXWRGTF-DVECYGJZSA-N 0 0 446.616 6.332 50 0 IKAARN CCc1ccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033008336 556657111 /nfs/dbraw/zinc/65/71/11/556657111.db2.gz LYAUIURGQKKMQE-UHFFFAOYSA-N 0 0 430.533 6.063 50 0 IKAARN CCOc1ccc(Cl)c(C(=O)Nc2ccc(S[C@H](C)CC)cc2C(F)(F)F)n1 ZINC000060306127 556657170 /nfs/dbraw/zinc/65/71/70/556657170.db2.gz QRVPRXZZWSSKQM-LLVKDONJSA-N 0 0 432.895 6.295 50 0 IKAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc(Cl)c1O ZINC000017085953 556657117 /nfs/dbraw/zinc/65/71/17/556657117.db2.gz KIGVNDDVIMLPAK-HXPMCKFVSA-N 0 0 434.989 5.511 50 0 IKAARN CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)C)C3 ZINC000017085911 556657140 /nfs/dbraw/zinc/65/71/40/556657140.db2.gz JABBVOCCRBNMAF-WAIKUNEKSA-N 0 0 434.605 6.305 50 0 IKAARN Cc1cc(NC(=O)Nc2ccccc2Cl)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008332 556657198 /nfs/dbraw/zinc/65/71/98/556657198.db2.gz XYNXQXCZNPFPAK-UHFFFAOYSA-N 0 0 436.924 6.154 50 0 IKAARN COc1ccccc1-c1nn(-c2cccc(Cl)c2)c(-c2ccccc2OC)c1Cl ZINC000017094290 556657404 /nfs/dbraw/zinc/65/74/04/556657404.db2.gz WJHFGHZYZOEWAG-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN CCOc1ccc(Cl)c(C(=O)Nc2ccc(S[C@@H](C)CC)cc2C(F)(F)F)n1 ZINC000060306129 556657450 /nfs/dbraw/zinc/65/74/50/556657450.db2.gz QRVPRXZZWSSKQM-NSHDSACASA-N 0 0 432.895 6.295 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017094286 556657510 /nfs/dbraw/zinc/65/75/10/556657510.db2.gz WTIKNYPIIXGSCK-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Cc1ccc(CNC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCC2)cc1 ZINC000033009262 556657506 /nfs/dbraw/zinc/65/75/06/556657506.db2.gz KZRIJVGCIGMVGM-UHFFFAOYSA-N 0 0 442.563 5.478 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c(Cl)c1 ZINC000033009410 556657519 /nfs/dbraw/zinc/65/75/19/556657519.db2.gz GHZILQKDPURHTG-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000033009315 556657523 /nfs/dbraw/zinc/65/75/23/556657523.db2.gz SBNAHZDNMITTML-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1Cl ZINC000033009400 556657534 /nfs/dbraw/zinc/65/75/34/556657534.db2.gz OAXQAWZRBRKAEW-UHFFFAOYSA-N 0 0 448.954 6.145 50 0 IKAARN COc1cccc(NC(=O)Nc2cc(NC(=O)c3ccc(C)cc3)ccc2N2CCCC2)c1 ZINC000033009307 556657541 /nfs/dbraw/zinc/65/75/41/556657541.db2.gz ZONBADCPPKIMJM-UHFFFAOYSA-N 0 0 444.535 5.500 50 0 IKAARN CC[C@@H](C)Sc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c(C(F)(F)F)c1 ZINC000060306131 556657551 /nfs/dbraw/zinc/65/75/51/556657551.db2.gz MSDCYKQSYNZDCM-CYBMUJFWSA-N 0 0 437.462 6.173 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000017094299 556657594 /nfs/dbraw/zinc/65/75/94/556657594.db2.gz PZHMVMWWHSTYFL-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)cc1F ZINC000033009619 556657637 /nfs/dbraw/zinc/65/76/37/556657637.db2.gz YRQPWJIRASLYCZ-UHFFFAOYSA-N 0 0 446.526 6.021 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2s1 ZINC000017094526 556657690 /nfs/dbraw/zinc/65/76/90/556657690.db2.gz WZHZAYZROYSZRM-UHFFFAOYSA-N 0 0 425.554 5.350 50 0 IKAARN CCc1c(C)sc(NC(=S)Nc2ccc(Cc3ccncc3)cc2)c1C(=O)OC ZINC000017094549 556657703 /nfs/dbraw/zinc/65/77/03/556657703.db2.gz GNAXTAXRBJNCBA-UHFFFAOYSA-N 0 0 425.579 5.200 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)cc1 ZINC000033009600 556657679 /nfs/dbraw/zinc/65/76/79/556657679.db2.gz HPTJGUQWHVUCKW-UHFFFAOYSA-N 0 0 428.536 5.882 50 0 IKAARN CC(C)c1ccc2oc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)nc2c1 ZINC000017094729 556657874 /nfs/dbraw/zinc/65/78/74/556657874.db2.gz QNUBIMQJCNHZRG-UHFFFAOYSA-N 0 0 426.303 6.572 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033010456 556658088 /nfs/dbraw/zinc/65/80/88/556658088.db2.gz SKYILVYTSSTHSF-UHFFFAOYSA-N 0 0 436.559 6.791 50 0 IKAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1)c1ccc(C)cc1 ZINC000011809981 556658107 /nfs/dbraw/zinc/65/81/07/556658107.db2.gz NIQCLJZXUMNTGR-HXUWFJFHSA-N 0 0 432.549 5.114 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)ncn2)c1 ZINC000033010457 556658176 /nfs/dbraw/zinc/65/81/76/556658176.db2.gz MXEJXZLTFUSNGT-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1Cl ZINC000033010527 556658329 /nfs/dbraw/zinc/65/83/29/556658329.db2.gz YQLBPVYRRWEJHQ-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010540 556658333 /nfs/dbraw/zinc/65/83/33/556658333.db2.gz BPAABBXINRQVBT-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1Cl ZINC000033010580 556658348 /nfs/dbraw/zinc/65/83/48/556658348.db2.gz SKVUDAGRWDPLDE-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010533 556658353 /nfs/dbraw/zinc/65/83/53/556658353.db2.gz XENMDBZHWKFOSS-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)ncn2)cc1 ZINC000033010554 556658380 /nfs/dbraw/zinc/65/83/80/556658380.db2.gz ZFKKXGGPDUJCIQ-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1Cl ZINC000033010509 556658405 /nfs/dbraw/zinc/65/84/05/556658405.db2.gz JQRBUTJJQYXMHR-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033010625 556658651 /nfs/dbraw/zinc/65/86/51/556658651.db2.gz FFOMIZCOIHVOCG-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033010606 556658660 /nfs/dbraw/zinc/65/86/60/556658660.db2.gz UANVZUFXRXQMOQ-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)c1 ZINC000033010687 556658676 /nfs/dbraw/zinc/65/86/76/556658676.db2.gz SLWBEUQOPJVYSE-LJQANCHMSA-N 0 0 438.531 5.695 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3C)c2)c1 ZINC000033009203 556658722 /nfs/dbraw/zinc/65/87/22/556658722.db2.gz NPRSHDHELPXILD-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ncn2)c1 ZINC000033010699 556658728 /nfs/dbraw/zinc/65/87/28/556658728.db2.gz LTQNADNGUGESIS-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033010585 556658730 /nfs/dbraw/zinc/65/87/30/556658730.db2.gz UWPVFMPDFIUBKZ-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCC2)cc1 ZINC000033009200 556658734 /nfs/dbraw/zinc/65/87/34/556658734.db2.gz BLJHORZUQXASDC-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010895 556658780 /nfs/dbraw/zinc/65/87/80/556658780.db2.gz KFKBFLMHXSQKLT-SFHVURJKSA-N 0 0 426.495 5.826 50 0 IKAARN c1sc2nc(-c3cccnc3)nc(Oc3ccc4ccncc4c3)c2c1-c1ccccc1 ZINC000033010871 556658792 /nfs/dbraw/zinc/65/87/92/556658792.db2.gz NNAINDUBJBASDU-UHFFFAOYSA-N 0 0 432.508 6.761 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010894 556658838 /nfs/dbraw/zinc/65/88/38/556658838.db2.gz KFKBFLMHXSQKLT-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)ncn2)cc1 ZINC000033010810 556658846 /nfs/dbraw/zinc/65/88/46/556658846.db2.gz OHONSVBDNDVJHF-RUZDIDTESA-N 0 0 434.543 6.003 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccc(F)cc3)c2)c1 ZINC000033009242 556658849 /nfs/dbraw/zinc/65/88/49/556658849.db2.gz MONRTUGWMMDVMK-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)c1 ZINC000033010821 556658900 /nfs/dbraw/zinc/65/89/00/556658900.db2.gz HPDOSFURAYXITA-IBGZPJMESA-N 0 0 438.531 5.695 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccnc2)nc2c(Cl)cccc12 ZINC000017095629 556659047 /nfs/dbraw/zinc/65/90/47/556659047.db2.gz OGIWQZSYWRNRBU-UHFFFAOYSA-N 0 0 427.813 6.221 50 0 IKAARN CCc1cc(C(=O)Nn2c(=O)c3c([nH]c2=S)sc(C)c3-c2ccccc2)cs1 ZINC000017095571 556659082 /nfs/dbraw/zinc/65/90/82/556659082.db2.gz CRDPNNRDJGPPBR-UHFFFAOYSA-N 0 0 427.576 5.104 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010719 556659128 /nfs/dbraw/zinc/65/91/28/556659128.db2.gz KAAPHTZPZUIYNH-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1Cl ZINC000033010737 556659172 /nfs/dbraw/zinc/65/91/72/556659172.db2.gz NMQITLOORVGNPG-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN Cc1sc2nc(SCc3cccc(Cl)c3)n(Cc3cccnc3)c(=O)c2c1C ZINC000017095668 556659242 /nfs/dbraw/zinc/65/92/42/556659242.db2.gz JNXHDZJJTCEPBT-UHFFFAOYSA-N 0 0 427.982 5.464 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000017095729 556659243 /nfs/dbraw/zinc/65/92/43/556659243.db2.gz PDKOYWMCNGYZST-UHFFFAOYSA-N 0 0 428.344 6.268 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000017095730 556659252 /nfs/dbraw/zinc/65/92/52/556659252.db2.gz MMYJIKZJZMQDKQ-UHFFFAOYSA-N 0 0 428.344 6.268 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010744 556659337 /nfs/dbraw/zinc/65/93/37/556659337.db2.gz UYJBAKFMAAYTHX-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN O=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000011834997 556659353 /nfs/dbraw/zinc/65/93/53/556659353.db2.gz JJTQUMHLZXYBLW-UHFFFAOYSA-N 0 0 433.489 5.352 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1ccc(F)cc1 ZINC000017096016 556659504 /nfs/dbraw/zinc/65/95/04/556659504.db2.gz JLNDRQCSRWCPQU-UHFFFAOYSA-N 0 0 428.554 5.260 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)oc2cc1C ZINC000017095959 556659578 /nfs/dbraw/zinc/65/95/78/556659578.db2.gz YKWYPIDSFHKJIQ-UHFFFAOYSA-N 0 0 428.532 6.427 50 0 IKAARN CCCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1csc(C)c1CC ZINC000017096137 556659727 /nfs/dbraw/zinc/65/97/27/556659727.db2.gz OCCGPFWPPZYASK-HNNXBMFYSA-N 0 0 428.627 5.257 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)cc2)cc1 ZINC000017096099 556659748 /nfs/dbraw/zinc/65/97/48/556659748.db2.gz SMFVERULOOBXSE-BGYRXZFFSA-N 0 0 428.576 7.218 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3csc(C)c3C)n2C(C)C)c1 ZINC000017096115 556659775 /nfs/dbraw/zinc/65/97/75/556659775.db2.gz XMPPYJYOBDJFQC-UHFFFAOYSA-N 0 0 428.583 5.138 50 0 IKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccc(Br)c1 ZINC000017096151 556659995 /nfs/dbraw/zinc/65/99/95/556659995.db2.gz ADFDARXSPLHSKV-UHFFFAOYSA-N 0 0 428.673 5.558 50 0 IKAARN CCOc1ccc(NC(=O)CCCCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000011847394 556660230 /nfs/dbraw/zinc/66/02/30/556660230.db2.gz RDWMZULSHJCASY-UHFFFAOYSA-N 0 0 430.504 5.034 50 0 IKAARN CCn1c(SCc2cccc3ccccc32)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000017096642 556660516 /nfs/dbraw/zinc/66/05/16/556660516.db2.gz OBPJXZMXJPSGFT-UHFFFAOYSA-N 0 0 429.589 6.732 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC ZINC000017096951 556660703 /nfs/dbraw/zinc/66/07/03/556660703.db2.gz DVERUFOLDHNGJB-UHFFFAOYSA-N 0 0 430.504 5.549 50 0 IKAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4cccc(Cl)c4)c32)C1 ZINC000033012188 556660909 /nfs/dbraw/zinc/66/09/09/556660909.db2.gz LEVOLBVQAUMCJO-CQSZACIVSA-N 0 0 429.973 5.094 50 0 IKAARN Cc1ccc(CNC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000017097187 556661211 /nfs/dbraw/zinc/66/12/11/556661211.db2.gz IAJYKLXDKFAJGZ-UHFFFAOYSA-N 0 0 430.617 5.018 50 0 IKAARN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 ZINC000011852409 556661430 /nfs/dbraw/zinc/66/14/30/556661430.db2.gz VJHLFWOTGNAVHC-QGZVFWFLSA-N 0 0 449.985 5.385 50 0 IKAARN CC[C@@H](NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000017097273 556661466 /nfs/dbraw/zinc/66/14/66/556661466.db2.gz JBPHPGIIBYURDY-NFQTVLRUSA-N 0 0 430.951 6.167 50 0 IKAARN Cc1cc([C@H](Nc2ccccn2)c2ccccc2Cl)c(NC(=O)c2ccccc2)s1 ZINC000043220759 556661445 /nfs/dbraw/zinc/66/14/45/556661445.db2.gz DTNRTJQNFSOVAT-JOCHJYFZSA-N 0 0 433.964 6.559 50 0 IKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccccc2Cl)c(NC(=O)c2ccccc2)s1 ZINC000043220760 556661568 /nfs/dbraw/zinc/66/15/68/556661568.db2.gz DTNRTJQNFSOVAT-QFIPXVFZSA-N 0 0 433.964 6.559 50 0 IKAARN O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1Cl ZINC000011852390 556661744 /nfs/dbraw/zinc/66/17/44/556661744.db2.gz ZGWMDKZASXPQCO-OAQYLSRUSA-N 0 0 431.344 5.533 50 0 IKAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000033013054 556662353 /nfs/dbraw/zinc/66/23/53/556662353.db2.gz ZRWQJKIZVUQVPR-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000100749990 556662465 /nfs/dbraw/zinc/66/24/65/556662465.db2.gz DOCWRDCHTGLTCR-XMMPIXPASA-N 0 0 447.538 5.256 50 0 biogenic IKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1Oc1ccccc1 ZINC000011852535 556662654 /nfs/dbraw/zinc/66/26/54/556662654.db2.gz DEWVNZDOLBGXAJ-UHFFFAOYSA-N 0 0 429.526 6.464 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000017098355 556663007 /nfs/dbraw/zinc/66/30/07/556663007.db2.gz PNTMTNOXEINTMW-TWLOVUBOSA-N 0 0 433.379 6.292 50 0 IKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(Cl)cc2)c1-c1ccc(OC)cc1 ZINC000017098262 556663014 /nfs/dbraw/zinc/66/30/14/556663014.db2.gz AJQRZASVNWAKLO-UHFFFAOYSA-N 0 0 432.951 6.498 50 0 IKAARN Fc1ccc(CSCC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000017098662 556663513 /nfs/dbraw/zinc/66/35/13/556663513.db2.gz HOWKJCZOIKDTAX-UHFFFAOYSA-N 0 0 433.883 5.801 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1C ZINC000017098868 556663725 /nfs/dbraw/zinc/66/37/25/556663725.db2.gz MAHXGFUXKOXKCP-UHFFFAOYSA-N 0 0 434.505 7.518 50 0 IKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)OCc1ccccc1Cl ZINC000033014007 556664028 /nfs/dbraw/zinc/66/40/28/556664028.db2.gz CVQRCHROXYYAGX-UHFFFAOYSA-N 0 0 440.927 5.713 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)OCCOc1ccccc1 ZINC000033014055 556664074 /nfs/dbraw/zinc/66/40/74/556664074.db2.gz WODGOFATSBYRCA-UHFFFAOYSA-N 0 0 432.545 5.107 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2noc(C3CCCCC3)n2)c1 ZINC000033013490 556664099 /nfs/dbraw/zinc/66/40/99/556664099.db2.gz RZUIBWKJSFLKSY-UHFFFAOYSA-N 0 0 441.553 5.008 50 0 IKAARN CC(C)(C)c1nc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)no1 ZINC000069920305 556664391 /nfs/dbraw/zinc/66/43/91/556664391.db2.gz MQBRJQDFKCZOEJ-NRFANRHFSA-N 0 0 439.604 5.056 50 0 IKAARN COc1ccc(-c2c(=O)c3ccc(OCc4ccccc4C)cc3oc2C(F)(F)F)cc1 ZINC000011865231 556664423 /nfs/dbraw/zinc/66/44/23/556664423.db2.gz WNDRUPVOTFGTEU-UHFFFAOYSA-N 0 0 440.417 6.375 50 0 IKAARN COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 ZINC000011865228 556664445 /nfs/dbraw/zinc/66/44/45/556664445.db2.gz HBSXUOCCDMOJDS-UHFFFAOYSA-N 0 0 427.283 6.354 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000017099442 556664628 /nfs/dbraw/zinc/66/46/28/556664628.db2.gz DGPKXLPQSWUPDX-UHFFFAOYSA-N 0 0 435.354 7.386 50 0 IKAARN Cc1ccc(Cl)c(OC(C)(C)C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)c1 ZINC000017099350 556664687 /nfs/dbraw/zinc/66/46/87/556664687.db2.gz CAIPHEXUZJDYNW-UHFFFAOYSA-N 0 0 434.989 5.264 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N[C@H](C)c1ccccc1 ZINC000017099438 556664753 /nfs/dbraw/zinc/66/47/53/556664753.db2.gz NNWGVNWWGSTWID-MRXNPFEDSA-N 0 0 435.354 7.008 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1C ZINC000017099663 556664905 /nfs/dbraw/zinc/66/49/05/556664905.db2.gz YEOWOZUMXQNNED-UHFFFAOYSA-N 0 0 435.571 5.477 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000017100301 556665394 /nfs/dbraw/zinc/66/53/94/556665394.db2.gz CIDDHBFVLGNKMS-UHFFFAOYSA-N 0 0 436.515 5.175 50 0 IKAARN COc1ccc2cc(-c3cc(=O)oc4cc(OCc5cccc(F)c5)ccc43)c(=O)oc2c1 ZINC000011865630 556665461 /nfs/dbraw/zinc/66/54/61/556665461.db2.gz JQPVVLRGPKXNBF-UHFFFAOYSA-N 0 0 444.414 5.293 50 0 IKAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1cccs1 ZINC000033018613 556665503 /nfs/dbraw/zinc/66/55/03/556665503.db2.gz CLFKFQNGPGAYSM-UHFFFAOYSA-N 0 0 438.940 5.032 50 0 IKAARN Cc1ccccc1NC(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000033018500 556665537 /nfs/dbraw/zinc/66/55/37/556665537.db2.gz ZOGKTQHVWNIGSM-UHFFFAOYSA-N 0 0 435.574 6.420 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)c2nc(-c3ccc(OC(F)(F)F)cc3)sc2C)c1 ZINC000011865766 556665521 /nfs/dbraw/zinc/66/55/21/556665521.db2.gz UHCJDMOJFDYSEL-UHFFFAOYSA-N 0 0 435.427 5.228 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc([C@@H]3C[C@@H]3c3ccc(C)cc3)n2CC)cc1 ZINC000017100664 556665642 /nfs/dbraw/zinc/66/56/42/556665642.db2.gz RHUGGTJYJPLZHO-NHCUHLMSSA-N 0 0 436.581 5.007 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)NCc3cccs3)cc(-c3ccc4c(c3)OCO4)nc12 ZINC000017100879 556665910 /nfs/dbraw/zinc/66/59/10/556665910.db2.gz GYSBWSAIVSBIDY-UHFFFAOYSA-N 0 0 436.920 5.584 50 0 IKAARN OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000017101013 556665941 /nfs/dbraw/zinc/66/59/41/556665941.db2.gz LDYJDNUNLNPXEQ-UHFFFAOYSA-N 0 0 437.008 5.685 50 0 IKAARN O=C1N[C@H](c2cccs2)Nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000017101353 556666110 /nfs/dbraw/zinc/66/61/10/556666110.db2.gz BJSPKIOVDQQUNU-OAHLLOKOSA-N 0 0 437.493 5.959 50 0 IKAARN O=C1N[C@@H](c2cccs2)Nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000017101354 556666150 /nfs/dbraw/zinc/66/61/50/556666150.db2.gz BJSPKIOVDQQUNU-HNNXBMFYSA-N 0 0 437.493 5.959 50 0 IKAARN C(=C/Cn1c2ccccc2nc1-c1ccccc1)\Cn1c2ccccc2nc1-c1ccccc1 ZINC000044124703 556666187 /nfs/dbraw/zinc/66/61/87/556666187.db2.gz OEJCPXOQQQATBA-VAWYXSNFSA-N 0 0 440.550 6.976 50 0 IKAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)c1 ZINC000011866308 556666195 /nfs/dbraw/zinc/66/61/95/556666195.db2.gz LJRNORISHLELCB-UHFFFAOYSA-N 0 0 443.503 5.428 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1OC ZINC000011866282 556666200 /nfs/dbraw/zinc/66/62/00/556666200.db2.gz QEEHZIHJSYQHKG-UHFFFAOYSA-N 0 0 432.451 5.252 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000017101772 556666283 /nfs/dbraw/zinc/66/62/83/556666283.db2.gz IAKRQRYCWFZPRX-UHFFFAOYSA-N 0 0 437.927 5.626 50 0 IKAARN Cn1c(SCc2csc(-c3cccc(C(F)(F)F)c3)n2)nnc1-c1cccs1 ZINC000017102283 556666477 /nfs/dbraw/zinc/66/64/77/556666477.db2.gz HOSOVPGZHOEJDA-UHFFFAOYSA-N 0 0 438.525 5.978 50 0 IKAARN CCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 ZINC000011866381 556666563 /nfs/dbraw/zinc/66/65/63/556666563.db2.gz UVINWACNYYKOSH-UHFFFAOYSA-N 0 0 439.231 5.696 50 0 IKAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 ZINC000011867379 556666602 /nfs/dbraw/zinc/66/66/02/556666602.db2.gz IJIHHODWULGZAW-UHFFFAOYSA-N 0 0 426.512 6.373 50 0 IKAARN O=C(NCCCCc1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000017102311 556666572 /nfs/dbraw/zinc/66/65/72/556666572.db2.gz PHTFQELKTQSVLD-UHFFFAOYSA-N 0 0 438.527 5.426 50 0 IKAARN COC(=O)[C@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 ZINC000011866615 556666754 /nfs/dbraw/zinc/66/67/54/556666754.db2.gz JXVSRWFHCGBLJV-RUZDIDTESA-N 0 0 428.484 5.294 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3cc(Cl)ccc3n2)s1 ZINC000017103004 556666979 /nfs/dbraw/zinc/66/69/79/556666979.db2.gz WJYAIUDJNWCRAF-UHFFFAOYSA-N 0 0 438.984 5.493 50 0 IKAARN COc1cccc(CNC(=O)Cc2c(C)c3c4occ(C(C)(C)C)c4c(C)cc3oc2=O)c1 ZINC000011867443 556667178 /nfs/dbraw/zinc/66/71/78/556667178.db2.gz AZKUHBLOCYJRJP-UHFFFAOYSA-N 0 0 447.531 5.321 50 0 IKAARN COc1ccccc1CNC(=O)Cc1c(C)c2c3occ(C(C)(C)C)c3c(C)cc2oc1=O ZINC000011867444 556667215 /nfs/dbraw/zinc/66/72/15/556667215.db2.gz FVSLOOARHZMXJL-UHFFFAOYSA-N 0 0 447.531 5.321 50 0 IKAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)cc1 ZINC000011867548 556667526 /nfs/dbraw/zinc/66/75/26/556667526.db2.gz UZLIYLJTYCCVND-UHFFFAOYSA-N 0 0 447.531 5.321 50 0 IKAARN Cc1ccc(CNC(=O)Cc2c(C)c3c4occ(C(C)(C)C)c4c(C)cc3oc2=O)cc1 ZINC000011867446 556667560 /nfs/dbraw/zinc/66/75/60/556667560.db2.gz FIUNDQJRJDVYTN-UHFFFAOYSA-N 0 0 431.532 5.621 50 0 IKAARN COc1ccc(CNC(=O)Cc2c(C)c3c4occ(C(C)(C)C)c4c(C)cc3oc2=O)cc1 ZINC000011867592 556667597 /nfs/dbraw/zinc/66/75/97/556667597.db2.gz PVUNBNKZCLTFPW-UHFFFAOYSA-N 0 0 447.531 5.321 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Br)cc2)s1)Nc1cccc(Cl)c1 ZINC000017112351 556667861 /nfs/dbraw/zinc/66/78/61/556667861.db2.gz YBOLEZSRUDENOB-UHFFFAOYSA-N 0 0 439.722 5.177 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc3S2)cc1 ZINC000017123182 556668665 /nfs/dbraw/zinc/66/86/65/556668665.db2.gz ZVVQLFHYSJYPJR-HSZRJFAPSA-N 0 0 432.545 5.212 50 0 IKAARN CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)CC1 ZINC000011904290 556669486 /nfs/dbraw/zinc/66/94/86/556669486.db2.gz SJOJUOIHAMYIQT-UHFFFAOYSA-N 0 0 441.597 5.409 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3ccc(Cl)cc3Cl)o2)CC1 ZINC000011903939 556670002 /nfs/dbraw/zinc/67/00/02/556670002.db2.gz BWNLBNKAILWLJU-UHFFFAOYSA-N 0 0 444.384 5.783 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)c2)cc1 ZINC000017154488 556670244 /nfs/dbraw/zinc/67/02/44/556670244.db2.gz OICCYXHWDBRVRD-BGYRXZFFSA-N 0 0 432.520 5.115 50 0 IKAARN O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccc(F)cc1F ZINC000017156552 556670525 /nfs/dbraw/zinc/67/05/25/556670525.db2.gz CVJDHEJJMUEDIH-UHFFFAOYSA-N 0 0 430.867 5.059 50 0 IKAARN Cc1ccc(NC(=O)Nc2nnc(CCCOc3ccc(Cl)cc3Cl)s2)cc1 ZINC000017159700 556670579 /nfs/dbraw/zinc/67/05/79/556670579.db2.gz XWKKQKBGQYSHSC-UHFFFAOYSA-N 0 0 437.352 5.809 50 0 IKAARN COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 ZINC000017162000 556670800 /nfs/dbraw/zinc/67/08/00/556670800.db2.gz BPQJCXIQGKBASQ-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN O=C(Nc1nnc(/C=C/c2ccccc2Cl)s1)Nc1ccc(Cl)cc1Cl ZINC000017162619 556670803 /nfs/dbraw/zinc/67/08/03/556670803.db2.gz ZXNRQHPDZMBBPE-VMPITWQZSA-N 0 0 425.728 6.313 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)Nc1ccc(Cl)cc1Cl ZINC000017179984 556671720 /nfs/dbraw/zinc/67/17/20/556671720.db2.gz FFEISRCMGFEIGV-UHFFFAOYSA-N 0 0 445.784 6.435 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccccc2)ncc1Br ZINC000011916305 556673098 /nfs/dbraw/zinc/67/30/98/556673098.db2.gz QXNJORBHWGKOEE-UHFFFAOYSA-N 0 0 434.746 5.437 50 0 IKAARN CCC(CC)C(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000011915909 556674449 /nfs/dbraw/zinc/67/44/49/556674449.db2.gz BRHUQMKHDGPNRU-UHFFFAOYSA-N 0 0 436.577 5.457 50 0 IKAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017271131 556674561 /nfs/dbraw/zinc/67/45/61/556674561.db2.gz ACHMVQJBMHDDAJ-KRWDZBQOSA-N 0 0 447.988 5.099 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(F)c3)on1)CCCC2 ZINC000011916901 556674959 /nfs/dbraw/zinc/67/49/59/556674959.db2.gz ZWYCTXPLHHWXBR-UHFFFAOYSA-N 0 0 428.485 5.158 50 0 IKAARN COc1cc(CCC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1 ZINC000032932421 556675705 /nfs/dbraw/zinc/67/57/05/556675705.db2.gz KBSMQWQFGZOAHJ-SFHVURJKSA-N 0 0 447.535 5.158 50 0 IKAARN CCc1ccccc1NC(=S)N(Cc1ccc(Cl)cc1)CP(=O)(OC)OC ZINC000013521007 556675857 /nfs/dbraw/zinc/67/58/57/556675857.db2.gz QXLYUTQGKZQYQC-UHFFFAOYSA-N 0 0 426.906 5.545 50 0 IKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)c1C ZINC000033019342 556675866 /nfs/dbraw/zinc/67/58/66/556675866.db2.gz WQTNDVGLOYWLGB-UHFFFAOYSA-N 0 0 431.005 5.821 50 0 IKAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032932863 556676095 /nfs/dbraw/zinc/67/60/95/556676095.db2.gz MFQZNPIFVDFISG-CYBMUJFWSA-N 0 0 435.958 5.085 50 0 IKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)c1C ZINC000033019382 556676176 /nfs/dbraw/zinc/67/61/76/556676176.db2.gz TXUFFYHHHXTBOD-UHFFFAOYSA-N 0 0 431.005 5.821 50 0 IKAARN CCc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(Cc3cccc(F)c3)c2C)n1 ZINC000033019457 556676360 /nfs/dbraw/zinc/67/63/60/556676360.db2.gz NXUVWDYWTJQBDN-UHFFFAOYSA-N 0 0 448.567 5.419 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033019453 556676396 /nfs/dbraw/zinc/67/63/96/556676396.db2.gz OSNZZSOPBCDWKE-UHFFFAOYSA-N 0 0 448.567 5.474 50 0 IKAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)on1 ZINC000032933124 556676385 /nfs/dbraw/zinc/67/63/85/556676385.db2.gz WLUNJBNLXIYGIC-KRWDZBQOSA-N 0 0 426.929 5.323 50 0 IKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)OCc1nc(-c2ccccc2)cs1 ZINC000032931813 556676575 /nfs/dbraw/zinc/67/65/75/556676575.db2.gz ZHCIATZLBVSYAV-UHFFFAOYSA-N 0 0 426.950 5.873 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100817213 556677050 /nfs/dbraw/zinc/67/70/50/556677050.db2.gz AQFAZOZBWBGLSX-JOCHJYFZSA-N 0 0 449.341 6.317 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000100817198 556677120 /nfs/dbraw/zinc/67/71/20/556677120.db2.gz BFMIZRKVKNDFSX-NRFANRHFSA-N 0 0 432.886 5.802 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100817209 556677146 /nfs/dbraw/zinc/67/71/46/556677146.db2.gz AQFAZOZBWBGLSX-QFIPXVFZSA-N 0 0 449.341 6.317 50 0 IKAARN Cc1oc(-c2cccs2)nc1CC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000032936200 556678487 /nfs/dbraw/zinc/67/84/87/556678487.db2.gz FMWRFHGOBMRNJR-UHFFFAOYSA-N 0 0 432.501 5.250 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)c2ccco2)c1 ZINC000017724523 556679104 /nfs/dbraw/zinc/67/91/04/556679104.db2.gz UOWXKHBODKGGSD-CEYNDMKZSA-N 0 0 433.504 5.695 50 0 IKAARN CC(=O)Nc1cccc(Oc2c(F)c(F)c(Oc3cccc(NC(C)=O)c3)c(F)c2F)c1 ZINC000000638388 556679953 /nfs/dbraw/zinc/67/99/53/556679953.db2.gz PDOHHNAQKPZPQY-UHFFFAOYSA-N 0 0 448.372 5.744 50 0 IKAARN CC12[C@@H]3c4cccc5cccc(c45)[C@@H]3N([C@H]3c4cccc5cccc(c45)[C@@H]31)N2c1ccccc1 ZINC000017948825 556680252 /nfs/dbraw/zinc/68/02/52/556680252.db2.gz IDPUIWYSFAENMW-GSZGAJLASA-N 0 0 436.558 7.479 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017986770 556680587 /nfs/dbraw/zinc/68/05/87/556680587.db2.gz LDALHFVGDABISL-JSNMRZPZSA-N 0 0 443.341 5.032 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCC(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000017987127 556680749 /nfs/dbraw/zinc/68/07/49/556680749.db2.gz APSPTYBBSCBBKP-AAGRLJPYSA-N 0 0 446.547 5.151 50 0 IKAARN Cc1cc(Br)ccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017988001 556681112 /nfs/dbraw/zinc/68/11/12/556681112.db2.gz CGPWKFRCBCMKST-MYNGYRLFSA-N 0 0 444.328 5.154 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1cc(-c2ccccc2)nc(C)n1 ZINC000012017036 556681406 /nfs/dbraw/zinc/68/14/06/556681406.db2.gz QRYOAUMHTFIVNJ-UHFFFAOYSA-N 0 0 441.578 5.038 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@H]3N2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000018125487 556684423 /nfs/dbraw/zinc/68/44/23/556684423.db2.gz ASRFVHXSSDGGPS-DLBZAZTESA-N 0 0 433.343 5.027 50 0 IKAARN O=C(Nc1nnc(CSCc2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000018120622 556684438 /nfs/dbraw/zinc/68/44/38/556684438.db2.gz LBTWJBNKPMLEBI-UHFFFAOYSA-N 0 0 425.366 5.922 50 0 IKAARN CCn1c(CCc2ccccc2NC(=O)c2ccc(Br)o2)nc2ccccc21 ZINC000033019724 556684567 /nfs/dbraw/zinc/68/45/67/556684567.db2.gz ZUOWVLGXACJAFZ-UHFFFAOYSA-N 0 0 438.325 5.449 50 0 IKAARN CCCn1c(CCc2ccccc2NC(=O)[C@@H](CC)c2ccccc2)nc2ccccc21 ZINC000033019753 556684598 /nfs/dbraw/zinc/68/45/98/556684598.db2.gz QLNWLWWRYRIFRY-QHCPKHFHSA-N 0 0 425.576 6.364 50 0 IKAARN CCc1ccc(-c2cc(C(=O)O[C@@H](CC)C(=O)c3ccccc3)c3cccc(C)c3n2)cc1 ZINC000009933843 556685158 /nfs/dbraw/zinc/68/51/58/556685158.db2.gz FEVZJXFZWZZVAP-SANMLTNESA-N 0 0 437.539 6.591 50 0 IKAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccccc3Br)ccc21 ZINC000033020494 556685291 /nfs/dbraw/zinc/68/52/91/556685291.db2.gz RCOAIUXCUYNHIB-UHFFFAOYSA-N 0 0 434.337 5.373 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc4sc(NC(=O)C(C)C)nc4c3)n[nH]2)cc1 ZINC000033020384 556685354 /nfs/dbraw/zinc/68/53/54/556685354.db2.gz BMWCFLBLLZHOBT-UHFFFAOYSA-N 0 0 433.537 5.096 50 0 IKAARN O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 ZINC000018178322 556685756 /nfs/dbraw/zinc/68/57/56/556685756.db2.gz CMWQHGOOGSLUPK-CTUHWIOQSA-N 0 0 431.532 5.249 50 0 IKAARN O=C1c2ccccc2C(=O)C(Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)=C1Cl ZINC000001920180 556685929 /nfs/dbraw/zinc/68/59/29/556685929.db2.gz FTVCSAHDFXKKJV-UHFFFAOYSA-N 0 0 444.701 6.727 50 0 IKAARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1c2ccccc2cc2ccccc12 ZINC000002075713 556686048 /nfs/dbraw/zinc/68/60/48/556686048.db2.gz UPTYECXZKKQXLU-RGEXLXHISA-N 0 0 427.297 6.737 50 0 IKAARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1c2ccccc2cc2ccccc21 ZINC000002113979 556686086 /nfs/dbraw/zinc/68/60/86/556686086.db2.gz NMNLBHGUTUBHJC-HYARGMPZSA-N 0 0 448.469 6.903 50 0 IKAARN C[C@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F ZINC000010636886 556686308 /nfs/dbraw/zinc/68/63/08/556686308.db2.gz VCNUUHRONNEGTF-QGZVFWFLSA-N 0 0 435.474 5.544 50 0 IKAARN CC(=O)N(c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1)c1cccc(C)c1C ZINC000010632932 556686312 /nfs/dbraw/zinc/68/63/12/556686312.db2.gz LHTMFWTWZWSFAC-UHFFFAOYSA-N 0 0 433.533 5.212 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1 ZINC000010632923 556686367 /nfs/dbraw/zinc/68/63/67/556686367.db2.gz QVBBCELGLIRURG-UHFFFAOYSA-N 0 0 433.533 5.157 50 0 IKAARN CCc1ccccc1/N=C1\S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 ZINC000002163077 556686456 /nfs/dbraw/zinc/68/64/56/556686456.db2.gz SMEIBFKIOWIDLV-JWMLTMDESA-N 0 0 434.561 5.914 50 0 IKAARN COc1cccc(-c2noc(-c3ccc(CSCc4ccccc4Cl)o3)n2)c1OC ZINC000033021830 556686553 /nfs/dbraw/zinc/68/65/53/556686553.db2.gz GGYOQQWFNYZAAX-UHFFFAOYSA-N 0 0 442.924 6.101 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(CSCc4ccccc4Cl)o3)n2)c(OC)c1 ZINC000033021831 556686563 /nfs/dbraw/zinc/68/65/63/556686563.db2.gz CYMIIPZPKFHICR-UHFFFAOYSA-N 0 0 442.924 6.101 50 0 IKAARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000002185482 556686764 /nfs/dbraw/zinc/68/67/64/556686764.db2.gz BFWJMWNUUDVLGP-LFVJCYFKSA-N 0 0 448.563 5.108 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)cc1C ZINC000033022091 556686869 /nfs/dbraw/zinc/68/68/69/556686869.db2.gz INNYFPLVQZNUDF-UHFFFAOYSA-N 0 0 442.466 6.122 50 0 IKAARN COc1cccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)c1 ZINC000033022012 556687058 /nfs/dbraw/zinc/68/70/58/556687058.db2.gz CSDXRGPUAUBIKU-UHFFFAOYSA-N 0 0 444.438 5.513 50 0 IKAARN C[C@H]1CC[C@@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018247284 556688124 /nfs/dbraw/zinc/68/81/24/556688124.db2.gz LDALHFVGDABISL-PNHOKKKMSA-N 0 0 443.341 5.032 50 0 IKAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)N[C@H](c3cccs3)C(C)C)c2)s1 ZINC000033022904 556688237 /nfs/dbraw/zinc/68/82/37/556688237.db2.gz FMKCNCZCGNMWBO-IBGZPJMESA-N 0 0 442.610 5.178 50 0 IKAARN CC1CCN(C(=S)Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)CC1 ZINC000018249412 556688226 /nfs/dbraw/zinc/68/82/26/556688226.db2.gz WNISNVFGQFGUQT-UHFFFAOYSA-N 0 0 429.010 5.957 50 0 IKAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)NCCc1ccccc1 ZINC000018254479 556688427 /nfs/dbraw/zinc/68/84/27/556688427.db2.gz CFRYEQCHMAFNCF-UHFFFAOYSA-N 0 0 448.975 5.300 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)C1c3ccccc3C2c2ccccc21 ZINC000018285287 556689148 /nfs/dbraw/zinc/68/91/48/556689148.db2.gz SEXLYWQKHFRDOA-SALAOISXSA-N 0 0 427.503 5.750 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(F)(F)F)c4)nccn3n2)cc1 ZINC000046005268 556689343 /nfs/dbraw/zinc/68/93/43/556689343.db2.gz SXBUEEZFWNCZMP-UHFFFAOYSA-N 0 0 442.466 5.454 50 0 IKAARN O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cccc(C(F)(F)F)c1 ZINC000046005340 556689394 /nfs/dbraw/zinc/68/93/94/556689394.db2.gz MKDYHTRAIHWYPD-UHFFFAOYSA-N 0 0 446.429 5.285 50 0 IKAARN CCc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)cc1 ZINC000046005305 556689420 /nfs/dbraw/zinc/68/94/20/556689420.db2.gz IFHJOYAZCXIBDB-UHFFFAOYSA-N 0 0 438.556 5.843 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1cccc(C)c1 ZINC000046005892 556689840 /nfs/dbraw/zinc/68/98/40/556689840.db2.gz ACBGTXYYYRKQOR-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000046005886 556689861 /nfs/dbraw/zinc/68/98/61/556689861.db2.gz PIMOTBXATBKCGC-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1 ZINC000046005901 556690075 /nfs/dbraw/zinc/69/00/75/556690075.db2.gz RJNHRJQBOXOFJC-UHFFFAOYSA-N 0 0 428.536 5.316 50 0 IKAARN O=C(C(C(=O)c1ccccc1)=C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000001024132 556690239 /nfs/dbraw/zinc/69/02/39/556690239.db2.gz FNJPVNIUVIVZEV-UHFFFAOYSA-N 0 0 444.486 5.815 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1C ZINC000046006476 556690403 /nfs/dbraw/zinc/69/04/03/556690403.db2.gz SSYWQUNVPVIFHC-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1cccc(C)c1C ZINC000046006739 556690595 /nfs/dbraw/zinc/69/05/95/556690595.db2.gz ODVCEHRCARIZOX-UHFFFAOYSA-N 0 0 446.526 5.373 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(C)cc1C ZINC000046006504 556690633 /nfs/dbraw/zinc/69/06/33/556690633.db2.gz HOBBTZRKFCPGAO-UHFFFAOYSA-N 0 0 442.563 5.543 50 0 IKAARN Cn1c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009392 556690917 /nfs/dbraw/zinc/69/09/17/556690917.db2.gz QJTQHEMMBOVVMS-UHFFFAOYSA-N 0 0 440.862 5.106 50 0 IKAARN Cc1cccc(C)c1NC(=O)Cc1c(C)nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1C ZINC000046023887 556691112 /nfs/dbraw/zinc/69/11/12/556691112.db2.gz ZNOXCLYMIHPQIG-UHFFFAOYSA-N 0 0 441.579 5.504 50 0 IKAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2C)cc1C ZINC000046023889 556691202 /nfs/dbraw/zinc/69/12/02/556691202.db2.gz NDVSRECYSFMRLS-UHFFFAOYSA-N 0 0 441.579 5.504 50 0 IKAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000046141486 556692966 /nfs/dbraw/zinc/69/29/66/556692966.db2.gz ZWJHOXYKZFVHGK-UHFFFAOYSA-N 0 0 447.557 5.081 50 0 IKAARN BrC12CC3(Br)CC(c4ccccc4)(C1)CC(c1ccccc1)(C2)C3 ZINC000071782747 556694149 /nfs/dbraw/zinc/69/41/49/556694149.db2.gz QQTNYTCQTYDSQT-UHFFFAOYSA-N 0 0 446.226 6.511 50 0 IKAARN Cc1cc(C(=O)Nc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2Cl)on1 ZINC000072313712 556694187 /nfs/dbraw/zinc/69/41/87/556694187.db2.gz RXSDECNICHGWSD-UHFFFAOYSA-N 0 0 431.677 5.195 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1OC ZINC000033025109 556698339 /nfs/dbraw/zinc/69/83/39/556698339.db2.gz ATQHOUIZHYHMDS-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)NCc4ccc(Cl)cc4)c3)n2)c1 ZINC000033025127 556698379 /nfs/dbraw/zinc/69/83/79/556698379.db2.gz XNRDLDLPDUCJSH-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)c(OC)c1 ZINC000033025120 556698429 /nfs/dbraw/zinc/69/84/29/556698429.db2.gz WNERKFZHRSRKCE-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c(OC)c1 ZINC000033025188 556698489 /nfs/dbraw/zinc/69/84/89/556698489.db2.gz AVZKWASNBUNSAJ-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033025184 556698525 /nfs/dbraw/zinc/69/85/25/556698525.db2.gz ZGRYTFZSBQCNFA-KRWDZBQOSA-N 0 0 442.494 5.526 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025201 556699322 /nfs/dbraw/zinc/69/93/22/556699322.db2.gz FZUZGGXWVXXPHL-LJQANCHMSA-N 0 0 440.522 5.777 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1Cl ZINC000033025350 556699339 /nfs/dbraw/zinc/69/93/39/556699339.db2.gz LKOQEMALDHJZCN-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN CCOc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025330 556699410 /nfs/dbraw/zinc/69/94/10/556699410.db2.gz ZVBWPHIAFOISGU-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025363 556699577 /nfs/dbraw/zinc/69/95/77/556699577.db2.gz ZDKFGIWOMYEVAJ-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)N[C@H](C)CCc4ccccc4)c3)n2)cc1 ZINC000033025289 556699658 /nfs/dbraw/zinc/69/96/58/556699658.db2.gz VAJSJXZHWBTAIO-OAQYLSRUSA-N 0 0 436.559 5.947 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025365 556699673 /nfs/dbraw/zinc/69/96/73/556699673.db2.gz FWOKSUXMROMMHQ-IBGZPJMESA-N 0 0 440.522 5.777 50 0 IKAARN CC(=O)c1cc(OC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000000825820 556699804 /nfs/dbraw/zinc/69/98/04/556699804.db2.gz GRQJDRIIJCWPSE-UHFFFAOYSA-N 0 0 429.255 5.634 50 0 IKAARN C[C@@H](c1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccc(Cl)cc1)N(C)C ZINC000024297326 556700681 /nfs/dbraw/zinc/70/06/81/556700681.db2.gz YIFDNPHTOCPVSO-HNNXBMFYSA-N 0 0 439.972 5.491 50 0 IKAARN CCC(=O)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C1CCCCC1 ZINC000004606628 556703206 /nfs/dbraw/zinc/70/32/06/556703206.db2.gz AGJGSFLQGIWSGQ-UHFFFAOYSA-N 0 0 430.589 5.296 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000033026468 556703481 /nfs/dbraw/zinc/70/34/81/556703481.db2.gz RDYVVVJTYQFYQS-UHFFFAOYSA-N 0 0 444.560 5.556 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1C ZINC000033026569 556703543 /nfs/dbraw/zinc/70/35/43/556703543.db2.gz KHHSUEHLKRKKJL-UHFFFAOYSA-N 0 0 430.533 5.248 50 0 IKAARN CCCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026812 556703710 /nfs/dbraw/zinc/70/37/10/556703710.db2.gz REJWUNZIKDUZIU-UHFFFAOYSA-N 0 0 437.503 5.589 50 0 IKAARN O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1 ZINC000049587145 556707243 /nfs/dbraw/zinc/70/72/43/556707243.db2.gz NNVNDLCNXISESU-UHFFFAOYSA-N 0 0 425.484 5.597 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC([C@H](O)c2ccccn2)CC1 ZINC000019147427 556707241 /nfs/dbraw/zinc/70/72/41/556707241.db2.gz NWRTZBYKDZKCLG-NRFANRHFSA-N 0 0 431.458 5.009 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccccc1F ZINC000013659725 556708225 /nfs/dbraw/zinc/70/82/25/556708225.db2.gz NSCNRUHMLAWIIP-AHKZPQOWSA-N 0 0 441.587 5.736 50 0 IKAARN CCOc1ccc(-c2nc(CC(=O)Nc3ccnc(Sc4ccccn4)c3)cs2)cc1 ZINC000060340594 556709269 /nfs/dbraw/zinc/70/92/69/556709269.db2.gz YYAPQSVOUKFNFH-UHFFFAOYSA-N 0 0 448.573 5.331 50 0 IKAARN COc1cc([C@H](C)NC(=O)c2cc(Br)cnc2Cl)ccc1OCC(C)C ZINC000060341567 556712597 /nfs/dbraw/zinc/71/25/97/556712597.db2.gz FVROXPRGDDCKME-LBPRGKRZSA-N 0 0 441.753 5.032 50 0 IKAARN O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc(Br)cnc1Cl ZINC000060342606 556713167 /nfs/dbraw/zinc/71/31/67/556713167.db2.gz YNTUCNGTDQISAA-UHFFFAOYSA-N 0 0 435.680 5.468 50 0 IKAARN COc1cccc(-c2nc(CN3CCC(Oc4ccccc4Cl)CC3)c(C)o2)c1OC ZINC000019218506 556713370 /nfs/dbraw/zinc/71/33/70/556713370.db2.gz NLVWFPPOTKPBAH-UHFFFAOYSA-N 0 0 442.943 5.364 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033034666 556716787 /nfs/dbraw/zinc/71/67/87/556716787.db2.gz YRPJXFAZJPGPJZ-HSZRJFAPSA-N 0 0 434.580 5.168 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)N4CCC(C)CC4)c3)C2)cc1 ZINC000033035103 556717682 /nfs/dbraw/zinc/71/76/82/556717682.db2.gz BZRPRFKGGNAZFP-QHCPKHFHSA-N 0 0 449.595 5.369 50 0 IKAARN Cc1ccc(NC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)cc1 ZINC000033035436 556717743 /nfs/dbraw/zinc/71/77/43/556717743.db2.gz YOUFRAYMRZAEBS-NRFANRHFSA-N 0 0 447.966 6.312 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCCCCC4)c3)C2)cc1 ZINC000033035095 556717795 /nfs/dbraw/zinc/71/77/95/556717795.db2.gz JGJFAEFCUCDHGU-HSZRJFAPSA-N 0 0 449.595 5.513 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccc(C)o4)c3)C2)cc1 ZINC000033035601 556717997 /nfs/dbraw/zinc/71/79/97/556717997.db2.gz ATOCHODKKZIISQ-QHCPKHFHSA-N 0 0 445.563 5.492 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035662 556718384 /nfs/dbraw/zinc/71/83/84/556718384.db2.gz VLJNYUTWXLZSBW-QFIPXVFZSA-N 0 0 447.966 5.682 50 0 IKAARN COc1ccc2[nH]cc(CCNC(=O)c3cc(C)nc4c(-c5ccccc5)cccc34)c2c1 ZINC000033036706 556719707 /nfs/dbraw/zinc/71/97/07/556719707.db2.gz XMDQDINCAQLPKQ-UHFFFAOYSA-N 0 0 435.527 5.673 50 0 biogenic IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(F)cc2C)cc1 ZINC000033037110 556720431 /nfs/dbraw/zinc/72/04/31/556720431.db2.gz STXSKJDTYWFVDO-UHFFFAOYSA-N 0 0 442.494 5.506 50 0 IKAARN CCN(C(=O)c1ccc(-n2nc(C)c(-c3ccccc3)c2NC(C)=O)cc1)c1ccccc1 ZINC000033037026 556720782 /nfs/dbraw/zinc/72/07/82/556720782.db2.gz OONQULSLHJLSLK-UHFFFAOYSA-N 0 0 438.531 5.473 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000033037062 556721116 /nfs/dbraw/zinc/72/11/16/556721116.db2.gz IJULGUUXRGAIPF-UHFFFAOYSA-N 0 0 430.552 5.211 50 0 IKAARN O=c1c2c3c(sc2nc(NN=Cc2ccc(Cl)cc2)n1C1CCCCC1)CCCC3 ZINC000033891863 556722001 /nfs/dbraw/zinc/72/20/01/556722001.db2.gz NNIKZWXCCWWWAT-UHFFFAOYSA-N 0 0 441.000 5.941 50 0 IKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000033037170 556722159 /nfs/dbraw/zinc/72/21/59/556722159.db2.gz XETPTGSSHFQQQA-GOSISDBHSA-N 0 0 430.552 5.129 50 0 IKAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000033037312 556722688 /nfs/dbraw/zinc/72/26/88/556722688.db2.gz ITMOTZLPKOXTNI-UHFFFAOYSA-N 0 0 442.494 5.506 50 0 IKAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(C(C)C)cc4)ccc3[nH]2)cc1 ZINC000033037472 556723000 /nfs/dbraw/zinc/72/30/00/556723000.db2.gz FFLCUHSAQAKUKN-UHFFFAOYSA-N 0 0 440.547 5.682 50 0 IKAARN O=C(/C=C\c1ccccc1)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000033909664 556723717 /nfs/dbraw/zinc/72/37/17/556723717.db2.gz QDQCIPKXNJWKEF-HWYHOQROSA-N 0 0 438.569 5.931 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1Cl ZINC000033038157 556724007 /nfs/dbraw/zinc/72/40/07/556724007.db2.gz JKVRBNJNBHJFJX-UHFFFAOYSA-N 0 0 446.938 5.682 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1F ZINC000033038213 556724588 /nfs/dbraw/zinc/72/45/88/556724588.db2.gz SPLISJFVWHVZIK-UHFFFAOYSA-N 0 0 430.483 5.168 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000072328475 556725935 /nfs/dbraw/zinc/72/59/35/556725935.db2.gz FPLDXJQMAHJWKT-UHFFFAOYSA-N 0 0 432.326 5.919 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000072328478 556725955 /nfs/dbraw/zinc/72/59/55/556725955.db2.gz NIABCDOKKMRHGI-UHFFFAOYSA-N 0 0 447.888 6.145 50 0 IKAARN Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000011143118 556728690 /nfs/dbraw/zinc/72/86/90/556728690.db2.gz WFYGMTCNVPFASA-LBPRGKRZSA-N 0 0 441.405 6.107 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000013775037 556730729 /nfs/dbraw/zinc/73/07/29/556730729.db2.gz XYUDXRXUPNUPII-RDPSFJRHSA-N 0 0 444.015 6.471 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000013775033 556730755 /nfs/dbraw/zinc/73/07/55/556730755.db2.gz XYUDXRXUPNUPII-YKSBVNFPSA-N 0 0 444.015 6.471 50 0 IKAARN O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1ccc(F)cc1Br ZINC000060354059 556730943 /nfs/dbraw/zinc/73/09/43/556730943.db2.gz HCTZMELLVGSRTB-UHFFFAOYSA-N 0 0 437.272 5.293 50 0 IKAARN Cc1nn2c(ncc(C(=O)NCc3ccc(Cl)cc3)c2C(F)(F)F)c1-c1ccccc1 ZINC000033039940 556731751 /nfs/dbraw/zinc/73/17/51/556731751.db2.gz SQAVZYXGMQXXFC-UHFFFAOYSA-N 0 0 444.844 5.307 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)CCCC3 ZINC000033040726 556732370 /nfs/dbraw/zinc/73/23/70/556732370.db2.gz PAYAPQNIBUQUPM-JOCHJYFZSA-N 0 0 440.012 6.096 50 0 IKAARN COc1cccc(-n2c(CN(C)Cc3cccc4cccnc43)nnc2SCC(C)C)c1 ZINC000055089839 556734414 /nfs/dbraw/zinc/73/44/14/556734414.db2.gz INXMSNJYYVCXCD-UHFFFAOYSA-N 0 0 447.608 5.204 50 0 IKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000019295584 556734535 /nfs/dbraw/zinc/73/45/35/556734535.db2.gz FKPCPHASYCUHHI-UHFFFAOYSA-N 0 0 426.925 5.686 50 0 IKAARN CCOc1ccccc1-c1nc(CN2CCN(c3cc(Cl)ccc3C)CC2)c(C)o1 ZINC000055119326 556735355 /nfs/dbraw/zinc/73/53/55/556735355.db2.gz UIYVVAZQLUOTNI-UHFFFAOYSA-N 0 0 425.960 5.333 50 0 IKAARN CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccs1)CCCC3 ZINC000033042766 556735751 /nfs/dbraw/zinc/73/57/51/556735751.db2.gz FAWVILLIKNAMQB-JOCHJYFZSA-N 0 0 439.650 6.140 50 0 IKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(F)ccc1F)CCCC3 ZINC000033042916 556735898 /nfs/dbraw/zinc/73/58/98/556735898.db2.gz VZDDIOSKDWOIBW-IBGZPJMESA-N 0 0 427.520 6.195 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)cc1F ZINC000033042822 556736022 /nfs/dbraw/zinc/73/60/22/556736022.db2.gz ZIBZWGFKHYJZJZ-QHCPKHFHSA-N 0 0 437.584 6.610 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019324637 556736440 /nfs/dbraw/zinc/73/64/40/556736440.db2.gz JHRPFNJUNHVWBL-UHFFFAOYSA-N 0 0 442.994 5.851 50 0 IKAARN Ic1ccc(Oc2ncnc3sc(-c4ccccc4)cc32)cn1 ZINC000079106207 556737438 /nfs/dbraw/zinc/73/74/38/556737438.db2.gz JDQZBULOBGAALG-UHFFFAOYSA-N 0 0 431.258 5.150 50 0 IKAARN Brc1ccc(-c2csc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000055214640 556737892 /nfs/dbraw/zinc/73/78/92/556737892.db2.gz PSPLFOKUVODUJI-QPJJXVBHSA-N 0 0 440.410 5.408 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1[C@H](NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000071405255 556737919 /nfs/dbraw/zinc/73/79/19/556737919.db2.gz MTODPSRLZOQMPW-LJQANCHMSA-N 0 0 428.323 5.058 50 0 IKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc2c1CCCC2)CCCC3 ZINC000033043013 556738273 /nfs/dbraw/zinc/73/82/73/556738273.db2.gz XTCCHDLTFRGXBV-KRWDZBQOSA-N 0 0 431.605 6.405 50 0 IKAARN O=C(Nc1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccccc1Cl ZINC000000888018 556739076 /nfs/dbraw/zinc/73/90/76/556739076.db2.gz QXBFDBDVGRUHSM-UHFFFAOYSA-N 0 0 430.685 5.574 50 0 IKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cc2ccccc2o1 ZINC000055545144 556741896 /nfs/dbraw/zinc/74/18/96/556741896.db2.gz NTUHTDJBXGWTSP-UHFFFAOYSA-N 0 0 429.495 5.146 50 0 IKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cc2ccccc2o1 ZINC000055529216 556741904 /nfs/dbraw/zinc/74/19/04/556741904.db2.gz FKTPCVQURMDDSP-UHFFFAOYSA-N 0 0 445.950 5.661 50 0 IKAARN Cc1ccc2nc(CSCC(=O)Nc3ccccc3Sc3ccccc3)cc(=O)n2c1 ZINC000033047560 556743219 /nfs/dbraw/zinc/74/32/19/556743219.db2.gz LTFLZNUNMHUVBC-UHFFFAOYSA-N 0 0 447.585 5.026 50 0 IKAARN O=C1COc2ccc(-c3cc(-c4ccccc4)c4c(n3)-c3cc(Cl)ccc3OC4)cc2N1 ZINC000013828494 556744386 /nfs/dbraw/zinc/74/43/86/556744386.db2.gz FOERQDQWRHNLOB-UHFFFAOYSA-N 0 0 440.886 5.959 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000033939492 556746153 /nfs/dbraw/zinc/74/61/53/556746153.db2.gz WBKNHCQLPMRUBW-JTFXRCSXSA-N 0 0 426.947 6.777 50 0 IKAARN COc1ccc([C@H](NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C(C)C)cc1OC ZINC000604418809 556746680 /nfs/dbraw/zinc/74/66/80/556746680.db2.gz FIEISPJWWPEVGB-XMSQKQJNSA-N 0 0 439.581 5.557 50 0 IKAARN COc1ccc([C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000604418928 556746906 /nfs/dbraw/zinc/74/69/06/556746906.db2.gz RJJUTPSMBSETMR-OFNKIYASSA-N 0 0 436.556 5.214 50 0 IKAARN O=C(CSCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl ZINC000014162140 556749713 /nfs/dbraw/zinc/74/97/13/556749713.db2.gz UYADXTNEYCRAJU-UHFFFAOYSA-N 0 0 438.163 5.611 50 0 IKAARN Clc1ccc(OCc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c(Cl)c1 ZINC000072333573 556749912 /nfs/dbraw/zinc/74/99/12/556749912.db2.gz LLTKLLQTWDSVAC-UHFFFAOYSA-N 0 0 435.380 5.539 50 0 IKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000057987215 556750502 /nfs/dbraw/zinc/75/05/02/556750502.db2.gz FOMCJCKBNXPKDM-XUZZJYLKSA-N 0 0 446.620 5.244 50 0 IKAARN CCCCCC[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000072332629 556750837 /nfs/dbraw/zinc/75/08/37/556750837.db2.gz ADHFDROAWBZRKA-JTHBVZDNSA-N 0 0 427.386 6.679 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000072332624 556750999 /nfs/dbraw/zinc/75/09/99/556750999.db2.gz PXJJKLJKCJJZCP-HOFKKMOUSA-N 0 0 436.536 6.168 50 0 IKAARN COc1ccc(CCN(C)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1OC ZINC000058010623 556753098 /nfs/dbraw/zinc/75/30/98/556753098.db2.gz HHKOZMZTRNTEKU-RTBURBONSA-N 0 0 436.577 5.064 50 0 IKAARN Cc1c2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)s3)sc2ccc1Cl ZINC000011159925 556753204 /nfs/dbraw/zinc/75/32/04/556753204.db2.gz AMDPWTQGZSPWHA-NSHDSACASA-N 0 0 427.378 5.799 50 0 IKAARN C[C@H](NC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl ZINC000058031983 556755168 /nfs/dbraw/zinc/75/51/68/556755168.db2.gz CLIIADXZFLHZJQ-AWEZNQCLSA-N 0 0 425.319 5.665 50 0 IKAARN COc1c(Br)cc(Cl)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058063318 556756251 /nfs/dbraw/zinc/75/62/51/556756251.db2.gz MVINZLPJYGLRDD-UHFFFAOYSA-N 0 0 448.748 5.095 50 0 IKAARN CC(=O)N(c1nn(CN([C@H](C)c2cccc3ccccc32)C2CC2)c(=S)s1)C1CC1 ZINC000058080526 556756784 /nfs/dbraw/zinc/75/67/84/556756784.db2.gz LSTZRWUNLQZCCZ-OAHLLOKOSA-N 0 0 438.622 5.526 50 0 IKAARN CC(=O)N(c1nn(CN([C@@H](C)c2cccc3ccccc32)C2CC2)c(=S)s1)C1CC1 ZINC000058080518 556756801 /nfs/dbraw/zinc/75/68/01/556756801.db2.gz LSTZRWUNLQZCCZ-HNNXBMFYSA-N 0 0 438.622 5.526 50 0 IKAARN Cc1noc(C)c1C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000058082991 556756936 /nfs/dbraw/zinc/75/69/36/556756936.db2.gz SYHYYUIBUPXRIP-UHFFFAOYSA-N 0 0 430.233 5.254 50 0 IKAARN CCc1ccc(OC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)cc1 ZINC000058094748 556757570 /nfs/dbraw/zinc/75/75/70/556757570.db2.gz XUSSIPZPSCMLCD-UHFFFAOYSA-N 0 0 434.499 5.323 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000058111912 556758988 /nfs/dbraw/zinc/75/89/88/556758988.db2.gz JSIOCEUSNBILDZ-UHFFFAOYSA-N 0 0 425.529 5.204 50 0 IKAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2ccc(C)cc2)n1)CC(C)(C)OC3 ZINC000002235818 556760094 /nfs/dbraw/zinc/76/00/94/556760094.db2.gz FYIFXCFNEJCYMD-UHFFFAOYSA-N 0 0 445.635 5.304 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000058149328 556761969 /nfs/dbraw/zinc/76/19/69/556761969.db2.gz ADCWZOHNRCCLQQ-SANMLTNESA-N 0 0 429.564 5.171 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000058149324 556762013 /nfs/dbraw/zinc/76/20/13/556762013.db2.gz ADCWZOHNRCCLQQ-AREMUKBSSA-N 0 0 429.564 5.171 50 0 IKAARN CCc1c(C(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cnn1-c1ccc(F)cc1 ZINC000058155174 556762550 /nfs/dbraw/zinc/76/25/50/556762550.db2.gz MEMUJAZTNDSXOB-UHFFFAOYSA-N 0 0 449.530 5.234 50 0 IKAARN CCCCCCc1cc(-c2n[nH]cc2-c2ccc(Br)cc2)c(O)cc1OC ZINC000005297541 556762909 /nfs/dbraw/zinc/76/29/09/556762909.db2.gz TYVIOQVYLZSVKU-UHFFFAOYSA-N 0 0 429.358 6.343 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OCCCC)cc3)on2)cc1 ZINC000061997116 556763338 /nfs/dbraw/zinc/76/33/38/556763338.db2.gz PMQBWOMCJUGUDC-UHFFFAOYSA-N 0 0 436.508 5.730 50 0 IKAARN Cc1cc2oc(=O)cc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2cc1Cl ZINC000058158800 556763527 /nfs/dbraw/zinc/76/35/27/556763527.db2.gz KAHFDQWOFSPIKA-UHFFFAOYSA-N 0 0 436.861 5.096 50 0 IKAARN Cc1ccc(Cl)cc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000058159031 556763577 /nfs/dbraw/zinc/76/35/77/556763577.db2.gz KPGBVJQDJNRORE-UHFFFAOYSA-N 0 0 439.342 6.148 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN([C@H]3CCCc4ccccc43)CO2)cc1 ZINC000061997670 556763743 /nfs/dbraw/zinc/76/37/43/556763743.db2.gz TWDFNNAPLBAZMC-VWLOTQADSA-N 0 0 439.511 5.698 50 0 biogenic IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@H]1c1ccccc1C ZINC000058161651 556765516 /nfs/dbraw/zinc/76/55/16/556765516.db2.gz GNFDMDYOOFOFTA-VWLOTQADSA-N 0 0 449.554 5.900 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC000058163287 556766167 /nfs/dbraw/zinc/76/61/67/556766167.db2.gz BXJFRLIRUMRVPH-DEOSSOPVSA-N 0 0 435.955 5.207 50 0 IKAARN C[C@@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000058168064 556767403 /nfs/dbraw/zinc/76/74/03/556767403.db2.gz ZMRBRVAUKGKARL-LJQANCHMSA-N 0 0 428.532 5.348 50 0 IKAARN COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H]3c3nc4ccccc4s3)cc2)cc1 ZINC000058169679 556767659 /nfs/dbraw/zinc/76/76/59/556767659.db2.gz VJLXNBPWOCOYHR-HSZRJFAPSA-N 0 0 443.572 5.894 50 0 IKAARN O=C(Nc1nnc(C2CCCCC2)s1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000058170962 556767939 /nfs/dbraw/zinc/76/79/39/556767939.db2.gz IJROXVKPGXLEEZ-QGZVFWFLSA-N 0 0 430.624 5.888 50 0 IKAARN CN(Cc1ccccc1Cl)C(=O)c1oc2ccccc2c1CSc1nccn1C ZINC000058194437 556770330 /nfs/dbraw/zinc/77/03/30/556770330.db2.gz NEBOFQVGNRCWSL-UHFFFAOYSA-N 0 0 425.941 5.384 50 0 IKAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccsc3c2=O)cc1 ZINC000206598281 556770455 /nfs/dbraw/zinc/77/04/55/556770455.db2.gz BQXIHFKIAOXRCR-UHFFFAOYSA-N 0 0 449.601 5.162 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000058196733 556770530 /nfs/dbraw/zinc/77/05/30/556770530.db2.gz NAWGJBIOVYWOSY-HSZRJFAPSA-N 0 0 443.963 5.831 50 0 IKAARN COc1ccc([C@H]2CC(c3c(C)nc4ccccc4c3-c3ccccc3)=NN2C(C)=O)cc1 ZINC000058196725 556770573 /nfs/dbraw/zinc/77/05/73/556770573.db2.gz ULUUIGTZBHDRQR-AREMUKBSSA-N 0 0 435.527 5.916 50 0 IKAARN O=C(N1CCc2[nH]c3c(cccc3Br)c2C1)C1(c2ccc(F)cc2)CCC1 ZINC000058217183 556772823 /nfs/dbraw/zinc/77/28/23/556772823.db2.gz KMIDPBGKXFPJJX-UHFFFAOYSA-N 0 0 427.317 5.076 50 0 IKAARN C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(OCc2ccccn2)c1 ZINC000058218292 556772895 /nfs/dbraw/zinc/77/28/95/556772895.db2.gz CPRIZLIEZXTLLW-LJQANCHMSA-N 0 0 441.556 5.698 50 0 IKAARN CC(=O)c1ccc(N2CCN([C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)cc1 ZINC000058219012 556773298 /nfs/dbraw/zinc/77/32/98/556773298.db2.gz PEZAFOPWWJHLQD-HHHXNRCGSA-N 0 0 441.575 5.008 50 0 IKAARN Cc1nccn1-c1ccc(CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1F ZINC000072032908 556775859 /nfs/dbraw/zinc/77/58/59/556775859.db2.gz OUEWIPPYMIGYSS-UHFFFAOYSA-N 0 0 442.853 5.006 50 0 IKAARN CC(C)C[C@H](C)N(C(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc2[nH]ccc2c1 ZINC000058266399 556776813 /nfs/dbraw/zinc/77/68/13/556776813.db2.gz BZKRMXLSTVUEAG-SFHVURJKSA-N 0 0 433.552 5.363 50 0 IKAARN CCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1C ZINC000058268792 556776961 /nfs/dbraw/zinc/77/69/61/556776961.db2.gz UNMZXDOLXQFFLI-SANMLTNESA-N 0 0 433.555 6.606 50 0 IKAARN Cc1csc(Sc2ccc(NC(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c(C)c2)n1 ZINC000058313349 556780098 /nfs/dbraw/zinc/78/00/98/556780098.db2.gz NOVOUDWGPRITTC-GOSISDBHSA-N 0 0 429.615 5.344 50 0 IKAARN Cc1csc(Sc2ccc(NC(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c(C)c2)n1 ZINC000058313347 556780110 /nfs/dbraw/zinc/78/01/10/556780110.db2.gz NOVOUDWGPRITTC-SFHVURJKSA-N 0 0 429.615 5.344 50 0 IKAARN CC(C)c1nc(CCNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cs1 ZINC000058323860 556780647 /nfs/dbraw/zinc/78/06/47/556780647.db2.gz NFLSDHVMVHKMCI-UHFFFAOYSA-N 0 0 435.524 5.700 50 0 IKAARN O=C(NC[C@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1)Nc1cccc(F)c1 ZINC000058323890 556780655 /nfs/dbraw/zinc/78/06/55/556780655.db2.gz YVYXCPUFJNZRAH-MRXNPFEDSA-N 0 0 449.979 5.022 50 0 IKAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000058331343 556781569 /nfs/dbraw/zinc/78/15/69/556781569.db2.gz YWMDWVJRWZCEBX-JTSKRJEESA-N 0 0 427.504 5.094 50 0 IKAARN O=C(Nc1ccc(Cl)cc1F)NC1(c2cccc(Br)c2)CCOCC1 ZINC000058356978 556782637 /nfs/dbraw/zinc/78/26/37/556782637.db2.gz SIVRLRGYROOEQF-UHFFFAOYSA-N 0 0 427.701 5.069 50 0 IKAARN Cc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1C(=O)N1CCCC1 ZINC000058371002 556783682 /nfs/dbraw/zinc/78/36/82/556783682.db2.gz UYOSZEYBKVTAKB-UHFFFAOYSA-N 0 0 447.149 5.492 50 0 IKAARN CC(C)c1nnc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)s1 ZINC000058377950 556784048 /nfs/dbraw/zinc/78/40/48/556784048.db2.gz ANVAVRPGOHBVDN-UHFFFAOYSA-N 0 0 437.294 5.003 50 0 IKAARN Cc1nnc([C@@H](Nc2ncnc3scc(-c4ccc(C)c(C)c4)c32)c2ccccc2)n1C ZINC000058378492 556784384 /nfs/dbraw/zinc/78/43/84/556784384.db2.gz XIFWYYJELZHSMD-QFIPXVFZSA-N 0 0 440.576 5.614 50 0 IKAARN CN(Cc1cccc2ccccc21)C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000058381087 556784468 /nfs/dbraw/zinc/78/44/68/556784468.db2.gz WOBDGHOCHLBLMH-FQEVSTJZSA-N 0 0 444.478 5.320 50 0 IKAARN O=C(NCCc1nnc2n1CCCCC2)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000058382219 556784510 /nfs/dbraw/zinc/78/45/10/556784510.db2.gz NZSBNHXWBRMHQA-UHFFFAOYSA-N 0 0 435.380 5.012 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCCc4cc(F)cc(F)c43)c12 ZINC000058381767 556784590 /nfs/dbraw/zinc/78/45/90/556784590.db2.gz WLGLQBTVDSRCLD-UHFFFAOYSA-N 0 0 426.511 5.489 50 0 IKAARN c1coc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000058391755 556784896 /nfs/dbraw/zinc/78/48/96/556784896.db2.gz WGNBFXLKRVXXEV-KRWDZBQOSA-N 0 0 435.530 5.592 50 0 IKAARN COc1ccc(CSc2nnc3sc4ccccc4n23)c(Br)c1OC ZINC000058391933 556784904 /nfs/dbraw/zinc/78/49/04/556784904.db2.gz BJJLKGYTYVYVQG-UHFFFAOYSA-N 0 0 436.356 5.016 50 0 IKAARN Cc1[nH]c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(C)c1C(=O)OC(C)C ZINC000058404336 556785653 /nfs/dbraw/zinc/78/56/53/556785653.db2.gz FAMQAMYYYDVZJE-UHFFFAOYSA-N 0 0 443.931 5.011 50 0 IKAARN Cc1nc(SCc2csc(-c3ccc(C(N)=O)cc3)n2)n(C2CCCCC2)c1C ZINC000058406087 556785884 /nfs/dbraw/zinc/78/58/84/556785884.db2.gz PZSJVMDGYGHEGU-UHFFFAOYSA-N 0 0 426.611 5.520 50 0 IKAARN C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCc2sccc2C1 ZINC000058415292 556786529 /nfs/dbraw/zinc/78/65/29/556786529.db2.gz KCXCRIWNKGVDED-CYBMUJFWSA-N 0 0 448.375 5.628 50 0 IKAARN O=C(NC1(c2ccccc2)CCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000058435602 556788456 /nfs/dbraw/zinc/78/84/56/556788456.db2.gz KYCXQUIXAMGPPV-UHFFFAOYSA-N 0 0 437.893 5.166 50 0 IKAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccccc2Cl)CC1 ZINC000058493528 556789427 /nfs/dbraw/zinc/78/94/27/556789427.db2.gz JYSCWAZNJWOJIC-CQSZACIVSA-N 0 0 436.865 5.292 50 0 IKAARN Cc1nn(C)c(C)c1CCC(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000058476090 556789552 /nfs/dbraw/zinc/78/95/52/556789552.db2.gz DRCYLCFGIWVWBU-UHFFFAOYSA-N 0 0 444.604 5.369 50 0 IKAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)s1 ZINC000058574555 556790296 /nfs/dbraw/zinc/79/02/96/556790296.db2.gz ZWIVOUVKAWGPMG-UHFFFAOYSA-N 0 0 444.560 5.266 50 0 IKAARN Cc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2-c2cc(C)ccc2C)n1 ZINC000058604893 556790594 /nfs/dbraw/zinc/79/05/94/556790594.db2.gz AAUYJGVVZXAMOH-AWEZNQCLSA-N 0 0 425.945 5.749 50 0 IKAARN CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000058700506 556791178 /nfs/dbraw/zinc/79/11/78/556791178.db2.gz RJGSDRWYPIVGEY-UHFFFAOYSA-N 0 0 438.385 5.039 50 0 IKAARN CC(C)[C@@H](CCNC(=O)C[C@@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 ZINC000005398437 556793301 /nfs/dbraw/zinc/79/33/01/556793301.db2.gz LFWUOLPEABZMPN-BWKNWUBXSA-N 0 0 432.004 6.096 50 0 IKAARN CC(C)[C@H](CCNC(=O)C[C@@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 ZINC000005398447 556793372 /nfs/dbraw/zinc/79/33/72/556793372.db2.gz LFWUOLPEABZMPN-OFVILXPXSA-N 0 0 432.004 6.096 50 0 IKAARN O=c1nc(CN(Cc2ccco2)Cc2ccccc2)[nH]c2sc(-c3ccccc3)cc21 ZINC000019535996 556794149 /nfs/dbraw/zinc/79/41/49/556794149.db2.gz CTDZZRBKNQENAJ-UHFFFAOYSA-N 0 0 427.529 5.447 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc2c(Br)cccc12 ZINC000059144043 556795407 /nfs/dbraw/zinc/79/54/07/556795407.db2.gz VTKLERUFAHRZDW-UHFFFAOYSA-N 0 0 442.316 6.398 50 0 IKAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000059300936 556797346 /nfs/dbraw/zinc/79/73/46/556797346.db2.gz LTYXYVYQNDQNQI-UHFFFAOYSA-N 0 0 428.941 5.421 50 0 IKAARN CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc(C)c1-c1ccccc1 ZINC000001921962 556797852 /nfs/dbraw/zinc/79/78/52/556797852.db2.gz ORJZMUROHZTVMC-UHFFFAOYSA-N 0 0 445.993 6.284 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033050449 556798510 /nfs/dbraw/zinc/79/85/10/556798510.db2.gz NDUXPRKSMLVXIR-UHFFFAOYSA-N 0 0 435.980 5.883 50 0 IKAARN Cc1ccc(OCc2nc(CC(=O)Nc3cccc(NC(=O)c4ccco4)c3)cs2)cc1 ZINC000011200894 556798589 /nfs/dbraw/zinc/79/85/89/556798589.db2.gz VEOOCZQWGCBIGD-UHFFFAOYSA-N 0 0 447.516 5.057 50 0 IKAARN CCCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c(OCCC)c1 ZINC000002095463 556798641 /nfs/dbraw/zinc/79/86/41/556798641.db2.gz YYBYQQBRDKSIQE-ODLFYWEKSA-N 0 0 444.871 5.170 50 0 IKAARN O=P(Nc1ccccc1)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000003135499 556804548 /nfs/dbraw/zinc/80/45/48/556804548.db2.gz SMJIXWWLYNPQGU-UHFFFAOYSA-N 0 0 435.886 5.980 50 0 IKAARN Cc1cc(C)c(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)c(C)c1 ZINC000033050484 556798769 /nfs/dbraw/zinc/79/87/69/556798769.db2.gz NNLAURKSEIISKH-UHFFFAOYSA-N 0 0 447.579 5.904 50 0 IKAARN Cc1ccccc1-n1ncc(C(=O)N(C)Cc2ccccc2N2CCCC2)c1C(F)(F)F ZINC000059368583 556798999 /nfs/dbraw/zinc/79/89/99/556798999.db2.gz ZYZZXWQTQSZNAA-UHFFFAOYSA-N 0 0 442.485 5.072 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)C(=O)NC1CC1 ZINC000005415345 556799094 /nfs/dbraw/zinc/79/90/94/556799094.db2.gz NXZNHDFPLBNYDE-INIZCTEOSA-N 0 0 426.630 5.507 50 0 IKAARN C=CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002387635 556799117 /nfs/dbraw/zinc/79/91/17/556799117.db2.gz ZUKVCVMMMQZBSR-DEOSSOPVSA-N 0 0 443.522 5.331 50 0 IKAARN COC(=O)[C@@]1(C)CN(C2=Nc3ccc(Cl)cc3CS2)N=C1c1ccc(Cl)cc1 ZINC000002150752 556799341 /nfs/dbraw/zinc/79/93/41/556799341.db2.gz HXNKMWYPMQLGQW-FQEVSTJZSA-N 0 0 434.348 5.127 50 0 IKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1c(C)cc(C)cc1C)c1ccccc1 ZINC000033050422 556799554 /nfs/dbraw/zinc/79/95/54/556799554.db2.gz AGHIBCICGUDEER-UHFFFAOYSA-N 0 0 443.616 6.155 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c1 ZINC000072401025 556799743 /nfs/dbraw/zinc/79/97/43/556799743.db2.gz LAFFRXBMJHEVGR-XMMPIXPASA-N 0 0 445.563 5.079 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c1 ZINC000072401024 556799787 /nfs/dbraw/zinc/79/97/87/556799787.db2.gz LAFFRXBMJHEVGR-DEOSSOPVSA-N 0 0 445.563 5.079 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000033050507 556800231 /nfs/dbraw/zinc/80/02/31/556800231.db2.gz QWOWNCUOVZIPEE-UHFFFAOYSA-N 0 0 439.943 5.632 50 0 IKAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002617177 556800243 /nfs/dbraw/zinc/80/02/43/556800243.db2.gz IKESYZMLOFYGFG-UHFFFAOYSA-N 0 0 433.813 5.821 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000002617692 556800257 /nfs/dbraw/zinc/80/02/57/556800257.db2.gz LWIZWBVIKTUYOJ-UHFFFAOYSA-N 0 0 434.417 6.363 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000002620416 556800449 /nfs/dbraw/zinc/80/04/49/556800449.db2.gz UBUZYVGHJZVECZ-KRWDZBQOSA-N 0 0 426.516 5.722 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc(F)c(F)c1 ZINC000002619844 556800500 /nfs/dbraw/zinc/80/05/00/556800500.db2.gz LBUXBZMXUMNRBG-UHFFFAOYSA-N 0 0 433.911 5.967 50 0 IKAARN COc1cc(OC)cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 ZINC000002621867 556800571 /nfs/dbraw/zinc/80/05/71/556800571.db2.gz RLXAZRYTLRKKIR-JOCHJYFZSA-N 0 0 439.895 5.202 50 0 IKAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NC[C@H]3CCCO3)c2c1C ZINC000002625615 556800661 /nfs/dbraw/zinc/80/06/61/556800661.db2.gz HXGSMPKOECQWRT-OAHLLOKOSA-N 0 0 443.594 5.060 50 0 IKAARN Cc1nc2sc3c(c2c(SCCOc2ccc(Br)cc2)n1)CC[C@@H](C)C3 ZINC000002626320 556800756 /nfs/dbraw/zinc/80/07/56/556800756.db2.gz RDYCLGPBDSZCGA-GFCCVEGCSA-N 0 0 449.439 6.058 50 0 IKAARN O=C1N=C(Nc2cccc(Br)c2)C(=Cc2cc3ccccc3[nH]c2=O)S1 ZINC000072401600 556800928 /nfs/dbraw/zinc/80/09/28/556800928.db2.gz XVFFHLLLTBPWGO-SXGWCWSVSA-N 0 0 426.295 5.009 50 0 IKAARN CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccccc1 ZINC000002627648 556801169 /nfs/dbraw/zinc/80/11/69/556801169.db2.gz YKDCZFLDFXNCNJ-UHFFFAOYSA-N 0 0 442.588 5.286 50 0 IKAARN O=C(Nc1cccc(Cl)c1)C(=Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 ZINC000002634557 556801252 /nfs/dbraw/zinc/80/12/52/556801252.db2.gz BLRZRDMSYSVMJA-UHFFFAOYSA-N 0 0 429.278 5.793 50 0 IKAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)N1CCCc2ccccc21 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CCCn1c(C)cc(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C ZINC000003278858 556808040 /nfs/dbraw/zinc/80/80/40/556808040.db2.gz IHONUDAOBQIUFC-UHFFFAOYSA-N 0 0 445.997 6.408 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N3CCCCCC3)nc2-c2ccc(C)cc2)cc1 ZINC000003277579 556808118 /nfs/dbraw/zinc/80/81/18/556808118.db2.gz QSAGBRHEIUKFGF-UHFFFAOYSA-N 0 0 432.593 5.317 50 0 IKAARN CC[C@@H](C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC000003285543 556808661 /nfs/dbraw/zinc/80/86/61/556808661.db2.gz XZPKJZRTYYDGKF-HXUWFJFHSA-N 0 0 439.964 6.167 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003286223 556808668 /nfs/dbraw/zinc/80/86/68/556808668.db2.gz WHLNTMWMMFEHKY-UHFFFAOYSA-N 0 0 444.556 5.884 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(OC(F)F)cc3)n2C(C)C)cc1 ZINC000003286125 556808736 /nfs/dbraw/zinc/80/87/36/556808736.db2.gz UYYNNAFJEVNLHK-UHFFFAOYSA-N 0 0 433.480 5.111 50 0 IKAARN Cc1cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C)n1C[C@@H]1CCCO1 ZINC000003302755 556808980 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O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000003324778 556810435 /nfs/dbraw/zinc/81/04/35/556810435.db2.gz PCBUURREGBAWRN-UHFFFAOYSA-N 0 0 444.535 5.293 50 0 IKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCCc1ccc(Cl)cc1Cl ZINC000003325804 556810503 /nfs/dbraw/zinc/81/05/03/556810503.db2.gz LGGDLXXVPCVZJX-UHFFFAOYSA-N 0 0 442.342 5.027 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003326969 556810733 /nfs/dbraw/zinc/81/07/33/556810733.db2.gz CJOHDEVXHABBET-UHFFFAOYSA-N 0 0 430.404 7.349 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCCOc1ccccc1F ZINC000003295028 556810952 /nfs/dbraw/zinc/81/09/52/556810952.db2.gz HHDRLSWIAKCUTP-UHFFFAOYSA-N 0 0 435.882 6.239 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)c1 ZINC000003295519 556810958 /nfs/dbraw/zinc/81/09/58/556810958.db2.gz XQCWNRBBGWGLFS-UHFFFAOYSA-N 0 0 426.611 5.510 50 0 IKAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1CC ZINC000003294863 556810973 /nfs/dbraw/zinc/81/09/73/556810973.db2.gz 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556811941 /nfs/dbraw/zinc/81/19/41/556811941.db2.gz JXCIDHYCCRLMBV-UHFFFAOYSA-N 0 0 434.413 7.384 50 0 IKAARN C[C@@H](OC(=O)COc1cccc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003329355 556812261 /nfs/dbraw/zinc/81/22/61/556812261.db2.gz HPUHSVUKEMRUDV-LJQANCHMSA-N 0 0 441.483 5.581 50 0 IKAARN COc1cc(C=CC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000003372630 556812286 /nfs/dbraw/zinc/81/22/86/556812286.db2.gz XMTODLZRWLZALK-NTEUORMPSA-N 0 0 438.520 5.199 50 0 IKAARN O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccc2c(c1)-c1ccccc1C2 ZINC000003332156 556812527 /nfs/dbraw/zinc/81/25/27/556812527.db2.gz ACZYRUPBXPPCRP-UHFFFAOYSA-N 0 0 431.702 6.258 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(C)nc2ccccc2c1C ZINC000003344702 556813315 /nfs/dbraw/zinc/81/33/15/556813315.db2.gz JIAWHQVFDPSWRQ-UHFFFAOYSA-N 0 0 430.529 6.009 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2c1CC[C@@H](CC)C2 ZINC000003354414 556813765 /nfs/dbraw/zinc/81/37/65/556813765.db2.gz IRUILIXDVIGCHG-SAAWKEMMSA-N 0 0 443.565 5.109 50 0 IKAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000003383968 556814118 /nfs/dbraw/zinc/81/41/18/556814118.db2.gz IRKJGESZGLIHHE-HNNXBMFYSA-N 0 0 427.331 5.666 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)n[nH]2)cc1 ZINC000003408151 556814575 /nfs/dbraw/zinc/81/45/75/556814575.db2.gz MHXLTAFGDIBNDH-UHFFFAOYSA-N 0 0 426.851 5.183 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccccc1F ZINC000003407626 556814614 /nfs/dbraw/zinc/81/46/14/556814614.db2.gz LRIGFAQKUGVDPU-AWEZNQCLSA-N 0 0 444.963 5.972 50 0 IKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1-c1ccccc1 ZINC000003413027 556814677 /nfs/dbraw/zinc/81/46/77/556814677.db2.gz VCZVMWSNFZNPBT-UHFFFAOYSA-N 0 0 433.533 5.729 50 0 IKAARN Cc1cccc(Oc2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000003422926 556814948 /nfs/dbraw/zinc/81/49/48/556814948.db2.gz SMTOLNFWCGARKR-UHFFFAOYSA-N 0 0 439.355 7.077 50 0 IKAARN O=C(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1Nc1ccccc1 ZINC000003417945 556814973 /nfs/dbraw/zinc/81/49/73/556814973.db2.gz MSACTAXXMKHRMI-UHFFFAOYSA-N 0 0 427.887 6.534 50 0 IKAARN O=C(COc1ccc(Br)cc1F)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003447818 556815728 /nfs/dbraw/zinc/81/57/28/556815728.db2.gz LLYCARGEJMPCKL-UHFFFAOYSA-N 0 0 426.591 5.278 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(F)c(F)c3)nnc2-c2ccccc2)cc1 ZINC000003450166 556816052 /nfs/dbraw/zinc/81/60/52/556816052.db2.gz GJEIOZIDNUIULN-UHFFFAOYSA-N 0 0 437.471 5.196 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2C)c2c[nH]c3ccccc32)cc1OC ZINC000033062388 556818004 /nfs/dbraw/zinc/81/80/04/556818004.db2.gz XQKKFNXIUXNBAB-OAQYLSRUSA-N 0 0 443.547 5.756 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccccc2F)c2c[nH]c3ccccc32)cc1OC ZINC000033062413 556818012 /nfs/dbraw/zinc/81/80/12/556818012.db2.gz QUGDLPKPMGZNKG-SFHVURJKSA-N 0 0 433.483 5.278 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033062328 556818032 /nfs/dbraw/zinc/81/80/32/556818032.db2.gz UEGOTVKSBFYYLU-HXUWFJFHSA-N 0 0 449.938 5.792 50 0 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556820331 /nfs/dbraw/zinc/82/03/31/556820331.db2.gz PAWHLLJZZQCEJF-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN Fc1cccc(Cl)c1CN1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000063587559 556821252 /nfs/dbraw/zinc/82/12/52/556821252.db2.gz WDJLFUZXPFNUPN-UHFFFAOYSA-N 0 0 438.959 5.473 50 0 IKAARN CC(C)NC(=O)N1CCCN(C2=Nc3ccc(C(F)(F)F)cc3Oc3ccccc32)CC1 ZINC000096503371 556821796 /nfs/dbraw/zinc/82/17/96/556821796.db2.gz ZGDLYNXQSFFSIK-UHFFFAOYSA-N 0 0 446.473 5.015 50 0 IKAARN COc1ccc2c(c1)C(N1CCCN(C(=O)CC3CCCC3)CC1)=Nc1ccc(C)cc1O2 ZINC000096503365 556821853 /nfs/dbraw/zinc/82/18/53/556821853.db2.gz WSAQOSXGPBYXPM-UHFFFAOYSA-N 0 0 447.579 5.302 50 0 IKAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCCN(C(=O)c2ccccc2)CC1 ZINC000096503432 556821949 /nfs/dbraw/zinc/82/19/49/556821949.db2.gz OKIWNAPTIKRASQ-UHFFFAOYSA-N 0 0 441.531 5.036 50 0 IKAARN CCCCC1CCC(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)CC1 ZINC000033068333 556822036 /nfs/dbraw/zinc/82/20/36/556822036.db2.gz QOQGSRKERTXNPZ-UHFFFAOYSA-N 0 0 447.579 5.517 50 0 IKAARN Cc1cc(OCc2c(C)c(C)cc(C)c2C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000005543706 556823028 /nfs/dbraw/zinc/82/30/28/556823028.db2.gz XZHWQVIVIBXVIZ-UHFFFAOYSA-N 0 0 426.556 6.813 50 0 IKAARN Cc1c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)sc2nc(C3CC3)nc(C)c12 ZINC000022991855 556823058 /nfs/dbraw/zinc/82/30/58/556823058.db2.gz YSWNNNTZOSUJEX-SFHVURJKSA-N 0 0 449.576 5.324 50 0 IKAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000064450464 556823878 /nfs/dbraw/zinc/82/38/78/556823878.db2.gz NRNUXFRTYAFFQI-UHFFFAOYSA-N 0 0 425.535 5.191 50 0 IKAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)c(Br)c1 ZINC000064471865 556824492 /nfs/dbraw/zinc/82/44/92/556824492.db2.gz TXMDIBOTUOLHMQ-UHFFFAOYSA-N 0 0 442.382 5.238 50 0 IKAARN CCc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000064661952 556825707 /nfs/dbraw/zinc/82/57/07/556825707.db2.gz FEMXYPYAIRKOLL-AREMUKBSSA-N 0 0 443.572 5.001 50 0 IKAARN CCc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000064662264 556826150 /nfs/dbraw/zinc/82/61/50/556826150.db2.gz RGEACJFYDVWODK-VWLOTQADSA-N 0 0 435.593 5.133 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000064662226 556826228 /nfs/dbraw/zinc/82/62/28/556826228.db2.gz HJTKAIXYWLYBLQ-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000064662231 556826247 /nfs/dbraw/zinc/82/62/47/556826247.db2.gz HJTKAIXYWLYBLQ-RUZDIDTESA-N 0 0 435.593 5.188 50 0 IKAARN CCc1ccccc1NC(=O)Cc1c(C)nn(-c2nc(-c3ccc(F)cc3)cs2)c1C ZINC000064790254 556826948 /nfs/dbraw/zinc/82/69/48/556826948.db2.gz MFWOPNNWAYYYDT-UHFFFAOYSA-N 0 0 434.540 5.495 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccc(C)c(C)c1 ZINC000064790200 556827037 /nfs/dbraw/zinc/82/70/37/556827037.db2.gz YUHMMAZYUUGOTA-UHFFFAOYSA-N 0 0 430.577 5.719 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000064790198 556827040 /nfs/dbraw/zinc/82/70/40/556827040.db2.gz RJDZMXYNBVAHHS-UHFFFAOYSA-N 0 0 436.968 5.756 50 0 IKAARN CCOc1ccccc1NC(=O)Cc1c(C)nn(-c2nc(-c3ccc(C)cc3)cs2)c1C ZINC000064790214 556827071 /nfs/dbraw/zinc/82/70/71/556827071.db2.gz FAYSNOTULYTOPV-UHFFFAOYSA-N 0 0 446.576 5.501 50 0 IKAARN COc1cccc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)c1 ZINC000064816928 556827575 /nfs/dbraw/zinc/82/75/75/556827575.db2.gz CBPUPITWSRASKG-UHFFFAOYSA-N 0 0 448.548 5.104 50 0 IKAARN Cc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1 ZINC000064816952 556827790 /nfs/dbraw/zinc/82/77/90/556827790.db2.gz UKAHQZHCZUIIMT-UHFFFAOYSA-N 0 0 446.576 5.081 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)N(C)C1CCCCC1 ZINC000033068649 556828076 /nfs/dbraw/zinc/82/80/76/556828076.db2.gz LTYSDBZZUDRSNG-UHFFFAOYSA-N 0 0 435.593 5.112 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccccc2Cl)cc1 ZINC000033068731 556829091 /nfs/dbraw/zinc/82/90/91/556829091.db2.gz AMCKWIVSAMTBES-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000033068737 556829175 /nfs/dbraw/zinc/82/91/75/556829175.db2.gz GTTZBIMMIMBUOV-UHFFFAOYSA-N 0 0 447.991 6.222 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1cccc(F)c1 ZINC000033068672 556829182 /nfs/dbraw/zinc/82/91/82/556829182.db2.gz XEWBWZKNJSBMCG-UHFFFAOYSA-N 0 0 433.508 5.099 50 0 IKAARN CSc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064950055 556829683 /nfs/dbraw/zinc/82/96/83/556829683.db2.gz FTLWBPGBWKVFRK-UHFFFAOYSA-N 0 0 440.528 5.441 50 0 IKAARN O=C(c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1)N1CCCCCC1 ZINC000065002110 556830696 /nfs/dbraw/zinc/83/06/96/556830696.db2.gz YIZTVEURZDRTOL-UHFFFAOYSA-N 0 0 448.998 5.231 50 0 IKAARN O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004787 556831979 /nfs/dbraw/zinc/83/19/79/556831979.db2.gz JAEYYQBMBYRJGK-GOSISDBHSA-N 0 0 428.579 5.417 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cc(-c4cccc(C)c4)nc4ccccc43)sc2c1 ZINC000019630070 556832109 /nfs/dbraw/zinc/83/21/09/556832109.db2.gz JUVJUQWZYBEMQO-UHFFFAOYSA-N 0 0 439.540 6.471 50 0 IKAARN Cc1ccc(CNC(=S)Nc2nn(Cc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000019630618 556832258 /nfs/dbraw/zinc/83/22/58/556832258.db2.gz CVABCWDEFOLKEO-UHFFFAOYSA-N 0 0 439.799 5.687 50 0 IKAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019630335 556832305 /nfs/dbraw/zinc/83/23/05/556832305.db2.gz IPIBELSGBVWVQK-UXBLZVDNSA-N 0 0 439.584 5.435 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)cc1 ZINC000033068800 556832308 /nfs/dbraw/zinc/83/23/08/556832308.db2.gz VUXUWXJRVVGXFR-UHFFFAOYSA-N 0 0 433.964 5.913 50 0 IKAARN CCCCOc1ccc(-c2nnc(SCC(=O)Nc3c(CC)cccc3CC)o2)cc1 ZINC000019630300 556832338 /nfs/dbraw/zinc/83/23/38/556832338.db2.gz AHCINLQXSVQUSE-UHFFFAOYSA-N 0 0 439.581 5.771 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)cc1 ZINC000033068832 556832718 /nfs/dbraw/zinc/83/27/18/556832718.db2.gz MISMYXYFNGOVTJ-UHFFFAOYSA-N 0 0 449.963 5.613 50 0 IKAARN C[C@@H](Sc1nc2ccccc2nc1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 ZINC000033068881 556832723 /nfs/dbraw/zinc/83/27/23/556832723.db2.gz DDHFWORMTKEABG-OAHLLOKOSA-N 0 0 437.952 5.264 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)cc1 ZINC000033068815 556832757 /nfs/dbraw/zinc/83/27/57/556832757.db2.gz UCDWYDUFVOUMOS-UHFFFAOYSA-N 0 0 445.563 6.214 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)c1 ZINC000033068839 556832762 /nfs/dbraw/zinc/83/27/62/556832762.db2.gz ZUOSRCSORJHLCI-UHFFFAOYSA-N 0 0 431.536 5.707 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)cc1 ZINC000033068833 556832770 /nfs/dbraw/zinc/83/27/70/556832770.db2.gz JEINLRCWFZZJQX-UHFFFAOYSA-N 0 0 433.508 5.099 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000033068859 556832900 /nfs/dbraw/zinc/83/29/00/556832900.db2.gz GVLTYEPALRADIW-UHFFFAOYSA-N 0 0 437.927 5.744 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(O)cc3)c(NCc3ccc(Cl)cc3)n2c1C ZINC000065315810 556833115 /nfs/dbraw/zinc/83/31/15/556833115.db2.gz XGLQXIDNQSCHKF-UHFFFAOYSA-N 0 0 441.940 5.519 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1ccc(OC)cc1 ZINC000019632397 556833118 /nfs/dbraw/zinc/83/31/18/556833118.db2.gz SXIGFRQDJGTLGX-UHFFFAOYSA-N 0 0 440.590 5.130 50 0 IKAARN Cc1ccccc1CSCC1N=NC(=S)N1c1ccc(Br)cc1Cl ZINC000019632576 556833344 /nfs/dbraw/zinc/83/33/44/556833344.db2.gz QPTMITBCKDCTGY-UHFFFAOYSA-N 0 0 440.819 5.714 50 0 IKAARN S=c1[nH]nc(CSCc2ccccc2Br)n1Cc1ccc(Cl)cc1 ZINC000019632573 556833375 /nfs/dbraw/zinc/83/33/75/556833375.db2.gz UFMBNBCXMGARIQ-UHFFFAOYSA-N 0 0 440.819 5.838 50 0 IKAARN Cc1cccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000019632648 556833405 /nfs/dbraw/zinc/83/34/05/556833405.db2.gz CXBCSWFAYFWMEZ-UHFFFAOYSA-N 0 0 440.896 7.554 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2csc3c2CCCC3)n1C(C)C ZINC000019632522 556833424 /nfs/dbraw/zinc/83/34/24/556833424.db2.gz FVDOKPMBCPBJOI-UHFFFAOYSA-N 0 0 440.638 5.814 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC)c(O)c3)c(NC3CCCCCC3)n2c1C ZINC000065318735 556833407 /nfs/dbraw/zinc/83/34/07/556833407.db2.gz GOHCFKZENDXAEC-UHFFFAOYSA-N 0 0 443.569 5.397 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(N(C)C)cc3)c(NCc3ccc(C)cc3)n2c1C ZINC000065315857 556833411 /nfs/dbraw/zinc/83/34/11/556833411.db2.gz PFJHJPAWHYMYRA-UHFFFAOYSA-N 0 0 448.592 5.534 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(O)c(OC)c3)c(NC3CCCCC3)n2c1C ZINC000065318747 556833419 /nfs/dbraw/zinc/83/34/19/556833419.db2.gz VARLTCHDGAZWSW-UHFFFAOYSA-N 0 0 429.542 5.007 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(OC)c3)c(NCc3ccc(C)cc3)n2c1C ZINC000065315867 556833443 /nfs/dbraw/zinc/83/34/43/556833443.db2.gz YKHFTFZSRBCVIW-UHFFFAOYSA-N 0 0 435.549 5.477 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cc(OC)cc(OC)c3)c(NC3CCCCC3)n2c1C ZINC000065318751 556833591 /nfs/dbraw/zinc/83/35/91/556833591.db2.gz RLLSVAAALKVJAK-UHFFFAOYSA-N 0 0 443.569 5.310 50 0 IKAARN O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1-c1ccc(Cc2ccncc2)cc1 ZINC000019634717 556834400 /nfs/dbraw/zinc/83/44/00/556834400.db2.gz ULEKCHCIRAESGX-UHFFFAOYSA-N 0 0 441.581 5.686 50 0 IKAARN O=C(Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCCCC3)c1csc2ccccc12 ZINC000019634784 556834629 /nfs/dbraw/zinc/83/46/29/556834629.db2.gz ZOHKUSIAHOJEFM-UHFFFAOYSA-N 0 0 441.603 5.378 50 0 IKAARN O=c1nc(-c2ccccc2OCc2ccc(F)cc2)[nH]c2sc(Cc3ccccc3)cc21 ZINC000019636051 556835029 /nfs/dbraw/zinc/83/50/29/556835029.db2.gz KTLTVRLPSDBAID-UHFFFAOYSA-N 0 0 442.515 5.961 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3cccnc3)nc12 ZINC000019637115 556835734 /nfs/dbraw/zinc/83/57/34/556835734.db2.gz LSPLSNRDHBGDNW-UHFFFAOYSA-N 0 0 442.733 6.818 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(=O)N2CCCCC2)cc1 ZINC000019637056 556835770 /nfs/dbraw/zinc/83/57/70/556835770.db2.gz ZQCSVDHBHSXMKS-UHFFFAOYSA-N 0 0 442.625 6.066 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccn3)nc12 ZINC000019637487 556836014 /nfs/dbraw/zinc/83/60/14/556836014.db2.gz BKTIVUJWKSIHGK-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1CC ZINC000019637606 556836035 /nfs/dbraw/zinc/83/60/35/556836035.db2.gz ZPPBNKBWCBQXEV-UHFFFAOYSA-N 0 0 443.016 5.398 50 0 IKAARN Cn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000019637503 556836045 /nfs/dbraw/zinc/83/60/45/556836045.db2.gz KBSVZCLORKYPOZ-UHFFFAOYSA-N 0 0 442.953 5.280 50 0 IKAARN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccccc1)CC(=O)O3 ZINC000072404466 556836444 /nfs/dbraw/zinc/83/64/44/556836444.db2.gz OUITXBPQJQRTKX-XJMZQZRBSA-N 0 0 448.515 5.315 50 0 IKAARN Cc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 ZINC000033068952 556836526 /nfs/dbraw/zinc/83/65/26/556836526.db2.gz ARDKVJQXEYNGTC-UHFFFAOYSA-N 0 0 429.589 5.146 50 0 IKAARN CCn1c(SCc2ccc(F)cc2Cl)nnc1[C@@H](C)Oc1ccc(F)cc1Cl ZINC000019639850 556836906 /nfs/dbraw/zinc/83/69/06/556836906.db2.gz JZDHBYHMUIFHCD-LLVKDONJSA-N 0 0 444.334 6.315 50 0 IKAARN COc1ccc(C(=O)c2coc3ccc(OCc4ccc(C(=O)OC(C)C)o4)cc23)cc1 ZINC000334161378 556837176 /nfs/dbraw/zinc/83/71/76/556837176.db2.gz ZEQKTICQROTVTN-UHFFFAOYSA-N 0 0 434.444 5.410 50 0 IKAARN Cc1cccc(C(=O)N2c3cc4c(cc3-c3c(=S)ssc3C2(C)C)OCCO4)c1 ZINC000334161284 556837236 /nfs/dbraw/zinc/83/72/36/556837236.db2.gz YIEBEROXAIGDOB-UHFFFAOYSA-N 0 0 441.599 6.181 50 0 IKAARN CCc1ccccc1-n1nc(-c2ccc(OC)c(OC)c2)cc1-c1ccc(OC)c(OC)c1 ZINC000019641104 556837298 /nfs/dbraw/zinc/83/72/98/556837298.db2.gz CLXDZADPZOXERP-UHFFFAOYSA-N 0 0 444.531 5.803 50 0 IKAARN CC1(C)C[C@H](NC(=O)Nc2cccc(F)c2)C[C@@](C)(CNC(=O)Nc2cccc(F)c2)C1 ZINC000019640917 556837309 /nfs/dbraw/zinc/83/73/09/556837309.db2.gz PJNGBGAJTFIEDC-GBXCKJPGSA-N 0 0 444.526 5.493 50 0 IKAARN O=C1C[C@H](c2cccc(Br)c2)N([S@](=O)Oc2ccccc2)c2ccccc21 ZINC000096602632 556838424 /nfs/dbraw/zinc/83/84/24/556838424.db2.gz GGALGJGMNVKEFI-HRFSGMKKSA-N 0 0 442.334 5.241 50 0 IKAARN C(=C/c1nc2sc3c(c2c(N2CCC(n4cncn4)CC2)n1)CCCC3)\c1ccccc1 ZINC000062582332 556838485 /nfs/dbraw/zinc/83/84/85/556838485.db2.gz PSJYNRPFONQXBQ-ZHACJKMWSA-N 0 0 442.592 5.174 50 0 IKAARN CCOc1ccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1CO ZINC000062587264 556838660 /nfs/dbraw/zinc/83/86/60/556838660.db2.gz XHPXDLYNHVXZOG-QFIPXVFZSA-N 0 0 444.453 5.388 50 0 IKAARN O=C(Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCCCC3)c1csc2c1CCCC2 ZINC000019643987 556838744 /nfs/dbraw/zinc/83/87/44/556838744.db2.gz AVBWJKQVVSJOQF-UHFFFAOYSA-N 0 0 445.635 5.104 50 0 IKAARN O=C(c1cccc(-c2ccc(C(F)(F)F)cn2)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000022996651 556838849 /nfs/dbraw/zinc/83/88/49/556838849.db2.gz DQFZJWXJSLJXBK-UHFFFAOYSA-N 0 0 445.872 5.383 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1csc2c1CCCC2 ZINC000019644147 556839000 /nfs/dbraw/zinc/83/90/00/556839000.db2.gz JKPKJHQYOULVOW-UHFFFAOYSA-N 0 0 445.993 6.438 50 0 IKAARN O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000019645406 556839860 /nfs/dbraw/zinc/83/98/60/556839860.db2.gz DIIOYNJLBNPHRH-UHFFFAOYSA-N 0 0 446.913 5.052 50 0 IKAARN COc1cc2cc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc54)nc3)n(C)c2cc1OC ZINC000072405231 556840046 /nfs/dbraw/zinc/84/00/46/556840046.db2.gz KANMZMGGUJHNQM-UHFFFAOYSA-N 0 0 442.475 5.116 50 0 IKAARN 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 ZINC000005631425 556841166 /nfs/dbraw/zinc/84/11/66/556841166.db2.gz AYNSZTKDERUHKJ-ZCHVDTBOSA-N 0 0 431.620 5.198 50 0 biogenic IKAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cn4cc(Cl)cn4)c3)c12 ZINC000019648339 556841297 /nfs/dbraw/zinc/84/12/97/556841297.db2.gz DZZUOKVPULDYFS-UHFFFAOYSA-N 0 0 448.958 5.349 50 0 IKAARN CCc1c(C)sc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1C(=O)OC ZINC000019648405 556841300 /nfs/dbraw/zinc/84/13/00/556841300.db2.gz KSHZAAAODBCOIN-UHFFFAOYSA-N 0 0 449.001 5.113 50 0 IKAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000019681489 556841635 /nfs/dbraw/zinc/84/16/35/556841635.db2.gz BETORZKWQPZESJ-UHFFFAOYSA-N 0 0 435.346 6.034 50 0 IKAARN COc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)cs2)c1C ZINC000067341646 556842483 /nfs/dbraw/zinc/84/24/83/556842483.db2.gz WVVQWWBKMBJLHT-UHFFFAOYSA-N 0 0 427.327 5.137 50 0 IKAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 ZINC000008718796 556842875 /nfs/dbraw/zinc/84/28/75/556842875.db2.gz HNFZRTREBFKYPM-LJQANCHMSA-N 0 0 427.570 5.057 50 0 IKAARN CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000008734899 556843546 /nfs/dbraw/zinc/84/35/46/556843546.db2.gz RTLFYLIWGKQDDE-AREMUKBSSA-N 0 0 436.515 5.251 50 0 IKAARN COc1ccc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000008671966 556844101 /nfs/dbraw/zinc/84/41/01/556844101.db2.gz QJJYCTQDDXOBRW-QHCPKHFHSA-N 0 0 429.545 5.044 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)c2ccccc2F)nnc1-c1cccs1 ZINC000008747064 556845238 /nfs/dbraw/zinc/84/52/38/556845238.db2.gz IZEJLQBIYPEABS-UHFFFAOYSA-N 0 0 425.510 5.119 50 0 IKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000067692131 556846015 /nfs/dbraw/zinc/84/60/15/556846015.db2.gz VOWWRIXMJYJISM-RUZDIDTESA-N 0 0 437.543 5.807 50 0 IKAARN Cc1nccn1CC[C@H]1CCCCN1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000067920090 556847547 /nfs/dbraw/zinc/84/75/47/556847547.db2.gz SBYKHNLZKGQTON-XMMPIXPASA-N 0 0 441.579 5.200 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(OC)cc1Cl ZINC000011220463 556847732 /nfs/dbraw/zinc/84/77/32/556847732.db2.gz VHJYXPBIGVARQB-UHFFFAOYSA-N 0 0 440.887 5.195 50 0 IKAARN Cc1c(C(=O)OC(C)(C)C)c2cc(O)c3ccccc3c2n1CCOc1ccccc1C ZINC000072411028 556848247 /nfs/dbraw/zinc/84/82/47/556848247.db2.gz ZIERCSTUVMDJHC-UHFFFAOYSA-N 0 0 431.532 6.151 50 0 IKAARN COc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1OC ZINC000008854447 556850180 /nfs/dbraw/zinc/85/01/80/556850180.db2.gz NIJPPEIQFZDWPY-UHFFFAOYSA-N 0 0 434.970 5.287 50 0 IKAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1F ZINC000008852574 556850221 /nfs/dbraw/zinc/85/02/21/556850221.db2.gz CXADLRSEPSBIGJ-UHFFFAOYSA-N 0 0 449.960 5.156 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1ccc(F)cc1 ZINC000008861123 556851380 /nfs/dbraw/zinc/85/13/80/556851380.db2.gz MBQLTVCXHCFTGH-UHFFFAOYSA-N 0 0 435.524 5.241 50 0 IKAARN C[C@@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2NC1=O ZINC000008879096 556852014 /nfs/dbraw/zinc/85/20/14/556852014.db2.gz FFIIBVIUCILWQV-QMMMGPOBSA-N 0 0 434.361 5.409 50 0 IKAARN Cc1ccc2nc(NC(=O)Cc3csc(SCc4cc(C)ccc4C)n3)sc2c1 ZINC000008937705 556852987 /nfs/dbraw/zinc/85/29/87/556852987.db2.gz DMZXWLNZGHTPCY-UHFFFAOYSA-N 0 0 439.631 6.152 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(SCc3cccc(Cl)c3)n2)c1 ZINC000008939045 556853114 /nfs/dbraw/zinc/85/31/14/556853114.db2.gz KJUJFRFDUMYZDE-UHFFFAOYSA-N 0 0 431.970 5.228 50 0 IKAARN Cc1c(C(=O)NCCSCc2ccco2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078896 556853904 /nfs/dbraw/zinc/85/39/04/556853904.db2.gz UDRGGSVFLHWNKT-UHFFFAOYSA-N 0 0 444.626 5.025 50 0 IKAARN CCOc1ccc(CC(=O)Nc2ccc3nc(N4CCCC4)cc(C)c3c2)cc1OCC ZINC000033084624 556854803 /nfs/dbraw/zinc/85/48/03/556854803.db2.gz MRYKVRDULGZNLR-UHFFFAOYSA-N 0 0 433.552 5.122 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000033085259 556855314 /nfs/dbraw/zinc/85/53/14/556855314.db2.gz GHFIYKSIOGKWJU-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000033085283 556855346 /nfs/dbraw/zinc/85/53/46/556855346.db2.gz ZQGWSTQDUYDPSS-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085614 556856456 /nfs/dbraw/zinc/85/64/56/556856456.db2.gz WOGWRXSRYNDSAJ-UHFFFAOYSA-N 0 0 444.535 5.229 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085663 556856781 /nfs/dbraw/zinc/85/67/81/556856781.db2.gz RWIBLWBEVBUYSA-UHFFFAOYSA-N 0 0 428.536 5.529 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000033085710 556856785 /nfs/dbraw/zinc/85/67/85/556856785.db2.gz XMYHWVHMBPMKNM-UHFFFAOYSA-N 0 0 434.927 5.484 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085790 556856808 /nfs/dbraw/zinc/85/68/08/556856808.db2.gz HQSHWDDNHUJWCZ-UHFFFAOYSA-N 0 0 432.499 5.360 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1nc2ccccc2nc1N1CCCC1 ZINC000033085932 556857034 /nfs/dbraw/zinc/85/70/34/556857034.db2.gz JYNCHTDCAXDXTP-UHFFFAOYSA-N 0 0 444.922 5.928 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1c(C)sc3ccccc31)CC(=O)N2 ZINC000033088616 556858020 /nfs/dbraw/zinc/85/80/20/556858020.db2.gz IPFGETVFXXQGOU-MRXNPFEDSA-N 0 0 444.585 6.096 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 ZINC000033089201 556858418 /nfs/dbraw/zinc/85/84/18/556858418.db2.gz HFXSCLYESRBCMA-CYBMUJFWSA-N 0 0 425.326 5.257 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)cc1 ZINC000033106328 556858899 /nfs/dbraw/zinc/85/88/99/556858899.db2.gz XUQSQPUMRYHZNC-UHFFFAOYSA-N 0 0 425.488 5.430 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000033106563 556859114 /nfs/dbraw/zinc/85/91/14/556859114.db2.gz LJHGZAVJHUBCLR-UHFFFAOYSA-N 0 0 439.563 5.056 50 0 IKAARN CCOc1ccc(CC(=O)Nc2cccc(-c3ccc4ccccc4n3)c2)cc1OCC ZINC000033113798 556860616 /nfs/dbraw/zinc/86/06/16/556860616.db2.gz FXKJTNZFBLDHKQ-UHFFFAOYSA-N 0 0 426.516 5.880 50 0 IKAARN COc1ccc(-n2nnnc2[C@@H](CC(C)C)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004663583 556860932 /nfs/dbraw/zinc/86/09/32/556860932.db2.gz SAGPCWOSXIWJRQ-RUZDIDTESA-N 0 0 427.552 5.465 50 0 IKAARN C=Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCC(C)C)cc1 ZINC000033114614 556861453 /nfs/dbraw/zinc/86/14/53/556861453.db2.gz AAHSHQWYNJEKHR-UHFFFAOYSA-N 0 0 443.616 6.383 50 0 IKAARN CC(C)CCn1c(=O)c2c(nc1SCc1cccc(F)c1)c(-c1ccccc1)cn2C ZINC000033114608 556861462 /nfs/dbraw/zinc/86/14/62/556861462.db2.gz ZYAKERIGZZMSBS-UHFFFAOYSA-N 0 0 435.568 5.880 50 0 IKAARN O=C(CSc1nc(N2CCc3ccccc3C2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000033114739 556861472 /nfs/dbraw/zinc/86/14/72/556861472.db2.gz WQSGRKPBQOHBCD-UHFFFAOYSA-N 0 0 444.535 5.062 50 0 IKAARN CC(C)CCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116009 556861781 /nfs/dbraw/zinc/86/17/81/556861781.db2.gz IXWNGAPXUMDNKU-LJQANCHMSA-N 0 0 447.579 5.145 50 0 IKAARN COc1ccc(NC(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2F)cc1OC ZINC000033116263 556862008 /nfs/dbraw/zinc/86/20/08/556862008.db2.gz JMWOSFJQWXOHTD-UHFFFAOYSA-N 0 0 436.508 5.657 50 0 IKAARN CCn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000033116514 556862117 /nfs/dbraw/zinc/86/21/17/556862117.db2.gz MSJUMVYFYZAKCR-UHFFFAOYSA-N 0 0 439.968 5.296 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000033122141 556863004 /nfs/dbraw/zinc/86/30/04/556863004.db2.gz KCUFMSLRZNQTOX-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 ZINC000033122139 556863035 /nfs/dbraw/zinc/86/30/35/556863035.db2.gz LUEAATUUCGAJRH-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccccc2OCC)cc1 ZINC000033122046 556863044 /nfs/dbraw/zinc/86/30/44/556863044.db2.gz ONVYWWUPWCCRGS-UHFFFAOYSA-N 0 0 447.564 5.187 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cccc(OC)c2)cc1 ZINC000033122239 556863152 /nfs/dbraw/zinc/86/31/52/556863152.db2.gz GAMUIPCAIRIBLZ-UHFFFAOYSA-N 0 0 448.552 5.189 50 0 IKAARN CCc1ccccc1NC(=O)Nc1ccc(Sc2c(CC)c(C)nc3ncnn32)cc1 ZINC000033122175 556863167 /nfs/dbraw/zinc/86/31/67/556863167.db2.gz BSJFMUQAWGXTBH-UHFFFAOYSA-N 0 0 432.553 5.353 50 0 IKAARN CSc1cccc(NC(=S)N(C2CCN(C(C)=O)CC2)[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000004669801 556864829 /nfs/dbraw/zinc/86/48/29/556864829.db2.gz WCCRSQPMOJIRFA-GSHUGGBRSA-N 0 0 433.687 5.243 50 0 IKAARN N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019706671 556864901 /nfs/dbraw/zinc/86/49/01/556864901.db2.gz CFCAWNLIUUIUBK-OAQYLSRUSA-N 0 0 446.765 5.664 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cccc(C(F)(F)F)c1 ZINC000033128751 556865690 /nfs/dbraw/zinc/86/56/90/556865690.db2.gz BTHQVQWGFSUYBI-UHFFFAOYSA-N 0 0 425.410 5.552 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000033128658 556865708 /nfs/dbraw/zinc/86/57/08/556865708.db2.gz MEGOEUNRPXWEFN-UHFFFAOYSA-N 0 0 435.911 5.504 50 0 IKAARN Cn1c(CCc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)nc2ccccc21 ZINC000033126393 556866938 /nfs/dbraw/zinc/86/69/38/556866938.db2.gz XUQXAFDOEGKEGL-UHFFFAOYSA-N 0 0 438.453 6.021 50 0 IKAARN Cc1ccc(Cn2c3ccccc3n(C[C@H](O)c3ccc(Cl)c(Cl)c3)c2=N)cc1 ZINC000019707464 556867147 /nfs/dbraw/zinc/86/71/47/556867147.db2.gz LQYDYWMFFKKSFD-QFIPXVFZSA-N 0 0 426.347 5.319 50 0 IKAARN N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019707782 556867675 /nfs/dbraw/zinc/86/76/75/556867675.db2.gz IXCLYGIZJDSJSJ-NRFANRHFSA-N 0 0 446.765 5.664 50 0 IKAARN N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019707784 556867821 /nfs/dbraw/zinc/86/78/21/556867821.db2.gz IXCLYGIZJDSJSJ-OAQYLSRUSA-N 0 0 446.765 5.664 50 0 IKAARN CC1CCC(N2CC(=O)N(C3CCCCCCC3)[C@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000004672777 556868144 /nfs/dbraw/zinc/86/81/44/556868144.db2.gz DQBJLWGMDHJZJD-SXKUEDQZSA-N 0 0 431.020 5.744 50 0 IKAARN CCOC(=O)[C@H](C)NC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)cc(OCC)c2c1 ZINC000033129279 556868369 /nfs/dbraw/zinc/86/83/69/556868369.db2.gz VJSSCJPZCWDHSX-AWEZNQCLSA-N 0 0 441.915 5.027 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1Cl ZINC000033129482 556868680 /nfs/dbraw/zinc/86/86/80/556868680.db2.gz URWGBAFXTVHASH-UHFFFAOYSA-N 0 0 436.924 6.154 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129494 556868717 /nfs/dbraw/zinc/86/87/17/556868717.db2.gz SFNIIPCZKHIKAR-UHFFFAOYSA-N 0 0 432.505 5.591 50 0 IKAARN Cc1ccccc1NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130004 556869591 /nfs/dbraw/zinc/86/95/91/556869591.db2.gz JNYGLNFYEIXAHB-UHFFFAOYSA-N 0 0 434.561 5.089 50 0 IKAARN CCCCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCCC)cc1 ZINC000004674575 556870054 /nfs/dbraw/zinc/87/00/54/556870054.db2.gz WQXFSXIOTSFCNV-VWLOTQADSA-N 0 0 428.617 5.490 50 0 IKAARN Cc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)cc2)c1 ZINC000033130270 556870180 /nfs/dbraw/zinc/87/01/80/556870180.db2.gz URCTWELDEIHXQC-UHFFFAOYSA-N 0 0 442.540 5.715 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)n1 ZINC000033130370 556870326 /nfs/dbraw/zinc/87/03/26/556870326.db2.gz LWRGUSYJJNAEHJ-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN COc1cccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)n2)c1 ZINC000033130404 556870344 /nfs/dbraw/zinc/87/03/44/556870344.db2.gz POWJQGJHAUWKAP-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)n2)cc1 ZINC000033130509 556870571 /nfs/dbraw/zinc/87/05/71/556870571.db2.gz PCALKEULQLSMHZ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)cc1 ZINC000033130493 556870575 /nfs/dbraw/zinc/87/05/75/556870575.db2.gz OEEOLACOEGSYEQ-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)n2)cc1 ZINC000033130484 556870584 /nfs/dbraw/zinc/87/05/84/556870584.db2.gz DIGISTUNLQKFRU-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)n2)cc1 ZINC000033130497 556870668 /nfs/dbraw/zinc/87/06/68/556870668.db2.gz NDOOOSBIBDOEEJ-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)n2)c1 ZINC000033130590 556870834 /nfs/dbraw/zinc/87/08/34/556870834.db2.gz VQZRBPKNWACNRH-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(C)c(Cl)c2)n1 ZINC000033130655 556870922 /nfs/dbraw/zinc/87/09/22/556870922.db2.gz KBESZNIUYSAJPY-UHFFFAOYSA-N 0 0 434.927 5.919 50 0 IKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)nn1 ZINC000033130885 556871080 /nfs/dbraw/zinc/87/10/80/556871080.db2.gz VCNXZCBIVJRWHN-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN O=C(Nc1c2cccc(Cl)c2[nH]c1-c1ccncc1)Nc1cccc(C(F)(F)F)c1 ZINC000033130828 556871083 /nfs/dbraw/zinc/87/10/83/556871083.db2.gz WZAHTOKENQZRIJ-UHFFFAOYSA-N 0 0 430.817 6.546 50 0 IKAARN CCOC(=O)C[C@H](NC(=O)Nc1c2ccccc2[nH]c1-c1cccnc1)c1ccccc1 ZINC000033130711 556871097 /nfs/dbraw/zinc/87/10/97/556871097.db2.gz JEOLLBNMYIMTMU-NRFANRHFSA-N 0 0 428.492 5.046 50 0 IKAARN COc1cc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2ccncc2)cc(OC)c1OC ZINC000033130807 556871137 /nfs/dbraw/zinc/87/11/37/556871137.db2.gz QGTFUYBTLCZUCE-UHFFFAOYSA-N 0 0 436.443 5.039 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(-c2ccc(Oc3ccccc3OC)nn2)c1 ZINC000033131019 556871383 /nfs/dbraw/zinc/87/13/83/556871383.db2.gz BOBAKLGYOJENPO-UHFFFAOYSA-N 0 0 441.487 5.596 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)c(OC)c1 ZINC000033139188 556872985 /nfs/dbraw/zinc/87/29/85/556872985.db2.gz DRRBBNDCTHQMLX-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139110 556873088 /nfs/dbraw/zinc/87/30/88/556873088.db2.gz LIJQQUBOOWVMLD-UHFFFAOYSA-N 0 0 429.451 5.726 50 0 IKAARN CCCC[C@H](CC)CNC(=O)CCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004679018 556873790 /nfs/dbraw/zinc/87/37/90/556873790.db2.gz APRGYLGFEAYDOR-NRFANRHFSA-N 0 0 430.633 6.087 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)CCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004679014 556873846 /nfs/dbraw/zinc/87/38/46/556873846.db2.gz APRGYLGFEAYDOR-OAQYLSRUSA-N 0 0 430.633 6.087 50 0 IKAARN CCOc1ccccc1NC(=O)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033139214 556874104 /nfs/dbraw/zinc/87/41/04/556874104.db2.gz UHFUELXBSYUQTQ-UHFFFAOYSA-N 0 0 429.451 5.726 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(Oc3nccnc3Sc3ccc(C)cc3)cc2)o1 ZINC000033139956 556875110 /nfs/dbraw/zinc/87/51/10/556875110.db2.gz PKYWFIUDYWXNEW-UHFFFAOYSA-N 0 0 431.517 5.560 50 0 IKAARN O=C(NCc1cccc(F)c1)c1ccc(Oc2nccnc2Sc2ccc(F)cc2)cc1 ZINC000033139939 556875154 /nfs/dbraw/zinc/87/51/54/556875154.db2.gz GGNLVFQGTKQFTF-UHFFFAOYSA-N 0 0 449.482 5.628 50 0 IKAARN Cc1ccc(-c2noc(-c3cc(N4CCN(c5ccccc5)CC4)nc4ccccc43)n2)cc1 ZINC000033140354 556876042 /nfs/dbraw/zinc/87/60/42/556876042.db2.gz OQSBKIKJUDUBDX-UHFFFAOYSA-N 0 0 447.542 5.587 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cccc(Cl)c1)CC2 ZINC000019732541 556876739 /nfs/dbraw/zinc/87/67/39/556876739.db2.gz RPBGYMCXNLUKRG-DEOSSOPVSA-N 0 0 428.359 6.158 50 0 IKAARN c1ccc(CCCOc2ccccc2NCc2ccc(OCCc3ccccc3)cc2)cc1 ZINC000019738459 556876839 /nfs/dbraw/zinc/87/68/39/556876839.db2.gz KWCKOYNONSQQPF-UHFFFAOYSA-N 0 0 437.583 6.932 50 0 IKAARN c1ccc(CCOc2cccc(CNc3ccc(OCCOc4ccccc4)cc3)c2)cc1 ZINC000019738253 556876848 /nfs/dbraw/zinc/87/68/48/556876848.db2.gz MXUFHPUBMZLXNQ-UHFFFAOYSA-N 0 0 439.555 6.378 50 0 IKAARN c1ccc(CCCOc2ccc(NCc3ccccc3OCCc3ccccc3)cc2)cc1 ZINC000019738425 556876955 /nfs/dbraw/zinc/87/69/55/556876955.db2.gz SKTAPAPUQIMKGG-UHFFFAOYSA-N 0 0 437.583 6.932 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccccc1Cl)CC2 ZINC000019732690 556876995 /nfs/dbraw/zinc/87/69/95/556876995.db2.gz SUCIBFHFRUYLOB-XMMPIXPASA-N 0 0 428.359 6.158 50 0 IKAARN O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c1CN(Cc1ccccc1)CC2 ZINC000033141654 556877944 /nfs/dbraw/zinc/87/79/44/556877944.db2.gz KCMJNZGMVKCUSG-UHFFFAOYSA-N 0 0 431.483 5.052 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4Cl)cc3)sc2c1 ZINC000033169225 556880608 /nfs/dbraw/zinc/88/06/08/556880608.db2.gz ZJUAUCZIEDGDCP-UHFFFAOYSA-N 0 0 444.965 5.567 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc(Cl)cc4)cc3)sc2c1 ZINC000033169224 556880629 /nfs/dbraw/zinc/88/06/29/556880629.db2.gz OSXQMLDTUWGUNT-UHFFFAOYSA-N 0 0 444.965 5.567 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000033168703 556880926 /nfs/dbraw/zinc/88/09/26/556880926.db2.gz NSJARNNMXHZTLQ-FQEVSTJZSA-N 0 0 432.593 5.408 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nccnc1Sc1ccccc1 ZINC000033168950 556881225 /nfs/dbraw/zinc/88/12/25/556881225.db2.gz HWTGKRGXQRDXRC-UHFFFAOYSA-N 0 0 431.970 5.329 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3Cl)sc2c1 ZINC000033169081 556881388 /nfs/dbraw/zinc/88/13/88/556881388.db2.gz VDKWBNOZICAULH-UHFFFAOYSA-N 0 0 444.965 5.735 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000033169124 556881531 /nfs/dbraw/zinc/88/15/31/556881531.db2.gz ZINKSBLHBAANFT-UHFFFAOYSA-N 0 0 436.602 6.271 50 0 IKAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000033171030 556881815 /nfs/dbraw/zinc/88/18/15/556881815.db2.gz LHXFSGCFOIIMEQ-AUWJEWJLSA-N 0 0 439.537 5.036 50 0 IKAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 ZINC000033173764 556883538 /nfs/dbraw/zinc/88/35/38/556883538.db2.gz PZTYBQJUXKSXAY-UHFFFAOYSA-N 0 0 430.473 5.172 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000033173552 556883633 /nfs/dbraw/zinc/88/36/33/556883633.db2.gz RSCYHAJRWHTPLX-UHFFFAOYSA-N 0 0 444.862 5.685 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000033173548 556883680 /nfs/dbraw/zinc/88/36/80/556883680.db2.gz JLPLLPAQEKAVTH-UHFFFAOYSA-N 0 0 444.862 5.055 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000033173606 556883705 /nfs/dbraw/zinc/88/37/05/556883705.db2.gz LXLGAPYFGVHEFH-UHFFFAOYSA-N 0 0 436.455 5.064 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc(-c2nc(-c3cc(C)ccc3C)co2)cc1 ZINC000033169403 556884400 /nfs/dbraw/zinc/88/44/00/556884400.db2.gz QIZNFELGXQINEH-UHFFFAOYSA-N 0 0 427.504 6.586 50 0 IKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccccc1Br ZINC000033169325 556884499 /nfs/dbraw/zinc/88/44/99/556884499.db2.gz MUSCCLAIVCWHGV-UHFFFAOYSA-N 0 0 434.293 6.415 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)n2)c(C)c1 ZINC000033169371 556884535 /nfs/dbraw/zinc/88/45/35/556884535.db2.gz YLPXFBYZEPTRGX-UHFFFAOYSA-N 0 0 427.460 5.998 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000033170078 556885444 /nfs/dbraw/zinc/88/54/44/556885444.db2.gz UATPIMBFCPTVGM-UHFFFAOYSA-N 0 0 448.573 5.320 50 0 IKAARN O[C@@H](CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1C(F)(F)F ZINC000060522698 556886893 /nfs/dbraw/zinc/88/68/93/556886893.db2.gz CUCHOPPETTVJQM-LBPRGKRZSA-N 0 0 441.784 5.246 50 0 IKAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccccc3C)n2)cc1 ZINC000004704926 556888241 /nfs/dbraw/zinc/88/82/41/556888241.db2.gz ZGQBSXBOXIOQRO-UHFFFAOYSA-N 0 0 425.536 5.116 50 0 IKAARN CCN(CC)c1ccc([C@]2(c3c(C)n(C)c4ccccc43)OC(=O)c3ccccc32)c(C)c1 ZINC000071791048 556888303 /nfs/dbraw/zinc/88/83/03/556888303.db2.gz LCGJEUAHECYSFW-LJAQVGFWSA-N 0 0 438.571 6.104 50 0 IKAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3cccc(C)c3)n2)cc1 ZINC000004704927 556888384 /nfs/dbraw/zinc/88/83/84/556888384.db2.gz UFFMCJPMBQWXRE-UHFFFAOYSA-N 0 0 425.536 5.116 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004703762 556888564 /nfs/dbraw/zinc/88/85/64/556888564.db2.gz CUIWKJMHXWUAGT-UHFFFAOYSA-N 0 0 430.592 6.607 50 0 IKAARN O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 ZINC000033249341 556889195 /nfs/dbraw/zinc/88/91/95/556889195.db2.gz CRQSNSKCCOROIX-UHFFFAOYSA-N 0 0 449.359 5.001 50 0 IKAARN CSc1ccc(CNC(=O)c2[nH]c3ccc(F)cc3c2NC(=O)c2ccccc2)cc1 ZINC000033252536 556893207 /nfs/dbraw/zinc/89/32/07/556893207.db2.gz JPYDLEZLYDDOSL-UHFFFAOYSA-N 0 0 433.508 5.211 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)nc2ccccc21 ZINC000033252611 556893234 /nfs/dbraw/zinc/89/32/34/556893234.db2.gz XZINPWIZLYSYLA-UHFFFAOYSA-N 0 0 429.520 5.111 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1 ZINC000033254873 556894530 /nfs/dbraw/zinc/89/45/30/556894530.db2.gz RFXDIIVVKYYHKZ-UHFFFAOYSA-N 0 0 449.514 5.518 50 0 IKAARN Cc1ccccc1-c1noc(-c2cn(Cc3ccc(NC(=O)Cc4ccccc4)cc3)cn2)n1 ZINC000033254855 556894558 /nfs/dbraw/zinc/89/45/58/556894558.db2.gz JBXSQBPRTQDXPP-UHFFFAOYSA-N 0 0 449.514 5.138 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)c1 ZINC000033254869 556894651 /nfs/dbraw/zinc/89/46/51/556894651.db2.gz NNVLMDVHFPMUGG-UHFFFAOYSA-N 0 0 449.514 5.518 50 0 IKAARN Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2NC(=O)C(C)(C)C)c1C ZINC000033257047 556895489 /nfs/dbraw/zinc/89/54/89/556895489.db2.gz GTWMAHZKITUGBH-UHFFFAOYSA-N 0 0 431.565 5.544 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000033258568 556896086 /nfs/dbraw/zinc/89/60/86/556896086.db2.gz ZWSXENFPYMWFJE-UHFFFAOYSA-N 0 0 433.899 5.404 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000033258584 556896389 /nfs/dbraw/zinc/89/63/89/556896389.db2.gz DVVPJMSGBDTGOJ-UHFFFAOYSA-N 0 0 447.926 5.712 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000033258678 556896458 /nfs/dbraw/zinc/89/64/58/556896458.db2.gz FLMQXVKWKHEVMV-UHFFFAOYSA-N 0 0 437.862 5.153 50 0 IKAARN CCc1ccccc1NC(=O)c1cn(-c2ccc(-c3noc(C4CCC4)n3)cc2)nc1C ZINC000033258573 556896465 /nfs/dbraw/zinc/89/64/65/556896465.db2.gz ZDSNQCQUNLTXLY-UHFFFAOYSA-N 0 0 427.508 5.313 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1c(C)cc(C)cc1C ZINC000033258589 556896468 /nfs/dbraw/zinc/89/64/68/556896468.db2.gz MAKQPACGJDBEEB-UHFFFAOYSA-N 0 0 441.535 5.676 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)nn2)c(C)c1C ZINC000072115989 556897737 /nfs/dbraw/zinc/89/77/37/556897737.db2.gz BTKPVDGWZCQXEI-UHFFFAOYSA-N 0 0 427.512 5.284 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)nn2)c(C)c1C ZINC000072117431 556898230 /nfs/dbraw/zinc/89/82/30/556898230.db2.gz DGULAYXVQAOQEG-UHFFFAOYSA-N 0 0 432.915 5.237 50 0 IKAARN COc1cc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc(OC)c1 ZINC000033261074 556898456 /nfs/dbraw/zinc/89/84/56/556898456.db2.gz FICHPYRMCYEQEG-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)c(OC)c1 ZINC000033261122 556898756 /nfs/dbraw/zinc/89/87/56/556898756.db2.gz MEYKSXLSULWNGU-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261293 556898765 /nfs/dbraw/zinc/89/87/65/556898765.db2.gz RNQUFYHDSWAZHB-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c1 ZINC000033261306 556899599 /nfs/dbraw/zinc/89/95/99/556899599.db2.gz CGLHICDWIACHMT-QGZVFWFLSA-N 0 0 442.494 5.526 50 0 IKAARN COc1ccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)cc1OC ZINC000033262529 556900873 /nfs/dbraw/zinc/90/08/73/556900873.db2.gz YOBUEVJGKWIQCC-UHFFFAOYSA-N 0 0 434.521 5.120 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1C ZINC000033262614 556900905 /nfs/dbraw/zinc/90/09/05/556900905.db2.gz VOSUJBBXBQSPOA-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccccc3OCc3ccccc3)no2)CC1 ZINC000072328598 556905545 /nfs/dbraw/zinc/90/55/45/556905545.db2.gz NYWGLLUREXARNC-UHFFFAOYSA-N 0 0 435.524 5.430 50 0 IKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000019782233 556913755 /nfs/dbraw/zinc/91/37/55/556913755.db2.gz PIMLGEPMMPLVQH-AREMUKBSSA-N 0 0 429.456 6.826 50 0 IKAARN Clc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1ccccc1Cl ZINC000019799282 556916965 /nfs/dbraw/zinc/91/69/65/556916965.db2.gz ZQUHRYQPJMGUNJ-XZOQPEGZSA-N 0 0 447.325 5.798 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](Nc2cccc(Br)c2)C(Cl)(Cl)Cl)cc1 ZINC000019800265 556917346 /nfs/dbraw/zinc/91/73/46/556917346.db2.gz PLUZDMSVGCWSQG-OAHLLOKOSA-N 0 0 436.564 5.296 50 0 IKAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3cccc(C)c3)s1)=C2 ZINC000019809953 556918917 /nfs/dbraw/zinc/91/89/17/556918917.db2.gz JCUUJNDGLNVIQQ-UHFFFAOYSA-N 0 0 438.936 5.633 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000019810230 556918919 /nfs/dbraw/zinc/91/89/19/556918919.db2.gz XWCQOVVDFYQFOC-UHFFFAOYSA-N 0 0 447.535 5.756 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 ZINC000019811348 556919055 /nfs/dbraw/zinc/91/90/55/556919055.db2.gz YCONAMXSBHGHFB-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000019819560 556922799 /nfs/dbraw/zinc/92/27/99/556922799.db2.gz NNDUGENPTUHTAL-UHFFFAOYSA-N 0 0 432.014 5.115 50 0 IKAARN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)c1 ZINC000019822998 556924674 /nfs/dbraw/zinc/92/46/74/556924674.db2.gz VGXQTTUAMXXTNO-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000019823098 556924697 /nfs/dbraw/zinc/92/46/97/556924697.db2.gz TULLFYDXOVCOMF-UHFFFAOYSA-N 0 0 446.551 5.675 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000019823205 556924889 /nfs/dbraw/zinc/92/48/89/556924889.db2.gz AIEOJNPXLFRJKU-UHFFFAOYSA-N 0 0 429.549 5.184 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000019823177 556924906 /nfs/dbraw/zinc/92/49/06/556924906.db2.gz QSTWIBAGIGHCFB-GOSISDBHSA-N 0 0 443.576 5.574 50 0 IKAARN CC(C)(C)c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 ZINC000019823681 556925220 /nfs/dbraw/zinc/92/52/20/556925220.db2.gz AUNHLFGAIMQQFW-UHFFFAOYSA-N 0 0 434.996 6.573 50 0 IKAARN COc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2cccnc2)cc1 ZINC000019823849 556925224 /nfs/dbraw/zinc/92/52/24/556925224.db2.gz XVUTZCUUNLPYGU-UHFFFAOYSA-N 0 0 443.359 5.937 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nnc2-c2ccco2)cc1 ZINC000019824003 556925336 /nfs/dbraw/zinc/92/53/36/556925336.db2.gz YXFULTSBYQNVQT-UHFFFAOYSA-N 0 0 444.343 6.118 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccco2)cc1 ZINC000019824036 556925416 /nfs/dbraw/zinc/92/54/16/556925416.db2.gz CTVCOIXQXLVZIP-UHFFFAOYSA-N 0 0 432.549 5.690 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019824273 556925448 /nfs/dbraw/zinc/92/54/48/556925448.db2.gz SOCKOXKDZPEMFU-UHFFFAOYSA-N 0 0 430.316 5.809 50 0 IKAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3CC)nnc2-c2ccco2)cc1 ZINC000019824565 556925670 /nfs/dbraw/zinc/92/56/70/556925670.db2.gz SRGSUMOCNKZMFU-UHFFFAOYSA-N 0 0 448.548 5.219 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2cccs2)cc1 ZINC000019824715 556925692 /nfs/dbraw/zinc/92/56/92/556925692.db2.gz BUSVPPUFVSMZHV-UHFFFAOYSA-N 0 0 434.590 5.652 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2cccs2)cc1 ZINC000019824895 556925946 /nfs/dbraw/zinc/92/59/46/556925946.db2.gz MZZWRYSSSBYCMQ-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN COc1ccc(-c2cc(-c3nnc4sc(-c5ccc(C(C)(C)C)cc5)nn43)[nH]n2)cc1 ZINC000019827656 556926195 /nfs/dbraw/zinc/92/61/95/556926195.db2.gz STLOWHILHJARND-UHFFFAOYSA-N 0 0 430.537 5.216 50 0 IKAARN O=C(NC(NCCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000019848299 556930100 /nfs/dbraw/zinc/93/01/00/556930100.db2.gz ZDGKHZAYTLOCJP-UHFFFAOYSA-N 0 0 448.451 5.433 50 0 IKAARN CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000019851207 556930602 /nfs/dbraw/zinc/93/06/02/556930602.db2.gz MXDWGGPCECHONE-MRXNPFEDSA-N 0 0 426.651 6.346 50 0 IKAARN O=C(c1ccccc1)[C@H](SC(=S)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019859334 556932072 /nfs/dbraw/zinc/93/20/72/556932072.db2.gz WBSQKMNRDBWOLH-RUZDIDTESA-N 0 0 446.641 5.447 50 0 IKAARN O=C(c1ccccc1)[C@@H](SC(=S)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019859332 556932155 /nfs/dbraw/zinc/93/21/55/556932155.db2.gz WBSQKMNRDBWOLH-VWLOTQADSA-N 0 0 446.641 5.447 50 0 IKAARN Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000019860422 556932870 /nfs/dbraw/zinc/93/28/70/556932870.db2.gz JUGKPLOZUCLFAK-UHFFFAOYSA-N 0 0 449.304 6.008 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1 ZINC000019863139 556934315 /nfs/dbraw/zinc/93/43/15/556934315.db2.gz HDOKZWNZTCJHDL-UHFFFAOYSA-N 0 0 442.902 6.076 50 0 IKAARN COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878865 556936178 /nfs/dbraw/zinc/93/61/78/556936178.db2.gz PMKFDJRFFOJJQT-ZJSXRUAMSA-N 0 0 436.870 5.240 50 0 IKAARN COc1ccccc1CN1COc2c(Cl)cc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000019882376 556937384 /nfs/dbraw/zinc/93/73/84/556937384.db2.gz XMHSYPDNJROFGG-UHFFFAOYSA-N 0 0 433.891 5.474 50 0 IKAARN COc1ccccc1CCN1COc2c(Cl)cc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000019882560 556937537 /nfs/dbraw/zinc/93/75/37/556937537.db2.gz TUHNLPZBQVSBOH-UHFFFAOYSA-N 0 0 447.918 5.517 50 0 IKAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(=O)n1-c1ccccc1)c1ccc(F)cc1 ZINC000019892230 556939734 /nfs/dbraw/zinc/93/97/34/556939734.db2.gz UDJGJUAOJWZLRM-UHFFFAOYSA-N 0 0 434.467 5.153 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c(Cl)c1 ZINC000019892141 556939862 /nfs/dbraw/zinc/93/98/62/556939862.db2.gz PNEVKSZDOBTZKD-PKTZIBPZSA-N 0 0 447.325 5.798 50 0 IKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000019893353 556939971 /nfs/dbraw/zinc/93/99/71/556939971.db2.gz HFPTUUXSQVVIBT-AUSIDOKSSA-N 0 0 449.304 5.420 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc(Br)cc3)=NN1[C@@H](c1ccccc1)O2 ZINC000019893319 556939984 /nfs/dbraw/zinc/93/99/84/556939984.db2.gz IMALJVZAXDXOPP-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000019893501 556940022 /nfs/dbraw/zinc/94/00/22/556940022.db2.gz XFNLXYCLRZTDIB-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1Cl ZINC000019894324 556940397 /nfs/dbraw/zinc/94/03/97/556940397.db2.gz WZJHGLHLPYOHOX-UHFFFAOYSA-N 0 0 429.734 7.058 50 0 IKAARN O=C(Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccccc1)c1ccco1 ZINC000019898745 556941174 /nfs/dbraw/zinc/94/11/74/556941174.db2.gz SGMMECNIFIRWEO-ZELGORGJSA-N 0 0 445.544 5.473 50 0 IKAARN c1coc(CN2CN(c3nc4ccccc4s3)CN(c3nc4ccccc4s3)C2)c1 ZINC000019899443 556941639 /nfs/dbraw/zinc/94/16/39/556941639.db2.gz FMGOGMHYXJFVGC-UHFFFAOYSA-N 0 0 433.562 5.200 50 0 IKAARN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3Cl)CC2)cc1Cl ZINC000019908858 556942584 /nfs/dbraw/zinc/94/25/84/556942584.db2.gz BOTZTPZHUIUQLN-HXUWFJFHSA-N 0 0 445.390 5.017 50 0 IKAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019913576 556943706 /nfs/dbraw/zinc/94/37/06/556943706.db2.gz FLKGBZQACIDHGH-UHFFFAOYSA-N 0 0 429.951 5.369 50 0 IKAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000019925578 556944651 /nfs/dbraw/zinc/94/46/51/556944651.db2.gz CZZXLGDQIUZLGB-UHFFFAOYSA-N 0 0 446.894 5.039 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)cc1 ZINC000019926658 556944930 /nfs/dbraw/zinc/94/49/30/556944930.db2.gz HSXFRLNMCBMVDK-JOCHJYFZSA-N 0 0 445.544 5.520 50 0 IKAARN CCOC(=O)CCCCCc1ccc(Cc2ccc(C(=O)CCCC(=O)OC)cc2)cc1 ZINC000019926188 556944977 /nfs/dbraw/zinc/94/49/77/556944977.db2.gz KGIPFJONRHRFSW-UHFFFAOYSA-N 0 0 438.564 5.469 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1C ZINC000019938407 556952230 /nfs/dbraw/zinc/95/22/30/556952230.db2.gz XFLUGLXYJDNKJQ-HXUWFJFHSA-N 0 0 430.957 5.285 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccc(Cl)c2)N2CCOCC2)c1C ZINC000019938411 556952681 /nfs/dbraw/zinc/95/26/81/556952681.db2.gz GNPURGMZPRJTLQ-HXUWFJFHSA-N 0 0 430.957 5.285 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C)C3 ZINC000019939955 556953554 /nfs/dbraw/zinc/95/35/54/556953554.db2.gz NNQPHFLUSPQWSF-UHFFFAOYSA-N 0 0 443.638 5.116 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000019945498 556954496 /nfs/dbraw/zinc/95/44/96/556954496.db2.gz ZSBBXUSZDYCVGH-UHFFFAOYSA-N 0 0 438.911 5.644 50 0 IKAARN O=c1[nH]c2cc3c(cc2c(-c2ccccc2Br)c1-c1ccccc1)OCCO3 ZINC000019957187 556954880 /nfs/dbraw/zinc/95/48/80/556954880.db2.gz FNJBCRGTJMUHHK-UHFFFAOYSA-N 0 0 434.289 5.396 50 0 IKAARN CCc1nn2c(ncc3c2ccn(-c2ccc(C(C)=O)cc2)c3=O)c1-c1cccc(Cl)c1 ZINC000019962598 556955905 /nfs/dbraw/zinc/95/59/05/556955905.db2.gz OKMCMALLNSNMSO-UHFFFAOYSA-N 0 0 442.906 5.119 50 0 IKAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000020005126 556957985 /nfs/dbraw/zinc/95/79/85/556957985.db2.gz JIXZJUCTFRHXGP-UHFFFAOYSA-N 0 0 438.530 5.135 50 0 IKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)c1 ZINC000072438085 556973007 /nfs/dbraw/zinc/97/30/07/556973007.db2.gz FNWBXCPYYTVVEP-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN COc1cccc(N2CCN(C(=O)c3cc(C)nc4c(-c5ccccc5)cccc34)CC2)c1 ZINC000033264613 556974321 /nfs/dbraw/zinc/97/43/21/556974321.db2.gz NISHCXISTIDHNP-UHFFFAOYSA-N 0 0 437.543 5.181 50 0 IKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000020058982 556975547 /nfs/dbraw/zinc/97/55/47/556975547.db2.gz DEGCPKNXPRABSP-UHFFFAOYSA-N 0 0 449.602 6.644 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000033265390 556975542 /nfs/dbraw/zinc/97/55/42/556975542.db2.gz WSQXUARZNYXELY-XMMPIXPASA-N 0 0 431.898 6.407 50 0 IKAARN Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 ZINC000020058999 556975593 /nfs/dbraw/zinc/97/55/93/556975593.db2.gz RGRAXDVQTOFMNS-UHFFFAOYSA-N 0 0 426.232 5.536 50 0 IKAARN CCC(C)(C)C(=O)[C@H]1[C@@](O)(C(C)(C)CC)C=C(c2ccccc2)C[C@]1(C)c1ccccc1 ZINC000004729219 556976673 /nfs/dbraw/zinc/97/66/73/556976673.db2.gz JYXYBEIHSGHFQN-WKNQFTJWSA-N 0 0 432.648 7.220 50 0 IKAARN O=C1N(Cc2ccc(F)cc2)c2ccccc2C12c1cc(O)ccc1Oc1ccc(O)cc12 ZINC000072422421 556977491 /nfs/dbraw/zinc/97/74/91/556977491.db2.gz APUHJHYOJGLWPE-UHFFFAOYSA-N 0 0 439.442 5.224 50 0 IKAARN CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(Cc1ccccc1)C3 ZINC000020080375 556978684 /nfs/dbraw/zinc/97/86/84/556978684.db2.gz HJNCBDHDAKZBFK-UHFFFAOYSA-N 0 0 425.623 5.243 50 0 IKAARN Nc1nc2sc3c(c2c(C(F)(F)F)c1C(=O)NC12CC4CC(CC(C4)C1)C2)CCC3 ZINC000020071500 556978725 /nfs/dbraw/zinc/97/87/25/556978725.db2.gz RQKRKOPIPXIBBO-UHFFFAOYSA-N 0 0 435.515 5.085 50 0 IKAARN CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000020085940 556978969 /nfs/dbraw/zinc/97/89/69/556978969.db2.gz BYYWEIYBQNVJNG-LRKCNXCPSA-N 0 0 436.502 6.028 50 0 IKAARN CCCc1noc([C@H](C)SC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)n1 ZINC000097002866 556979002 /nfs/dbraw/zinc/97/90/02/556979002.db2.gz LZJRVRFCGSWAEH-FHHIAAGZSA-N 0 0 436.512 5.399 50 0 IKAARN CCCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccccc1 ZINC000033266937 556979030 /nfs/dbraw/zinc/97/90/30/556979030.db2.gz OHQFODFGHBJUIW-RUZDIDTESA-N 0 0 439.563 5.250 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020095357 556979169 /nfs/dbraw/zinc/97/91/69/556979169.db2.gz MPWUHLVHRMYHFD-FQEVSTJZSA-N 0 0 429.442 5.136 50 0 IKAARN CCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(F)c1 ZINC000033267053 556979598 /nfs/dbraw/zinc/97/95/98/556979598.db2.gz QZBKSLNLKYXJDE-XMMPIXPASA-N 0 0 443.526 5.135 50 0 IKAARN CCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(F)c1 ZINC000033267052 556979609 /nfs/dbraw/zinc/97/96/09/556979609.db2.gz QZBKSLNLKYXJDE-DEOSSOPVSA-N 0 0 443.526 5.135 50 0 IKAARN C[C@@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000072427659 556979813 /nfs/dbraw/zinc/97/98/13/556979813.db2.gz WZBIAAUHMSYMJG-OAHLLOKOSA-N 0 0 433.857 6.429 50 0 IKAARN C[C@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000072427658 556979820 /nfs/dbraw/zinc/97/98/20/556979820.db2.gz WZBIAAUHMSYMJG-HNNXBMFYSA-N 0 0 433.857 6.429 50 0 IKAARN CSc1nc2sc3c(c2c(SCC(=O)N[C@H](C)Cc2ccccc2)n1)CCCC3 ZINC000020100287 556979953 /nfs/dbraw/zinc/97/99/53/556979953.db2.gz ONUXWQBEQYZSLH-CQSZACIVSA-N 0 0 443.663 5.132 50 0 IKAARN CSc1nc2sc3c(c2c(SCC(=O)N[C@@H](C)Cc2ccccc2)n1)CCCC3 ZINC000020100285 556980048 /nfs/dbraw/zinc/98/00/48/556980048.db2.gz ONUXWQBEQYZSLH-AWEZNQCLSA-N 0 0 443.663 5.132 50 0 IKAARN Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)NCCCn2ccnc2)cc1 ZINC000072427768 556980099 /nfs/dbraw/zinc/98/00/99/556980099.db2.gz KVMBFLFGKOPPSY-UHFFFAOYSA-N 0 0 432.549 5.126 50 0 IKAARN O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)nc2scc(-c3ccccc3)n21 ZINC000033268794 556985728 /nfs/dbraw/zinc/98/57/28/556985728.db2.gz WUURYJXHDMANFJ-UHFFFAOYSA-N 0 0 437.568 5.625 50 0 IKAARN COCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268857 556986095 /nfs/dbraw/zinc/98/60/95/556986095.db2.gz ZKNHZNIVCWXJGR-UHFFFAOYSA-N 0 0 447.604 5.195 50 0 IKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(F)cc1)C(=O)N2c1ccc(Cl)cc1 ZINC000020131233 556987837 /nfs/dbraw/zinc/98/78/37/556987837.db2.gz WOXKMXXDBRFTMK-RDPSFJRHSA-N 0 0 436.870 5.802 50 0 IKAARN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020137388 556988420 /nfs/dbraw/zinc/98/84/20/556988420.db2.gz AOOBPGMQYNYYNV-UHFFFAOYSA-N 0 0 441.506 5.028 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)no2)cc1OC ZINC000020137534 556988682 /nfs/dbraw/zinc/98/86/82/556988682.db2.gz JHCFVHOGBLSXAI-UHFFFAOYSA-N 0 0 426.778 5.283 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(-c2cccs2)on1 ZINC000020137625 556988706 /nfs/dbraw/zinc/98/87/06/556988706.db2.gz MMCDOIYRVOVUQO-UHFFFAOYSA-N 0 0 447.347 5.824 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097111571 556990306 /nfs/dbraw/zinc/99/03/06/556990306.db2.gz IGXSRPUDPLSOIL-QGZVFWFLSA-N 0 0 441.413 5.189 50 0 IKAARN COc1cccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)c3ccccc3F)c(Cl)nc21 ZINC000097165864 556994723 /nfs/dbraw/zinc/99/47/23/556994723.db2.gz FKPJBFHDESJJLJ-LJQANCHMSA-N 0 0 449.869 5.620 50 0 IKAARN CCCCSc1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)s1 ZINC000023077978 556995942 /nfs/dbraw/zinc/99/59/42/556995942.db2.gz HTVXYRUDGFMRRX-UHFFFAOYSA-N 0 0 441.647 5.986 50 0 IKAARN CCOc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020189994 556996029 /nfs/dbraw/zinc/99/60/29/556996029.db2.gz MLHJLNBAHGATML-NRFANRHFSA-N 0 0 433.895 5.308 50 0 IKAARN COc1ccc(CNc2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000023109793 557003205 /nfs/dbraw/zinc/00/32/05/557003205.db2.gz RHGDTRWEASTRIV-UHFFFAOYSA-N 0 0 432.545 5.305 50 0 IKAARN COc1cccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020274455 557004910 /nfs/dbraw/zinc/00/49/10/557004910.db2.gz DSJOVMDVTCJZDS-FQEVSTJZSA-N 0 0 434.883 5.310 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)c(C)o2)cc1 ZINC000023126195 557007909 /nfs/dbraw/zinc/00/79/09/557007909.db2.gz BWRHXJMCRBNBFB-UHFFFAOYSA-N 0 0 447.560 5.736 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2cc(F)ccc2F)c1C ZINC000020356110 557010294 /nfs/dbraw/zinc/01/02/94/557010294.db2.gz SSEAUHYJXZYZLA-UHFFFAOYSA-N 0 0 426.463 5.256 50 0 IKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1cccc(C(F)(F)F)c1 ZINC000020356857 557010800 /nfs/dbraw/zinc/01/08/00/557010800.db2.gz YMAJGRZQCIGPPY-UHFFFAOYSA-N 0 0 430.451 5.737 50 0 IKAARN COc1ccc(C)cc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020357194 557011174 /nfs/dbraw/zinc/01/11/74/557011174.db2.gz BHIHUEJOAXRQQP-NRFANRHFSA-N 0 0 448.910 5.618 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1C ZINC000023127021 557011689 /nfs/dbraw/zinc/01/16/89/557011689.db2.gz HXFZJXCKMRMLCV-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN CN1CCc2c(sc3nc(SCCCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020358340 557011739 /nfs/dbraw/zinc/01/17/39/557011739.db2.gz HYTDMFLTDRDRNV-UHFFFAOYSA-N 0 0 447.629 5.160 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Cl ZINC000020395425 557013423 /nfs/dbraw/zinc/01/34/23/557013423.db2.gz BCPCJHCPANVRNP-UHFFFAOYSA-N 0 0 431.970 5.258 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1F ZINC000020395501 557013483 /nfs/dbraw/zinc/01/34/83/557013483.db2.gz MZQPBFOIKUJYAA-HXUWFJFHSA-N 0 0 436.874 5.749 50 0 IKAARN Cc1ccc(NC(=S)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1 ZINC000020405963 557013804 /nfs/dbraw/zinc/01/38/04/557013804.db2.gz SOPIKNLSAPSLHH-UHFFFAOYSA-N 0 0 442.938 5.280 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3cccc(C)c3n2)cc1C ZINC000020418349 557014783 /nfs/dbraw/zinc/01/47/83/557014783.db2.gz ZJAXLYBPZAVNGJ-UHFFFAOYSA-N 0 0 449.598 5.785 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3ccccc3Cl)cc(C(F)(F)F)c12 ZINC000045995442 557015157 /nfs/dbraw/zinc/01/51/57/557015157.db2.gz LRUOYHPKOHHDKM-UHFFFAOYSA-N 0 0 431.845 6.289 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3nc(-c4cccc(C)c4)oc3C)cc(C)c12 ZINC000045995087 557015202 /nfs/dbraw/zinc/01/52/02/557015202.db2.gz AFQIIAHLMJBOCU-UHFFFAOYSA-N 0 0 442.494 6.027 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3nc(-c4ccccc4)oc3C)cc(C)c12 ZINC000045995085 557015247 /nfs/dbraw/zinc/01/52/47/557015247.db2.gz PEHIGUYMBNPDTK-UHFFFAOYSA-N 0 0 428.467 5.719 50 0 IKAARN Cn1nccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1Cl)CCCC2 ZINC000020427508 557015705 /nfs/dbraw/zinc/01/57/05/557015705.db2.gz NIOIBEDUDWTSOB-UHFFFAOYSA-N 0 0 449.363 5.172 50 0 IKAARN FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccc3c(c2)CCO3)cc1 ZINC000020432021 557016235 /nfs/dbraw/zinc/01/62/35/557016235.db2.gz ZJAGZDMDUITZRK-QFIPXVFZSA-N 0 0 431.479 5.729 50 0 IKAARN C[C@H]1Nc2nc3ccccc3n2C(c2cccc3ccccc32)=C1C(=O)Nc1ccccc1 ZINC000020428817 557016269 /nfs/dbraw/zinc/01/62/69/557016269.db2.gz DFABJIGWHQIWRJ-GOSISDBHSA-N 0 0 430.511 5.902 50 0 IKAARN O=C(c1ccc(-c2cccs2)s1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020432075 557016578 /nfs/dbraw/zinc/01/65/78/557016578.db2.gz ZGIULBATWCNWEH-UHFFFAOYSA-N 0 0 442.609 6.004 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3cc(Cl)ccc3C)cc(C)c12 ZINC000045990791 557016760 /nfs/dbraw/zinc/01/67/60/557016760.db2.gz OJAJPULTYQYWAD-UHFFFAOYSA-N 0 0 434.927 5.325 50 0 IKAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)cc(-c3ccccc3)c12 ZINC000045992109 557017678 /nfs/dbraw/zinc/01/76/78/557017678.db2.gz HERYHDVZSKGKBA-GOSISDBHSA-N 0 0 428.536 5.473 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1cc(Cl)ccc1C)cc2-c1ccccc1 ZINC000045992238 557017838 /nfs/dbraw/zinc/01/78/38/557017838.db2.gz KUYYTVQXROTUHD-KRWDZBQOSA-N 0 0 448.954 5.794 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)cc2-c1ccccc1 ZINC000045992214 557017857 /nfs/dbraw/zinc/01/78/57/557017857.db2.gz DLTMGXFECSONDM-GOSISDBHSA-N 0 0 442.519 5.035 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1cc(C)cc(C)c1)cc2-c1ccccc1 ZINC000045992368 557018222 /nfs/dbraw/zinc/01/82/22/557018222.db2.gz NIQDGQRZENYHNH-LJQANCHMSA-N 0 0 428.536 5.449 50 0 IKAARN O=C(NCc1cccs1)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)o1 ZINC000023136442 557018910 /nfs/dbraw/zinc/01/89/10/557018910.db2.gz FWSUBNIXXQMARX-UHFFFAOYSA-N 0 0 447.006 6.340 50 0 IKAARN Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)c1 ZINC000010700589 557019022 /nfs/dbraw/zinc/01/90/22/557019022.db2.gz YSBOFBXQKUNXRO-INIZCTEOSA-N 0 0 446.641 6.948 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000046012597 557019149 /nfs/dbraw/zinc/01/91/49/557019149.db2.gz VQBSJLBNFDQEGO-UHFFFAOYSA-N 0 0 426.373 5.345 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)c1 ZINC000046004922 557019447 /nfs/dbraw/zinc/01/94/47/557019447.db2.gz LBPGTCIHCZQZNU-UHFFFAOYSA-N 0 0 436.508 5.055 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)cc1 ZINC000046016855 557019874 /nfs/dbraw/zinc/01/98/74/557019874.db2.gz LEETXYYHANGBMT-UHFFFAOYSA-N 0 0 429.929 5.203 50 0 IKAARN CCc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017062 557020039 /nfs/dbraw/zinc/02/00/39/557020039.db2.gz AKAKIGNJPANLDA-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN CCc1cc(OCC(=O)Nc2ccc(C)c(F)c2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017024 557020179 /nfs/dbraw/zinc/02/01/79/557020179.db2.gz PAYUUYQQWXMMKU-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)NCc1ccc(Cl)cc1 ZINC000046022224 557021937 /nfs/dbraw/zinc/02/19/37/557021937.db2.gz UAYSSNIWSFLASY-UHFFFAOYSA-N 0 0 446.041 5.703 50 0 IKAARN COc1ccc(CNC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1 ZINC000046022229 557021982 /nfs/dbraw/zinc/02/19/82/557021982.db2.gz RKXSUAZZOFBAQB-UHFFFAOYSA-N 0 0 441.622 5.058 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c(Cl)c1 ZINC000046022398 557022169 /nfs/dbraw/zinc/02/21/69/557022169.db2.gz XUOUWUSOPLGKEZ-UHFFFAOYSA-N 0 0 432.014 5.943 50 0 IKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1cc(F)ccc1F ZINC000046022491 557022183 /nfs/dbraw/zinc/02/21/83/557022183.db2.gz LLGUAHKFARFBRO-UHFFFAOYSA-N 0 0 433.549 5.650 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1 ZINC000046022460 557022238 /nfs/dbraw/zinc/02/22/38/557022238.db2.gz DVLIWALSZQHWGF-UHFFFAOYSA-N 0 0 425.623 5.989 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1F ZINC000046022425 557022281 /nfs/dbraw/zinc/02/22/81/557022281.db2.gz NPWMOHPAFKKQBO-UHFFFAOYSA-N 0 0 429.586 5.819 50 0 IKAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccc(Br)cc1 ZINC000046022414 557022302 /nfs/dbraw/zinc/02/23/02/557022302.db2.gz SROILZOYSMGDIY-UHFFFAOYSA-N 0 0 448.411 5.354 50 0 IKAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccccc1Br ZINC000010740865 557022411 /nfs/dbraw/zinc/02/24/11/557022411.db2.gz JTPXDSIBIFRWHT-UHFFFAOYSA-N 0 0 430.302 5.146 50 0 IKAARN Cc1ccc(-c2nc3nc4c(c(Nc5ccc(Br)c(C)c5)n3n2)CCC4)cc1 ZINC000046022850 557022554 /nfs/dbraw/zinc/02/25/54/557022554.db2.gz DTLYQDJNHKIARM-UHFFFAOYSA-N 0 0 434.341 5.403 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N(CCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000109450882 557022987 /nfs/dbraw/zinc/02/29/87/557022987.db2.gz FOJJDJICNAEJFI-UHFFFAOYSA-N 0 0 443.469 5.773 50 0 IKAARN CCc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000043220778 557023264 /nfs/dbraw/zinc/02/32/64/557023264.db2.gz AYYSGUSHQYMCFR-QFIPXVFZSA-N 0 0 446.576 6.073 50 0 IKAARN Cc1cccc(N[C@@H](c2ccsc2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)n1 ZINC000043220775 557023294 /nfs/dbraw/zinc/02/32/94/557023294.db2.gz RRJZFMCSUOIQEL-QFIPXVFZSA-N 0 0 449.601 6.439 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)c4sc5ccccc5c4Cl)n3)oc21 ZINC000010747868 557023609 /nfs/dbraw/zinc/02/36/09/557023609.db2.gz RKKZNPFKFIFURP-UHFFFAOYSA-N 0 0 440.933 6.685 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)c4cccc(Br)c4)n3)oc21 ZINC000010747588 557023654 /nfs/dbraw/zinc/02/36/54/557023654.db2.gz WEJFHHYWYKTZRK-UHFFFAOYSA-N 0 0 429.295 5.580 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)Cc4ccc(SCC)cc4)n3)oc21 ZINC000010750942 557024422 /nfs/dbraw/zinc/02/44/22/557024422.db2.gz IMXFJRAAELGYDG-UHFFFAOYSA-N 0 0 438.574 6.248 50 0 IKAARN CCCCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(C)cc3)cc2=O)s1 ZINC000046032344 557024795 /nfs/dbraw/zinc/02/47/95/557024795.db2.gz LSPIMHQEMFLLNE-UHFFFAOYSA-N 0 0 432.593 5.004 50 0 IKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cnn1-c1ccccc1F ZINC000072069234 557026364 /nfs/dbraw/zinc/02/63/64/557026364.db2.gz HIPZATKRUUYHGH-UHFFFAOYSA-N 0 0 441.919 5.110 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3cc(F)ccc3F)c2C)c1-c1ccc(F)cc1 ZINC000009609335 557026408 /nfs/dbraw/zinc/02/64/08/557026408.db2.gz XFVVZTMFVBIORO-UHFFFAOYSA-N 0 0 438.453 5.310 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056588 557028288 /nfs/dbraw/zinc/02/82/88/557028288.db2.gz AYARSHPIYOWNEJ-IBGZPJMESA-N 0 0 429.907 5.604 50 0 IKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056539 557028420 /nfs/dbraw/zinc/02/84/20/557028420.db2.gz JRGYHJPGVHXVHQ-FQEVSTJZSA-N 0 0 429.907 5.604 50 0 IKAARN CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000060208326 557028723 /nfs/dbraw/zinc/02/87/23/557028723.db2.gz VIZJQINRZVWLNJ-JOCHJYFZSA-N 0 0 430.895 5.483 50 0 IKAARN CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000046058513 557029547 /nfs/dbraw/zinc/02/95/47/557029547.db2.gz WLZZUCNXQRWNHH-UHFFFAOYSA-N 0 0 440.521 5.118 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)Nc3ccccc3)cc2c1 ZINC000046073548 557029883 /nfs/dbraw/zinc/02/98/83/557029883.db2.gz ZPBYDOHWEHEEKO-UHFFFAOYSA-N 0 0 436.558 5.120 50 0 IKAARN CC(C)c1cc(NC(=O)C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)n(C(C)C)n1 ZINC000408518999 557030179 /nfs/dbraw/zinc/03/01/79/557030179.db2.gz QXEOXKVHAVIBEJ-UHFFFAOYSA-N 0 0 444.457 5.249 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022182802 557030973 /nfs/dbraw/zinc/03/09/73/557030973.db2.gz ZOYLCBLHKPYIMT-UHFFFAOYSA-N 0 0 432.376 5.075 50 0 IKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076833 557032712 /nfs/dbraw/zinc/03/27/12/557032712.db2.gz CHVCUYACXUAUJU-GOSISDBHSA-N 0 0 425.525 6.216 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076849 557032751 /nfs/dbraw/zinc/03/27/51/557032751.db2.gz XWACSCGRONHCNW-GOSISDBHSA-N 0 0 425.525 6.216 50 0 IKAARN COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076987 557032757 /nfs/dbraw/zinc/03/27/57/557032757.db2.gz YHAJWHJTLFFVOM-OAHLLOKOSA-N 0 0 432.314 5.799 50 0 IKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076847 557032767 /nfs/dbraw/zinc/03/27/67/557032767.db2.gz XWACSCGRONHCNW-SFHVURJKSA-N 0 0 425.525 6.216 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1C ZINC000046077416 557033017 /nfs/dbraw/zinc/03/30/17/557033017.db2.gz YEXJOASAIJMDQY-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078996 557033808 /nfs/dbraw/zinc/03/38/08/557033808.db2.gz NAFIHYZIPPVHBM-UHFFFAOYSA-N 0 0 442.412 5.690 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078876 557033821 /nfs/dbraw/zinc/03/38/21/557033821.db2.gz IDPRZIFMEOWYNY-UHFFFAOYSA-N 0 0 426.850 5.464 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 ZINC000046078719 557033858 /nfs/dbraw/zinc/03/38/58/557033858.db2.gz MPWDLKOPQYBDCE-UHFFFAOYSA-N 0 0 442.515 5.017 50 0 IKAARN COc1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1OC ZINC000010840542 557034343 /nfs/dbraw/zinc/03/43/43/557034343.db2.gz QPFJQTJIJSAENK-UHFFFAOYSA-N 0 0 428.510 5.914 50 0 IKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)C1=O ZINC000046079407 557034398 /nfs/dbraw/zinc/03/43/98/557034398.db2.gz XOEQYLGYSHPWQM-UHFFFAOYSA-N 0 0 439.559 5.026 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)NCCC4=CCCCC4)cc3)C2=O)cc1 ZINC000046079488 557034432 /nfs/dbraw/zinc/03/44/32/557034432.db2.gz HJZLAGKHCHTNGE-UHFFFAOYSA-N 0 0 431.580 5.448 50 0 IKAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4C)C3=O)cc2)c1 ZINC000046079384 557034444 /nfs/dbraw/zinc/03/44/44/557034444.db2.gz RUWYGRGJVYCKFI-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079782 557035002 /nfs/dbraw/zinc/03/50/02/557035002.db2.gz FSPKWQISPWGQFY-UHFFFAOYSA-N 0 0 447.966 5.145 50 0 IKAARN O=C(c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1)N1CCc2ccccc21 ZINC000046079659 557035085 /nfs/dbraw/zinc/03/50/85/557035085.db2.gz FRVRCMVBRIZQBZ-UHFFFAOYSA-N 0 0 445.950 5.375 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)C1=O ZINC000046079853 557035311 /nfs/dbraw/zinc/03/53/11/557035311.db2.gz YDPZFGSEQPLIEA-OAQYLSRUSA-N 0 0 427.548 5.318 50 0 IKAARN O=C(COC(=O)COc1ccc2oc3c(c2c1)CCCC3)Nc1c(Cl)cccc1Cl ZINC000010841385 557035940 /nfs/dbraw/zinc/03/59/40/557035940.db2.gz LRUXMOPNRXLCGU-UHFFFAOYSA-N 0 0 448.302 5.179 50 0 IKAARN CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)c1 ZINC000017195895 557036526 /nfs/dbraw/zinc/03/65/26/557036526.db2.gz KOPCGTSOUMOBEO-UHFFFAOYSA-N 0 0 447.354 5.622 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000017200850 557040515 /nfs/dbraw/zinc/04/05/15/557040515.db2.gz CQHFNNDYAHHVMU-UHFFFAOYSA-N 0 0 446.535 6.759 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000010866563 557044227 /nfs/dbraw/zinc/04/42/27/557044227.db2.gz JSBWBGHEEXWXGK-OAQYLSRUSA-N 0 0 428.557 5.640 50 0 IKAARN CC[C@H](C)N(C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[C@@H](C)CC ZINC000010866899 557044233 /nfs/dbraw/zinc/04/42/33/557044233.db2.gz YDOBCWRJMIMCFE-KBPBESRZSA-N 0 0 449.667 5.241 50 0 IKAARN CC[C@@H](C)N(C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[C@H](C)CC ZINC000010866912 557044281 /nfs/dbraw/zinc/04/42/81/557044281.db2.gz YDOBCWRJMIMCFE-ZIAGYGMSSA-N 0 0 449.667 5.241 50 0 IKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)nc2)cc1 ZINC000046146431 557044556 /nfs/dbraw/zinc/04/45/56/557044556.db2.gz ZFUGHHIHLXJORH-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN CCN1CCc2c(sc(NC(=O)/C=C\c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288758 557045688 /nfs/dbraw/zinc/04/56/88/557045688.db2.gz MQWDGLHECQAMSF-SEYXRHQNSA-N 0 0 445.613 6.055 50 0 IKAARN CCN1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288771 557045749 /nfs/dbraw/zinc/04/57/49/557045749.db2.gz GJPBDOBGVATDPW-UHFFFAOYSA-N 0 0 447.629 5.974 50 0 IKAARN O=C1C(=Cc2cccc(Br)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000048234961 557046555 /nfs/dbraw/zinc/04/65/55/557046555.db2.gz STPMGALSMKXCHB-ZROIWOOFSA-N 0 0 443.244 5.021 50 0 IKAARN CCOc1cc([C@@H]2Nc3ccc(OC)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000033271129 557046957 /nfs/dbraw/zinc/04/69/57/557046957.db2.gz HJWAKDKYXMBQNI-JHVJFLLYSA-N 0 0 448.357 5.500 50 0 IKAARN CCOC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000017297166 557047174 /nfs/dbraw/zinc/04/71/74/557047174.db2.gz DRLMOQUPKPSXON-UHFFFAOYSA-N 0 0 443.594 5.524 50 0 IKAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4cc(Cl)ccc4C)n3)nc2c1 ZINC000033270726 557047268 /nfs/dbraw/zinc/04/72/68/557047268.db2.gz KAQPDBWCZPMHQJ-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN Cc1cccc(Cl)c1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000033270865 557047731 /nfs/dbraw/zinc/04/77/31/557047731.db2.gz QMDGLABKMKNRRQ-UHFFFAOYSA-N 0 0 444.969 5.505 50 0 IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000048237886 557048007 /nfs/dbraw/zinc/04/80/07/557048007.db2.gz RCXAFJVTZHDEEV-CQSZACIVSA-N 0 0 428.554 5.701 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1)c1ccccc1 ZINC000017269225 557048246 /nfs/dbraw/zinc/04/82/46/557048246.db2.gz BVAYRKCFXQRORR-QHCPKHFHSA-N 0 0 429.568 5.651 50 0 IKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c(C)c1 ZINC000033271016 557048610 /nfs/dbraw/zinc/04/86/10/557048610.db2.gz FQXZYAXNMVZQEO-UHFFFAOYSA-N 0 0 435.553 5.043 50 0 IKAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000033271259 557048890 /nfs/dbraw/zinc/04/88/90/557048890.db2.gz JKIYIHZKGVAUOS-MRXNPFEDSA-N 0 0 448.548 5.062 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000017271669 557049200 /nfs/dbraw/zinc/04/92/00/557049200.db2.gz CRKUUMWRSVZLCH-UHFFFAOYSA-N 0 0 436.577 5.001 50 0 IKAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271530 557049496 /nfs/dbraw/zinc/04/94/96/557049496.db2.gz XAIZMTVUNJSCMC-KRWDZBQOSA-N 0 0 432.549 5.362 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(C4CC4)n3C3CC3)ccc21 ZINC000017280160 557049682 /nfs/dbraw/zinc/04/96/82/557049682.db2.gz GOVFBOBMRDNMCW-OAHLLOKOSA-N 0 0 445.592 5.738 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(OCC)c3)sc2c1 ZINC000033271720 557049722 /nfs/dbraw/zinc/04/97/22/557049722.db2.gz BDWCUBSBYDEHNU-SFHVURJKSA-N 0 0 448.548 5.062 50 0 IKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000048263567 557050134 /nfs/dbraw/zinc/05/01/34/557050134.db2.gz UZXKCQQSZSPYEM-AREMUKBSSA-N 0 0 447.542 5.375 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000048264242 557050588 /nfs/dbraw/zinc/05/05/88/557050588.db2.gz PHCYOUXCFFELIL-XMMPIXPASA-N 0 0 425.536 5.146 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1F ZINC000048265096 557050865 /nfs/dbraw/zinc/05/08/65/557050865.db2.gz YGOAYTKVPHLRFK-LBPRGKRZSA-N 0 0 425.485 5.207 50 0 IKAARN Cc1cc(C(=O)Nc2cccc(Cl)c2C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033272018 557050896 /nfs/dbraw/zinc/05/08/96/557050896.db2.gz WPJWWDPOLXVBGZ-UHFFFAOYSA-N 0 0 426.925 5.015 50 0 IKAARN COc1ccccc1Nc1nc2sc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2s1 ZINC000048265420 557050887 /nfs/dbraw/zinc/05/08/87/557050887.db2.gz GECHHSXFNBCLRF-NSHDSACASA-N 0 0 441.500 5.525 50 0 IKAARN COc1ccccc1Nc1nc2sc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2s1 ZINC000048265422 557050916 /nfs/dbraw/zinc/05/09/16/557050916.db2.gz GECHHSXFNBCLRF-LLVKDONJSA-N 0 0 441.500 5.525 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C(C)C)cc1 ZINC000033273902 557053242 /nfs/dbraw/zinc/05/32/42/557053242.db2.gz RBHJOVNJLYMJEZ-UHFFFAOYSA-N 0 0 446.576 5.022 50 0 IKAARN O=C(c1ccc(Oc2ccccc2Br)nc1)N1CCCc2cc(F)c(F)cc21 ZINC000048287520 557053228 /nfs/dbraw/zinc/05/32/28/557053228.db2.gz CDXFGFXOXOTJFI-UHFFFAOYSA-N 0 0 445.263 5.508 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 ZINC000048288085 557053606 /nfs/dbraw/zinc/05/36/06/557053606.db2.gz DLIUDXNUJWQQHH-HSZRJFAPSA-N 0 0 427.552 5.060 50 0 IKAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000048288038 557053660 /nfs/dbraw/zinc/05/36/60/557053660.db2.gz AGRRBXRGYCOOID-UHFFFAOYSA-N 0 0 439.309 5.238 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 ZINC000004735782 557053807 /nfs/dbraw/zinc/05/38/07/557053807.db2.gz DSYFTFPCOMTHDI-SFHVURJKSA-N 0 0 425.594 6.392 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000017307461 557053895 /nfs/dbraw/zinc/05/38/95/557053895.db2.gz LFZIBNKXVAGWEL-UHFFFAOYSA-N 0 0 442.563 5.386 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C[C@H](C(C)(C)C)CC2)cc1 ZINC000004735792 557053966 /nfs/dbraw/zinc/05/39/66/557053966.db2.gz FEYIPQTWVVBIQP-MRXNPFEDSA-N 0 0 427.566 5.702 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)n2nc(C)nc2n1 ZINC000033276007 557055053 /nfs/dbraw/zinc/05/50/53/557055053.db2.gz VTNBZWJAYAIKOC-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000033275969 557055098 /nfs/dbraw/zinc/05/50/98/557055098.db2.gz CTPNPCNNBHKXQT-UHFFFAOYSA-N 0 0 448.552 5.107 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccn(-c2ccccc2)n1 ZINC000048290874 557055372 /nfs/dbraw/zinc/05/53/72/557055372.db2.gz KUIWOFRMGUBDCK-UHFFFAOYSA-N 0 0 429.320 5.085 50 0 IKAARN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Br ZINC000017312611 557055908 /nfs/dbraw/zinc/05/59/08/557055908.db2.gz RTRYSOIFJKAPNF-HNNXBMFYSA-N 0 0 443.772 6.206 50 0 IKAARN O=C1NCCN1c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000022996673 557056503 /nfs/dbraw/zinc/05/65/03/557056503.db2.gz LLTGARGXEODJMD-UHFFFAOYSA-N 0 0 426.609 5.383 50 0 IKAARN CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316839 557057179 /nfs/dbraw/zinc/05/71/79/557057179.db2.gz SEHSZPALJUIDTP-LJQANCHMSA-N 0 0 439.972 5.280 50 0 IKAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2cccc(C)c2C)cc1 ZINC000032948721 557057765 /nfs/dbraw/zinc/05/77/65/557057765.db2.gz VUENQPCAAGFPPK-NRFANRHFSA-N 0 0 432.520 5.016 50 0 IKAARN CSc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3Cl)s2)cc1 ZINC000010872807 557058050 /nfs/dbraw/zinc/05/80/50/557058050.db2.gz VXOYVFAIXWYPGF-HNNXBMFYSA-N 0 0 432.998 5.426 50 0 IKAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000010874096 557058797 /nfs/dbraw/zinc/05/87/97/557058797.db2.gz AEOWROMYJBOPSI-JTQLQIEISA-N 0 0 443.377 5.499 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278124 557060096 /nfs/dbraw/zinc/06/00/96/557060096.db2.gz JFYQGAFEJROCSD-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc21 ZINC000033278499 557060104 /nfs/dbraw/zinc/06/01/04/557060104.db2.gz UZQSJKVAKANYDJ-UHFFFAOYSA-N 0 0 431.923 6.825 50 0 IKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)Nc1ccccc1F ZINC000033278148 557060128 /nfs/dbraw/zinc/06/01/28/557060128.db2.gz JMGULTHHRNTSEJ-UHFFFAOYSA-N 0 0 439.537 5.015 50 0 IKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1nc(-c2ccccc2)no1 ZINC000033278206 557060144 /nfs/dbraw/zinc/06/01/44/557060144.db2.gz UVFWPTLFFNPBKX-UHFFFAOYSA-N 0 0 446.557 5.487 50 0 IKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc21 ZINC000033278508 557060409 /nfs/dbraw/zinc/06/04/09/557060409.db2.gz ITSIAUPBWVOZSO-UHFFFAOYSA-N 0 0 431.923 6.825 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OCC)c3c2)cc1 ZINC000033278590 557060419 /nfs/dbraw/zinc/06/04/19/557060419.db2.gz FRDPKLOAPRZOEX-UHFFFAOYSA-N 0 0 445.494 6.482 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OC)c3c2)cc1 ZINC000033278656 557060487 /nfs/dbraw/zinc/06/04/87/557060487.db2.gz UZKZYPUOFJXLTB-UHFFFAOYSA-N 0 0 433.895 6.216 50 0 IKAARN CCCOc1ccc(C(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1OC ZINC000023054880 557060503 /nfs/dbraw/zinc/06/05/03/557060503.db2.gz WFXOQMXXWLULMX-UHFFFAOYSA-N 0 0 443.931 5.240 50 0 IKAARN CC(C)c1ccc(C(=O)N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000023057405 557061119 /nfs/dbraw/zinc/06/11/19/557061119.db2.gz XUZKPPSDXOWOBR-UHFFFAOYSA-N 0 0 442.588 5.444 50 0 IKAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N([C@@H](C)C3CC3)C3CC3)c12 ZINC000048300759 557062329 /nfs/dbraw/zinc/06/23/29/557062329.db2.gz HAEHBKHOFIQIKE-ZDUSSCGKSA-N 0 0 429.442 5.620 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1csc(COc2ccc(F)cc2)n1 ZINC000023079870 557062421 /nfs/dbraw/zinc/06/24/21/557062421.db2.gz FNIUKIICUVZHIT-UHFFFAOYSA-N 0 0 425.254 5.015 50 0 IKAARN CC(C)c1nc2cc(NC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)ccc2o1 ZINC000048301066 557062644 /nfs/dbraw/zinc/06/26/44/557062644.db2.gz MWKKQNMUQHWMGH-KRWDZBQOSA-N 0 0 449.454 5.412 50 0 IKAARN CC(C)c1nc2cc(NC(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)ccc2o1 ZINC000048301064 557062693 /nfs/dbraw/zinc/06/26/93/557062693.db2.gz MWKKQNMUQHWMGH-QGZVFWFLSA-N 0 0 449.454 5.412 50 0 IKAARN CC(=O)N(c1nc(COc2c(Cl)cccc2Cl)cs1)c1cccc(Cl)c1 ZINC000023082446 557063111 /nfs/dbraw/zinc/06/31/11/557063111.db2.gz FNNOZUDUFUANFT-UHFFFAOYSA-N 0 0 427.740 6.367 50 0 IKAARN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc3ccc(F)cc3nc2C)cn1 ZINC000048302001 557063100 /nfs/dbraw/zinc/06/31/00/557063100.db2.gz PYIORPHAGQQRML-UHFFFAOYSA-N 0 0 431.467 5.198 50 0 IKAARN COC(=O)c1ccc(C=C(Cl)c2nc(=O)c3c([nH]2)sc(C)c3-c2ccccc2)cc1 ZINC000048302444 557063742 /nfs/dbraw/zinc/06/37/42/557063742.db2.gz PYXGDTLYAJWGMH-SFQUDFHCSA-N 0 0 436.920 5.896 50 0 IKAARN CCc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c1 ZINC000033288467 557065719 /nfs/dbraw/zinc/06/57/19/557065719.db2.gz LZZCVJVKLOODNU-FQEVSTJZSA-N 0 0 432.593 5.354 50 0 IKAARN COc1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(O)c2)cc(OC)c1OC ZINC000023128420 557065748 /nfs/dbraw/zinc/06/57/48/557065748.db2.gz XZASUGLNIGRPEG-AREMUKBSSA-N 0 0 444.531 5.047 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000033288461 557065774 /nfs/dbraw/zinc/06/57/74/557065774.db2.gz ZIKZHBROYWGVRM-FQEVSTJZSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000033288454 557065799 /nfs/dbraw/zinc/06/57/99/557065799.db2.gz QFNFGVXXSCWXCW-FQEVSTJZSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000033288473 557065815 /nfs/dbraw/zinc/06/58/15/557065815.db2.gz ZVARAQOVCLCERD-GOSISDBHSA-N 0 0 436.556 5.239 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 ZINC000033288717 557066088 /nfs/dbraw/zinc/06/60/88/557066088.db2.gz CCQUHSWUDMIDGO-TZIWHRDSSA-N 0 0 432.593 5.030 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 ZINC000033288722 557066138 /nfs/dbraw/zinc/06/61/38/557066138.db2.gz CCQUHSWUDMIDGO-CTNGQTDRSA-N 0 0 432.593 5.030 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)c1 ZINC000033288733 557066165 /nfs/dbraw/zinc/06/61/65/557066165.db2.gz PBMSVXOPCMVPJQ-FQEVSTJZSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 ZINC000017344601 557066702 /nfs/dbraw/zinc/06/67/02/557066702.db2.gz VFTINCOEGSHTRL-KRWDZBQOSA-N 0 0 435.574 5.554 50 0 IKAARN Cc1nc(-c2cc(Br)cs2)sc1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000048326205 557066905 /nfs/dbraw/zinc/06/69/05/557066905.db2.gz YYRBAPGQQVRHLP-AWEZNQCLSA-N 0 0 434.384 5.315 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000048313328 557067277 /nfs/dbraw/zinc/06/72/77/557067277.db2.gz SRZYPVLJNSQJFD-UHFFFAOYSA-N 0 0 425.579 5.266 50 0 IKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1cccc(Br)c1 ZINC000033282182 557067780 /nfs/dbraw/zinc/06/77/80/557067780.db2.gz NXCHDOUALNGBFM-UHFFFAOYSA-N 0 0 426.335 6.162 50 0 IKAARN CCOC(=O)C1CCN(c2cc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3n2)CC1 ZINC000033282542 557068089 /nfs/dbraw/zinc/06/80/89/557068089.db2.gz OPEHDZWPAAMLKO-UHFFFAOYSA-N 0 0 442.519 5.040 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1ccccc1-c1ccccc1 ZINC000048333891 557068546 /nfs/dbraw/zinc/06/85/46/557068546.db2.gz BLJWSGHTFCSCLA-UHFFFAOYSA-N 0 0 425.532 5.241 50 0 IKAARN O=C(CCc1ccccc1)N1CCC(C(=O)O[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000048326335 557068756 /nfs/dbraw/zinc/06/87/56/557068756.db2.gz JCPKADNJWUXCOU-MHZLTWQESA-N 0 0 441.571 5.385 50 0 IKAARN Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000023157201 557070246 /nfs/dbraw/zinc/07/02/46/557070246.db2.gz XRXKJLNNIFNUDF-UHFFFAOYSA-N 0 0 428.333 6.436 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3Cl)sc2c1 ZINC000033289261 557070481 /nfs/dbraw/zinc/07/04/81/557070481.db2.gz FWNCONLJZXZNMU-UHFFFAOYSA-N 0 0 449.384 6.379 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)ccc4C)c(C)c3)sc2c1 ZINC000033289293 557070899 /nfs/dbraw/zinc/07/08/99/557070899.db2.gz IJJRWHIHSMEDPC-UHFFFAOYSA-N 0 0 438.574 5.698 50 0 IKAARN CCc1ccccc1S(=O)(=O)Nc1ccc(-c2nc3ccc(OC)cc3s2)cc1C ZINC000033289310 557070912 /nfs/dbraw/zinc/07/09/12/557070912.db2.gz NGYFHLBFSSWDGC-UHFFFAOYSA-N 0 0 438.574 5.644 50 0 IKAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 ZINC000033289498 557071306 /nfs/dbraw/zinc/07/13/06/557071306.db2.gz MTNOFHGNWBXUKA-FQEVSTJZSA-N 0 0 446.551 5.012 50 0 IKAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c(C)s2)n1 ZINC000033289963 557071912 /nfs/dbraw/zinc/07/19/12/557071912.db2.gz MARICGYOLFFJPS-UHFFFAOYSA-N 0 0 447.376 5.191 50 0 IKAARN CSc1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)c1 ZINC000033296741 557072595 /nfs/dbraw/zinc/07/25/95/557072595.db2.gz LYMJNCLEJLIXBF-UHFFFAOYSA-N 0 0 434.565 5.479 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3cccc(Cl)c3)no2)c1C ZINC000033296866 557072889 /nfs/dbraw/zinc/07/28/89/557072889.db2.gz CJIDKYBXSMQYOZ-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN COc1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1 ZINC000023200437 557072945 /nfs/dbraw/zinc/07/29/45/557072945.db2.gz CZKFMIHWRZVIIW-UHFFFAOYSA-N 0 0 442.515 5.200 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000033296908 557072931 /nfs/dbraw/zinc/07/29/31/557072931.db2.gz GFNWBTRVNKFVGP-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN CCCn1c2ccccc2nc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000023198326 557073002 /nfs/dbraw/zinc/07/30/02/557073002.db2.gz YYMWVDYZKSIXGO-UHFFFAOYSA-N 0 0 447.848 5.557 50 0 IKAARN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297837 557073544 /nfs/dbraw/zinc/07/35/44/557073544.db2.gz SJGRUHYSSGLCNN-CYBMUJFWSA-N 0 0 436.624 5.217 50 0 IKAARN COc1ccc(O[C@H](C)C(=O)N(c2nc3ccccc3s2)c2ccc(C)cc2C)cc1 ZINC000048355519 557073895 /nfs/dbraw/zinc/07/38/95/557073895.db2.gz DHUWJFRJWSFGLX-GOSISDBHSA-N 0 0 432.545 6.054 50 0 IKAARN CC(C)c1ccc(-c2noc(CS(=O)(=O)c3ncc(-c4ccccc4)n3C3CC3)n2)cc1 ZINC000048365629 557074982 /nfs/dbraw/zinc/07/49/82/557074982.db2.gz SEUVTLVPAHZMRT-UHFFFAOYSA-N 0 0 448.548 5.032 50 0 IKAARN CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000033293512 557076386 /nfs/dbraw/zinc/07/63/86/557076386.db2.gz KLPXFZAJJDCXLC-DJKKODMXSA-N 0 0 431.344 6.053 50 0 IKAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000033299267 557077704 /nfs/dbraw/zinc/07/77/04/557077704.db2.gz OEDJJWAQFHUTCZ-UHFFFAOYSA-N 0 0 436.864 5.493 50 0 IKAARN Cc1sc(C)c(S(=O)(=O)NC[C@@H](C)c2ccccc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299377 557077930 /nfs/dbraw/zinc/07/79/30/557077930.db2.gz ZBRLODVHUROTPD-LLVKDONJSA-N 0 0 444.500 5.121 50 0 IKAARN Cc1sc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1-c1cc(C(F)(F)F)on1 ZINC000033299390 557077965 /nfs/dbraw/zinc/07/79/65/557077965.db2.gz OKGBFEHJCQQPDU-UHFFFAOYSA-N 0 0 436.864 5.493 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCCC5)csc4n3)c2)cc1 ZINC000033299458 557078027 /nfs/dbraw/zinc/07/80/27/557078027.db2.gz GSOQUIQHFPXFTK-UHFFFAOYSA-N 0 0 444.560 5.250 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000033299590 557078282 /nfs/dbraw/zinc/07/82/82/557078282.db2.gz RTVRRRVXTHAZCO-INIZCTEOSA-N 0 0 433.499 5.156 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000033299589 557078323 /nfs/dbraw/zinc/07/83/23/557078323.db2.gz RTVRRRVXTHAZCO-MRXNPFEDSA-N 0 0 433.499 5.156 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)s1 ZINC000033299571 557078326 /nfs/dbraw/zinc/07/83/26/557078326.db2.gz BGJGYBBLOUMBAA-JOCHJYFZSA-N 0 0 433.621 5.302 50 0 IKAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1ccsc1-c1nc(-c2cccc(F)c2)no1 ZINC000049001817 557081086 /nfs/dbraw/zinc/08/10/86/557081086.db2.gz SYSSXCYMCWMKBW-UHFFFAOYSA-N 0 0 449.916 5.083 50 0 IKAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cccc(Cl)c3)n2)cc1 ZINC000049001798 557081166 /nfs/dbraw/zinc/08/11/66/557081166.db2.gz GBYNPRDSRJWAJW-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN CCCCn1c(SCCOc2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000048989005 557083077 /nfs/dbraw/zinc/08/30/77/557083077.db2.gz PULDXNFEXMFSMS-UHFFFAOYSA-N 0 0 429.542 5.117 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CC(C)(C)C)CC2 ZINC000023307002 557083526 /nfs/dbraw/zinc/08/35/26/557083526.db2.gz JAWBHRZBUQWQCO-JOCHJYFZSA-N 0 0 435.486 5.633 50 0 IKAARN COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)c(C)o2)cc1 ZINC000048989885 557083727 /nfs/dbraw/zinc/08/37/27/557083727.db2.gz MLNLGRRYDTZPEN-UHFFFAOYSA-N 0 0 434.517 5.054 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(OC)c1 ZINC000049005006 557083973 /nfs/dbraw/zinc/08/39/73/557083973.db2.gz AAEDMXXLZLODLM-SFHVURJKSA-N 0 0 434.540 5.104 50 0 IKAARN COc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1F ZINC000023333654 557084406 /nfs/dbraw/zinc/08/44/06/557084406.db2.gz HKKNBPJSCPBRGC-DEOSSOPVSA-N 0 0 438.930 5.035 50 0 IKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccc2)cc1 ZINC000049005549 557084474 /nfs/dbraw/zinc/08/44/74/557084474.db2.gz DDUVKLWKJFMLRS-UHFFFAOYSA-N 0 0 426.520 5.956 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2cccc(OC(F)(F)F)c2)n1 ZINC000049005418 557084516 /nfs/dbraw/zinc/08/45/16/557084516.db2.gz XMFMDJSHDVQUOT-AWEZNQCLSA-N 0 0 444.457 5.453 50 0 IKAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccccc3Cl)cc2)CC1 ZINC000049006012 557084773 /nfs/dbraw/zinc/08/47/73/557084773.db2.gz FQEMYPRQPGMRRS-UHFFFAOYSA-N 0 0 436.943 5.089 50 0 IKAARN O=C(c1cc(Cl)cnc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023335625 557084825 /nfs/dbraw/zinc/08/48/25/557084825.db2.gz DKMJROFRMXFZPB-NRFANRHFSA-N 0 0 444.337 5.075 50 0 IKAARN C[C@H]1CCCN(c2cc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncn2)C1 ZINC000049006691 557085425 /nfs/dbraw/zinc/08/54/25/557085425.db2.gz LZIYVLBYASCMAD-LBPRGKRZSA-N 0 0 444.910 5.116 50 0 IKAARN CC1CCN(c2cc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncn2)CC1 ZINC000049006687 557085430 /nfs/dbraw/zinc/08/54/30/557085430.db2.gz SFHKGAXOOIXBFM-UHFFFAOYSA-N 0 0 444.910 5.116 50 0 IKAARN Cc1cc(SCC(=O)Nc2ccccc2Br)nc(-c2ccc(F)cc2)n1 ZINC000049007041 557085640 /nfs/dbraw/zinc/08/56/40/557085640.db2.gz YSVNMUFLBNLDBQ-UHFFFAOYSA-N 0 0 432.318 5.084 50 0 IKAARN O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1cc2ccccc2[nH]1 ZINC000033307422 557086720 /nfs/dbraw/zinc/08/67/20/557086720.db2.gz MAPSVRBDOYCGRW-UHFFFAOYSA-N 0 0 444.878 5.703 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)Cc3csc(Nc4ccc(Cl)cn4)n3)c2)cs1 ZINC000049029718 557088939 /nfs/dbraw/zinc/08/89/39/557088939.db2.gz SBVREYJLYLHRIJ-UHFFFAOYSA-N 0 0 441.969 5.548 50 0 IKAARN Cc1csc(-c2cc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)c(C)s2)n1 ZINC000033308465 557089172 /nfs/dbraw/zinc/08/91/72/557089172.db2.gz VNXTWSDVRCBUFA-CYBMUJFWSA-N 0 0 431.970 5.133 50 0 IKAARN Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3Cl)n3c4ccccc4nc32)cc1 ZINC000023382106 557089219 /nfs/dbraw/zinc/08/92/19/557089219.db2.gz XBBNWYRVSMNWCG-JOCHJYFZSA-N 0 0 444.922 5.115 50 0 IKAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)Nc1ccccc1C(F)(F)F ZINC000049030452 557089307 /nfs/dbraw/zinc/08/93/07/557089307.db2.gz QUTHDZHJIWTYPT-HNNXBMFYSA-N 0 0 433.430 5.127 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000011327495 557090982 /nfs/dbraw/zinc/09/09/82/557090982.db2.gz HOGZYDTYKXJCTD-UHFFFAOYSA-N 0 0 425.488 5.538 50 0 IKAARN O=C(c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1)N1CCCCCC1 ZINC000049003679 557091747 /nfs/dbraw/zinc/09/17/47/557091747.db2.gz BTQYPLJEPUGBFN-UHFFFAOYSA-N 0 0 449.864 5.018 50 0 IKAARN COc1ccccc1Nc1ncc(C(=O)Nc2cc(Cl)ccc2OC)c2ccccc12 ZINC000004760771 557092053 /nfs/dbraw/zinc/09/20/53/557092053.db2.gz JAVBZQJDRLHKDF-UHFFFAOYSA-N 0 0 433.895 5.901 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000049004595 557092946 /nfs/dbraw/zinc/09/29/46/557092946.db2.gz MBXPELIQPCLTPV-UHFFFAOYSA-N 0 0 438.531 5.497 50 0 IKAARN Cc1c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)sc2cccc(F)c12 ZINC000060238036 557094020 /nfs/dbraw/zinc/09/40/20/557094020.db2.gz AZSDEUMDZROTDU-UHFFFAOYSA-N 0 0 442.519 5.527 50 0 IKAARN Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)n1 ZINC000004762629 557094252 /nfs/dbraw/zinc/09/42/52/557094252.db2.gz NTSACAVBFVGKDN-QWRLVCTISA-N 0 0 445.607 5.251 50 0 IKAARN Cc1cccc(NC(=O)[C@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)n1 ZINC000004762625 557094261 /nfs/dbraw/zinc/09/42/61/557094261.db2.gz NTSACAVBFVGKDN-PPXQLYMYSA-N 0 0 445.607 5.251 50 0 IKAARN Cc1cccc(Oc2cc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)ncn2)c1C ZINC000033312018 557096013 /nfs/dbraw/zinc/09/60/13/557096013.db2.gz JRPJOKKDKCXPIR-UHFFFAOYSA-N 0 0 434.584 5.109 50 0 IKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000033312266 557096447 /nfs/dbraw/zinc/09/64/47/557096447.db2.gz ZDNJUTGCRKKGOV-UHFFFAOYSA-N 0 0 430.371 6.081 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(-c3cccc(C)c3)nc3ccccn32)cc1Cl ZINC000033312682 557096477 /nfs/dbraw/zinc/09/64/77/557096477.db2.gz QQPOIRSXMHVEDI-UHFFFAOYSA-N 0 0 436.899 5.624 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1cccc(-c2nccnc2N2CCCC2)c1 ZINC000033312955 557097924 /nfs/dbraw/zinc/09/79/24/557097924.db2.gz KYCMEXCXDMZXDR-UHFFFAOYSA-N 0 0 437.341 5.067 50 0 IKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000033313128 557098327 /nfs/dbraw/zinc/09/83/27/557098327.db2.gz BBDKTVYIJLSHQG-UHFFFAOYSA-N 0 0 440.469 5.083 50 0 IKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC ZINC000004767950 557098617 /nfs/dbraw/zinc/09/86/17/557098617.db2.gz WNGKTPGCOOQZMB-QHCPKHFHSA-N 0 0 435.524 5.076 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccccc1Cl ZINC000033316539 557098860 /nfs/dbraw/zinc/09/88/60/557098860.db2.gz XCRQIDZIMFMREH-OJLWIZQOSA-N 0 0 427.935 5.924 50 0 IKAARN COc1cccc([C@@H](Nc2nc(-c3ccsc3)nc3ccccc32)c2nccn2C)c1 ZINC000017591201 557099391 /nfs/dbraw/zinc/09/93/91/557099391.db2.gz TXNMUIJHFVAUDY-OAQYLSRUSA-N 0 0 427.533 5.302 50 0 IKAARN Cc1nc(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)[nH]c1Cc1ccccc1 ZINC000023593310 557100053 /nfs/dbraw/zinc/10/00/53/557100053.db2.gz XQTTZAUUSMSNCI-UHFFFAOYSA-N 0 0 445.592 5.151 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3cccc(C)c3n2)cc1 ZINC000008450247 557100276 /nfs/dbraw/zinc/10/02/76/557100276.db2.gz YFVKFESRPBJWLI-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1Br ZINC000011339566 557100534 /nfs/dbraw/zinc/10/05/34/557100534.db2.gz QTZAKOGWYYISAR-UHFFFAOYSA-N 0 0 446.348 5.291 50 0 IKAARN Clc1cccc(-c2nnc(Cc3nc(-c4ccccc4OCc4ccccc4)no3)o2)c1 ZINC000049405299 557100628 /nfs/dbraw/zinc/10/06/28/557100628.db2.gz NUBMOCJHOPQLEE-UHFFFAOYSA-N 0 0 444.878 5.610 50 0 IKAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2CC(C)C)sc1C ZINC000072191959 557102100 /nfs/dbraw/zinc/10/21/00/557102100.db2.gz VMJFGUKOXSXZPC-MRXNPFEDSA-N 0 0 429.615 5.102 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCn4c5ccc(Cl)cc5nc4C3)cc2)cc1 ZINC000033320617 557103864 /nfs/dbraw/zinc/10/38/64/557103864.db2.gz YXVHEEXXLSVQGR-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN Cc1ccc(-c2nnc([C@H](C)Sc3ncnc4sc(-c5ccccc5)cc43)o2)cc1 ZINC000017661209 557105551 /nfs/dbraw/zinc/10/55/51/557105551.db2.gz ONPQEBZCZUFKOR-HNNXBMFYSA-N 0 0 430.558 6.570 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cccc2ncccc21 ZINC000023210320 557105752 /nfs/dbraw/zinc/10/57/52/557105752.db2.gz HNTAPJYJERWSGX-LBPRGKRZSA-N 0 0 425.514 5.088 50 0 IKAARN COc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)Nc2ccc(C)cc2)cc1 ZINC000033323396 557107838 /nfs/dbraw/zinc/10/78/38/557107838.db2.gz YSXHFKMMPFVZQW-NLRVBDNBSA-N 0 0 436.511 5.566 50 0 IKAARN CCOc1ccc(Nc2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000049421534 557108093 /nfs/dbraw/zinc/10/80/93/557108093.db2.gz ZMNWERUKNQJNMV-UHFFFAOYSA-N 0 0 434.517 5.219 50 0 IKAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc3c2=O)cc1 ZINC000049421470 557108114 /nfs/dbraw/zinc/10/81/14/557108114.db2.gz PDLIEAVIJFEKMP-UHFFFAOYSA-N 0 0 444.918 5.087 50 0 IKAARN Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2C)c1 ZINC000086069971 557108396 /nfs/dbraw/zinc/10/83/96/557108396.db2.gz VJFRLGRQMQCQON-UHFFFAOYSA-N 0 0 427.552 5.195 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1F ZINC000033326751 557108614 /nfs/dbraw/zinc/10/86/14/557108614.db2.gz QCESBSKCXZSAQW-UHFFFAOYSA-N 0 0 448.546 6.365 50 0 IKAARN O=C(Nc1cccc(F)c1)c1cn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cn1 ZINC000049421938 557108930 /nfs/dbraw/zinc/10/89/30/557108930.db2.gz ASYYIJYHEXCBPX-UHFFFAOYSA-N 0 0 448.885 5.229 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(F)c(F)c4)c3)cc2)c1 ZINC000049422132 557108936 /nfs/dbraw/zinc/10/89/36/557108936.db2.gz CXFOELSNQIJKCF-UHFFFAOYSA-N 0 0 446.457 5.023 50 0 IKAARN Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)cc1 ZINC000049421963 557108945 /nfs/dbraw/zinc/10/89/45/557108945.db2.gz PRWBJMQWLOPHAC-UHFFFAOYSA-N 0 0 430.552 5.401 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(F)c(F)c4)c3)cc2)cc1 ZINC000049422133 557108991 /nfs/dbraw/zinc/10/89/91/557108991.db2.gz JBJWRAWAFRFMNR-UHFFFAOYSA-N 0 0 446.457 5.023 50 0 IKAARN Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)c1 ZINC000049422193 557109194 /nfs/dbraw/zinc/10/91/94/557109194.db2.gz YGFKGJOAVOFROZ-UHFFFAOYSA-N 0 0 430.552 5.401 50 0 IKAARN O=C(Nc1ccccc1)c1cn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cn1 ZINC000049422258 557109244 /nfs/dbraw/zinc/10/92/44/557109244.db2.gz PQXGTKCHIFFVLG-UHFFFAOYSA-N 0 0 430.895 5.089 50 0 IKAARN Cc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cn1 ZINC000049422223 557109247 /nfs/dbraw/zinc/10/92/47/557109247.db2.gz AQGDFTDRKYLERH-UHFFFAOYSA-N 0 0 444.922 5.398 50 0 IKAARN COc1cccc(-c2nc(COC(=O)c3cc4ccc(F)cc4nc3C)cs2)c1OC ZINC000010923407 557111720 /nfs/dbraw/zinc/11/17/20/557111720.db2.gz KMUIGZLFBMDNSM-UHFFFAOYSA-N 0 0 438.480 5.180 50 0 IKAARN CSc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)c3c2sc(=O)n3C)cc1 ZINC000049549187 557112601 /nfs/dbraw/zinc/11/26/01/557112601.db2.gz GHEXQCARAAHFCA-AWEZNQCLSA-N 0 0 434.945 5.162 50 0 IKAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)ccc1OCc1ccccc1F ZINC000049550408 557113257 /nfs/dbraw/zinc/11/32/57/557113257.db2.gz MHQOABGVDFCYDT-QFIPXVFZSA-N 0 0 441.528 5.270 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011361638 557113545 /nfs/dbraw/zinc/11/35/45/557113545.db2.gz LUNOMYBNWCJIDR-UHFFFAOYSA-N 0 0 439.265 5.601 50 0 IKAARN O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000049597422 557114851 /nfs/dbraw/zinc/11/48/51/557114851.db2.gz HQMABEROLPRVBG-UHFFFAOYSA-N 0 0 434.948 5.826 50 0 IKAARN Cc1cc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000011370625 557115267 /nfs/dbraw/zinc/11/52/67/557115267.db2.gz RIBKHLMMIXNDED-UHFFFAOYSA-N 0 0 428.414 5.559 50 0 IKAARN Cn1c(CN[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc2ccccc21 ZINC000049622852 557115551 /nfs/dbraw/zinc/11/55/51/557115551.db2.gz ZMIYZWIDHMMCGR-QFIPXVFZSA-N 0 0 439.346 5.350 50 0 IKAARN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629722 557115812 /nfs/dbraw/zinc/11/58/12/557115812.db2.gz GXQWYGAPVUILRW-NDEPHWFRSA-N 0 0 442.603 5.888 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000023793481 557116304 /nfs/dbraw/zinc/11/63/04/557116304.db2.gz OBPWJTHAWLIWFQ-UHFFFAOYSA-N 0 0 443.906 5.078 50 0 IKAARN COc1c2c(cc3c1[C@@H](CC(=O)C1CCCCCCCCCCC1)N(C)CC3)OCO2 ZINC000049586664 557116611 /nfs/dbraw/zinc/11/66/11/557116611.db2.gz URAXPBQLFVGQED-OAQYLSRUSA-N 0 0 429.601 5.833 50 0 biogenic IKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1OCC ZINC000004783921 557116962 /nfs/dbraw/zinc/11/69/62/557116962.db2.gz KXIMFFUCPHXCKB-YCRPNKLZSA-N 0 0 428.598 6.125 50 0 IKAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](Cc3ccccc3)c3nc4ccccc4[nH]3)o2)cc1 ZINC000049590319 557116935 /nfs/dbraw/zinc/11/69/35/557116935.db2.gz DEQXBSZPIMFRNR-XMMPIXPASA-N 0 0 449.510 5.739 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 ZINC000049655128 557117376 /nfs/dbraw/zinc/11/73/76/557117376.db2.gz PZJSOJXSJGBDPL-DEOSSOPVSA-N 0 0 431.561 5.425 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)C1=O ZINC000004784375 557117591 /nfs/dbraw/zinc/11/75/91/557117591.db2.gz CTVRCVAIAQHOEX-MUUNZHRXSA-N 0 0 427.544 5.434 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 ZINC000049651004 557117567 /nfs/dbraw/zinc/11/75/67/557117567.db2.gz WXCXFWAZJSWENY-XMMPIXPASA-N 0 0 431.561 5.507 50 0 IKAARN O=C(/C=C\c1c(F)cccc1Cl)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000033334186 557117654 /nfs/dbraw/zinc/11/76/54/557117654.db2.gz VDEXLRJRGGXQIF-PFONDFGASA-N 0 0 431.898 5.661 50 0 IKAARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033332710 557117911 /nfs/dbraw/zinc/11/79/11/557117911.db2.gz UYZQQJIVSASBPU-ALCCZGGFSA-N 0 0 429.269 5.374 50 0 IKAARN CCC(C)(C)C1CCC2(CC1)S[C@@H](C)C(=O)N2c1ccc(OCc2ccccc2)cc1 ZINC000049947097 557118788 /nfs/dbraw/zinc/11/87/88/557118788.db2.gz PVVZWJPVEYKMNH-JIZYPXFJSA-N 0 0 437.649 7.057 50 0 IKAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000014900848 557119298 /nfs/dbraw/zinc/11/92/98/557119298.db2.gz IIAJCVUJRDVLMF-UHFFFAOYSA-N 0 0 442.466 5.120 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2F)n2c(nc3ccccc32)N1 ZINC000004786467 557119393 /nfs/dbraw/zinc/11/93/93/557119393.db2.gz NXJSTONMYRYHNE-JOCHJYFZSA-N 0 0 432.886 5.756 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccccc1OC(F)(F)F ZINC000010927569 557119536 /nfs/dbraw/zinc/11/95/36/557119536.db2.gz WKXGJWNPYVFLBO-UHFFFAOYSA-N 0 0 430.386 5.423 50 0 IKAARN CCc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004787331 557119564 /nfs/dbraw/zinc/11/95/64/557119564.db2.gz KNFHKGYLPHPXTI-DEOSSOPVSA-N 0 0 442.950 6.180 50 0 IKAARN CCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004787197 557119709 /nfs/dbraw/zinc/11/97/09/557119709.db2.gz HSCMQLHVBYITGZ-DEOSSOPVSA-N 0 0 431.536 5.600 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(C)c1 ZINC000023830595 557119711 /nfs/dbraw/zinc/11/97/11/557119711.db2.gz XSCWMZVFRMBYCP-RUZDIDTESA-N 0 0 433.527 5.001 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 ZINC000004786538 557119874 /nfs/dbraw/zinc/11/98/74/557119874.db2.gz PRHRNEZNIAQNMJ-QHCPKHFHSA-N 0 0 444.922 5.626 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3C(=O)c3ccccc3)n2)c1 ZINC000014903493 557119900 /nfs/dbraw/zinc/11/99/00/557119900.db2.gz GUCRLCRBLLBSGM-UHFFFAOYSA-N 0 0 444.512 5.311 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000004786723 557119932 /nfs/dbraw/zinc/11/99/32/557119932.db2.gz COWGUGYUPXKJIP-QHCPKHFHSA-N 0 0 428.467 5.112 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000004786796 557119969 /nfs/dbraw/zinc/11/99/69/557119969.db2.gz SMIDDVWKIBVAOA-HSZRJFAPSA-N 0 0 444.922 5.626 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1Cl ZINC000001180333 557120017 /nfs/dbraw/zinc/12/00/17/557120017.db2.gz AKDNBGRHVUSMOB-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000210974658 557120075 /nfs/dbraw/zinc/12/00/75/557120075.db2.gz PZFCNDBOSZDDGN-HAHDFKILSA-N 0 0 430.529 5.680 50 0 IKAARN CCOc1ccc2nc(NC(=O)Cc3csc(Nc4cccc(Cl)c4)n3)sc2c1 ZINC000023236581 557120219 /nfs/dbraw/zinc/12/02/19/557120219.db2.gz BBUKVPGVPOAOJF-UHFFFAOYSA-N 0 0 444.969 5.730 50 0 IKAARN Cc1cccc(C)c1Nc1c(-c2ccc(-c3ccccc3)s2)nc2ccc(Cl)cn21 ZINC000004789125 557120322 /nfs/dbraw/zinc/12/03/22/557120322.db2.gz ZVCAJXYHYNQDLD-UHFFFAOYSA-N 0 0 429.976 7.744 50 0 IKAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(C)c(Br)c2)n[nH]1 ZINC000085824790 557120674 /nfs/dbraw/zinc/12/06/74/557120674.db2.gz FYHHGDPZNZCBJG-UHFFFAOYSA-N 0 0 437.341 5.683 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1)C1CCOCC1 ZINC000024643671 557121077 /nfs/dbraw/zinc/12/10/77/557121077.db2.gz JBUJLZGHFMACNL-UHFFFAOYSA-N 0 0 435.907 5.728 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C)c(I)cc2C)c1 ZINC000001118759 557121280 /nfs/dbraw/zinc/12/12/80/557121280.db2.gz RWTZALVCJMAMMQ-UHFFFAOYSA-N 0 0 437.321 5.357 50 0 IKAARN Cc1cccc(NC(=O)CSC2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 ZINC000000625432 557122086 /nfs/dbraw/zinc/12/20/86/557122086.db2.gz UOWIFADNVVUEIL-PXLXIMEGSA-N 0 0 445.519 5.250 50 0 IKAARN O=c1[nH]c2cc3c(cc2c(-c2ccc(Cl)cc2)c1COCc1ccccc1)OCCO3 ZINC000098086848 557123040 /nfs/dbraw/zinc/12/30/40/557123040.db2.gz FJGIXDHKXZSPQY-UHFFFAOYSA-N 0 0 433.891 5.337 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1 ZINC000098086916 557123638 /nfs/dbraw/zinc/12/36/38/557123638.db2.gz ZSXGQWJPIPSRRK-UHFFFAOYSA-N 0 0 429.545 6.053 50 0 IKAARN COc1ccc(OCCn2cc(/C=C3/N=C(c4ccccc4)OC3=O)c3ccccc32)cc1 ZINC000000640689 557123787 /nfs/dbraw/zinc/12/37/87/557123787.db2.gz SEUHQFIGYFDQFD-JJIBRWJFSA-N 0 0 438.483 5.073 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000004791142 557124724 /nfs/dbraw/zinc/12/47/24/557124724.db2.gz VBFSAZIJKOLUQN-UHFFFAOYSA-N 0 0 425.941 5.821 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(C(F)(F)F)c4)c3n2)cc1 ZINC000000649064 557124767 /nfs/dbraw/zinc/12/47/67/557124767.db2.gz QVKOIOCBOOMWLD-UHFFFAOYSA-N 0 0 446.379 5.913 50 0 IKAARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccc(C)cc2)c1 ZINC000606422391 557125039 /nfs/dbraw/zinc/12/50/39/557125039.db2.gz WCJGIWAOTDKNBT-UHFFFAOYSA-N 0 0 425.532 5.567 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000606422414 557125085 /nfs/dbraw/zinc/12/50/85/557125085.db2.gz XYWGHUBLYXUPOD-YOEHRIQHSA-N 0 0 434.754 6.184 50 0 IKAARN CC[C@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000606422419 557125090 /nfs/dbraw/zinc/12/50/90/557125090.db2.gz ZLHCIFDYFRXRTH-IBGZPJMESA-N 0 0 430.957 5.615 50 0 IKAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccccc2)cc1F ZINC000606422239 557125154 /nfs/dbraw/zinc/12/51/54/557125154.db2.gz DHGAJIZEQATJTI-UHFFFAOYSA-N 0 0 443.522 5.787 50 0 IKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793163 557125450 /nfs/dbraw/zinc/12/54/50/557125450.db2.gz NCWSTRASNGPMQZ-IZZNHLLZSA-N 0 0 437.543 5.290 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(Br)c1)c2Nc1ccc2c(c1)OCCO2 ZINC000004794019 557126060 /nfs/dbraw/zinc/12/60/60/557126060.db2.gz QTDDHFLMIIVVTJ-UHFFFAOYSA-N 0 0 436.309 5.587 50 0 IKAARN CCc1cc(I)ccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001861677 557126307 /nfs/dbraw/zinc/12/63/07/557126307.db2.gz OCUCGIVYFKKPBF-UHFFFAOYSA-N 0 0 441.312 5.624 50 0 IKAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004793558 557126398 /nfs/dbraw/zinc/12/63/98/557126398.db2.gz QLGWBIDLUMAOEG-IZZNHLLZSA-N 0 0 437.543 5.290 50 0 IKAARN CCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004793562 557126471 /nfs/dbraw/zinc/12/64/71/557126471.db2.gz QLGWBIDLUMAOEG-FTJBHMTQSA-N 0 0 437.543 5.290 50 0 IKAARN O=C(NCCC1=CCCCC1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000000651867 557127282 /nfs/dbraw/zinc/12/72/82/557127282.db2.gz XGKYGXSVHQMQCI-UHFFFAOYSA-N 0 0 435.365 6.285 50 0 IKAARN CSc1nc2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2s1 ZINC000023968016 557128280 /nfs/dbraw/zinc/12/82/80/557128280.db2.gz PJJQTBBFXUALGR-UHFFFAOYSA-N 0 0 439.562 5.383 50 0 IKAARN CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000017917129 557128619 /nfs/dbraw/zinc/12/86/19/557128619.db2.gz JEPNRTSXXRYJPJ-UHFFFAOYSA-N 0 0 431.348 5.125 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cc(C)ccc2C)cc1 ZINC000000652499 557129359 /nfs/dbraw/zinc/12/93/59/557129359.db2.gz LOPQSUJMZFTEGP-UHFFFAOYSA-N 0 0 436.577 5.063 50 0 IKAARN CC[C@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000000655340 557129593 /nfs/dbraw/zinc/12/95/93/557129593.db2.gz JSSWNDBLBFNMLK-NSHDSACASA-N 0 0 442.894 5.535 50 0 IKAARN CCc1ccc(Nc2nnc(SCc3csc(-c4ccc(Cl)cc4)n3)s2)cc1 ZINC000023983123 557129534 /nfs/dbraw/zinc/12/95/34/557129534.db2.gz XXSDVMCONZXVON-UHFFFAOYSA-N 0 0 445.038 6.913 50 0 IKAARN CC[C@H](c1nnc(SCc2csc(-c3ccccc3)n2)n1Cc1ccccc1)N(C)C ZINC000023983190 557129541 /nfs/dbraw/zinc/12/95/41/557129541.db2.gz SBPRRODYBPAACX-OAQYLSRUSA-N 0 0 449.649 5.755 50 0 IKAARN c1csc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2Cc2ccccc2)c1 ZINC000023989474 557129989 /nfs/dbraw/zinc/12/99/89/557129989.db2.gz OELURWGFTGMBTL-UHFFFAOYSA-N 0 0 446.626 6.471 50 0 IKAARN CCOc1ccc2nc(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)sc2c1 ZINC000000659786 557130210 /nfs/dbraw/zinc/13/02/10/557130210.db2.gz VCTJOECWNOQNDI-UHFFFAOYSA-N 0 0 431.728 5.673 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4cccc(Cl)c4)sc3n2)cc1 ZINC000000661535 557131120 /nfs/dbraw/zinc/13/11/20/557131120.db2.gz PTYUBBBFCWRJSY-UHFFFAOYSA-N 0 0 437.952 5.180 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c3cc2C1 ZINC000000661708 557131157 /nfs/dbraw/zinc/13/11/57/557131157.db2.gz RDAVFDHCERQHOU-LLVKDONJSA-N 0 0 430.371 5.408 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1OC ZINC000002648537 557132827 /nfs/dbraw/zinc/13/28/27/557132827.db2.gz IYNUXBVHSUTOTR-UHFFFAOYSA-N 0 0 426.900 5.990 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 ZINC000000674379 557133222 /nfs/dbraw/zinc/13/32/22/557133222.db2.gz BTCGYLHYQQRGFT-IAGOWNOFSA-N 0 0 448.876 5.435 50 0 IKAARN O=C(Nc1cccc(O)c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000673801 557133448 /nfs/dbraw/zinc/13/34/48/557133448.db2.gz JEWKVAYOSXNLFR-WCQYABFASA-N 0 0 442.850 5.216 50 0 IKAARN O=C(Nc1cccc(O)c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000673803 557133513 /nfs/dbraw/zinc/13/35/13/557133513.db2.gz JEWKVAYOSXNLFR-DGCLKSJQSA-N 0 0 442.850 5.216 50 0 IKAARN CC[C@H](COC(=O)Nc1cccc2ccccc21)N1C(=O)CS[C@@H]1c1ccc(C)cc1 ZINC000000675806 557133715 /nfs/dbraw/zinc/13/37/15/557133715.db2.gz FKGQHNYPBDOSPA-HYBUGGRVSA-N 0 0 434.561 5.750 50 0 IKAARN CC[C@H](COC(=O)Nc1cccc2ccccc21)N1C(=O)CS[C@H]1c1ccc(C)cc1 ZINC000000675810 557133775 /nfs/dbraw/zinc/13/37/75/557133775.db2.gz FKGQHNYPBDOSPA-YKSBVNFPSA-N 0 0 434.561 5.750 50 0 IKAARN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002879744 557133782 /nfs/dbraw/zinc/13/37/82/557133782.db2.gz UAFMCMXHEXLCBD-UHFFFAOYSA-N 0 0 445.769 5.896 50 0 IKAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000024749838 557134007 /nfs/dbraw/zinc/13/40/07/557134007.db2.gz JZDCMVRNTDXAFG-UHFFFAOYSA-N 0 0 429.925 5.243 50 0 IKAARN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccccc2)OC1=O)c1ccccc1 ZINC000002979067 557134486 /nfs/dbraw/zinc/13/44/86/557134486.db2.gz XQGFYKDVPYEVMQ-XMHGGMMESA-N 0 0 448.272 5.013 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000002985043 557134726 /nfs/dbraw/zinc/13/47/26/557134726.db2.gz SWEISNCINLQKTQ-UHFFFAOYSA-N 0 0 449.557 5.194 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1I ZINC000002998210 557134827 /nfs/dbraw/zinc/13/48/27/557134827.db2.gz VRJQPKISRVBURU-UHFFFAOYSA-N 0 0 441.312 5.243 50 0 IKAARN COc1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c(OC)c1 ZINC000024759140 557134997 /nfs/dbraw/zinc/13/49/97/557134997.db2.gz IXJDURZENDBJAT-XSFVSMFZSA-N 0 0 425.431 5.485 50 0 IKAARN CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(Br)cc1 ZINC000090549590 557134996 /nfs/dbraw/zinc/13/49/96/557134996.db2.gz LAHSPJHDQUQBTB-UHFFFAOYSA-N 0 0 434.421 8.141 50 0 IKAARN CCOc1ccc2ccccc2c1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000000680083 557135000 /nfs/dbraw/zinc/13/50/00/557135000.db2.gz BEKUMCZNDCDDDN-UHFFFAOYSA-N 0 0 440.330 6.042 50 0 IKAARN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(-c2ccccc2)cc1 ZINC000002882254 557135154 /nfs/dbraw/zinc/13/51/54/557135154.db2.gz GIBMTYIUZHQKMC-UHFFFAOYSA-N 0 0 429.314 5.382 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000002886704 557135231 /nfs/dbraw/zinc/13/52/31/557135231.db2.gz LGQHRQZDGCJYMP-UHFFFAOYSA-N 0 0 429.072 6.407 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000009130309 557135504 /nfs/dbraw/zinc/13/55/04/557135504.db2.gz AZTUEGNRIIFWSD-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@H]1C[C@@H]1c1cnn(C)c1 ZINC000072285474 557136243 /nfs/dbraw/zinc/13/62/43/557136243.db2.gz UCUDLEVPXNFKND-RPBOFIJWSA-N 0 0 431.580 5.077 50 0 IKAARN CC(C)CC(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000000693569 557137060 /nfs/dbraw/zinc/13/70/60/557137060.db2.gz UYWPPVNWSFVOHI-UHFFFAOYSA-N 0 0 446.473 5.725 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2ccccc2Cl)c1)c1ccc(Br)cc1 ZINC000000694543 557137477 /nfs/dbraw/zinc/13/74/77/557137477.db2.gz RHWABMNHDYLUNJ-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccccc1I)oc1ccccc12 ZINC000003567045 557138133 /nfs/dbraw/zinc/13/81/33/557138133.db2.gz PSDKWQSKBMTCHZ-UHFFFAOYSA-N 0 0 443.240 5.452 50 0 IKAARN O=C(COc1ccc(F)cc1)Nc1nnc(SCc2cccc3ccccc32)s1 ZINC000000702325 557138072 /nfs/dbraw/zinc/13/80/72/557138072.db2.gz YEWWGKJSCOUNMF-UHFFFAOYSA-N 0 0 425.510 5.140 50 0 IKAARN CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000024770022 557138105 /nfs/dbraw/zinc/13/81/05/557138105.db2.gz FYCITOJPDFURLJ-GIDUJCDVSA-N 0 0 435.955 5.892 50 0 IKAARN CCOC(=O)c1c2cc(OCC(=O)OCc3ccccc3)ccc2oc1-c1ccccc1 ZINC000000703418 557138351 /nfs/dbraw/zinc/13/83/51/557138351.db2.gz ODIPRMMGBWRZIP-UHFFFAOYSA-N 0 0 430.456 5.399 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 ZINC000000706006 557140061 /nfs/dbraw/zinc/14/00/61/557140061.db2.gz VJHLYOHAZAJINH-UHFFFAOYSA-N 0 0 439.606 5.398 50 0 IKAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1cccc2ccccc21 ZINC000000707252 557140389 /nfs/dbraw/zinc/14/03/89/557140389.db2.gz VXJVVXGKRNKSQF-NRFANRHFSA-N 0 0 441.560 5.662 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Cl ZINC000004109830 557141298 /nfs/dbraw/zinc/14/12/98/557141298.db2.gz ZKDUGZFNWMRZFB-UHFFFAOYSA-N 0 0 441.906 5.394 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000024226769 557141690 /nfs/dbraw/zinc/14/16/90/557141690.db2.gz DRDIFHOFMNFMPX-VWLOTQADSA-N 0 0 427.573 5.423 50 0 IKAARN O=C(NCCCCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000003144509 557143619 /nfs/dbraw/zinc/14/36/19/557143619.db2.gz BBTXZWNNDDRBHI-UHFFFAOYSA-N 0 0 448.566 5.961 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000003146075 557144080 /nfs/dbraw/zinc/14/40/80/557144080.db2.gz RNOHEJPLQGHZGB-CLRKOJPHSA-N 0 0 441.530 5.713 50 0 IKAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(c2nnc3ccccn32)CC1 ZINC000024327478 557144221 /nfs/dbraw/zinc/14/42/21/557144221.db2.gz VVLCFZBKRVHQKC-UHFFFAOYSA-N 0 0 440.425 5.028 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccccc1F ZINC000003147041 557144701 /nfs/dbraw/zinc/14/47/01/557144701.db2.gz PDWJCJOHPZERNH-QHCPKHFHSA-N 0 0 438.930 5.802 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(C)c1 ZINC000000713857 557145333 /nfs/dbraw/zinc/14/53/33/557145333.db2.gz QCHDMRVIUFOGAW-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1 ZINC000409415383 557145573 /nfs/dbraw/zinc/14/55/73/557145573.db2.gz DQYCAMCXDOLDEP-FQEVSTJZSA-N 0 0 428.463 5.089 50 0 IKAARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@]1(CCOC(C)(C)OC1)O2 ZINC000409419872 557146295 /nfs/dbraw/zinc/14/62/95/557146295.db2.gz JPCPUGHXRFGTIL-DYQOPPFFSA-N 0 0 436.633 5.451 50 0 IKAARN COc1cc2c(cc1NC(=O)C1(S(=O)(=O)c3ccccc3)CCCC1)oc1ccccc12 ZINC000011426805 557146307 /nfs/dbraw/zinc/14/63/07/557146307.db2.gz OIYZMTGNOKNNEB-UHFFFAOYSA-N 0 0 449.528 5.320 50 0 IKAARN CC[C@@H](C)n1c(S[C@@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 ZINC000011424524 557146357 /nfs/dbraw/zinc/14/63/57/557146357.db2.gz SBXNDTGFOCMKIO-AUUYWEPGSA-N 0 0 441.622 5.017 50 0 IKAARN CC[C@@H](C)n1c(S[C@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 ZINC000011424516 557146367 /nfs/dbraw/zinc/14/63/67/557146367.db2.gz SBXNDTGFOCMKIO-KUHUBIRLSA-N 0 0 441.622 5.017 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000024469190 557147779 /nfs/dbraw/zinc/14/77/79/557147779.db2.gz RWLYIDOSDAFDQB-UHFFFAOYSA-N 0 0 447.507 6.019 50 0 IKAARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3\SC(=N)NC3=O)cc2Cl)c1 ZINC000016247440 557148077 /nfs/dbraw/zinc/14/80/77/557148077.db2.gz COQBZUXWQOMNEF-NDENLUEZSA-N 0 0 430.957 5.368 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cc(=O)[nH]c3ccccc32)c2ccccc2)c1 ZINC000011458273 557150897 /nfs/dbraw/zinc/15/08/97/557150897.db2.gz AOOCFWIGBVONCP-DEOSSOPVSA-N 0 0 426.472 5.094 50 0 IKAARN COc1ccc(NC(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCCCC2)cc1 ZINC000016400826 557151108 /nfs/dbraw/zinc/15/11/08/557151108.db2.gz YCMKSKGGBSSRQR-UHFFFAOYSA-N 0 0 435.549 5.252 50 0 IKAARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000723964 557152167 /nfs/dbraw/zinc/15/21/67/557152167.db2.gz GUJOQBLZORARSG-UHFFFAOYSA-N 0 0 446.455 5.439 50 0 biogenic IKAARN O=C(NCc1ccc(F)cc1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000726434 557152732 /nfs/dbraw/zinc/15/27/32/557152732.db2.gz RHQMDCKVAJGTIV-UHFFFAOYSA-N 0 0 448.807 5.138 50 0 IKAARN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)c(F)c1 ZINC000095067895 557156167 /nfs/dbraw/zinc/15/61/67/557156167.db2.gz YELZZOHADNPCGU-UHFFFAOYSA-N 0 0 432.620 5.061 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000011512850 557156447 /nfs/dbraw/zinc/15/64/47/557156447.db2.gz HLBHOHWBZQTESJ-UHFFFAOYSA-N 0 0 440.952 5.685 50 0 IKAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cc2ccccc2oc1=O ZINC000011520955 557156792 /nfs/dbraw/zinc/15/67/92/557156792.db2.gz QTZFIYIVWMCXRC-UHFFFAOYSA-N 0 0 431.300 5.399 50 0 IKAARN CN(Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1C2CC3CC(C2)CC1C3 ZINC000024657529 557157663 /nfs/dbraw/zinc/15/76/63/557157663.db2.gz LOFOOFMYIBOGLO-UHFFFAOYSA-N 0 0 449.599 5.318 50 0 IKAARN O[C@@]1(C(F)(F)F)[C@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957565 557158742 /nfs/dbraw/zinc/15/87/42/557158742.db2.gz JEOQAKYOQCNWOA-HNAYVOBHSA-N 0 0 435.858 5.111 50 0 IKAARN O[C@@]1(C(F)(F)F)[C@@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957563 557158783 /nfs/dbraw/zinc/15/87/83/557158783.db2.gz JEOQAKYOQCNWOA-DNVCBOLYSA-N 0 0 435.858 5.111 50 0 IKAARN Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@H]4[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957567 557158792 /nfs/dbraw/zinc/15/87/92/557158792.db2.gz SNXRDYREUBKUGY-DYESRHJHSA-N 0 0 429.467 5.156 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1)c1ccco1 ZINC000011526130 557159625 /nfs/dbraw/zinc/15/96/25/557159625.db2.gz XBZROKYIKCKPSK-UHFFFAOYSA-N 0 0 431.473 5.098 50 0 IKAARN Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000024735166 557161059 /nfs/dbraw/zinc/16/10/59/557161059.db2.gz HDZGGHYGTDWZPE-OAHLLOKOSA-N 0 0 448.375 5.646 50 0 IKAARN O=C(Nc1cccc(-c2nnco2)c1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000024737362 557161069 /nfs/dbraw/zinc/16/10/69/557161069.db2.gz HYQXHEHSVIUPNP-UHFFFAOYSA-N 0 0 441.878 5.495 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc3ccccc32)cc1 ZINC000024746759 557161300 /nfs/dbraw/zinc/16/13/00/557161300.db2.gz ODLMVEMVMRYULO-UHFFFAOYSA-N 0 0 425.488 5.151 50 0 IKAARN CCOC(=O)CC1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000024745565 557161444 /nfs/dbraw/zinc/16/14/44/557161444.db2.gz RNCYUQCEPNSOJD-UHFFFAOYSA-N 0 0 431.617 5.112 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCC(C)C)[C@H]2c2ccsc2)cc1 ZINC000095929199 557161554 /nfs/dbraw/zinc/16/15/54/557161554.db2.gz VVOIPIOEQBNGNG-DNQXCXABSA-N 0 0 448.588 5.404 50 0 IKAARN C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000024747524 557161758 /nfs/dbraw/zinc/16/17/58/557161758.db2.gz OKGXKLNFUIWVPL-INIZCTEOSA-N 0 0 445.544 5.117 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000024751768 557162603 /nfs/dbraw/zinc/16/26/03/557162603.db2.gz OSGUSINHLBYOSS-JOCHJYFZSA-N 0 0 447.604 5.211 50 0 IKAARN O=C(NC1CC1)c1ccc(CN(Cc2csc(-c3ccsc3)n2)Cc2ccco2)cc1 ZINC000024762928 557164532 /nfs/dbraw/zinc/16/45/32/557164532.db2.gz PGCSEFLPRDRZHH-UHFFFAOYSA-N 0 0 449.601 5.559 50 0 IKAARN CCCc1ccc([C@@H](NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)C)cc1 ZINC000024767253 557165203 /nfs/dbraw/zinc/16/52/03/557165203.db2.gz ZUSODGZHRNDRPM-NRFANRHFSA-N 0 0 426.561 5.369 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(C(F)(F)F)nc1 ZINC000206896791 557165695 /nfs/dbraw/zinc/16/56/95/557165695.db2.gz LEKRBBQHWNUFLM-UHFFFAOYSA-N 0 0 443.425 6.282 50 0 IKAARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC[C@@H]1CCCN(c2nccs2)C1 ZINC000206833012 557165940 /nfs/dbraw/zinc/16/59/40/557165940.db2.gz OLCJHNMZOXOALM-IBGZPJMESA-N 0 0 439.556 5.040 50 0 IKAARN CCCc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cc1 ZINC000024832226 557166016 /nfs/dbraw/zinc/16/60/16/557166016.db2.gz OCOZXAXIYKAMOT-UHFFFAOYSA-N 0 0 442.363 5.510 50 0 IKAARN COc1ccc2cc([C@@H](C)C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)ccc2c1 ZINC000024836277 557166441 /nfs/dbraw/zinc/16/64/41/557166441.db2.gz SPNKSVRWVUMQDN-CQSZACIVSA-N 0 0 445.346 5.356 50 0 IKAARN CCOC(=O)c1c2cc(O)ccc2n(Cc2ccccc2)c1-c1ccc(OC(C)=O)cc1 ZINC000003154758 557166802 /nfs/dbraw/zinc/16/68/02/557166802.db2.gz XOLSCIUVGUAVNO-UHFFFAOYSA-N 0 0 429.472 5.164 50 0 IKAARN Cc1ccc(NC(=O)N(CC(=O)N(Cc2cccs2)Cc2ccccc2)CC2CC2)cc1 ZINC000000742818 557167657 /nfs/dbraw/zinc/16/76/57/557167657.db2.gz MIGDQUBTGMJCCF-UHFFFAOYSA-N 0 0 447.604 5.529 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000024843414 557168290 /nfs/dbraw/zinc/16/82/90/557168290.db2.gz OYOMQARXXLVTDW-AREMUKBSSA-N 0 0 429.564 5.868 50 0 IKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1ccc(C(=O)OC)cc1 ZINC000023305013 557169839 /nfs/dbraw/zinc/16/98/39/557169839.db2.gz RIBQNFQCSNSBFI-INIZCTEOSA-N 0 0 443.565 5.814 50 0 IKAARN Ic1ccsc1/C=C\c1sccc1I ZINC000008431216 557170051 /nfs/dbraw/zinc/17/00/51/557170051.db2.gz YNEGNZGVFGURBW-UPHRSURJSA-N 0 0 444.100 5.189 50 0 IKAARN CCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 ZINC000000756799 557170262 /nfs/dbraw/zinc/17/02/62/557170262.db2.gz AMRGOBUQBWEOLU-UHFFFAOYSA-N 0 0 431.561 6.140 50 0 IKAARN COc1cc(CCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1 ZINC000024830956 557170361 /nfs/dbraw/zinc/17/03/61/557170361.db2.gz HUJYDLCZCWONDA-IBGZPJMESA-N 0 0 446.547 5.108 50 0 IKAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024831352 557170384 /nfs/dbraw/zinc/17/03/84/557170384.db2.gz BXIHZWJRHPBXOH-ZCYQVOJMSA-N 0 0 440.499 5.070 50 0 IKAARN C[C@H](NC(=O)c1ccccc1SCC(=O)NC1CC1)c1ccc(-c2ccccc2)cc1 ZINC000024831747 557170602 /nfs/dbraw/zinc/17/06/02/557170602.db2.gz SOPNYRCAQKIBDP-SFHVURJKSA-N 0 0 430.573 5.215 50 0 IKAARN CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)cc1 ZINC000207015967 557170610 /nfs/dbraw/zinc/17/06/10/557170610.db2.gz VPFJSVTVUQOFLN-GOSISDBHSA-N 0 0 441.622 5.322 50 0 IKAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024831358 557170623 /nfs/dbraw/zinc/17/06/23/557170623.db2.gz BXIHZWJRHPBXOH-NOZRDPDXSA-N 0 0 440.499 5.070 50 0 IKAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024831355 557170672 /nfs/dbraw/zinc/17/06/72/557170672.db2.gz BXIHZWJRHPBXOH-UKILVPOCSA-N 0 0 440.499 5.070 50 0 IKAARN C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(F)cc1F ZINC000024831535 557170720 /nfs/dbraw/zinc/17/07/20/557170720.db2.gz XVJLARYHOWOKBJ-NSHDSACASA-N 0 0 431.895 5.434 50 0 IKAARN CCCc1noc([C@@H](C)SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)n1 ZINC000024832057 557170866 /nfs/dbraw/zinc/17/08/66/557170866.db2.gz LZJRVRFCGSWAEH-ATPAHOSSSA-N 0 0 436.512 5.399 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1Br ZINC000008756326 557171077 /nfs/dbraw/zinc/17/10/77/557171077.db2.gz ZEJGGOWVTGVUSE-UHFFFAOYSA-N 0 0 429.295 5.580 50 0 IKAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1csc(-c2ccco2)n1 ZINC000024832994 557171170 /nfs/dbraw/zinc/17/11/70/557171170.db2.gz AJOAWEQOAOKCCI-UHFFFAOYSA-N 0 0 441.578 5.220 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000024833375 557171244 /nfs/dbraw/zinc/17/12/44/557171244.db2.gz OSFZFBBIHQEQSV-UHFFFAOYSA-N 0 0 426.545 5.516 50 0 IKAARN CCC(=O)c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C(=O)CC)cc3)c2)cc1 ZINC000000777995 557172937 /nfs/dbraw/zinc/17/29/37/557172937.db2.gz MDXJWQQAKKTBPA-UHFFFAOYSA-N 0 0 430.456 5.310 50 0 IKAARN COc1ccc(-c2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cs2)c(OC)c1 ZINC000024843672 557173836 /nfs/dbraw/zinc/17/38/36/557173836.db2.gz VVDLWLLHQRTNGN-GOSISDBHSA-N 0 0 430.595 5.070 50 0 IKAARN Cc1ccc(O)c([C@@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c1 ZINC000000781883 557176481 /nfs/dbraw/zinc/17/64/81/557176481.db2.gz DFFMLDHMGXGQDA-DEOSSOPVSA-N 0 0 429.560 5.087 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H](C)Oc1ccc(C)cc1)CC2 ZINC000024924044 557179362 /nfs/dbraw/zinc/17/93/62/557179362.db2.gz FRHRICKQKHAGBQ-OSPHWJPCSA-N 0 0 437.561 5.015 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H](C)Oc1ccc(C)cc1)CC2 ZINC000024924035 557179566 /nfs/dbraw/zinc/17/95/66/557179566.db2.gz FRHRICKQKHAGBQ-MZNJEOGPSA-N 0 0 437.561 5.015 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc12 ZINC000000783335 557180118 /nfs/dbraw/zinc/18/01/18/557180118.db2.gz SUBNLPQBQSDOBC-UHFFFAOYSA-N 0 0 430.558 6.080 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000024927437 557180414 /nfs/dbraw/zinc/18/04/14/557180414.db2.gz HXOQIAAHQBADNW-JOCHJYFZSA-N 0 0 430.558 5.196 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)C3CCN(C(=O)C(C)(C)C)CC3)nc21 ZINC000024929345 557180941 /nfs/dbraw/zinc/18/09/41/557180941.db2.gz KPMAGQZVDYGQLT-UHFFFAOYSA-N 0 0 449.620 5.423 50 0 IKAARN CCn1cc(C(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2CC)c2ccccc21 ZINC000009096326 557182029 /nfs/dbraw/zinc/18/20/29/557182029.db2.gz KRYHAVGPABFHBX-QGZVFWFLSA-N 0 0 434.565 5.388 50 0 IKAARN O=C(NCCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 ZINC000009264902 557182802 /nfs/dbraw/zinc/18/28/02/557182802.db2.gz VKYSOQVAJXIGAJ-UHFFFAOYSA-N 0 0 448.979 5.186 50 0 IKAARN CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1c(C)cccc1C ZINC000097987575 557183859 /nfs/dbraw/zinc/18/38/59/557183859.db2.gz ZBVSOPCEVCRKFW-CIAFOILYSA-N 0 0 445.544 5.406 50 0 IKAARN CC(=O)N(c1nc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cs1)c1cccc(C)c1C ZINC000097987517 557183915 /nfs/dbraw/zinc/18/39/15/557183915.db2.gz SBHFRSNVLIAXST-CIAFOILYSA-N 0 0 445.544 5.406 50 0 IKAARN Fc1ccc(OCc2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000024971431 557184013 /nfs/dbraw/zinc/18/40/13/557184013.db2.gz LBSGWBCBPSXUBA-MRXNPFEDSA-N 0 0 439.581 5.851 50 0 IKAARN COc1ccc(-c2cc(CN(C)C(=O)C3c4ccccc4Oc4ccccc43)on2)cc1 ZINC000024976941 557184895 /nfs/dbraw/zinc/18/48/95/557184895.db2.gz GGMOXKNQVXUXPG-UHFFFAOYSA-N 0 0 426.472 5.246 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OC ZINC000024977968 557184954 /nfs/dbraw/zinc/18/49/54/557184954.db2.gz WQWVHEOAKFEUOK-IBGZPJMESA-N 0 0 433.982 5.658 50 0 IKAARN C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)c2ccccc2S1 ZINC000024979624 557185260 /nfs/dbraw/zinc/18/52/60/557185260.db2.gz YPGSQJWJEJIJSV-INIZCTEOSA-N 0 0 432.593 5.566 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000022238466 557186636 /nfs/dbraw/zinc/18/66/36/557186636.db2.gz JAEIKXOWISSSIN-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN COc1ccc(-n2c(SCc3nc(C(C)C)no3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000024987340 557186844 /nfs/dbraw/zinc/18/68/44/557186844.db2.gz XFSZSUAPILGZBX-UHFFFAOYSA-N 0 0 441.944 5.395 50 0 IKAARN Brc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1 ZINC000024989078 557187084 /nfs/dbraw/zinc/18/70/84/557187084.db2.gz VXDUJSMIIFVWNC-UHFFFAOYSA-N 0 0 431.340 5.532 50 0 IKAARN O=C(Nc1cccc(F)c1)c1ccccc1NC(=O)c1ccc(F)cc1Br ZINC000024989883 557187410 /nfs/dbraw/zinc/18/74/10/557187410.db2.gz GVSXVFXMYBYJHR-UHFFFAOYSA-N 0 0 431.236 5.232 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccccc2Br)CCCCC1 ZINC000003176201 557187599 /nfs/dbraw/zinc/18/75/99/557187599.db2.gz OIYOIHUWJMFDIY-UHFFFAOYSA-N 0 0 443.385 5.480 50 0 IKAARN Cc1ccc(Sc2nc3ccccc3nc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000024993441 557188359 /nfs/dbraw/zinc/18/83/59/557188359.db2.gz KJMCZZVTTHHKKK-UHFFFAOYSA-N 0 0 435.574 5.223 50 0 IKAARN CC(C)c1cc(Br)ccc1NC(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000009426741 557188587 /nfs/dbraw/zinc/18/85/87/557188587.db2.gz GNTHVKZUVRDGHQ-UHFFFAOYSA-N 0 0 431.359 5.088 50 0 IKAARN CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1c(F)cccc1Cl ZINC000009582502 557190370 /nfs/dbraw/zinc/19/03/70/557190370.db2.gz DFDRZCVLSGLGAO-UHFFFAOYSA-N 0 0 432.952 5.181 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1C(C)C ZINC000009593544 557190578 /nfs/dbraw/zinc/19/05/78/557190578.db2.gz KOYQQEIGMYPJJY-UHFFFAOYSA-N 0 0 446.523 5.064 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(Br)cc3C(C)C)n[nH]2)cc1 ZINC000009614909 557191804 /nfs/dbraw/zinc/19/18/04/557191804.db2.gz RPKUULPTHKOHHE-UHFFFAOYSA-N 0 0 445.386 5.397 50 0 IKAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCc1c(F)cccc1Cl ZINC000009614942 557192137 /nfs/dbraw/zinc/19/21/37/557192137.db2.gz BGXQJXNONQSJKV-UHFFFAOYSA-N 0 0 432.952 5.181 50 0 IKAARN CCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N/c1ccccc1 ZINC000100857901 557193038 /nfs/dbraw/zinc/19/30/38/557193038.db2.gz FNIIDLFBVQRTOZ-OCEACIFDSA-N 0 0 447.629 6.871 50 0 IKAARN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(Cc2cccs2)CC1 ZINC000025065363 557193849 /nfs/dbraw/zinc/19/38/49/557193849.db2.gz MFKYIZFSTHCCFA-UHFFFAOYSA-N 0 0 429.545 5.028 50 0 IKAARN COCCn1c2ccc(Cl)cc2sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000100872499 557193848 /nfs/dbraw/zinc/19/38/48/557193848.db2.gz NIHQNPLAVZMAGK-LCUIJRPUSA-N 0 0 436.964 5.262 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(Cc3nc4cc(Cl)ccc4o3)c2)cc1C(F)(F)F ZINC000096278940 557193975 /nfs/dbraw/zinc/19/39/75/557193975.db2.gz WNOUPARLNMQLKC-UHFFFAOYSA-N 0 0 444.840 6.652 50 0 IKAARN COc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1OCc1cc(F)ccc1F ZINC000096280643 557193979 /nfs/dbraw/zinc/19/39/79/557193979.db2.gz QJZNMFWEGMPPOT-UHFFFAOYSA-N 0 0 428.822 5.923 50 0 IKAARN Cc1sc2nc([C@@H](C)SCC(=O)N[C@@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C ZINC000025068831 557194251 /nfs/dbraw/zinc/19/42/51/557194251.db2.gz ZWGVGTKPGKUYFD-GXTWGEPZSA-N 0 0 441.578 5.019 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)c4cccs4)nn32)cc1 ZINC000100865739 557194804 /nfs/dbraw/zinc/19/48/04/557194804.db2.gz WMKSVLFJKVZPBJ-IBGZPJMESA-N 0 0 447.951 5.610 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000025082138 557194854 /nfs/dbraw/zinc/19/48/54/557194854.db2.gz HOJHOLFNNIDMIE-QFIPXVFZSA-N 0 0 443.547 5.207 50 0 IKAARN CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000100873256 557196217 /nfs/dbraw/zinc/19/62/17/557196217.db2.gz WXDVBDHVEQVOGG-RQZHXJHFSA-N 0 0 444.556 5.020 50 0 IKAARN CCc1ccc(-c2noc(CCC(=O)NCCc3ccc(-c4csc(C)n4)cc3)n2)cc1 ZINC000025162905 557197836 /nfs/dbraw/zinc/19/78/36/557197836.db2.gz UPBISYHKCCIEQQ-UHFFFAOYSA-N 0 0 446.576 5.022 50 0 IKAARN COc1cc2c(cc1OC)CN(C(=O)C(C(C)=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000100887536 557198231 /nfs/dbraw/zinc/19/82/31/557198231.db2.gz HJWLDOSTUUQPHF-LGUFXXKBSA-N 0 0 443.543 5.253 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1ccc(F)cc1 ZINC000100891430 557198583 /nfs/dbraw/zinc/19/85/83/557198583.db2.gz FBOXTCORMNLVAT-NRFANRHFSA-N 0 0 445.885 5.379 50 0 IKAARN CC(=O)N1CCc2cc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4Cl)s3)ccc21 ZINC000025178670 557198622 /nfs/dbraw/zinc/19/86/22/557198622.db2.gz LLQHGZDSVRMGTA-UHFFFAOYSA-N 0 0 446.359 5.202 50 0 IKAARN CCOc1ccc(Nc2c3cc(CC)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100893869 557199025 /nfs/dbraw/zinc/19/90/25/557199025.db2.gz MQZDZMYTJLWOFR-UHFFFAOYSA-N 0 0 446.572 6.081 50 0 IKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100904622 557199935 /nfs/dbraw/zinc/19/99/35/557199935.db2.gz AHBVEJGRKQGFOL-NRFANRHFSA-N 0 0 437.305 6.447 50 0 IKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100904625 557200005 /nfs/dbraw/zinc/20/00/05/557200005.db2.gz AHBVEJGRKQGFOL-OAQYLSRUSA-N 0 0 437.305 6.447 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(Cc3ccccc3)o2)cs1)c1ccccc1F ZINC000025228117 557200372 /nfs/dbraw/zinc/20/03/72/557200372.db2.gz ZMNGLCBCWFYNSP-UHFFFAOYSA-N 0 0 440.525 5.233 50 0 IKAARN O=C(C=Cc1csc(-c2ccc(F)cc2)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000025250180 557201089 /nfs/dbraw/zinc/20/10/89/557201089.db2.gz NVHFZWVTAAVMAR-BQYQJAHWSA-N 0 0 430.508 5.155 50 0 IKAARN CN(C)[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000011563523 557201119 /nfs/dbraw/zinc/20/11/19/557201119.db2.gz BGBAYYPOMIRUOG-QFIPXVFZSA-N 0 0 446.938 5.090 50 0 IKAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025265286 557201692 /nfs/dbraw/zinc/20/16/92/557201692.db2.gz OYQIQFNLJWEUFQ-UHFFFAOYSA-N 0 0 440.465 5.133 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000025276420 557202103 /nfs/dbraw/zinc/20/21/03/557202103.db2.gz PKNMFMZEHAFBGR-UHFFFAOYSA-N 0 0 442.928 5.467 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000025276129 557202166 /nfs/dbraw/zinc/20/21/66/557202166.db2.gz DEIKNRRUAHFOGO-UHFFFAOYSA-N 0 0 441.491 5.029 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)COc1ccc2oc3ccccc3c2c1 ZINC000025274797 557202192 /nfs/dbraw/zinc/20/21/92/557202192.db2.gz GICDEQMVIRGUPD-UHFFFAOYSA-N 0 0 431.448 5.047 50 0 IKAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1C(C)C ZINC000033370366 557202926 /nfs/dbraw/zinc/20/29/26/557202926.db2.gz YAULDMOMLBICBT-UHFFFAOYSA-N 0 0 449.986 5.583 50 0 IKAARN CCOC(=O)COc1cc2c(cc1Br)n(-c1ccc(C)cc1)c(C)c2C(C)=O ZINC000096551504 557202981 /nfs/dbraw/zinc/20/29/81/557202981.db2.gz PBZFROSYYYBEMO-UHFFFAOYSA-N 0 0 444.325 5.154 50 0 IKAARN COc1cc2c(C(=O)c3ccccc3)c(-c3ccccc3)n(CC(C)C)c2c2ccccc12 ZINC000096602696 557203770 /nfs/dbraw/zinc/20/37/70/557203770.db2.gz NJANHAWKPOYANR-UHFFFAOYSA-N 0 0 433.551 7.357 50 0 IKAARN CCO[P@@](=O)(NCc1ccccc1)C(NC(=O)c1ccc(C)cc1)=C(Cl)Cl ZINC000072238698 557204471 /nfs/dbraw/zinc/20/44/71/557204471.db2.gz YKNPJBSXJINTRB-HHHXNRCGSA-N 0 0 427.268 5.348 50 0 IKAARN CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(OCC)cc32)cc1 ZINC000096837285 557205507 /nfs/dbraw/zinc/20/55/07/557205507.db2.gz HMRKQMJXEZRUFK-UHFFFAOYSA-N 0 0 427.548 6.007 50 0 IKAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nn(CN3CCOCC3)c2=S)c(C)c1 ZINC000025357206 557205886 /nfs/dbraw/zinc/20/58/86/557205886.db2.gz OJKPSXNEBVQKJN-UHFFFAOYSA-N 0 0 444.604 5.054 50 0 IKAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000025394348 557207564 /nfs/dbraw/zinc/20/75/64/557207564.db2.gz IQQWBEVXVXQVER-UHFFFAOYSA-N 0 0 438.499 5.855 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1Cl ZINC000011601574 557207635 /nfs/dbraw/zinc/20/76/35/557207635.db2.gz YOFBNOKEHMSGGF-UHFFFAOYSA-N 0 0 427.913 5.318 50 0 IKAARN C[C@@H]1CCC[C@H](Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@@H]1C ZINC000025397561 557208065 /nfs/dbraw/zinc/20/80/65/557208065.db2.gz IYHXKSRTJBSOST-OPYAIIAOSA-N 0 0 436.625 5.427 50 0 IKAARN CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1cc(C)on1)C3=O ZINC000011614380 557208537 /nfs/dbraw/zinc/20/85/37/557208537.db2.gz GCACRAZBSNGVLE-HSZRJFAPSA-N 0 0 442.515 5.699 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000011612329 557208689 /nfs/dbraw/zinc/20/86/89/557208689.db2.gz WFMOGQHPUBZYPQ-SHQCIBLASA-N 0 0 428.532 6.070 50 0 IKAARN Cn1c(=O)cc2c3c1ccc(Sc1nc4ccccc4s1)c3C(=O)c1ccccc1-2 ZINC000011612151 557208729 /nfs/dbraw/zinc/20/87/29/557208729.db2.gz OHGNRDUBTJLJRF-UHFFFAOYSA-N 0 0 426.522 5.511 50 0 IKAARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000100971932 557208829 /nfs/dbraw/zinc/20/88/29/557208829.db2.gz IAEIIBHELACHGY-PIKZIKFNSA-N 0 0 438.527 6.265 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000100967671 557208865 /nfs/dbraw/zinc/20/88/65/557208865.db2.gz FOGUVKOKUQBLPP-DCFHFQCYSA-N 0 0 426.491 6.396 50 0 IKAARN COC(=O)[C@H]1Cc2ccccc2CN1Cn1c2ccccc2n(-c2cccc(C)c2)c1=S ZINC000025426991 557209276 /nfs/dbraw/zinc/20/92/76/557209276.db2.gz IQGMYNLSGUKWTK-XMMPIXPASA-N 0 0 443.572 5.027 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)C1CCCCC1)CC2 ZINC000023309275 557210292 /nfs/dbraw/zinc/21/02/92/557210292.db2.gz YANYXWMEALKPHB-HSZRJFAPSA-N 0 0 431.935 5.551 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000011614342 557210678 /nfs/dbraw/zinc/21/06/78/557210678.db2.gz ILWVPPPPMJIFCC-LJQANCHMSA-N 0 0 441.270 5.454 50 0 IKAARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000011614359 557210791 /nfs/dbraw/zinc/21/07/91/557210791.db2.gz PSUZDJJUKJINBF-OAQYLSRUSA-N 0 0 432.451 5.276 50 0 IKAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)o1 ZINC000011614334 557210815 /nfs/dbraw/zinc/21/08/15/557210815.db2.gz SECYWCJGQCAMEA-LJQANCHMSA-N 0 0 448.887 5.707 50 0 IKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccccc1C(F)(F)F ZINC000023310021 557211926 /nfs/dbraw/zinc/21/19/26/557211926.db2.gz PVWQUBLAPSSDRT-CYBMUJFWSA-N 0 0 441.515 6.736 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(OC(F)(F)F)cc2)n1Cc1cccnc1 ZINC000025480398 557212164 /nfs/dbraw/zinc/21/21/64/557212164.db2.gz JSMYHVKQXNEIKF-UHFFFAOYSA-N 0 0 443.450 5.031 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cc(Cl)cc(Cl)c1 ZINC000011617277 557212909 /nfs/dbraw/zinc/21/29/09/557212909.db2.gz YWWMHEMLGRTYSY-UHFFFAOYSA-N 0 0 434.167 6.193 50 0 IKAARN CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000011617334 557212919 /nfs/dbraw/zinc/21/29/19/557212919.db2.gz WZUJMZILPXHGMJ-UHFFFAOYSA-N 0 0 434.586 6.555 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000011617273 557212959 /nfs/dbraw/zinc/21/29/59/557212959.db2.gz ZGVYGGODTMFSIS-UHFFFAOYSA-N 0 0 445.363 6.048 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000011617338 557213026 /nfs/dbraw/zinc/21/30/26/557213026.db2.gz NXUMYGSWXFPINR-UHFFFAOYSA-N 0 0 432.548 7.396 50 0 IKAARN CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558653 557213976 /nfs/dbraw/zinc/21/39/76/557213976.db2.gz ICVHYTCZBQRDJR-ZWKOTPCHSA-N 0 0 440.168 6.426 50 0 IKAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4nc(C5CC5)cs4)cc3)ccc12 ZINC000025558065 557214083 /nfs/dbraw/zinc/21/40/83/557214083.db2.gz BPZXLPABZMRXKW-UHFFFAOYSA-N 0 0 432.501 5.267 50 0 IKAARN CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558649 557214174 /nfs/dbraw/zinc/21/41/74/557214174.db2.gz ICVHYTCZBQRDJR-ROUUACIJSA-N 0 0 440.168 6.426 50 0 IKAARN CCc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000101036239 557214471 /nfs/dbraw/zinc/21/44/71/557214471.db2.gz YZORGGDPVBBSOO-SMIHKQSGSA-N 0 0 446.934 5.262 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000023313484 557214484 /nfs/dbraw/zinc/21/44/84/557214484.db2.gz XQTUYLUQMKVFOE-JXMROGBWSA-N 0 0 428.319 5.463 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573030 557215260 /nfs/dbraw/zinc/21/52/60/557215260.db2.gz FBDDEIZUBZCXNE-WIYYLYMNSA-N 0 0 425.282 5.293 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573023 557215282 /nfs/dbraw/zinc/21/52/82/557215282.db2.gz FBDDEIZUBZCXNE-NQIIRXRSSA-N 0 0 425.282 5.293 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573011 557215300 /nfs/dbraw/zinc/21/53/00/557215300.db2.gz FBDDEIZUBZCXNE-RXVVDRJESA-N 0 0 425.282 5.293 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573017 557215336 /nfs/dbraw/zinc/21/53/36/557215336.db2.gz FBDDEIZUBZCXNE-GHTZIAJQSA-N 0 0 425.282 5.293 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2OC32CCCCC2)cc1OC ZINC000025579184 557215918 /nfs/dbraw/zinc/21/59/18/557215918.db2.gz RDUMNBJQPUAOQE-IBGZPJMESA-N 0 0 447.362 6.215 50 0 IKAARN O=P(Nc1ccccc1Cl)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000025579637 557215940 /nfs/dbraw/zinc/21/59/40/557215940.db2.gz BOLRXYBQIUIGAY-UHFFFAOYSA-N 0 0 428.639 7.325 50 0 IKAARN COc1ccc(C(=O)CSc2nc(-c3ccccc3)cnc2-c2ccccc2Cl)cc1 ZINC000025579860 557216010 /nfs/dbraw/zinc/21/60/10/557216010.db2.gz DQGPTVCDJKGQCB-UHFFFAOYSA-N 0 0 446.959 6.448 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2OC32CCCC2)cc1OC ZINC000025579178 557216057 /nfs/dbraw/zinc/21/60/57/557216057.db2.gz JTBZHJKIEFOEER-GOSISDBHSA-N 0 0 433.335 5.824 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000025581509 557216416 /nfs/dbraw/zinc/21/64/16/557216416.db2.gz SPGXZPLSFHAKBE-URXFXBBRSA-N 0 0 448.906 5.378 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000025582213 557216650 /nfs/dbraw/zinc/21/66/50/557216650.db2.gz RPTPQDRMGKSWJG-JYFHCDHNSA-N 0 0 430.504 5.345 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)c1 ZINC000025581900 557216671 /nfs/dbraw/zinc/21/66/71/557216671.db2.gz PPLVAAGGVYEHRE-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582286 557216736 /nfs/dbraw/zinc/21/67/36/557216736.db2.gz IOCFQSZAKAGXAA-URXFXBBRSA-N 0 0 439.342 6.634 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)c1 ZINC000025581893 557216739 /nfs/dbraw/zinc/21/67/39/557216739.db2.gz PPLVAAGGVYEHRE-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1Br ZINC000025582674 557216904 /nfs/dbraw/zinc/21/69/04/557216904.db2.gz DRNNPHFLRGTFHV-QPPBQGQZSA-N 0 0 449.348 6.008 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000025582868 557216916 /nfs/dbraw/zinc/21/69/16/557216916.db2.gz GYYYAKLPCFPAHB-RBBKRZOGSA-N 0 0 441.275 5.970 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1OC ZINC000025582570 557216925 /nfs/dbraw/zinc/21/69/25/557216925.db2.gz PXEZZSDQPQEYKI-HYBUGGRVSA-N 0 0 438.886 5.739 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1OC ZINC000025583051 557216948 /nfs/dbraw/zinc/21/69/48/557216948.db2.gz XTMUTWCHFWTFPY-IBVKSMDESA-N 0 0 444.487 5.065 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1OC ZINC000025582552 557216971 /nfs/dbraw/zinc/21/69/71/557216971.db2.gz PXEZZSDQPQEYKI-RDPSFJRHSA-N 0 0 438.886 5.739 50 0 IKAARN COc1cc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000025583161 557216984 /nfs/dbraw/zinc/21/69/84/557216984.db2.gz HJWQVJMHMFWSQI-NBGIEHNGSA-N 0 0 434.467 5.094 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c(Cl)c1 ZINC000025583676 557217281 /nfs/dbraw/zinc/21/72/81/557217281.db2.gz HRVYJLLIFZNVGP-RBBKRZOGSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025583348 557217293 /nfs/dbraw/zinc/21/72/93/557217293.db2.gz FQEXLYZAJNXJBL-REWPJTCUSA-N 0 0 435.321 5.700 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)n2cnc(-c3ccccc3)cc12 ZINC000025584429 557217314 /nfs/dbraw/zinc/21/73/14/557217314.db2.gz OPZDOFOTKMQDTL-UHFFFAOYSA-N 0 0 438.405 5.428 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000025583582 557217346 /nfs/dbraw/zinc/21/73/46/557217346.db2.gz YJHUQNHKBJRDNA-RBBKRZOGSA-N 0 0 447.724 7.028 50 0 IKAARN COc1cc(NC(=O)c2ccc(COc3cccc4ccccc43)o2)cc(OC)c1OC ZINC000000800740 557217435 /nfs/dbraw/zinc/21/74/35/557217435.db2.gz XVLBXFQXKZZQQW-UHFFFAOYSA-N 0 0 433.460 5.290 50 0 IKAARN Cc1cc(OCCCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)ccc1Cl ZINC000024912754 557217681 /nfs/dbraw/zinc/21/76/81/557217681.db2.gz YJGJZYSZNDKFAU-UHFFFAOYSA-N 0 0 429.929 5.155 50 0 IKAARN COc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)o2)cc1 ZINC000025617205 557219539 /nfs/dbraw/zinc/21/95/39/557219539.db2.gz VPEHYDDKISMZJJ-JOCHJYFZSA-N 0 0 435.520 5.269 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000247802077 557219764 /nfs/dbraw/zinc/21/97/64/557219764.db2.gz GLLIFOOPPYVDSS-RZAIGCCYSA-N 0 0 436.861 5.169 50 0 IKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000025693621 557222278 /nfs/dbraw/zinc/22/22/78/557222278.db2.gz BJIMETZEKZUZDD-UHFFFAOYSA-N 0 0 436.509 7.113 50 0 IKAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025720165 557223240 /nfs/dbraw/zinc/22/32/40/557223240.db2.gz UZENCCRQFBXRMX-UHFFFAOYSA-N 0 0 438.664 5.023 50 0 IKAARN Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 ZINC000025716601 557223260 /nfs/dbraw/zinc/22/32/60/557223260.db2.gz OFOXZMJZNRJIPO-QGZVFWFLSA-N 0 0 447.482 5.358 50 0 IKAARN COc1ccccc1OCC(=O)OCc1nc(O[C@@H](C)c2ccccc2)ccc1Cl ZINC000072300968 557223538 /nfs/dbraw/zinc/22/35/38/557223538.db2.gz ZDLSWCVIGOMSRT-INIZCTEOSA-N 0 0 427.884 5.006 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025746862 557223848 /nfs/dbraw/zinc/22/38/48/557223848.db2.gz OCEYUKVDJPVUDH-UHFFFAOYSA-N 0 0 439.481 5.546 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2ccc(C)s2)cs1)c1cccc(C(F)(F)F)c1 ZINC000010647513 557223957 /nfs/dbraw/zinc/22/39/57/557223957.db2.gz OSWXHCCTBQDQCR-UHFFFAOYSA-N 0 0 440.468 5.573 50 0 IKAARN CC(C)CCC[C@H](C)NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025748451 557224175 /nfs/dbraw/zinc/22/41/75/557224175.db2.gz PYDHVUMPFVBVEX-NRFANRHFSA-N 0 0 429.608 5.738 50 0 IKAARN Cc1ccc(C)c(Sc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)c1 ZINC000025747304 557224273 /nfs/dbraw/zinc/22/42/73/557224273.db2.gz JFTDUQANGREYNG-UHFFFAOYSA-N 0 0 447.629 5.959 50 0 IKAARN CC(C)CCC[C@H](C)CCOc1cc(C=O)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000025758114 557224426 /nfs/dbraw/zinc/22/44/26/557224426.db2.gz JMACLBZCZVVLDQ-ZEQRLZLVSA-N 0 0 446.672 7.774 50 0 IKAARN Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)c1 ZINC000010013029 557224669 /nfs/dbraw/zinc/22/46/69/557224669.db2.gz OUFAWVRUCMZUAY-UHFFFAOYSA-N 0 0 427.451 6.125 50 0 IKAARN Cc1cc2c(cc1C)N(Cc1ccc(Br)cc1)C(=O)CC(c1cccs1)=N2 ZINC000101074273 557225265 /nfs/dbraw/zinc/22/52/65/557225265.db2.gz AUKXHCCDRCWSST-UHFFFAOYSA-N 0 0 439.378 6.185 50 0 IKAARN COc1cccc(-c2nc(C(=O)N[C@H](c3cccs3)c3ccccc3)cs2)c1OC ZINC000025775717 557225454 /nfs/dbraw/zinc/22/54/54/557225454.db2.gz XFTWIHOLXGIXGR-FQEVSTJZSA-N 0 0 436.558 5.408 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)c1 ZINC000025782315 557225720 /nfs/dbraw/zinc/22/57/20/557225720.db2.gz SUCUEGGCGSMLNP-FYYLOGMGSA-N 0 0 435.321 5.700 50 0 IKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782874 557225859 /nfs/dbraw/zinc/22/58/59/557225859.db2.gz WWUJVYCIVPUKRG-UGKGYDQZSA-N 0 0 447.724 7.028 50 0 IKAARN Clc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783838 557226402 /nfs/dbraw/zinc/22/64/02/557226402.db2.gz ODGAOMDKZCQZCD-GOTSBHOMSA-N 0 0 447.325 5.798 50 0 IKAARN Cc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@H](c3ccccc3F)C21 ZINC000025783911 557226525 /nfs/dbraw/zinc/22/65/25/557226525.db2.gz WNISQGAYTJXXDB-RPWUZVMVSA-N 0 0 444.897 5.592 50 0 IKAARN O=C(c1cc2ccccc2s1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920288 557228313 /nfs/dbraw/zinc/22/83/13/557228313.db2.gz MWBZUXNEVCFJEC-UHFFFAOYSA-N 0 0 437.565 5.122 50 0 IKAARN C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000011443866 557229033 /nfs/dbraw/zinc/22/90/33/557229033.db2.gz VNFCRFNUNUFMLH-QMMMGPOBSA-N 0 0 430.259 5.670 50 0 IKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCc2ccc(C(F)(F)F)cc2)nn1 ZINC000011613073 557230387 /nfs/dbraw/zinc/23/03/87/557230387.db2.gz PCBALVYSZBULNB-UHFFFAOYSA-N 0 0 444.507 6.282 50 0 IKAARN CN(CCO)CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000011692718 557232144 /nfs/dbraw/zinc/23/21/44/557232144.db2.gz KHIILCXFNVMUAX-UHFFFAOYSA-N 0 0 445.950 5.085 50 0 IKAARN COc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)cn2n1 ZINC000011693496 557232477 /nfs/dbraw/zinc/23/24/77/557232477.db2.gz JWQZTPITXQYCHQ-UHFFFAOYSA-N 0 0 434.499 5.176 50 0 IKAARN CSc1ncc(Cl)c(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)n1 ZINC000026040152 557232621 /nfs/dbraw/zinc/23/26/21/557232621.db2.gz XTYUZMVTZSTVOG-UHFFFAOYSA-N 0 0 425.366 5.113 50 0 IKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000024395256 557233129 /nfs/dbraw/zinc/23/31/29/557233129.db2.gz CIWWMMVPPYSRHE-UHFFFAOYSA-N 0 0 438.556 5.480 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073337 557233731 /nfs/dbraw/zinc/23/37/31/557233731.db2.gz UITCCBVTOLKNGW-CQSZACIVSA-N 0 0 442.740 6.076 50 0 IKAARN CCCCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)cc1 ZINC000098211437 557234849 /nfs/dbraw/zinc/23/48/49/557234849.db2.gz CYNWOOBVTCSPJW-UHFFFAOYSA-N 0 0 448.498 5.334 50 0 IKAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3C(C)C)n2)cc1F ZINC000098211439 557234917 /nfs/dbraw/zinc/23/49/17/557234917.db2.gz WHMSUQXGETXHEG-UHFFFAOYSA-N 0 0 434.471 5.115 50 0 IKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1nc(-c2cccs2)no1 ZINC000026111798 557234984 /nfs/dbraw/zinc/23/49/84/557234984.db2.gz YJXQBALFDVVFNT-LBPRGKRZSA-N 0 0 434.550 5.726 50 0 IKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(CN2CCOCC2)cc1 ZINC000018081491 557235627 /nfs/dbraw/zinc/23/56/27/557235627.db2.gz IVXHIXPQIIJOFM-UHFFFAOYSA-N 0 0 429.545 5.048 50 0 IKAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC1(CCCCC1)C2 ZINC000018081017 557235690 /nfs/dbraw/zinc/23/56/90/557235690.db2.gz ZEVHNUOPKWIVSU-UHFFFAOYSA-N 0 0 442.650 5.851 50 0 IKAARN O=C(c1cccs1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000026131683 557236026 /nfs/dbraw/zinc/23/60/26/557236026.db2.gz XYEKNSBJTLSHHL-HNNXBMFYSA-N 0 0 438.496 5.716 50 0 IKAARN O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000026131688 557236082 /nfs/dbraw/zinc/23/60/82/557236082.db2.gz XYEKNSBJTLSHHL-OAHLLOKOSA-N 0 0 438.496 5.716 50 0 IKAARN O=C(Cc1noc2ccccc12)Nc1nc(COc2ccc(Cl)cc2Cl)cs1 ZINC000026132418 557236187 /nfs/dbraw/zinc/23/61/87/557236187.db2.gz NOEMETWJBQKLOX-UHFFFAOYSA-N 0 0 434.304 5.351 50 0 IKAARN C[C@H](c1nn(CN2CCC[C@@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C ZINC000026240784 557237806 /nfs/dbraw/zinc/23/78/06/557237806.db2.gz JIXVFDDGRDNDAW-IIBYNOLFSA-N 0 0 443.567 5.099 50 0 IKAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005677885 557237831 /nfs/dbraw/zinc/23/78/31/557237831.db2.gz DXBKEMYRJGGZIQ-UHFFFAOYSA-N 0 0 428.580 5.792 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccccc1Cl)(N(C)C)C(C)(C)C ZINC000005677850 557237891 /nfs/dbraw/zinc/23/78/91/557237891.db2.gz DYMHEAIAVZXHFX-GDLZYMKVSA-N 0 0 428.948 6.576 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cccc2ccccc21 ZINC000011003828 557238425 /nfs/dbraw/zinc/23/84/25/557238425.db2.gz MJFIEKUHQLFRJZ-UHFFFAOYSA-N 0 0 426.314 5.013 50 0 IKAARN O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000069951007 557238661 /nfs/dbraw/zinc/23/86/61/557238661.db2.gz OXGDRGCZJZXIID-UHFFFAOYSA-N 0 0 425.410 5.154 50 0 IKAARN Cc1ccc(-c2nnc([C@H](C)Sc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 ZINC000026433290 557240964 /nfs/dbraw/zinc/24/09/64/557240964.db2.gz GBVAFPLGIPAILV-ZDUSSCGKSA-N 0 0 428.901 5.514 50 0 IKAARN COCCCn1c(=O)c2c(nc1SCc1ccc(C)cc1)c(-c1ccccc1)cn2C ZINC000032951150 557241000 /nfs/dbraw/zinc/24/10/00/557241000.db2.gz KYDUJFCXJFSCFL-UHFFFAOYSA-N 0 0 433.577 5.039 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1ccc(F)cc1 ZINC000100141907 557242583 /nfs/dbraw/zinc/24/25/83/557242583.db2.gz PFZLSJHVJFSPLG-DEOSSOPVSA-N 0 0 446.547 6.994 50 0 IKAARN COc1cccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)c1 ZINC000032951335 557242569 /nfs/dbraw/zinc/24/25/69/557242569.db2.gz OJXRLAQTBCGPIO-UHFFFAOYSA-N 0 0 432.549 5.693 50 0 IKAARN CC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000018131380 557242610 /nfs/dbraw/zinc/24/26/10/557242610.db2.gz KBWAVFVIZJEUBO-AREMUKBSSA-N 0 0 428.576 5.596 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000026531289 557243231 /nfs/dbraw/zinc/24/32/31/557243231.db2.gz PGFXVHXFSPUSLB-UHFFFAOYSA-N 0 0 437.433 5.361 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)Nc4cc(C)ccc4C)C3)nn2)cc1 ZINC000032951515 557245546 /nfs/dbraw/zinc/24/55/46/557245546.db2.gz QEGXCFJPRHIORC-FQEVSTJZSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccc(C)cc1)(N1CCCC1)C(C)(C)C ZINC000005682960 557245584 /nfs/dbraw/zinc/24/55/84/557245584.db2.gz XLHFKNQBXCXEGZ-WJOKGBTCSA-N 0 0 434.568 6.765 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2NC(=O)c1ccc(Br)cc1 ZINC000026687845 557246789 /nfs/dbraw/zinc/24/67/89/557246789.db2.gz UPWVBVXCVJEOFG-UHFFFAOYSA-N 0 0 440.728 5.978 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)Cc3nc4ccccc4s3)c2n1 ZINC000018193471 557247059 /nfs/dbraw/zinc/24/70/59/557247059.db2.gz TXYGPMFIJPKKCR-UHFFFAOYSA-N 0 0 446.359 5.497 50 0 IKAARN COc1ccc(-c2nc(-c3cc(Br)ccc3OC)[nH]c2-c2ccccc2)cc1 ZINC000018195257 557247589 /nfs/dbraw/zinc/24/75/89/557247589.db2.gz GWWLSTVCDKUGCD-UHFFFAOYSA-N 0 0 435.321 6.190 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000026766726 557247866 /nfs/dbraw/zinc/24/78/66/557247866.db2.gz KAXKUTIHRWIQMN-UHFFFAOYSA-N 0 0 429.442 5.244 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl ZINC000026780011 557248542 /nfs/dbraw/zinc/24/85/42/557248542.db2.gz RVJCRKABPNCTDK-UHFFFAOYSA-N 0 0 436.320 5.438 50 0 IKAARN Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)CC1 ZINC000026795384 557249133 /nfs/dbraw/zinc/24/91/33/557249133.db2.gz NEWVICPNHKNCGD-RUZDIDTESA-N 0 0 434.624 5.658 50 0 IKAARN COc1cc2cc(C(=O)Nc3cccc(Cl)c3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000027016694 557253830 /nfs/dbraw/zinc/25/38/30/557253830.db2.gz NOCDNVIFGVFFRI-UHFFFAOYSA-N 0 0 431.919 6.738 50 0 IKAARN Cc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1Cl ZINC000101095616 557254371 /nfs/dbraw/zinc/25/43/71/557254371.db2.gz MIIAXLJJTUUZLI-UHFFFAOYSA-N 0 0 425.916 6.143 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101110769 557256012 /nfs/dbraw/zinc/25/60/12/557256012.db2.gz BPCKCISMEYBLFD-VXNXHJTFSA-N 0 0 426.516 5.035 50 0 IKAARN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101161583 557257343 /nfs/dbraw/zinc/25/73/43/557257343.db2.gz UMZFKDLJITZBCJ-NXCFDTQHSA-N 0 0 434.495 5.199 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000027136759 557257554 /nfs/dbraw/zinc/25/75/54/557257554.db2.gz PNUHRWLZGDIPGI-UHFFFAOYSA-N 0 0 425.315 7.177 50 0 IKAARN CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)c(OC)c1)c1c(ccc3ccccc31)O2 ZINC000101169522 557259143 /nfs/dbraw/zinc/25/91/43/557259143.db2.gz FGDHBYCPKLGWOR-QHCPKHFHSA-N 0 0 441.531 5.619 50 0 IKAARN CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)c(OC)c1)c1c(ccc3ccccc31)O2 ZINC000101169516 557259196 /nfs/dbraw/zinc/25/91/96/557259196.db2.gz FGDHBYCPKLGWOR-HSZRJFAPSA-N 0 0 441.531 5.619 50 0 IKAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 ZINC000101175740 557260643 /nfs/dbraw/zinc/26/06/43/557260643.db2.gz UZTNRHVAANRKFQ-RUZDIDTESA-N 0 0 445.522 5.859 50 0 IKAARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000100426880 557260699 /nfs/dbraw/zinc/26/06/99/557260699.db2.gz GEBFSSNLCIRKTA-WXTAPIANSA-N 0 0 430.935 6.978 50 0 IKAARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100425614 557260704 /nfs/dbraw/zinc/26/07/04/557260704.db2.gz FQZCNALJCICLHL-WINIVTDRSA-N 0 0 426.516 6.333 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000100430325 557261041 /nfs/dbraw/zinc/26/10/41/557261041.db2.gz HULNVWOAKBKFRP-UHFFFAOYSA-N 0 0 442.327 5.234 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1 ZINC000100429421 557261126 /nfs/dbraw/zinc/26/11/26/557261126.db2.gz UWZCCBFSICZUSI-DWXRJYCRSA-N 0 0 428.488 5.858 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1 ZINC000100429418 557261169 /nfs/dbraw/zinc/26/11/69/557261169.db2.gz UWZCCBFSICZUSI-QYBDOPJKSA-N 0 0 428.488 5.858 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100429368 557261181 /nfs/dbraw/zinc/26/11/81/557261181.db2.gz YQRBNQVNMVZFGP-UZTOHYMASA-N 0 0 426.516 6.333 50 0 IKAARN CCN(CC)c1cc(C)c2cc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc2n1 ZINC000032953963 557261783 /nfs/dbraw/zinc/26/17/83/557261783.db2.gz FNAJRBWSSSLSBZ-UHFFFAOYSA-N 0 0 438.528 5.059 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)cc(-c2nc3ccccc3s2)c1O ZINC000012843204 557262364 /nfs/dbraw/zinc/26/23/64/557262364.db2.gz WDHYTWAZTMNVQB-UHFFFAOYSA-N 0 0 437.521 5.243 50 0 IKAARN COCCCN(Cc1cccs1)C(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000032954062 557262757 /nfs/dbraw/zinc/26/27/57/557262757.db2.gz JGZPRMKSPQKOOY-UHFFFAOYSA-N 0 0 433.533 5.144 50 0 IKAARN COc1cc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2ccccc2)cc(OC)c1OC ZINC000101192205 557262937 /nfs/dbraw/zinc/26/29/37/557262937.db2.gz PJGUMPKEPDFITH-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000101191920 557263051 /nfs/dbraw/zinc/26/30/51/557263051.db2.gz HXFMAPRWVFBYGN-NTZNESFSSA-N 0 0 432.899 5.273 50 0 IKAARN CCCCc1ccc(-c2nc3ccccc3c(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000027533581 557264446 /nfs/dbraw/zinc/26/44/46/557264446.db2.gz GWIWFEZFQFZMEB-UHFFFAOYSA-N 0 0 437.465 7.282 50 0 IKAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000027544895 557264699 /nfs/dbraw/zinc/26/46/99/557264699.db2.gz KZCXDZXHMUHNFM-UHFFFAOYSA-N 0 0 434.499 5.183 50 0 IKAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn32)cc1 ZINC000027585657 557266839 /nfs/dbraw/zinc/26/68/39/557266839.db2.gz JCRYMCBTXFANMF-UHFFFAOYSA-N 0 0 425.414 5.426 50 0 IKAARN Cc1nn2c(nc(C)cc2Nc2ccc(Br)cc2)c1-c1ccccc1Cl ZINC000027585457 557266911 /nfs/dbraw/zinc/26/69/11/557266911.db2.gz WUCRDTSVFLIZDQ-UHFFFAOYSA-N 0 0 427.733 6.173 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000820440 557267450 /nfs/dbraw/zinc/26/74/50/557267450.db2.gz AOOSYAUEMFYWIL-UHFFFAOYSA-N 0 0 448.482 5.102 50 0 IKAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(Cl)cc3)c2NC(=O)c2ccccc2)cc1 ZINC000101265027 557268665 /nfs/dbraw/zinc/26/86/65/557268665.db2.gz UXCYMCODVBVDEB-UHFFFAOYSA-N 0 0 445.906 5.122 50 0 IKAARN CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000000823203 557268716 /nfs/dbraw/zinc/26/87/16/557268716.db2.gz TWBJPYZUBKVQNU-PKOBYXMFSA-N 0 0 439.364 5.595 50 0 IKAARN COc1ccc(C(F)(F)F)cc1NC=Cc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000100661705 557268726 /nfs/dbraw/zinc/26/87/26/557268726.db2.gz MBOYXBPNMMLRQZ-SREVYHEPSA-N 0 0 430.217 5.079 50 0 IKAARN CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000000823205 557268809 /nfs/dbraw/zinc/26/88/09/557268809.db2.gz TWBJPYZUBKVQNU-HKUYNNGSSA-N 0 0 439.364 5.595 50 0 IKAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 ZINC000027662269 557268920 /nfs/dbraw/zinc/26/89/20/557268920.db2.gz QYMSLCBOTZWXEX-UHFFFAOYSA-N 0 0 426.270 5.423 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CN=c3[nH]c4ccccc4s3)C2=O)cc1C ZINC000101271732 557268971 /nfs/dbraw/zinc/26/89/71/557268971.db2.gz CBDVZXRZCVCRAT-XSFVSMFZSA-N 0 0 425.513 5.553 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@]32CCCC(=O)C2)cc1 ZINC000100670832 557269090 /nfs/dbraw/zinc/26/90/90/557269090.db2.gz KUPWZHCHUWAHLW-IRLDBZIGSA-N 0 0 425.326 5.623 50 0 IKAARN CCOc1cc(/C=C/C(=O)Nc2ccccc2C(C)C)ccc1OCCOc1ccccc1 ZINC000013042074 557269524 /nfs/dbraw/zinc/26/95/24/557269524.db2.gz SBHVZCLEZVNKNT-BMRADRMJSA-N 0 0 445.559 6.318 50 0 IKAARN COc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)c2ccccn2)cc1OC ZINC000027663609 557269696 /nfs/dbraw/zinc/26/96/96/557269696.db2.gz TVBJQAPXXNIXDN-UHFFFAOYSA-N 0 0 436.895 5.654 50 0 IKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(Cl)c3Cl)n2)c1 ZINC000027663846 557269910 /nfs/dbraw/zinc/26/99/10/557269910.db2.gz VQYHCFRKMYLCNG-UHFFFAOYSA-N 0 0 438.767 6.290 50 0 IKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cc(Cl)ccc3Cl)n2)c1 ZINC000027663840 557269931 /nfs/dbraw/zinc/26/99/31/557269931.db2.gz NAZSJBNJKZTAPJ-UHFFFAOYSA-N 0 0 438.767 6.290 50 0 IKAARN CCOc1ccccc1NC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000027664162 557270293 /nfs/dbraw/zinc/27/02/93/557270293.db2.gz NWZQMVIBOQSRGC-UHFFFAOYSA-N 0 0 434.348 5.727 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000100703447 557270407 /nfs/dbraw/zinc/27/04/07/557270407.db2.gz OJFLUQGUAZPQCU-QPPBQGQZSA-N 0 0 437.326 6.054 50 0 IKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000100702309 557270555 /nfs/dbraw/zinc/27/05/55/557270555.db2.gz OMKBOWOWNSAJIP-REWPJTCUSA-N 0 0 433.305 5.202 50 0 IKAARN O=C(CCC(=O)[C@H](C(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000100721456 557271168 /nfs/dbraw/zinc/27/11/68/557271168.db2.gz MVPAKGDNDXQWHM-HSZRJFAPSA-N 0 0 439.433 5.660 50 0 IKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000000828082 557271589 /nfs/dbraw/zinc/27/15/89/557271589.db2.gz ZRLNYRPPITWOSQ-UHFFFAOYSA-N 0 0 427.291 5.378 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 ZINC000027695214 557271619 /nfs/dbraw/zinc/27/16/19/557271619.db2.gz FDWAUZMPHGXWLI-OAQYLSRUSA-N 0 0 425.576 6.050 50 0 IKAARN CCOc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000032955138 557271691 /nfs/dbraw/zinc/27/16/91/557271691.db2.gz YZLPMENDSDPPQF-UHFFFAOYSA-N 0 0 443.391 6.762 50 0 IKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1)c1cccs1 ZINC000027742116 557271910 /nfs/dbraw/zinc/27/19/10/557271910.db2.gz BIXPHAMUJVJKNN-KRWDZBQOSA-N 0 0 425.351 5.554 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746189 557272807 /nfs/dbraw/zinc/27/28/07/557272807.db2.gz BEERUPJYOJOEBJ-JOCHJYFZSA-N 0 0 434.923 5.157 50 0 IKAARN COc1ccc([C@H](CNC(=O)c2ccc(OC)c(Cl)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746144 557272937 /nfs/dbraw/zinc/27/29/37/557272937.db2.gz UOUDBTVFMAZIHJ-FQEVSTJZSA-N 0 0 434.923 5.400 50 0 IKAARN CCc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027746152 557272943 /nfs/dbraw/zinc/27/29/43/557272943.db2.gz UCYBTDCBORVKLB-DEOSSOPVSA-N 0 0 428.532 5.066 50 0 IKAARN Cc1cccc(C)c1Nc1c(-c2ccc(N(C)C)cc2)nc2scc(-c3ccccn3)n21 ZINC000101316996 557272888 /nfs/dbraw/zinc/27/28/88/557272888.db2.gz BESIKQUBZWBGKH-UHFFFAOYSA-N 0 0 439.588 6.551 50 0 IKAARN O=C(COc1ccccc1)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000027749126 557273148 /nfs/dbraw/zinc/27/31/48/557273148.db2.gz SBSRHCVLDQZYAZ-NRFANRHFSA-N 0 0 449.348 5.258 50 0 IKAARN Cc1ccccc1-n1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccccc1F ZINC000027752909 557273152 /nfs/dbraw/zinc/27/31/52/557273152.db2.gz QEZCIXOYOWNZQN-UHFFFAOYSA-N 0 0 447.539 5.058 50 0 IKAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 ZINC000027789053 557273779 /nfs/dbraw/zinc/27/37/79/557273779.db2.gz MWMCVVCZTIECAQ-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000027792680 557274075 /nfs/dbraw/zinc/27/40/75/557274075.db2.gz GIWVFLOKDARPCX-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027793657 557274464 /nfs/dbraw/zinc/27/44/64/557274464.db2.gz RAMRSDOZUOXTPL-OAQYLSRUSA-N 0 0 428.919 6.438 50 0 IKAARN COc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)c2c[nH]c3ccccc32)cc1 ZINC000027794281 557274738 /nfs/dbraw/zinc/27/47/38/557274738.db2.gz XNVNELFWZPCCTG-HSZRJFAPSA-N 0 0 438.527 6.101 50 0 IKAARN Fc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccc(Br)s2)C1 ZINC000101353697 557275102 /nfs/dbraw/zinc/27/51/02/557275102.db2.gz WDQOFZAOYCMYPW-KRWDZBQOSA-N 0 0 426.314 6.055 50 0 IKAARN O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000101373340 557275579 /nfs/dbraw/zinc/27/55/79/557275579.db2.gz BRHVXVCDVNHEPY-SIBVEZHUSA-N 0 0 440.568 6.708 50 0 IKAARN O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000101373342 557275635 /nfs/dbraw/zinc/27/56/35/557275635.db2.gz BRHVXVCDVNHEPY-AFMDSPMNSA-N 0 0 440.568 6.708 50 0 IKAARN CN(Cc1ccc(Br)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000022994115 557275858 /nfs/dbraw/zinc/27/58/58/557275858.db2.gz LTBWUPIEAMNHDA-UHFFFAOYSA-N 0 0 433.733 5.349 50 0 IKAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3cc(C)cc(C)c3)N2[C@@H]1c1ccccc1 ZINC000101401118 557280231 /nfs/dbraw/zinc/28/02/31/557280231.db2.gz FQEUQYPMHRHCEB-HSZRJFAPSA-N 0 0 447.560 5.080 50 0 IKAARN COc1ccc2sc(S[C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)nc2c1 ZINC000100978397 557280506 /nfs/dbraw/zinc/28/05/06/557280506.db2.gz MTKCYOFQOYXWFY-OAHLLOKOSA-N 0 0 439.345 5.036 50 0 IKAARN Clc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000101379348 557281469 /nfs/dbraw/zinc/28/14/69/557281469.db2.gz SUNCBHDPZNIPLH-AZPGRJICSA-N 0 0 436.024 6.827 50 0 IKAARN COc1cccc(/N=c2/scc(-c3ccccc3)n2CCc2c[nH]c3ccccc23)c1 ZINC000101379474 557281583 /nfs/dbraw/zinc/28/15/83/557281583.db2.gz GWCOHNUCKNSRCB-BYCLXTJYSA-N 0 0 425.557 6.182 50 0 IKAARN Clc1ccccc1/N=c1/scc(-c2ccccc2)n1CCc1c[nH]c2ccccc12 ZINC000101379484 557281645 /nfs/dbraw/zinc/28/16/45/557281645.db2.gz CCMCHDSNTHJOQE-AZPGRJICSA-N 0 0 429.976 6.826 50 0 IKAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3ccc(C)c(C)c3)N2[C@H]1c1ccccc1 ZINC000101398819 557283485 /nfs/dbraw/zinc/28/34/85/557283485.db2.gz ZSZGTPNXCNIBLN-QHCPKHFHSA-N 0 0 447.560 5.080 50 0 IKAARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1OC ZINC000101429175 557283575 /nfs/dbraw/zinc/28/35/75/557283575.db2.gz CNKQJKURHKNBEP-VWLOTQADSA-N 0 0 431.513 5.963 50 0 IKAARN CCCc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000101423505 557283608 /nfs/dbraw/zinc/28/36/08/557283608.db2.gz KSQBLAHTIJGIPI-GDLZYMKVSA-N 0 0 433.576 8.043 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cc4ccccc4)cc3)C12 ZINC000101423894 557283622 /nfs/dbraw/zinc/28/36/22/557283622.db2.gz SBHCTODSRUJSQR-GDLZYMKVSA-N 0 0 431.560 7.528 50 0 IKAARN CCCc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000101423508 557283654 /nfs/dbraw/zinc/28/36/54/557283654.db2.gz KSQBLAHTIJGIPI-LJAQVGFWSA-N 0 0 433.576 8.043 50 0 IKAARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1OC ZINC000101429173 557283676 /nfs/dbraw/zinc/28/36/76/557283676.db2.gz CNKQJKURHKNBEP-RUZDIDTESA-N 0 0 431.513 5.963 50 0 IKAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1cccc2ccccc21 ZINC000011665534 557284149 /nfs/dbraw/zinc/28/41/49/557284149.db2.gz AVDPLUKWGQWROL-UHFFFAOYSA-N 0 0 442.482 5.259 50 0 IKAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1ccc2ccccc2c1 ZINC000011665555 557284166 /nfs/dbraw/zinc/28/41/66/557284166.db2.gz LOOSCEINXMTNMD-UHFFFAOYSA-N 0 0 442.482 5.259 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 ZINC000014023061 557284713 /nfs/dbraw/zinc/28/47/13/557284713.db2.gz RUBLEZYPZDLHFL-UHFFFAOYSA-N 0 0 440.619 5.690 50 0 IKAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F ZINC000101192755 557284735 /nfs/dbraw/zinc/28/47/35/557284735.db2.gz SDYDJBWUOMWXJC-TVYUQYBPSA-N 0 0 435.277 5.379 50 0 IKAARN Fc1ccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCCO4)cc1 ZINC000101489146 557287996 /nfs/dbraw/zinc/28/79/96/557287996.db2.gz RSAJYZKQKRAAPJ-UHFFFAOYSA-N 0 0 445.881 5.815 50 0 IKAARN CCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000023323421 557288670 /nfs/dbraw/zinc/28/86/70/557288670.db2.gz CWAWPBZZTIFYNN-UHFFFAOYSA-N 0 0 430.548 6.323 50 0 IKAARN COc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3Cl)C2)cc1OC ZINC000101513514 557289456 /nfs/dbraw/zinc/28/94/56/557289456.db2.gz KHSQMTCNFIXUTR-HNNXBMFYSA-N 0 0 436.821 5.024 50 0 IKAARN COc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3Cl)C2)cc1OC ZINC000101513511 557289578 /nfs/dbraw/zinc/28/95/78/557289578.db2.gz KHSQMTCNFIXUTR-OAHLLOKOSA-N 0 0 436.821 5.024 50 0 IKAARN CC(=O)Nc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101500600 557289965 /nfs/dbraw/zinc/28/99/65/557289965.db2.gz MFWXTHKWYPJOKL-OAQYLSRUSA-N 0 0 442.519 5.386 50 0 IKAARN COc1ccc(C)cc1N1C(=O)[C@H](c2ccccc2)C(c2nc3ccccc3s2)=C1N ZINC000101558525 557291067 /nfs/dbraw/zinc/29/10/67/557291067.db2.gz KTSWWPUFVKTTDE-OAQYLSRUSA-N 0 0 427.529 5.071 50 0 aggregator IKAARN CCCc1cc(=O)oc2cc(OCc3nnc(-c4c(C)onc4-c4ccccc4)o3)ccc12 ZINC000031693041 557291652 /nfs/dbraw/zinc/29/16/52/557291652.db2.gz NRXMMRLHRSVGLH-UHFFFAOYSA-N 0 0 443.459 5.338 50 0 IKAARN COc1ccccc1[C@@H]1c2ccc3ccccc3c2Oc2ncn(Cc3ccco3)c(=N)c21 ZINC000101362500 557291790 /nfs/dbraw/zinc/29/17/90/557291790.db2.gz QUSBJULTYTXUHJ-HSZRJFAPSA-N 0 0 435.483 5.452 50 0 IKAARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1 ZINC000101380643 557292254 /nfs/dbraw/zinc/29/22/54/557292254.db2.gz VJPJZXLIGRIPPM-CCLHPLFOSA-N 0 0 438.527 6.548 50 0 IKAARN O=C1Nc2ccc(Cl)cc2[C@@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 ZINC000101494008 557293294 /nfs/dbraw/zinc/29/32/94/557293294.db2.gz LBKJOPAQNVIGJN-QFIPXVFZSA-N 0 0 443.330 6.539 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)no1 ZINC000101718409 557294589 /nfs/dbraw/zinc/29/45/89/557294589.db2.gz YWRDUXNUYNBBTF-INIZCTEOSA-N 0 0 434.721 5.280 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c(C)c1 ZINC000101681189 557295055 /nfs/dbraw/zinc/29/50/55/557295055.db2.gz PJSAOKMUWDYTOF-OAQYLSRUSA-N 0 0 446.595 5.316 50 0 IKAARN O=C(NCc1ccccc1F)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023323894 557295760 /nfs/dbraw/zinc/29/57/60/557295760.db2.gz PNOAZIPONCHSRX-XMMPIXPASA-N 0 0 437.946 5.096 50 0 IKAARN CCCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000014068157 557296667 /nfs/dbraw/zinc/29/66/67/557296667.db2.gz XRCQIWGLCJWKHF-IBGZPJMESA-N 0 0 426.973 5.121 50 0 IKAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 ZINC000014068931 557297387 /nfs/dbraw/zinc/29/73/87/557297387.db2.gz ALIOMSRUYYKIDQ-KRWDZBQOSA-N 0 0 445.548 5.272 50 0 IKAARN CC(C)(C)c1cc(I)c(C(C)(C)C)cc1I ZINC000071787259 557298012 /nfs/dbraw/zinc/29/80/12/557298012.db2.gz RFGPPZHYQDDSLB-UHFFFAOYSA-N 0 0 442.122 5.491 50 0 IKAARN CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101797366 557298941 /nfs/dbraw/zinc/29/89/41/557298941.db2.gz FTBMFBOAECUMAU-GOSISDBHSA-N 0 0 428.323 5.235 50 0 IKAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000014075506 557299181 /nfs/dbraw/zinc/29/91/81/557299181.db2.gz QFUCAJPXSBZCLS-GOSISDBHSA-N 0 0 444.560 5.151 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCCc3nc4ccccc4s3)ccc2OC)cc1 ZINC000014084257 557299626 /nfs/dbraw/zinc/29/96/26/557299626.db2.gz KRPQFEAUSDIJMS-UHFFFAOYSA-N 0 0 432.545 5.942 50 0 IKAARN O=C([C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1)N1CCCCC1 ZINC000014084404 557300018 /nfs/dbraw/zinc/30/00/18/557300018.db2.gz UQDOPPVSOMZQFQ-NRFANRHFSA-N 0 0 436.556 5.265 50 0 IKAARN Cc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCc2ccc(Cl)cc2)c1 ZINC000013148413 557300532 /nfs/dbraw/zinc/30/05/32/557300532.db2.gz PYCZQTULIAPVOQ-UHFFFAOYSA-N 0 0 439.411 7.755 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023324400 557300549 /nfs/dbraw/zinc/30/05/49/557300549.db2.gz KWOYBIMORBCSMF-QHCPKHFHSA-N 0 0 425.359 5.541 50 0 IKAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(Br)cc4)ccc3C(=O)O2)cc1 ZINC000011666565 557300572 /nfs/dbraw/zinc/30/05/72/557300572.db2.gz NCBHPPGUEBQHFC-OAQYLSRUSA-N 0 0 436.305 5.464 50 0 IKAARN COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000023324712 557301463 /nfs/dbraw/zinc/30/14/63/557301463.db2.gz FVPCURCONMRMID-HWBMXIPRSA-N 0 0 429.491 5.124 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)C1CCCCC1 ZINC000101835274 557301612 /nfs/dbraw/zinc/30/16/12/557301612.db2.gz HSXANWVMEBDMCQ-NRFANRHFSA-N 0 0 433.943 5.506 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000014093128 557302121 /nfs/dbraw/zinc/30/21/21/557302121.db2.gz GIQQZVUAVDRWDJ-KKSFZXQISA-N 0 0 436.581 5.595 50 0 IKAARN CC1=CC(C)(C)N=C(SCc2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000102457721 557302408 /nfs/dbraw/zinc/30/24/08/557302408.db2.gz MJSZQTGJYTYORF-UHFFFAOYSA-N 0 0 435.818 6.894 50 0 IKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(F)cc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101836356 557302659 /nfs/dbraw/zinc/30/26/59/557302659.db2.gz VVGHATGNWYNVLP-QHCPKHFHSA-N 0 0 439.494 5.342 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101836119 557302784 /nfs/dbraw/zinc/30/27/84/557302784.db2.gz OPGHFEARSCTOPL-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccco4)nn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101836210 557302789 /nfs/dbraw/zinc/30/27/89/557302789.db2.gz LJOQCOUZWGAVDH-LJQANCHMSA-N 0 0 431.883 5.141 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836345 557302805 /nfs/dbraw/zinc/30/28/05/557302805.db2.gz YEQUNMMVWQWOOY-QFIPXVFZSA-N 0 0 425.467 5.034 50 0 IKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000101836581 557302966 /nfs/dbraw/zinc/30/29/66/557302966.db2.gz QESLEKPOPVFZJX-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc2c(c1)c(C1CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)CC1)cn2C ZINC000023325073 557302955 /nfs/dbraw/zinc/30/29/55/557302955.db2.gz PXRIUZJWNXWVGR-UHFFFAOYSA-N 0 0 435.782 6.467 50 0 IKAARN Cc1nnc(SCc2ccc(Cl)cc2)nc1C=CNc1cccc(C(F)(F)F)c1 ZINC000100104732 557302994 /nfs/dbraw/zinc/30/29/94/557302994.db2.gz NSWCVNWPWDLEQX-MDZDMXLPSA-N 0 0 436.890 6.227 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 ZINC000102486226 557303061 /nfs/dbraw/zinc/30/30/61/557303061.db2.gz AZJDBVZMSCDYJU-PPHZAIPVSA-N 0 0 426.516 6.333 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101836877 557303220 /nfs/dbraw/zinc/30/32/20/557303220.db2.gz JBZLPPAVQQSZEA-IBGZPJMESA-N 0 0 442.350 5.626 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101836880 557303227 /nfs/dbraw/zinc/30/32/27/557303227.db2.gz JBZLPPAVQQSZEA-LJQANCHMSA-N 0 0 442.350 5.626 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101836920 557303240 /nfs/dbraw/zinc/30/32/40/557303240.db2.gz MCEXITGFTFXHCV-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101837116 557303272 /nfs/dbraw/zinc/30/32/72/557303272.db2.gz GRRFMOZMCXDEAY-HXUWFJFHSA-N 0 0 445.885 5.379 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccco4)nn3[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837534 557303489 /nfs/dbraw/zinc/30/34/89/557303489.db2.gz JIFXWBHPDLTWLZ-SFHVURJKSA-N 0 0 449.873 5.280 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Cl ZINC000101856672 557303647 /nfs/dbraw/zinc/30/36/47/557303647.db2.gz WSAOULWRFQKYMU-XMMPIXPASA-N 0 0 445.006 6.637 50 0 IKAARN CC(C)CNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000101856733 557303655 /nfs/dbraw/zinc/30/36/55/557303655.db2.gz BXJCXZMOSTVYCF-RUZDIDTESA-N 0 0 445.006 6.637 50 0 IKAARN CC[C@@H](C)c1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 ZINC000011667153 557304062 /nfs/dbraw/zinc/30/40/62/557304062.db2.gz IUJSUVZZFLENHN-LJQANCHMSA-N 0 0 431.536 5.494 50 0 IKAARN CC[C@H](C)c1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 ZINC000011667154 557304069 /nfs/dbraw/zinc/30/40/69/557304069.db2.gz IUJSUVZZFLENHN-IBGZPJMESA-N 0 0 431.536 5.494 50 0 IKAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cccc3CC)C(=O)C2)cc1 ZINC000101880564 557304643 /nfs/dbraw/zinc/30/46/43/557304643.db2.gz UVEYUIAVUWFCFF-UHFFFAOYSA-N 0 0 440.547 5.011 50 0 IKAARN CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3C(Cl)(Cl)Cl)cc1 ZINC000101892772 557305842 /nfs/dbraw/zinc/30/58/42/557305842.db2.gz BNQNTYCPFBFSJT-IBGZPJMESA-N 0 0 435.742 5.390 50 0 IKAARN CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(Cl)(Cl)Cl)cc1 ZINC000101892767 557305997 /nfs/dbraw/zinc/30/59/97/557305997.db2.gz BNQNTYCPFBFSJT-LJQANCHMSA-N 0 0 435.742 5.390 50 0 IKAARN O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023325757 557307860 /nfs/dbraw/zinc/30/78/60/557307860.db2.gz PZTPGXRXOVENLK-UHFFFAOYSA-N 0 0 441.468 6.606 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@@H]2C1=O ZINC000101946062 557308140 /nfs/dbraw/zinc/30/81/40/557308140.db2.gz YTZUPJYGJONYOT-INIZCTEOSA-N 0 0 439.943 5.132 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)N[C@H]1CCc3ccccc31)C(=O)CC(c1cccs1)=N2 ZINC000101947665 557308298 /nfs/dbraw/zinc/30/82/98/557308298.db2.gz XIVLOYZWPHNEAV-FQEVSTJZSA-N 0 0 443.572 5.026 50 0 IKAARN CCCCc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1 ZINC000101947655 557308315 /nfs/dbraw/zinc/30/83/15/557308315.db2.gz HYYWAQFHAAWIFE-UHFFFAOYSA-N 0 0 431.561 5.587 50 0 IKAARN CCc1ccccc1NC(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O ZINC000101948045 557308615 /nfs/dbraw/zinc/30/86/15/557308615.db2.gz WUNUVEPKUIQBDU-UHFFFAOYSA-N 0 0 431.561 5.424 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1Cl)C(=O)CC(c1cccs1)=N2 ZINC000101948110 557308622 /nfs/dbraw/zinc/30/86/22/557308622.db2.gz KPMDLGKSDIQFHM-UHFFFAOYSA-N 0 0 437.952 5.515 50 0 IKAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1C ZINC000101947993 557308634 /nfs/dbraw/zinc/30/86/34/557308634.db2.gz KYCDUYIDRIZSPQ-UHFFFAOYSA-N 0 0 431.561 5.478 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CC(c1cccs1)=N2 ZINC000101948106 557308647 /nfs/dbraw/zinc/30/86/47/557308647.db2.gz SBYBXFUQWLUGEF-UHFFFAOYSA-N 0 0 437.952 5.515 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023325739 557308937 /nfs/dbraw/zinc/30/89/37/557308937.db2.gz VULPZUNRRMBBSZ-UHFFFAOYSA-N 0 0 425.454 5.043 50 0 IKAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc(OC(F)F)cc3)cc12 ZINC000014128617 557309201 /nfs/dbraw/zinc/30/92/01/557309201.db2.gz KYRHJQLPTLWTBQ-UHFFFAOYSA-N 0 0 431.439 5.447 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)cc1 ZINC000101976264 557309792 /nfs/dbraw/zinc/30/97/92/557309792.db2.gz HJZZBDZEKKIYLI-UHFFFAOYSA-N 0 0 429.495 5.445 50 0 IKAARN CCCCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000102924748 557310066 /nfs/dbraw/zinc/31/00/66/557310066.db2.gz QNXQIEXQGLIJBX-NJDAHSKKSA-N 0 0 447.362 5.642 50 0 IKAARN COc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000014141797 557310426 /nfs/dbraw/zinc/31/04/26/557310426.db2.gz AINSRFFYYAAAHI-INIZCTEOSA-N 0 0 435.574 5.448 50 0 IKAARN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1c[nH]c2ccccc21 ZINC000102003816 557311990 /nfs/dbraw/zinc/31/19/90/557311990.db2.gz WKUMSRDHBIETNG-HHHXNRCGSA-N 0 0 441.575 7.007 50 0 IKAARN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1c[nH]c2ccccc21 ZINC000102003810 557312003 /nfs/dbraw/zinc/31/20/03/557312003.db2.gz WKUMSRDHBIETNG-MHZLTWQESA-N 0 0 441.575 7.007 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCCN(C(=O)c3cc(F)cc(F)c3)CC1)=N2 ZINC000103056701 557312396 /nfs/dbraw/zinc/31/23/96/557312396.db2.gz HACBRRSEOQHVFN-UHFFFAOYSA-N 0 0 447.485 5.305 50 0 IKAARN O=C(Nc1c(F)cc(F)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023326615 557312555 /nfs/dbraw/zinc/31/25/55/557312555.db2.gz RPGZMZFBGCMWTD-UHFFFAOYSA-N 0 0 425.454 5.043 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1 ZINC000103087724 557312733 /nfs/dbraw/zinc/31/27/33/557312733.db2.gz HIFMEZWRVWHWBI-GKCIPKSASA-N 0 0 444.457 5.157 50 0 IKAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000023326890 557312946 /nfs/dbraw/zinc/31/29/46/557312946.db2.gz UNDLTXTUIKZNKJ-UHFFFAOYSA-N 0 0 437.580 5.835 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023326894 557312969 /nfs/dbraw/zinc/31/29/69/557312969.db2.gz KDBMPMIECFJRPA-UHFFFAOYSA-N 0 0 433.617 6.120 50 0 IKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000023326850 557312991 /nfs/dbraw/zinc/31/29/91/557312991.db2.gz LMENBHGLFQHJGW-GOTSBHOMSA-N 0 0 432.564 5.815 50 0 IKAARN CCCOc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2cccnc12 ZINC000032623479 557313595 /nfs/dbraw/zinc/31/35/95/557313595.db2.gz VQJLLISIQFMQNV-UHFFFAOYSA-N 0 0 427.504 5.810 50 0 IKAARN CCCCCn1cc(C2CCN(C(=O)c3cc(Cl)cnc3Cl)CC2)c2ccccc21 ZINC000023327476 557313607 /nfs/dbraw/zinc/31/36/07/557313607.db2.gz PDHQDDNVHDXQDM-UHFFFAOYSA-N 0 0 444.406 6.553 50 0 IKAARN O=C(c1c(F)cccc1C(F)(F)F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023327672 557313950 /nfs/dbraw/zinc/31/39/50/557313950.db2.gz SCFSFBKMTGDRPJ-UHFFFAOYSA-N 0 0 441.468 6.606 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCCC1=CCCCC1 ZINC000004827746 557314605 /nfs/dbraw/zinc/31/46/05/557314605.db2.gz JRMLCQBAZOJNJB-AREMUKBSSA-N 0 0 427.548 5.028 50 0 IKAARN O=S(=O)(c1ccc(F)cc1F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023327973 557314616 /nfs/dbraw/zinc/31/46/16/557314616.db2.gz YHJZBXWQEDOJLY-UHFFFAOYSA-N 0 0 427.516 5.275 50 0 IKAARN CCOP(=O)(OCC)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCCCC1 ZINC000058002238 557314900 /nfs/dbraw/zinc/31/49/00/557314900.db2.gz DYXCUYFLLIJQRH-QFIPXVFZSA-N 0 0 439.577 6.738 50 0 biogenic IKAARN CCOc1ccccc1NC(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201394 557314920 /nfs/dbraw/zinc/31/49/20/557314920.db2.gz XMIYLDXQCAQANW-UHFFFAOYSA-N 0 0 429.476 5.448 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201430 557314937 /nfs/dbraw/zinc/31/49/37/557314937.db2.gz OWWHZJPBTXHZEI-UHFFFAOYSA-N 0 0 433.895 6.011 50 0 IKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)sc2ncn(C)c(=O)c12 ZINC000032768203 557315509 /nfs/dbraw/zinc/31/55/09/557315509.db2.gz YHSZPCRSZPRKAL-UHFFFAOYSA-N 0 0 425.897 5.001 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)[C@H]1C ZINC000102214852 557315553 /nfs/dbraw/zinc/31/55/53/557315553.db2.gz JQJAKBIMFWMGBM-QLFBSQMISA-N 0 0 428.579 5.123 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1ccc(F)cc1Cl ZINC000102300826 557315980 /nfs/dbraw/zinc/31/59/80/557315980.db2.gz NBJNZQRXNTYCMU-UHFFFAOYSA-N 0 0 427.888 5.037 50 0 IKAARN COc1ccc(-c2nnc(SCc3csc(-c4ccc(F)cc4)n3)o2)c(OC)c1 ZINC000014201794 557317564 /nfs/dbraw/zinc/31/75/64/557317564.db2.gz MNCSKPXCKSGSGQ-UHFFFAOYSA-N 0 0 429.498 5.309 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000014198105 557318039 /nfs/dbraw/zinc/31/80/39/557318039.db2.gz HDXUYFRLMWEWCH-UHFFFAOYSA-N 0 0 437.710 5.618 50 0 IKAARN Cc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c(C)n1Cc1ccccn1 ZINC000032921251 557318102 /nfs/dbraw/zinc/31/81/02/557318102.db2.gz YRPJEZIGXSATRI-UHFFFAOYSA-N 0 0 431.565 5.010 50 0 IKAARN Cc1cccc(OCCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1C ZINC000011667331 557318217 /nfs/dbraw/zinc/31/82/17/557318217.db2.gz VBFIRBSJRPFDNZ-FQEVSTJZSA-N 0 0 431.536 5.596 50 0 IKAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000011667365 557318518 /nfs/dbraw/zinc/31/85/18/557318518.db2.gz PTOJDEXXHJQTNZ-QGZVFWFLSA-N 0 0 437.927 5.633 50 0 IKAARN COc1cccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)c1 ZINC000032955130 557318829 /nfs/dbraw/zinc/31/88/29/557318829.db2.gz UBNCOSWXNYTPNQ-UHFFFAOYSA-N 0 0 435.393 6.433 50 0 IKAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1Cl ZINC000104017473 557319270 /nfs/dbraw/zinc/31/92/70/557319270.db2.gz CSUYXPULJWRWEX-VWLOTQADSA-N 0 0 447.922 6.202 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc21 ZINC000032986688 557320337 /nfs/dbraw/zinc/32/03/37/557320337.db2.gz BNCNUSODLXTECS-SFHVURJKSA-N 0 0 426.516 5.800 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4ccccc4Cl)c3)ncn2)cc1 ZINC000033010586 557321049 /nfs/dbraw/zinc/32/10/49/557321049.db2.gz PGMXEMANIZXTHJ-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)cc1C ZINC000102376735 557321267 /nfs/dbraw/zinc/32/12/67/557321267.db2.gz YCQZMSRPYDNYOW-UHFFFAOYSA-N 0 0 445.950 5.131 50 0 IKAARN Cc1cc(NC(=O)c2nc3ccccc3nc2NCc2ccccc2)ccc1Br ZINC000033086122 557322271 /nfs/dbraw/zinc/32/22/71/557322271.db2.gz QGCYYXASKQIIOW-UHFFFAOYSA-N 0 0 447.336 5.565 50 0 IKAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1F ZINC000104232248 557323055 /nfs/dbraw/zinc/32/30/55/557323055.db2.gz RATXTWMKLCBDGX-VWLOTQADSA-N 0 0 431.467 5.687 50 0 IKAARN CCOC(=O)[C@@H](C)NC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)cc(OCC)c2c1 ZINC000033129278 557324884 /nfs/dbraw/zinc/32/48/84/557324884.db2.gz VJSSCJPZCWDHSX-CQSZACIVSA-N 0 0 441.915 5.027 50 0 IKAARN COc1cccc(NC(=O)c2cccc(-c3ccc(Oc4cccc(OC)c4)nn3)c2)c1 ZINC000033131055 557325281 /nfs/dbraw/zinc/32/52/81/557325281.db2.gz CUMRJDHRHPQOGN-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccc(C)cc4)cc3)n2)cc1 ZINC000033130367 557325306 /nfs/dbraw/zinc/32/53/06/557325306.db2.gz VTIXZLPNLNJSEJ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN O=C(Nc1ccccc1Cl)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106556 557326066 /nfs/dbraw/zinc/32/60/66/557326066.db2.gz CPDOQBXTNXCHHY-UHFFFAOYSA-N 0 0 445.954 5.092 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4c(F)cccc4Cl)cc3)sc2c1 ZINC000033169174 557326280 /nfs/dbraw/zinc/32/62/80/557326280.db2.gz NTZAMCXOOZICDM-UHFFFAOYSA-N 0 0 446.956 6.006 50 0 IKAARN CC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c1 ZINC000033169385 557326672 /nfs/dbraw/zinc/32/66/72/557326672.db2.gz XNQUFFKYWWFCJU-UHFFFAOYSA-N 0 0 425.488 6.472 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033265563 557328280 /nfs/dbraw/zinc/32/82/80/557328280.db2.gz WIJQNAQABWOCSD-HNNXBMFYSA-N 0 0 425.985 6.488 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 ZINC000033271262 557328607 /nfs/dbraw/zinc/32/86/07/557328607.db2.gz UWMZCLQYRXBTAX-SFHVURJKSA-N 0 0 432.549 5.299 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(CC)cc3)sc2c1 ZINC000033271672 557328648 /nfs/dbraw/zinc/32/86/48/557328648.db2.gz KRFQQJUJHISZQP-GOSISDBHSA-N 0 0 432.549 5.226 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccccc3CC)cc21 ZINC000033278529 557329136 /nfs/dbraw/zinc/32/91/36/557329136.db2.gz OAWNHRJVBMFYGE-UHFFFAOYSA-N 0 0 425.532 6.815 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 ZINC000033278666 557329153 /nfs/dbraw/zinc/32/91/53/557329153.db2.gz JFXNACOPFKTFBP-UHFFFAOYSA-N 0 0 435.886 6.737 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSCc2ccc(-c3nc(-c4ccccc4C)no3)o2)cc1 ZINC000033262413 557330170 /nfs/dbraw/zinc/33/01/70/557330170.db2.gz JUYSSVXVEQSZHU-UHFFFAOYSA-N 0 0 447.516 5.380 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccccc2OCC)n1 ZINC000033279920 557331553 /nfs/dbraw/zinc/33/15/53/557331553.db2.gz KOEORJMVVUXDSY-UHFFFAOYSA-N 0 0 430.508 5.356 50 0 IKAARN COc1ccc(C2=CCN(C(=O)c3c(C)onc3-c3c(F)cccc3Cl)CC2)cc1 ZINC000060883123 557333342 /nfs/dbraw/zinc/33/33/42/557333342.db2.gz LKVGDLSHXILWQS-UHFFFAOYSA-N 0 0 426.875 5.381 50 0 IKAARN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000033348769 557333823 /nfs/dbraw/zinc/33/38/23/557333823.db2.gz LTZJRFUZALMWKK-WCTLISOUSA-N 0 0 429.339 5.420 50 0 IKAARN COc1c2cc(NC(=O)c3ccc4ccccc4n3)ccc2oc1C(=O)Nc1ccccc1 ZINC000033310130 557333833 /nfs/dbraw/zinc/33/38/33/557333833.db2.gz VBZNWZYNFGMZNO-UHFFFAOYSA-N 0 0 437.455 5.494 50 0 IKAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)c1 ZINC000033405410 557334524 /nfs/dbraw/zinc/33/45/24/557334524.db2.gz QWDSOWBDBFOAKV-UHFFFAOYSA-N 0 0 426.900 5.479 50 0 IKAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(Cc2ccc3c(c2)OCO3)C1 ZINC000033406864 557335076 /nfs/dbraw/zinc/33/50/76/557335076.db2.gz FLRZXYGXQWRXAC-UHFFFAOYSA-N 0 0 445.471 5.152 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@@H]1C ZINC000014357040 557335385 /nfs/dbraw/zinc/33/53/85/557335385.db2.gz XQQRZJNAYJNLCY-QRVBRYPASA-N 0 0 438.593 5.164 50 0 IKAARN COc1ccc(-n2c(S[C@H](C)C(=O)c3cc(C)c(C)cc3C)nc3ccccc32)cc1 ZINC000014357171 557335457 /nfs/dbraw/zinc/33/54/57/557335457.db2.gz YZKUMUHQWMSCDF-LJQANCHMSA-N 0 0 430.573 6.323 50 0 IKAARN Cc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)c1 ZINC000000836719 557336234 /nfs/dbraw/zinc/33/62/34/557336234.db2.gz YIHQJNZPBXHQLN-KRWDZBQOSA-N 0 0 444.815 5.025 50 0 IKAARN Cn1c2ccccc2c(C(=O)COC(=O)c2ccc(Br)o2)c1-c1ccccc1 ZINC000014360708 557336313 /nfs/dbraw/zinc/33/63/13/557336313.db2.gz RDMOLOAIIDMQIT-UHFFFAOYSA-N 0 0 438.277 5.241 50 0 IKAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)n1 ZINC000014360443 557336342 /nfs/dbraw/zinc/33/63/42/557336342.db2.gz XCCYXGQAPBTBOQ-UHFFFAOYSA-N 0 0 447.951 5.546 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NC(C)(C)C)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000263621498 557337742 /nfs/dbraw/zinc/33/77/42/557337742.db2.gz BMFRSUUPDIARMS-NNYNENLHSA-N 0 0 429.626 7.437 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccc1)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000263621507 557337808 /nfs/dbraw/zinc/33/78/08/557337808.db2.gz CFNNBDMQWZZTNH-CEUISCJQSA-N 0 0 449.616 8.161 50 0 IKAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023328554 557338141 /nfs/dbraw/zinc/33/81/41/557338141.db2.gz XNTOLMZACOVYNX-AREMUKBSSA-N 0 0 430.592 5.741 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cc(C)ccc1C ZINC000023328942 557338374 /nfs/dbraw/zinc/33/83/74/557338374.db2.gz AABUPKYRAXTZHU-UHFFFAOYSA-N 0 0 426.582 5.549 50 0 IKAARN CCC(=O)Nc1c2ccn(Cc3ccc(Cl)cc3)c2ccc1OC(=O)N(CC)CC ZINC000023329273 557338917 /nfs/dbraw/zinc/33/89/17/557338917.db2.gz YVAALUVALRGQIP-UHFFFAOYSA-N 0 0 427.932 5.532 50 0 IKAARN COc1ccccc1C1CCN(Cc2csc(Cc3ccc(F)cc3Cl)n2)CC1 ZINC000023329556 557339308 /nfs/dbraw/zinc/33/93/08/557339308.db2.gz HHEWKDHSXRDDBL-UHFFFAOYSA-N 0 0 430.976 5.915 50 0 IKAARN COc1ccc(/C=C\C(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1OC ZINC000033575875 557339432 /nfs/dbraw/zinc/33/94/32/557339432.db2.gz JATDWXHHFNRLEE-SQFISAMPSA-N 0 0 444.556 6.308 50 0 IKAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)cc1Cl ZINC000102529528 557340432 /nfs/dbraw/zinc/34/04/32/557340432.db2.gz XDFYORWWMIEOMD-UHFFFAOYSA-N 0 0 447.922 5.153 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000222446198 557340399 /nfs/dbraw/zinc/34/03/99/557340399.db2.gz OZMKOAJSAFGHAK-OCVGTWLNSA-N 0 0 440.897 5.600 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c(Cl)c1 ZINC000102530121 557341472 /nfs/dbraw/zinc/34/14/72/557341472.db2.gz QCLVKPVPTYLFIN-UHFFFAOYSA-N 0 0 445.950 5.761 50 0 IKAARN CC(=O)c1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000102530105 557341533 /nfs/dbraw/zinc/34/15/33/557341533.db2.gz WUKDTBIGZFNRSK-UHFFFAOYSA-N 0 0 439.515 5.002 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)C2)cc1 ZINC000102530362 557342601 /nfs/dbraw/zinc/34/26/01/557342601.db2.gz ROAHGCSNCYWRHG-UHFFFAOYSA-N 0 0 447.922 5.153 50 0 IKAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1ccc(F)cc1F ZINC000102530576 557342664 /nfs/dbraw/zinc/34/26/64/557342664.db2.gz ATFBBJURINESKD-UHFFFAOYSA-N 0 0 439.849 5.114 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)cc1 ZINC000102530697 557342808 /nfs/dbraw/zinc/34/28/08/557342808.db2.gz MXBLCYJEOGDYOY-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000102530601 557342823 /nfs/dbraw/zinc/34/28/23/557342823.db2.gz PRQACVZRUSURCV-UHFFFAOYSA-N 0 0 445.950 5.960 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3F)C(=O)C2)c(C)c1 ZINC000102531078 557343134 /nfs/dbraw/zinc/34/31/34/557343134.db2.gz QXIQKLTVCBHYQZ-UHFFFAOYSA-N 0 0 433.458 5.078 50 0 IKAARN CC(C)(C)C1CCC(NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 ZINC000023331023 557343189 /nfs/dbraw/zinc/34/31/89/557343189.db2.gz DIESMNSLBNKZFA-UHFFFAOYSA-N 0 0 437.534 6.152 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)c(C)c1 ZINC000102531208 557343353 /nfs/dbraw/zinc/34/33/53/557343353.db2.gz NXVTVJCYSFYDAV-UHFFFAOYSA-N 0 0 439.559 5.725 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2)c(C)c1 ZINC000102531146 557343356 /nfs/dbraw/zinc/34/33/56/557343356.db2.gz BXFMYQDSYGTLHC-UHFFFAOYSA-N 0 0 449.913 5.592 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)C2)c(C)c1 ZINC000102531150 557343479 /nfs/dbraw/zinc/34/34/79/557343479.db2.gz AUNVSOQMGZYGRN-UHFFFAOYSA-N 0 0 445.950 5.761 50 0 IKAARN O=C(Nc1cc(F)cc(F)c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023331681 557343840 /nfs/dbraw/zinc/34/38/40/557343840.db2.gz IQQBZRCDAUWMJR-HSZRJFAPSA-N 0 0 441.909 5.557 50 0 IKAARN CC[C@@H](C(=O)N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1)c1ccccc1 ZINC000023332178 557344224 /nfs/dbraw/zinc/34/42/24/557344224.db2.gz GLAOVGGVTUYTSV-QGZVFWFLSA-N 0 0 444.362 5.943 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2CCCOC(C)C ZINC000023332507 557344505 /nfs/dbraw/zinc/34/45/05/557344505.db2.gz QKSFNKUNDJSXFN-UHFFFAOYSA-N 0 0 447.000 5.974 50 0 IKAARN COc1ccc(-c2onc3c2CCC3)cc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000023332301 557344510 /nfs/dbraw/zinc/34/45/10/557344510.db2.gz OSWOTAMUAZKQRV-DHZHZOJOSA-N 0 0 428.410 5.510 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cc(F)cc(F)c1 ZINC000023332337 557344534 /nfs/dbraw/zinc/34/45/34/557344534.db2.gz CNTXFEBAZVMZFH-UHFFFAOYSA-N 0 0 434.508 5.210 50 0 IKAARN CCOc1ccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)cc1 ZINC000014608885 557344802 /nfs/dbraw/zinc/34/48/02/557344802.db2.gz ZWZJUBPROIJCKW-UHFFFAOYSA-N 0 0 446.576 5.496 50 0 IKAARN COc1ccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)cc1 ZINC000014608883 557344861 /nfs/dbraw/zinc/34/48/61/557344861.db2.gz XFWMCIYSLASQOI-UHFFFAOYSA-N 0 0 432.549 5.106 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1Cc1ccc(Cl)cc1 ZINC000014609290 557345112 /nfs/dbraw/zinc/34/51/12/557345112.db2.gz ZLPWFOLNDUMSCF-UHFFFAOYSA-N 0 0 436.968 5.371 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CC(C)C)c1 ZINC000023332802 557346104 /nfs/dbraw/zinc/34/61/04/557346104.db2.gz WLJHWFVQNSBVAL-LJQANCHMSA-N 0 0 437.588 5.375 50 0 IKAARN CC(=O)c1sc(NC(=O)c2cccnc2Sc2ccccc2)nc1-c1ccccc1 ZINC000014658002 557347386 /nfs/dbraw/zinc/34/73/86/557347386.db2.gz YJVNLMBFTUUWDN-UHFFFAOYSA-N 0 0 431.542 5.811 50 0 IKAARN C[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)c1ccc(Br)cc1 ZINC000023333808 557347971 /nfs/dbraw/zinc/34/79/71/557347971.db2.gz FSYPWPKRAHOLCS-GFCCVEGCSA-N 0 0 430.323 5.397 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000023335855 557348229 /nfs/dbraw/zinc/34/82/29/557348229.db2.gz ASROZCMUKBPLRP-UHFFFAOYSA-N 0 0 444.305 6.713 50 0 IKAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N(C)C4CCCCC4)c3)n2)o1 ZINC000023336049 557348514 /nfs/dbraw/zinc/34/85/14/557348514.db2.gz VCWZGWBUAGYDSF-UHFFFAOYSA-N 0 0 435.572 5.224 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023336541 557348767 /nfs/dbraw/zinc/34/87/67/557348767.db2.gz UDGDJJMGJHVKDJ-GOSISDBHSA-N 0 0 443.513 6.504 50 0 IKAARN Cc1cc2nc(-c3ccccc3)c(N3CCN(C(=O)C4CCCCC4)CC3)nc2cc1C ZINC000023336874 557349178 /nfs/dbraw/zinc/34/91/78/557349178.db2.gz GSZKHJLMMDQQCJ-UHFFFAOYSA-N 0 0 428.580 5.143 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)NCC(C)(C)C)cc2)n1 ZINC000023336575 557349186 /nfs/dbraw/zinc/34/91/86/557349186.db2.gz MICMMGQDSJXGFJ-UHFFFAOYSA-N 0 0 433.552 5.054 50 0 IKAARN O=C(c1cccc(F)c1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023334599 557349483 /nfs/dbraw/zinc/34/94/83/557349483.db2.gz ZMDOECSKZNNIJM-UHFFFAOYSA-N 0 0 443.349 5.680 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1NC(=O)C1CC1 ZINC000023334916 557349787 /nfs/dbraw/zinc/34/97/87/557349787.db2.gz OPICHJHLFXJSAU-UHFFFAOYSA-N 0 0 439.943 5.532 50 0 IKAARN CC(=O)c1cccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000023335394 557350305 /nfs/dbraw/zinc/35/03/05/557350305.db2.gz DIOVVSPURNHGKZ-UHFFFAOYSA-N 0 0 449.501 5.107 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N4CCC[C@@H]5CCCC[C@@H]54)c3)n2)o1 ZINC000023426414 557353463 /nfs/dbraw/zinc/35/34/63/557353463.db2.gz YKAWTZDVLKVRPB-AVRDEDQJSA-N 0 0 433.556 5.149 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N4CCC[C@@H]5CCCC[C@H]54)c3)n2)o1 ZINC000023426422 557353762 /nfs/dbraw/zinc/35/37/62/557353762.db2.gz YKAWTZDVLKVRPB-PGRDOPGGSA-N 0 0 433.556 5.149 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000023428085 557353988 /nfs/dbraw/zinc/35/39/88/557353988.db2.gz HFSZLUQUAFLMNJ-HSZRJFAPSA-N 0 0 434.923 5.696 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1cc(C)oc1C)CC2 ZINC000023436513 557354267 /nfs/dbraw/zinc/35/42/67/557354267.db2.gz SHNVWVVPQUAFPI-HSZRJFAPSA-N 0 0 425.912 5.355 50 0 IKAARN Fc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000102564398 557354511 /nfs/dbraw/zinc/35/45/11/557354511.db2.gz DCXCQAJNLSJJKK-OAHLLOKOSA-N 0 0 429.204 5.799 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(F)ccc1C)n2C(C)C ZINC000023437997 557354548 /nfs/dbraw/zinc/35/45/48/557354548.db2.gz BFIBWRXVRMGUQR-UHFFFAOYSA-N 0 0 449.617 5.388 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000023437175 557354631 /nfs/dbraw/zinc/35/46/31/557354631.db2.gz MMLGMQHCLPJOQI-OALUTQOASA-N 0 0 445.563 5.143 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2Cl)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023431016 557355366 /nfs/dbraw/zinc/35/53/66/557355366.db2.gz AGWYSPOLDHKQBO-UHFFFAOYSA-N 0 0 440.733 6.521 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023431070 557355368 /nfs/dbraw/zinc/35/53/68/557355368.db2.gz GNVQNFAOHPUTLT-VQIMIIECSA-N 0 0 449.599 5.473 50 0 IKAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023432929 557355643 /nfs/dbraw/zinc/35/56/43/557355643.db2.gz AKMZWCUWNMQPJY-NRFANRHFSA-N 0 0 431.454 6.226 50 0 IKAARN COc1ccc(-c2ccc(C(=O)N(Cc3ccccc3)C(C)C)s2)c(OC)c1OC ZINC000023433035 557355650 /nfs/dbraw/zinc/35/56/50/557355650.db2.gz NEZNNYAKKSMCNU-UHFFFAOYSA-N 0 0 425.550 5.492 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n(-c2ccccc2Cl)n1 ZINC000023432366 557355728 /nfs/dbraw/zinc/35/57/28/557355728.db2.gz ICPXOPQSHGYNCP-UHFFFAOYSA-N 0 0 439.840 6.233 50 0 IKAARN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023452201 557356003 /nfs/dbraw/zinc/35/60/03/557356003.db2.gz FYYCJMAQEHTOBE-UHFFFAOYSA-N 0 0 439.412 5.832 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCC[C@@H]5CCCC[C@@H]54)c3)n2)o1 ZINC000023434332 557356062 /nfs/dbraw/zinc/35/60/62/557356062.db2.gz NQOUECJARBGBCE-CYFREDJKSA-N 0 0 447.583 5.224 50 0 IKAARN CCOC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023434645 557356067 /nfs/dbraw/zinc/35/60/67/557356067.db2.gz VYOOBKVKKTZPTD-SFHVURJKSA-N 0 0 437.536 5.518 50 0 IKAARN O=C(NCc1ccsc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023448617 557356216 /nfs/dbraw/zinc/35/62/16/557356216.db2.gz KGTURRISXSGZND-UHFFFAOYSA-N 0 0 428.344 6.042 50 0 IKAARN COc1cccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cc(Cl)ccc4F)cc3)n2)c1 ZINC000023448514 557356237 /nfs/dbraw/zinc/35/62/37/557356237.db2.gz NJIHBQQNGZUJAW-UHFFFAOYSA-N 0 0 435.886 5.475 50 0 IKAARN O=C(CCc1ccccc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023449084 557356344 /nfs/dbraw/zinc/35/63/44/557356344.db2.gz RBYSPUYZSJPMIZ-UHFFFAOYSA-N 0 0 427.523 5.639 50 0 IKAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cc(C(F)(F)F)ccc2F)cc1 ZINC000023448571 557356363 /nfs/dbraw/zinc/35/63/63/557356363.db2.gz ASUJOVAXUSKDKB-HNNXBMFYSA-N 0 0 440.440 6.724 50 0 IKAARN COc1ccc(-c2onc(C)c2C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000023450251 557356579 /nfs/dbraw/zinc/35/65/79/557356579.db2.gz SMUCHYMYLMKGLF-UHFFFAOYSA-N 0 0 426.516 5.611 50 0 IKAARN C[C@H](Oc1ccccc1)C(=O)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023450257 557356652 /nfs/dbraw/zinc/35/66/52/557356652.db2.gz UZXSZIRWCDYGLZ-INIZCTEOSA-N 0 0 438.886 5.617 50 0 IKAARN O=C(NCc1cccs1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023450990 557356815 /nfs/dbraw/zinc/35/68/15/557356815.db2.gz LGKFSMPFXMBVEC-UHFFFAOYSA-N 0 0 427.451 5.754 50 0 IKAARN COc1ccc(CCCNC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)cc1 ZINC000023450688 557356848 /nfs/dbraw/zinc/35/68/48/557356848.db2.gz QQXAWGMYUVCWAE-UHFFFAOYSA-N 0 0 447.485 5.189 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)Cc1cccs1)CC2 ZINC000023450382 557356886 /nfs/dbraw/zinc/35/68/86/557356886.db2.gz RHBHJMZPJQUKAF-HSZRJFAPSA-N 0 0 445.943 5.275 50 0 IKAARN CC[C@H](C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccc(OC)cc1)c1ccccc1 ZINC000023450988 557356902 /nfs/dbraw/zinc/35/69/02/557356902.db2.gz BQDCHTLQMHRNQG-QHCPKHFHSA-N 0 0 428.532 5.867 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000023451571 557357140 /nfs/dbraw/zinc/35/71/40/557357140.db2.gz HCQODRDALBWXDZ-UHFFFAOYSA-N 0 0 443.934 6.077 50 0 IKAARN COc1cccc(-c2c[nH]c(-c3cccc(CNC(=O)c4cc(Cl)ccc4F)c3)n2)c1 ZINC000023451709 557357145 /nfs/dbraw/zinc/35/71/45/557357145.db2.gz DSMDBPNFJTUNED-UHFFFAOYSA-N 0 0 435.886 5.475 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1F)CC2 ZINC000023451114 557357151 /nfs/dbraw/zinc/35/71/51/557357151.db2.gz GMLNWAXETVPBNG-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN O=C(c1ccccc1Cl)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023451098 557357156 /nfs/dbraw/zinc/35/71/56/557357156.db2.gz SDVRLIWKVFORTN-UHFFFAOYSA-N 0 0 429.951 5.758 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(F)cc1)CC2 ZINC000023438778 557357363 /nfs/dbraw/zinc/35/73/63/557357363.db2.gz TVCUSZDHTBZTTN-HSZRJFAPSA-N 0 0 425.887 5.284 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)n1 ZINC000023438267 557357455 /nfs/dbraw/zinc/35/74/55/557357455.db2.gz QDWIXAXMBLXNFX-SFHVURJKSA-N 0 0 445.563 5.205 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Cc1cccs1)CC2 ZINC000023439912 557357697 /nfs/dbraw/zinc/35/76/97/557357697.db2.gz HOVBNOZYMSNVDZ-HSZRJFAPSA-N 0 0 427.953 5.136 50 0 IKAARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1 ZINC000102602387 557357783 /nfs/dbraw/zinc/35/77/83/557357783.db2.gz YRJQLCBYFLJOIC-WGDIFIGCSA-N 0 0 428.488 5.761 50 0 IKAARN CC[C@H](C(=O)NCc1ccc(-c2nc(-c3cccc(OC)c3)c[nH]2)cc1)c1ccccc1 ZINC000023441674 557357886 /nfs/dbraw/zinc/35/78/86/557357886.db2.gz BYGZFMCKORGZFK-DEOSSOPVSA-N 0 0 425.532 5.562 50 0 IKAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000023441262 557357903 /nfs/dbraw/zinc/35/79/03/557357903.db2.gz HIMSNMDJHYJXHP-DEOSSOPVSA-N 0 0 437.923 5.154 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N(Cc1ccccc1)C(C)C ZINC000023441173 557357925 /nfs/dbraw/zinc/35/79/25/557357925.db2.gz TVYYESYNHPKTOX-UHFFFAOYSA-N 0 0 443.469 5.754 50 0 IKAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023441157 557358015 /nfs/dbraw/zinc/35/80/15/557358015.db2.gz HMDCCQMILRTOBP-OAQYLSRUSA-N 0 0 447.909 6.740 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1)CC2 ZINC000023441939 557358254 /nfs/dbraw/zinc/35/82/54/557358254.db2.gz GQWKYBBIQUHSMY-HSZRJFAPSA-N 0 0 425.887 5.284 50 0 IKAARN COc1ccc2nc(-c3ccc(F)cc3C(F)(F)F)n(Cc3ccccc3)c(=O)c2c1 ZINC000023442029 557358298 /nfs/dbraw/zinc/35/82/98/557358298.db2.gz GCCCLPBPPIASNG-UHFFFAOYSA-N 0 0 428.385 5.278 50 0 IKAARN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023442487 557358334 /nfs/dbraw/zinc/35/83/34/557358334.db2.gz OOUNXEQZPLWBFY-IGKIAQTJSA-N 0 0 437.543 5.611 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000023443913 557358541 /nfs/dbraw/zinc/35/85/41/557358541.db2.gz OUJOZQDOEQUMMY-HSZRJFAPSA-N 0 0 442.342 5.799 50 0 IKAARN COc1cc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC000023444145 557358558 /nfs/dbraw/zinc/35/85/58/557358558.db2.gz LSMIBRPQMWDKOY-XGHQBKJUSA-N 0 0 448.563 5.482 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC000023446154 557358837 /nfs/dbraw/zinc/35/88/37/557358837.db2.gz CYBYLXJDYVITGD-AREMUKBSSA-N 0 0 447.550 5.928 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000023445747 557358872 /nfs/dbraw/zinc/35/88/72/557358872.db2.gz OJVQFENNXBMMER-QHCPKHFHSA-N 0 0 442.342 5.799 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023445858 557358880 /nfs/dbraw/zinc/35/88/80/557358880.db2.gz AEZMPZWZSYEXQK-UHFFFAOYSA-N 0 0 431.923 5.726 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023447537 557359066 /nfs/dbraw/zinc/35/90/66/557359066.db2.gz CGDPDEHRSRKFEV-GOSISDBHSA-N 0 0 449.572 5.848 50 0 IKAARN Cc1c(C(=O)N[C@H](C)CCc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000023446775 557359106 /nfs/dbraw/zinc/35/91/06/557359106.db2.gz SVGOBKCZFBTCDD-LJQANCHMSA-N 0 0 426.564 5.579 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccccc1C(F)(F)F)CC2 ZINC000023447455 557359208 /nfs/dbraw/zinc/35/92/08/557359208.db2.gz BAICWCLMOXVRPN-QHCPKHFHSA-N 0 0 441.449 5.511 50 0 IKAARN O=C(CCc1ccc(F)cc1)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023447407 557359242 /nfs/dbraw/zinc/35/92/42/557359242.db2.gz CFEKAXNGOBZVQI-UHFFFAOYSA-N 0 0 441.550 5.563 50 0 IKAARN O=C(/C=C/c1ccc(F)cc1)N1CCC(n2c3ccccc3nc2Cc2ccccc2)CC1 ZINC000023448127 557359457 /nfs/dbraw/zinc/35/94/57/557359457.db2.gz CWDZYIJCPXGQKX-NTCAYCPXSA-N 0 0 439.534 5.643 50 0 IKAARN CC(C)c1ccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023452084 557359500 /nfs/dbraw/zinc/35/95/00/557359500.db2.gz WTAKPBVKQDZOLX-UHFFFAOYSA-N 0 0 437.587 6.228 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1ccc(C)cc1 ZINC000023458229 557359559 /nfs/dbraw/zinc/35/95/59/557359559.db2.gz IJVMJQIGYBVWJW-UHFFFAOYSA-N 0 0 426.560 6.814 50 0 IKAARN COc1ccccc1CC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023458176 557359585 /nfs/dbraw/zinc/35/95/85/557359585.db2.gz QFQKTASTVDRHJK-UHFFFAOYSA-N 0 0 443.522 5.257 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)c(F)c1)n2Cc1ccccc1 ZINC000023458469 557359764 /nfs/dbraw/zinc/35/97/64/557359764.db2.gz WZBJDXNEJSSIQX-UHFFFAOYSA-N 0 0 434.536 6.001 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n2Cc1ccccc1 ZINC000023458765 557359790 /nfs/dbraw/zinc/35/97/90/557359790.db2.gz DVEBNFNFJYXJMT-UHFFFAOYSA-N 0 0 436.964 6.207 50 0 IKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000023458819 557359845 /nfs/dbraw/zinc/35/98/45/557359845.db2.gz UYFAVGLBZVVGTR-UHFFFAOYSA-N 0 0 447.922 5.140 50 0 IKAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)n2)o1 ZINC000023458579 557359848 /nfs/dbraw/zinc/35/98/48/557359848.db2.gz ZNSGWMDINHNMNO-SFHVURJKSA-N 0 0 443.551 5.310 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1F)n2Cc1ccccc1 ZINC000023459535 557360135 /nfs/dbraw/zinc/36/01/35/557360135.db2.gz DMQATGYUTOUCJB-UHFFFAOYSA-N 0 0 434.536 6.001 50 0 IKAARN COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3ccc(Cl)cc3)c2)cc1OC ZINC000023459483 557360184 /nfs/dbraw/zinc/36/01/84/557360184.db2.gz MRGJRPLWGYWXJD-UHFFFAOYSA-N 0 0 447.922 5.140 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)cc2)cc1C ZINC000023459894 557360269 /nfs/dbraw/zinc/36/02/69/557360269.db2.gz VCYVFVJNZKHZRF-UHFFFAOYSA-N 0 0 436.511 6.056 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2cccc(C)c2)n1 ZINC000023460191 557360340 /nfs/dbraw/zinc/36/03/40/557360340.db2.gz PEUNAZPXSZCPIU-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN O=C(N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1)C1(c2ccccc2)CC1 ZINC000023459920 557360404 /nfs/dbraw/zinc/36/04/04/557360404.db2.gz UVIPNUMQQRHVPO-UHFFFAOYSA-N 0 0 439.534 5.738 50 0 IKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000102648490 557360851 /nfs/dbraw/zinc/36/08/51/557360851.db2.gz HGEXYNKJYDCORC-JOCHJYFZSA-N 0 0 429.347 6.806 50 0 IKAARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000102648173 557360878 /nfs/dbraw/zinc/36/08/78/557360878.db2.gz ACWAEVCSYLUJHP-PZGXJGMVSA-N 0 0 436.599 7.922 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1-c1ccc(F)cc1 ZINC000023461215 557360926 /nfs/dbraw/zinc/36/09/26/557360926.db2.gz XNZPSMCVDKWTNC-UHFFFAOYSA-N 0 0 434.486 6.475 50 0 IKAARN CCCSc1ncccc1C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023461767 557360940 /nfs/dbraw/zinc/36/09/40/557360940.db2.gz IMRGSTNJOAHVSU-UHFFFAOYSA-N 0 0 441.556 6.257 50 0 IKAARN COc1cc2nc(-c3ccc(C)o3)cc(C(=O)NCc3ccc(C)cc3C)c2cc1OC ZINC000023461370 557360967 /nfs/dbraw/zinc/36/09/67/557360967.db2.gz QLROUENZFCUQDJ-UHFFFAOYSA-N 0 0 430.504 5.367 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)ccc(C)c1F)n2Cc1ccco1 ZINC000023461301 557360980 /nfs/dbraw/zinc/36/09/80/557360980.db2.gz ROIWRQFWWNFHMW-UHFFFAOYSA-N 0 0 442.487 5.733 50 0 IKAARN O=c1c2cc(Br)ccc2nc(-c2ccc3ccccc3c2)n1Cc1ccccc1 ZINC000023461976 557361227 /nfs/dbraw/zinc/36/12/27/557361227.db2.gz DXUQNDPSICOZAH-UHFFFAOYSA-N 0 0 441.328 6.028 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023461891 557361241 /nfs/dbraw/zinc/36/12/41/557361241.db2.gz IRHOAHPSRJIWBO-UHFFFAOYSA-N 0 0 439.559 6.406 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000102650311 557361293 /nfs/dbraw/zinc/36/12/93/557361293.db2.gz MFXZUKHOGRUQDA-DEOSSOPVSA-N 0 0 432.520 5.676 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCCc3ccc(OC)cc3)c3ccccc3n2)cc1 ZINC000023452325 557361529 /nfs/dbraw/zinc/36/15/29/557361529.db2.gz RVHBYUUGJBIGHR-UHFFFAOYSA-N 0 0 426.516 5.282 50 0 IKAARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3cccc(O)c3)C12 ZINC000102656990 557361627 /nfs/dbraw/zinc/36/16/27/557361627.db2.gz OCDOTKKQCJEZIH-FQEVSTJZSA-N 0 0 438.940 5.601 50 0 IKAARN COc1ccc(OC)c([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 ZINC000102675554 557361731 /nfs/dbraw/zinc/36/17/31/557361731.db2.gz JSGXHINLAZTFER-JOCHJYFZSA-N 0 0 448.548 5.259 50 0 IKAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@@H](C)CCc4ccccc4)c3)n2)o1 ZINC000023453799 557361846 /nfs/dbraw/zinc/36/18/46/557361846.db2.gz VHSSXTUMECBPHK-SFHVURJKSA-N 0 0 443.551 5.105 50 0 IKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3ccc(F)c(F)c3)nc2c1 ZINC000023453819 557361872 /nfs/dbraw/zinc/36/18/72/557361872.db2.gz VNXAUOLGLKVKLP-UHFFFAOYSA-N 0 0 426.850 5.910 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000102659283 557361969 /nfs/dbraw/zinc/36/19/69/557361969.db2.gz DYFYPNDWLNTWQW-PEBXRYMYSA-N 0 0 436.899 5.014 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000102659287 557361989 /nfs/dbraw/zinc/36/19/89/557361989.db2.gz DYFYPNDWLNTWQW-JLCFBVMHSA-N 0 0 436.899 5.014 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000102659281 557362043 /nfs/dbraw/zinc/36/20/43/557362043.db2.gz DYFYPNDWLNTWQW-FPTDNZKUSA-N 0 0 436.899 5.014 50 0 IKAARN O=C(/C=C/c1ccc(F)cc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023455151 557362196 /nfs/dbraw/zinc/36/21/96/557362196.db2.gz UUIFPJCVGXPKRK-MDWZMJQESA-N 0 0 443.497 5.858 50 0 IKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000023454909 557362199 /nfs/dbraw/zinc/36/21/99/557362199.db2.gz UGRMDPJGEAGKLG-UHFFFAOYSA-N 0 0 439.342 6.594 50 0 IKAARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c(OC)c1 ZINC000102664084 557362362 /nfs/dbraw/zinc/36/23/62/557362362.db2.gz VORZGSGFJCBSCU-QFIPXVFZSA-N 0 0 448.548 5.259 50 0 IKAARN Cc1ccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1C ZINC000023455902 557362357 /nfs/dbraw/zinc/36/23/57/557362357.db2.gz MMDXMOFSGYYJDE-UHFFFAOYSA-N 0 0 427.523 5.937 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(-c3ccccc3)cc1)n2CCOC ZINC000023455756 557362459 /nfs/dbraw/zinc/36/24/59/557362459.db2.gz GKSONMCROMBECH-UHFFFAOYSA-N 0 0 446.572 5.819 50 0 IKAARN COc1ccc(CC(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023456796 557362641 /nfs/dbraw/zinc/36/26/41/557362641.db2.gz XANXQTBUNZUCRS-UHFFFAOYSA-N 0 0 443.522 5.257 50 0 IKAARN CC(C)CN(CC(C)C)c1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000023456296 557362721 /nfs/dbraw/zinc/36/27/21/557362721.db2.gz MROSLWWZVGDWLA-UHFFFAOYSA-N 0 0 425.576 7.208 50 0 IKAARN COc1ccc(OC)c(-c2c[nH]c(-c3cccc(CNC(=O)c4cccc(C)c4C)c3)n2)c1 ZINC000023457047 557362754 /nfs/dbraw/zinc/36/27/54/557362754.db2.gz RQGODBVSLZZZCD-UHFFFAOYSA-N 0 0 441.531 5.308 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3onc4c3CCc3ccccc3-4)cc2)c1 ZINC000023457594 557362935 /nfs/dbraw/zinc/36/29/35/557362935.db2.gz OSQBPOVZZGVLIO-UHFFFAOYSA-N 0 0 426.472 5.377 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)n2)o1 ZINC000023457071 557363007 /nfs/dbraw/zinc/36/30/07/557363007.db2.gz CTGOZAFGZRBHLQ-MRXNPFEDSA-N 0 0 429.524 5.019 50 0 IKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCc2cccc(Cl)c2)cc1 ZINC000023457588 557363015 /nfs/dbraw/zinc/36/30/15/557363015.db2.gz IMKWVJFIZRRREM-UHFFFAOYSA-N 0 0 443.934 5.434 50 0 IKAARN Cc1ccc([C@@H](C)C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023457621 557363265 /nfs/dbraw/zinc/36/32/65/557363265.db2.gz HTPJUOHMHUNTLF-HXUWFJFHSA-N 0 0 441.550 6.118 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(I)c1 ZINC000102645810 557363660 /nfs/dbraw/zinc/36/36/60/557363660.db2.gz VWQTWKIFPSJYSH-HXUWFJFHSA-N 0 0 444.316 6.163 50 0 IKAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000102689717 557363846 /nfs/dbraw/zinc/36/38/46/557363846.db2.gz WMTVKRCQBJIXBW-QKKBWIMNSA-N 0 0 449.436 5.843 50 0 IKAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)C(N1CCOCC1)=Nc1cc(Cl)ccc1O2 ZINC000102696344 557364982 /nfs/dbraw/zinc/36/49/82/557364982.db2.gz WPINPEIGEVFTNK-UHFFFAOYSA-N 0 0 427.932 5.231 50 0 IKAARN O=C(Nc1ccc2c(c1)C(N1CCOCC1)=Nc1cc(Cl)ccc1O2)c1ccccc1 ZINC000102696459 557365069 /nfs/dbraw/zinc/36/50/69/557365069.db2.gz WLCPSWSLPGQXPB-UHFFFAOYSA-N 0 0 433.895 5.109 50 0 IKAARN COCCN(C)C1=Nc2ccccc2Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 ZINC000102696822 557365114 /nfs/dbraw/zinc/36/51/14/557365114.db2.gz NSHYYJUXJFMELK-UHFFFAOYSA-N 0 0 435.911 5.355 50 0 IKAARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102702090 557365625 /nfs/dbraw/zinc/36/56/25/557365625.db2.gz QMJPXRTYIUZVBT-HUTHGQBESA-N 0 0 436.340 5.233 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102703523 557366132 /nfs/dbraw/zinc/36/61/32/557366132.db2.gz FWPXXWJCAFWHHE-DNVJHFABSA-N 0 0 432.907 5.008 50 0 IKAARN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1C ZINC000102706635 557366833 /nfs/dbraw/zinc/36/68/33/557366833.db2.gz DJOYRLBCLJOQFF-KWXIBIRDSA-N 0 0 448.522 5.508 50 0 IKAARN CCc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000102707450 557367167 /nfs/dbraw/zinc/36/71/67/557367167.db2.gz SDKLWRWAVXGWGH-KWXIBIRDSA-N 0 0 448.522 5.453 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c(C)c1 ZINC000011689786 557367888 /nfs/dbraw/zinc/36/78/88/557367888.db2.gz GDTBQHKRCBOYCD-UHFFFAOYSA-N 0 0 431.355 5.131 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000102710058 557367955 /nfs/dbraw/zinc/36/79/55/557367955.db2.gz SFWRWQOJEDGSAH-VWLOTQADSA-N 0 0 434.536 5.906 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000102680953 557368277 /nfs/dbraw/zinc/36/82/77/557368277.db2.gz APXHILLUAHEILA-VPUSJEBWSA-N 0 0 442.559 6.244 50 0 IKAARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102678697 557368285 /nfs/dbraw/zinc/36/82/85/557368285.db2.gz YRRGIRMXBSLSSV-UQBPGWFLSA-N 0 0 444.535 5.571 50 0 IKAARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1ccco1 ZINC000102680534 557368329 /nfs/dbraw/zinc/36/83/29/557368329.db2.gz AHAKRYMTYTYSOB-IVCQMTBJSA-N 0 0 428.488 6.004 50 0 IKAARN COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 ZINC000011689982 557368469 /nfs/dbraw/zinc/36/84/69/557368469.db2.gz GOQNGZJIWZKJSR-UHFFFAOYSA-N 0 0 436.895 5.759 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000102683232 557368567 /nfs/dbraw/zinc/36/85/67/557368567.db2.gz ZDVFMUKSJKBTKY-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000023603936 557368605 /nfs/dbraw/zinc/36/86/05/557368605.db2.gz SPNDNZBBYVHGFG-UHFFFAOYSA-N 0 0 438.505 5.413 50 0 IKAARN Cc1c(C(=O)Nc2ncc(Cc3cccc4ccccc43)s2)nnn1-c1ccc(C)cc1 ZINC000011690082 557368804 /nfs/dbraw/zinc/36/88/04/557368804.db2.gz OOOOEYNFIHMVTQ-UHFFFAOYSA-N 0 0 439.544 5.337 50 0 IKAARN O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000524730125 557369161 /nfs/dbraw/zinc/36/91/61/557369161.db2.gz WTIPLJORJPPRHV-GOSISDBHSA-N 0 0 435.435 5.155 50 0 biogenic IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102722592 557369162 /nfs/dbraw/zinc/36/91/62/557369162.db2.gz MQGPCBFYKQYAIN-FNZWTVRRSA-N 0 0 448.526 5.889 50 0 IKAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1OC ZINC000102723025 557369189 /nfs/dbraw/zinc/36/91/89/557369189.db2.gz UJNMUVXRJCPGME-AOMKIAJQSA-N 0 0 446.503 5.617 50 0 IKAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1OC ZINC000102723019 557369251 /nfs/dbraw/zinc/36/92/51/557369251.db2.gz UJNMUVXRJCPGME-KSFYIVLOSA-N 0 0 446.503 5.617 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)cc1 ZINC000050011322 557369424 /nfs/dbraw/zinc/36/94/24/557369424.db2.gz MGZKPMKNQSJING-UHFFFAOYSA-N 0 0 426.630 5.377 50 0 IKAARN Cc1cccc(N2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1 ZINC000011690336 557369562 /nfs/dbraw/zinc/36/95/62/557369562.db2.gz SJLQYDTZFQXYOQ-YBFXNURJSA-N 0 0 430.312 6.803 50 0 IKAARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102727556 557370250 /nfs/dbraw/zinc/37/02/50/557370250.db2.gz MYRHAKXGORPFSA-LRTDBIEQSA-N 0 0 441.314 6.603 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4Cl)CC3=O)n2)cc1OC ZINC000102728627 557370524 /nfs/dbraw/zinc/37/05/24/557370524.db2.gz JKXJUOOJBJGRSJ-UHFFFAOYSA-N 0 0 427.913 5.247 50 0 IKAARN CC[C@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl ZINC000050073094 557370568 /nfs/dbraw/zinc/37/05/68/557370568.db2.gz RRINXGACOWHPCW-DNVCBOLYSA-N 0 0 445.412 5.405 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102728691 557370623 /nfs/dbraw/zinc/37/06/23/557370623.db2.gz IYGHJVDWDNIWHR-QMHKHESXSA-N 0 0 432.476 5.314 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736698 557371155 /nfs/dbraw/zinc/37/11/55/557371155.db2.gz QDBHHIFPYJLHRN-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@@H](C(C)C)O[C@@H]2C(C)C ZINC000524733559 557371158 /nfs/dbraw/zinc/37/11/58/557371158.db2.gz WCOFHAMHJJNIMX-AZUAARDMSA-N 0 0 445.581 5.480 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102735942 557373369 /nfs/dbraw/zinc/37/33/69/557373369.db2.gz IZRGMSVRVHAMNO-ISJGIBHGSA-N 0 0 438.458 5.030 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736177 557373701 /nfs/dbraw/zinc/37/37/01/557373701.db2.gz SALBNUSWSPILRS-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O ZINC000102716931 557374745 /nfs/dbraw/zinc/37/47/45/557374745.db2.gz UJBZXYAFASJMCL-OYHNWAKOSA-N 0 0 432.476 5.314 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102717385 557375151 /nfs/dbraw/zinc/37/51/51/557375151.db2.gz LIEWMCGEEMYSGL-RJGXRXQPSA-N 0 0 432.907 5.008 50 0 IKAARN COc1ccc(OC)c([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)c1 ZINC000102719299 557375612 /nfs/dbraw/zinc/37/56/12/557375612.db2.gz URSKXRRSLLNFJN-CMJOXMDJSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc(OC)c([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)c1 ZINC000102719288 557375738 /nfs/dbraw/zinc/37/57/38/557375738.db2.gz URSKXRRSLLNFJN-NPMXOYFQSA-N 0 0 432.476 5.314 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102743256 557376788 /nfs/dbraw/zinc/37/67/88/557376788.db2.gz BPCKCISMEYBLFD-RBZQAINGSA-N 0 0 426.516 5.035 50 0 IKAARN COc1cc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(Cl)cc4)CC(=O)C32)ccc1O ZINC000102743971 557377000 /nfs/dbraw/zinc/37/70/00/557377000.db2.gz ARMOYIVKYFSWTF-RNODOKPDSA-N 0 0 438.871 5.066 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000102775248 557382353 /nfs/dbraw/zinc/38/23/53/557382353.db2.gz SIEROZRAJQYOLF-WXTAPIANSA-N 0 0 428.488 5.858 50 0 IKAARN CCCN(C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1)c1ccc(Cl)c(Cl)c1 ZINC000011691391 557382420 /nfs/dbraw/zinc/38/24/20/557382420.db2.gz SLBANXDBWFSQAA-UHFFFAOYSA-N 0 0 446.359 5.581 50 0 IKAARN CCc1ccc(-n2nc(C)c(=O)c(-c3ccc(OC)cc3)c2NC(=O)c2ccccc2)cc1 ZINC000011692015 557385054 /nfs/dbraw/zinc/38/50/54/557385054.db2.gz YXDZDYRACQXWEZ-UHFFFAOYSA-N 0 0 439.515 5.031 50 0 IKAARN CN(Cc1ccsc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000023957795 557388689 /nfs/dbraw/zinc/38/86/89/557388689.db2.gz GASXFCALJQVEEF-FQEVSTJZSA-N 0 0 447.387 5.055 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000011692470 557388716 /nfs/dbraw/zinc/38/87/16/557388716.db2.gz INDLABONRCQYKS-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000102794849 557388812 /nfs/dbraw/zinc/38/88/12/557388812.db2.gz CXLDHSSULMVOMU-KPURRNSFSA-N 0 0 436.555 6.955 50 0 IKAARN COc1ccc(Br)cc1[C@@H]1CC(c2cccs2)=Nc2nc3ccccc3n21 ZINC000102798533 557389004 /nfs/dbraw/zinc/38/90/04/557389004.db2.gz JMNBQHMPQFWZLM-SFHVURJKSA-N 0 0 438.350 5.925 50 0 IKAARN O=Cc1cc(Br)cc(Br)c1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000011692811 557389410 /nfs/dbraw/zinc/38/94/10/557389410.db2.gz QLEUQIVVMZZREQ-ZZXKWVIFSA-N 0 0 444.506 5.296 50 0 IKAARN CCc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cc(Br)ccc3F)C2)cc1 ZINC000102799587 557389731 /nfs/dbraw/zinc/38/97/31/557389731.db2.gz BUYBNYXVUSTRKJ-HSZRJFAPSA-N 0 0 448.339 6.556 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)NC2CCCCC2)nn1 ZINC000023997120 557390591 /nfs/dbraw/zinc/39/05/91/557390591.db2.gz QOODDKCNROUGLZ-UHFFFAOYSA-N 0 0 442.585 5.256 50 0 IKAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1Cl ZINC000011694992 557393013 /nfs/dbraw/zinc/39/30/13/557393013.db2.gz ZYTFQZWHBYAKET-UHFFFAOYSA-N 0 0 438.983 5.023 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000013897426 557393189 /nfs/dbraw/zinc/39/31/89/557393189.db2.gz RECOYUYTJYWFOG-UHFFFAOYSA-N 0 0 431.344 5.977 50 0 IKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 ZINC000072400795 557393865 /nfs/dbraw/zinc/39/38/65/557393865.db2.gz AZFGEWGBZDEHLC-KXBFYZLASA-N 0 0 438.597 5.095 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000102830457 557394052 /nfs/dbraw/zinc/39/40/52/557394052.db2.gz MIEJPGXSMSNVDK-WCCASYEZSA-N 0 0 440.341 5.416 50 0 IKAARN COc1cc2c(cc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc54)nc3)n2C)c(OC)c1 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MVJSHACVBUOGCS-VULZFCBJSA-N 0 0 437.326 6.297 50 0 IKAARN COc1cc2nc(SC[C@@H]3CCCCO3)n(C3CCCCCC3)c(=N)c2cc1OC ZINC000100330629 557400313 /nfs/dbraw/zinc/40/03/13/557400313.db2.gz LZPLZVBTRVPSSH-KRWDZBQOSA-N 0 0 431.602 5.089 50 0 IKAARN O=C(Nc1nccs1)c1cc(N2CCC(Cc3ccccc3)CC2)nc2ccccc21 ZINC000033475753 557400794 /nfs/dbraw/zinc/40/07/94/557400794.db2.gz RZUWTGCRGBATMU-UHFFFAOYSA-N 0 0 428.561 5.403 50 0 IKAARN CCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102861850 557402626 /nfs/dbraw/zinc/40/26/26/557402626.db2.gz WZOAJEIYWQFXPT-MHZLTWQESA-N 0 0 448.607 7.362 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000100429572 557402727 /nfs/dbraw/zinc/40/27/27/557402727.db2.gz QPJOZWQOFMZQPP-CLYVBNDRSA-N 0 0 442.515 6.248 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1C ZINC000004903282 557402730 /nfs/dbraw/zinc/40/27/30/557402730.db2.gz JLXNHVDPRMSQRE-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000100429576 557402738 /nfs/dbraw/zinc/40/27/38/557402738.db2.gz QPJOZWQOFMZQPP-XRHLQHRESA-N 0 0 442.515 6.248 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1 ZINC000100429434 557402778 /nfs/dbraw/zinc/40/27/78/557402778.db2.gz CLGJGVPRZABLNA-XRHLQHRESA-N 0 0 442.515 6.248 50 0 IKAARN Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000004903322 557403009 /nfs/dbraw/zinc/40/30/09/557403009.db2.gz VNCZCJCLOVDFEB-NRFANRHFSA-N 0 0 425.532 5.253 50 0 IKAARN CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O ZINC000004910920 557403678 /nfs/dbraw/zinc/40/36/78/557403678.db2.gz HVZDFWPCHNOMJN-QGZVFWFLSA-N 0 0 425.960 5.273 50 0 IKAARN CCn1cc(CN(C(=S)Nc2cc(C)cc(C)c2)C2CCCCCC2)c2ccccc21 ZINC000004914012 557403989 /nfs/dbraw/zinc/40/39/89/557403989.db2.gz IJZWTDKGUOQIMT-UHFFFAOYSA-N 0 0 433.665 7.200 50 0 IKAARN CCc1ccccc1NC(=S)N(Cc1cn(CC)c2ccccc12)C1CCCCCC1 ZINC000004913831 557404007 /nfs/dbraw/zinc/40/40/07/557404007.db2.gz VDPMTIXPMVLRRH-UHFFFAOYSA-N 0 0 433.665 7.145 50 0 IKAARN COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc(OC)c1OC ZINC000102865314 557404311 /nfs/dbraw/zinc/40/43/11/557404311.db2.gz QMBZIZNFBUTWDM-VWLOTQADSA-N 0 0 431.513 5.963 50 0 IKAARN Cn1cc(CN(C(=S)Nc2ccc(Cl)cc2)C2CCCCCC2)c2ccccc21 ZINC000004912267 557404398 /nfs/dbraw/zinc/40/43/98/557404398.db2.gz DTCABKFTAOOFKG-UHFFFAOYSA-N 0 0 426.029 6.754 50 0 IKAARN CC[C@H](C(=O)NC1CCCCC1)n1c2cnccc2nc1SCc1cccc(F)c1 ZINC000004914182 557404417 /nfs/dbraw/zinc/40/44/17/557404417.db2.gz FZXYTJNNNPRAHE-HXUWFJFHSA-N 0 0 426.561 5.263 50 0 aggregator IKAARN COc1cc(OC)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102865678 557404453 /nfs/dbraw/zinc/40/44/53/557404453.db2.gz LWSZBFZOQJOTCJ-RUZDIDTESA-N 0 0 436.552 6.201 50 0 IKAARN CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000102877361 557406709 /nfs/dbraw/zinc/40/67/09/557406709.db2.gz HZYPSYKSPBDQBY-SANMLTNESA-N 0 0 448.563 6.296 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000102879530 557407316 /nfs/dbraw/zinc/40/73/16/557407316.db2.gz GZCBREOSOKFUPB-NFQMXDRXSA-N 0 0 442.946 6.910 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2Cl)n1 ZINC000036082937 557412382 /nfs/dbraw/zinc/41/23/82/557412382.db2.gz GRJGLWONXDPEFH-UHFFFAOYSA-N 0 0 432.351 5.322 50 0 IKAARN O=c1[nH]c(CSc2nnc(Nc3ccccc3F)s2)nc2c3ccccc3oc21 ZINC000061126225 557414741 /nfs/dbraw/zinc/41/47/41/557414741.db2.gz BHHBGJKUJXLCFS-UHFFFAOYSA-N 0 0 425.470 5.108 50 0 IKAARN CCC(=O)Oc1cccc2ccc(/C=C\c3cc4c(cc3Br)OCO4)nc21 ZINC000033591807 557415819 /nfs/dbraw/zinc/41/58/19/557415819.db2.gz BZZMPTITEXETGU-CLFYSBASSA-N 0 0 426.266 5.212 50 0 IKAARN O=C(Nc1ccccc1F)N1CCCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000103071916 557418056 /nfs/dbraw/zinc/41/80/56/557418056.db2.gz QYNYEYZAQVDXRO-UHFFFAOYSA-N 0 0 430.483 5.250 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000004972101 557421311 /nfs/dbraw/zinc/42/13/11/557421311.db2.gz ABBJUNJDCWVEDW-UHFFFAOYSA-N 0 0 425.528 6.211 50 0 aggregator IKAARN C[C@@H]1CCC[C@H](NC(=O)CCCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@H]1C ZINC000103141679 557423324 /nfs/dbraw/zinc/42/33/24/557423324.db2.gz HASBTLLFIJYYAW-CZSZKKDXSA-N 0 0 436.596 5.358 50 0 IKAARN O=C(Nc1ccc2c(c1)C(N1CCOCC1)=Nc1ccccc1O2)c1ccc(Cl)cc1 ZINC000103154641 557424438 /nfs/dbraw/zinc/42/44/38/557424438.db2.gz ZGEFLQGHGNVJIX-UHFFFAOYSA-N 0 0 433.895 5.109 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(SC)cc2)c1 ZINC000103177084 557425654 /nfs/dbraw/zinc/42/56/54/557425654.db2.gz WOAILKNGXYOOAL-RDGATRHJSA-N 0 0 432.545 5.668 50 0 IKAARN CCN(CC)C1=Nc2ccccc2Oc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc21 ZINC000103188754 557425915 /nfs/dbraw/zinc/42/59/15/557425915.db2.gz UHKSTDJCCKVRQX-UHFFFAOYSA-N 0 0 445.519 5.482 50 0 IKAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cc(Br)cs1 ZINC000103335959 557434009 /nfs/dbraw/zinc/43/40/09/557434009.db2.gz JJPVMODGMUIOPR-UITAMQMPSA-N 0 0 427.245 5.184 50 0 IKAARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 ZINC000103450754 557437409 /nfs/dbraw/zinc/43/74/09/557437409.db2.gz RENLHQBTYTUIPA-XHCCPWGMSA-N 0 0 427.548 6.755 50 0 IKAARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000103450745 557437420 /nfs/dbraw/zinc/43/74/20/557437420.db2.gz RENLHQBTYTUIPA-PPHZAIPVSA-N 0 0 427.548 6.755 50 0 IKAARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000103524826 557438415 /nfs/dbraw/zinc/43/84/15/557438415.db2.gz LWNNTGLJJKCIJE-HSZRJFAPSA-N 0 0 435.593 5.856 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@H]2c1ccc(F)cc1 ZINC000103546951 557438652 /nfs/dbraw/zinc/43/86/52/557438652.db2.gz NWGKGPICPVVJLY-IBGZPJMESA-N 0 0 446.547 6.551 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)[C@H]1C ZINC000103614457 557439215 /nfs/dbraw/zinc/43/92/15/557439215.db2.gz DXQXKCUFSHUQGB-FGSXEWAUSA-N 0 0 433.596 5.553 50 0 IKAARN Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2Cl)c1 ZINC000103623915 557440121 /nfs/dbraw/zinc/44/01/21/557440121.db2.gz VZBZBBBEIOIRPQ-RUZDIDTESA-N 0 0 426.938 6.333 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1Cl)C[C@](C)(CC)OC3 ZINC000024545252 557442069 /nfs/dbraw/zinc/44/20/69/557442069.db2.gz PNEFYWYJGYTISX-QFIPXVFZSA-N 0 0 449.041 5.903 50 0 IKAARN CC(=CC(=O)OCCCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)NC1CCCCC1 ZINC000103853155 557442094 /nfs/dbraw/zinc/44/20/94/557442094.db2.gz ILZAKBZNOVDNEZ-MNDPQUGUSA-N 0 0 429.645 6.289 50 0 IKAARN CCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)COC(C)(C)C4 ZINC000024544803 557442136 /nfs/dbraw/zinc/44/21/36/557442136.db2.gz LBDBPSMQAQVNTN-UHFFFAOYSA-N 0 0 442.635 5.595 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@H]1c1ccccc1Cl ZINC000103893244 557442291 /nfs/dbraw/zinc/44/22/91/557442291.db2.gz WOSAUWOLWBWDQO-DEOSSOPVSA-N 0 0 429.366 6.458 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000104006120 557448798 /nfs/dbraw/zinc/44/87/98/557448798.db2.gz MHXRPKVZGJIWMS-NSYGIPOTSA-N 0 0 432.520 6.457 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000104077761 557449801 /nfs/dbraw/zinc/44/98/01/557449801.db2.gz PVJKNBRRRAQJIF-WTYVLRPYSA-N 0 0 440.518 6.704 50 0 IKAARN COc1ccc([C@@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000104131667 557450967 /nfs/dbraw/zinc/45/09/67/557450967.db2.gz HRULZSQFVHKDPZ-QFIPXVFZSA-N 0 0 446.507 5.441 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(OCc4ccccc4)cc3)C12 ZINC000104154508 557451235 /nfs/dbraw/zinc/45/12/35/557451235.db2.gz RBPWPISNPRUYGL-LJAQVGFWSA-N 0 0 447.559 7.516 50 0 IKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC ZINC000104158637 557451681 /nfs/dbraw/zinc/45/16/81/557451681.db2.gz RARIFBVFOAQOEU-WTYVLRPYSA-N 0 0 440.543 6.641 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccccc1 ZINC000104171818 557452226 /nfs/dbraw/zinc/45/22/26/557452226.db2.gz TWLBOFDAPGQBON-XHCCPWGMSA-N 0 0 426.491 6.396 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000101192555 557455719 /nfs/dbraw/zinc/45/57/19/557455719.db2.gz USUKRHRKFGRIRR-KZVDOYCCSA-N 0 0 430.858 5.193 50 0 IKAARN CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000101192472 557455765 /nfs/dbraw/zinc/45/57/65/557455765.db2.gz LIPPHDMICQMURW-DYQSUWPFSA-N 0 0 435.277 5.379 50 0 IKAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1OCc1ccc(F)cc1 ZINC000014802569 557457033 /nfs/dbraw/zinc/45/70/33/557457033.db2.gz FRHWDSBBGDXBIN-UHFFFAOYSA-N 0 0 438.886 5.437 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000014801962 557457083 /nfs/dbraw/zinc/45/70/83/557457083.db2.gz HVTLYSHZNVBTIO-DEOSSOPVSA-N 0 0 427.485 5.062 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000015905995 557466353 /nfs/dbraw/zinc/46/63/53/557466353.db2.gz RASQLJPRIAXTQV-AWNIVKPZSA-N 0 0 447.343 5.446 50 0 IKAARN COc1cccc(CN(Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000104961408 557469477 /nfs/dbraw/zinc/46/94/77/557469477.db2.gz VBAFMKZWDHNJIH-UXHICEINSA-N 0 0 435.568 5.221 50 0 IKAARN C[C@@H]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c2ccccc2S1 ZINC000024585747 557476394 /nfs/dbraw/zinc/47/63/94/557476394.db2.gz GFBAXEFHQNGGIL-QGZVFWFLSA-N 0 0 433.577 5.044 50 0 IKAARN CCn1c(SCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)nnc1-c1cccs1 ZINC000026684958 557493343 /nfs/dbraw/zinc/49/33/43/557493343.db2.gz SLULBKZWWNWROD-LBPRGKRZSA-N 0 0 440.516 5.015 50 0 IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000014850571 557495800 /nfs/dbraw/zinc/49/58/00/557495800.db2.gz XKDWYGDGZLJLHH-UHFFFAOYSA-N 0 0 425.529 5.412 50 0 IKAARN COc1ccccc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019898914 557498593 /nfs/dbraw/zinc/49/85/93/557498593.db2.gz LKDWIBJAODAFFN-NFBKMPQASA-N 0 0 425.315 6.244 50 0 IKAARN O=C1Nc2c(cc(Cl)cc2Cl)[C@@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000051330293 557500561 /nfs/dbraw/zinc/50/05/61/557500561.db2.gz NLNANYATVPQJFK-HRAATJIYSA-N 0 0 442.327 5.404 50 0 IKAARN CCCN1C(=O)C(C(=O)C=Cc2ccc(C)cc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 ZINC000105521368 557507245 /nfs/dbraw/zinc/50/72/45/557507245.db2.gz RJSILIMLFOXVLP-BMHXJGASSA-N 0 0 429.560 6.135 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)nc1C ZINC000051330452 557507255 /nfs/dbraw/zinc/50/72/55/557507255.db2.gz FCHAMQYISDHWJM-BNTDYBCNSA-N 0 0 442.588 5.612 50 0 IKAARN C[C@@H](c1nn(CN2CCC[C@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C ZINC000105948418 557512201 /nfs/dbraw/zinc/51/22/01/557512201.db2.gz JIXVFDDGRDNDAW-KKSFZXQISA-N 0 0 443.567 5.099 50 0 IKAARN COc1ccc(Cn2cc([C@H](CC(N)=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 ZINC000105988069 557512438 /nfs/dbraw/zinc/51/24/38/557512438.db2.gz VOUHGHQZKVFUKW-RUZDIDTESA-N 0 0 440.587 6.003 50 0 IKAARN COc1ccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(N3CCCC[C@H]3C)n2)cc1 ZINC000106005458 557512782 /nfs/dbraw/zinc/51/27/82/557512782.db2.gz GGSGCSCFOPWRAK-RTBURBONSA-N 0 0 430.552 5.022 50 0 IKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000046891404 557512991 /nfs/dbraw/zinc/51/29/91/557512991.db2.gz YALJPFVRCGQXAJ-RYUDHWBXSA-N 0 0 425.278 5.149 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(-c3cc(-c4cccc(Br)c4)[nH]n3)n2)c1 ZINC000046914133 557513510 /nfs/dbraw/zinc/51/35/10/557513510.db2.gz JDONBBWWJBGPKQ-UHFFFAOYSA-N 0 0 435.203 5.575 50 0 IKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000046916112 557514038 /nfs/dbraw/zinc/51/40/38/557514038.db2.gz ZTBSFMQNVPJHMH-UHFFFAOYSA-N 0 0 425.204 5.684 50 0 IKAARN O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(COc2ccc(Cl)cc2Cl)cc1 ZINC000036612031 557516820 /nfs/dbraw/zinc/51/68/20/557516820.db2.gz GQKCHRYHLGXLIQ-UHFFFAOYSA-N 0 0 438.314 6.010 50 0 IKAARN O=C(CSCc1cccc(Br)c1)NCCSc1ccc(Cl)cc1 ZINC000020238267 557518993 /nfs/dbraw/zinc/51/89/93/557518993.db2.gz VALGMOMJQYUGBF-UHFFFAOYSA-N 0 0 430.820 5.244 50 0 IKAARN O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1cccc(COCC(F)(F)F)c1 ZINC000002795482 557522045 /nfs/dbraw/zinc/52/20/45/557522045.db2.gz RWXZCGGZXKEQFH-UHFFFAOYSA-N 0 0 441.812 5.055 50 0 IKAARN COc1ccc(CNC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000002825097 557522070 /nfs/dbraw/zinc/52/20/70/557522070.db2.gz ASJFXJAEWRVWEZ-UHFFFAOYSA-N 0 0 443.541 5.657 50 0 IKAARN Cc1sc2ncn3nc(-c4cc(Br)c(Br)s4)nc3c2c1C ZINC000002808260 557522928 /nfs/dbraw/zinc/52/29/28/557522928.db2.gz MKYLPARYGMUYRR-UHFFFAOYSA-N 0 0 444.177 5.209 50 0 IKAARN COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000196867435 557523000 /nfs/dbraw/zinc/52/30/00/557523000.db2.gz VPKBWBFNBSRWOB-MUUNZHRXSA-N 0 0 449.550 5.774 50 0 IKAARN CC(C)N(C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1)C(C)C ZINC000003112253 557523182 /nfs/dbraw/zinc/52/31/82/557523182.db2.gz NEPFAOCMTBOLAG-UHFFFAOYSA-N 0 0 435.387 5.484 50 0 IKAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3C)C2=O)cc1 ZINC000003223390 557523462 /nfs/dbraw/zinc/52/34/62/557523462.db2.gz NSDLPRZVJYUDRM-HMAPJEAMSA-N 0 0 432.907 5.293 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)ccc2OC)cc1 ZINC000012034893 557524646 /nfs/dbraw/zinc/52/46/46/557524646.db2.gz JMBPDBXJIMGFIE-UHFFFAOYSA-N 0 0 434.517 5.057 50 0 IKAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OCC ZINC000012062898 557525798 /nfs/dbraw/zinc/52/57/98/557525798.db2.gz VWNKHFAPEPOMAB-HSZRJFAPSA-N 0 0 435.520 5.244 50 0 IKAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c(C)c1 ZINC000012062355 557526338 /nfs/dbraw/zinc/52/63/38/557526338.db2.gz RIOVJYJZKRWIFN-UHFFFAOYSA-N 0 0 437.609 5.083 50 0 IKAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)Nc1ccccc1C ZINC000012062300 557526420 /nfs/dbraw/zinc/52/64/20/557526420.db2.gz CUIUGDOPJHWUKD-UHFFFAOYSA-N 0 0 447.560 5.163 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)c(C)c3)C2)cc1 ZINC000106389780 557528527 /nfs/dbraw/zinc/52/85/27/557528527.db2.gz ZJOPLVGITMANIE-FYYLOGMGSA-N 0 0 444.579 5.288 50 0 IKAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]12 ZINC000025184846 557529140 /nfs/dbraw/zinc/52/91/40/557529140.db2.gz JKFFPBPVDGNIPG-IFMALSPDSA-N 0 0 447.888 5.683 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 ZINC000025186154 557529287 /nfs/dbraw/zinc/52/92/87/557529287.db2.gz KEIAAMYZIDAWDK-UHFFFAOYSA-N 0 0 444.947 5.732 50 0 IKAARN C[C@@H](CC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@@H]1C)CC(C)(C)C ZINC000106606960 557530461 /nfs/dbraw/zinc/53/04/61/557530461.db2.gz KNRJAHFUWFTQIV-ROUUACIJSA-N 0 0 445.007 5.422 50 0 IKAARN Cc1ccc(C(=O)C[C@H](Nc2cccc(Br)c2)c2ccc(Cl)cc2)cc1 ZINC000003168696 557531965 /nfs/dbraw/zinc/53/19/65/557531965.db2.gz HOSCNGAMVAHOPY-NRFANRHFSA-N 0 0 428.757 6.837 50 0 IKAARN C[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])[C@H]1C ZINC000106886146 557532972 /nfs/dbraw/zinc/53/29/72/557532972.db2.gz TZYIHUYEHUQDFT-ZMPRRUGASA-N 0 0 442.962 6.095 50 0 IKAARN COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000106937196 557533898 /nfs/dbraw/zinc/53/38/98/557533898.db2.gz YYVKVFVTWZCTOS-RDGATRHJSA-N 0 0 448.906 5.110 50 0 IKAARN CCCCCC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000106937322 557534001 /nfs/dbraw/zinc/53/40/01/557534001.db2.gz ADHFDROAWBZRKA-FYYLOGMGSA-N 0 0 427.386 6.679 50 0 IKAARN COc1ccc(Br)c(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)c1 ZINC000211146408 557534343 /nfs/dbraw/zinc/53/43/43/557534343.db2.gz KFCJVHUBAFCONV-SFHVURJKSA-N 0 0 440.790 5.432 50 0 IKAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc21)[C@H]1C[C@@H]1C ZINC000107508375 557536079 /nfs/dbraw/zinc/53/60/79/557536079.db2.gz GTPJOUCVMBDGOE-PTRWSTAQSA-N 0 0 446.616 5.593 50 0 IKAARN CCOC(=O)C[C@H](NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)c1ccccc1 ZINC000085808187 557536741 /nfs/dbraw/zinc/53/67/41/557536741.db2.gz UKRGRNNZYDDPQI-QFIPXVFZSA-N 0 0 445.494 5.790 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000085808001 557536783 /nfs/dbraw/zinc/53/67/83/557536783.db2.gz NWSWROUGECSWPP-UHFFFAOYSA-N 0 0 433.895 6.309 50 0 IKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1 ZINC000085808168 557536806 /nfs/dbraw/zinc/53/68/06/557536806.db2.gz TZIKOVYIHTZULX-UHFFFAOYSA-N 0 0 431.467 5.724 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000085808015 557536809 /nfs/dbraw/zinc/53/68/09/557536809.db2.gz HJRCJKYOMWDRFR-UHFFFAOYSA-N 0 0 433.895 6.309 50 0 IKAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000044803531 557537073 /nfs/dbraw/zinc/53/70/73/557537073.db2.gz LSBDJKJFJGNFFS-AWEZNQCLSA-N 0 0 445.350 5.190 50 0 IKAARN CCc1c(C)c(C(=O)N2CCN(c3ccccc3C)CC2)n(Cc2cccc(F)c2)c1C ZINC000044854676 557537680 /nfs/dbraw/zinc/53/76/80/557537680.db2.gz FYSAROHULMFUHU-UHFFFAOYSA-N 0 0 433.571 5.126 50 0 IKAARN CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000044841410 557539508 /nfs/dbraw/zinc/53/95/08/557539508.db2.gz LIXZWYWIPFZMSD-UHFFFAOYSA-N 0 0 440.849 5.020 50 0 IKAARN CC[C@@H](c1nc2ccccc2c(=O)n1C1CCCCCC1)N1C(=O)c2ccccc2C1=O ZINC000044928629 557541007 /nfs/dbraw/zinc/54/10/07/557541007.db2.gz ZURSVTIXXIQYIY-QFIPXVFZSA-N 0 0 429.520 5.039 50 0 IKAARN C[C@H](OC/C=C\c1ccccc1)c1nc2ccccc2c(=O)n1NC/C=C/c1ccccc1 ZINC000108869019 557543748 /nfs/dbraw/zinc/54/37/48/557543748.db2.gz VBBGSCFNHSGYRG-TUNYSKHMSA-N 0 0 437.543 5.444 50 0 IKAARN C[C@H](OC/C=C/c1ccccc1)c1nc2ccccc2c(=O)n1NC/C=C\c1ccccc1 ZINC000108869022 557543800 /nfs/dbraw/zinc/54/38/00/557543800.db2.gz VBBGSCFNHSGYRG-VNFFOJAOSA-N 0 0 437.543 5.444 50 0 IKAARN Cn1c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000045940739 557549051 /nfs/dbraw/zinc/54/90/51/557549051.db2.gz GVZSBMGPRWBGJK-UHFFFAOYSA-N 0 0 445.588 5.578 50 0 IKAARN Cc1ccc(Sc2cc3c(cc2NC(=O)c2ccccc2Cl)n(C)c(=O)n3C)cc1 ZINC000045940951 557549296 /nfs/dbraw/zinc/54/92/96/557549296.db2.gz WOJNQTLCSMRLFL-UHFFFAOYSA-N 0 0 437.952 5.242 50 0 IKAARN CCn1c2cc(NC(=O)c3ccc(F)cc3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940832 557549329 /nfs/dbraw/zinc/54/93/29/557549329.db2.gz QCIOYBNWPLASHZ-UHFFFAOYSA-N 0 0 435.524 5.385 50 0 IKAARN CCn1c2cc(NC(=O)c3ccccc3C)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940824 557549335 /nfs/dbraw/zinc/54/93/35/557549335.db2.gz RMIVXYMFZRGNJZ-UHFFFAOYSA-N 0 0 431.561 5.555 50 0 IKAARN CCc1ccc(Cn2c3nnc(SCc4cccc(C)c4)n3c3ccsc3c2=O)cc1 ZINC000045924587 557549480 /nfs/dbraw/zinc/54/94/80/557549480.db2.gz VZIJZHLCTDPLAY-UHFFFAOYSA-N 0 0 446.601 5.317 50 0 IKAARN C=Cc1ccc(CSc2nnc3n2c2ccsc2c(=O)n3Cc2cccs2)cc1 ZINC000045924520 557549573 /nfs/dbraw/zinc/54/95/73/557549573.db2.gz IABIPPWDWIGQAA-UHFFFAOYSA-N 0 0 436.587 5.151 50 0 IKAARN CC(C)(C)c1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000045932952 557550583 /nfs/dbraw/zinc/55/05/83/557550583.db2.gz JKLLHFPDALJKBM-UHFFFAOYSA-N 0 0 436.596 6.446 50 0 IKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCC3)cc1C ZINC000045933074 557550595 /nfs/dbraw/zinc/55/05/95/557550595.db2.gz TZZGGOKBHUIBMC-UHFFFAOYSA-N 0 0 432.633 6.534 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2Br)cc1 ZINC000045941342 557551072 /nfs/dbraw/zinc/55/10/72/557551072.db2.gz WBTKPSQCMZGYTO-JOCHJYFZSA-N 0 0 434.333 5.810 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941503 557551101 /nfs/dbraw/zinc/55/11/01/557551101.db2.gz WYCNGIMLUPCNIQ-AREMUKBSSA-N 0 0 443.543 5.880 50 0 IKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccccc2Br)C1c1ccccc1 ZINC000045941725 557551306 /nfs/dbraw/zinc/55/13/06/557551306.db2.gz WQWVXMXTPXYOJW-OAQYLSRUSA-N 0 0 438.296 5.641 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000045941577 557551331 /nfs/dbraw/zinc/55/13/31/557551331.db2.gz XWDRVWCXBPSYNP-QHCPKHFHSA-N 0 0 448.360 6.119 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941652 557551341 /nfs/dbraw/zinc/55/13/41/557551341.db2.gz DUUGSLVZOURRKD-SANMLTNESA-N 0 0 443.543 5.880 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000045941831 557551438 /nfs/dbraw/zinc/55/14/38/557551438.db2.gz GJIRCKKBJBBHDH-VWLOTQADSA-N 0 0 447.506 5.247 50 0 IKAARN CCc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000045941871 557551525 /nfs/dbraw/zinc/55/15/25/557551525.db2.gz KRPDHIYUKHVZEX-AREMUKBSSA-N 0 0 443.543 5.362 50 0 IKAARN COC(=O)c1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000045941952 557551541 /nfs/dbraw/zinc/55/15/41/557551541.db2.gz PZWYRVGHVXGAQH-XMMPIXPASA-N 0 0 427.500 5.143 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942277 557551911 /nfs/dbraw/zinc/55/19/11/557551911.db2.gz ULSLLNDEMGPZHP-RUZDIDTESA-N 0 0 447.962 6.525 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2Br)cc1 ZINC000045942468 557551921 /nfs/dbraw/zinc/55/19/21/557551921.db2.gz VEZLVTVVFOKTAE-JOCHJYFZSA-N 0 0 434.333 6.123 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942279 557551966 /nfs/dbraw/zinc/55/19/66/557551966.db2.gz ULSLLNDEMGPZHP-VWLOTQADSA-N 0 0 447.962 6.525 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942618 557551977 /nfs/dbraw/zinc/55/19/77/557551977.db2.gz SGWQRPHIJDKOPK-QHCPKHFHSA-N 0 0 435.426 5.055 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)cc1F ZINC000045943203 557552169 /nfs/dbraw/zinc/55/21/69/557552169.db2.gz SUVOXPYBMSKDFK-UHFFFAOYSA-N 0 0 425.254 5.113 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1cc(F)ccc1F ZINC000045943221 557552309 /nfs/dbraw/zinc/55/23/09/557552309.db2.gz LXLSYYGHUCCCHD-UHFFFAOYSA-N 0 0 425.254 5.113 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943214 557552365 /nfs/dbraw/zinc/55/23/65/557552365.db2.gz FRKWLODFOSGWJC-UHFFFAOYSA-N 0 0 433.327 5.152 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 ZINC000045943392 557552375 /nfs/dbraw/zinc/55/23/75/557552375.db2.gz ASNJTDRZHHBAPR-UHFFFAOYSA-N 0 0 431.355 5.706 50 0 IKAARN CSc1cccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1 ZINC000045943229 557552393 /nfs/dbraw/zinc/55/23/93/557552393.db2.gz SJLNPRXVSNBIEL-UHFFFAOYSA-N 0 0 435.368 5.557 50 0 IKAARN O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(F)c(F)c1 ZINC000045943369 557552405 /nfs/dbraw/zinc/55/24/05/557552405.db2.gz BTFXQRFUXXGLRZ-UHFFFAOYSA-N 0 0 425.254 5.113 50 0 IKAARN CCc1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2cccc(Br)c2)o1 ZINC000045943411 557552605 /nfs/dbraw/zinc/55/26/05/557552605.db2.gz LXCLECZWXZOAIJ-ZDUSSCGKSA-N 0 0 431.355 5.786 50 0 IKAARN O=C(NCCCc1ccco1)c1sc2c(cnc3c(F)cccc23)c1-c1ccccc1 ZINC000045943727 557552635 /nfs/dbraw/zinc/55/26/35/557552635.db2.gz HKQRLGJEFILKFF-UHFFFAOYSA-N 0 0 430.504 6.211 50 0 IKAARN O=C(NCCC1=CCCCC1)c1sc2c(cnc3ccc(F)cc23)c1-c1ccccc1 ZINC000045943906 557552645 /nfs/dbraw/zinc/55/26/45/557552645.db2.gz RITMJIJALLSDEJ-UHFFFAOYSA-N 0 0 430.548 6.876 50 0 IKAARN Cc1ccccc1C(=O)Nc1nc(-c2cccc(NC(=O)c3ccccc3C)c2)cs1 ZINC000045977398 557557013 /nfs/dbraw/zinc/55/70/13/557557013.db2.gz ZZJPIDOQBAEKKH-UHFFFAOYSA-N 0 0 427.529 5.932 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000045961953 557557036 /nfs/dbraw/zinc/55/70/36/557557036.db2.gz ARTGCUQTTVLZBE-UHFFFAOYSA-N 0 0 448.544 5.131 50 0 IKAARN Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCOCC2)cc1 ZINC000038546202 557591092 /nfs/dbraw/zinc/59/10/92/557591092.db2.gz ORKGXXVFPNQIEK-QHCPKHFHSA-N 0 0 436.577 5.202 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccsc2)c1C ZINC000038548176 557592251 /nfs/dbraw/zinc/59/22/51/557592251.db2.gz ASEBGTFBOQFLTE-IBGZPJMESA-N 0 0 438.578 5.880 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000038700031 557596790 /nfs/dbraw/zinc/59/67/90/557596790.db2.gz VFTBTEBOBHDESF-UHFFFAOYSA-N 0 0 448.522 6.324 50 0 IKAARN Cn1c2ccccc2c2cc(C(=O)N3CCC(c4ccnc(-c5ccccc5)n4)CC3)ccc21 ZINC000014981104 557606231 /nfs/dbraw/zinc/60/62/31/557606231.db2.gz UKUMXKSUIWMTQY-UHFFFAOYSA-N 0 0 446.554 5.808 50 0 IKAARN Cc1ccc(Cn2c(C(=O)NCc3ccncc3)cc3scc(Br)c32)cc1 ZINC000040412448 557717605 /nfs/dbraw/zinc/71/76/05/557717605.db2.gz NISGDSDMDALOTD-UHFFFAOYSA-N 0 0 440.366 5.147 50 0 IKAARN Clc1ccc(Cl)c(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c1 ZINC000225498290 557730601 /nfs/dbraw/zinc/73/06/01/557730601.db2.gz IFWBXSMZPYODOJ-UHFFFAOYSA-N 0 0 445.147 7.110 50 0 IKAARN CCCO[C@@H]1CCCN(C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)CC1 ZINC000225553360 557741181 /nfs/dbraw/zinc/74/11/81/557741181.db2.gz QMNZFUWBRJFKRO-MRXNPFEDSA-N 0 0 431.989 5.470 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000040485317 557756443 /nfs/dbraw/zinc/75/64/43/557756443.db2.gz NGDFOJVPISAAEY-JOCHJYFZSA-N 0 0 434.333 5.810 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000040485973 557756622 /nfs/dbraw/zinc/75/66/22/557756622.db2.gz RKOPATAWJSSRJR-FQEVSTJZSA-N 0 0 440.293 5.104 50 0 IKAARN CCn1c(SCc2cc(OC)ccc2Br)nnc1-c1ccccc1OC ZINC000225794278 557778545 /nfs/dbraw/zinc/77/85/45/557778545.db2.gz HGOSTMWQXUXTMW-UHFFFAOYSA-N 0 0 434.359 5.037 50 0 IKAARN FC(F)(F)c1ccc2sc(N3CCOC[C@@H]3c3nc(-c4cccs4)no3)nc2c1 ZINC000225813670 557780179 /nfs/dbraw/zinc/78/01/79/557780179.db2.gz NEBAVBYZUOJWFI-GFCCVEGCSA-N 0 0 438.456 5.005 50 0 IKAARN Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000225836299 557783361 /nfs/dbraw/zinc/78/33/61/557783361.db2.gz CNRRHOQANHAERW-GDLZYMKVSA-N 0 0 446.554 5.937 50 0 IKAARN CN(CCO)CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000225849112 557784837 /nfs/dbraw/zinc/78/48/37/557784837.db2.gz CGFXAJLZIWHQSP-UHFFFAOYSA-N 0 0 445.950 5.085 50 0 IKAARN Cc1ccc([C@@H]2CC(c3cccc(N(C)C)c3)=NN2C(=S)NCc2ccccc2)cc1 ZINC000225848527 557784898 /nfs/dbraw/zinc/78/48/98/557784898.db2.gz LJEDBKXYXMKNGU-VWLOTQADSA-N 0 0 428.605 5.287 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000000842365 557797525 /nfs/dbraw/zinc/79/75/25/557797525.db2.gz UFFHDFMJONUQGP-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)c4ccccc4)c3N2)c1 ZINC000226709652 557808109 /nfs/dbraw/zinc/80/81/09/557808109.db2.gz LQVVRETYJPAIQE-GKCIPKSASA-N 0 0 444.457 5.043 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000000847191 557829340 /nfs/dbraw/zinc/82/93/40/557829340.db2.gz LLWSYKVNWIKUOD-UHFFFAOYSA-N 0 0 428.875 6.969 50 0 IKAARN O=C(c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl)N1CCCCCC1 ZINC000000848585 557829570 /nfs/dbraw/zinc/82/95/70/557829570.db2.gz ZGEGNHQJJUCOBV-UHFFFAOYSA-N 0 0 440.828 5.224 50 0 IKAARN O[C@@H](COc1ccccc1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000850533 557830599 /nfs/dbraw/zinc/83/05/99/557830599.db2.gz XBHJIMQNBYEHJC-QDPGVEIFSA-N 0 0 444.619 5.822 50 0 IKAARN O=C(NCc1ccco1)/C(=C\c1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1 ZINC000000852058 557830999 /nfs/dbraw/zinc/83/09/99/557830999.db2.gz ZIBZWWHXOOHWQM-PXLXIMEGSA-N 0 0 446.890 5.280 50 0 IKAARN O=C(c1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1)N1CCCCC1 ZINC000000851854 557831009 /nfs/dbraw/zinc/83/10/09/557831009.db2.gz GLJMKJAWZSQYKN-UHFFFAOYSA-N 0 0 442.950 6.320 50 0 IKAARN Cc1cccc(NC(=S)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)c1 ZINC000229603012 557832826 /nfs/dbraw/zinc/83/28/26/557832826.db2.gz ZPKXLQBCQBJDQU-MYKRZTLLSA-N 0 0 434.693 7.115 50 0 IKAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n(C2CCCC2)c1C ZINC000018532813 557833916 /nfs/dbraw/zinc/83/39/16/557833916.db2.gz ZUOQNSNCGKNFTD-AWEZNQCLSA-N 0 0 425.570 6.049 50 0 IKAARN Cc1cccc(C)c1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000229988930 557834843 /nfs/dbraw/zinc/83/48/43/557834843.db2.gz DNRSHPPENRRNNQ-MDNUFGMLSA-N 0 0 432.907 5.008 50 0 IKAARN CCn1c(=S)n(CN2CCC[C@@H]3CCCC[C@H]32)nc1-c1ccc(Cl)cc1Cl ZINC000229995416 557835037 /nfs/dbraw/zinc/83/50/37/557835037.db2.gz MFSZHPBSVAXFFC-KBXCAEBGSA-N 0 0 425.429 6.020 50 0 IKAARN CCn1c(=S)n(CN2CCC[C@H]3CCCC[C@H]32)nc1-c1ccc(Cl)cc1Cl ZINC000229995421 557835125 /nfs/dbraw/zinc/83/51/25/557835125.db2.gz MFSZHPBSVAXFFC-RDTXWAMCSA-N 0 0 425.429 6.020 50 0 IKAARN O=c1nc(Nc2ccc(Cl)c(Cl)c2)nc2n1CCN2c1ccc(Cl)c(Cl)c1 ZINC000000862673 557836016 /nfs/dbraw/zinc/83/60/16/557836016.db2.gz KYZUVVMKWGBYRV-UHFFFAOYSA-N 0 0 443.121 5.147 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1C ZINC000000863710 557836551 /nfs/dbraw/zinc/83/65/51/557836551.db2.gz JISWJEQJCPXMTB-UHFFFAOYSA-N 0 0 428.561 5.206 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1Cl)O2 ZINC000013769225 557836555 /nfs/dbraw/zinc/83/65/55/557836555.db2.gz DGMWSJJKDLUBRZ-AUSIDOKSSA-N 0 0 439.298 5.964 50 0 IKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@H]2[C@H]1c1cccs1 ZINC000013881941 557836628 /nfs/dbraw/zinc/83/66/28/557836628.db2.gz VEDPLASXZAZMKR-GOEPJCKKSA-N 0 0 439.631 6.257 50 0 IKAARN CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 ZINC000000865630 557839551 /nfs/dbraw/zinc/83/95/51/557839551.db2.gz YCRMEZZFHQVJSC-IRXDYDNUSA-N 0 0 448.876 6.012 50 0 IKAARN O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1ccc(Cl)cc1 ZINC000000866336 557839692 /nfs/dbraw/zinc/83/96/92/557839692.db2.gz QYMDUEPPSYWAQJ-UHFFFAOYSA-N 0 0 438.774 5.483 50 0 IKAARN CSc1ccccc1NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000866519 557839775 /nfs/dbraw/zinc/83/97/75/557839775.db2.gz ZSMHPDNWGIDING-CJNGLKHVSA-N 0 0 438.500 5.579 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3N2)cc1 ZINC000000867065 557839925 /nfs/dbraw/zinc/83/99/25/557839925.db2.gz JMBKGCIXLDMDLN-CABCVRRESA-N 0 0 426.870 5.131 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000866942 557839937 /nfs/dbraw/zinc/83/99/37/557839937.db2.gz FPNJXFNVJLHURZ-YPMHNXCESA-N 0 0 446.763 5.320 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000000868712 557840113 /nfs/dbraw/zinc/84/01/13/557840113.db2.gz FBZGNIPXULDFQQ-UHFFFAOYSA-N 0 0 434.952 5.627 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)c2cccs2)cc1 ZINC000000868804 557840129 /nfs/dbraw/zinc/84/01/29/557840129.db2.gz QYLLRSKJBDFVEQ-FQEVSTJZSA-N 0 0 449.391 5.607 50 0 IKAARN Cc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)c1 ZINC000000877647 557848428 /nfs/dbraw/zinc/84/84/28/557848428.db2.gz BTQHAKARHAZQDM-LJQANCHMSA-N 0 0 443.576 5.307 50 0 IKAARN CCOc1cc(-c2ccc(N(C)C)cc2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000005796591 557848679 /nfs/dbraw/zinc/84/86/79/557848679.db2.gz LDJZBLXQFWSTEP-XLVZBRSZSA-N 0 0 426.560 6.722 50 0 biogenic IKAARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000034695585 557849141 /nfs/dbraw/zinc/84/91/41/557849141.db2.gz BUVSDIYNBIMCGS-UHFFFAOYSA-N 0 0 444.433 5.994 50 0 IKAARN COc1cc(C(=S)N2CCCCC2)cc(OC)c1OC(=O)c1cccc2ccccc21 ZINC000000885697 557855569 /nfs/dbraw/zinc/85/55/69/557855569.db2.gz JOOPRLJPFZZNKH-UHFFFAOYSA-N 0 0 435.545 5.238 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1cccc(Br)c1 ZINC000000888125 557856694 /nfs/dbraw/zinc/85/66/94/557856694.db2.gz KATXERWLFPQBHD-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000888248 557856835 /nfs/dbraw/zinc/85/68/35/557856835.db2.gz WSUBULOXXQDESZ-UHFFFAOYSA-N 0 0 442.588 5.514 50 0 IKAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000000892446 557860484 /nfs/dbraw/zinc/86/04/84/557860484.db2.gz IXUUBEIPAPZCJB-UHFFFAOYSA-N 0 0 447.539 5.058 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc2ccccc2c1 ZINC000018832905 557862169 /nfs/dbraw/zinc/86/21/69/557862169.db2.gz GODJBDUSICRVNU-UHFFFAOYSA-N 0 0 435.911 5.361 50 0 IKAARN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C ZINC000009224256 560211197 /nfs/dbraw/zinc/21/11/97/560211197.db2.gz VKHAHZOOUSRJNA-IQHLRJQLSA-N 0 0 429.604 5.407 50 0 biogenic,in-vitro IKAARN O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1cccc(C(F)(F)F)c1 ZINC000000937472 562919671 /nfs/dbraw/zinc/91/96/71/562919671.db2.gz FFAOMOPVKINECV-UHFFFAOYSA-N 0 0 434.468 5.207 50 0 IKAARN CCc1ccccc1NC(=O)COc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 ZINC000000955678 562919834 /nfs/dbraw/zinc/91/98/34/562919834.db2.gz MUWWXLXICPSZEO-UHFFFAOYSA-N 0 0 429.472 5.049 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1C ZINC000001057903 562920208 /nfs/dbraw/zinc/92/02/08/562920208.db2.gz PXVVFJKQJLSRKM-XMMPIXPASA-N 0 0 427.504 5.123 50 0 biogenic IKAARN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000001247967 562921071 /nfs/dbraw/zinc/92/10/71/562921071.db2.gz BWBYBPXYBIMDLT-DHDCSXOGSA-N 0 0 440.830 5.034 50 0 IKAARN CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000001295962 562921127 /nfs/dbraw/zinc/92/11/27/562921127.db2.gz KGKFCPHSLHZTNV-UHFFFAOYSA-N 0 0 442.009 6.409 50 0 IKAARN O=S(=O)(Nc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001382326 562921483 /nfs/dbraw/zinc/92/14/83/562921483.db2.gz BIDHLDZOWYWTMV-UHFFFAOYSA-N 0 0 428.819 5.347 50 0 IKAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(F)cc2)n1 ZINC000001383657 562921489 /nfs/dbraw/zinc/92/14/89/562921489.db2.gz SWYBCDWOHYZYQB-MRXNPFEDSA-N 0 0 440.471 5.205 50 0 IKAARN Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccccc2)o1 ZINC000001387907 562921576 /nfs/dbraw/zinc/92/15/76/562921576.db2.gz NFBWJXWVFFKFLY-UHFFFAOYSA-N 0 0 428.275 5.192 50 0 aggregator IKAARN Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Sc1ccc(Cl)cc1 ZINC000001385347 562921600 /nfs/dbraw/zinc/92/16/00/562921600.db2.gz QYUJTLGLLFDXKT-UHFFFAOYSA-N 0 0 447.816 5.774 50 0 IKAARN Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1 ZINC000001392257 562921664 /nfs/dbraw/zinc/92/16/64/562921664.db2.gz HWFDRXOBISZWAO-UHFFFAOYSA-N 0 0 425.362 5.217 50 0 aggregator IKAARN Cc1ccc(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)cc2)cc1 ZINC000001400383 562921697 /nfs/dbraw/zinc/92/16/97/562921697.db2.gz GMJYCZAISZWUBW-UHFFFAOYSA-N 0 0 431.966 5.455 50 0 IKAARN O=C(CSc1c(Cl)cccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001403824 562921698 /nfs/dbraw/zinc/92/16/98/562921698.db2.gz BSOSVYMOHPSHSB-UHFFFAOYSA-N 0 0 437.417 6.101 50 0 IKAARN O=C(CSc1cccc[n+]1[O-])c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001398073 562921704 /nfs/dbraw/zinc/92/17/04/562921704.db2.gz OZEDXXPZHCXWPI-UHFFFAOYSA-N 0 0 444.887 5.015 50 0 IKAARN O=C(Nc1ccccc1SC[C@@H]1CSc2nc3ccccc3c(=O)n21)c1ccccc1 ZINC000001406127 562921782 /nfs/dbraw/zinc/92/17/82/562921782.db2.gz ZTPUEBJUZXYSKB-QGZVFWFLSA-N 0 0 445.569 5.088 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1 ZINC000001430070 562921917 /nfs/dbraw/zinc/92/19/17/562921917.db2.gz YRGWUMBRZPBXMH-UHFFFAOYSA-N 0 0 437.421 5.819 50 0 aggregator IKAARN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@H](Cc2ccc3ccccc3c2)C1=O ZINC000001491555 562922270 /nfs/dbraw/zinc/92/22/70/562922270.db2.gz HIJCSNHREFFOML-XMMPIXPASA-N 0 0 440.930 5.624 50 0 IKAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000001769206 562924547 /nfs/dbraw/zinc/92/45/47/562924547.db2.gz IAYQGJKZPQCMNF-UHFFFAOYSA-N 0 0 446.934 6.696 50 0 IKAARN COc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001770949 562924615 /nfs/dbraw/zinc/92/46/15/562924615.db2.gz CXWSDJKCOKMFBL-UHFFFAOYSA-N 0 0 434.923 5.585 50 0 IKAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000001774757 562924659 /nfs/dbraw/zinc/92/46/59/562924659.db2.gz SSVOUGHLAICJSM-UHFFFAOYSA-N 0 0 426.516 6.351 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000001807494 562924725 /nfs/dbraw/zinc/92/47/25/562924725.db2.gz KCUWXGFFJXXFKX-UHFFFAOYSA-N 0 0 448.613 5.935 50 0 IKAARN CCOc1ccccc1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001817075 562924732 /nfs/dbraw/zinc/92/47/32/562924732.db2.gz WJHVINBDXKDFCK-UHFFFAOYSA-N 0 0 448.950 5.975 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2cccc(C)c2C)c1 ZINC000002232852 562926466 /nfs/dbraw/zinc/92/64/66/562926466.db2.gz YUTLANBDBUVLAO-SANMLTNESA-N 0 0 430.548 5.868 50 0 IKAARN CCCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002239494 562926577 /nfs/dbraw/zinc/92/65/77/562926577.db2.gz FEQMYOMHLQJLFE-UHFFFAOYSA-N 0 0 430.617 6.023 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000002271499 562926726 /nfs/dbraw/zinc/92/67/26/562926726.db2.gz VNSABKIQAYJNIJ-UHFFFAOYSA-N 0 0 428.623 6.007 50 0 IKAARN O=C1[C@H]2C(c3ccccc3)(c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000002312704 562926912 /nfs/dbraw/zinc/92/69/12/562926912.db2.gz AEVLUTIKJJHCAL-ABYGYWHVSA-N 0 0 449.937 5.767 50 0 IKAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc2ccccc2c1 ZINC000002359086 562927117 /nfs/dbraw/zinc/92/71/17/562927117.db2.gz NVHCJNOULMMCIK-UHFFFAOYSA-N 0 0 426.501 5.110 50 0 IKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](Nc1ccccc1)c1cccnc1 ZINC000002399318 562927370 /nfs/dbraw/zinc/92/73/70/562927370.db2.gz DGWMUNHYXKZTKF-DEOSSOPVSA-N 0 0 428.513 7.084 50 0 IKAARN Cc1cc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)ccc1Br ZINC000002467898 562928115 /nfs/dbraw/zinc/92/81/15/562928115.db2.gz NVRHTHNEOWSTIU-UHFFFAOYSA-N 0 0 442.338 5.102 50 0 IKAARN CC(C)(C)Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(N)c2)c(CC(C)(C)C)c1 ZINC000002495501 562928168 /nfs/dbraw/zinc/92/81/68/562928168.db2.gz DYQIMMPZYSUWKT-UHFFFAOYSA-N 0 0 445.047 6.897 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)Nc1c(F)cccc1F ZINC000002617098 562928450 /nfs/dbraw/zinc/92/84/50/562928450.db2.gz ZBSORPZFXMSRIU-UHFFFAOYSA-N 0 0 425.435 5.445 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2cccs2)o1)c1ccccc1 ZINC000002621528 562928560 /nfs/dbraw/zinc/92/85/60/562928560.db2.gz ZHPXFSJEEHNCJV-IBGZPJMESA-N 0 0 437.546 5.587 50 0 aggregator IKAARN COC(=O)c1ccccc1NC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 ZINC000002632640 562928847 /nfs/dbraw/zinc/92/88/47/562928847.db2.gz ZPCAEEJXXHJCJR-UHFFFAOYSA-N 0 0 442.540 5.753 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)oc1ccccc12 ZINC000002640682 562929038 /nfs/dbraw/zinc/92/90/38/562929038.db2.gz SAPMRIJLGBJLJJ-CQSZACIVSA-N 0 0 434.517 5.672 50 0 IKAARN COc1cc2c(cc1OC)n(Cc1ccc(Cl)cc1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000002691217 562929774 /nfs/dbraw/zinc/92/97/74/562929774.db2.gz JBFNUSCXVAYSLA-UHFFFAOYSA-N 0 0 447.918 5.260 50 0 IKAARN COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 ZINC000002691393 562929849 /nfs/dbraw/zinc/92/98/49/562929849.db2.gz VPTOLNYVANDUEP-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721800 562929945 /nfs/dbraw/zinc/92/99/45/562929945.db2.gz IVGITQGMQSFNBI-UHFFFAOYSA-N 0 0 430.370 5.110 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2-c2ccccc2)c1 ZINC000002713429 562929959 /nfs/dbraw/zinc/92/99/59/562929959.db2.gz HZIRGSWUXCKODF-UHFFFAOYSA-N 0 0 441.512 5.171 50 0 aggregator IKAARN O=S(=O)(c1nc(-c2ccco2)oc1SCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000002721857 562930029 /nfs/dbraw/zinc/93/00/29/562930029.db2.gz HMQKHGHCACYDGB-UHFFFAOYSA-N 0 0 449.912 5.852 50 0 aggregator IKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(NCCc2ccccc2)n1 ZINC000002941486 562930954 /nfs/dbraw/zinc/93/09/54/562930954.db2.gz QJJSXDJTCPRHFU-UHFFFAOYSA-N 0 0 443.572 5.788 50 0 IKAARN CCc1ccc(Sc2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1 ZINC000002941413 562930964 /nfs/dbraw/zinc/93/09/64/562930964.db2.gz TXTCBZPRWVWPGS-UHFFFAOYSA-N 0 0 428.557 5.887 50 0 IKAARN COc1cc(Nc2nc(SCc3cccc(Cl)c3)nc3ccccc32)cc(OC)c1 ZINC000002949069 562931118 /nfs/dbraw/zinc/93/11/18/562931118.db2.gz QNBPLKQJJDSAKN-UHFFFAOYSA-N 0 0 437.952 6.336 50 0 IKAARN CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O ZINC000002962084 562931252 /nfs/dbraw/zinc/93/12/52/562931252.db2.gz XGCPGOVWWUIDGF-UHFFFAOYSA-N 0 0 441.553 5.281 50 0 IKAARN Cc1ccccc1CN1c2cc(C(=O)NC3CCCC3)ccc2Sc2ccccc2C1=O ZINC000002964960 562931300 /nfs/dbraw/zinc/93/13/00/562931300.db2.gz GZBWHVRXTBZBJK-UHFFFAOYSA-N 0 0 442.584 5.979 50 0 IKAARN CCc1ccc(-n2c3[nH]c(=S)n(-c4ccccc4OC)c(=O)c3sc2=S)cc1 ZINC000003027016 562931839 /nfs/dbraw/zinc/93/18/39/562931839.db2.gz WBODUHKIEQZBHR-UHFFFAOYSA-N 0 0 427.576 5.201 50 0 IKAARN O=C(CSc1ncnc2c3ccccc3sc21)Nc1ccc(Br)cc1 ZINC000003032998 562931869 /nfs/dbraw/zinc/93/18/69/562931869.db2.gz JIWHLFOHVFBBLC-UHFFFAOYSA-N 0 0 430.352 5.338 50 0 aggregator IKAARN CCCCNC(=O)[C@@H](CC)Sc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000003033859 562931975 /nfs/dbraw/zinc/93/19/75/562931975.db2.gz LXTMOTFDGPSMPW-OAQYLSRUSA-N 0 0 434.609 5.609 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(F)cc2)N1CCc1ccc(Cl)cc1 ZINC000003038940 562932032 /nfs/dbraw/zinc/93/20/32/562932032.db2.gz DXDGJLDGKYRCIQ-XMMPIXPASA-N 0 0 442.962 5.157 50 0 IKAARN O=c1c(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cccn1Cc1ccccc1 ZINC000003041830 562932125 /nfs/dbraw/zinc/93/21/25/562932125.db2.gz ZMBWTJAFAWUOTG-UHFFFAOYSA-N 0 0 444.343 5.546 50 0 IKAARN Cc1cccc(CN2c3cc(C(=O)N4CCCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000003040747 562932127 /nfs/dbraw/zinc/93/21/27/562932127.db2.gz OGLZRKXNOHXCIH-UHFFFAOYSA-N 0 0 428.557 5.543 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(Br)c1 ZINC000003043221 562932140 /nfs/dbraw/zinc/93/21/40/562932140.db2.gz DUGNFQIWFBNZIK-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN Cc1ccc(CN2c3cc(C(=O)NC4CCCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040192 562932144 /nfs/dbraw/zinc/93/21/44/562932144.db2.gz JPEMGFSFNLZQBN-UHFFFAOYSA-N 0 0 442.584 5.979 50 0 IKAARN CC(=O)Nc1cc(C(=O)NCc2ccccc2Cl)ccc1Sc1ccc(F)cc1 ZINC000003048857 562932263 /nfs/dbraw/zinc/93/22/63/562932263.db2.gz ARTZBTAJGMXQLR-UHFFFAOYSA-N 0 0 428.916 5.519 50 0 IKAARN O=C(c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2)N1CCCC1 ZINC000003049695 562932282 /nfs/dbraw/zinc/93/22/82/562932282.db2.gz GTBGLDXPWVXUHK-UHFFFAOYSA-N 0 0 448.975 5.888 50 0 IKAARN COc1ccccc1Nc1cc(C(=O)NCCCN(C)c2ccccc2)c2ccccc2n1 ZINC000003053831 562932361 /nfs/dbraw/zinc/93/23/61/562932361.db2.gz RMCWUXILCNHMDL-UHFFFAOYSA-N 0 0 440.547 5.243 50 0 aggregator IKAARN Cc1c(OCc2ccc(Cl)cc2)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003128578 562932480 /nfs/dbraw/zinc/93/24/80/562932480.db2.gz PHMCLFCKQHCPPX-UHFFFAOYSA-N 0 0 429.225 5.446 50 0 IKAARN COc1cc2c(cc1NC(=O)COc1ccc(Br)cc1)oc1ccccc12 ZINC000003200075 562932704 /nfs/dbraw/zinc/93/27/04/562932704.db2.gz LLKMHAUHEUWQOA-UHFFFAOYSA-N 0 0 426.266 5.375 50 0 IKAARN COc1ccccc1NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000003204327 562932760 /nfs/dbraw/zinc/93/27/60/562932760.db2.gz JWDKDEOZWRNCJP-UHFFFAOYSA-N 0 0 444.487 5.189 50 0 IKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000003209333 562932836 /nfs/dbraw/zinc/93/28/36/562932836.db2.gz YAWNPELIPAAOMT-UHFFFAOYSA-N 0 0 443.374 8.117 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000003221855 562933015 /nfs/dbraw/zinc/93/30/15/562933015.db2.gz OIRIKUVCVWIMNW-SFHVURJKSA-N 0 0 438.858 5.464 50 0 IKAARN COc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1 ZINC000003229991 562933132 /nfs/dbraw/zinc/93/31/32/562933132.db2.gz DAMBPGKRCOYKNE-UHFFFAOYSA-N 0 0 425.513 5.552 50 0 IKAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 ZINC000003247181 562933243 /nfs/dbraw/zinc/93/32/43/562933243.db2.gz IFBNEYMZMDBHGO-YJZSVRAESA-N 0 0 428.532 5.403 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccc(F)cc1 ZINC000003277764 562933605 /nfs/dbraw/zinc/93/36/05/562933605.db2.gz IWAKNHOQEDEBPZ-VWLOTQADSA-N 0 0 429.520 5.453 50 0 IKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccc(F)cc1 ZINC000003277765 562933615 /nfs/dbraw/zinc/93/36/15/562933615.db2.gz IWAKNHOQEDEBPZ-RUZDIDTESA-N 0 0 429.520 5.453 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000003327830 562934285 /nfs/dbraw/zinc/93/42/85/562934285.db2.gz RZBNBYKQVVMESC-UHFFFAOYSA-N 0 0 434.417 6.363 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000003348904 562934598 /nfs/dbraw/zinc/93/45/98/562934598.db2.gz BWEJXHTYTJOPNA-INIZCTEOSA-N 0 0 434.492 5.149 50 0 IKAARN Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1 ZINC000003355116 562934678 /nfs/dbraw/zinc/93/46/78/562934678.db2.gz YZWXHVYNBCDIJR-HXUWFJFHSA-N 0 0 447.840 6.204 50 0 IKAARN COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000003393899 562935223 /nfs/dbraw/zinc/93/52/23/562935223.db2.gz NYWCYIKKNRHPMO-HAVVHWLPSA-N 0 0 429.516 5.541 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1cccs1 ZINC000003408606 562935251 /nfs/dbraw/zinc/93/52/51/562935251.db2.gz UPGZKFYFMMWAAW-UHFFFAOYSA-N 0 0 427.526 5.379 50 0 IKAARN CC(=O)Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1Sc1ccc(Cl)cc1 ZINC000003587441 562936570 /nfs/dbraw/zinc/93/65/70/562936570.db2.gz AZCZUJXXZVCYCZ-UHFFFAOYSA-N 0 0 436.964 5.648 50 0 IKAARN C[C@@H]1Cc2ccc(F)cc2CN1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000003638792 562937153 /nfs/dbraw/zinc/93/71/53/562937153.db2.gz YSFRODNDLBFHLB-CQSZACIVSA-N 0 0 444.300 5.347 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000003643662 562937298 /nfs/dbraw/zinc/93/72/98/562937298.db2.gz PVDKVADTGCHNJX-LJQANCHMSA-N 0 0 431.517 5.000 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000003655620 562937442 /nfs/dbraw/zinc/93/74/42/562937442.db2.gz NIAXBORQNYHZMX-UHFFFAOYSA-N 0 0 427.500 6.113 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@H](C)C(=O)OC)cc1 ZINC000003658786 562937498 /nfs/dbraw/zinc/93/74/98/562937498.db2.gz GYXWYSAECWSSDC-MRXNPFEDSA-N 0 0 433.533 5.140 50 0 IKAARN FC(F)(Cl)Oc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000003672570 562937635 /nfs/dbraw/zinc/93/76/35/562937635.db2.gz YQYCWIJBIAEYFN-UHFFFAOYSA-N 0 0 432.257 6.862 50 0 IKAARN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000003831129 562939058 /nfs/dbraw/zinc/93/90/58/562939058.db2.gz VKHAHZOOUSRJNA-VBWGZTFCSA-N 0 0 429.604 5.407 50 0 biogenic,in-man IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000004004075 562940688 /nfs/dbraw/zinc/94/06/88/562940688.db2.gz ANENRXYYYDNRQI-UHFFFAOYSA-N 0 0 429.867 5.265 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)C(=O)NCCNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000004027208 562940837 /nfs/dbraw/zinc/94/08/37/562940837.db2.gz ADXAZTWBWFPYRO-SZPZYZBQSA-N 0 0 436.640 5.223 50 0 biogenic IKAARN COc1cccc(N(C(=O)c2cc[nH]n2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1 ZINC000004036948 562941187 /nfs/dbraw/zinc/94/11/87/562941187.db2.gz RVVNVPIBGYMNNV-UHFFFAOYSA-N 0 0 446.551 5.024 50 0 IKAARN Nc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)sc2nc3c(c(C(F)(F)F)c12)CCC3 ZINC000005943746 562945492 /nfs/dbraw/zinc/94/54/92/562945492.db2.gz ICLQPZAIJRTWQH-UHFFFAOYSA-N 0 0 435.515 5.085 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)cc1 ZINC000006753184 562948295 /nfs/dbraw/zinc/94/82/95/562948295.db2.gz FRHCONGRODCGJI-NRFANRHFSA-N 0 0 425.532 5.312 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 ZINC000006753164 562948325 /nfs/dbraw/zinc/94/83/25/562948325.db2.gz ITMTXGTWRIXYPF-NRFANRHFSA-N 0 0 431.580 5.926 50 0 IKAARN Cc1cc(C)cc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 ZINC000006752563 562948335 /nfs/dbraw/zinc/94/83/35/562948335.db2.gz CGEAMNGKIYTCQN-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 aggregator IKAARN CCc1ccccc1NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000006916054 562948545 /nfs/dbraw/zinc/94/85/45/562948545.db2.gz YFVWPDNXSMPDPP-UHFFFAOYSA-N 0 0 427.548 5.805 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000008583651 562949784 /nfs/dbraw/zinc/94/97/84/562949784.db2.gz FFCAERRTINYSIV-UHFFFAOYSA-N 0 0 438.955 6.021 50 0 IKAARN Cc1cc(C)cc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)c1 ZINC000008583674 562949796 /nfs/dbraw/zinc/94/97/96/562949796.db2.gz YKQZJTFBPNDPJX-HSZRJFAPSA-N 0 0 449.348 5.250 50 0 IKAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1OC ZINC000008587244 562950262 /nfs/dbraw/zinc/95/02/62/562950262.db2.gz FBMLFDSZOCQWNU-QHCPKHFHSA-N 0 0 437.565 5.061 50 0 IKAARN COc1ccc(-c2nc(CN3c4ccccc4C(c4ccccc4)=NCC3=O)c(C)o2)cc1 ZINC000008587588 562950320 /nfs/dbraw/zinc/95/03/20/562950320.db2.gz VGIJMBSVUUXHDI-UHFFFAOYSA-N 0 0 437.499 5.043 50 0 IKAARN CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC5=CCCCC5)cc4sc3n2)cc1 ZINC000008588643 562950739 /nfs/dbraw/zinc/95/07/39/562950739.db2.gz PXDVWPIWVJJBQN-UHFFFAOYSA-N 0 0 445.588 6.235 50 0 IKAARN Cc1c(C(=O)NCc2ccc(C)cc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000008588523 562950744 /nfs/dbraw/zinc/95/07/44/562950744.db2.gz RVPDZUKCRIKXAR-UHFFFAOYSA-N 0 0 445.950 5.490 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NCCCc5ccccc5)cc4sc3n2)cc1 ZINC000008588687 562950818 /nfs/dbraw/zinc/95/08/18/562950818.db2.gz IRGWBLIRPPXVAR-UHFFFAOYSA-N 0 0 441.556 5.587 50 0 biogenic IKAARN COc1cccc(-c2cn3c4ccc(C(=O)NCc5ccccc5F)cc4sc3n2)c1 ZINC000008588766 562950882 /nfs/dbraw/zinc/95/08/82/562950882.db2.gz ZPEJASJHJYCVSG-UHFFFAOYSA-N 0 0 431.492 5.294 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(C)n4c5ccoc5cc34)c(C)o2)cc1OC ZINC000008588879 562950918 /nfs/dbraw/zinc/95/09/18/562950918.db2.gz UCWCXPFTAKMBST-UHFFFAOYSA-N 0 0 436.493 5.057 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]CCc1ccccc1C ZINC000008589017 562950996 /nfs/dbraw/zinc/95/09/96/562950996.db2.gz XMDFKXQRZYRFJQ-UHFFFAOYSA-N 0 0 442.559 5.346 50 0 IKAARN COc1ccc2c(C[NH2+]CCc3cccs3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000008589018 562951006 /nfs/dbraw/zinc/95/10/06/562951006.db2.gz MDBFURJKQVWSPK-UHFFFAOYSA-N 0 0 434.561 5.099 50 0 IKAARN COc1cccc(CNC(=O)CCc2cn(Cc3ccccc3Cl)c3ccccc23)c1 ZINC000008589134 562951098 /nfs/dbraw/zinc/95/10/98/562951098.db2.gz YPIWXPQICUEJEJ-UHFFFAOYSA-N 0 0 432.951 5.601 50 0 aggregator IKAARN CCOc1ccc(CCNC(=O)CCc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000008589165 562951100 /nfs/dbraw/zinc/95/11/00/562951100.db2.gz AUTKSXQQQDOISQ-UHFFFAOYSA-N 0 0 440.587 5.688 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S@](=O)Cc2ccccc2Cl)o1 ZINC000008589236 562951139 /nfs/dbraw/zinc/95/11/39/562951139.db2.gz ATAHQUPOQNXSPJ-NDEPHWFRSA-N 0 0 436.360 5.008 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)c1 ZINC000008589605 562951259 /nfs/dbraw/zinc/95/12/59/562951259.db2.gz FPRBKCGSFIGUSN-UHFFFAOYSA-N 0 0 435.593 5.001 50 0 IKAARN Cc1ccccc1NC(=O)CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000008589732 562951385 /nfs/dbraw/zinc/95/13/85/562951385.db2.gz ORTSNQGYLNTUDS-UHFFFAOYSA-N 0 0 435.593 5.083 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCCCC2)C1 ZINC000008589882 562951418 /nfs/dbraw/zinc/95/14/18/562951418.db2.gz FWSWLWFZKPBCGV-INIZCTEOSA-N 0 0 442.600 5.917 50 0 IKAARN COc1ccccc1NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 ZINC000008590514 562951709 /nfs/dbraw/zinc/95/17/09/562951709.db2.gz ZCZCBOBKHQVJQZ-UHFFFAOYSA-N 0 0 425.513 6.015 50 0 aggregator IKAARN Cc1ccccc1C(=O)Nc1ccc2nc(Nc3cccc(C(F)(F)F)c3)cc(C)c2c1 ZINC000008590559 562951768 /nfs/dbraw/zinc/95/17/68/562951768.db2.gz XVHVWVMUHLBXIA-UHFFFAOYSA-N 0 0 435.449 6.866 50 0 IKAARN O=S(=O)(c1nc(-c2cccs2)oc1SCc1ccccc1Cl)c1ccccc1 ZINC000008591742 562952136 /nfs/dbraw/zinc/95/21/36/562952136.db2.gz PFKYIAUWVLBKJA-UHFFFAOYSA-N 0 0 447.990 6.182 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1ccc(-c2nc(COc3ccccc3)c(C)o2)cc1 ZINC000008592237 562952310 /nfs/dbraw/zinc/95/23/10/562952310.db2.gz WUVNXZDMHNQLRS-UHFFFAOYSA-N 0 0 442.471 5.268 50 0 IKAARN COc1ccc([C@H]2CC(=O)c3cc(-c4nc(-c5ccc(C)cc5)cs4)c(=O)[nH]c3C2)cc1 ZINC000008592477 562952356 /nfs/dbraw/zinc/95/23/56/562952356.db2.gz HXGXEJITPKMGHN-GOSISDBHSA-N 0 0 442.540 5.395 50 0 aggregator IKAARN Cc1ccc(-c2nc(-c3cc4cccc(OCc5ccccc5F)c4oc3=O)no2)cc1 ZINC000008592650 562952396 /nfs/dbraw/zinc/95/23/96/562952396.db2.gz SLYCLDXTYKFVMA-UHFFFAOYSA-N 0 0 428.419 5.537 50 0 IKAARN Cc1sc(-c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)nc1-c1ccc(Cl)cc1 ZINC000008592667 562952416 /nfs/dbraw/zinc/95/24/16/562952416.db2.gz KZGSVGACIURFJC-KRWDZBQOSA-N 0 0 446.959 6.040 50 0 aggregator IKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)nc1CSc1ccccc1 ZINC000008592656 562952419 /nfs/dbraw/zinc/95/24/19/562952419.db2.gz JXCCZHPJVVEUBY-UHFFFAOYSA-N 0 0 448.975 7.156 50 0 aggregator IKAARN COc1ccc(CNC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc1 ZINC000008592725 562952430 /nfs/dbraw/zinc/95/24/30/562952430.db2.gz RXSBAZWAFNGZQU-UHFFFAOYSA-N 0 0 444.556 5.881 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000008592827 562952465 /nfs/dbraw/zinc/95/24/65/562952465.db2.gz PSCTYZHBBOSYPY-YTTGMZPUSA-N 0 0 448.519 5.027 50 0 IKAARN Cc1ccc(C)c(Cn2c3sc4c(c3c(=O)n(-c3ccc(Cl)cc3)c2=O)CCC4)c1 ZINC000008593276 562952646 /nfs/dbraw/zinc/95/26/46/562952646.db2.gz VWJBGCDKKHOONZ-UHFFFAOYSA-N 0 0 436.964 5.021 50 0 IKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1Cl ZINC000008594467 562952988 /nfs/dbraw/zinc/95/29/88/562952988.db2.gz KSFBBHZWFNSIFH-HXUWFJFHSA-N 0 0 444.293 6.393 50 0 aggregator IKAARN Clc1ccccc1-c1nnc(-c2ccccc2CNc2ccc(Br)cc2)o1 ZINC000008594451 562953009 /nfs/dbraw/zinc/95/30/09/562953009.db2.gz IVEDVCMSGXTQAD-UHFFFAOYSA-N 0 0 440.728 6.432 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000008594723 562953054 /nfs/dbraw/zinc/95/30/54/562953054.db2.gz XDXQZOAZROFXHY-UHFFFAOYSA-N 0 0 443.528 5.246 50 0 IKAARN CCOc1ccccc1NC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000008594823 562953128 /nfs/dbraw/zinc/95/31/28/562953128.db2.gz JKMCRAHOEOFPHE-UHFFFAOYSA-N 0 0 429.520 5.259 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000008594916 562953139 /nfs/dbraw/zinc/95/31/39/562953139.db2.gz ZGAROYXHCWYOLZ-UHFFFAOYSA-N 0 0 441.575 6.374 50 0 aggregator IKAARN CCc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)cc1 ZINC000008594965 562953140 /nfs/dbraw/zinc/95/31/40/562953140.db2.gz IRPABUMBRQSCJU-OAQYLSRUSA-N 0 0 435.593 5.002 50 0 IKAARN CCN(CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cccc(C)c1 ZINC000008594902 562953162 /nfs/dbraw/zinc/95/31/62/562953162.db2.gz YFKFUQGNKZYFDV-UHFFFAOYSA-N 0 0 433.577 5.413 50 0 aggregator IKAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]C3CCCCCC3)c2C(=O)[O-])cc1 ZINC000008595226 562953392 /nfs/dbraw/zinc/95/33/92/562953392.db2.gz MWKBNSNASQJDMA-UHFFFAOYSA-N 0 0 436.552 5.217 50 0 IKAARN Cn1cc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCCC2)c2ccccc21 ZINC000008595487 562953495 /nfs/dbraw/zinc/95/34/95/562953495.db2.gz QVAUDMYWJDFFRS-UHFFFAOYSA-N 0 0 430.379 6.852 50 0 IKAARN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 ZINC000008595603 562953562 /nfs/dbraw/zinc/95/35/62/562953562.db2.gz NZALAYHRGNGCSX-DEOSSOPVSA-N 0 0 429.907 5.797 50 0 aggregator IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000008595651 562953627 /nfs/dbraw/zinc/95/36/27/562953627.db2.gz SEOQSQIZWXJFOQ-QHCPKHFHSA-N 0 0 443.528 5.373 50 0 aggregator IKAARN O=C(Cn1cc(SCc2cccc(C(F)(F)F)c2)c2ccccc21)N1CCCCCC1 ZINC000008596097 562953743 /nfs/dbraw/zinc/95/37/43/562953743.db2.gz WWTGLCBIXPBHLM-UHFFFAOYSA-N 0 0 446.538 6.355 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000008596702 562953822 /nfs/dbraw/zinc/95/38/22/562953822.db2.gz RMHKOLQRMBQZDS-UHFFFAOYSA-N 0 0 426.969 5.897 50 0 IKAARN CC(C)NC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008596889 562953921 /nfs/dbraw/zinc/95/39/21/562953921.db2.gz RCMMQBLPESTOLX-UHFFFAOYSA-N 0 0 434.540 5.049 50 0 IKAARN CC(C)c1ccc(NC(=O)C2CCN(c3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 ZINC000008598495 562954306 /nfs/dbraw/zinc/95/43/06/562954306.db2.gz DPAPVNYRLXQNPQ-UHFFFAOYSA-N 0 0 432.568 5.839 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3ccc(Cl)cc3)c2C)c1-c1ccccc1 ZINC000008598711 562954426 /nfs/dbraw/zinc/95/44/26/562954426.db2.gz ZHPOJHYIVRLUBP-UHFFFAOYSA-N 0 0 432.955 5.224 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)NCc3ccc(C)cc3)c12 ZINC000008598804 562954453 /nfs/dbraw/zinc/95/44/53/562954453.db2.gz DXEPAMMHCHQOSR-UHFFFAOYSA-N 0 0 444.966 5.807 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1Cl ZINC000008599220 562954637 /nfs/dbraw/zinc/95/46/37/562954637.db2.gz UHCSADGCCCEVEM-UHFFFAOYSA-N 0 0 431.319 5.690 50 0 IKAARN CCN(CC)c1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000008599700 562954825 /nfs/dbraw/zinc/95/48/25/562954825.db2.gz HDUFHTJUNHJPAA-HHHXNRCGSA-N 0 0 441.550 5.941 50 0 IKAARN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc(Br)ccc1Cl ZINC000008599729 562954859 /nfs/dbraw/zinc/95/48/59/562954859.db2.gz CQKRGTOYFHLGHL-UHFFFAOYSA-N 0 0 427.689 5.065 50 0 IKAARN COc1ccc(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008599713 562954867 /nfs/dbraw/zinc/95/48/67/562954867.db2.gz VUJUCBMZFBSWKJ-MHZLTWQESA-N 0 0 428.507 5.423 50 0 aggregator IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1 ZINC000008600026 562954900 /nfs/dbraw/zinc/95/49/00/562954900.db2.gz VJCAXFILCXDNKA-MHZLTWQESA-N 0 0 426.585 5.997 50 0 aggregator IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1 ZINC000008600177 562954985 /nfs/dbraw/zinc/95/49/85/562954985.db2.gz HCZVKOONTPGQDH-HHHXNRCGSA-N 0 0 442.584 5.833 50 0 IKAARN COc1cccc(-n2cc(C(=O)Oc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)c1 ZINC000008600302 562955053 /nfs/dbraw/zinc/95/50/53/562955053.db2.gz RETUWLUGOVHUCX-UHFFFAOYSA-N 0 0 439.389 5.237 50 0 IKAARN O=C(COc1ccc(Cl)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000008601139 562955195 /nfs/dbraw/zinc/95/51/95/562955195.db2.gz XLZTYVKDXXKBJJ-UHFFFAOYSA-N 0 0 440.874 5.220 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc12 ZINC000008602231 562955819 /nfs/dbraw/zinc/95/58/19/562955819.db2.gz IGNULGUVALIRET-UHFFFAOYSA-N 0 0 440.305 6.985 50 0 IKAARN C[C@@H](NC(=O)c1ccc(N2Cc3ccccc3Oc3ncccc32)s1)c1ccccc1 ZINC000008602781 562955869 /nfs/dbraw/zinc/95/58/69/562955869.db2.gz DQXSWQKNKYHFJN-QGZVFWFLSA-N 0 0 427.529 6.078 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1 ZINC000008602991 562955898 /nfs/dbraw/zinc/95/58/98/562955898.db2.gz MCYIUKASZNDWLD-UHFFFAOYSA-N 0 0 444.506 5.875 50 0 IKAARN CCOc1ccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000008603359 562955998 /nfs/dbraw/zinc/95/59/98/562955998.db2.gz BIBPMSHYHDZSIR-UHFFFAOYSA-N 0 0 443.547 5.641 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)c1 ZINC000008603345 562956017 /nfs/dbraw/zinc/95/60/17/562956017.db2.gz RDNSCDKSSSOKQW-UHFFFAOYSA-N 0 0 430.508 5.063 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1C ZINC000008603536 562956029 /nfs/dbraw/zinc/95/60/29/562956029.db2.gz NGYNTMKHFRXTAE-UHFFFAOYSA-N 0 0 438.527 5.050 50 0 IKAARN CCOc1ccccc1N(C)C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603701 562956057 /nfs/dbraw/zinc/95/60/57/562956057.db2.gz UCQPPUJRVFXECD-UHFFFAOYSA-N 0 0 443.547 5.199 50 0 IKAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2C)c1 ZINC000008603840 562956145 /nfs/dbraw/zinc/95/61/45/562956145.db2.gz QTVUXNABAZTZIN-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000008603921 562956164 /nfs/dbraw/zinc/95/61/64/562956164.db2.gz XGYWCGONOPYYLV-UHFFFAOYSA-N 0 0 428.488 5.953 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1 ZINC000008603930 562956256 /nfs/dbraw/zinc/95/62/56/562956256.db2.gz NEUFIDYNFNBKEZ-UHFFFAOYSA-N 0 0 432.451 5.404 50 0 IKAARN CCOc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000008603959 562956258 /nfs/dbraw/zinc/95/62/58/562956258.db2.gz LBPLSDGKEZDOIP-UHFFFAOYSA-N 0 0 444.487 5.410 50 0 IKAARN O=C(NCc1ccccc1Cl)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008604108 562956292 /nfs/dbraw/zinc/95/62/92/562956292.db2.gz IXPRCUSYARCWJA-UHFFFAOYSA-N 0 0 433.939 5.107 50 0 aggregator IKAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(F)cc32)cc1 ZINC000008605087 562956571 /nfs/dbraw/zinc/95/65/71/562956571.db2.gz LQSMYSWGZZVURV-UHFFFAOYSA-N 0 0 449.503 5.063 50 0 IKAARN CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(CC)cc32)cc1 ZINC000008605078 562956580 /nfs/dbraw/zinc/95/65/80/562956580.db2.gz KQWVFIXOZNIVLB-UHFFFAOYSA-N 0 0 429.541 5.423 50 0 aggregator IKAARN Cc1c(NC(=O)Nc2ccc(C)cc2Cl)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000008605169 562956611 /nfs/dbraw/zinc/95/66/11/562956611.db2.gz VLKFTFQSVBJNRU-LLVKDONJSA-N 0 0 430.961 5.345 50 0 IKAARN CCn1c(C(=O)NCc2cc(Br)ccc2OC)cc2oc3ccccc3c21 ZINC000008605291 562956685 /nfs/dbraw/zinc/95/66/85/562956685.db2.gz TXOLOEHMUNZURI-UHFFFAOYSA-N 0 0 427.298 5.109 50 0 IKAARN CCOc1ccc(Cn2c3ccccc3nc2-c2ccc(OCC)c(OC)c2)cc1OC ZINC000008606335 562956905 /nfs/dbraw/zinc/95/69/05/562956905.db2.gz OJTAHOOLRLSBOG-UHFFFAOYSA-N 0 0 432.520 5.566 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000008606314 562956915 /nfs/dbraw/zinc/95/69/15/562956915.db2.gz SXNHQIPFQGQCDN-NRFANRHFSA-N 0 0 432.476 5.107 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)C1CCCCC1 ZINC000008606455 562956988 /nfs/dbraw/zinc/95/69/88/562956988.db2.gz HGSFDGKBGCTBOW-UHFFFAOYSA-N 0 0 427.951 5.506 50 0 IKAARN Cc1cc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 ZINC000008606456 562956989 /nfs/dbraw/zinc/95/69/89/562956989.db2.gz BFVSKCAMYRYKSO-HXUWFJFHSA-N 0 0 427.523 5.669 50 0 aggregator IKAARN CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000008606568 562957011 /nfs/dbraw/zinc/95/70/11/562957011.db2.gz REEOCKKOJRYJIB-SANMLTNESA-N 0 0 439.515 5.317 50 0 aggregator IKAARN O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1ccco1 ZINC000008606525 562957021 /nfs/dbraw/zinc/95/70/21/562957021.db2.gz XWDUMSPJTGLNDJ-UHFFFAOYSA-N 0 0 428.319 5.347 50 0 IKAARN COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4F)c3c2cc1OC ZINC000008607098 562957198 /nfs/dbraw/zinc/95/71/98/562957198.db2.gz UXFBETRYHNJPPC-UHFFFAOYSA-N 0 0 431.442 5.845 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)[C@@H]2c1ccccc1 ZINC000008609098 562957618 /nfs/dbraw/zinc/95/76/18/562957618.db2.gz PSVVCZLVSPZYCW-OAQYLSRUSA-N 0 0 444.522 6.817 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1OC)[C@H]2c1ccc(F)cc1 ZINC000008609161 562957713 /nfs/dbraw/zinc/95/77/13/562957713.db2.gz BLUBHABYDUDVJE-QHCPKHFHSA-N 0 0 438.568 6.255 50 0 aggregator IKAARN COc1cc(NC(=O)c2cc3cc4ccc(OC)c(Cl)c4nc3s2)cc(OC)c1 ZINC000008609665 562957936 /nfs/dbraw/zinc/95/79/36/562957936.db2.gz AHPMECIAVHFDHU-UHFFFAOYSA-N 0 0 428.897 5.381 50 0 IKAARN CCOc1ccc(N(CC)C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)cc1 ZINC000008611345 562958580 /nfs/dbraw/zinc/95/85/80/562958580.db2.gz VCTWBKWMEPKNOM-UHFFFAOYSA-N 0 0 429.994 6.740 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c(C)n(Cc3c(F)cccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000008611091 562958384 /nfs/dbraw/zinc/95/83/84/562958384.db2.gz AAUWVRSFORXJPZ-UHFFFAOYSA-N 0 0 428.935 5.496 50 0 aggregator IKAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000008611144 562958400 /nfs/dbraw/zinc/95/84/00/562958400.db2.gz LFHALYAEYWIGTQ-UHFFFAOYSA-N 0 0 442.563 5.148 50 0 IKAARN Fc1cc(Br)ccc1Nc1c2c(nc3nc(-c4cccs4)nn31)CCCC2 ZINC000008611277 562958488 /nfs/dbraw/zinc/95/84/88/562958488.db2.gz OYHSNNIYCVGTJL-UHFFFAOYSA-N 0 0 444.333 5.377 50 0 IKAARN CCOc1cc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)cc(OCC)c1OCC ZINC000008611232 562958493 /nfs/dbraw/zinc/95/84/93/562958493.db2.gz SANJUJXFEQFLRS-UHFFFAOYSA-N 0 0 426.513 5.077 50 0 IKAARN COc1cc(OC)c(Nc2c3c(nc4nc(-c5cccs5)nn42)CCCC3)cc1Cl ZINC000008611273 562958500 /nfs/dbraw/zinc/95/85/00/562958500.db2.gz CTPBQUDIYZQTHB-UHFFFAOYSA-N 0 0 441.944 5.146 50 0 IKAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1cccc(C(F)(F)F)c1 ZINC000008611344 562958542 /nfs/dbraw/zinc/95/85/42/562958542.db2.gz QDTFYAMNGZUYLS-UHFFFAOYSA-N 0 0 439.911 6.970 50 0 IKAARN CCOc1ccc(-c2cc(NC(=O)Nc3ccc(Cl)cc3)c(C(=O)OC)s2)cc1 ZINC000008611392 562958549 /nfs/dbraw/zinc/95/85/49/562958549.db2.gz TWBOPYXWLBCUMZ-UHFFFAOYSA-N 0 0 430.913 5.898 50 0 IKAARN Cc1ccc(CNC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)cc1 ZINC000008611530 562958624 /nfs/dbraw/zinc/95/86/24/562958624.db2.gz PWFXZBILDBWHDL-UHFFFAOYSA-N 0 0 431.536 5.738 50 0 IKAARN COc1ccccc1CNC(=O)CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1 ZINC000008611588 562958702 /nfs/dbraw/zinc/95/87/02/562958702.db2.gz CKIUSQPTSWLTGU-UHFFFAOYSA-N 0 0 447.535 5.438 50 0 IKAARN Nc1c(-c2nc(-c3ccccc3)cs2)c2ccccn2c1C(=O)c1ccc2c(c1)OCO2 ZINC000008611743 562958712 /nfs/dbraw/zinc/95/87/12/562958712.db2.gz FAAKBSLZAWOUBJ-UHFFFAOYSA-N 0 0 439.496 5.272 50 0 aggregator IKAARN COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3ccccc3C)cc2c1 ZINC000008612050 562958913 /nfs/dbraw/zinc/95/89/13/562958913.db2.gz QTSVCRMPDAVWIL-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000008612012 562958915 /nfs/dbraw/zinc/95/89/15/562958915.db2.gz OLKKSYRJILXZCH-UHFFFAOYSA-N 0 0 446.934 5.736 50 0 IKAARN CSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)n1 ZINC000008612019 562958940 /nfs/dbraw/zinc/95/89/40/562958940.db2.gz JHWQGNZAZVDGLT-UHFFFAOYSA-N 0 0 437.908 5.390 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1cc(=O)c2ccccc2o1 ZINC000008612265 562959073 /nfs/dbraw/zinc/95/90/73/562959073.db2.gz FMFTZRHLBWNSEY-UHFFFAOYSA-N 0 0 443.842 5.676 50 0 IKAARN CCCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1ccc(Cl)cc1 ZINC000008612657 562959225 /nfs/dbraw/zinc/95/92/25/562959225.db2.gz QPFGXPYOWFMWAD-UHFFFAOYSA-N 0 0 425.945 5.659 50 0 IKAARN COc1ccc(C(=O)Oc2cc(-c3ccc4c(c3)OCO4)cc(=O)c3c(C)oc(C)c32)cc1 ZINC000008612507 562959243 /nfs/dbraw/zinc/95/92/43/562959243.db2.gz OINZYOIIEKBFCQ-UHFFFAOYSA-N 0 0 444.439 5.033 50 0 biogenic IKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3c(ccc(C)c3C)c2C)cc1OCC ZINC000008612512 562959255 /nfs/dbraw/zinc/95/92/55/562959255.db2.gz SXUIZKXFOBXLQA-UHFFFAOYSA-N 0 0 435.480 5.458 50 0 aggregator IKAARN CCc1cccc2c(-c3ccccc3)nc(SCC(=O)Nc3ccc(OC)cc3)nc12 ZINC000008612845 562959328 /nfs/dbraw/zinc/95/93/28/562959328.db2.gz QYDCZTGCPHQBJQ-UHFFFAOYSA-N 0 0 429.545 5.599 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)nc(-c3ccccc3)c2c1 ZINC000008613077 562959398 /nfs/dbraw/zinc/95/93/98/562959398.db2.gz KEXMAZLJXGGSMZ-UHFFFAOYSA-N 0 0 433.508 5.565 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3c(C)cccc3c(-c3ccc(F)cc3)n2)cc1 ZINC000008613067 562959406 /nfs/dbraw/zinc/95/94/06/562959406.db2.gz IXBYNLVGGNMFOK-UHFFFAOYSA-N 0 0 433.508 5.484 50 0 IKAARN Cc1ccc2c(CC(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)coc2c1C ZINC000008614284 562959600 /nfs/dbraw/zinc/95/96/00/562959600.db2.gz NPYQUBNIHSXFPD-UHFFFAOYSA-N 0 0 441.458 6.347 50 0 IKAARN CCOc1ccc(-c2cc(NC(=O)Nc3ccccc3Cl)c(C(=O)OC)s2)cc1 ZINC000008614269 562959609 /nfs/dbraw/zinc/95/96/09/562959609.db2.gz MLSCYUHWICRRFM-UHFFFAOYSA-N 0 0 430.913 5.898 50 0 IKAARN CCn1cc2nc(SCc3cc(C)ccc3C)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000008619176 562959803 /nfs/dbraw/zinc/95/98/03/562959803.db2.gz UUZKXTCEWNRAFD-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCOc1ccc(NC(=O)c2sc(-n3nc(C)c(CCC(C)C)c3C)nc2C)cc1 ZINC000008654794 562960283 /nfs/dbraw/zinc/96/02/83/562960283.db2.gz DNHHFOGUZKNXAA-UHFFFAOYSA-N 0 0 426.586 5.494 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccccc1 ZINC000008671673 562960953 /nfs/dbraw/zinc/96/09/53/562960953.db2.gz UTDRXYVQZWPOOA-UHFFFAOYSA-N 0 0 425.513 5.571 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)c1 ZINC000008673563 562961215 /nfs/dbraw/zinc/96/12/15/562961215.db2.gz QMUFIQOISKDMKY-UHFFFAOYSA-N 0 0 444.560 5.300 50 0 IKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000008673509 562961222 /nfs/dbraw/zinc/96/12/22/562961222.db2.gz GMPDXNQBNHEWPC-UHFFFAOYSA-N 0 0 429.563 5.578 50 0 IKAARN Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 ZINC000008673664 562961283 /nfs/dbraw/zinc/96/12/83/562961283.db2.gz AQQSEBIDPFWDBF-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN O=C(Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1)c1cccs1 ZINC000008673703 562961298 /nfs/dbraw/zinc/96/12/98/562961298.db2.gz QQOUGIUUEPIZCK-UHFFFAOYSA-N 0 0 447.006 6.435 50 0 aggregator IKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 ZINC000008673756 562961305 /nfs/dbraw/zinc/96/13/05/562961305.db2.gz XZAVTUSVFJQNRZ-UHFFFAOYSA-N 0 0 447.585 5.612 50 0 aggregator IKAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 ZINC000008673873 562961343 /nfs/dbraw/zinc/96/13/43/562961343.db2.gz VUXIBCXLUSOXFV-UHFFFAOYSA-N 0 0 433.558 5.588 50 0 IKAARN CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 ZINC000008682504 562961806 /nfs/dbraw/zinc/96/18/06/562961806.db2.gz LCHKXPXWDLBGEY-BYXVTNLJSA-N 0 0 445.902 5.261 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000008683344 562961911 /nfs/dbraw/zinc/96/19/11/562961911.db2.gz ATORYYKQVUGPPR-LJQANCHMSA-N 0 0 441.984 5.093 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000008683343 562961960 /nfs/dbraw/zinc/96/19/60/562961960.db2.gz ATORYYKQVUGPPR-IBGZPJMESA-N 0 0 441.984 5.093 50 0 IKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000008683351 562962016 /nfs/dbraw/zinc/96/20/16/562962016.db2.gz FPDVWUYXGFNIJI-UHFFFAOYSA-N 0 0 430.577 5.596 50 0 aggregator IKAARN COc1ccc(-c2nc(-c3ccc(C)cc3)[nH]c2SCC(=O)Nc2nccs2)cc1 ZINC000008684522 562962177 /nfs/dbraw/zinc/96/21/77/562962177.db2.gz CWIBXZXADGPYFT-UHFFFAOYSA-N 0 0 436.562 5.248 50 0 aggregator IKAARN CCCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 ZINC000008684611 562962266 /nfs/dbraw/zinc/96/22/66/562962266.db2.gz VFNNUMACXMBVMY-UHFFFAOYSA-N 0 0 438.641 5.051 50 0 IKAARN COc1ccc(/C=C(/CC(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1 ZINC000008685315 562962451 /nfs/dbraw/zinc/96/24/51/562962451.db2.gz GNHKSCNHURGTJZ-RGEXLXHISA-N 0 0 448.975 6.205 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000008685417 562962474 /nfs/dbraw/zinc/96/24/74/562962474.db2.gz FXSYYMGBMPXVBO-SHTDZRSESA-N 0 0 444.531 5.166 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000008685454 562962517 /nfs/dbraw/zinc/96/25/17/562962517.db2.gz BLHDQZRYPMMZDK-IBGZPJMESA-N 0 0 448.781 6.007 50 0 IKAARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000008686298 562962730 /nfs/dbraw/zinc/96/27/30/562962730.db2.gz YULXOLBQMJTMLE-UHFFFAOYSA-N 0 0 443.359 5.767 50 0 IKAARN Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 ZINC000008686287 562962751 /nfs/dbraw/zinc/96/27/51/562962751.db2.gz XQJBWTWZQXGRTH-UHFFFAOYSA-N 0 0 431.952 5.944 50 0 IKAARN C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000008687583 562963062 /nfs/dbraw/zinc/96/30/62/562963062.db2.gz IHIUCLFYIRIBAI-GOSISDBHSA-N 0 0 447.494 5.634 50 0 aggregator IKAARN COc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccc(C)cc4)n3)nc2c1 ZINC000008690943 562963293 /nfs/dbraw/zinc/96/32/93/562963293.db2.gz XGKLVNMRDPUOLJ-UHFFFAOYSA-N 0 0 436.562 5.110 50 0 aggregator IKAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc2c(s1)CCCC2 ZINC000008693875 562963693 /nfs/dbraw/zinc/96/36/93/562963693.db2.gz CLSOZRUCCMAFPW-UHFFFAOYSA-N 0 0 446.981 5.333 50 0 IKAARN O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000008693948 562963764 /nfs/dbraw/zinc/96/37/64/562963764.db2.gz ITAUVHRNEHROPH-DTYYQPIHSA-N 0 0 429.470 5.797 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000008773123 562964052 /nfs/dbraw/zinc/96/40/52/562964052.db2.gz UHKQCLUYDWSYTJ-HSEDLZSMSA-N 0 0 440.499 5.012 50 0 IKAARN Cc1csc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)n1 ZINC000008830028 562964688 /nfs/dbraw/zinc/96/46/88/562964688.db2.gz WLUOLHQWUASRRZ-UHFFFAOYSA-N 0 0 425.945 5.003 50 0 IKAARN COc1cc(NC(=O)c2cc3c(s2)c2ccccc2nc3Cl)cc(OC)c1OC ZINC000008829922 562964731 /nfs/dbraw/zinc/96/47/31/562964731.db2.gz QIXALSUBLYGAIX-UHFFFAOYSA-N 0 0 428.897 5.381 50 0 IKAARN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000008830792 562964867 /nfs/dbraw/zinc/96/48/67/562964867.db2.gz VQLQBCZWJKTARS-UHFFFAOYSA-N 0 0 439.309 5.352 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000008830823 562964877 /nfs/dbraw/zinc/96/48/77/562964877.db2.gz ZYDRIUGQFCYITA-UHFFFAOYSA-N 0 0 446.865 6.701 50 0 IKAARN CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 ZINC000008830807 562964881 /nfs/dbraw/zinc/96/48/81/562964881.db2.gz VKMGIUDKYXTTTC-UHFFFAOYSA-N 0 0 443.330 6.287 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 ZINC000008830822 562964882 /nfs/dbraw/zinc/96/48/82/562964882.db2.gz AMZBBZKIZYSTOS-UHFFFAOYSA-N 0 0 436.899 5.124 50 0 IKAARN CCN(CC)C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000008830978 562964929 /nfs/dbraw/zinc/96/49/29/562964929.db2.gz HZCKGHYWQNCNSP-UHFFFAOYSA-N 0 0 431.561 5.872 50 0 IKAARN O=C(COc1ccccc1)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000008830897 562964946 /nfs/dbraw/zinc/96/49/46/562964946.db2.gz QBXPBFKRGSLNQC-UHFFFAOYSA-N 0 0 436.558 5.485 50 0 IKAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1c(C)cccc1C ZINC000008860193 562965251 /nfs/dbraw/zinc/96/52/51/562965251.db2.gz GNMPPDFKKUBYIJ-UHFFFAOYSA-N 0 0 443.572 5.577 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)NCc2ccccc2Cl)cc1 ZINC000008860294 562965367 /nfs/dbraw/zinc/96/53/67/562965367.db2.gz FYDIFKCSKUWDPL-UHFFFAOYSA-N 0 0 447.991 5.591 50 0 IKAARN CCCCSCCCNC(=O)CCCN1c2cccnc2Sc2ccccc2C1=O ZINC000009114958 562967083 /nfs/dbraw/zinc/96/70/83/562967083.db2.gz GIBZTVGEEXRFFB-UHFFFAOYSA-N 0 0 443.638 5.013 50 0 IKAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000009255871 562968525 /nfs/dbraw/zinc/96/85/25/562968525.db2.gz GYYGZGZSYADILM-NRFANRHFSA-N 0 0 428.513 5.023 50 0 IKAARN CSc1nc2ccc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc3c2s1 ZINC000009404747 562970089 /nfs/dbraw/zinc/97/00/89/562970089.db2.gz BUCDUYQXSOORAZ-UHFFFAOYSA-N 0 0 449.582 6.673 50 0 IKAARN CSc1nc2ccc3nc(NC(=O)c4ccccc4Br)sc3c2s1 ZINC000009404737 562970103 /nfs/dbraw/zinc/97/01/03/562970103.db2.gz HLKKROUQRUTSIE-UHFFFAOYSA-N 0 0 436.381 5.643 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000009432915 562970763 /nfs/dbraw/zinc/97/07/63/562970763.db2.gz QJLGPRAQDNVALU-FCHUYYIVSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H]1c1cccs1 ZINC000009433234 562970846 /nfs/dbraw/zinc/97/08/46/562970846.db2.gz DODRHCDYHZWWQW-SFTDATJTSA-N 0 0 439.968 5.372 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(C)C)cc2)[C@H]1c1cccs1 ZINC000009433035 562970867 /nfs/dbraw/zinc/97/08/67/562970867.db2.gz AYHMXVZVCWAYDM-JWQCQUIFSA-N 0 0 446.616 6.447 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009433496 562970922 /nfs/dbraw/zinc/97/09/22/562970922.db2.gz UXZZPAVIPKXYHQ-JWQCQUIFSA-N 0 0 444.600 6.173 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 ZINC000009444493 562971306 /nfs/dbraw/zinc/97/13/06/562971306.db2.gz WJBQYTTXMCSWRD-OAQYLSRUSA-N 0 0 431.879 5.481 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000009493675 562972224 /nfs/dbraw/zinc/97/22/24/562972224.db2.gz PQGMANAKJIHFFK-UHFFFAOYSA-N 0 0 442.368 5.120 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4F)no3)ccc21 ZINC000009560585 562973222 /nfs/dbraw/zinc/97/32/22/562973222.db2.gz BVIHFTLHUNNBFZ-UHFFFAOYSA-N 0 0 428.467 5.575 50 0 IKAARN C[C@H]1Cc2ccc(F)cc2CN1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000009556428 562973246 /nfs/dbraw/zinc/97/32/46/562973246.db2.gz YSFRODNDLBFHLB-AWEZNQCLSA-N 0 0 444.300 5.347 50 0 IKAARN CCC1=Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2Sc2ccc(Br)cc21 ZINC000009608270 562974077 /nfs/dbraw/zinc/97/40/77/562974077.db2.gz FWDGNGNJNVPPMH-OAHLLOKOSA-N 0 0 445.382 5.353 50 0 IKAARN COc1cc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc(OC)c1OC ZINC000009681068 562975384 /nfs/dbraw/zinc/97/53/84/562975384.db2.gz KVCYDZXQNCUARO-HSZRJFAPSA-N 0 0 438.911 5.133 50 0 IKAARN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000009761283 562976589 /nfs/dbraw/zinc/97/65/89/562976589.db2.gz PZYKPTSLCKKASA-QHCPKHFHSA-N 0 0 431.879 5.194 50 0 IKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009857818 562977391 /nfs/dbraw/zinc/97/73/91/562977391.db2.gz JZSOQKFLFLVEQU-ZEQRLZLVSA-N 0 0 430.573 5.919 50 0 IKAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000010434547 562978722 /nfs/dbraw/zinc/97/87/22/562978722.db2.gz CEFIDCFMTGIGDU-HSZRJFAPSA-N 0 0 426.545 5.607 50 0 IKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCN(c3ccccn3)CC2)c(C)s1 ZINC000011844003 562979649 /nfs/dbraw/zinc/97/96/49/562979649.db2.gz KXEYVFAGHLNOEV-UHFFFAOYSA-N 0 0 447.583 5.074 50 0 IKAARN C[C@H](c1ccccc1)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)C(=O)c1ccco1 ZINC000012383798 562981840 /nfs/dbraw/zinc/98/18/40/562981840.db2.gz XQPMDJXRXKQOOF-ZSQFBXSQSA-N 0 0 445.603 6.862 50 0 IKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2c(cccc2Cl)c1C ZINC000012999473 562983915 /nfs/dbraw/zinc/98/39/15/562983915.db2.gz UFKOCYGWTKQJGR-UHFFFAOYSA-N 0 0 438.833 5.514 50 0 IKAARN COc1ccc(-c2c(-c3csc(C)n3)c(C(F)(F)F)nn2-c2ccccc2)c(O)c1 ZINC000013125432 562984847 /nfs/dbraw/zinc/98/48/47/562984847.db2.gz YZHODMONNDXWPT-UHFFFAOYSA-N 0 0 431.439 5.704 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S@](=O)Cc2ccc(Cl)cc2)o1 ZINC000015943615 563020011 /nfs/dbraw/zinc/02/00/11/563020011.db2.gz LOAMATNZFVBDEX-NDEPHWFRSA-N 0 0 436.360 5.008 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1 ZINC000015943613 563020013 /nfs/dbraw/zinc/02/00/13/563020013.db2.gz LOAMATNZFVBDEX-MUUNZHRXSA-N 0 0 436.360 5.008 50 0 IKAARN CCCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015951919 563020308 /nfs/dbraw/zinc/02/03/08/563020308.db2.gz HPTXRCYDASIAJZ-UHFFFAOYSA-N 0 0 440.565 5.463 50 0 IKAARN Fc1ccc([C@H](NCCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000020178489 563023901 /nfs/dbraw/zinc/02/39/01/563023901.db2.gz IYJVSBOKRFRMEO-NRFANRHFSA-N 0 0 442.321 6.104 50 0 IKAARN Fc1ccc([C@H](NCCc2ccc(Cl)cc2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178251 563023920 /nfs/dbraw/zinc/02/39/20/563023920.db2.gz BWHZLWDRAYGMFV-NRFANRHFSA-N 0 0 442.321 6.104 50 0 IKAARN Cc1ccc(C)c(N2CCN([C@@H](c3nnc(-c4ccccc4)o3)c3ccc(F)cc3)CC2)c1 ZINC000020178477 563023929 /nfs/dbraw/zinc/02/39/29/563023929.db2.gz BTGMIWLPDUPRJJ-RUZDIDTESA-N 0 0 442.538 5.404 50 0 IKAARN Fc1ccc(N2CCN(Cc3cnc(Oc4ccc(Br)cc4)s3)CC2)cc1 ZINC000020218619 563024128 /nfs/dbraw/zinc/02/41/28/563024128.db2.gz QDMVNYLLAVMQHS-UHFFFAOYSA-N 0 0 448.361 5.159 50 0 IKAARN COc1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NO2)cc1 ZINC000027528304 563043343 /nfs/dbraw/zinc/04/33/43/563043343.db2.gz XIROHIIIMSLZKC-JOCHJYFZSA-N 0 0 430.891 5.723 50 0 IKAARN O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000038204416 563096993 /nfs/dbraw/zinc/09/69/93/563096993.db2.gz JBRNEVFTJPFTDM-GGPYAICQSA-N 0 0 428.482 6.402 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)n2)c2cccs2)c1C ZINC000038547539 563097976 /nfs/dbraw/zinc/09/79/76/563097976.db2.gz GBCAQCPCCOUMDX-QFIPXVFZSA-N 0 0 433.602 6.584 50 0 IKAARN COc1cc(NC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc(OC)c1OC ZINC000044224861 563121827 /nfs/dbraw/zinc/12/18/27/563121827.db2.gz LUQXQUHPHVVGPJ-UHFFFAOYSA-N 0 0 442.522 5.090 50 0 IKAARN COc1cc(NC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC ZINC000044224846 563121837 /nfs/dbraw/zinc/12/18/37/563121837.db2.gz KAHUBRPMNJHLQP-UHFFFAOYSA-N 0 0 425.919 5.195 50 0 IKAARN O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000054105908 563142207 /nfs/dbraw/zinc/14/22/07/563142207.db2.gz YWBRTMOQSYWZLU-UHFFFAOYSA-N 0 0 446.934 5.141 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)n2C2CCCCC2)cc1OC ZINC000023374703 568613743 /nfs/dbraw/zinc/61/37/43/568613743.db2.gz BYZGABCYCBKDES-UHFFFAOYSA-N 0 0 444.988 5.808 50 0 IKAARN CSc1ccc(N2C[C@H](C(=O)Nc3ccc(SCc4cccnc4)cc3)CC2=O)cc1 ZINC000024927524 568614152 /nfs/dbraw/zinc/61/41/52/568614152.db2.gz AGLGDBMZVNZYKC-GOSISDBHSA-N 0 0 449.601 5.087 50 0 IKAARN CCOC(=O)C[C@@H](NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)c1ccccc1 ZINC000085808192 568625437 /nfs/dbraw/zinc/62/54/37/568625437.db2.gz UKRGRNNZYDDPQI-JOCHJYFZSA-N 0 0 445.494 5.790 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(O)cc2)n1C)C(=O)N(c1ccccc1)c1ccccc1 ZINC000000899371 568635146 /nfs/dbraw/zinc/63/51/46/568635146.db2.gz QURSVOFZYVSHOS-KRWDZBQOSA-N 0 0 430.533 5.033 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000000900251 568635932 /nfs/dbraw/zinc/63/59/32/568635932.db2.gz JLAHMPDXOLESRQ-LJQANCHMSA-N 0 0 443.576 5.125 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccnc1Cl ZINC000000900406 568636071 /nfs/dbraw/zinc/63/60/71/568636071.db2.gz LMTRXEWQDBZZLY-UHFFFAOYSA-N 0 0 430.864 5.003 50 0 IKAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccccc1-c1ccccc1 ZINC000000907529 568636425 /nfs/dbraw/zinc/63/64/25/568636425.db2.gz KBXYRAVEJQAZBG-UHFFFAOYSA-N 0 0 447.585 5.261 50 0 IKAARN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)Nc1ccccc1-c1ccccc1 ZINC000000907473 568636576 /nfs/dbraw/zinc/63/65/76/568636576.db2.gz QHAMRGNEEHVXIW-UHFFFAOYSA-N 0 0 429.480 5.043 50 0 IKAARN COc1cc2c(cc1NC(=O)COc1ccc3c(C)cc(=O)oc3c1)oc1ccccc12 ZINC000015081338 568636737 /nfs/dbraw/zinc/63/67/37/568636737.db2.gz JSYLWEYDQNOGSY-UHFFFAOYSA-N 0 0 429.428 5.027 50 0 IKAARN CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919291 568636908 /nfs/dbraw/zinc/63/69/08/568636908.db2.gz RZPAXJUQVLFKQV-YJBOKZPZSA-N 0 0 432.446 5.686 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2Cc2ccccc2)cc1 ZINC000000917005 568637412 /nfs/dbraw/zinc/63/74/12/568637412.db2.gz YSIPIKCBZATBIU-UHFFFAOYSA-N 0 0 446.551 5.361 50 0 IKAARN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccccc1Cl ZINC000000925194 568637675 /nfs/dbraw/zinc/63/76/75/568637675.db2.gz NZQOMWDTBZNQJZ-UHFFFAOYSA-N 0 0 448.979 5.301 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)Nc1cccc2nsnc21 ZINC000019077705 568638446 /nfs/dbraw/zinc/63/84/46/568638446.db2.gz CDDSKEWESDOLKF-UHFFFAOYSA-N 0 0 447.520 5.171 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2ccccc2Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000000937245 568638964 /nfs/dbraw/zinc/63/89/64/568638964.db2.gz OIDWCAWIPVUFFS-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C)c3)c2)n(-c2cccc(C)c2)n1 ZINC000025143155 568639683 /nfs/dbraw/zinc/63/96/83/568639683.db2.gz AGJGMTZHEBGATP-UHFFFAOYSA-N 0 0 439.515 5.585 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)ccc2C)c1-c1ccc(F)cc1 ZINC000025143589 568639744 /nfs/dbraw/zinc/63/97/44/568639744.db2.gz QSPVWYQOQUREQA-UHFFFAOYSA-N 0 0 444.550 6.953 50 0 IKAARN Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000025142459 568639884 /nfs/dbraw/zinc/63/98/84/568639884.db2.gz UQKYIFDJDNUEJI-MHZLTWQESA-N 0 0 440.518 5.814 50 0 IKAARN CCOc1ccc(-c2nc3ccccc3c(N3CCN(c4ccccc4Cl)CC3)n2)cc1 ZINC000025142200 568639889 /nfs/dbraw/zinc/63/98/89/568639889.db2.gz XEIIAWDWHBOUJT-UHFFFAOYSA-N 0 0 444.966 5.676 50 0 IKAARN O=C(Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1)c1cccc(Cl)c1 ZINC000025142395 568639943 /nfs/dbraw/zinc/63/99/43/568639943.db2.gz VRRIWVIUDLKXMB-UHFFFAOYSA-N 0 0 442.902 6.093 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n(-c2cccc(C)c2)n1 ZINC000025142866 568640130 /nfs/dbraw/zinc/64/01/30/568640130.db2.gz RZELOEKUUSUGIV-UHFFFAOYSA-N 0 0 439.515 5.585 50 0 IKAARN COc1ccc(CCn2c(=O)c3ccc(Cl)cc3nc2-c2cnc3ccccc3c2)cc1 ZINC000025142792 568640188 /nfs/dbraw/zinc/64/01/88/568640188.db2.gz XBKOZTCZUPVCCM-UHFFFAOYSA-N 0 0 441.918 5.516 50 0 IKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000025142619 568640208 /nfs/dbraw/zinc/64/02/08/568640208.db2.gz BOJOHWYRXWKJHN-AREMUKBSSA-N 0 0 449.554 5.658 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1ccc(OC)cc1 ZINC000025142672 568640240 /nfs/dbraw/zinc/64/02/40/568640240.db2.gz CLJYPONXFLTWCG-UHFFFAOYSA-N 0 0 442.559 6.514 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1cc(C)cc(C)c1 ZINC000025142772 568640246 /nfs/dbraw/zinc/64/02/46/568640246.db2.gz FDLFSPMHPSKBHT-UHFFFAOYSA-N 0 0 440.587 7.122 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1ccc(F)c(F)c1 ZINC000025145596 568640451 /nfs/dbraw/zinc/64/04/51/568640451.db2.gz MONOLVNLVNVJRB-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN O=C(NCCOc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025145324 568640479 /nfs/dbraw/zinc/64/04/79/568640479.db2.gz WVLRRNWNWXDVHK-UHFFFAOYSA-N 0 0 433.511 5.706 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C)c3)c2)n(-c2ccccc2F)n1 ZINC000025145236 568640483 /nfs/dbraw/zinc/64/04/83/568640483.db2.gz MCAUFRIMXUSQLX-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(F)cc(F)c2)c1-c1ccc(C)cc1 ZINC000025144483 568640696 /nfs/dbraw/zinc/64/06/96/568640696.db2.gz AWORFAYTSLCIGA-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)oc3C)c2)n(-c2ccc(F)cc2)n1 ZINC000025144038 568640733 /nfs/dbraw/zinc/64/07/33/568640733.db2.gz CBRKWCKKYSRDIW-UHFFFAOYSA-N 0 0 447.466 5.317 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3C)c2)n(-c2ccccc2C)n1 ZINC000025144168 568640738 /nfs/dbraw/zinc/64/07/38/568640738.db2.gz DLDLLEHWHYBAGX-UHFFFAOYSA-N 0 0 439.515 5.585 50 0 IKAARN CCOc1c(OC)cccc1-c1nc2ccc(-c3ccc(OC)c(OC)c3OC)cc2o1 ZINC000025144734 568640816 /nfs/dbraw/zinc/64/08/16/568640816.db2.gz SXHZVPWXUOEAJO-UHFFFAOYSA-N 0 0 435.476 5.595 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2F)c1-c1ccc(C)cc1 ZINC000025145022 568640837 /nfs/dbraw/zinc/64/08/37/568640837.db2.gz LTZOOEDGYYGBFF-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN COc1ccccc1-c1cccc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)n1 ZINC000025145025 568640868 /nfs/dbraw/zinc/64/08/68/568640868.db2.gz MJWXBMARTMXUCW-UHFFFAOYSA-N 0 0 448.444 6.695 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3cccs3)c2)n(-c2ccccc2C)n1 ZINC000025145128 568640905 /nfs/dbraw/zinc/64/09/05/568640905.db2.gz ZPAWSYQKKJRKOG-UHFFFAOYSA-N 0 0 445.544 5.267 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1-c1ccc(F)c(F)c1 ZINC000025144743 568640996 /nfs/dbraw/zinc/64/09/96/568640996.db2.gz LPTDSUHWGZKAMX-UHFFFAOYSA-N 0 0 448.513 6.784 50 0 IKAARN COc1ccc(-c2ccc3nc(-c4cc(OC)c(OC)cc4F)oc3c2)c(OC)c1OC ZINC000025146055 568641106 /nfs/dbraw/zinc/64/11/06/568641106.db2.gz WLVUKLQEAZDXDN-UHFFFAOYSA-N 0 0 439.439 5.344 50 0 IKAARN CN(C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12)C1CCCCC1 ZINC000025146860 568641129 /nfs/dbraw/zinc/64/11/29/568641129.db2.gz XGHYQWJHLUGUIT-UHFFFAOYSA-N 0 0 430.577 5.613 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(F)c3)c2)n(-c2ccccc2F)n1 ZINC000025146487 568641171 /nfs/dbraw/zinc/64/11/71/568641171.db2.gz DTSCIWAVTDHENH-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN CCn1c(SCc2cc(F)c(F)c(F)c2)nnc1-c1c2c(nc3ccccc31)CCC2 ZINC000025146659 568641224 /nfs/dbraw/zinc/64/12/24/568641224.db2.gz QQSOUKAILNCJEA-UHFFFAOYSA-N 0 0 440.494 5.712 50 0 IKAARN CCCCN(C)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(C)c2-c2ccc(F)cc2)cc1 ZINC000025147239 568641320 /nfs/dbraw/zinc/64/13/20/568641320.db2.gz SFQYITBPMNDCHU-UHFFFAOYSA-N 0 0 447.514 5.217 50 0 IKAARN CCn1c(SCc2cccc(C(=O)OC)c2)nnc1-c1c2c(nc3ccccc31)CCC2 ZINC000025147242 568641332 /nfs/dbraw/zinc/64/13/32/568641332.db2.gz DRFBGRIOMTZEHO-UHFFFAOYSA-N 0 0 444.560 5.081 50 0 IKAARN CCn1c(SCc2ccc(F)c(F)c2F)nnc1-c1c2c(nc3ccccc31)CCC2 ZINC000025147228 568641445 /nfs/dbraw/zinc/64/14/45/568641445.db2.gz NYDRDMSWBOMAEB-UHFFFAOYSA-N 0 0 440.494 5.712 50 0 IKAARN CCn1c(SCc2c(F)ccc(F)c2F)nnc1-c1c2c(nc3ccccc31)CCC2 ZINC000025147888 568641456 /nfs/dbraw/zinc/64/14/56/568641456.db2.gz RHPTXANEXVUFOX-UHFFFAOYSA-N 0 0 440.494 5.712 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O)c1cccs1 ZINC000000940285 568641592 /nfs/dbraw/zinc/64/15/92/568641592.db2.gz JNUOUEJACHRZPU-UHFFFAOYSA-N 0 0 443.274 5.629 50 0 IKAARN CCCc1cc(-c2nc(N)nc(C)c2-c2ccc(Br)cc2)c(O)cc1OC ZINC000000940962 568641663 /nfs/dbraw/zinc/64/16/63/568641663.db2.gz QLURJVULWWLLLN-UHFFFAOYSA-N 0 0 428.330 5.130 50 0 biogenic IKAARN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025148432 568641816 /nfs/dbraw/zinc/64/18/16/568641816.db2.gz KXIIVDPQFGNZHX-VGSWGCGISA-N 0 0 442.538 5.844 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2cccc(C)c2)c3=O)cc1OC ZINC000000942755 568641875 /nfs/dbraw/zinc/64/18/75/568641875.db2.gz TXFAGLQNJMQRAS-UHFFFAOYSA-N 0 0 432.428 5.130 50 0 biogenic IKAARN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)cc1 ZINC000025148485 568642200 /nfs/dbraw/zinc/64/22/00/568642200.db2.gz YFZGURSBZVZMGV-UHFFFAOYSA-N 0 0 433.511 5.836 50 0 IKAARN COC(=O)c1cc(OC)cc(OC)c1-c1nc2ccc(-c3cc(C)c(OC)c(C)c3)cc2o1 ZINC000025149350 568642518 /nfs/dbraw/zinc/64/25/18/568642518.db2.gz KBVWCLPACHCULQ-UHFFFAOYSA-N 0 0 447.487 5.591 50 0 IKAARN Cc1cc(C(=O)N2CCCCCCC2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149232 568642549 /nfs/dbraw/zinc/64/25/49/568642549.db2.gz REABJDQEBXJCJU-UHFFFAOYSA-N 0 0 442.538 5.941 50 0 IKAARN Cc1c2ccccc2oc1C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025157798 568642675 /nfs/dbraw/zinc/64/26/75/568642675.db2.gz ZBEWWTNSAWIISN-UHFFFAOYSA-N 0 0 448.526 5.314 50 0 IKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2ccc(-c3cccc(Cl)c3)s2)cc1 ZINC000025150300 568642983 /nfs/dbraw/zinc/64/29/83/568642983.db2.gz WLPNNEPMUSPZJG-SANMLTNESA-N 0 0 443.999 7.165 50 0 IKAARN C/C=C(\C)C(=O)Nc1cc(C(=O)OCC)ccc1-n1c2ccccc2nc1-c1ccccn1 ZINC000025150166 568643044 /nfs/dbraw/zinc/64/30/44/568643044.db2.gz LHZYTQZRIMIDSS-HAVNEIBRSA-N 0 0 440.503 5.169 50 0 IKAARN Cc1cc2nnc(SCCC(=O)Nc3ccc(-c4ccccc4)cc3)n2c2ccccc12 ZINC000000944325 568643137 /nfs/dbraw/zinc/64/31/37/568643137.db2.gz QDMGYVKQLQJRKV-UHFFFAOYSA-N 0 0 438.556 5.979 50 0 IKAARN O=C(NCc1ccc(F)cc1F)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025150543 568643360 /nfs/dbraw/zinc/64/33/60/568643360.db2.gz XMUWNZCKMLBUDM-UHFFFAOYSA-N 0 0 439.465 6.105 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(I)cc1)c1cccnc1 ZINC000000945468 568643377 /nfs/dbraw/zinc/64/33/77/568643377.db2.gz BRVOVXOSVNOFFU-OAQYLSRUSA-N 0 0 439.300 5.677 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025151699 568643395 /nfs/dbraw/zinc/64/33/95/568643395.db2.gz JLRULKFQSJJUEB-UHFFFAOYSA-N 0 0 447.538 6.226 50 0 IKAARN O=C(c1ccc(-c2ccc(F)c(F)c2)s1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000025152833 568643400 /nfs/dbraw/zinc/64/34/00/568643400.db2.gz BLLVCYKYYVOAFY-RUZDIDTESA-N 0 0 449.497 6.620 50 0 IKAARN COc1ccc(-c2cnn3c2ncc(C(=O)N[C@H](C)c2cccc4ccccc42)c3C)cc1 ZINC000025154058 568643551 /nfs/dbraw/zinc/64/35/51/568643551.db2.gz XPONBTOGUXDILC-QGZVFWFLSA-N 0 0 436.515 5.358 50 0 IKAARN Cc1nc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C(F)(F)F)cs1 ZINC000000946864 568643592 /nfs/dbraw/zinc/64/35/92/568643592.db2.gz ITQICXRCBVUMLC-UHFFFAOYSA-N 0 0 431.439 5.812 50 0 IKAARN COc1cc([C@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc(OC)c1OC ZINC000000946574 568643599 /nfs/dbraw/zinc/64/35/99/568643599.db2.gz PJJYGEFXYJODEM-NRFANRHFSA-N 0 0 432.925 6.065 50 0 IKAARN C[C@H](CCc1ccccc1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000025153198 568643602 /nfs/dbraw/zinc/64/36/02/568643602.db2.gz DSEZOQUBESUKNS-JOCHJYFZSA-N 0 0 445.566 7.522 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1nn(-c2ccc(F)cc2)c2ncccc12 ZINC000025157607 568643773 /nfs/dbraw/zinc/64/37/73/568643773.db2.gz IICUSKJEHZCFMV-XMMPIXPASA-N 0 0 436.490 5.273 50 0 IKAARN CN(Cc1cccc2ccccc21)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000025156175 568643858 /nfs/dbraw/zinc/64/38/58/568643858.db2.gz FRRQJIHGVUXKDS-UHFFFAOYSA-N 0 0 449.575 7.633 50 0 IKAARN CCc1ccc(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)cc1 ZINC000000950739 568645391 /nfs/dbraw/zinc/64/53/91/568645391.db2.gz LZUMXKBEMULUPP-UHFFFAOYSA-N 0 0 430.456 5.270 50 0 IKAARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCCC4)c(C)n1C[C@H]1CCCO1 ZINC000000952429 568645577 /nfs/dbraw/zinc/64/55/77/568645577.db2.gz PZWOLFPHLXSZNW-MRXNPFEDSA-N 0 0 441.622 5.142 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000952127 568645595 /nfs/dbraw/zinc/64/55/95/568645595.db2.gz HJCYRLBIRDYOOR-UHFFFAOYSA-N 0 0 443.330 5.826 50 0 IKAARN COc1ccc2cc(-c3nc4ccc(-c5ccc(OC)c(OC)c5OC)cc4o3)ccc2c1 ZINC000025158919 568645630 /nfs/dbraw/zinc/64/56/30/568645630.db2.gz MCAPGOKJAQAGQJ-UHFFFAOYSA-N 0 0 441.483 6.349 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000955525 568645734 /nfs/dbraw/zinc/64/57/34/568645734.db2.gz DZTOBADKYSNARD-UHFFFAOYSA-N 0 0 428.410 5.284 50 0 IKAARN COC(=O)c1ccc(COc2ccc3c(c2)occ(Oc2cc(C)cc(C)c2)c3=O)cc1 ZINC000000957164 568646020 /nfs/dbraw/zinc/64/60/20/568646020.db2.gz MFQZIISQWIBEDY-UHFFFAOYSA-N 0 0 430.456 5.568 50 0 IKAARN COc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000000958070 568646075 /nfs/dbraw/zinc/64/60/75/568646075.db2.gz ZWIOQTQCMJFAFE-UHFFFAOYSA-N 0 0 430.529 5.301 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(-c2csc(Nc3cccc(OC)c3)n2)c1)c1ccccc1 ZINC000000961065 568646686 /nfs/dbraw/zinc/64/66/86/568646686.db2.gz WTCOPVFXIIZVHU-QHCPKHFHSA-N 0 0 443.572 6.695 50 0 IKAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000969894 568647309 /nfs/dbraw/zinc/64/73/09/568647309.db2.gz UGBBWRMDBUNWAC-ZEQRLZLVSA-N 0 0 444.897 5.592 50 0 IKAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O 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ZINC000001056402 568654061 /nfs/dbraw/zinc/65/40/61/568654061.db2.gz RULUFLJKINSKMQ-UHFFFAOYSA-N 0 0 440.618 5.634 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccs3)nc3ccccc31)CCC2 ZINC000001049609 568654210 /nfs/dbraw/zinc/65/42/10/568654210.db2.gz VCZKGLSKPZERBZ-UHFFFAOYSA-N 0 0 434.542 5.552 50 0 IKAARN COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000001061692 568655771 /nfs/dbraw/zinc/65/57/71/568655771.db2.gz TWANAVBGNMNUGF-UHFFFAOYSA-N 0 0 449.557 5.288 50 0 IKAARN O=C(CSc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1)NC1CC1 ZINC000001061742 568655880 /nfs/dbraw/zinc/65/58/80/568655880.db2.gz QPQIMQJXGWSLPU-UHFFFAOYSA-N 0 0 433.558 5.073 50 0 IKAARN CC(C)(C)c1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000025392537 568656268 /nfs/dbraw/zinc/65/62/68/568656268.db2.gz RJFQCRCPGRJLBS-UHFFFAOYSA-N 0 0 437.609 5.492 50 0 IKAARN Cc1[nH]c2c(cccc2C)c1CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000001075059 568656534 /nfs/dbraw/zinc/65/65/34/568656534.db2.gz WGQPKKQGHBNNIP-UHFFFAOYSA-N 0 0 429.303 5.170 50 0 IKAARN O=C(Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1)c1scc2c1OCCO2 ZINC000001075633 568656740 /nfs/dbraw/zinc/65/67/40/568656740.db2.gz GWOXENZYKKGOLL-UHFFFAOYSA-N 0 0 448.422 5.043 50 0 IKAARN O=C1O[C@H]2C3(CCCCC3)C(=O)O[C@@]2(c2ccc(Br)cc2)C12CCCCC2 ZINC000001075653 568656771 /nfs/dbraw/zinc/65/67/71/568656771.db2.gz IBGURYAQEKKAFD-HTAPYJJXSA-N 0 0 433.342 5.028 50 0 IKAARN Cc1[nH]c2ccc(Br)cc2c1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000001072142 568657659 /nfs/dbraw/zinc/65/76/59/568657659.db2.gz MCLKKSWVWHDIPJ-UHFFFAOYSA-N 0 0 449.414 5.057 50 0 IKAARN COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)c2c1 ZINC000001072234 568657675 /nfs/dbraw/zinc/65/76/75/568657675.db2.gz MLBZFWMYSVVWMA-UHFFFAOYSA-N 0 0 426.582 5.054 50 0 IKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc3c4c(cccc42)CC3)N1Cc1ccccc1 ZINC000001101087 568657985 /nfs/dbraw/zinc/65/79/85/568657985.db2.gz SGYPOSQDNJCKRG-AREMUKBSSA-N 0 0 426.541 5.254 50 0 IKAARN Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4cccs4)cc3)c3ccccc32)cc1 ZINC000001094802 568658481 /nfs/dbraw/zinc/65/84/81/568658481.db2.gz ASXIKFWVHATRDB-UHFFFAOYSA-N 0 0 437.524 6.711 50 0 IKAARN O=c1nc(NCc2ccco2)ccn1-c1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000001094790 568658616 /nfs/dbraw/zinc/65/86/16/568658616.db2.gz ZMXWHRZOAJGFPR-UHFFFAOYSA-N 0 0 426.501 5.228 50 0 IKAARN O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N(Cc1ccccc1)c1ccccc1 ZINC000001098074 568658752 /nfs/dbraw/zinc/65/87/52/568658752.db2.gz YNMWUAFMFVALFI-QFIPXVFZSA-N 0 0 448.828 5.744 50 0 IKAARN Cc1cc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 ZINC000001098816 568658869 /nfs/dbraw/zinc/65/88/69/568658869.db2.gz IVYVJNIPKMCLCF-SANMLTNESA-N 0 0 430.573 5.638 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(OC)cc3)cc2)cc1 ZINC000001099941 568658949 /nfs/dbraw/zinc/65/89/49/568658949.db2.gz JQTFGUINQHGGQB-ZEELXFFVSA-N 0 0 428.488 5.008 50 0 IKAARN CN(c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001099293 568659046 /nfs/dbraw/zinc/65/90/46/568659046.db2.gz UOLAXRNOBCYBBV-UHFFFAOYSA-N 0 0 435.332 5.071 50 0 IKAARN Cc1cc(C)cc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)c1 ZINC000001106401 568659131 /nfs/dbraw/zinc/65/91/31/568659131.db2.gz YJVQALHLHTZZHG-UHFFFAOYSA-N 0 0 443.572 5.259 50 0 IKAARN CCOc1ccc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC ZINC000025469092 568659401 /nfs/dbraw/zinc/65/94/01/568659401.db2.gz XWBQGENIMXSFES-GOSISDBHSA-N 0 0 432.520 5.179 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)cc1 ZINC000025480297 568659780 /nfs/dbraw/zinc/65/97/80/568659780.db2.gz VBMWNXJEBZBPHG-OAQYLSRUSA-N 0 0 449.598 6.559 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000025518297 568660616 /nfs/dbraw/zinc/66/06/16/568660616.db2.gz AHZCILGLJXHBPD-IBGZPJMESA-N 0 0 436.533 5.182 50 0 IKAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000001123250 568661285 /nfs/dbraw/zinc/66/12/85/568661285.db2.gz WIECQXPISIEWNZ-QGZVFWFLSA-N 0 0 447.560 5.243 50 0 IKAARN COc1cccc(Oc2c(C)oc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)c1 ZINC000001126830 568661616 /nfs/dbraw/zinc/66/16/16/568661616.db2.gz XVZZPFFELFWOSJ-UHFFFAOYSA-N 0 0 446.455 5.025 50 0 biogenic IKAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1 ZINC000015163086 568731933 /nfs/dbraw/zinc/73/19/33/568731933.db2.gz ADQFWYZKIPUZMZ-UHFFFAOYSA-N 0 0 449.601 5.710 50 0 IKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)n2)c(OC)c1 ZINC000034717152 568732887 /nfs/dbraw/zinc/73/28/87/568732887.db2.gz RDMKSURLJZZFEK-UHFFFAOYSA-N 0 0 446.528 5.659 50 0 IKAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1)N1CCCCC1 ZINC000082087275 568735084 /nfs/dbraw/zinc/73/50/84/568735084.db2.gz PWEOXSDLUQRVKX-UHFFFAOYSA-N 0 0 436.961 5.444 50 0 IKAARN Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001185592 568736208 /nfs/dbraw/zinc/73/62/08/568736208.db2.gz NZTARMYMIFBWKA-LJQANCHMSA-N 0 0 436.817 5.311 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3Cl)nc2c1 ZINC000001186661 568736384 /nfs/dbraw/zinc/73/63/84/568736384.db2.gz ACKUNFPOWKICFR-UHFFFAOYSA-N 0 0 427.938 5.645 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccco3)nc3ccccc31)CCCC2 ZINC000001200190 568737088 /nfs/dbraw/zinc/73/70/88/568737088.db2.gz AVHCBTCXALBHOT-UHFFFAOYSA-N 0 0 446.528 5.864 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000005859844 568738181 /nfs/dbraw/zinc/73/81/81/568738181.db2.gz BTHGGKYAWTZMCO-IRXDYDNUSA-N 0 0 430.593 5.471 50 0 IKAARN O=C(OC[C@@H]1[C@@H](COC(=O)c2ccccc2Cl)C1(Cl)Cl)c1ccccc1Cl ZINC000001751527 568738425 /nfs/dbraw/zinc/73/84/25/568738425.db2.gz ZXIGIRHSXSWKBO-ZIAGYGMSSA-N 0 0 448.129 5.427 50 0 IKAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC000001770322 568739393 /nfs/dbraw/zinc/73/93/93/568739393.db2.gz XAMFYUOXIXGUBS-DIFFPNOSSA-N 0 0 438.833 5.008 50 0 IKAARN Cc1cccc(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001770972 568739396 /nfs/dbraw/zinc/73/93/96/568739396.db2.gz UDVKUUPUCVKFOG-UHFFFAOYSA-N 0 0 432.951 6.275 50 0 IKAARN CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775159 568739528 /nfs/dbraw/zinc/73/95/28/568739528.db2.gz VQRSPSZUSHSPMN-LJQANCHMSA-N 0 0 444.911 5.966 50 0 IKAARN O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3ccccc3Cl)ccc21 ZINC000001772374 568739570 /nfs/dbraw/zinc/73/95/70/568739570.db2.gz QUGSZBIHTGRNBL-UHFFFAOYSA-N 0 0 428.871 6.971 50 0 IKAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)s2)cc1 ZINC000025616957 568739857 /nfs/dbraw/zinc/73/98/57/568739857.db2.gz WWBWCQVYVGHEBZ-IBGZPJMESA-N 0 0 438.549 5.122 50 0 IKAARN Cc1ccc(-c2c3c4c(sc3nc3c2CS(=O)(=O)c2ccc(F)cc2-3)CCCC4)cc1 ZINC000005988972 568739864 /nfs/dbraw/zinc/73/98/64/568739864.db2.gz AOSNFHWMSHEZNB-UHFFFAOYSA-N 0 0 449.572 6.244 50 0 IKAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)s2)cc1 ZINC000025616952 568739913 /nfs/dbraw/zinc/73/99/13/568739913.db2.gz WWBWCQVYVGHEBZ-LJQANCHMSA-N 0 0 438.549 5.122 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006017327 568740278 /nfs/dbraw/zinc/74/02/78/568740278.db2.gz JXYNXVIPEQOLSR-UHFFFAOYSA-N 0 0 440.506 6.697 50 0 IKAARN COc1cccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000001809086 568740762 /nfs/dbraw/zinc/74/07/62/568740762.db2.gz LZUTYMPRIVKCOV-UHFFFAOYSA-N 0 0 444.556 5.610 50 0 IKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001218508 568740815 /nfs/dbraw/zinc/74/08/15/568740815.db2.gz BIPZUTOJDDHNSI-BUHFOSPRSA-N 0 0 435.936 5.119 50 0 IKAARN COc1ccccc1N1C(=O)C(Nc2ccc(C)cc2C)=C(Sc2ccc(C)cc2)C1=O ZINC000001809084 568740865 /nfs/dbraw/zinc/74/08/65/568740865.db2.gz VXJCIVPEJLXMDC-UHFFFAOYSA-N 0 0 444.556 5.610 50 0 IKAARN CC(=O)c1cnc2sc(C(=O)N(CCc3ccccc3)Cc3cccs3)c(C)c2c1 ZINC000031652992 568741434 /nfs/dbraw/zinc/74/14/34/568741434.db2.gz ZVDFONVNLLSQJW-UHFFFAOYSA-N 0 0 434.586 5.754 50 0 IKAARN O=C(c1ccccc1)c1ccc(OCc2nnc(-c3ccc(Br)s3)o2)cc1 ZINC000031679651 568741684 /nfs/dbraw/zinc/74/16/84/568741684.db2.gz OXJKKWQPLRDTEV-UHFFFAOYSA-N 0 0 441.306 5.371 50 0 IKAARN CSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000001883600 568741969 /nfs/dbraw/zinc/74/19/69/568741969.db2.gz DTCOUGVHEKAOKS-MHZLTWQESA-N 0 0 430.617 6.075 50 0 IKAARN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)nc2c1 ZINC000001883956 568742078 /nfs/dbraw/zinc/74/20/78/568742078.db2.gz JDWSDBUWPIEQHL-UHFFFAOYSA-N 0 0 449.507 5.590 50 0 IKAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 ZINC000001856935 568742081 /nfs/dbraw/zinc/74/20/81/568742081.db2.gz LAWUCKYDTNBSGW-UHFFFAOYSA-N 0 0 442.606 5.070 50 0 IKAARN CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1OC ZINC000001904505 568742161 /nfs/dbraw/zinc/74/21/61/568742161.db2.gz ZIRYCSXKXMGARR-UKTHLTGXSA-N 0 0 436.504 5.688 50 0 IKAARN CCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000001915274 568742242 /nfs/dbraw/zinc/74/22/42/568742242.db2.gz HOOKOFWXFDRMRW-CXUHLZMHSA-N 0 0 449.934 5.677 50 0 IKAARN CCN1c2ccc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cccc(c23)C1=O ZINC000001908451 568742263 /nfs/dbraw/zinc/74/22/63/568742263.db2.gz YLDDSCWTCXEWIS-UHFFFAOYSA-N 0 0 428.576 6.667 50 0 IKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c(OCC(=O)Nc3ccccc3)c(=O)c2c1 ZINC000001987745 568742385 /nfs/dbraw/zinc/74/23/85/568742385.db2.gz ZZPAPBLEUQGDGO-UHFFFAOYSA-N 0 0 429.472 5.049 50 0 IKAARN Cc1ccc(S(=O)(=O)Oc2c(C(C)C)cc(Nc3cccc(C)c3)cc2C(C)C)cc1 ZINC000002024230 568742427 /nfs/dbraw/zinc/74/24/27/568742427.db2.gz ZFRGCSMPPRCLDG-UHFFFAOYSA-N 0 0 437.605 7.062 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)c1 ZINC000002030555 568742568 /nfs/dbraw/zinc/74/25/68/568742568.db2.gz RXYUGYYRVYJRAU-UHFFFAOYSA-N 0 0 428.713 5.894 50 0 IKAARN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cc1ccc(Br)cc1 ZINC000002101242 568742780 /nfs/dbraw/zinc/74/27/80/568742780.db2.gz AXEWFGBZWUWMCZ-UHFFFAOYSA-N 0 0 449.757 5.111 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc12 ZINC000002091364 568742784 /nfs/dbraw/zinc/74/27/84/568742784.db2.gz TXAVDOOXFAQQOV-UHFFFAOYSA-N 0 0 446.550 7.351 50 0 IKAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)c4ccc(OC)cc4)ccc3c2=O)cc1 ZINC000002108080 568742829 /nfs/dbraw/zinc/74/28/29/568742829.db2.gz WTYKTAIKHYORQB-UHFFFAOYSA-N 0 0 446.455 5.173 50 0 biogenic IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCc2ccccc2)cc1 ZINC000003212755 568742992 /nfs/dbraw/zinc/74/29/92/568742992.db2.gz LAXJJIATCKGATP-UHFFFAOYSA-N 0 0 438.936 5.748 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003218031 568743121 /nfs/dbraw/zinc/74/31/21/568743121.db2.gz WIUCDZBVYHCLHV-UHFFFAOYSA-N 0 0 428.488 5.722 50 0 IKAARN CSc1nn(-c2ccc(C(=O)OCCCC(=O)c3ccccc3)cc2)c(=S)s1 ZINC000003218039 568743172 /nfs/dbraw/zinc/74/31/72/568743172.db2.gz OYZNPWXPTCCPNN-UHFFFAOYSA-N 0 0 430.576 5.205 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)c(OC)c1 ZINC000003215573 568743183 /nfs/dbraw/zinc/74/31/83/568743183.db2.gz OCJHYHQSDHFFRL-UHFFFAOYSA-N 0 0 432.501 5.872 50 0 IKAARN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000003230481 568743313 /nfs/dbraw/zinc/74/33/13/568743313.db2.gz YALVKNBFQNCLLC-HNNXBMFYSA-N 0 0 437.914 6.694 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(Br)c2cccc(Cl)c12 ZINC000003234030 568743315 /nfs/dbraw/zinc/74/33/15/568743315.db2.gz ISKZEUQGFSYCNB-CYBMUJFWSA-N 0 0 446.797 6.326 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1OC ZINC000003231503 568743328 /nfs/dbraw/zinc/74/33/28/568743328.db2.gz BFGBKMDOIWIJKQ-UHFFFAOYSA-N 0 0 442.537 5.073 50 0 IKAARN C[C@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003233154 568743336 /nfs/dbraw/zinc/74/33/36/568743336.db2.gz XJQXHLRMHUTPEJ-LURJTMIESA-N 0 0 441.492 5.186 50 0 IKAARN S=c1nc(-c2ccccc2)n(CCC(c2ccccc2)c2ccccc2)c2c1CCCC2 ZINC000003230470 568743387 /nfs/dbraw/zinc/74/33/87/568743387.db2.gz MGRAZQDIPJZMRX-UHFFFAOYSA-N 0 0 436.624 7.381 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)c(OC)c1 ZINC000003242194 568743465 /nfs/dbraw/zinc/74/34/65/568743465.db2.gz ARZDJOUCAAHXQY-UHFFFAOYSA-N 0 0 432.501 5.872 50 0 IKAARN O=C(c1ccco1)N(Cc1ccccc1)C[C@@H](O)COc1ccc2oc3ccccc3c2c1 ZINC000003243507 568743520 /nfs/dbraw/zinc/74/35/20/568743520.db2.gz OIGYVLHMWHMCMK-HXUWFJFHSA-N 0 0 441.483 5.261 50 0 IKAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003241633 568743523 /nfs/dbraw/zinc/74/35/23/568743523.db2.gz IXFQQLKYAJTFAY-UHFFFAOYSA-N 0 0 425.488 6.417 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1Br ZINC000003249768 568743664 /nfs/dbraw/zinc/74/36/64/568743664.db2.gz SLFSXNHDWBHAQT-UHFFFAOYSA-N 0 0 447.554 5.661 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000003251082 568744082 /nfs/dbraw/zinc/74/40/82/568744082.db2.gz CENHJPCIGDJZAK-UHFFFAOYSA-N 0 0 440.377 5.309 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003255785 568744091 /nfs/dbraw/zinc/74/40/91/568744091.db2.gz AFDGIUHKPYBLQV-UHFFFAOYSA-N 0 0 428.410 5.446 50 0 IKAARN O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000003260867 568744251 /nfs/dbraw/zinc/74/42/51/568744251.db2.gz GUHZBMXYLFJHSD-LJQANCHMSA-N 0 0 447.343 5.404 50 0 IKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(Cl)cc3)c2c1C ZINC000003259380 568744317 /nfs/dbraw/zinc/74/43/17/568744317.db2.gz UETORSWMPJLWAS-UHFFFAOYSA-N 0 0 439.993 6.043 50 0 IKAARN CCCCCn1c2nc3ccccc3nc2c(C(=O)OCC)c1NC(=O)c1ccccc1 ZINC000003267745 568744665 /nfs/dbraw/zinc/74/46/65/568744665.db2.gz KPJFPTUUATWEKL-UHFFFAOYSA-N 0 0 430.508 5.204 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O ZINC000003285842 568744954 /nfs/dbraw/zinc/74/49/54/568744954.db2.gz BETVTUSNYKYTTB-UHFFFAOYSA-N 0 0 436.364 5.090 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3oc4c(cccc4Cl)c3C)n2)cc1OC ZINC000003284133 568745005 /nfs/dbraw/zinc/74/50/05/568745005.db2.gz KJXNHEKIMWVEDE-UHFFFAOYSA-N 0 0 428.897 5.788 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(Oc4cccc(C(=O)NCc5ccccc5)c4)c32)C1 ZINC000003309732 568745887 /nfs/dbraw/zinc/74/58/87/568745887.db2.gz WOGVHUQPAWPXHY-MRXNPFEDSA-N 0 0 429.545 5.538 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cc1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000003325015 568745998 /nfs/dbraw/zinc/74/59/98/568745998.db2.gz ROZKEYDPTSRFBM-UHFFFAOYSA-N 0 0 427.931 6.615 50 0 IKAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(C(C)(C)C)cc1 ZINC000003320429 568746009 /nfs/dbraw/zinc/74/60/09/568746009.db2.gz ZSZCAXMPVAEQHD-KRWDZBQOSA-N 0 0 443.588 5.793 50 0 IKAARN Brc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2CCc2ccccc2)cc1 ZINC000003331334 568746236 /nfs/dbraw/zinc/74/62/36/568746236.db2.gz ATTLFRHZBYHTDH-IBGZPJMESA-N 0 0 444.398 5.221 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003332920 568746509 /nfs/dbraw/zinc/74/65/09/568746509.db2.gz NOLGIMIHKILUSS-UHFFFAOYSA-N 0 0 447.375 5.645 50 0 IKAARN Cc1cc(Br)c(NC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000003347280 568746655 /nfs/dbraw/zinc/74/66/55/568746655.db2.gz VZGFNTMNVBJPCC-UHFFFAOYSA-N 0 0 437.053 5.791 50 0 IKAARN COCCCn1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccccc1Cl ZINC000003344444 568746782 /nfs/dbraw/zinc/74/67/82/568746782.db2.gz RYJNOVPBOYHFFQ-UHFFFAOYSA-N 0 0 440.956 5.091 50 0 IKAARN CCc1cccc2c(C(=O)CSc3nnc(COc4ccccc4Cl)o3)c[nH]c21 ZINC000003354321 568746854 /nfs/dbraw/zinc/74/68/54/568746854.db2.gz AYHLXXPRBJDBNE-UHFFFAOYSA-N 0 0 427.913 5.321 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003355747 568747193 /nfs/dbraw/zinc/74/71/93/568747193.db2.gz YUQKXCUZFBOEDX-MRVPVSSYSA-N 0 0 447.800 5.623 50 0 IKAARN Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000003356281 568747219 /nfs/dbraw/zinc/74/72/19/568747219.db2.gz ARTWEBIKRMDPRU-UHFFFAOYSA-N 0 0 448.581 6.727 50 0 IKAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccc(OC)c2)cc1 ZINC000003364132 568747289 /nfs/dbraw/zinc/74/72/89/568747289.db2.gz LWHJBHVKBLOEGZ-JXMROGBWSA-N 0 0 429.545 5.757 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccccc2)cc1 ZINC000044086022 568747353 /nfs/dbraw/zinc/74/73/53/568747353.db2.gz CIUUAQPQSOOMNX-UHFFFAOYSA-N 0 0 436.562 5.044 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000044086016 568747406 /nfs/dbraw/zinc/74/74/06/568747406.db2.gz GBDAJZGUZYZEDB-UHFFFAOYSA-N 0 0 449.963 5.932 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1nccs1 ZINC000044087485 568747571 /nfs/dbraw/zinc/74/75/71/568747571.db2.gz YJEPLERBXHDFEP-UHFFFAOYSA-N 0 0 426.954 5.380 50 0 IKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(F)cc2)n1 ZINC000044087095 568747589 /nfs/dbraw/zinc/74/75/89/568747589.db2.gz RUFQRNLCAABEFD-UHFFFAOYSA-N 0 0 438.553 5.483 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1 ZINC000003368311 568747615 /nfs/dbraw/zinc/74/76/15/568747615.db2.gz IYBKUNPXULGTDS-UHFFFAOYSA-N 0 0 447.556 6.203 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087578 568747717 /nfs/dbraw/zinc/74/77/17/568747717.db2.gz LXPBWYDDHIQNAA-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087726 568747743 /nfs/dbraw/zinc/74/77/43/568747743.db2.gz AXWKZVXFJCQRTG-UHFFFAOYSA-N 0 0 436.455 5.222 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044088018 568747761 /nfs/dbraw/zinc/74/77/61/568747761.db2.gz XGDCRBJXFNWYLW-UHFFFAOYSA-N 0 0 449.498 5.363 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000044087910 568747778 /nfs/dbraw/zinc/74/77/78/568747778.db2.gz PYRZKTGVXIDHGZ-UHFFFAOYSA-N 0 0 447.482 5.152 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCc2ccc(F)cc2)cc1 ZINC000044086620 568747873 /nfs/dbraw/zinc/74/78/73/568747873.db2.gz PGGNFPWDIFRCMJ-UHFFFAOYSA-N 0 0 443.374 7.586 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000044086421 568747938 /nfs/dbraw/zinc/74/79/38/568747938.db2.gz KRZAGDOMGZTCPJ-UHFFFAOYSA-N 0 0 425.557 5.529 50 0 IKAARN NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088247 568747947 /nfs/dbraw/zinc/74/79/47/568747947.db2.gz NBBXXCKCSNXEHW-UHFFFAOYSA-N 0 0 444.290 5.025 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCC(=O)NC(C)C)cc1 ZINC000044086616 568747980 /nfs/dbraw/zinc/74/79/80/568747980.db2.gz ZXBMEYJVEFZASY-UHFFFAOYSA-N 0 0 434.392 5.771 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000044086971 568748087 /nfs/dbraw/zinc/74/80/87/568748087.db2.gz LUCUEUUVWCEEEU-UHFFFAOYSA-N 0 0 437.927 6.063 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)N1CCc2ccccc21 ZINC000044086959 568748106 /nfs/dbraw/zinc/74/81/06/568748106.db2.gz PBIYYGPGIMJMKO-UHFFFAOYSA-N 0 0 429.520 5.360 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000044087025 568748115 /nfs/dbraw/zinc/74/81/15/568748115.db2.gz IRBGXBHVRQWSNX-UHFFFAOYSA-N 0 0 433.508 5.418 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1nncs1)c1ccccc1 ZINC000003405619 568748670 /nfs/dbraw/zinc/74/86/70/568748670.db2.gz IVBWZOMSIZKUPK-AWEZNQCLSA-N 0 0 429.876 5.682 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cc2ccccc2o1 ZINC000003422486 568748868 /nfs/dbraw/zinc/74/88/68/568748868.db2.gz ACFXGYNZPQRXQY-UHFFFAOYSA-N 0 0 426.881 5.139 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(C)c1 ZINC000003426882 568748892 /nfs/dbraw/zinc/74/88/92/568748892.db2.gz XTXBDHBGTJTUQA-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN COc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(OC)c3)C2)c1 ZINC000044166919 568749307 /nfs/dbraw/zinc/74/93/07/568749307.db2.gz STWPCIFBZSCIKZ-UHFFFAOYSA-N 0 0 445.544 5.630 50 0 IKAARN CCC12C[C@H]3C[C@@H](C1)CC(P(NC(=O)c1ccccc1)NC(=O)c1ccccc1)(C3)C2 ZINC000012576014 568750699 /nfs/dbraw/zinc/75/06/99/568750699.db2.gz BCHFGOKJXOIAGS-ADXLDGDMSA-N 0 0 434.520 5.907 50 0 IKAARN O=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)OCO2 ZINC000003581541 568751079 /nfs/dbraw/zinc/75/10/79/568751079.db2.gz GQKWSTTWVIJFNG-UHFFFAOYSA-N 0 0 434.492 5.288 50 0 IKAARN FC(F)(F)c1cccc(COc2ccc(-c3nnn(Cc4ccccc4Cl)n3)cc2)c1 ZINC000003629068 568751973 /nfs/dbraw/zinc/75/19/73/568751973.db2.gz NVDNTHWCBAKOHA-UHFFFAOYSA-N 0 0 444.844 5.640 50 0 IKAARN O=C(OCc1ccccc1Cl)c1cccc(-c2nnn(Cc3ccccc3Cl)n2)c1 ZINC000003627341 568752005 /nfs/dbraw/zinc/75/20/05/568752005.db2.gz CJJGZTHTQLVSGO-UHFFFAOYSA-N 0 0 439.302 5.052 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000003636624 568752037 /nfs/dbraw/zinc/75/20/37/568752037.db2.gz OAIYXZBHZNZRGH-VGOFRKELSA-N 0 0 448.588 5.376 50 0 IKAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000003636725 568752295 /nfs/dbraw/zinc/75/22/95/568752295.db2.gz NHAJZQUDKTVZIR-AZUAARDMSA-N 0 0 428.598 5.222 50 0 IKAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)o1 ZINC000003642035 568752444 /nfs/dbraw/zinc/75/24/44/568752444.db2.gz GZNSAMUSFNUHTB-UHFFFAOYSA-N 0 0 430.957 5.517 50 0 IKAARN CN(C)c1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000003645166 568752560 /nfs/dbraw/zinc/75/25/60/568752560.db2.gz GTGAFMBRLKJPPG-UHFFFAOYSA-N 0 0 438.500 5.021 50 0 IKAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 ZINC000003648983 568752655 /nfs/dbraw/zinc/75/26/55/568752655.db2.gz SZKMFKZHLGDPTQ-JWGURIENSA-N 0 0 433.577 5.058 50 0 IKAARN Cc1ccc2c(Cl)c(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)sc2c1 ZINC000003655333 568752923 /nfs/dbraw/zinc/75/29/23/568752923.db2.gz DNOYVTQLLKDWRL-UHFFFAOYSA-N 0 0 445.927 7.093 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Br)cc2)cc1 ZINC000003655349 568753036 /nfs/dbraw/zinc/75/30/36/568753036.db2.gz HCZYMEUIIKYPFW-UHFFFAOYSA-N 0 0 434.289 5.987 50 0 IKAARN CC(C)COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000003655483 568753100 /nfs/dbraw/zinc/75/31/00/568753100.db2.gz DXRBEPOQKBMJJJ-UHFFFAOYSA-N 0 0 431.463 6.090 50 0 IKAARN Cc1cc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc(C)c1Cl ZINC000003655491 568753102 /nfs/dbraw/zinc/75/31/02/568753102.db2.gz BRHSCKHSBURASX-QGZVFWFLSA-N 0 0 447.918 6.340 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000003655624 568753121 /nfs/dbraw/zinc/75/31/21/568753121.db2.gz WSZFYQQFMBCSIH-LJQANCHMSA-N 0 0 441.527 6.502 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c1 ZINC000003655561 568753123 /nfs/dbraw/zinc/75/31/23/568753123.db2.gz JRXBSZFCVUZCGK-UHFFFAOYSA-N 0 0 447.918 6.748 50 0 IKAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)c1 ZINC000003655604 568753139 /nfs/dbraw/zinc/75/31/39/568753139.db2.gz BOZZUFXJVIYEFN-LJQANCHMSA-N 0 0 441.527 6.502 50 0 IKAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c1 ZINC000003655496 568753170 /nfs/dbraw/zinc/75/31/70/568753170.db2.gz AAOYVHBEOXSFGX-KRWDZBQOSA-N 0 0 447.918 6.340 50 0 IKAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655537 568753172 /nfs/dbraw/zinc/75/31/72/568753172.db2.gz RNRJAUIKCOJUQP-CQSZACIVSA-N 0 0 437.854 5.862 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000003655499 568753184 /nfs/dbraw/zinc/75/31/84/568753184.db2.gz XMABQDXMLZOPTQ-IBGZPJMESA-N 0 0 427.500 5.995 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)c1 ZINC000003655562 568753190 /nfs/dbraw/zinc/75/31/90/568753190.db2.gz LXDOUOSLWDYJIQ-UHFFFAOYSA-N 0 0 431.463 6.234 50 0 IKAARN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658661 568753301 /nfs/dbraw/zinc/75/33/01/568753301.db2.gz PIMCEMQGDVVKQP-FQEVSTJZSA-N 0 0 435.524 5.660 50 0 IKAARN Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000003658651 568753308 /nfs/dbraw/zinc/75/33/08/568753308.db2.gz YMIHCNKXXBDBNI-UHFFFAOYSA-N 0 0 429.495 6.658 50 0 IKAARN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658692 568753353 /nfs/dbraw/zinc/75/33/53/568753353.db2.gz CEZLQFJMEAELHI-FQEVSTJZSA-N 0 0 435.524 5.660 50 0 IKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2Cl)cc1 ZINC000003658653 568753415 /nfs/dbraw/zinc/75/34/15/568753415.db2.gz HLPXKYHUYAVPJL-UHFFFAOYSA-N 0 0 445.950 7.172 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000003664325 568753622 /nfs/dbraw/zinc/75/36/22/568753622.db2.gz KMTPDJUVBLZXOO-UHFFFAOYSA-N 0 0 437.724 6.570 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2C)cc1 ZINC000003658761 568753629 /nfs/dbraw/zinc/75/36/29/568753629.db2.gz JGWGIDULHWTSLP-UHFFFAOYSA-N 0 0 437.568 6.697 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 ZINC000003666200 568753891 /nfs/dbraw/zinc/75/38/91/568753891.db2.gz BAAKUUZTYJLECB-UHFFFAOYSA-N 0 0 432.614 7.138 50 0 IKAARN Cc1ccccc1NC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[C@H](C)C2 ZINC000003672095 568754086 /nfs/dbraw/zinc/75/40/86/568754086.db2.gz UFZJEVSUXGBQNU-HNNXBMFYSA-N 0 0 435.618 6.243 50 0 IKAARN O=C(c1cc(-c2ccccc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 ZINC000003669714 568754127 /nfs/dbraw/zinc/75/41/27/568754127.db2.gz RRZJAZKBSDQSDT-UHFFFAOYSA-N 0 0 430.572 8.097 50 0 IKAARN CC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 ZINC000019164968 568754266 /nfs/dbraw/zinc/75/42/66/568754266.db2.gz VDJIEXSFOYFOSM-UHFFFAOYSA-N 0 0 440.455 5.007 50 0 IKAARN COc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(Cl)cc3)n2)cc1 ZINC000003765704 568754281 /nfs/dbraw/zinc/75/42/81/568754281.db2.gz CSLQSUDURSUMHZ-UHFFFAOYSA-N 0 0 435.858 6.344 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2nnn(-c3ccc(F)cc3)c2C)C1(C)C ZINC000003765631 568754296 /nfs/dbraw/zinc/75/42/96/568754296.db2.gz MTWGQVTVDNWZAU-NFBKMPQASA-N 0 0 445.542 5.064 50 0 IKAARN CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000003765389 568754455 /nfs/dbraw/zinc/75/44/55/568754455.db2.gz LMHWEAOCEJXPKR-UHFFFAOYSA-N 0 0 433.430 6.219 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)c3cccc(OCCC(C)C)c3)n2)c2ccccc12 ZINC000003767970 568754480 /nfs/dbraw/zinc/75/44/80/568754480.db2.gz POLHXSAVFSXGNY-UHFFFAOYSA-N 0 0 430.573 6.949 50 0 IKAARN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000003764389 568754482 /nfs/dbraw/zinc/75/44/82/568754482.db2.gz HZKBLFFPLGDEPX-UNOMPAQXSA-N 0 0 441.961 6.629 50 0 IKAARN CCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000003771732 568754614 /nfs/dbraw/zinc/75/46/14/568754614.db2.gz ZHOWVWYPCUTICM-MHZLTWQESA-N 0 0 432.633 6.269 50 0 IKAARN FC(F)(F)c1cnc(NNC(=S)Nc2cc(Cl)cc(C(F)(F)F)c2)c(Cl)c1 ZINC000003771035 568754616 /nfs/dbraw/zinc/75/46/16/568754616.db2.gz HHSOJQAXEACPEZ-UHFFFAOYSA-N 0 0 449.207 5.740 50 0 IKAARN c1ccc(N(c2ccccc2)c2nc(-n3nnc4ccccc43)nc(N3CCCCC3)n2)cc1 ZINC000003772094 568754619 /nfs/dbraw/zinc/75/46/19/568754619.db2.gz GKKHEZWFHBCKDK-UHFFFAOYSA-N 0 0 448.534 5.066 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000003771733 568754632 /nfs/dbraw/zinc/75/46/32/568754632.db2.gz WNBYJUYNDCVARO-MUUNZHRXSA-N 0 0 446.660 6.659 50 0 IKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C(c1ccccc1)c1ccccc1 ZINC000015317948 568758155 /nfs/dbraw/zinc/75/81/55/568758155.db2.gz ZJPWKPKIGMBHTF-UHFFFAOYSA-N 0 0 439.584 5.472 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004025728 568758708 /nfs/dbraw/zinc/75/87/08/568758708.db2.gz WAVPHEOFLPWMCI-GASHUXMMSA-N 0 0 432.604 6.534 50 0 biogenic IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000004025727 568758724 /nfs/dbraw/zinc/75/87/24/568758724.db2.gz WAVPHEOFLPWMCI-QOQOOIKZSA-N 0 0 432.604 6.534 50 0 biogenic IKAARN CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000015355134 568759296 /nfs/dbraw/zinc/75/92/96/568759296.db2.gz JGGDSXQRVJRGLN-UHFFFAOYSA-N 0 0 443.543 5.619 50 0 IKAARN COc1cc(C(=O)N[C@@H](c2cccs2)c2ccccc2)ccc1OCc1ccncc1 ZINC000031915963 568759673 /nfs/dbraw/zinc/75/96/73/568759673.db2.gz PSPCGBFMDUDDJI-XMMPIXPASA-N 0 0 430.529 5.250 50 0 IKAARN CC(=O)[C@@H]1C[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 ZINC000004046866 568759891 /nfs/dbraw/zinc/75/98/91/568759891.db2.gz VGHIIJSHMNDPAA-OIFPXGRLSA-N 0 0 444.534 5.824 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c(OC)c1OC ZINC000263586921 568759897 /nfs/dbraw/zinc/75/98/97/568759897.db2.gz ZQGZABHDDHKBGH-IBGZPJMESA-N 0 0 442.515 5.190 50 0 biogenic IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000004062191 568760037 /nfs/dbraw/zinc/76/00/37/568760037.db2.gz XUGISPSHIFXEHZ-FMRUUPONSA-N 0 0 428.701 7.960 50 0 biogenic IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C ZINC000004079180 568760409 /nfs/dbraw/zinc/76/04/09/568760409.db2.gz MFXRPKFYWKDYMI-GCWMNCCDSA-N 0 0 444.637 7.499 50 0 IKAARN O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587967 568760730 /nfs/dbraw/zinc/76/07/30/568760730.db2.gz NQZVQDCUEBZEFS-IBGZPJMESA-N 0 0 436.433 6.062 50 0 IKAARN CCn1c2ccccc2c2cc([P@@](=Nc3ccccc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012639679 568761052 /nfs/dbraw/zinc/76/10/52/568761052.db2.gz STUOLAWXUNLGIB-JGCGQSQUSA-N 0 0 443.575 7.782 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1OC(F)F ZINC000078452105 568761324 /nfs/dbraw/zinc/76/13/24/568761324.db2.gz LNHNCIIGZAFWPE-UHFFFAOYSA-N 0 0 432.854 5.814 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000015419284 568761849 /nfs/dbraw/zinc/76/18/49/568761849.db2.gz YPKFSHMWLFOUEN-UHFFFAOYSA-N 0 0 448.748 5.136 50 0 IKAARN COc1cccc(NC(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1 ZINC000015398903 568761867 /nfs/dbraw/zinc/76/18/67/568761867.db2.gz VKLGOKIZRRBSJW-UHFFFAOYSA-N 0 0 435.863 5.140 50 0 IKAARN CCCN(C(=O)c1cc2c(nc3ccccn3c2=O)s1)c1ccc(Cl)c(Cl)c1 ZINC000015441499 568762342 /nfs/dbraw/zinc/76/23/42/568762342.db2.gz GTENWCPJTWQMEY-UHFFFAOYSA-N 0 0 432.332 5.273 50 0 IKAARN CCCN(C(=O)c1cc2c(nc3ccccn3c2=O)s1)c1cc(Cl)cc(Cl)c1 ZINC000015441496 568762346 /nfs/dbraw/zinc/76/23/46/568762346.db2.gz WDBJUYOQOZDZAO-UHFFFAOYSA-N 0 0 432.332 5.273 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)c3ccccc3)c2c2c1CCCC2 ZINC000001236815 568772706 /nfs/dbraw/zinc/77/27/06/568772706.db2.gz INAUSCZFAHYHKG-UHFFFAOYSA-N 0 0 433.602 6.217 50 0 IKAARN C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N(C)Cc1ccccc1N1CCCC1 ZINC000012651014 568774223 /nfs/dbraw/zinc/77/42/23/568774223.db2.gz IXOJOGRGSKXZBT-GOSISDBHSA-N 0 0 444.604 5.445 50 0 IKAARN CCSc1nc2sc3c(c2c2nnc(SCc4ccc(OC)cc4)n21)CCCC3 ZINC000001240726 568774489 /nfs/dbraw/zinc/77/44/89/568774489.db2.gz PGCZCQZXIIYENU-UHFFFAOYSA-N 0 0 442.635 5.631 50 0 IKAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000001239987 568774569 /nfs/dbraw/zinc/77/45/69/568774569.db2.gz APZCHBOWEPMMQW-SANMLTNESA-N 0 0 436.515 5.246 50 0 IKAARN CCOc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 ZINC000001243004 568774705 /nfs/dbraw/zinc/77/47/05/568774705.db2.gz SLMUOMQHQKEXQR-UHFFFAOYSA-N 0 0 449.601 6.137 50 0 IKAARN COc1ccc(CNC(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000004105234 568775055 /nfs/dbraw/zinc/77/50/55/568775055.db2.gz AVRJMTYOUHYKAS-NTEUORMPSA-N 0 0 441.449 5.623 50 0 IKAARN Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)c(C)c1 ZINC000001254702 568775291 /nfs/dbraw/zinc/77/52/91/568775291.db2.gz KVTNQWOLZLWHGZ-UHFFFAOYSA-N 0 0 433.602 6.273 50 0 IKAARN O=C(Nc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3 ZINC000001267817 568775456 /nfs/dbraw/zinc/77/54/56/568775456.db2.gz SSYONCBVUSJLFL-UHFFFAOYSA-N 0 0 432.608 5.708 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1 ZINC000001262880 568775463 /nfs/dbraw/zinc/77/54/63/568775463.db2.gz XFEWTDMWFVAEJS-UHFFFAOYSA-N 0 0 436.924 5.287 50 0 IKAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(Cl)c(F)cc2c1Cl ZINC000263616918 568776501 /nfs/dbraw/zinc/77/65/01/568776501.db2.gz LEWGLWQGBWPUGU-UHFFFAOYSA-N 0 0 425.095 5.820 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3C)CC2)N=C1c1ccccc1 ZINC000263617379 568777056 /nfs/dbraw/zinc/77/70/56/568777056.db2.gz NLMYVPQEEFDXTB-UHFFFAOYSA-N 0 0 426.973 5.237 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCc3ccc4c(c3)OCO4)c2c2c1CCCC2 ZINC000001288595 568777132 /nfs/dbraw/zinc/77/71/32/568777132.db2.gz ZYYSMOBVYUDMEY-UHFFFAOYSA-N 0 0 449.601 6.263 50 0 IKAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000263619338 568778009 /nfs/dbraw/zinc/77/80/09/568778009.db2.gz YEWNFPDMAACTHU-QGZVFWFLSA-N 0 0 430.361 5.030 50 0 IKAARN Cc1sc2[nH]c(S[C@H](C)C(=O)Nc3ccc(F)cc3)nc(=O)c2c1-c1ccccc1 ZINC000001290442 568778314 /nfs/dbraw/zinc/77/83/14/568778314.db2.gz IDOIALWBDAEZNE-CYBMUJFWSA-N 0 0 439.537 5.218 50 0 IKAARN CCc1cc([C@@H](c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298777 568778573 /nfs/dbraw/zinc/77/85/73/568778573.db2.gz WVNOLNHHUSNHJT-JOCHJYFZSA-N 0 0 440.996 5.638 50 0 IKAARN CCc1cc([C@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298728 568778607 /nfs/dbraw/zinc/77/86/07/568778607.db2.gz YOQZFWFHSBYJER-QFIPXVFZSA-N 0 0 440.996 5.638 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)C(Cl)(Cl)Cl ZINC000001299968 568779031 /nfs/dbraw/zinc/77/90/31/568779031.db2.gz HMFDCNBRNORLCR-UHFFFAOYSA-N 0 0 440.113 6.610 50 0 IKAARN CCCc1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000001306717 568779184 /nfs/dbraw/zinc/77/91/84/568779184.db2.gz CKVIUCXZPTUPDL-UHFFFAOYSA-N 0 0 432.593 5.698 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 ZINC000001303069 568779187 /nfs/dbraw/zinc/77/91/87/568779187.db2.gz VGXRKZULXNQDFF-UHFFFAOYSA-N 0 0 435.574 5.747 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2oc1C(C)(C)C ZINC000001303818 568779232 /nfs/dbraw/zinc/77/92/32/568779232.db2.gz SFZBISOHUKMHDG-UHFFFAOYSA-N 0 0 426.465 5.143 50 0 biogenic IKAARN Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 ZINC000025742875 568779239 /nfs/dbraw/zinc/77/92/39/568779239.db2.gz XHPCNQFIIBHLHK-LJQANCHMSA-N 0 0 448.573 5.305 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(OC)cc3)ccc2oc1-c1ccc(OC)cc1 ZINC000001318631 568779466 /nfs/dbraw/zinc/77/94/66/568779466.db2.gz FCXNVDQARYFWSA-UHFFFAOYSA-N 0 0 446.455 5.513 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3cc(C)c(C)cc3C)C2=O)c1 ZINC000001320438 568779874 /nfs/dbraw/zinc/77/98/74/568779874.db2.gz XUTUOYNCZCGMBR-MUUNZHRXSA-N 0 0 427.544 5.236 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 ZINC000001320465 568779877 /nfs/dbraw/zinc/77/98/77/568779877.db2.gz BNVKGSCCPKRCDD-HSZRJFAPSA-N 0 0 426.299 5.001 50 0 IKAARN CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 ZINC000001320593 568779882 /nfs/dbraw/zinc/77/98/82/568779882.db2.gz UHESYKXBFWZOIH-RUZDIDTESA-N 0 0 437.898 5.049 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1 ZINC000001320611 568779895 /nfs/dbraw/zinc/77/98/95/568779895.db2.gz DSPFAHSGSOIPEU-HSZRJFAPSA-N 0 0 426.299 5.001 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccccc3OC)ccc2oc1-c1ccc(OC)cc1 ZINC000001322134 568780083 /nfs/dbraw/zinc/78/00/83/568780083.db2.gz CAUQQZXHAVCQGS-UHFFFAOYSA-N 0 0 446.455 5.513 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)c1ccccc1OC)Cc1ccc(OC)cc1 ZINC000001322365 568780094 /nfs/dbraw/zinc/78/00/94/568780094.db2.gz QUEOLZCAUOXMJB-VWLOTQADSA-N 0 0 447.575 5.673 50 0 biogenic IKAARN CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccco1 ZINC000001322692 568780213 /nfs/dbraw/zinc/78/02/13/568780213.db2.gz QDGBIHPKDJYEOU-XMMPIXPASA-N 0 0 435.564 6.036 50 0 biogenic IKAARN CCC(=O)N(CC[C@H](c1ccc(OC)cc1)c1ccccc1OC)Cc1ccc(OC)cc1 ZINC000001322366 568780283 /nfs/dbraw/zinc/78/02/83/568780283.db2.gz QUEOLZCAUOXMJB-RUZDIDTESA-N 0 0 447.575 5.673 50 0 biogenic IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000032106283 568781272 /nfs/dbraw/zinc/78/12/72/568781272.db2.gz OKHOJKCULZWJJV-INIZCTEOSA-N 0 0 432.377 5.188 50 0 IKAARN CCOC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)c(Cl)c1 ZINC000004145428 568781697 /nfs/dbraw/zinc/78/16/97/568781697.db2.gz YSXLGIPVSZRIBH-UHFFFAOYSA-N 0 0 442.755 5.550 50 0 IKAARN Fc1ccccc1CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004144650 568781927 /nfs/dbraw/zinc/78/19/27/568781927.db2.gz BOLULFUKNUBBAN-UHFFFAOYSA-N 0 0 430.430 5.780 50 0 IKAARN Cc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 ZINC000004144765 568781965 /nfs/dbraw/zinc/78/19/65/568781965.db2.gz GERORZOALBZDDT-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN Fc1ccccc1-n1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1Cl ZINC000004145486 568781971 /nfs/dbraw/zinc/78/19/71/568781971.db2.gz YXSWPSLOANMDHF-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045942331 568783602 /nfs/dbraw/zinc/78/36/02/568783602.db2.gz UQUXEPXSTFGAIP-HSZRJFAPSA-N 0 0 449.890 5.130 50 0 IKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045941709 568783629 /nfs/dbraw/zinc/78/36/29/568783629.db2.gz JGQCGAAWNOWCNL-NRFANRHFSA-N 0 0 438.296 5.641 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000045942108 568783630 /nfs/dbraw/zinc/78/36/30/568783630.db2.gz JVTMPDPAWYCORX-HSZRJFAPSA-N 0 0 435.907 5.410 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000045942420 568783642 /nfs/dbraw/zinc/78/36/42/568783642.db2.gz IORNFGOOBWYWJK-NRFANRHFSA-N 0 0 438.296 5.954 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)n1ccc(-c2nc3ccccc3n2Cc2ccccc2)n1 ZINC000001383761 568784007 /nfs/dbraw/zinc/78/40/07/568784007.db2.gz QSACYGVNPVPZAR-UHFFFAOYSA-N 0 0 446.432 5.655 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000001383237 568784099 /nfs/dbraw/zinc/78/40/99/568784099.db2.gz VBPUWSOQKBHDAT-MRXNPFEDSA-N 0 0 426.756 5.078 50 0 IKAARN COc1ccc(OC)c2nc3c(cc12)CCc1c2ccccc2n(Cc2ccccc2F)c1-3 ZINC000001385147 568784261 /nfs/dbraw/zinc/78/42/61/568784261.db2.gz AQHSBOITVUOPDJ-UHFFFAOYSA-N 0 0 438.502 6.160 50 0 IKAARN O=C1[C@@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 ZINC000001384502 568784274 /nfs/dbraw/zinc/78/42/74/568784274.db2.gz KEFKLELFHRTYNR-INIZCTEOSA-N 0 0 432.389 5.150 50 0 IKAARN O=C(c1oc2ccccc2c1CS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000001388586 568784706 /nfs/dbraw/zinc/78/47/06/568784706.db2.gz PLKRLPSFPIUNOB-UHFFFAOYSA-N 0 0 444.430 5.657 50 0 IKAARN COc1cnc(SCc2ccc(Cl)cc2)nc1Oc1cccc(C(F)(F)F)c1 ZINC000001388502 568784733 /nfs/dbraw/zinc/78/47/33/568784733.db2.gz ZGBFZXZYCUSBMF-UHFFFAOYSA-N 0 0 426.847 6.242 50 0 IKAARN O=C(c1oc2ccccc2c1CS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001388587 568784755 /nfs/dbraw/zinc/78/47/55/568784755.db2.gz NYMVTFLWVDUGMV-UHFFFAOYSA-N 0 0 445.323 5.945 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000001391126 568785171 /nfs/dbraw/zinc/78/51/71/568785171.db2.gz WVYHMRNHLNGBFX-UHFFFAOYSA-N 0 0 440.343 5.187 50 0 IKAARN O=C(Nc1ccccc1)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1 ZINC000001391281 568785197 /nfs/dbraw/zinc/78/51/97/568785197.db2.gz WPNSLJKVUGBUCN-UHFFFAOYSA-N 0 0 429.328 6.434 50 0 IKAARN CC(C)Oc1cccc(NC(=O)Nc2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 ZINC000001391191 568785229 /nfs/dbraw/zinc/78/52/29/568785229.db2.gz YIPULNPZBIULCZ-UHFFFAOYSA-N 0 0 446.334 5.635 50 0 IKAARN Clc1ccc(-n2cnc(-c3ncn(-c4ccc(Cl)cc4Cl)n3)n2)c(Cl)c1 ZINC000001393870 568785540 /nfs/dbraw/zinc/78/55/40/568785540.db2.gz PGKMJJSTERPYTH-UHFFFAOYSA-N 0 0 426.094 5.129 50 0 IKAARN CCSc1nc2c(sc3nc(C)cc(C)c32)c(Oc2ccccc2C(=O)OC)n1 ZINC000001394806 568785565 /nfs/dbraw/zinc/78/55/65/568785565.db2.gz UHKZCBKTSIYSFL-UHFFFAOYSA-N 0 0 425.535 5.547 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000001400056 568785870 /nfs/dbraw/zinc/78/58/70/568785870.db2.gz GCDVDKHCPMPDDA-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)c(Cl)c1 ZINC000001396483 568786136 /nfs/dbraw/zinc/78/61/36/568786136.db2.gz BDQZKKXLTMLYMI-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN COc1ccc(Nc2nc3ccccc3c3nnc(-c4ccc(Br)cc4)n32)cc1 ZINC000001400149 568786169 /nfs/dbraw/zinc/78/61/69/568786169.db2.gz FMTJVMPBCUXLAT-UHFFFAOYSA-N 0 0 446.308 5.459 50 0 IKAARN CCOC(=O)c1cnc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2c1Cl ZINC000001400644 568786246 /nfs/dbraw/zinc/78/62/46/568786246.db2.gz ASQFPWMQWMEBHT-UHFFFAOYSA-N 0 0 431.197 5.924 50 0 IKAARN O=C(Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000001400790 568786285 /nfs/dbraw/zinc/78/62/85/568786285.db2.gz HNWBIIFMQOCTHC-UHFFFAOYSA-N 0 0 442.371 6.274 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c(Cl)c1 ZINC000001401513 568786415 /nfs/dbraw/zinc/78/64/15/568786415.db2.gz SIQIUDIMGIVGPU-UHFFFAOYSA-N 0 0 431.966 5.288 50 0 IKAARN Cn1nc(C(F)(F)F)c(CNC(=O)c2cccc(C(F)(F)F)c2)c1Oc1ccccc1 ZINC000001402144 568786734 /nfs/dbraw/zinc/78/67/34/568786734.db2.gz IMRIFGZMAZSNOS-UHFFFAOYSA-N 0 0 443.347 5.180 50 0 IKAARN CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3cccc(C(F)(F)F)c3)c(O)cc21 ZINC000001405274 568786892 /nfs/dbraw/zinc/78/68/92/568786892.db2.gz IJHPDBXICIFLJD-UHFFFAOYSA-N 0 0 443.421 6.159 50 0 IKAARN O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001405338 568786904 /nfs/dbraw/zinc/78/69/04/568786904.db2.gz ONXZTQLSJYFECO-UHFFFAOYSA-N 0 0 449.297 6.240 50 0 IKAARN O=CNc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000001405011 568786932 /nfs/dbraw/zinc/78/69/32/568786932.db2.gz USWPMENKQNZQBF-UHFFFAOYSA-N 0 0 443.301 5.133 50 0 IKAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)c1 ZINC000083973751 568787556 /nfs/dbraw/zinc/78/75/56/568787556.db2.gz MOOGGLNLGMTSCW-TZIWHRDSSA-N 0 0 443.469 5.485 50 0 IKAARN CSc1ccc(Cl)c(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000002762025 568789025 /nfs/dbraw/zinc/78/90/25/568789025.db2.gz JXBWKAMWDDHLHJ-UHFFFAOYSA-N 0 0 426.756 5.866 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(CNc3ccccc3)cc2)c2ccccc2)cc1 ZINC000002751332 568789020 /nfs/dbraw/zinc/78/90/20/568789020.db2.gz ZOWSSBAJDUSGBF-NDEPHWFRSA-N 0 0 435.523 6.388 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)cc1OC ZINC000001413624 568790209 /nfs/dbraw/zinc/79/02/09/568790209.db2.gz ZYJVKAMOTGDXOP-UHFFFAOYSA-N 0 0 431.439 5.699 50 0 IKAARN COc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 ZINC000001415869 568790554 /nfs/dbraw/zinc/79/05/54/568790554.db2.gz HNEZTKIDMAZXRO-UHFFFAOYSA-N 0 0 427.327 5.016 50 0 IKAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1O ZINC000001416523 568790596 /nfs/dbraw/zinc/79/05/96/568790596.db2.gz CBDCBUXCYQFIOL-NVMNQCDNSA-N 0 0 448.338 5.098 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025900076 568790844 /nfs/dbraw/zinc/79/08/44/568790844.db2.gz BFXYSUVVUGHRGQ-OZXSUGGESA-N 0 0 428.557 5.186 50 0 IKAARN Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000008386287 568793158 /nfs/dbraw/zinc/79/31/58/568793158.db2.gz LLORFBORMOJBGD-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN O=C1C(Nc2cccc(C(F)(F)F)c2)=C2CCCC=C2N1c1cccc(C(F)(F)F)c1 ZINC000001422860 568793409 /nfs/dbraw/zinc/79/34/09/568793409.db2.gz FBPUVAXCXCEKOK-UHFFFAOYSA-N 0 0 438.371 6.505 50 0 IKAARN CCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C[C@@H](C)CC ZINC000004781016 568793955 /nfs/dbraw/zinc/79/39/55/568793955.db2.gz LJIFXAOVVHMLES-NRFANRHFSA-N 0 0 428.642 5.732 50 0 IKAARN CC(C)(C)C(=O)N1CCC(C(=O)N(c2cccc(Br)c2)C2CCCCC2)CC1 ZINC000084140013 568794767 /nfs/dbraw/zinc/79/47/67/568794767.db2.gz PGFJGRPQADLYPC-UHFFFAOYSA-N 0 0 449.433 5.400 50 0 IKAARN Cc1nn2c(CN(C(=O)c3ccccc3Cl)c3ccccc3)nnc2c2ccccc12 ZINC000001431646 568794858 /nfs/dbraw/zinc/79/48/58/568794858.db2.gz XHDUWXBHHRQOOM-UHFFFAOYSA-N 0 0 427.895 5.086 50 0 IKAARN Cc1ccc(C(=O)C2CCN(C(=O)c3csc(-c4ccc(Cl)s4)n3)CC2)cc1 ZINC000084148612 568795188 /nfs/dbraw/zinc/79/51/88/568795188.db2.gz IUSSOKNVOXTXIU-UHFFFAOYSA-N 0 0 430.982 5.569 50 0 IKAARN Cc1noc(C)c1CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000012752672 568795880 /nfs/dbraw/zinc/79/58/80/568795880.db2.gz GQPSBLJAPSSQGS-UHFFFAOYSA-N 0 0 432.593 6.424 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2F)cc1 ZINC000004212778 568797044 /nfs/dbraw/zinc/79/70/44/568797044.db2.gz BTFMJVVBXLGAIH-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCC[C@@H](C(F)(F)F)C1 ZINC000084358108 568797121 /nfs/dbraw/zinc/79/71/21/568797121.db2.gz ZPDNXDNJMGCOEB-LLVKDONJSA-N 0 0 447.226 5.190 50 0 IKAARN O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000084374364 568797469 /nfs/dbraw/zinc/79/74/69/568797469.db2.gz ODBLYDLOPXMDGU-AWEZNQCLSA-N 0 0 425.000 5.402 50 0 IKAARN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000084392823 568797661 /nfs/dbraw/zinc/79/76/61/568797661.db2.gz SCBCPRWADSDPSV-QMTHXVAHSA-N 0 0 438.113 5.484 50 0 IKAARN C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1nc2ccccc2n1C(F)F ZINC000084667844 568799795 /nfs/dbraw/zinc/79/97/95/568799795.db2.gz HTIKKYOBIJUTPH-ZCFIWIBFSA-N 0 0 435.645 5.287 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccc4oc(C)nc4c3)c3ccccc3n2)cc1OC ZINC000015625460 568799973 /nfs/dbraw/zinc/79/99/73/568799973.db2.gz RBBFZFMLHUNHPT-UHFFFAOYSA-N 0 0 439.471 5.621 50 0 IKAARN CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734899 568800646 /nfs/dbraw/zinc/80/06/46/568800646.db2.gz OVLSPNRINHVQRM-QGZVFWFLSA-N 0 0 446.370 5.167 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3ccccc3C)n2)cc1 ZINC000015671167 568802303 /nfs/dbraw/zinc/80/23/03/568802303.db2.gz PPGSWQQLGPLNST-UHFFFAOYSA-N 0 0 425.488 5.389 50 0 IKAARN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCC[C@H]1c1ccccc1F ZINC000015671025 568802377 /nfs/dbraw/zinc/80/23/77/568802377.db2.gz DOECBCCNWTXFJJ-KRWDZBQOSA-N 0 0 444.388 5.125 50 0 IKAARN COc1cccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccc(Cl)cc2)c1 ZINC000015671464 568802810 /nfs/dbraw/zinc/80/28/10/568802810.db2.gz GKNMQUDQKWHFOT-UHFFFAOYSA-N 0 0 429.907 5.449 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1C ZINC000015672672 568803149 /nfs/dbraw/zinc/80/31/49/568803149.db2.gz YKXFHHSDWWKWER-OWWOZPERSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1C ZINC000015672674 568803152 /nfs/dbraw/zinc/80/31/52/568803152.db2.gz YKXFHHSDWWKWER-ZZTRNUCDSA-N 0 0 449.620 5.434 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000015672727 568803198 /nfs/dbraw/zinc/80/31/98/568803198.db2.gz AKKRPXRETLQFBW-SANMLTNESA-N 0 0 449.620 5.347 50 0 IKAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(C2CCCC2)C3=O)s1 ZINC000015673110 568803285 /nfs/dbraw/zinc/80/32/85/568803285.db2.gz JNNAUOXQJZOCBL-VWLOTQADSA-N 0 0 441.641 5.261 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c(C)c1 ZINC000015672962 568803343 /nfs/dbraw/zinc/80/33/43/568803343.db2.gz JRBSBZRWFFYLSK-AREMUKBSSA-N 0 0 449.620 5.578 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015672846 568803346 /nfs/dbraw/zinc/80/33/46/568803346.db2.gz TVSDTYKYGXVHAI-SANMLTNESA-N 0 0 449.620 5.659 50 0 IKAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(c2ccc(C)cc2)C3=O)s1 ZINC000015673217 568803356 /nfs/dbraw/zinc/80/33/56/568803356.db2.gz YXIXZBQGEFDRMR-SANMLTNESA-N 0 0 449.620 5.442 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675467 568803705 /nfs/dbraw/zinc/80/37/05/568803705.db2.gz LIQGPJQEMCSCGX-SANMLTNESA-N 0 0 433.552 5.191 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(c2cccc(C)c2C)C3=O)o1 ZINC000015675883 568803904 /nfs/dbraw/zinc/80/39/04/568803904.db2.gz VPYWUWBTJPMUGB-MHZLTWQESA-N 0 0 447.579 5.418 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000015675507 568803914 /nfs/dbraw/zinc/80/39/14/568803914.db2.gz JOXQCAROHCQXTR-HHHXNRCGSA-N 0 0 447.579 5.499 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(c2ccc(C)c(C)c2)C3=O)o1 ZINC000015675907 568804023 /nfs/dbraw/zinc/80/40/23/568804023.db2.gz WPCCIHDZJXMFNO-MHZLTWQESA-N 0 0 447.579 5.418 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(c2cc(C)cc(C)c2)C3=O)o1 ZINC000015675911 568804025 /nfs/dbraw/zinc/80/40/25/568804025.db2.gz SYIAERWLLGWJGA-MHZLTWQESA-N 0 0 447.579 5.418 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000015676991 568804308 /nfs/dbraw/zinc/80/43/08/568804308.db2.gz IBOCUSIGEWVHNF-MUUNZHRXSA-N 0 0 443.591 5.516 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678206 568804749 /nfs/dbraw/zinc/80/47/49/568804749.db2.gz LCBQBPKSRMVQAW-SANMLTNESA-N 0 0 439.600 5.238 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nc3cccnc3n2Cc2cccc(F)c2)cc1 ZINC000015679807 568805576 /nfs/dbraw/zinc/80/55/76/568805576.db2.gz KFMPXQFNBUMKGH-QGZVFWFLSA-N 0 0 448.567 5.439 50 0 IKAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015679634 568805722 /nfs/dbraw/zinc/80/57/22/568805722.db2.gz UXSXWJDVSZTZCJ-NDEPHWFRSA-N 0 0 449.639 5.645 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1 ZINC000015682128 568806822 /nfs/dbraw/zinc/80/68/22/568806822.db2.gz OVICUJZKXDTIAV-UHFFFAOYSA-N 0 0 442.515 5.476 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)c1 ZINC000015682129 568806845 /nfs/dbraw/zinc/80/68/45/568806845.db2.gz LDCVUAXJOKVTBP-UHFFFAOYSA-N 0 0 442.515 5.476 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682116 568806888 /nfs/dbraw/zinc/80/68/88/568806888.db2.gz PVMVZJKJBMYTTM-LJQANCHMSA-N 0 0 426.516 6.028 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)nc1COc1ccccc1 ZINC000015682080 568806900 /nfs/dbraw/zinc/80/69/00/568806900.db2.gz IOXZKJDIFMLQKW-LJQANCHMSA-N 0 0 426.516 5.763 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)cc1 ZINC000015682109 568806927 /nfs/dbraw/zinc/80/69/27/568806927.db2.gz OUDWOUYVJSWADI-UHFFFAOYSA-N 0 0 442.515 6.188 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1 ZINC000015682105 568806973 /nfs/dbraw/zinc/80/69/73/568806973.db2.gz VRIZDVPEYOQJOP-UHFFFAOYSA-N 0 0 426.516 6.352 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nc1CSc1ccccc1 ZINC000015682220 568807021 /nfs/dbraw/zinc/80/70/21/568807021.db2.gz BNLOZGFMNCODNW-UHFFFAOYSA-N 0 0 428.557 6.181 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682179 568807024 /nfs/dbraw/zinc/80/70/24/568807024.db2.gz ZBMAIVBYCZVIIS-UHFFFAOYSA-N 0 0 442.584 6.223 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)nc1CSc1ccccc1 ZINC000015682236 568807026 /nfs/dbraw/zinc/80/70/26/568807026.db2.gz XPRRYGAEYJEAJZ-UHFFFAOYSA-N 0 0 428.557 6.811 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682174 568807030 /nfs/dbraw/zinc/80/70/30/568807030.db2.gz NEGNFVKZOFKCQT-IBGZPJMESA-N 0 0 442.584 6.742 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)nc1CSc1ccccc1 ZINC000015682222 568807060 /nfs/dbraw/zinc/80/70/60/568807060.db2.gz HMYPJUYXALWFPK-UHFFFAOYSA-N 0 0 428.557 6.811 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682162 568807106 /nfs/dbraw/zinc/80/71/06/568807106.db2.gz OENHNTWFQZENGL-UHFFFAOYSA-N 0 0 428.557 6.181 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682207 568807117 /nfs/dbraw/zinc/80/71/17/568807117.db2.gz KOAOAOAEGNFPQK-UHFFFAOYSA-N 0 0 446.547 6.320 50 0 IKAARN Cc1c2cc(NC(=O)c3ccccc3Br)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729524 568813450 /nfs/dbraw/zinc/81/34/50/568813450.db2.gz MADXLHWORCGRMH-UHFFFAOYSA-N 0 0 448.316 6.295 50 0 IKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)cc1OC ZINC000015729395 568813478 /nfs/dbraw/zinc/81/34/78/568813478.db2.gz MBUSHCQFWJGMPE-UHFFFAOYSA-N 0 0 433.435 5.381 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)cc1OC ZINC000015729414 568813483 /nfs/dbraw/zinc/81/34/83/568813483.db2.gz ZJLBFIQPMRPWMK-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN COc1cccc2c(NC(=O)/C=C/c3ccccc3)c(C(=O)c3ccc(Cl)cc3)oc21 ZINC000015729435 568813541 /nfs/dbraw/zinc/81/35/41/568813541.db2.gz RBZLFOKWCNUDQE-XNTDXEJSSA-N 0 0 431.875 5.978 50 0 IKAARN O=C(Nc1cc(F)ccc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000015732111 568815074 /nfs/dbraw/zinc/81/50/74/568815074.db2.gz CCXNCYBKKRIHJH-HSZRJFAPSA-N 0 0 437.877 6.279 50 0 IKAARN CCCC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000015732000 568815333 /nfs/dbraw/zinc/81/53/33/568815333.db2.gz VPDVSHBSPAKVJG-UHFFFAOYSA-N 0 0 442.610 5.230 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733388 568815642 /nfs/dbraw/zinc/81/56/42/568815642.db2.gz NSDYSRCHTJLPSR-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000015733482 568815852 /nfs/dbraw/zinc/81/58/52/568815852.db2.gz VJDZBMTXGRICOK-NRFANRHFSA-N 0 0 447.922 6.162 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1c(C)cc(C)cc1C ZINC000015733495 568815868 /nfs/dbraw/zinc/81/58/68/568815868.db2.gz BIVDOAYAQHXBRD-JOCHJYFZSA-N 0 0 441.531 6.125 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1c(C)cccc1C ZINC000015733500 568815906 /nfs/dbraw/zinc/81/59/06/568815906.db2.gz GGQFMALGTZOBPE-NRFANRHFSA-N 0 0 427.504 5.817 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1)CCCC3 ZINC000015735437 568816683 /nfs/dbraw/zinc/81/66/83/568816683.db2.gz GFFFOTMEUFGUCH-QFIPXVFZSA-N 0 0 441.547 5.720 50 0 IKAARN Cc1ccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)cc1 ZINC000015735654 568816878 /nfs/dbraw/zinc/81/68/78/568816878.db2.gz GCPASABDPLBUOQ-XMMPIXPASA-N 0 0 433.621 6.149 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCCC3 ZINC000015735593 568817087 /nfs/dbraw/zinc/81/70/87/568817087.db2.gz FQKPFQVJHFYFPB-QFIPXVFZSA-N 0 0 440.012 6.816 50 0 IKAARN O=C(NC1CCCC1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(F)c1)CCCC3 ZINC000015735477 568817100 /nfs/dbraw/zinc/81/71/00/568817100.db2.gz XEMOWIYKXSHOIR-DEOSSOPVSA-N 0 0 449.595 6.114 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)c1C ZINC000015735603 568817119 /nfs/dbraw/zinc/81/71/19/568817119.db2.gz AIHLNIDLTDBVSY-XMMPIXPASA-N 0 0 433.621 6.779 50 0 IKAARN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)c1 ZINC000001447550 568817662 /nfs/dbraw/zinc/81/76/62/568817662.db2.gz BIUBSRZFWGNIHV-LJQANCHMSA-N 0 0 438.453 5.697 50 0 IKAARN COC(=O)c1ccc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000001447881 568817677 /nfs/dbraw/zinc/81/76/77/568817677.db2.gz VBYFBEIZHSTNNB-UHFFFAOYSA-N 0 0 436.847 5.604 50 0 IKAARN COC(=O)c1ccccc1CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 ZINC000085408845 568817833 /nfs/dbraw/zinc/81/78/33/568817833.db2.gz MPZWTAQFGVEVSK-UHFFFAOYSA-N 0 0 449.963 5.590 50 0 IKAARN CCCNC(=O)[C@@H](CCC)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405330 568817835 /nfs/dbraw/zinc/81/78/35/568817835.db2.gz MJLLHDJXHCLNRZ-LJQANCHMSA-N 0 0 436.358 5.940 50 0 IKAARN COc1cccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)NCC(C)C)c1 ZINC000085409146 568817872 /nfs/dbraw/zinc/81/78/72/568817872.db2.gz BMZJPIIMCKIWLM-UHFFFAOYSA-N 0 0 441.575 5.690 50 0 IKAARN Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CCC(=O)Nc4ccccc4)n3c2)c1 ZINC000085409057 568817874 /nfs/dbraw/zinc/81/78/74/568817874.db2.gz SNHVASGWLJETJZ-UHFFFAOYSA-N 0 0 445.566 6.856 50 0 IKAARN COC(=O)c1ccccc1CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 ZINC000085412067 568818021 /nfs/dbraw/zinc/81/80/21/568818021.db2.gz QQQHKYDVEDHOQZ-UHFFFAOYSA-N 0 0 445.544 5.330 50 0 IKAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccc(F)cc1 ZINC000085412308 568818469 /nfs/dbraw/zinc/81/84/69/568818469.db2.gz ADUKFQFOALXOOA-OAQYLSRUSA-N 0 0 441.528 5.370 50 0 IKAARN O=C1O[C@H]2C=CC=C[C@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 ZINC000001452987 568818786 /nfs/dbraw/zinc/81/87/86/568818786.db2.gz VPISIZKQRYTQNU-LIRRHRJNSA-N 0 0 428.435 5.056 50 0 IKAARN COC(=O)c1ccc(COc2ccc3c(c2)oc(C)c(-c2ccccc2OC)c3=O)cc1 ZINC000001454466 568819254 /nfs/dbraw/zinc/81/92/54/568819254.db2.gz BGEAXAUDUHHHLV-UHFFFAOYSA-N 0 0 430.456 5.143 50 0 biogenic IKAARN COc1cc([C@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc(OC)c1OC ZINC000001463230 568819874 /nfs/dbraw/zinc/81/98/74/568819874.db2.gz LBTOIEPRLXKRFL-NRFANRHFSA-N 0 0 448.993 6.534 50 0 IKAARN COc1cc(C(=O)n2c3ccccc3nc2SCc2ccccc2)cc(OC)c1OC ZINC000001462101 568819879 /nfs/dbraw/zinc/81/98/79/568819879.db2.gz QPQPEKBLEUAGFN-UHFFFAOYSA-N 0 0 434.517 5.043 50 0 IKAARN Cc1oc2cc(OCC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000001464016 568820004 /nfs/dbraw/zinc/82/00/04/568820004.db2.gz MKRLISVJSWIXCY-UHFFFAOYSA-N 0 0 445.309 5.251 50 0 IKAARN CCOC(=O)c1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccc(OC)cc1 ZINC000001463868 568820023 /nfs/dbraw/zinc/82/00/23/568820023.db2.gz RVRUJBZKFOBRHW-UHFFFAOYSA-N 0 0 448.446 5.363 50 0 IKAARN CCOC(=O)c1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccccc1OC ZINC000001463863 568820032 /nfs/dbraw/zinc/82/00/32/568820032.db2.gz NORJMERQESJXIA-UHFFFAOYSA-N 0 0 448.446 5.363 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc(OC)c(OC)c2)c3=O)cc1 ZINC000001463935 568820060 /nfs/dbraw/zinc/82/00/60/568820060.db2.gz PNXWFPYPAHFNFC-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 biogenic IKAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(=O)c5ccccc5)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000247649440 568820203 /nfs/dbraw/zinc/82/02/03/568820203.db2.gz MCVIVMYFDOKJSH-NOZUYSGLSA-N 0 0 438.608 6.186 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001465548 568820264 /nfs/dbraw/zinc/82/02/64/568820264.db2.gz JFJXQSYXXAPYJF-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN CC(C)(C)c1cc(CCC(=O)Nc2c3c(nc4c2CCCC4)CCC3)cc(C(C)(C)C)c1O ZINC000006075304 568821123 /nfs/dbraw/zinc/82/11/23/568821123.db2.gz LQUIPSJIOLDWPL-UHFFFAOYSA-N 0 0 448.651 6.321 50 0 IKAARN CCCCCCc1ccc(NC(=S)N[C@@H](NC(=O)OC)C(Cl)(Cl)Cl)cc1 ZINC000006077883 568821353 /nfs/dbraw/zinc/82/13/53/568821353.db2.gz FGELJTGCOGMKPW-AWEZNQCLSA-N 0 0 440.824 5.148 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2nc3ccccc3n2C(C)C)cc1 ZINC000006079501 568821491 /nfs/dbraw/zinc/82/14/91/568821491.db2.gz ZVKUSHLVNNYMAD-UHFFFAOYSA-N 0 0 434.565 5.339 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(N)c3cc2C(=O)C1 ZINC000001471944 568821697 /nfs/dbraw/zinc/82/16/97/568821697.db2.gz KTDDSIZRDLOQBS-UHFFFAOYSA-N 0 0 434.348 5.593 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)c1 ZINC000015770959 568822571 /nfs/dbraw/zinc/82/25/71/568822571.db2.gz LPUOCFZZLGJLRF-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1c(C)cccc1C ZINC000015783555 568826946 /nfs/dbraw/zinc/82/69/46/568826946.db2.gz NVZYMHOVEGQMBP-PMACEKPBSA-N 0 0 448.592 5.068 50 0 IKAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000015783624 568827227 /nfs/dbraw/zinc/82/72/27/568827227.db2.gz HTFJGDBBWXQQCN-ONGXBYRLSA-N 0 0 448.592 5.150 50 0 IKAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000015783620 568827277 /nfs/dbraw/zinc/82/72/77/568827277.db2.gz HTFJGDBBWXQQCN-JHVJFLLYSA-N 0 0 448.592 5.150 50 0 IKAARN CCn1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)c2ccccc21 ZINC000014136763 568828644 /nfs/dbraw/zinc/82/86/44/568828644.db2.gz JRIPZERMMZFGBA-UHFFFAOYSA-N 0 0 433.581 5.287 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 ZINC000085643806 568829028 /nfs/dbraw/zinc/82/90/28/568829028.db2.gz MNNYBJIBAIHTFZ-UHFFFAOYSA-N 0 0 448.422 5.298 50 0 IKAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccccc2Cl)no1 ZINC000085644625 568829558 /nfs/dbraw/zinc/82/95/58/568829558.db2.gz VHPNLABZLIYWFF-UHFFFAOYSA-N 0 0 449.916 5.083 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649438 568830703 /nfs/dbraw/zinc/83/07/03/568830703.db2.gz GOQVZZPGUWHNCK-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN Cc1ccc2c(c1)OC[C@H](CC(=O)Nc1nc3ccccc3s1)N2Cc1ccccc1 ZINC000085648737 568830706 /nfs/dbraw/zinc/83/07/06/568830706.db2.gz IAEHEOKBUFKLCS-IBGZPJMESA-N 0 0 429.545 5.401 50 0 IKAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000085648794 568830713 /nfs/dbraw/zinc/83/07/13/568830713.db2.gz FLNSEWKZVFCSJT-GOSISDBHSA-N 0 0 433.508 5.232 50 0 IKAARN O=C(C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)NCCCc1ccccc1 ZINC000085648786 568830730 /nfs/dbraw/zinc/83/07/30/568830730.db2.gz OUQPWIGROJLUME-QHCPKHFHSA-N 0 0 434.967 5.247 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649413 568830784 /nfs/dbraw/zinc/83/07/84/568830784.db2.gz QWJCPQWNUQWHFF-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc(OC)c1 ZINC000085649641 568831066 /nfs/dbraw/zinc/83/10/66/568831066.db2.gz SVPRRZMOSYKIGB-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649518 568831082 /nfs/dbraw/zinc/83/10/82/568831082.db2.gz LTMOMVJCCRBGPR-UHFFFAOYSA-N 0 0 444.535 5.678 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1Cl ZINC000085649499 568831092 /nfs/dbraw/zinc/83/10/92/568831092.db2.gz KVYJSAHBOHRBRJ-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649512 568831101 /nfs/dbraw/zinc/83/11/01/568831101.db2.gz SADAQQARKXISRV-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN Cc1ccc(Nc2nc(C(=O)N[C@@H](C)CCc3ccccc3)cc3occc32)cc1Cl ZINC000085651205 568831841 /nfs/dbraw/zinc/83/18/41/568831841.db2.gz DMDAJAOUOGQJCX-KRWDZBQOSA-N 0 0 433.939 6.284 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)cc1OC ZINC000085651199 568831863 /nfs/dbraw/zinc/83/18/63/568831863.db2.gz LLQOMMPIPYKJBS-UHFFFAOYSA-N 0 0 435.455 5.048 50 0 IKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000001500560 568832188 /nfs/dbraw/zinc/83/21/88/568832188.db2.gz OCVRUDCZZOJCCV-UHFFFAOYSA-N 0 0 428.102 5.620 50 0 IKAARN Cc1c2cc(S(=O)(=O)Nc3ccccc3)ccc2oc1-c1nc(-c2cccc(C)c2)no1 ZINC000085654771 568834082 /nfs/dbraw/zinc/83/40/82/568834082.db2.gz QJKUGTWLNSHNJM-UHFFFAOYSA-N 0 0 445.500 5.567 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)CCc2ccc(OC)cc2)C2CCCCC2)c1C ZINC000085711334 568835007 /nfs/dbraw/zinc/83/50/07/568835007.db2.gz FCXJVYNMLURHIO-UHFFFAOYSA-N 0 0 440.584 5.111 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)c1C ZINC000085711067 568835039 /nfs/dbraw/zinc/83/50/39/568835039.db2.gz OBGSIQXDXQQBHI-UHFFFAOYSA-N 0 0 438.955 5.613 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2C)c1C ZINC000085712024 568835368 /nfs/dbraw/zinc/83/53/68/568835368.db2.gz XHVVIUOBJUYVOM-UHFFFAOYSA-N 0 0 449.551 5.360 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccc(CC)cc2)C2CCCCC2)c1C ZINC000085712261 568835370 /nfs/dbraw/zinc/83/53/70/568835370.db2.gz TXHBVJBSJFQHOM-UHFFFAOYSA-N 0 0 425.573 5.737 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2cccc(SC)c2)c1C ZINC000085712247 568835398 /nfs/dbraw/zinc/83/53/98/568835398.db2.gz NDWJJPZDPLICCA-UHFFFAOYSA-N 0 0 441.553 5.357 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cccc(Cl)c2C)C2CCCCC2)c1C ZINC000085712313 568835402 /nfs/dbraw/zinc/83/54/02/568835402.db2.gz QZSPXWCOOROYCC-UHFFFAOYSA-N 0 0 445.991 6.137 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)C(=O)Cc2cccs2)c1C ZINC000085711658 568835791 /nfs/dbraw/zinc/83/57/91/568835791.db2.gz YUGOYJDBELHXPR-UHFFFAOYSA-N 0 0 444.984 5.295 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccc(CC)cc2)c1C ZINC000085711833 568836062 /nfs/dbraw/zinc/83/60/62/568836062.db2.gz NJQRBGBCSNGJTC-UHFFFAOYSA-N 0 0 447.579 5.913 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccccc2CC)c1C ZINC000085711898 568836078 /nfs/dbraw/zinc/83/60/78/568836078.db2.gz CLZCYQOAKSLSPD-UHFFFAOYSA-N 0 0 447.579 5.913 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccc(C)cc2C)c1C ZINC000085711905 568836172 /nfs/dbraw/zinc/83/61/72/568836172.db2.gz FDPDQXHUSSDFGA-UHFFFAOYSA-N 0 0 447.579 5.968 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)OCc3ccco3)cc2)cc1)OCc1ccco1 ZINC000000640654 568836516 /nfs/dbraw/zinc/83/65/16/568836516.db2.gz VHQLRZFQTDYMKO-UHFFFAOYSA-N 0 0 446.459 5.961 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)cc1 ZINC000001464351 568836631 /nfs/dbraw/zinc/83/66/31/568836631.db2.gz MMHQSKZBZCRDDJ-UHFFFAOYSA-N 0 0 427.451 6.125 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc3ccccc3c2=O)cc1 ZINC000001129511 568836669 /nfs/dbraw/zinc/83/66/69/568836669.db2.gz RVYJUHIAFKFJMO-UHFFFAOYSA-N 0 0 449.963 5.387 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(SCc3ccc(OC)cc3)s2)cc1 ZINC000001243906 568836694 /nfs/dbraw/zinc/83/66/94/568836694.db2.gz ZLTVBJDHOQKPCA-UHFFFAOYSA-N 0 0 431.608 5.132 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019597052 568836932 /nfs/dbraw/zinc/83/69/32/568836932.db2.gz VNNNUWKZMXUHTF-UHFFFAOYSA-N 0 0 440.374 5.933 50 0 IKAARN Cc1cccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000001511622 568837334 /nfs/dbraw/zinc/83/73/34/568837334.db2.gz UJXAIRNBLSJVLK-UHFFFAOYSA-N 0 0 440.543 5.236 50 0 IKAARN CC(C)(C)c1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000001511318 568837383 /nfs/dbraw/zinc/83/73/83/568837383.db2.gz GJPKZVNHYZRYEO-SANMLTNESA-N 0 0 442.584 6.230 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(Br)c1 ZINC000001511396 568837544 /nfs/dbraw/zinc/83/75/44/568837544.db2.gz HZLXICILCDPKNK-UHFFFAOYSA-N 0 0 438.144 5.587 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1 ZINC000000712198 568837991 /nfs/dbraw/zinc/83/79/91/568837991.db2.gz ZNTURIUEWBRILG-UHFFFAOYSA-N 0 0 433.480 6.187 50 0 IKAARN COc1ccc(CNC(=O)C[C@@H](c2c[nH]c3cccc(OC)c32)c2ccc(OC)cc2)cc1 ZINC000085875485 568838120 /nfs/dbraw/zinc/83/81/20/568838120.db2.gz HDHSZSFNQUPDOE-JOCHJYFZSA-N 0 0 444.531 5.032 50 0 biogenic IKAARN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002510495 568838411 /nfs/dbraw/zinc/83/84/11/568838411.db2.gz MZUNWXATXNOQIE-UHFFFAOYSA-N 0 0 449.963 5.534 50 0 IKAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3N2)c1 ZINC000085879345 568839019 /nfs/dbraw/zinc/83/90/19/568839019.db2.gz LQVVRETYJPAIQE-XMCHAPAWSA-N 0 0 444.457 5.043 50 0 IKAARN O=C(/C=C/c1ccccc1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000001513305 568839339 /nfs/dbraw/zinc/83/93/39/568839339.db2.gz BJFNSENIJBLSQW-PSVMIJIFSA-N 0 0 447.332 5.033 50 0 IKAARN O=C(/C=C/c1ccccc1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000001513300 568839347 /nfs/dbraw/zinc/83/93/47/568839347.db2.gz BJFNSENIJBLSQW-RBZOQEBVSA-N 0 0 447.332 5.033 50 0 IKAARN O=C1[C@@H]2CCCN2[C@@H](c2cccc(Br)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000085988093 568839581 /nfs/dbraw/zinc/83/95/81/568839581.db2.gz GIXGGRCJEFTRLT-DLBZAZTESA-N 0 0 426.141 5.266 50 0 IKAARN O=C(Nc1cnc2ccccc2c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000001516034 568839586 /nfs/dbraw/zinc/83/95/86/568839586.db2.gz WLSKIEQMJJUKKF-UHFFFAOYSA-N 0 0 439.422 5.277 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)no1 ZINC000001516046 568839613 /nfs/dbraw/zinc/83/96/13/568839613.db2.gz ZIYHTLAXNKHLGA-UHFFFAOYSA-N 0 0 435.431 5.014 50 0 IKAARN NC(=O)c1c2c(sc1/N=c1\oc3ccccc3cc1-c1nc3ccccc3[nH]1)CCCC2 ZINC000001515969 568839633 /nfs/dbraw/zinc/83/96/33/568839633.db2.gz IMBWBSLIRFUMDX-OLFWJLLRSA-N 0 0 440.528 5.248 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000015821230 568839882 /nfs/dbraw/zinc/83/98/82/568839882.db2.gz RGQLDWZKKPMJAU-HSZRJFAPSA-N 0 0 431.923 5.989 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 ZINC000015822621 568839971 /nfs/dbraw/zinc/83/99/71/568839971.db2.gz GHWQXALBUUPIRA-XMMPIXPASA-N 0 0 432.976 6.331 50 0 IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000015822756 568839975 /nfs/dbraw/zinc/83/99/75/568839975.db2.gz PIMFBURSSPECPL-VWLOTQADSA-N 0 0 430.935 6.008 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000015822567 568840009 /nfs/dbraw/zinc/84/00/09/568840009.db2.gz BNCKEJDQRRUGPS-DEOSSOPVSA-N 0 0 432.976 6.331 50 0 IKAARN O=C(c1ccccc1Br)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015822515 568840021 /nfs/dbraw/zinc/84/00/21/568840021.db2.gz VXHQYPCHAMNDFE-QHCPKHFHSA-N 0 0 449.323 5.857 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000015822571 568840044 /nfs/dbraw/zinc/84/00/44/568840044.db2.gz BNCKEJDQRRUGPS-XMMPIXPASA-N 0 0 432.976 6.331 50 0 IKAARN C=Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000015826596 568840743 /nfs/dbraw/zinc/84/07/43/568840743.db2.gz OJAMWXYLNWAXDF-UHFFFAOYSA-N 0 0 434.517 5.064 50 0 IKAARN CC(C)OCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000015826511 568840746 /nfs/dbraw/zinc/84/07/46/568840746.db2.gz WBHKWQXMIHXEFP-UHFFFAOYSA-N 0 0 425.532 5.509 50 0 IKAARN CCc1cccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c1 ZINC000015827247 568840851 /nfs/dbraw/zinc/84/08/51/568840851.db2.gz NUKOGOGTNBPHPF-UHFFFAOYSA-N 0 0 426.925 5.238 50 0 IKAARN CSc1cccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000015827272 568840897 /nfs/dbraw/zinc/84/08/97/568840897.db2.gz MUBUHWLGYSOJQD-UHFFFAOYSA-N 0 0 444.965 5.397 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Sc3ccccc3)c2c1 ZINC000015828731 568841290 /nfs/dbraw/zinc/84/12/90/568841290.db2.gz AFCMNFHOPKRVGN-UHFFFAOYSA-N 0 0 441.961 5.881 50 0 IKAARN Cc1csc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC000015830438 568841511 /nfs/dbraw/zinc/84/15/11/568841511.db2.gz ROFLNJGHICHRQL-SFHVURJKSA-N 0 0 432.774 6.223 50 0 IKAARN Cc1cccc(C(=O)Nc2c(Br)cc(Br)cc2Br)c1 ZINC000000641010 568841704 /nfs/dbraw/zinc/84/17/04/568841704.db2.gz FUOYLSPYVTZUJY-UHFFFAOYSA-N 0 0 447.952 5.535 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000000641841 568841707 /nfs/dbraw/zinc/84/17/07/568841707.db2.gz KDIFGZDOFPLAPW-UHFFFAOYSA-N 0 0 434.515 5.518 50 0 IKAARN CCCCc1ccc(NC(=O)CCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000004542702 568841808 /nfs/dbraw/zinc/84/18/08/568841808.db2.gz MDABGBGCNRLAST-UHFFFAOYSA-N 0 0 426.354 6.623 50 0 IKAARN O=C(CCc1ccc(-c2ccc(Br)cc2)o1)Nc1cccc(Br)c1 ZINC000004542714 568841839 /nfs/dbraw/zinc/84/18/39/568841839.db2.gz XIRRLHXVRPARCB-UHFFFAOYSA-N 0 0 449.142 6.043 50 0 IKAARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002142478 568842065 /nfs/dbraw/zinc/84/20/65/568842065.db2.gz MZXDNVNBLBZRCG-UHFFFAOYSA-N 0 0 443.046 6.694 50 0 IKAARN Cc1cc(Br)cc(C(C)(C)C)c1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002167833 568842117 /nfs/dbraw/zinc/84/21/17/568842117.db2.gz WGVBOAAMFIEPJL-UHFFFAOYSA-N 0 0 430.264 6.685 50 0 IKAARN CC(=O)c1ccccc1OC(=O)Nc1ccc(C)c(NC(=O)Oc2ccccc2C(C)=O)c1 ZINC000003086154 568842190 /nfs/dbraw/zinc/84/21/90/568842190.db2.gz UKCIAYIDCYNDKX-UHFFFAOYSA-N 0 0 446.459 5.622 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(F)(F)F)Oc1ccc(Br)cc1 ZINC000002167806 568842230 /nfs/dbraw/zinc/84/22/30/568842230.db2.gz YZBAZLQCMFLKMS-UHFFFAOYSA-N 0 0 439.025 5.841 50 0 IKAARN Cc1ccc(C(C)C)c(OCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1 ZINC000015833677 568842371 /nfs/dbraw/zinc/84/23/71/568842371.db2.gz MKIJLJGJMYLAGA-HXUWFJFHSA-N 0 0 445.563 6.021 50 0 IKAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC(=S)N2CCCCC2)cc1 ZINC000033814640 568842373 /nfs/dbraw/zinc/84/23/73/568842373.db2.gz SBOLAASDDBYXNL-LJQANCHMSA-N 0 0 443.663 5.238 50 0 IKAARN O=C(CSC(=S)N1CCCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000033814636 568842410 /nfs/dbraw/zinc/84/24/10/568842410.db2.gz MNSCDGRDUHDQRO-GOSISDBHSA-N 0 0 447.626 5.069 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Br)cc1Br ZINC000025691872 568842543 /nfs/dbraw/zinc/84/25/43/568842543.db2.gz MGYBBULEYMOHNY-UHFFFAOYSA-N 0 0 439.918 6.129 50 0 IKAARN CC(=O)Nc1ccc(OCCCCCCCCCCOc2ccc(NC(C)=O)cc2)cc1 ZINC000025668541 568842570 /nfs/dbraw/zinc/84/25/70/568842570.db2.gz LPHJKUZPELTEMZ-UHFFFAOYSA-N 0 0 440.584 6.182 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000028064715 568842774 /nfs/dbraw/zinc/84/27/74/568842774.db2.gz CTYYMQQFHFGIBF-OAQYLSRUSA-N 0 0 436.005 7.189 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 ZINC000043198643 568842909 /nfs/dbraw/zinc/84/29/09/568842909.db2.gz JXYCGSQRLXAZLT-GOSISDBHSA-N 0 0 437.908 5.544 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2)c(O)c1 ZINC000039959725 568842910 /nfs/dbraw/zinc/84/29/10/568842910.db2.gz RTCCKAYEADDTTF-NRFANRHFSA-N 0 0 447.585 6.250 50 0 IKAARN C[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000043191239 568842932 /nfs/dbraw/zinc/84/29/32/568842932.db2.gz OHFLVUHLQDXKDF-NSHDSACASA-N 0 0 448.367 5.056 50 0 IKAARN O=C(NCCNC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000043191237 568842966 /nfs/dbraw/zinc/84/29/66/568842966.db2.gz FKHKWWLUCOIWSR-UHFFFAOYSA-N 0 0 436.126 5.243 50 0 IKAARN O=C(CSc1nc2ccccc2o1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 ZINC000043198642 568842987 /nfs/dbraw/zinc/84/29/87/568842987.db2.gz JXYCGSQRLXAZLT-SFHVURJKSA-N 0 0 437.908 5.544 50 0 IKAARN c1ccc([C@@H]2OCC[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1 ZINC000043763381 568843173 /nfs/dbraw/zinc/84/31/73/568843173.db2.gz QTYBYBJRXWKEHC-URLMMPGGSA-N 0 0 436.551 6.499 50 0 IKAARN CC1(C)CC(=O)C[C@@]2(C1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000100729060 568843384 /nfs/dbraw/zinc/84/33/84/568843384.db2.gz HCTSMTJNYAKKHU-REWPJTCUSA-N 0 0 429.347 6.495 50 0 IKAARN Brc1ccc(/C=C\c2ccc(/C=C\c3ccc(Br)cc3)cc2)cc1 ZINC000071787035 568843573 /nfs/dbraw/zinc/84/35/73/568843573.db2.gz BQWLFSFPVKOGNS-SFECMWDFSA-N 0 0 440.178 7.552 50 0 IKAARN Cc1c(C)n(-c2cccc(C)c2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000015842235 568844686 /nfs/dbraw/zinc/84/46/86/568844686.db2.gz FDAZFAAVIVWFCA-UHFFFAOYSA-N 0 0 440.532 5.427 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000006136566 568845234 /nfs/dbraw/zinc/84/52/34/568845234.db2.gz OMVDYFGJDCSILL-UHFFFAOYSA-N 0 0 449.963 5.495 50 0 IKAARN CC1=C(C)CP(=Nc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)(c2ccccc2)C1 ZINC000006142292 568845389 /nfs/dbraw/zinc/84/53/89/568845389.db2.gz RRRGPRCDSVEZJF-UHFFFAOYSA-N 0 0 449.663 9.087 50 0 IKAARN CCOC(=O)[C@H](c1cccc(OC)c1)[C@H]1C=C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000037341779 568845484 /nfs/dbraw/zinc/84/54/84/568845484.db2.gz CPVNSMANUNADLN-NYSBEXSLSA-N 0 0 448.346 5.023 50 0 IKAARN Cn1c2cn(-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000015858710 568846580 /nfs/dbraw/zinc/84/65/80/568846580.db2.gz WCORACMLIAKRRC-UHFFFAOYSA-N 0 0 433.433 5.806 50 0 IKAARN Cn1c2cn(-c3ccc(Br)cc3)c(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000015858706 568846604 /nfs/dbraw/zinc/84/66/04/568846604.db2.gz ZOWQQQFUKBPVMK-UHFFFAOYSA-N 0 0 444.332 5.549 50 0 IKAARN CC(C)COC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc12 ZINC000006150412 568846941 /nfs/dbraw/zinc/84/69/41/568846941.db2.gz GVNSEWHIIQJHIW-UHFFFAOYSA-N 0 0 429.307 5.276 50 0 IKAARN Cc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000015859416 568847629 /nfs/dbraw/zinc/84/76/29/568847629.db2.gz DRUAKRDKCFYUMS-QHCPKHFHSA-N 0 0 432.545 5.477 50 0 IKAARN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000015859456 568847637 /nfs/dbraw/zinc/84/76/37/568847637.db2.gz CEZPHKSBCYKMHJ-VWLOTQADSA-N 0 0 442.515 5.115 50 0 IKAARN COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCOCC2)c1 ZINC000015859466 568847709 /nfs/dbraw/zinc/84/77/09/568847709.db2.gz GZFRTTJNBFIHSB-VWLOTQADSA-N 0 0 442.515 5.115 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000015859593 568847900 /nfs/dbraw/zinc/84/79/00/568847900.db2.gz RXEIQNRHVDLMFK-VWLOTQADSA-N 0 0 444.506 5.554 50 0 IKAARN Cc1ccc(NC(=O)c2cnn3c2N=C(c2ccc(C)cc2)C[C@H]3c2ccc(F)cc2)cc1 ZINC000015860975 568848012 /nfs/dbraw/zinc/84/80/12/568848012.db2.gz KLBNWTWKGVIDKI-VWLOTQADSA-N 0 0 438.506 5.947 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)N[C@@H](c3cccs3)C(C)C)cc2s1 ZINC000015861846 568848275 /nfs/dbraw/zinc/84/82/75/568848275.db2.gz ACGKXJMBZOFBMV-OAQYLSRUSA-N 0 0 429.611 5.543 50 0 IKAARN Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)CC4CCCCC4)cc3s2)cc1 ZINC000015861933 568848428 /nfs/dbraw/zinc/84/84/28/568848428.db2.gz IHIMMVCZFURAJB-UHFFFAOYSA-N 0 0 443.594 5.314 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccc(OCC)cc2)c1C ZINC000015862467 568848706 /nfs/dbraw/zinc/84/87/06/568848706.db2.gz GGTBAOMNGGAZRC-UHFFFAOYSA-N 0 0 434.536 5.050 50 0 IKAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(N2CCCC2)cc1 ZINC000006161476 568848839 /nfs/dbraw/zinc/84/88/39/568848839.db2.gz VYFIJYREDPSAFN-UHFFFAOYSA-N 0 0 429.442 5.774 50 0 IKAARN COc1ccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000006161472 568848869 /nfs/dbraw/zinc/84/88/69/568848869.db2.gz QXECIOSBPAKKFM-UHFFFAOYSA-N 0 0 444.556 5.610 50 0 IKAARN Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000006161557 568848872 /nfs/dbraw/zinc/84/88/72/568848872.db2.gz ZUCQQKRXMIGMTO-UHFFFAOYSA-N 0 0 430.371 5.164 50 0 IKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c(C)c1 ZINC000006161565 568848913 /nfs/dbraw/zinc/84/89/13/568848913.db2.gz ADINFOCOFCXYQC-UHFFFAOYSA-N 0 0 430.371 5.164 50 0 IKAARN CCOC(=O)[C@H](c1cccc(OC)c1)[C@@H]1C=C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000037341781 568849319 /nfs/dbraw/zinc/84/93/19/568849319.db2.gz CPVNSMANUNADLN-QFIXIFRTSA-N 0 0 448.346 5.023 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)c3cc(OC)cc(OC)c3)c2)nc2ccccc21 ZINC000015863667 568849327 /nfs/dbraw/zinc/84/93/27/568849327.db2.gz HUUSUKQEVFUVOJ-UHFFFAOYSA-N 0 0 429.520 5.111 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)cc1OCC ZINC000015863599 568849337 /nfs/dbraw/zinc/84/93/37/568849337.db2.gz PGHKIDUITSVRDM-UHFFFAOYSA-N 0 0 443.547 5.706 50 0 IKAARN COC(=O)c1cccc(NC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2OC)c1 ZINC000015864455 568849923 /nfs/dbraw/zinc/84/99/23/568849923.db2.gz VZKLHGUTYWBHEL-UHFFFAOYSA-N 0 0 431.448 5.242 50 0 biogenic IKAARN COc1ccc(CCNC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1OC ZINC000015865010 568849932 /nfs/dbraw/zinc/84/99/32/568849932.db2.gz ZUQZXHCYDBMKBG-UHFFFAOYSA-N 0 0 436.895 5.138 50 0 biogenic IKAARN Cc1ccc2[nH]c(CSc3nnc(COc4ccc(C(C)(C)C)cc4)n3C)cc(=O)c2c1 ZINC000015865314 568850118 /nfs/dbraw/zinc/85/01/18/568850118.db2.gz GUXWXSNKZXMINO-UHFFFAOYSA-N 0 0 448.592 5.134 50 0 IKAARN Cc1cc(C)c2[nH]c(CSc3nnc(COc4ccc(C(C)C)cc4)n3C)cc(=O)c2c1 ZINC000015865334 568850160 /nfs/dbraw/zinc/85/01/60/568850160.db2.gz CCTBGMDWVWRZNF-UHFFFAOYSA-N 0 0 448.592 5.268 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000015864825 568850290 /nfs/dbraw/zinc/85/02/90/568850290.db2.gz BVXUHMRTSUPLRM-DEOSSOPVSA-N 0 0 446.641 6.800 50 0 IKAARN Cc1ccc(-c2nn(CC(=O)NCc3ccc(F)cc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000015864651 568850299 /nfs/dbraw/zinc/85/02/99/568850299.db2.gz FFURXORGYLICCN-UHFFFAOYSA-N 0 0 438.506 5.324 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc5ccccc5c4)n3)nc2c1 ZINC000015867200 568850654 /nfs/dbraw/zinc/85/06/54/568850654.db2.gz BSPUVSJQDCFMGI-UHFFFAOYSA-N 0 0 444.516 5.536 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4Cl)nc3n2)cc1 ZINC000015868193 568851107 /nfs/dbraw/zinc/85/11/07/568851107.db2.gz WDIFDFWXNNSQGF-UHFFFAOYSA-N 0 0 449.795 5.163 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4Cl)nc3n2)cc1 ZINC000015868183 568851120 /nfs/dbraw/zinc/85/11/20/568851120.db2.gz VLTAADJENIYUJS-UHFFFAOYSA-N 0 0 445.832 5.333 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000015868285 568851250 /nfs/dbraw/zinc/85/12/50/568851250.db2.gz IFAKUBPSACCGFE-CQSZACIVSA-N 0 0 442.466 5.592 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1sc(Cl)cc1Cl)CC(=O)N2 ZINC000015868300 568851281 /nfs/dbraw/zinc/85/12/81/568851281.db2.gz ZZYDFATVUKOAJH-VIFPVBQESA-N 0 0 435.361 5.633 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000015868296 568851316 /nfs/dbraw/zinc/85/13/16/568851316.db2.gz QKKNHRFPCKTBRF-GFCCVEGCSA-N 0 0 443.359 5.880 50 0 IKAARN CCn1c(CCc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)nc2ccccc21 ZINC000015870475 568851589 /nfs/dbraw/zinc/85/15/89/568851589.db2.gz XGDPGZSUHXIKKX-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870502 568852031 /nfs/dbraw/zinc/85/20/31/568852031.db2.gz UWIGBYDLHCILOC-UHFFFAOYSA-N 0 0 433.577 5.112 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1C ZINC000015870672 568852194 /nfs/dbraw/zinc/85/21/94/568852194.db2.gz PUMIXBLDGHXTSB-UHFFFAOYSA-N 0 0 433.577 5.085 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccccc3C)cc2)nc2ccccc21 ZINC000015870744 568852217 /nfs/dbraw/zinc/85/22/17/568852217.db2.gz OPKLCUKNDSSERB-UHFFFAOYSA-N 0 0 433.577 5.341 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)nc2ccccc21 ZINC000015870781 568852221 /nfs/dbraw/zinc/85/22/21/568852221.db2.gz ORCLKNWGKQWTKN-UHFFFAOYSA-N 0 0 433.577 5.341 50 0 IKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2)nc2ccccc21 ZINC000015870769 568852237 /nfs/dbraw/zinc/85/22/37/568852237.db2.gz WWXLQZKFPHMPLH-UHFFFAOYSA-N 0 0 447.604 5.595 50 0 IKAARN Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4ccc(F)c(Cl)c4)cc3)nc2c1 ZINC000015870697 568852251 /nfs/dbraw/zinc/85/22/51/568852251.db2.gz UTERGPLWUHVTPC-UHFFFAOYSA-N 0 0 443.931 5.250 50 0 IKAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000026121124 568852276 /nfs/dbraw/zinc/85/22/76/568852276.db2.gz KOOOOPRIKRXZAU-UHFFFAOYSA-N 0 0 441.373 5.057 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000006177659 568852529 /nfs/dbraw/zinc/85/25/29/568852529.db2.gz IMSBFEXSCLLRBK-UHFFFAOYSA-N 0 0 448.979 5.551 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880720 568854255 /nfs/dbraw/zinc/85/42/55/568854255.db2.gz HZOZOHIWPDNLIW-UHFFFAOYSA-N 0 0 435.336 5.584 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2c3cc(OC)ccc3oc2-c2ccc(OC)cc2)cc1 ZINC000015880467 568854695 /nfs/dbraw/zinc/85/46/95/568854695.db2.gz SGVCVUIFVAJIIP-UHFFFAOYSA-N 0 0 445.471 5.546 50 0 IKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000015880494 568854886 /nfs/dbraw/zinc/85/48/86/568854886.db2.gz IIOQJJKMXWJXTQ-UHFFFAOYSA-N 0 0 433.460 5.387 50 0 IKAARN COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1OC ZINC000015881172 568855139 /nfs/dbraw/zinc/85/51/39/568855139.db2.gz RDUSILUCXXPGQQ-UHFFFAOYSA-N 0 0 433.504 5.249 50 0 IKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000015881513 568855280 /nfs/dbraw/zinc/85/52/80/568855280.db2.gz NETLWYFZHAETOT-UHFFFAOYSA-N 0 0 428.414 5.472 50 0 IKAARN O=C(CCSc1ccccc1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000015881815 568856102 /nfs/dbraw/zinc/85/61/02/568856102.db2.gz FXQVZECCNOOVOT-UHFFFAOYSA-N 0 0 441.528 5.685 50 0 IKAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000015882422 568856456 /nfs/dbraw/zinc/85/64/56/568856456.db2.gz VCZYZAKVCULEMW-UHFFFAOYSA-N 0 0 433.508 5.190 50 0 IKAARN CCCn1ccc2c(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cccc2c1=O ZINC000015882453 568856465 /nfs/dbraw/zinc/85/64/65/568856465.db2.gz ALVYYVZNDDYIRM-UHFFFAOYSA-N 0 0 438.833 5.101 50 0 IKAARN Cc1c(CCNC(=O)c2ccc(Cl)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015882111 568856516 /nfs/dbraw/zinc/85/65/16/568856516.db2.gz MRSXCJDAYTUNEM-UHFFFAOYSA-N 0 0 431.348 5.046 50 0 IKAARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)nc21 ZINC000015882436 568856578 /nfs/dbraw/zinc/85/65/78/568856578.db2.gz GDLQOXLIWCFLLR-UHFFFAOYSA-N 0 0 429.973 5.008 50 0 IKAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000015882421 568856584 /nfs/dbraw/zinc/85/65/84/568856584.db2.gz AQAQQOWQVIOHKI-UHFFFAOYSA-N 0 0 433.508 5.190 50 0 IKAARN Cc1cc2nc(N(Cc3cccnc3)C(=O)CSc3ccc(F)cc3)sc2cc1C ZINC000015882542 568857170 /nfs/dbraw/zinc/85/71/70/568857170.db2.gz ULGKZTNWWFVVLM-UHFFFAOYSA-N 0 0 437.565 5.773 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000015882824 568857425 /nfs/dbraw/zinc/85/74/25/568857425.db2.gz AJZJSZYTQUDICJ-UHFFFAOYSA-N 0 0 428.454 5.510 50 0 IKAARN COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015883910 568858129 /nfs/dbraw/zinc/85/81/29/568858129.db2.gz DKDLIPFLAOBWLJ-UHFFFAOYSA-N 0 0 442.968 5.058 50 0 IKAARN COc1ccc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1OC ZINC000015911447 568858514 /nfs/dbraw/zinc/85/85/14/568858514.db2.gz QHQGOHPJQIMYCZ-UHFFFAOYSA-N 0 0 432.545 5.271 50 0 IKAARN CC1(C)CC2=NN(c3ccccc3)[P@](=O)(Nc3ccccc3)C2=C(N2CCOCC2)C1 ZINC000015906614 568858545 /nfs/dbraw/zinc/85/85/45/568858545.db2.gz YWNVRWAAUIRNFC-WJOKGBTCSA-N 0 0 436.496 5.532 50 0 IKAARN COc1ccc(C(=O)C2CCN(C(=O)C(=Cc3cccc(C)c3)c3cccs3)CC2)cc1 ZINC000026131957 568859860 /nfs/dbraw/zinc/85/98/60/568859860.db2.gz UHXAABAEISSQCG-HKOYGPOVSA-N 0 0 445.584 5.727 50 0 IKAARN O=C(c1ccccc1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000026131634 568860053 /nfs/dbraw/zinc/86/00/53/568860053.db2.gz GWCNQFAAEHTVHD-GOSISDBHSA-N 0 0 432.467 5.655 50 0 IKAARN CN1c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583649130 568860210 /nfs/dbraw/zinc/86/02/10/568860210.db2.gz ZDICUCITUOHEIW-SFHVURJKSA-N 0 0 437.849 5.013 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 ZINC000015981083 568861886 /nfs/dbraw/zinc/86/18/86/568861886.db2.gz HBHBTHSSEDOXMI-SFHVURJKSA-N 0 0 445.588 6.278 50 0 IKAARN COc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000016044027 568868678 /nfs/dbraw/zinc/86/86/78/568868678.db2.gz FIQGYKZSSUVDLD-UHFFFAOYSA-N 0 0 442.437 5.538 50 0 IKAARN O=C(OC1CCCCCCCCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000016044172 568868717 /nfs/dbraw/zinc/86/87/17/568868717.db2.gz YCNNIHMAWTXUQT-UHFFFAOYSA-N 0 0 446.591 6.275 50 0 IKAARN CC(C)[C@H](C)NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000016046108 568868885 /nfs/dbraw/zinc/86/88/85/568868885.db2.gz CCVACHKKEVLMLC-HNNXBMFYSA-N 0 0 428.583 5.327 50 0 IKAARN CCCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000006181467 568868996 /nfs/dbraw/zinc/86/89/96/568868996.db2.gz KCTPVTPOPZWDJG-UHFFFAOYSA-N 0 0 430.573 5.909 50 0 IKAARN COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccccc2F)n1 ZINC000575443694 568869549 /nfs/dbraw/zinc/86/95/49/568869549.db2.gz ZPZLJNPFBHLLRJ-UHFFFAOYSA-N 0 0 432.455 5.215 50 0 IKAARN CSc1ccc([C@@H]2Nc3c(sc4nc(C5CC5)cc(-c5ccccc5)c43)C(=O)N2)cc1 ZINC000006182217 568869643 /nfs/dbraw/zinc/86/96/43/568869643.db2.gz XTFDBMYVRUQQNX-HSZRJFAPSA-N 0 0 443.597 6.417 50 0 IKAARN COc1cc(C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 ZINC000575444401 568869782 /nfs/dbraw/zinc/86/97/82/568869782.db2.gz WYLZJQJUOAMTHH-UHFFFAOYSA-N 0 0 440.337 5.906 50 0 IKAARN CCOC(=O)c1noc(NC(=O)CC(c2ccccc2)c2ccccc2)c1-c1ccccc1 ZINC000012945857 568870992 /nfs/dbraw/zinc/87/09/92/568870992.db2.gz SMJPTARGVVALMG-UHFFFAOYSA-N 0 0 440.499 5.679 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)cn2c1sc1ccccc1c2=O ZINC000012948259 568871427 /nfs/dbraw/zinc/87/14/27/568871427.db2.gz KIEQVBMTNIWDOO-UHFFFAOYSA-N 0 0 428.307 5.120 50 0 IKAARN CCc1ccc(C(=O)C[C@H](c2cccc(Br)c2)N2CCc3ccccc3C2)cc1 ZINC000016161480 568872016 /nfs/dbraw/zinc/87/20/16/568872016.db2.gz DAFLAEGZNHSLOL-RUZDIDTESA-N 0 0 448.404 6.384 50 0 IKAARN CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2s1 ZINC000584906165 568872414 /nfs/dbraw/zinc/87/24/14/568872414.db2.gz BEUFYPKEKHTSGD-HNNXBMFYSA-N 0 0 438.618 6.218 50 0 IKAARN O=S(=O)(Nc1ccccc1Cl)c1cccc(NC(=S)Nc2ccccc2F)c1 ZINC000016215561 568873109 /nfs/dbraw/zinc/87/31/09/568873109.db2.gz ZQASETDJVGXPHI-UHFFFAOYSA-N 0 0 435.933 5.089 50 0 IKAARN Cc1cc2c(cc1-c1ccnc(N3CCN(c4ccccc4)CC3)n1)[C@@H](C)CC(C)(C)N2 ZINC000575473154 568873208 /nfs/dbraw/zinc/87/32/08/568873208.db2.gz JVVSNRJUJCMGKG-FQEVSTJZSA-N 0 0 427.596 5.476 50 0 IKAARN Cc1cc(OCC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c(C(C)C)cc1Cl ZINC000016262191 568875149 /nfs/dbraw/zinc/87/51/49/568875149.db2.gz DEGWXJMFVRSMDN-JOCHJYFZSA-N 0 0 446.378 5.443 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2cc(C)sc2C)cs1)c1c(C)cc(C)cc1Cl ZINC000026224641 568875686 /nfs/dbraw/zinc/87/56/86/568875686.db2.gz CLQXJUIVTWTCIW-UHFFFAOYSA-N 0 0 448.997 6.133 50 0 IKAARN 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 ZINC000001689664 568878416 /nfs/dbraw/zinc/87/84/16/568878416.db2.gz PMBSWZWCNKVWLV-IWULLGFXSA-N 0 0 442.684 7.139 50 0 IKAARN Cc1ccc(CSCc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 ZINC000575615151 568881315 /nfs/dbraw/zinc/88/13/15/568881315.db2.gz FRMDCBOFIIAZJZ-UHFFFAOYSA-N 0 0 430.451 6.757 50 0 IKAARN Cc1cccc(C(=O)Nc2nnc(SCc3c(C)cc(C(C)(C)C)cc3C)s2)c1 ZINC000006302306 568882801 /nfs/dbraw/zinc/88/28/01/568882801.db2.gz DSKMFTRTOUXPSX-UHFFFAOYSA-N 0 0 425.623 6.305 50 0 IKAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 ZINC000009517740 568883531 /nfs/dbraw/zinc/88/35/31/568883531.db2.gz QSPSNNGEMWLIQC-UHFFFAOYSA-N 0 0 431.565 5.088 50 0 IKAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000009599598 568884131 /nfs/dbraw/zinc/88/41/31/568884131.db2.gz RCPNYYOOSYBOOD-UHFFFAOYSA-N 0 0 442.968 5.192 50 0 IKAARN CCCOc1ccc(Cn2c3ccccc3nc2[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006311320 568886188 /nfs/dbraw/zinc/88/61/88/568886188.db2.gz WRBVOANFDHTYTM-JOCHJYFZSA-N 0 0 426.604 7.224 50 0 IKAARN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000090500404 568886465 /nfs/dbraw/zinc/88/64/65/568886465.db2.gz XRKFIFPKIOSHHH-UHFFFAOYSA-N 0 0 429.328 5.351 50 0 IKAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cc(Br)cs1 ZINC000016386260 568886478 /nfs/dbraw/zinc/88/64/78/568886478.db2.gz JJPVMODGMUIOPR-WEVVVXLNSA-N 0 0 427.245 5.184 50 0 IKAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(SC(F)F)cc3)C2=O)n1 ZINC000102607356 568887353 /nfs/dbraw/zinc/88/73/53/568887353.db2.gz XKXUPKGOVLGBCV-UYRXBGFRSA-N 0 0 437.471 5.345 50 0 IKAARN Cc1ccc(C)c(OCc2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)c1 ZINC000012972181 568888450 /nfs/dbraw/zinc/88/84/50/568888450.db2.gz MXUBWPMUIBNJDL-UHFFFAOYSA-N 0 0 428.901 5.261 50 0 IKAARN Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102718130 568888485 /nfs/dbraw/zinc/88/84/85/568888485.db2.gz NEGSYGMGTQLUEP-LHSJRXKWSA-N 0 0 441.314 6.603 50 0 IKAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000090592941 568888907 /nfs/dbraw/zinc/88/89/07/568888907.db2.gz MNTPCTSFTWDADI-UHFFFAOYSA-N 0 0 441.915 5.804 50 0 IKAARN O=C(NCc1cccc2ccccc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607595 568889881 /nfs/dbraw/zinc/88/98/81/568889881.db2.gz QFZNMIIRFPHOJK-UHFFFAOYSA-N 0 0 429.442 5.007 50 0 IKAARN Cc1ccc(SC2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000011666826 568892250 /nfs/dbraw/zinc/89/22/50/568892250.db2.gz JNDKGSYEJGWSTP-UHFFFAOYSA-N 0 0 448.975 5.942 50 0 IKAARN C[C@@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012980769 568893545 /nfs/dbraw/zinc/89/35/45/568893545.db2.gz OZNAXPSWDFVRPC-PXAZEXFGSA-N 0 0 442.928 5.052 50 0 IKAARN CCc1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3c3nc4ccccc4s3)n2)cc1 ZINC000012982314 568894694 /nfs/dbraw/zinc/89/46/94/568894694.db2.gz MCLMSRVGAKNCGR-FQEVSTJZSA-N 0 0 446.576 5.595 50 0 IKAARN CCc1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000012982312 568894696 /nfs/dbraw/zinc/89/46/96/568894696.db2.gz MCLMSRVGAKNCGR-HXUWFJFHSA-N 0 0 446.576 5.595 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc2ccccc2c1 ZINC000012986705 568895116 /nfs/dbraw/zinc/89/51/16/568895116.db2.gz FXECCYWFCPPOPK-UHFFFAOYSA-N 0 0 435.911 5.359 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1cc(Cl)sc1Cl ZINC000012983853 568895449 /nfs/dbraw/zinc/89/54/49/568895449.db2.gz CMHURDWJJFEHSG-UHFFFAOYSA-N 0 0 430.407 5.609 50 0 IKAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)OCc1nc(-c2ccc(F)cc2)no1 ZINC000032672093 568895864 /nfs/dbraw/zinc/89/58/64/568895864.db2.gz PTBOFDDVRQASPS-OVCLIPMQSA-N 0 0 430.435 5.211 50 0 IKAARN O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000033747810 568896080 /nfs/dbraw/zinc/89/60/80/568896080.db2.gz UUENVKHVYBAYBA-CWYSJSGYSA-N 0 0 440.518 6.028 50 0 IKAARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCc1csc(-c2ccccc2)n1 ZINC000036397477 568896399 /nfs/dbraw/zinc/89/63/99/568896399.db2.gz MBHKAZFQMKGABW-SDNWHVSQSA-N 0 0 427.529 5.114 50 0 IKAARN CC(C)Sc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088243 568896523 /nfs/dbraw/zinc/89/65/23/568896523.db2.gz PNCOHKAVPPGJCP-UHFFFAOYSA-N 0 0 429.319 6.948 50 0 IKAARN O=C(c1ccncc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000096400846 568899111 /nfs/dbraw/zinc/89/91/11/568899111.db2.gz SEHDOBWHDBZZQU-HQQDDLKISA-N 0 0 429.470 5.797 50 0 IKAARN CN(Cc1ccccc1Br)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000013005767 568899290 /nfs/dbraw/zinc/89/92/90/568899290.db2.gz MOJZFOGEEZZDIY-UHFFFAOYSA-N 0 0 429.339 5.035 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000013005697 568899300 /nfs/dbraw/zinc/89/93/00/568899300.db2.gz HYLLXJMIGAGWQR-UHFFFAOYSA-N 0 0 441.506 5.300 50 0 IKAARN CC(C)(C)c1noc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)n1 ZINC000013005912 568899370 /nfs/dbraw/zinc/89/93/70/568899370.db2.gz UOYQPTBCUPEJQV-UHFFFAOYSA-N 0 0 444.919 5.151 50 0 IKAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1S[C@H](C)c1nc(C(C)C)no1 ZINC000013009071 568899665 /nfs/dbraw/zinc/89/96/65/568899665.db2.gz GFMCHSLIJMVAER-OAHLLOKOSA-N 0 0 436.537 5.144 50 0 IKAARN Fc1ccc(-c2csc3ncnc(SCCCc4nc(-c5ccncc5)no4)c23)cc1 ZINC000013008806 568899732 /nfs/dbraw/zinc/89/97/32/568899732.db2.gz IPVRYPGYRWRZBZ-UHFFFAOYSA-N 0 0 449.536 5.667 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000103004418 568900492 /nfs/dbraw/zinc/90/04/92/568900492.db2.gz BYRCEILJFFJPJL-RCCKNPSSSA-N 0 0 448.906 5.387 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3Cl)C2=O)cc1 ZINC000103005073 568900494 /nfs/dbraw/zinc/90/04/94/568900494.db2.gz FNQSDOODRZRIHC-HMMYKYKNSA-N 0 0 446.890 5.157 50 0 IKAARN CCOC(=O)c1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000102982852 568900559 /nfs/dbraw/zinc/90/05/59/568900559.db2.gz PTERQDZMZXFNGN-XQNSMLJCSA-N 0 0 440.499 5.120 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3Cl)C2=O)c(C)c1 ZINC000103004945 568900583 /nfs/dbraw/zinc/90/05/83/568900583.db2.gz OLIMNQFPFJBBQH-CPNJWEJPSA-N 0 0 437.326 6.250 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3CC)C2=O)cc1 ZINC000103003970 568900590 /nfs/dbraw/zinc/90/05/90/568900590.db2.gz IKOSZOGVDZVPAX-HAVVHWLPSA-N 0 0 440.499 5.066 50 0 IKAARN O=C(COC(=O)c1c2c(nc3ccccc31)C(=Cc1cccs1)CC2)c1ccccc1 ZINC000103083190 568900721 /nfs/dbraw/zinc/90/07/21/568900721.db2.gz KUJZVZOQPGRMOL-SDXDJHTJSA-N 0 0 425.509 5.823 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3Br)C2=O)cc1C ZINC000103005239 568900843 /nfs/dbraw/zinc/90/08/43/568900843.db2.gz NQWILMYNBPUBKJ-XSFVSMFZSA-N 0 0 447.332 5.706 50 0 IKAARN Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)c2ccccc2N(CCc2ccccc2)C1=O ZINC000006438854 568901358 /nfs/dbraw/zinc/90/13/58/568901358.db2.gz LTPZVZDYSSCAPK-MUUNZHRXSA-N 0 0 427.544 5.168 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001746554 568904149 /nfs/dbraw/zinc/90/41/49/568904149.db2.gz TYTWZJWNOZULHL-GOSISDBHSA-N 0 0 428.623 5.745 50 0 IKAARN COc1ccc(C[C@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@@H]23)CCCC5)cc1 ZINC000001751998 568904599 /nfs/dbraw/zinc/90/45/99/568904599.db2.gz XCUAPPLVYNFZIA-XUZZJYLKSA-N 0 0 430.573 5.052 50 0 IKAARN CC(C)c1cccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001759577 568905103 /nfs/dbraw/zinc/90/51/03/568905103.db2.gz RAZVHEJCFQCPMT-UHFFFAOYSA-N 0 0 432.951 6.309 50 0 IKAARN Cc1cc(C)cc(Oc2c(=O)c3ccc(OC(=O)C(C)(C)C)cc3oc2C(F)(F)F)c1 ZINC000001769100 568905602 /nfs/dbraw/zinc/90/56/02/568905602.db2.gz PKWFVTCKPFLYFN-UHFFFAOYSA-N 0 0 434.410 6.172 50 0 IKAARN Cc1cccc(N2C(=O)C(Cl)=C(N(Cc3ccccc3)Cc3ccccc3)C2=O)c1C ZINC000001766079 568905638 /nfs/dbraw/zinc/90/56/38/568905638.db2.gz NKFNBXZRLXBITI-UHFFFAOYSA-N 0 0 430.935 5.329 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000036464998 568905669 /nfs/dbraw/zinc/90/56/69/568905669.db2.gz PHLIUSDPFOUISN-SPTWOZHASA-N 0 0 430.717 8.039 50 0 IKAARN CC(C)COC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770141 568905867 /nfs/dbraw/zinc/90/58/67/568905867.db2.gz SJCSQGMWEYVMEX-KRWDZBQOSA-N 0 0 438.520 5.849 50 0 biogenic IKAARN CC[C@H](Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O)C(=O)OCc1ccccc1 ZINC000001769982 568905940 /nfs/dbraw/zinc/90/59/40/568905940.db2.gz TUUIRWKBFZAYAW-QHCPKHFHSA-N 0 0 444.483 5.795 50 0 IKAARN CCCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000001770048 568905979 /nfs/dbraw/zinc/90/59/79/568905979.db2.gz GJVVGORENXZDQV-UHFFFAOYSA-N 0 0 436.382 5.245 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)c1ccc(Cl)cc1Cl ZINC000001770863 568906135 /nfs/dbraw/zinc/90/61/35/568906135.db2.gz HCWXVJOACAHTPW-UHFFFAOYSA-N 0 0 445.685 6.639 50 0 IKAARN O=c1c2ccc(OCc3ccccc3)cc2oc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000001770952 568906168 /nfs/dbraw/zinc/90/61/68/568906168.db2.gz RMDHNGQXGKXNDL-UHFFFAOYSA-N 0 0 430.809 6.711 50 0 IKAARN CCCCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000001771742 568906182 /nfs/dbraw/zinc/90/61/82/568906182.db2.gz CVSVWXYXKYLEJE-UHFFFAOYSA-N 0 0 428.406 6.936 50 0 IKAARN CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC000001770324 568906204 /nfs/dbraw/zinc/90/62/04/568906204.db2.gz XAMFYUOXIXGUBS-PIGZYNQJSA-N 0 0 438.833 5.008 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccc2ccccc2c1 ZINC000001772429 568906258 /nfs/dbraw/zinc/90/62/58/568906258.db2.gz AHMBWNLYBAFNRX-UHFFFAOYSA-N 0 0 426.903 5.949 50 0 IKAARN Cc1cccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)c(Cl)c(C)c2)c3=O)c1 ZINC000001775141 568906397 /nfs/dbraw/zinc/90/63/97/568906397.db2.gz IVFIMFAWIBSGEI-UHFFFAOYSA-N 0 0 434.875 6.383 50 0 IKAARN O=c1c(Oc2ccccc2Cl)coc2cc(OCc3ccc(Cl)cc3Cl)ccc21 ZINC000001775164 568906469 /nfs/dbraw/zinc/90/64/69/568906469.db2.gz XRAMQISUHKYKTC-UHFFFAOYSA-N 0 0 447.701 7.125 50 0 IKAARN CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)c(Cl)ccc32)cc1 ZINC000001777826 568906680 /nfs/dbraw/zinc/90/66/80/568906680.db2.gz KSYPMSWOOAXBTD-UHFFFAOYSA-N 0 0 440.927 6.074 50 0 IKAARN Cc1cc(C)c(C)c(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001778139 568906726 /nfs/dbraw/zinc/90/67/26/568906726.db2.gz XUMFXHNLDOCCJA-UHFFFAOYSA-N 0 0 432.951 6.111 50 0 IKAARN CCCCN(CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1)C(=O)c1ccc(C)cc1 ZINC000035700987 568907120 /nfs/dbraw/zinc/90/71/20/568907120.db2.gz RIYSPDMAETVITP-UHFFFAOYSA-N 0 0 436.581 5.093 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccccc1OC ZINC000001782401 568907124 /nfs/dbraw/zinc/90/71/24/568907124.db2.gz RESZEQUIMAVKOT-JLHYYAGUSA-N 0 0 441.936 5.906 50 0 IKAARN CC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2cccc3ccccc32)ccc1N1CCCC1 ZINC000035709580 568907562 /nfs/dbraw/zinc/90/75/62/568907562.db2.gz XABJTIJILZOYAU-GOSISDBHSA-N 0 0 430.552 5.612 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001787531 568907636 /nfs/dbraw/zinc/90/76/36/568907636.db2.gz ODEKBTVVTZFFPT-CQSZACIVSA-N 0 0 444.000 5.210 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001787530 568907671 /nfs/dbraw/zinc/90/76/71/568907671.db2.gz ODEKBTVVTZFFPT-AWEZNQCLSA-N 0 0 444.000 5.210 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000001789822 568907811 /nfs/dbraw/zinc/90/78/11/568907811.db2.gz DGMIALXAIIGBLP-VXGBXAGGSA-N 0 0 448.013 5.597 50 0 IKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001789897 568907845 /nfs/dbraw/zinc/90/78/45/568907845.db2.gz JYSKPDFWYFGASE-UHFFFAOYSA-N 0 0 441.266 5.995 50 0 IKAARN COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1OC ZINC000001790941 568907994 /nfs/dbraw/zinc/90/79/94/568907994.db2.gz XSRVUQHROJFRPH-UKTHLTGXSA-N 0 0 428.440 5.096 50 0 IKAARN Cn1c(=O)c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c(-c2ccccc2)n1C ZINC000001793892 568908109 /nfs/dbraw/zinc/90/81/09/568908109.db2.gz ZLRKMCRFYDZAPN-RQZHXJHFSA-N 0 0 438.556 5.142 50 0 IKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3c(F)cccc3Cl)cc21 ZINC000001799077 568908276 /nfs/dbraw/zinc/90/82/76/568908276.db2.gz UICHLVCXKNPLST-UHFFFAOYSA-N 0 0 441.680 6.052 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2oc1-c1ccccc1 ZINC000001797714 568908367 /nfs/dbraw/zinc/90/83/67/568908367.db2.gz LPXAFVJPFPOLFH-UHFFFAOYSA-N 0 0 441.310 7.162 50 0 IKAARN CC(C)Cc1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000001800327 568908556 /nfs/dbraw/zinc/90/85/56/568908556.db2.gz ZGAIALYLDZFSHL-UHFFFAOYSA-N 0 0 449.645 6.582 50 0 IKAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000136294394 568908844 /nfs/dbraw/zinc/90/88/44/568908844.db2.gz MCAJYCWBANOJCU-OEMFJLHTSA-N 0 0 446.934 5.316 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(-c2csc(Nc3cccc(OC)c3)n2)cc1)c1ccccc1 ZINC000035730463 568908902 /nfs/dbraw/zinc/90/89/02/568908902.db2.gz XTRXAGAVAVFXKY-QHCPKHFHSA-N 0 0 443.572 6.695 50 0 IKAARN Cc1cccc(C)c1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000135863883 568908922 /nfs/dbraw/zinc/90/89/22/568908922.db2.gz DNRSHPPENRRNNQ-ACIOBRDBSA-N 0 0 432.907 5.008 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000137730695 568909161 /nfs/dbraw/zinc/90/91/61/568909161.db2.gz QNLQEZCOMBQHPE-GBESFXJTSA-N 0 0 445.327 5.106 50 0 IKAARN Cc1ccccc1C(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000001810089 568909170 /nfs/dbraw/zinc/90/91/70/568909170.db2.gz CNIUNSVDELGIOF-UHFFFAOYSA-N 0 0 449.300 6.059 50 0 biogenic IKAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000137856088 568909267 /nfs/dbraw/zinc/90/92/67/568909267.db2.gz LDNOEDBPXLUFCK-CCDWMCETSA-N 0 0 440.543 5.344 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000139077168 568909444 /nfs/dbraw/zinc/90/94/44/568909444.db2.gz IBKYNEFOMSOAHD-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577098 568909569 /nfs/dbraw/zinc/90/95/69/568909569.db2.gz KPXCDYNSCDFYFE-AZGAKELHSA-N 0 0 445.349 7.389 50 0 IKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576696 568909653 /nfs/dbraw/zinc/90/96/53/568909653.db2.gz RPOQKDRVSTUDGM-SHQCIBLASA-N 0 0 438.914 6.246 50 0 IKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCC1)O2 ZINC000025576622 568909658 /nfs/dbraw/zinc/90/96/58/568909658.db2.gz IBGHFIKHBLJQFH-JOCHJYFZSA-N 0 0 433.349 6.416 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577148 568909714 /nfs/dbraw/zinc/90/97/14/568909714.db2.gz SSHVRSKIJMVKPD-VPUSJEBWSA-N 0 0 440.930 6.744 50 0 IKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCCC1)O2 ZINC000025577513 568909838 /nfs/dbraw/zinc/90/98/38/568909838.db2.gz KGVFHFPUOPVGQI-QHCPKHFHSA-N 0 0 447.376 6.806 50 0 IKAARN CCCCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000016487240 568910080 /nfs/dbraw/zinc/91/00/80/568910080.db2.gz OOLXJURBGMGQLJ-HSZRJFAPSA-N 0 0 433.017 5.303 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCCC4)c1 ZINC000001816577 568915342 /nfs/dbraw/zinc/91/53/42/568915342.db2.gz UZACRALXEFSYNO-UHFFFAOYSA-N 0 0 443.572 5.994 50 0 IKAARN Cc1ccc(SC2=C(Nc3cccc(Cl)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001810721 568915388 /nfs/dbraw/zinc/91/53/88/568915388.db2.gz YTRWKGRZMJRQIK-UHFFFAOYSA-N 0 0 434.948 5.633 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 ZINC000001810908 568915480 /nfs/dbraw/zinc/91/54/80/568915480.db2.gz BXEZIHHHVPSQJQ-UHFFFAOYSA-N 0 0 447.531 5.372 50 0 IKAARN Fc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000001814213 568915486 /nfs/dbraw/zinc/91/54/86/568915486.db2.gz QLYLIQATMOHGMN-VWLOTQADSA-N 0 0 428.507 6.780 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)n1c2ccccc2nc1SCc1ccc(F)cc1 ZINC000001821264 568915789 /nfs/dbraw/zinc/91/57/89/568915789.db2.gz HBWKGXZPMGOLME-KXBFYZLASA-N 0 0 449.378 6.699 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001825516 568915794 /nfs/dbraw/zinc/91/57/94/568915794.db2.gz FGXMYJDLQKQPFP-SFHVURJKSA-N 0 0 428.623 5.496 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 ZINC000001825049 568915803 /nfs/dbraw/zinc/91/58/03/568915803.db2.gz KYESXIMGPAFMAW-UHFFFAOYSA-N 0 0 446.641 6.804 50 0 IKAARN CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 ZINC000001828663 568915809 /nfs/dbraw/zinc/91/58/09/568915809.db2.gz FRRDSVNYKUBDHH-MHZLTWQESA-N 0 0 425.613 6.439 50 0 biogenic IKAARN Cc1nc2c3cc4c(nc3sc2c(N[C@@H](C)CCc2ccccc2)n1)CC(C)(C)OC4 ZINC000001833070 568915928 /nfs/dbraw/zinc/91/59/28/568915928.db2.gz JVFYHIQNPIFKMT-HNNXBMFYSA-N 0 0 432.593 5.832 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCc2ccccc2)sc2c3[C@H](C)CCC2)cc1 ZINC000001831948 568916050 /nfs/dbraw/zinc/91/60/50/568916050.db2.gz VEVZIELVCAIFGY-GOSISDBHSA-N 0 0 446.641 6.530 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCc2ccccc2)sc2c3[C@@H](C)CCC2)cc1 ZINC000001831949 568916063 /nfs/dbraw/zinc/91/60/63/568916063.db2.gz VEVZIELVCAIFGY-SFHVURJKSA-N 0 0 446.641 6.530 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Br)cc1 ZINC000001839871 568916390 /nfs/dbraw/zinc/91/63/90/568916390.db2.gz RHIHCEKFLDFGHO-UHFFFAOYSA-N 0 0 446.124 5.341 50 0 IKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000001848547 568916583 /nfs/dbraw/zinc/91/65/83/568916583.db2.gz XMXNLTGUCDRGDL-UHFFFAOYSA-N 0 0 449.542 5.946 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)cc1C ZINC000001850228 568916726 /nfs/dbraw/zinc/91/67/26/568916726.db2.gz LRCNLBSIVHXWNB-UHFFFAOYSA-N 0 0 447.585 5.716 50 0 IKAARN Clc1ccc(N2CCN(c3ccc(Cl)cc3)C2c2ccc(Br)cc2)cc1 ZINC000001882121 568917410 /nfs/dbraw/zinc/91/74/10/568917410.db2.gz MFTHTKHBWUPRLX-UHFFFAOYSA-N 0 0 448.191 6.781 50 0 IKAARN CCc1ccc(S(=O)(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000001882024 568917525 /nfs/dbraw/zinc/91/75/25/568917525.db2.gz UVSUZXAOKNUTII-UHFFFAOYSA-N 0 0 434.555 6.284 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccccc1OC ZINC000001893025 568917734 /nfs/dbraw/zinc/91/77/34/568917734.db2.gz KTSMNNXZTPRZHJ-UHFFFAOYSA-N 0 0 439.533 5.398 50 0 IKAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001893742 568917768 /nfs/dbraw/zinc/91/77/68/568917768.db2.gz MGHFIBWEJLTTTB-UHFFFAOYSA-N 0 0 433.536 6.376 50 0 IKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(Br)cc3)c2c1 ZINC000001892513 568917788 /nfs/dbraw/zinc/91/77/88/568917788.db2.gz GFPMPICMGHJLBT-XTCLZLMSSA-N 0 0 434.333 6.666 50 0 IKAARN CCCc1cc2c(cc1OCc1cccc(C(F)(F)F)c1)oc(=O)cc2-c1ccccc1 ZINC000001902803 568918564 /nfs/dbraw/zinc/91/85/64/568918564.db2.gz QJJHDAIATFKLGS-UHFFFAOYSA-N 0 0 438.445 7.010 50 0 IKAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(F)cc3)cc21 ZINC000001902477 568918636 /nfs/dbraw/zinc/91/86/36/568918636.db2.gz GJSKERFOPKJCNI-UHFFFAOYSA-N 0 0 437.261 5.025 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCc4cccc(C(F)(F)F)c4)ccc23)cc1 ZINC000001902808 568918650 /nfs/dbraw/zinc/91/86/50/568918650.db2.gz IDLKXCQDOBYZKT-UHFFFAOYSA-N 0 0 440.417 6.375 50 0 IKAARN CC(C)CN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)CC(C)(C)C ZINC000016497538 568919255 /nfs/dbraw/zinc/91/92/55/568919255.db2.gz BEZWOVBEDQRXAB-UHFFFAOYSA-N 0 0 435.561 5.014 50 0 IKAARN Cc1c(Cl)cccc1NC1=C(Sc2ccccc2)C(=O)N(Cc2ccccc2)C1=O ZINC000001907277 568919449 /nfs/dbraw/zinc/91/94/49/568919449.db2.gz ZKPZJCNCYPTOCC-UHFFFAOYSA-N 0 0 434.948 5.633 50 0 IKAARN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)COc2ccccc2C)cc1 ZINC000006472294 568919861 /nfs/dbraw/zinc/91/98/61/568919861.db2.gz ZJOYIYRLPJCFJU-HSZRJFAPSA-N 0 0 448.485 5.102 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000006474773 568920352 /nfs/dbraw/zinc/92/03/52/568920352.db2.gz OLTCHSGKXXGVHS-UHFFFAOYSA-N 0 0 442.588 6.199 50 0 IKAARN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(Br)o1 ZINC000016526138 568921048 /nfs/dbraw/zinc/92/10/48/568921048.db2.gz FBVVQZBFGCWWSL-UHFFFAOYSA-N 0 0 433.261 6.256 50 0 IKAARN Cc1ccc(CSc2ncnc3scc(-c4ccc(Br)cc4)c32)cc1 ZINC000001911887 568922303 /nfs/dbraw/zinc/92/23/03/568922303.db2.gz XAKKNEFTWUWSFI-UHFFFAOYSA-N 0 0 427.392 6.722 50 0 IKAARN CC(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000001916469 568922428 /nfs/dbraw/zinc/92/24/28/568922428.db2.gz NTQLSMAXGLXPSY-UHFFFAOYSA-N 0 0 428.557 6.618 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OCc3ccccc3C)cc2oc1C(F)(F)F ZINC000001915197 568922471 /nfs/dbraw/zinc/92/24/71/568922471.db2.gz ONPRPZWHFFEZHB-UHFFFAOYSA-N 0 0 440.417 6.375 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000001916191 568922473 /nfs/dbraw/zinc/92/24/73/568922473.db2.gz KTAOHJKIOGIMCF-UHFFFAOYSA-N 0 0 430.548 5.916 50 0 IKAARN COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001916565 568922513 /nfs/dbraw/zinc/92/25/13/568922513.db2.gz DHQCELYZIASGJJ-MRXNPFEDSA-N 0 0 429.582 5.320 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3cccc(F)c3)cc2)cc1 ZINC000035793686 568923031 /nfs/dbraw/zinc/92/30/31/568923031.db2.gz UMELCFXLHWZZJD-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)n1 ZINC000035794501 568923128 /nfs/dbraw/zinc/92/31/28/568923128.db2.gz KDTOXPVNPLQFGG-UHFFFAOYSA-N 0 0 447.470 5.125 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(=O)NC2CCCCC2)C1 ZINC000006489710 568923234 /nfs/dbraw/zinc/92/32/34/568923234.db2.gz IKQVGOMEZVXHBD-INIZCTEOSA-N 0 0 428.598 5.788 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)cc1 ZINC000006489877 568923257 /nfs/dbraw/zinc/92/32/57/568923257.db2.gz OBKGAMJLHNSALK-FQEVSTJZSA-N 0 0 429.560 5.988 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccccc1C ZINC000001935455 568923499 /nfs/dbraw/zinc/92/34/99/568923499.db2.gz VOSQSJDBZLOIDG-UHFFFAOYSA-N 0 0 429.925 5.571 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1ccc(Cl)cc1 ZINC000001927620 568923518 /nfs/dbraw/zinc/92/35/18/568923518.db2.gz VOABRXUNCHAGRF-UHFFFAOYSA-N 0 0 449.956 6.115 50 0 IKAARN O=C1OC(c2ccccc2Br)=NC1=CNc1cc(Cl)c(Cl)cc1Cl ZINC000001957029 568923745 /nfs/dbraw/zinc/92/37/45/568923745.db2.gz NSNQPEXIGKJBDH-AUWJEWJLSA-N 0 0 446.515 5.666 50 0 IKAARN O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccccc3F)ccc12 ZINC000001960880 568923945 /nfs/dbraw/zinc/92/39/45/568923945.db2.gz KJNZWGONPIFJKQ-UHFFFAOYSA-N 0 0 441.252 6.066 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(Cl)cc1Cl ZINC000001958188 568924074 /nfs/dbraw/zinc/92/40/74/568924074.db2.gz ALCTYGHEUHXSDX-UHFFFAOYSA-N 0 0 435.669 6.846 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001966398 568924077 /nfs/dbraw/zinc/92/40/77/568924077.db2.gz CEPVYYYETFLMFY-UHFFFAOYSA-N 0 0 425.525 6.281 50 0 IKAARN O=C(COC(=O)c1ccccc1Br)Nc1ccc(Oc2ccccc2)cc1 ZINC000001973245 568924235 /nfs/dbraw/zinc/92/42/35/568924235.db2.gz XCZQQSYIYFOPTP-UHFFFAOYSA-N 0 0 426.266 5.037 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856809 568924565 /nfs/dbraw/zinc/92/45/65/568924565.db2.gz FKKMHJUUPABHDA-VWNXMTODSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN Cc1oc2cc(OC(=O)/C=C/c3ccccc3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000002132395 568925021 /nfs/dbraw/zinc/92/50/21/568925021.db2.gz PPZKTOKWFSEHQF-KPKJPENVSA-N 0 0 440.451 5.158 50 0 biogenic IKAARN CCCCCc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000016601961 568925209 /nfs/dbraw/zinc/92/52/09/568925209.db2.gz BBZKIWRPLGDOJN-QHCPKHFHSA-N 0 0 433.552 5.845 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)c3ccccc3)c2)N2CCCSC2=N1 ZINC000016613598 568925780 /nfs/dbraw/zinc/92/57/80/568925780.db2.gz UDTPFOHJNZINMN-QFIPXVFZSA-N 0 0 449.576 5.014 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004027882 568926055 /nfs/dbraw/zinc/92/60/55/568926055.db2.gz DOVLLBJUFCRBLE-NDEPHWFRSA-N 0 0 437.624 6.130 50 0 biogenic IKAARN Cc1ccccc1-c1nc(OCC(C)C)nn1-c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000035806789 568926122 /nfs/dbraw/zinc/92/61/22/568926122.db2.gz LNMGNLUJLMYQHL-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000035806657 568926134 /nfs/dbraw/zinc/92/61/34/568926134.db2.gz KQWFGVINULFZFF-UHFFFAOYSA-N 0 0 442.397 5.197 50 0 IKAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000035806658 568926180 /nfs/dbraw/zinc/92/61/80/568926180.db2.gz PHWIFVPBPATNLX-UHFFFAOYSA-N 0 0 446.473 5.727 50 0 IKAARN COc1ccc(-c2ccc(CNC(=O)Nc3ccc(Cl)cc3)c3cnccc23)cc1C ZINC000035844634 568929133 /nfs/dbraw/zinc/92/91/33/568929133.db2.gz NAPYYEMZJRPVAR-UHFFFAOYSA-N 0 0 431.923 6.194 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)cc1 ZINC000064452326 568929135 /nfs/dbraw/zinc/92/91/35/568929135.db2.gz DRGLJHBXYQTDAJ-GOSISDBHSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1cccc(Br)c1 ZINC000064459719 568929381 /nfs/dbraw/zinc/92/93/81/568929381.db2.gz FHGQHQBFIRIBKP-LBPRGKRZSA-N 0 0 445.386 5.251 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)ccc2c1 ZINC000006525638 568929636 /nfs/dbraw/zinc/92/96/36/568929636.db2.gz MIQWJXJGTXMVNG-BYIOMEFUSA-N 0 0 426.553 5.499 50 0 IKAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1cccs1 ZINC000016653652 568929682 /nfs/dbraw/zinc/92/96/82/568929682.db2.gz KEBRLCIPNLKHEW-INIZCTEOSA-N 0 0 447.553 5.096 50 0 IKAARN CCOc1ccccc1CNC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000064472773 568929754 /nfs/dbraw/zinc/92/97/54/568929754.db2.gz JMQXGNGNMOAEOV-UHFFFAOYSA-N 0 0 436.964 6.188 50 0 IKAARN COc1ccc(-c2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2-n2cccc2)cc1 ZINC000064472800 568929795 /nfs/dbraw/zinc/92/97/95/568929795.db2.gz ZBFAWCIEQSERRC-UHFFFAOYSA-N 0 0 432.501 5.238 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1)N1CCSCC1 ZINC000064471932 568929851 /nfs/dbraw/zinc/92/98/51/568929851.db2.gz IIFSMASGXMUJQG-UHFFFAOYSA-N 0 0 446.345 5.069 50 0 IKAARN COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCCC1 ZINC000169249618 568929925 /nfs/dbraw/zinc/92/99/25/568929925.db2.gz PZSGIJHQWSVBNM-UHFFFAOYSA-N 0 0 440.543 6.574 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 ZINC000064472491 568929964 /nfs/dbraw/zinc/92/99/64/568929964.db2.gz ITLUSOYJMOAJCF-UHFFFAOYSA-N 0 0 430.529 5.943 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1scc(-c2cccc(C)c2)c1-n1cccc1 ZINC000064472517 568929978 /nfs/dbraw/zinc/92/99/78/568929978.db2.gz AWPGCLNJUWKKGY-UHFFFAOYSA-N 0 0 436.964 6.737 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Br)N1CCSCC1 ZINC000064471942 568930025 /nfs/dbraw/zinc/93/00/25/568930025.db2.gz QXZCXCXYWQIVSJ-UHFFFAOYSA-N 0 0 446.345 5.069 50 0 IKAARN COc1ccc(CNC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1OC ZINC000064472522 568930096 /nfs/dbraw/zinc/93/00/96/568930096.db2.gz UAQSLSJZUBHEOO-UHFFFAOYSA-N 0 0 432.545 5.461 50 0 IKAARN COc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1Cl ZINC000064471993 568930100 /nfs/dbraw/zinc/93/01/00/568930100.db2.gz XCJSIUQAMSKAPR-UHFFFAOYSA-N 0 0 446.334 5.538 50 0 IKAARN Cc1cc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)ccc1Br ZINC000064471983 568930104 /nfs/dbraw/zinc/93/01/04/568930104.db2.gz BUXCWCQTKVJGES-UHFFFAOYSA-N 0 0 428.305 5.424 50 0 IKAARN COc1ccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1OC ZINC000064474160 568930195 /nfs/dbraw/zinc/93/01/95/568930195.db2.gz PLEMHDCZGNADDV-UHFFFAOYSA-N 0 0 435.911 5.243 50 0 IKAARN Cc1cc(C)cc(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000064473345 568930312 /nfs/dbraw/zinc/93/03/12/568930312.db2.gz RYYISPCDOSBKKS-UHFFFAOYSA-N 0 0 433.943 5.112 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473202 568930393 /nfs/dbraw/zinc/93/03/93/568930393.db2.gz ZZRYUKLGLCJWBD-UHFFFAOYSA-N 0 0 437.906 5.024 50 0 IKAARN COc1ccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)cc1OC ZINC000064473036 568930411 /nfs/dbraw/zinc/93/04/11/568930411.db2.gz DEAMVKQMNBIEOH-UHFFFAOYSA-N 0 0 427.913 5.225 50 0 IKAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000035890622 568931030 /nfs/dbraw/zinc/93/10/30/568931030.db2.gz GHLIYOVKRJZHLF-UHFFFAOYSA-N 0 0 443.595 5.294 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000035928538 568931591 /nfs/dbraw/zinc/93/15/91/568931591.db2.gz RFHPWONMNVAKAO-CFWGEQFBSA-N 0 0 443.572 5.183 50 0 IKAARN CC(C)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000064557962 568931956 /nfs/dbraw/zinc/93/19/56/568931956.db2.gz SOXBCSYQXMRUDT-QFIPXVFZSA-N 0 0 433.529 5.141 50 0 IKAARN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064558215 568932158 /nfs/dbraw/zinc/93/21/58/568932158.db2.gz CDDLAIPGLHXNGI-QHCPKHFHSA-N 0 0 447.556 5.197 50 0 IKAARN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558174 568932169 /nfs/dbraw/zinc/93/21/69/568932169.db2.gz PGAHIFZVOBRPJQ-QHCPKHFHSA-N 0 0 447.556 5.450 50 0 IKAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)CC(C)(C)C)c1 ZINC000035944386 568932330 /nfs/dbraw/zinc/93/23/30/568932330.db2.gz ZRIUVHPKLALDPB-UHFFFAOYSA-N 0 0 438.616 5.248 50 0 IKAARN COc1ccc(Oc2cc(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)ncn2)cc1 ZINC000064568528 568933714 /nfs/dbraw/zinc/93/37/14/568933714.db2.gz XUZGEWYETCULQO-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN CCOc1ccc(OCC)c(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)c1 ZINC000064568418 568933746 /nfs/dbraw/zinc/93/37/46/568933746.db2.gz MMCNUIJTXOOJLJ-UHFFFAOYSA-N 0 0 433.552 5.648 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000064567889 568933777 /nfs/dbraw/zinc/93/37/77/568933777.db2.gz QQPWZCFNQANXAC-UHFFFAOYSA-N 0 0 439.924 5.478 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCc4ccc(C)cc4)cc3)ncn2)c1 ZINC000064568601 568933856 /nfs/dbraw/zinc/93/38/56/568933856.db2.gz NMPWCZNUIBWTOU-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1cccc(Oc2cc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)ncn2)c1 ZINC000064578495 568933904 /nfs/dbraw/zinc/93/39/04/568933904.db2.gz SZSKXJFTPVYKDG-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc(OC)c1 ZINC000064578646 568934014 /nfs/dbraw/zinc/93/40/14/568934014.db2.gz PGZRUPXWXOKTAU-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccccc4OC)c3)ncn2)cc1 ZINC000064578369 568934113 /nfs/dbraw/zinc/93/41/13/568934113.db2.gz SKLWMVJMDFAZKV-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCc4ccc(F)cc4)c3)ncn2)cc1 ZINC000064578588 568934130 /nfs/dbraw/zinc/93/41/30/568934130.db2.gz QTVRSHZWLDQRNZ-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)ncn2)cc1 ZINC000064578407 568934223 /nfs/dbraw/zinc/93/42/23/568934223.db2.gz FDSPEGQSRDDCRZ-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN CCOc1ccccc1NC(=O)c1cccc(-c2cc(Oc3ccccc3OC)ncn2)c1 ZINC000064578446 568934290 /nfs/dbraw/zinc/93/42/90/568934290.db2.gz MWQQSTKULWVEBP-UHFFFAOYSA-N 0 0 441.487 5.596 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4ccccc4Cl)c3)ncn2)cc1 ZINC000064578396 568934325 /nfs/dbraw/zinc/93/43/25/568934325.db2.gz HXCVZVKLKDMLFX-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1OC ZINC000006591650 568934677 /nfs/dbraw/zinc/93/46/77/568934677.db2.gz GAZAZNIWRNDPRY-QVKFZJNVSA-N 0 0 428.598 6.125 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cc2c(cc1N1CCCCC1)n(CC)c(=O)n2CC ZINC000064591067 568935420 /nfs/dbraw/zinc/93/54/20/568935420.db2.gz ZCNVYYANCGTTQE-UHFFFAOYSA-N 0 0 435.572 5.040 50 0 IKAARN CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000006601211 568936342 /nfs/dbraw/zinc/93/63/42/568936342.db2.gz OLGTZODHASYJNA-UHFFFAOYSA-N 0 0 445.475 5.072 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000035978744 568936366 /nfs/dbraw/zinc/93/63/66/568936366.db2.gz OEBHOILMXJXWGA-UHFFFAOYSA-N 0 0 436.531 5.350 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000035978713 568936448 /nfs/dbraw/zinc/93/64/48/568936448.db2.gz XFKMAUBKLKLRCV-UHFFFAOYSA-N 0 0 438.547 5.739 50 0 IKAARN c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)cc2)cc1 ZINC000002030654 568936877 /nfs/dbraw/zinc/93/68/77/568936877.db2.gz QJUDDNWGFYFRFN-UHFFFAOYSA-N 0 0 446.502 8.856 50 0 IKAARN CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000002030646 568936895 /nfs/dbraw/zinc/93/68/95/568936895.db2.gz PPOZJDHLKUGABS-FPWWFTSNSA-N 0 0 437.539 5.436 50 0 IKAARN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000002030643 568936930 /nfs/dbraw/zinc/93/69/30/568936930.db2.gz PPOZJDHLKUGABS-PAHSPFOQSA-N 0 0 437.539 5.436 50 0 IKAARN C[C@H]1CCc2sc3ncnc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3c2C1 ZINC000054290455 568937013 /nfs/dbraw/zinc/93/70/13/568937013.db2.gz MCVCOILFWLIGNN-AWEZNQCLSA-N 0 0 447.435 5.445 50 0 IKAARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000002031460 568937060 /nfs/dbraw/zinc/93/70/60/568937060.db2.gz JMCFKGJVXRIXEI-UHFFFAOYSA-N 0 0 446.934 5.372 50 0 IKAARN Cc1ccc(C23C[C@H]4C[C@H](CC(c5csc(NC(=O)c6ccccc6)n5)(C4)C2)C3)cc1 ZINC000002031406 568937071 /nfs/dbraw/zinc/93/70/71/568937071.db2.gz WLKSKVWOZAMKPC-YDXVBCDDSA-N 0 0 428.601 6.493 50 0 IKAARN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)s1 ZINC000089558986 568937608 /nfs/dbraw/zinc/93/76/08/568937608.db2.gz GWUGRWXXTBCGDP-GFCCVEGCSA-N 0 0 425.535 5.394 50 0 IKAARN O=C(N/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)N1CCCCC1)c1ccccc1 ZINC000027025124 568939246 /nfs/dbraw/zinc/93/92/46/568939246.db2.gz CIUHBSCXIQHCIU-XLNRJJMWSA-N 0 0 434.923 5.383 50 0 IKAARN CC(C)(C)c1ccc(/C=c2/sc3nc([C@@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 ZINC000027024218 568939250 /nfs/dbraw/zinc/93/92/50/568939250.db2.gz JPSWSTZSCDNWPX-FIOCRVBZSA-N 0 0 448.419 5.055 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)c(OC)c1 ZINC000064605889 568939801 /nfs/dbraw/zinc/93/98/01/568939801.db2.gz GQVXVYPZWNDIMI-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000013109971 568939841 /nfs/dbraw/zinc/93/98/41/568939841.db2.gz UTORIQWNEMFFDY-LJQANCHMSA-N 0 0 447.391 5.783 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605906 568939868 /nfs/dbraw/zinc/93/98/68/568939868.db2.gz JLYJGRMXXVLNMN-UHFFFAOYSA-N 0 0 432.886 5.610 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1F ZINC000064611061 568940083 /nfs/dbraw/zinc/94/00/83/568940083.db2.gz LAMQYZLXHIHCNJ-UHFFFAOYSA-N 0 0 435.503 5.172 50 0 IKAARN Cc1ccccc1NC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1 ZINC000004757756 568940258 /nfs/dbraw/zinc/94/02/58/568940258.db2.gz PAKMJHQIPQVBBR-UHFFFAOYSA-N 0 0 427.548 5.419 50 0 IKAARN Cc1ccc2nc(Nc3ccc(C(=O)Nc4ccccc4C)cc3)nc(-c3ccccc3)c2c1 ZINC000002064055 568941244 /nfs/dbraw/zinc/94/12/44/568941244.db2.gz FOZDVAYRXYNUPU-UHFFFAOYSA-N 0 0 444.538 6.910 50 0 IKAARN O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1ccc(COc2ccc(F)cc2)o1 ZINC000064658738 568942003 /nfs/dbraw/zinc/94/20/03/568942003.db2.gz NFEQYDDBVXMLTB-UHFFFAOYSA-N 0 0 442.490 5.766 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)cc2Cl)cc1 ZINC000064656816 568942151 /nfs/dbraw/zinc/94/21/51/568942151.db2.gz MGCKGKRSWKWZBU-HNNXBMFYSA-N 0 0 435.929 5.156 50 0 IKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656548 568942223 /nfs/dbraw/zinc/94/22/23/568942223.db2.gz MWULXBHTUBOFQW-IBGZPJMESA-N 0 0 441.574 5.234 50 0 IKAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(Cl)cc3)csc21 ZINC000064656845 568942328 /nfs/dbraw/zinc/94/23/28/568942328.db2.gz MIOKAHOYOIVYQU-INIZCTEOSA-N 0 0 447.965 5.107 50 0 IKAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Br)c(C)c2)CC3)cc1 ZINC000064660041 568942530 /nfs/dbraw/zinc/94/25/30/568942530.db2.gz WKWXPMQEIMCUEO-UHFFFAOYSA-N 0 0 442.382 5.780 50 0 IKAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1 ZINC000064660442 568942559 /nfs/dbraw/zinc/94/25/59/568942559.db2.gz UQWQJNCESMSYAL-UHFFFAOYSA-N 0 0 439.389 5.172 50 0 IKAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC3)cc1 ZINC000064660237 568942585 /nfs/dbraw/zinc/94/25/85/568942585.db2.gz DFTKGXCKZGUVAV-UHFFFAOYSA-N 0 0 442.606 5.079 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3cc(C)c(Br)c(C)c3)cc12 ZINC000064666304 568942736 /nfs/dbraw/zinc/94/27/36/568942736.db2.gz AJHUSDLZHFBHDM-UHFFFAOYSA-N 0 0 441.350 5.994 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(Br)cc3F)cc12 ZINC000064666301 568942771 /nfs/dbraw/zinc/94/27/71/568942771.db2.gz OMRBBWNDFLSHNP-UHFFFAOYSA-N 0 0 431.286 5.516 50 0 IKAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCc4cccc(Br)c4)cc32)cc1 ZINC000064664891 568942773 /nfs/dbraw/zinc/94/27/73/568942773.db2.gz WXQWKCWNXMJZGG-UHFFFAOYSA-N 0 0 434.337 5.086 50 0 IKAARN COc1cccc(CC(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)c1 ZINC000064666709 568942849 /nfs/dbraw/zinc/94/28/49/568942849.db2.gz OCBJQNOXUMCDDZ-UHFFFAOYSA-N 0 0 430.529 5.150 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)cc1 ZINC000064666712 568942872 /nfs/dbraw/zinc/94/28/72/568942872.db2.gz FTDSJKNNTGGWAN-UHFFFAOYSA-N 0 0 430.529 5.150 50 0 IKAARN CN1c2ccc(-c3noc(COc4ccc(Cl)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064666772 568942919 /nfs/dbraw/zinc/94/29/19/568942919.db2.gz CPDMFHLVYUYULF-UHFFFAOYSA-N 0 0 449.919 5.710 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000064667993 568942971 /nfs/dbraw/zinc/94/29/71/568942971.db2.gz ZJMLLAAHVWWLPM-GOSISDBHSA-N 0 0 447.604 5.238 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000064667967 568942976 /nfs/dbraw/zinc/94/29/76/568942976.db2.gz SBBZXNUAZIVODE-SFHVURJKSA-N 0 0 441.641 5.078 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1 ZINC000064669404 568943237 /nfs/dbraw/zinc/94/32/37/568943237.db2.gz NPOADWCORNFOPY-UHFFFAOYSA-N 0 0 443.522 6.933 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1 ZINC000064669418 568943253 /nfs/dbraw/zinc/94/32/53/568943253.db2.gz ZHCOTBFBMZZCDP-UHFFFAOYSA-N 0 0 443.522 6.303 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCc3cccs3)o2)cc1 ZINC000064669339 568943275 /nfs/dbraw/zinc/94/32/75/568943275.db2.gz GHIPHFQZFHPINT-UHFFFAOYSA-N 0 0 445.588 6.615 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCCC3)o2)o1 ZINC000064669345 568943279 /nfs/dbraw/zinc/94/32/79/568943279.db2.gz BOJWLLLNLQVAMG-UHFFFAOYSA-N 0 0 443.547 6.455 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669373 568943309 /nfs/dbraw/zinc/94/33/09/568943309.db2.gz ONAUENNJNMBZGP-UHFFFAOYSA-N 0 0 435.543 6.517 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCc3ccco3)o2)cc1 ZINC000064669355 568943332 /nfs/dbraw/zinc/94/33/32/568943332.db2.gz SWMKCRIFSIJLBQ-UHFFFAOYSA-N 0 0 443.547 6.189 50 0 IKAARN O=C(NCc1cccc(F)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669476 568943370 /nfs/dbraw/zinc/94/33/70/568943370.db2.gz VRKDITAEGHURBB-UHFFFAOYSA-N 0 0 447.485 6.133 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000064669539 568943411 /nfs/dbraw/zinc/94/34/11/568943411.db2.gz TZLBJQIPIRBVKJ-FQEVSTJZSA-N 0 0 437.515 5.363 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3ccccc3F)o2)cc1 ZINC000064669498 568943491 /nfs/dbraw/zinc/94/34/91/568943491.db2.gz FUZHJFVGHGCISJ-UHFFFAOYSA-N 0 0 443.522 6.303 50 0 IKAARN Cc1ccccc1CNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669473 568943521 /nfs/dbraw/zinc/94/35/21/568943521.db2.gz HLCIRFXTANBFCL-UHFFFAOYSA-N 0 0 443.522 6.303 50 0 IKAARN O=C(c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1)N1CCCCCC1 ZINC000064669524 568943524 /nfs/dbraw/zinc/94/35/24/568943524.db2.gz GRBMVAXZPFZMEA-UHFFFAOYSA-N 0 0 435.543 6.471 50 0 IKAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3Br)no2)cn1-c1ccccc1 ZINC000064664187 568943597 /nfs/dbraw/zinc/94/35/97/568943597.db2.gz WIFOJFTYUNJYPK-UHFFFAOYSA-N 0 0 444.288 5.470 50 0 IKAARN Cc1ccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)cc1C ZINC000064664388 568943718 /nfs/dbraw/zinc/94/37/18/568943718.db2.gz GMDGSVAXEKVBNS-UHFFFAOYSA-N 0 0 426.343 5.019 50 0 IKAARN O=C(CCc1c(-c2ccccc2)nc2ccccn21)Nc1ccc(Br)cc1F ZINC000064675837 568943732 /nfs/dbraw/zinc/94/37/32/568943732.db2.gz MUBJAXDUASPRHH-UHFFFAOYSA-N 0 0 438.300 5.474 50 0 IKAARN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)Nc1cccc(C(F)(F)F)c1 ZINC000064675658 568943737 /nfs/dbraw/zinc/94/37/37/568943737.db2.gz YDZULRMITKVHMR-UHFFFAOYSA-N 0 0 443.856 6.245 50 0 IKAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)NC1CCCCCC1 ZINC000064675750 568943740 /nfs/dbraw/zinc/94/37/40/568943740.db2.gz AYEWXSGPJWPWBR-UHFFFAOYSA-N 0 0 440.385 5.535 50 0 IKAARN Cc1ccc(CNC(=O)CCc2c(-c3ccc(Br)cc3)nc3ccccn32)cc1 ZINC000064675763 568943780 /nfs/dbraw/zinc/94/37/80/568943780.db2.gz CQNSSQQTJCGRJF-UHFFFAOYSA-N 0 0 448.364 5.321 50 0 IKAARN Cc1ccccc1NC(=O)Cc1csc2nc(-c3cccc(Br)c3)cn12 ZINC000064676318 568943951 /nfs/dbraw/zinc/94/39/51/568943951.db2.gz DNMRKOVYYXQWDL-UHFFFAOYSA-N 0 0 426.339 5.315 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4C)C3=O)cc2)cc1C ZINC000064687745 568943981 /nfs/dbraw/zinc/94/39/81/568943981.db2.gz DIINBVVDJRNDHW-UHFFFAOYSA-N 0 0 427.548 5.696 50 0 IKAARN Cc1ccc(-c2cn3c(CC(=O)Nc4cccc(Br)c4)csc3n2)cc1 ZINC000064676157 568943991 /nfs/dbraw/zinc/94/39/91/568943991.db2.gz SJFKQGUCYMFLIW-UHFFFAOYSA-N 0 0 426.339 5.315 50 0 IKAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)Nc1ccc(F)cc1 ZINC000064676313 568944045 /nfs/dbraw/zinc/94/40/45/568944045.db2.gz BEAXQDMFHTZSAE-UHFFFAOYSA-N 0 0 430.302 5.146 50 0 IKAARN CCc1ccc(NC(=O)Cn2nc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc32)cc1 ZINC000064677135 568944060 /nfs/dbraw/zinc/94/40/60/568944060.db2.gz FORJPYCGGVITLW-UHFFFAOYSA-N 0 0 437.503 5.263 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000064687798 568944079 /nfs/dbraw/zinc/94/40/79/568944079.db2.gz FBXCHYAITJCOAA-UHFFFAOYSA-N 0 0 447.966 5.411 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3cccc(C)c3)C2=O)cc1 ZINC000064687830 568944154 /nfs/dbraw/zinc/94/41/54/568944154.db2.gz DFENTUBVPTWWDH-UHFFFAOYSA-N 0 0 443.547 5.478 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)NCc4ccccc4Cl)cc3)C2=O)c1 ZINC000064687843 568944211 /nfs/dbraw/zinc/94/42/11/568944211.db2.gz NWONJXVODYXOBY-UHFFFAOYSA-N 0 0 447.966 5.411 50 0 IKAARN Cc1ccc(CSc2nc3c4cccnc4sc3c(=O)n2CCc2ccccc2)cc1 ZINC000064700061 568944324 /nfs/dbraw/zinc/94/43/24/568944324.db2.gz NMDPMOJPKFRFRM-UHFFFAOYSA-N 0 0 443.597 5.850 50 0 IKAARN O=c1c2sc3ncccc3c2nc(SCc2ccccc2)n1CCc1ccccc1 ZINC000064700053 568944386 /nfs/dbraw/zinc/94/43/86/568944386.db2.gz HHZOPDSFVGWDTF-UHFFFAOYSA-N 0 0 429.570 5.541 50 0 IKAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(C)cc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065298 568944909 /nfs/dbraw/zinc/94/49/09/568944909.db2.gz LXJXDCULSAPUDV-UHFFFAOYSA-N 0 0 445.485 5.296 50 0 IKAARN CCNC(=O)c1cccc(CSc2nc(N(C)Cc3ccccc3)cc(C(C)(C)C)n2)c1 ZINC000036065195 568944919 /nfs/dbraw/zinc/94/49/19/568944919.db2.gz OVFJSMYLUTUBSY-UHFFFAOYSA-N 0 0 448.636 5.453 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2cccc(F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065458 568945026 /nfs/dbraw/zinc/94/50/26/568945026.db2.gz QDYMEZRDBPVNIN-UHFFFAOYSA-N 0 0 449.448 5.173 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(Cl)c1 ZINC000036063865 568945143 /nfs/dbraw/zinc/94/51/43/568945143.db2.gz BTQWXLGDSFEVFF-GOSISDBHSA-N 0 0 449.938 5.614 50 0 IKAARN COc1cccc(CN(Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065586 568945296 /nfs/dbraw/zinc/94/52/96/568945296.db2.gz VBAFMKZWDHNJIH-PMACEKPBSA-N 0 0 435.568 5.221 50 0 IKAARN CC(C)[C@H](C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069135 568945486 /nfs/dbraw/zinc/94/54/86/568945486.db2.gz FFMQXSPOBFMTJS-INIZCTEOSA-N 0 0 449.473 5.263 50 0 IKAARN CC(C)(C)c1ccc(CN(Cc2nc(C(=O)N3CCCCC3)co2)Cc2ccccc2)cc1 ZINC000036073093 568945733 /nfs/dbraw/zinc/94/57/33/568945733.db2.gz XXLZOFJQRLMNFJ-UHFFFAOYSA-N 0 0 445.607 5.801 50 0 IKAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@H](C)c2ccccc2)n1 ZINC000036073449 568945911 /nfs/dbraw/zinc/94/59/11/568945911.db2.gz KZVUOUWRXYFRMX-QGZVFWFLSA-N 0 0 427.495 5.102 50 0 IKAARN CC(C)c1ccc(CN(Cc2nc(C(=O)N3CCCCC3)co2)Cc2ccc(F)cc2)cc1 ZINC000036072387 568946052 /nfs/dbraw/zinc/94/60/52/568946052.db2.gz LBNDLTFAEXKLNQ-UHFFFAOYSA-N 0 0 449.570 5.766 50 0 IKAARN Cc1ccsc1CN(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(F)cc1 ZINC000036072350 568946105 /nfs/dbraw/zinc/94/61/05/568946105.db2.gz WDFDHKRSKWLRBC-UHFFFAOYSA-N 0 0 449.551 5.316 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2)n1 ZINC000036072310 568946124 /nfs/dbraw/zinc/94/61/24/568946124.db2.gz INGBOIZLFAAGGH-UHFFFAOYSA-N 0 0 447.485 5.085 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072233 568946126 /nfs/dbraw/zinc/94/61/26/568946126.db2.gz MLGAQWFYKUJLCN-KRWDZBQOSA-N 0 0 445.485 5.424 50 0 IKAARN O=C(NCc1ccccc1)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000036072280 568946140 /nfs/dbraw/zinc/94/61/40/568946140.db2.gz ZLZWODUNURHZAG-UHFFFAOYSA-N 0 0 445.950 5.460 50 0 IKAARN Cc1cccc(CN(Cc2nc(C(=O)NCc3ccccc3)co2)Cc2ccc(F)cc2)c1 ZINC000036072508 568946309 /nfs/dbraw/zinc/94/63/09/568946309.db2.gz KBOGXXJIRSVMOY-UHFFFAOYSA-N 0 0 443.522 5.255 50 0 IKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccccc2)c1 ZINC000036073729 568946342 /nfs/dbraw/zinc/94/63/42/568946342.db2.gz ANOJNTBGAYPWLW-UHFFFAOYSA-N 0 0 429.520 5.017 50 0 IKAARN CCN(C)C(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073690 568946431 /nfs/dbraw/zinc/94/64/31/568946431.db2.gz GJGRXNPQOBKZTA-UHFFFAOYSA-N 0 0 432.351 5.276 50 0 IKAARN CC(C)N(Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1Cl ZINC000036083028 568947023 /nfs/dbraw/zinc/94/70/23/568947023.db2.gz FOQLRLOOGJZVSP-INIZCTEOSA-N 0 0 446.378 5.883 50 0 IKAARN CC(C)NC(=O)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)[C@H](C)c2ccccc2)n1 ZINC000036083092 568947025 /nfs/dbraw/zinc/94/70/25/568947025.db2.gz JDDJLMSBGCXLIZ-MRXNPFEDSA-N 0 0 446.378 5.883 50 0 IKAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083679 568947375 /nfs/dbraw/zinc/94/73/75/568947375.db2.gz MYTOWZMKHGCFHC-JOCHJYFZSA-N 0 0 442.943 5.056 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)cc1Cl ZINC000064747759 568950029 /nfs/dbraw/zinc/95/00/29/568950029.db2.gz SKWKFQARDHFMFD-INIZCTEOSA-N 0 0 434.830 5.046 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747692 568950041 /nfs/dbraw/zinc/95/00/41/568950041.db2.gz HYCJQNQPLVCACF-MRXNPFEDSA-N 0 0 434.830 5.046 50 0 IKAARN O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747716 568950060 /nfs/dbraw/zinc/95/00/60/568950060.db2.gz DCPDSWZMIJBPJT-MRXNPFEDSA-N 0 0 449.255 5.146 50 0 IKAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2ccccc2C(F)(F)F)n1 ZINC000064748033 568950659 /nfs/dbraw/zinc/95/06/59/568950659.db2.gz NURJLQQFNNPPTG-UHFFFAOYSA-N 0 0 429.442 5.087 50 0 IKAARN CC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)c1 ZINC000064754650 568951007 /nfs/dbraw/zinc/95/10/07/568951007.db2.gz JPXYSBGNZWPMOX-NRFANRHFSA-N 0 0 441.531 5.054 50 0 IKAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)c1ccccc1 ZINC000036094464 568951145 /nfs/dbraw/zinc/95/11/45/568951145.db2.gz WCMFQHMDKDUCBS-MRXNPFEDSA-N 0 0 444.984 5.309 50 0 IKAARN COc1c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755678 568951187 /nfs/dbraw/zinc/95/11/87/568951187.db2.gz WUMROEKBGMFYTJ-UHFFFAOYSA-N 0 0 443.503 5.320 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(N(C)C)cc3)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755680 568951203 /nfs/dbraw/zinc/95/12/03/568951203.db2.gz BPLRJKNDLCFYLO-UHFFFAOYSA-N 0 0 443.503 5.320 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(C)c(F)c3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755776 568951338 /nfs/dbraw/zinc/95/13/38/568951338.db2.gz WSUJYMYBGCOAFG-UHFFFAOYSA-N 0 0 436.414 5.533 50 0 IKAARN Cc1c(F)cccc1-n1nnc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1-c1ccccn1 ZINC000064757944 568952048 /nfs/dbraw/zinc/95/20/48/568952048.db2.gz BYYFNKPBNKGDTO-UHFFFAOYSA-N 0 0 441.388 5.048 50 0 IKAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C(=O)CC(C)(C)C)C2)cc1 ZINC000006695189 568952390 /nfs/dbraw/zinc/95/23/90/568952390.db2.gz SQQCVBDOUSZPML-FQEVSTJZSA-N 0 0 428.960 5.307 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(C)C ZINC000006695232 568952446 /nfs/dbraw/zinc/95/24/46/568952446.db2.gz QSKBCHYWCAGTLN-UHFFFAOYSA-N 0 0 427.564 5.317 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(Cc1ccccc1)C(=O)C(C)(C)C ZINC000006695466 568952494 /nfs/dbraw/zinc/95/24/94/568952494.db2.gz SAJLZKCGQKNEPA-UHFFFAOYSA-N 0 0 435.612 5.456 50 0 IKAARN CCCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006696034 568952628 /nfs/dbraw/zinc/95/26/28/568952628.db2.gz CJLLZSPFKRBQFW-UHFFFAOYSA-N 0 0 427.564 5.319 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000006696211 568952678 /nfs/dbraw/zinc/95/26/78/568952678.db2.gz JVPCDDUAGWXBLL-XMMPIXPASA-N 0 0 435.612 5.424 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000006696498 568952757 /nfs/dbraw/zinc/95/27/57/568952757.db2.gz WGHHDINIXQWTFA-DVECYGJZSA-N 0 0 435.612 5.422 50 0 IKAARN O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104229 568952843 /nfs/dbraw/zinc/95/28/43/568952843.db2.gz ONKHKPJGCOUISI-NRFANRHFSA-N 0 0 435.873 5.199 50 0 IKAARN CCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105401 568952879 /nfs/dbraw/zinc/95/28/79/568952879.db2.gz WQIGIYCYZTVJPC-UHFFFAOYSA-N 0 0 428.985 6.045 50 0 IKAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccccc1C ZINC000036105380 568952896 /nfs/dbraw/zinc/95/28/96/568952896.db2.gz JYQCSIFPNOVPAK-UHFFFAOYSA-N 0 0 438.593 5.326 50 0 IKAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccccc1F ZINC000036105371 568952939 /nfs/dbraw/zinc/95/29/39/568952939.db2.gz HEZYLFNVPNKINQ-UHFFFAOYSA-N 0 0 442.556 5.157 50 0 IKAARN Cc1cc(C)cc(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)cs2)c1 ZINC000036105351 568952977 /nfs/dbraw/zinc/95/29/77/568952977.db2.gz FFSUMZYBJFKELK-UHFFFAOYSA-N 0 0 426.969 5.797 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(F)cc1 ZINC000036105494 568953168 /nfs/dbraw/zinc/95/31/68/568953168.db2.gz AURUZLXWDFKLKR-OAHLLOKOSA-N 0 0 432.948 5.956 50 0 IKAARN COCCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)C1CCCC1 ZINC000036105088 568953314 /nfs/dbraw/zinc/95/33/14/568953314.db2.gz NEJXKISMBFBHDC-UHFFFAOYSA-N 0 0 430.614 5.401 50 0 IKAARN CCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(Cl)cc1 ZINC000036105121 568953417 /nfs/dbraw/zinc/95/34/17/568953417.db2.gz AULVDYDBQDMPLW-UHFFFAOYSA-N 0 0 443.012 6.551 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Cc1ccccc1 ZINC000036105538 568953428 /nfs/dbraw/zinc/95/34/28/568953428.db2.gz APNJOBULBIFFHB-QGZVFWFLSA-N 0 0 428.985 5.745 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C2CC2)c1 ZINC000036105067 568953445 /nfs/dbraw/zinc/95/34/45/568953445.db2.gz VRUMLNPUFONJCD-UHFFFAOYSA-N 0 0 436.577 5.659 50 0 IKAARN COCCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1 ZINC000036105081 568953453 /nfs/dbraw/zinc/95/34/53/568953453.db2.gz LULGOTPIQUEQOU-UHFFFAOYSA-N 0 0 438.593 5.524 50 0 IKAARN COc1ccccc1OCc1nc(CN(C(=O)c2ccc(Cl)cc2)C(C)C)cs1 ZINC000036105723 568953475 /nfs/dbraw/zinc/95/34/75/568953475.db2.gz ZMFNHBOEHOWTSQ-UHFFFAOYSA-N 0 0 430.957 5.435 50 0 IKAARN Cc1cc(C)c(C)c(OCc2nc(CN(C(=O)c3ccccc3F)C(C)C)cs2)c1 ZINC000036105918 568953483 /nfs/dbraw/zinc/95/34/83/568953483.db2.gz ZXQLAZSHMQJUPY-UHFFFAOYSA-N 0 0 426.557 5.837 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccs1 ZINC000036105949 568953511 /nfs/dbraw/zinc/95/35/11/568953511.db2.gz YKQMMQKJPRSKBA-KRWDZBQOSA-N 0 0 428.623 6.150 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1F ZINC000036105971 568953532 /nfs/dbraw/zinc/95/35/32/568953532.db2.gz WNDATUNQCHGEED-GOSISDBHSA-N 0 0 440.584 6.227 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccccc1F ZINC000036105772 568953569 /nfs/dbraw/zinc/95/35/69/568953569.db2.gz NQZQNSNQPQXZAW-MRXNPFEDSA-N 0 0 428.529 5.311 50 0 IKAARN CCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036105635 568953584 /nfs/dbraw/zinc/95/35/84/568953584.db2.gz MHVZMTACEXKTSE-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(F)cc1 ZINC000036105736 568953601 /nfs/dbraw/zinc/95/36/01/568953601.db2.gz QLSGOFVZZQBVPA-INIZCTEOSA-N 0 0 428.529 5.311 50 0 IKAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)C1CCCC1 ZINC000036106090 568953612 /nfs/dbraw/zinc/95/36/12/568953612.db2.gz VGUIGPKHCYJKEE-UHFFFAOYSA-N 0 0 430.614 5.203 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036106707 568953660 /nfs/dbraw/zinc/95/36/60/568953660.db2.gz PSCZNBMWGFPNPS-INIZCTEOSA-N 0 0 444.984 5.825 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(C)cc1 ZINC000036106722 568953670 /nfs/dbraw/zinc/95/36/70/568953670.db2.gz HOJBEMRNGVMTNA-KRWDZBQOSA-N 0 0 428.985 6.125 50 0 IKAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106552 568953703 /nfs/dbraw/zinc/95/37/03/568953703.db2.gz JAVYAWILZRESKU-UHFFFAOYSA-N 0 0 444.984 5.363 50 0 IKAARN CCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036106112 568953794 /nfs/dbraw/zinc/95/37/94/568953794.db2.gz DCAWORVEDLRAAJ-UHFFFAOYSA-N 0 0 438.593 5.708 50 0 IKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)CC(C)C)cc1 ZINC000036106863 568953883 /nfs/dbraw/zinc/95/38/83/568953883.db2.gz RPWIHKALNAKSHN-UHFFFAOYSA-N 0 0 438.593 5.646 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1C ZINC000036106753 568953915 /nfs/dbraw/zinc/95/39/15/568953915.db2.gz OWVOKQBMMLVZRZ-KRWDZBQOSA-N 0 0 428.985 6.125 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036106757 568953983 /nfs/dbraw/zinc/95/39/83/568953983.db2.gz XIVQREFNUXGJTB-INIZCTEOSA-N 0 0 444.984 5.825 50 0 IKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)c1C ZINC000036107176 568953996 /nfs/dbraw/zinc/95/39/96/568953996.db2.gz AYBMMCXZUPZPKB-UHFFFAOYSA-N 0 0 443.012 6.291 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1F ZINC000036107036 568954010 /nfs/dbraw/zinc/95/40/10/568954010.db2.gz NAVBGQHGTNFVJU-UHFFFAOYSA-N 0 0 442.556 5.157 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccc(Cl)c2)C1)Nc1cccc(F)c1 ZINC000064775105 568954344 /nfs/dbraw/zinc/95/43/44/568954344.db2.gz HFJHQIMQZGNEEZ-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2N=C(c2cccc(Cl)c2)C1 ZINC000064775114 568954396 /nfs/dbraw/zinc/95/43/96/568954396.db2.gz HWNFMIBXZWOJLY-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)cc1C ZINC000064775440 568954521 /nfs/dbraw/zinc/95/45/21/568954521.db2.gz BTYQFIIUUASHAA-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cc(Cl)ccc3C)C2)cc1 ZINC000064775397 568954537 /nfs/dbraw/zinc/95/45/37/568954537.db2.gz HIQKBKVSEFGNOX-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccs2)C1)Nc1ccc(Cl)cc1 ZINC000064775394 568954554 /nfs/dbraw/zinc/95/45/54/568954554.db2.gz ORTSIBORKLLBFS-UHFFFAOYSA-N 0 0 425.966 6.328 50 0 IKAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(F)cc1 ZINC000036114228 568955072 /nfs/dbraw/zinc/95/50/72/568955072.db2.gz OHVOZHDDRYFCKF-UHFFFAOYSA-N 0 0 442.556 5.157 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115199 568955106 /nfs/dbraw/zinc/95/51/06/568955106.db2.gz PHMCFZYKPAXZSP-IBGZPJMESA-N 0 0 437.609 6.480 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114845 568955232 /nfs/dbraw/zinc/95/52/32/568955232.db2.gz BQMCQRGVHQCGNN-KRWDZBQOSA-N 0 0 428.985 6.125 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1cccs1 ZINC000036114942 568955454 /nfs/dbraw/zinc/95/54/54/568955454.db2.gz ZSWZMEJABSGISC-OAHLLOKOSA-N 0 0 446.594 5.242 50 0 IKAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1cccc(C)c1 ZINC000036115053 568955466 /nfs/dbraw/zinc/95/54/66/568955466.db2.gz DSUSJMFUMAKBNC-UHFFFAOYSA-N 0 0 446.572 5.473 50 0 IKAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)c2ccccc2C)C(C)C)cs1 ZINC000036114932 568955467 /nfs/dbraw/zinc/95/54/67/568955467.db2.gz FPVBIEUJVLVZFG-UHFFFAOYSA-N 0 0 440.565 5.099 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000006704534 568956781 /nfs/dbraw/zinc/95/67/81/568956781.db2.gz APSSZSIDDMCLAM-MZNJEOGPSA-N 0 0 428.573 6.068 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000006704536 568956814 /nfs/dbraw/zinc/95/68/14/568956814.db2.gz APSSZSIDDMCLAM-OSPHWJPCSA-N 0 0 428.573 6.068 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064787999 568956818 /nfs/dbraw/zinc/95/68/18/568956818.db2.gz NCIHPRWJIKMVGS-UHFFFAOYSA-N 0 0 449.841 5.348 50 0 IKAARN CCOc1cccc2c1cc(C(=O)N[C@H](C)c1ccccc1)n2CCCc1ccccc1 ZINC000006705333 568957451 /nfs/dbraw/zinc/95/74/51/568957451.db2.gz STOOIJJSFBNKCV-OAQYLSRUSA-N 0 0 426.560 6.164 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)[C@@H](C)CC)c1ccccc1 ZINC000006708350 568958939 /nfs/dbraw/zinc/95/89/39/568958939.db2.gz FSKUUUCFABCITH-GBXCKJPGSA-N 0 0 437.628 5.668 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)c1 ZINC000064791506 568958971 /nfs/dbraw/zinc/95/89/71/568958971.db2.gz RBTMRUHNMWAIEF-UHFFFAOYSA-N 0 0 449.518 5.107 50 0 IKAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccc(F)cc2)n1Cc1ccco1 ZINC000064794474 568959862 /nfs/dbraw/zinc/95/98/62/568959862.db2.gz VKXZLKVDHSDJFA-UHFFFAOYSA-N 0 0 437.525 5.210 50 0 IKAARN Cc1ccc(C)c(CSc2nnc(-c3sc4ncccc4c3N)n2Cc2ccco2)c1 ZINC000064794356 568959972 /nfs/dbraw/zinc/95/99/72/568959972.db2.gz SUQRORQZJKEZOA-UHFFFAOYSA-N 0 0 447.589 5.687 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)[C@H](C)C(C)C)c1 ZINC000006713028 568960917 /nfs/dbraw/zinc/96/09/17/568960917.db2.gz NVGWRXTVKZVMGX-GOSISDBHSA-N 0 0 429.630 5.486 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c(C)c1 ZINC000064801397 568961040 /nfs/dbraw/zinc/96/10/40/568961040.db2.gz VGLGYMZOKTUEST-UHFFFAOYSA-N 0 0 444.583 6.534 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1 ZINC000064800938 568961334 /nfs/dbraw/zinc/96/13/34/568961334.db2.gz WUZRZGAXRQOVCJ-UHFFFAOYSA-N 0 0 431.540 5.170 50 0 IKAARN CSc1cccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064801519 568961454 /nfs/dbraw/zinc/96/14/54/568961454.db2.gz ADIHBPQSDWCEPR-UHFFFAOYSA-N 0 0 448.596 5.885 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nc(N2CCCCC2)n1 ZINC000064801534 568961585 /nfs/dbraw/zinc/96/15/85/568961585.db2.gz PFYNHNDKFRDMKJ-UHFFFAOYSA-N 0 0 438.482 5.441 50 0 IKAARN CCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)c2cccs2)cc1 ZINC000036145400 568961778 /nfs/dbraw/zinc/96/17/78/568961778.db2.gz YIOHCHXSMFUIIU-UHFFFAOYSA-N 0 0 445.544 5.649 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000006721970 568962732 /nfs/dbraw/zinc/96/27/32/568962732.db2.gz WGEWABHITMUHAQ-HXUWFJFHSA-N 0 0 437.628 5.877 50 0 IKAARN CC(C)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006722300 568962941 /nfs/dbraw/zinc/96/29/41/568962941.db2.gz MKPKZTMPFUYRFL-HXUWFJFHSA-N 0 0 437.628 5.873 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722181 568963005 /nfs/dbraw/zinc/96/30/05/568963005.db2.gz QJJKTDMFGOZZGV-KRWDZBQOSA-N 0 0 425.548 5.071 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006722761 568963121 /nfs/dbraw/zinc/96/31/21/568963121.db2.gz PFRHSJAQPSSYQB-SFHVURJKSA-N 0 0 430.637 5.236 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C2CCCCC2)c1 ZINC000006722596 568963147 /nfs/dbraw/zinc/96/31/47/568963147.db2.gz PAENUPFBHAOWPV-UHFFFAOYSA-N 0 0 427.614 5.384 50 0 IKAARN CC(C)(C)c1ccc([C@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc32)cc1 ZINC000006724261 568963280 /nfs/dbraw/zinc/96/32/80/568963280.db2.gz PTTLAODZWYEISU-DEOSSOPVSA-N 0 0 425.576 5.741 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(C)c1)C(=O)N2Cc1ccccc1 ZINC000036151657 568963373 /nfs/dbraw/zinc/96/33/73/568963373.db2.gz HXBDGDFZAYYEBJ-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@]23c2cc(C)ccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036151653 568963387 /nfs/dbraw/zinc/96/33/87/568963387.db2.gz PUBDVGHMTUDABR-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@]2(SC(C)(C)CN2C(=O)c2cccs2)C1=O ZINC000036153059 568963419 /nfs/dbraw/zinc/96/34/19/568963419.db2.gz GXTWCKLDXPEBAM-VWLOTQADSA-N 0 0 448.613 5.424 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SC(C)(C)CN2C(=O)c2cccs2)C1=O ZINC000036153054 568963453 /nfs/dbraw/zinc/96/34/53/568963453.db2.gz GXTWCKLDXPEBAM-RUZDIDTESA-N 0 0 448.613 5.424 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(SC(C)(C)CN1C(=O)c1cccs1)C(=O)N2Cc1ccccc1 ZINC000036152187 568963556 /nfs/dbraw/zinc/96/35/56/568963556.db2.gz SCDTZVMFLKLUOS-RUZDIDTESA-N 0 0 448.613 5.424 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)c2cccc(Cl)c2)C1=O ZINC000036152641 568963636 /nfs/dbraw/zinc/96/36/36/568963636.db2.gz BABDGIOLENTDCS-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN CC1(C)CN(C(=O)c2ccccc2F)[C@@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152976 568963767 /nfs/dbraw/zinc/96/37/67/568963767.db2.gz BOEGDZXWEHSKJR-AREMUKBSSA-N 0 0 446.547 5.193 50 0 IKAARN CC1(C)CN(C(=O)c2ccccc2F)[C@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152979 568963874 /nfs/dbraw/zinc/96/38/74/568963874.db2.gz BOEGDZXWEHSKJR-SANMLTNESA-N 0 0 446.547 5.193 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)Nc2ccc(F)cc2)C1=O ZINC000036151500 568964263 /nfs/dbraw/zinc/96/42/63/568964263.db2.gz DFYRODVRVNEPKO-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817206 568964365 /nfs/dbraw/zinc/96/43/65/568964365.db2.gz BQOJAPGDRDYVKG-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817326 568964464 /nfs/dbraw/zinc/96/44/64/568964464.db2.gz UKZXOQMAUDLLEK-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817328 568964479 /nfs/dbraw/zinc/96/44/79/568964479.db2.gz RMGQADJTMPWMDI-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(CC(C)C)cc3)c(C)o2)cc1 ZINC000064817899 568964932 /nfs/dbraw/zinc/96/49/32/568964932.db2.gz WLWFARAMTHHTBC-UHFFFAOYSA-N 0 0 442.581 5.068 50 0 IKAARN Cc1cccc(C(=O)N(CCC(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)c1 ZINC000036156501 568965196 /nfs/dbraw/zinc/96/51/96/568965196.db2.gz PDJMXGMHATYAQW-UHFFFAOYSA-N 0 0 445.607 6.329 50 0 IKAARN Cc1ccc(C(=O)N(CCC(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1 ZINC000036156479 568965259 /nfs/dbraw/zinc/96/52/59/568965259.db2.gz UVOYHFNJOBKCKM-UHFFFAOYSA-N 0 0 445.607 6.329 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156331 568965291 /nfs/dbraw/zinc/96/52/91/568965291.db2.gz QCYGRSYFLWKRIR-UHFFFAOYSA-N 0 0 445.494 5.517 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819065 568965875 /nfs/dbraw/zinc/96/58/75/568965875.db2.gz ODYLUHZNWZZRKJ-AWEZNQCLSA-N 0 0 448.876 5.466 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)c(C)c1 ZINC000064819089 568965981 /nfs/dbraw/zinc/96/59/81/568965981.db2.gz JITKAEYNEQCKEC-KRWDZBQOSA-N 0 0 442.485 5.429 50 0 IKAARN O=C(Nc1ccccc1)N1CCS[C@@]12c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000036155768 568966369 /nfs/dbraw/zinc/96/63/69/568966369.db2.gz KKUVHOMCEYHCMC-XMMPIXPASA-N 0 0 449.963 5.321 50 0 IKAARN O=C(Nc1ccccc1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000036155724 568966385 /nfs/dbraw/zinc/96/63/85/568966385.db2.gz ARURHZYRPXRBCE-DEOSSOPVSA-N 0 0 449.963 5.321 50 0 IKAARN CC[C@]1(c2ccccc2)OC(c2cccc(NC(=O)c3ccccc3C)c2)=NN1C(C)=O ZINC000064819942 568966803 /nfs/dbraw/zinc/96/68/03/568966803.db2.gz WMDMJPYRLDVIND-AREMUKBSSA-N 0 0 427.504 5.051 50 0 IKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccccc1Br ZINC000064820069 568966846 /nfs/dbraw/zinc/96/68/46/568966846.db2.gz VHBVGPVMLCTXOT-UHFFFAOYSA-N 0 0 442.132 5.489 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820174 568966963 /nfs/dbraw/zinc/96/69/63/568966963.db2.gz ZQCVJKGPSKEPAN-UHFFFAOYSA-N 0 0 427.707 5.388 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820183 568967075 /nfs/dbraw/zinc/96/70/75/568967075.db2.gz FOTUDSHHKHZHMK-UHFFFAOYSA-N 0 0 441.734 5.697 50 0 IKAARN Cc1cccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000036161645 568967575 /nfs/dbraw/zinc/96/75/75/568967575.db2.gz IQVJFPLNPCCBPV-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1ccccc1F ZINC000036161999 568967808 /nfs/dbraw/zinc/96/78/08/568967808.db2.gz HSJFZKAENCKJLK-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(NC(=O)N2CCS[C@]23c2cc(F)ccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036162396 568967839 /nfs/dbraw/zinc/96/78/39/568967839.db2.gz JMASROXVOQCJNL-VWLOTQADSA-N 0 0 447.535 5.115 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3cccc(Cl)c3)C2=O)cc1 ZINC000036164420 568968057 /nfs/dbraw/zinc/96/80/57/568968057.db2.gz CNFFBHJISWMKJG-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3cccc(Cl)c3)C2=O)c1 ZINC000036164504 568968071 /nfs/dbraw/zinc/96/80/71/568968071.db2.gz UMYDUFJZWZWBHD-RUZDIDTESA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000036164810 568968122 /nfs/dbraw/zinc/96/81/22/568968122.db2.gz PMNIOXGRGOUFGZ-HHHXNRCGSA-N 0 0 442.584 5.201 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@]3(SCCN3C(=O)c3ccccc3C)C2=O)cc1 ZINC000036164841 568968141 /nfs/dbraw/zinc/96/81/41/568968141.db2.gz KANMCWHBKPYNOB-MHZLTWQESA-N 0 0 442.584 5.201 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@]23c2cc(F)ccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036165296 568968227 /nfs/dbraw/zinc/96/82/27/568968227.db2.gz HXKMVOOJDKGZIP-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1ccccc1Cl ZINC000036165062 568968259 /nfs/dbraw/zinc/96/82/59/568968259.db2.gz DOVXNMFNXWVXQF-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN O=C(C1CCC1)N1CCS[C@@]12c1cc(Cl)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165716 568968326 /nfs/dbraw/zinc/96/83/26/568968326.db2.gz WARCOERBSZOKHE-JOCHJYFZSA-N 0 0 447.387 5.069 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000036165632 568968355 /nfs/dbraw/zinc/96/83/55/568968355.db2.gz HFEVUQJTNHYQFF-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN C[C@H](CC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)CC(C)(C)C ZINC000006734500 568968683 /nfs/dbraw/zinc/96/86/83/568968683.db2.gz PNEPEMFDSOMSCO-MWTRTKDXSA-N 0 0 428.573 6.005 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000006735405 568968687 /nfs/dbraw/zinc/96/86/87/568968687.db2.gz AHSOOSWFXHIYQR-XDHUDOTRSA-N 0 0 428.573 6.068 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2C)c1 ZINC000006735095 568968715 /nfs/dbraw/zinc/96/87/15/568968715.db2.gz WNPXJMRNKQESHC-BXKMTCNYSA-N 0 0 428.573 6.068 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2C)c1 ZINC000006735100 568968729 /nfs/dbraw/zinc/96/87/29/568968729.db2.gz WNPXJMRNKQESHC-XDHUDOTRSA-N 0 0 428.573 6.068 50 0 IKAARN Cc1cccc(CN2C(=O)C[C@@H](c3ccccc3Cl)C(C(=O)OCC(C)C)=C2C)c1 ZINC000006734647 568968755 /nfs/dbraw/zinc/96/87/55/568968755.db2.gz NHZZJPRJRAOAMR-NRFANRHFSA-N 0 0 425.956 5.638 50 0 IKAARN Cc1cccc(-c2noc(CN(C(=O)Cc3ccc(-c4ccccc4)cc3)C(C)C)n2)c1 ZINC000006736953 568969428 /nfs/dbraw/zinc/96/94/28/568969428.db2.gz QSBVCCQNEZWVLN-UHFFFAOYSA-N 0 0 425.532 5.692 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3cccc4ccccc43)nn(C(=O)/C=C\c3ccccc3)c21 ZINC000169621064 568969995 /nfs/dbraw/zinc/96/99/95/568969995.db2.gz HDZWLZAXCRWLFQ-URTIFYFGSA-N 0 0 434.583 7.694 50 0 IKAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847912 568971396 /nfs/dbraw/zinc/97/13/96/568971396.db2.gz HUZZKXGASGEJSR-CQSZACIVSA-N 0 0 437.437 5.363 50 0 IKAARN COc1ccc2c(c1)N=C(c1ccc(N(C)C)cc1)NC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000006743661 568972051 /nfs/dbraw/zinc/97/20/51/568972051.db2.gz NYCYYUMFBDMSKG-UHFFFAOYSA-N 0 0 426.564 6.009 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858469 568972160 /nfs/dbraw/zinc/97/21/60/568972160.db2.gz WTVXBQPZLNFECQ-UHFFFAOYSA-N 0 0 442.346 5.106 50 0 biogenic IKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccccc3C(F)(F)F)CC1)N2 ZINC000064858651 568972446 /nfs/dbraw/zinc/97/24/46/568972446.db2.gz HLDUAFRTECKNML-UHFFFAOYSA-N 0 0 439.481 5.670 50 0 biogenic IKAARN CCC[C@H](NC(=O)c1ccc2c(c1)nc(C)c(=O)n2Cc1ccccc1)c1cccs1 ZINC000064859365 568972537 /nfs/dbraw/zinc/97/25/37/568972537.db2.gz OABKEYIWSHIPHV-FQEVSTJZSA-N 0 0 431.561 5.086 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccco1)C(=O)Cc1ccccc1 ZINC000036208162 568973152 /nfs/dbraw/zinc/97/31/52/568973152.db2.gz HXOZTAJRWWIYLD-UHFFFAOYSA-N 0 0 443.547 5.552 50 0 IKAARN O=C(NCCc1nc2ccccc2n1CCOc1ccccc1Cl)C1CCCCC1 ZINC000006752564 568973829 /nfs/dbraw/zinc/97/38/29/568973829.db2.gz ZMDOPHIDFFJBOA-UHFFFAOYSA-N 0 0 425.960 5.008 50 0 IKAARN Cc1ccc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c(C)c1 ZINC000006752588 568973855 /nfs/dbraw/zinc/97/38/55/568973855.db2.gz CWVAHSZWCBLKNO-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 IKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3Cl)c2)c1C ZINC000064867200 568974983 /nfs/dbraw/zinc/97/49/83/568974983.db2.gz LPBALYNMLCFNFF-UHFFFAOYSA-N 0 0 446.956 5.031 50 0 IKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cc(Cl)ccc3C)c2)c1C ZINC000064867089 568975027 /nfs/dbraw/zinc/97/50/27/568975027.db2.gz LOEBGIMRZWCINW-UHFFFAOYSA-N 0 0 446.956 5.031 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)cc1 ZINC000006753175 568975324 /nfs/dbraw/zinc/97/53/24/568975324.db2.gz AVWMXUJDFQVROP-PZJWPPBQSA-N 0 0 425.532 5.565 50 0 IKAARN COC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)=Nc2ccccc2N1 ZINC000064869669 568976320 /nfs/dbraw/zinc/97/63/20/568976320.db2.gz DIGFCBDANLEEPY-LBPRGKRZSA-N 0 0 447.919 5.142 50 0 IKAARN COC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)=Nc2ccccc2N1 ZINC000064869670 568976358 /nfs/dbraw/zinc/97/63/58/568976358.db2.gz DIGFCBDANLEEPY-GFCCVEGCSA-N 0 0 447.919 5.142 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2c(C)cc(C)cc2C)=Nc2ccccc2N1 ZINC000064869690 568976367 /nfs/dbraw/zinc/97/63/67/568976367.db2.gz JFPARGBEJQXPFW-UHFFFAOYSA-N 0 0 437.565 5.276 50 0 IKAARN CCOC(=O)CC1=CC(S[C@@H](CC)C(=O)Nc2ccccc2C)=Nc2ccccc2N1 ZINC000064869860 568976475 /nfs/dbraw/zinc/97/64/75/568976475.db2.gz RCHOGDHUKYMUIP-NRFANRHFSA-N 0 0 437.565 5.438 50 0 IKAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869894 568976478 /nfs/dbraw/zinc/97/64/78/568976478.db2.gz WMKZWNUGWIFVBC-AWEZNQCLSA-N 0 0 443.956 5.393 50 0 IKAARN COC(=O)CC1=CC(SCC(=O)Nc2c(C)cccc2C)=Nc2cc(C)c(C)cc2N1 ZINC000064869946 568976501 /nfs/dbraw/zinc/97/65/01/568976501.db2.gz RNZWYLHRYMARHX-UHFFFAOYSA-N 0 0 437.565 5.195 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)c1 ZINC000064872069 568977743 /nfs/dbraw/zinc/97/77/43/568977743.db2.gz MFFBRLHGIVPPCA-UHFFFAOYSA-N 0 0 434.970 5.096 50 0 IKAARN CCCCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000064871842 568977939 /nfs/dbraw/zinc/97/79/39/568977939.db2.gz LQHIHMBVUUNSCP-UHFFFAOYSA-N 0 0 428.579 5.168 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCCOC)C(=O)c1ccccc1F ZINC000036245871 568981540 /nfs/dbraw/zinc/98/15/40/568981540.db2.gz YQJCCPGPYGGTGG-UHFFFAOYSA-N 0 0 439.531 5.006 50 0 IKAARN CC(C)CC(=O)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)Cc1ccccc1 ZINC000036245815 568981576 /nfs/dbraw/zinc/98/15/76/568981576.db2.gz ZBDAIEDNMBDTRG-UHFFFAOYSA-N 0 0 445.607 6.153 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000036245937 568981655 /nfs/dbraw/zinc/98/16/55/568981655.db2.gz HMKXRHLTKBXLJU-SFHVURJKSA-N 0 0 449.551 5.356 50 0 IKAARN Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000036246364 568981665 /nfs/dbraw/zinc/98/16/65/568981665.db2.gz QAYGVLIENZWNAE-UHFFFAOYSA-N 0 0 439.886 6.063 50 0 IKAARN COc1cc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000036246341 568981673 /nfs/dbraw/zinc/98/16/73/568981673.db2.gz HXTIPTWXTKWRKW-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246828 568981835 /nfs/dbraw/zinc/98/18/35/568981835.db2.gz DFLBVKNNDKIYNZ-INIZCTEOSA-N 0 0 431.941 5.314 50 0 IKAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036246475 568981840 /nfs/dbraw/zinc/98/18/40/568981840.db2.gz DOPLIGCTOFAOOC-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246819 568981858 /nfs/dbraw/zinc/98/18/58/568981858.db2.gz WGZUWGRMBQQMCL-KRWDZBQOSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccc([C@@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246756 568981944 /nfs/dbraw/zinc/98/19/44/568981944.db2.gz QPOZARNJFQHNRL-MRXNPFEDSA-N 0 0 447.503 5.247 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246816 568981948 /nfs/dbraw/zinc/98/19/48/568981948.db2.gz DAHNLUFOZAIMNI-KRWDZBQOSA-N 0 0 429.513 5.108 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246832 568981951 /nfs/dbraw/zinc/98/19/51/568981951.db2.gz AZXKGWOWJZZDHN-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246830 568981972 /nfs/dbraw/zinc/98/19/72/568981972.db2.gz DFLBVKNNDKIYNZ-MRXNPFEDSA-N 0 0 431.941 5.314 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246854 568982028 /nfs/dbraw/zinc/98/20/28/568982028.db2.gz FJVDXXYQRGTZGE-KRWDZBQOSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@H](C)c2cccc(OC)c2)cc1 ZINC000036247823 568982416 /nfs/dbraw/zinc/98/24/16/568982416.db2.gz OWIYHBFAUTYXKP-MRXNPFEDSA-N 0 0 431.941 5.314 50 0 IKAARN COc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)[C@H](C)c2cccc(OC)c2)cc1 ZINC000036247821 568982466 /nfs/dbraw/zinc/98/24/66/568982466.db2.gz TXMURAMXVCXDOC-MRXNPFEDSA-N 0 0 431.941 5.314 50 0 IKAARN Cc1ccccc1CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1F ZINC000036247846 568982469 /nfs/dbraw/zinc/98/24/69/568982469.db2.gz CEIGCPAXBDDZDA-UHFFFAOYSA-N 0 0 434.330 5.292 50 0 IKAARN COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248373 568982600 /nfs/dbraw/zinc/98/26/00/568982600.db2.gz XSSRNOHXVPPNPC-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN COc1cc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2C)cc(OC)c1 ZINC000036248352 568982615 /nfs/dbraw/zinc/98/26/15/568982615.db2.gz ZIYIXGSWHMUWCW-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc(Cl)c2C)cc1OC ZINC000036248461 568982757 /nfs/dbraw/zinc/98/27/57/568982757.db2.gz FJGTXEXLMMGKSI-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccc(Cl)c2C)cc1OC ZINC000036248474 568982770 /nfs/dbraw/zinc/98/27/70/568982770.db2.gz XJLSKYQOWSVRHZ-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN COc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000036248421 568982789 /nfs/dbraw/zinc/98/27/89/568982789.db2.gz UPBSYGYNDDUVMU-UHFFFAOYSA-N 0 0 433.932 5.500 50 0 IKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(Cc1ccco1)C(=O)C1CCCC1 ZINC000036248977 568983014 /nfs/dbraw/zinc/98/30/14/568983014.db2.gz CGEAZCPWRWCHJS-UHFFFAOYSA-N 0 0 439.531 5.639 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccccc2OC)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248889 568983057 /nfs/dbraw/zinc/98/30/57/568983057.db2.gz SRVKBEOVOSGTEE-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC3CCCCCC3)c(C)c12 ZINC000006772697 568983194 /nfs/dbraw/zinc/98/31/94/568983194.db2.gz AGOJYNHUNDWUMV-UHFFFAOYSA-N 0 0 432.612 5.734 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cccc(F)c2)cc1OC ZINC000036248702 568983397 /nfs/dbraw/zinc/98/33/97/568983397.db2.gz CPWGYJBGQTWTPW-OAHLLOKOSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248720 568983403 /nfs/dbraw/zinc/98/34/03/568983403.db2.gz MUDIEJOAKKSRHH-MRXNPFEDSA-N 0 0 433.932 5.753 50 0 IKAARN COc1ccc(OC)c([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248659 568983405 /nfs/dbraw/zinc/98/34/05/568983405.db2.gz XOLSITVZWVBLND-INIZCTEOSA-N 0 0 447.503 5.247 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC ZINC000036248579 568983408 /nfs/dbraw/zinc/98/34/08/568983408.db2.gz JONIMWDXJQYPNP-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cccc(OC)c2)cc1 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569001798 /nfs/dbraw/zinc/00/17/98/569001798.db2.gz GLPNMYZNKZHNKW-UHFFFAOYSA-N 0 0 429.545 5.930 50 0 IKAARN Cc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c1 ZINC000064967353 569001867 /nfs/dbraw/zinc/00/18/67/569001867.db2.gz DXDJGLDYZBUICS-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN CCc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(OC)cc2)C1 ZINC000064967297 569001873 /nfs/dbraw/zinc/00/18/73/569001873.db2.gz DJEOVHVKGZHZSS-UHFFFAOYSA-N 0 0 443.572 6.184 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)cc1 ZINC000064967359 569001909 /nfs/dbraw/zinc/00/19/09/569001909.db2.gz WIXWCRVNZBZMCK-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)cc1 ZINC000064968504 569001912 /nfs/dbraw/zinc/00/19/12/569001912.db2.gz KLANGVIZHFNSRL-UHFFFAOYSA-N 0 0 448.950 6.181 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)C2)cc1 ZINC000064967289 569001923 /nfs/dbraw/zinc/00/19/23/569001923.db2.gz GJWCBIPCNYJHGD-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1)Nc1ccc(F)cc1 ZINC000064967368 569001933 /nfs/dbraw/zinc/00/19/33/569001933.db2.gz WMWIBTOQRRFJAP-UHFFFAOYSA-N 0 0 437.927 6.406 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCCC3=CCCCC3)C2)cc1 ZINC000064967346 569001935 /nfs/dbraw/zinc/00/19/35/569001935.db2.gz REZJCRMLTOIISG-UHFFFAOYSA-N 0 0 447.604 5.990 50 0 IKAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000064969127 569076090 /nfs/dbraw/zinc/07/60/90/569076090.db2.gz FZHCBSQILSTQST-UHFFFAOYSA-N 0 0 439.437 5.230 50 0 IKAARN O=C(NCc1cccc(Br)c1)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000064968473 569076103 /nfs/dbraw/zinc/07/61/03/569076103.db2.gz GJKZUJKRIWXTGB-UHFFFAOYSA-N 0 0 439.284 5.250 50 0 IKAARN Fc1ccccc1CNc1nc(-c2nnc(-c3cccc(Cl)c3)o2)nc2ccccc21 ZINC000064969992 569076228 /nfs/dbraw/zinc/07/62/28/569076228.db2.gz VJBXBKQQPCXODR-UHFFFAOYSA-N 0 0 431.858 5.751 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(NC(=O)c3nsc4ccccc43)c2)cc1 ZINC000064972567 569077044 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CCOc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4CC)no2)cc1 ZINC000064980159 569078382 /nfs/dbraw/zinc/07/83/82/569078382.db2.gz CPPVXPXBULEOAV-UHFFFAOYSA-N 0 0 443.528 5.934 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4ccc(C)c(C)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980223 569078401 /nfs/dbraw/zinc/07/84/01/569078401.db2.gz OYEVPZSGAKDMBW-UHFFFAOYSA-N 0 0 441.556 6.542 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)ncn5C4CCCC4)no3)CC2=O)cc1C ZINC000064980106 569078411 /nfs/dbraw/zinc/07/84/11/569078411.db2.gz QYONIQRNXSDJDQ-LJQANCHMSA-N 0 0 441.535 5.339 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccccc4F)n3)ccc2N1C1CC1 ZINC000064980266 569078446 /nfs/dbraw/zinc/07/84/46/569078446.db2.gz MHEBIAMSELWKKI-UHFFFAOYSA-N 0 0 429.476 5.817 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C3CC3)no2)cc1 ZINC000064980247 569078506 /nfs/dbraw/zinc/07/85/06/569078506.db2.gz RYPYMIJCHLOZRC-UHFFFAOYSA-N 0 0 425.513 5.986 50 0 IKAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341061 569079099 /nfs/dbraw/zinc/07/90/99/569079099.db2.gz ZSSVTTOPTXXYJL-RUZDIDTESA-N 0 0 447.966 5.158 50 0 IKAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341153 569079168 /nfs/dbraw/zinc/07/91/68/569079168.db2.gz SPEUIBQAPKGHSK-RUZDIDTESA-N 0 0 447.966 5.158 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340987 569079174 /nfs/dbraw/zinc/07/91/74/569079174.db2.gz LVGFNJWEEPEFFM-AREMUKBSSA-N 0 0 445.994 5.767 50 0 IKAARN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342143 569079657 /nfs/dbraw/zinc/07/96/57/569079657.db2.gz QVDJKSKZNVBTDG-RUZDIDTESA-N 0 0 441.575 5.746 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036343577 569079911 /nfs/dbraw/zinc/07/99/11/569079911.db2.gz ZNGZXJROEDJAJH-HHHXNRCGSA-N 0 0 425.576 5.422 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3C)C2)c1 ZINC000036345012 569080426 /nfs/dbraw/zinc/08/04/26/569080426.db2.gz JUUZHNDZBIGTFF-MUUNZHRXSA-N 0 0 437.587 5.348 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c1 ZINC000036345015 569080477 /nfs/dbraw/zinc/08/04/77/569080477.db2.gz PFAHHAGKLMFRMJ-MHZLTWQESA-N 0 0 425.576 5.422 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345492 569080586 /nfs/dbraw/zinc/08/05/86/569080586.db2.gz MDZZGQLEDNUUSK-AREMUKBSSA-N 0 0 429.539 5.252 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2C)=NN1C(=O)CN(C)Cc1ccccc1 ZINC000036345343 569080627 /nfs/dbraw/zinc/08/06/27/569080627.db2.gz UUVLNDQEGMBCQK-SANMLTNESA-N 0 0 441.575 5.122 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345518 569080633 /nfs/dbraw/zinc/08/06/33/569080633.db2.gz PWFLDNVVIHEOKL-AREMUKBSSA-N 0 0 429.539 5.252 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3F)C2)c1 ZINC000036345517 569080699 /nfs/dbraw/zinc/08/06/99/569080699.db2.gz PWFLDNVVIHEOKL-SANMLTNESA-N 0 0 429.539 5.252 50 0 IKAARN COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)Cc2ccccc2)c1 ZINC000036345674 569080835 /nfs/dbraw/zinc/08/08/35/569080835.db2.gz QBKPNMCBUBPTJP-HHHXNRCGSA-N 0 0 441.575 5.122 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCc3ccccc3C2)c(C)c1 ZINC000036345740 569080880 /nfs/dbraw/zinc/08/08/80/569080880.db2.gz LMLSEFUUNCKYMV-HHHXNRCGSA-N 0 0 441.550 5.179 50 0 IKAARN COc1ccc(OC)c(CN2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347487 569081569 /nfs/dbraw/zinc/08/15/69/569081569.db2.gz BXCUDAIBNQOIAT-HSZRJFAPSA-N 0 0 431.363 5.807 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)c(OC)c1OC ZINC000036347455 569081575 /nfs/dbraw/zinc/08/15/75/569081575.db2.gz LBUGJTXMUIEVKC-JOCHJYFZSA-N 0 0 426.944 5.163 50 0 IKAARN COc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)c1OC ZINC000036347955 569081665 /nfs/dbraw/zinc/08/16/65/569081665.db2.gz KDQDMPZZFPWIGJ-JOCHJYFZSA-N 0 0 430.470 5.519 50 0 IKAARN CC(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349492 569081745 /nfs/dbraw/zinc/08/17/45/569081745.db2.gz NKUKGOJKQCZGNI-UHFFFAOYSA-N 0 0 438.902 7.357 50 0 IKAARN Fc1ccc(F)c(CN2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347901 569081758 /nfs/dbraw/zinc/08/17/58/569081758.db2.gz PMYLIEUKQVQSJO-HHHXNRCGSA-N 0 0 430.498 6.554 50 0 IKAARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3ccc(C(F)(F)F)cc3)n2)c(C)c1 ZINC000036349489 569081764 /nfs/dbraw/zinc/08/17/64/569081764.db2.gz SOXGLXAQWDXDJG-UHFFFAOYSA-N 0 0 432.511 7.320 50 0 IKAARN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2Cl)c(OC)c1OC ZINC000036348523 569081889 /nfs/dbraw/zinc/08/18/89/569081889.db2.gz BJCHNKZNEWSCRO-QFIPXVFZSA-N 0 0 426.944 5.163 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3ccc(NCc4ccccc4)nn3)cc2)cc1OC ZINC000064989274 569083014 /nfs/dbraw/zinc/08/30/14/569083014.db2.gz AERZYHLXPUPOEI-UHFFFAOYSA-N 0 0 440.503 5.025 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3cc(NC4CCCCC4)ncn3)cc2)c(OC)c1 ZINC000064989510 569083035 /nfs/dbraw/zinc/08/30/35/569083035.db2.gz OMZPHKLDHWOPEA-UHFFFAOYSA-N 0 0 432.524 5.158 50 0 IKAARN COc1cc(NC(=O)c2cccc(-c3cc(NC4CCCCC4)ncn3)c2)cc(OC)c1 ZINC000064989625 569083037 /nfs/dbraw/zinc/08/30/37/569083037.db2.gz VRFJXIBZJYCGCF-UHFFFAOYSA-N 0 0 432.524 5.158 50 0 IKAARN Cc1cc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)ccc1Br ZINC000064989309 569083058 /nfs/dbraw/zinc/08/30/58/569083058.db2.gz VBDFGMLGGUIDHV-UHFFFAOYSA-N 0 0 437.341 5.067 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(Cl)c4)cc32)cc1 ZINC000064990298 569083212 /nfs/dbraw/zinc/08/32/12/569083212.db2.gz FMGMYOKSYWUICN-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3ccc(F)c(Cl)c3)cc2N1C(=O)c1ccccc1 ZINC000064990541 569083349 /nfs/dbraw/zinc/08/33/49/569083349.db2.gz AHXAQVDBOCIPAD-OAHLLOKOSA-N 0 0 437.902 5.392 50 0 IKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)cc4Cl)cc32)c1 ZINC000064990836 569083443 /nfs/dbraw/zinc/08/34/43/569083443.db2.gz ZPTLSAKBVDFKBB-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(Cl)c4)cc32)c1 ZINC000064990829 569083460 /nfs/dbraw/zinc/08/34/60/569083460.db2.gz ONMOVFKGGHRZIO-UHFFFAOYSA-N 0 0 433.939 5.481 50 0 IKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)c(Cl)c4)cc32)c1 ZINC000064990848 569083475 /nfs/dbraw/zinc/08/34/75/569083475.db2.gz MRGMSMAYKCZWFO-UHFFFAOYSA-N 0 0 437.902 5.312 50 0 IKAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)cc1 ZINC000064990734 569083478 /nfs/dbraw/zinc/08/34/78/569083478.db2.gz YQPJAABDJXMHLS-UHFFFAOYSA-N 0 0 449.938 5.182 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000036352168 569083770 /nfs/dbraw/zinc/08/37/70/569083770.db2.gz GQZDRMWOMQJXQC-VPUSJEBWSA-N 0 0 428.532 6.116 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036352171 569083783 /nfs/dbraw/zinc/08/37/83/569083783.db2.gz KAEZAQFUKSATGV-VWNXMTODSA-N 0 0 439.342 6.634 50 0 IKAARN CCc1cc(Oc2ccc(C(C)C)cc2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349835 569083801 /nfs/dbraw/zinc/08/38/01/569083801.db2.gz RPBRXXAYGNVOKY-UHFFFAOYSA-N 0 0 432.511 7.266 50 0 IKAARN CCc1cc(Oc2ccc(F)cc2F)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350237 569083814 /nfs/dbraw/zinc/08/38/14/569083814.db2.gz IXMAPNAZXYFDQW-UHFFFAOYSA-N 0 0 426.410 6.421 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000036352230 569084101 /nfs/dbraw/zinc/08/41/01/569084101.db2.gz NDOHUDLCAOTDRY-VWNXMTODSA-N 0 0 436.964 6.313 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000036352231 569084112 /nfs/dbraw/zinc/08/41/12/569084112.db2.gz FBNCKCALIKJOOQ-VWNXMTODSA-N 0 0 439.342 6.634 50 0 IKAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCC3)cc1 ZINC000036354581 569084215 /nfs/dbraw/zinc/08/42/15/569084215.db2.gz CLCIXAACFXDAIW-VWLOTQADSA-N 0 0 440.543 5.068 50 0 IKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccc(OCc2ccccc2)c1 ZINC000036357888 569084859 /nfs/dbraw/zinc/08/48/59/569084859.db2.gz XQNYUOHEXLZUNY-UHFFFAOYSA-N 0 0 437.455 5.427 50 0 IKAARN CC(C)(C)c1ccc([C@H](CC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)cc1 ZINC000006839207 569085213 /nfs/dbraw/zinc/08/52/13/569085213.db2.gz STMDHLIDROTNNN-DEOSSOPVSA-N 0 0 428.551 6.443 50 0 IKAARN Cc1ccc(C)c(N(C)C(=O)c2c3c(cn(-c4ccc(F)cc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000146 569085781 /nfs/dbraw/zinc/08/57/81/569085781.db2.gz WOLKSVZCNQYYFH-UHFFFAOYSA-N 0 0 446.522 5.025 50 0 IKAARN CCN(C(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2)c1cccc(C)c1 ZINC000065000144 569085804 /nfs/dbraw/zinc/08/58/04/569085804.db2.gz VYSIPMPBXNDSKJ-UHFFFAOYSA-N 0 0 446.522 5.107 50 0 IKAARN CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c2C1 ZINC000065000552 569086041 /nfs/dbraw/zinc/08/60/41/569086041.db2.gz VLLLKTVSFMVOQY-UHFFFAOYSA-N 0 0 438.886 5.037 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4cc(C)ccc4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000507 569086070 /nfs/dbraw/zinc/08/60/70/569086070.db2.gz KEQKPKFBLJGYIF-UHFFFAOYSA-N 0 0 428.532 5.170 50 0 IKAARN CCCC1CCC(c2ccc(-c3noc(-c4ccccc4Br)n3)cc2)CC1 ZINC000002030748 569086292 /nfs/dbraw/zinc/08/62/92/569086292.db2.gz QHDMBQHZTDFGSD-UHFFFAOYSA-N 0 0 425.370 7.240 50 0 IKAARN COc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036360478 569086380 /nfs/dbraw/zinc/08/63/80/569086380.db2.gz LVSHWVYGYMXKCQ-VWLOTQADSA-N 0 0 440.543 5.068 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(Br)c1 ZINC000065004100 569086806 /nfs/dbraw/zinc/08/68/06/569086806.db2.gz SGJYAAYCULONQX-UHFFFAOYSA-N 0 0 439.356 5.152 50 0 IKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3cccc(Cl)c3)o1)CC(=O)N2 ZINC000036366102 569087175 /nfs/dbraw/zinc/08/71/75/569087175.db2.gz XVJZEQATPAKBJN-AWEZNQCLSA-N 0 0 440.290 5.661 50 0 IKAARN Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCCC(C)C)CC4)ccc3o2)cc1 ZINC000065006218 569087289 /nfs/dbraw/zinc/08/72/89/569087289.db2.gz UPYKPQSZRZWGOF-UHFFFAOYSA-N 0 0 447.579 5.208 50 0 IKAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023467 569089337 /nfs/dbraw/zinc/08/93/37/569089337.db2.gz PIFTVVJULFDYAM-NRFANRHFSA-N 0 0 432.543 5.480 50 0 IKAARN Cc1cccc(-c2cnc(N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)nc2)c1 ZINC000065023844 569089515 /nfs/dbraw/zinc/08/95/15/569089515.db2.gz HCOSLSDFDDFZLE-UHFFFAOYSA-N 0 0 428.580 5.108 50 0 IKAARN COc1cccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)NCc3ccco3)C2)c1 ZINC000065026609 569089852 /nfs/dbraw/zinc/08/98/52/569089852.db2.gz ZXARBBSYCCIDSG-UHFFFAOYSA-N 0 0 447.560 5.509 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccc(F)cc1)CC(SCC(=O)Nc1ccccc1C)=N2 ZINC000065026512 569089876 /nfs/dbraw/zinc/08/98/76/569089876.db2.gz BNKGNPGZHNWVCK-UHFFFAOYSA-N 0 0 445.563 6.677 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCC(C)CC4)no3)cc2)cc1 ZINC000065027053 569090142 /nfs/dbraw/zinc/09/01/42/569090142.db2.gz POUVGTDLLJWZMH-UHFFFAOYSA-N 0 0 447.535 5.123 50 0 IKAARN O=C(Nc1ccc(F)cc1Cl)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025084 569090440 /nfs/dbraw/zinc/09/04/40/569090440.db2.gz QLPAEFDEEPNUHZ-UHFFFAOYSA-N 0 0 438.890 5.801 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025065 569090448 /nfs/dbraw/zinc/09/04/48/569090448.db2.gz FVQZBQNCALXSEY-UHFFFAOYSA-N 0 0 434.927 5.971 50 0 IKAARN CSc1ccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCCC3)n2)cc1 ZINC000065025090 569090497 /nfs/dbraw/zinc/09/04/97/569090497.db2.gz LYCLGMYNWUZYLV-UHFFFAOYSA-N 0 0 446.576 5.408 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC000065025457 569090563 /nfs/dbraw/zinc/09/05/63/569090563.db2.gz XGOTUODHFSSRMT-UHFFFAOYSA-N 0 0 436.515 5.788 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025574 569090621 /nfs/dbraw/zinc/09/06/21/569090621.db2.gz JHHZKSLHSGFPSE-VWLOTQADSA-N 0 0 426.564 5.696 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025786 569090751 /nfs/dbraw/zinc/09/07/51/569090751.db2.gz COCPZNQHLSPRQR-RUZDIDTESA-N 0 0 426.564 5.696 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)c1 ZINC000065025788 569090754 /nfs/dbraw/zinc/09/07/54/569090754.db2.gz MHHWAHHGWPKYGF-SFHVURJKSA-N 0 0 430.552 5.388 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025632 569090756 /nfs/dbraw/zinc/09/07/56/569090756.db2.gz XMALQSOSUUPCBM-UHFFFAOYSA-N 0 0 442.950 5.382 50 0 IKAARN CC(C)c1ccc(CNC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1 ZINC000065025591 569090777 /nfs/dbraw/zinc/09/07/77/569090777.db2.gz MVPLTOPAMHJUKY-UHFFFAOYSA-N 0 0 428.580 5.942 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSC1=Nc2cc(C)c(C)cc2N=C(c2ccccc2)C1 ZINC000065026399 569090944 /nfs/dbraw/zinc/09/09/44/569090944.db2.gz CFFSBNYCRHDMRI-UHFFFAOYSA-N 0 0 441.600 6.847 50 0 IKAARN COc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)NCc3ccco3)C2)cc1 ZINC000065026488 569090975 /nfs/dbraw/zinc/09/09/75/569090975.db2.gz JEYISPRGNDSUHC-UHFFFAOYSA-N 0 0 447.560 5.509 50 0 IKAARN CCc1cccc2c(SCC(=O)Nc3cccc(Cl)c3C)nc(-c3ccccc3)nc12 ZINC000006860539 569091444 /nfs/dbraw/zinc/09/14/44/569091444.db2.gz RFEFNUIKINNODN-UHFFFAOYSA-N 0 0 447.991 6.552 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000065031694 569091700 /nfs/dbraw/zinc/09/17/00/569091700.db2.gz BILGBTMHZCHYCQ-OAHLLOKOSA-N 0 0 433.895 5.365 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1Cl ZINC000065031698 569091738 /nfs/dbraw/zinc/09/17/38/569091738.db2.gz NQHIDDLFEAAVOF-OAHLLOKOSA-N 0 0 433.895 5.365 50 0 IKAARN CCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Cc3cccs3)cc21 ZINC000065034286 569091883 /nfs/dbraw/zinc/09/18/83/569091883.db2.gz PEEOHZXGVHUQMX-UHFFFAOYSA-N 0 0 446.528 5.086 50 0 IKAARN COC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3cccc(C)c3)cc21 ZINC000065034110 569091899 /nfs/dbraw/zinc/09/18/99/569091899.db2.gz PBFZFEVMYIVOPX-UHFFFAOYSA-N 0 0 444.462 5.153 50 0 IKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3cccc(SC)c3)c2cc1OC ZINC000065034427 569091947 /nfs/dbraw/zinc/09/19/47/569091947.db2.gz UJFSWDUDSRRXAX-UHFFFAOYSA-N 0 0 437.565 5.344 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)ncn1 ZINC000065036658 569092654 /nfs/dbraw/zinc/09/26/54/569092654.db2.gz ICCPIBNAESIAOT-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)ncn2)cc1 ZINC000065036724 569092719 /nfs/dbraw/zinc/09/27/19/569092719.db2.gz RCZDJLKUEQGEJY-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)ncn2)cc1 ZINC000065036725 569092722 /nfs/dbraw/zinc/09/27/22/569092722.db2.gz QHGPWDKSGREVCL-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)ncn2)cc1 ZINC000065036727 569092795 /nfs/dbraw/zinc/09/27/95/569092795.db2.gz KTHWMCOTDDEBAZ-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN CCCCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 ZINC000169754575 569093873 /nfs/dbraw/zinc/09/38/73/569093873.db2.gz NLPHZILPMDWFRZ-FQEVSTJZSA-N 0 0 425.916 5.546 50 0 IKAARN CCCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2Cl)c(-c2ccc(Cl)cc2)n1 ZINC000169760391 569094556 /nfs/dbraw/zinc/09/45/56/569094556.db2.gz LCNJMLYVJAIRPR-UHFFFAOYSA-N 0 0 430.335 5.117 50 0 IKAARN COc1cccc(CN(C[C@@H]2CC(c3ccccc3Cl)=NO2)C(=O)CC(C)(C)C)c1 ZINC000006871712 569094790 /nfs/dbraw/zinc/09/47/90/569094790.db2.gz QCMZJFBHFJYPQX-IBGZPJMESA-N 0 0 428.960 5.307 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccccc4Cl)cc3)cn2)cc1 ZINC000065057708 569095204 /nfs/dbraw/zinc/09/52/04/569095204.db2.gz VMUFCJVKTGJJLO-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 biogenic IKAARN CCc1ccc(NC(=O)c2ccc(-c3cnc(Oc4ccc(OC)cc4)nc3)cc2)cc1 ZINC000065057659 569095212 /nfs/dbraw/zinc/09/52/12/569095212.db2.gz ZIMBMDWDBJFSKN-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4cccc(OC)c4)cc3)cn2)cc1 ZINC000065057665 569095275 /nfs/dbraw/zinc/09/52/75/569095275.db2.gz HRODWUGPGKUIQX-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NCCC4=CCCCC4)c3)cn2)c1 ZINC000065057948 569095315 /nfs/dbraw/zinc/09/53/15/569095315.db2.gz YMHPOLVYHVLTIS-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057829 569095349 /nfs/dbraw/zinc/09/53/49/569095349.db2.gz VCZROEXSOSAJDU-RUZDIDTESA-N 0 0 439.490 5.882 50 0 IKAARN CCc1ccc(NC(=O)c2cccc(-c3cnc(Oc4cccc(OC)c4)nc3)c2)cc1 ZINC000065057950 569095360 /nfs/dbraw/zinc/09/53/60/569095360.db2.gz MFETWIKCVPKICW-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058044 569095491 /nfs/dbraw/zinc/09/54/91/569095491.db2.gz LHCZUDGOJHKSOX-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1c(-c2ccc(C)cc2)nc2ccccn21 ZINC000065061131 569096260 /nfs/dbraw/zinc/09/62/60/569096260.db2.gz WCSKVIYVRPXLGM-UHFFFAOYSA-N 0 0 433.939 5.851 50 0 IKAARN CCn1c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 ZINC000006878520 569096329 /nfs/dbraw/zinc/09/63/29/569096329.db2.gz AOYSFQOMUDJRNG-SFHVURJKSA-N 0 0 429.549 5.206 50 0 IKAARN CCCCOc1ccc(CNC(=O)CCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000065061285 569096378 /nfs/dbraw/zinc/09/63/78/569096378.db2.gz SQVOPWXNBQVNLQ-UHFFFAOYSA-N 0 0 427.548 5.429 50 0 IKAARN CCN1c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000169766645 569097176 /nfs/dbraw/zinc/09/71/76/569097176.db2.gz XSVRLSCGGYYIKM-RUZDIDTESA-N 0 0 441.531 5.523 50 0 IKAARN CCN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766409 569097596 /nfs/dbraw/zinc/09/75/96/569097596.db2.gz RXYLSZOYUVMEAT-HXUWFJFHSA-N 0 0 447.457 5.020 50 0 IKAARN CCN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766407 569097660 /nfs/dbraw/zinc/09/76/60/569097660.db2.gz RXYLSZOYUVMEAT-FQEVSTJZSA-N 0 0 447.457 5.020 50 0 IKAARN COc1cc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)cc(OC)c1 ZINC000065063176 569097700 /nfs/dbraw/zinc/09/77/00/569097700.db2.gz FPFCQHMCQLLBDU-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1Cl ZINC000065063214 569097720 /nfs/dbraw/zinc/09/77/20/569097720.db2.gz LNIWCZXFCUYEIU-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)cc1Cl ZINC000065063179 569097748 /nfs/dbraw/zinc/09/77/48/569097748.db2.gz LRFNRHNRYWTLHG-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063220 569097795 /nfs/dbraw/zinc/09/77/95/569097795.db2.gz RNCNSOBTWVLAFY-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1Cl ZINC000065063292 569097835 /nfs/dbraw/zinc/09/78/35/569097835.db2.gz ARUCIIPXVLFDMJ-UHFFFAOYSA-N 0 0 433.870 6.289 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000065063294 569097893 /nfs/dbraw/zinc/09/78/93/569097893.db2.gz BOJYAJZTJOCBBI-UHFFFAOYSA-N 0 0 427.479 6.451 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000065063303 569097896 /nfs/dbraw/zinc/09/78/96/569097896.db2.gz YOAJQVXPEWGWDP-GOSISDBHSA-N 0 0 427.479 5.874 50 0 IKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000065063252 569097909 /nfs/dbraw/zinc/09/79/09/569097909.db2.gz VZTTXGCGIUPOQK-UHFFFAOYSA-N 0 0 443.934 5.870 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000065063281 569097935 /nfs/dbraw/zinc/09/79/35/569097935.db2.gz YTBSXZCVUFHQOB-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063298 569097948 /nfs/dbraw/zinc/09/79/48/569097948.db2.gz LFBMYLBBMFUQIW-DEOSSOPVSA-N 0 0 439.490 5.882 50 0 IKAARN CCc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075113 569099382 /nfs/dbraw/zinc/09/93/82/569099382.db2.gz FTFYMRLILUISFV-AREMUKBSSA-N 0 0 432.951 5.180 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000065075075 569099415 /nfs/dbraw/zinc/09/94/15/569099415.db2.gz IREHTBDZSFQYHU-AREMUKBSSA-N 0 0 432.951 5.235 50 0 IKAARN CCc1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000065075094 569099463 /nfs/dbraw/zinc/09/94/63/569099463.db2.gz LJFPMNVHTDLBEP-SANMLTNESA-N 0 0 432.951 5.180 50 0 IKAARN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000036397532 569100163 /nfs/dbraw/zinc/10/01/63/569100163.db2.gz LUNNRLYDPIBOQQ-ZDUSSCGKSA-N 0 0 449.885 5.289 50 0 IKAARN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000036397533 569100206 /nfs/dbraw/zinc/10/02/06/569100206.db2.gz LUNNRLYDPIBOQQ-CYBMUJFWSA-N 0 0 449.885 5.289 50 0 IKAARN COc1ccc2nc(NC(=O)Cc3csc4nc(-c5ccc(C)c(C)c5)cn34)sc2c1 ZINC000065079639 569100950 /nfs/dbraw/zinc/10/09/50/569100950.db2.gz CLAHVVRGJDBDNW-UHFFFAOYSA-N 0 0 448.573 5.479 50 0 IKAARN FC(F)(F)c1ccc2c(c1)CCCN2Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000036398038 569101008 /nfs/dbraw/zinc/10/10/08/569101008.db2.gz CAVNOPUHXAURDO-UHFFFAOYSA-N 0 0 431.487 5.240 50 0 IKAARN Cc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000065080224 569101168 /nfs/dbraw/zinc/10/11/68/569101168.db2.gz OECYIHAHQRGILX-UHFFFAOYSA-N 0 0 429.451 5.602 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)sc12 ZINC000065081294 569101426 /nfs/dbraw/zinc/10/14/26/569101426.db2.gz MFQJRHGCRXWALQ-LJQANCHMSA-N 0 0 445.592 5.262 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4cc(C)ccc4C)C3)sc12 ZINC000065081297 569101509 /nfs/dbraw/zinc/10/15/09/569101509.db2.gz MFQJRHGCRXWALQ-IBGZPJMESA-N 0 0 445.592 5.262 50 0 IKAARN O=C(NCc1ccccc1F)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772748 569101768 /nfs/dbraw/zinc/10/17/68/569101768.db2.gz XSCLDNUZDNIDIK-VWLOTQADSA-N 0 0 442.534 5.195 50 0 IKAARN C[C@H](NC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1)c1ccccc1 ZINC000065082761 569102372 /nfs/dbraw/zinc/10/23/72/569102372.db2.gz PQYSMRMZEVTLFK-JXFKEZNVSA-N 0 0 434.923 5.021 50 0 IKAARN Cc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)c(Br)c1 ZINC000065084737 569102600 /nfs/dbraw/zinc/10/26/00/569102600.db2.gz RZYJUWZIMUYDFV-UHFFFAOYSA-N 0 0 425.326 5.046 50 0 IKAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000065084762 569102603 /nfs/dbraw/zinc/10/26/03/569102603.db2.gz PQWIFJCVMFSNSR-UHFFFAOYSA-N 0 0 425.326 5.046 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065084882 569102631 /nfs/dbraw/zinc/10/26/31/569102631.db2.gz KYKAGKDVFXBRPI-UHFFFAOYSA-N 0 0 445.871 5.505 50 0 IKAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC000065085388 569102783 /nfs/dbraw/zinc/10/27/83/569102783.db2.gz MCRSVQGYDIJLFC-UHFFFAOYSA-N 0 0 441.452 5.040 50 0 IKAARN Cc1ccc(Cn2cccc2C(=O)C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000065084387 569102878 /nfs/dbraw/zinc/10/28/78/569102878.db2.gz MGNFOLGDOVSGON-UHFFFAOYSA-N 0 0 436.555 5.299 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000169780921 569103102 /nfs/dbraw/zinc/10/31/02/569103102.db2.gz HXTJGNSGHVSLEA-SWCOFVSZSA-N 0 0 449.620 5.371 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085516 569103231 /nfs/dbraw/zinc/10/32/31/569103231.db2.gz JRFQUEBDZVMXIO-SFHVURJKSA-N 0 0 431.966 5.042 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(Cl)c5)CC4)nc3)n2)cc1 ZINC000065097796 569104027 /nfs/dbraw/zinc/10/40/27/569104027.db2.gz BJMRWAYZWHGXEG-UHFFFAOYSA-N 0 0 431.927 5.087 50 0 IKAARN O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000207970571 569104236 /nfs/dbraw/zinc/10/42/36/569104236.db2.gz SWKKYOIJBSVEDK-RUZDIDTESA-N 0 0 427.525 5.384 50 0 IKAARN O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000207966703 569104257 /nfs/dbraw/zinc/10/42/57/569104257.db2.gz GAJMTJQRVINVEF-QHCPKHFHSA-N 0 0 433.554 5.445 50 0 IKAARN CCc1nc(-c2cccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)c2)cs1 ZINC000065098198 569104747 /nfs/dbraw/zinc/10/47/47/569104747.db2.gz DORNGSDWOLSGND-IBGZPJMESA-N 0 0 444.560 5.560 50 0 IKAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(OC)cc3C)CC2)cc1 ZINC000065102404 569105956 /nfs/dbraw/zinc/10/59/56/569105956.db2.gz JPMKUNICRCXFMX-UHFFFAOYSA-N 0 0 446.551 5.003 50 0 IKAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C)cc3F)CC2)cc1 ZINC000065102403 569105982 /nfs/dbraw/zinc/10/59/82/569105982.db2.gz VELVCLJLNHZTIK-UHFFFAOYSA-N 0 0 434.515 5.134 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3C)CC2)cc1 ZINC000065102532 569106086 /nfs/dbraw/zinc/10/60/86/569106086.db2.gz VVQVATBIEJWZSF-UHFFFAOYSA-N 0 0 436.556 5.239 50 0 IKAARN CCc1ccc(NC(=O)C2CCN(c3nccnc3Sc3cccc(C)c3)CC2)cc1 ZINC000065102698 569106154 /nfs/dbraw/zinc/10/61/54/569106154.db2.gz LPRKFKDVOIHFNV-UHFFFAOYSA-N 0 0 432.593 5.354 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000065110980 569106177 /nfs/dbraw/zinc/10/61/77/569106177.db2.gz YUYVTSSLIDCRAL-UHFFFAOYSA-N 0 0 444.354 5.379 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(Br)c(F)c2)cc1 ZINC000065110994 569106219 /nfs/dbraw/zinc/10/62/19/569106219.db2.gz QUIFMEAHAVZIPT-UHFFFAOYSA-N 0 0 448.317 5.210 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000065110956 569106230 /nfs/dbraw/zinc/10/62/30/569106230.db2.gz LUYHYXNGVUKLSH-UHFFFAOYSA-N 0 0 433.577 5.151 50 0 IKAARN Cc1ccccc1Oc1nccnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000065111169 569106300 /nfs/dbraw/zinc/10/63/00/569106300.db2.gz GUTQSYOGFJAOHZ-UHFFFAOYSA-N 0 0 444.354 5.379 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(C)cc3C)C2)cc1 ZINC000065111232 569106381 /nfs/dbraw/zinc/10/63/81/569106381.db2.gz QXGOSPCQILIKKQ-VXKWHMMOSA-N 0 0 444.579 5.288 50 0 IKAARN Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4cccc(C)c4C)c4ccccc43)n2)c1 ZINC000065111324 569106475 /nfs/dbraw/zinc/10/64/75/569106475.db2.gz JEBKLOVLDJGFLB-UHFFFAOYSA-N 0 0 437.503 5.317 50 0 IKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1F ZINC000065114676 569106558 /nfs/dbraw/zinc/10/65/58/569106558.db2.gz GUTBJELOQGSMGP-UHFFFAOYSA-N 0 0 431.309 5.065 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(Br)c(C)c2)n1 ZINC000065114400 569106568 /nfs/dbraw/zinc/10/65/68/569106568.db2.gz KRWUDBULEADCRC-UHFFFAOYSA-N 0 0 439.357 5.379 50 0 IKAARN COc1cc(Cl)c(C)cc1Nc1c(C(=O)N2CCC(C)CC2)cnc2nc(C)ccc21 ZINC000065114660 569106577 /nfs/dbraw/zinc/10/65/77/569106577.db2.gz AXDAMNFMNUFVPH-UHFFFAOYSA-N 0 0 438.959 5.524 50 0 IKAARN COc1cccc(N(Cc2nc(-c3cccc(C)c3)oc2C)S(=O)(=O)c2ccccc2)c1 ZINC000065115650 569106832 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50 0 IKAARN Oc1cccc(-c2nc3cnc(Br)cn3c2Nc2cccc(C(F)(F)F)c2)c1 ZINC000065331639 569137299 /nfs/dbraw/zinc/13/72/99/569137299.db2.gz XFPQCZZKERKQAL-UHFFFAOYSA-N 0 0 449.230 5.627 50 0 IKAARN CC[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000036747875 569137421 /nfs/dbraw/zinc/13/74/21/569137421.db2.gz ALFQBIROTOVSQJ-FNAQCPJJSA-N 0 0 434.624 5.050 50 0 IKAARN Cc1nc2c(c(N3CCC(NC(=O)N(c4ccccc4)c4ccccc4)CC3)n1)CCCC2 ZINC000238918870 569137888 /nfs/dbraw/zinc/13/78/88/569137888.db2.gz SUHKBQQLFPEBHD-UHFFFAOYSA-N 0 0 441.579 5.181 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc(C2SCCCS2)cc1 ZINC000065521951 569139159 /nfs/dbraw/zinc/13/91/59/569139159.db2.gz MTIYJKWCBZGKHH-UHFFFAOYSA-N 0 0 430.595 5.994 50 0 IKAARN CC(C)CC(=O)Nc1ccc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 ZINC000065553990 569139742 /nfs/dbraw/zinc/13/97/42/569139742.db2.gz ABLKGEZCMPZTHA-QHCPKHFHSA-N 0 0 435.593 5.368 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000065575487 569139758 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5.026 50 0 IKAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000037176552 569140602 /nfs/dbraw/zinc/14/06/02/569140602.db2.gz CMXYEKMAEPELHY-UHFFFAOYSA-N 0 0 425.479 5.150 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000170591855 569140969 /nfs/dbraw/zinc/14/09/69/569140969.db2.gz HYIVBQDLOKIOKY-UHFFFAOYSA-N 0 0 428.583 5.347 50 0 IKAARN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000037243330 569142937 /nfs/dbraw/zinc/14/29/37/569142937.db2.gz FPVFEIBTNZKHAV-RBKPBRHPSA-N 0 0 433.592 5.727 50 0 biogenic IKAARN COc1ccc(CN(Cc2ncc(-c3cccc(F)c3)o2)[C@H](CCO)c2ccco2)cc1 ZINC000170601561 569143007 /nfs/dbraw/zinc/14/30/07/569143007.db2.gz XPUNWNBGNAJPAX-JOCHJYFZSA-N 0 0 436.483 5.208 50 0 IKAARN CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)C(C)(C)COCC(F)F)n2)cc1 ZINC000170605039 569144063 /nfs/dbraw/zinc/14/40/63/569144063.db2.gz ITNXWHJOGXUMIQ-UHFFFAOYSA-N 0 0 439.528 5.041 50 0 IKAARN Fc1cc([C@H]2OCC[C@H]2c2nc(-c3cccnc3Oc3ccccc3)no2)ccc1Cl ZINC000170606744 569144436 /nfs/dbraw/zinc/14/44/36/569144436.db2.gz PWYJLDKYYFUXPP-OXQOHEQNSA-N 0 0 437.858 5.962 50 0 IKAARN CCOC(=O)c1csc([C@@H]2CCCN2c2nc(-c3cccs3)nc3ccccc32)n1 ZINC000170611269 569145145 /nfs/dbraw/zinc/14/51/45/569145145.db2.gz JUCJLRQYAZMZIG-KRWDZBQOSA-N 0 0 436.562 5.333 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1cccc(C)c1 ZINC000037278354 569145416 /nfs/dbraw/zinc/14/54/16/569145416.db2.gz JZFULSBMJRXTQY-UHFFFAOYSA-N 0 0 439.559 6.415 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4F)c(OC)c3)no2)c(OC)c1 ZINC000037278943 569145489 /nfs/dbraw/zinc/14/54/89/569145489.db2.gz NELAZUYEAMMTOA-UHFFFAOYSA-N 0 0 436.439 5.148 50 0 IKAARN COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2cccc(CC(=O)NCC(C)C)c2)c1 ZINC000037280350 569145753 /nfs/dbraw/zinc/14/57/53/569145753.db2.gz ONEYJZHFBMCPMG-UHFFFAOYSA-N 0 0 444.575 5.165 50 0 IKAARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(Cl)c2)CC(=O)N1Cc1cccc(F)c1 ZINC000037280134 569145843 /nfs/dbraw/zinc/14/58/43/569145843.db2.gz 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COc1cc(OC)cc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3F)C2)c1 ZINC000170615708 569146589 /nfs/dbraw/zinc/14/65/89/569146589.db2.gz XIMLBHCBMOZEAZ-QHCPKHFHSA-N 0 0 438.886 5.488 50 0 IKAARN CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000170618430 569147024 /nfs/dbraw/zinc/14/70/24/569147024.db2.gz GCEBMHRKGIXDFV-OAQYLSRUSA-N 0 0 432.574 5.750 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3cc(C)ccc3c2-c2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000170620061 569147474 /nfs/dbraw/zinc/14/74/74/569147474.db2.gz QUZYNFWWWOMOLZ-XMMPIXPASA-N 0 0 439.490 5.753 50 0 IKAARN CC(=O)c1c(C)cc(C)c(C[S@@](=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1C ZINC000170621974 569147727 /nfs/dbraw/zinc/14/77/27/569147727.db2.gz QQPQCJZJRLSHRJ-PMERELPUSA-N 0 0 441.574 5.116 50 0 IKAARN C[C@@H](Sc1nncn1C(C)(C)C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000170620703 569147850 /nfs/dbraw/zinc/14/78/50/569147850.db2.gz DPYUZPKMMYKBQV-OAHLLOKOSA-N 0 0 425.989 5.938 50 0 IKAARN O=C(CCn1ccc2cc(Br)ccc21)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000170622114 569147875 /nfs/dbraw/zinc/14/78/75/569147875.db2.gz FWEYYMJUHHKYCJ-HXUWFJFHSA-N 0 0 436.353 5.469 50 0 IKAARN COCc1c(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)sc2cccc(F)c21 ZINC000170620727 569147921 /nfs/dbraw/zinc/14/79/21/569147921.db2.gz LDZNAQVDPCTTLV-UHFFFAOYSA-N 0 0 433.917 5.611 50 0 IKAARN CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H]3CCCc4nc(C)sc43)s2)cc1 ZINC000170624871 569148124 /nfs/dbraw/zinc/14/81/24/569148124.db2.gz HPJUGHVJBYNAOL-GOSISDBHSA-N 0 0 427.595 5.432 50 0 IKAARN CC(C)(C)c1cc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)n(C(C)(C)C)n1 ZINC000170625308 569148354 /nfs/dbraw/zinc/14/83/54/569148354.db2.gz SVPHEXIVVXGFML-INIZCTEOSA-N 0 0 425.602 5.914 50 0 IKAARN Cc1csc(C(C)(C)NC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)n1 ZINC000170629373 569148876 /nfs/dbraw/zinc/14/88/76/569148876.db2.gz JRHQGHUFIXHKOL-UHFFFAOYSA-N 0 0 426.542 5.924 50 0 IKAARN COc1ccc(-c2nc(CSc3nc4ccccc4c4nc(C)nn43)cs2)cc1OC ZINC000013229506 569149250 /nfs/dbraw/zinc/14/92/50/569149250.db2.gz WCTJZPBUEWLQNP-UHFFFAOYSA-N 0 0 449.561 5.019 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)n2C)c(C)n1CCc1cccs1 ZINC000009870935 569149424 /nfs/dbraw/zinc/14/94/24/569149424.db2.gz GOQTYRLMZFAJOH-UHFFFAOYSA-N 0 0 440.594 5.081 50 0 IKAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2S[C@@H]2C[C@H](C)OC2=O)c(C)c1 ZINC000009870982 569149455 /nfs/dbraw/zinc/14/94/55/569149455.db2.gz QASVENCJUYSPON-FDDCHVKYSA-N 0 0 443.572 5.424 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnnn2-c2cc(C)ccc2C)c2ccccc2)cc1 ZINC000009882496 569149651 /nfs/dbraw/zinc/14/96/51/569149651.db2.gz ZKQVGGPRYOSTPI-QFIPXVFZSA-N 0 0 429.549 5.060 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnnn2-c2cc(C)ccc2C)c2ccccc2)cc1 ZINC000009882494 569149653 /nfs/dbraw/zinc/14/96/53/569149653.db2.gz ZKQVGGPRYOSTPI-JOCHJYFZSA-N 0 0 429.549 5.060 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)COc3ccccc3C(=O)Nc3ccccc3)c2)cs1 ZINC000009882444 569149695 /nfs/dbraw/zinc/14/96/95/569149695.db2.gz YRDGFXVKTZLZFA-UHFFFAOYSA-N 0 0 443.528 5.388 50 0 IKAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccc(F)cc1Cl ZINC000009883448 569149963 /nfs/dbraw/zinc/14/99/63/569149963.db2.gz XXPNGCGRUIOFDQ-VIFPVBQESA-N 0 0 429.826 5.560 50 0 IKAARN CC(C)(C)C(=O)NCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)s1 ZINC000009883487 569149981 /nfs/dbraw/zinc/14/99/81/569149981.db2.gz UWGDJIUBZAYKRM-UHFFFAOYSA-N 0 0 439.606 5.549 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2)s1)N(Cc1ccco1)C1=CCCCC1 ZINC000009909551 569150333 /nfs/dbraw/zinc/15/03/33/569150333.db2.gz HVCOQFSTMKWZKQ-UHFFFAOYSA-N 0 0 426.567 5.454 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccco4)c3c2N)cc1 ZINC000009910450 569150487 /nfs/dbraw/zinc/15/04/87/569150487.db2.gz LWOOKDDLNRJJOE-UHFFFAOYSA-N 0 0 440.524 6.354 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1C ZINC000009908774 569150575 /nfs/dbraw/zinc/15/05/75/569150575.db2.gz KSLROEYHNDFZCI-OAQYLSRUSA-N 0 0 432.549 5.472 50 0 IKAARN O=C(CCCSc1ccc(Cl)cc1)Nc1nc2c(s1)CSc1ccccc1-2 ZINC000009910716 569150600 /nfs/dbraw/zinc/15/06/00/569150600.db2.gz IGMJGMZJAHBCKG-UHFFFAOYSA-N 0 0 433.023 6.580 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nccn3-c3cccc(F)c3)cs2)cc1 ZINC000009908954 569150703 /nfs/dbraw/zinc/15/07/03/569150703.db2.gz BXZVUYVYKLNREZ-UHFFFAOYSA-N 0 0 438.553 5.250 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(O)c2ccccc12 ZINC000009908904 569150708 /nfs/dbraw/zinc/15/07/08/569150708.db2.gz ZVGJBLJUPYWGEA-HSZRJFAPSA-N 0 0 444.918 5.699 50 0 IKAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)CCc1ccco1 ZINC000010024243 569151363 /nfs/dbraw/zinc/15/13/63/569151363.db2.gz KPWSGOCRNKOZDD-UHFFFAOYSA-N 0 0 433.939 5.436 50 0 IKAARN Cc1nc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)cs1 ZINC000010024128 569151414 /nfs/dbraw/zinc/15/14/14/569151414.db2.gz JUWIDAMDWBPNHA-UHFFFAOYSA-N 0 0 449.601 5.660 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)ccc2c1 ZINC000010024747 569151495 /nfs/dbraw/zinc/15/14/95/569151495.db2.gz GFKHDBYEAOAGNE-UHFFFAOYSA-N 0 0 428.488 5.274 50 0 IKAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCCCO4)cc12 ZINC000010024911 569151538 /nfs/dbraw/zinc/15/15/38/569151538.db2.gz YQFCHOOSOCZIEZ-UHFFFAOYSA-N 0 0 437.496 5.007 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000010025388 569151556 /nfs/dbraw/zinc/15/15/56/569151556.db2.gz WCMGHZAQPFFEMD-UHFFFAOYSA-N 0 0 433.515 5.594 50 0 IKAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)cs1 ZINC000010024661 569151577 /nfs/dbraw/zinc/15/15/77/569151577.db2.gz JPDHPYUXIDBCKT-UHFFFAOYSA-N 0 0 437.590 5.085 50 0 IKAARN Cc1cc2c(nc(SCC(=O)c3ccc(Cl)cc3)n(Cc3ccco3)c2=O)s1 ZINC000010024406 569151578 /nfs/dbraw/zinc/15/15/78/569151578.db2.gz KRVDCHDLQJGFMZ-UHFFFAOYSA-N 0 0 430.938 5.036 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1C ZINC000010026886 569151679 /nfs/dbraw/zinc/15/16/79/569151679.db2.gz HOWPUDZSXJYTLP-KRWDZBQOSA-N 0 0 429.545 5.808 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnc2ccccn21)c1ccccc1 ZINC000010028525 569151806 /nfs/dbraw/zinc/15/18/06/569151806.db2.gz ZCVFSTGFEMWXLH-GOSISDBHSA-N 0 0 429.332 5.508 50 0 IKAARN Fc1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c3ccccc3n2)cc1 ZINC000003583584 569151936 /nfs/dbraw/zinc/15/19/36/569151936.db2.gz TXNQHRJSEQWGCB-UHFFFAOYSA-N 0 0 435.380 6.777 50 0 IKAARN O=C(C[C@]1(O)c2ccccc2N(CCCc2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000010059177 569152095 /nfs/dbraw/zinc/15/20/95/569152095.db2.gz GXTRESROKNMPNM-LJAQVGFWSA-N 0 0 439.555 5.005 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 ZINC000010058934 569152111 /nfs/dbraw/zinc/15/21/11/569152111.db2.gz DTIBEYXKOIHUPZ-HHHXNRCGSA-N 0 0 433.515 5.692 50 0 IKAARN Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)nn12 ZINC000010059512 569152154 /nfs/dbraw/zinc/15/21/54/569152154.db2.gz UQBMPYQLNPUEAW-UHFFFAOYSA-N 0 0 447.564 5.226 50 0 IKAARN CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000010059517 569152222 /nfs/dbraw/zinc/15/22/22/569152222.db2.gz UZRJJBQKACWMSQ-GDLZYMKVSA-N 0 0 435.523 5.410 50 0 IKAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000010059518 569152244 /nfs/dbraw/zinc/15/22/44/569152244.db2.gz MSVWZQXQYZYXAX-PMERELPUSA-N 0 0 449.550 5.971 50 0 IKAARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000010059609 569152325 /nfs/dbraw/zinc/15/23/25/569152325.db2.gz YINNRXHQONSTFJ-VAVYLYDRSA-N 0 0 433.507 5.020 50 0 IKAARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000010059611 569152363 /nfs/dbraw/zinc/15/23/63/569152363.db2.gz YINNRXHQONSTFJ-ABYGYWHVSA-N 0 0 433.507 5.020 50 0 IKAARN CC(=O)N[C@H](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000010080384 569152534 /nfs/dbraw/zinc/15/25/34/569152534.db2.gz FZXOIGYRBRGNLW-DENIHFKCSA-N 0 0 430.932 5.014 50 0 IKAARN CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000010080377 569152588 /nfs/dbraw/zinc/15/25/88/569152588.db2.gz FZXOIGYRBRGNLW-KNQAVFIVSA-N 0 0 430.932 5.014 50 0 IKAARN Clc1ccc(Oc2ccc(Nc3ncnc4c3cnn4-c3cccc(Cl)c3)cc2)cc1 ZINC000010254028 569154075 /nfs/dbraw/zinc/15/40/75/569154075.db2.gz 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ZINC000013329425 569155155 /nfs/dbraw/zinc/15/51/55/569155155.db2.gz IFHXWHAQDKDHDU-UHFFFAOYSA-N 0 0 443.762 6.148 50 0 IKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000013330782 569155178 /nfs/dbraw/zinc/15/51/78/569155178.db2.gz RZUKZXHRXFVRJK-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN Cc1ccc(Cn2cc(Br)c(NC(=S)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000013330419 569155190 /nfs/dbraw/zinc/15/51/90/569155190.db2.gz MGKUVWRXFOKETK-UHFFFAOYSA-N 0 0 449.805 5.773 50 0 IKAARN CCC1=Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2Sc2ccc(C)cc21 ZINC000013365772 569155265 /nfs/dbraw/zinc/15/52/65/569155265.db2.gz CSUIHYASYGSZBR-UHFFFAOYSA-N 0 0 430.529 5.649 50 0 IKAARN Cc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](c2ccccc2)CC3)cc1 ZINC000013575340 569155784 /nfs/dbraw/zinc/15/57/84/569155784.db2.gz KXXSHNBMRIXNIM-JOCHJYFZSA-N 0 0 435.523 5.855 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1C[C@H](c1ccccc1)CC2)c1ccc(F)cc1 ZINC000013575998 569155908 /nfs/dbraw/zinc/15/59/08/569155908.db2.gz HXPVJQNXWZYYOY-HXUWFJFHSA-N 0 0 439.486 5.686 50 0 IKAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](Sc5cccc(N)c5)C4=O)cc3)sc2c1 ZINC000013576069 569155953 /nfs/dbraw/zinc/15/59/53/569155953.db2.gz BMQRINYPUMNQKW-NRFANRHFSA-N 0 0 445.569 5.278 50 0 IKAARN C[C@@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013579166 569156132 /nfs/dbraw/zinc/15/61/32/569156132.db2.gz IIOAHCKQGJYWKY-ZWKOTPCHSA-N 0 0 447.629 5.954 50 0 IKAARN O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013698653 569156683 /nfs/dbraw/zinc/15/66/83/569156683.db2.gz URNJHKMLSFXFCV-UHFFFAOYSA-N 0 0 431.517 5.183 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000013768348 569156924 /nfs/dbraw/zinc/15/69/24/569156924.db2.gz JKFIKYGIFFBFFN-UHFFFAOYSA-N 0 0 428.816 5.470 50 0 IKAARN Cc1cccc(CC(=O)Nc2cccc(-c3ccc4nnc(-c5cccs5)n4n3)c2)c1 ZINC000014055554 569157711 /nfs/dbraw/zinc/15/77/11/569157711.db2.gz DGCSKELDOJQIOO-UHFFFAOYSA-N 0 0 425.517 5.009 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000014377245 569158864 /nfs/dbraw/zinc/15/88/64/569158864.db2.gz XUPRHVIGAWIHNR-UHFFFAOYSA-N 0 0 431.851 5.957 50 0 IKAARN CC(=O)N[C@H](CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1 ZINC000014604152 569159460 /nfs/dbraw/zinc/15/94/60/569159460.db2.gz KLWIERYUSXMBKF-LJQANCHMSA-N 0 0 448.375 5.247 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609726 569159481 /nfs/dbraw/zinc/15/94/81/569159481.db2.gz KMHAMYRALTZVCI-UHFFFAOYSA-N 0 0 437.272 5.088 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccccc2Cl)cc1 ZINC000014610106 569159543 /nfs/dbraw/zinc/15/95/43/569159543.db2.gz NISGJIUDUWBCAC-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN CC(C)(C(=O)NCc1ccnc2ccccc12)[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000089621125 569159978 /nfs/dbraw/zinc/15/99/78/569159978.db2.gz ORJCYCUPBXVRNK-AREMUKBSSA-N 0 0 440.543 5.190 50 0 IKAARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)n2)n1 ZINC000089637076 569160229 /nfs/dbraw/zinc/16/02/29/569160229.db2.gz JWITUUPIUCBYSC-UHFFFAOYSA-N 0 0 432.911 5.891 50 0 IKAARN Cc1ccc(-c2csc3ncnc(N4CCC(c5nncn5C5CC5)CC4)c23)cc1C ZINC000089643326 569160356 /nfs/dbraw/zinc/16/03/56/569160356.db2.gz COJFQCAUQAPAMB-UHFFFAOYSA-N 0 0 430.581 5.286 50 0 IKAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S ZINC000089642583 569160365 /nfs/dbraw/zinc/16/03/65/569160365.db2.gz JLYHPBNNQGJJGX-INIZCTEOSA-N 0 0 443.642 5.414 50 0 IKAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S ZINC000089642584 569160369 /nfs/dbraw/zinc/16/03/69/569160369.db2.gz JLYHPBNNQGJJGX-MRXNPFEDSA-N 0 0 443.642 5.414 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662093 569160990 /nfs/dbraw/zinc/16/09/90/569160990.db2.gz GCSKBMGZXBBUQY-WOJBJXKFSA-N 0 0 445.991 5.749 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662153 569161007 /nfs/dbraw/zinc/16/10/07/569161007.db2.gz NYMNHIOZXYHXJA-RBUKOAKNSA-N 0 0 446.979 5.144 50 0 IKAARN CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000089677969 569161222 /nfs/dbraw/zinc/16/12/22/569161222.db2.gz SMZQPOBYJIVSES-AREMUKBSSA-N 0 0 436.515 5.251 50 0 IKAARN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC000014663051 569161248 /nfs/dbraw/zinc/16/12/48/569161248.db2.gz QHJOOXNKABSFBQ-UHFFFAOYSA-N 0 0 432.501 5.467 50 0 IKAARN O=C(c1ccc(Oc2ccc(F)cc2Br)nc1)N1CCC[C@H]1c1ccc[nH]1 ZINC000089767980 569162369 /nfs/dbraw/zinc/16/23/69/569162369.db2.gz PDEJRJHIFQEOSI-KRWDZBQOSA-N 0 0 430.277 5.081 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(CNc3cccc4c3CN(c3nccs3)C4)n2)c1 ZINC000089774541 569162629 /nfs/dbraw/zinc/16/26/29/569162629.db2.gz BTRYINZVQTYOIK-UHFFFAOYSA-N 0 0 443.454 5.344 50 0 IKAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000016837915 569162742 /nfs/dbraw/zinc/16/27/42/569162742.db2.gz YQMFYRIEVDLXHD-UHFFFAOYSA-N 0 0 432.483 5.008 50 0 IKAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)oc4C)ccn3n2)cc1 ZINC000016840079 569163151 /nfs/dbraw/zinc/16/31/51/569163151.db2.gz IEUQKODJLKLPSN-UHFFFAOYSA-N 0 0 444.922 5.391 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000016841081 569163231 /nfs/dbraw/zinc/16/32/31/569163231.db2.gz IQQISHNNONYERX-UHFFFAOYSA-N 0 0 431.311 5.038 50 0 IKAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4cccc(Cl)c4)oc3C)n2)c1 ZINC000016840786 569163264 /nfs/dbraw/zinc/16/32/64/569163264.db2.gz WHWHRNQUEKRVBB-UHFFFAOYSA-N 0 0 439.924 5.767 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)Sc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000016841941 569163364 /nfs/dbraw/zinc/16/33/64/569163364.db2.gz WCSCBQPOXQVFGE-LBPRGKRZSA-N 0 0 433.327 5.232 50 0 IKAARN Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3Cc3ccccc3)n2)c1 ZINC000016843226 569163605 /nfs/dbraw/zinc/16/36/05/569163605.db2.gz DHESHRWASSQCAA-UHFFFAOYSA-N 0 0 446.557 5.157 50 0 IKAARN CCCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(C)cc2)no1 ZINC000016843290 569163609 /nfs/dbraw/zinc/16/36/09/569163609.db2.gz CKRRPTKVHHBLLR-UHFFFAOYSA-N 0 0 426.567 5.299 50 0 IKAARN CC(C)Cn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000016843535 569163714 /nfs/dbraw/zinc/16/37/14/569163714.db2.gz IGGZDSQJKLHNOL-UHFFFAOYSA-N 0 0 432.958 5.110 50 0 IKAARN COc1ccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c(OC)c1 ZINC000016848908 569164335 /nfs/dbraw/zinc/16/43/35/569164335.db2.gz YOJZAOKSBYYUPA-UHFFFAOYSA-N 0 0 441.940 5.305 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000016884246 569165234 /nfs/dbraw/zinc/16/52/34/569165234.db2.gz UQFDMUXYOONNOJ-FQEVSTJZSA-N 0 0 430.548 5.210 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000016884244 569165236 /nfs/dbraw/zinc/16/52/36/569165236.db2.gz UQFDMUXYOONNOJ-HXUWFJFHSA-N 0 0 430.548 5.210 50 0 IKAARN S=C(NCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 ZINC000089836530 569165296 /nfs/dbraw/zinc/16/52/96/569165296.db2.gz ZLBSIKXSMMFVNS-IBGZPJMESA-N 0 0 440.366 5.268 50 0 IKAARN CCc1ccc(NC(=O)[C@H](CC)n2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 ZINC000016895646 569165780 /nfs/dbraw/zinc/16/57/80/569165780.db2.gz NURTWFMRKOKGTO-QFIPXVFZSA-N 0 0 445.588 5.894 50 0 IKAARN CN1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 ZINC000016916135 569166187 /nfs/dbraw/zinc/16/61/87/569166187.db2.gz XGYSDJVERWJYGI-UHFFFAOYSA-N 0 0 441.528 5.543 50 0 IKAARN CN1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016916128 569166269 /nfs/dbraw/zinc/16/62/69/569166269.db2.gz XOZVAFPWUHETIL-UHFFFAOYSA-N 0 0 435.574 5.030 50 0 IKAARN COCCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1c[nH]c2ccccc21 ZINC000016942953 569166849 /nfs/dbraw/zinc/16/68/49/569166849.db2.gz WNNSZIOKKBTWKN-UHFFFAOYSA-N 0 0 432.471 5.384 50 0 IKAARN COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 ZINC000089904817 569167082 /nfs/dbraw/zinc/16/70/82/569167082.db2.gz YEKDDCBUFIMHPK-GCJKJVERSA-N 0 0 430.957 5.467 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000016955061 569167615 /nfs/dbraw/zinc/16/76/15/569167615.db2.gz UFRHPGPSHZLJEU-UHFFFAOYSA-N 0 0 440.528 5.399 50 0 IKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2cccc(F)c2)c1 ZINC000016960600 569168196 /nfs/dbraw/zinc/16/81/96/569168196.db2.gz DCVGPOKHRGSVBV-UHFFFAOYSA-N 0 0 431.492 5.307 50 0 IKAARN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000089955584 569168799 /nfs/dbraw/zinc/16/87/99/569168799.db2.gz KLABSGYSJHFZPG-UHFFFAOYSA-N 0 0 439.408 5.141 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccccn1)C(=S)NCc1ccccc1 ZINC000016977103 569168933 /nfs/dbraw/zinc/16/89/33/569168933.db2.gz PJIKWPUCVIUNLP-UHFFFAOYSA-N 0 0 449.023 5.644 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000016977060 569168959 /nfs/dbraw/zinc/16/89/59/569168959.db2.gz FOLITJWCPUPDJO-UHFFFAOYSA-N 0 0 431.304 5.728 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc21)Cc1ccccn1 ZINC000016977655 569169301 /nfs/dbraw/zinc/16/93/01/569169301.db2.gz BXQHMKONYSUPBN-UHFFFAOYSA-N 0 0 430.577 5.322 50 0 IKAARN CCN(CC)[P@@](/C=C1\N(C)c2ccccc2C1(C)C)(=Nc1ccccc1)c1ccccc1 ZINC000089969015 569169359 /nfs/dbraw/zinc/16/93/59/569169359.db2.gz YYMRIGWQLKKTNY-RKMUVQNVSA-N 0 0 443.575 7.371 50 0 IKAARN COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)cc1OC ZINC000016993215 569169794 /nfs/dbraw/zinc/16/97/94/569169794.db2.gz FZMDOAACHRCGON-UHFFFAOYSA-N 0 0 449.890 5.895 50 0 IKAARN CCOc1cc(C(=O)N(C)c2ncc(-c3ccccc3)s2)ccc1OCc1cccnc1 ZINC000089991003 569170087 /nfs/dbraw/zinc/17/00/87/569170087.db2.gz QFVRZABUODGBRI-UHFFFAOYSA-N 0 0 445.544 5.459 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1 ZINC000017013042 569170444 /nfs/dbraw/zinc/17/04/44/569170444.db2.gz JLOJFKVZSOKRMJ-UHFFFAOYSA-N 0 0 431.540 5.800 50 0 IKAARN CCCC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(C(C)=O)c1 ZINC000014734978 569170469 /nfs/dbraw/zinc/17/04/69/569170469.db2.gz ZOWKYZHNYXOJRH-KRWDZBQOSA-N 0 0 432.520 5.037 50 0 IKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000017013565 569170704 /nfs/dbraw/zinc/17/07/04/569170704.db2.gz VJNNQBDSUIVCKB-UHFFFAOYSA-N 0 0 429.911 6.178 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 ZINC000017013149 569170880 /nfs/dbraw/zinc/17/08/80/569170880.db2.gz ZXQHCXLJHQPZAD-UHFFFAOYSA-N 0 0 436.947 5.816 50 0 IKAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3C)c3ccccc23)cc1 ZINC000017041729 569171486 /nfs/dbraw/zinc/17/14/86/569171486.db2.gz KYQXKTLKJWGAKM-UHFFFAOYSA-N 0 0 446.572 5.179 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1 ZINC000017042797 569171601 /nfs/dbraw/zinc/17/16/01/569171601.db2.gz ARIHVDDZRFQEBF-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN C[C@H](CC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@H]1C)CC(C)(C)C ZINC000037356206 569171847 /nfs/dbraw/zinc/17/18/47/569171847.db2.gz ATIXIYQZRSLFKZ-IAGOWNOFSA-N 0 0 446.542 5.047 50 0 IKAARN C[C@H](CC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@@H]1C)CC(C)(C)C ZINC000037356207 569171885 /nfs/dbraw/zinc/17/18/85/569171885.db2.gz ATIXIYQZRSLFKZ-SJORKVTESA-N 0 0 446.542 5.047 50 0 IKAARN O=C(c1cccnc1Nc1ccccc1F)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000170633196 569172297 /nfs/dbraw/zinc/17/22/97/569172297.db2.gz LBFUSJIVJPDFHB-QFIPXVFZSA-N 0 0 439.918 5.204 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)C[C@@H]1C ZINC000037356663 569172371 /nfs/dbraw/zinc/17/23/71/569172371.db2.gz ORRJXXYATJMFCS-DLBZAZTESA-N 0 0 448.970 5.315 50 0 IKAARN Cc1nc(C(C)(C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)sc1C ZINC000170633523 569173072 /nfs/dbraw/zinc/17/30/72/569173072.db2.gz SJJUGBPINKNSKE-UHFFFAOYSA-N 0 0 425.602 5.111 50 0 IKAARN C[C@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000037357138 569173155 /nfs/dbraw/zinc/17/31/55/569173155.db2.gz IOAMPPMPMJPSJA-INIZCTEOSA-N 0 0 446.448 5.138 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@@H]1C ZINC000037357051 569173182 /nfs/dbraw/zinc/17/31/82/569173182.db2.gz XXNALHSYXHXEJE-SFHVURJKSA-N 0 0 430.980 5.238 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@@H]1C ZINC000037357010 569173184 /nfs/dbraw/zinc/17/31/84/569173184.db2.gz ZESGQIKKBMNRQL-RBUKOAKNSA-N 0 0 445.007 5.484 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)NCCc1ccccc1 ZINC000017121929 569174243 /nfs/dbraw/zinc/17/42/43/569174243.db2.gz WICLRDSNHZTOKW-UHFFFAOYSA-N 0 0 431.605 5.540 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(F)c1 ZINC000017121903 569174264 /nfs/dbraw/zinc/17/42/64/569174264.db2.gz HDQNPNALPBZRGX-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cccc(C)c4)cc3)n2)cc1 ZINC000017122729 569174265 /nfs/dbraw/zinc/17/42/65/569174265.db2.gz XUZWDOXBMFHBEO-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(C)c1 ZINC000017135403 569174379 /nfs/dbraw/zinc/17/43/79/569174379.db2.gz MEVICGKMPCDPGS-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2C)cc1 ZINC000017135907 569174470 /nfs/dbraw/zinc/17/44/70/569174470.db2.gz OTNZKHJKCPJGBX-UHFFFAOYSA-N 0 0 427.529 5.476 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccccc1C ZINC000017135999 569174478 /nfs/dbraw/zinc/17/44/78/569174478.db2.gz CXFUVIVIMRFADT-UHFFFAOYSA-N 0 0 449.023 6.275 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccccc3C)c2c1 ZINC000017136003 569174504 /nfs/dbraw/zinc/17/45/04/569174504.db2.gz BFRUHFGHAPIFNW-UHFFFAOYSA-N 0 0 433.577 5.828 50 0 IKAARN Cc1ccc(OCCOc2ccc(Cl)c(C)c2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000008958833 569174587 /nfs/dbraw/zinc/17/45/87/569174587.db2.gz AOFDEQQKBNLHKW-XQNSMLJCSA-N 0 0 447.918 5.759 50 0 IKAARN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000017149774 569174826 /nfs/dbraw/zinc/17/48/26/569174826.db2.gz DSATXVZGCVGMQL-UHFFFAOYSA-N 0 0 427.357 5.085 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cccc(Br)c1 ZINC000017149854 569174827 /nfs/dbraw/zinc/17/48/27/569174827.db2.gz IJSJPLKNOXMDML-UHFFFAOYSA-N 0 0 441.350 5.356 50 0 IKAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1cccc(C(F)(F)F)c1 ZINC000017149899 569174876 /nfs/dbraw/zinc/17/48/76/569174876.db2.gz ZTMASZKVCMSHLV-UHFFFAOYSA-N 0 0 437.874 5.258 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1cccc(Br)c1 ZINC000017149846 569174918 /nfs/dbraw/zinc/17/49/18/569174918.db2.gz FCPZOXHHULBEJP-UHFFFAOYSA-N 0 0 441.350 5.356 50 0 IKAARN O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000017156418 569175161 /nfs/dbraw/zinc/17/51/61/569175161.db2.gz FTHJRIOKQCOHPL-UHFFFAOYSA-N 0 0 432.954 5.356 50 0 IKAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC1CC1)nc2-c1ccc(Cl)cc1 ZINC000037357960 569175680 /nfs/dbraw/zinc/17/56/80/569175680.db2.gz DXXBTKIONOADFV-UHFFFAOYSA-N 0 0 425.323 5.193 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000937766 569176409 /nfs/dbraw/zinc/17/64/09/569176409.db2.gz HJOUPIXGNPZFQH-INIZCTEOSA-N 0 0 438.911 5.397 50 0 IKAARN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 ZINC000001050478 569176441 /nfs/dbraw/zinc/17/64/41/569176441.db2.gz RDHWDLYNJOFCSV-UHFFFAOYSA-N 0 0 434.348 5.498 50 0 IKAARN CC(C)CNc1nc2nn(-c3ccc(Cl)c(Cl)c3)c(N)c2c(-c2ccccc2F)n1 ZINC000037358897 569176839 /nfs/dbraw/zinc/17/68/39/569176839.db2.gz WPFVLLBJXWRDIS-UHFFFAOYSA-N 0 0 445.329 5.579 50 0 IKAARN Cc1cccc(-n2nc3nc(NCc4cccc(F)c4)nc(-c4ccccc4F)c3c2N)c1 ZINC000037358926 569176864 /nfs/dbraw/zinc/17/68/64/569176864.db2.gz QKCINPGYXIIVOP-UHFFFAOYSA-N 0 0 442.473 5.263 50 0 IKAARN CN(C)c1ccc(-c2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc43)o2)cc1 ZINC000002072355 569176976 /nfs/dbraw/zinc/17/69/76/569176976.db2.gz ZDGXOZUYPPDOLN-UHFFFAOYSA-N 0 0 426.907 6.338 50 0 IKAARN CCC(CC)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1OC)c2=O ZINC000001807489 569177089 /nfs/dbraw/zinc/17/70/89/569177089.db2.gz HLEQBCMKDOWTQT-UHFFFAOYSA-N 0 0 434.410 5.829 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Oc3ccccc3)cc1)CCC2)c1ccco1 ZINC000002826585 569177405 /nfs/dbraw/zinc/17/74/05/569177405.db2.gz FGQNFFVVSBEIBX-UHFFFAOYSA-N 0 0 444.512 6.127 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)C(C(=O)Nc1cc(Cl)ccc1C)c1ccccc1 ZINC000002826431 569177477 /nfs/dbraw/zinc/17/74/77/569177477.db2.gz OKWHTSDLVJSHCO-UHFFFAOYSA-N 0 0 427.331 5.971 50 0 IKAARN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(OCCOc2ccccc2Cl)cc1 ZINC000002823902 569177501 /nfs/dbraw/zinc/17/75/01/569177501.db2.gz RQAYEKXHAUFSNT-RCCKNPSSSA-N 0 0 437.854 5.281 50 0 IKAARN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 ZINC000002872210 569177611 /nfs/dbraw/zinc/17/76/11/569177611.db2.gz QAVUWBOTEBAICE-UHFFFAOYSA-N 0 0 434.536 5.340 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000002875581 569177614 /nfs/dbraw/zinc/17/76/14/569177614.db2.gz OAHMMQGRPYZMHH-UHFFFAOYSA-N 0 0 444.705 6.616 50 0 IKAARN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000003105250 569177690 /nfs/dbraw/zinc/17/76/90/569177690.db2.gz IRJMDLGPSAWRLO-UHFFFAOYSA-N 0 0 438.955 5.985 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)CS3)[C@H]1C ZINC000003638668 569177869 /nfs/dbraw/zinc/17/78/69/569177869.db2.gz KOZCXMOBTLICCN-GQIGUUNPSA-N 0 0 443.012 5.533 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1C ZINC000002083946 569178275 /nfs/dbraw/zinc/17/82/75/569178275.db2.gz FIZJRWLEZXSQQT-HYARGMPZSA-N 0 0 447.918 5.971 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000002084805 569178309 /nfs/dbraw/zinc/17/83/09/569178309.db2.gz UWRVJMPSNRKUTM-MFKUBSTISA-N 0 0 439.898 6.417 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(C)c1 ZINC000006459136 569178428 /nfs/dbraw/zinc/17/84/28/569178428.db2.gz JBHVUTRRISKCBD-UHFFFAOYSA-N 0 0 427.573 6.400 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCCCC2)cc1 ZINC000006924956 569178523 /nfs/dbraw/zinc/17/85/23/569178523.db2.gz FNUZRTUZQWTLEY-FQEVSTJZSA-N 0 0 427.342 5.662 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000006925008 569178559 /nfs/dbraw/zinc/17/85/59/569178559.db2.gz NAYSTQYIMRWPFE-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(COc2ccccc2Br)cc1 ZINC000002090939 569178666 /nfs/dbraw/zinc/17/86/66/569178666.db2.gz PJUCNHNJDLALKG-QFIPXVFZSA-N 0 0 436.349 5.836 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccccc2Br)cc1 ZINC000002090937 569178691 /nfs/dbraw/zinc/17/86/91/569178691.db2.gz PJUCNHNJDLALKG-JOCHJYFZSA-N 0 0 436.349 5.836 50 0 IKAARN C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nnc2ccccn21 ZINC000170638542 569178693 /nfs/dbraw/zinc/17/86/93/569178693.db2.gz DBGGHEAQZVWGHO-ZDUSSCGKSA-N 0 0 427.291 5.319 50 0 IKAARN COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1OC ZINC000002092313 569178864 /nfs/dbraw/zinc/17/88/64/569178864.db2.gz UIIZPLGOAFXQDJ-UHFFFAOYSA-N 0 0 435.476 5.053 50 0 biogenic IKAARN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002093025 569178937 /nfs/dbraw/zinc/17/89/37/569178937.db2.gz TYVQHTFSJGZSQP-HXUWFJFHSA-N 0 0 437.492 5.059 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)CCc4ccccc4)c(C)c3cc2c1C ZINC000002093614 569178951 /nfs/dbraw/zinc/17/89/51/569178951.db2.gz VNXNSRWALLQOBQ-INIZCTEOSA-N 0 0 431.532 5.535 50 0 biogenic IKAARN COc1ccc([C@@H](CCN(Cc2ccc(OC(C)C)cc2)C(=O)c2ccco2)C(C)C)cc1 ZINC000002092002 569178993 /nfs/dbraw/zinc/17/89/93/569178993.db2.gz JZCXIACENTUZDI-SANMLTNESA-N 0 0 449.591 6.548 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(C)c2oc1=O ZINC000002094018 569179082 /nfs/dbraw/zinc/17/90/82/569179082.db2.gz MLVVVIFUHRAJCO-UHFFFAOYSA-N 0 0 449.330 5.791 50 0 biogenic IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000002094019 569179087 /nfs/dbraw/zinc/17/90/87/569179087.db2.gz BGHITBIYBUJPJL-UHFFFAOYSA-N 0 0 439.389 5.496 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)c(Cl)c4)c(C)c3cc2c1C ZINC000002094201 569179093 /nfs/dbraw/zinc/17/90/93/569179093.db2.gz PWIGYYYIYWDEBG-UHFFFAOYSA-N 0 0 427.859 5.828 50 0 biogenic IKAARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2CCCCN(c3ccccc3)C2=O)cc1 ZINC000002097577 569179396 /nfs/dbraw/zinc/17/93/96/569179396.db2.gz LCPKZYWDWZRWST-CLJLJLNGSA-N 0 0 427.544 5.885 50 0 biogenic IKAARN C=Cc1ccc(COc2ccc3c(c2)oc(C)c(-c2ccc(OC)c(OC)c2)c3=O)cc1 ZINC000002098376 569179430 /nfs/dbraw/zinc/17/94/30/569179430.db2.gz DJAQKLXCJFNJQJ-UHFFFAOYSA-N 0 0 428.484 6.008 50 0 biogenic IKAARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCN(c3ccccc3)C2=O)cc1 ZINC000002097574 569179439 /nfs/dbraw/zinc/17/94/39/569179439.db2.gz LCPKZYWDWZRWST-FTJBHMTQSA-N 0 0 427.544 5.885 50 0 biogenic IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000002100554 569179645 /nfs/dbraw/zinc/17/96/45/569179645.db2.gz XUGISPSHIFXEHZ-XAICIJICSA-N 0 0 428.701 7.960 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000002103322 569179952 /nfs/dbraw/zinc/17/99/52/569179952.db2.gz ROSACJBKHNMULA-UHFFFAOYSA-N 0 0 448.902 6.348 50 0 biogenic IKAARN Cc1nnc(-c2ccc(NC(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)cc2)o1 ZINC000170640322 569180231 /nfs/dbraw/zinc/18/02/31/569180231.db2.gz MJMJDYQQBIKREB-UHFFFAOYSA-N 0 0 441.384 6.122 50 0 IKAARN Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)c1 ZINC000001130498 569180495 /nfs/dbraw/zinc/18/04/95/569180495.db2.gz DQUZTKOAGBRTBM-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nnc(SCc2ccc(F)cc2)s1 ZINC000001455434 569180539 /nfs/dbraw/zinc/18/05/39/569180539.db2.gz KZXRWAZHQLLMTH-UHFFFAOYSA-N 0 0 435.571 5.099 50 0 IKAARN Fc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)c1 ZINC000001245851 569180572 /nfs/dbraw/zinc/18/05/72/569180572.db2.gz PJCKZDHZMAYPNT-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc3ccccc32)n1-c1ccc(Cl)cc1 ZINC000002259135 569180662 /nfs/dbraw/zinc/18/06/62/569180662.db2.gz FHKWDYPDRXTRQT-UHFFFAOYSA-N 0 0 428.944 6.485 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc32)cc1 ZINC000002079487 569180676 /nfs/dbraw/zinc/18/06/76/569180676.db2.gz KXGYHGNZEVPTHF-QGZVFWFLSA-N 0 0 429.903 6.292 50 0 IKAARN Clc1cccc(Cl)c1CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000002261148 569180684 /nfs/dbraw/zinc/18/06/84/569180684.db2.gz NSMSUVWLEVAZIF-UHFFFAOYSA-N 0 0 449.453 7.583 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1ccc(Cl)cc1 ZINC000002260306 569180691 /nfs/dbraw/zinc/18/06/91/569180691.db2.gz XGJNRIQEFNJMEB-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN CCn1c(=O)c2c3c(sc2nc1SCc1c(Cl)cccc1Cl)CCCC3 ZINC000002399253 569180773 /nfs/dbraw/zinc/18/07/73/569180773.db2.gz OQZKLTPNRQYCRM-UHFFFAOYSA-N 0 0 425.406 5.956 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002335995 569180786 /nfs/dbraw/zinc/18/07/86/569180786.db2.gz CKQLEPSLOXCGEG-UHFFFAOYSA-N 0 0 441.622 5.211 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000002349498 569180790 /nfs/dbraw/zinc/18/07/90/569180790.db2.gz DLPSMCIJJJQFSP-UHFFFAOYSA-N 0 0 441.622 5.211 50 0 IKAARN CCCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc21 ZINC000002329275 569180792 /nfs/dbraw/zinc/18/07/92/569180792.db2.gz WWHZJOPVUAMHKU-UHFFFAOYSA-N 0 0 446.772 7.055 50 0 IKAARN CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000002393755 569180795 /nfs/dbraw/zinc/18/07/95/569180795.db2.gz NPAMXUFBXMBAQT-UHFFFAOYSA-N 0 0 427.378 5.377 50 0 IKAARN CC[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12)C(=O)c1ccccc1 ZINC000002578214 569180926 /nfs/dbraw/zinc/18/09/26/569180926.db2.gz GCPCGGZKNQTSLR-XMMPIXPASA-N 0 0 443.930 6.682 50 0 IKAARN CCOC(=O)c1c2cc(OC(=O)c3ccccc3Br)ccc2oc1C(C)(C)C ZINC000002107275 569181198 /nfs/dbraw/zinc/18/11/98/569181198.db2.gz XNKXPPDBZYHQEW-UHFFFAOYSA-N 0 0 445.309 5.889 50 0 IKAARN CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Br)cc3)NC(=O)CCN21 ZINC000002111621 569181967 /nfs/dbraw/zinc/18/19/67/569181967.db2.gz MIMHOWBZOWDYHU-ABSORMQESA-N 0 0 425.370 5.039 50 0 biogenic IKAARN Cc1cc(Br)ccc1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000002112881 569182183 /nfs/dbraw/zinc/18/21/83/569182183.db2.gz OYXZHZQBQIUFNE-UHFFFAOYSA-N 0 0 448.316 5.887 50 0 biogenic IKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(Oc3ccccc3)cc1)CO2 ZINC000002114214 569182357 /nfs/dbraw/zinc/18/23/57/569182357.db2.gz DTKVHBAHKBCJAG-UHFFFAOYSA-N 0 0 425.484 5.739 50 0 biogenic IKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Oc2ccccc2)cc1)CO3 ZINC000002115571 569182420 /nfs/dbraw/zinc/18/24/20/569182420.db2.gz BIGXGHMXMIULNK-UHFFFAOYSA-N 0 0 427.500 6.203 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(C)c(Cl)c3)CO2)cc1 ZINC000002117189 569182552 /nfs/dbraw/zinc/18/25/52/569182552.db2.gz MCGSFGHGTOLJJV-UHFFFAOYSA-N 0 0 433.891 5.787 50 0 biogenic IKAARN O=C(NC1CCCCC1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Br)c2)n1 ZINC000002117067 569182591 /nfs/dbraw/zinc/18/25/91/569182591.db2.gz LFLFKJVYAQNTAI-UHFFFAOYSA-N 0 0 448.364 6.208 50 0 biogenic IKAARN CCCCOC(=O)c1ccc(N2COc3ccc4c(CCCC)cc(=O)oc4c3C2)cc1 ZINC000002118949 569182647 /nfs/dbraw/zinc/18/26/47/569182647.db2.gz KQLUXIZDUUWEJJ-UHFFFAOYSA-N 0 0 435.520 5.449 50 0 biogenic IKAARN Cc1cccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c1C ZINC000002118081 569182662 /nfs/dbraw/zinc/18/26/62/569182662.db2.gz WBCFAWIYFZNYOJ-UHFFFAOYSA-N 0 0 425.528 5.974 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(F)c(Cl)c3)CO2)cc1 ZINC000002118805 569182688 /nfs/dbraw/zinc/18/26/88/569182688.db2.gz ARLBGEZLSBDNQW-UHFFFAOYSA-N 0 0 437.854 5.618 50 0 biogenic IKAARN Cc1c(OCc2ccc(Cl)cc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002119725 569182831 /nfs/dbraw/zinc/18/28/31/569182831.db2.gz DQIOSCJMUZMVMW-UHFFFAOYSA-N 0 0 444.870 6.107 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3c(C)cc(C)cc3C)CO2)cc1 ZINC000002119650 569182844 /nfs/dbraw/zinc/18/28/44/569182844.db2.gz BSWGCTPNPYSONY-UHFFFAOYSA-N 0 0 427.500 5.750 50 0 biogenic IKAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@]2(C)C1=O ZINC000252426628 569183268 /nfs/dbraw/zinc/18/32/68/569183268.db2.gz HBEHUDJLUBTNBD-DOCBIHDTSA-N 0 0 441.958 6.282 50 0 IKAARN COc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccc(F)cc5)ccc43)c(=O)oc21 ZINC000002121074 569183433 /nfs/dbraw/zinc/18/34/33/569183433.db2.gz PHMAQZOFJXLYCJ-UHFFFAOYSA-N 0 0 444.414 5.293 50 0 biogenic IKAARN O=C(NC[C@@H](O)c1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1 ZINC000002120973 569183451 /nfs/dbraw/zinc/18/34/51/569183451.db2.gz ULLQTRHOSBADBL-HSZRJFAPSA-N 0 0 441.918 5.500 50 0 biogenic IKAARN CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000254746228 569183466 /nfs/dbraw/zinc/18/34/66/569183466.db2.gz XRPYRCCVSZYAQT-XLAAAGRJSA-N 0 0 428.657 6.893 50 0 IKAARN Cc1cc(C)c(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c(C)c1 ZINC000002122747 569183548 /nfs/dbraw/zinc/18/35/48/569183548.db2.gz WGIHHRGGQRGSNB-UHFFFAOYSA-N 0 0 439.555 6.282 50 0 biogenic IKAARN Cc1cccc(C(C)C)c1N1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000002122515 569183563 /nfs/dbraw/zinc/18/35/63/569183563.db2.gz OETHTOMEGJVIRN-UHFFFAOYSA-N 0 0 425.528 6.557 50 0 biogenic IKAARN Cc1c(OCc2ccccc2F)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002123105 569183816 /nfs/dbraw/zinc/18/38/16/569183816.db2.gz XHEVVIMSOOISOU-UHFFFAOYSA-N 0 0 428.415 5.593 50 0 biogenic IKAARN Cn1c(CSc2nc3ccccc3s2)nn(CN2CC[C@@H]3CCCC[C@H]3C2)c1=S ZINC000252445384 569183899 /nfs/dbraw/zinc/18/38/99/569183899.db2.gz KEKJUJKNCITDAD-HOTGVXAUSA-N 0 0 445.683 5.323 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccccc1OC)oc(=O)cc2-c1ccccc1 ZINC000002125566 569184030 /nfs/dbraw/zinc/18/40/30/569184030.db2.gz NRMQJZCEKUDSCN-UHFFFAOYSA-N 0 0 442.555 7.170 50 0 biogenic IKAARN O=C(NCCc1ccc(Cl)cc1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000002125518 569184058 /nfs/dbraw/zinc/18/40/58/569184058.db2.gz HWKVFFGRFOYBHO-UHFFFAOYSA-N 0 0 443.909 6.148 50 0 biogenic IKAARN Clc1ccccc1-c1nc(N=NCc2ccco2)nc2ccc(Br)cc21 ZINC000252458429 569184436 /nfs/dbraw/zinc/18/44/36/569184436.db2.gz HHMVFSUNQLBKPY-UHFFFAOYSA-N 0 0 427.689 5.752 50 0 IKAARN O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208006709 569184626 /nfs/dbraw/zinc/18/46/26/569184626.db2.gz QAUBJFNHHMFHAJ-UHFFFAOYSA-N 0 0 440.525 5.030 50 0 IKAARN CCCCCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000002130500 569184941 /nfs/dbraw/zinc/18/49/41/569184941.db2.gz PTBXNQPKGYPCIZ-UHFFFAOYSA-N 0 0 431.536 5.710 50 0 biogenic IKAARN CCCC[C@H](CC)C(=O)N1CCCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037377007 569185625 /nfs/dbraw/zinc/18/56/25/569185625.db2.gz VUWNNIXZXRXZCV-KRWDZBQOSA-N 0 0 448.970 5.317 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(CSc3ccccc3)n2-c2ccccc2)cc1 ZINC000002507701 569185734 /nfs/dbraw/zinc/18/57/34/569185734.db2.gz CCBMNNDTBPVOOE-UHFFFAOYSA-N 0 0 446.601 5.599 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000002544560 569185852 /nfs/dbraw/zinc/18/58/52/569185852.db2.gz ZKHBOHXCLJSYQZ-UHFFFAOYSA-N 0 0 444.556 5.561 50 0 IKAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002544940 569185863 /nfs/dbraw/zinc/18/58/63/569185863.db2.gz WXKAMHCTKMWSCZ-UHFFFAOYSA-N 0 0 440.286 5.134 50 0 IKAARN COc1ccc(NC(=O)CSc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)cc1 ZINC000002544805 569185918 /nfs/dbraw/zinc/18/59/18/569185918.db2.gz REIDQYYCAMYGDE-UHFFFAOYSA-N 0 0 441.553 5.374 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000252479447 569186131 /nfs/dbraw/zinc/18/61/31/569186131.db2.gz BFIWXCINVKVDRY-AUBMYDRESA-N 0 0 444.575 5.386 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H](C)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000252479448 569186142 /nfs/dbraw/zinc/18/61/42/569186142.db2.gz BFIWXCINVKVDRY-CVBYOTHMSA-N 0 0 444.575 5.386 50 0 IKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(=O)c2ccccc2o1 ZINC000208011323 569186156 /nfs/dbraw/zinc/18/61/56/569186156.db2.gz DUHRZUIUOPRIFH-UHFFFAOYSA-N 0 0 442.471 5.975 50 0 IKAARN COc1cc2c(cc1OC)[C@@H]1OC(c3ccccc3)(c3ccccc3)c3ccccc3N1C2=O ZINC000252485585 569186592 /nfs/dbraw/zinc/18/65/92/569186592.db2.gz GZLSOXONZXVVJC-NDEPHWFRSA-N 0 0 449.506 5.685 50 0 IKAARN CCc1cc2c(cc1OCc1cccc(Cl)c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000002140691 569186617 /nfs/dbraw/zinc/18/66/17/569186617.db2.gz SXHHCXKBUNYPGK-UHFFFAOYSA-N 0 0 448.902 6.026 50 0 biogenic IKAARN CCc1cc2c(cc1OCc1ccc(C)cc1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000002140610 569186622 /nfs/dbraw/zinc/18/66/22/569186622.db2.gz PRYVGIXNCIXPSX-UHFFFAOYSA-N 0 0 442.511 6.071 50 0 biogenic IKAARN O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000002145517 569186896 /nfs/dbraw/zinc/18/68/96/569186896.db2.gz DOCWRDCHTGLTCR-DEOSSOPVSA-N 0 0 447.538 5.256 50 0 biogenic IKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(OC(F)(F)F)cc4)c(C)c3cc12 ZINC000002147143 569186983 /nfs/dbraw/zinc/18/69/83/569186983.db2.gz FTWQUHQAAGAOJA-UHFFFAOYSA-N 0 0 445.393 5.626 50 0 biogenic IKAARN COc1ccc2c(ccn2CCC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000252490673 569186992 /nfs/dbraw/zinc/18/69/92/569186992.db2.gz KYVRUPYLQROBNI-XMMPIXPASA-N 0 0 438.531 5.017 50 0 IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)c(C)c2oc1=O ZINC000002148012 569187062 /nfs/dbraw/zinc/18/70/62/569187062.db2.gz KGIPHIXSOWJISH-UHFFFAOYSA-N 0 0 448.437 5.503 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12 ZINC000002150360 569187285 /nfs/dbraw/zinc/18/72/85/569187285.db2.gz IYVUKTLHBLIAEA-UHFFFAOYSA-N 0 0 429.310 5.468 50 0 biogenic IKAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCc2ccccc2Cl)cc1C ZINC000002152299 569187453 /nfs/dbraw/zinc/18/74/53/569187453.db2.gz XIKKHUVDWPUDGO-PXLXIMEGSA-N 0 0 438.980 5.148 50 0 IKAARN Brc1ccc(C2=Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 ZINC000252491434 569187587 /nfs/dbraw/zinc/18/75/87/569187587.db2.gz LMLLXFANVCWWHQ-UHFFFAOYSA-N 0 0 430.301 6.443 50 0 IKAARN Oc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000252495784 569187978 /nfs/dbraw/zinc/18/79/78/569187978.db2.gz PAANCYJCMCBQRO-MUUNZHRXSA-N 0 0 445.522 6.215 50 0 IKAARN COc1cc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc2c1OCO2 ZINC000252500985 569188221 /nfs/dbraw/zinc/18/82/21/569188221.db2.gz UASRGSVFIUAEGZ-UHFFFAOYSA-N 0 0 434.495 5.397 50 0 IKAARN CCc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000013134148 569188722 /nfs/dbraw/zinc/18/87/22/569188722.db2.gz NAODAVLDYJJLMO-UHFFFAOYSA-N 0 0 438.527 5.877 50 0 IKAARN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1I ZINC000027279653 569189222 /nfs/dbraw/zinc/18/92/22/569189222.db2.gz OIODPSDXDZGUCE-UHFFFAOYSA-N 0 0 447.247 5.262 50 0 IKAARN C/C(=C/c1ccccc1)[C@@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000208305984 569189460 /nfs/dbraw/zinc/18/94/60/569189460.db2.gz XUQMYZBMXKTZAA-DFQIFBKLSA-N 0 0 444.962 5.809 50 0 IKAARN C/C(=C/c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)c(C)c1 ZINC000208306947 569189472 /nfs/dbraw/zinc/18/94/72/569189472.db2.gz NTQQJQGKHYHDMR-FCFRYEAASA-N 0 0 438.571 5.772 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000252536735 569189869 /nfs/dbraw/zinc/18/98/69/569189869.db2.gz JKHBPJHVYOHXOT-FQEVSTJZSA-N 0 0 444.535 6.070 50 0 IKAARN C=Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)cc1 ZINC000252536206 569189886 /nfs/dbraw/zinc/18/98/86/569189886.db2.gz HWFGTQSTOVJRKJ-UHFFFAOYSA-N 0 0 435.552 6.316 50 0 IKAARN Cc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCc2ccccc2C)cc1 ZINC000252537011 569190043 /nfs/dbraw/zinc/19/00/43/569190043.db2.gz KDPRDSMFWBZXIQ-UHFFFAOYSA-N 0 0 437.568 6.290 50 0 IKAARN O=C(c1c2ccccn2c(C(=O)c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1 ZINC000002171570 569190293 /nfs/dbraw/zinc/19/02/93/569190293.db2.gz DSMWEPMEGJTIAN-UHFFFAOYSA-N 0 0 435.910 6.722 50 0 IKAARN Cc1cc(C)nc(SCc2c(C)c(C)c(CSc3nc(C)cc(C)n3)c(C)c2C)n1 ZINC000002181371 569190386 /nfs/dbraw/zinc/19/03/86/569190386.db2.gz PBFRAUUBQQQISF-UHFFFAOYSA-N 0 0 438.666 6.319 50 0 IKAARN CC1(C)CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2)S1 ZINC000002192048 569190477 /nfs/dbraw/zinc/19/04/77/569190477.db2.gz PBBJEZNVNUUPHH-UHFFFAOYSA-N 0 0 443.878 6.159 50 0 IKAARN C[C@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccc(OC(F)(F)F)cc2)S1 ZINC000002192042 569190507 /nfs/dbraw/zinc/19/05/07/569190507.db2.gz GJQDMLUSGIVMRQ-NSHDSACASA-N 0 0 429.851 5.768 50 0 IKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C)C3)cc1 ZINC000002185826 569190514 /nfs/dbraw/zinc/19/05/14/569190514.db2.gz KAVDOYAAMZVFRE-OAHLLOKOSA-N 0 0 438.980 6.339 50 0 IKAARN C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000002192032 569190516 /nfs/dbraw/zinc/19/05/16/569190516.db2.gz UMRVECAFIJRRQV-NSHDSACASA-N 0 0 446.306 6.038 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000002188697 569190518 /nfs/dbraw/zinc/19/05/18/569190518.db2.gz VUXKXFAVGDLRMW-KGENOOAVSA-N 0 0 433.891 5.662 50 0 IKAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCc1c[nH]c2ccccc12 ZINC000252572200 569191143 /nfs/dbraw/zinc/19/11/43/569191143.db2.gz YYHPIYCCIVMYJD-UHFFFAOYSA-N 0 0 434.952 5.749 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3Cl)c2NC(=O)c2ccccc2C)cc1 ZINC000002196366 569191330 /nfs/dbraw/zinc/19/13/30/569191330.db2.gz UGIHAPLSDBIPGV-UHFFFAOYSA-N 0 0 443.934 5.730 50 0 IKAARN CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Cl ZINC000027348228 569191395 /nfs/dbraw/zinc/19/13/95/569191395.db2.gz YOYXVXHAYFSKBT-IBGZPJMESA-N 0 0 432.351 5.000 50 0 IKAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O ZINC000002198997 569191444 /nfs/dbraw/zinc/19/14/44/569191444.db2.gz BWFKPPYLXQONTJ-QFIPXVFZSA-N 0 0 445.902 5.514 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C(C)(C)C)cc2C)cc1 ZINC000002197981 569191452 /nfs/dbraw/zinc/19/14/52/569191452.db2.gz DZTHRRFBQHVPIN-UHFFFAOYSA-N 0 0 442.559 5.757 50 0 IKAARN CCCC(=O)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccc(F)cc1)n3CCCC2 ZINC000002199313 569191510 /nfs/dbraw/zinc/19/15/10/569191510.db2.gz MYXGLNJTHQOMRB-UHFFFAOYSA-N 0 0 430.523 6.542 50 0 IKAARN Cn1cc([C@@H](CC(=O)NCc2ccccc2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000037381666 569191863 /nfs/dbraw/zinc/19/18/63/569191863.db2.gz VIXIUYOJTGYJTG-QFIPXVFZSA-N 0 0 436.477 6.036 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N[C@@H](C)CC)CCc2ccccc2)n1 ZINC000037382567 569191876 /nfs/dbraw/zinc/19/18/76/569191876.db2.gz LUEIGXPAKYKXIL-SFHVURJKSA-N 0 0 439.003 5.200 50 0 IKAARN C[C@H]1CCCN(C(=O)/C=C2/Sc3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000037381820 569191904 /nfs/dbraw/zinc/19/19/04/569191904.db2.gz PKANWOICQGADRF-REIAIGDLSA-N 0 0 426.969 5.121 50 0 IKAARN O=C(c1ccccc1)N(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccco1 ZINC000037381794 569191919 /nfs/dbraw/zinc/19/19/19/569191919.db2.gz PQMZAFRMBZKCFA-UHFFFAOYSA-N 0 0 441.409 5.234 50 0 IKAARN CC(C)CN(CCC(=O)Nc1ccc(F)cc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037382596 569191934 /nfs/dbraw/zinc/19/19/34/569191934.db2.gz IXKQMQOBJYTZGN-UHFFFAOYSA-N 0 0 432.499 5.520 50 0 IKAARN CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000037380950 569191993 /nfs/dbraw/zinc/19/19/93/569191993.db2.gz NBBQITNRPCEBPC-SFHVURJKSA-N 0 0 431.458 5.592 50 0 IKAARN CC[C@H]1CCCCN1C(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000037382887 569192004 /nfs/dbraw/zinc/19/20/04/569192004.db2.gz BJXIJKRKFCYFKV-LUJYGJGBSA-N 0 0 440.996 5.654 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3c(N3CCN(C(=O)C4CCCC4)CC3)n2)cc1 ZINC000037383262 569192029 /nfs/dbraw/zinc/19/20/29/569192029.db2.gz WQMCRSPBMLNQKI-UHFFFAOYSA-N 0 0 434.971 5.097 50 0 IKAARN CC[C@H](C)NC(=O)CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383118 569192042 /nfs/dbraw/zinc/19/20/42/569192042.db2.gz ILPFWRAOLIKWOA-FQEVSTJZSA-N 0 0 442.563 5.244 50 0 IKAARN C[C@H](NC(=O)CCN(c1nc(-c2cccs2)nc2ccccc21)C1CC1)c1ccccc1 ZINC000037384530 569192071 /nfs/dbraw/zinc/19/20/71/569192071.db2.gz JOPQBWHKAHNANP-SFHVURJKSA-N 0 0 442.588 5.595 50 0 IKAARN CC[C@@H](C)NC(=O)CCN(Cc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000037384547 569192099 /nfs/dbraw/zinc/19/20/99/569192099.db2.gz KAIUFENQCKGCOZ-QGZVFWFLSA-N 0 0 436.987 5.472 50 0 IKAARN CC(C)COc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037384817 569192230 /nfs/dbraw/zinc/19/22/30/569192230.db2.gz JAMTUPINDMVTBH-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccs3)c2)c1 ZINC000037384983 569192278 /nfs/dbraw/zinc/19/22/78/569192278.db2.gz BABNEPQVSXRHMC-UHFFFAOYSA-N 0 0 434.521 5.044 50 0 IKAARN C[C@@H](NC(=O)CCN(c1nc(-c2ccco2)nc2ccccc21)C1CC1)c1ccccc1 ZINC000037384764 569192280 /nfs/dbraw/zinc/19/22/80/569192280.db2.gz DVWIUICWRIAQCV-GOSISDBHSA-N 0 0 426.520 5.126 50 0 IKAARN C[C@H](NC(=O)CCN(c1nc(-c2ccco2)nc2ccccc21)C1CC1)c1ccccc1 ZINC000037384763 569192294 /nfs/dbraw/zinc/19/22/94/569192294.db2.gz DVWIUICWRIAQCV-SFHVURJKSA-N 0 0 426.520 5.126 50 0 IKAARN CCC(=O)Nc1cccc(-n2nc(OCc3ccc(F)cc3)nc2-c2cccc(OC)c2)c1 ZINC000037385188 569192367 /nfs/dbraw/zinc/19/23/67/569192367.db2.gz AXUQKBXMUWOPLR-UHFFFAOYSA-N 0 0 446.482 5.010 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037385164 569192382 /nfs/dbraw/zinc/19/23/82/569192382.db2.gz RAKJMZPBRNZTAY-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037385369 569192412 /nfs/dbraw/zinc/19/24/12/569192412.db2.gz YOQUNLAIBLCKTL-UHFFFAOYSA-N 0 0 448.473 5.500 50 0 IKAARN COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1O ZINC000002200857 569192484 /nfs/dbraw/zinc/19/24/84/569192484.db2.gz YGUYBULGZDZXLX-UHFFFAOYSA-N 0 0 447.922 5.648 50 0 IKAARN O=C(CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NCc1ccco1 ZINC000037396956 569192947 /nfs/dbraw/zinc/19/29/47/569192947.db2.gz QBWKGLPETQBDNU-UHFFFAOYSA-N 0 0 428.319 5.233 50 0 IKAARN C[C@@H](C(=O)NCc1ccco1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037396910 569192963 /nfs/dbraw/zinc/19/29/63/569192963.db2.gz USZJYZBVRZJVDY-AWEZNQCLSA-N 0 0 428.319 5.404 50 0 IKAARN Cc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)n(Cc2ccc(F)c(F)c2)c1C ZINC000037397030 569193066 /nfs/dbraw/zinc/19/30/66/569193066.db2.gz VBVWDZQRRNTYPG-UHFFFAOYSA-N 0 0 436.424 5.689 50 0 IKAARN CCC[C@@H](C(=O)N1CCOCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037397129 569193076 /nfs/dbraw/zinc/19/30/76/569193076.db2.gz AMQJONHQXNOKDZ-NRFANRHFSA-N 0 0 446.378 5.134 50 0 IKAARN CC(C)Oc1nc(-c2cccc(C(F)(F)F)c2)n(-c2cccc(NC(=O)C3CCC3)c2)n1 ZINC000037397077 569193085 /nfs/dbraw/zinc/19/30/85/569193085.db2.gz LJSCVSDHCDZKPU-UHFFFAOYSA-N 0 0 444.457 5.479 50 0 IKAARN Fc1nc(F)c(Cl)c(Nc2ccccc2Nc2c(F)c(F)nc(F)c2Cl)c1F ZINC000002205665 569193087 /nfs/dbraw/zinc/19/30/87/569193087.db2.gz PHCAWWUZNCDOTA-UHFFFAOYSA-N 0 0 439.146 6.105 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cn1c2ccccc2nc1Cc1ccc(Cl)c(Cl)c1 ZINC000037397282 569193155 /nfs/dbraw/zinc/19/31/55/569193155.db2.gz SXNDRJSETXMWIY-UHFFFAOYSA-N 0 0 438.358 5.593 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C)C(=O)NCc3ccc(F)cc3)c2cc1C ZINC000037397142 569193172 /nfs/dbraw/zinc/19/31/72/569193172.db2.gz WUVKJZROVMVGPD-GOSISDBHSA-N 0 0 433.502 5.400 50 0 IKAARN CCC[C@@H](C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397352 569193308 /nfs/dbraw/zinc/19/33/08/569193308.db2.gz IEYKFNZTZDEZJI-NRFANRHFSA-N 0 0 446.378 5.134 50 0 IKAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2cc1C ZINC000037397378 569193329 /nfs/dbraw/zinc/19/33/29/569193329.db2.gz LHWHKSLLVOZOFZ-KRWDZBQOSA-N 0 0 445.494 5.311 50 0 IKAARN Cc1nc(N)nc(-c2ccc(OCc3c(F)cccc3Cl)cc2O)c1-c1ccccc1 ZINC000002207026 569193500 /nfs/dbraw/zinc/19/35/00/569193500.db2.gz YTQQFAQJHXYOKS-UHFFFAOYSA-N 0 0 435.886 5.778 50 0 IKAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002207607 569193603 /nfs/dbraw/zinc/19/36/03/569193603.db2.gz DZPBDMXGLOBEDH-SUYBVONHSA-N 0 0 436.536 6.592 50 0 IKAARN Cc1nnc(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1-c1ccc(C)cc1 ZINC000037397926 569193872 /nfs/dbraw/zinc/19/38/72/569193872.db2.gz YWWIRQWTOCIMCY-UHFFFAOYSA-N 0 0 446.551 5.246 50 0 IKAARN CC[C@H](C(=O)NCc1ccc(F)cc1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037398581 569193897 /nfs/dbraw/zinc/19/38/97/569193897.db2.gz CFPDONHSRRLTGW-JOCHJYFZSA-N 0 0 435.930 5.687 50 0 IKAARN Cc1cc2nc(Cc3ccccc3Cl)n(CCC(=O)N(C)Cc3ccccc3)c2cc1C ZINC000037397930 569193906 /nfs/dbraw/zinc/19/39/06/569193906.db2.gz OLGUGYDIFRWIJN-UHFFFAOYSA-N 0 0 445.994 5.946 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@@H](c1ccccc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398489 569193961 /nfs/dbraw/zinc/19/39/61/569193961.db2.gz PTJQRMUMNJYWEG-MUUNZHRXSA-N 0 0 449.529 5.672 50 0 IKAARN CSc1nc2sc3c(c2c2nnc(SCc4cccc(F)c4)n21)CC(C)(C)OC3 ZINC000002210019 569194196 /nfs/dbraw/zinc/19/41/96/569194196.db2.gz FHNVCPKLUBKYIZ-UHFFFAOYSA-N 0 0 446.598 5.344 50 0 IKAARN Cc1ccc2nc(-c3cccc(C)c3OS(=O)(=O)c3cccc(C(F)(F)F)c3)oc2c1 ZINC000037426655 569195821 /nfs/dbraw/zinc/19/58/21/569195821.db2.gz ZBRJXPLEAMZQRA-UHFFFAOYSA-N 0 0 447.434 5.898 50 0 IKAARN CC(C)(C)CC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1Cl)C(C)(C)C ZINC000037427959 569195875 /nfs/dbraw/zinc/19/58/75/569195875.db2.gz WZYJCEOHPXSDDG-QHCPKHFHSA-N 0 0 444.019 5.136 50 0 IKAARN CC(C)(C)CC(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)C(C)(C)C ZINC000037427960 569195923 /nfs/dbraw/zinc/19/59/23/569195923.db2.gz WZYJCEOHPXSDDG-HSZRJFAPSA-N 0 0 444.019 5.136 50 0 IKAARN Cc1ccc2oc(-c3cc(C)ccc3OS(=O)(=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000037427463 569195933 /nfs/dbraw/zinc/19/59/33/569195933.db2.gz BTAUEMUZOMOYKG-UHFFFAOYSA-N 0 0 447.434 5.898 50 0 IKAARN CC[C@H](C(=O)NCc1ccncc1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037438780 569196211 /nfs/dbraw/zinc/19/62/11/569196211.db2.gz SJHIIIKSWBLYCP-HXUWFJFHSA-N 0 0 438.597 5.077 50 0 IKAARN COc1ccc(-c2csc(N(c3ccccc3Cl)[C@@H](C)C(=O)N3CCCC3)n2)cc1 ZINC000037439880 569196512 /nfs/dbraw/zinc/19/65/12/569196512.db2.gz UKKLFCZYAOKEFL-INIZCTEOSA-N 0 0 441.984 5.621 50 0 IKAARN O=C(C1CCCC1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439633 569196514 /nfs/dbraw/zinc/19/65/14/569196514.db2.gz FQVQOPONFSJZTG-IBGZPJMESA-N 0 0 449.353 5.845 50 0 IKAARN O=C(c1cccs1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440033 569196526 /nfs/dbraw/zinc/19/65/26/569196526.db2.gz CSCALXNADWJBRE-LJQANCHMSA-N 0 0 428.916 5.376 50 0 IKAARN CCC(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440157 569196553 /nfs/dbraw/zinc/19/65/53/569196553.db2.gz ULLUCEDOMFUYMO-HNNXBMFYSA-N 0 0 425.743 5.579 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440146 569196556 /nfs/dbraw/zinc/19/65/56/569196556.db2.gz RKMGFYIPWMIOMJ-SFHVURJKSA-N 0 0 449.353 5.845 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440531 569196593 /nfs/dbraw/zinc/19/65/93/569196593.db2.gz YCCLHVNGYCZNAC-FQEVSTJZSA-N 0 0 440.877 5.454 50 0 IKAARN O=C(c1ccccc1F)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440487 569196614 /nfs/dbraw/zinc/19/66/14/569196614.db2.gz RECMSXILKXHQFU-IBGZPJMESA-N 0 0 440.877 5.454 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440542 569196625 /nfs/dbraw/zinc/19/66/25/569196625.db2.gz WYZHDUBAFWERSY-SFHVURJKSA-N 0 0 432.898 5.330 50 0 IKAARN O=C(c1cccs1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440525 569196645 /nfs/dbraw/zinc/19/66/45/569196645.db2.gz DCHSXLVHJZZIOW-INIZCTEOSA-N 0 0 428.916 5.376 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440724 569196694 /nfs/dbraw/zinc/19/66/94/569196694.db2.gz 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COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037441343 569196849 /nfs/dbraw/zinc/19/68/49/569196849.db2.gz UZAIYAQGEPXRKU-OAQYLSRUSA-N 0 0 433.483 5.062 50 0 IKAARN O=C(C1CCCC1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441590 569196868 /nfs/dbraw/zinc/19/68/68/569196868.db2.gz XTVPZCAENQFPHF-OAQYLSRUSA-N 0 0 448.460 5.557 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441666 569196877 /nfs/dbraw/zinc/19/68/77/569196877.db2.gz DLKLYPGCPKHTMI-SFHVURJKSA-N 0 0 435.902 5.122 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037442038 569196903 /nfs/dbraw/zinc/19/69/03/569196903.db2.gz XENNHWQTLDZZOT-MRXNPFEDSA-N 0 0 434.367 5.497 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1Cl)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441929 569196964 /nfs/dbraw/zinc/19/69/64/569196964.db2.gz XVENGSJCVFOLFG-OAQYLSRUSA-N 0 0 440.877 5.454 50 0 IKAARN CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037441732 569196978 /nfs/dbraw/zinc/19/69/78/569196978.db2.gz YZHBUFILDYNHDU-MRXNPFEDSA-N 0 0 439.865 5.084 50 0 IKAARN O=C(c1cccs1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441918 569196986 /nfs/dbraw/zinc/19/69/86/569196986.db2.gz LHLBSLAPQWZLHC-LJQANCHMSA-N 0 0 428.916 5.376 50 0 IKAARN CC(C)(C)NC(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037442228 569196998 /nfs/dbraw/zinc/19/69/98/569196998.db2.gz GMPVRCOIFAFTME-SFHVURJKSA-N 0 0 434.367 5.497 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037442344 569197037 /nfs/dbraw/zinc/19/70/37/569197037.db2.gz AKNGODNUUCCFFZ-OAQYLSRUSA-N 0 0 433.483 5.062 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000037442959 569197079 /nfs/dbraw/zinc/19/70/79/569197079.db2.gz HXTJGNSGHVSLEA-GXOBATCFSA-N 0 0 449.620 5.371 50 0 IKAARN Fc1cccc(F)c1CSc1nc(Oc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000037510865 569198039 /nfs/dbraw/zinc/19/80/39/569198039.db2.gz 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/nfs/dbraw/zinc/19/95/67/569199567.db2.gz MKECNEADUQQKQN-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN COc1cccc(C(=O)Nc2cccc(N3CCCN(Cc4ccccc4C)C3=O)c2)c1 ZINC000037543924 569199592 /nfs/dbraw/zinc/19/95/92/569199592.db2.gz WZHBCGNMWARYLB-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000037543579 569199601 /nfs/dbraw/zinc/19/96/01/569199601.db2.gz JASNXZKYOCXVSN-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1cccc(F)c1 ZINC000037544649 569199616 /nfs/dbraw/zinc/19/96/16/569199616.db2.gz QXMHLCVLIYWDON-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN O=C(Cc1cccs1)Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000037544553 569199629 /nfs/dbraw/zinc/19/96/29/569199629.db2.gz DSMKIKSXAMJMJE-UHFFFAOYSA-N 0 0 441.503 5.040 50 0 IKAARN CC(C)(C)CC(=O)Nc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000037544121 569199643 /nfs/dbraw/zinc/19/96/43/569199643.db2.gz ZIDCZWHJUCHVRL-UHFFFAOYSA-N 0 0 447.501 5.912 50 0 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Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037547259 569200144 /nfs/dbraw/zinc/20/01/44/569200144.db2.gz IVZNVQHLEVZSMJ-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)Nc1ccc(F)cc1 ZINC000037546892 569200167 /nfs/dbraw/zinc/20/01/67/569200167.db2.gz JLQVAIKJYBNINF-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccccc3)c2Oc2cccc(C)c2)cc1 ZINC000037546881 569200169 /nfs/dbraw/zinc/20/01/69/569200169.db2.gz DAAVLXDPLRTNQM-UHFFFAOYSA-N 0 0 441.531 5.861 50 0 IKAARN Cn1nc(-c2ccccc2)c(CCC(=O)Nc2ccccc2)c1Oc1ccc(F)cc1F ZINC000037546785 569200192 /nfs/dbraw/zinc/20/01/92/569200192.db2.gz SAQQVEGJHDZSSO-UHFFFAOYSA-N 0 0 433.458 5.729 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccccc3)c2Oc2cccc(F)c2)cc1 ZINC000037546811 569200197 /nfs/dbraw/zinc/20/01/97/569200197.db2.gz NAOAKDUPBGONBL-UHFFFAOYSA-N 0 0 445.494 5.692 50 0 IKAARN COc1ccc(NC(=O)[C@H]2CC[C@H](c3cccc(C)c3)N(C(=O)c3cccc(F)c3)C2)cc1 ZINC000037546564 569200219 /nfs/dbraw/zinc/20/02/19/569200219.db2.gz KWQBQXDWALYIGY-SQJMNOBHSA-N 0 0 446.522 5.375 50 0 IKAARN COc1cc(-c2noc(COCc3ccccc3)n2)ccc1OCc1ccc(F)c(F)c1 ZINC000037553319 569200276 /nfs/dbraw/zinc/20/02/76/569200276.db2.gz CNXWUQBQEITNPT-UHFFFAOYSA-N 0 0 438.430 5.319 50 0 IKAARN CC[C@@H](C)NC(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1 ZINC000037555269 569200480 /nfs/dbraw/zinc/20/04/80/569200480.db2.gz NSAXUSOGJOXDKI-OAQYLSRUSA-N 0 0 444.575 5.308 50 0 IKAARN CC(C)c1ccc(CNc2ccc(CC(=O)NCc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000037554880 569200494 /nfs/dbraw/zinc/20/04/94/569200494.db2.gz NJBGEGUUNGDOLA-UHFFFAOYSA-N 0 0 440.509 6.300 50 0 IKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCc2ccccc2)cc1 ZINC000037556380 569200576 /nfs/dbraw/zinc/20/05/76/569200576.db2.gz HQOWJGFFLABFNL-UHFFFAOYSA-N 0 0 446.566 5.306 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)N1CCCC1 ZINC000037556114 569200592 /nfs/dbraw/zinc/20/05/92/569200592.db2.gz RNVYCFZMAOFFAC-UHFFFAOYSA-N 0 0 432.951 5.352 50 0 IKAARN Cc1cccc(CNC(=O)Cc2ccc(N(Cc3ccccc3C)C(=O)CC(C)C)cc2)c1 ZINC000037556983 569200695 /nfs/dbraw/zinc/20/06/95/569200695.db2.gz AQCVSQIKKSFUHB-UHFFFAOYSA-N 0 0 442.603 5.742 50 0 IKAARN CCN(CC)C(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1 ZINC000037557148 569200699 /nfs/dbraw/zinc/20/06/99/569200699.db2.gz ISUSHARVRJXAGH-UHFFFAOYSA-N 0 0 444.575 5.262 50 0 IKAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)N(C)Cc3ccco3)cc2)c1 ZINC000037557521 569200715 /nfs/dbraw/zinc/20/07/15/569200715.db2.gz HGPFEMYPHYYOIG-UHFFFAOYSA-N 0 0 444.575 5.513 50 0 IKAARN CSc1nc2sc3c(c2c(SCc2ccc4ccccc4c2)n1)CC(C)(C)OC3 ZINC000002210603 569201113 /nfs/dbraw/zinc/20/11/13/569201113.db2.gz XPEGGWLVJXARAB-UHFFFAOYSA-N 0 0 438.643 6.710 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3c(F)cccc3F)CC2)cc1 ZINC000037560774 569201123 /nfs/dbraw/zinc/20/11/23/569201123.db2.gz LWMNZRMHIHWZLP-UHFFFAOYSA-N 0 0 436.502 5.285 50 0 IKAARN FC(F)(F)Oc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 ZINC000002211150 569201220 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COC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037575762 569201527 /nfs/dbraw/zinc/20/15/27/569201527.db2.gz OCFZUDIQOXNMIB-GOSISDBHSA-N 0 0 437.845 5.322 50 0 IKAARN COc1ccc(/C=C\C(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(C)=O)c3ccccc32)cc1 ZINC000252620836 569201571 /nfs/dbraw/zinc/20/15/71/569201571.db2.gz MNAKXFMOSHIJJW-LLXXVTAFSA-N 0 0 440.543 5.628 50 0 IKAARN COc1ccc2cc(C(N)=O)c(=Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)oc2c1 ZINC000252623006 569201931 /nfs/dbraw/zinc/20/19/31/569201931.db2.gz OHRYAJBZXQASQX-UHFFFAOYSA-N 0 0 441.512 5.358 50 0 IKAARN O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000037587925 569202078 /nfs/dbraw/zinc/20/20/78/569202078.db2.gz UYPZYYAYLMGZGO-UHFFFAOYSA-N 0 0 442.456 5.554 50 0 IKAARN COc1ccc(NC(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CCCC3)c2)cc1 ZINC000037600543 569202273 /nfs/dbraw/zinc/20/22/73/569202273.db2.gz OHGYJLCXFLCZEL-UHFFFAOYSA-N 0 0 442.559 5.600 50 0 IKAARN Cc1ccc(CN(C(=O)/C=C/c2ccccc2)c2cccc(CC(=O)NC(C)C)c2)cc1 ZINC000037600973 569202286 /nfs/dbraw/zinc/20/22/86/569202286.db2.gz DMNUKVZIKOVFQA-WUKNDPDISA-N 0 0 426.560 5.309 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NCC3CC3)c2)cc1 ZINC000037601162 569202355 /nfs/dbraw/zinc/20/23/55/569202355.db2.gz IEUHURXJODBWJW-UHFFFAOYSA-N 0 0 426.560 5.219 50 0 IKAARN CC(=O)N1CCc2ccc(O[C@H](C)C(=O)Nc3ccc(C)cc3)cc2[C@@H]1c1cccc(F)c1 ZINC000037602123 569202382 /nfs/dbraw/zinc/20/23/82/569202382.db2.gz VJJQBMQLHLILBY-DWXRJYCRSA-N 0 0 446.522 5.034 50 0 IKAARN CCCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)/C=C/c2ccccc2)c1 ZINC000037601123 569202393 /nfs/dbraw/zinc/20/23/93/569202393.db2.gz VLFUANWFHQPMAV-WUKNDPDISA-N 0 0 426.560 5.310 50 0 IKAARN Cc1cccc(S(=O)(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002214571 569202944 /nfs/dbraw/zinc/20/29/44/569202944.db2.gz PJAXGDSDCKZLOG-UHFFFAOYSA-N 0 0 446.576 5.198 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)C[C@@H]1C ZINC000037623905 569203411 /nfs/dbraw/zinc/20/34/11/569203411.db2.gz BTRKLEXLXXXBIM-INIZCTEOSA-N 0 0 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Cc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1Cl ZINC000002220387 569204581 /nfs/dbraw/zinc/20/45/81/569204581.db2.gz XPDZBCMTYACEKP-UHFFFAOYSA-N 0 0 442.906 5.475 50 0 IKAARN COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002220347 569204603 /nfs/dbraw/zinc/20/46/03/569204603.db2.gz ZLRKXTNMCKVBOD-UHFFFAOYSA-N 0 0 434.565 5.206 50 0 IKAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002222735 569204663 /nfs/dbraw/zinc/20/46/63/569204663.db2.gz QPYADFHVCPRODO-QFIPXVFZSA-N 0 0 447.918 6.082 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3ccccc3Cl)c(=O)c(C)nn2-c2ccccc2)cc1 ZINC000002223371 569204728 /nfs/dbraw/zinc/20/47/28/569204728.db2.gz GKIVSTHTFVZTIB-UHFFFAOYSA-N 0 0 445.906 5.122 50 0 IKAARN Cn1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(-c2ccccc2Cl)n1 ZINC000097554006 569205607 /nfs/dbraw/zinc/20/56/07/569205607.db2.gz WZZVJYMZQNQDHL-UHFFFAOYSA-N 0 0 448.979 5.617 50 0 IKAARN CCCCCCc1cc2c(cc1OCC(=O)OCC)occ(-c1csc(C)n1)c2=O ZINC000002226677 569205899 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Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccc(F)cc2)cc1Cl ZINC000002974956 569213028 /nfs/dbraw/zinc/21/30/28/569213028.db2.gz CIHIMQVFNYIURQ-UHFFFAOYSA-N 0 0 442.925 6.801 50 0 IKAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 ZINC000003012745 569213071 /nfs/dbraw/zinc/21/30/71/569213071.db2.gz JAGVVJLHFILJON-RTBURBONSA-N 0 0 430.430 5.113 50 0 IKAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000003012743 569213183 /nfs/dbraw/zinc/21/31/83/569213183.db2.gz JAGVVJLHFILJON-OALUTQOASA-N 0 0 430.430 5.113 50 0 IKAARN O=C(Nc1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000003112352 569213234 /nfs/dbraw/zinc/21/32/34/569213234.db2.gz AFHMKYDSFKKCOH-AWEZNQCLSA-N 0 0 432.147 6.118 50 0 IKAARN Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000003146073 569213307 /nfs/dbraw/zinc/21/33/07/569213307.db2.gz RNOHEJPLQGHZGB-PJPFFZEESA-N 0 0 441.530 5.713 50 0 IKAARN O=C(COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc32)cc1)N1CCCCC1 ZINC000002240352 569213618 /nfs/dbraw/zinc/21/36/18/569213618.db2.gz IAIIHOYSXNBPJT-UHFFFAOYSA-N 0 0 438.531 5.432 50 0 IKAARN CCn1c2ccccc2c(=O)c(-c2ccc(OC)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000002241957 569213627 /nfs/dbraw/zinc/21/36/27/569213627.db2.gz DQIVGOYAKCBYEN-UHFFFAOYSA-N 0 0 432.907 5.603 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCc3ccc(Cl)cc3)c2c2c1CCC2 ZINC000002250237 569213861 /nfs/dbraw/zinc/21/38/61/569213861.db2.gz XDVTXBGIUOFUSQ-UHFFFAOYSA-N 0 0 426.010 6.797 50 0 IKAARN CC(C)CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 ZINC000002251324 569213940 /nfs/dbraw/zinc/21/39/40/569213940.db2.gz KPTNDWIPRHUORQ-UHFFFAOYSA-N 0 0 434.605 6.058 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002251800 569214117 /nfs/dbraw/zinc/21/41/17/569214117.db2.gz PLRPYOYQYJRQAL-FGZHOGPDSA-N 0 0 432.936 5.514 50 0 IKAARN COc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(C(F)(F)F)c3)oc2c1 ZINC000027474969 569214124 /nfs/dbraw/zinc/21/41/24/569214124.db2.gz VDGBYOACYDQJEI-NFFVHWSESA-N 0 0 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Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3N2)cc1 ZINC000002248298 569214695 /nfs/dbraw/zinc/21/46/95/569214695.db2.gz IFCHWHTZJQKMSQ-ZBFHGGJFSA-N 0 0 435.837 5.153 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000002249530 569214875 /nfs/dbraw/zinc/21/48/75/569214875.db2.gz SPOLCUAPNGDMKC-OAQYLSRUSA-N 0 0 430.529 5.740 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@H](/C=C/c2ccccc2)C1 ZINC000027469071 569215304 /nfs/dbraw/zinc/21/53/04/569215304.db2.gz JECFLWYVNMSGND-VSFZPWCASA-N 0 0 425.919 5.628 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000002258038 569215306 /nfs/dbraw/zinc/21/53/06/569215306.db2.gz AEFSXOWOESTXCX-UHFFFAOYSA-N 0 0 447.369 7.240 50 0 IKAARN CSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=N2)c2ccccc2O[C@@H]1c1cccs1 ZINC000002257663 569215307 /nfs/dbraw/zinc/21/53/07/569215307.db2.gz RHRLVSWJRHZUNP-NHCUHLMSSA-N 0 0 448.548 5.761 50 0 IKAARN CCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)c1 ZINC000002258691 569215391 /nfs/dbraw/zinc/21/53/91/569215391.db2.gz LTGXBMPMPQKXLS-UHFFFAOYSA-N 0 0 433.327 5.232 50 0 IKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002261517 569215807 /nfs/dbraw/zinc/21/58/07/569215807.db2.gz RHHAKVRXIGTMLH-UHFFFAOYSA-N 0 0 431.858 5.201 50 0 IKAARN COc1ccc2oc(=O)c(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2c1 ZINC000002262131 569215981 /nfs/dbraw/zinc/21/59/81/569215981.db2.gz IXFDAURREMJDAT-UHFFFAOYSA-N 0 0 427.481 6.384 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002263679 569216037 /nfs/dbraw/zinc/21/60/37/569216037.db2.gz XEOSKGFBUFWJOK-UHFFFAOYSA-N 0 0 440.906 5.541 50 0 IKAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002263672 569216096 /nfs/dbraw/zinc/21/60/96/569216096.db2.gz DRMZEDTYRCGQKV-UHFFFAOYSA-N 0 0 436.943 5.711 50 0 IKAARN CC(C)c1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002264690 569216115 /nfs/dbraw/zinc/21/61/15/569216115.db2.gz MWHLVDWHHBSRPM-UHFFFAOYSA-N 0 0 436.515 5.636 50 0 IKAARN COc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c(OC)c1 ZINC000002267230 569216249 /nfs/dbraw/zinc/21/62/49/569216249.db2.gz OHFBECSBXQTEQV-UHFFFAOYSA-N 0 0 426.303 6.364 50 0 IKAARN CCCn1c(=O)c2c(nc1SCCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002266077 569216306 /nfs/dbraw/zinc/21/63/06/569216306.db2.gz YCSQIXIZLUZSLT-UHFFFAOYSA-N 0 0 444.644 6.413 50 0 IKAARN O=C(C=Cc1ccccc1)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 ZINC000002265911 569216309 /nfs/dbraw/zinc/21/63/09/569216309.db2.gz LHILUTCDSLFCOZ-SDNWHVSQSA-N 0 0 430.554 5.923 50 0 IKAARN Clc1cc(Cl)cc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1 ZINC000002266813 569216310 /nfs/dbraw/zinc/21/63/10/569216310.db2.gz YYLIXYZGKBPJFN-UHFFFAOYSA-N 0 0 435.141 7.654 50 0 IKAARN CCOc1cccc2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c(=O)oc21 ZINC000027498988 569216349 /nfs/dbraw/zinc/21/63/49/569216349.db2.gz DEJADXVRZHYKEZ-UHFFFAOYSA-N 0 0 432.423 6.078 50 0 IKAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000027500357 569216454 /nfs/dbraw/zinc/21/64/54/569216454.db2.gz XGRCNLMRMNACQR-STZFKDTASA-N 0 0 434.289 5.373 50 0 IKAARN CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccc(Br)cc3)oc2cc1O ZINC000002268632 569216472 /nfs/dbraw/zinc/21/64/72/569216472.db2.gz NYCCHENVYBAIBU-LVWGJNHUSA-N 0 0 443.341 5.355 50 0 IKAARN O=C(Oc1ccc(C2CCCCC2)cc1)c1cc(I)ccc1Cl ZINC000027500880 569216586 /nfs/dbraw/zinc/21/65/86/569216586.db2.gz FERMPUJXYVSXHS-UHFFFAOYSA-N 0 0 440.708 6.212 50 0 IKAARN Cc1ccc(CNC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002253684 569216612 /nfs/dbraw/zinc/21/66/12/569216612.db2.gz JINXNBSHICAPGS-UHFFFAOYSA-N 0 0 435.531 5.011 50 0 IKAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 ZINC000002254632 569216826 /nfs/dbraw/zinc/21/68/26/569216826.db2.gz YICBJLDEXYFQRT-UHFFFAOYSA-N 0 0 434.627 5.277 50 0 IKAARN CC(C)CCOC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 ZINC000002256112 569216883 /nfs/dbraw/zinc/21/68/83/569216883.db2.gz QUYOZBODYNICSA-UHFFFAOYSA-N 0 0 443.334 5.666 50 0 IKAARN 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569217671 /nfs/dbraw/zinc/21/76/71/569217671.db2.gz REFRNNRHWJJYJK-UHFFFAOYSA-N 0 0 449.963 5.886 50 0 IKAARN CC(C)(C)NC(=O)CN1c2ccccc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000002273597 569217717 /nfs/dbraw/zinc/21/77/17/569217717.db2.gz WUEGPUQZTRXHGZ-MUUNZHRXSA-N 0 0 426.560 5.654 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)c(=O)oc2c1 ZINC000002274627 569217785 /nfs/dbraw/zinc/21/77/85/569217785.db2.gz XOTROSRMPQWKCH-UHFFFAOYSA-N 0 0 430.291 5.663 50 0 IKAARN CC(=O)CCc1c(-c2ccc(C)cc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1 ZINC000002277545 569217966 /nfs/dbraw/zinc/21/79/66/569217966.db2.gz QOVUXFFFPOKGHU-UHFFFAOYSA-N 0 0 431.557 5.684 50 0 IKAARN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1C ZINC000027520306 569218209 /nfs/dbraw/zinc/21/82/09/569218209.db2.gz ZPJKKOSNPJPOOQ-UHFFFAOYSA-N 0 0 441.318 5.362 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 ZINC000027521713 569218220 /nfs/dbraw/zinc/21/82/20/569218220.db2.gz PDORAAMPXMCYMY-UHFFFAOYSA-N 0 0 444.712 5.594 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569256898 /nfs/dbraw/zinc/25/68/98/569256898.db2.gz ZVLSZTMWFVUJKU-UPVQGACJSA-N 0 0 444.358 5.790 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3coc4ccccc4c3=O)[C@H]1CO2 ZINC000019863170 569257011 /nfs/dbraw/zinc/25/70/11/569257011.db2.gz KZMLIDOVAPSFBQ-QYBDOPJKSA-N 0 0 425.509 6.078 50 0 IKAARN Cc1ccc2occ([C@@H]3Sc4ccccc4N=C4c5cc(C)ccc5OC[C@H]43)c(=O)c2c1 ZINC000019863183 569257017 /nfs/dbraw/zinc/25/70/17/569257017.db2.gz HELOETTVEIIPCN-XHCCPWGMSA-N 0 0 439.536 6.386 50 0 IKAARN CSc1ccc(C(=O)COc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 ZINC000019880652 569257031 /nfs/dbraw/zinc/25/70/31/569257031.db2.gz VIBFOTCQWUNWOR-UHFFFAOYSA-N 0 0 441.361 5.408 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@H]21 ZINC000019863220 569257053 /nfs/dbraw/zinc/25/70/53/569257053.db2.gz BDEMTNWIPSQHBK-CRICUBBOSA-N 0 0 447.462 6.048 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccc(C)cc3c2-c2cnc3c(c2)COc2ccccc2-3)cc1 ZINC000019898010 569257055 /nfs/dbraw/zinc/25/70/55/569257055.db2.gz CZYPGYYJJUBHHB-UHFFFAOYSA-N 0 0 431.491 6.902 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@@H]21 ZINC000019863218 569257065 /nfs/dbraw/zinc/25/70/65/569257065.db2.gz BDEMTNWIPSQHBK-SSOJOUAXSA-N 0 0 447.462 6.048 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)c1 ZINC000019912663 569257074 /nfs/dbraw/zinc/25/70/74/569257074.db2.gz XRHXGICKFIGAPT-GMAHTHKFSA-N 0 0 441.369 5.908 50 0 IKAARN O=c1c2cc(Cl)ccc2occ1[C@H]1Sc2ccccc2N=C2c3ccccc3OC[C@@H]21 ZINC000019898051 569257093 /nfs/dbraw/zinc/25/70/93/569257093.db2.gz ZSOZMQPRIDDERD-GKVSMKOHSA-N 0 0 445.927 6.423 50 0 IKAARN O=c1c2ccccc2occ1[C@H]1Sc2ccccc2N=C2c3cc(F)ccc3OC[C@@H]21 ZINC000019908416 569257151 /nfs/dbraw/zinc/25/71/51/569257151.db2.gz MLLLQSLKMPVAOG-GKVSMKOHSA-N 0 0 429.472 5.909 50 0 IKAARN Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)cc1 ZINC000019898031 569257184 /nfs/dbraw/zinc/25/71/84/569257184.db2.gz YCUQJJWNEVWDJA-OAQYLSRUSA-N 0 0 428.782 7.460 50 0 IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccc(C)cc3)C1[C@@H](c1ccc(F)cc1)O2 ZINC000019925984 569257227 /nfs/dbraw/zinc/25/72/27/569257227.db2.gz HBGZDWBUQGRTLB-JWQCQUIFSA-N 0 0 440.478 5.294 50 0 IKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)s3)=NN21 ZINC000019928244 569257285 /nfs/dbraw/zinc/25/72/85/569257285.db2.gz PDVGKZYHIXHHCT-JXFKEZNVSA-N 0 0 445.769 6.406 50 0 IKAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1OC ZINC000019926462 569257293 /nfs/dbraw/zinc/25/72/93/569257293.db2.gz CFYAXJUSSLKAJA-CUBQBAPOSA-N 0 0 436.511 6.099 50 0 IKAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)s4)=NN32)cc1 ZINC000019928262 569257295 /nfs/dbraw/zinc/25/72/95/569257295.db2.gz GIMHENDILXJDGZ-OXQOHEQNSA-N 0 0 429.314 5.892 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)s3)=NN21 ZINC000019926511 569257302 /nfs/dbraw/zinc/25/73/02/569257302.db2.gz RVBFAOQNDXMOES-IERDGZPVSA-N 0 0 441.350 5.762 50 0 IKAARN 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 ZINC000025553770 569257342 /nfs/dbraw/zinc/25/73/42/569257342.db2.gz HAHDDRPLUQXNKO-LJNFUNDNSA-N 0 0 442.596 5.186 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 ZINC000025576324 569257403 /nfs/dbraw/zinc/25/74/03/569257403.db2.gz MMVXZRVACCTCHY-XXBNENTESA-N 0 0 439.298 5.964 50 0 IKAARN Cc1ccc2nc(-c3cc(C(C)C)c(O)c(C(C)C)c3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000035615865 569257569 /nfs/dbraw/zinc/25/75/69/569257569.db2.gz BGIULBOJQYWJAR-UHFFFAOYSA-N 0 0 443.547 6.734 50 0 IKAARN COc1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 ZINC000035324150 569257647 /nfs/dbraw/zinc/25/76/47/569257647.db2.gz FBJLPYMCBZFUML-OIILSJCSSA-N 0 0 436.592 6.419 50 0 IKAARN COc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(Br)cc2)cc1OC ZINC000035615958 569257762 /nfs/dbraw/zinc/25/77/62/569257762.db2.gz CYCQSZFPSYQCEH-UHFFFAOYSA-N 0 0 438.325 5.833 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000036371492 569257770 /nfs/dbraw/zinc/25/77/70/569257770.db2.gz VNJBUCCXHRSVLO-LRUVKOSTSA-N 0 0 428.701 8.104 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000036371788 569257779 /nfs/dbraw/zinc/25/77/79/569257779.db2.gz HZVPNPSHLHXAAJ-DXYTVJBZSA-N 0 0 440.712 8.126 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2c(F)cccc2Cl)cc1 ZINC000100671247 569258571 /nfs/dbraw/zinc/25/85/71/569258571.db2.gz JMTIOEPSSCCSQK-KNQAVFIVSA-N 0 0 431.269 6.514 50 0 IKAARN COC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000256980730 569262985 /nfs/dbraw/zinc/26/29/85/569262985.db2.gz WHMGDIMLSAAHJQ-CMMXEVFZSA-N 0 0 444.700 8.179 50 0 IKAARN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000257347289 569263067 /nfs/dbraw/zinc/26/30/67/569263067.db2.gz CMEBYDLSQUFGEM-MCUAOUMJSA-N 0 0 440.668 7.059 50 0 IKAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C ZINC000257347539 569263086 /nfs/dbraw/zinc/26/30/86/569263086.db2.gz KNHGHMDIHVHLKX-GEXJHMOBSA-N 0 0 446.628 5.345 50 0 IKAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000257347541 569263089 /nfs/dbraw/zinc/26/30/89/569263089.db2.gz KNHGHMDIHVHLKX-ZHHKIUIFSA-N 0 0 446.628 5.345 50 0 IKAARN CCCCc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000027527509 569263212 /nfs/dbraw/zinc/26/32/12/569263212.db2.gz WSUVSQUGWZVMCO-UHFFFAOYSA-N 0 0 431.923 5.443 50 0 IKAARN CCc1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000027528318 569263622 /nfs/dbraw/zinc/26/36/22/569263622.db2.gz BNWPBSMABPLHAN-UHFFFAOYSA-N 0 0 435.354 7.332 50 0 IKAARN CCN1c2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)c3cccc(c23)C1=O ZINC000027528268 569263625 /nfs/dbraw/zinc/26/36/25/569263625.db2.gz HCVIFKYKWACYRE-UHFFFAOYSA-N 0 0 449.535 6.349 50 0 IKAARN O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc2c3c(cccc31)CC2 ZINC000002283975 569263717 /nfs/dbraw/zinc/26/37/17/569263717.db2.gz XJTHKHDUTWXZCP-RUZDIDTESA-N 0 0 431.582 5.528 50 0 IKAARN COc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 ZINC000002284801 569263845 /nfs/dbraw/zinc/26/38/45/569263845.db2.gz DGABAWKRDCNMGD-UHFFFAOYSA-N 0 0 431.293 5.407 50 0 IKAARN CCCCCCOc1ccc(OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000002286710 569263943 /nfs/dbraw/zinc/26/39/43/569263943.db2.gz HECBLVHOSXPEBR-UHFFFAOYSA-N 0 0 436.935 6.749 50 0 IKAARN COc1ccc([C@H](Nc2ccc(Cl)c(Cl)c2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000002286155 569263947 /nfs/dbraw/zinc/26/39/47/569263947.db2.gz AGKHSPAWJHWEEK-HXUWFJFHSA-N 0 0 446.311 7.156 50 0 IKAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 ZINC000002287657 569263950 /nfs/dbraw/zinc/26/39/50/569263950.db2.gz DVHKIFNSOWCHNK-UHFFFAOYSA-N 0 0 442.606 5.070 50 0 IKAARN Cc1c(NC(=O)c2ccc(Cl)cc2Cl)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000002288108 569263965 /nfs/dbraw/zinc/26/39/65/569263965.db2.gz YUFSHOAUTVXKCP-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN CCOc1cccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000002288087 569264018 /nfs/dbraw/zinc/26/40/18/569264018.db2.gz RPCRTUGMNGPXFU-UHFFFAOYSA-N 0 0 434.923 5.585 50 0 IKAARN CSc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000253396223 569264552 /nfs/dbraw/zinc/26/45/52/569264552.db2.gz AXJCKGKHGXKXGE-JOCHJYFZSA-N 0 0 431.561 5.144 50 0 biogenic IKAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000253412289 569265888 /nfs/dbraw/zinc/26/58/88/569265888.db2.gz QMUIYFHITXRPSG-NRFANRHFSA-N 0 0 436.463 5.637 50 0 biogenic IKAARN O=C1C[C@H](c2coc3ccccc3c2=O)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253413655 569265973 /nfs/dbraw/zinc/26/59/73/569265973.db2.gz VIXXNXJRKPPERI-GOSISDBHSA-N 0 0 436.419 5.007 50 0 biogenic IKAARN CCCCc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccc(OC)c(OC)c2)cc1 ZINC000027532309 569266492 /nfs/dbraw/zinc/26/64/92/569266492.db2.gz SNRSJYURRZRSFP-UHFFFAOYSA-N 0 0 443.547 5.167 50 0 IKAARN CCCCc1ccc(-c2nc3ccccc3c(=O)n2NCc2c(F)cccc2Cl)cc1 ZINC000027532291 569266528 /nfs/dbraw/zinc/26/65/28/569266528.db2.gz UYVBTLNDAKEUKY-UHFFFAOYSA-N 0 0 435.930 5.942 50 0 IKAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NCc2cc(Br)ccc2F)c1 ZINC000027532261 569266530 /nfs/dbraw/zinc/26/65/30/569266530.db2.gz YRNKGUUQZIFSMR-UHFFFAOYSA-N 0 0 438.300 5.017 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2C)cc1 ZINC000253429699 569267514 /nfs/dbraw/zinc/26/75/14/569267514.db2.gz UMUWBTSSIZIGCV-JOCHJYFZSA-N 0 0 440.952 5.197 50 0 IKAARN CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1 ZINC000253429917 569267519 /nfs/dbraw/zinc/26/75/19/569267519.db2.gz VNNAOHOTMATQNI-MRXNPFEDSA-N 0 0 440.437 5.019 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2C)cc1 ZINC000253429705 569267520 /nfs/dbraw/zinc/26/75/20/569267520.db2.gz UMUWBTSSIZIGCV-QFIPXVFZSA-N 0 0 440.952 5.197 50 0 IKAARN Cc1cccc(OP(=O)(Nc2cccc3cccnc32)Oc2cccc(C)c2C)c1C ZINC000002291078 569267887 /nfs/dbraw/zinc/26/78/87/569267887.db2.gz BOKZPDLOJHHXBQ-UHFFFAOYSA-N 0 0 432.460 7.146 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 ZINC000002290746 569267920 /nfs/dbraw/zinc/26/79/20/569267920.db2.gz HZQYDWXDWMIPLA-UHFFFAOYSA-N 0 0 448.313 5.715 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000002290781 569267925 /nfs/dbraw/zinc/26/79/25/569267925.db2.gz JQDUOINPSXLPRS-UDWIEESQSA-N 0 0 437.854 5.411 50 0 IKAARN O=C(Oc1ccccc1/C=C1/N=C(c2ccccc2Cl)OC1=O)c1ccc(Cl)cc1 ZINC000002293979 569268118 /nfs/dbraw/zinc/26/81/18/569268118.db2.gz GZMHJTRHVYEQLG-CPNJWEJPSA-N 0 0 438.266 5.557 50 0 IKAARN Cc1ccccc1-n1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002294191 569268151 /nfs/dbraw/zinc/26/81/51/569268151.db2.gz SEAPSVMYCLHHII-UHFFFAOYSA-N 0 0 430.617 6.466 50 0 biogenic IKAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002292976 569268246 /nfs/dbraw/zinc/26/82/46/569268246.db2.gz XBKFCRKKMXXKDO-UHFFFAOYSA-N 0 0 445.954 5.430 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NCC1CCCC1 ZINC000002292381 569268258 /nfs/dbraw/zinc/26/82/58/569268258.db2.gz KBWNISFEGHKPRC-UHFFFAOYSA-N 0 0 434.565 5.953 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)Nc3cccc4ccccc43)c3nc4ccccc4nc32)c1 ZINC000002292922 569268263 /nfs/dbraw/zinc/26/82/63/569268263.db2.gz ZVZZCGVVXZQHPM-UHFFFAOYSA-N 0 0 443.510 5.870 50 0 IKAARN Cc1ccc2nc(Nc3ccc(C(=O)Nc4ccccc4)cc3)nc(-c3ccccc3)c2c1 ZINC000002297558 569268378 /nfs/dbraw/zinc/26/83/78/569268378.db2.gz NPKHAOWNYDJJCL-UHFFFAOYSA-N 0 0 430.511 6.601 50 0 IKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@H](C)CCC3 ZINC000002297644 569268384 /nfs/dbraw/zinc/26/83/84/569268384.db2.gz SDFNZMNSGGTSST-OAHLLOKOSA-N 0 0 438.622 5.673 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(F)cc1 ZINC000002297902 569268397 /nfs/dbraw/zinc/26/83/97/569268397.db2.gz JWJSKDDXHKBQPS-XMMPIXPASA-N 0 0 428.467 5.209 50 0 IKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1 ZINC000239135363 569268685 /nfs/dbraw/zinc/26/86/85/569268685.db2.gz LDFZKOYCRHBCOW-JJEOQYAHSA-N 0 0 433.548 5.519 50 0 IKAARN Cc1cc(Br)c(Cl)cc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O ZINC000239235424 569268696 /nfs/dbraw/zinc/26/86/96/569268696.db2.gz VXXMOYSZEUWRGL-ARFHVFGLSA-N 0 0 432.745 5.484 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000238937442 569268702 /nfs/dbraw/zinc/26/87/02/569268702.db2.gz VLHRXUDAKOMLIY-OZXSUGGESA-N 0 0 430.504 5.345 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000239321928 569268751 /nfs/dbraw/zinc/26/87/51/569268751.db2.gz IXLFEJRZOYVRRZ-AHWVRZQESA-N 0 0 432.951 6.761 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000239347325 569268857 /nfs/dbraw/zinc/26/88/57/569268857.db2.gz MSPMMWWNSXFDOF-GMAHTHKFSA-N 0 0 435.321 5.700 50 0 IKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]2C1 ZINC000239402513 569268877 /nfs/dbraw/zinc/26/88/77/569268877.db2.gz QTCJFMOFDDJBDD-DQYPLSBCSA-N 0 0 432.303 5.138 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000239425764 569268884 /nfs/dbraw/zinc/26/88/84/569268884.db2.gz VFLVERBIEIQBPN-NJDAHSKKSA-N 0 0 439.298 5.045 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2cncnc2)Cc2cccc(Cl)c2F)CC1 ZINC000241157289 569268965 /nfs/dbraw/zinc/26/89/65/569268965.db2.gz JWLYWFQKQHWPAP-IBGZPJMESA-N 0 0 448.970 5.061 50 0 IKAARN Cc1ccc([C@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000239434010 569268989 /nfs/dbraw/zinc/26/89/89/569268989.db2.gz YWKQZWIISXPLLT-XVSLLGIESA-N 0 0 443.568 6.133 50 0 IKAARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccc(Br)c3)C2)c1 ZINC000240407404 569268996 /nfs/dbraw/zinc/26/89/96/569268996.db2.gz FLZDVLPQVWLPMK-LJQANCHMSA-N 0 0 441.350 5.511 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000239433538 569269048 /nfs/dbraw/zinc/26/90/48/569269048.db2.gz XWMXZPAYTYZFRU-RXVVDRJESA-N 0 0 441.350 5.762 50 0 IKAARN O=S(=O)(c1ccccc1)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Br)cc1 ZINC000241515745 569269176 /nfs/dbraw/zinc/26/91/76/569269176.db2.gz OHQXKTDEGCJFAP-LJQANCHMSA-N 0 0 447.379 5.051 50 0 IKAARN O=S(=O)(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccc(Br)cc1 ZINC000241515744 569269182 /nfs/dbraw/zinc/26/91/82/569269182.db2.gz OHQXKTDEGCJFAP-IBGZPJMESA-N 0 0 447.379 5.051 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000242543300 569269199 /nfs/dbraw/zinc/26/91/99/569269199.db2.gz JVRUDYNTKOCRNP-WQELVGMLSA-N 0 0 436.592 6.107 50 0 IKAARN COc1ccc(OC)c(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3F)C2)c1 ZINC000241923308 569269201 /nfs/dbraw/zinc/26/92/01/569269201.db2.gz UEVJICQAJKDAJI-QFIPXVFZSA-N 0 0 438.886 5.488 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000242324437 569269202 /nfs/dbraw/zinc/26/92/02/569269202.db2.gz ZBGFAOCRDSWENG-VRAWNYFSSA-N 0 0 440.605 6.067 50 0 IKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)c2ccoc2C)c1 ZINC000245226249 569269453 /nfs/dbraw/zinc/26/94/53/569269453.db2.gz MAXLXFSSOLYCRP-YPCDYVTLSA-N 0 0 447.531 6.003 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)c1 ZINC000245238061 569269523 /nfs/dbraw/zinc/26/95/23/569269523.db2.gz FALZVJTVHZYOMC-IRLDBZIGSA-N 0 0 436.309 5.095 50 0 IKAARN C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OC[N@@H+]2C1 ZINC000245238224 569269558 /nfs/dbraw/zinc/26/95/58/569269558.db2.gz GRMUAQMHJKQVFL-JKQNTIISSA-N 0 0 427.673 5.629 50 0 biogenic IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)cc1 ZINC000245238703 569269565 /nfs/dbraw/zinc/26/95/65/569269565.db2.gz ZEXFRMAJXWTNFE-UNMCSNQZSA-N 0 0 436.309 5.095 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000245245635 569269712 /nfs/dbraw/zinc/26/97/12/569269712.db2.gz FJLCOAMSRPOSOM-GGAORHGYSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)[C@H]2OC(C)=O)cc1 ZINC000245253622 569269713 /nfs/dbraw/zinc/26/97/13/569269713.db2.gz JPPVXERJZNMYHM-SLVLOJHMSA-N 0 0 446.587 6.185 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(OC)c2)cc1 ZINC000245253836 569269722 /nfs/dbraw/zinc/26/97/22/569269722.db2.gz HAOLSZMHWDKLOT-OZXSUGGESA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000245247588 569269723 /nfs/dbraw/zinc/26/97/23/569269723.db2.gz WWRJNWKACOOMPF-YKSBVNFPSA-N 0 0 438.886 5.739 50 0 IKAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245311078 569269802 /nfs/dbraw/zinc/26/98/02/569269802.db2.gz MCAJYCWBANOJCU-YFNKSVMNSA-N 0 0 446.934 5.316 50 0 IKAARN CCc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000245312089 569269886 /nfs/dbraw/zinc/26/98/86/569269886.db2.gz SDKLWRWAVXGWGH-ZONZVBGPSA-N 0 0 448.522 5.453 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000245380440 569269936 /nfs/dbraw/zinc/26/99/36/569269936.db2.gz ZFVAGRNVSJGZSJ-GGAORHGYSA-N 0 0 435.321 5.700 50 0 IKAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[C@H](Cc3ccccc3)C[C@H]12 ZINC000248059797 569270377 /nfs/dbraw/zinc/27/03/77/569270377.db2.gz ZRJAPVMBHCFTAR-SHFQUTHWSA-N 0 0 449.598 5.788 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000248058155 569270407 /nfs/dbraw/zinc/27/04/07/569270407.db2.gz CLYQQYXUKPFUSX-VWNXMTODSA-N 0 0 449.348 6.008 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000248380942 569270938 /nfs/dbraw/zinc/27/09/38/569270938.db2.gz RPTPQDRMGKSWJG-OZXSUGGESA-N 0 0 430.504 5.345 50 0 IKAARN 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/nfs/dbraw/zinc/27/16/30/569271630.db2.gz FKILKOZUKZKVGZ-UHFFFAOYSA-N 0 0 433.558 5.758 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000002304831 569271720 /nfs/dbraw/zinc/27/17/20/569271720.db2.gz JHRQTSOSHHFGAS-IBGZPJMESA-N 0 0 442.650 6.217 50 0 IKAARN CCn1c(=O)c2c(nc1SCc1ccc(C)cc1C)-c1ccccc1CC21CCCCC1 ZINC000002307892 569271961 /nfs/dbraw/zinc/27/19/61/569271961.db2.gz XIAKOVFEHIZPFD-UHFFFAOYSA-N 0 0 444.644 6.597 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000002307337 569272006 /nfs/dbraw/zinc/27/20/06/569272006.db2.gz HOFKOZBBHXEODO-CLJLJLNGSA-N 0 0 428.482 6.143 50 0 IKAARN CCCCCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002309901 569272064 /nfs/dbraw/zinc/27/20/64/569272064.db2.gz OTWBETMBVCCVNF-UHFFFAOYSA-N 0 0 441.457 5.095 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000253387449 569272347 /nfs/dbraw/zinc/27/23/47/569272347.db2.gz TXTDZCLGSCYGQU-XLIONFOSSA-N 0 0 445.769 6.406 50 0 IKAARN CCOC(=O)c1c2cc(OCc3cc(C)ccc3C)ccc2oc1-c1ccc(OC)cc1 ZINC000002316741 569272472 /nfs/dbraw/zinc/27/24/72/569272472.db2.gz OGCHBCYDIPGZHW-UHFFFAOYSA-N 0 0 430.500 6.481 50 0 IKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000253490916 569272690 /nfs/dbraw/zinc/27/26/90/569272690.db2.gz KNHGHMDIHVHLKX-TVLNBVNISA-N 0 0 446.628 5.345 50 0 IKAARN 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]3CC[C@@]2(O)C1 ZINC000253497988 569272821 /nfs/dbraw/zinc/27/28/21/569272821.db2.gz XGBHFLNWQIPOQW-JBPWIFRGSA-N 0 0 446.716 7.154 50 0 IKAARN CC(=O)O[C@@H]1C[C@@H]2C(=C3CC[C@H](O)C[C@@]31C)CC[C@@]1(C)[C@@H]2CC[C@H]1[C@H](C)CCCC(C)C ZINC000253497656 569272873 /nfs/dbraw/zinc/27/28/73/569272873.db2.gz ALUXQROARXCVRO-DQSSYRFSSA-N 0 0 444.700 7.074 50 0 IKAARN 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]3CC[C@@]2(O)C1 ZINC000253497987 569272905 /nfs/dbraw/zinc/27/29/05/569272905.db2.gz XGBHFLNWQIPOQW-HKPSZZMVSA-N 0 0 446.716 7.154 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)c1C ZINC000253508315 569272971 /nfs/dbraw/zinc/27/29/71/569272971.db2.gz DGHNSOORNPGMCA-RTEDZHTQSA-N 0 0 426.645 5.278 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)c1C ZINC000253508312 569272982 /nfs/dbraw/zinc/27/29/82/569272982.db2.gz DGHNSOORNPGMCA-OWDAVTEDSA-N 0 0 426.645 5.278 50 0 IKAARN CCn1nc(C)c(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)c1C ZINC000253534499 569273135 /nfs/dbraw/zinc/27/31/35/569273135.db2.gz DGHNSOORNPGMCA-ACJNTHDASA-N 0 0 426.645 5.278 50 0 IKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(Cl)cc1Cl)[C@@H]2O ZINC000253596683 569273205 /nfs/dbraw/zinc/27/32/05/569273205.db2.gz UVKLEPAXPBFJMQ-RKLAVRRMSA-N 0 0 447.446 6.671 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253609243 569273321 /nfs/dbraw/zinc/27/33/21/569273321.db2.gz JOBAYBRAHVTSSW-KVVWEISHSA-N 0 0 442.728 8.206 50 0 IKAARN CCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000253609131 569273378 /nfs/dbraw/zinc/27/33/78/569273378.db2.gz BBQNHGBERIULCP-WJUGFPRFSA-N 0 0 428.745 8.823 50 0 IKAARN CCc1c(C)c2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2oc1=O ZINC000002319178 569273407 /nfs/dbraw/zinc/27/34/07/569273407.db2.gz DMBYWIGYJWETCW-UHFFFAOYSA-N 0 0 429.472 5.474 50 0 IKAARN Cc1cccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 ZINC000002319514 569273529 /nfs/dbraw/zinc/27/35/29/569273529.db2.gz BHHBQHVVTSOPIB-UHFFFAOYSA-N 0 0 428.623 5.745 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@](Cl)(N=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254401066 569273797 /nfs/dbraw/zinc/27/37/97/569273797.db2.gz YUFHRWHHAMPWQY-PMCREYAYSA-N 0 0 436.124 8.809 50 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ZINC000257357639 569280881 /nfs/dbraw/zinc/28/08/81/569280881.db2.gz PDHBBLKLYCTOIR-SRJRWMIXSA-N 0 0 442.728 8.206 50 0 IKAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257357366 569280885 /nfs/dbraw/zinc/28/08/85/569280885.db2.gz NSRLWNNZHGRGJS-BUNJHDQMSA-N 0 0 440.624 6.293 50 0 IKAARN 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]3CC[C@]2(O)C1 ZINC000257358916 569280970 /nfs/dbraw/zinc/28/09/70/569280970.db2.gz XGBHFLNWQIPOQW-UCKCZYQBSA-N 0 0 446.716 7.154 50 0 IKAARN CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000257359300 569280978 /nfs/dbraw/zinc/28/09/78/569280978.db2.gz ZLILDNLHVMTMDV-LQHDKKCXSA-N 0 0 442.728 8.206 50 0 IKAARN COc1cccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)C2CCCCC2)c1 ZINC000002347907 569281092 /nfs/dbraw/zinc/28/10/92/569281092.db2.gz ROTTUIPGWGFYKI-UHFFFAOYSA-N 0 0 445.563 5.352 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)ccc2C(C)C)cc1 ZINC000002347626 569281103 /nfs/dbraw/zinc/28/11/03/569281103.db2.gz VRIYDGPUBKRTQG-UHFFFAOYSA-N 0 0 428.532 5.583 50 0 IKAARN CCc1nc2sc3c(c2c(SCC(=O)Nc2ccc(C)cc2C)n1)CC(C)(C)OC3 ZINC000002348705 569281972 /nfs/dbraw/zinc/28/19/72/569281972.db2.gz GTHQWEFMPJOIHP-UHFFFAOYSA-N 0 0 441.622 5.453 50 0 IKAARN CCCCc1nc2sc3c(ncnc3SCc3ccc(OC)cc3)c2c2c1CCC2 ZINC000002350080 569282217 /nfs/dbraw/zinc/28/22/17/569282217.db2.gz DZLVMRVFSNLXDU-UHFFFAOYSA-N 0 0 435.618 6.372 50 0 IKAARN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl ZINC000263639629 569282406 /nfs/dbraw/zinc/28/24/06/569282406.db2.gz AWKPCPMFYSBPFO-UHFFFAOYSA-N 0 0 429.678 5.583 50 0 IKAARN FC(F)(F)c1cc(Cl)c2c(Br)nc(-c3c(Cl)cccc3Cl)n2c1 ZINC000263639883 569282454 /nfs/dbraw/zinc/28/24/54/569282454.db2.gz NBGHCJDVZDWQTN-UHFFFAOYSA-N 0 0 444.465 6.743 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)cc1 ZINC000263639943 569282481 /nfs/dbraw/zinc/28/24/81/569282481.db2.gz PLHPULSHZVZFNR-UHFFFAOYSA-N 0 0 429.829 6.234 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3F)cc3cc(OC)c(OC)cc32)cc1 ZINC000002351595 569282679 /nfs/dbraw/zinc/28/26/79/569282679.db2.gz AXZNFLMEPLIDQL-UHFFFAOYSA-N 0 0 445.490 6.314 50 0 IKAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253499806 569283261 /nfs/dbraw/zinc/28/32/61/569283261.db2.gz NZDFRHCQINXFLI-MEWBFINUSA-N 0 0 428.613 5.800 50 0 biogenic IKAARN Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000299757560 569283576 /nfs/dbraw/zinc/28/35/76/569283576.db2.gz GYHGAMJKZUNWLT-HNNXBMFYSA-N 0 0 433.581 5.008 50 0 IKAARN Fc1ccc(Oc2ccc(Cl)c(Cl)c2)c([C@@H]2CCCN2c2cncc(Cl)n2)c1 ZINC000299803940 569283631 /nfs/dbraw/zinc/28/36/31/569283631.db2.gz LSYXANSTDOHMRX-KRWDZBQOSA-N 0 0 438.717 6.710 50 0 IKAARN CC[C@H](CCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000299803850 569283713 /nfs/dbraw/zinc/28/37/13/569283713.db2.gz HIIBKNHITKHXER-CYGURQICSA-N 0 0 442.728 8.350 50 0 IKAARN Fc1ccc(Oc2ccc(Cl)c(Cl)c2)c([C@H]2CCCN2c2cncc(Cl)n2)c1 ZINC000299803941 569283724 /nfs/dbraw/zinc/28/37/24/569283724.db2.gz LSYXANSTDOHMRX-QGZVFWFLSA-N 0 0 438.717 6.710 50 0 IKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000253533909 569284069 /nfs/dbraw/zinc/28/40/69/569284069.db2.gz UMAHQZNUPCXKFC-KSEVYYEXSA-N 0 0 438.608 5.998 50 0 IKAARN CCOc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 ZINC000002352461 569284140 /nfs/dbraw/zinc/28/41/40/569284140.db2.gz XCHGMDJWLVAGLX-UHFFFAOYSA-N 0 0 447.918 6.001 50 0 IKAARN O=c1cccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)[nH]1 ZINC000253536322 569284196 /nfs/dbraw/zinc/28/41/96/569284196.db2.gz SNPDNIUDIBOKPQ-UHFFFAOYSA-N 0 0 434.761 5.364 50 0 IKAARN CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000002352646 569284316 /nfs/dbraw/zinc/28/43/16/569284316.db2.gz SOJKJWFQCFBEPQ-IIMAJNMQSA-N 0 0 441.336 6.133 50 0 IKAARN Cc1ccccc1C(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccc(Cl)cc1 ZINC000002353054 569284523 /nfs/dbraw/zinc/28/45/23/569284523.db2.gz GRYSINBUOYEALL-UHFFFAOYSA-N 0 0 429.907 5.422 50 0 IKAARN O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253623793 569284582 /nfs/dbraw/zinc/28/45/82/569284582.db2.gz MCUMXGHIWSBLRY-GOSISDBHSA-N 0 0 435.435 5.155 50 0 biogenic IKAARN COC(=O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000328579115 569285068 /nfs/dbraw/zinc/28/50/68/569285068.db2.gz SBQVWYWJKVVOBP-UHFFFAOYSA-N 0 0 447.126 5.727 50 0 IKAARN COc1ccccc1-n1c(=O)c2c(nc1SC(C)C)-c1ccccc1CC21CCCC1 ZINC000002353966 569285777 /nfs/dbraw/zinc/28/57/77/569285777.db2.gz ZBRSKOLVYBJGDK-UHFFFAOYSA-N 0 0 432.589 5.777 50 0 IKAARN CCCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4 ZINC000002356215 569285972 /nfs/dbraw/zinc/28/59/72/569285972.db2.gz OLDCQPMWXOVQCY-HXUWFJFHSA-N 0 0 436.672 5.975 50 0 IKAARN CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)COC(C)(C)C4 ZINC000002361098 569286766 /nfs/dbraw/zinc/28/67/66/569286766.db2.gz CAYYOOYTLLPYFY-UHFFFAOYSA-N 0 0 428.608 5.205 50 0 IKAARN CC1(C)Cc2nc3oc4c(ncnc4SCC(=O)c4ccc(Cl)cc4)c3cc2CO1 ZINC000002364846 569288294 /nfs/dbraw/zinc/28/82/94/569288294.db2.gz WTBXFBQQWOVDMV-UHFFFAOYSA-N 0 0 439.924 5.251 50 0 IKAARN CCOC(=O)c1c2cc(O[C@@H](C(=O)OCC)c3ccccc3)ccc2oc1-c1ccccc1 ZINC000002365215 569288367 /nfs/dbraw/zinc/28/83/67/569288367.db2.gz CZWAPJGCOPFESX-RUZDIDTESA-N 0 0 444.483 5.960 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCC4)c1 ZINC000002367118 569288618 /nfs/dbraw/zinc/28/86/18/569288618.db2.gz PBFFGRJYVAQBTA-UHFFFAOYSA-N 0 0 429.545 5.604 50 0 IKAARN CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000002371301 569288971 /nfs/dbraw/zinc/28/89/71/569288971.db2.gz HAVDDOKQPHFPFA-LOYHVIPDSA-N 0 0 433.595 7.193 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2c(N)n(-c3cc(C)cc(C)c3)c3nc4ccccc4nc32)c1 ZINC000002371740 569288988 /nfs/dbraw/zinc/28/89/88/569288988.db2.gz NCYDRPRAGARARM-UHFFFAOYSA-N 0 0 435.531 5.642 50 0 IKAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253532898 569289239 /nfs/dbraw/zinc/28/92/39/569289239.db2.gz FDKJNVMJOZNFQP-ODEOHCTISA-N 0 0 430.629 6.086 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2-c2ccccc2)cc1 ZINC000002373097 569289262 /nfs/dbraw/zinc/28/92/62/569289262.db2.gz ITRKVLKCMHWPAQ-UHFFFAOYSA-N 0 0 448.522 5.818 50 0 IKAARN CCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002375459 569289303 /nfs/dbraw/zinc/28/93/03/569289303.db2.gz BFUXOXVQHOIVJX-UHFFFAOYSA-N 0 0 430.617 6.219 50 0 biogenic IKAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(N(CC)CC)cc2)c2nc3ccccc3nc12 ZINC000002375362 569289363 /nfs/dbraw/zinc/28/93/63/569289363.db2.gz LKDATXUJHDZDIC-QGZVFWFLSA-N 0 0 445.567 5.205 50 0 IKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCC2)c(C(C)C)c1 ZINC000002376441 569289418 /nfs/dbraw/zinc/28/94/18/569289418.db2.gz OXJKBPPLKHKAIP-SANMLTNESA-N 0 0 441.681 7.267 50 0 IKAARN COc1ccccc1Oc1coc2cc(OCc3ccc(Cl)cc3Cl)ccc2c1=O ZINC000002377143 569289607 /nfs/dbraw/zinc/28/96/07/569289607.db2.gz MMDFGANMWHIJHR-UHFFFAOYSA-N 0 0 443.282 6.480 50 0 IKAARN FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)c(Br)n2c1 ZINC000008855366 569291194 /nfs/dbraw/zinc/29/11/94/569291194.db2.gz OPQVGYRQDPNDTM-UHFFFAOYSA-N 0 0 444.465 6.743 50 0 IKAARN CCCCc1ccc(-n2c(S)nnc2-c2cc3c(s2)n(C)nc3C(F)(F)F)cc1 ZINC000008853859 569291205 /nfs/dbraw/zinc/29/12/05/569291205.db2.gz KTSURQMZCFTDIR-UHFFFAOYSA-N 0 0 437.516 5.533 50 0 IKAARN CCOC(=O)Cn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008857062 569291433 /nfs/dbraw/zinc/29/14/33/569291433.db2.gz AZXQAQXUOLMAIR-UHFFFAOYSA-N 0 0 446.547 6.212 50 0 IKAARN Clc1cc(Oc2nc3ccccc3nc2Cc2ccccc2)ccc1Br ZINC000008857181 569291437 /nfs/dbraw/zinc/29/14/37/569291437.db2.gz STSFJFXAAADMEQ-UHFFFAOYSA-N 0 0 425.713 6.429 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1-c1ncc(C(=O)c2ccc(Cl)cc2)s1 ZINC000008857038 569291456 /nfs/dbraw/zinc/29/14/56/569291456.db2.gz AOLCWGQQLPZADD-UHFFFAOYSA-N 0 0 433.291 6.450 50 0 IKAARN CCOC(=O)Cn1c(SCc2c(F)cccc2Cl)nc(CC(C)C)c1CC(C)C ZINC000008857279 569291465 /nfs/dbraw/zinc/29/14/65/569291465.db2.gz VHJCRYPAQNCTRD-UHFFFAOYSA-N 0 0 441.012 5.928 50 0 IKAARN CCOc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3c3c2CCS3)cc1 ZINC000008857216 569291481 /nfs/dbraw/zinc/29/14/81/569291481.db2.gz JSMQUZPCLFQDLE-GXDHUFHOSA-N 0 0 425.553 7.244 50 0 IKAARN Cc1ccc(Sc2nc(-c3ccccc3)cc(C)c2S(=O)(=O)c2ccccc2)cc1 ZINC000008857409 569291514 /nfs/dbraw/zinc/29/15/14/569291514.db2.gz YQFZSYQDGNYEJJ-UHFFFAOYSA-N 0 0 431.582 6.349 50 0 IKAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 ZINC000008873083 569291689 /nfs/dbraw/zinc/29/16/89/569291689.db2.gz CRGGORWMHHYEMR-UHFFFAOYSA-N 0 0 438.961 5.781 50 0 IKAARN Clc1ccc(-c2nc3ncccc3n2OCc2ccc(Br)cc2)c(Cl)c1 ZINC000008873736 569291831 /nfs/dbraw/zinc/29/18/31/569291831.db2.gz YSOVTMQFUATQCF-UHFFFAOYSA-N 0 0 449.135 5.796 50 0 IKAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2ccc(Cl)cc2)cc1 ZINC000008888287 569291881 /nfs/dbraw/zinc/29/18/81/569291881.db2.gz YLZRXOHPELWFDB-UHFFFAOYSA-N 0 0 436.342 6.715 50 0 IKAARN FC(F)(F)c1cccc(-c2nc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)cs2)c1 ZINC000008887896 569291914 /nfs/dbraw/zinc/29/19/14/569291914.db2.gz OYZPHEQMPHLAMG-UHFFFAOYSA-N 0 0 442.249 6.853 50 0 IKAARN COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1O ZINC000002380924 569291943 /nfs/dbraw/zinc/29/19/43/569291943.db2.gz CNINXXSKMAVABP-UHFFFAOYSA-N 0 0 429.476 5.120 50 0 IKAARN COc1ccc(N2C(=O)[C@@H](CSc3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000008888279 569291959 /nfs/dbraw/zinc/29/19/59/569291959.db2.gz PXQZVWQDPVVHKV-LOSJGSFVSA-N 0 0 431.601 6.489 50 0 IKAARN Cc1ccc(S(=O)(=O)n2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 ZINC000008888408 569292043 /nfs/dbraw/zinc/29/20/43/569292043.db2.gz QPKNGXBKHMAHDL-UHFFFAOYSA-N 0 0 438.936 5.328 50 0 IKAARN CCCCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 ZINC000002383201 569293684 /nfs/dbraw/zinc/29/36/84/569293684.db2.gz DMBPKBHLISDXJB-UHFFFAOYSA-N 0 0 440.663 6.402 50 0 IKAARN Clc1ccccc1OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCCC1 ZINC000002383387 569293969 /nfs/dbraw/zinc/29/39/69/569293969.db2.gz YEYDIZVXOWQWDN-UHFFFAOYSA-N 0 0 430.939 5.782 50 0 IKAARN CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000002384508 569294239 /nfs/dbraw/zinc/29/42/39/569294239.db2.gz SBVROASOQQIFJD-NGQVCNFZSA-N 0 0 442.927 6.545 50 0 IKAARN C=Cc1ccc(COc2cc3oc(=O)c(CCC(=O)OCC)c(C)c3cc2Cl)cc1 ZINC000002385838 569294443 /nfs/dbraw/zinc/29/44/43/569294443.db2.gz HOBUYJPODNXVHJ-UHFFFAOYSA-N 0 0 426.896 5.473 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000002386126 569294445 /nfs/dbraw/zinc/29/44/45/569294445.db2.gz MPPVRTDMQFEUTO-UHFFFAOYSA-N 0 0 439.993 6.359 50 0 IKAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000009380772 569295953 /nfs/dbraw/zinc/29/59/53/569295953.db2.gz WWZAOROUYXTXRP-UHFFFAOYSA-N 0 0 429.332 5.177 50 0 IKAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000009445361 569296485 /nfs/dbraw/zinc/29/64/85/569296485.db2.gz AWBYWGQZDIVINZ-UHFFFAOYSA-N 0 0 449.359 5.066 50 0 IKAARN CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)n1 ZINC000027767748 569297598 /nfs/dbraw/zinc/29/75/98/569297598.db2.gz MBJQVJVCOBDOGU-GFCCVEGCSA-N 0 0 444.919 5.538 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 ZINC000002390473 569297661 /nfs/dbraw/zinc/29/76/61/569297661.db2.gz DNOCWJIAGGFHPZ-QGZVFWFLSA-N 0 0 447.558 5.299 50 0 IKAARN COc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 ZINC000002390404 569297766 /nfs/dbraw/zinc/29/77/66/569297766.db2.gz YCEOSHZOOKJJMS-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN COc1ccc([C@H](Nc2ccccc2)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000002391247 569297858 /nfs/dbraw/zinc/29/78/58/569297858.db2.gz XJCNDWJGARFDTN-OOWIMERYSA-N 0 0 438.508 5.901 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002394188 569298037 /nfs/dbraw/zinc/29/80/37/569298037.db2.gz TXOUSHXMHXHOCA-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN CCCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 ZINC000002393957 569298044 /nfs/dbraw/zinc/29/80/44/569298044.db2.gz FJXBMWBYSYTBFZ-UHFFFAOYSA-N 0 0 426.636 6.012 50 0 IKAARN CCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc21 ZINC000002394071 569298085 /nfs/dbraw/zinc/29/80/85/569298085.db2.gz AHXUDZQWHGUOOP-UHFFFAOYSA-N 0 0 430.508 5.096 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(CSc3nc4ccccc4s3)n2CC)n1 ZINC000027777795 569298178 /nfs/dbraw/zinc/29/81/78/569298178.db2.gz HOHUKQAUCFRTEE-GFCCVEGCSA-N 0 0 446.627 5.389 50 0 IKAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(F)cc2)o1 ZINC000002396224 569298415 /nfs/dbraw/zinc/29/84/15/569298415.db2.gz OPCHFKNCVNQVQC-SFHVURJKSA-N 0 0 429.517 5.310 50 0 IKAARN O=c1c2cc3c(nc2nc(SCc2ccccc2Cl)n1-c1ccccc1)CCCC3 ZINC000002396604 569298429 /nfs/dbraw/zinc/29/84/29/569298429.db2.gz OUKZFPKKUMTVDY-UHFFFAOYSA-N 0 0 433.964 5.605 50 0 IKAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cc(C)cc(C)c3)cc2oc1=O ZINC000002396603 569298435 /nfs/dbraw/zinc/29/84/35/569298435.db2.gz LFOWKNUQRFVQAP-UHFFFAOYSA-N 0 0 428.912 5.446 50 0 IKAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3cccc(Br)c3)cc12 ZINC000002398068 569298501 /nfs/dbraw/zinc/29/85/01/569298501.db2.gz BXUCGFPVHLFVNW-UHFFFAOYSA-N 0 0 426.339 5.719 50 0 IKAARN CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000002397099 569298543 /nfs/dbraw/zinc/29/85/43/569298543.db2.gz IMYGHLTWMWCXQE-QFIPXVFZSA-N 0 0 443.613 6.065 50 0 IKAARN Cc1cc2c3c(c1)-c1c(sn(-c4cccc5ccccc54)c1=S)C(C)(C)N3C(=O)C2=O ZINC000002397369 569298561 /nfs/dbraw/zinc/29/85/61/569298561.db2.gz QDJOVXAWLWGMMZ-UHFFFAOYSA-N 0 0 442.565 6.175 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 ZINC000002397401 569298606 /nfs/dbraw/zinc/29/86/06/569298606.db2.gz IZSAGAZPYRTUDK-UHFFFAOYSA-N 0 0 434.542 5.532 50 0 IKAARN CCCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@@](C)(CC)Cc2ccccc2-1 ZINC000002398032 569298617 /nfs/dbraw/zinc/29/86/17/569298617.db2.gz KLUGBCSZYOFXLH-SANMLTNESA-N 0 0 444.604 5.332 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2OCc2csc(C)n2)cc1 ZINC000009961902 569298642 /nfs/dbraw/zinc/29/86/42/569298642.db2.gz SDKGBCGNMNKHMK-RBNVVWFDSA-N 0 0 434.561 5.416 50 0 IKAARN CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 ZINC000002399473 569298978 /nfs/dbraw/zinc/29/89/78/569298978.db2.gz PNCAPBMRQSAXGP-NJHZRGNWSA-N 0 0 438.508 5.902 50 0 IKAARN CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc54)nc3C2)cc1 ZINC000002400696 569299495 /nfs/dbraw/zinc/29/94/95/569299495.db2.gz MZGVQGDTZMCBSS-OAQYLSRUSA-N 0 0 435.527 5.918 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 ZINC000002400671 569299545 /nfs/dbraw/zinc/29/95/45/569299545.db2.gz OCMDINBGLRIULH-UHFFFAOYSA-N 0 0 439.924 5.478 50 0 IKAARN CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 ZINC000002402073 569299645 /nfs/dbraw/zinc/29/96/45/569299645.db2.gz ILSDCUFGTUIAHJ-UHFFFAOYSA-N 0 0 430.456 5.649 50 0 IKAARN O=C(Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O)c1cccs1 ZINC000002404492 569300003 /nfs/dbraw/zinc/30/00/03/569300003.db2.gz KUYNDXUXOSVHHN-UHFFFAOYSA-N 0 0 427.275 5.503 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002405531 569300098 /nfs/dbraw/zinc/30/00/98/569300098.db2.gz BSXNBIBBHQASKV-HXUWFJFHSA-N 0 0 446.330 5.460 50 0 IKAARN O=C1C[C@@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000002406568 569300239 /nfs/dbraw/zinc/30/02/39/569300239.db2.gz DJTTTWUYTYLKEN-LQOCYXTFSA-N 0 0 434.322 5.924 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002406487 569300240 /nfs/dbraw/zinc/30/02/40/569300240.db2.gz AHTBHIBBFDTPNO-QFIPXVFZSA-N 0 0 437.561 5.184 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)cc1 ZINC000002408219 569300338 /nfs/dbraw/zinc/30/03/38/569300338.db2.gz HDGBVBKWUQVBPB-HSZRJFAPSA-N 0 0 445.902 5.243 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002407471 569300370 /nfs/dbraw/zinc/30/03/70/569300370.db2.gz XZKWLYBIFGTLHH-JOCHJYFZSA-N 0 0 431.463 5.568 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc32)cc1C ZINC000002407913 569300382 /nfs/dbraw/zinc/30/03/82/569300382.db2.gz GINDXKPYLXPPIA-UHFFFAOYSA-N 0 0 439.563 5.926 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O ZINC000002407902 569300388 /nfs/dbraw/zinc/30/03/88/569300388.db2.gz BGJNBFGUMUSOBB-HXUWFJFHSA-N 0 0 449.507 5.040 50 0 IKAARN COCCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002409276 569300487 /nfs/dbraw/zinc/30/04/87/569300487.db2.gz QEGCPMLLSBXWFL-UHFFFAOYSA-N 0 0 446.642 5.385 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)sc1C ZINC000002411246 569300947 /nfs/dbraw/zinc/30/09/47/569300947.db2.gz RUUVJZUSGUOEIA-IBGZPJMESA-N 0 0 436.920 5.578 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(Cl)c(C)c2)cc1 ZINC000002411946 569301082 /nfs/dbraw/zinc/30/10/82/569301082.db2.gz JDNKCQBRJKFKKO-UHFFFAOYSA-N 0 0 448.950 5.893 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002412015 569301090 /nfs/dbraw/zinc/30/10/90/569301090.db2.gz CAGPMJLKUSAECK-FQEVSTJZSA-N 0 0 446.330 5.460 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000002413513 569301101 /nfs/dbraw/zinc/30/11/01/569301101.db2.gz JRXQQYVRXQKGDY-UHFFFAOYSA-N 0 0 445.744 6.215 50 0 IKAARN O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)Nc1ccc2ccccc2c1 ZINC000002413458 569301117 /nfs/dbraw/zinc/30/11/17/569301117.db2.gz YRDAGILYHKVILP-UHFFFAOYSA-N 0 0 444.359 6.972 50 0 IKAARN CCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000002413432 569301168 /nfs/dbraw/zinc/30/11/68/569301168.db2.gz VCAPVZUGPIBHMJ-UHFFFAOYSA-N 0 0 436.581 5.197 50 0 IKAARN O=C(CCc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000002413387 569301193 /nfs/dbraw/zinc/30/11/93/569301193.db2.gz HSJLTYFEXFXBIN-GOTSBHOMSA-N 0 0 441.510 5.135 50 0 IKAARN CCOc1ccccc1Oc1c(=O)c2ccc(OC(=O)N(C)C)cc2oc1C(F)(F)F ZINC000002412947 569301197 /nfs/dbraw/zinc/30/11/97/569301197.db2.gz 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CCCNC(=O)c1c(-c2ccc(F)cc2)c2c3n1cc(-c1ccc(F)cc1)n3CCCC2 ZINC000002418382 569301634 /nfs/dbraw/zinc/30/16/34/569301634.db2.gz ILWLGMOMNMCVEG-UHFFFAOYSA-N 0 0 433.502 5.829 50 0 IKAARN Cc1oc2cc(OC(=O)c3ccccc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002417737 569301649 /nfs/dbraw/zinc/30/16/49/569301649.db2.gz DDUHZPQSSGLJCU-UHFFFAOYSA-N 0 0 425.267 6.294 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 ZINC000002418966 569301778 /nfs/dbraw/zinc/30/17/78/569301778.db2.gz GEAPGPKMAILGQR-JOCHJYFZSA-N 0 0 446.890 5.380 50 0 IKAARN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(NCc2ccco2)n1)CCC4 ZINC000002419857 569301900 /nfs/dbraw/zinc/30/19/00/569301900.db2.gz OTPCVBDHLNYUSF-UHFFFAOYSA-N 0 0 444.585 6.322 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(CCCOC(C)C)C3=O ZINC000002420920 569301967 /nfs/dbraw/zinc/30/19/67/569301967.db2.gz XCSOXBHEYUGDMD-XMMPIXPASA-N 0 0 447.575 5.759 50 0 IKAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)s1 ZINC000002421926 569302146 /nfs/dbraw/zinc/30/21/46/569302146.db2.gz NLLRERCLVYWIBR-MRXNPFEDSA-N 0 0 444.299 5.010 50 0 IKAARN COc1ccccc1Oc1coc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O ZINC000002421449 569302161 /nfs/dbraw/zinc/30/21/61/569302161.db2.gz OMDCARWTKICQFH-UHFFFAOYSA-N 0 0 426.827 5.965 50 0 IKAARN CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002423418 569302226 /nfs/dbraw/zinc/30/22/26/569302226.db2.gz FZHMDEXBEJQKPS-BJKOFHAPSA-N 0 0 442.519 5.352 50 0 IKAARN CCCc1nc2sc3c(ncnc3NCCc3ccc(OC)c(OC)c3)c2c2c1CCC2 ZINC000002422886 569302282 /nfs/dbraw/zinc/30/22/82/569302282.db2.gz KXXUMUWGRTWPIB-UHFFFAOYSA-N 0 0 448.592 5.353 50 0 IKAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002426602 569302545 /nfs/dbraw/zinc/30/25/45/569302545.db2.gz LZMZNQMMORDTJC-NRFANRHFSA-N 0 0 446.528 5.405 50 0 IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(NC[C@H]2CCCO2)n1)CCC4 ZINC000002426689 569302559 /nfs/dbraw/zinc/30/25/59/569302559.db2.gz JQGNBPXFPCDJSF-CYBMUJFWSA-N 0 0 428.627 5.240 50 0 IKAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000002427781 569302726 /nfs/dbraw/zinc/30/27/26/569302726.db2.gz YRJSSEWHYUFVCK-AWEZNQCLSA-N 0 0 432.373 5.891 50 0 IKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](Nc1ccccc1)c1ccccc1F ZINC000002427973 569302769 /nfs/dbraw/zinc/30/27/69/569302769.db2.gz MLLJCSMRUWQZDX-RUZDIDTESA-N 0 0 445.515 7.828 50 0 IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 ZINC000011865062 569303079 /nfs/dbraw/zinc/30/30/79/569303079.db2.gz SFTNRGMKKWFURV-UHFFFAOYSA-N 0 0 434.419 5.480 50 0 IKAARN Cc1oc2cc(OCC(=O)C(C)(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000011868349 569303098 /nfs/dbraw/zinc/30/30/98/569303098.db2.gz UAYSFNPOZRPAJO-UHFFFAOYSA-N 0 0 429.310 5.525 50 0 IKAARN O=c1cc(-c2cc3cc(Br)ccc3o2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000011869905 569303327 /nfs/dbraw/zinc/30/33/27/569303327.db2.gz SXSQMVJMCBALAW-UHFFFAOYSA-N 0 0 433.257 6.341 50 0 IKAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(SCCO)n1 ZINC000002433906 569303451 /nfs/dbraw/zinc/30/34/51/569303451.db2.gz OJAHMPGLPXJXKG-UHFFFAOYSA-N 0 0 435.640 5.021 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@H]1CCCO1)C3=O ZINC000002432322 569303547 /nfs/dbraw/zinc/30/35/47/569303547.db2.gz LJHIHQBNTUFWAO-YKSBVNFPSA-N 0 0 445.559 5.432 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002432326 569303558 /nfs/dbraw/zinc/30/35/58/569303558.db2.gz LJHIHQBNTUFWAO-RDPSFJRHSA-N 0 0 445.559 5.432 50 0 IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(NCc2ccccc2)n1)CCC4 ZINC000002434596 569303714 /nfs/dbraw/zinc/30/37/14/569303714.db2.gz TVZGKTNSKHJYKM-UHFFFAOYSA-N 0 0 434.634 6.261 50 0 IKAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc(O)cc3)sc2c1 ZINC000002435973 569303808 /nfs/dbraw/zinc/30/38/08/569303808.db2.gz OSBDJMGWIOWAJN-OAQYLSRUSA-N 0 0 440.480 5.167 50 0 IKAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000002435971 569303834 /nfs/dbraw/zinc/30/38/34/569303834.db2.gz 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Cc1occc1-c1nnc(SCC(=O)N[C@H](C)CCCC(C)C)n1-c1ccccc1 ZINC000007941642 569304517 /nfs/dbraw/zinc/30/45/17/569304517.db2.gz WMCKTHRPVBNEAG-QGZVFWFLSA-N 0 0 426.586 5.259 50 0 IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc(N(CC)CC)cc2)n1 ZINC000002449426 569304670 /nfs/dbraw/zinc/30/46/70/569304670.db2.gz BNNDHQCNUBARNX-UHFFFAOYSA-N 0 0 434.565 5.515 50 0 IKAARN 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 ZINC000012656466 569304686 /nfs/dbraw/zinc/30/46/86/569304686.db2.gz PMBSWZWCNKVWLV-UQHMECIDSA-N 0 0 442.684 7.139 50 0 biogenic IKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000002448851 569304708 /nfs/dbraw/zinc/30/47/08/569304708.db2.gz FRYMHDPZKZJDNI-UHFFFAOYSA-N 0 0 432.332 5.976 50 0 IKAARN COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000012952923 569305148 /nfs/dbraw/zinc/30/51/48/569305148.db2.gz IFITXCVHHJBNMO-KPKJPENVSA-N 0 0 428.315 6.233 50 0 IKAARN Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000012958551 569305256 /nfs/dbraw/zinc/30/52/56/569305256.db2.gz FXTBTLCJZYWPIM-UHFFFAOYSA-N 0 0 432.379 5.117 50 0 IKAARN FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1ccc(Cl)c(Cl)c1 ZINC000012956523 569305294 /nfs/dbraw/zinc/30/52/94/569305294.db2.gz OOAUMYZKZLHFBC-UHFFFAOYSA-N 0 0 428.024 7.055 50 0 IKAARN O=C(c1cc2cc(Br)cc(Br)c2o1)c1ccc(Cl)cc1Cl ZINC000012956360 569305304 /nfs/dbraw/zinc/30/53/04/569305304.db2.gz NAHUZCNIRAUXJZ-UHFFFAOYSA-N 0 0 448.925 6.496 50 0 IKAARN O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1cccc(Cl)c1 ZINC000012956875 569305329 /nfs/dbraw/zinc/30/53/29/569305329.db2.gz VARKACDAXXMSFI-FMIVXFBMSA-N 0 0 430.306 6.041 50 0 IKAARN COc1ccccc1[C@H]1SCC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000002451936 569305537 /nfs/dbraw/zinc/30/55/37/569305537.db2.gz LUZQTDPKABVXEN-XMMPIXPASA-N 0 0 427.529 5.323 50 0 IKAARN CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(NC[C@H]2CCCO2)n1 ZINC000002452296 569305540 /nfs/dbraw/zinc/30/55/40/569305540.db2.gz SMAYSQUOVNTQRD-GFCCVEGCSA-N 0 0 438.578 5.301 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 ZINC000002451313 569305563 /nfs/dbraw/zinc/30/55/63/569305563.db2.gz MELNCSQLWODLBZ-MUUNZHRXSA-N 0 0 449.566 6.192 50 0 IKAARN COc1cc2cc(C3=NN(C(=O)C(C)C)[C@H](c4ccccc4)C3)c(Cl)nc2cc1OC ZINC000012981290 569305806 /nfs/dbraw/zinc/30/58/06/569305806.db2.gz AHAPMIXXOVRRQF-FQEVSTJZSA-N 0 0 437.927 5.239 50 0 IKAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4Cl)cc3)nn2)n1 ZINC000013009849 569306573 /nfs/dbraw/zinc/30/65/73/569306573.db2.gz VBKOPRNEYVBWMG-UHFFFAOYSA-N 0 0 436.878 5.068 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3cccc(SC)c3)cs2)cc(OC)c1 ZINC000013010368 569306870 /nfs/dbraw/zinc/30/68/70/569306870.db2.gz KAVYFMBYWRTKLP-UHFFFAOYSA-N 0 0 446.619 5.356 50 0 IKAARN Cc1cc(C)c(NC(=O)CCCS[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(C)c1 ZINC000013012344 569306898 /nfs/dbraw/zinc/30/68/98/569306898.db2.gz QVQQLHORYFTWEC-HXUWFJFHSA-N 0 0 426.626 6.214 50 0 IKAARN COc1cc(CSc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc(OC)c1 ZINC000013010355 569306916 /nfs/dbraw/zinc/30/69/16/569306916.db2.gz WTDDHXADMCLGAN-UHFFFAOYSA-N 0 0 428.579 5.251 50 0 IKAARN COc1ccc(CNC(=O)CSc2cc(-c3ccccc3)c3ccc(OC)cc3n2)cc1 ZINC000013015283 569307005 /nfs/dbraw/zinc/30/70/05/569307005.db2.gz PEFJUMRPNFQGED-UHFFFAOYSA-N 0 0 444.556 5.328 50 0 IKAARN CCC(CC)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1 ZINC000013014785 569307038 /nfs/dbraw/zinc/30/70/38/569307038.db2.gz LDMHMNCSYRLFLS-LVZFUZTISA-N 0 0 442.559 5.573 50 0 IKAARN COc1ccc(C2=NN(C(=O)C(C)(C)C)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000013014102 569307042 /nfs/dbraw/zinc/30/70/42/569307042.db2.gz IPZMWIRCPLXIMQ-OAQYLSRUSA-N 0 0 435.955 5.929 50 0 IKAARN Cc1ccc2cc(CSc3nnc(Cc4cccs4)n3C3CC3)c(Cl)nc2c1C ZINC000013017615 569307236 /nfs/dbraw/zinc/30/72/36/569307236.db2.gz WUNBGJBCJPZGAW-UHFFFAOYSA-N 0 0 441.025 6.376 50 0 IKAARN CCn1c(C)nc2cc(-c3nnc(Nc4cc(C(F)(F)F)ccc4Cl)s3)ccc21 ZINC000013028362 569307352 /nfs/dbraw/zinc/30/73/52/569307352.db2.gz SIHREUPJDSCZMG-UHFFFAOYSA-N 0 0 437.878 6.299 50 0 IKAARN Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@@H](c3ccccc3F)C2)cc1 ZINC000013027658 569307385 /nfs/dbraw/zinc/30/73/85/569307385.db2.gz JJAVNCYWRNYGMF-JOCHJYFZSA-N 0 0 437.312 5.888 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(OC(F)F)cc1)CC2 ZINC000013041214 569308175 /nfs/dbraw/zinc/30/81/75/569308175.db2.gz XNAUXACLPKOTCF-QHCPKHFHSA-N 0 0 439.458 5.093 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000013040929 569308177 /nfs/dbraw/zinc/30/81/77/569308177.db2.gz NDYZCJYDSGUEPW-UHFFFAOYSA-N 0 0 442.562 7.692 50 0 IKAARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000013040963 569308187 /nfs/dbraw/zinc/30/81/87/569308187.db2.gz WQDKGTKKBBSGFI-CYBMUJFWSA-N 0 0 433.426 5.515 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1c(F)cccc1Cl)CC2 ZINC000013042204 569308244 /nfs/dbraw/zinc/30/82/44/569308244.db2.gz DRHCWAAQYJNXRW-VWLOTQADSA-N 0 0 439.914 5.213 50 0 IKAARN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000013058821 569308510 /nfs/dbraw/zinc/30/85/10/569308510.db2.gz HIXJVIJVRBFZFX-UHFFFAOYSA-N 0 0 449.765 6.510 50 0 IKAARN CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc(OCC)c1OCC ZINC000013059699 569308547 /nfs/dbraw/zinc/30/85/47/569308547.db2.gz GRPNLHABTDCVLQ-UHFFFAOYSA-N 0 0 440.462 5.220 50 0 IKAARN CCN(CC(=O)Nc1cccc(Cl)c1Cl)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000013058641 569308559 /nfs/dbraw/zinc/30/85/59/569308559.db2.gz LUWPTVSSRMWHFK-UHFFFAOYSA-N 0 0 449.165 5.199 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3ccccc3OC(F)F)n2)cc1 ZINC000013063008 569308663 /nfs/dbraw/zinc/30/86/63/569308663.db2.gz BGLDIOSMDUEJSB-CYBMUJFWSA-N 0 0 446.475 5.158 50 0 IKAARN CN(Cc1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013068809 569308880 /nfs/dbraw/zinc/30/88/80/569308880.db2.gz TURVVGRYOJHXBG-OAQYLSRUSA-N 0 0 432.873 6.171 50 0 IKAARN COc1ccc(CN(Cc2cccs2)C(=O)COc2ccc(Cl)cc2)cc1OC ZINC000013075424 569309200 /nfs/dbraw/zinc/30/92/00/569309200.db2.gz WUIYUWDGOVDCOK-UHFFFAOYSA-N 0 0 431.941 5.027 50 0 IKAARN CCCCCCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000013075844 569309275 /nfs/dbraw/zinc/30/92/75/569309275.db2.gz PVKCOKFRMIJKAF-AWEZNQCLSA-N 0 0 435.515 6.153 50 0 IKAARN COc1ccc(CN(C)Cn2nc(-c3ccccc3Cl)n(C3CCCC3)c2=S)cc1 ZINC000013096078 569309436 /nfs/dbraw/zinc/30/94/36/569309436.db2.gz MQOLKMAEXWOKFJ-UHFFFAOYSA-N 0 0 443.016 5.948 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c2cc1C(C)C ZINC000013096037 569309458 /nfs/dbraw/zinc/30/94/58/569309458.db2.gz IDQZIVWTCLSNIQ-UHFFFAOYSA-N 0 0 442.441 5.645 50 0 IKAARN CCOc1ccc(C(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000013098216 569309797 /nfs/dbraw/zinc/30/97/97/569309797.db2.gz PGDDNHFNGYSGMG-UHFFFAOYSA-N 0 0 448.302 5.054 50 0 IKAARN Cc1sc2nc(C)nc(SCc3cn(-c4ccccc4)nc3-c3ccccc3)c2c1C ZINC000013098452 569309900 /nfs/dbraw/zinc/30/99/00/569309900.db2.gz RJZQDDQKKPHNQW-UHFFFAOYSA-N 0 0 442.613 6.762 50 0 IKAARN CC(C)CCn1c(SC/C=C/Cl)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000013098548 569309907 /nfs/dbraw/zinc/30/99/07/569309907.db2.gz XOIZHAGHFZENAG-RIYZIHGNSA-N 0 0 449.023 7.051 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000013098412 569309922 /nfs/dbraw/zinc/30/99/22/569309922.db2.gz LZJPZRASLCBUEO-TXEJJXNPSA-N 0 0 446.520 5.062 50 0 IKAARN Cc1cc(OCC(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)ccc1C(C)C ZINC000013098255 569309930 /nfs/dbraw/zinc/30/99/30/569309930.db2.gz DBTSHSXHZCHQHF-QHCPKHFHSA-N 0 0 432.589 5.988 50 0 IKAARN COc1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1OCc1c(C)noc1C ZINC000013100804 569310011 /nfs/dbraw/zinc/31/00/11/569310011.db2.gz YDDMIHDRSIFRGW-UHFFFAOYSA-N 0 0 436.291 5.543 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)n2)cc1C ZINC000013102034 569310036 /nfs/dbraw/zinc/31/00/36/569310036.db2.gz AJYSKXXYAYVQRD-UHFFFAOYSA-N 0 0 434.517 5.168 50 0 IKAARN COc1ccc(-c2csc3ncnc(N[C@H](C)c4ccc(Cl)cc4Cl)c23)cc1 ZINC000013102774 569310123 /nfs/dbraw/zinc/31/01/23/569310123.db2.gz DMZZPCSIWFABOE-GFCCVEGCSA-N 0 0 430.360 6.847 50 0 IKAARN Cc1ccc(N(C(=O)C[C@H]2Oc3ccccc3NC2=O)c2nc3ccccc3s2)cc1F ZINC000013109301 569310282 /nfs/dbraw/zinc/31/02/82/569310282.db2.gz XDYHKAVIMGJEEA-HXUWFJFHSA-N 0 0 447.491 5.198 50 0 IKAARN Cc1ccc(-c2nc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cs2)cc1 ZINC000013109970 569310347 /nfs/dbraw/zinc/31/03/47/569310347.db2.gz PQHXRQCMGGQUJB-UHFFFAOYSA-N 0 0 439.540 5.114 50 0 IKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000013110200 569310437 /nfs/dbraw/zinc/31/04/37/569310437.db2.gz IFPQFRSGJCGQQE-UHFFFAOYSA-N 0 0 425.703 5.143 50 0 IKAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1cccc(Cl)c1 ZINC000013115782 569310866 /nfs/dbraw/zinc/31/08/66/569310866.db2.gz JCKBSBWDSVRXSO-ZDUSSCGKSA-N 0 0 448.375 5.862 50 0 IKAARN CCc1ccc(-c2nc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)n[nH]2)cc1 ZINC000013116984 569310932 /nfs/dbraw/zinc/31/09/32/569310932.db2.gz OTZBJWXGZAFWLC-UHFFFAOYSA-N 0 0 438.578 5.467 50 0 IKAARN O=Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000013139387 569311621 /nfs/dbraw/zinc/31/16/21/569311621.db2.gz NBOBGBQOWWSZBX-AREMUKBSSA-N 0 0 434.495 5.409 50 0 IKAARN CN(Cc1ccc(C(C)(C)C)cc1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013140056 569311660 /nfs/dbraw/zinc/31/16/60/569311660.db2.gz ZIEVHIDFSZVYFJ-RUZDIDTESA-N 0 0 436.621 5.136 50 0 IKAARN O=C(COc1ccc(C2SCCS2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000013138022 569311706 /nfs/dbraw/zinc/31/17/06/569311706.db2.gz FHNYCASJTSWTMC-UHFFFAOYSA-N 0 0 435.614 5.773 50 0 IKAARN COc1ccccc1C(=O)COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc21 ZINC000013138060 569311710 /nfs/dbraw/zinc/31/17/10/569311710.db2.gz REFAOLRNWJAVKS-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN Cc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1 ZINC000013141703 569311739 /nfs/dbraw/zinc/31/17/39/569311739.db2.gz AUFXGXMNQXPWCQ-UHFFFAOYSA-N 0 0 425.937 5.904 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000013141024 569311813 /nfs/dbraw/zinc/31/18/13/569311813.db2.gz FBZOOEQHBACOFF-UHFFFAOYSA-N 0 0 442.968 5.030 50 0 IKAARN COc1ccc(OCCCOC(=O)c2sc3c(ccc(OC)c3Cl)c2Cl)cc1 ZINC000013145727 569311863 /nfs/dbraw/zinc/31/18/63/569311863.db2.gz YFBYFXUYQNFWCZ-UHFFFAOYSA-N 0 0 441.332 5.851 50 0 IKAARN c1ccc2c(c1)ncnc2SCc1ccc(CSc2ncnc3ccccc32)cc1 ZINC000013145740 569311953 /nfs/dbraw/zinc/31/19/53/569311953.db2.gz PDXSKEDFWPTOCN-UHFFFAOYSA-N 0 0 426.570 6.158 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(C)(C)C)cc3)c3ccccc3n2)o1 ZINC000013148377 569312001 /nfs/dbraw/zinc/31/20/01/569312001.db2.gz XILZGGPTLZKDSC-UHFFFAOYSA-N 0 0 442.515 5.896 50 0 IKAARN CCN(C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21)c1cccc2ccccc21 ZINC000013148914 569312122 /nfs/dbraw/zinc/31/21/22/569312122.db2.gz LHXDZQVMRASIOL-UHFFFAOYSA-N 0 0 439.342 6.435 50 0 IKAARN Cc1cc(C)cc(NC(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1 ZINC000013148807 569312164 /nfs/dbraw/zinc/31/21/64/569312164.db2.gz WIIKXLGHCNAYEJ-UHFFFAOYSA-N 0 0 447.318 5.028 50 0 IKAARN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000013149497 569312255 /nfs/dbraw/zinc/31/22/55/569312255.db2.gz WIHBIUJEKANNIK-UHFFFAOYSA-N 0 0 430.287 5.259 50 0 IKAARN O=C([C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1)N1CCOCC1 ZINC000013163420 569312398 /nfs/dbraw/zinc/31/23/98/569312398.db2.gz XDWDIDSNYGNRMF-NRFANRHFSA-N 0 0 447.585 5.051 50 0 IKAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000013164941 569312488 /nfs/dbraw/zinc/31/24/88/569312488.db2.gz BWDDMWNBDVZVGT-UHFFFAOYSA-N 0 0 433.002 5.000 50 0 IKAARN COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2ccncc2)cc1 ZINC000013283355 569312595 /nfs/dbraw/zinc/31/25/95/569312595.db2.gz KHXSPVKQSAJUQU-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN O=C(C1CCCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(F)cc1 ZINC000002456321 569312596 /nfs/dbraw/zinc/31/25/96/569312596.db2.gz ZERIXBCOBPAKFX-OAQYLSRUSA-N 0 0 445.332 5.039 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(C)cc21)Cc1ccncc1 ZINC000013283353 569312599 /nfs/dbraw/zinc/31/25/99/569312599.db2.gz WJFXHBJQNTZLBC-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccc(F)cc1 ZINC000013283348 569312603 /nfs/dbraw/zinc/31/26/03/569312603.db2.gz AJPCAFSDOMJVSF-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(C)cc21)Cc1cccnc1 ZINC000013283344 569312616 /nfs/dbraw/zinc/31/26/16/569312616.db2.gz VSRPTHPJUWFYIK-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccccc1C ZINC000013283343 569312626 /nfs/dbraw/zinc/31/26/26/569312626.db2.gz JMJPJDDQURATII-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN O=C(CC1CCCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002456504 569312712 /nfs/dbraw/zinc/31/27/12/569312712.db2.gz FGLJFJYJVUVMCH-QHCPKHFHSA-N 0 0 441.369 5.290 50 0 IKAARN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000013284037 569312740 /nfs/dbraw/zinc/31/27/40/569312740.db2.gz WMLBWKDZOAUPEG-UHFFFAOYSA-N 0 0 427.835 5.155 50 0 IKAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013284020 569312745 /nfs/dbraw/zinc/31/27/45/569312745.db2.gz ZJDSCDZKROWSIS-UHFFFAOYSA-N 0 0 439.890 5.892 50 0 IKAARN Cc1ccccc1N[P@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 ZINC000013302902 569312815 /nfs/dbraw/zinc/31/28/15/569312815.db2.gz INFZMVLEMWUBQA-JGCGQSQUSA-N 0 0 448.551 6.994 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)nc2ccccc21 ZINC000013348339 569313000 /nfs/dbraw/zinc/31/30/00/569313000.db2.gz JNLYHOOWBSUGPM-UHFFFAOYSA-N 0 0 428.536 5.802 50 0 IKAARN COC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000013346842 569313032 /nfs/dbraw/zinc/31/30/32/569313032.db2.gz TUMRWESTHBYDJM-UHFFFAOYSA-N 0 0 437.908 6.047 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2CC)cc1 ZINC000013348286 569313036 /nfs/dbraw/zinc/31/30/36/569313036.db2.gz QWOCYBNMXGKDKO-UHFFFAOYSA-N 0 0 428.536 5.884 50 0 IKAARN COCCCNc1c(-c2cc(OC)c(O)c(OC)c2)nc2sc3cc(Cl)ccc3n21 ZINC000013347374 569313040 /nfs/dbraw/zinc/31/30/40/569313040.db2.gz YXZUHYQUNVWPJO-UHFFFAOYSA-N 0 0 447.944 5.041 50 0 IKAARN COc1ccc(OC)c(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c1 ZINC000013348421 569313054 /nfs/dbraw/zinc/31/30/54/569313054.db2.gz GITLQHOREQGICG-UHFFFAOYSA-N 0 0 430.508 5.020 50 0 IKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1Br ZINC000013346896 569313060 /nfs/dbraw/zinc/31/30/60/569313060.db2.gz XVQAHOBAYUCPME-UHFFFAOYSA-N 0 0 438.350 6.678 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)nc2ccccc21 ZINC000013348327 569313089 /nfs/dbraw/zinc/31/30/89/569313089.db2.gz DFGRUOZUEZDKAO-UHFFFAOYSA-N 0 0 444.535 5.503 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3CC)cc2)cc1 ZINC000013348290 569313101 /nfs/dbraw/zinc/31/31/01/569313101.db2.gz ITLIKNBGCPISSZ-UHFFFAOYSA-N 0 0 428.536 5.884 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1 ZINC000013348533 569313128 /nfs/dbraw/zinc/31/31/28/569313128.db2.gz FPFJXYQQGCYOBS-UHFFFAOYSA-N 0 0 446.554 6.763 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000013355433 569313564 /nfs/dbraw/zinc/31/35/64/569313564.db2.gz XFQKJPMIQHHDNI-UHFFFAOYSA-N 0 0 442.540 5.084 50 0 IKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000013356408 569313658 /nfs/dbraw/zinc/31/36/58/569313658.db2.gz OKEOZRFNWSHWIP-UHFFFAOYSA-N 0 0 446.348 6.171 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000013358298 569313740 /nfs/dbraw/zinc/31/37/40/569313740.db2.gz VFJWEIFUHKDHCI-UHFFFAOYSA-N 0 0 433.533 5.403 50 0 IKAARN COc1ccc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)c(OC)c1 ZINC000013358370 569313757 /nfs/dbraw/zinc/31/37/57/569313757.db2.gz XEDIKQDFRXQSHM-UHFFFAOYSA-N 0 0 434.427 5.204 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cc(C)ccc4C)ccc32)cc1 ZINC000013359594 569313849 /nfs/dbraw/zinc/31/38/49/569313849.db2.gz QEVCPYQHFMMPJY-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4ccc(Cl)cc4)ccc32)cc1 ZINC000013359582 569313864 /nfs/dbraw/zinc/31/38/64/569313864.db2.gz JJFKWSONMOOATK-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cccc(Cl)c4)ccc32)cc1 ZINC000013359576 569313916 /nfs/dbraw/zinc/31/39/16/569313916.db2.gz NIXVJZUHXXRVME-UHFFFAOYSA-N 0 0 441.940 5.044 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360660 569313948 /nfs/dbraw/zinc/31/39/48/569313948.db2.gz WHOZKTDYKUHCIJ-UHFFFAOYSA-N 0 0 434.517 5.435 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Cc4ccccc4C)cc3)c(=O)[nH]c2cc1C ZINC000013360977 569313967 /nfs/dbraw/zinc/31/39/67/569313967.db2.gz GTAAAPCMJLQRQS-UHFFFAOYSA-N 0 0 443.572 5.322 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccccc4F)cc3)c(=O)[nH]c2cc1C ZINC000013360962 569313973 /nfs/dbraw/zinc/31/39/73/569313973.db2.gz BWBYPBUHMBKOFL-UHFFFAOYSA-N 0 0 433.508 5.224 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)c4cccc(F)c4)cc3)c(=O)[nH]c2cc1C ZINC000013360904 569313980 /nfs/dbraw/zinc/31/39/80/569313980.db2.gz RXFGBIFBSANYKI-UHFFFAOYSA-N 0 0 433.508 5.224 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(SCc3nc4cc(C)c(C)cc4[nH]c3=O)cc2)c1 ZINC000013360929 569313983 /nfs/dbraw/zinc/31/39/83/569313983.db2.gz LVGBQGNSNJWGJT-UHFFFAOYSA-N 0 0 445.544 5.093 50 0 IKAARN CC(C)(C)OC(=O)N1CCC2(CC1)N=C(SCc1ccccc1)C(c1cccs1)=N2 ZINC000013363045 569314129 /nfs/dbraw/zinc/31/41/29/569314129.db2.gz WNAJINJWOBRDIF-UHFFFAOYSA-N 0 0 441.622 5.610 50 0 IKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1cccc(C(F)(F)F)c1 ZINC000013368896 569314682 /nfs/dbraw/zinc/31/46/82/569314682.db2.gz RFNDMILYYZFSDR-UHFFFAOYSA-N 0 0 429.829 6.014 50 0 IKAARN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369152 569314683 /nfs/dbraw/zinc/31/46/83/569314683.db2.gz SKZJZTACDLSHIL-CQSZACIVSA-N 0 0 443.856 6.575 50 0 IKAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369206 569314707 /nfs/dbraw/zinc/31/47/07/569314707.db2.gz FHGDRPSRBIGOCT-HNNXBMFYSA-N 0 0 433.895 5.328 50 0 IKAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369210 569314709 /nfs/dbraw/zinc/31/47/09/569314709.db2.gz QSQYITXWERUFQT-KRWDZBQOSA-N 0 0 442.950 5.758 50 0 IKAARN O=C(Nc1cccc(F)c1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000013368776 569314715 /nfs/dbraw/zinc/31/47/15/569314715.db2.gz DZMKNHXQKURILY-QHCPKHFHSA-N 0 0 437.877 6.279 50 0 IKAARN O=C(Nc1cccc(F)c1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000013368778 569314728 /nfs/dbraw/zinc/31/47/28/569314728.db2.gz DZMKNHXQKURILY-HSZRJFAPSA-N 0 0 437.877 6.279 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013369188 569314734 /nfs/dbraw/zinc/31/47/34/569314734.db2.gz BLHGXLQHAWBNKP-INIZCTEOSA-N 0 0 447.922 5.733 50 0 IKAARN CC[C@H](C(=O)NC[C@@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369399 569314826 /nfs/dbraw/zinc/31/48/26/569314826.db2.gz BROOFPXSUTYWNK-WZONZLPQSA-N 0 0 431.967 6.228 50 0 IKAARN CCCC(=O)N1c2nc(-c3ccc(Cl)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369901 569314875 /nfs/dbraw/zinc/31/48/75/569314875.db2.gz DAZGFHNYIYSJTO-UXHICEINSA-N 0 0 426.992 5.963 50 0 biogenic IKAARN CC(C)c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000013370062 569314878 /nfs/dbraw/zinc/31/48/78/569314878.db2.gz GLBNAJASGSPFDC-UXHICEINSA-N 0 0 426.992 5.934 50 0 biogenic IKAARN O=C(c1ccc(F)cc1)N1c2nc(-c3cccnc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370129 569314920 /nfs/dbraw/zinc/31/49/20/569314920.db2.gz WQABTZWJVCVUPM-YADHBBJMSA-N 0 0 445.542 5.358 50 0 biogenic IKAARN O=C(c1ccco1)N1c2nc(-c3ccc(F)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375900 569315220 /nfs/dbraw/zinc/31/52/20/569315220.db2.gz IHCCUNFDMUGHFD-UXHICEINSA-N 0 0 434.515 5.556 50 0 biogenic IKAARN Cc1ccc(N2C(=O)CC[C@@H](c3nc(Cc4cccnc4)no3)[C@H]2c2cccs2)cc1 ZINC000328590502 569316828 /nfs/dbraw/zinc/31/68/28/569316828.db2.gz QSXGHVAJSHVUSP-XXBNENTESA-N 0 0 430.533 5.077 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000328590131 569316829 /nfs/dbraw/zinc/31/68/29/569316829.db2.gz LCRKRWRCBQQCLC-GOSISDBHSA-N 0 0 442.934 5.286 50 0 IKAARN COc1ccc(Cl)cc1CSC1=N[C@](C)(c2ccc(Br)cc2)C(=O)N1 ZINC000328593156 569317343 /nfs/dbraw/zinc/31/73/43/569317343.db2.gz LFXQRCASGQTNOL-GOSISDBHSA-N 0 0 439.762 5.586 50 0 IKAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000328596961 569317986 /nfs/dbraw/zinc/31/79/86/569317986.db2.gz BWRWYEOGJYVOFW-HHHXNRCGSA-N 0 0 434.543 5.854 50 0 IKAARN COc1cc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)C(C)C)cc2c(OC)c1 ZINC000328597040 569318011 /nfs/dbraw/zinc/31/80/11/569318011.db2.gz CSBYYNYAORIWDK-OAQYLSRUSA-N 0 0 437.927 5.239 50 0 IKAARN CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1cc2cccc(OC)c2nc1Cl ZINC000328598164 569318095 /nfs/dbraw/zinc/31/80/95/569318095.db2.gz KPCVOGNALUMUKN-SFHVURJKSA-N 0 0 428.319 5.638 50 0 IKAARN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 ZINC000328597652 569318102 /nfs/dbraw/zinc/31/81/02/569318102.db2.gz IMGGMZZCKDWINN-GOSISDBHSA-N 0 0 445.585 5.103 50 0 IKAARN CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1cc2cccc(OC)c2nc1Cl ZINC000328598163 569318119 /nfs/dbraw/zinc/31/81/19/569318119.db2.gz KPCVOGNALUMUKN-GOSISDBHSA-N 0 0 428.319 5.638 50 0 IKAARN CCOc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019321547 569318266 /nfs/dbraw/zinc/31/82/66/569318266.db2.gz GGJWITYGHLIHPJ-AREMUKBSSA-N 0 0 438.974 6.203 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1Cl ZINC000019321532 569318268 /nfs/dbraw/zinc/31/82/68/569318268.db2.gz WOSAUWOLWBWDQO-XMMPIXPASA-N 0 0 429.366 6.458 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1Cl ZINC000019321524 569318323 /nfs/dbraw/zinc/31/83/23/569318323.db2.gz WNGZIEJXKZXDST-XMMPIXPASA-N 0 0 447.356 6.597 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2ccccc2F)[C@@H]1c1cccc(Br)c1 ZINC000019330514 569318392 /nfs/dbraw/zinc/31/83/92/569318392.db2.gz NMXRSRGLPQNMHA-XMMPIXPASA-N 0 0 439.372 5.913 50 0 IKAARN Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)[C@H]2c2c(Cl)cccc2Cl)cc1 ZINC000019330454 569318493 /nfs/dbraw/zinc/31/84/93/569318493.db2.gz XMOWHKYDNAIDIO-HSZRJFAPSA-N 0 0 449.784 6.803 50 0 IKAARN Fc1ccc(CN2CCCN(Cc3cccc(Cl)c3)[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000019330583 569318581 /nfs/dbraw/zinc/31/85/81/569318581.db2.gz DNHRLPOKGHHJKN-DEOSSOPVSA-N 0 0 447.356 6.678 50 0 IKAARN Fc1ccc(CN2CCCN(Cc3cccc(Cl)c3)[C@H]2c2ccccc2Cl)cc1 ZINC000019330588 569318597 /nfs/dbraw/zinc/31/85/97/569318597.db2.gz FLYDXCNYZKZQBQ-DEOSSOPVSA-N 0 0 429.366 6.539 50 0 IKAARN Cc1ccccc1-c1cc(NC(=O)CSCc2ccccn2)n(Cc2ccccc2)n1 ZINC000078729294 569318706 /nfs/dbraw/zinc/31/87/06/569318706.db2.gz UKCDHCYIRVFQED-UHFFFAOYSA-N 0 0 428.561 5.174 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CC1 ZINC000078782125 569319042 /nfs/dbraw/zinc/31/90/42/569319042.db2.gz QKBCYJBOIOLTGM-UHFFFAOYSA-N 0 0 434.540 5.206 50 0 IKAARN Cc1ccc(-c2ccc(C(=O)Nc3c(=O)n(-c4ccccc4)n(C)c3C(C)C)c(F)c2)cc1 ZINC000078789880 569319067 /nfs/dbraw/zinc/31/90/67/569319067.db2.gz FLVHVBCESIBXGW-UHFFFAOYSA-N 0 0 443.522 5.666 50 0 IKAARN O=C(c1csc(Br)c1)N1CCC(=O)N(Cc2ccccc2)c2ccccc21 ZINC000078868997 569319461 /nfs/dbraw/zinc/31/94/61/569319461.db2.gz NECTZJBPXBJHHU-UHFFFAOYSA-N 0 0 441.350 5.094 50 0 IKAARN Cc1cnc([C@H](NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C2CC2)s1 ZINC000078877335 569319893 /nfs/dbraw/zinc/31/98/93/569319893.db2.gz LQWMPDHPMMJYKF-OAQYLSRUSA-N 0 0 434.590 5.273 50 0 IKAARN C[C@H](c1ccccc1)N1Cc2c(=O)c3ccccc3oc2N(C(=O)OCc2ccccc2)C1 ZINC000019459461 569320099 /nfs/dbraw/zinc/32/00/99/569320099.db2.gz IPNDWJOYEJLKDN-LJQANCHMSA-N 0 0 440.499 5.471 50 0 IKAARN CC[C@H](CC(=O)N1CCC[C@@H](CNC(=O)C[C@H](CC)c2ccccc2)C1)c1ccccc1 ZINC000079022851 569322545 /nfs/dbraw/zinc/32/25/45/569322545.db2.gz MCDFXZLRMOZUSM-KMDXXIMOSA-N 0 0 434.624 5.509 50 0 IKAARN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000079026614 569322970 /nfs/dbraw/zinc/32/29/70/569322970.db2.gz DYDKWURQJLRDPZ-IBGZPJMESA-N 0 0 438.531 5.232 50 0 IKAARN CCOc1ccc2cc([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CC)c(Cl)nc2c1 ZINC000079047177 569323043 /nfs/dbraw/zinc/32/30/43/569323043.db2.gz CWFAMURIWMCQIM-NRFANRHFSA-N 0 0 425.891 5.514 50 0 IKAARN Cc1nccn1-c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 ZINC000079045090 569323046 /nfs/dbraw/zinc/32/30/46/569323046.db2.gz ZQRZVUIDNIPUNT-CDXDBMBRSA-N 0 0 438.531 5.045 50 0 IKAARN Cc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3ccc(Br)cc3)C2)o1 ZINC000079046930 569323095 /nfs/dbraw/zinc/32/30/95/569323095.db2.gz VTPDMBROLUVADC-LJQANCHMSA-N 0 0 427.273 5.481 50 0 IKAARN Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)C(C)C)[C@H](c3ccco3)C1)c2-c1ccccc1 ZINC000079047025 569323110 /nfs/dbraw/zinc/32/31/10/569323110.db2.gz XPVMXGBKTQADPK-QFIPXVFZSA-N 0 0 439.515 5.430 50 0 IKAARN COc1ccccc1-c1nnc(SCCSc2ccnc3cc(Cl)ccc32)o1 ZINC000079051174 569323330 /nfs/dbraw/zinc/32/33/30/569323330.db2.gz ZANWQQQOGINTJX-UHFFFAOYSA-N 0 0 429.954 5.831 50 0 IKAARN COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000079052638 569323474 /nfs/dbraw/zinc/32/34/74/569323474.db2.gz QDUUOQUVWXIZGW-KNQAVFIVSA-N 0 0 446.975 5.265 50 0 IKAARN COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000079052649 569323505 /nfs/dbraw/zinc/32/35/05/569323505.db2.gz QDUUOQUVWXIZGW-DENIHFKCSA-N 0 0 446.975 5.265 50 0 IKAARN O=C(CN1CCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000079060753 569323928 /nfs/dbraw/zinc/32/39/28/569323928.db2.gz RKNVZXZSAZYSCY-UHFFFAOYSA-N 0 0 441.962 6.257 50 0 IKAARN O=C(c1ccsc1)N1CCCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1 ZINC000079092197 569325148 /nfs/dbraw/zinc/32/51/48/569325148.db2.gz BPBSCMCURAYMHO-UHFFFAOYSA-N 0 0 437.512 5.243 50 0 IKAARN O=C(Nc1cnc(Br)c(Br)c1)c1cc(Cl)cc2cccnc21 ZINC000079098137 569325362 /nfs/dbraw/zinc/32/53/62/569325362.db2.gz QFJKHXDNVJTSIH-UHFFFAOYSA-N 0 0 441.510 5.061 50 0 IKAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000079105000 569325733 /nfs/dbraw/zinc/32/57/33/569325733.db2.gz CFUAAUREJBWFAZ-UHFFFAOYSA-N 0 0 442.491 5.252 50 0 IKAARN COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1cccc(C)c1 ZINC000079112236 569326161 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CCCCSC1=N/C(=C\c2ccc(OC)cc2OC)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152043 569336452 /nfs/dbraw/zinc/33/64/52/569336452.db2.gz ADERNQQGCZDKHM-ODLFYWEKSA-N 0 0 448.947 5.773 50 0 IKAARN CCCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152157 569336577 /nfs/dbraw/zinc/33/65/77/569336577.db2.gz HQWFLOZZHZSTBR-WQRHYEAKSA-N 0 0 448.947 5.773 50 0 IKAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCCC3)cc1 ZINC000020152333 569336583 /nfs/dbraw/zinc/33/65/83/569336583.db2.gz YTTBVXRFVAENOA-UHFFFAOYSA-N 0 0 433.360 5.545 50 0 IKAARN CC1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=S)N2C(=O)c1ccccc1 ZINC000020152256 569336585 /nfs/dbraw/zinc/33/65/85/569336585.db2.gz KMWPSWBHTWQLHH-UHFFFAOYSA-N 0 0 441.394 5.628 50 0 IKAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)c(Cl)c2)=NC12CCCCC2 ZINC000020152229 569336597 /nfs/dbraw/zinc/33/65/97/569336597.db2.gz FZKFGWZZTYUUKD-UHFFFAOYSA-N 0 0 435.351 6.065 50 0 IKAARN O=C(c1ccc(Br)cc1)N1C(=S)C(c2ccccc2)=NC12CCCCC2 ZINC000020152308 569336614 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/nfs/dbraw/zinc/35/50/42/569355042.db2.gz NOXYMXJOZFJGJR-JLFHSUMDSA-N 0 0 440.996 5.568 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3N(C)C2=O)c1 ZINC000020180445 569355046 /nfs/dbraw/zinc/35/50/46/569355046.db2.gz ZSJAUPXVUIRDLC-WMWHPZEKSA-N 0 0 444.556 5.296 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Oc3ccccc32)[C@@H]1C ZINC000020180781 569355162 /nfs/dbraw/zinc/35/51/62/569355162.db2.gz ZWMDEIZTIUGOQB-NLECEDCQSA-N 0 0 438.955 5.047 50 0 IKAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000020180922 569355236 /nfs/dbraw/zinc/35/52/36/569355236.db2.gz HAVZAGZNHKWXGX-WSLHGYQHSA-N 0 0 444.556 5.052 50 0 IKAARN O=C(CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21)NC1CCCCCC1 ZINC000020180855 569355247 /nfs/dbraw/zinc/35/52/47/569355247.db2.gz NGYCNRLAZJHNEH-HMAPJEAMSA-N 0 0 442.918 5.085 50 0 IKAARN C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181128 569355255 /nfs/dbraw/zinc/35/52/55/569355255.db2.gz IEOAQIRLOAXWBE-QSBCOWLBSA-N 0 0 440.996 5.324 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181353 569355310 /nfs/dbraw/zinc/35/53/10/569355310.db2.gz KKUKXZWLFJEHQZ-QOGSAJBPSA-N 0 0 440.996 5.515 50 0 IKAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCC1=CCCCC1 ZINC000020181178 569355311 /nfs/dbraw/zinc/35/53/11/569355311.db2.gz VDDPIXSEYKQGBZ-KQWNVCNZSA-N 0 0 436.552 5.312 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000020181258 569355320 /nfs/dbraw/zinc/35/53/20/569355320.db2.gz WZWYUOXMMFGIOX-JWGRYVKWSA-N 0 0 428.557 5.352 50 0 IKAARN Cc1ccc(CNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3C)C2=O)cc1 ZINC000020181412 569355333 /nfs/dbraw/zinc/35/53/33/569355333.db2.gz JLNILQXEQIZRBI-IWIPYMOSSA-N 0 0 428.557 5.100 50 0 IKAARN CC[C@@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181470 569355389 /nfs/dbraw/zinc/35/53/89/569355389.db2.gz QZJMUOZAMBFLSU-ONDHQXCVSA-N 0 0 434.483 5.100 50 0 IKAARN C[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)c1ccccc1 ZINC000020181445 569355398 /nfs/dbraw/zinc/35/53/98/569355398.db2.gz UGYPSCJWFQGFCG-HAFIMRKLSA-N 0 0 448.975 5.697 50 0 IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)cc1 ZINC000020181644 569355400 /nfs/dbraw/zinc/35/54/00/569355400.db2.gz SVNRALURAXBRAE-XIEYBQDHSA-N 0 0 442.584 5.088 50 0 IKAARN O=C(CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(Cl)cc1)Nc1nccs1 ZINC000020182378 569355455 /nfs/dbraw/zinc/35/54/55/569355455.db2.gz FXEDTXZVWCMNSV-UHFFFAOYSA-N 0 0 444.944 5.724 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc(C(F)(F)F)ccc32)cc1 ZINC000020183486 569355486 /nfs/dbraw/zinc/35/54/86/569355486.db2.gz IPHYQRCFXWPIBH-UHFFFAOYSA-N 0 0 437.852 7.221 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000020182376 569355524 /nfs/dbraw/zinc/35/55/24/569355524.db2.gz RRMOPBLXFMEDFU-UHFFFAOYSA-N 0 0 440.981 5.893 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccc(Cl)cc1)Nc1nccs1 ZINC000020182374 569355542 /nfs/dbraw/zinc/35/55/42/569355542.db2.gz AUCFVMVRSOSTFD-UHFFFAOYSA-N 0 0 426.954 5.584 50 0 IKAARN COc1ccc(OC)c(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)c1 ZINC000020212358 569356335 /nfs/dbraw/zinc/35/63/35/569356335.db2.gz SFWKJQQODRMQGQ-UHFFFAOYSA-N 0 0 441.531 5.277 50 0 biogenic IKAARN Fc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCCC2)cc1Cl ZINC000020212571 569356353 /nfs/dbraw/zinc/35/63/53/569356353.db2.gz MDLJMRZBQSUBJP-UHFFFAOYSA-N 0 0 429.992 6.882 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NC3CCCCC3)C2=O)c1 ZINC000020237619 569357459 /nfs/dbraw/zinc/35/74/59/569357459.db2.gz SBJHHVADLPWRHJ-DVECYGJZSA-N 0 0 436.621 5.396 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C2(CCC(C)CC2)OC1=O ZINC000020279311 569358609 /nfs/dbraw/zinc/35/86/09/569358609.db2.gz XFSCGMACYYCGLB-UHFFFAOYSA-N 0 0 437.923 5.332 50 0 IKAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020282572 569358795 /nfs/dbraw/zinc/35/87/95/569358795.db2.gz DYQCQXMBAHTUNL-UHFFFAOYSA-N 0 0 438.453 5.603 50 0 IKAARN COc1ccc2nc(NC(=O)c3cc4c(s3)c3ccccc3nc4Cl)sc2c1 ZINC000020286069 569359065 /nfs/dbraw/zinc/35/90/65/569359065.db2.gz BOBQZPXCFLELJL-UHFFFAOYSA-N 0 0 425.922 5.974 50 0 IKAARN CCc1ccccc1/N=c1\oc2c(cccc2OC)cc1S(=O)(=O)c1ccc(C)cc1 ZINC000020285566 569359078 /nfs/dbraw/zinc/35/90/78/569359078.db2.gz DSLSGSDRFYLFPJ-QPLCGJKRSA-N 0 0 433.529 5.377 50 0 IKAARN O=C(c1cc2c(s1)c1ccccc1nc2Cl)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000020286231 569359179 /nfs/dbraw/zinc/35/91/79/569359179.db2.gz ZUNRVOYSYKILOM-OAHLLOKOSA-N 0 0 426.925 5.517 50 0 IKAARN COc1cc(OC)c(N(C)C(=O)c2cc3c(s2)c2ccccc2nc3Cl)cc1Cl ZINC000020286146 569359192 /nfs/dbraw/zinc/35/91/92/569359192.db2.gz LLOOMPDMKGVIBU-UHFFFAOYSA-N 0 0 447.343 6.050 50 0 IKAARN Cc1[nH]c2ccccc2c1C(c1ccc(Oc2ccccc2)o1)c1c(C)[nH]c2ccccc21 ZINC000095239808 569359455 /nfs/dbraw/zinc/35/94/55/569359455.db2.gz FAZZVAXNXHHLNF-UHFFFAOYSA-N 0 0 432.523 7.832 50 0 IKAARN COc1ccc(OC)c(CNC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)c1 ZINC000020321487 569360176 /nfs/dbraw/zinc/36/01/76/569360176.db2.gz QCDPEIZSPOFKSH-UHFFFAOYSA-N 0 0 426.925 5.359 50 0 IKAARN Cc1ccc(CNc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)cc1 ZINC000020332408 569360988 /nfs/dbraw/zinc/36/09/88/569360988.db2.gz SBARWJUNOQQZFS-UHFFFAOYSA-N 0 0 433.437 5.884 50 0 IKAARN CCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(C)c1)S2 ZINC000020355304 569361192 /nfs/dbraw/zinc/36/11/92/569361192.db2.gz RXSABHJOSJVVIL-KGENOOAVSA-N 0 0 426.607 5.343 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3NC2=O)cc1 ZINC000020355271 569361225 /nfs/dbraw/zinc/36/12/25/569361225.db2.gz ZNXJLOHTBHCMGS-WSDLNYQXSA-N 0 0 434.948 5.664 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N4CCc5ccccc5C4)cc3NC2=O)cc1 ZINC000020355249 569361259 /nfs/dbraw/zinc/36/12/59/569361259.db2.gz SUGSIDFFOUYBNC-ZVHZXABRSA-N 0 0 426.541 5.279 50 0 IKAARN Cc1cccc2c1-c1sc(C(=O)N3CCCN(Cc4ccccc4Cl)C3)cc1CO2 ZINC000020355768 569361329 /nfs/dbraw/zinc/36/13/29/569361329.db2.gz QYLNZUWSGCZWKH-UHFFFAOYSA-N 0 0 438.980 5.575 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)nc1-c1ccccc1 ZINC000095348750 569361624 /nfs/dbraw/zinc/36/16/24/569361624.db2.gz KYWKDHYMOHUUFW-DLBZAZTESA-N 0 0 434.952 5.606 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)nc1-c1ccccc1 ZINC000095348749 569361627 /nfs/dbraw/zinc/36/16/27/569361627.db2.gz KYWKDHYMOHUUFW-SJORKVTESA-N 0 0 434.952 5.606 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)nc1-c1ccccc1 ZINC000095348751 569361672 /nfs/dbraw/zinc/36/16/72/569361672.db2.gz KYWKDHYMOHUUFW-IRXDYDNUSA-N 0 0 434.952 5.606 50 0 IKAARN O=[S@](CCSc1nnc2sc3ccccc3n12)c1cc(Cl)ccc1Cl ZINC000095357393 569362303 /nfs/dbraw/zinc/36/23/03/569362303.db2.gz FURCZASSDFJYNB-VWLOTQADSA-N 0 0 428.391 5.151 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1 ZINC000020382366 569362681 /nfs/dbraw/zinc/36/26/81/569362681.db2.gz NIHMLHMAEZOELG-UHFFFAOYSA-N 0 0 432.545 5.387 50 0 IKAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4cc(Cl)ccc4OC)CC3)sc2c1 ZINC000020383398 569362702 /nfs/dbraw/zinc/36/27/02/569362702.db2.gz HCFINPJLCHVZKQ-UHFFFAOYSA-N 0 0 445.972 5.212 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4C)C3)sc2c1 ZINC000020383478 569362764 /nfs/dbraw/zinc/36/27/64/569362764.db2.gz USDNXRUUVVPOFT-OAHLLOKOSA-N 0 0 429.973 5.512 50 0 IKAARN c1ccc(COc2cccc(-c3nn4c(nnc4C45CC6CC(CC(C6)C4)C5)s3)c2)cc1 ZINC000080346225 569362891 /nfs/dbraw/zinc/36/28/91/569362891.db2.gz SSZNRDYLQBIYPJ-UHFFFAOYSA-N 0 0 442.588 5.900 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc32)cc1 ZINC000020385863 569362987 /nfs/dbraw/zinc/36/29/87/569362987.db2.gz DZJVIDODUSSSOB-UHFFFAOYSA-N 0 0 431.561 5.895 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCc4ccccc4F)cc32)cc1 ZINC000020385780 569363016 /nfs/dbraw/zinc/36/30/16/569363016.db2.gz IMAMMULIHYDUNM-UHFFFAOYSA-N 0 0 435.524 5.095 50 0 IKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387287 569363136 /nfs/dbraw/zinc/36/31/36/569363136.db2.gz WRLONJFKHZNMEH-ZTOMLWHTSA-N 0 0 446.635 5.694 50 0 IKAARN Cc1sc(-n2cccc2)c([C@H](C)NC(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000020386486 569363153 /nfs/dbraw/zinc/36/31/53/569363153.db2.gz KOLNKQBWWRQGCS-AWEZNQCLSA-N 0 0 432.387 6.109 50 0 IKAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387304 569363157 /nfs/dbraw/zinc/36/31/57/569363157.db2.gz WRLONJFKHZNMEH-KPURRNSFSA-N 0 0 446.635 5.694 50 0 IKAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020386955 569363166 /nfs/dbraw/zinc/36/31/66/569363166.db2.gz LTTLICYLDIHHSC-PIKZIKFNSA-N 0 0 432.608 5.304 50 0 IKAARN COc1ccc(C2(C(=O)Nc3cc4c(cc3Br)OCCO4)CCCCC2)cc1 ZINC000095385677 569363214 /nfs/dbraw/zinc/36/32/14/569363214.db2.gz POHPWGITXQQCFH-UHFFFAOYSA-N 0 0 446.341 5.070 50 0 IKAARN CC1CCC(NC(=O)[C@]2(C)Cc3ccccc3C(=O)N2CCc2ccc(Cl)cc2)CC1 ZINC000020387584 569363246 /nfs/dbraw/zinc/36/32/46/569363246.db2.gz NHIMBWOFXXLZDO-VJVDVCSOSA-N 0 0 438.999 5.035 50 0 IKAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000020413719 569364164 /nfs/dbraw/zinc/36/41/64/569364164.db2.gz HKUJLWXIGSTLNF-QGPSNVPRSA-N 0 0 439.621 5.372 50 0 IKAARN Cc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000020413345 569364191 /nfs/dbraw/zinc/36/41/91/569364191.db2.gz BURLILZARURVGL-QFHJOOASSA-N 0 0 425.569 5.815 50 0 biogenic IKAARN Cc1c(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000020415580 569364417 /nfs/dbraw/zinc/36/44/17/569364417.db2.gz GYRXXUFAJMIDAG-YULRPQQCSA-N 0 0 434.624 5.854 50 0 IKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020415285 569364462 /nfs/dbraw/zinc/36/44/62/569364462.db2.gz AXDSXYCGBRXENL-VWLOTQADSA-N 0 0 426.516 5.724 50 0 IKAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000020415668 569364483 /nfs/dbraw/zinc/36/44/83/569364483.db2.gz HVSCFGHMIAYULM-UHFFFAOYSA-N 0 0 441.369 5.212 50 0 IKAARN Cc1c(C(=O)NCCC(C)C)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020418001 569365235 /nfs/dbraw/zinc/36/52/35/569365235.db2.gz GYJXZDYORFIGPN-RUZDIDTESA-N 0 0 439.939 6.051 50 0 IKAARN CCCCN(CCCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1 ZINC000020438767 569365527 /nfs/dbraw/zinc/36/55/27/569365527.db2.gz DKTKVOBRPCBEOU-QQTULTPQSA-N 0 0 445.607 5.861 50 0 IKAARN COc1ccccc1-c1nn(CCC(=O)NCc2ccccc2Cl)c2nc(C)cc(C)c12 ZINC000020437541 569365546 /nfs/dbraw/zinc/36/55/46/569365546.db2.gz PVYNDDNYMRYPGL-UHFFFAOYSA-N 0 0 448.954 5.084 50 0 IKAARN CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCCCC2)c2ccccc21 ZINC000020438915 569365600 /nfs/dbraw/zinc/36/56/00/569365600.db2.gz UJWVWRUUTWWFEQ-QJOMJCCJSA-N 0 0 449.982 5.488 50 0 IKAARN CCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccc(OC)cc1 ZINC000020439106 569365771 /nfs/dbraw/zinc/36/57/71/569365771.db2.gz GUKFXEHHHLCTMT-MOHJPFBDSA-N 0 0 447.579 5.089 50 0 IKAARN CC(C)[C@@H](NC(=O)COC1CCCCC1)c1ccccc1NC(=O)COC1CCCCC1 ZINC000095443734 569366807 /nfs/dbraw/zinc/36/68/07/569366807.db2.gz INLDVBNOFPDKBE-AREMUKBSSA-N 0 0 444.616 5.137 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)[C@H](C)c2ccccc2F)c1C ZINC000095446419 569367302 /nfs/dbraw/zinc/36/73/02/569367302.db2.gz ITHBEHYLJTVZCW-OAHLLOKOSA-N 0 0 445.336 5.616 50 0 IKAARN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1C ZINC000095446418 569367373 /nfs/dbraw/zinc/36/73/73/569367373.db2.gz ITHBEHYLJTVZCW-HNNXBMFYSA-N 0 0 445.336 5.616 50 0 IKAARN Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000095453387 569368187 /nfs/dbraw/zinc/36/81/87/569368187.db2.gz WXRCZJJVRUYKBA-UHFFFAOYSA-N 0 0 439.556 5.126 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000095454856 569368384 /nfs/dbraw/zinc/36/83/84/569368384.db2.gz FNMDAQXRISRNJK-IBGZPJMESA-N 0 0 431.540 5.208 50 0 IKAARN CCN(C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000095454913 569368394 /nfs/dbraw/zinc/36/83/94/569368394.db2.gz BCRUPRKQSASHOI-RUZDIDTESA-N 0 0 445.538 5.670 50 0 IKAARN CSc1ccsc1C(=O)N[C@@H]1CCCCC[C@H]1NC(=O)c1sccc1SC ZINC000095456645 569368840 /nfs/dbraw/zinc/36/88/40/569368840.db2.gz HCBAXJRZMOKVGZ-CHWSQXEVSA-N 0 0 440.681 5.115 50 0 IKAARN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456443 569368880 /nfs/dbraw/zinc/36/88/80/569368880.db2.gz ZRWDCSHWTXKWAQ-LEWJYISDSA-N 0 0 440.374 5.121 50 0 IKAARN CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000095458919 569369191 /nfs/dbraw/zinc/36/91/91/569369191.db2.gz JROYXEBDYTVEOX-PZJWPPBQSA-N 0 0 438.534 5.277 50 0 IKAARN CCc1nc2ccccc2n1C1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 ZINC000095458922 569369340 /nfs/dbraw/zinc/36/93/40/569369340.db2.gz KCSAFOQTCSJVSC-UHFFFAOYSA-N 0 0 432.593 5.395 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508674 569369627 /nfs/dbraw/zinc/36/96/27/569369627.db2.gz DVIQAZNVAIOWAT-DVNJHFJZSA-N 0 0 436.621 5.666 50 0 IKAARN Cn1c(CCCNC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)nc2ccccc21 ZINC000095465653 569370828 /nfs/dbraw/zinc/37/08/28/569370828.db2.gz DQIFFQDMQUHKMD-ROUUACIJSA-N 0 0 449.986 5.126 50 0 IKAARN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1cccc(C(F)(F)F)c1 ZINC000095469225 569371390 /nfs/dbraw/zinc/37/13/90/569371390.db2.gz SOMRDGGWTCCJPR-LBPRGKRZSA-N 0 0 438.247 5.145 50 0 IKAARN COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccc3ccccc3c2)cc(=O)c1O ZINC000095472683 569372146 /nfs/dbraw/zinc/37/21/46/569372146.db2.gz YPDVOGPINOCLIW-IBGZPJMESA-N 0 0 436.485 5.079 50 0 IKAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095480427 569373936 /nfs/dbraw/zinc/37/39/36/569373936.db2.gz IBRLGWYZSDIPSD-NRFANRHFSA-N 0 0 446.982 5.598 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc42)CC3)C1 ZINC000095481760 569374225 /nfs/dbraw/zinc/37/42/25/569374225.db2.gz QLKAAEQFNBDCGN-LJQANCHMSA-N 0 0 439.540 5.054 50 0 IKAARN Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000095482475 569374329 /nfs/dbraw/zinc/37/43/29/569374329.db2.gz KOESLRATGHDVPF-UHFFFAOYSA-N 0 0 436.364 5.244 50 0 IKAARN Cc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cn1 ZINC000095943457 569375664 /nfs/dbraw/zinc/37/56/64/569375664.db2.gz PFKNQGYNNMPMTL-UHFFFAOYSA-N 0 0 426.303 5.358 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2nc(-c3ccccc3)no2)Cc2ccccc2)c1 ZINC000095947046 569376174 /nfs/dbraw/zinc/37/61/74/569376174.db2.gz UELGZRKZPODFFP-IBGZPJMESA-N 0 0 426.520 5.458 50 0 IKAARN COc1ccc(C(C)=O)cc1CN(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095947040 569376202 /nfs/dbraw/zinc/37/62/02/569376202.db2.gz CEYUUDYGTCYEHX-IBGZPJMESA-N 0 0 430.548 5.620 50 0 IKAARN COc1cc(CN2CCC[C@@H](n3nccc3C(F)(F)F)C2)cc(Cl)c1OC(F)F ZINC000095995876 569378719 /nfs/dbraw/zinc/37/87/19/569378719.db2.gz LQFBDWBMRAXMPJ-GFCCVEGCSA-N 0 0 439.812 5.002 50 0 IKAARN CC(C)(C)c1nn(-c2ccccc2Cl)cc1CNc1ccccc1N1CCC(O)CC1 ZINC000095997207 569378939 /nfs/dbraw/zinc/37/89/39/569378939.db2.gz YCHUWMTULJSIAN-UHFFFAOYSA-N 0 0 439.003 5.396 50 0 IKAARN Cc1nc(COc2ccc(/C=C\C(=O)N(Cc3ccccc3)CC(F)F)cc2)cs1 ZINC000096035284 569380935 /nfs/dbraw/zinc/38/09/35/569380935.db2.gz DZBVSATZPUMOOD-XFXZXTDPSA-N 0 0 428.504 5.338 50 0 IKAARN Cc1nccn1-c1ccc([C@@H](C)NC(=O)/C=C\c2ccc(OCc3cccnc3)cc2)cc1 ZINC000096055652 569381128 /nfs/dbraw/zinc/38/11/28/569381128.db2.gz ZQRZVUIDNIPUNT-BHBFUXRTSA-N 0 0 438.531 5.045 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096096142 569381242 /nfs/dbraw/zinc/38/12/42/569381242.db2.gz RJSLBMVNQUXJBW-CZBGHURDSA-N 0 0 429.442 5.672 50 0 IKAARN CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096096143 569381248 /nfs/dbraw/zinc/38/12/48/569381248.db2.gz RJSLBMVNQUXJBW-WCCASYEZSA-N 0 0 429.442 5.672 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nn(C2CCCC2)c2c1CCCC2 ZINC000096099237 569381555 /nfs/dbraw/zinc/38/15/55/569381555.db2.gz LDHRFHJAESBUIK-UHFFFAOYSA-N 0 0 438.959 5.424 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)Nc1ccccc1C(F)(F)F ZINC000096102986 569381944 /nfs/dbraw/zinc/38/19/44/569381944.db2.gz ZAOWVSVHSCKLKT-UHFFFAOYSA-N 0 0 439.397 5.385 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cc(Br)cs1 ZINC000096103576 569382045 /nfs/dbraw/zinc/38/20/45/569382045.db2.gz GGUUJOAXIDJEDF-UHFFFAOYSA-N 0 0 433.352 5.027 50 0 IKAARN O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 ZINC000096103664 569382095 /nfs/dbraw/zinc/38/20/95/569382095.db2.gz NYEONVGUMMMXTC-IBGZPJMESA-N 0 0 446.469 5.054 50 0 IKAARN CC(C)Oc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000096115368 569383298 /nfs/dbraw/zinc/38/32/98/569383298.db2.gz YJVPGCBTCMTAJV-RDGATRHJSA-N 0 0 441.483 5.112 50 0 biogenic IKAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117408 569384061 /nfs/dbraw/zinc/38/40/61/569384061.db2.gz WYKUGNAGJSYPGW-CZUORRHYSA-N 0 0 441.475 5.091 50 0 IKAARN Cc1csc(N(C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c2ccccc2)n1 ZINC000096117683 569384230 /nfs/dbraw/zinc/38/42/30/569384230.db2.gz BJKVTUNKUYLEDE-SEYXRHQNSA-N 0 0 431.561 5.068 50 0 IKAARN CC[C@H](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000096117681 569384238 /nfs/dbraw/zinc/38/42/38/569384238.db2.gz ALFQBIROTOVSQJ-VSDKYCSVSA-N 0 0 434.624 5.050 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000096117816 569384309 /nfs/dbraw/zinc/38/43/09/569384309.db2.gz PQAJZABVZXRVIX-MLGOLLRUSA-N 0 0 426.369 5.499 50 0 IKAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000096118622 569384519 /nfs/dbraw/zinc/38/45/19/569384519.db2.gz VEZOMZNBSOAXHK-QGZVFWFLSA-N 0 0 446.378 5.131 50 0 IKAARN O=C(CCc1ccccc1Br)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000096119915 569384771 /nfs/dbraw/zinc/38/47/71/569384771.db2.gz WFSAWRZWHNXQIQ-UHFFFAOYSA-N 0 0 434.380 5.052 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)Nc1ccccc1C(F)(F)F ZINC000096119715 569384811 /nfs/dbraw/zinc/38/48/11/569384811.db2.gz GANFZQCGAMCGSN-UHFFFAOYSA-N 0 0 428.370 5.583 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)Nc1ccccc1C(F)(F)F ZINC000096119768 569384821 /nfs/dbraw/zinc/38/48/21/569384821.db2.gz UEFQMNKPZQAFCB-UHFFFAOYSA-N 0 0 444.438 6.052 50 0 IKAARN Cc1ccccc1NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000096193981 569386199 /nfs/dbraw/zinc/38/61/99/569386199.db2.gz RVDGJXBJAQDAOO-UHFFFAOYSA-N 0 0 439.231 5.096 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1Br ZINC000096194501 569386353 /nfs/dbraw/zinc/38/63/53/569386353.db2.gz QWXOUQNJMMRFJH-VWLOTQADSA-N 0 0 442.356 6.636 50 0 IKAARN Cc1cccc(-c2noc(CCN(CC(C)C)C(=O)c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000096203366 569386357 /nfs/dbraw/zinc/38/63/57/569386357.db2.gz JOOZHFILAHPKHX-UHFFFAOYSA-N 0 0 431.458 5.405 50 0 IKAARN O=C(C1CCC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000096203911 569386482 /nfs/dbraw/zinc/38/64/82/569386482.db2.gz ZNWFOPDFOZLYFY-FQEVSTJZSA-N 0 0 434.433 5.166 50 0 IKAARN CC(C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000096203913 569386492 /nfs/dbraw/zinc/38/64/92/569386492.db2.gz YZVDQOAMCUIJGK-FQEVSTJZSA-N 0 0 436.449 5.412 50 0 IKAARN O=C(c1ccco1)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000096203909 569386514 /nfs/dbraw/zinc/38/65/14/569386514.db2.gz BNAGDPDKMJOXAH-IBGZPJMESA-N 0 0 446.400 5.273 50 0 IKAARN Cc1ccc(C)c(Cn2c(C(=O)NCC(C)C)cc3cc(NC(=O)c4ccco4)ccc32)c1 ZINC000096275145 569388171 /nfs/dbraw/zinc/38/81/71/569388171.db2.gz TVKABGHIWIAGKX-UHFFFAOYSA-N 0 0 443.547 5.538 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3ccccc3)cc3cc(NC(=O)C4CC4)ccc32)c1 ZINC000096275231 569388270 /nfs/dbraw/zinc/38/82/70/569388270.db2.gz DJCFUDPHGFIHBL-UHFFFAOYSA-N 0 0 437.543 5.277 50 0 IKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)N1CCOCC1 ZINC000096275295 569388277 /nfs/dbraw/zinc/38/82/77/569388277.db2.gz YBSQLCLCWIJXMD-DEOSSOPVSA-N 0 0 442.534 5.210 50 0 IKAARN COc1ccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275578 569388288 /nfs/dbraw/zinc/38/82/88/569388288.db2.gz OAOLOOMILBQROB-LJQANCHMSA-N 0 0 442.437 5.627 50 0 IKAARN O=C(C[C@H](CCc1ccccc1)c1c[nH]c2ccc(Cl)cc21)NCCc1ccccn1 ZINC000096275247 569388318 /nfs/dbraw/zinc/38/83/18/569388318.db2.gz RIEIXFCWWBRCKY-FQEVSTJZSA-N 0 0 431.967 5.682 50 0 IKAARN CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096275783 569388436 /nfs/dbraw/zinc/38/84/36/569388436.db2.gz UBAPEXSUCDGWGO-UHFFFAOYSA-N 0 0 439.559 5.932 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)N1CCCC1 ZINC000096275605 569388437 /nfs/dbraw/zinc/38/84/37/569388437.db2.gz TWSZRVYJTPSKNL-XMMPIXPASA-N 0 0 426.535 5.973 50 0 IKAARN CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2cc(NC(=O)CC(C)(C)C)ccc21 ZINC000096276446 569388489 /nfs/dbraw/zinc/38/84/89/569388489.db2.gz IEHFLDVFNQCSTQ-UHFFFAOYSA-N 0 0 445.485 6.307 50 0 IKAARN Cc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000096276225 569388545 /nfs/dbraw/zinc/38/85/45/569388545.db2.gz XOBRBHGFHGXONQ-UHFFFAOYSA-N 0 0 445.950 5.626 50 0 IKAARN CC(C)CC(=O)Nc1ccc2c(cc(C(=O)NCc3ccco3)n2Cc2ccc(F)cc2)c1 ZINC000096276536 569388650 /nfs/dbraw/zinc/38/86/50/569388650.db2.gz WKRJAWZGUZNXSD-UHFFFAOYSA-N 0 0 447.510 5.336 50 0 IKAARN COc1ccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000096276579 569388677 /nfs/dbraw/zinc/38/86/77/569388677.db2.gz UGEWZZVWADSOGY-JOCHJYFZSA-N 0 0 430.548 5.905 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccc(Cl)cc32)cc1OC ZINC000096276857 569388683 /nfs/dbraw/zinc/38/86/83/569388683.db2.gz YFEYRWFPPJPOSQ-HXUWFJFHSA-N 0 0 448.950 5.677 50 0 IKAARN CC[C@@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096277275 569388750 /nfs/dbraw/zinc/38/87/50/569388750.db2.gz PQODBAIJQRHYLZ-MRXNPFEDSA-N 0 0 431.458 5.547 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)C1CCCCC1 ZINC000096277124 569388751 /nfs/dbraw/zinc/38/87/51/569388751.db2.gz LNMMASYWOCYLSI-VWLOTQADSA-N 0 0 448.607 5.515 50 0 IKAARN CC(C)(C)c1ccc(Cn2c(C(N)=O)cc3cc(NC(=O)c4ccc(F)cc4)ccc32)cc1 ZINC000096277441 569388785 /nfs/dbraw/zinc/38/87/85/569388785.db2.gz TXGIRDCGERMGPD-UHFFFAOYSA-N 0 0 443.522 5.477 50 0 IKAARN C[C@H](c1ccccc1)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccc(F)c1 ZINC000096277889 569388866 /nfs/dbraw/zinc/38/88/66/569388866.db2.gz KPJAXKOTKUHNPC-QGZVFWFLSA-N 0 0 449.913 5.975 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096277744 569388877 /nfs/dbraw/zinc/38/88/77/569388877.db2.gz BTCBZUYUTGJEIO-XIKOKIGWSA-N 0 0 447.413 5.001 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000096278229 569388942 /nfs/dbraw/zinc/38/89/42/569388942.db2.gz NUVOQLICAKEAGV-GOSISDBHSA-N 0 0 446.856 6.272 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000096278156 569388972 /nfs/dbraw/zinc/38/89/72/569388972.db2.gz QSMJJZILAZPELR-DEOSSOPVSA-N 0 0 446.978 6.908 50 0 IKAARN COc1cc(OC)cc([C@@H](CC(=O)NCc2ccncc2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096278040 569388977 /nfs/dbraw/zinc/38/89/77/569388977.db2.gz QKMPRAPZICMGCX-OAQYLSRUSA-N 0 0 449.938 5.072 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)NCc1ccccc1 ZINC000096278392 569389069 /nfs/dbraw/zinc/38/90/69/569389069.db2.gz BRKQMNFFNJPKTE-HXUWFJFHSA-N 0 0 446.934 5.431 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)NCc1ccccc1 ZINC000096278391 569389126 /nfs/dbraw/zinc/38/91/26/569389126.db2.gz BRKQMNFFNJPKTE-FQEVSTJZSA-N 0 0 446.934 5.431 50 0 IKAARN COc1ccc(Cn2cc([C@H](CC(=O)N3CCOCC3)C(C)(C)C)c3ccccc32)cc1 ZINC000096278984 569389214 /nfs/dbraw/zinc/38/92/14/569389214.db2.gz SFEJOHBQEWHISW-DEOSSOPVSA-N 0 0 434.580 5.077 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4Cl)nc3c2)cc1C(F)(F)F ZINC000096279144 569389355 /nfs/dbraw/zinc/38/93/55/569389355.db2.gz NBJOTFNNYRIFGD-UHFFFAOYSA-N 0 0 444.840 6.652 50 0 IKAARN Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2Cl)c(-c2nc3ccccc3o2)c1 ZINC000096279283 569389371 /nfs/dbraw/zinc/38/93/71/569389371.db2.gz QQEDYASDJSXUHQ-UHFFFAOYSA-N 0 0 434.300 5.878 50 0 IKAARN Cc1ccc(-c2csc(N(CC(=O)NCc3ccccn3)c3ccccc3Cl)n2)cc1 ZINC000096279579 569389471 /nfs/dbraw/zinc/38/94/71/569389471.db2.gz DXXJWQDRXWPNOH-UHFFFAOYSA-N 0 0 448.979 5.621 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3ccccc3)cc3scc(Br)c32)c1 ZINC000096280407 569389562 /nfs/dbraw/zinc/38/95/62/569389562.db2.gz CINDVNJNLXFHKL-UHFFFAOYSA-N 0 0 439.378 5.752 50 0 IKAARN CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(Br)cc1 ZINC000096280422 569389576 /nfs/dbraw/zinc/38/95/76/569389576.db2.gz QHCFZJNSIKOZSP-UHFFFAOYSA-N 0 0 442.176 5.026 50 0 IKAARN COc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1OCc1cc(F)cc(F)c1 ZINC000096280640 569389683 /nfs/dbraw/zinc/38/96/83/569389683.db2.gz BJUPYTHTMQXFHP-UHFFFAOYSA-N 0 0 428.822 5.923 50 0 IKAARN COc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1OCc1c(F)cccc1F ZINC000096280742 569389684 /nfs/dbraw/zinc/38/96/84/569389684.db2.gz VLJAZICWYRJXJL-UHFFFAOYSA-N 0 0 428.822 5.923 50 0 IKAARN COc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3F)n2)c1 ZINC000096281543 569389925 /nfs/dbraw/zinc/38/99/25/569389925.db2.gz LEGNLASYICIAIS-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN COc1cc(-c2nc(C(=O)Nc3ccccc3)cs2)ccc1OCc1ccc(F)cc1 ZINC000096281511 569389952 /nfs/dbraw/zinc/38/99/52/569389952.db2.gz ZPCBUWMLYRRGOO-UHFFFAOYSA-N 0 0 434.492 5.789 50 0 IKAARN O=C(Nc1ccccc1Cl)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000096281612 569390055 /nfs/dbraw/zinc/39/00/55/569390055.db2.gz KNEKCCQNZXTFTN-UHFFFAOYSA-N 0 0 438.911 6.434 50 0 IKAARN Cc1ccsc1CN1CCc2nc(N3CCC(C)CC3)nc(Oc3ccc(C)cc3)c2C1 ZINC000096281835 569390147 /nfs/dbraw/zinc/39/01/47/569390147.db2.gz HZNXMNJWNFAVBL-UHFFFAOYSA-N 0 0 448.636 5.742 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cc(C)ccc1F ZINC000096287525 569390302 /nfs/dbraw/zinc/39/03/02/569390302.db2.gz VSCMLJPZJGYCSQ-QHCPKHFHSA-N 0 0 444.550 5.422 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)Nc2ccccc2)CC(C)C)n1 ZINC000096287285 569390320 /nfs/dbraw/zinc/39/03/20/569390320.db2.gz ZNLHKHWNUKFHDI-UHFFFAOYSA-N 0 0 445.394 5.990 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1 ZINC000096287015 569390334 /nfs/dbraw/zinc/39/03/34/569390334.db2.gz FCWTYBGZPBLRFU-UHFFFAOYSA-N 0 0 436.924 5.062 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096287507 569390355 /nfs/dbraw/zinc/39/03/55/569390355.db2.gz VZUIRFMOXYAQIP-HSZRJFAPSA-N 0 0 448.513 5.252 50 0 IKAARN CC[C@H](C)NC(=O)CCc1c(-c2cccc(OC)c2)nc2ccc(-c3ccccc3)cn21 ZINC000096288280 569390433 /nfs/dbraw/zinc/39/04/33/569390433.db2.gz XJMJKBAXNUUOIB-IBGZPJMESA-N 0 0 427.548 5.524 50 0 IKAARN CCCCN1c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N=C1CC(C)C ZINC000096288435 569390482 /nfs/dbraw/zinc/39/04/82/569390482.db2.gz XIESTIMJMRAIGU-UHFFFAOYSA-N 0 0 427.570 5.001 50 0 IKAARN CC(C)CNC(=O)c1ccccc1CSc1nnc(C(C)C)n1-c1ccc(F)cc1 ZINC000096288752 569390555 /nfs/dbraw/zinc/39/05/55/569390555.db2.gz LTJJJMDXAVJTRX-UHFFFAOYSA-N 0 0 426.561 5.208 50 0 IKAARN C[C@@]1(CNC(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CCCO1 ZINC000096289089 569390557 /nfs/dbraw/zinc/39/05/57/569390557.db2.gz UOYCGEOCBXQOKQ-MBSDFSHPSA-N 0 0 431.363 5.682 50 0 IKAARN C[C@]1(CNC(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CCCO1 ZINC000096289088 569390564 /nfs/dbraw/zinc/39/05/64/569390564.db2.gz UOYCGEOCBXQOKQ-FDDCHVKYSA-N 0 0 431.363 5.682 50 0 IKAARN Cc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CCC(=O)Nc2ccccc2)cc1 ZINC000096289166 569390640 /nfs/dbraw/zinc/39/06/40/569390640.db2.gz IUBNYTRFTGAQBJ-UHFFFAOYSA-N 0 0 431.539 6.548 50 0 IKAARN CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)N4CCCC4)n3c2)cc1 ZINC000096289174 569390664 /nfs/dbraw/zinc/39/06/64/569390664.db2.gz VWFMLGAUNGCZCB-UHFFFAOYSA-N 0 0 437.543 5.426 50 0 IKAARN CC(C)C[C@@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1c[nH]c2ccc(Cl)cc21 ZINC000096290314 569390768 /nfs/dbraw/zinc/39/07/68/569390768.db2.gz FZCQRPFHFKKGTE-WMZOPIPTSA-N 0 0 426.944 5.297 50 0 IKAARN O=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096290229 569390780 /nfs/dbraw/zinc/39/07/80/569390780.db2.gz NENQZSDDDOTVJF-NRFANRHFSA-N 0 0 435.886 5.172 50 0 IKAARN Cc1ccc(F)c([C@H](CC(=O)NCC(C)C)c2cn(Cc3ccccc3)c3ccccc23)c1 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ZINC000096293192 569391439 /nfs/dbraw/zinc/39/14/39/569391439.db2.gz ACVJQFAYFFCUHD-UHFFFAOYSA-N 0 0 440.975 6.390 50 0 IKAARN O=C(C1CCC1)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)CCc1ccccc1 ZINC000096292987 569391446 /nfs/dbraw/zinc/39/14/46/569391446.db2.gz AILVRVUMRMFANC-UHFFFAOYSA-N 0 0 443.469 5.169 50 0 IKAARN Cc1ccc(-c2noc(CCN(C(=O)c3ccccc3Cl)[C@H](C)c3ccccc3)n2)cc1 ZINC000096293010 569391470 /nfs/dbraw/zinc/39/14/70/569391470.db2.gz UIRXIDLLYSFCOL-LJQANCHMSA-N 0 0 445.950 6.145 50 0 IKAARN O=C(Cc1ccc(F)cc1)N(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000096293288 569391519 /nfs/dbraw/zinc/39/15/19/569391519.db2.gz FEGVGJRFDMHSJN-UHFFFAOYSA-N 0 0 441.934 5.476 50 0 IKAARN CCCCN(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1cccc(F)c1 ZINC000096293846 569391671 /nfs/dbraw/zinc/39/16/71/569391671.db2.gz NVGBMFUESLNWSS-UHFFFAOYSA-N 0 0 446.320 5.123 50 0 IKAARN CC[C@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096293546 569391685 /nfs/dbraw/zinc/39/16/85/569391685.db2.gz SBVSLHDLYJTQAZ-BTYIYWSLSA-N 0 0 427.932 5.119 50 0 IKAARN CC[C@@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096293654 569391701 /nfs/dbraw/zinc/39/17/01/569391701.db2.gz DQNPLQOTCHECDR-CQSZACIVSA-N 0 0 435.421 5.378 50 0 IKAARN COc1cc(C=C(Cl)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc2sc(=O)oc21 ZINC000096315804 569392781 /nfs/dbraw/zinc/39/27/81/569392781.db2.gz CVBREUPXBZQCCW-WDZFZDKYSA-N 0 0 446.937 5.189 50 0 IKAARN CC[C@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000096316957 569393060 /nfs/dbraw/zinc/39/30/60/569393060.db2.gz KKBAZIAEIHJTHQ-IBGZPJMESA-N 0 0 446.595 5.062 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)OCCOCc1ccccc1 ZINC000096318448 569393897 /nfs/dbraw/zinc/39/38/97/569393897.db2.gz FLZATZFQHWBWPN-UHFFFAOYSA-N 0 0 431.467 5.444 50 0 IKAARN COc1ccc(-c2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2-c2ccccc2)cc1OC ZINC000096319661 569393930 /nfs/dbraw/zinc/39/39/30/569393930.db2.gz XHFDTBHMLWCVBE-UHFFFAOYSA-N 0 0 446.503 5.454 50 0 IKAARN CCOC(=O)c1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000096319012 569393950 /nfs/dbraw/zinc/39/39/50/569393950.db2.gz FHVSEHYJQXNHTH-LJQANCHMSA-N 0 0 425.941 5.637 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(Cl)c4)no3)o2)cc1C ZINC000096322711 569394780 /nfs/dbraw/zinc/39/47/80/569394780.db2.gz BEGYUIKZPPHVEI-UHFFFAOYSA-N 0 0 428.897 5.241 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4Cl)no3)o2)c(C)c1 ZINC000096322726 569394866 /nfs/dbraw/zinc/39/48/66/569394866.db2.gz ZQLLYUOBTBPVCK-UHFFFAOYSA-N 0 0 428.897 5.241 50 0 IKAARN Cc1cccc(CS(=O)(=O)Cc2ccc(-c3nc(-c4cccc(Cl)c4)no3)o2)c1 ZINC000096322761 569394874 /nfs/dbraw/zinc/39/48/74/569394874.db2.gz TVIQCFDGGDNTLP-UHFFFAOYSA-N 0 0 428.897 5.073 50 0 IKAARN CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)c(C)c4)o3)n2)cc1 ZINC000096322719 569394915 /nfs/dbraw/zinc/39/49/15/569394915.db2.gz AJWZQHUXMZUCTN-UHFFFAOYSA-N 0 0 440.546 5.309 50 0 IKAARN Cc1cccc(CS(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4Cl)no3)o2)c1 ZINC000096322760 569394921 /nfs/dbraw/zinc/39/49/21/569394921.db2.gz SRJCYKHLQJKURA-UHFFFAOYSA-N 0 0 428.897 5.073 50 0 IKAARN CCOc1ccccc1CNC(=O)C[C@H]1COc2cc(F)ccc2N1Cc1ccc(C)cc1 ZINC000096323106 569395003 /nfs/dbraw/zinc/39/50/03/569395003.db2.gz AYLVBZOLPRASQV-QHCPKHFHSA-N 0 0 448.538 5.007 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@@H]2CC(=O)NCCCc2ccccc2)cc1 ZINC000096323087 569395011 /nfs/dbraw/zinc/39/50/11/569395011.db2.gz MACJOMNGEWJDPO-DEOSSOPVSA-N 0 0 432.539 5.041 50 0 IKAARN O=C(C[C@@H]1COc2cc(F)ccc2N1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000096322992 569395014 /nfs/dbraw/zinc/39/50/14/569395014.db2.gz FNDDNGWGHRMVFO-GOSISDBHSA-N 0 0 433.508 5.232 50 0 IKAARN O=C(C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000096323062 569395057 /nfs/dbraw/zinc/39/50/57/569395057.db2.gz VREOKHIHGDUCIJ-GOSISDBHSA-N 0 0 449.963 5.746 50 0 IKAARN O=C(NCc1cccc(Br)c1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323691 569395369 /nfs/dbraw/zinc/39/53/69/569395369.db2.gz KVAVIXUQJAKDEO-UHFFFAOYSA-N 0 0 440.272 5.403 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc4occc4c(Nc4ccc(F)cc4)n3)C[C@@H]2C)c1 ZINC000096323661 569395376 /nfs/dbraw/zinc/39/53/76/569395376.db2.gz GWDAZRVBKDREAW-SFHVURJKSA-N 0 0 444.510 5.370 50 0 IKAARN COc1ccc(-n2cc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1OC ZINC000096324297 569395854 /nfs/dbraw/zinc/39/58/54/569395854.db2.gz AVDQBHIKJMUAIU-UHFFFAOYSA-N 0 0 439.471 5.033 50 0 IKAARN C[C@H](NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1nc2ccccc2[nH]1 ZINC000096345304 569397222 /nfs/dbraw/zinc/39/72/22/569397222.db2.gz MLQZFZYFTOXQGC-BBRMVZONSA-N 0 0 432.351 5.259 50 0 IKAARN O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096357679 569397425 /nfs/dbraw/zinc/39/74/25/569397425.db2.gz IWNWIDAWEFPECE-UHFFFAOYSA-N 0 0 435.867 5.175 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc(C(F)(F)F)nc1 ZINC000096358322 569397483 /nfs/dbraw/zinc/39/74/83/569397483.db2.gz LFMNGCVXXXJTHK-UHFFFAOYSA-N 0 0 430.411 5.055 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)C1(c2ccccc2)CCOCC1 ZINC000096358273 569397489 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/nfs/dbraw/zinc/39/99/01/569399901.db2.gz WLZCTRSRXUDABP-UHFFFAOYSA-N 0 0 443.494 6.730 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000096399284 569399919 /nfs/dbraw/zinc/39/99/19/569399919.db2.gz FCVJFNQPVYNORZ-UHFFFAOYSA-N 0 0 441.000 5.627 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc(-c3c(C)c4ccccc4n3CC)[nH]n2)cc1OCC ZINC000096400278 569400372 /nfs/dbraw/zinc/40/03/72/569400372.db2.gz ORYNLZADBNTNDP-UHFFFAOYSA-N 0 0 432.524 5.409 50 0 IKAARN Cc1c([C@@H](C)NC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)cnn1-c1ccccc1 ZINC000096402592 569400489 /nfs/dbraw/zinc/40/04/89/569400489.db2.gz DPEXSYREVIOVMD-QTXHJTIISA-N 0 0 438.531 5.045 50 0 IKAARN Cc1c([C@H](C)NC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)cnn1-c1ccccc1 ZINC000096402593 569400525 /nfs/dbraw/zinc/40/05/25/569400525.db2.gz DPEXSYREVIOVMD-JDQHYLEWSA-N 0 0 438.531 5.045 50 0 IKAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C=Cc1ccc(-c2ccccc2Cl)s1 ZINC000096401499 569400529 /nfs/dbraw/zinc/40/05/29/569400529.db2.gz UCZWKYQCAPEWKC-CLFYSBASSA-N 0 0 441.965 5.038 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C ZINC000021811505 569400795 /nfs/dbraw/zinc/40/07/95/569400795.db2.gz OGSNZCWXZMEMQV-QBRWATLLSA-N 0 0 447.579 5.211 50 0 IKAARN COc1ccc2c(c1)C(N1CCCN(C(=O)c3ccccc3)CC1)=Nc1ccc(C)cc1O2 ZINC000096499449 569401024 /nfs/dbraw/zinc/40/10/24/569401024.db2.gz DFYMWDQCNMOBGS-UHFFFAOYSA-N 0 0 441.531 5.036 50 0 IKAARN O=C(O/C(=C/c1nccn1Cc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000096562071 569401026 /nfs/dbraw/zinc/40/10/26/569401026.db2.gz MHWBPBKBOOJFME-XQNSMLJCSA-N 0 0 449.337 6.593 50 0 IKAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000096499408 569401038 /nfs/dbraw/zinc/40/10/38/569401038.db2.gz XUWAXIDQLYMUNT-UHFFFAOYSA-N 0 0 435.568 5.158 50 0 IKAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000096499430 569401057 /nfs/dbraw/zinc/40/10/57/569401057.db2.gz CDOIZSOYHABIGD-UHFFFAOYSA-N 0 0 447.579 5.302 50 0 IKAARN COc1ccc(C2=NN(c3ccccc3F)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000096562163 569401075 /nfs/dbraw/zinc/40/10/75/569401075.db2.gz BGAFLJRTYLSTIM-QFIPXVFZSA-N 0 0 425.301 5.953 50 0 IKAARN O=C(CSc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC000096562563 569401149 /nfs/dbraw/zinc/40/11/49/569401149.db2.gz AZEARQABGSPYCD-UHFFFAOYSA-N 0 0 445.569 5.217 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)c(C)c1 ZINC000096562461 569401153 /nfs/dbraw/zinc/40/11/53/569401153.db2.gz YRJAZXFGTUZVLE-UHFFFAOYSA-N 0 0 428.513 5.610 50 0 IKAARN COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1OC ZINC000096562340 569401177 /nfs/dbraw/zinc/40/11/77/569401177.db2.gz YAHCNVMKTWLGCK-FQEVSTJZSA-N 0 0 430.331 6.437 50 0 IKAARN CCCC[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000096564072 569401240 /nfs/dbraw/zinc/40/12/40/569401240.db2.gz UKWKRGITTWWFGQ-LZYPDUGYSA-N 0 0 426.560 6.676 50 0 IKAARN FC(F)(F)c1cccc(-c2nc3ccccc3c(NCc3ccc(C(F)(F)F)nc3)n2)c1 ZINC000096564288 569401308 /nfs/dbraw/zinc/40/13/08/569401308.db2.gz KAEPNIZPWYIPMZ-UHFFFAOYSA-N 0 0 448.370 6.342 50 0 IKAARN O=C(c1cccs1)N(CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccc1 ZINC000096564632 569401354 /nfs/dbraw/zinc/40/13/54/569401354.db2.gz QHOODCZTXPUWEX-UHFFFAOYSA-N 0 0 440.524 5.234 50 0 IKAARN COc1ccc(/C(C)=C/[C@@](C)(CC(C)(C)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000096576534 569401369 /nfs/dbraw/zinc/40/13/69/569401369.db2.gz PUBDJFKTFGQVMO-LZEGAIEZSA-N 0 0 444.615 7.442 50 0 IKAARN O=C1[C@H](C(OCc2ccccc2)=C(F)F)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000096576559 569401430 /nfs/dbraw/zinc/40/14/30/569401430.db2.gz BJPNNCFFOKZBGS-SFTDATJTSA-N 0 0 425.862 6.369 50 0 IKAARN O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccccn1 ZINC000096572046 569401436 /nfs/dbraw/zinc/40/14/36/569401436.db2.gz HIQHXUZSBVOFCG-ZDUSSCGKSA-N 0 0 447.071 5.292 50 0 IKAARN COc1ccc([C@@]23C[C@H](c4ccccc4)Nc4ccccc4N2C(c2ccccc2)=NO3)cc1 ZINC000096568838 569401448 /nfs/dbraw/zinc/40/14/48/569401448.db2.gz NUGRAODPJRJXDI-UHSQPCAPSA-N 0 0 447.538 6.304 50 0 IKAARN Clc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)ncc2-c2ccccc2)cc1 ZINC000096568846 569401457 /nfs/dbraw/zinc/40/14/57/569401457.db2.gz SRIQABRPPGGDJY-UHFFFAOYSA-N 0 0 426.951 5.791 50 0 IKAARN COc1ccc([C@]23C[C@@H](c4ccccc4)Nc4ccccc4N2C(c2ccccc2)=NO3)cc1 ZINC000096568841 569401468 /nfs/dbraw/zinc/40/14/68/569401468.db2.gz NUGRAODPJRJXDI-LITSAYRRSA-N 0 0 447.538 6.304 50 0 IKAARN CCOC(=O)C1=C(C)N(C(=O)c2ccccc2)C(SC)=N[C@@H]1c1cccc(Cl)c1 ZINC000096580092 569401560 /nfs/dbraw/zinc/40/15/60/569401560.db2.gz FSXKWCKFZGYQLO-LJQANCHMSA-N 0 0 428.941 5.093 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000096579733 569401569 /nfs/dbraw/zinc/40/15/69/569401569.db2.gz CVNVBKMDBOADFA-ORMMXULVSA-N 0 0 425.747 5.173 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000096576696 569401583 /nfs/dbraw/zinc/40/15/83/569401583.db2.gz CEPNUEGQICCBSW-OAQYLSRUSA-N 0 0 440.894 5.084 50 0 IKAARN O=C(Nc1cc(NC(=O)c2ccc(F)cc2)cc(Oc2cccnc2)c1)c1ccc(F)cc1 ZINC000096576768 569401598 /nfs/dbraw/zinc/40/15/98/569401598.db2.gz ILVOXCAKKZMVFR-UHFFFAOYSA-N 0 0 445.425 5.657 50 0 IKAARN CN1[C@@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@H]1c1ccccc1 ZINC000096580374 569401650 /nfs/dbraw/zinc/40/16/50/569401650.db2.gz RFLHEKITURKEQY-KAYWLYCHSA-N 0 0 437.633 7.514 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1Br ZINC000096580990 569401657 /nfs/dbraw/zinc/40/16/57/569401657.db2.gz KFTMUCGAPAFVQB-UHFFFAOYSA-N 0 0 425.257 5.957 50 0 IKAARN COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccco2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000096580642 569401662 /nfs/dbraw/zinc/40/16/62/569401662.db2.gz ZBDBJIKHVGTXCW-SZFYIJICSA-N 0 0 442.515 5.734 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000096580602 569401682 /nfs/dbraw/zinc/40/16/82/569401682.db2.gz AEFNSSKWVSOAFZ-GGAORHGYSA-N 0 0 436.342 6.549 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc32)N1c1cccc(OC)c1 ZINC000096582336 569401826 /nfs/dbraw/zinc/40/18/26/569401826.db2.gz KKTAGFBBBWJQPV-RUZDIDTESA-N 0 0 440.503 5.079 50 0 IKAARN Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)O[C@@H](O)c2ccccc21 ZINC000096592230 569401914 /nfs/dbraw/zinc/40/19/14/569401914.db2.gz XQTWLYMVRXGKIO-HHHXNRCGSA-N 0 0 432.560 6.274 50 0 IKAARN N#CN1[C@@H](c2ccccc2)CC2(c3ccccc3-c3ccccc32)N1c1ccc(Cl)cc1 ZINC000096593758 569401987 /nfs/dbraw/zinc/40/19/87/569401987.db2.gz XOJUJIYJMXUJNG-HHHXNRCGSA-N 0 0 433.942 6.914 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000096594083 569402147 /nfs/dbraw/zinc/40/21/47/569402147.db2.gz FGGOYBWGTMSZOV-UHFFFAOYSA-N 0 0 447.494 5.722 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1Cl ZINC000334162349 569402229 /nfs/dbraw/zinc/40/22/29/569402229.db2.gz MXFQNMKILALZFT-QGZVFWFLSA-N 0 0 434.323 5.569 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000334162901 569402266 /nfs/dbraw/zinc/40/22/66/569402266.db2.gz GUSJXNWSHHRSEM-LJAQVGFWSA-N 0 0 428.535 7.202 50 0 IKAARN O=C1CC[C@@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000334163606 569402272 /nfs/dbraw/zinc/40/22/72/569402272.db2.gz YTIDPCQJBNNLKQ-QFIPXVFZSA-N 0 0 435.354 7.005 50 0 IKAARN O=C(/C=C\c1cccc2cccnc12)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000096941140 569402636 /nfs/dbraw/zinc/40/26/36/569402636.db2.gz IIQKRHZZUQQXOC-VMAVNYORSA-N 0 0 441.458 5.738 50 0 IKAARN O=C(/C=C\c1cccc2cccnc12)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000096941139 569402668 /nfs/dbraw/zinc/40/26/68/569402668.db2.gz IIQKRHZZUQQXOC-FRSJXWKWSA-N 0 0 441.458 5.738 50 0 IKAARN COc1cc(/C=C\C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)ccc1OCC(C)C ZINC000096991409 569402770 /nfs/dbraw/zinc/40/27/70/569402770.db2.gz JVJMBRDJTZUFQB-UVTDQMKNSA-N 0 0 433.552 5.493 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000097165263 569403369 /nfs/dbraw/zinc/40/33/69/569403369.db2.gz UIKQZMJNZJHFRM-IBGZPJMESA-N 0 0 426.925 5.410 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 ZINC000027913867 569403642 /nfs/dbraw/zinc/40/36/42/569403642.db2.gz VOYQBRZGLRLQAI-UHFFFAOYSA-N 0 0 428.941 6.512 50 0 IKAARN Cc1ccc(-n2c(SCc3nc(-c4cccc(C)c4)no3)nc3ccccc3c2=O)cc1 ZINC000225529546 569403645 /nfs/dbraw/zinc/40/36/45/569403645.db2.gz LVAXFIXKOWBZGZ-UHFFFAOYSA-N 0 0 440.528 5.345 50 0 IKAARN CCCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000225532296 569403701 /nfs/dbraw/zinc/40/37/01/569403701.db2.gz AHBUNCPXAKVPMF-UHFFFAOYSA-N 0 0 440.956 5.582 50 0 IKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000002465729 569403798 /nfs/dbraw/zinc/40/37/98/569403798.db2.gz WLSYWURXFBAYKG-CQSZACIVSA-N 0 0 428.623 5.719 50 0 IKAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000225541393 569404026 /nfs/dbraw/zinc/40/40/26/569404026.db2.gz BQGNGROLVBKHKB-SFHVURJKSA-N 0 0 443.469 5.088 50 0 IKAARN C=Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2Cc2ccccc2)cc1 ZINC000225543325 569404032 /nfs/dbraw/zinc/40/40/32/569404032.db2.gz WAUUKMRSNFATSL-UHFFFAOYSA-N 0 0 449.579 6.375 50 0 IKAARN COc1ccc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000055393852 569404236 /nfs/dbraw/zinc/40/42/36/569404236.db2.gz CAVNPRICFDZDDE-UHFFFAOYSA-N 0 0 427.500 5.053 50 0 biogenic IKAARN CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000002488336 569405214 /nfs/dbraw/zinc/40/52/14/569405214.db2.gz FBOBPAVSBMZSGP-UHFFFAOYSA-N 0 0 438.886 5.037 50 0 IKAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(-c2ccsc2)cc1 ZINC000225620118 569405805 /nfs/dbraw/zinc/40/58/05/569405805.db2.gz JNMHWRIVPZJFAD-NRFANRHFSA-N 0 0 432.545 5.445 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc2nc(-c3ccccc3)oc2nc1C ZINC000225626038 569405945 /nfs/dbraw/zinc/40/59/45/569405945.db2.gz SVNWYJVWZIWDJR-UHFFFAOYSA-N 0 0 444.878 6.067 50 0 IKAARN O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Sc1ccc(Br)cc1 ZINC000002505816 569406365 /nfs/dbraw/zinc/40/63/65/569406365.db2.gz FDGYOPXTRNZGCI-UHFFFAOYSA-N 0 0 435.346 6.266 50 0 IKAARN Cc1ccccc1-c1nnc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)o1 ZINC000028075429 569407182 /nfs/dbraw/zinc/40/71/82/569407182.db2.gz VZXLORRSJMIVQP-GFCCVEGCSA-N 0 0 436.518 5.456 50 0 IKAARN Cc1ccccc1[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)c1ccccc1 ZINC000028190354 569408944 /nfs/dbraw/zinc/40/89/44/569408944.db2.gz NEHOISJDYDMDPS-NRFANRHFSA-N 0 0 434.590 5.072 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccc(F)cc2)c1C ZINC000002546423 569408953 /nfs/dbraw/zinc/40/89/53/569408953.db2.gz DOWPCTVVLPTYDE-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccccc2F)c1C ZINC000002546492 569408984 /nfs/dbraw/zinc/40/89/84/569408984.db2.gz WNXVJYISMNLIJU-QHCPKHFHSA-N 0 0 431.536 6.353 50 0 IKAARN CCCCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000002541833 569408993 /nfs/dbraw/zinc/40/89/93/569408993.db2.gz RXZOAPHZRBHURC-UHFFFAOYSA-N 0 0 435.380 5.783 50 0 IKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000028228424 569409219 /nfs/dbraw/zinc/40/92/19/569409219.db2.gz GTQZTLIMROFRRH-UHFFFAOYSA-N 0 0 449.507 5.008 50 0 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NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000002658855 569415798 /nfs/dbraw/zinc/41/57/98/569415798.db2.gz AUKWLPFUSRBHCG-UHFFFAOYSA-N 0 0 442.949 5.791 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1Cc1ccccc1 ZINC000002660743 569415989 /nfs/dbraw/zinc/41/59/89/569415989.db2.gz AZYJTCGJZKIAOQ-DEOSSOPVSA-N 0 0 442.588 5.724 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1Sc1ccccc1 ZINC000002660273 569416003 /nfs/dbraw/zinc/41/60/03/569416003.db2.gz CRNIPYUFBRQKFT-UHFFFAOYSA-N 0 0 425.560 5.680 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c(C)n1C ZINC000002660790 569416076 /nfs/dbraw/zinc/41/60/76/569416076.db2.gz JUVRJKDILNTWFC-UHFFFAOYSA-N 0 0 434.540 5.063 50 0 IKAARN CCc1nnc(NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)s1 ZINC000002664235 569416361 /nfs/dbraw/zinc/41/63/61/569416361.db2.gz QRNKXPCDADCWJV-UHFFFAOYSA-N 0 0 438.336 5.247 50 0 IKAARN O=c1c2ccc(OCc3ccccc3Cl)cc2oc(C(F)(F)F)c1-c1ccccc1 ZINC000002666298 569416630 /nfs/dbraw/zinc/41/66/30/569416630.db2.gz HUTOTNCHTOYFJR-UHFFFAOYSA-N 0 0 430.809 6.711 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(C)c4)cc2-3)OCO5)cc1 ZINC000002687749 569416840 /nfs/dbraw/zinc/41/68/40/569416840.db2.gz QBBZZFCBCAZLDK-UHFFFAOYSA-N 0 0 437.499 5.687 50 0 IKAARN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)cc(C(=O)c1ccc(C)c(C)c1)c2=O ZINC000002691240 569416997 /nfs/dbraw/zinc/41/69/97/569416997.db2.gz NCYKRZZAWQKNRW-UHFFFAOYSA-N 0 0 441.527 5.223 50 0 IKAARN COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 ZINC000002690645 569417008 /nfs/dbraw/zinc/41/70/08/569417008.db2.gz BJKCWXHBRPIHDN-UHFFFAOYSA-N 0 0 427.435 5.128 50 0 IKAARN COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC ZINC000002691323 569417197 /nfs/dbraw/zinc/41/71/97/569417197.db2.gz AVAMDHSIWFBDQP-UHFFFAOYSA-N 0 0 427.479 5.716 50 0 IKAARN O=C(c1ccccc1)c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(F)cc1 ZINC000002705673 569417463 /nfs/dbraw/zinc/41/74/63/569417463.db2.gz NTZBFFDMHBZLHH-UHFFFAOYSA-N 0 0 425.868 5.091 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)C(C)(C)C)c1Sc1c(F)c(F)c(F)c(F)c1F ZINC000002718663 569418031 /nfs/dbraw/zinc/41/80/31/569418031.db2.gz SOCZLWSMXHWIOX-UHFFFAOYSA-N 0 0 436.446 5.745 50 0 IKAARN COc1cc(OC)cc(C(=O)Oc2c(Sc3ccc(C)cc3)c(C)nn2C(C)(C)C)c1 ZINC000002718648 569418047 /nfs/dbraw/zinc/41/80/47/569418047.db2.gz DOHSZWPWQATTAE-UHFFFAOYSA-N 0 0 440.565 5.643 50 0 IKAARN CC(C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721652 569418145 /nfs/dbraw/zinc/41/81/45/569418145.db2.gz JEAVUMXCPIGATR-UHFFFAOYSA-N 0 0 438.368 5.437 50 0 IKAARN Cc1cccn2c(=O)c3cc(C(=O)N(Cc4ccccc4)Cc4ccccc4)sc3nc12 ZINC000002722894 569418289 /nfs/dbraw/zinc/41/82/89/569418289.db2.gz PZCQWQLFIJYWJE-UHFFFAOYSA-N 0 0 439.540 5.060 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000002724221 569418320 /nfs/dbraw/zinc/41/83/20/569418320.db2.gz IOELIYOZBVNLJO-JOCHJYFZSA-N 0 0 442.412 5.337 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1c(F)cccc1Cl)CC(=O)N2 ZINC000002724242 569418326 /nfs/dbraw/zinc/41/83/26/569418326.db2.gz NMAQMDREQSGBLW-QFIPXVFZSA-N 0 0 426.850 5.111 50 0 IKAARN CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721873 569418333 /nfs/dbraw/zinc/41/83/33/569418333.db2.gz LVGXZPBPUVSVES-UHFFFAOYSA-N 0 0 428.329 5.030 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1c(F)cccc1Cl)CC(=O)N2 ZINC000002724241 569418365 /nfs/dbraw/zinc/41/83/65/569418365.db2.gz NMAQMDREQSGBLW-JOCHJYFZSA-N 0 0 426.850 5.111 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)Nc3ccccc3C)c2c1 ZINC000002722570 569418377 /nfs/dbraw/zinc/41/83/77/569418377.db2.gz XLBVWEMCAVFUEF-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1cc(C)cc(C)c1 ZINC000002722353 569418380 /nfs/dbraw/zinc/41/83/80/569418380.db2.gz QVNANAAPMKTARG-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN Cc1cccc2sc(NC(=O)N[C@@]3(C(F)(F)F)Oc4ccc(Cl)cc4O3)nc21 ZINC000002725367 569418416 /nfs/dbraw/zinc/41/84/16/569418416.db2.gz HKQGPUVVHCUONK-KRWDZBQOSA-N 0 0 429.807 5.067 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000002725269 569418462 /nfs/dbraw/zinc/41/84/62/569418462.db2.gz AMCCCDVOFJUSAC-UHFFFAOYSA-N 0 0 426.700 5.168 50 0 IKAARN O=C(CCCc1ccccc1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724479 569418484 /nfs/dbraw/zinc/41/84/84/569418484.db2.gz RPNHQWLPWKULGX-RUZDIDTESA-N 0 0 436.914 5.372 50 0 IKAARN COC(=O)c1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)c1 ZINC000002733417 569419583 /nfs/dbraw/zinc/41/95/83/569419583.db2.gz KWASKUCJXHSNJE-UHFFFAOYSA-N 0 0 438.571 6.594 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC ZINC000002733419 569419678 /nfs/dbraw/zinc/41/96/78/569419678.db2.gz BGJRFEMAVWVZPN-UHFFFAOYSA-N 0 0 448.494 5.688 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3nc(-c4ccccc4)cs3)n2)cc1C ZINC000002733530 569419734 /nfs/dbraw/zinc/41/97/34/569419734.db2.gz WKMMKLBEGIMHMC-UHFFFAOYSA-N 0 0 435.596 7.563 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000002733553 569419743 /nfs/dbraw/zinc/41/97/43/569419743.db2.gz RJKIWYVJVWTPES-UHFFFAOYSA-N 0 0 425.315 6.530 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C(=O)O2)cc1 ZINC000002745178 569420023 /nfs/dbraw/zinc/42/00/23/569420023.db2.gz CPYJYQJQUKLJPB-LFVJCYFKSA-N 0 0 429.491 6.047 50 0 IKAARN O=C(c1ccc(COc2ccc3ccccc3c2)o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002752586 569420214 /nfs/dbraw/zinc/42/02/14/569420214.db2.gz CFNBWYXKGKNKHM-UHFFFAOYSA-N 0 0 447.534 6.854 50 0 IKAARN Cc1cc(OCC(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)cc(C)c1Cl ZINC000002752096 569420299 /nfs/dbraw/zinc/42/02/99/569420299.db2.gz LZXFVBIPVDIMBA-IBGZPJMESA-N 0 0 430.784 5.917 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(=O)C(C)C ZINC000002753028 569420403 /nfs/dbraw/zinc/42/04/03/569420403.db2.gz RPRPDYUQQOJQTJ-BKUYFWCQSA-N 0 0 429.472 5.144 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)cc12 ZINC000002762684 569420598 /nfs/dbraw/zinc/42/05/98/569420598.db2.gz LHRJBPXFYTXMRL-UHFFFAOYSA-N 0 0 444.403 6.254 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002770196 569420755 /nfs/dbraw/zinc/42/07/55/569420755.db2.gz NQKBHAJMOOTABW-UHFFFAOYSA-N 0 0 437.478 5.176 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(COc2ccc3c(c2)CCC3)c1 ZINC000002769836 569420791 /nfs/dbraw/zinc/42/07/91/569420791.db2.gz BLSGNSUIVHPYFH-UHFFFAOYSA-N 0 0 427.422 5.905 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OC(=O)c1cccnc1 ZINC000028795732 569420823 /nfs/dbraw/zinc/42/08/23/569420823.db2.gz BUCSLMJLPZORSB-RUZDIDTESA-N 0 0 448.482 5.299 50 0 IKAARN O=C(Nc1ccc(Br)cc1Cl)c1cc2nc(C3CC3)cc(C(F)F)n2n1 ZINC000002781876 569421211 /nfs/dbraw/zinc/42/12/11/569421211.db2.gz DCEBIMGGLKPMII-UHFFFAOYSA-N 0 0 441.663 5.213 50 0 IKAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002780701 569421233 /nfs/dbraw/zinc/42/12/33/569421233.db2.gz ANRWZNCIRAKVGO-UHFFFAOYSA-N 0 0 448.256 5.998 50 0 IKAARN O=C(NCc1ccncc1)c1sc2c(c1Cl)c(OC(F)F)ccc2Br ZINC000002783796 569421300 /nfs/dbraw/zinc/42/13/00/569421300.db2.gz HNFGMYXEBNJPCO-UHFFFAOYSA-N 0 0 447.688 5.244 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nnc(-c5ccccc5)o4)cc3n2)s1 ZINC000002785587 569421378 /nfs/dbraw/zinc/42/13/78/569421378.db2.gz UDOSGFGBQFWXNC-UHFFFAOYSA-N 0 0 441.438 5.756 50 0 IKAARN Cc1nn(CCc2nnc(-c3sc4cc(Cl)ccc4c3Cl)o2)c(C)c1Cl ZINC000002786495 569421457 /nfs/dbraw/zinc/42/14/57/569421457.db2.gz LTQNADLFRPJZTA-UHFFFAOYSA-N 0 0 427.744 5.968 50 0 IKAARN Cc1ccccc1N1C(=S)N=NC1c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F ZINC000002791087 569421753 /nfs/dbraw/zinc/42/17/53/569421753.db2.gz WOUVXPUBOWHFTO-SJLPKXTDSA-N 0 0 438.507 5.091 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(COc3ccc4c(c3)CCC4)o2)NC1=S ZINC000002791799 569421897 /nfs/dbraw/zinc/42/18/97/569421897.db2.gz PFYPTQMGZJZTMD-WMWHPZEKSA-N 0 0 444.556 5.577 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(COc3ccc4c(c3)CCC4)o2)NC1=S ZINC000002791797 569421916 /nfs/dbraw/zinc/42/19/16/569421916.db2.gz PFYPTQMGZJZTMD-HZRSJKMUSA-N 0 0 444.556 5.577 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000002793864 569422008 /nfs/dbraw/zinc/42/20/08/569422008.db2.gz MRPSRGWJQHYZCO-UHFFFAOYSA-N 0 0 435.883 5.438 50 0 IKAARN Cc1ccc(NC(=O)c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)c(C)c1 ZINC000002797705 569422214 /nfs/dbraw/zinc/42/22/14/569422214.db2.gz QDXXKEDJIQMDMH-OAHLLOKOSA-N 0 0 433.581 5.359 50 0 IKAARN Fc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)c(F)c1 ZINC000002796696 569422225 /nfs/dbraw/zinc/42/22/25/569422225.db2.gz AISALWYITZCOLW-UHFFFAOYSA-N 0 0 438.459 5.335 50 0 IKAARN CCn1ncc(-c2cc(C(=O)Nc3ccc(F)cc3OC(F)F)c3ccccc3n2)c1C ZINC000002805320 569422615 /nfs/dbraw/zinc/42/26/15/569422615.db2.gz IMBYQFVQTQLEKO-UHFFFAOYSA-N 0 0 440.425 5.419 50 0 IKAARN O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)Nc1c(Cl)cccc1Cl ZINC000002805440 569422689 /nfs/dbraw/zinc/42/26/89/569422689.db2.gz CQDVJUPYEMKGJG-UHFFFAOYSA-N 0 0 440.355 6.334 50 0 IKAARN Cc1c2cc(Cl)c(OCC(=O)OCc3ccccc3)cc2oc(=O)c1Cc1ccccc1 ZINC000002812022 569423043 /nfs/dbraw/zinc/42/30/43/569423043.db2.gz XYBOUAJUZPCHOO-UHFFFAOYSA-N 0 0 448.902 5.468 50 0 IKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCCOc2ccccc2Cl)c1 ZINC000002823457 569423148 /nfs/dbraw/zinc/42/31/48/569423148.db2.gz RFAXBTOWRVUMGH-RCCKNPSSSA-N 0 0 437.854 5.281 50 0 IKAARN COc1ccc(C(=O)c2ccc(C(=O)c3ccc(OC)c4ccccc34)cc2)c2ccccc12 ZINC000002842631 569423335 /nfs/dbraw/zinc/42/33/35/569423335.db2.gz NRYSLAWIBSXDHJ-UHFFFAOYSA-N 0 0 446.502 6.472 50 0 biogenic IKAARN O=C([O-])[C@@H]1CCC[N@H+](CCO[C@@H](c2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000216008566 569423344 /nfs/dbraw/zinc/42/33/44/569423344.db2.gz JKIRRUZTMFSVDW-XLIONFOSSA-N 0 0 441.877 5.261 50 0 IKAARN CCOc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 ZINC000002887585 569424158 /nfs/dbraw/zinc/42/41/58/569424158.db2.gz XEBBGAJEMGIJBG-UHFFFAOYSA-N 0 0 436.364 5.490 50 0 IKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 ZINC000002887745 569424211 /nfs/dbraw/zinc/42/42/11/569424211.db2.gz QRUZSZKIQMOPRO-UHFFFAOYSA-N 0 0 439.890 5.765 50 0 IKAARN O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000002887762 569424213 /nfs/dbraw/zinc/42/42/13/569424213.db2.gz WIOYRMUDDGANRB-UHFFFAOYSA-N 0 0 443.853 5.596 50 0 IKAARN CCCCc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 ZINC000002887588 569424223 /nfs/dbraw/zinc/42/42/23/569424223.db2.gz FTJYLNPAKOEHAO-UHFFFAOYSA-N 0 0 448.419 6.434 50 0 IKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccccc1Cl ZINC000002889762 569424349 /nfs/dbraw/zinc/42/43/49/569424349.db2.gz RPXXMBNKOPLNMI-UHFFFAOYSA-N 0 0 436.316 5.526 50 0 IKAARN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1c(C)ccc(C)c1C ZINC000002889796 569424387 /nfs/dbraw/zinc/42/43/87/569424387.db2.gz PTRQTDNPVPNWNQ-UHFFFAOYSA-N 0 0 439.533 5.153 50 0 IKAARN COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)cc1 ZINC000002895472 569424412 /nfs/dbraw/zinc/42/44/12/569424412.db2.gz XFJVJDABWUYLTP-MRXNPFEDSA-N 0 0 448.613 5.873 50 0 IKAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002908821 569424598 /nfs/dbraw/zinc/42/45/98/569424598.db2.gz OEDOYGXEIOKMFN-UHFFFAOYSA-N 0 0 447.368 5.729 50 0 IKAARN Cc1c(C(=O)Nc2cccc3ccccc32)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911179 569424799 /nfs/dbraw/zinc/42/47/99/569424799.db2.gz UYIJINITQHPHEA-UHFFFAOYSA-N 0 0 443.503 5.359 50 0 IKAARN CCn1cnc2sc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)c(C)c2c1=O ZINC000002910861 569424837 /nfs/dbraw/zinc/42/48/37/569424837.db2.gz UXAHPUHUIPLDHF-UHFFFAOYSA-N 0 0 439.924 5.484 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000002911389 569424931 /nfs/dbraw/zinc/42/49/31/569424931.db2.gz QQGYRKCTCSLDQY-UHFFFAOYSA-N 0 0 433.581 5.411 50 0 IKAARN O=C(NC1CCCCCCC1)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl ZINC000002912729 569424937 /nfs/dbraw/zinc/42/49/37/569424937.db2.gz CASFXAOWAVNOJL-QFIPXVFZSA-N 0 0 428.935 5.405 50 0 IKAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c1 ZINC000002915245 569425066 /nfs/dbraw/zinc/42/50/66/569425066.db2.gz OCLBQSJMTUEIDD-DNQXCXABSA-N 0 0 442.906 5.153 50 0 IKAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)c1 ZINC000002915241 569425102 /nfs/dbraw/zinc/42/51/02/569425102.db2.gz OCLBQSJMTUEIDD-ZEQRLZLVSA-N 0 0 442.906 5.153 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000002915131 569425144 /nfs/dbraw/zinc/42/51/44/569425144.db2.gz JUJUXASPKXSVIW-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN COc1cccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc4ccccc4n32)c1OC(F)F ZINC000002918581 569425237 /nfs/dbraw/zinc/42/52/37/569425237.db2.gz SRHTVVDWVLQCFN-FQEVSTJZSA-N 0 0 437.421 5.841 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2)n1-c1cccc(Cl)c1Cl ZINC000002916842 569425324 /nfs/dbraw/zinc/42/53/24/569425324.db2.gz DTCGKFPCLKBQGT-UHFFFAOYSA-N 0 0 437.348 6.185 50 0 IKAARN CCOC(=O)c1sc2nc(Cc3ccccc3)nc(Nc3ccc(OCC)cc3)c2c1C ZINC000002921841 569425387 /nfs/dbraw/zinc/42/53/87/569425387.db2.gz SPQPDDPORSGEOX-UHFFFAOYSA-N 0 0 447.560 5.910 50 0 IKAARN CCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1c3ccccc3Oc3ccccc31)C2=O ZINC000002922026 569425408 /nfs/dbraw/zinc/42/54/08/569425408.db2.gz IZYFVZIWGZWCJJ-UHFFFAOYSA-N 0 0 441.483 5.525 50 0 IKAARN O=C(N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000002923653 569425487 /nfs/dbraw/zinc/42/54/87/569425487.db2.gz FIJVDFVBLZYGNV-AWEZNQCLSA-N 0 0 439.589 5.668 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2cc(C)cc(C)c2)c1C ZINC000002928539 569425886 /nfs/dbraw/zinc/42/58/86/569425886.db2.gz GGFIZKCURCBBNQ-UHFFFAOYSA-N 0 0 434.536 5.294 50 0 IKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3N3CCCC3)c12 ZINC000029073908 569425922 /nfs/dbraw/zinc/42/59/22/569425922.db2.gz GLYXWIZAXDUVDK-UHFFFAOYSA-N 0 0 432.549 5.132 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2cc(Cl)ccc2OC)c1C ZINC000002928832 569426034 /nfs/dbraw/zinc/42/60/34/569426034.db2.gz NKAOYHBLRBHNAH-UHFFFAOYSA-N 0 0 440.927 5.331 50 0 IKAARN COc1ccc(-n2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1 ZINC000002937502 569426260 /nfs/dbraw/zinc/42/62/60/569426260.db2.gz NNCNUJWBPKILBA-UHFFFAOYSA-N 0 0 438.405 5.270 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12 ZINC000002938169 569426384 /nfs/dbraw/zinc/42/63/84/569426384.db2.gz SUFUBEAUJRLDMT-UHFFFAOYSA-N 0 0 446.934 5.830 50 0 IKAARN O=C(Nc1ccc(F)cc1Cl)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000002937894 569426442 /nfs/dbraw/zinc/42/64/42/569426442.db2.gz VLGXVXLTGPMLLN-UHFFFAOYSA-N 0 0 427.262 5.689 50 0 IKAARN Cc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(Br)c1 ZINC000002940001 569426563 /nfs/dbraw/zinc/42/65/63/569426563.db2.gz UCJXSBYLCCHPDK-UHFFFAOYSA-N 0 0 434.289 5.783 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000002940082 569426647 /nfs/dbraw/zinc/42/66/47/569426647.db2.gz BUEOTMXUHWGOEC-KRWDZBQOSA-N 0 0 426.822 5.099 50 0 IKAARN CN(C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)c1ccc(Br)cc1 ZINC000002940151 569426687 /nfs/dbraw/zinc/42/66/87/569426687.db2.gz QKFUKCPQQKSTMU-UHFFFAOYSA-N 0 0 434.289 5.499 50 0 IKAARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(NCCc2ccccc2)n1 ZINC000002941525 569426797 /nfs/dbraw/zinc/42/67/97/569426797.db2.gz YCARBWFAVNGOFK-UHFFFAOYSA-N 0 0 442.588 5.035 50 0 IKAARN Cc1cc(N2C(=O)CS[C@H]2c2cccc(Br)c2)ccc1Br ZINC000002947439 569427067 /nfs/dbraw/zinc/42/70/67/569427067.db2.gz LHTRCPFXDLEATI-INIZCTEOSA-N 0 0 427.161 5.299 50 0 IKAARN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1Br ZINC000002945731 569426893 /nfs/dbraw/zinc/42/68/93/569426893.db2.gz CISBCXUIISGPKB-VGOFMYFVSA-N 0 0 427.081 5.109 50 0 IKAARN CCCCOc1ccc(C2=NC(=CNc3cc(Cl)c(Cl)cc3Cl)C(=O)O2)cc1 ZINC000002947019 569427068 /nfs/dbraw/zinc/42/70/68/569427068.db2.gz MOZINOZTKPNJRJ-WQRHYEAKSA-N 0 0 439.726 6.083 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000002948434 569427089 /nfs/dbraw/zinc/42/70/89/569427089.db2.gz QCBXPFHQRAXEPM-PMAPCBKXSA-N 0 0 434.605 6.339 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1 ZINC000002948460 569427138 /nfs/dbraw/zinc/42/71/38/569427138.db2.gz KOHWSCQYNYUZPL-UHFFFAOYSA-N 0 0 444.556 5.723 50 0 IKAARN CC[C@H](Cc1ccccc1)NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000002948345 569427180 /nfs/dbraw/zinc/42/71/80/569427180.db2.gz ICFHHEPOOAAFKB-HSZRJFAPSA-N 0 0 444.604 5.034 50 0 IKAARN O=C1CS[C@@H](c2cc3c(cc2Br)OCO3)N1c1ccc(Cl)c(Cl)c1 ZINC000002949662 569427258 /nfs/dbraw/zinc/42/72/58/569427258.db2.gz SVIRPHMGKYBJOO-INIZCTEOSA-N 0 0 447.137 5.263 50 0 IKAARN CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)C1 ZINC000226666981 569427524 /nfs/dbraw/zinc/42/75/24/569427524.db2.gz ATZFDDWHFVQWFV-JICQUXPRSA-N 0 0 441.571 5.606 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056945661 569428091 /nfs/dbraw/zinc/42/80/91/569428091.db2.gz UXNOJJHAQUOSBT-DEOSSOPVSA-N 0 0 449.570 5.010 50 0 IKAARN Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 ZINC000057015951 569429159 /nfs/dbraw/zinc/42/91/59/569429159.db2.gz KEBYHGNSWSGQQM-YKSBVNFPSA-N 0 0 434.609 5.130 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc3c(c2oc1C(F)(F)F)CN(CC(C)C)CO3 ZINC000057173080 569429940 /nfs/dbraw/zinc/42/99/40/569429940.db2.gz OVEXPROPLDWSBK-UHFFFAOYSA-N 0 0 433.426 5.295 50 0 IKAARN CC(C)OCCCN1COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2C1 ZINC000057173024 569429941 /nfs/dbraw/zinc/42/99/41/569429941.db2.gz TXWKAXWNFRXTCN-UHFFFAOYSA-N 0 0 447.453 5.446 50 0 IKAARN COC(=O)c1cccc(CS[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1 ZINC000029374344 569429964 /nfs/dbraw/zinc/42/99/64/569429964.db2.gz WONJZOOTHMYFLU-GFCCVEGCSA-N 0 0 426.519 5.026 50 0 IKAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000057270730 569430260 /nfs/dbraw/zinc/43/02/60/569430260.db2.gz RPFTTYQLAUUDEA-UHFFFAOYSA-N 0 0 443.591 5.132 50 0 IKAARN COc1cccc2cc(-c3nc(-c4ccc(OCc5ccccc5)cc4)no3)c(=O)oc21 ZINC000057354720 569431249 /nfs/dbraw/zinc/43/12/49/569431249.db2.gz BEHKFRBULZKTIL-UHFFFAOYSA-N 0 0 426.428 5.098 50 0 IKAARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000029602464 569431546 /nfs/dbraw/zinc/43/15/46/569431546.db2.gz UFWQIULNLIIEAK-UHFFFAOYSA-N 0 0 440.478 5.387 50 0 IKAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@@H](C)c1nc(-c2ccco2)no1 ZINC000029737739 569431846 /nfs/dbraw/zinc/43/18/46/569431846.db2.gz JQPDVFFERJFNPU-LBPRGKRZSA-N 0 0 430.917 5.202 50 0 IKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(Br)c1 ZINC000002951269 569431973 /nfs/dbraw/zinc/43/19/73/569431973.db2.gz GLWUESKQGBIWCL-PYCFMQQDSA-N 0 0 426.295 5.137 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C)ccc1NC(=O)c1ccccc1 ZINC000002950394 569432023 /nfs/dbraw/zinc/43/20/23/569432023.db2.gz AUHDKJXDDJLTIH-UHFFFAOYSA-N 0 0 445.906 6.116 50 0 IKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(Br)cc1 ZINC000002951272 569432066 /nfs/dbraw/zinc/43/20/66/569432066.db2.gz KOJRAOGGIFACMW-PYCFMQQDSA-N 0 0 426.295 5.137 50 0 IKAARN O=c1nc(CN(Cc2ccc(F)cc2)C2CC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000057364706 569432106 /nfs/dbraw/zinc/43/21/06/569432106.db2.gz PHLJEKSHHGCEDI-UHFFFAOYSA-N 0 0 439.943 5.609 50 0 IKAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)cc3)oc21 ZINC000002951440 569432140 /nfs/dbraw/zinc/43/21/40/569432140.db2.gz BVCCGMWSQSMAPI-GFMRDNFCSA-N 0 0 425.897 5.426 50 0 IKAARN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc2c1 ZINC000002951604 569432161 /nfs/dbraw/zinc/43/21/61/569432161.db2.gz QHPBXZHVPHGJEE-UHFFFAOYSA-N 0 0 428.488 5.684 50 0 biogenic IKAARN Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)sc2Nc2ccccc2C)c1 ZINC000002962354 569432814 /nfs/dbraw/zinc/43/28/14/569432814.db2.gz RZQOEKUUDOQXND-UHFFFAOYSA-N 0 0 441.556 6.174 50 0 IKAARN O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N12 ZINC000002964396 569432863 /nfs/dbraw/zinc/43/28/63/569432863.db2.gz CNSLEEAUSDPCBB-NRFANRHFSA-N 0 0 431.948 5.475 50 0 IKAARN COc1cccc2cc(-c3nc(-c4ccc(C)cc4)cs3)/c(=N/c3ccc(C)cc3)oc21 ZINC000002963956 569432936 /nfs/dbraw/zinc/43/29/36/569432936.db2.gz UFXFZPOQHRVLLK-SGEDCAFJSA-N 0 0 438.552 7.081 50 0 IKAARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000002965379 569432939 /nfs/dbraw/zinc/43/29/39/569432939.db2.gz TYEXQZZQGAFPEM-GOSISDBHSA-N 0 0 446.359 5.224 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)c1 ZINC000002969588 569433220 /nfs/dbraw/zinc/43/32/20/569433220.db2.gz ZIPFOOVIUKWPLC-UHFFFAOYSA-N 0 0 436.462 6.256 50 0 IKAARN COC(=O)c1ccc2c(c1)nc(SCc1ccccc1C)n(CCC1=CCCCC1)c2=O ZINC000002969820 569433245 /nfs/dbraw/zinc/43/32/45/569433245.db2.gz HTYCFGDMYASXNE-UHFFFAOYSA-N 0 0 448.588 5.674 50 0 IKAARN COc1ccc(CCn2c(=O)c3ccccc3nc2SCc2ccccc2C)cc1OC ZINC000002970079 569433299 /nfs/dbraw/zinc/43/32/99/569433299.db2.gz WCZXUYBXUFQPBM-UHFFFAOYSA-N 0 0 446.572 5.257 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)c1ccc(Cl)cc1 ZINC000002969960 569433316 /nfs/dbraw/zinc/43/33/16/569433316.db2.gz ZDEZOCXYKIBCSX-UHFFFAOYSA-N 0 0 438.980 5.915 50 0 IKAARN Cc1ccccc1-n1ncc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C1CC1 ZINC000029783806 569433360 /nfs/dbraw/zinc/43/33/60/569433360.db2.gz VRRHVJBIWHZRFR-UHFFFAOYSA-N 0 0 442.544 5.624 50 0 IKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)cc1 ZINC000002971448 569433386 /nfs/dbraw/zinc/43/33/86/569433386.db2.gz ONQHUHSLIYNFMS-UHFFFAOYSA-N 0 0 443.572 5.370 50 0 IKAARN CC[C@@H](Cc1ccccc1)n1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O ZINC000002971891 569433481 /nfs/dbraw/zinc/43/34/81/569433481.db2.gz NOJNTYPUZSIYCJ-NRFANRHFSA-N 0 0 428.557 5.565 50 0 IKAARN COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974809 569433515 /nfs/dbraw/zinc/43/35/15/569433515.db2.gz BXZBKXGDMSWAKS-OAHLLOKOSA-N 0 0 426.442 5.553 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(C)C2CCCCC2)cc1Cl ZINC000002975041 569433542 /nfs/dbraw/zinc/43/35/42/569433542.db2.gz LIRXWWMWHDEAJN-UHFFFAOYSA-N 0 0 430.983 6.818 50 0 IKAARN C[C@@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974920 569433561 /nfs/dbraw/zinc/43/35/61/569433561.db2.gz GGYIHUAHJDCRLH-WIYYLYMNSA-N 0 0 445.010 7.368 50 0 IKAARN O=c1c2cc3c(cc2nc(SCc2cccc(F)c2)n1CCC1=CCCCC1)OCO3 ZINC000002974327 569433583 /nfs/dbraw/zinc/43/35/83/569433583.db2.gz RGQIVEXEAOTJNT-UHFFFAOYSA-N 0 0 438.524 5.447 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)/C=C/c1ccco1)CC2 ZINC000002980191 569433734 /nfs/dbraw/zinc/43/37/34/569433734.db2.gz RFAJCNHDTHJMLT-UROCCOEBSA-N 0 0 447.531 5.132 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3cc(Br)ccc3OCc3ccccc3)C(=O)O2)cc1 ZINC000002984434 569434334 /nfs/dbraw/zinc/43/43/34/569434334.db2.gz BYRYSLFZACQCIW-KGENOOAVSA-N 0 0 448.316 5.681 50 0 IKAARN Cc1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2oc(=O)c1Cc1ccccc1 ZINC000002989717 569434335 /nfs/dbraw/zinc/43/43/35/569434335.db2.gz HWNRYWHZMFEHMT-UHFFFAOYSA-N 0 0 440.904 5.113 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c(C)c1 ZINC000057426018 569434462 /nfs/dbraw/zinc/43/44/62/569434462.db2.gz LXUZNFLWTAOABE-UHFFFAOYSA-N 0 0 429.611 5.160 50 0 IKAARN CC(C)CCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O ZINC000057426066 569434515 /nfs/dbraw/zinc/43/45/15/569434515.db2.gz YATDIOGCRZKKKM-UHFFFAOYSA-N 0 0 429.611 5.358 50 0 IKAARN Cc1cccc(Cl)c1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000057426069 569434519 /nfs/dbraw/zinc/43/45/19/569434519.db2.gz CYHAJCOGBVNXHZ-UHFFFAOYSA-N 0 0 436.002 5.197 50 0 IKAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000057426363 569434564 /nfs/dbraw/zinc/43/45/64/569434564.db2.gz LVAORFJKPJVAKH-UHFFFAOYSA-N 0 0 441.500 5.008 50 0 IKAARN c1ccc(COc2ccc(-c3noc(CN4CCC(Cc5ccccc5)CC4)n3)cc2)cc1 ZINC000057427747 569434763 /nfs/dbraw/zinc/43/47/63/569434763.db2.gz KDFDQKLPZHHLNO-UHFFFAOYSA-N 0 0 439.559 5.770 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 ZINC000057428534 569434955 /nfs/dbraw/zinc/43/49/55/569434955.db2.gz GMTKOFZKTSCVIK-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)N2CCCC2)C1 ZINC000002991110 569435024 /nfs/dbraw/zinc/43/50/24/569435024.db2.gz JLYZXDYYHMPRKC-INIZCTEOSA-N 0 0 445.028 6.041 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccccc1Cl ZINC000003005676 569435172 /nfs/dbraw/zinc/43/51/72/569435172.db2.gz WDFJNWFCMMGFSO-DEDYPNTBSA-N 0 0 447.874 5.221 50 0 IKAARN CCN(CCNC(=O)c1ccc(CSCc2ccccc2Cl)o1)c1ccccc1 ZINC000003006166 569435185 /nfs/dbraw/zinc/43/51/85/569435185.db2.gz CIRWTTOIBZDCQS-UHFFFAOYSA-N 0 0 428.985 5.623 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)CC(C)C)CC2 ZINC000003006734 569435190 /nfs/dbraw/zinc/43/51/90/569435190.db2.gz DURYVLLQMIKOTG-QHCPKHFHSA-N 0 0 425.569 5.378 50 0 IKAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(CC)CC)cc1 ZINC000003006774 569435200 /nfs/dbraw/zinc/43/52/00/569435200.db2.gz VQOZQTHUKDVKPC-HSZRJFAPSA-N 0 0 425.569 5.207 50 0 IKAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)C1CCCCC1)CC2 ZINC000003006703 569435229 /nfs/dbraw/zinc/43/52/29/569435229.db2.gz YCGAMHBSWHNFQS-DEOSSOPVSA-N 0 0 437.580 5.406 50 0 IKAARN CSc1cccc(Sc2cc(C(=O)NCc3ccc(C)cc3)c3ccccc3n2)c1 ZINC000003007825 569435241 /nfs/dbraw/zinc/43/52/41/569435241.db2.gz QNFZIIHEARRWRE-UHFFFAOYSA-N 0 0 430.598 6.346 50 0 IKAARN COc1cccc(CNC(=O)c2cc(Sc3ccc(C(C)C)cc3)nc3ccccc32)c1 ZINC000003008019 569435289 /nfs/dbraw/zinc/43/52/89/569435289.db2.gz ONXVGRJMWQQGHA-UHFFFAOYSA-N 0 0 442.584 6.448 50 0 IKAARN C[C@@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000057452444 569435333 /nfs/dbraw/zinc/43/53/33/569435333.db2.gz UALUEOHVMCIOCF-BFUOFWGJSA-N 0 0 433.346 5.356 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC(C)(C)CC(C)(C)C)cc3N2)cc1 ZINC000003011854 569435381 /nfs/dbraw/zinc/43/53/81/569435381.db2.gz ILFZSDGQNVHWQB-WMZOPIPTSA-N 0 0 436.522 5.796 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4Cl)cc3N2)cc1 ZINC000003011752 569435406 /nfs/dbraw/zinc/43/54/06/569435406.db2.gz CFJPUGJKEPOUEP-PKOBYXMFSA-N 0 0 448.876 5.435 50 0 IKAARN O=C(N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000003014981 569435486 /nfs/dbraw/zinc/43/54/86/569435486.db2.gz TYGWUGOEQOCXAU-AWEZNQCLSA-N 0 0 436.147 5.700 50 0 IKAARN COc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000003017344 569435537 /nfs/dbraw/zinc/43/55/37/569435537.db2.gz KMJKEVQWOVDDLU-AUWJEWJLSA-N 0 0 427.081 5.109 50 0 IKAARN CCOC(=O)c1ccc2c(c1)N(Cc1ccc(SC)cc1)C(=O)c1ccccc1S2 ZINC000003018314 569435542 /nfs/dbraw/zinc/43/55/42/569435542.db2.gz PQZKRVIEVYOUCM-UHFFFAOYSA-N 0 0 435.570 5.897 50 0 IKAARN CC(=O)c1ccc(N2CCN(c3cc(C)nc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 ZINC000057477788 569435802 /nfs/dbraw/zinc/43/58/02/569435802.db2.gz HSOVJUMPVJMGLR-UHFFFAOYSA-N 0 0 440.469 5.000 50 0 IKAARN CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000003022565 569435985 /nfs/dbraw/zinc/43/59/85/569435985.db2.gz VJTKMFVABRBDTN-UHFFFAOYSA-N 0 0 440.540 5.022 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)c3cccc(C)c3)c2)cc1 ZINC000003022181 569436014 /nfs/dbraw/zinc/43/60/14/569436014.db2.gz QZSLTWWWKSCSJS-UHFFFAOYSA-N 0 0 440.540 5.164 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000003024754 569436201 /nfs/dbraw/zinc/43/62/01/569436201.db2.gz DCSHDKRCPWATNE-UHFFFAOYSA-N 0 0 440.540 5.417 50 0 IKAARN Cc1nnc(Sc2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)s1 ZINC000003027208 569436320 /nfs/dbraw/zinc/43/63/20/569436320.db2.gz ISWLYWXSKMGZJE-UHFFFAOYSA-N 0 0 426.954 5.129 50 0 IKAARN Cc1nnc(Sc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)s1 ZINC000003027199 569436333 /nfs/dbraw/zinc/43/63/33/569436333.db2.gz UUZYABJRDONKAX-UHFFFAOYSA-N 0 0 440.981 5.172 50 0 IKAARN O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccc2c(c1)OCO2 ZINC000057486334 569436446 /nfs/dbraw/zinc/43/64/46/569436446.db2.gz OTBVWVXAXSMSCB-UHFFFAOYSA-N 0 0 432.545 5.895 50 0 IKAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1Cl ZINC000057486720 569436558 /nfs/dbraw/zinc/43/65/58/569436558.db2.gz YJKLWEXOMHQLHH-UHFFFAOYSA-N 0 0 431.254 5.290 50 0 IKAARN CN(C)c1sc(C(=O)c2ccc(Cl)cc2)cc1-c1ccc(Oc2ccccc2)cc1 ZINC000003029377 569436677 /nfs/dbraw/zinc/43/66/77/569436677.db2.gz WSBCURQIXRKFKF-UHFFFAOYSA-N 0 0 433.960 7.158 50 0 IKAARN Cc1cccc(Cl)c1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000057487364 569436700 /nfs/dbraw/zinc/43/67/00/569436700.db2.gz IIJUQQANRYMAJK-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN CCOc1ccc(NC(=S)N(Cc2cn(CC)c3ccccc23)Cc2ccccc2)cc1 ZINC000003029311 569436712 /nfs/dbraw/zinc/43/67/12/569436712.db2.gz HWENWDHLJLLBKZ-UHFFFAOYSA-N 0 0 443.616 6.459 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2ccc(C)c(Cl)c2)c2ccccc21 ZINC000003029320 569436718 /nfs/dbraw/zinc/43/67/18/569436718.db2.gz IRFMDGBPGJYRIZ-UHFFFAOYSA-N 0 0 448.035 7.022 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nc3ccsc3c2=O)c1 ZINC000057487480 569436720 /nfs/dbraw/zinc/43/67/20/569436720.db2.gz FFVOCXZZTDRMIM-UHFFFAOYSA-N 0 0 449.601 5.610 50 0 IKAARN CCOc1ccc2c(c1)[C@@H](SCC(=O)NCc1ccc(F)cc1)CC1(CCCC1)O2 ZINC000003029957 569436805 /nfs/dbraw/zinc/43/68/05/569436805.db2.gz IQHHSPXICGMITJ-QFIPXVFZSA-N 0 0 429.557 5.410 50 0 biogenic IKAARN CCOc1ccc2c(c1)[C@@H](SCC(=O)NCc1ccc(Cl)cc1)CC1(CCCC1)O2 ZINC000003029935 569436815 /nfs/dbraw/zinc/43/68/15/569436815.db2.gz UQKFWIHSHQBBAT-QFIPXVFZSA-N 0 0 446.012 5.925 50 0 biogenic IKAARN CCOc1ccc2c(c1)[C@@H](SCC(=O)NCc1ccc(C)cc1)CC1(CCCC1)O2 ZINC000003030015 569436844 /nfs/dbraw/zinc/43/68/44/569436844.db2.gz GVMMOFPRCIZMRO-QHCPKHFHSA-N 0 0 425.594 5.580 50 0 biogenic IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1 ZINC000057487685 569436854 /nfs/dbraw/zinc/43/68/54/569436854.db2.gz HTYHRHDTFSRSTE-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)cc1 ZINC000057488177 569436909 /nfs/dbraw/zinc/43/69/09/569436909.db2.gz NLYJRKALDYSYOZ-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1 ZINC000057488263 569436947 /nfs/dbraw/zinc/43/69/47/569436947.db2.gz PRBCUWICKAFYLT-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c(C)c1 ZINC000057488584 569436964 /nfs/dbraw/zinc/43/69/64/569436964.db2.gz SFOHBUXVXNKEFZ-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccsc3c2=O)c(C)c1 ZINC000057488619 569437015 /nfs/dbraw/zinc/43/70/15/569437015.db2.gz AIUWXROYKAJACT-UHFFFAOYSA-N 0 0 449.601 5.412 50 0 IKAARN CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c1 ZINC000057488603 569437018 /nfs/dbraw/zinc/43/70/18/569437018.db2.gz NUBXJXPSLDTGBD-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000003031898 569437751 /nfs/dbraw/zinc/43/77/51/569437751.db2.gz FJGVQNVABPUXSV-UHFFFAOYSA-N 0 0 440.540 5.218 50 0 IKAARN O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000003033191 569437838 /nfs/dbraw/zinc/43/78/38/569437838.db2.gz SSOTUXKPLQOWJJ-UHFFFAOYSA-N 0 0 443.497 6.305 50 0 IKAARN O=C(NCCc1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033237 569437850 /nfs/dbraw/zinc/43/78/50/569437850.db2.gz XBGDZHFZZZZWEF-UHFFFAOYSA-N 0 0 429.523 5.936 50 0 biogenic IKAARN Cc1nc2c(C(=O)N[C@@H]3CCCC[C@H]3C)cnn2c(C)c1Cc1ccc(F)cc1Cl ZINC000003033450 569437869 /nfs/dbraw/zinc/43/78/69/569437869.db2.gz UOMOFUBVNHICLT-LRTDBIEQSA-N 0 0 428.939 5.038 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n2)cc1 ZINC000003033893 569437885 /nfs/dbraw/zinc/43/78/85/569437885.db2.gz URCJAXBFIFXXFT-UHFFFAOYSA-N 0 0 440.572 5.862 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000003035092 569437939 /nfs/dbraw/zinc/43/79/39/569437939.db2.gz JOMLUWJOOAKDBJ-UHFFFAOYSA-N 0 0 444.844 5.041 50 0 IKAARN CCCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000003035350 569437949 /nfs/dbraw/zinc/43/79/49/569437949.db2.gz PAKLSSRCWDKFMY-UHFFFAOYSA-N 0 0 441.531 5.511 50 0 biogenic IKAARN Cc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccccc2Cl)cc1 ZINC000003038462 569437975 /nfs/dbraw/zinc/43/79/75/569437975.db2.gz IHPFIZWLWSCNTD-KRFYGZOHSA-N 0 0 438.999 5.182 50 0 IKAARN Cc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000003038524 569437986 /nfs/dbraw/zinc/43/79/86/569437986.db2.gz MAZQKDXVXYWFEH-XSIDSBFUSA-N 0 0 438.999 5.182 50 0 IKAARN CCOP(=O)(CN(CCc1ccccc1)C(=S)Nc1ccc(C)c(C)c1)OCC ZINC000003039281 569438029 /nfs/dbraw/zinc/43/80/29/569438029.db2.gz VELNKHJJFNPXDC-UHFFFAOYSA-N 0 0 434.542 5.769 50 0 IKAARN Cc1nc2nc(SCc3cccc(F)c3)nn2c(C)c1Cc1ccc(F)cc1Cl ZINC000003038599 569438034 /nfs/dbraw/zinc/43/80/34/569438034.db2.gz SSOCMEKLMALACW-UHFFFAOYSA-N 0 0 430.911 5.556 50 0 IKAARN O=C(c1cc(Sc2cccc(Cl)c2)nc2ccccc21)N1CCC2(CC1)OCCO2 ZINC000003039964 569438062 /nfs/dbraw/zinc/43/80/62/569438062.db2.gz VXDVSJUTECZXMU-UHFFFAOYSA-N 0 0 440.952 5.019 50 0 IKAARN COCCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000003040149 569438103 /nfs/dbraw/zinc/43/81/03/569438103.db2.gz PDMQPSZAMHTBMQ-UHFFFAOYSA-N 0 0 446.572 5.073 50 0 IKAARN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000003040549 569438400 /nfs/dbraw/zinc/43/84/00/569438400.db2.gz HNSLMLNRVXLAES-UHFFFAOYSA-N 0 0 440.543 5.454 50 0 biogenic IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000003041264 569438413 /nfs/dbraw/zinc/43/84/13/569438413.db2.gz DYXSQTOZHNRXPT-UHFFFAOYSA-N 0 0 440.343 5.187 50 0 IKAARN O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000003041618 569438481 /nfs/dbraw/zinc/43/84/81/569438481.db2.gz GYWVJWYEFLGAPU-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN Cc1nc2c(C(=O)N[C@@H]3CCCc4ccccc43)cnn2c(C)c1Cc1ccccc1Cl ZINC000003045075 569438633 /nfs/dbraw/zinc/43/86/33/569438633.db2.gz AWAZHDIYPHCKPH-XMMPIXPASA-N 0 0 444.966 5.398 50 0 IKAARN Cc1nc2c(C(=O)N[C@@H]3CCCc4ccccc43)cnn2c(C)c1Cc1ccc(Cl)cc1 ZINC000003045268 569438655 /nfs/dbraw/zinc/43/86/55/569438655.db2.gz AEOAZBVVMXMAGG-XMMPIXPASA-N 0 0 444.966 5.398 50 0 IKAARN O=C(Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1)Nc1ccc(F)cc1F ZINC000003047512 569438687 /nfs/dbraw/zinc/43/86/87/569438687.db2.gz KZPXTZFULBCGNI-UHFFFAOYSA-N 0 0 440.902 6.590 50 0 IKAARN COc1ccc(NC(=O)Cc2sc(-c3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000003047521 569438705 /nfs/dbraw/zinc/43/87/05/569438705.db2.gz VNQKOZUWBAUYHI-UHFFFAOYSA-N 0 0 434.948 6.320 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1sccc1SCc1ccc(Cl)c(Cl)c1 ZINC000003047266 569438707 /nfs/dbraw/zinc/43/87/07/569438707.db2.gz QRIASCVCUXVPEB-UHFFFAOYSA-N 0 0 430.328 6.878 50 0 IKAARN CCN(CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21)c1ccccc1 ZINC000003046150 569438709 /nfs/dbraw/zinc/43/87/09/569438709.db2.gz VPURPUDASSVYCN-UHFFFAOYSA-N 0 0 437.587 6.165 50 0 IKAARN O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCc1ccccc1Cl ZINC000003047170 569438715 /nfs/dbraw/zinc/43/87/15/569438715.db2.gz ORCHWPQSSPAXIC-HMAPJEAMSA-N 0 0 434.948 5.136 50 0 IKAARN Cn1nc(-c2ccccc2)c(COC(=O)c2cccc(Cl)c2)c1Sc1ccccc1 ZINC000003048586 569438871 /nfs/dbraw/zinc/43/88/71/569438871.db2.gz VKCQSTWAALHKLI-UHFFFAOYSA-N 0 0 434.948 6.249 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1Sc1ccc(F)cc1 ZINC000003048822 569438913 /nfs/dbraw/zinc/43/89/13/569438913.db2.gz USALSENPDKHMAL-KRWDZBQOSA-N 0 0 436.552 5.686 50 0 IKAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1cccc(Cl)c1 ZINC000003049299 569438933 /nfs/dbraw/zinc/43/89/33/569438933.db2.gz GXNJESVADVQDSO-UHFFFAOYSA-N 0 0 439.846 5.539 50 0 IKAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Cl)cc1 ZINC000003049287 569438937 /nfs/dbraw/zinc/43/89/37/569438937.db2.gz RBWPKSSJROFVNU-UHFFFAOYSA-N 0 0 439.846 5.539 50 0 IKAARN CCN(CCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1)c1ccccc1 ZINC000003049194 569438971 /nfs/dbraw/zinc/43/89/71/569438971.db2.gz QHBNDCBVLXBPLG-UHFFFAOYSA-N 0 0 447.604 5.361 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)cc1 ZINC000057522939 569439033 /nfs/dbraw/zinc/43/90/33/569439033.db2.gz XPQNJQNAVCOQBE-UHFFFAOYSA-N 0 0 444.560 5.020 50 0 IKAARN CCCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(C)c1 ZINC000057523088 569439043 /nfs/dbraw/zinc/43/90/43/569439043.db2.gz HFAOREZVSMYYIA-UHFFFAOYSA-N 0 0 446.576 5.231 50 0 IKAARN Cc1ccccc1SCc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003050371 569439143 /nfs/dbraw/zinc/43/91/43/569439143.db2.gz MHBKZMCRRMBMGV-UHFFFAOYSA-N 0 0 426.463 6.005 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O ZINC000003052044 569439307 /nfs/dbraw/zinc/43/93/07/569439307.db2.gz PVJVDAUQHCLIQB-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O ZINC000003052047 569439312 /nfs/dbraw/zinc/43/93/12/569439312.db2.gz FEPOJQRCLIVDRC-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN CC(C)c1ccc(Nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000003055462 569439355 /nfs/dbraw/zinc/43/93/55/569439355.db2.gz IOQRDUVCYYBNDU-NRFANRHFSA-N 0 0 437.587 6.853 50 0 IKAARN Cc1ccc(Nc2cc(C(=O)NCCCSC3CCCCC3)c3ccccc3n2)cc1C ZINC000003056245 569439356 /nfs/dbraw/zinc/43/93/56/569439356.db2.gz PDDLDSXWTOCRSP-UHFFFAOYSA-N 0 0 447.648 6.781 50 0 IKAARN CSc1cccc(Nc2cc(C(=O)NCCc3cccc(C)c3)c3ccccc3n2)c1 ZINC000003054984 569439357 /nfs/dbraw/zinc/43/93/57/569439357.db2.gz MYPXCZMDTZGJKJ-UHFFFAOYSA-N 0 0 427.573 5.981 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1Cl ZINC000003059320 569439401 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O=C(c1cccc(C(F)(F)F)c1)N(c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000003271964 569443562 /nfs/dbraw/zinc/44/35/62/569443562.db2.gz AXVPURREBOOBSD-UHFFFAOYSA-N 0 0 432.854 6.947 50 0 IKAARN CSc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003273840 569443615 /nfs/dbraw/zinc/44/36/15/569443615.db2.gz CPBMIHHBYVYACY-SFHVURJKSA-N 0 0 447.343 5.647 50 0 IKAARN CC(C)c1ccc(Nc2nnc(SCC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000003274319 569443626 /nfs/dbraw/zinc/44/36/26/569443626.db2.gz NRXOCNUEHQXARR-UHFFFAOYSA-N 0 0 433.002 5.467 50 0 IKAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCc1noc(-c2ccc(Cl)cc2)n1 ZINC000057963513 569443640 /nfs/dbraw/zinc/44/36/40/569443640.db2.gz QMOXYBODIJQNBS-UHFFFAOYSA-N 0 0 447.347 5.456 50 0 IKAARN O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003275718 569443714 /nfs/dbraw/zinc/44/37/14/569443714.db2.gz SLPMDBQLZHZQLT-UHFFFAOYSA-N 0 0 441.836 6.931 50 0 IKAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000003277918 569443716 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COC(=O)c1ccc(COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1 ZINC000003286089 569444085 /nfs/dbraw/zinc/44/40/85/569444085.db2.gz FVTLSDAMPOYMMO-UHFFFAOYSA-N 0 0 443.471 5.889 50 0 IKAARN CCc1cccc2c(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3C(C)C)c[nH]c21 ZINC000003285496 569444088 /nfs/dbraw/zinc/44/40/88/569444088.db2.gz BADCGZVATAAXQG-UHFFFAOYSA-N 0 0 434.565 5.553 50 0 IKAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(Cl)cc1 ZINC000003285913 569444093 /nfs/dbraw/zinc/44/40/93/569444093.db2.gz ZGDUYOJZCMHHKX-UHFFFAOYSA-N 0 0 433.027 6.146 50 0 IKAARN CCCc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000003287085 569444128 /nfs/dbraw/zinc/44/41/28/569444128.db2.gz QZZSRXLHZYENMZ-IBGZPJMESA-N 0 0 442.584 5.761 50 0 IKAARN Clc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 ZINC000003286479 569444132 /nfs/dbraw/zinc/44/41/32/569444132.db2.gz ORQGKPAUPJBFRQ-UHFFFAOYSA-N 0 0 436.751 6.780 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003289753 569444258 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Cc1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000003292954 569444503 /nfs/dbraw/zinc/44/45/03/569444503.db2.gz IPHVYMFXHBKDKK-RUZDIDTESA-N 0 0 427.573 5.968 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000003294322 569444516 /nfs/dbraw/zinc/44/45/16/569444516.db2.gz FVJLUJFFIHUSST-UHFFFAOYSA-N 0 0 442.342 6.006 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)c(C)c1 ZINC000003293734 569444541 /nfs/dbraw/zinc/44/45/41/569444541.db2.gz ZBEQFQATHUGMLY-UHFFFAOYSA-N 0 0 436.509 5.231 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000003295074 569444632 /nfs/dbraw/zinc/44/46/32/569444632.db2.gz NMDSMZWIPQMFJJ-UHFFFAOYSA-N 0 0 430.574 5.340 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003295711 569444637 /nfs/dbraw/zinc/44/46/37/569444637.db2.gz VMTWXDQONBWTOV-UHFFFAOYSA-N 0 0 442.584 6.538 50 0 IKAARN Cc1ccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)cc1C ZINC000003295767 569444646 /nfs/dbraw/zinc/44/46/46/569444646.db2.gz 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ZINC000003296383 569444774 /nfs/dbraw/zinc/44/47/74/569444774.db2.gz LKSYSKWPBDOVEK-UHFFFAOYSA-N 0 0 445.535 5.329 50 0 IKAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc(OC(F)F)cc1 ZINC000003297412 569444820 /nfs/dbraw/zinc/44/48/20/569444820.db2.gz VTPWDJTYGXLUAG-JOCHJYFZSA-N 0 0 430.378 5.392 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000003297595 569444886 /nfs/dbraw/zinc/44/48/86/569444886.db2.gz MCTAYJPRIMHJFN-HSZRJFAPSA-N 0 0 447.987 7.186 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003297742 569444888 /nfs/dbraw/zinc/44/48/88/569444888.db2.gz FRZDZUWAXAEYKU-UHFFFAOYSA-N 0 0 443.937 5.865 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N[C@@H]1CCCc2ccccc21 ZINC000003298736 569444923 /nfs/dbraw/zinc/44/49/23/569444923.db2.gz WQNNOLALSMVAKG-HSZRJFAPSA-N 0 0 440.568 6.295 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N[C@H]1CCCc2ccccc21 ZINC000003298734 569444935 /nfs/dbraw/zinc/44/49/35/569444935.db2.gz WQNNOLALSMVAKG-QHCPKHFHSA-N 0 0 440.568 6.295 50 0 IKAARN COc1ccccc1-c1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000003300390 569445033 /nfs/dbraw/zinc/44/50/33/569445033.db2.gz CBADPDHWGHBNFI-UHFFFAOYSA-N 0 0 441.478 6.254 50 0 IKAARN O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003300358 569445049 /nfs/dbraw/zinc/44/50/49/569445049.db2.gz MWWNBRBEVOVOGM-UHFFFAOYSA-N 0 0 439.739 5.102 50 0 IKAARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N(C1CCCCC1)C1CCCCC1 ZINC000003302466 569445083 /nfs/dbraw/zinc/44/50/83/569445083.db2.gz DGZWFRKETZEVRJ-UHFFFAOYSA-N 0 0 436.383 5.809 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccccc3)n2C)c2ccccc2)c1 ZINC000003301614 569445099 /nfs/dbraw/zinc/44/50/99/569445099.db2.gz NSCJKVKBCIMVLO-QFIPXVFZSA-N 0 0 428.561 5.571 50 0 IKAARN O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003304287 569445204 /nfs/dbraw/zinc/44/52/04/569445204.db2.gz SJDTZQIFNKZSOR-UHFFFAOYSA-N 0 0 426.605 5.461 50 0 IKAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)Nc1ccc2ccccc2c1 ZINC000003304389 569445208 /nfs/dbraw/zinc/44/52/08/569445208.db2.gz PUYUCCWFEIGSSF-UHFFFAOYSA-N 0 0 449.428 6.321 50 0 IKAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)c3c[nH]c4ccccc43)sc2c1Cl ZINC000003307403 569445275 /nfs/dbraw/zinc/44/52/75/569445275.db2.gz WWTVKKUVDJKNIY-UHFFFAOYSA-N 0 0 434.300 5.738 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1)NCC1CCCCC1 ZINC000003307735 569445277 /nfs/dbraw/zinc/44/52/77/569445277.db2.gz DASZVIJAMSBNCR-UHFFFAOYSA-N 0 0 445.592 5.204 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(C)c1 ZINC000003311189 569445500 /nfs/dbraw/zinc/44/55/00/569445500.db2.gz PTALRDDFWXWHGM-UHFFFAOYSA-N 0 0 427.957 5.437 50 0 IKAARN C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003311247 569445508 /nfs/dbraw/zinc/44/55/08/569445508.db2.gz JUXQELMCTJKTDU-LBPRGKRZSA-N 0 0 447.274 5.023 50 0 IKAARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccc(Cl)s3)c2C1 ZINC000003312143 569445544 /nfs/dbraw/zinc/44/55/44/569445544.db2.gz FHWQRCQBMUWQPQ-AWEZNQCLSA-N 0 0 441.980 6.140 50 0 IKAARN O=C(COc1ccc(NC(=O)c2cccs2)cc1)Nc1ccc(SC(F)F)cc1 ZINC000003313445 569445606 /nfs/dbraw/zinc/44/56/06/569445606.db2.gz ZUBQKYHIYRLOLP-UHFFFAOYSA-N 0 0 434.489 5.333 50 0 IKAARN Cc1ccccc1-n1nnnc1S[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003314978 569445627 /nfs/dbraw/zinc/44/56/27/569445627.db2.gz UMZLTGHOTFZNRB-QHCPKHFHSA-N 0 0 425.517 5.168 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1Cl ZINC000003314265 569445669 /nfs/dbraw/zinc/44/56/69/569445669.db2.gz VIQZTBREXXRBKX-UHFFFAOYSA-N 0 0 428.315 5.688 50 0 IKAARN O=C(Cc1ccc(Br)cc1)O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003316108 569445701 /nfs/dbraw/zinc/44/57/01/569445701.db2.gz SKMCYNACRCSDTM-DEOSSOPVSA-N 0 0 448.316 5.640 50 0 IKAARN O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003315635 569445715 /nfs/dbraw/zinc/44/57/15/569445715.db2.gz SOKOZOZXFCIPPS-UHFFFAOYSA-N 0 0 426.274 6.705 50 0 IKAARN O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003316454 569445737 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COc1ccc(Nc2nnc(SCc3csc(Nc4ccc(C)cc4)n3)s2)cc1 ZINC000003317859 569445828 /nfs/dbraw/zinc/44/58/28/569445828.db2.gz HGPJOVHGVKOESV-UHFFFAOYSA-N 0 0 441.607 6.091 50 0 IKAARN Cc1ccc(OCCSc2nnc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n2)cc1 ZINC000003319590 569445853 /nfs/dbraw/zinc/44/58/53/569445853.db2.gz BDDYEDFNDGYGEE-UHFFFAOYSA-N 0 0 427.573 6.302 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000003319196 569445858 /nfs/dbraw/zinc/44/58/58/569445858.db2.gz UJXQHCZIPSWPOG-DEOSSOPVSA-N 0 0 431.532 5.838 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2[C@@H](C)N2CCCCC2)cc1 ZINC000003318540 569445859 /nfs/dbraw/zinc/44/58/59/569445859.db2.gz WRIMJNDLTKBZJR-QGZVFWFLSA-N 0 0 443.016 5.769 50 0 IKAARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003320227 569445916 /nfs/dbraw/zinc/44/59/16/569445916.db2.gz KOWKIXLERCNEGC-JTQLQIEISA-N 0 0 442.418 6.089 50 0 IKAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003320049 569445924 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C[C@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)N1CCc2ccccc2C1 ZINC000003325293 569446196 /nfs/dbraw/zinc/44/61/96/569446196.db2.gz SBLNOVJRPAWCTB-INIZCTEOSA-N 0 0 431.586 5.424 50 0 IKAARN CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000003326177 569446210 /nfs/dbraw/zinc/44/62/10/569446210.db2.gz SBGLAHYPHXHBCU-CYBMUJFWSA-N 0 0 446.391 5.522 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000003325426 569446218 /nfs/dbraw/zinc/44/62/18/569446218.db2.gz GVRZMGGEOVCFQH-UHFFFAOYSA-N 0 0 442.540 5.742 50 0 IKAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)OCc3csc(-c4ccccc4)n3)cc12 ZINC000003327487 569446239 /nfs/dbraw/zinc/44/62/39/569446239.db2.gz ZOMGOTHSKFNVJA-UHFFFAOYSA-N 0 0 445.569 5.935 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1C ZINC000003327573 569446240 /nfs/dbraw/zinc/44/62/40/569446240.db2.gz TYXSURYNMJQQGR-UHFFFAOYSA-N 0 0 435.039 6.384 50 0 IKAARN CC(C)c1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000003327668 569446270 /nfs/dbraw/zinc/44/62/70/569446270.db2.gz MXPZAVNIWCMIOF-QFIPXVFZSA-N 0 0 430.529 5.924 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1c2ccccc2nc2c1CCCCC2 ZINC000003328320 569446316 /nfs/dbraw/zinc/44/63/16/569446316.db2.gz QGANXHFADFIODK-UHFFFAOYSA-N 0 0 434.583 6.456 50 0 IKAARN C[C@@H]1CCc2c(sc3ncnc(NC[C@@H](c4c[nH]c5ccccc54)c4ccccc4)c32)C1 ZINC000003329924 569446346 /nfs/dbraw/zinc/44/63/46/569446346.db2.gz LHVTXOSEZWWMDZ-DYESRHJHSA-N 0 0 438.600 6.541 50 0 IKAARN C[C@H](OC(=O)COc1cccc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003329351 569446348 /nfs/dbraw/zinc/44/63/48/569446348.db2.gz HPUHSVUKEMRUDV-IBGZPJMESA-N 0 0 441.483 5.581 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)sc2c1 ZINC000003330384 569446420 /nfs/dbraw/zinc/44/64/20/569446420.db2.gz WMJUZBKDQVNKAI-UHFFFAOYSA-N 0 0 428.366 5.436 50 0 IKAARN COc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000003330393 569446422 /nfs/dbraw/zinc/44/64/22/569446422.db2.gz QUUPRFNMXMMTTQ-UHFFFAOYSA-N 0 0 431.561 5.731 50 0 IKAARN O=C(COC(=O)CSCc1cccc(Cl)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000003331184 569446483 /nfs/dbraw/zinc/44/64/83/569446483.db2.gz QGJGBGCFSFEXLX-UHFFFAOYSA-N 0 0 441.936 5.547 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Sc1nncs1)c1ccccc1 ZINC000003332874 569446570 /nfs/dbraw/zinc/44/65/70/569446570.db2.gz KHBXJUSOZWVDSY-CQSZACIVSA-N 0 0 429.876 5.682 50 0 IKAARN Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1 ZINC000003334102 569446613 /nfs/dbraw/zinc/44/66/13/569446613.db2.gz PQSQOTCGCLTHQN-UHFFFAOYSA-N 0 0 436.383 7.189 50 0 IKAARN COc1ccc(-n2c(SCCOc3ccccc3F)nnc2-c2cccc(C)c2)cc1 ZINC000003336338 569446631 /nfs/dbraw/zinc/44/66/31/569446631.db2.gz VKWVYZDDVZCFDX-UHFFFAOYSA-N 0 0 435.524 5.562 50 0 IKAARN COc1ccc(C(C)=O)cc1COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003338063 569446726 /nfs/dbraw/zinc/44/67/26/569446726.db2.gz ITUOQMFXEIDFST-UHFFFAOYSA-N 0 0 433.529 5.634 50 0 IKAARN Fc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000003338515 569446767 /nfs/dbraw/zinc/44/67/67/569446767.db2.gz MHRHORZZTFGMGH-UHFFFAOYSA-N 0 0 425.916 5.898 50 0 IKAARN COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003340108 569446801 /nfs/dbraw/zinc/44/68/01/569446801.db2.gz QSKKIDMQEHKGQY-HNNXBMFYSA-N 0 0 432.501 5.156 50 0 IKAARN O=C(CCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1cccs1 ZINC000003339992 569446803 /nfs/dbraw/zinc/44/68/03/569446803.db2.gz XDHCJOORTRAMFE-UHFFFAOYSA-N 0 0 435.932 6.437 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000003342139 569446953 /nfs/dbraw/zinc/44/69/53/569446953.db2.gz UBUMRAGYBWZUFO-UHFFFAOYSA-N 0 0 448.617 6.124 50 0 IKAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000003342069 569446957 /nfs/dbraw/zinc/44/69/57/569446957.db2.gz UPIBIINEZFPBCM-UHFFFAOYSA-N 0 0 435.527 5.334 50 0 IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1ccccc1Cl)C3 ZINC000058088618 569446994 /nfs/dbraw/zinc/44/69/94/569446994.db2.gz OWSNMXXUEKLHCN-UHFFFAOYSA-N 0 0 445.946 6.006 50 0 biogenic IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003343267 569447019 /nfs/dbraw/zinc/44/70/19/569447019.db2.gz CDEPNLZJJPWJRW-UHFFFAOYSA-N 0 0 430.507 6.857 50 0 IKAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2S[C@@H]2CCOC2=O)c(C)c1 ZINC000003346815 569447160 /nfs/dbraw/zinc/44/71/60/569447160.db2.gz FWGJICKVFRHHHA-JOCHJYFZSA-N 0 0 429.545 5.036 50 0 IKAARN Fc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 ZINC000003346579 569447171 /nfs/dbraw/zinc/44/71/71/569447171.db2.gz NXJXDOVZADRXTG-UHFFFAOYSA-N 0 0 430.430 5.780 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003346778 569447183 /nfs/dbraw/zinc/44/71/83/569447183.db2.gz WAALIUQVBJRECP-FQEVSTJZSA-N 0 0 448.828 5.879 50 0 IKAARN O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003348071 569447204 /nfs/dbraw/zinc/44/72/04/569447204.db2.gz CRFNZLNBQQWNII-UHFFFAOYSA-N 0 0 425.699 5.243 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000003347475 569447215 /nfs/dbraw/zinc/44/72/15/569447215.db2.gz ATDBROUSMRIDKO-UHFFFAOYSA-N 0 0 438.911 5.397 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000003348469 569447277 /nfs/dbraw/zinc/44/72/77/569447277.db2.gz RMBSUEHFICMZGT-UHFFFAOYSA-N 0 0 436.487 5.252 50 0 IKAARN COc1ccc(C)cc1-n1c(SCC(=O)c2cc(C)ccc2C)nc2ccccc2c1=O ZINC000003350291 569447296 /nfs/dbraw/zinc/44/72/96/569447296.db2.gz GHDPFVHXKDZWQU-UHFFFAOYSA-N 0 0 444.556 5.295 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1Cl ZINC000003351008 569447388 /nfs/dbraw/zinc/44/73/88/569447388.db2.gz MTKBBVUXSBDAMV-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN CCn1c2ccccc2c(C(=O)COC(=O)c2ccc3c(c2)OCO3)c1-c1ccccc1 ZINC000003351925 569447399 /nfs/dbraw/zinc/44/73/99/569447399.db2.gz QOTNJUGXWGFSEK-UHFFFAOYSA-N 0 0 427.456 5.097 50 0 IKAARN COc1ccc(-c2nnc(SCCOc3ccc(Br)cc3)n2C(C)C)cc1 ZINC000003351977 569447440 /nfs/dbraw/zinc/44/74/40/569447440.db2.gz CNWYCFKXMYNBKM-UHFFFAOYSA-N 0 0 448.386 5.468 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003352050 569447446 /nfs/dbraw/zinc/44/74/46/569447446.db2.gz XQOBXFNGIGSIKL-GOSISDBHSA-N 0 0 446.551 5.276 50 0 IKAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000003353116 569447454 /nfs/dbraw/zinc/44/74/54/569447454.db2.gz OALKLIMTDYHLQV-UHFFFAOYSA-N 0 0 427.331 5.413 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2Cl)cc1 ZINC000003352865 569447475 /nfs/dbraw/zinc/44/74/75/569447475.db2.gz FKAJDLWVXFDLQX-UHFFFAOYSA-N 0 0 435.936 5.571 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000003352574 569447494 /nfs/dbraw/zinc/44/74/94/569447494.db2.gz PKVGVHHQIDFAQQ-UHFFFAOYSA-N 0 0 430.891 6.320 50 0 IKAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000003353135 569447500 /nfs/dbraw/zinc/44/75/00/569447500.db2.gz QUQFTCZBSPEFCH-UHFFFAOYSA-N 0 0 443.286 5.156 50 0 IKAARN COC(=O)[C@H](OC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1 ZINC000003353958 569447502 /nfs/dbraw/zinc/44/75/02/569447502.db2.gz JDWGIOXYHBZJQG-LJQANCHMSA-N 0 0 440.908 5.120 50 0 IKAARN C[C@H]1CCc2c(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)csc2C1 ZINC000003354654 569447573 /nfs/dbraw/zinc/44/75/73/569447573.db2.gz SRUANSKLEYUNRI-IBGZPJMESA-N 0 0 433.573 5.259 50 0 IKAARN C[C@@H]1CCc2c(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)csc2C1 ZINC000003354657 569447594 /nfs/dbraw/zinc/44/75/94/569447594.db2.gz SRUANSKLEYUNRI-LJQANCHMSA-N 0 0 433.573 5.259 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003356034 569447659 /nfs/dbraw/zinc/44/76/59/569447659.db2.gz SSYMVOCJMKOWQB-QGZVFWFLSA-N 0 0 432.524 5.217 50 0 IKAARN O=C(Nc1c(F)cc(F)cc1Br)c1ccccc1OCc1ccc(F)cc1 ZINC000003357153 569447726 /nfs/dbraw/zinc/44/77/26/569447726.db2.gz NXCLQOCZZZYMHP-UHFFFAOYSA-N 0 0 436.227 5.698 50 0 IKAARN CCc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 ZINC000003360066 569447818 /nfs/dbraw/zinc/44/78/18/569447818.db2.gz TYUKSYAFNBGIEX-QGZVFWFLSA-N 0 0 431.561 5.716 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000003360222 569447825 /nfs/dbraw/zinc/44/78/25/569447825.db2.gz CTUOASUPCGCDLP-UHFFFAOYSA-N 0 0 443.905 6.481 50 0 IKAARN CN1CCN(C(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)CC1 ZINC000058120303 569447898 /nfs/dbraw/zinc/44/78/98/569447898.db2.gz WXSBCKXAXZXDCO-UHFFFAOYSA-N 0 0 441.670 5.100 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000003361132 569447949 /nfs/dbraw/zinc/44/79/49/569447949.db2.gz HPFKFFNZTPQCJR-DEOSSOPVSA-N 0 0 429.545 5.609 50 0 IKAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1c(F)cccc1Cl ZINC000003362557 569447983 /nfs/dbraw/zinc/44/79/83/569447983.db2.gz ZMZYUWGYCHCFIS-UHFFFAOYSA-N 0 0 447.837 5.482 50 0 IKAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003363796 569448047 /nfs/dbraw/zinc/44/80/47/569448047.db2.gz VBXGOCLGQQNJCE-INIZCTEOSA-N 0 0 434.380 5.274 50 0 IKAARN CCc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 ZINC000003364577 569448114 /nfs/dbraw/zinc/44/81/14/569448114.db2.gz GULOWMIVFSDYDM-UHFFFAOYSA-N 0 0 433.533 5.036 50 0 IKAARN Cc1cccc(-n2nnnc2S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000003368987 569448243 /nfs/dbraw/zinc/44/82/43/569448243.db2.gz JWXLPKRTDUKMLK-HSZRJFAPSA-N 0 0 425.517 5.168 50 0 IKAARN CCOc1c(Br)cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1OC ZINC000030779933 569448255 /nfs/dbraw/zinc/44/82/55/569448255.db2.gz FXGRUGYLXNKCAH-RVHYNSKXSA-N 0 0 432.358 5.799 50 0 IKAARN CCOc1c(Br)cc([C@H]2Nc3ccc(CC)cc3[C@H]3OCC[C@H]32)cc1OC ZINC000030780657 569448259 /nfs/dbraw/zinc/44/82/59/569448259.db2.gz ZFYNLHRUYFNYII-RVHYNSKXSA-N 0 0 432.358 5.663 50 0 IKAARN CCOc1c(Br)cc([C@H]2Nc3ccc(OC)cc3[C@H]3OCCC[C@@H]23)cc1OC ZINC000030781214 569448302 /nfs/dbraw/zinc/44/83/02/569448302.db2.gz ZMLHSENHWUCUEB-RVHYNSKXSA-N 0 0 448.357 5.500 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1C ZINC000003370309 569448318 /nfs/dbraw/zinc/44/83/18/569448318.db2.gz PFBPUNUMIDMHNX-UHFFFAOYSA-N 0 0 437.999 5.439 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000003370505 569448474 /nfs/dbraw/zinc/44/84/74/569448474.db2.gz MJENLPPSXMAACP-KRWDZBQOSA-N 0 0 433.602 5.588 50 0 IKAARN CCc1c(C)sc2nc(-c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)[nH]c(=O)c12 ZINC000003372412 569448496 /nfs/dbraw/zinc/44/84/96/569448496.db2.gz ODAUKCJXUYHAKO-UHFFFAOYSA-N 0 0 441.915 5.567 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)cc1 ZINC000003371567 569448515 /nfs/dbraw/zinc/44/85/15/569448515.db2.gz DWXFPFBRFINWTK-UHFFFAOYSA-N 0 0 443.572 5.296 50 0 IKAARN Cc1cc(C)c(NC(=O)COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c(C)c1 ZINC000003373537 569448557 /nfs/dbraw/zinc/44/85/57/569448557.db2.gz WGBGGDQHDARUJJ-UHFFFAOYSA-N 0 0 439.515 5.260 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003374144 569448608 /nfs/dbraw/zinc/44/86/08/569448608.db2.gz WWKDHMZULNNLAO-RBUKOAKNSA-N 0 0 443.572 5.149 50 0 IKAARN O=S1(=O)c2cccc3cccc(c23)N1CCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003376321 569448665 /nfs/dbraw/zinc/44/86/65/569448665.db2.gz RADPFGGGBHCUFW-UHFFFAOYSA-N 0 0 449.522 6.239 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccc(Oc2ccccc2)c1 ZINC000003376512 569448680 /nfs/dbraw/zinc/44/86/80/569448680.db2.gz ZDFVKEIIQNSQDF-UHFFFAOYSA-N 0 0 448.573 5.673 50 0 IKAARN Cc1cc(=O)oc2c(C)c(OC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)ccc12 ZINC000003378926 569448715 /nfs/dbraw/zinc/44/87/15/569448715.db2.gz VJOSDNQWMAHXHT-UHFFFAOYSA-N 0 0 436.467 5.482 50 0 IKAARN O=C(CCCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000003378849 569448722 /nfs/dbraw/zinc/44/87/22/569448722.db2.gz INHNFMXFKVMNHK-KRWDZBQOSA-N 0 0 431.558 5.080 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1C ZINC000003379169 569448755 /nfs/dbraw/zinc/44/87/55/569448755.db2.gz OKAARQHDNMJTOA-CMPLNLGQSA-N 0 0 439.368 5.048 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)OCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000003378975 569448760 /nfs/dbraw/zinc/44/87/60/569448760.db2.gz LZRYGMGMPGRGSV-UHFFFAOYSA-N 0 0 434.517 5.659 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12 ZINC000003382985 569448913 /nfs/dbraw/zinc/44/89/13/569448913.db2.gz GIEZXFXLFOSRLW-UHFFFAOYSA-N 0 0 444.365 7.678 50 0 IKAARN CCOc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)cc(OCC)c1OCC ZINC000003387236 569449043 /nfs/dbraw/zinc/44/90/43/569449043.db2.gz IRWSISSBENZDES-UHFFFAOYSA-N 0 0 433.548 5.744 50 0 IKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nc4sc5c(c4c(N)n3)CC[C@H](C)C5)o2)c1 ZINC000058162736 569449345 /nfs/dbraw/zinc/44/93/45/569449345.db2.gz DBTYQBHLOLWNTL-QWHCGFSZSA-N 0 0 437.594 5.610 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000003397894 569449486 /nfs/dbraw/zinc/44/94/86/569449486.db2.gz JHPJXMSZHKFHAX-UHFFFAOYSA-N 0 0 448.906 5.016 50 0 IKAARN CCCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058171224 569449606 /nfs/dbraw/zinc/44/96/06/569449606.db2.gz VKDRJQVOHSNNQX-NRFANRHFSA-N 0 0 448.394 5.521 50 0 IKAARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)Nc1ccccc1-c1ccccc1 ZINC000003406601 569449912 /nfs/dbraw/zinc/44/99/12/569449912.db2.gz CJJJPFGJACMINZ-UHFFFAOYSA-N 0 0 435.480 5.186 50 0 IKAARN O=c1cc(CSc2nc(-c3ccc(F)cc3)cs2)nc2ccc(Br)cn12 ZINC000003406530 569449926 /nfs/dbraw/zinc/44/99/26/569449926.db2.gz FPSTUIKLOKLVKY-UHFFFAOYSA-N 0 0 448.342 5.012 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 ZINC000003407479 569450019 /nfs/dbraw/zinc/45/00/19/569450019.db2.gz KSFGZEJMMQICCH-NRFANRHFSA-N 0 0 446.532 5.058 50 0 IKAARN CCCCc1ccc2nc(NC(=O)c3ccc(-c4ccc(OC(C)=O)cc4)cc3)sc2c1 ZINC000003410110 569450064 /nfs/dbraw/zinc/45/00/64/569450064.db2.gz DEGSLUUJJGYSEV-UHFFFAOYSA-N 0 0 444.556 6.484 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3cc(F)ccc3F)n2C2CCCCC2)cc1 ZINC000003412171 569450102 /nfs/dbraw/zinc/45/01/02/569450102.db2.gz FJTZGTRWUVVULX-UHFFFAOYSA-N 0 0 443.519 5.712 50 0 IKAARN Cc1csc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)n1 ZINC000003411761 569450118 /nfs/dbraw/zinc/45/01/18/569450118.db2.gz RVPGOWBCEJQCIJ-UHFFFAOYSA-N 0 0 448.617 5.960 50 0 IKAARN Cc1ccc(-n2c(Sc3nc4ccccn4c3C=O)nnc2-c2ccccc2)cc1C ZINC000003412709 569450167 /nfs/dbraw/zinc/45/01/67/569450167.db2.gz PQOWGKJADMZKAQ-UHFFFAOYSA-N 0 0 425.517 5.163 50 0 IKAARN O=S(=O)(N[C@@H](CNc1ccc2c(c1)CCC2)c1ccccc1)c1ccc(Cl)s1 ZINC000003412636 569450176 /nfs/dbraw/zinc/45/01/76/569450176.db2.gz WZMJAIPFZIJGMG-IBGZPJMESA-N 0 0 432.998 5.022 50 0 IKAARN O=C(Nc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl)c1cccs1 ZINC000003417277 569450281 /nfs/dbraw/zinc/45/02/81/569450281.db2.gz VEDNUJADMMQTTG-UHFFFAOYSA-N 0 0 440.830 5.805 50 0 IKAARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003418645 569450296 /nfs/dbraw/zinc/45/02/96/569450296.db2.gz PKJGRCNFYZMMOD-RUZDIDTESA-N 0 0 430.548 5.357 50 0 IKAARN CSc1nn(-c2ccc(C(=O)OCCOc3ccccc3Cl)cc2)c(=S)s1 ZINC000003420446 569450375 /nfs/dbraw/zinc/45/03/75/569450375.db2.gz AVDYAUOPIFFJPW-UHFFFAOYSA-N 0 0 438.983 5.274 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000003427901 569450672 /nfs/dbraw/zinc/45/06/72/569450672.db2.gz YOEAXJKNRNEFLY-ZDUSSCGKSA-N 0 0 448.038 5.554 50 0 IKAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003430712 569450808 /nfs/dbraw/zinc/45/08/08/569450808.db2.gz ZGQDAKSDKOGCNH-SANMLTNESA-N 0 0 446.506 5.200 50 0 IKAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000003431309 569450893 /nfs/dbraw/zinc/45/08/93/569450893.db2.gz ZLJBEWMVVZWUIT-UHFFFAOYSA-N 0 0 442.496 5.636 50 0 IKAARN S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000003433663 569450916 /nfs/dbraw/zinc/45/09/16/569450916.db2.gz BNURJPLYKRVXGB-HXUWFJFHSA-N 0 0 438.622 5.068 50 0 IKAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 ZINC000003433722 569450961 /nfs/dbraw/zinc/45/09/61/569450961.db2.gz ZZVUXMAIBYVCIK-SFHVURJKSA-N 0 0 444.560 5.274 50 0 IKAARN Cc1nc(SCC(=O)Nc2ccc(C)cc2)sc1Cc1cc(Cl)ccc1Cl ZINC000003434881 569450989 /nfs/dbraw/zinc/45/09/89/569450989.db2.gz TVPIEUXKVYDNFM-UHFFFAOYSA-N 0 0 437.417 6.388 50 0 IKAARN Cc1cccc(OCCSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)c1 ZINC000003437198 569451066 /nfs/dbraw/zinc/45/10/66/569451066.db2.gz SXRLCAZGCHLEBD-UHFFFAOYSA-N 0 0 448.613 5.475 50 0 IKAARN CCOc1ccc2nc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)sc2c1 ZINC000003439359 569451100 /nfs/dbraw/zinc/45/11/00/569451100.db2.gz OPZACIFRYLDXEQ-UHFFFAOYSA-N 0 0 448.613 6.016 50 0 IKAARN COc1ccc(Cl)cc1-c1nc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n[nH]1 ZINC000003438341 569451126 /nfs/dbraw/zinc/45/11/26/569451126.db2.gz NNEKQFSLEJIXIY-UHFFFAOYSA-N 0 0 439.924 5.021 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)/C=C/c1cccnc1 ZINC000030928724 569451145 /nfs/dbraw/zinc/45/11/45/569451145.db2.gz LXUYYTYVTSDWGB-NTEUORMPSA-N 0 0 428.923 5.260 50 0 IKAARN Cc1ccccc1OCCSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000003441219 569451230 /nfs/dbraw/zinc/45/12/30/569451230.db2.gz XYPBOFAUMFMIMP-UHFFFAOYSA-N 0 0 445.544 5.202 50 0 IKAARN Cc1sc2ncnc(Sc3nc4ccccc4c(=O)n3Cc3ccccc3)c2c1C ZINC000003441809 569451270 /nfs/dbraw/zinc/45/12/70/569451270.db2.gz RGMGFLSCQFJJRT-UHFFFAOYSA-N 0 0 430.558 5.218 50 0 IKAARN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)OCC(=O)c1ccc(F)c(F)c1 ZINC000003443959 569451323 /nfs/dbraw/zinc/45/13/23/569451323.db2.gz BWQXWQDXXKFVBW-QHCPKHFHSA-N 0 0 446.902 5.867 50 0 IKAARN Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C[C@@H]3CCCO3)cs2)cc1 ZINC000003444310 569451327 /nfs/dbraw/zinc/45/13/27/569451327.db2.gz FGJDQOCOTOSVLH-IBGZPJMESA-N 0 0 449.601 5.300 50 0 IKAARN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)sc2c1 ZINC000003446799 569451373 /nfs/dbraw/zinc/45/13/73/569451373.db2.gz FTXNPDRRSXREIN-SNVBAGLBSA-N 0 0 427.378 6.121 50 0 IKAARN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)sc2c1 ZINC000003446796 569451414 /nfs/dbraw/zinc/45/14/14/569451414.db2.gz FTXNPDRRSXREIN-JTQLQIEISA-N 0 0 427.378 6.121 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccccc2)cc1 ZINC000003446829 569451440 /nfs/dbraw/zinc/45/14/40/569451440.db2.gz JWCOYMCBERZCKI-OAQYLSRUSA-N 0 0 445.500 5.246 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000003446840 569451473 /nfs/dbraw/zinc/45/14/73/569451473.db2.gz AIBBLDAVWHKKHQ-IIBYNOLFSA-N 0 0 445.592 5.856 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 ZINC000003448821 569451508 /nfs/dbraw/zinc/45/15/08/569451508.db2.gz VZDRKNPOKZVKLD-UHFFFAOYSA-N 0 0 429.910 5.535 50 0 IKAARN C[C@@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003449911 569451585 /nfs/dbraw/zinc/45/15/85/569451585.db2.gz NFTMOGRHPWHMPD-CQSZACIVSA-N 0 0 449.557 5.249 50 0 IKAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc(Br)ccc1Cl ZINC000003455907 569451757 /nfs/dbraw/zinc/45/17/57/569451757.db2.gz APAOXLUFRWPKKS-UHFFFAOYSA-N 0 0 429.673 5.757 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003455942 569451761 /nfs/dbraw/zinc/45/17/61/569451761.db2.gz ZADCUUORIWOZFR-UHFFFAOYSA-N 0 0 429.523 6.382 50 0 IKAARN O=C(c1ccccc1Oc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000003455549 569451763 /nfs/dbraw/zinc/45/17/63/569451763.db2.gz XGJCLLMPPFHKMC-UHFFFAOYSA-N 0 0 445.906 5.987 50 0 IKAARN COc1ccc(OCCCC(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)cc1 ZINC000003455910 569451771 /nfs/dbraw/zinc/45/17/71/569451771.db2.gz WTTNNQVDEQNQSZ-UHFFFAOYSA-N 0 0 446.572 6.006 50 0 IKAARN C[C@@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003455344 569451789 /nfs/dbraw/zinc/45/17/89/569451789.db2.gz IPJBZGWOOUYDMQ-ZIAGYGMSSA-N 0 0 426.563 5.180 50 0 IKAARN CN(CC(=O)Nc1ccccc1Cl)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000030998730 569452202 /nfs/dbraw/zinc/45/22/02/569452202.db2.gz VWRUOLRRXBSIDA-DEOSSOPVSA-N 0 0 431.923 5.316 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000003486611 569452404 /nfs/dbraw/zinc/45/24/04/569452404.db2.gz UIRVJMBFILBPLS-IBGZPJMESA-N 0 0 434.923 5.623 50 0 IKAARN c1csc(-c2nnc(SCc3cnc(-c4ccccc4)s3)n2C[C@H]2CCCO2)c1 ZINC000003504319 569452909 /nfs/dbraw/zinc/45/29/09/569452909.db2.gz UKDGHCOLOSAPKV-MRXNPFEDSA-N 0 0 440.619 5.601 50 0 IKAARN CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000003534135 569453505 /nfs/dbraw/zinc/45/35/05/569453505.db2.gz KSXBEAGAJRMDFT-UHFFFAOYSA-N 0 0 440.721 5.030 50 0 IKAARN Cc1ccccc1Cn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000003581683 569454318 /nfs/dbraw/zinc/45/43/18/569454318.db2.gz ILCYJOFOHNXQAT-UHFFFAOYSA-N 0 0 444.556 5.500 50 0 IKAARN COc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(Br)c2)cc1 ZINC000003582510 569454360 /nfs/dbraw/zinc/45/43/60/569454360.db2.gz AUEITVQKXFPYAY-HXUWFJFHSA-N 0 0 442.382 5.061 50 0 IKAARN CCc1cccc(C)c1NC(=S)N1CCn2cccc2[C@H]1c1cc(OC)ccc1OC ZINC000003582663 569454395 /nfs/dbraw/zinc/45/43/95/569454395.db2.gz COZATZVMMIHMKG-XMMPIXPASA-N 0 0 435.593 5.178 50 0 IKAARN O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)N1CCCCCC1 ZINC000058439497 569454716 /nfs/dbraw/zinc/45/47/16/569454716.db2.gz OTLFQGYVBUSTKE-UHFFFAOYSA-N 0 0 442.368 5.202 50 0 IKAARN Cc1ccc(CSc2nnc(NC(=O)c3sccc3Br)s2)cc1 ZINC000058440684 569454784 /nfs/dbraw/zinc/45/47/84/569454784.db2.gz AUNSRXQXASXSDA-UHFFFAOYSA-N 0 0 426.386 5.215 50 0 IKAARN COc1cc2c(cc1OC)CN(C(=O)c1ccccc1-c1ncc(-c3ccccc3)o1)CC2 ZINC000031239111 569455009 /nfs/dbraw/zinc/45/50/09/569455009.db2.gz JGNCYXFPOCSJFQ-UHFFFAOYSA-N 0 0 440.499 5.224 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3n2)cc1 ZINC000003629326 569455147 /nfs/dbraw/zinc/45/51/47/569455147.db2.gz BHIYBLSVAQOFHA-UHFFFAOYSA-N 0 0 446.816 5.329 50 0 IKAARN O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1 ZINC000003625738 569455158 /nfs/dbraw/zinc/45/51/58/569455158.db2.gz XQVYLGPQGGTKTC-AREMUKBSSA-N 0 0 432.995 6.537 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3n2)cc1 ZINC000003629317 569455190 /nfs/dbraw/zinc/45/51/90/569455190.db2.gz XUBCUHUSUUCJGF-UHFFFAOYSA-N 0 0 440.425 5.293 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4)cc3n2)cc1 ZINC000003629478 569455200 /nfs/dbraw/zinc/45/52/00/569455200.db2.gz PEQOLNMDTMSQIH-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN CC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000003629480 569455201 /nfs/dbraw/zinc/45/52/01/569455201.db2.gz HAEVHRKQWADOPZ-UHFFFAOYSA-N 0 0 438.409 5.178 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Cl)ccc4C)cc3n2)cc1 ZINC000003629654 569455235 /nfs/dbraw/zinc/45/52/35/569455235.db2.gz RAKGWIVWJIHICZ-UHFFFAOYSA-N 0 0 444.844 5.938 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4Cl)cc3n2)cc1 ZINC000003629663 569455250 /nfs/dbraw/zinc/45/52/50/569455250.db2.gz DUSOHVWYFNYISP-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)CCC5)cc3n2)cc1 ZINC000003629631 569455255 /nfs/dbraw/zinc/45/52/55/569455255.db2.gz SZEYCVDRSSYUEM-UHFFFAOYSA-N 0 0 436.437 5.465 50 0 IKAARN Cc1cccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000003629730 569455258 /nfs/dbraw/zinc/45/52/58/569455258.db2.gz VYANJHRDMCUELS-UHFFFAOYSA-N 0 0 430.817 5.629 50 0 IKAARN Cc1cccc(C)c1-n1c2[nH]c(=S)n(-c3cccc(Cl)c3)c(=O)c2sc1=S ZINC000003632905 569455445 /nfs/dbraw/zinc/45/54/45/569455445.db2.gz DZQCSHCGELAKCM-UHFFFAOYSA-N 0 0 431.995 5.900 50 0 IKAARN Cc1cccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(OCc3ccccc3)c2)c1 ZINC000003635139 569455457 /nfs/dbraw/zinc/45/54/57/569455457.db2.gz YYONWCZWSRRHSV-HSZRJFAPSA-N 0 0 425.575 5.010 50 0 IKAARN Cc1cccc(C)c1-n1c(N)c(C(=O)Nc2ccc(Br)cc2)sc1=S ZINC000003632857 569455467 /nfs/dbraw/zinc/45/54/67/569455467.db2.gz GVYDDBAEDURGIC-UHFFFAOYSA-N 0 0 434.384 5.482 50 0 IKAARN O=C1N[C@H](c2ccc(-c3cccc(Br)c3)o2)Nc2sc3c(c21)CCCC3 ZINC000003647329 569455646 /nfs/dbraw/zinc/45/56/46/569455646.db2.gz WEJUKPVOZBAUOG-SFHVURJKSA-N 0 0 429.339 6.078 50 0 IKAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003657934 569455782 /nfs/dbraw/zinc/45/57/82/569455782.db2.gz DXGLCLGQMCAUON-RPBOFIJWSA-N 0 0 428.532 5.368 50 0 IKAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003657933 569455809 /nfs/dbraw/zinc/45/58/09/569455809.db2.gz DXGLCLGQMCAUON-DQEYMECFSA-N 0 0 428.532 5.368 50 0 IKAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3Cl)c3ccccc3C(=O)N2C)cc1 ZINC000003657700 569455819 /nfs/dbraw/zinc/45/58/19/569455819.db2.gz GRWUHAUYAFUWOP-FCHUYYIVSA-N 0 0 438.886 5.037 50 0 IKAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3C(=O)N2C)cc1 ZINC000003657936 569455853 /nfs/dbraw/zinc/45/58/53/569455853.db2.gz DXGLCLGQMCAUON-JWQCQUIFSA-N 0 0 428.532 5.368 50 0 IKAARN COc1ccc(N2N=C(C(C)=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003672736 569456149 /nfs/dbraw/zinc/45/61/49/569456149.db2.gz FEYFTAFHGVHWOO-XMMPIXPASA-N 0 0 449.894 5.005 50 0 IKAARN COc1ccc(N2N=C(C(C)=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003672735 569456151 /nfs/dbraw/zinc/45/61/51/569456151.db2.gz FEYFTAFHGVHWOO-DEOSSOPVSA-N 0 0 449.894 5.005 50 0 IKAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1sc2ccccc2c1Cl ZINC000031348379 569456157 /nfs/dbraw/zinc/45/61/57/569456157.db2.gz FZSUBXCYAPBKPQ-ZHACJKMWSA-N 0 0 434.895 5.333 50 0 IKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000031380657 569456210 /nfs/dbraw/zinc/45/62/10/569456210.db2.gz SGOWLKCODAIXHA-SFHVURJKSA-N 0 0 444.556 5.852 50 0 IKAARN O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc(Br)cc1F ZINC000031469674 569456510 /nfs/dbraw/zinc/45/65/10/569456510.db2.gz BTDXRTUGPZFVSX-UHFFFAOYSA-N 0 0 435.680 5.468 50 0 IKAARN Cc1c([C@H](C)NC(=O)CCc2ncc(-c3ccccc3F)o2)cnn1-c1ccc(C)cc1 ZINC000031563666 569456803 /nfs/dbraw/zinc/45/68/03/569456803.db2.gz FKHDVNPGRFAEEC-KRWDZBQOSA-N 0 0 432.499 5.093 50 0 IKAARN Cc1ccc(-c2nn(CN(C)Cc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc32)cc1 ZINC000031732568 569457095 /nfs/dbraw/zinc/45/70/95/569457095.db2.gz FLMDUTYQHLVEKS-UHFFFAOYSA-N 0 0 437.465 5.480 50 0 IKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccccn1 ZINC000003999406 569457606 /nfs/dbraw/zinc/45/76/06/569457606.db2.gz SMZKBAODSMESBE-ARLMHJPKSA-N 0 0 428.617 5.131 50 0 biogenic IKAARN CC(C)Cc1csc2c1c1nc(-c3ccncc3)nn1c(=O)n2Cc1ccccc1Cl ZINC000031821064 569458050 /nfs/dbraw/zinc/45/80/50/569458050.db2.gz QMJVQXWRWYWDID-UHFFFAOYSA-N 0 0 449.967 5.068 50 0 IKAARN CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000004028712 569458246 /nfs/dbraw/zinc/45/82/46/569458246.db2.gz LSBXOTFRMIJYQL-LUPWRHKPSA-N 0 0 435.649 5.056 50 0 biogenic IKAARN CCCCCC1CCC(c2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)CC1 ZINC000004036583 569458315 /nfs/dbraw/zinc/45/83/15/569458315.db2.gz WFVCFWYRUAODCC-UHFFFAOYSA-N 0 0 429.586 5.614 50 0 IKAARN Cc1ccc(C(C)C)c(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 ZINC000031903391 569458333 /nfs/dbraw/zinc/45/83/33/569458333.db2.gz LYYBSVCNKPKQQH-UHFFFAOYSA-N 0 0 445.563 5.802 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1cccc(Cl)c1 ZINC000031903691 569458336 /nfs/dbraw/zinc/45/83/36/569458336.db2.gz BWIJTPOWDFCUPC-JRMCHAMMSA-N 0 0 427.935 5.924 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000004045917 569458370 /nfs/dbraw/zinc/45/83/70/569458370.db2.gz FCHPWMAMKLOPSZ-UHFFFAOYSA-N 0 0 429.951 6.654 50 0 IKAARN CCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OCC)cc1C ZINC000031904067 569458381 /nfs/dbraw/zinc/45/83/81/569458381.db2.gz YRLMRFKDVLIRBN-UHFFFAOYSA-N 0 0 439.577 5.184 50 0 IKAARN COc1ccc(NC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)cc1 ZINC000004043711 569458414 /nfs/dbraw/zinc/45/84/14/569458414.db2.gz SZCUAQITTPFEBX-FPNNDXFKSA-N 0 0 434.624 6.651 50 0 biogenic IKAARN CCC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@]1(C(C)C)CCOC(C)(C)C1 ZINC000004061066 569458487 /nfs/dbraw/zinc/45/84/87/569458487.db2.gz DJQRMWXMCYDMSW-SANMLTNESA-N 0 0 431.617 5.751 50 0 biogenic IKAARN COc1cc(C(=O)Nc2ccc(Br)cn2)ccc1OCc1ccc(Cl)cc1 ZINC000004064174 569458513 /nfs/dbraw/zinc/45/85/13/569458513.db2.gz XVEHZDRYUPOJJQ-UHFFFAOYSA-N 0 0 447.716 5.337 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(Cl)c2)CCC(C(C)(C)C)CC1 ZINC000004065787 569458548 /nfs/dbraw/zinc/45/85/48/569458548.db2.gz SVASYQNCVWGBOZ-UHFFFAOYSA-N 0 0 438.019 6.476 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(Cl)cc2)CCC(C(C)(C)C)CC1 ZINC000004065786 569458555 /nfs/dbraw/zinc/45/85/55/569458555.db2.gz SNWYEZOFYOBPLQ-UHFFFAOYSA-N 0 0 438.019 6.476 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000004076309 569458670 /nfs/dbraw/zinc/45/86/70/569458670.db2.gz HUOPPFBNVQLPSO-UHFFFAOYSA-N 0 0 432.608 5.084 50 0 IKAARN Cc1c(NC(=S)NC(=O)C=Cc2ccccc2)cccc1-c1nc2ccccc2s1 ZINC000004082380 569458678 /nfs/dbraw/zinc/45/86/78/569458678.db2.gz CPPYMZWGGUBTKG-CCEZHUSRSA-N 0 0 429.570 5.798 50 0 IKAARN CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4 ZINC000004083904 569458720 /nfs/dbraw/zinc/45/87/20/569458720.db2.gz MCSMMGJCXCBSKD-YNMAKAPDSA-N 0 0 426.729 8.313 50 0 endogenous,in-man IKAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000004089841 569458875 /nfs/dbraw/zinc/45/88/75/569458875.db2.gz BIKYPNSLHXFTSR-UHFFFAOYSA-N 0 0 443.355 5.700 50 0 IKAARN O=C(Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1)c1ccccc1 ZINC000004090598 569458944 /nfs/dbraw/zinc/45/89/44/569458944.db2.gz MMHUOMNHRSNURP-UHFFFAOYSA-N 0 0 425.513 5.219 50 0 IKAARN Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1 ZINC000004090513 569458957 /nfs/dbraw/zinc/45/89/57/569458957.db2.gz DSIVGIOHWFADEQ-UHFFFAOYSA-N 0 0 445.588 5.672 50 0 IKAARN Cc1ccc(Cn2nc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2=O)cc1 ZINC000004105423 569459044 /nfs/dbraw/zinc/45/90/44/569459044.db2.gz PYMUZCQMSUXGES-UHFFFAOYSA-N 0 0 441.314 5.746 50 0 IKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)CC1 ZINC000004105945 569459082 /nfs/dbraw/zinc/45/90/82/569459082.db2.gz BLIASSRTGBQULU-KVMMDYEXSA-N 0 0 427.614 5.187 50 0 IKAARN Nc1c(Oc2cccc(OC(F)(F)F)c2)ncnc1Oc1cccc(OC(F)(F)F)c1 ZINC000004106779 569459083 /nfs/dbraw/zinc/45/90/83/569459083.db2.gz HJMUNDZBQVXAKN-UHFFFAOYSA-N 0 0 447.291 5.441 50 0 IKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109801 569459139 /nfs/dbraw/zinc/45/91/39/569459139.db2.gz PMCAHUPOULKUQE-UHFFFAOYSA-N 0 0 446.513 6.371 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)c1 ZINC000032091718 569459569 /nfs/dbraw/zinc/45/95/69/569459569.db2.gz BRYXTGQHKDVWIM-VWLOTQADSA-N 0 0 444.575 5.713 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1Cl ZINC000032092104 569459633 /nfs/dbraw/zinc/45/96/33/569459633.db2.gz PODLDCDZXYDZOU-INIZCTEOSA-N 0 0 433.270 5.476 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032091946 569459650 /nfs/dbraw/zinc/45/96/50/569459650.db2.gz HKFSEVXCUHOLRE-INIZCTEOSA-N 0 0 448.832 5.702 50 0 IKAARN CC(C)Cc1csc2c1c1nc(-c3cccnc3)nn1c(=O)n2Cc1ccc(Cl)cc1 ZINC000032093001 569459729 /nfs/dbraw/zinc/45/97/29/569459729.db2.gz WUQYPUHBUUFGHU-UHFFFAOYSA-N 0 0 449.967 5.068 50 0 IKAARN COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)c1cccc(OC)c1 ZINC000032094175 569459750 /nfs/dbraw/zinc/45/97/50/569459750.db2.gz WCXNNYKKURWYED-UHFFFAOYSA-N 0 0 435.549 5.289 50 0 IKAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000032093872 569459790 /nfs/dbraw/zinc/45/97/90/569459790.db2.gz DLSSNFIZHVOHIM-KRWDZBQOSA-N 0 0 445.306 5.345 50 0 IKAARN O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032096835 569459913 /nfs/dbraw/zinc/45/99/13/569459913.db2.gz LJEZPKVSZJZPJR-UHFFFAOYSA-N 0 0 444.962 5.467 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000004122550 569460004 /nfs/dbraw/zinc/46/00/04/569460004.db2.gz YFJXJZHFNSYQGI-UHFFFAOYSA-N 0 0 437.521 5.238 50 0 IKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000004122926 569460007 /nfs/dbraw/zinc/46/00/07/569460007.db2.gz RTANBBTTWBKGGJ-UHFFFAOYSA-N 0 0 449.558 5.981 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)c(Cl)c1 ZINC000004122517 569460046 /nfs/dbraw/zinc/46/00/46/569460046.db2.gz NPWNZXAZHJKVMY-UHFFFAOYSA-N 0 0 436.924 5.287 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1 ZINC000004122964 569460047 /nfs/dbraw/zinc/46/00/47/569460047.db2.gz OEZRFWMAHCPJFF-UHFFFAOYSA-N 0 0 443.572 6.362 50 0 IKAARN CC(C)(C)C(=O)COc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 ZINC000032102526 569460111 /nfs/dbraw/zinc/46/01/11/569460111.db2.gz IBALYQUJQNNRKH-UHFFFAOYSA-N 0 0 437.492 5.717 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2nc3cnccc3o2)ccc1Cl ZINC000032101825 569460138 /nfs/dbraw/zinc/46/01/38/569460138.db2.gz ZOEVEDJTWJXZPL-UHFFFAOYSA-N 0 0 430.316 5.927 50 0 IKAARN CCCOc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000004136742 569460294 /nfs/dbraw/zinc/46/02/94/569460294.db2.gz CNHKAKOHPFWJID-UHFFFAOYSA-N 0 0 428.576 6.750 50 0 IKAARN COc1ccc(CN(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000004131054 569460318 /nfs/dbraw/zinc/46/03/18/569460318.db2.gz NKZFFWPNHRYRQW-UHFFFAOYSA-N 0 0 444.453 5.957 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2C)c1 ZINC000004145670 569460435 /nfs/dbraw/zinc/46/04/35/569460435.db2.gz SLPCDEKBZXUPQX-UHFFFAOYSA-N 0 0 449.963 5.975 50 0 IKAARN CCC[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1C)C(=O)OCC ZINC000004146101 569460480 /nfs/dbraw/zinc/46/04/80/569460480.db2.gz XNCMWWMYFSKKIH-LJQANCHMSA-N 0 0 429.973 5.720 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2C)cc1 ZINC000004146096 569460497 /nfs/dbraw/zinc/46/04/97/569460497.db2.gz CIRAGFAYAHYHCI-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 ZINC000004177326 569460716 /nfs/dbraw/zinc/46/07/16/569460716.db2.gz CLQSTNBXINTVCK-UHPHFRDNSA-N 0 0 428.642 5.543 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2C2CCCCC2)cc1 ZINC000004184780 569460754 /nfs/dbraw/zinc/46/07/54/569460754.db2.gz SSUGXZWFAAYLSI-UHFFFAOYSA-N 0 0 448.419 6.923 50 0 IKAARN Fc1ccccc1-n1c(SCc2ccc(Br)cc2)nnc1-c1cccnc1 ZINC000004185721 569460756 /nfs/dbraw/zinc/46/07/56/569460756.db2.gz KIJQEFVQRDHNDD-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN COc1cccc(-c2nnc(SCc3c(F)cccc3Cl)n2-c2ccc(C)cc2)c1 ZINC000004185643 569460771 /nfs/dbraw/zinc/46/07/71/569460771.db2.gz CVAZPQXNAJPSTM-UHFFFAOYSA-N 0 0 439.943 6.336 50 0 IKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(C(F)(F)F)cc2)c1 ZINC000004186528 569460777 /nfs/dbraw/zinc/46/07/77/569460777.db2.gz JUEKJOPVQFMAHC-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN FC(F)(F)c1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(Cl)c2)cc1 ZINC000004186203 569460779 /nfs/dbraw/zinc/46/07/79/569460779.db2.gz OHLCBBDKDUSHAP-UHFFFAOYSA-N 0 0 435.858 6.492 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2OC)c1 ZINC000004187507 569460801 /nfs/dbraw/zinc/46/08/01/569460801.db2.gz OJRXQANHRQDXFE-UHFFFAOYSA-N 0 0 437.952 5.897 50 0 IKAARN Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000004186066 569460804 /nfs/dbraw/zinc/46/08/04/569460804.db2.gz GEUPKZPXITWSPP-UHFFFAOYSA-N 0 0 440.399 6.766 50 0 IKAARN Fc1ccc(F)c(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)c1 ZINC000004186221 569460825 /nfs/dbraw/zinc/46/08/25/569460825.db2.gz WYRCSIJRRFFHSK-UHFFFAOYSA-N 0 0 431.870 6.297 50 0 IKAARN O=C(CCCc1nc2ccccc2o1)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000032246488 569460953 /nfs/dbraw/zinc/46/09/53/569460953.db2.gz DXLMYDAUTZYHDL-UHFFFAOYSA-N 0 0 425.532 5.030 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)c1 ZINC000004209053 569460969 /nfs/dbraw/zinc/46/09/69/569460969.db2.gz TYIVEGZERXNDLS-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000004209060 569460971 /nfs/dbraw/zinc/46/09/71/569460971.db2.gz FZUGPPIIUPZBDA-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3F)n2-c2ccc(C)cc2)c1 ZINC000004211360 569460976 /nfs/dbraw/zinc/46/09/76/569460976.db2.gz QDVUWXBGKBXCNM-UHFFFAOYSA-N 0 0 435.524 5.691 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C)cc3)n2-c2ccccc2C)c1 ZINC000004211657 569460996 /nfs/dbraw/zinc/46/09/96/569460996.db2.gz FGYVIEHPKMZJIE-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C)cc3)n2-c2ccc(C)cc2)c1 ZINC000004211363 569460998 /nfs/dbraw/zinc/46/09/98/569460998.db2.gz GNNRZCMNEBEUMM-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1ccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2-c2ccccc2C)cc1 ZINC000004209021 569461008 /nfs/dbraw/zinc/46/10/08/569461008.db2.gz UHAHBQZRCWNFKR-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3C)n2-c2ccc(C)cc2)c1 ZINC000004212726 569461023 /nfs/dbraw/zinc/46/10/23/569461023.db2.gz AKGKLPYODUMMJH-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN Fc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000059367192 569461049 /nfs/dbraw/zinc/46/10/49/569461049.db2.gz INDNCLHUVLMFLC-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2-c2ccc(C)cc2)cc1 ZINC000004212036 569461051 /nfs/dbraw/zinc/46/10/51/569461051.db2.gz QDBGYIYNRFINLP-UHFFFAOYSA-N 0 0 439.943 6.336 50 0 IKAARN CC(C)(NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Br)cc1 ZINC000032399326 569461504 /nfs/dbraw/zinc/46/15/04/569461504.db2.gz AHLWMNQMQCMTLQ-UHFFFAOYSA-N 0 0 431.305 5.227 50 0 IKAARN Brc1ccc(-c2csc3ncnc(SCCc4ccccc4)c23)cc1 ZINC000004291032 569461849 /nfs/dbraw/zinc/46/18/49/569461849.db2.gz XALJOZGQSMMCRJ-UHFFFAOYSA-N 0 0 427.392 6.456 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000008007679 569462064 /nfs/dbraw/zinc/46/20/64/569462064.db2.gz PBAVTZRUAMWZDA-UHFFFAOYSA-N 0 0 431.580 6.012 50 0 IKAARN Ic1ccsc1/C=C/c1cscc1I ZINC000038205384 569462433 /nfs/dbraw/zinc/46/24/33/569462433.db2.gz IQGNYENQARSDQM-OWOJBTEDSA-N 0 0 444.100 5.189 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)c(C)c2)CC1=O ZINC000008361829 569462584 /nfs/dbraw/zinc/46/25/84/569462584.db2.gz XZAGRGAUAFIRCK-NRFANRHFSA-N 0 0 425.532 5.231 50 0 IKAARN CC(C)(C)c1cc(-n2c3ccccc3nc2-c2c[nH]c3ccccc23)cc(C(C)(C)C)c1O ZINC000008385764 569462679 /nfs/dbraw/zinc/46/26/79/569462679.db2.gz HJJKEWQFBLBRIK-UHFFFAOYSA-N 0 0 437.587 7.474 50 0 IKAARN COc1ccc(CCNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1OC ZINC000038486830 569462769 /nfs/dbraw/zinc/46/27/69/569462769.db2.gz MTCWEOZYEPAGMS-UHFFFAOYSA-N 0 0 446.572 5.504 50 0 IKAARN Nc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1cccc(Cl)c1 ZINC000038486700 569462779 /nfs/dbraw/zinc/46/27/79/569462779.db2.gz XRDCJOFVIGTNBU-UHFFFAOYSA-N 0 0 432.734 5.056 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nccn2nc(-c3cc(C)ccc3C)cc12 ZINC000038486625 569462782 /nfs/dbraw/zinc/46/27/82/569462782.db2.gz UNDUSJAZXVVHMI-UHFFFAOYSA-N 0 0 440.572 6.577 50 0 IKAARN O=C(Cc1cccs1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000038488450 569463095 /nfs/dbraw/zinc/46/30/95/569463095.db2.gz XGGIMXWWMCVPOV-UHFFFAOYSA-N 0 0 445.588 5.158 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1CC1CCCCC1 ZINC000008394117 569463207 /nfs/dbraw/zinc/46/32/07/569463207.db2.gz OUCNQCMWMWKCCT-UHFFFAOYSA-N 0 0 425.558 5.008 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(F)c2)N2CCOCC2)c1C ZINC000038546083 569463376 /nfs/dbraw/zinc/46/33/76/569463376.db2.gz LBKVKVAKDDTBQO-FQEVSTJZSA-N 0 0 430.570 5.239 50 0 IKAARN CCc1cc([C@@H](c2ccccc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546042 569463435 /nfs/dbraw/zinc/46/34/35/569463435.db2.gz SMXPEFCJCWKCGV-HXUWFJFHSA-N 0 0 430.957 5.231 50 0 IKAARN CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546038 569463442 /nfs/dbraw/zinc/46/34/42/569463442.db2.gz ATRXRJXANPMJSX-HXUWFJFHSA-N 0 0 430.957 5.231 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(Cl)c2)N2CCOCC2)c1C ZINC000038546076 569463443 /nfs/dbraw/zinc/46/34/43/569463443.db2.gz GARWYASFCAXRHC-HXUWFJFHSA-N 0 0 447.025 5.754 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](c1cccc(F)c1)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546192 569463446 /nfs/dbraw/zinc/46/34/46/569463446.db2.gz KOTPPPXUVPLNIS-JOCHJYFZSA-N 0 0 440.540 5.033 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](c1ccc(F)cc1)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546189 569463476 /nfs/dbraw/zinc/46/34/76/569463476.db2.gz HECPKJCKCKQMAL-JOCHJYFZSA-N 0 0 440.540 5.033 50 0 IKAARN CSc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000038546152 569463495 /nfs/dbraw/zinc/46/34/95/569463495.db2.gz HUAHBMHMTUYYPG-FQEVSTJZSA-N 0 0 428.579 5.045 50 0 IKAARN Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCOCC2)cc1 ZINC000038546203 569463496 /nfs/dbraw/zinc/46/34/96/569463496.db2.gz ORKGXXVFPNQIEK-HSZRJFAPSA-N 0 0 436.577 5.202 50 0 IKAARN Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546426 569463567 /nfs/dbraw/zinc/46/35/67/569463567.db2.gz PHVVBAKSPAKHJH-HSZRJFAPSA-N 0 0 437.609 5.362 50 0 IKAARN CCc1cc([C@@H](c2ccccc2Cl)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546450 569463583 /nfs/dbraw/zinc/46/35/83/569463583.db2.gz XGLWFHLCLLBZOT-OAQYLSRUSA-N 0 0 444.000 5.146 50 0 IKAARN CCc1cc([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546448 569463589 /nfs/dbraw/zinc/46/35/89/569463589.db2.gz FPCURBIOIIGUAI-OAQYLSRUSA-N 0 0 444.000 5.146 50 0 IKAARN CCc1cc([C@@H](Nc2ccccn2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546648 569463661 /nfs/dbraw/zinc/46/36/61/569463661.db2.gz JCJIFHGSTTYAQV-QFIPXVFZSA-N 0 0 433.533 5.761 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2F)N2CCN(C)CC2)c1C ZINC000038546740 569463671 /nfs/dbraw/zinc/46/36/71/569463671.db2.gz KLLVJCAKPJQWGP-OAQYLSRUSA-N 0 0 443.613 5.155 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(F)c2)N2CCN(C)CC2)c1C ZINC000038546739 569463707 /nfs/dbraw/zinc/46/37/07/569463707.db2.gz YXQRRCLXUFNMHY-NRFANRHFSA-N 0 0 443.613 5.155 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547096 569463735 /nfs/dbraw/zinc/46/37/35/569463735.db2.gz QIDJKVVILYLLNJ-HSZRJFAPSA-N 0 0 447.560 6.069 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038547081 569463759 /nfs/dbraw/zinc/46/37/59/569463759.db2.gz DFYTVPMLKYVUCA-QFIPXVFZSA-N 0 0 433.602 6.529 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)ccn2)c2cccc(F)c2)c1C ZINC000038547043 569463769 /nfs/dbraw/zinc/46/37/69/569463769.db2.gz YBXGDMGOAYDMSF-XMMPIXPASA-N 0 0 445.563 6.661 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1cccs1)CCCC2)c1ccco1 ZINC000038547465 569463771 /nfs/dbraw/zinc/46/37/71/569463771.db2.gz LZIAIKSIUXAWMN-NRFANRHFSA-N 0 0 435.574 6.130 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547105 569463799 /nfs/dbraw/zinc/46/37/99/569463799.db2.gz YUOLVDSBNIMCHU-HSZRJFAPSA-N 0 0 447.560 6.069 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccccc1)CCCC2)c1ccccc1 ZINC000038547472 569463811 /nfs/dbraw/zinc/46/38/11/569463811.db2.gz XKVKJIIQXVNMKS-RUZDIDTESA-N 0 0 439.584 6.476 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547774 569463833 /nfs/dbraw/zinc/46/38/33/569463833.db2.gz WLSOMEUTLIYMPC-JOCHJYFZSA-N 0 0 435.524 6.200 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547788 569463835 /nfs/dbraw/zinc/46/38/35/569463835.db2.gz DVSWCYVMYXLRNG-QFIPXVFZSA-N 0 0 435.524 6.200 50 0 IKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547786 569463843 /nfs/dbraw/zinc/46/38/43/569463843.db2.gz DVSWCYVMYXLRNG-JOCHJYFZSA-N 0 0 435.524 6.200 50 0 IKAARN COc1ccccc1[C@H](Nc1cccc(C)n1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000038547555 569463863 /nfs/dbraw/zinc/46/38/63/569463863.db2.gz ZEVLHMMNVWHRTG-QHCPKHFHSA-N 0 0 447.560 6.124 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccc(C(C)C)cc2)c1C ZINC000038547654 569463875 /nfs/dbraw/zinc/46/38/75/569463875.db2.gz WPOROYWPUIBPMY-DEOSSOPVSA-N 0 0 445.588 6.930 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547794 569463899 /nfs/dbraw/zinc/46/38/99/569463899.db2.gz TVMRAFTYNHWPKU-JOCHJYFZSA-N 0 0 435.524 6.200 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c1C ZINC000038547683 569463903 /nfs/dbraw/zinc/46/39/03/569463903.db2.gz GSNYEXBBUQJTOC-JOCHJYFZSA-N 0 0 447.516 5.535 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547770 569463909 /nfs/dbraw/zinc/46/39/09/569463909.db2.gz LQEGYBKGADQTCN-JOCHJYFZSA-N 0 0 435.524 6.200 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547979 569463952 /nfs/dbraw/zinc/46/39/52/569463952.db2.gz MNBCIAAQJMZOHR-HXUWFJFHSA-N 0 0 436.512 5.649 50 0 IKAARN Cc1nc(COc2cc(C)ccc2C)sc1C(=O)Nc1ccc(Br)cc1 ZINC000038548569 569463966 /nfs/dbraw/zinc/46/39/66/569463966.db2.gz YCPCSZYVHJLMDD-UHFFFAOYSA-N 0 0 431.355 5.662 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccco2)s1 ZINC000038547918 569463974 /nfs/dbraw/zinc/46/39/74/569463974.db2.gz JJGIINVCTXGTAH-JOCHJYFZSA-N 0 0 447.516 5.481 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547977 569463976 /nfs/dbraw/zinc/46/39/76/569463976.db2.gz MNBCIAAQJMZOHR-FQEVSTJZSA-N 0 0 436.512 5.649 50 0 IKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547850 569463977 /nfs/dbraw/zinc/46/39/77/569463977.db2.gz DYSGLEPZWMAWPX-QHCPKHFHSA-N 0 0 431.561 6.369 50 0 IKAARN COc1ccc([C@@H](Nc2nc(C)cc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547955 569463980 /nfs/dbraw/zinc/46/39/80/569463980.db2.gz OBCVVKBLUFUEHQ-OAQYLSRUSA-N 0 0 448.548 5.519 50 0 IKAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000038548407 569463991 /nfs/dbraw/zinc/46/39/91/569463991.db2.gz DNYBXWKAEOGFCV-UHFFFAOYSA-N 0 0 440.874 6.263 50 0 IKAARN CCc1ccc(-c2csc(NC(=O)c3sc(COc4cccc(C)c4)nc3C)n2)cc1 ZINC000038551395 569464006 /nfs/dbraw/zinc/46/40/06/569464006.db2.gz QXFAMPPPIBCXKE-UHFFFAOYSA-N 0 0 449.601 6.277 50 0 IKAARN C=CCN1C(=O)/C(=C\c2ccc(I)cc2)SC1=Nc1ccccc1 ZINC000008407348 569464048 /nfs/dbraw/zinc/46/40/48/569464048.db2.gz WHFMYQWZAVJVBL-BEOJHSSFSA-N 0 0 446.313 5.081 50 0 IKAARN Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1Cl ZINC000008427281 569464149 /nfs/dbraw/zinc/46/41/49/569464149.db2.gz PAGNGXBVGSLHCW-NRFANRHFSA-N 0 0 429.720 6.597 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O ZINC000038587033 569464213 /nfs/dbraw/zinc/46/42/13/569464213.db2.gz GVEKUZAVDFYXTJ-CTNGQTDRSA-N 0 0 425.532 5.565 50 0 IKAARN COc1ccc([C@@H](NC(=O)/C=C(/C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 ZINC000067192429 569464405 /nfs/dbraw/zinc/46/44/05/569464405.db2.gz PGOVFNZQZSMXCW-ONYMQZCISA-N 0 0 433.551 6.671 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc(Br)cc1 ZINC000008440360 569464412 /nfs/dbraw/zinc/46/44/12/569464412.db2.gz DMGGKZDCCDLMJY-UHFFFAOYSA-N 0 0 443.300 6.663 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1 ZINC000067209027 569464741 /nfs/dbraw/zinc/46/47/41/569464741.db2.gz SMCVSNKMILCSSD-UHFFFAOYSA-N 0 0 435.574 5.049 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c(C)c1 ZINC000067209154 569464813 /nfs/dbraw/zinc/46/48/13/569464813.db2.gz BYEHMYBKEJTPCB-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1cc(C(O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc(C)n1 ZINC000008448287 569464876 /nfs/dbraw/zinc/46/48/76/569464876.db2.gz KCJKBTQDUKCXKP-UHFFFAOYSA-N 0 0 425.372 6.020 50 0 IKAARN CC[C@]12C=C(Sc3ccc(Cl)cc3)C[C@@]1(C)C=C(Sc1ccc(Cl)cc1)C2 ZINC000008448370 569464886 /nfs/dbraw/zinc/46/48/86/569464886.db2.gz QUSWFYMBPHQHAJ-PKTZIBPZSA-N 0 0 433.469 8.856 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C ZINC000067217143 569464952 /nfs/dbraw/zinc/46/49/52/569464952.db2.gz RJLARZJQFXSJSG-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O ZINC000008451928 569465106 /nfs/dbraw/zinc/46/51/06/569465106.db2.gz CCIADQUOKKTSCR-RSWGBMCDSA-N 0 0 426.538 5.060 50 0 IKAARN CCCC[C@H](CC)C(=O)Oc1c(Br)cc(Br)c2cccnc21 ZINC000008452286 569465113 /nfs/dbraw/zinc/46/51/13/569465113.db2.gz PCCZPSHWSOCUSF-NSHDSACASA-N 0 0 429.152 5.882 50 0 IKAARN C[C@H]1C[C@H](C)CN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)C1 ZINC000067240744 569465689 /nfs/dbraw/zinc/46/56/89/569465689.db2.gz JDSLGNHGUMMOML-GJZGRUSLSA-N 0 0 425.458 5.446 50 0 IKAARN Cc1ccc(C)c(Cn2cnc3c(-c4ccc(Br)cc4)csc3c2=O)c1 ZINC000038653536 569465770 /nfs/dbraw/zinc/46/57/70/569465770.db2.gz CGQLXZCLXGBLKF-UHFFFAOYSA-N 0 0 425.351 5.553 50 0 IKAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)cc3)n2)cc1C ZINC000038651875 569465739 /nfs/dbraw/zinc/46/57/39/569465739.db2.gz ZCWWZYKEHQMFJX-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000038652880 569465758 /nfs/dbraw/zinc/46/57/58/569465758.db2.gz ARGFEADNGYJXEE-UHFFFAOYSA-N 0 0 434.970 5.096 50 0 IKAARN COC(=O)c1cccc(NC(=O)c2scc(-c3ccc(OC)cc3)c2-n2cccc2)c1 ZINC000038654690 569465814 /nfs/dbraw/zinc/46/58/14/569465814.db2.gz OXPFYPREIAYJQK-UHFFFAOYSA-N 0 0 432.501 5.253 50 0 IKAARN CCOc1ccc(-n2cc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)cc1 ZINC000067245213 569465833 /nfs/dbraw/zinc/46/58/33/569465833.db2.gz URBGCVSYUYMJHU-UHFFFAOYSA-N 0 0 439.471 5.115 50 0 IKAARN CCOc1ccc(-n2cc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 ZINC000067245223 569465838 /nfs/dbraw/zinc/46/58/38/569465838.db2.gz QWTWAOTUQJTTOG-UHFFFAOYSA-N 0 0 437.499 5.723 50 0 IKAARN COc1cccc(-n2cc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)c1 ZINC000067245199 569465839 /nfs/dbraw/zinc/46/58/39/569465839.db2.gz OTKJAVAHCYMXFI-UHFFFAOYSA-N 0 0 429.863 5.370 50 0 IKAARN COc1ccc(-c2noc(-c3cn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1OC ZINC000067245231 569465841 /nfs/dbraw/zinc/46/58/41/569465841.db2.gz SWDCXJPQNJUPKP-UHFFFAOYSA-N 0 0 439.471 5.033 50 0 IKAARN CCOc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 ZINC000067245214 569465842 /nfs/dbraw/zinc/46/58/42/569465842.db2.gz QIMILMRWQFSQHI-UHFFFAOYSA-N 0 0 443.890 5.760 50 0 IKAARN Cc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1C ZINC000067245291 569465850 /nfs/dbraw/zinc/46/58/50/569465850.db2.gz PUBDFXINNDOCLC-UHFFFAOYSA-N 0 0 427.891 5.978 50 0 IKAARN CCOc1ccc(-c2noc(-c3cn(-c4cccc(OC)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245193 569465862 /nfs/dbraw/zinc/46/58/62/569465862.db2.gz CCLDWXVIWKVAFR-UHFFFAOYSA-N 0 0 439.471 5.115 50 0 IKAARN COc1cc(OC)cc(-c2noc(-c3cn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)c1 ZINC000067245262 569465870 /nfs/dbraw/zinc/46/58/70/569465870.db2.gz IAIQVXVWSJDCCK-UHFFFAOYSA-N 0 0 439.471 5.033 50 0 IKAARN COc1ccccc1-c1noc(-c2cn(-c3cccc(Cl)c3)c(=O)c3ccccc23)n1 ZINC000067245446 569465916 /nfs/dbraw/zinc/46/59/16/569465916.db2.gz HARJUAAHIGJEHJ-UHFFFAOYSA-N 0 0 429.863 5.370 50 0 IKAARN CC(C)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000067245629 569465929 /nfs/dbraw/zinc/46/59/29/569465929.db2.gz SMTAIFBURZWCLF-UHFFFAOYSA-N 0 0 448.997 5.602 50 0 IKAARN CCc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000067245646 569465938 /nfs/dbraw/zinc/46/59/38/569465938.db2.gz ODMWODQYTPJLHI-UHFFFAOYSA-N 0 0 434.970 5.041 50 0 IKAARN COc1ccccc1-c1noc(Cc2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000067246051 569465954 /nfs/dbraw/zinc/46/59/54/569465954.db2.gz VZNUGMCALJFMPB-UHFFFAOYSA-N 0 0 428.311 5.222 50 0 IKAARN Cc1cc(SCC(=O)Nc2cccc(Br)c2)nc(-c2cccc(F)c2)n1 ZINC000067257404 569466104 /nfs/dbraw/zinc/46/61/04/569466104.db2.gz FIMPVRLYOVXFLI-UHFFFAOYSA-N 0 0 432.318 5.084 50 0 IKAARN Cc1cc(SCC(=O)Nc2cccc(Br)c2)nc(-c2ccc(F)cc2)n1 ZINC000067257210 569466123 /nfs/dbraw/zinc/46/61/23/569466123.db2.gz WELAJAOQWXOCKQ-UHFFFAOYSA-N 0 0 432.318 5.084 50 0 IKAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccc(C)c(C)c2)c1 ZINC000067258617 569466142 /nfs/dbraw/zinc/46/61/42/569466142.db2.gz CEAYYRPONKFNQG-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000067257753 569466173 /nfs/dbraw/zinc/46/61/73/569466173.db2.gz TUILTCWFWONUJJ-UHFFFAOYSA-N 0 0 434.348 5.498 50 0 IKAARN CN(C)c1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 ZINC000067259059 569466203 /nfs/dbraw/zinc/46/62/03/569466203.db2.gz JKLIXMSGOWWUDG-UHFFFAOYSA-N 0 0 443.616 6.042 50 0 IKAARN CN(C)c1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000067259090 569466205 /nfs/dbraw/zinc/46/62/05/569466205.db2.gz MTZDDOQSLDSXQT-UHFFFAOYSA-N 0 0 439.943 5.537 50 0 IKAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2cc(C)ccc2C)c1 ZINC000067258942 569466212 /nfs/dbraw/zinc/46/62/12/569466212.db2.gz VYMHQRKSSJXDHJ-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccc(Cl)cc1 ZINC000067259589 569466229 /nfs/dbraw/zinc/46/62/29/569466229.db2.gz QRQLSEHDYHFOFY-UHFFFAOYSA-N 0 0 445.346 6.183 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2cccc(C)c2)c1 ZINC000067259825 569466240 /nfs/dbraw/zinc/46/62/40/569466240.db2.gz USPKACFOFMTJMS-UHFFFAOYSA-N 0 0 442.540 5.800 50 0 IKAARN CCCCCn1c(=O)c2sccc2nc1SCc1ccc(N2CCCC2=O)cc1 ZINC000067259662 569466271 /nfs/dbraw/zinc/46/62/71/569466271.db2.gz ZLNCZQKOYMEIGK-UHFFFAOYSA-N 0 0 427.595 5.067 50 0 IKAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1F ZINC000067259592 569466272 /nfs/dbraw/zinc/46/62/72/569466272.db2.gz VNFLJHCISDJUTF-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3ccc(C)cc3)c(=O)c12 ZINC000067260273 569466290 /nfs/dbraw/zinc/46/62/90/569466290.db2.gz FGDDMMBMZRXWQM-UHFFFAOYSA-N 0 0 428.517 5.149 50 0 IKAARN CCN1c2ccccc2-c2nc(SCc3ccc(C(C)(C)C)cc3)ncc2S1(=O)=O ZINC000067260050 569466307 /nfs/dbraw/zinc/46/63/07/569466307.db2.gz NEFZVASFWMBGQB-UHFFFAOYSA-N 0 0 439.606 5.262 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(C)c(C)c2)cc1OC ZINC000067260469 569466348 /nfs/dbraw/zinc/46/63/48/569466348.db2.gz HOIWIUZBCZUPMO-UHFFFAOYSA-N 0 0 432.545 5.312 50 0 IKAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3cc(C)ccc3C)c(=O)c12 ZINC000067260376 569466351 /nfs/dbraw/zinc/46/63/51/569466351.db2.gz DFFBVCDHGRMWKN-UHFFFAOYSA-N 0 0 434.546 5.210 50 0 IKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2Cl)cc1OC ZINC000067260479 569466354 /nfs/dbraw/zinc/46/63/54/569466354.db2.gz FFPBGQAKTNUJJV-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CCc3ccccc3)c(=O)c12 ZINC000067260319 569466365 /nfs/dbraw/zinc/46/63/65/569466365.db2.gz ZESAEOLVEVWDAP-UHFFFAOYSA-N 0 0 448.935 5.380 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCCc5ccccc5)n4ccn3n2)cc1 ZINC000067260662 569466378 /nfs/dbraw/zinc/46/63/78/569466378.db2.gz DKSBHDHBOWOXPN-UHFFFAOYSA-N 0 0 443.576 5.558 50 0 IKAARN CSc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261470 569466492 /nfs/dbraw/zinc/46/64/92/569466492.db2.gz ZYRQCKGHLCQWMS-UHFFFAOYSA-N 0 0 431.952 5.932 50 0 IKAARN CCOc1ccccc1CNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21 ZINC000067261458 569466513 /nfs/dbraw/zinc/46/65/13/569466513.db2.gz PHVAMGBMRKQTAL-UHFFFAOYSA-N 0 0 429.911 5.609 50 0 IKAARN CCOc1cccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c1 ZINC000067261460 569466525 /nfs/dbraw/zinc/46/65/25/569466525.db2.gz GGQLRQBDQXVBPO-UHFFFAOYSA-N 0 0 429.911 5.609 50 0 IKAARN Fc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1Cl ZINC000067261491 569466538 /nfs/dbraw/zinc/46/65/38/569466538.db2.gz GCJNOEKCRXGSQZ-UHFFFAOYSA-N 0 0 438.293 6.003 50 0 IKAARN COc1ccc(OC)c(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)c1 ZINC000008497059 569466707 /nfs/dbraw/zinc/46/67/07/569466707.db2.gz FCXUYPVAJWWBHP-AUWJEWJLSA-N 0 0 425.699 5.470 50 0 IKAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000040103720 569488130 /nfs/dbraw/zinc/48/81/30/569488130.db2.gz SRUKZPSBSRUEBR-NSHDSACASA-N 0 0 425.710 5.099 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 ZINC000067289810 569467545 /nfs/dbraw/zinc/46/75/45/569467545.db2.gz MBJWQJOGGIOSAA-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)C)c4)nccn3n2)cc1C ZINC000067289975 569467546 /nfs/dbraw/zinc/46/75/46/569467546.db2.gz TZFSMDOOIRWBID-UHFFFAOYSA-N 0 0 430.577 5.867 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(C(F)(F)F)c1 ZINC000067290049 569467552 /nfs/dbraw/zinc/46/75/52/569467552.db2.gz GZJUPGRGTKGDKR-UHFFFAOYSA-N 0 0 434.468 5.207 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(CC)cc4)nccn3n2)cc1 ZINC000067290273 569467563 /nfs/dbraw/zinc/46/75/63/569467563.db2.gz VUTJGKSIHMNKBQ-UHFFFAOYSA-N 0 0 432.549 5.088 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4C)nccn3n2)cc1 ZINC000067290380 569467586 /nfs/dbraw/zinc/46/75/86/569467586.db2.gz NQQPJFGSQNNSRZ-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN Cc1ccc(Cl)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067293048 569467796 /nfs/dbraw/zinc/46/77/96/569467796.db2.gz NVZUXLDCAPHBRT-IFMSOTMUSA-N 0 0 431.319 5.189 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1F ZINC000067292986 569467808 /nfs/dbraw/zinc/46/78/08/569467808.db2.gz XZCRFQKVJSIXQB-IAIVQWBNSA-N 0 0 435.282 5.020 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067294732 569467896 /nfs/dbraw/zinc/46/78/96/569467896.db2.gz FTBBXNBNNOPDHG-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccccc2C)n1 ZINC000067294641 569467905 /nfs/dbraw/zinc/46/79/05/569467905.db2.gz DPUXTTXEEDPAKD-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2cccc(C)c2)nc1 ZINC000067294730 569467908 /nfs/dbraw/zinc/46/79/08/569467908.db2.gz CKTIVXRQVMKAOA-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccccc2C)nc1 ZINC000067294726 569467934 /nfs/dbraw/zinc/46/79/34/569467934.db2.gz GXIUELPULCKZON-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(F)ccc3Cl)oc21 ZINC000067295719 569467952 /nfs/dbraw/zinc/46/79/52/569467952.db2.gz KENOBIKSKCCZKD-VYIQYICTSA-N 0 0 437.858 5.422 50 0 IKAARN COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc(OC)c1 ZINC000067295206 569467965 /nfs/dbraw/zinc/46/79/65/569467965.db2.gz KWORFZYNCHTGFO-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(SC)cc3)oc21 ZINC000067295811 569467968 /nfs/dbraw/zinc/46/79/68/569467968.db2.gz HRTJATDJDUTUKN-LCUIJRPUSA-N 0 0 431.517 5.351 50 0 IKAARN O=C(Nc1ccccn1)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 ZINC000067295063 569467978 /nfs/dbraw/zinc/46/79/78/569467978.db2.gz NDZQHIIHPKGWIX-DAFNUICNSA-N 0 0 438.256 5.214 50 0 IKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c(OC)c1 ZINC000067295200 569467985 /nfs/dbraw/zinc/46/79/85/569467985.db2.gz DXVKRUSSVBGSJN-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(C)cn1 ZINC000067295209 569467990 /nfs/dbraw/zinc/46/79/90/569467990.db2.gz VWPVEVUSSSEDBM-PNHLSOANSA-N 0 0 433.895 5.673 50 0 IKAARN COc1ccc(Cl)cc1/N=c1\oc2c(cccc2OC)cc1C(=O)Nc1nccs1 ZINC000067295973 569467998 /nfs/dbraw/zinc/46/79/98/569467998.db2.gz KDHLIKIIAWPFMZ-GFMRDNFCSA-N 0 0 441.896 5.045 50 0 IKAARN COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 ZINC000067297132 569468027 /nfs/dbraw/zinc/46/80/27/569468027.db2.gz OYGBERQNPMNAEH-SGEDCAFJSA-N 0 0 428.488 5.552 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)c(C)c3)oc21 ZINC000067295990 569468040 /nfs/dbraw/zinc/46/80/40/569468040.db2.gz CDSXAANTWUVNKG-GFMRDNFCSA-N 0 0 425.897 5.344 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(Cl)ccc3C)oc21 ZINC000067295959 569468041 /nfs/dbraw/zinc/46/80/41/569468041.db2.gz HGSPSDHFKRKVGV-GFMRDNFCSA-N 0 0 425.897 5.344 50 0 IKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C(F)(F)F)c2)n1 ZINC000067297967 569468093 /nfs/dbraw/zinc/46/80/93/569468093.db2.gz GYSCPOYBVZZOFH-SLMZUGIISA-N 0 0 439.393 5.345 50 0 IKAARN CCC(C)(C)C1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067321566 569468611 /nfs/dbraw/zinc/46/86/11/569468611.db2.gz YGVYYFIPSKWOBV-CBTZJSNWSA-N 0 0 446.591 6.324 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)sc2c1CC[C@H](C)C2 ZINC000067339872 569468988 /nfs/dbraw/zinc/46/89/88/569468988.db2.gz DTHMZXKZKWWGKU-RNVIBTMRSA-N 0 0 439.533 5.456 50 0 IKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccccc4F)s3)oc21 ZINC000067339479 569469008 /nfs/dbraw/zinc/46/90/08/569469008.db2.gz KFJQUACNKQRBJG-VOTSOKGWSA-N 0 0 442.899 5.933 50 0 IKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)cc4)s3)oc21 ZINC000067339436 569469011 /nfs/dbraw/zinc/46/90/11/569469011.db2.gz QDEAPDWMXUGDRC-BQYQJAHWSA-N 0 0 438.936 6.102 50 0 IKAARN CSc1cccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c1 ZINC000067341472 569469022 /nfs/dbraw/zinc/46/90/22/569469022.db2.gz OEYFPOSRKRIFEF-UHFFFAOYSA-N 0 0 425.623 6.003 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 ZINC000008656866 569469661 /nfs/dbraw/zinc/46/96/61/569469661.db2.gz CBQQSPIKWJXYMZ-NRFANRHFSA-N 0 0 425.532 5.334 50 0 IKAARN COc1ccc(CNC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)cc1 ZINC000008705595 569470438 /nfs/dbraw/zinc/47/04/38/569470438.db2.gz MQZTWQMHGXEBID-UHFFFAOYSA-N 0 0 435.574 5.398 50 0 IKAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000008708051 569470594 /nfs/dbraw/zinc/47/05/94/569470594.db2.gz YBTIQAURMMFKBK-QHCPKHFHSA-N 0 0 447.991 5.885 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CCCC1 ZINC000008708071 569470600 /nfs/dbraw/zinc/47/06/00/569470600.db2.gz HVXMEBHMXXRYJP-AREMUKBSSA-N 0 0 435.531 5.443 50 0 IKAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 ZINC000008708598 569470694 /nfs/dbraw/zinc/47/06/94/569470694.db2.gz YCHYMRAZMZKAAQ-GFCCVEGCSA-N 0 0 433.327 5.261 50 0 IKAARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008709940 569470844 /nfs/dbraw/zinc/47/08/44/569470844.db2.gz ZPYAAEKYMJKBAL-UHFFFAOYSA-N 0 0 441.906 6.095 50 0 IKAARN C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000008710434 569470941 /nfs/dbraw/zinc/47/09/41/569470941.db2.gz AFPCIPAIZGJXKC-KRWDZBQOSA-N 0 0 432.553 5.161 50 0 IKAARN O[C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccccc2)cs1 ZINC000008711377 569470992 /nfs/dbraw/zinc/47/09/92/569470992.db2.gz LQHAPRNSAWPMSM-QFIPXVFZSA-N 0 0 439.462 5.829 50 0 IKAARN Cc1cc(C)c(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)c(C)c1 ZINC000008711265 569471027 /nfs/dbraw/zinc/47/10/27/569471027.db2.gz YYXFIKAMYAANTE-UHFFFAOYSA-N 0 0 430.573 6.035 50 0 IKAARN O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000008717184 569471084 /nfs/dbraw/zinc/47/10/84/569471084.db2.gz DIVJQSYDDFBAJD-UHFFFAOYSA-N 0 0 440.282 5.051 50 0 IKAARN C[C@@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000008717860 569471168 /nfs/dbraw/zinc/47/11/68/569471168.db2.gz WIFJPOYNLOHKKU-ZDUSSCGKSA-N 0 0 439.334 5.331 50 0 IKAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn(CCCOc3ccc(C)cc3)c(=O)c12 ZINC000008717787 569471180 /nfs/dbraw/zinc/47/11/80/569471180.db2.gz GGLNPYWJFITRFI-UHFFFAOYSA-N 0 0 447.560 5.105 50 0 IKAARN Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000008717983 569471187 /nfs/dbraw/zinc/47/11/87/569471187.db2.gz IWIMPARZQZLWGW-UHFFFAOYSA-N 0 0 427.331 5.501 50 0 IKAARN COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1F ZINC000008718629 569471312 /nfs/dbraw/zinc/47/13/12/569471312.db2.gz IJSSRGXBRRMIGZ-UHFFFAOYSA-N 0 0 446.400 5.287 50 0 IKAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(CN2CCCC2=O)cc1 ZINC000008718536 569471348 /nfs/dbraw/zinc/47/13/48/569471348.db2.gz MFPZRAVVYPCNSC-UHFFFAOYSA-N 0 0 431.561 5.064 50 0 IKAARN Cc1nc(SCC(=O)N(C)Cc2nc3ccccc3s2)n(C2CCCCC2)c1C ZINC000008720004 569471472 /nfs/dbraw/zinc/47/14/72/569471472.db2.gz UECPHYSRMWHYQS-UHFFFAOYSA-N 0 0 428.627 5.366 50 0 IKAARN CCn1ccnc1S[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000008719939 569471473 /nfs/dbraw/zinc/47/14/73/569471473.db2.gz SWBNLNUQTBFYFU-QGZVFWFLSA-N 0 0 439.890 6.047 50 0 IKAARN COc1ccccc1-n1c(SCc2ncc(-c3ccccc3)o2)nnc1N1CCCCC1 ZINC000008721362 569471698 /nfs/dbraw/zinc/47/16/98/569471698.db2.gz COWYJNUPPCEKCD-UHFFFAOYSA-N 0 0 447.564 5.214 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1cccs1)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC000008722047 569471745 /nfs/dbraw/zinc/47/17/45/569471745.db2.gz DDVLGQFKZAZRIF-UHFFFAOYSA-N 0 0 443.908 5.339 50 0 IKAARN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1 ZINC000008721658 569471751 /nfs/dbraw/zinc/47/17/51/569471751.db2.gz LKYAVULDRDMUAL-UHFFFAOYSA-N 0 0 443.930 6.466 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000008722581 569471814 /nfs/dbraw/zinc/47/18/14/569471814.db2.gz KNKYIHVBDYUDSG-DEOSSOPVSA-N 0 0 437.326 5.566 50 0 IKAARN COc1cccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3c(Cl)cccc32)c1 ZINC000008722275 569471830 /nfs/dbraw/zinc/47/18/30/569471830.db2.gz JSLCYGKPOUYYCU-UHFFFAOYSA-N 0 0 445.902 5.912 50 0 IKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3ncc(-c4ccccc4)n3Cc3ccco3)o2)c1 ZINC000008725167 569472101 /nfs/dbraw/zinc/47/21/01/569472101.db2.gz RYKOICDLHXCINQ-GOSISDBHSA-N 0 0 442.544 6.403 50 0 IKAARN CC(=O)N(c1nc(CSc2nccn2-c2cccc(C)c2)cs1)c1cccc(C)c1 ZINC000008725217 569472154 /nfs/dbraw/zinc/47/21/54/569472154.db2.gz CRMYQEAUEQFSIV-UHFFFAOYSA-N 0 0 434.590 5.923 50 0 IKAARN COCc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000008726820 569472295 /nfs/dbraw/zinc/47/22/95/569472295.db2.gz HKNMUAGHZKSEJH-UHFFFAOYSA-N 0 0 428.410 5.356 50 0 IKAARN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000008727889 569472351 /nfs/dbraw/zinc/47/23/51/569472351.db2.gz IGHHOCBJPFBAJF-JTSKRJEESA-N 0 0 432.593 5.555 50 0 IKAARN O=[S@@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000008733522 569472459 /nfs/dbraw/zinc/47/24/59/569472459.db2.gz QEDQOIMWAJZJCA-AREMUKBSSA-N 0 0 425.764 5.691 50 0 IKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccc(Oc4ccccc4)cc3)nc2n1 ZINC000008733489 569472491 /nfs/dbraw/zinc/47/24/91/569472491.db2.gz JILMQZRNLHPVLW-UHFFFAOYSA-N 0 0 449.354 7.203 50 0 IKAARN COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000008733618 569472528 /nfs/dbraw/zinc/47/25/28/569472528.db2.gz HDVCFEDZJHJAMG-UHFFFAOYSA-N 0 0 433.722 6.301 50 0 IKAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccccc3F)n2C)c1 ZINC000008735813 569472637 /nfs/dbraw/zinc/47/26/37/569472637.db2.gz XEXZAFODQMYVMC-UHFFFAOYSA-N 0 0 446.551 5.255 50 0 IKAARN CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c21 ZINC000008740238 569472801 /nfs/dbraw/zinc/47/28/01/569472801.db2.gz QXSPVYASSPDKHY-BYNJWEBRSA-N 0 0 441.527 6.693 50 0 biogenic IKAARN CCn1c2ccccc2c2cc(/C=C/[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 ZINC000008740136 569472806 /nfs/dbraw/zinc/47/28/06/569472806.db2.gz FNSAGXWCIIDFMA-HPXJJZNJSA-N 0 0 435.571 5.842 50 0 biogenic IKAARN CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c21 ZINC000008740234 569472810 /nfs/dbraw/zinc/47/28/10/569472810.db2.gz KXNHVBYBRRJLMT-BYNJWEBRSA-N 0 0 441.527 6.693 50 0 biogenic IKAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3cccc4ccccc43)n2)cc1C ZINC000008740511 569472869 /nfs/dbraw/zinc/47/28/69/569472869.db2.gz JOKPVDWBAZMIFW-UHFFFAOYSA-N 0 0 449.550 6.980 50 0 biogenic IKAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3ccc(OC)c(OC)c3)n2)cc1 ZINC000008740469 569472874 /nfs/dbraw/zinc/47/28/74/569472874.db2.gz KJMWDAPBLSMPJQ-UHFFFAOYSA-N 0 0 445.515 5.536 50 0 biogenic IKAARN Cc1ccc(SCC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1C ZINC000008747864 569473172 /nfs/dbraw/zinc/47/31/72/569473172.db2.gz YQWZRERRGWPBFS-UHFFFAOYSA-N 0 0 438.515 5.290 50 0 IKAARN c1csc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2C[C@H]2CCCO2)c1 ZINC000008748194 569473182 /nfs/dbraw/zinc/47/31/82/569473182.db2.gz STSPHGCAWUTPAA-QGZVFWFLSA-N 0 0 440.619 5.601 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)NCc3cccs3)nc2-c2ccc(C)cc2)cc1 ZINC000008749183 569473270 /nfs/dbraw/zinc/47/32/70/569473270.db2.gz UHTYGZRCLVUNNT-UHFFFAOYSA-N 0 0 446.601 5.292 50 0 IKAARN Cc1sc2nc(SCc3nc(-c4ccccc4Cl)no3)n(C(C)C)c(=O)c2c1C ZINC000008750327 569473367 /nfs/dbraw/zinc/47/33/67/569473367.db2.gz DQANCLFJUQGMTK-UHFFFAOYSA-N 0 0 446.985 5.651 50 0 IKAARN O=C(c1ccccc1)[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000008750905 569473406 /nfs/dbraw/zinc/47/34/06/569473406.db2.gz DNLGEAHCXNYORJ-QHCPKHFHSA-N 0 0 431.586 5.982 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000008751230 569473432 /nfs/dbraw/zinc/47/34/32/569473432.db2.gz WXRRCJCCFHBSIF-JKSUJKDBSA-N 0 0 439.556 5.009 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccccc1)occ3-c1ccc(F)cc1 ZINC000008752010 569473522 /nfs/dbraw/zinc/47/35/22/569473522.db2.gz CADFTUQEHKVYAB-UHFFFAOYSA-N 0 0 441.458 5.513 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 ZINC000008752395 569473528 /nfs/dbraw/zinc/47/35/28/569473528.db2.gz FCYXYJZECUYNRI-KRWDZBQOSA-N 0 0 433.914 5.706 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000008752632 569473563 /nfs/dbraw/zinc/47/35/63/569473563.db2.gz WXQJNNDPNNKWCB-UHFFFAOYSA-N 0 0 428.319 5.347 50 0 IKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O ZINC000008752576 569473571 /nfs/dbraw/zinc/47/35/71/569473571.db2.gz XPPQFZAOPVXNOK-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 ZINC000008752722 569473582 /nfs/dbraw/zinc/47/35/82/569473582.db2.gz DIZGOWSWFLZVSL-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCc1ccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000008752665 569473583 /nfs/dbraw/zinc/47/35/83/569473583.db2.gz OFKLWJKPKCHEHI-UHFFFAOYSA-N 0 0 431.536 5.023 50 0 IKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O ZINC000008752581 569473608 /nfs/dbraw/zinc/47/36/08/569473608.db2.gz XPPQFZAOPVXNOK-IBGZPJMESA-N 0 0 445.950 5.598 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000008752798 569473610 /nfs/dbraw/zinc/47/36/10/569473610.db2.gz GNSWCLLIYCMDJE-HXUWFJFHSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c(C)c1 ZINC000008752806 569473612 /nfs/dbraw/zinc/47/36/12/569473612.db2.gz OECWEEUITKDQMP-FQEVSTJZSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000008752981 569473619 /nfs/dbraw/zinc/47/36/19/569473619.db2.gz WKIMUGFQNSURFU-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)c1C ZINC000008753243 569473665 /nfs/dbraw/zinc/47/36/65/569473665.db2.gz RDTDRSUTUCSQQQ-OAQYLSRUSA-N 0 0 441.550 5.978 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000008753337 569473667 /nfs/dbraw/zinc/47/36/67/569473667.db2.gz BCJHMSRUXGQCJK-QHCPKHFHSA-N 0 0 439.559 5.330 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1Cc1ccccc1 ZINC000008753295 569473671 /nfs/dbraw/zinc/47/36/71/569473671.db2.gz DQBOYKNAJYTEPR-GOSISDBHSA-N 0 0 433.914 5.393 50 0 IKAARN CSc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000008753119 569473686 /nfs/dbraw/zinc/47/36/86/569473686.db2.gz AOZDDYKRYMLZLB-GOSISDBHSA-N 0 0 431.536 5.466 50 0 IKAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)c1C ZINC000008753246 569473692 /nfs/dbraw/zinc/47/36/92/569473692.db2.gz RDTDRSUTUCSQQQ-NRFANRHFSA-N 0 0 441.550 5.978 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1Cc1ccccc1 ZINC000008753370 569473697 /nfs/dbraw/zinc/47/36/97/569473697.db2.gz NZEXWUPKCCWVNF-HSZRJFAPSA-N 0 0 439.559 5.412 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000008753183 569473707 /nfs/dbraw/zinc/47/37/07/569473707.db2.gz WXXBQLAHEYOXNH-LJQANCHMSA-N 0 0 429.495 5.083 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000008753757 569473743 /nfs/dbraw/zinc/47/37/43/569473743.db2.gz AHAJKGRIZDUBTB-UHFFFAOYSA-N 0 0 445.931 6.448 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 ZINC000008754684 569473846 /nfs/dbraw/zinc/47/38/46/569473846.db2.gz HICQIQIBOSQYSW-QHCPKHFHSA-N 0 0 439.559 5.248 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc(Cl)c1 ZINC000008755002 569473894 /nfs/dbraw/zinc/47/38/94/569473894.db2.gz QRCKJOWCNOUQOK-SFHVURJKSA-N 0 0 431.923 5.289 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1cccc(Cl)c1 ZINC000008755084 569473914 /nfs/dbraw/zinc/47/39/14/569473914.db2.gz AFYCZCKMLMGINQ-IBGZPJMESA-N 0 0 445.950 5.679 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O ZINC000008755284 569473976 /nfs/dbraw/zinc/47/39/76/569473976.db2.gz CKMOXXFASMWQLF-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN COc1ccc(-c2nnc(SCc3csc(NC(C)=O)n3)n2C2CCCCC2)cc1 ZINC000008755252 569473982 /nfs/dbraw/zinc/47/39/82/569473982.db2.gz LNZDKRPFMCSGRR-UHFFFAOYSA-N 0 0 443.598 5.166 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008756175 569474067 /nfs/dbraw/zinc/47/40/67/569474067.db2.gz BTEZETIOJDHXQO-HXUWFJFHSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008756145 569474082 /nfs/dbraw/zinc/47/40/82/569474082.db2.gz KEZHFACKPSBMKR-HXUWFJFHSA-N 0 0 443.522 5.392 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008756186 569474087 /nfs/dbraw/zinc/47/40/87/569474087.db2.gz UYDVFCMOTNILOQ-LJQANCHMSA-N 0 0 429.495 5.083 50 0 IKAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccc(F)cc2)sc1Nc1cc(C)ccc1C ZINC000008756733 569474098 /nfs/dbraw/zinc/47/40/98/569474098.db2.gz VKJWWZITRRFILU-UHFFFAOYSA-N 0 0 446.569 5.245 50 0 IKAARN Cc1cccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(C)c(F)c3)c2=O)c1 ZINC000008756933 569474120 /nfs/dbraw/zinc/47/41/20/569474120.db2.gz FFGDXIFQLZLZDZ-UHFFFAOYSA-N 0 0 430.504 5.171 50 0 IKAARN Cc1ccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(C)c(F)c3)c2=O)cc1 ZINC000008756932 569474129 /nfs/dbraw/zinc/47/41/29/569474129.db2.gz YNQAMUTYEKTQBN-UHFFFAOYSA-N 0 0 430.504 5.171 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCC2)Nc2ccccc21 ZINC000008756926 569474138 /nfs/dbraw/zinc/47/41/38/569474138.db2.gz SDFAEURXUUJSEE-UHFFFAOYSA-N 0 0 429.973 5.553 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c(Cl)c1 ZINC000008756979 569474141 /nfs/dbraw/zinc/47/41/41/569474141.db2.gz CUWQHFSPBIBAJO-UHFFFAOYSA-N 0 0 428.001 6.243 50 0 IKAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008758346 569474163 /nfs/dbraw/zinc/47/41/63/569474163.db2.gz QCTJDMJBPGJCMG-FQEVSTJZSA-N 0 0 443.522 5.473 50 0 IKAARN CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000008758199 569474190 /nfs/dbraw/zinc/47/41/90/569474190.db2.gz CPGIKWLVWPCZCN-IBGZPJMESA-N 0 0 443.572 5.358 50 0 IKAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008758386 569474191 /nfs/dbraw/zinc/47/41/91/569474191.db2.gz KLWBNZVCVFNHHL-QHCPKHFHSA-N 0 0 439.559 5.248 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000008758927 569474234 /nfs/dbraw/zinc/47/42/34/569474234.db2.gz TUZMIZJRQJOMIA-GFCCVEGCSA-N 0 0 442.338 5.652 50 0 IKAARN O=C(Nc1nnsc1Sc1ccc(Cl)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000008762038 569474285 /nfs/dbraw/zinc/47/42/85/569474285.db2.gz ZYZKKLQMZPHEQQ-UHFFFAOYSA-N 0 0 445.875 6.110 50 0 IKAARN CCOC(=O)[C@H](Cc1ccc(F)cc1)c1ccnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000008762062 569474303 /nfs/dbraw/zinc/47/43/03/569474303.db2.gz YVIGFYDHUOWPGI-OAHLLOKOSA-N 0 0 441.717 5.861 50 0 IKAARN O=c1c(-c2nnc(SCc3cccc(C(F)(F)F)c3)o2)cccn1Cc1ccccc1 ZINC000008762122 569474313 /nfs/dbraw/zinc/47/43/13/569474313.db2.gz DDGYUCQXVYAMFC-UHFFFAOYSA-N 0 0 443.450 5.258 50 0 IKAARN Brc1ccc(Cn2c3ccccc3c3c2-c2nc4ccccc4cc2CC3)cc1 ZINC000008762618 569474365 /nfs/dbraw/zinc/47/43/65/569474365.db2.gz OKBFQUQISYQGQT-UHFFFAOYSA-N 0 0 439.356 6.766 50 0 IKAARN COc1ccccc1[C@@]1(CCN(Cc2ccccc2)C(=O)c2ccco2)CCOC(C)(C)C1 ZINC000008762583 569474366 /nfs/dbraw/zinc/47/43/66/569474366.db2.gz FNODXOBVXMXNON-NDEPHWFRSA-N 0 0 447.575 5.848 50 0 biogenic IKAARN COc1ccccc1N1C(=O)C(Nc2ccc(F)cc2)=C(Sc2ccc(C)cc2)C1=O ZINC000008763844 569474522 /nfs/dbraw/zinc/47/45/22/569474522.db2.gz CQDUISIRMWXAIN-UHFFFAOYSA-N 0 0 434.492 5.132 50 0 IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc5oc(=O)ccc5c4)c(C)c3cc2c1C ZINC000008765430 569474743 /nfs/dbraw/zinc/47/47/43/569474743.db2.gz BZPUHFMOKXDWRC-UHFFFAOYSA-N 0 0 443.455 5.142 50 0 biogenic IKAARN C[C@H]1CCc2c3cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc4c3oc2C1 ZINC000008765742 569474770 /nfs/dbraw/zinc/47/47/70/569474770.db2.gz BSZQPAYTTZRKDN-AWEZNQCLSA-N 0 0 425.937 6.165 50 0 IKAARN Cc1ccccc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@@H](C(C)(C)C)C3 ZINC000008765747 569474818 /nfs/dbraw/zinc/47/48/18/569474818.db2.gz DGHYPXGPGFJVLX-GOSISDBHSA-N 0 0 447.600 6.846 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c(Br)c2)cc1 ZINC000008765701 569474833 /nfs/dbraw/zinc/47/48/33/569474833.db2.gz ALFBBPQFQKCZEB-UHFFFAOYSA-N 0 0 436.327 5.070 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000008766677 569474842 /nfs/dbraw/zinc/47/48/42/569474842.db2.gz QPVUHUKRCMCWQS-UHFFFAOYSA-N 0 0 446.315 5.023 50 0 IKAARN Fc1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)cc1 ZINC000008766720 569474883 /nfs/dbraw/zinc/47/48/83/569474883.db2.gz CJLUCNHEDQSJNW-QHCPKHFHSA-N 0 0 444.469 6.370 50 0 IKAARN Fc1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1 ZINC000008766717 569474901 /nfs/dbraw/zinc/47/49/01/569474901.db2.gz CJLUCNHEDQSJNW-HSZRJFAPSA-N 0 0 444.469 6.370 50 0 IKAARN CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000008768854 569474995 /nfs/dbraw/zinc/47/49/95/569474995.db2.gz JFRRRFNUWOMVBO-UHFFFAOYSA-N 0 0 437.352 6.335 50 0 IKAARN COc1cccc2c(NC(=O)c3ccccc3Cl)c(C(=O)c3ccc(Cl)cc3)oc21 ZINC000008769057 569475017 /nfs/dbraw/zinc/47/50/17/569475017.db2.gz ZYBHBBQKFVFIDH-UHFFFAOYSA-N 0 0 440.282 6.232 50 0 IKAARN COc1ccc(CCn2c(-c3ccc(F)cc3)cs/c2=N\c2ccccc2)cc1OC ZINC000008770365 569475143 /nfs/dbraw/zinc/47/51/43/569475143.db2.gz YZRPBCXLXWLQQA-RFBIWTDZSA-N 0 0 434.536 5.848 50 0 IKAARN Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000008772024 569475221 /nfs/dbraw/zinc/47/52/21/569475221.db2.gz ZFALPIGFDANSJO-UHFFFAOYSA-N 0 0 449.363 5.375 50 0 IKAARN Cn1cc(/C=C2\N=C(c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 ZINC000008771504 569475237 /nfs/dbraw/zinc/47/52/37/569475237.db2.gz BOESOEVHQCJMMS-ONUIUJJFSA-N 0 0 444.538 5.532 50 0 IKAARN O=C(C[C@H](Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1)c1ccc(Cl)cc1 ZINC000008773287 569475281 /nfs/dbraw/zinc/47/52/81/569475281.db2.gz OIJFWJJREGHXNP-SANMLTNESA-N 0 0 437.926 6.978 50 0 IKAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2ccccc2c1 ZINC000008772248 569475285 /nfs/dbraw/zinc/47/52/85/569475285.db2.gz NJJDBCGAWXCDKW-HNNXBMFYSA-N 0 0 434.590 5.538 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008776077 569475357 /nfs/dbraw/zinc/47/53/57/569475357.db2.gz XVADSWGAWXLQRM-FQEVSTJZSA-N 0 0 444.604 5.438 50 0 IKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000008779010 569475554 /nfs/dbraw/zinc/47/55/54/569475554.db2.gz RVSLUNJWWSYSIZ-UHFFFAOYSA-N 0 0 434.967 6.645 50 0 IKAARN Cc1ccc(Cn2c(-c3ccccc3)cc(C)c(S(=O)(=O)c3cccc(C)c3)c2=O)cc1 ZINC000008781465 569475635 /nfs/dbraw/zinc/47/56/35/569475635.db2.gz BDFUHGXFSMORQF-UHFFFAOYSA-N 0 0 443.568 5.322 50 0 IKAARN O=[S@@](Cc1cc(NCc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000008781516 569475657 /nfs/dbraw/zinc/47/56/57/569475657.db2.gz GZXCRHJFLPJMTC-SSEXGKCCSA-N 0 0 433.964 5.717 50 0 IKAARN COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000008781785 569475681 /nfs/dbraw/zinc/47/56/81/569475681.db2.gz YLLCJMYIQKGMHE-YIXHJXPBSA-N 0 0 428.315 6.233 50 0 IKAARN CC(C)(C)c1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2-c2cccnc2Cl)cc1 ZINC000008781678 569475685 /nfs/dbraw/zinc/47/56/85/569475685.db2.gz GXKKMJISLDTWIZ-UHFFFAOYSA-N 0 0 444.793 7.404 50 0 IKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2c(s1)-c1ccccc1CC2 ZINC000008781769 569475696 /nfs/dbraw/zinc/47/56/96/569475696.db2.gz WPWVXLQIDMEKGM-UHFFFAOYSA-N 0 0 438.021 6.738 50 0 IKAARN CC(C)(C)c1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2-c2ccc[nH]c2=O)cc1 ZINC000008781958 569475704 /nfs/dbraw/zinc/47/57/04/569475704.db2.gz WTAXLDORDCGBQH-UHFFFAOYSA-N 0 0 426.347 6.044 50 0 IKAARN Fc1ccc(Oc2ccccc2CNc2ccc(I)cc2)cc1F ZINC000008781749 569475730 /nfs/dbraw/zinc/47/57/30/569475730.db2.gz RNUFXIVMDLAIMU-UHFFFAOYSA-N 0 0 437.227 5.974 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2Sc2ccc(Cl)cc2)cc1 ZINC000008782176 569475796 /nfs/dbraw/zinc/47/57/96/569475796.db2.gz YBTYGAXQSDGCTQ-UHFFFAOYSA-N 0 0 444.408 7.944 50 0 IKAARN CSc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000008783297 569475830 /nfs/dbraw/zinc/47/58/30/569475830.db2.gz CREGVZDDKSROLD-DEOSSOPVSA-N 0 0 438.036 7.786 50 0 IKAARN CCc1ccc([C@@H]2CN3C(=O)N(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008788784 569475871 /nfs/dbraw/zinc/47/58/71/569475871.db2.gz OMRMWCXKBAFXLH-IADCTJSHSA-N 0 0 449.554 5.555 50 0 biogenic IKAARN Cc1nc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)sc1C ZINC000008788228 569475896 /nfs/dbraw/zinc/47/58/96/569475896.db2.gz ZAVWPEZZPCKPGM-UHFFFAOYSA-N 0 0 435.578 5.047 50 0 IKAARN COc1ccccc1[C@@H]1CN2C(=O)N(c3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789755 569475925 /nfs/dbraw/zinc/47/59/25/569475925.db2.gz ZEMSPDMNSIAWTF-DCFHFQCYSA-N 0 0 437.499 5.006 50 0 biogenic IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@H]21 ZINC000008789919 569475989 /nfs/dbraw/zinc/47/59/89/569475989.db2.gz AJRXQQMYPFLZEZ-XDHUDOTRSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN COc1ccccc1[C@H]1CN2C(=O)N(c3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789757 569476016 /nfs/dbraw/zinc/47/60/16/569476016.db2.gz ZEMSPDMNSIAWTF-HRFSGMKKSA-N 0 0 437.499 5.006 50 0 biogenic IKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccccc1C(F)(F)F ZINC000008791315 569476238 /nfs/dbraw/zinc/47/62/38/569476238.db2.gz FWAVALAUKHZJFA-UHFFFAOYSA-N 0 0 428.233 5.239 50 0 IKAARN CSc1ccccc1Sc1cc(C(=O)NCCc2ccccc2)c2ccccc2n1 ZINC000008813057 569476646 /nfs/dbraw/zinc/47/66/46/569476646.db2.gz YFXMNLGNOWRBSJ-UHFFFAOYSA-N 0 0 430.598 6.080 50 0 IKAARN CSc1ccccc1Sc1cc(C(=O)NCc2ccc(F)cc2)c2ccccc2n1 ZINC000008813054 569476690 /nfs/dbraw/zinc/47/66/90/569476690.db2.gz BDCNJJPDLGCVDM-UHFFFAOYSA-N 0 0 434.561 6.177 50 0 IKAARN Cc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008813665 569476704 /nfs/dbraw/zinc/47/67/04/569476704.db2.gz KWTWXFDFZKPWAC-QGOAFFKASA-N 0 0 430.573 6.050 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008819028 569477018 /nfs/dbraw/zinc/47/70/18/569477018.db2.gz MOAFHGFXRYBIGQ-UHFFFAOYSA-N 0 0 431.300 6.278 50 0 IKAARN O=C1CCCC[C@@H]1Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1 ZINC000008825140 569477337 /nfs/dbraw/zinc/47/73/37/569477337.db2.gz UIKFDZSADIUIHQ-NRFANRHFSA-N 0 0 435.936 6.209 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000008825695 569477440 /nfs/dbraw/zinc/47/74/40/569477440.db2.gz NKWBWVSYMOZQIA-HXUWFJFHSA-N 0 0 436.836 5.968 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Br)c1)N(c1ccccn1)C3=O ZINC000008827478 569477637 /nfs/dbraw/zinc/47/76/37/569477637.db2.gz QKBQJRZVIIVBIH-HXUWFJFHSA-N 0 0 447.288 5.009 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000008828150 569477760 /nfs/dbraw/zinc/47/77/60/569477760.db2.gz KZEYDMUPSFSTFZ-FQEVSTJZSA-N 0 0 441.531 5.035 50 0 IKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)c1 ZINC000008828159 569477769 /nfs/dbraw/zinc/47/77/69/569477769.db2.gz QZUKJRQITFRACY-HSZRJFAPSA-N 0 0 431.539 6.067 50 0 IKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000008828210 569477802 /nfs/dbraw/zinc/47/78/02/569477802.db2.gz YKCHLDUCMFSSJT-OAQYLSRUSA-N 0 0 425.532 5.334 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 ZINC000008828196 569477803 /nfs/dbraw/zinc/47/78/03/569477803.db2.gz WSEWJMGWRSOPJD-INIZCTEOSA-N 0 0 449.913 5.406 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000008828278 569477816 /nfs/dbraw/zinc/47/78/16/569477816.db2.gz UZEIDXGFGJBQJE-IBGZPJMESA-N 0 0 449.476 5.932 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000008828294 569477837 /nfs/dbraw/zinc/47/78/37/569477837.db2.gz GQKFENQCMSOLDE-FQEVSTJZSA-N 0 0 443.522 5.473 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1Cc1ccccc1 ZINC000008828303 569477845 /nfs/dbraw/zinc/47/78/45/569477845.db2.gz GCNBISXIMSBSPE-HXUWFJFHSA-N 0 0 445.950 5.285 50 0 IKAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000008835984 569477932 /nfs/dbraw/zinc/47/79/32/569477932.db2.gz PVVYUJRRVSOWCL-UHFFFAOYSA-N 0 0 443.526 5.126 50 0 IKAARN Cc1cccc(-c2c(NC(=O)c3ccc(Br)cc3)oc3c(C)cccc3c2=O)c1 ZINC000008836279 569478008 /nfs/dbraw/zinc/47/80/08/569478008.db2.gz WUOCNWXUGAZVFQ-UHFFFAOYSA-N 0 0 448.316 6.092 50 0 IKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000008836036 569478037 /nfs/dbraw/zinc/47/80/37/569478037.db2.gz UFHHJUYDSWAKDC-OXQOHEQNSA-N 0 0 445.415 6.868 50 0 IKAARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccccc2)c1C(=O)Nc1ccc(C)cc1 ZINC000008836345 569478040 /nfs/dbraw/zinc/47/80/40/569478040.db2.gz YIDQCCZPCFQJOE-UHFFFAOYSA-N 0 0 437.543 5.966 50 0 IKAARN CCc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(OC)cc2)cc1 ZINC000008836337 569478051 /nfs/dbraw/zinc/47/80/51/569478051.db2.gz ZTNFWFTYXVYMPT-UHFFFAOYSA-N 0 0 439.515 5.031 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000008836717 569478189 /nfs/dbraw/zinc/47/81/89/569478189.db2.gz LXXJZTMDCOKJQF-AHWVRZQESA-N 0 0 432.951 6.761 50 0 IKAARN CCOc1cc(-c2cccs2)c/c(=N\c2cc(OC)cc(OC)c2)c2c(C)oc(C)c21 ZINC000008837478 569478204 /nfs/dbraw/zinc/47/82/04/569478204.db2.gz MVHLRCHTOFPIIC-YYADALCUSA-N 0 0 435.545 6.426 50 0 biogenic IKAARN CN(c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000008838167 569478218 /nfs/dbraw/zinc/47/82/18/569478218.db2.gz HWJCIWCLDIZRDL-DQEYMECFSA-N 0 0 448.975 5.704 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000008837572 569478241 /nfs/dbraw/zinc/47/82/41/569478241.db2.gz PZZQAYBEEYXVLQ-JXFKEZNVSA-N 0 0 433.371 5.339 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000008840674 569478423 /nfs/dbraw/zinc/47/84/23/569478423.db2.gz ZPLNKZDNOBGKAQ-UHFFFAOYSA-N 0 0 434.561 5.090 50 0 IKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(C)cc1C(C)(C)C ZINC000008844216 569478619 /nfs/dbraw/zinc/47/86/19/569478619.db2.gz MJMLLXMRCLDLJR-UHFFFAOYSA-N 0 0 443.590 5.887 50 0 IKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3cccnc3)o2)cc1 ZINC000008844593 569478647 /nfs/dbraw/zinc/47/86/47/569478647.db2.gz DXDGEBGEEDSLAE-UHFFFAOYSA-N 0 0 439.924 5.143 50 0 IKAARN COc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(F)cc4)cs3)c3ccccn32)cc1 ZINC000008844888 569478662 /nfs/dbraw/zinc/47/86/62/569478662.db2.gz GPVFGBVRXJYEOJ-UHFFFAOYSA-N 0 0 443.503 5.691 50 0 IKAARN CCCCOc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845301 569478883 /nfs/dbraw/zinc/47/88/83/569478883.db2.gz FOJNJWPQEHICKP-VWLOTQADSA-N 0 0 443.503 5.300 50 0 IKAARN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(CCc2ccccc2)C3=O)c(O)c1 ZINC000008845788 569478918 /nfs/dbraw/zinc/47/89/18/569478918.db2.gz DKMXAEKADVDUSG-RUZDIDTESA-N 0 0 443.934 5.532 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O ZINC000008845967 569478927 /nfs/dbraw/zinc/47/89/27/569478927.db2.gz JPNIKOIXWQKTHA-NRFANRHFSA-N 0 0 434.854 5.034 50 0 IKAARN Cc1cc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2c2ccccc12 ZINC000008845904 569478952 /nfs/dbraw/zinc/47/89/52/569478952.db2.gz NTXUHLUHSJSPQM-UHFFFAOYSA-N 0 0 431.546 5.045 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000008846085 569478983 /nfs/dbraw/zinc/47/89/83/569478983.db2.gz SSVHMPKKCWBHOI-XMMPIXPASA-N 0 0 440.499 5.425 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000008846086 569478989 /nfs/dbraw/zinc/47/89/89/569478989.db2.gz SSVHMPKKCWBHOI-DEOSSOPVSA-N 0 0 440.499 5.425 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1F)N(Cc1cccnc1)C3=O ZINC000008846005 569478998 /nfs/dbraw/zinc/47/89/98/569478998.db2.gz BJMYMQIGPPBTKL-NRFANRHFSA-N 0 0 434.854 5.034 50 0 IKAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008848063 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CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)C12CC3CC(CC(C3)C1)C2 ZINC000008856130 569479717 /nfs/dbraw/zinc/47/97/17/569479717.db2.gz RYMXZBIYXVRKNB-UTNBAMHJSA-N 0 0 432.413 5.275 50 0 IKAARN CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)C12CC3CC(CC(C3)C1)C2 ZINC000008856131 569479744 /nfs/dbraw/zinc/47/97/44/569479744.db2.gz RYMXZBIYXVRKNB-ANCGMVAHSA-N 0 0 432.413 5.275 50 0 IKAARN CCN(CC)C(=O)[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)c1ccccc1 ZINC000008856000 569479747 /nfs/dbraw/zinc/47/97/47/569479747.db2.gz VWHUNWXNMZADLO-IBGZPJMESA-N 0 0 443.638 5.358 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(C)nc3sc(C)c(C)c32)cs1)c1ccccc1 ZINC000008861071 569479916 /nfs/dbraw/zinc/47/99/16/569479916.db2.gz RJDRQIAMTLYMAO-UHFFFAOYSA-N 0 0 440.619 6.050 50 0 IKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000008860258 569479957 /nfs/dbraw/zinc/47/99/57/569479957.db2.gz HTOGRFXRJIVNRB-UHFFFAOYSA-N 0 0 439.386 7.268 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000008861749 569480018 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CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000008868723 569480394 /nfs/dbraw/zinc/48/03/94/569480394.db2.gz BVIIFFXUYORJFK-HSZRJFAPSA-N 0 0 429.472 5.229 50 0 IKAARN O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000008869939 569480478 /nfs/dbraw/zinc/48/04/78/569480478.db2.gz PUJIEUPROGCANC-QGZVFWFLSA-N 0 0 443.168 5.577 50 0 IKAARN CC(C)(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869664 569480479 /nfs/dbraw/zinc/48/04/79/569480479.db2.gz RSYLKIYELFFQKX-HSZRJFAPSA-N 0 0 441.637 5.111 50 0 IKAARN CCCCC1CCC(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000008869839 569480500 /nfs/dbraw/zinc/48/05/00/569480500.db2.gz PAHRSXSFUWTVSY-LLAFXHEGSA-N 0 0 447.685 5.496 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4coc5c4ccc(C)c5C)cc3)sc2c1 ZINC000008869891 569480504 /nfs/dbraw/zinc/48/05/04/569480504.db2.gz YWNVMTIVYNMATK-UHFFFAOYSA-N 0 0 426.541 6.816 50 0 IKAARN Cc1oc2cc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)C ZINC000008870347 569480530 /nfs/dbraw/zinc/48/05/30/569480530.db2.gz PEVBRNHOYNKRBC-UHFFFAOYSA-N 0 0 443.565 5.713 50 0 IKAARN Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)(C)C ZINC000008870415 569480610 /nfs/dbraw/zinc/48/06/10/569480610.db2.gz NUUSTRVBXPMOHL-UHFFFAOYSA-N 0 0 443.565 5.795 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)CCCC(C)C)c3nc4ccccc4nc32)cc1C ZINC000008871081 569480682 /nfs/dbraw/zinc/48/06/82/569480682.db2.gz KWYLJQDOWQMAHD-LJQANCHMSA-N 0 0 443.595 5.717 50 0 IKAARN CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000008871078 569480726 /nfs/dbraw/zinc/48/07/26/569480726.db2.gz OTOFQXHBCSFACT-MRXNPFEDSA-N 0 0 449.986 5.754 50 0 IKAARN CC(C)CCC[C@H](C)NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 ZINC000008871073 569480732 /nfs/dbraw/zinc/48/07/32/569480732.db2.gz XSAFZFDQIFMMGQ-IBGZPJMESA-N 0 0 443.595 5.354 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 ZINC000008871452 569480799 /nfs/dbraw/zinc/48/07/99/569480799.db2.gz 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Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(-c2ccccc2)cc1 ZINC000008872894 569481029 /nfs/dbraw/zinc/48/10/29/569481029.db2.gz FYJAEEXFDRHQBK-UHFFFAOYSA-N 0 0 449.373 6.800 50 0 IKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2cc(C)ccc2C)nn1 ZINC000008875941 569481052 /nfs/dbraw/zinc/48/10/52/569481052.db2.gz XDPLCRZMDSDRSE-UHFFFAOYSA-N 0 0 447.589 5.318 50 0 IKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2cc(C)cc(C)c2)nn1 ZINC000008875940 569481080 /nfs/dbraw/zinc/48/10/80/569481080.db2.gz RIZCLPVHUQDVTR-UHFFFAOYSA-N 0 0 447.589 5.318 50 0 IKAARN O=C(NCCc1nnc2ccccn21)c1oc2ccccc2c1CSC1CCCCC1 ZINC000008877601 569481214 /nfs/dbraw/zinc/48/12/14/569481214.db2.gz ADZNEKKMHRSFGK-UHFFFAOYSA-N 0 0 434.565 5.014 50 0 IKAARN COCCN1C(=O)CS[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000008879374 569481391 /nfs/dbraw/zinc/48/13/91/569481391.db2.gz MQGHACCRZXCAHS-SANMLTNESA-N 0 0 449.572 5.065 50 0 IKAARN O=S(=O)(c1nc(-c2cccs2)oc1NCc1ccccc1Cl)c1ccccc1 ZINC000039404196 569481558 /nfs/dbraw/zinc/48/15/58/569481558.db2.gz 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O=C(CCCc1c[nH]c2ccccc12)OCc1nnc(-c2ccccc2Br)o1 ZINC000008883870 569483035 /nfs/dbraw/zinc/48/30/35/569483035.db2.gz SJWDBITZRSJYMV-UHFFFAOYSA-N 0 0 440.297 5.047 50 0 IKAARN CC[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Br)cc1 ZINC000040032370 569483115 /nfs/dbraw/zinc/48/31/15/569483115.db2.gz ZLDVPMUTHZSHJV-QGZVFWFLSA-N 0 0 449.295 5.582 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c(C)n1C1CC1 ZINC000008887729 569483221 /nfs/dbraw/zinc/48/32/21/569483221.db2.gz IGQQOBMBDOMQHO-ZHRRBRCNSA-N 0 0 449.624 5.820 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000040040324 569483450 /nfs/dbraw/zinc/48/34/50/569483450.db2.gz HFZKEQWOIGPSBO-FQEVSTJZSA-N 0 0 449.284 5.251 50 0 IKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000040040832 569483504 /nfs/dbraw/zinc/48/35/04/569483504.db2.gz RWRQZHGKBIKOOR-KRWDZBQOSA-N 0 0 438.911 5.525 50 0 IKAARN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C(C)C ZINC000040040609 569483507 /nfs/dbraw/zinc/48/35/07/569483507.db2.gz SDLZSMVNBZCANG-HSZRJFAPSA-N 0 0 444.535 5.032 50 0 IKAARN Cc1noc(CSc2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)cc2)n1 ZINC000040042994 569483591 /nfs/dbraw/zinc/48/35/91/569483591.db2.gz BBWDJYNESIGFKM-UHFFFAOYSA-N 0 0 425.844 5.177 50 0 IKAARN C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008893153 569483593 /nfs/dbraw/zinc/48/35/93/569483593.db2.gz YQTIGOLFDKSZJK-KRWDZBQOSA-N 0 0 441.560 5.461 50 0 IKAARN Cc1csc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 ZINC000008894973 569483684 /nfs/dbraw/zinc/48/36/84/569483684.db2.gz PDISZDMWAJNWDT-CXAGYDPISA-N 0 0 431.970 5.556 50 0 IKAARN Cc1csc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 ZINC000008894950 569483703 /nfs/dbraw/zinc/48/37/03/569483703.db2.gz PDISZDMWAJNWDT-GUYCJALGSA-N 0 0 431.970 5.556 50 0 IKAARN Cc1sc2[nH]c(SCC(=O)Nc3cc(C)cc(C)c3)nc(=O)c2c1-c1ccccc1 ZINC000008897048 569483911 /nfs/dbraw/zinc/48/39/11/569483911.db2.gz UPVOLHIETPMJNI-UHFFFAOYSA-N 0 0 435.574 5.308 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)CCCC2 ZINC000008898822 569484014 /nfs/dbraw/zinc/48/40/14/569484014.db2.gz HFWBCQIBILAADQ-AWEZNQCLSA-N 0 0 427.957 5.238 50 0 IKAARN Clc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3C3CCCCC3)n2)cc1 ZINC000008900620 569484113 /nfs/dbraw/zinc/48/41/13/569484113.db2.gz INADQIHSMIAANL-UHFFFAOYSA-N 0 0 441.944 6.039 50 0 IKAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc2ncsc2c1 ZINC000040050331 569484222 /nfs/dbraw/zinc/48/42/22/569484222.db2.gz FDTYDSUGHAMKSA-UHFFFAOYSA-N 0 0 441.556 5.016 50 0 IKAARN CCCOc1ccc(NC(=O)Nc2ccc(OCCC)c(OCCC)c2)cc1OCCC ZINC000040050761 569484231 /nfs/dbraw/zinc/48/42/31/569484231.db2.gz QFFMXOGBAGKBGV-UHFFFAOYSA-N 0 0 444.572 6.486 50 0 IKAARN Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@H]2CCCO2)cc1 ZINC000008901731 569484320 /nfs/dbraw/zinc/48/43/20/569484320.db2.gz OLNSYDRUYBXUPM-MRXNPFEDSA-N 0 0 442.997 5.680 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CC3)n2-c2ccccc2)cs1)c1ccccc1 ZINC000008902124 569484410 /nfs/dbraw/zinc/48/44/10/569484410.db2.gz QWCIVRILHCUYPZ-UHFFFAOYSA-N 0 0 447.589 5.578 50 0 IKAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000008902901 569484439 /nfs/dbraw/zinc/48/44/39/569484439.db2.gz XJGJZOYIHBFPKP-UHFFFAOYSA-N 0 0 445.935 5.353 50 0 IKAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2SC(F)F)CSC3)cc1 ZINC000008909773 569484716 /nfs/dbraw/zinc/48/47/16/569484716.db2.gz PQDNSZIHTDEYTR-UHFFFAOYSA-N 0 0 433.505 5.195 50 0 IKAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc2cc(F)ccc2[nH]1 ZINC000040059524 569484749 /nfs/dbraw/zinc/48/47/49/569484749.db2.gz YYYDHPLICCQFGB-UHFFFAOYSA-N 0 0 441.506 5.026 50 0 IKAARN CC(C)c1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccncc3)CC2)c2cccs2)cc1 ZINC000040059602 569484763 /nfs/dbraw/zinc/48/47/63/569484763.db2.gz LWRMKEHSHASRSK-DEOSSOPVSA-N 0 0 447.604 5.025 50 0 IKAARN CC(C)c1ccc([C@@H](NC(=O)C2CCN(C(=O)c3ccncc3)CC2)c2cccs2)cc1 ZINC000040059603 569484771 /nfs/dbraw/zinc/48/47/71/569484771.db2.gz LWRMKEHSHASRSK-XMMPIXPASA-N 0 0 447.604 5.025 50 0 IKAARN CCN(C(=O)c1ccc(OCc2csc(C)n2)c(OC)c1)c1nc2ccccc2s1 ZINC000040060267 569484851 /nfs/dbraw/zinc/48/48/51/569484851.db2.gz SFJFGWMGQRIFIN-UHFFFAOYSA-N 0 0 439.562 5.316 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008911534 569484862 /nfs/dbraw/zinc/48/48/62/569484862.db2.gz JOAFBIFCIZPAFV-UHFFFAOYSA-N 0 0 427.356 7.187 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(Cl)cc4)cn32)c1 ZINC000008911819 569484915 /nfs/dbraw/zinc/48/49/15/569484915.db2.gz KIVBUCXPBQUHLU-UHFFFAOYSA-N 0 0 431.948 6.108 50 0 IKAARN O=C(NCc1ccccc1F)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn21 ZINC000008911766 569484922 /nfs/dbraw/zinc/48/49/22/569484922.db2.gz FMYVRJFXMALKPG-UHFFFAOYSA-N 0 0 435.911 5.939 50 0 IKAARN COc1cc(OC)c(N(C)C(=O)c2cc3c(s2)-c2ccccc2SC3)cc1Cl ZINC000008912527 569485002 /nfs/dbraw/zinc/48/50/02/569485002.db2.gz MSLCQGZMZYDZQN-UHFFFAOYSA-N 0 0 431.966 5.968 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Br)c1 ZINC000040069412 569485340 /nfs/dbraw/zinc/48/53/40/569485340.db2.gz YPWLTJYKLCRXDW-CYBMUJFWSA-N 0 0 433.733 5.568 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000040068309 569485143 /nfs/dbraw/zinc/48/51/43/569485143.db2.gz QQPQGJFBYZLOIF-VWLOTQADSA-N 0 0 430.479 5.307 50 0 IKAARN Cc1oc(-c2ccccc2F)nc1Cn1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008912994 569485145 /nfs/dbraw/zinc/48/51/45/569485145.db2.gz LMPAADQJSABNQU-UHFFFAOYSA-N 0 0 444.535 6.183 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)c(Cl)c1 ZINC000008913057 569485155 /nfs/dbraw/zinc/48/51/55/569485155.db2.gz YQBUMMPGMUNGEZ-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN CSc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)c1 ZINC000008913056 569485163 /nfs/dbraw/zinc/48/51/63/569485163.db2.gz NMJQABJXWSGTIA-UHFFFAOYSA-N 0 0 438.553 5.223 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008913015 569485177 /nfs/dbraw/zinc/48/51/77/569485177.db2.gz AJAPPWLBEUPRAV-NRFANRHFSA-N 0 0 446.576 5.630 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1ccc(F)cc1)Nc1ccc(Cl)cc1F ZINC000008913081 569485181 /nfs/dbraw/zinc/48/51/81/569485181.db2.gz CNXSNCPUUIQUFF-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1OC)n1c2cnccc2nc1SCc1cccc(C)c1 ZINC000008913016 569485191 /nfs/dbraw/zinc/48/51/91/569485191.db2.gz AJAPPWLBEUPRAV-OAQYLSRUSA-N 0 0 446.576 5.630 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2cnccc2nc1SCc1ccccc1C ZINC000008913196 569485204 /nfs/dbraw/zinc/48/52/04/569485204.db2.gz NNMWOBKRLUGKMD-UHFFFAOYSA-N 0 0 440.572 6.352 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1cc(C)ccc1C ZINC000008913119 569485223 /nfs/dbraw/zinc/48/52/23/569485223.db2.gz RDNBMHUPPBUGOP-JOCHJYFZSA-N 0 0 448.567 6.069 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccccc2C)c(Cl)c1 ZINC000008913206 569485256 /nfs/dbraw/zinc/48/52/56/569485256.db2.gz PDVCLYNXEVWBGC-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000008913318 569485257 /nfs/dbraw/zinc/48/52/57/569485257.db2.gz HAYWCZLIFVYZET-IBGZPJMESA-N 0 0 444.604 5.609 50 0 IKAARN CC[C@@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1c(F)cccc1Cl ZINC000008913264 569485261 /nfs/dbraw/zinc/48/52/61/569485261.db2.gz TWVCXQMGTBJZNV-IBGZPJMESA-N 0 0 446.979 5.526 50 0 IKAARN CCN(C(=O)Cn1c2cnccc2nc1SCc1ccccc1C)c1cccc(C)c1 ZINC000008913207 569485266 /nfs/dbraw/zinc/48/52/66/569485266.db2.gz HVSPMNAWVDJIIN-UHFFFAOYSA-N 0 0 430.577 5.394 50 0 IKAARN CC[C@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1cccc(Cl)c1 ZINC000008913242 569485273 /nfs/dbraw/zinc/48/52/73/569485273.db2.gz CRPLTCBUHUAHRU-LJQANCHMSA-N 0 0 428.989 5.387 50 0 IKAARN CC[C@@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1cccc(Cl)c1 ZINC000008913241 569485289 /nfs/dbraw/zinc/48/52/89/569485289.db2.gz CRPLTCBUHUAHRU-IBGZPJMESA-N 0 0 428.989 5.387 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1C ZINC000008913225 569485291 /nfs/dbraw/zinc/48/52/91/569485291.db2.gz VQBLELZIRDKQBI-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN Cc1cc(C)c(Cn2c3cnccc3nc2SCc2c(F)cccc2Cl)c(C)c1 ZINC000008913257 569485295 /nfs/dbraw/zinc/48/52/95/569485295.db2.gz LUZLBRXVGUQSHX-UHFFFAOYSA-N 0 0 425.960 6.490 50 0 IKAARN O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1)N1CCCC1 ZINC000008913364 569485328 /nfs/dbraw/zinc/48/53/28/569485328.db2.gz HAEKJQWKDRGZMT-UHFFFAOYSA-N 0 0 446.551 5.147 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008913481 569485332 /nfs/dbraw/zinc/48/53/32/569485332.db2.gz LGSAKBOMWCFOQQ-GOSISDBHSA-N 0 0 430.577 5.300 50 0 IKAARN O=C(c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1)N1CCCC1 ZINC000008913508 569485342 /nfs/dbraw/zinc/48/53/42/569485342.db2.gz SBZCAPGVVLSNAX-UHFFFAOYSA-N 0 0 428.561 5.008 50 0 IKAARN O=C(c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1)N1CCCC1 ZINC000008913339 569485354 /nfs/dbraw/zinc/48/53/54/569485354.db2.gz MMMHOGGEJAPIPS-UHFFFAOYSA-N 0 0 446.551 5.147 50 0 IKAARN CCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2cccc(C)c2)cc1 ZINC000008913562 569485365 /nfs/dbraw/zinc/48/53/65/569485365.db2.gz ZARURONTINXZRK-UHFFFAOYSA-N 0 0 430.577 5.220 50 0 IKAARN Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000008913561 569485366 /nfs/dbraw/zinc/48/53/66/569485366.db2.gz FASSHEMKKZDODO-UHFFFAOYSA-N 0 0 430.577 5.219 50 0 IKAARN O=C(c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1)N1CCCC1 ZINC000008913649 569485406 /nfs/dbraw/zinc/48/54/06/569485406.db2.gz CNSHQYKVRWJYOJ-UHFFFAOYSA-N 0 0 446.551 5.147 50 0 IKAARN O=C(Nc1nnc(CSCc2ccc(F)cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008914551 569485456 /nfs/dbraw/zinc/48/54/56/569485456.db2.gz PXOXAYFUJKGLID-UHFFFAOYSA-N 0 0 443.356 6.061 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 ZINC000008915355 569485472 /nfs/dbraw/zinc/48/54/72/569485472.db2.gz APPIZPKNEFIXEZ-UHFFFAOYSA-N 0 0 437.451 5.639 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1Cl ZINC000008915437 569485517 /nfs/dbraw/zinc/48/55/17/569485517.db2.gz BOILMHDEQUUBCA-KRWDZBQOSA-N 0 0 442.770 5.867 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1coc2ccc(OC)cc12 ZINC000008915617 569485548 /nfs/dbraw/zinc/48/55/48/569485548.db2.gz QNOMYIOSHUOZRQ-UHFFFAOYSA-N 0 0 435.501 5.528 50 0 IKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O ZINC000008915724 569485556 /nfs/dbraw/zinc/48/55/56/569485556.db2.gz GIPUBNXTJNSRCD-QHCPKHFHSA-N 0 0 437.587 6.147 50 0 IKAARN Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c(C)c1 ZINC000008915494 569485564 /nfs/dbraw/zinc/48/55/64/569485564.db2.gz HLZBGVVDXILFPU-HXUWFJFHSA-N 0 0 436.379 5.505 50 0 IKAARN COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 ZINC000008915800 569485598 /nfs/dbraw/zinc/48/55/98/569485598.db2.gz IUHJYIBJRAIFPD-SFHVURJKSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 ZINC000008915814 569485642 /nfs/dbraw/zinc/48/56/42/569485642.db2.gz WYDWJMQMFJGKSA-LJQANCHMSA-N 0 0 445.950 5.576 50 0 IKAARN C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CC1 ZINC000040070284 569485662 /nfs/dbraw/zinc/48/56/62/569485662.db2.gz LIQKACFPMKXVLZ-MRXNPFEDSA-N 0 0 443.952 5.273 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1N1CCc2ccccc2C1 ZINC000040071003 569485709 /nfs/dbraw/zinc/48/57/09/569485709.db2.gz VKVLYJOQWVFMPD-HHHXNRCGSA-N 0 0 437.543 5.152 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)c1 ZINC000008916296 569485723 /nfs/dbraw/zinc/48/57/23/569485723.db2.gz CJZMPURLCAVLCW-UHFFFAOYSA-N 0 0 429.929 5.000 50 0 IKAARN Cc1cc2occ(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)c2c(C)c1 ZINC000008916401 569485747 /nfs/dbraw/zinc/48/57/47/569485747.db2.gz KJOFXKVTCNOYPB-UHFFFAOYSA-N 0 0 448.544 5.304 50 0 IKAARN Cc1ccc2c(=O)cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccccc3)oc2c1 ZINC000008916374 569485771 /nfs/dbraw/zinc/48/57/71/569485771.db2.gz CDAJXTUJDZDLOQ-UHFFFAOYSA-N 0 0 438.439 5.352 50 0 IKAARN COc1ccc([C@H](O)Cc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 ZINC000008916522 569485823 /nfs/dbraw/zinc/48/58/23/569485823.db2.gz JMERSEKGZYRQDV-JOCHJYFZSA-N 0 0 437.337 5.132 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1nc(SCc2ccccc2F)ncc1Cl ZINC000008917036 569485935 /nfs/dbraw/zinc/48/59/35/569485935.db2.gz KNCJVNLPNULKFO-UHFFFAOYSA-N 0 0 441.837 5.833 50 0 IKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccccc3OC)c2)cc1 ZINC000008917914 569486128 /nfs/dbraw/zinc/48/61/28/569486128.db2.gz BBJXKPFUBYWUQZ-WEMUOSSPSA-N 0 0 429.516 6.365 50 0 biogenic IKAARN Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(C)s1 ZINC000040074250 569486245 /nfs/dbraw/zinc/48/62/45/569486245.db2.gz UABATSUXJTVQQW-KPZWWZAWSA-N 0 0 427.397 5.304 50 0 IKAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3F)cc(O)c2C(=O)O1 ZINC000008918406 569486285 /nfs/dbraw/zinc/48/62/85/569486285.db2.gz JROWYQRXCGGZRG-KQEHZQRSSA-N 0 0 426.484 5.592 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000008919650 569486389 /nfs/dbraw/zinc/48/63/89/569486389.db2.gz APXHILLUAHEILA-BDYUSTAISA-N 0 0 442.559 6.244 50 0 IKAARN CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O ZINC000008919448 569486391 /nfs/dbraw/zinc/48/63/91/569486391.db2.gz RNLPWUIJJDFBKT-UHFFFAOYSA-N 0 0 443.572 5.205 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2Br)N3)C1 ZINC000008919484 569486429 /nfs/dbraw/zinc/48/64/29/569486429.db2.gz FKNKZPSWMNBJEP-ADLMAVQZSA-N 0 0 449.414 6.186 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000008919347 569486431 /nfs/dbraw/zinc/48/64/31/569486431.db2.gz TUUDUZDTHDPEJZ-UHFFFAOYSA-N 0 0 432.545 6.321 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000008919934 569486454 /nfs/dbraw/zinc/48/64/54/569486454.db2.gz TVOSNIIORABCIE-HJPURHCSSA-N 0 0 434.605 6.880 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000008919930 569486501 /nfs/dbraw/zinc/48/65/01/569486501.db2.gz TVOSNIIORABCIE-MWTRTKDXSA-N 0 0 434.605 6.880 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000008919944 569486507 /nfs/dbraw/zinc/48/65/07/569486507.db2.gz TVOSNIIORABCIE-QMHKHESXSA-N 0 0 434.605 6.880 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 ZINC000008920827 569486557 /nfs/dbraw/zinc/48/65/57/569486557.db2.gz ZFTYTBXTSCPOKI-BLVKFPJESA-N 0 0 434.989 6.086 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3Cl)nc2c1 ZINC000008921272 569486789 /nfs/dbraw/zinc/48/67/89/569486789.db2.gz OIJQQXMMCWROLP-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008921077 569486799 /nfs/dbraw/zinc/48/67/99/569486799.db2.gz WNBNKSQHOKOGKP-UHFFFAOYSA-N 0 0 433.291 5.048 50 0 IKAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000008921747 569486857 /nfs/dbraw/zinc/48/68/57/569486857.db2.gz OWTPWMGPJHCQBY-LJQANCHMSA-N 0 0 441.484 5.091 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2ccccc2c1 ZINC000008921991 569486897 /nfs/dbraw/zinc/48/68/97/569486897.db2.gz JTCQJDQMFBKFGY-MHZLTWQESA-N 0 0 441.914 5.501 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008922518 569486913 /nfs/dbraw/zinc/48/69/13/569486913.db2.gz GGLNYSPAGMWLQF-PMERELPUSA-N 0 0 447.534 5.669 50 0 IKAARN Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)c1C ZINC000008922087 569486917 /nfs/dbraw/zinc/48/69/17/569486917.db2.gz CRCUDJUAFFNHAX-HHHXNRCGSA-N 0 0 447.962 5.581 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000008922567 569486918 /nfs/dbraw/zinc/48/69/18/569486918.db2.gz QGEQBQYHLVNXLD-VUCADHLHSA-N 0 0 449.978 5.250 50 0 IKAARN Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1C ZINC000008922535 569486925 /nfs/dbraw/zinc/48/69/25/569486925.db2.gz UNBGJUKCDQEGHS-HHHXNRCGSA-N 0 0 447.962 5.581 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1C ZINC000008922073 569486928 /nfs/dbraw/zinc/48/69/28/569486928.db2.gz MGUWELGOFQQPJK-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000008922564 569486936 /nfs/dbraw/zinc/48/69/36/569486936.db2.gz QGEQBQYHLVNXLD-JMYRGNFHSA-N 0 0 449.978 5.250 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2c(C)[nH]c3ccccc32)sc2c1CCC2 ZINC000008922783 569486978 /nfs/dbraw/zinc/48/69/78/569486978.db2.gz NPWXOTQMVAHVFL-CYBMUJFWSA-N 0 0 428.579 5.323 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)c(C)c1 ZINC000008923054 569487018 /nfs/dbraw/zinc/48/70/18/569487018.db2.gz YVDLDBCPHDZICR-HHHXNRCGSA-N 0 0 447.962 5.315 50 0 IKAARN O=C(COc1ccc(Cl)cc1)NCCSc1c2ccccc2[nH]c1-c1ccccc1 ZINC000008923857 569487131 /nfs/dbraw/zinc/48/71/31/569487131.db2.gz LHHDSUDKBNPJSG-UHFFFAOYSA-N 0 0 436.964 5.776 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccccc2)CCC(C(C)(C)C)CC1 ZINC000008926007 569487168 /nfs/dbraw/zinc/48/71/68/569487168.db2.gz KWOHMLQWUXFADN-UHFFFAOYSA-N 0 0 432.572 5.899 50 0 IKAARN CC(C)(C)C(=O)NCCSc1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000008924301 569487187 /nfs/dbraw/zinc/48/71/87/569487187.db2.gz HKTJENPPXLYXDH-UHFFFAOYSA-N 0 0 431.399 5.852 50 0 IKAARN CCCCCN1C(=O)N(c2ccc(C)cc2)[C@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000008926378 569487263 /nfs/dbraw/zinc/48/72/63/569487263.db2.gz VIJRBCGJYRUDPI-JOCHJYFZSA-N 0 0 438.572 5.764 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000008926510 569487279 /nfs/dbraw/zinc/48/72/79/569487279.db2.gz QWGGWUXGEGVVQT-UHFFFAOYSA-N 0 0 439.515 6.604 50 0 IKAARN O=C(c1ccccc1)N1[C@@H](c2ccccc2)Oc2c(ccc3cccnc32)[C@H]1c1ccccc1 ZINC000008926428 569487300 /nfs/dbraw/zinc/48/73/00/569487300.db2.gz MQVOWBJKXKHVER-POURPWNDSA-N 0 0 442.518 6.558 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])cc1 ZINC000008932473 569487630 /nfs/dbraw/zinc/48/76/30/569487630.db2.gz OHUWPEQVXCEYPU-UHFFFAOYSA-N 0 0 426.557 5.045 50 0 IKAARN Cc1c(C[NH2+]Cc2ccccc2Br)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932686 569487649 /nfs/dbraw/zinc/48/76/49/569487649.db2.gz AITQJVVFVMMMDF-UHFFFAOYSA-N 0 0 441.369 5.212 50 0 IKAARN Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000008932543 569487674 /nfs/dbraw/zinc/48/76/74/569487674.db2.gz CZUOJOUUMIDIND-HSZRJFAPSA-N 0 0 440.946 5.811 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932671 569487692 /nfs/dbraw/zinc/48/76/92/569487692.db2.gz HLGNOXSCEONFPN-UHFFFAOYSA-N 0 0 443.012 5.559 50 0 IKAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc(OCC)c(OC)c3)c(C(=O)[O-])c2C)cc1 ZINC000008932898 569487728 /nfs/dbraw/zinc/48/77/28/569487728.db2.gz GORBLZWSPLPNPB-UHFFFAOYSA-N 0 0 448.563 5.192 50 0 IKAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc(OC(C)C)cc3)c(C(=O)[O-])c2C)cc1 ZINC000008932910 569487749 /nfs/dbraw/zinc/48/77/49/569487749.db2.gz DVSVKKVIQDZXLA-UHFFFAOYSA-N 0 0 432.564 5.571 50 0 IKAARN CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@H]1N(O)C(=O)Nc1cccc(Cl)c1 ZINC000008934567 569487996 /nfs/dbraw/zinc/48/79/96/569487996.db2.gz YZYJIQBWKOZQNA-INIZCTEOSA-N 0 0 439.965 5.341 50 0 IKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)o3)cs2)cc1 ZINC000008936576 569488012 /nfs/dbraw/zinc/48/80/12/569488012.db2.gz RULQVHGZMHSBIL-UHFFFAOYSA-N 0 0 444.379 6.223 50 0 IKAARN Cc1ccc(C)c(CSc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1 ZINC000008937604 569488177 /nfs/dbraw/zinc/48/81/77/569488177.db2.gz XQDADQZIWDWLEF-UHFFFAOYSA-N 0 0 426.563 5.005 50 0 IKAARN O=C(Cc1csc(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCO2 ZINC000008938718 569488216 /nfs/dbraw/zinc/48/82/16/569488216.db2.gz YJYJIMHPKOPXKX-UHFFFAOYSA-N 0 0 432.954 5.041 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(SCc3cccc(Cl)c3)n2)cc1 ZINC000008939052 569488298 /nfs/dbraw/zinc/48/82/98/569488298.db2.gz OJGIRDCXYIOOSQ-UHFFFAOYSA-N 0 0 431.970 5.228 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1SCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008940071 569488373 /nfs/dbraw/zinc/48/83/73/569488373.db2.gz ZNJRLJLLPYQYKJ-HXUWFJFHSA-N 0 0 448.617 5.555 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2n[nH]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000008941798 569488639 /nfs/dbraw/zinc/48/86/39/569488639.db2.gz RTWVIRYWPWFMOR-IBGZPJMESA-N 0 0 434.546 5.208 50 0 IKAARN O=C(C1=Cc2cc(Cl)ccc2OC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000008943561 569488784 /nfs/dbraw/zinc/48/87/84/569488784.db2.gz BABXTPYGKVETEZ-UHFFFAOYSA-N 0 0 442.302 5.010 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCc3nnc(-c4ccccc4)o3)nc(=O)c12 ZINC000008943387 569488832 /nfs/dbraw/zinc/48/88/32/569488832.db2.gz BDFMNWAQKDLUGC-GFCCVEGCSA-N 0 0 426.567 5.224 50 0 IKAARN Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008943960 569488898 /nfs/dbraw/zinc/48/88/98/569488898.db2.gz SIQQLGBMKRVRRL-UHFFFAOYSA-N 0 0 448.954 5.389 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000040112758 569488939 /nfs/dbraw/zinc/48/89/39/569488939.db2.gz XMARVXHLDCSVNM-OAHLLOKOSA-N 0 0 425.554 5.257 50 0 IKAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000040116112 569489255 /nfs/dbraw/zinc/48/92/55/569489255.db2.gz QIZVNOQZVYZVOE-UHFFFAOYSA-N 0 0 428.467 5.141 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000040119056 569489356 /nfs/dbraw/zinc/48/93/56/569489356.db2.gz OFMQBUOPIWTJOF-KRWDZBQOSA-N 0 0 426.925 5.216 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 ZINC000040119379 569489399 /nfs/dbraw/zinc/48/93/99/569489399.db2.gz YWQNFECAKVFZMO-XMMPIXPASA-N 0 0 441.487 5.200 50 0 IKAARN CC(C)NC(=O)N(C)c1ccc(OC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000040122783 569489641 /nfs/dbraw/zinc/48/96/41/569489641.db2.gz WXDVAMQJPPOUEV-UHFFFAOYSA-N 0 0 446.551 5.050 50 0 IKAARN Cc1cccc(OCCNC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000040123056 569489708 /nfs/dbraw/zinc/48/97/08/569489708.db2.gz UAMGRHTWWOTKCZ-LJQANCHMSA-N 0 0 432.524 5.078 50 0 IKAARN CCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000008951279 569489884 /nfs/dbraw/zinc/48/98/84/569489884.db2.gz GPSCYHFHGOKDGI-UHFFFAOYSA-N 0 0 432.593 6.360 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000008951736 569489929 /nfs/dbraw/zinc/48/99/29/569489929.db2.gz CYWFTJOUFOPMEB-FQEVSTJZSA-N 0 0 449.528 5.248 50 0 IKAARN CCc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000008958969 569490269 /nfs/dbraw/zinc/49/02/69/569490269.db2.gz IYEAKXQRPNVDBK-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000008959039 569490318 /nfs/dbraw/zinc/49/03/18/569490318.db2.gz ADNNGQFEUAYRPO-UHFFFAOYSA-N 0 0 430.932 5.009 50 0 IKAARN COc1cc(CN(C)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1OCc1ccccc1 ZINC000040135230 569490602 /nfs/dbraw/zinc/49/06/02/569490602.db2.gz XZNCPPYKQNCCBY-UHFFFAOYSA-N 0 0 447.579 5.375 50 0 IKAARN CN(C(=O)NCCC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000040135591 569490711 /nfs/dbraw/zinc/49/07/11/569490711.db2.gz NCFDZWFYSGNEAR-NDEPHWFRSA-N 0 0 435.571 6.035 50 0 IKAARN CCOC(=O)C[C@@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000040139322 569490834 /nfs/dbraw/zinc/49/08/34/569490834.db2.gz IEXZYJMPPPXKKR-RXVVDRJESA-N 0 0 442.987 5.116 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1=O ZINC000008961175 569490941 /nfs/dbraw/zinc/49/09/41/569490941.db2.gz RPSBQLSBKKBCHI-UHFFFAOYSA-N 0 0 442.924 5.054 50 0 IKAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2C1=O ZINC000008961176 569491031 /nfs/dbraw/zinc/49/10/31/569491031.db2.gz NWHZFQDXRSJGKI-UHFFFAOYSA-N 0 0 442.924 5.054 50 0 IKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc1O2 ZINC000008961510 569491064 /nfs/dbraw/zinc/49/10/64/569491064.db2.gz RXRMMZNPKJBNCU-UHFFFAOYSA-N 0 0 442.924 5.140 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc(Br)cc5)c4cc32)cc1 ZINC000008964567 569491228 /nfs/dbraw/zinc/49/12/28/569491228.db2.gz NZCXJNRHRYAPCI-UHFFFAOYSA-N 0 0 447.284 6.644 50 0 biogenic IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(c1ccccn1)C3=O ZINC000008964447 569491243 /nfs/dbraw/zinc/49/12/43/569491243.db2.gz LKRSIKMQNSDUCP-FQEVSTJZSA-N 0 0 437.282 5.553 50 0 IKAARN CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCc1cccnc1 ZINC000008964854 569491254 /nfs/dbraw/zinc/49/12/54/569491254.db2.gz VSELIJPMEWRSMX-QERHPYCSSA-N 0 0 428.617 5.131 50 0 biogenic IKAARN CC[C@H](C(=O)Nc1ccc(C)cc1C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965274 569491372 /nfs/dbraw/zinc/49/13/72/569491372.db2.gz ORVGCFYNOAHYAE-HSZRJFAPSA-N 0 0 428.536 5.011 50 0 IKAARN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965284 569491391 /nfs/dbraw/zinc/49/13/91/569491391.db2.gz CKUWFHMPEJPIPW-HSZRJFAPSA-N 0 0 428.536 5.011 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(SC)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965285 569491400 /nfs/dbraw/zinc/49/14/00/569491400.db2.gz YRFDJMQAIGUNEF-QFIPXVFZSA-N 0 0 446.576 5.116 50 0 IKAARN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965271 569491412 /nfs/dbraw/zinc/49/14/12/569491412.db2.gz VQQSYHPWWBUWRJ-QHCPKHFHSA-N 0 0 428.536 5.011 50 0 IKAARN Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccco4)c12)CC/C3=C/c1ccco1 ZINC000008965457 569491450 /nfs/dbraw/zinc/49/14/50/569491450.db2.gz WFUFXXFHWFGPEC-PEZBUJJGSA-N 0 0 438.508 6.449 50 0 IKAARN Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12 ZINC000008965438 569491456 /nfs/dbraw/zinc/49/14/56/569491456.db2.gz AACBYAFCJSZMKF-UHFFFAOYSA-N 0 0 430.529 6.644 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000008965909 569491626 /nfs/dbraw/zinc/49/16/26/569491626.db2.gz KIPSVRAZPQHLLH-AREMUKBSSA-N 0 0 436.515 5.277 50 0 IKAARN COc1ccc(Nc2nc(CSc3nnc(-c4ccccc4OC)o3)cs2)cc1 ZINC000008966160 569491639 /nfs/dbraw/zinc/49/16/39/569491639.db2.gz GQNGCTOYSPUDKH-UHFFFAOYSA-N 0 0 426.523 5.246 50 0 IKAARN CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c21 ZINC000008970184 569492045 /nfs/dbraw/zinc/49/20/45/569492045.db2.gz RPPPXYHBFQRXEY-XAYXJRQQSA-N 0 0 427.500 6.385 50 0 IKAARN CCOC(=O)N1CCC(C(=O)N(Cc2cccc(F)c2)[C@@H](CC)c2ccc(F)cc2)CC1 ZINC000040146392 569492275 /nfs/dbraw/zinc/49/22/75/569492275.db2.gz XGJHTOVAUQVABK-QHCPKHFHSA-N 0 0 444.522 5.313 50 0 IKAARN O=C(CCn1c(=O)sc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008971198 569492703 /nfs/dbraw/zinc/49/27/03/569492703.db2.gz RVKJHDOSOQURTH-UHFFFAOYSA-N 0 0 434.361 5.129 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@@H]2CCCO2)cc1 ZINC000008971090 569492744 /nfs/dbraw/zinc/49/27/44/569492744.db2.gz BMBWFILNKMNTHH-FQEVSTJZSA-N 0 0 444.535 5.088 50 0 IKAARN COc1cccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)c1 ZINC000008973140 569492772 /nfs/dbraw/zinc/49/27/72/569492772.db2.gz SXYJKHDYDCTLEN-HXUWFJFHSA-N 0 0 444.535 5.088 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1 ZINC000008974065 569492855 /nfs/dbraw/zinc/49/28/55/569492855.db2.gz QAKBMIYNPVIGDV-HXUWFJFHSA-N 0 0 437.282 5.240 50 0 IKAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@H](C)Sc4ccc(Cl)cc43)c12 ZINC000040150722 569493250 /nfs/dbraw/zinc/49/32/50/569493250.db2.gz SWOYSRWPPNIAKQ-ZDUSSCGKSA-N 0 0 428.989 5.585 50 0 IKAARN CCN(CC)c1nc2sc(C(=O)Nc3cc(OC)c(OC)cc3Cl)cc2s1 ZINC000040155164 569493905 /nfs/dbraw/zinc/49/39/05/569493905.db2.gz XCMMTHAZHHASEC-UHFFFAOYSA-N 0 0 425.963 5.127 50 0 IKAARN O=C(Nc1ccccc1)[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1 ZINC000040155586 569493984 /nfs/dbraw/zinc/49/39/84/569493984.db2.gz YOCBZRLVVJKWPP-OAQYLSRUSA-N 0 0 425.517 5.250 50 0 IKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(F)c(N(C)C)c(F)c3)cc2)o1 ZINC000040156145 569494042 /nfs/dbraw/zinc/49/40/42/569494042.db2.gz UMQQZVUZNRYYNZ-UHFFFAOYSA-N 0 0 434.446 5.309 50 0 IKAARN CCC(CC)[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1cccs1 ZINC000040157023 569494271 /nfs/dbraw/zinc/49/42/71/569494271.db2.gz QINJBUNPUAYSBH-HSZRJFAPSA-N 0 0 441.618 5.629 50 0 IKAARN O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 ZINC000008981337 569494454 /nfs/dbraw/zinc/49/44/54/569494454.db2.gz LNHZCMQMQGNHPX-SFHVURJKSA-N 0 0 434.403 5.817 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1cccc(C)c1 ZINC000008983371 569494669 /nfs/dbraw/zinc/49/46/69/569494669.db2.gz QOAJPNZCVSGUDC-HMAPJEAMSA-N 0 0 447.918 5.971 50 0 IKAARN C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000040159366 569494731 /nfs/dbraw/zinc/49/47/31/569494731.db2.gz LHQQCGVUOOREHB-MRXNPFEDSA-N 0 0 444.512 5.367 50 0 IKAARN O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000008984473 569494788 /nfs/dbraw/zinc/49/47/88/569494788.db2.gz ZXXATUVQVXOJBR-JNLFVNFDSA-N 0 0 429.470 5.797 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccc(OCc2ccccc2)cc1 ZINC000008986064 569494803 /nfs/dbraw/zinc/49/48/03/569494803.db2.gz BKNWBZBEQTWBCM-LYZGTLIUSA-N 0 0 434.539 6.593 50 0 IKAARN Cc1sc2[nH]c(CSc3nnc(C4CC4)n3C3CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000008988590 569494948 /nfs/dbraw/zinc/49/49/48/569494948.db2.gz TYIWBMOSDHANCG-UHFFFAOYSA-N 0 0 449.605 5.365 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccc(Br)o1 ZINC000040160143 569495065 /nfs/dbraw/zinc/49/50/65/569495065.db2.gz YCRSUSYUNYOQHE-UHFFFAOYSA-N 0 0 442.338 5.778 50 0 IKAARN CNC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 ZINC000040160154 569495083 /nfs/dbraw/zinc/49/50/83/569495083.db2.gz OVBUYCDQFNMAAQ-UHFFFAOYSA-N 0 0 441.556 5.326 50 0 IKAARN CSCC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000040160219 569495091 /nfs/dbraw/zinc/49/50/91/569495091.db2.gz MQONJBBTRMPNOU-XMMPIXPASA-N 0 0 429.589 5.696 50 0 IKAARN CC1(C)CCc2c(cc(OCC(=O)c3ccccc3)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000008991213 569495285 /nfs/dbraw/zinc/49/52/85/569495285.db2.gz MLVRLQIBWUAYDQ-UHFFFAOYSA-N 0 0 440.495 5.825 50 0 biogenic IKAARN Oc1cc(OCc2ccc(F)cc2)ccc1-c1onc(C(F)(F)F)c1-c1ccccc1 ZINC000008995392 569495632 /nfs/dbraw/zinc/49/56/32/569495632.db2.gz CAPSKBHIWFEXKK-UHFFFAOYSA-N 0 0 429.369 6.451 50 0 IKAARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1SCc1ccccc1 ZINC000008995532 569495640 /nfs/dbraw/zinc/49/56/40/569495640.db2.gz PZFLCMMORPJUBZ-UHFFFAOYSA-N 0 0 435.936 5.612 50 0 IKAARN COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 ZINC000008995601 569495705 /nfs/dbraw/zinc/49/57/05/569495705.db2.gz HQQTZUXFDOUEBA-UHFFFAOYSA-N 0 0 429.476 5.120 50 0 IKAARN O=C(Cc1ccccc1)NCCCc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000040208287 569496166 /nfs/dbraw/zinc/49/61/66/569496166.db2.gz PBRPFAHMFICARB-UHFFFAOYSA-N 0 0 433.555 5.529 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000009008126 569496198 /nfs/dbraw/zinc/49/61/98/569496198.db2.gz KAEZAQFUKSATGV-LADGPHEKSA-N 0 0 439.342 6.634 50 0 IKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21 ZINC000009007996 569496220 /nfs/dbraw/zinc/49/62/20/569496220.db2.gz OVLGPJFWFLOUQN-UUOWRZLLSA-N 0 0 444.478 5.125 50 0 IKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cccs1 ZINC000009009451 569496436 /nfs/dbraw/zinc/49/64/36/569496436.db2.gz OHMZFVVOPBYJHC-UHFFFAOYSA-N 0 0 429.910 5.042 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)c(F)c4)sc3n2)cc1OC ZINC000009009976 569496463 /nfs/dbraw/zinc/49/64/63/569496463.db2.gz JAHRLBVQSOCBOI-UHFFFAOYSA-N 0 0 437.496 5.263 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(COc5cccc6ccccc65)nc4c23)C1 ZINC000009011772 569496476 /nfs/dbraw/zinc/49/64/76/569496476.db2.gz QHNLVOFNAKBYJD-QGZVFWFLSA-N 0 0 442.588 6.222 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2)n1 ZINC000009015199 569496683 /nfs/dbraw/zinc/49/66/83/569496683.db2.gz DPMNEGULJGOWCD-UQBPGWFLSA-N 0 0 439.515 5.824 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)C1CCCC1 ZINC000009019437 569496904 /nfs/dbraw/zinc/49/69/04/569496904.db2.gz YXXGIIIVUXNKIL-IOWSJCHKSA-N 0 0 445.606 7.533 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 ZINC000009031512 569497074 /nfs/dbraw/zinc/49/70/74/569497074.db2.gz SZBAWOYCLMZJDQ-MFXVKMIXSA-N 0 0 428.963 6.938 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CN1c1ccccc1 ZINC000040251207 569497085 /nfs/dbraw/zinc/49/70/85/569497085.db2.gz XYDAYOZOEXNMAH-MRXNPFEDSA-N 0 0 436.342 5.912 50 0 IKAARN CCCCc1cc(=O)oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(Cl)cc12 ZINC000009033782 569497155 /nfs/dbraw/zinc/49/71/55/569497155.db2.gz WAUBFKVJIYQEBJ-UHFFFAOYSA-N 0 0 446.883 5.034 50 0 biogenic IKAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 ZINC000009034005 569497202 /nfs/dbraw/zinc/49/72/02/569497202.db2.gz TYUTUABMUHOAQV-KRWDZBQOSA-N 0 0 449.931 5.094 50 0 biogenic IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000009037275 569497299 /nfs/dbraw/zinc/49/72/99/569497299.db2.gz FSYFOBDDJXZSML-UHFFFAOYSA-N 0 0 448.588 5.262 50 0 IKAARN CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000009041992 569497703 /nfs/dbraw/zinc/49/77/03/569497703.db2.gz JXASTVOPELZWBD-AZGAKELHSA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3F)C2)cc1OC ZINC000009044704 569498010 /nfs/dbraw/zinc/49/80/10/569498010.db2.gz WCAQBBZZXCBAQZ-NRFANRHFSA-N 0 0 438.886 5.488 50 0 IKAARN O=C(c1ccc(-c2ccccc2Cl)s1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000040287672 569498253 /nfs/dbraw/zinc/49/82/53/569498253.db2.gz IXPLRNBKKZDUIQ-UHFFFAOYSA-N 0 0 432.372 5.846 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)NCCC4=CCCCC4)ccc3c2=O)cc1 ZINC000009049970 569498587 /nfs/dbraw/zinc/49/85/87/569498587.db2.gz RLOOMABPSPUHLG-UHFFFAOYSA-N 0 0 447.531 5.163 50 0 biogenic IKAARN Cc1oc2cc(OCC(=O)N3CCC(C)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000009049956 569498589 /nfs/dbraw/zinc/49/85/89/569498589.db2.gz YRVYUAIFXYYEIR-UHFFFAOYSA-N 0 0 425.912 5.059 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C1CCCCC1 ZINC000009052193 569498725 /nfs/dbraw/zinc/49/87/25/569498725.db2.gz DXBBBLBKCMUCQC-UHFFFAOYSA-N 0 0 436.581 5.402 50 0 IKAARN O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000009053850 569498846 /nfs/dbraw/zinc/49/88/46/569498846.db2.gz CVVGQEXQACIEIU-QGZVFWFLSA-N 0 0 426.973 5.364 50 0 IKAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000009053637 569498850 /nfs/dbraw/zinc/49/88/50/569498850.db2.gz QFUCAJPXSBZCLS-SFHVURJKSA-N 0 0 444.560 5.151 50 0 IKAARN O=C(CCn1ccc2ccc(OCc3ccccc3)cc21)NCCc1c[nH]c2ccccc12 ZINC000040312980 569498941 /nfs/dbraw/zinc/49/89/41/569498941.db2.gz XROHBBAJVCWPRR-UHFFFAOYSA-N 0 0 437.543 5.451 50 0 biogenic IKAARN Cc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)[nH]c1Cc1ccccc1 ZINC000009056124 569498959 /nfs/dbraw/zinc/49/89/59/569498959.db2.gz ZXXBWALFZGSXTC-UHFFFAOYSA-N 0 0 427.573 5.307 50 0 IKAARN O=C(CCCSc1nnc(-c2cccs2)n1C1CC1)c1ccc(Br)cc1 ZINC000009056275 569498997 /nfs/dbraw/zinc/49/89/97/569498997.db2.gz DVBWJLBKGYQPET-UHFFFAOYSA-N 0 0 448.411 5.859 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1cccs1 ZINC000009056532 569499045 /nfs/dbraw/zinc/49/90/45/569499045.db2.gz CRRZWOWEOJZUNT-UHFFFAOYSA-N 0 0 436.562 5.550 50 0 IKAARN Clc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 ZINC000009056326 569499052 /nfs/dbraw/zinc/49/90/52/569499052.db2.gz URRAMCJNSCPXIF-UHFFFAOYSA-N 0 0 429.958 5.261 50 0 IKAARN CCc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)s1 ZINC000009056691 569499075 /nfs/dbraw/zinc/49/90/75/569499075.db2.gz JCTPYVYEWVRPSL-UHFFFAOYSA-N 0 0 433.986 5.444 50 0 IKAARN CSCC[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000009057703 569499128 /nfs/dbraw/zinc/49/91/28/569499128.db2.gz PNHJBKYKRCQHBJ-GQRCBVMOSA-N 0 0 441.600 5.708 50 0 IKAARN CCc1ccc(-c2nc(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]3C)s2)cc1 ZINC000009059038 569499370 /nfs/dbraw/zinc/49/93/70/569499370.db2.gz GJNDEAYQTWBPKR-MRXNPFEDSA-N 0 0 436.577 5.458 50 0 IKAARN COCCn1c(-c2ccc(Cl)cc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000009060325 569499376 /nfs/dbraw/zinc/49/93/76/569499376.db2.gz GVARTGAGMOZYGD-UHFFFAOYSA-N 0 0 427.935 6.437 50 0 IKAARN Cc1c(C)n(CCCOC(C)C)c(NC(=O)c2ccccc2)c1-c1nc2ccccc2[nH]1 ZINC000009059956 569499397 /nfs/dbraw/zinc/49/93/97/569499397.db2.gz DFHZFSFVMMVJRT-UHFFFAOYSA-N 0 0 430.552 5.716 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2CC(C)C)cc1OC ZINC000009059911 569499421 /nfs/dbraw/zinc/49/94/21/569499421.db2.gz SWTKACRGJQSLGE-UHFFFAOYSA-N 0 0 446.551 5.574 50 0 IKAARN CO[C@@H]1C=C2CC[C@@H]3[C@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000245227313 569499638 /nfs/dbraw/zinc/49/96/38/569499638.db2.gz BNOQCYMVNKKTQV-XTKXXMFCSA-N 0 0 430.658 5.221 50 0 biogenic IKAARN COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009065464 569499656 /nfs/dbraw/zinc/49/96/56/569499656.db2.gz UBZJEEBWQDOGGA-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN O=C(Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1)c1ccccc1 ZINC000009066330 569499888 /nfs/dbraw/zinc/49/98/88/569499888.db2.gz ZEVNTDUUQLSHFN-XTEPFMGCSA-N 0 0 446.506 6.148 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1 ZINC000245228860 569499942 /nfs/dbraw/zinc/49/99/42/569499942.db2.gz HUQRNDUHICMJEI-LNMBMJLDSA-N 0 0 430.529 5.220 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1 ZINC000245228859 569499943 /nfs/dbraw/zinc/49/99/43/569499943.db2.gz HUQRNDUHICMJEI-CXRGAMMBSA-N 0 0 430.529 5.220 50 0 IKAARN Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)c3cccs3)cc2c1 ZINC000009075321 569500144 /nfs/dbraw/zinc/50/01/44/569500144.db2.gz YUIOHYBZNMRMFV-SFHVURJKSA-N 0 0 437.977 6.311 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000009072272 569500180 /nfs/dbraw/zinc/50/01/80/569500180.db2.gz FWOJDRDLPOQCEM-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000009075872 569500220 /nfs/dbraw/zinc/50/02/20/569500220.db2.gz AHVLUGDHJZTANO-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN CCn1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc2ccccc21 ZINC000009075814 569500237 /nfs/dbraw/zinc/50/02/37/569500237.db2.gz QTRKIPBLJOFOED-FOCLMDBBSA-N 0 0 425.919 6.184 50 0 IKAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000009075875 569500243 /nfs/dbraw/zinc/50/02/43/569500243.db2.gz ZGAMXOYAEZLQFZ-UHFFFAOYSA-N 0 0 446.934 5.736 50 0 IKAARN Cc1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2ccccc2n1C ZINC000009076545 569500268 /nfs/dbraw/zinc/50/02/68/569500268.db2.gz VLQYEYDUSZOMOF-FOCLMDBBSA-N 0 0 425.919 6.010 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1C ZINC000009076061 569500274 /nfs/dbraw/zinc/50/02/74/569500274.db2.gz HEVPJVZPURGBGF-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F ZINC000009076235 569500279 /nfs/dbraw/zinc/50/02/79/569500279.db2.gz STGYRQHAKGNANI-FXAWDEMLSA-N 0 0 447.304 6.031 50 0 IKAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000009076248 569500318 /nfs/dbraw/zinc/50/03/18/569500318.db2.gz HTIQYUBJOTWAFZ-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000245232381 569500386 /nfs/dbraw/zinc/50/03/86/569500386.db2.gz USUKRHRKFGRIRR-OPDFLTKYSA-N 0 0 430.858 5.193 50 0 IKAARN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C(=O)Nc1ccc(C)cc1)C1CC1 ZINC000040371755 569500473 /nfs/dbraw/zinc/50/04/73/569500473.db2.gz YCNIQPONRJYBMT-UHFFFAOYSA-N 0 0 447.604 5.590 50 0 IKAARN CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000009085907 569500529 /nfs/dbraw/zinc/50/05/29/569500529.db2.gz IXLFEJRZOYVRRZ-AZGAKELHSA-N 0 0 432.951 6.761 50 0 IKAARN O=c1oc2cc(OCc3ccccc3C(F)(F)F)ccc2cc1-c1ccc2ccccc2n1 ZINC000009086425 569500612 /nfs/dbraw/zinc/50/06/12/569500612.db2.gz XZOIRCAMFYSLMC-UHFFFAOYSA-N 0 0 447.412 6.606 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000245240396 569500624 /nfs/dbraw/zinc/50/06/24/569500624.db2.gz PUIMAPHAOQJZBM-BVFWVQIHSA-N 0 0 449.620 5.058 50 0 IKAARN CCN(CC)C(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000009086461 569500665 /nfs/dbraw/zinc/50/06/65/569500665.db2.gz FRBGWFNUIMAXJQ-UHFFFAOYSA-N 0 0 442.654 5.277 50 0 IKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccc3ncccc3c2)N1 ZINC000009087025 569500758 /nfs/dbraw/zinc/50/07/58/569500758.db2.gz WLALADCLIHXRQS-DEOSSOPVSA-N 0 0 434.524 5.767 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000009087420 569500808 /nfs/dbraw/zinc/50/08/08/569500808.db2.gz BXODJYQDWSDBPX-SBUREZEXSA-N 0 0 442.544 5.379 50 0 IKAARN Cc1nc2[nH]c(SCC(=O)c3ccc(-c4ccccc4)cc3)nc2cc1Br ZINC000009088935 569500903 /nfs/dbraw/zinc/50/09/03/569500903.db2.gz DBUZLPDFJVBUFY-UHFFFAOYSA-N 0 0 438.350 5.671 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000040388863 569500996 /nfs/dbraw/zinc/50/09/96/569500996.db2.gz FVGJUIIRFZEFMN-NRFANRHFSA-N 0 0 448.460 5.557 50 0 IKAARN CC(C)CN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C(C)(C)C ZINC000040388993 569501009 /nfs/dbraw/zinc/50/10/09/569501009.db2.gz LGZITFXVEAILSZ-UHFFFAOYSA-N 0 0 444.019 5.689 50 0 IKAARN C/C=C/Cn1c(-c2c(C)oc3ccccc32)csc1=NS(=O)(=O)c1cccs1 ZINC000245241849 569501128 /nfs/dbraw/zinc/50/11/28/569501128.db2.gz RBAXEYGMYQYUME-XZFMURBMSA-N 0 0 430.576 5.198 50 0 IKAARN CCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc21 ZINC000009096577 569501461 /nfs/dbraw/zinc/50/14/61/569501461.db2.gz HJSPTTZFEPBIHM-QYBDOPJKSA-N 0 0 431.580 5.117 50 0 IKAARN COc1cccc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c1 ZINC000009101207 569501707 /nfs/dbraw/zinc/50/17/07/569501707.db2.gz XSPMNTXUBVCFOL-UHFFFAOYSA-N 0 0 449.457 5.050 50 0 IKAARN Cc1ccccc1NC(=O)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101731 569501764 /nfs/dbraw/zinc/50/17/64/569501764.db2.gz MYFFKSXYDWNEJO-UHFFFAOYSA-N 0 0 433.458 5.349 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000069351529 569501844 /nfs/dbraw/zinc/50/18/44/569501844.db2.gz XYJXKXJWAADCFR-VFNWGFHPSA-N 0 0 448.394 5.377 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@H](C)[C@H]5C)cc4sc3n2)cc1 ZINC000245276291 569501882 /nfs/dbraw/zinc/50/18/82/569501882.db2.gz RSLOJXHNUKSRHP-CSODHUTKSA-N 0 0 431.605 6.333 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NCc1ccccn1 ZINC000009111086 569502274 /nfs/dbraw/zinc/50/22/74/569502274.db2.gz BTIFYEGKKMJXNE-UHFFFAOYSA-N 0 0 443.532 5.358 50 0 IKAARN Cc1nc(-c2ccc(CCNC(=O)c3cc(Br)ccc3Cl)s2)cs1 ZINC000009112140 569502372 /nfs/dbraw/zinc/50/23/72/569502372.db2.gz VBZNHSPODWEBPR-UHFFFAOYSA-N 0 0 441.803 5.568 50 0 IKAARN CC(=O)Oc1cc2c(cc1Br)[C@@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@H]3[C@@H]1CC2 ZINC000245297264 569502428 /nfs/dbraw/zinc/50/24/28/569502428.db2.gz SJEALCGIPRMQHF-DLLFZYMQSA-N 0 0 435.358 5.162 50 0 biogenic IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000245296009 569502460 /nfs/dbraw/zinc/50/24/60/569502460.db2.gz IZPFMOVSUDCCJC-YMBFOOCDSA-N 0 0 448.632 5.670 50 0 IKAARN CCCCCN(CCCCC)c1nc(CC(=O)c2ccccc2)nc(Nc2ccccc2)n1 ZINC000009113252 569502478 /nfs/dbraw/zinc/50/24/78/569502478.db2.gz VPFWZAUSXSCUTH-UHFFFAOYSA-N 0 0 445.611 6.227 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 ZINC000009114023 569502601 /nfs/dbraw/zinc/50/26/01/569502601.db2.gz GWSQTMKXKRNSQO-OFVILXPXSA-N 0 0 431.536 5.064 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccc(C)cc2)c1C(=O)[O-] ZINC000009114835 569502603 /nfs/dbraw/zinc/50/26/03/569502603.db2.gz QJHGKVBMWWLWIC-UHFFFAOYSA-N 0 0 442.559 5.693 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009114863 569502608 /nfs/dbraw/zinc/50/26/08/569502608.db2.gz XRCDLZQWGNKEHI-UHFFFAOYSA-N 0 0 446.522 5.524 50 0 IKAARN Cc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009114851 569502618 /nfs/dbraw/zinc/50/26/18/569502618.db2.gz PTXILSPRDLXBRK-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009114862 569502630 /nfs/dbraw/zinc/50/26/30/569502630.db2.gz NWLIAXWCINAIPG-UHFFFAOYSA-N 0 0 430.523 5.688 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Br)cc2F)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000009114871 569502645 /nfs/dbraw/zinc/50/26/45/569502645.db2.gz NBQVWLAVOFZTIG-UHFFFAOYSA-N 0 0 446.272 5.639 50 0 IKAARN Cc1ccc2c(C[NH2+]CCc3ccccc3C)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009114864 569502658 /nfs/dbraw/zinc/50/26/58/569502658.db2.gz XMSFHKMOHSDQAA-UHFFFAOYSA-N 0 0 430.523 5.476 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)c(C)c1 ZINC000009114873 569502659 /nfs/dbraw/zinc/50/26/59/569502659.db2.gz XMHAGWILBIZDQF-UHFFFAOYSA-N 0 0 434.536 5.892 50 0 IKAARN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCCCc1ccccc1 ZINC000009116032 569502868 /nfs/dbraw/zinc/50/28/68/569502868.db2.gz QADYUHGHSRJUFA-UHFFFAOYSA-N 0 0 430.979 6.025 50 0 IKAARN COc1cccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2OC)CCCC4)c1 ZINC000009115982 569502886 /nfs/dbraw/zinc/50/28/86/569502886.db2.gz IPOHDUWZJITTIG-XMMPIXPASA-N 0 0 448.588 5.824 50 0 IKAARN Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3)c1C2 ZINC000009116142 569502929 /nfs/dbraw/zinc/50/29/29/569502929.db2.gz UWHLCEYFMWJKLM-UHFFFAOYSA-N 0 0 427.529 5.328 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2cccc(C)c2)nn1 ZINC000009116613 569502980 /nfs/dbraw/zinc/50/29/80/569502980.db2.gz UKHOURDJZDLSIK-UHFFFAOYSA-N 0 0 432.574 5.615 50 0 IKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2ccc(C)cc2)nn1 ZINC000009116614 569502983 /nfs/dbraw/zinc/50/29/83/569502983.db2.gz BRUQKJSWENFULS-UHFFFAOYSA-N 0 0 432.574 5.615 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1)c1ccccc1 ZINC000040427476 569503081 /nfs/dbraw/zinc/50/30/81/569503081.db2.gz LCSRXVJYJLEEFS-GOSISDBHSA-N 0 0 436.490 5.693 50 0 IKAARN CN(C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2)c1ccc(Br)cc1 ZINC000009117182 569503086 /nfs/dbraw/zinc/50/30/86/569503086.db2.gz MOSNIKYNHDPZBV-UHFFFAOYSA-N 0 0 442.332 5.455 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5cc(C)cc(C)c5)CC4)sc3n2)cc1 ZINC000009117305 569503109 /nfs/dbraw/zinc/50/31/09/569503109.db2.gz KRLOSMUTDPUSLE-UHFFFAOYSA-N 0 0 445.592 5.238 50 0 IKAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)Nc5ccc(C)c(C)c5)C4)sc3n2)cc1 ZINC000009117511 569503145 /nfs/dbraw/zinc/50/31/45/569503145.db2.gz VPGTYTNXRCUKCN-HXUWFJFHSA-N 0 0 445.592 5.238 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)c1 ZINC000009118313 569503240 /nfs/dbraw/zinc/50/32/40/569503240.db2.gz IXBSUDMICJCJPK-UHFFFAOYSA-N 0 0 435.593 5.001 50 0 IKAARN O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1cccc(Cl)c1 ZINC000009118322 569503300 /nfs/dbraw/zinc/50/33/00/569503300.db2.gz NWLMCLDZVRKUHK-UHFFFAOYSA-N 0 0 441.984 5.038 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1 ZINC000009118409 569503303 /nfs/dbraw/zinc/50/33/03/569503303.db2.gz LCAXDGQOFKFXBI-UHFFFAOYSA-N 0 0 449.620 5.392 50 0 IKAARN O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(Cl)cc1 ZINC000009118323 569503333 /nfs/dbraw/zinc/50/33/33/569503333.db2.gz IZBBLULTPMAAOV-UHFFFAOYSA-N 0 0 441.984 5.038 50 0 IKAARN CC1CCN(C(=O)Cn2cc(SCc3c(F)cccc3Cl)c3ccccc32)CC1 ZINC000009118528 569503407 /nfs/dbraw/zinc/50/34/07/569503407.db2.gz PPDMSFMQWLKKHS-UHFFFAOYSA-N 0 0 430.976 5.985 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2C2CCCCC2)cc1 ZINC000009119441 569503522 /nfs/dbraw/zinc/50/35/22/569503522.db2.gz VDAMUVQTSLETOM-UHFFFAOYSA-N 0 0 436.581 5.214 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 ZINC000009119439 569503538 /nfs/dbraw/zinc/50/35/38/569503538.db2.gz NKEPNLXCBFZGQQ-UHFFFAOYSA-N 0 0 448.979 5.402 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccco3)n2)cc1 ZINC000009119863 569503655 /nfs/dbraw/zinc/50/36/55/569503655.db2.gz RWPLDFXDKPDUBM-LJQANCHMSA-N 0 0 434.546 5.779 50 0 IKAARN Clc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)n1C1CCCC1 ZINC000009120030 569503678 /nfs/dbraw/zinc/50/36/78/569503678.db2.gz DUEJGWPQKGWCEG-UHFFFAOYSA-N 0 0 437.956 6.056 50 0 IKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)COc3ccc(-c4nnco4)cc3)cc2)c1 ZINC000009120106 569503748 /nfs/dbraw/zinc/50/37/48/569503748.db2.gz AWSYPUNTEYGDQK-UHFFFAOYSA-N 0 0 431.517 5.522 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@H]1C ZINC000245327894 569503783 /nfs/dbraw/zinc/50/37/83/569503783.db2.gz KYLIETCCYAUOQG-IAGOWNOFSA-N 0 0 448.970 5.315 50 0 IKAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)CCC2CCCC2)ccc1N1CCCC[C@H]1C ZINC000245328814 569504090 /nfs/dbraw/zinc/50/40/90/569504090.db2.gz PUNOPRWDKAFTMQ-RBUKOAKNSA-N 0 0 449.661 5.051 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)[C@H]1C ZINC000245338950 569504116 /nfs/dbraw/zinc/50/41/16/569504116.db2.gz PNSVTVRSXPBUIC-DAVBVWFFSA-N 0 0 440.996 5.980 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)[C@H]1C ZINC000245339239 569504128 /nfs/dbraw/zinc/50/41/28/569504128.db2.gz RJSQKMRVDNSNOT-SIFCLUCFSA-N 0 0 426.532 6.219 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C ZINC000009122272 569504142 /nfs/dbraw/zinc/50/41/42/569504142.db2.gz SSKQDVIOVBWMQG-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CCc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000009124608 569504387 /nfs/dbraw/zinc/50/43/87/569504387.db2.gz GTOPPSCKTHUNCR-VWLOTQADSA-N 0 0 438.531 5.102 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245343298 569504484 /nfs/dbraw/zinc/50/44/84/569504484.db2.gz KVQAKKODMQKGAH-ROMRWMGNSA-N 0 0 434.580 5.619 50 0 IKAARN 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CCc1nc(-c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2)cs1 ZINC000040454965 569506578 /nfs/dbraw/zinc/50/65/78/569506578.db2.gz PTRCRHKSBODIFC-LJQANCHMSA-N 0 0 444.560 5.560 50 0 IKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478294 569506719 /nfs/dbraw/zinc/50/67/19/569506719.db2.gz PBYDYDLBAXIBHX-UHFFFAOYSA-N 0 0 434.293 5.884 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478304 569506724 /nfs/dbraw/zinc/50/67/24/569506724.db2.gz GZGAHYYMYMJPPG-UHFFFAOYSA-N 0 0 444.638 5.764 50 0 IKAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4cccc(C(F)(F)F)c4)c3n2)cc1 ZINC000040484673 569506767 /nfs/dbraw/zinc/50/67/67/569506767.db2.gz MFZUUASFYFANQP-UHFFFAOYSA-N 0 0 449.432 5.392 50 0 IKAARN Cc1cc(C)c(Cn2c3ccccc3n3c2nc(-c2cccc(Cl)c2)cc3=O)c(C)c1 ZINC000040484663 569506776 /nfs/dbraw/zinc/50/67/76/569506776.db2.gz CWINTYPPBXIKCU-UHFFFAOYSA-N 0 0 427.935 5.943 50 0 IKAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4cccc(C(F)(F)F)c4)c3n2)c1 ZINC000040484677 569506806 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5.678 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc12 ZINC000009153335 569508082 /nfs/dbraw/zinc/50/80/82/569508082.db2.gz HAHIBRKCNSMNGF-UHFFFAOYSA-N 0 0 426.907 6.674 50 0 IKAARN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000009156665 569508360 /nfs/dbraw/zinc/50/83/60/569508360.db2.gz SALWPAAPJYGSAX-UHFFFAOYSA-N 0 0 440.330 6.150 50 0 IKAARN Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000009158931 569508502 /nfs/dbraw/zinc/50/85/02/569508502.db2.gz DOKAEKGYMXCJKA-CVDCTZTESA-N 0 0 449.304 5.420 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1OC ZINC000009158460 569508552 /nfs/dbraw/zinc/50/85/52/569508552.db2.gz GPWQYIAEUMUSGJ-HYBUGGRVSA-N 0 0 438.886 5.739 50 0 IKAARN COc1ccccc1OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000009158993 569508562 /nfs/dbraw/zinc/50/85/62/569508562.db2.gz GADHAVJCZJPQKY-UHFFFAOYSA-N 0 0 425.309 5.794 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000009159312 569508585 /nfs/dbraw/zinc/50/85/85/569508585.db2.gz QAIRBFFTJUHUND-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN CCSc1nnc(-c2ccc(C)c(NC(=O)c3ccccc3OC)c2)c2ccccc21 ZINC000009159014 569508619 /nfs/dbraw/zinc/50/86/19/569508619.db2.gz AVOFHHIAARGVKL-UHFFFAOYSA-N 0 0 429.545 5.978 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 ZINC000009159815 569508681 /nfs/dbraw/zinc/50/86/81/569508681.db2.gz VNFHOPWPXIYAFS-FQEVSTJZSA-N 0 0 437.282 5.553 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000009161396 569508735 /nfs/dbraw/zinc/50/87/35/569508735.db2.gz NDSZDQRMCRSCKX-FQEVSTJZSA-N 0 0 437.282 5.553 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000009161375 569508749 /nfs/dbraw/zinc/50/87/49/569508749.db2.gz HLPBARPESVFEKO-QHCPKHFHSA-N 0 0 426.472 5.035 50 0 IKAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nc(C)nc2ccccc21)c1ccccc1 ZINC000009165974 569508820 /nfs/dbraw/zinc/50/88/20/569508820.db2.gz 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Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000009172608 569509574 /nfs/dbraw/zinc/50/95/74/569509574.db2.gz OORHMFOEMMHPPK-UHFFFAOYSA-N 0 0 438.984 5.954 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2-c2nc3ccccc3s2)C1 ZINC000009175825 569509726 /nfs/dbraw/zinc/50/97/26/569509726.db2.gz ZSKKXVXIPWGKLC-ZDUSSCGKSA-N 0 0 448.569 6.131 50 0 IKAARN CC1(C)[C@H](C(=O)n2c3ccccc3nc2SCc2ccc(F)cc2)[C@H]1C=C(Cl)Cl ZINC000009176920 569509727 /nfs/dbraw/zinc/50/97/27/569509727.db2.gz HBWKGXZPMGOLME-BEFAXECRSA-N 0 0 449.378 6.699 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000009179371 569509817 /nfs/dbraw/zinc/50/98/17/569509817.db2.gz MEWGRRXBZWFZEG-UHFFFAOYSA-N 0 0 442.606 5.475 50 0 IKAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)Nc3nccs3)c(=O)oc12 ZINC000009184060 569509952 /nfs/dbraw/zinc/50/99/52/569509952.db2.gz KDPZXZIUHZJBJO-UHFFFAOYSA-N 0 0 430.485 5.461 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)cc1OC ZINC000009184958 569509989 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Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)o1 ZINC000009187327 569510330 /nfs/dbraw/zinc/51/03/30/569510330.db2.gz VVLMOSFIPOMSDD-HXUWFJFHSA-N 0 0 428.469 5.362 50 0 IKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009187193 569510338 /nfs/dbraw/zinc/51/03/38/569510338.db2.gz OEFLNLYWYCMINU-UHFFFAOYSA-N 0 0 426.324 6.488 50 0 IKAARN CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 ZINC000009187782 569510462 /nfs/dbraw/zinc/51/04/62/569510462.db2.gz RZOVRQOVZBKJIK-UHFFFAOYSA-N 0 0 448.450 5.469 50 0 IKAARN COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)c1 ZINC000009187788 569510486 /nfs/dbraw/zinc/51/04/86/569510486.db2.gz OQVFBGSLZZVZQH-UHFFFAOYSA-N 0 0 430.504 6.087 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2c(C)c1 ZINC000009190312 569510587 /nfs/dbraw/zinc/51/05/87/569510587.db2.gz CWMKJRVMNJDJRL-WYMLVPIESA-N 0 0 434.495 7.024 50 0 IKAARN CC[C@@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009191688 569510660 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431.517 5.174 50 0 IKAARN Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@@H]3c1ccccc1 ZINC000009209698 569511591 /nfs/dbraw/zinc/51/15/91/569511591.db2.gz ZYHVEYSWOARZQA-DEOSSOPVSA-N 0 0 440.506 6.539 50 0 IKAARN c1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1 ZINC000009210112 569511621 /nfs/dbraw/zinc/51/16/21/569511621.db2.gz ATMZUZQDIUEGFS-HSZRJFAPSA-N 0 0 426.479 6.230 50 0 IKAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NCCC(C)C)n1 ZINC000009210314 569511631 /nfs/dbraw/zinc/51/16/31/569511631.db2.gz VMPPSLHRAHGPRD-UHFFFAOYSA-N 0 0 444.670 6.394 50 0 IKAARN COc1ccc2[nH]c(=O)c(-c3nc4ccc(Cl)cn4c3Nc3cc(C)cc(C)c3)cc2c1 ZINC000009210836 569511715 /nfs/dbraw/zinc/51/17/15/569511715.db2.gz RXTUMXPDECYPHE-UHFFFAOYSA-N 0 0 444.922 5.865 50 0 IKAARN Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 ZINC000009210988 569511776 /nfs/dbraw/zinc/51/17/76/569511776.db2.gz NTJCMJONYRNSTD-JOCHJYFZSA-N 0 0 430.891 5.516 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)nc1COc1ccccc1 ZINC000009211859 569511905 /nfs/dbraw/zinc/51/19/05/569511905.db2.gz GQCFKVBZDKTBED-FQEVSTJZSA-N 0 0 440.543 5.980 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCCC3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000009212021 569511914 /nfs/dbraw/zinc/51/19/14/569511914.db2.gz WPNHIBJIELGKIK-WJOKGBTCSA-N 0 0 436.577 5.410 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)nc1CSc1ccccc1 ZINC000009211970 569511923 /nfs/dbraw/zinc/51/19/23/569511923.db2.gz ZUHLVUHNUWQAHL-UHFFFAOYSA-N 0 0 436.483 6.473 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3ccccc3Cl)cc2)nc1CSc1ccccc1 ZINC000009211967 569511925 /nfs/dbraw/zinc/51/19/25/569511925.db2.gz FNSGHXZYVOQEFQ-UHFFFAOYSA-N 0 0 434.948 6.848 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc1 ZINC000009211972 569511928 /nfs/dbraw/zinc/51/19/28/569511928.db2.gz ZYDALOWZUONCBG-UHFFFAOYSA-N 0 0 444.556 6.593 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1nncs1)C3=O ZINC000009215820 569512015 /nfs/dbraw/zinc/51/20/15/569512015.db2.gz RAACMUREZLCYPU-LJQANCHMSA-N 0 0 431.517 5.000 50 0 IKAARN c1ccc([C@@H]2c3c4nc(-c5ccncc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000009216353 569512124 /nfs/dbraw/zinc/51/21/24/569512124.db2.gz IKTKMTLJQYODMU-QFIPXVFZSA-N 0 0 427.467 5.625 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000009217281 569512238 /nfs/dbraw/zinc/51/22/38/569512238.db2.gz BWVDQKFRWVYUNR-UHFFFAOYSA-N 0 0 447.589 5.058 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NCc1ccco1 ZINC000009217953 569512340 /nfs/dbraw/zinc/51/23/40/569512340.db2.gz QGFDOJBTPSDHML-AWEZNQCLSA-N 0 0 430.961 5.104 50 0 IKAARN CCCN(CC1CC1)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC ZINC000009218861 569512423 /nfs/dbraw/zinc/51/24/23/569512423.db2.gz CRHZMVPMPXDASU-JOCHJYFZSA-N 0 0 435.568 5.149 50 0 IKAARN COc1cccc(NCc2nnc(SCc3nc4ccccc4o3)n2C2CCCCC2)c1 ZINC000009222612 569512764 /nfs/dbraw/zinc/51/27/64/569512764.db2.gz UXZQIDBPCDKFJN-UHFFFAOYSA-N 0 0 449.580 5.838 50 0 IKAARN O=C(CSc1cc(Cl)ccc1Cl)N(Cc1ccncc1)c1ccc2c(c1)OCO2 ZINC000009222713 569512777 /nfs/dbraw/zinc/51/27/77/569512777.db2.gz NHKSQKCLWQUSMJ-UHFFFAOYSA-N 0 0 447.343 5.443 50 0 IKAARN O=C(CSc1ncnc2ccccc21)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009222833 569512822 /nfs/dbraw/zinc/51/28/22/569512822.db2.gz QWDWFQBAONGDDQ-KRWDZBQOSA-N 0 0 436.587 5.223 50 0 IKAARN COc1ccc([C@H](NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c2ccccc2)cc1 ZINC000009223399 569512971 /nfs/dbraw/zinc/51/29/71/569512971.db2.gz FSSVRIYIMINXPU-RUZDIDTESA-N 0 0 440.499 5.368 50 0 IKAARN Cc1nnc2c(NCCc3ccc(Cl)cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000009224689 569513193 /nfs/dbraw/zinc/51/31/93/569513193.db2.gz KAPXQCPEDNXBRZ-UHFFFAOYSA-N 0 0 441.922 5.125 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000009225201 569513205 /nfs/dbraw/zinc/51/32/05/569513205.db2.gz PVGNHLSZDKOIGN-NIYFSFCBSA-N 0 0 442.946 6.213 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)cc1Cl ZINC000009225969 569513264 /nfs/dbraw/zinc/51/32/64/569513264.db2.gz YGZXXTQDGZUHQZ-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2CCCOC(C)C)c1 ZINC000009226979 569513326 /nfs/dbraw/zinc/51/33/26/569513326.db2.gz RCOXOOLLFBBAMQ-AREMUKBSSA-N 0 0 432.564 5.878 50 0 IKAARN Cc1cccc(-c2noc(CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C(C)C)n2)c1 ZINC000009227088 569513349 /nfs/dbraw/zinc/51/33/49/569513349.db2.gz IIEQQSGRFAGCTP-UHFFFAOYSA-N 0 0 427.932 5.293 50 0 IKAARN CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009227593 569513442 /nfs/dbraw/zinc/51/34/42/569513442.db2.gz KFGZNHMQKNFQFV-IBGZPJMESA-N 0 0 433.562 5.172 50 0 IKAARN CCc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)NCc4ccccc4)c32)cc1 ZINC000009228164 569513502 /nfs/dbraw/zinc/51/35/02/569513502.db2.gz OYSKEHYFYNUOPS-UHFFFAOYSA-N 0 0 446.554 6.093 50 0 IKAARN CCOc1ccccc1-c1cc(C(=O)NCc2ccccc2)c2c(n[nH]c2-c2ccccc2)n1 ZINC000009228159 569513524 /nfs/dbraw/zinc/51/35/24/569513524.db2.gz KVICQZLFLKHKPU-UHFFFAOYSA-N 0 0 448.526 5.621 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000009228190 569513574 /nfs/dbraw/zinc/51/35/74/569513574.db2.gz XXRJZVDNXPEYIH-UHFFFAOYSA-N 0 0 434.927 5.484 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)cc1 ZINC000009229105 569513637 /nfs/dbraw/zinc/51/36/37/569513637.db2.gz OLYBSKGWYWVWDA-UHFFFAOYSA-N 0 0 432.951 6.611 50 0 IKAARN O=C(COc1ccc(C2SCCCS2)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000069703628 569513717 /nfs/dbraw/zinc/51/37/17/569513717.db2.gz BXTNXSWEVVPEPG-UHFFFAOYSA-N 0 0 429.607 5.046 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)cc1 ZINC000009229141 569513737 /nfs/dbraw/zinc/51/37/37/569513737.db2.gz SWLIUZPLFLIGNC-UHFFFAOYSA-N 0 0 449.019 6.612 50 0 IKAARN CCOc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000009232570 569513771 /nfs/dbraw/zinc/51/37/71/569513771.db2.gz OWCFUXKXGAWNHL-PMERELPUSA-N 0 0 447.582 7.053 50 0 IKAARN O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000009233098 569513874 /nfs/dbraw/zinc/51/38/74/569513874.db2.gz XBIKLNPSQRYPCL-VIZOYTHASA-N 0 0 442.693 5.184 50 0 IKAARN CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 ZINC000009234916 569513967 /nfs/dbraw/zinc/51/39/67/569513967.db2.gz FCNMBEPQQTUPQE-UHFFFAOYSA-N 0 0 440.362 6.704 50 0 IKAARN Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009242807 569514684 /nfs/dbraw/zinc/51/46/84/569514684.db2.gz OWQLACCSFFJTCY-QFIPXVFZSA-N 0 0 430.891 5.204 50 0 IKAARN O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000009242229 569514703 /nfs/dbraw/zinc/51/47/03/569514703.db2.gz RKHLZJCWHNKCKO-UHFFFAOYSA-N 0 0 429.932 6.345 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000009244667 569515125 /nfs/dbraw/zinc/51/51/25/569515125.db2.gz HNHNFSNRKROJHN-UHFFFAOYSA-N 0 0 431.473 5.010 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)cc1OC ZINC000009244886 569515200 /nfs/dbraw/zinc/51/52/00/569515200.db2.gz PRWWDNLWQUTENQ-UHFFFAOYSA-N 0 0 431.583 5.940 50 0 IKAARN Cc1c(C(=O)NCc2cccc(Br)c2)oc2ccc3c(c12)C=CC(C)(C)O3 ZINC000009251055 569515753 /nfs/dbraw/zinc/51/57/53/569515753.db2.gz PPJDKAFXOOHLMO-UHFFFAOYSA-N 0 0 426.310 5.618 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000009250011 569515584 /nfs/dbraw/zinc/51/55/84/569515584.db2.gz NAYVJQWOPDSXQJ-UHFFFAOYSA-N 0 0 425.941 5.335 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2c(C)cccc2C)n1 ZINC000009250102 569515626 /nfs/dbraw/zinc/51/56/26/569515626.db2.gz OGLHIZOPBDGDCE-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1c(C)cccc1C ZINC000009250166 569515638 /nfs/dbraw/zinc/51/56/38/569515638.db2.gz LSCSARRDCZTWLH-UHFFFAOYSA-N 0 0 449.576 5.307 50 0 IKAARN Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009250050 569515639 /nfs/dbraw/zinc/51/56/39/569515639.db2.gz FDXPHGRBRDHGNM-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccc(C)cc1C ZINC000009250162 569515640 /nfs/dbraw/zinc/51/56/40/569515640.db2.gz CNZLDIPLFUCYBF-UHFFFAOYSA-N 0 0 449.576 5.307 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000009250087 569515653 /nfs/dbraw/zinc/51/56/53/569515653.db2.gz LXKZALPWFUYNQO-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000009250078 569515664 /nfs/dbraw/zinc/51/56/64/569515664.db2.gz VIASGEGUYOVMDW-UHFFFAOYSA-N 0 0 449.576 5.389 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1 ZINC000009250140 569515670 /nfs/dbraw/zinc/51/56/70/569515670.db2.gz CSBPCHMILHTIPQ-UHFFFAOYSA-N 0 0 433.577 5.552 50 0 IKAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)Nc1ccccc1Br ZINC000009251132 569515836 /nfs/dbraw/zinc/51/58/36/569515836.db2.gz BILUBHRWOWJVOG-UHFFFAOYSA-N 0 0 430.371 5.502 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(C)c1 ZINC000009250199 569515685 /nfs/dbraw/zinc/51/56/85/569515685.db2.gz UCSOLIOIUHFUJZ-UHFFFAOYSA-N 0 0 449.576 5.389 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(OC)cc2)cc1 ZINC000009250242 569515695 /nfs/dbraw/zinc/51/56/95/569515695.db2.gz UQUUXZCCDUXAIL-UHFFFAOYSA-N 0 0 434.561 5.497 50 0 IKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000009250245 569515711 /nfs/dbraw/zinc/51/57/11/569515711.db2.gz DDEKLJWCWIEBBK-UHFFFAOYSA-N 0 0 447.604 5.861 50 0 IKAARN C[C@H](NC(=O)Nc1ccccc1Br)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251100 569515765 /nfs/dbraw/zinc/51/57/65/569515765.db2.gz GBILIFZLOYFICE-AWEZNQCLSA-N 0 0 444.398 6.063 50 0 IKAARN COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)c1 ZINC000009251348 569515805 /nfs/dbraw/zinc/51/58/05/569515805.db2.gz TZFZCMYGACYLFA-UHFFFAOYSA-N 0 0 433.504 5.348 50 0 biogenic IKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1ccc(Br)o1 ZINC000009251312 569515820 /nfs/dbraw/zinc/51/58/20/569515820.db2.gz AZSWIJMORXCDSF-UHFFFAOYSA-N 0 0 433.302 5.303 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251105 569515823 /nfs/dbraw/zinc/51/58/23/569515823.db2.gz XVMXPSFFOSRNCB-CQSZACIVSA-N 0 0 429.973 5.962 50 0 IKAARN CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2ccc(Br)cc2)s1 ZINC000009251170 569515826 /nfs/dbraw/zinc/51/58/26/569515826.db2.gz GZIUPGPNWNJEEH-UHFFFAOYSA-N 0 0 426.384 5.063 50 0 IKAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000009251369 569515848 /nfs/dbraw/zinc/51/58/48/569515848.db2.gz GNGFLBRNETVEAE-UHFFFAOYSA-N 0 0 431.532 6.524 50 0 biogenic IKAARN Cc1c(C(=O)N[C@@H]2CCCc3ccccc32)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251386 569515861 /nfs/dbraw/zinc/51/58/61/569515861.db2.gz MJCBRJDGYYCRNM-LJQANCHMSA-N 0 0 429.516 5.827 50 0 biogenic IKAARN COc1ccccc1CNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000009251427 569515873 /nfs/dbraw/zinc/51/58/73/569515873.db2.gz FHKFOKNHMKWFHM-UHFFFAOYSA-N 0 0 447.531 5.738 50 0 biogenic IKAARN CC(=O)c1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCCC2)O4)c1 ZINC000009251426 569515884 /nfs/dbraw/zinc/51/58/84/569515884.db2.gz DIFLHEFIOBEPCC-UHFFFAOYSA-N 0 0 445.515 6.254 50 0 IKAARN Cc1c(C(=O)Nc2cc(C)ccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251418 569515895 /nfs/dbraw/zinc/51/58/95/569515895.db2.gz RMFNWWCICISSHT-UHFFFAOYSA-N 0 0 431.532 6.669 50 0 biogenic IKAARN CCN1c2cc(NC(=O)Nc3ccc(F)cc3F)ccc2Sc2ccccc2C1=O ZINC000009251526 569515909 /nfs/dbraw/zinc/51/59/09/569515909.db2.gz SBNUYXZAROKFRW-UHFFFAOYSA-N 0 0 425.460 5.740 50 0 IKAARN CCN1c2cc(NC(=O)Nc3cccc(SC)c3)ccc2Sc2ccccc2C1=O ZINC000009251531 569515928 /nfs/dbraw/zinc/51/59/28/569515928.db2.gz YLNORGHHQGLBAV-UHFFFAOYSA-N 0 0 435.574 6.184 50 0 IKAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000009252148 569515977 /nfs/dbraw/zinc/51/59/77/569515977.db2.gz BXUULBURIUIVJR-UHFFFAOYSA-N 0 0 435.508 6.235 50 0 IKAARN COc1ccc([C@H]2CCCCCN2Cc2csc(N(C(C)=O)c3ccccc3)n2)cc1 ZINC000009253102 569516153 /nfs/dbraw/zinc/51/61/53/569516153.db2.gz MUUZWNQWVPGVSJ-XMMPIXPASA-N 0 0 435.593 5.954 50 0 IKAARN O=C(CSc1nnc(C2CCCCC2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009254959 569516499 /nfs/dbraw/zinc/51/64/99/569516499.db2.gz KTEVWKIPRBLEHC-HXUWFJFHSA-N 0 0 435.549 5.376 50 0 IKAARN O=C(Nc1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1)c1ccco1 ZINC000009255580 569516604 /nfs/dbraw/zinc/51/66/04/569516604.db2.gz UNRPWUVMSHHNJK-UHFFFAOYSA-N 0 0 429.501 5.449 50 0 IKAARN C[C@@H]1C[C@@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 ZINC000009255915 569516624 /nfs/dbraw/zinc/51/66/24/569516624.db2.gz LBNNTEYWLDZNQJ-SJKOYZFVSA-N 0 0 434.348 5.096 50 0 IKAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)s2)cc1 ZINC000009256051 569516721 /nfs/dbraw/zinc/51/67/21/569516721.db2.gz UXLBZUQWVOWDAO-QGZVFWFLSA-N 0 0 449.601 5.757 50 0 IKAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000009266829 569517439 /nfs/dbraw/zinc/51/74/39/569517439.db2.gz YDRNDVNWUGPUTA-UHFFFAOYSA-N 0 0 446.938 5.829 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000009266692 569517451 /nfs/dbraw/zinc/51/74/51/569517451.db2.gz YODXPHZUEYTCKX-UHFFFAOYSA-N 0 0 430.939 6.129 50 0 IKAARN COc1cc2c(cc1OC)CN(C(=O)/C(=C\c1ccccc1)c1ccc(Cl)cc1)CC2 ZINC000009266892 569517454 /nfs/dbraw/zinc/51/74/54/569517454.db2.gz BTECZHPEPHBDBB-UCQKPKSFSA-N 0 0 433.935 5.483 50 0 IKAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)cc1Cl ZINC000009266799 569517491 /nfs/dbraw/zinc/51/74/91/569517491.db2.gz KFKPOJFRJLIRSH-UHFFFAOYSA-N 0 0 446.938 5.829 50 0 IKAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N(Cc3ccco3)[C@H](C)c3ccccc3)c2)on1 ZINC000009268706 569517610 /nfs/dbraw/zinc/51/76/10/569517610.db2.gz AYWPRQHZEAUZGL-LJQANCHMSA-N 0 0 436.533 5.504 50 0 IKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000009273223 569518055 /nfs/dbraw/zinc/51/80/55/569518055.db2.gz JZLLZMWNIASWDN-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc43)nc21 ZINC000009274091 569518122 /nfs/dbraw/zinc/51/81/22/569518122.db2.gz OGVWXEDNBCNROG-UHFFFAOYSA-N 0 0 439.540 6.009 50 0 IKAARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)sc2c(C)c1 ZINC000009273833 569518128 /nfs/dbraw/zinc/51/81/28/569518128.db2.gz NMAFMHZKCZSSPV-UHFFFAOYSA-N 0 0 430.558 5.765 50 0 IKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1OC ZINC000009274437 569518146 /nfs/dbraw/zinc/51/81/46/569518146.db2.gz NCJFUUADPRGTQU-UHFFFAOYSA-N 0 0 432.501 5.872 50 0 IKAARN O=C(c1nc2ccccc2s1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000009274282 569518148 /nfs/dbraw/zinc/51/81/48/569518148.db2.gz JVVBWXSPHAPYLC-UHFFFAOYSA-N 0 0 438.484 5.426 50 0 IKAARN O=C(Cc1cccc2ccccc21)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000009274340 569518153 /nfs/dbraw/zinc/51/81/53/569518153.db2.gz ZGRSFPVASUGAQJ-UHFFFAOYSA-N 0 0 445.494 5.899 50 0 IKAARN CCCCCCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 ZINC000009273995 569518171 /nfs/dbraw/zinc/51/81/71/569518171.db2.gz CNDIPPUHSJOMND-UHFFFAOYSA-N 0 0 438.622 6.702 50 0 IKAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c1C ZINC000009274148 569518173 /nfs/dbraw/zinc/51/81/73/569518173.db2.gz FLVCLPURQSJUJR-XBEWDXHHSA-N 0 0 436.596 5.282 50 0 IKAARN Cc1ccc2c(C[NH2+]C[C@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274913 569518261 /nfs/dbraw/zinc/51/82/61/569518261.db2.gz SINWNBDYGYQKQW-IBGZPJMESA-N 0 0 430.523 5.729 50 0 IKAARN COc1ccccc1CC[NH2+]Cc1c2ccc(C)cc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000009274916 569518279 /nfs/dbraw/zinc/51/82/79/569518279.db2.gz KQGVDHWBZNLPPR-UHFFFAOYSA-N 0 0 446.522 5.176 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3ccccc3)c2C(=O)[O-])cc1 ZINC000009274955 569518280 /nfs/dbraw/zinc/51/82/80/569518280.db2.gz IBYUHGVOYGYLPZ-UHFFFAOYSA-N 0 0 428.532 5.037 50 0 IKAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(C(=O)[O-])c2C[NH2+]Cc1cccc(Cl)c1 ZINC000009274890 569518296 /nfs/dbraw/zinc/51/82/96/569518296.db2.gz CFUWQCNNDDKWHC-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000009274953 569518298 /nfs/dbraw/zinc/51/82/98/569518298.db2.gz XLFJZAZZVVVHJR-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(C(=O)[O-])c2C[NH2+]Cc1ccc(Cl)cc1 ZINC000009274894 569518311 /nfs/dbraw/zinc/51/83/11/569518311.db2.gz ZMIWICRYVPGMSY-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN Cc1ccc2c(C[NH2+]Cc3ccco3)c(C(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c1 ZINC000009275039 569518359 /nfs/dbraw/zinc/51/83/59/569518359.db2.gz AILXCVRMDFXUSI-UHFFFAOYSA-N 0 0 426.875 5.372 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009275013 569518370 /nfs/dbraw/zinc/51/83/70/569518370.db2.gz WNBDTOGRXFHMDP-UHFFFAOYSA-N 0 0 428.507 5.768 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009275022 569518380 /nfs/dbraw/zinc/51/83/80/569518380.db2.gz OXDGYARXMKMSJZ-UHFFFAOYSA-N 0 0 438.571 5.980 50 0 IKAARN Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1-c1nc2cccnc2s1 ZINC000009278865 569518500 /nfs/dbraw/zinc/51/85/00/569518500.db2.gz CYJIUXNBQJXVFC-UHFFFAOYSA-N 0 0 435.552 6.437 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000009280964 569518538 /nfs/dbraw/zinc/51/85/38/569518538.db2.gz JNBFYKPRYOJVCI-WMZHIEFXSA-N 0 0 439.298 5.964 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc(OC)c1OC ZINC000009281021 569518544 /nfs/dbraw/zinc/51/85/44/569518544.db2.gz IETLLEJSUPDFJV-HFZDXXHNSA-N 0 0 430.504 5.263 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009281779 569518637 /nfs/dbraw/zinc/51/86/37/569518637.db2.gz CUUHNKSDTZCGIL-GBXCKJPGSA-N 0 0 434.879 5.320 50 0 IKAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000009282683 569518732 /nfs/dbraw/zinc/51/87/32/569518732.db2.gz JVUZEWLZNGJSAM-QHCPKHFHSA-N 0 0 444.918 6.023 50 0 IKAARN CC[C@H](C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000009282740 569518760 /nfs/dbraw/zinc/51/87/60/569518760.db2.gz KZJIIMLMFJSOOL-LBPRGKRZSA-N 0 0 428.414 5.130 50 0 IKAARN CCOc1ccc(-c2nc(COC(=O)c3ccc4ncsc4c3)cs2)cc1OC ZINC000009283371 569518824 /nfs/dbraw/zinc/51/88/24/569518824.db2.gz JDTPKZDBVGFIAD-UHFFFAOYSA-N 0 0 426.519 5.184 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000009283225 569518857 /nfs/dbraw/zinc/51/88/57/569518857.db2.gz HSTXDKZQTZDPMH-UHFFFAOYSA-N 0 0 436.792 6.003 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl ZINC000009283490 569518928 /nfs/dbraw/zinc/51/89/28/569518928.db2.gz OXUDHPYPJCMYRZ-FQEVSTJZSA-N 0 0 426.973 5.438 50 0 IKAARN COc1cc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)cc(OC)c1OC ZINC000009284672 569519104 /nfs/dbraw/zinc/51/91/04/569519104.db2.gz HFUVZYPFSXIISX-UHFFFAOYSA-N 0 0 441.534 5.178 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N[C@@H](C)CCc1ccccc1)c2Sc1ccc(Cl)cc1 ZINC000009288269 569519343 /nfs/dbraw/zinc/51/93/43/569519343.db2.gz ZEFZIKBSEZISEH-SFHVURJKSA-N 0 0 449.019 7.032 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@@H](C)CCc1ccccc1)c2Sc1ccccc1 ZINC000009288358 569519392 /nfs/dbraw/zinc/51/93/92/569519392.db2.gz DQUOVWZRDKZPBI-SFHVURJKSA-N 0 0 430.573 6.079 50 0 IKAARN CCOC(=O)C1CCN(C(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)CC1 ZINC000009288085 569519398 /nfs/dbraw/zinc/51/93/98/569519398.db2.gz DLXOBEMMJNSEJS-UHFFFAOYSA-N 0 0 442.968 5.388 50 0 IKAARN CCOc1ccccc1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1 ZINC000009288494 569519420 /nfs/dbraw/zinc/51/94/20/569519420.db2.gz QVBAXMMDPDYFCH-UHFFFAOYSA-N 0 0 446.572 5.965 50 0 IKAARN COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc2ccccc2c1 ZINC000009289230 569519515 /nfs/dbraw/zinc/51/95/15/569519515.db2.gz OFQNAXSYPWTZJA-MUUNZHRXSA-N 0 0 446.506 5.706 50 0 IKAARN Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000009289202 569519536 /nfs/dbraw/zinc/51/95/36/569519536.db2.gz VUEHFPOWWHDTLT-DEOSSOPVSA-N 0 0 429.907 5.016 50 0 IKAARN CC[C@H](C(=O)N[C@H](C)CCc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289286 569519605 /nfs/dbraw/zinc/51/96/05/569519605.db2.gz VDKUDQKNPRZPQN-OXQOHEQNSA-N 0 0 433.577 5.008 50 0 IKAARN Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C ZINC000009290443 569519725 /nfs/dbraw/zinc/51/97/25/569519725.db2.gz LGNAWNXUMQTZJE-VWLOTQADSA-N 0 0 443.934 5.324 50 0 IKAARN CCC1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009290709 569519750 /nfs/dbraw/zinc/51/97/50/569519750.db2.gz XUZQUSSXMMALQL-JCVMYPOKSA-N 0 0 425.370 6.289 50 0 IKAARN Clc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 ZINC000009290907 569519779 /nfs/dbraw/zinc/51/97/79/569519779.db2.gz MOVQQQYSHFCABJ-CTNGQTDRSA-N 0 0 438.756 6.599 50 0 IKAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(OCc4ccccc4)cc3)NC(=O)CCN21 ZINC000009290649 569519781 /nfs/dbraw/zinc/51/97/81/569519781.db2.gz ACNIREGNKACZPT-NUKVQWKISA-N 0 0 438.571 5.601 50 0 IKAARN COc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009291393 569519851 /nfs/dbraw/zinc/51/98/51/569519851.db2.gz QBQHUJAQWDHEPP-IFMALSPDSA-N 0 0 434.337 5.954 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2SCc2cccc3ccccc32)c1-c1ccccc1 ZINC000009291829 569519861 /nfs/dbraw/zinc/51/98/61/569519861.db2.gz QTJCCHGRDRCWOF-UHFFFAOYSA-N 0 0 437.612 7.448 50 0 IKAARN COc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 ZINC000009291899 569519866 /nfs/dbraw/zinc/51/98/66/569519866.db2.gz VRMXVWYENXLRDN-IRLDBZIGSA-N 0 0 434.337 5.954 50 0 IKAARN Clc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009291886 569519875 /nfs/dbraw/zinc/51/98/75/569519875.db2.gz HQRPJHDTNALSAM-PZJWPPBQSA-N 0 0 438.756 6.599 50 0 IKAARN COc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 ZINC000009291900 569519893 /nfs/dbraw/zinc/51/98/93/569519893.db2.gz VRMXVWYENXLRDN-IFMALSPDSA-N 0 0 434.337 5.954 50 0 IKAARN COc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009291396 569519912 /nfs/dbraw/zinc/51/99/12/569519912.db2.gz QBQHUJAQWDHEPP-RBBKRZOGSA-N 0 0 434.337 5.954 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000009292037 569519925 /nfs/dbraw/zinc/51/99/25/569519925.db2.gz BGJIQGXCPLSHCN-CYBMUJFWSA-N 0 0 449.605 5.924 50 0 IKAARN COc1cccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 ZINC000009291901 569519972 /nfs/dbraw/zinc/51/99/72/569519972.db2.gz VRMXVWYENXLRDN-UNMCSNQZSA-N 0 0 434.337 5.954 50 0 IKAARN CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 ZINC000009292269 569520034 /nfs/dbraw/zinc/52/00/34/569520034.db2.gz OLTVZUDKSIEUPR-IRLDBZIGSA-N 0 0 438.358 6.888 50 0 IKAARN CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292687 569520057 /nfs/dbraw/zinc/52/00/57/569520057.db2.gz PKHQQOBSUHZADT-VWNXMTODSA-N 0 0 436.386 7.613 50 0 IKAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292785 569520086 /nfs/dbraw/zinc/52/00/86/569520086.db2.gz IVLNMHNMAUUHHO-JTHBVZDNSA-N 0 0 438.358 6.888 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)c(Cl)c1 ZINC000009293166 569520144 /nfs/dbraw/zinc/52/01/44/569520144.db2.gz VIAJQASPXKGQNU-FGZHOGPDSA-N 0 0 448.313 5.193 50 0 IKAARN Cc1ccc2c(c1)C1=C([C@@H](c3ccc(C(C)C)cc3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293638 569520316 /nfs/dbraw/zinc/52/03/16/569520316.db2.gz HVVUEJNVKJTPPU-CLJLJLNGSA-N 0 0 435.531 5.318 50 0 IKAARN Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000009295710 569520351 /nfs/dbraw/zinc/52/03/51/569520351.db2.gz YQNDWEHAKUNKMQ-UCQKPKSFSA-N 0 0 449.959 6.464 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1C ZINC000009296235 569520397 /nfs/dbraw/zinc/52/03/97/569520397.db2.gz KMRNPUKPLVXKDU-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000009296376 569520466 /nfs/dbraw/zinc/52/04/66/569520466.db2.gz HGAKEXZABWIDIG-UHFFFAOYSA-N 0 0 428.989 5.104 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1C ZINC000009296254 569520478 /nfs/dbraw/zinc/52/04/78/569520478.db2.gz MFYHWDXWZOQRIF-UHFFFAOYSA-N 0 0 442.588 5.514 50 0 IKAARN Fc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccncc2)cc1 ZINC000009296246 569520493 /nfs/dbraw/zinc/52/04/93/569520493.db2.gz CWRCYBKCMAHIHG-UHFFFAOYSA-N 0 0 441.329 5.523 50 0 IKAARN Clc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000009301806 569520739 /nfs/dbraw/zinc/52/07/39/569520739.db2.gz AMGADLQGZRNVQK-BAJYBRIYSA-N 0 0 433.382 7.794 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 ZINC000009303854 569521048 /nfs/dbraw/zinc/52/10/48/569521048.db2.gz NWCLDCNGMXCADL-KRWDZBQOSA-N 0 0 443.311 5.615 50 0 IKAARN CCCCCCSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 ZINC000009303866 569521049 /nfs/dbraw/zinc/52/10/49/569521049.db2.gz YAGONSZZPDIBHW-UHFFFAOYSA-N 0 0 438.681 6.997 50 0 IKAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)Nc3nccs3)c(=O)oc12 ZINC000009303980 569521133 /nfs/dbraw/zinc/52/11/33/569521133.db2.gz PHMIWDLSHYPIKQ-UHFFFAOYSA-N 0 0 448.475 5.600 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccccn1)occ3-c1ccc(F)cc1 ZINC000009304918 569521225 /nfs/dbraw/zinc/52/12/25/569521225.db2.gz NKNKTIIFILCVJL-UHFFFAOYSA-N 0 0 442.446 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O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000009318208 569522443 /nfs/dbraw/zinc/52/24/43/569522443.db2.gz KGSZPFWFXPBYOW-UHFFFAOYSA-N 0 0 442.260 5.168 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000009320730 569522546 /nfs/dbraw/zinc/52/25/46/569522546.db2.gz BUEMVFNTZPXTMG-UHFFFAOYSA-N 0 0 444.347 5.162 50 0 IKAARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2cnc3ccccc3n2)CC1 ZINC000069877045 569522552 /nfs/dbraw/zinc/52/25/52/569522552.db2.gz ZKPSBXQQXHNUTG-XMMPIXPASA-N 0 0 429.568 5.323 50 0 IKAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2cnc3ccccc3n2)CC1 ZINC000069877049 569522562 /nfs/dbraw/zinc/52/25/62/569522562.db2.gz ZKPSBXQQXHNUTG-DEOSSOPVSA-N 0 0 429.568 5.323 50 0 IKAARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000069877921 569522636 /nfs/dbraw/zinc/52/26/36/569522636.db2.gz MFNOSDNLPYWDLW-LJQANCHMSA-N 0 0 447.505 5.189 50 0 IKAARN CCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC000069878166 569522653 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6.155 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccn3)nc2c(C)c1 ZINC000009347816 569524330 /nfs/dbraw/zinc/52/43/30/569524330.db2.gz GIZZDNCPAWHBHM-OAQYLSRUSA-N 0 0 439.496 5.164 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccc(F)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000009348960 569524641 /nfs/dbraw/zinc/52/46/41/569524641.db2.gz HKHWZECEUFOPFX-WIOPSUGQSA-N 0 0 441.587 5.952 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)o1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000009349360 569524769 /nfs/dbraw/zinc/52/47/69/569524769.db2.gz QTXVWELSEQXJSL-NRFANRHFSA-N 0 0 433.508 5.068 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccccc2)cc1 ZINC000009354675 569525099 /nfs/dbraw/zinc/52/50/99/569525099.db2.gz BCHGITXSZHRDNF-UHFFFAOYSA-N 0 0 449.373 6.800 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1cc(OC)ccc1OC ZINC000009355516 569525216 /nfs/dbraw/zinc/52/52/16/569525216.db2.gz UXCOWMVEVJAVGX-MHZLTWQESA-N 0 0 440.543 6.197 50 0 IKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccccc2)N1CCc1ccccc1 ZINC000009355420 569525217 /nfs/dbraw/zinc/52/52/17/569525217.db2.gz NYUZAHCAXRGFLD-GDLZYMKVSA-N 0 0 428.535 6.623 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009355544 569525225 /nfs/dbraw/zinc/52/52/25/569525225.db2.gz CKFLBURPIRFVSR-ADXZGYQBSA-N 0 0 446.525 7.280 50 0 IKAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3Cc3ccccc3)c3ccccc3n2C)cc1 ZINC000009355487 569525226 /nfs/dbraw/zinc/52/52/26/569525226.db2.gz ZEXRLACNYBWNQX-SSEXGKCCSA-N 0 0 442.562 6.899 50 0 IKAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3Cc3ccccc3)c3ccccc3n2C)cc1 ZINC000009355486 569525239 /nfs/dbraw/zinc/52/52/39/569525239.db2.gz ZEXRLACNYBWNQX-PMERELPUSA-N 0 0 442.562 6.899 50 0 IKAARN CC(C)OCCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009355548 569525242 /nfs/dbraw/zinc/52/52/42/569525242.db2.gz KHAWXWFKRZACQE-MHZLTWQESA-N 0 0 442.534 6.334 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009355416 569525250 /nfs/dbraw/zinc/52/52/50/569525250.db2.gz VCYKYQXSFNQKGG-ACSYHNTCSA-N 0 0 428.535 7.141 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1-c1ccccc1 ZINC000009355476 569525256 /nfs/dbraw/zinc/52/52/56/569525256.db2.gz JOEQMEWVLXSMQS-LJAQVGFWSA-N 0 0 428.535 6.591 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009355545 569525259 /nfs/dbraw/zinc/52/52/59/569525259.db2.gz CKFLBURPIRFVSR-SONOPUAISA-N 0 0 446.525 7.280 50 0 IKAARN COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2c(C)n(C)c3ccccc32)cc1OC ZINC000009355468 569525262 /nfs/dbraw/zinc/52/52/62/569525262.db2.gz QPKSJAVQYFSDQJ-MHZLTWQESA-N 0 0 440.543 5.292 50 0 IKAARN CCCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000009355605 569525272 /nfs/dbraw/zinc/52/52/72/569525272.db2.gz GBSKHQJWIVEOGS-AFMDSPMNSA-N 0 0 431.580 5.578 50 0 IKAARN CCCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000009355604 569525317 /nfs/dbraw/zinc/52/53/17/569525317.db2.gz GBSKHQJWIVEOGS-NIYFSFCBSA-N 0 0 431.580 5.578 50 0 IKAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1csc(-c2ccccc2OC)n1 ZINC000009358548 569525592 /nfs/dbraw/zinc/52/55/92/569525592.db2.gz BJJQESKNSUSNBU-UHFFFAOYSA-N 0 0 443.619 5.519 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccc(Br)c1 ZINC000009363784 569525918 /nfs/dbraw/zinc/52/59/18/569525918.db2.gz UTGGYAAUICQMEI-UHFFFAOYSA-N 0 0 434.746 5.287 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc(Br)cc1 ZINC000009363785 569525929 /nfs/dbraw/zinc/52/59/29/569525929.db2.gz NWRWPIINTOACTH-UHFFFAOYSA-N 0 0 434.746 5.287 50 0 IKAARN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000009363988 569525944 /nfs/dbraw/zinc/52/59/44/569525944.db2.gz XYPGXRHHXRLCNO-UHFFFAOYSA-N 0 0 439.924 5.183 50 0 IKAARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(Br)cc1 ZINC000009363757 569525960 /nfs/dbraw/zinc/52/59/60/569525960.db2.gz JRZVZKMXGGVTOP-UHFFFAOYSA-N 0 0 434.167 6.193 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000009363709 569525973 /nfs/dbraw/zinc/52/59/73/569525973.db2.gz QQMLRRCINZQACH-UHFFFAOYSA-N 0 0 426.994 7.228 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000009366832 569526261 /nfs/dbraw/zinc/52/62/61/569526261.db2.gz JNVCIKXIUQUADO-UHFFFAOYSA-N 0 0 444.340 5.294 50 0 IKAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009366862 569526270 /nfs/dbraw/zinc/52/62/70/569526270.db2.gz KIJNCQCDKQXFBA-UHFFFAOYSA-N 0 0 449.532 5.453 50 0 IKAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cc2ccccc2)cc1 ZINC000009366835 569526283 /nfs/dbraw/zinc/52/62/83/569526283.db2.gz WPPAMEFLJBATOT-UHFFFAOYSA-N 0 0 435.549 5.813 50 0 IKAARN Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3C[C@H]3CCCO3)cn2c1 ZINC000009367166 569526415 /nfs/dbraw/zinc/52/64/15/569526415.db2.gz OGYIZIJDOFXTQG-LJQANCHMSA-N 0 0 439.972 5.026 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009367791 569526524 /nfs/dbraw/zinc/52/65/24/569526524.db2.gz GLBPADIAXHQNHR-UHFFFAOYSA-N 0 0 427.525 6.511 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc(=O)c2ccccc2o1 ZINC000009368005 569526571 /nfs/dbraw/zinc/52/65/71/569526571.db2.gz GUYXSFGRAGFRAZ-UHFFFAOYSA-N 0 0 438.266 5.583 50 0 IKAARN CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3 ZINC000009369277 569526707 /nfs/dbraw/zinc/52/67/07/569526707.db2.gz BOKUXZVMYDGXDZ-UHFFFAOYSA-N 0 0 433.602 6.301 50 0 IKAARN Cc1cc2nnc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2c2ccccc12 ZINC000009373646 569527098 /nfs/dbraw/zinc/52/70/98/569527098.db2.gz MDFMMPVWEQNXRH-DUXBZUBYSA-N 0 0 434.609 5.004 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)c1 ZINC000009374440 569527157 /nfs/dbraw/zinc/52/71/57/569527157.db2.gz CDNXDCYGDKOOPL-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CSCC[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000009375330 569527232 /nfs/dbraw/zinc/52/72/32/569527232.db2.gz SHBWGUUOTUGGMU-QFIPXVFZSA-N 0 0 433.552 5.448 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(OC)cc1OC ZINC000009375620 569527270 /nfs/dbraw/zinc/52/72/70/569527270.db2.gz VBARKUHSBMWAHE-HSZRJFAPSA-N 0 0 435.501 6.641 50 0 IKAARN Cc1ccc(Nc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1C ZINC000009377093 569527472 /nfs/dbraw/zinc/52/74/72/569527472.db2.gz YSSCOOPSRIDEML-UHFFFAOYSA-N 0 0 438.534 5.575 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)n2C(C)C)cc1 ZINC000009377549 569527492 /nfs/dbraw/zinc/52/74/92/569527492.db2.gz NIAJWHGPDQUYRF-ASXFNGKXSA-N 0 0 439.625 5.801 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1OCc1cn2ccccc2n1 ZINC000009377589 569527493 /nfs/dbraw/zinc/52/74/93/569527493.db2.gz ARFQMEIQQQGJAF-UHFFFAOYSA-N 0 0 427.382 5.064 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(Cl)c4Cl)sc3n2)cc1 ZINC000009379929 569527754 /nfs/dbraw/zinc/52/77/54/569527754.db2.gz HPLZRZJIGCCCMV-UHFFFAOYSA-N 0 0 444.343 6.113 50 0 IKAARN c1ccc(Cc2nc3sc4c(c3c(Sc3nc5ccccc5[nH]3)n2)CCCC4)cc1 ZINC000009380232 569527927 /nfs/dbraw/zinc/52/79/27/569527927.db2.gz QYKPGWWYMFJOSY-UHFFFAOYSA-N 0 0 428.586 6.188 50 0 IKAARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccsc32)CC1 ZINC000070007246 569528000 /nfs/dbraw/zinc/52/80/00/569528000.db2.gz YRGIAHBLTDFEEV-OAQYLSRUSA-N 0 0 435.597 5.384 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CCCCC3)o2)cs1)c1cccc(Cl)c1 ZINC000070011428 569528067 /nfs/dbraw/zinc/52/80/67/569528067.db2.gz XTGUQJDZISKYGR-UHFFFAOYSA-N 0 0 449.001 6.204 50 0 IKAARN CCOc1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1OCC ZINC000009381063 569528085 /nfs/dbraw/zinc/52/80/85/569528085.db2.gz VWIHQODMVGQAMV-UHFFFAOYSA-N 0 0 436.936 5.022 50 0 IKAARN COc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CCCC4)sc2c1 ZINC000009381963 569528187 /nfs/dbraw/zinc/52/81/87/569528187.db2.gz PORALSUVIDDOHN-UHFFFAOYSA-N 0 0 449.626 7.266 50 0 IKAARN COc1cccc2sc(Nc3sc4c(c3-c3nc5ccccc5s3)CCCC4)nc21 ZINC000009381956 569528191 /nfs/dbraw/zinc/52/81/91/569528191.db2.gz IWHIMTCQZWYOPK-UHFFFAOYSA-N 0 0 449.626 7.266 50 0 IKAARN O=c1sc2ccccc2n1Cc1nnc(SCc2cccc(F)c2)n1-c1ccccc1 ZINC000009382820 569528317 /nfs/dbraw/zinc/52/83/17/569528317.db2.gz 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Cc1c(Cl)cccc1Nc1nnc(S[C@H](C)c2nc(-c3ccncc3)no2)s1 ZINC000009389831 569528550 /nfs/dbraw/zinc/52/85/50/569528550.db2.gz VAIAVMAKCUZDGJ-LLVKDONJSA-N 0 0 430.946 5.542 50 0 IKAARN C[C@H](NC(=O)CN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000009390308 569528669 /nfs/dbraw/zinc/52/86/69/569528669.db2.gz CULGIHAOBXRZFM-OALUTQOASA-N 0 0 449.982 5.463 50 0 IKAARN CC[C@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cccc(Cl)c1C ZINC000009390745 569528768 /nfs/dbraw/zinc/52/87/68/569528768.db2.gz LIHLQQNETDQXMK-AWEZNQCLSA-N 0 0 444.988 5.058 50 0 IKAARN O=C(Cc1cccs1)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 ZINC000009391002 569528848 /nfs/dbraw/zinc/52/88/48/569528848.db2.gz QILHLKMWMZAKCU-UHFFFAOYSA-N 0 0 433.558 5.654 50 0 IKAARN Cc1nc(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cs1 ZINC000070019600 569528853 /nfs/dbraw/zinc/52/88/53/569528853.db2.gz HKXWVYDPBHOGIP-FQEVSTJZSA-N 0 0 441.622 5.294 50 0 IKAARN CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009391172 569528895 /nfs/dbraw/zinc/52/88/95/569528895.db2.gz RTAWMFHSLIYQTH-VWLOTQADSA-N 0 0 449.620 5.432 50 0 IKAARN CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009391173 569528905 /nfs/dbraw/zinc/52/89/05/569528905.db2.gz RTAWMFHSLIYQTH-RUZDIDTESA-N 0 0 449.620 5.432 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000009391424 569528920 /nfs/dbraw/zinc/52/89/20/569528920.db2.gz HVFTVWDKZTZDAX-UHFFFAOYSA-N 0 0 434.333 5.811 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)c1ccco1)CC2 ZINC000009391325 569528929 /nfs/dbraw/zinc/52/89/29/569528929.db2.gz HKFAKKJCJVPRFN-JOCHJYFZSA-N 0 0 435.520 5.239 50 0 IKAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1OCC ZINC000009391592 569528964 /nfs/dbraw/zinc/52/89/64/569528964.db2.gz QIVRIDLINQXDHK-UHFFFAOYSA-N 0 0 443.956 5.322 50 0 IKAARN Cc1ccc(C)c(Cn2cc(SCc3ccc(C(F)(F)F)cc3)c3ccccc32)c1 ZINC000009391753 569528983 /nfs/dbraw/zinc/52/89/83/569528983.db2.gz FLVRUAVMQSCFCX-UHFFFAOYSA-N 0 0 425.519 7.618 50 0 IKAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1C(F)(F)F ZINC000009391684 569528984 /nfs/dbraw/zinc/52/89/84/569528984.db2.gz AHPINWHQLICMOY-UHFFFAOYSA-N 0 0 440.490 6.439 50 0 IKAARN Clc1ccc(CSc2cn(Cc3ccccc3Cl)c3ccccc23)cc1Cl ZINC000009391796 569528999 /nfs/dbraw/zinc/52/89/99/569528999.db2.gz QXCKSVNUOJMIOO-UHFFFAOYSA-N 0 0 432.803 7.942 50 0 IKAARN Cc1cccc(Cn2cc(SCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)c1 ZINC000009391734 569529000 /nfs/dbraw/zinc/52/90/00/569529000.db2.gz JYSPLQQDYBXHEK-UHFFFAOYSA-N 0 0 444.556 5.500 50 0 IKAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nc2ccccc2s1 ZINC000009391689 569529008 /nfs/dbraw/zinc/52/90/08/569529008.db2.gz ORMSNWURNVARKT-UHFFFAOYSA-N 0 0 429.570 6.030 50 0 IKAARN Cc1ccc(C(=O)NCCn2cc(SCc3ccc(Cl)cc3)c3ccccc32)cc1C ZINC000009391937 569529026 /nfs/dbraw/zinc/52/90/26/569529026.db2.gz RSFDNCBKSGZHSK-UHFFFAOYSA-N 0 0 449.019 6.634 50 0 IKAARN Cc1ccccc1CSc1cn(CCNC(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000009391896 569529037 /nfs/dbraw/zinc/52/90/37/569529037.db2.gz KGSGLXYOTQVFKW-UHFFFAOYSA-N 0 0 434.992 6.325 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)c(C)c1 ZINC000009394364 569529139 /nfs/dbraw/zinc/52/91/39/569529139.db2.gz HLNACHTWAWAQCD-UHFFFAOYSA-N 0 0 432.564 6.485 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1 ZINC000009394352 569529142 /nfs/dbraw/zinc/52/91/42/569529142.db2.gz SMLXHAYXEJJYFY-UHFFFAOYSA-N 0 0 446.591 6.902 50 0 IKAARN Cc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1Cl ZINC000009394360 569529146 /nfs/dbraw/zinc/52/91/46/569529146.db2.gz VHTICXATFFNXPM-UHFFFAOYSA-N 0 0 438.955 6.521 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nc2ccccc2c1=O ZINC000009402842 569529410 /nfs/dbraw/zinc/52/94/10/569529410.db2.gz RYRFCKTVFHLBAI-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN Cc1cc2nc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc43)sc2c(C)c1 ZINC000009402439 569529429 /nfs/dbraw/zinc/52/94/29/569529429.db2.gz YGRPCGSKTJOXTJ-UHFFFAOYSA-N 0 0 437.568 6.237 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)Nc1ccc2ccccc2c1 ZINC000009403193 569529476 /nfs/dbraw/zinc/52/94/76/569529476.db2.gz WZLVEWNKFQZCBI-UHFFFAOYSA-N 0 0 433.467 5.246 50 0 IKAARN CCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccccc1 ZINC000009403832 569529512 /nfs/dbraw/zinc/52/95/12/569529512.db2.gz ZDPJESOWMTZHEW-QHCPKHFHSA-N 0 0 440.547 5.336 50 0 IKAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(Br)cc1 ZINC000009404027 569529600 /nfs/dbraw/zinc/52/96/00/569529600.db2.gz POOLQMOAVYKMGV-UHFFFAOYSA-N 0 0 440.775 5.352 50 0 IKAARN Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000009404021 569529609 /nfs/dbraw/zinc/52/96/09/569529609.db2.gz KNNMDVBDHFCVKM-UHFFFAOYSA-N 0 0 425.457 5.143 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)c(C)c1 ZINC000009404440 569529653 /nfs/dbraw/zinc/52/96/53/569529653.db2.gz WZURKXXURPWWTK-UHFFFAOYSA-N 0 0 428.355 5.251 50 0 IKAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)c1 ZINC000009404439 569529675 /nfs/dbraw/zinc/52/96/75/569529675.db2.gz SLLUWNGWMRMWSD-UHFFFAOYSA-N 0 0 428.355 5.251 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(=O)c4ccccc4)cc2)CSC3)cc1 ZINC000009404500 569529707 /nfs/dbraw/zinc/52/97/07/569529707.db2.gz MGUVTVPUDSRSFO-UHFFFAOYSA-N 0 0 439.540 5.411 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(cc3c4c(cccc24)CC3)s1 ZINC000009404546 569529729 /nfs/dbraw/zinc/52/97/29/569529729.db2.gz OQQGCTNISHMPNV-UHFFFAOYSA-N 0 0 429.328 5.872 50 0 IKAARN CCOc1cc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc(OCC)c1OCC ZINC000009404797 569529784 /nfs/dbraw/zinc/52/97/84/569529784.db2.gz HXHRNDNVMGURFQ-UHFFFAOYSA-N 0 0 436.533 5.898 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000009407511 569530248 /nfs/dbraw/zinc/53/02/48/569530248.db2.gz XYKSSFLSCUNRGO-UHFFFAOYSA-N 0 0 448.363 5.026 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)NC[C@H](C)c5ccccc5)cc4sc3n2)cc1 ZINC000009406353 569530041 /nfs/dbraw/zinc/53/00/41/569530041.db2.gz NLNDRXOXBIBNRB-SFHVURJKSA-N 0 0 425.557 6.058 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCc5cccc(OC)c5)cc4sc3n2)cc1 ZINC000009406471 569530058 /nfs/dbraw/zinc/53/00/58/569530058.db2.gz DFOZSBSOGPFWCG-UHFFFAOYSA-N 0 0 441.556 5.717 50 0 IKAARN COc1cccc(-c2cn3c4ccc(C(=O)NCc5ccc(Cl)cc5)cc4sc3n2)c1 ZINC000009406508 569530065 /nfs/dbraw/zinc/53/00/65/569530065.db2.gz LAFVGVIROYJWAK-UHFFFAOYSA-N 0 0 447.947 5.808 50 0 IKAARN COc1ccc(-c2cn3c(n2)sc2cc(C(=O)Nc4cccc(Cl)c4C)ccc23)cc1 ZINC000009406408 569530068 /nfs/dbraw/zinc/53/00/68/569530068.db2.gz IFKTXXAMKIOIBB-UHFFFAOYSA-N 0 0 447.947 6.439 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@@H](C)[C@@H]5C)cc4sc3n2)cc1 ZINC000009406476 569530071 /nfs/dbraw/zinc/53/00/71/569530071.db2.gz RSLOJXHNUKSRHP-LLGFUMIMSA-N 0 0 431.605 6.333 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccc5Cl)cc4sc3n2)cc1 ZINC000009406464 569530079 /nfs/dbraw/zinc/53/00/79/569530079.db2.gz VITPLHOEQUSYKQ-UHFFFAOYSA-N 0 0 445.975 6.362 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NCc5ccc(F)cc5)cc4sc3n2)cc1 ZINC000009406420 569530083 /nfs/dbraw/zinc/53/00/83/569530083.db2.gz DRWFRYICMZHAHQ-UHFFFAOYSA-N 0 0 431.492 5.294 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406569 569530110 /nfs/dbraw/zinc/53/01/10/569530110.db2.gz SVWHEBLMZHSNFK-UHFFFAOYSA-N 0 0 449.938 5.981 50 0 IKAARN CCOc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406623 569530113 /nfs/dbraw/zinc/53/01/13/569530113.db2.gz ODLWWMXELXXUEF-OXQOHEQNSA-N 0 0 433.577 5.923 50 0 IKAARN CCOc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@H](C)[C@@H]5C)cc4sc3n2)cc1 ZINC000009406625 569530115 /nfs/dbraw/zinc/53/01/15/569530115.db2.gz RPPDCAROKWWADW-XGHQBKJUSA-N 0 0 447.604 6.169 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)NCc5cccc(Cl)c5)cc4sc3n2)c(C)c1 ZINC000009406653 569530141 /nfs/dbraw/zinc/53/01/41/569530141.db2.gz PKEZKNYIWHDEHQ-UHFFFAOYSA-N 0 0 445.975 6.416 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3C)cn21 ZINC000009406661 569530149 /nfs/dbraw/zinc/53/01/49/569530149.db2.gz OCQGSCHLIJYBQL-UHFFFAOYSA-N 0 0 441.556 5.771 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccc5C)cc4sc3n2)c(C)c1 ZINC000009406669 569530155 /nfs/dbraw/zinc/53/01/55/569530155.db2.gz JZYPKVVIFQDTBN-UHFFFAOYSA-N 0 0 425.557 6.071 50 0 IKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3C)c3n2CCCCC3)cc1 ZINC000009406734 569530177 /nfs/dbraw/zinc/53/01/77/569530177.db2.gz MHHSTIKNVUVNIC-UHFFFAOYSA-N 0 0 438.369 5.908 50 0 IKAARN Cc1ccc(C)c(N(C)C(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000009407705 569530267 /nfs/dbraw/zinc/53/02/67/569530267.db2.gz CTWIZHSDDNJQMT-UHFFFAOYSA-N 0 0 431.966 5.249 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccc(F)cc1 ZINC000009407698 569530268 /nfs/dbraw/zinc/53/02/68/569530268.db2.gz AIMSJKIDOLTJFV-UHFFFAOYSA-N 0 0 449.956 5.552 50 0 IKAARN CCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1F ZINC000009407694 569530291 /nfs/dbraw/zinc/53/02/91/569530291.db2.gz SXWUHKLUUGNYCL-UHFFFAOYSA-N 0 0 435.929 5.162 50 0 IKAARN COc1cc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)cc(OC)c1OC ZINC000009407735 569530295 /nfs/dbraw/zinc/53/02/95/569530295.db2.gz CDIRQZUWCAUVHO-UHFFFAOYSA-N 0 0 447.965 5.952 50 0 IKAARN COc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C ZINC000009408018 569530456 /nfs/dbraw/zinc/53/04/56/569530456.db2.gz QHLJKSZUQDMUHQ-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N[C@@H](C)c3cccs3)c(C)c12 ZINC000009408019 569530459 /nfs/dbraw/zinc/53/04/59/569530459.db2.gz JFVTVCOJPGZFPH-SFHVURJKSA-N 0 0 432.593 5.526 50 0 IKAARN CCOc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C ZINC000009408017 569530462 /nfs/dbraw/zinc/53/04/62/569530462.db2.gz YZBOTLCDAZKQMO-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCCc3ccccc3)c(C)c12 ZINC000009408505 569530605 /nfs/dbraw/zinc/53/06/05/569530605.db2.gz HAIHIOCPFUVFPY-UHFFFAOYSA-N 0 0 440.591 5.254 50 0 IKAARN CCCN(c1ccccc1F)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408778 569530671 /nfs/dbraw/zinc/53/06/71/569530671.db2.gz ZRRTXXGARHYGJK-HSZRJFAPSA-N 0 0 446.975 5.415 50 0 IKAARN Cc1cccc(C)c1N(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408781 569530699 /nfs/dbraw/zinc/53/06/99/569530699.db2.gz RULFEJKLQDSZJQ-QFIPXVFZSA-N 0 0 428.985 5.113 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O ZINC000009408861 569530706 /nfs/dbraw/zinc/53/07/06/569530706.db2.gz BCOIODGEMVURSC-QFIPXVFZSA-N 0 0 439.559 5.621 50 0 IKAARN COc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccc(F)cc4)n4ccccc34)n2)cc1 ZINC000009408787 569530711 /nfs/dbraw/zinc/53/07/11/569530711.db2.gz FHXRXZHITJDJMH-UHFFFAOYSA-N 0 0 443.503 5.691 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccc(Cl)cc1 ZINC000009408858 569530715 /nfs/dbraw/zinc/53/07/15/569530715.db2.gz JIAZQMJOFIPQAW-AQDCRGGLSA-N 0 0 427.935 5.924 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccc(Cl)cc1 ZINC000009408859 569530735 /nfs/dbraw/zinc/53/07/35/569530735.db2.gz JIAZQMJOFIPQAW-ZGBFETHSSA-N 0 0 427.935 5.924 50 0 IKAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000009409135 569530862 /nfs/dbraw/zinc/53/08/62/569530862.db2.gz VRPKPEVLKRSJTJ-RUZDIDTESA-N 0 0 433.552 5.266 50 0 IKAARN CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 ZINC000009409260 569530999 /nfs/dbraw/zinc/53/09/99/569530999.db2.gz XWOSZTWEQGYXLG-VWLOTQADSA-N 0 0 433.552 5.697 50 0 IKAARN c1csc(-c2noc(CSc3nnc(CCc4ccccc4)n3-c3ccccc3)n2)c1 ZINC000009409430 569531018 /nfs/dbraw/zinc/53/10/18/569531018.db2.gz LWGUFUAHJZZDGO-UHFFFAOYSA-N 0 0 445.573 5.456 50 0 IKAARN CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2)cc1O ZINC000009409598 569531064 /nfs/dbraw/zinc/53/10/64/569531064.db2.gz WVWWGLKFVWLYQD-UHFFFAOYSA-N 0 0 429.476 5.201 50 0 IKAARN COc1ccc(Nc2ccc3c(c2)occ(-c2ccc(OC)c(OC)c2)c3=O)c(OC)c1 ZINC000009409563 569531066 /nfs/dbraw/zinc/53/10/66/569531066.db2.gz IVMHROGXLWEUCA-UHFFFAOYSA-N 0 0 433.460 5.238 50 0 biogenic IKAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3c(C)nn(-c4ccccc4)c3s1)CC2 ZINC000009409787 569531110 /nfs/dbraw/zinc/53/11/10/569531110.db2.gz BVMJKYRIZBSVLQ-INIZCTEOSA-N 0 0 447.560 5.172 50 0 IKAARN CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000009409756 569531121 /nfs/dbraw/zinc/53/11/21/569531121.db2.gz GMJJYHDKRJJYHY-UHFFFAOYSA-N 0 0 432.451 5.758 50 0 IKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC ZINC000009409912 569531229 /nfs/dbraw/zinc/53/12/29/569531229.db2.gz GODUUNVMCQHWDN-UHFFFAOYSA-N 0 0 431.488 5.927 50 0 IKAARN CCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000009410050 569531236 /nfs/dbraw/zinc/53/12/36/569531236.db2.gz MVYPNTSOCLAGCK-UHFFFAOYSA-N 0 0 444.487 5.639 50 0 IKAARN COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 ZINC000009410159 569531283 /nfs/dbraw/zinc/53/12/83/569531283.db2.gz RQVBBMIXWPYYBB-UHFFFAOYSA-N 0 0 436.895 6.124 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)n1Cc1ccccc1 ZINC000009412500 569531567 /nfs/dbraw/zinc/53/15/67/569531567.db2.gz KGQUFSATJGFEHP-XMMPIXPASA-N 0 0 442.588 5.724 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000009412474 569531623 /nfs/dbraw/zinc/53/16/23/569531623.db2.gz VCWBSSYKXCDGFV-IAGOWNOFSA-N 0 0 445.654 5.110 50 0 IKAARN CCn1cnnc1SCC(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cccc(C)c1 ZINC000009412972 569531630 /nfs/dbraw/zinc/53/16/30/569531630.db2.gz OBJMNNYHGUXJRU-UHFFFAOYSA-N 0 0 449.605 5.495 50 0 IKAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc(C2CCCCC2)cc1 ZINC000009413053 569531679 /nfs/dbraw/zinc/53/16/79/569531679.db2.gz OVAVFUYKHKUIJT-QFIPXVFZSA-N 0 0 436.533 5.605 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnc(-c2cccs2)o1 ZINC000009412855 569531680 /nfs/dbraw/zinc/53/16/80/569531680.db2.gz HGWIKQPVFNRDOJ-CYBMUJFWSA-N 0 0 425.583 5.744 50 0 IKAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc2ccccc2c1 ZINC000009413673 569531852 /nfs/dbraw/zinc/53/18/52/569531852.db2.gz HJZVPXWQAGIKFG-UHFFFAOYSA-N 0 0 436.467 6.099 50 0 IKAARN O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)c1cc(Cl)ccc1Cl ZINC000009413856 569531880 /nfs/dbraw/zinc/53/18/80/569531880.db2.gz GLNMCHNRRCJTDH-UHFFFAOYSA-N 0 0 443.261 6.383 50 0 IKAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000009413960 569531897 /nfs/dbraw/zinc/53/18/97/569531897.db2.gz OMTVAEQJCXETTO-LUAWRHEFSA-N 0 0 444.418 5.205 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)cc1 ZINC000009414041 569531961 /nfs/dbraw/zinc/53/19/61/569531961.db2.gz RHYHGWAPNGRKNH-UHFFFAOYSA-N 0 0 434.879 5.990 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000009414320 569532026 /nfs/dbraw/zinc/53/20/26/569532026.db2.gz FCBOHNTYINXHAG-LCYFTJDESA-N 0 0 440.455 5.374 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000009414317 569532031 /nfs/dbraw/zinc/53/20/31/569532031.db2.gz SARRXGGNABHKAU-UHFFFAOYSA-N 0 0 438.405 6.265 50 0 IKAARN COc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1Br ZINC000009415588 569532208 /nfs/dbraw/zinc/53/22/08/569532208.db2.gz XIWDFWARZSBRMD-UHFFFAOYSA-N 0 0 436.400 5.329 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 ZINC000009415923 569532293 /nfs/dbraw/zinc/53/22/93/569532293.db2.gz PWTZZNWPJANHPT-NRFANRHFSA-N 0 0 432.549 5.165 50 0 IKAARN CC(C)n1nc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c2ccccc2c1=O ZINC000009417239 569532396 /nfs/dbraw/zinc/53/23/96/569532396.db2.gz GVSKXKJHRUMDPS-UHFFFAOYSA-N 0 0 430.942 5.068 50 0 IKAARN CSc1ccc([C@@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000009419821 569532605 /nfs/dbraw/zinc/53/26/05/569532605.db2.gz LNEYZFDJCXEEOF-IBGZPJMESA-N 0 0 444.423 6.622 50 0 IKAARN O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 ZINC000009423785 569533037 /nfs/dbraw/zinc/53/30/37/569533037.db2.gz AWOZAULREWWANR-UHFFFAOYSA-N 0 0 427.529 5.388 50 0 IKAARN CCCSc1nc2sc3c(c2c(SCC(=O)OCC)n1)C[C@](C)(CC)OC3 ZINC000009424516 569533163 /nfs/dbraw/zinc/53/31/63/569533163.db2.gz FUWCENLFVZULKM-IBGZPJMESA-N 0 0 426.629 5.090 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000009425665 569533247 /nfs/dbraw/zinc/53/32/47/569533247.db2.gz ZHZOLYRYCVTIHM-UHFFFAOYSA-N 0 0 437.685 6.291 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000009425676 569533277 /nfs/dbraw/zinc/53/32/77/569533277.db2.gz UPTFSSJRMKXPAB-UHFFFAOYSA-N 0 0 444.622 5.228 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000009427466 569533369 /nfs/dbraw/zinc/53/33/69/569533369.db2.gz UONAXVFEOPZDPQ-UHFFFAOYSA-N 0 0 446.934 5.736 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3cccc(C)c3C)cc2c1 ZINC000009427857 569533444 /nfs/dbraw/zinc/53/34/44/569533444.db2.gz ZWNJLGMANXPDCA-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN COc1ccc2oc(=O)c(-c3nc4ccc(Cl)cc4c(-c4ccccc4Cl)n3)cc2c1 ZINC000390829726 569533541 /nfs/dbraw/zinc/53/35/41/569533541.db2.gz GDUZDPOBGWKGCR-UHFFFAOYSA-N 0 0 449.293 6.386 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2C)c1 ZINC000009428534 569533567 /nfs/dbraw/zinc/53/35/67/569533567.db2.gz BGXMWDXHDNOKTG-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN CC1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009428663 569533571 /nfs/dbraw/zinc/53/35/71/569533571.db2.gz ZCCQDUWQCGXNAB-ZWZMAAFHSA-N 0 0 445.788 6.552 50 0 IKAARN CC1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009428662 569533573 /nfs/dbraw/zinc/53/35/73/569533573.db2.gz ZCCQDUWQCGXNAB-HXYQTYRISA-N 0 0 445.788 6.552 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 ZINC000390828701 569533581 /nfs/dbraw/zinc/53/35/81/569533581.db2.gz BQOZKVMHORAVLG-MRXNPFEDSA-N 0 0 428.897 5.088 50 0 IKAARN O=C(Oc1cc2sc(=O)oc2c(-c2ccc(Br)cc2)c1)c1cccs1 ZINC000009430740 569533985 /nfs/dbraw/zinc/53/39/85/569533985.db2.gz XGPPNYQWYSAUNC-UHFFFAOYSA-N 0 0 433.304 5.565 50 0 IKAARN COc1cccc(-c2cc(OC(=O)COc3ccc(Cl)cc3)cc3sc(=O)oc32)c1 ZINC000009430768 569533993 /nfs/dbraw/zinc/53/39/93/569533993.db2.gz DUTCWPGMZGAJOR-UHFFFAOYSA-N 0 0 442.876 5.168 50 0 IKAARN CCC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc21 ZINC000009431198 569534087 /nfs/dbraw/zinc/53/40/87/569534087.db2.gz IPDXEILIVCEKTP-UHFFFAOYSA-N 0 0 436.439 5.262 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1oc3ccccc3c1C)CC2 ZINC000009431212 569534089 /nfs/dbraw/zinc/53/40/89/569534089.db2.gz XMLIUWXLUOFEKU-RUZDIDTESA-N 0 0 427.500 5.546 50 0 IKAARN Cc1ccc(C(C)C)cc1OCc1nc2c3cnn(-c4ccc(Cl)cc4)c3ncn2n1 ZINC000009431267 569534103 /nfs/dbraw/zinc/53/41/03/569534103.db2.gz LSIYEBSKYROBOM-UHFFFAOYSA-N 0 0 432.915 5.127 50 0 IKAARN Cc1ccc2cc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000009431072 569534116 /nfs/dbraw/zinc/53/41/16/569534116.db2.gz BVQFJCCZFVWXMH-UHFFFAOYSA-N 0 0 432.545 5.261 50 0 IKAARN COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3ccc(C)cc3)cc2c1 ZINC000009431091 569534119 /nfs/dbraw/zinc/53/41/19/569534119.db2.gz GDCKZNHKHHUSNB-UHFFFAOYSA-N 0 0 432.907 5.758 50 0 IKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccco1)Cc1ccccc1Cl ZINC000009431932 569534296 /nfs/dbraw/zinc/53/42/96/569534296.db2.gz OIXGJJNNIQXROG-UHFFFAOYSA-N 0 0 428.315 6.792 50 0 IKAARN CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1)c1ccccc1C ZINC000009432666 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CCCCCCc1cc2cc(-c3csc(Nc4cccc(C)c4C)n3)c(=O)oc2cc1O ZINC000009434410 569534675 /nfs/dbraw/zinc/53/46/75/569534675.db2.gz DGVXEWDDUFAGIH-UHFFFAOYSA-N 0 0 448.588 7.105 50 0 IKAARN Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000009434830 569534757 /nfs/dbraw/zinc/53/47/57/569534757.db2.gz JBKBHBGDHHSEKP-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN CCN(C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12)c1cc(C)ccc1C ZINC000009438845 569534999 /nfs/dbraw/zinc/53/49/99/569534999.db2.gz AFDUUYYHNIBXIJ-UHFFFAOYSA-N 0 0 426.516 5.283 50 0 IKAARN CCOc1ccc(N(CC)C(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)cc1 ZINC000009438827 569535003 /nfs/dbraw/zinc/53/50/03/569535003.db2.gz ZBKDPGMSNMBUOZ-UHFFFAOYSA-N 0 0 442.515 5.065 50 0 IKAARN COc1cccc(-n2cc(C(=O)N(Cc3ccccc3)C(C)C)c3ccccc3c2=O)c1 ZINC000009438947 569535013 /nfs/dbraw/zinc/53/50/13/569535013.db2.gz XUOJRIUWJLTZSP-UHFFFAOYSA-N 0 0 426.516 5.050 50 0 IKAARN COc1cccc(-n2cc(C(=O)N(C)c3cc(Cl)ccc3C)c3ccccc3c2=O)c1 ZINC000009438819 569535015 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CCc1cccc(CC)c1NC(=O)[C@H](CC)Sc1nnc(CC)n2c3ccoc3cc12 ZINC000009443011 569535651 /nfs/dbraw/zinc/53/56/51/569535651.db2.gz RLBPUTGEIDXHJQ-FQEVSTJZSA-N 0 0 436.581 5.672 50 0 IKAARN CCOc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1OCC ZINC000009442848 569535668 /nfs/dbraw/zinc/53/56/68/569535668.db2.gz LPJMILZHIOPLMO-UHFFFAOYSA-N 0 0 446.576 5.727 50 0 IKAARN O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000009443892 569535685 /nfs/dbraw/zinc/53/56/85/569535685.db2.gz WQLLZXBCRMUMOE-BQYQJAHWSA-N 0 0 438.315 5.128 50 0 IKAARN COc1ccc(C2=NN(C(=O)CSC3CCCCC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000009443996 569535689 /nfs/dbraw/zinc/53/56/89/569535689.db2.gz ISZXFOAJUXCDAM-DEOSSOPVSA-N 0 0 438.593 5.447 50 0 IKAARN Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)N(c1ccccc1)C(C)C ZINC000009443605 569535692 /nfs/dbraw/zinc/53/56/92/569535692.db2.gz UJVOPMIALWQFAW-UHFFFAOYSA-N 0 0 441.600 6.381 50 0 IKAARN CCc1nnc(SCc2nc(-c3ccccc3Cl)oc2C)c2cc3oc(C)cc3n21 ZINC000009443042 569535725 /nfs/dbraw/zinc/53/57/25/569535725.db2.gz 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O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009448946 569536093 /nfs/dbraw/zinc/53/60/93/569536093.db2.gz SYNLTPQGYOYYOG-UHFFFAOYSA-N 0 0 437.849 5.268 50 0 IKAARN Cc1ccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000009448614 569536107 /nfs/dbraw/zinc/53/61/07/569536107.db2.gz OJXRDCGRNXLVTC-UHFFFAOYSA-N 0 0 433.577 5.058 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)no1 ZINC000009449245 569536156 /nfs/dbraw/zinc/53/61/56/569536156.db2.gz NRDWGFCMZPOHMW-UHFFFAOYSA-N 0 0 439.924 5.514 50 0 IKAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009451036 569536319 /nfs/dbraw/zinc/53/63/19/569536319.db2.gz HCCFJINRVKYPDP-OAQYLSRUSA-N 0 0 440.480 5.161 50 0 IKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000009450780 569536341 /nfs/dbraw/zinc/53/63/41/569536341.db2.gz FWAZAVDQQRWZQW-QFIPXVFZSA-N 0 0 448.906 5.924 50 0 IKAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009451038 569536362 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O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000009459906 569536870 /nfs/dbraw/zinc/53/68/70/569536870.db2.gz UZUTUIMBJYIUBQ-UHFFFAOYSA-N 0 0 436.515 5.155 50 0 IKAARN Cc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c(O)c1C ZINC000009460939 569537033 /nfs/dbraw/zinc/53/70/33/569537033.db2.gz HBJQGAJEPJHYOE-SANMLTNESA-N 0 0 443.587 5.396 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c(Cl)c1 ZINC000009461815 569537134 /nfs/dbraw/zinc/53/71/34/569537134.db2.gz HUKUYZMGWQOHOH-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN Cc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c(C)c1 ZINC000009461868 569537149 /nfs/dbraw/zinc/53/71/49/569537149.db2.gz PGQVZPIIJWLUAR-UHFFFAOYSA-N 0 0 429.321 6.015 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)cc1 ZINC000009461727 569537153 /nfs/dbraw/zinc/53/71/53/569537153.db2.gz CFMOVGPERZQYDO-UHFFFAOYSA-N 0 0 426.516 5.391 50 0 IKAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)NCc3ccccc3)c2c2c1CCC2 ZINC000009461911 569537155 /nfs/dbraw/zinc/53/71/55/569537155.db2.gz OHPXRPKBPCLNBU-UHFFFAOYSA-N 0 0 448.617 5.260 50 0 IKAARN O=c1c2c(-c3ccccc3)csc2nc(SC[C@@H]2CCOCO2)n1C1CCCC1 ZINC000009461838 569537163 /nfs/dbraw/zinc/53/71/63/569537163.db2.gz LKFYZGPRGJZHFY-KRWDZBQOSA-N 0 0 428.579 5.095 50 0 IKAARN O=C(c1ccccc1Br)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000009461875 569537181 /nfs/dbraw/zinc/53/71/81/569537181.db2.gz QFQZPOYENUPJFI-UHFFFAOYSA-N 0 0 433.305 5.138 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009462363 569537232 /nfs/dbraw/zinc/53/72/32/569537232.db2.gz KESVBGWDEVVRES-INIZCTEOSA-N 0 0 436.606 5.164 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3C)c(=O)[nH]c2c1 ZINC000009462558 569537278 /nfs/dbraw/zinc/53/72/78/569537278.db2.gz SCWCSFKTEOLMKF-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cc(Cl)ccc1Cl ZINC000009464544 569537738 /nfs/dbraw/zinc/53/77/38/569537738.db2.gz ORKUSYVMIJBALX-UHFFFAOYSA-N 0 0 439.393 5.303 50 0 IKAARN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1)c1cccs1 ZINC000009463028 569537336 /nfs/dbraw/zinc/53/73/36/569537336.db2.gz MXIQATQUZXLMRA-FQEVSTJZSA-N 0 0 448.544 5.139 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCCC3)cc2c1 ZINC000009462765 569537399 /nfs/dbraw/zinc/53/73/99/569537399.db2.gz OEZFIRSMYOPKGW-UHFFFAOYSA-N 0 0 430.592 6.109 50 0 IKAARN Cc1ccc(C)c(NC(=O)Cc2nc(COc3ccc(F)cc3Br)cs2)c1 ZINC000009463564 569537478 /nfs/dbraw/zinc/53/74/78/569537478.db2.gz DHHZTUBZSQGNIH-UHFFFAOYSA-N 0 0 449.345 5.422 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 ZINC000009463694 569537516 /nfs/dbraw/zinc/53/75/16/569537516.db2.gz BYLQPDGGNYPKOA-WIYYLYMNSA-N 0 0 445.263 5.871 50 0 IKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 ZINC000009463779 569537542 /nfs/dbraw/zinc/53/75/42/569537542.db2.gz YXYCLRDQNZHQKU-DYVFJYSZSA-N 0 0 431.483 5.323 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000009464104 569537579 /nfs/dbraw/zinc/53/75/79/569537579.db2.gz ALHRXEXMUXMKJY-UHFFFAOYSA-N 0 0 442.496 5.315 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl ZINC000009464265 569537620 /nfs/dbraw/zinc/53/76/20/569537620.db2.gz ITCNSWHEKIJBSQ-HSZRJFAPSA-N 0 0 433.939 5.333 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000009465757 569538050 /nfs/dbraw/zinc/53/80/50/569538050.db2.gz UJJLNTJLZZROGE-UHFFFAOYSA-N 0 0 434.492 5.093 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(C)c(C)n1C1CCCC1)c1ccccc1 ZINC000009467428 569538355 /nfs/dbraw/zinc/53/83/55/569538355.db2.gz WOTGAUGTEPNMOX-DEOSSOPVSA-N 0 0 449.620 6.404 50 0 IKAARN COc1ccccc1NC(=O)C(=Cc1ccc(SC)cc1)C(=O)Nc1ccccc1OC ZINC000009467332 569538366 /nfs/dbraw/zinc/53/83/66/569538366.db2.gz HGGNVIQKOGXPOM-UHFFFAOYSA-N 0 0 448.544 5.087 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(C)c(C)n1C1CCCC1)c1ccccc1 ZINC000009467426 569538381 /nfs/dbraw/zinc/53/83/81/569538381.db2.gz WOTGAUGTEPNMOX-XMMPIXPASA-N 0 0 449.620 6.404 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000009467414 569538403 /nfs/dbraw/zinc/53/84/03/569538403.db2.gz FMJWODKLJWMEFV-INIZCTEOSA-N 0 0 442.953 5.341 50 0 IKAARN COc1cc(Br)c(CSc2nnc(C3CC3)n2-c2ccccc2)cc1OC ZINC000009469470 569538780 /nfs/dbraw/zinc/53/87/80/569538780.db2.gz RGNZMZJMWKUWCC-UHFFFAOYSA-N 0 0 446.370 5.217 50 0 IKAARN C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009469617 569538852 /nfs/dbraw/zinc/53/88/52/569538852.db2.gz KFEZBUMUBUOSPO-MRXNPFEDSA-N 0 0 445.544 5.097 50 0 IKAARN COc1ccc(C)cc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000009469948 569538874 /nfs/dbraw/zinc/53/88/74/569538874.db2.gz JFLHUZSVZXCIMM-HXUWFJFHSA-N 0 0 429.476 5.133 50 0 IKAARN CC(C)CCSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1 ZINC000009473801 569539042 /nfs/dbraw/zinc/53/90/42/569539042.db2.gz HEFWNORMBALPEV-UHFFFAOYSA-N 0 0 449.620 5.255 50 0 IKAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N(C)C1CCCCC1 ZINC000009477146 569539132 /nfs/dbraw/zinc/53/91/32/569539132.db2.gz GOYHEVCMOQWBFE-HNNXBMFYSA-N 0 0 449.020 5.117 50 0 IKAARN Cc1ccc(C)c(-n2c(SCc3cccc(F)c3)nnc2-c2cc3sccc3n2C)c1 ZINC000009477741 569539223 /nfs/dbraw/zinc/53/92/23/569539223.db2.gz XFVWFDYWNHYXGT-UHFFFAOYSA-N 0 0 448.592 6.536 50 0 IKAARN CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1-c1ccco1 ZINC000009477704 569539231 /nfs/dbraw/zinc/53/92/31/569539231.db2.gz APKFGSFARLRRHC-NRFANRHFSA-N 0 0 446.532 5.233 50 0 IKAARN O=C([C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1)N1CCCC1 ZINC000009478090 569539299 /nfs/dbraw/zinc/53/92/99/569539299.db2.gz NUAYLNKENCQORS-QFIPXVFZSA-N 0 0 443.576 5.217 50 0 IKAARN CC(=O)Nc1nc(-c2ccc(C)cc2)c(NC(=O)c2ccc(Br)cc2)s1 ZINC000009482846 569539485 /nfs/dbraw/zinc/53/94/85/569539485.db2.gz CKZGTUSKGCDUAU-UHFFFAOYSA-N 0 0 430.327 5.092 50 0 IKAARN CCc1ccccc1NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(OC)cc1)c2=O ZINC000009484620 569539542 /nfs/dbraw/zinc/53/95/42/569539542.db2.gz ZEMWXJNGBVMYMF-UHFFFAOYSA-N 0 0 443.499 5.357 50 0 biogenic IKAARN O=C(Nc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cccs1)c1ccco1 ZINC000009485956 569539601 /nfs/dbraw/zinc/53/96/01/569539601.db2.gz BQYCEEVLHBHYDZ-UHFFFAOYSA-N 0 0 429.910 5.623 50 0 IKAARN COc1cccc(-c2csc(N3N=C(C)C[C@@H]3c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000009485785 569539611 /nfs/dbraw/zinc/53/96/11/569539611.db2.gz BQNMVLPWKRPPIZ-LJQANCHMSA-N 0 0 439.537 5.172 50 0 IKAARN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccco3)sc2c1 ZINC000009487375 569539691 /nfs/dbraw/zinc/53/96/91/569539691.db2.gz SUYWZCDELFKWRK-FQEVSTJZSA-N 0 0 444.468 5.144 50 0 IKAARN Cc1ccc(-c2nc3c(c(SCC(=O)c4ccc(Cl)cc4)n2)COC(C)(C)C3)cc1 ZINC000009488332 569539894 /nfs/dbraw/zinc/53/98/94/569539894.db2.gz HUPJDAZHGGDDKD-UHFFFAOYSA-N 0 0 438.980 5.932 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000009489836 569540013 /nfs/dbraw/zinc/54/00/13/569540013.db2.gz RTLVCIBOBFZNDW-CYBMUJFWSA-N 0 0 436.722 6.845 50 0 IKAARN CCCCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CSCc1cccc(Cl)c1)N2 ZINC000009490594 569540207 /nfs/dbraw/zinc/54/02/07/569540207.db2.gz FYACFCYXMRISJQ-NRFANRHFSA-N 0 0 446.016 5.316 50 0 IKAARN Cc1nc2cc(C(=O)N3CCc4ccccc43)ccc2n1-c1ccc(Br)cc1 ZINC000009490763 569540301 /nfs/dbraw/zinc/54/03/01/569540301.db2.gz UIOGXAKIHZBWTJ-UHFFFAOYSA-N 0 0 432.321 5.299 50 0 IKAARN CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000009493869 569540801 /nfs/dbraw/zinc/54/08/01/569540801.db2.gz IJXWKZRIJOQUCL-PXAZEXFGSA-N 0 0 438.380 5.248 50 0 IKAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2cccs2)n1 ZINC000009494070 569540854 /nfs/dbraw/zinc/54/08/54/569540854.db2.gz GKOFZDSUQXBNSL-XMMPIXPASA-N 0 0 445.569 5.062 50 0 IKAARN Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)Cc2cccs2)c1C ZINC000009494152 569540888 /nfs/dbraw/zinc/54/08/88/569540888.db2.gz HVXUBOYDHQRFTN-UHFFFAOYSA-N 0 0 435.593 5.061 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009494865 569540944 /nfs/dbraw/zinc/54/09/44/569540944.db2.gz ISJHRKJMZOCADQ-UHFFFAOYSA-N 0 0 428.847 5.736 50 0 IKAARN COc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)c1 ZINC000009495156 569540977 /nfs/dbraw/zinc/54/09/77/569540977.db2.gz JQCQOPSIUBRWOW-LJQANCHMSA-N 0 0 425.282 5.042 50 0 IKAARN CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 ZINC000009495519 569541072 /nfs/dbraw/zinc/54/10/72/569541072.db2.gz YMIHNENYYYZRHG-HXUWFJFHSA-N 0 0 441.000 5.635 50 0 IKAARN C[C@@H]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc2S1 ZINC000009495547 569541085 /nfs/dbraw/zinc/54/10/85/569541085.db2.gz GNIHEJJHOLKQCQ-CQSZACIVSA-N 0 0 442.635 5.351 50 0 IKAARN C[C@H]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc2S1 ZINC000009495550 569541112 /nfs/dbraw/zinc/54/11/12/569541112.db2.gz GNIHEJJHOLKQCQ-AWEZNQCLSA-N 0 0 442.635 5.351 50 0 IKAARN CN(C)C(=O)[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 ZINC000009495522 569541116 /nfs/dbraw/zinc/54/11/16/569541116.db2.gz YMIHNENYYYZRHG-FQEVSTJZSA-N 0 0 441.000 5.635 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000009496691 569541207 /nfs/dbraw/zinc/54/12/07/569541207.db2.gz WAERNMHOLFRCIF-HNNXBMFYSA-N 0 0 438.940 5.359 50 0 IKAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1 ZINC000009496388 569541209 /nfs/dbraw/zinc/54/12/09/569541209.db2.gz ASSDUXVQXPCGBO-CQSZACIVSA-N 0 0 445.548 5.083 50 0 IKAARN COCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009496862 569541293 /nfs/dbraw/zinc/54/12/93/569541293.db2.gz BLIINOXBUCMCIS-UHFFFAOYSA-N 0 0 446.642 5.070 50 0 IKAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)n[nH]2)cc1 ZINC000009498722 569541383 /nfs/dbraw/zinc/54/13/83/569541383.db2.gz LRWZYXWWSLZINR-KRWDZBQOSA-N 0 0 428.561 5.820 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCc2cccc(Br)c2)[C@@H]1C ZINC000009498463 569541386 /nfs/dbraw/zinc/54/13/86/569541386.db2.gz RYRTWXGEVFVVKM-SPYBWZPUSA-N 0 0 433.415 5.691 50 0 IKAARN CCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCc2ccccc2)cc1 ZINC000009500242 569541489 /nfs/dbraw/zinc/54/14/89/569541489.db2.gz PVXCIXYOAMOBAQ-RQZHXJHFSA-N 0 0 430.573 6.099 50 0 IKAARN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)o1 ZINC000009500546 569541581 /nfs/dbraw/zinc/54/15/81/569541581.db2.gz NQTRTAFQSDUNDQ-CHWSQXEVSA-N 0 0 436.364 5.710 50 0 IKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)N(c1ccccc1)C1CCCCC1 ZINC000009500721 569541584 /nfs/dbraw/zinc/54/15/84/569541584.db2.gz DWMBTFKCHZNBKJ-UHFFFAOYSA-N 0 0 432.549 5.676 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000009501060 569541629 /nfs/dbraw/zinc/54/16/29/569541629.db2.gz YBLKZOBECSCVFP-SNVBAGLBSA-N 0 0 439.393 5.768 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000009501789 569541682 /nfs/dbraw/zinc/54/16/82/569541682.db2.gz ZILMKRAACDAHPZ-IBGZPJMESA-N 0 0 447.560 5.500 50 0 IKAARN CC(=O)Nc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 ZINC000009503344 569541769 /nfs/dbraw/zinc/54/17/69/569541769.db2.gz PHCPILRFARXPOH-SFHVURJKSA-N 0 0 441.603 5.238 50 0 IKAARN Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4ccccc4Cl)c12)CCC3 ZINC000009504691 569541829 /nfs/dbraw/zinc/54/18/29/569541829.db2.gz MEXCLCZYUHFPBS-UHFFFAOYSA-N 0 0 433.964 5.618 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000009504675 569541849 /nfs/dbraw/zinc/54/18/49/569541849.db2.gz FZPGLTFKUUHMAB-CQSZACIVSA-N 0 0 436.577 6.470 50 0 IKAARN CC[C@@H](NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)c1ccc(C)cc1 ZINC000009507621 569542073 /nfs/dbraw/zinc/54/20/73/569542073.db2.gz PPYCYVSSZKKEEL-OAQYLSRUSA-N 0 0 438.597 5.203 50 0 IKAARN CCOc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000009507753 569542138 /nfs/dbraw/zinc/54/21/38/569542138.db2.gz ILODYJBBIJAANR-LJQANCHMSA-N 0 0 434.565 5.476 50 0 IKAARN CCOc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000009507751 569542152 /nfs/dbraw/zinc/54/21/52/569542152.db2.gz ILODYJBBIJAANR-IBGZPJMESA-N 0 0 434.565 5.476 50 0 IKAARN Cc1ccc(-n2nnnc2S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(C)c1 ZINC000009507963 569542177 /nfs/dbraw/zinc/54/21/77/569542177.db2.gz PJHDFDZZJSNQSG-QHCPKHFHSA-N 0 0 443.576 5.368 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 ZINC000009508001 569542205 /nfs/dbraw/zinc/54/22/05/569542205.db2.gz QDARIFJZBNIUIQ-UHFFFAOYSA-N 0 0 433.577 5.326 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC1CCCCCC1 ZINC000009508160 569542248 /nfs/dbraw/zinc/54/22/48/569542248.db2.gz JVQWGMDYXJPWRV-UHFFFAOYSA-N 0 0 444.988 5.171 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc4ccccc4s3)cc2)cc1 ZINC000009508365 569542284 /nfs/dbraw/zinc/54/22/84/569542284.db2.gz YRGJNTZEYIJZDL-UHFFFAOYSA-N 0 0 445.544 5.519 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC1CCC(NC(=O)c2oc3ccccc3c2C)CC1 ZINC000009508559 569542338 /nfs/dbraw/zinc/54/23/38/569542338.db2.gz HGCLAIWJALHKBV-UHFFFAOYSA-N 0 0 430.504 5.267 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000009508663 569542361 /nfs/dbraw/zinc/54/23/61/569542361.db2.gz BJSWKCXYUNUWNK-UHFFFAOYSA-N 0 0 439.368 5.073 50 0 IKAARN Cc1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1-c1ccccc1C ZINC000009509349 569542524 /nfs/dbraw/zinc/54/25/24/569542524.db2.gz SPCPMLPYRGOGFB-KBPBESRZSA-N 0 0 449.407 5.549 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000009509298 569542530 /nfs/dbraw/zinc/54/25/30/569542530.db2.gz WNWHWEIWCYSSCK-OAHLLOKOSA-N 0 0 425.529 5.160 50 0 IKAARN COc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCCC2)c1 ZINC000009509409 569542541 /nfs/dbraw/zinc/54/25/41/569542541.db2.gz PSQMDOKWUIOTFJ-INIZCTEOSA-N 0 0 437.565 5.030 50 0 IKAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccc(Cl)cc1)[C@@H]3c1ccc(C)cc1 ZINC000009510521 569542737 /nfs/dbraw/zinc/54/27/37/569542737.db2.gz GLFVOYJADBUZPO-FQEVSTJZSA-N 0 0 442.910 5.175 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000009510326 569542771 /nfs/dbraw/zinc/54/27/71/569542771.db2.gz SLMQLTLPVUPSBB-QGZVFWFLSA-N 0 0 432.524 5.217 50 0 IKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccccc1C(F)(F)F ZINC000009511817 569542866 /nfs/dbraw/zinc/54/28/66/569542866.db2.gz JGARAZWHDVBVIV-UHFFFAOYSA-N 0 0 441.478 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/nfs/dbraw/zinc/54/31/59/569543159.db2.gz RBLSRLSBROYWMD-UHFFFAOYSA-N 0 0 449.601 5.134 50 0 IKAARN COc1cccc(CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)c1 ZINC000009514645 569543226 /nfs/dbraw/zinc/54/32/26/569543226.db2.gz ZEMFZHTXHPTNRF-KRWDZBQOSA-N 0 0 426.561 5.254 50 0 IKAARN CSc1ncc(Cl)c(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)n1 ZINC000009515023 569543248 /nfs/dbraw/zinc/54/32/48/569543248.db2.gz SYRNOPWAMLYDCS-UHFFFAOYSA-N 0 0 428.926 5.506 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnc(Cc2ccccc2)o1 ZINC000009515340 569543295 /nfs/dbraw/zinc/54/32/95/569543295.db2.gz QOJILABFDDIZRM-UHFFFAOYSA-N 0 0 445.931 5.974 50 0 IKAARN Cc1nc2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)ccc2n1-c1ccccc1 ZINC000009515403 569543341 /nfs/dbraw/zinc/54/33/41/569543341.db2.gz SJXSRSGYOVDVJJ-UHFFFAOYSA-N 0 0 428.517 5.021 50 0 IKAARN Cc1ccsc1CN(C)C(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000009515542 569543348 /nfs/dbraw/zinc/54/33/48/569543348.db2.gz ZNPINXCVKHDLLY-UHFFFAOYSA-N 0 0 425.604 5.479 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSCc1nc2ccccc2nc1C ZINC000009515812 569543360 /nfs/dbraw/zinc/54/33/60/569543360.db2.gz CJLYCTGLAALVOV-UHFFFAOYSA-N 0 0 449.498 5.618 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(OC)c1OCc1ccccc1 ZINC000009516931 569543574 /nfs/dbraw/zinc/54/35/74/569543574.db2.gz DOIUUTIISHPNCS-VWLOTQADSA-N 0 0 430.504 5.012 50 0 IKAARN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Cl)ccc2oc1=O)c1ccco1 ZINC000009517235 569543646 /nfs/dbraw/zinc/54/36/46/569543646.db2.gz VTPSZUDAIFTPFS-UHFFFAOYSA-N 0 0 434.787 5.032 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c(C)c1 ZINC000009517698 569543681 /nfs/dbraw/zinc/54/36/81/569543681.db2.gz UVVZRYHVVDZPDN-UHFFFAOYSA-N 0 0 437.956 5.125 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1 ZINC000009518341 569543997 /nfs/dbraw/zinc/54/39/97/569543997.db2.gz WTZZYRFPFADDEX-UHFFFAOYSA-N 0 0 432.451 5.404 50 0 IKAARN CCC(CC)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009518352 569544035 /nfs/dbraw/zinc/54/40/35/569544035.db2.gz NCRXHMLSLVOHFD-UHFFFAOYSA-N 0 0 434.414 5.958 50 0 IKAARN Cc1ccc(C)c(-n2c(=O)c3[nH]c4ccccc4c3nc2SC/C=C/c2ccccc2)c1 ZINC000009518306 569544048 /nfs/dbraw/zinc/54/40/48/569544048.db2.gz NJIMMVUQRIDGFW-DHZHZOJOSA-N 0 0 437.568 6.289 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1OC ZINC000009518441 569544061 /nfs/dbraw/zinc/54/40/61/569544061.db2.gz ZFLPDYDORBXCQG-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)cc1OC ZINC000009518448 569544095 /nfs/dbraw/zinc/54/40/95/569544095.db2.gz QKRYGVXTTODYRN-UHFFFAOYSA-N 0 0 444.487 5.192 50 0 IKAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000009518396 569544101 /nfs/dbraw/zinc/54/41/01/569544101.db2.gz FBZAWUZIGHHVRV-UHFFFAOYSA-N 0 0 436.414 5.289 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)c1 ZINC000009518423 569544104 /nfs/dbraw/zinc/54/41/04/569544104.db2.gz NRAWVTJAQKVJFE-NTCAYCPXSA-N 0 0 442.471 5.354 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)c1 ZINC000009518418 569544108 /nfs/dbraw/zinc/54/41/08/569544108.db2.gz CZZJXLPQIBVIBW-UHFFFAOYSA-N 0 0 434.423 5.094 50 0 IKAARN Clc1cccc(-n2ncc3c2ncnc3Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000009518706 569544121 /nfs/dbraw/zinc/54/41/21/569544121.db2.gz MRLRTGUKQVNSNM-UHFFFAOYSA-N 0 0 427.895 5.792 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1NC(=O)c1ccccc1Cl ZINC000009518512 569544158 /nfs/dbraw/zinc/54/41/58/569544158.db2.gz HQZOMVQFQCUHKT-UHFFFAOYSA-N 0 0 448.862 5.362 50 0 IKAARN COCCn1c2ccccc2nc1SCc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000009520211 569544361 /nfs/dbraw/zinc/54/43/61/569544361.db2.gz QZLGHBOLUQAEPY-UHFFFAOYSA-N 0 0 438.578 5.116 50 0 IKAARN Cc1ccc(C)c(N2CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1 ZINC000009527109 569544622 /nfs/dbraw/zinc/54/46/22/569544622.db2.gz KBDXIHLSJONLIN-UHFFFAOYSA-N 0 0 428.967 5.894 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)NCCc1ccccc1 ZINC000009529342 569544831 /nfs/dbraw/zinc/54/48/31/569544831.db2.gz WDNBDNVMDYRDEP-UHFFFAOYSA-N 0 0 431.536 5.129 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccc(C)cc2)cc1 ZINC000009529360 569544843 /nfs/dbraw/zinc/54/48/43/569544843.db2.gz VUHLSROQKALVHU-UHFFFAOYSA-N 0 0 429.545 5.587 50 0 IKAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccccc2)cc1 ZINC000009529370 569544848 /nfs/dbraw/zinc/54/48/48/569544848.db2.gz UHOQXIZMTSERPX-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1C ZINC000009529350 569544851 /nfs/dbraw/zinc/54/48/51/569544851.db2.gz IPJONXNZBZGZSQ-UHFFFAOYSA-N 0 0 429.545 5.587 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2Cl)cc1 ZINC000009529361 569544858 /nfs/dbraw/zinc/54/48/58/569544858.db2.gz BKPAQMCOFGQXJK-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2cc(C)ccc2C)cc1 ZINC000009529441 569544861 /nfs/dbraw/zinc/54/48/61/569544861.db2.gz IGBOZYSBBPXDOU-UHFFFAOYSA-N 0 0 427.573 6.195 50 0 IKAARN Cc1ccc(CSc2nc3c4ccccc4sc3c(=O)n2Cc2cccnc2)c(C)c1 ZINC000009530382 569545001 /nfs/dbraw/zinc/54/50/01/569545001.db2.gz DMGHGIJPPHYTPG-UHFFFAOYSA-N 0 0 443.597 5.964 50 0 IKAARN Cc1oc2cc(OCC(=O)N3CCCCCC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000009530849 569545067 /nfs/dbraw/zinc/54/50/67/569545067.db2.gz VJGAQYMMQPWOER-UHFFFAOYSA-N 0 0 425.912 5.203 50 0 IKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]C[C@@H](C)c3ccccc3)c2C(=O)[O-])cc1 ZINC000009531469 569545125 /nfs/dbraw/zinc/54/51/25/569545125.db2.gz KLBSDNMNRJGLEA-LJQANCHMSA-N 0 0 428.532 5.290 50 0 IKAARN COc1ccc(Cl)cc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000009531435 569545143 /nfs/dbraw/zinc/54/51/43/569545143.db2.gz XCTBKHVPEVTPCA-UHFFFAOYSA-N 0 0 444.897 6.632 50 0 IKAARN Cc1ccccc1CC[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000009531394 569545169 /nfs/dbraw/zinc/54/51/69/569545169.db2.gz MOFDQSMFJSCAOV-UHFFFAOYSA-N 0 0 432.951 5.682 50 0 IKAARN COc1ccccc1CC[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000009531359 569545179 /nfs/dbraw/zinc/54/51/79/569545179.db2.gz TWYXQUQPXQKBTP-UHFFFAOYSA-N 0 0 448.950 5.382 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009532054 569545209 /nfs/dbraw/zinc/54/52/09/569545209.db2.gz UOUCZUGMKANPJS-UHFFFAOYSA-N 0 0 446.522 5.388 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]CCCc1ccccc1 ZINC000009531747 569545235 /nfs/dbraw/zinc/54/52/35/569545235.db2.gz DABRQPWLORDGSL-UHFFFAOYSA-N 0 0 442.559 5.427 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009531981 569545237 /nfs/dbraw/zinc/54/52/37/569545237.db2.gz LVPPHHMNIYNLRJ-GOSISDBHSA-N 0 0 446.522 5.429 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000009531664 569545238 /nfs/dbraw/zinc/54/52/38/569545238.db2.gz YYWSZJLXYOYGPR-UHFFFAOYSA-N 0 0 432.495 5.215 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccccc3F)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000009531828 569545247 /nfs/dbraw/zinc/54/52/47/569545247.db2.gz OBMLFUOLTOLHEK-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+]CCc1ccccc1C ZINC000009532440 569545266 /nfs/dbraw/zinc/54/52/66/569545266.db2.gz ZDXLURXXIKFKNB-UHFFFAOYSA-N 0 0 442.559 5.346 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccccc3Cl)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532351 569545273 /nfs/dbraw/zinc/54/52/73/569545273.db2.gz BBTZAQUYOKLLCD-UHFFFAOYSA-N 0 0 448.950 5.648 50 0 IKAARN C=Cc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]C3CCCCCC3)c2C(=O)[O-])cc1 ZINC000009532220 569545276 /nfs/dbraw/zinc/54/52/76/569545276.db2.gz RRHICLNMYXUGTF-UHFFFAOYSA-N 0 0 432.564 5.852 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+]CCC1=CCCCC1 ZINC000009532419 569545320 /nfs/dbraw/zinc/54/53/20/569545320.db2.gz FPLXUMAWKTZYFV-UHFFFAOYSA-N 0 0 432.564 5.685 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532528 569545344 /nfs/dbraw/zinc/54/53/44/569545344.db2.gz QZTNJOBMCMWWOH-SEPYTNNBSA-N 0 0 438.543 5.450 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000009532595 569545350 /nfs/dbraw/zinc/54/53/50/569545350.db2.gz IEMPOTMTNRPXGC-IBGZPJMESA-N 0 0 428.532 5.290 50 0 IKAARN COc1ccc2c(C[NH2+]CCc3ccccc3C)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532561 569545391 /nfs/dbraw/zinc/54/53/91/569545391.db2.gz APEAGOJMZWXQEJ-UHFFFAOYSA-N 0 0 446.522 5.176 50 0 IKAARN COc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccc(C)cc2)c1C(=O)[O-] ZINC000009532992 569545409 /nfs/dbraw/zinc/54/54/09/569545409.db2.gz LUZRAEOXHSZLTO-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000009541123 569545811 /nfs/dbraw/zinc/54/58/11/569545811.db2.gz UPKCTNFNLYFYEU-UHFFFAOYSA-N 0 0 447.991 5.430 50 0 IKAARN Cc1ccc(-c2c3c4c(sc3nc3c2[C@H](c2ccccc2)Oc2ccccc2-3)CCC4)cc1 ZINC000009540631 569545822 /nfs/dbraw/zinc/54/58/22/569545822.db2.gz QGXLFURWDKTBJG-LJAQVGFWSA-N 0 0 445.587 7.909 50 0 IKAARN CCOc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc21 ZINC000009543137 569545940 /nfs/dbraw/zinc/54/59/40/569545940.db2.gz CKLYDCILNCYNQK-UHFFFAOYSA-N 0 0 442.393 5.026 50 0 IKAARN Cc1ccc(C)c2sc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc21 ZINC000009543878 569545960 /nfs/dbraw/zinc/54/59/60/569545960.db2.gz XYLFMNXCKHZALH-UHFFFAOYSA-N 0 0 441.600 5.394 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000009544592 569545993 /nfs/dbraw/zinc/54/59/93/569545993.db2.gz SWACCOFGXYFCIN-QFIPXVFZSA-N 0 0 429.347 5.780 50 0 IKAARN O=C(CSc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1)NCc1ccco1 ZINC000009544416 569546003 /nfs/dbraw/zinc/54/60/03/569546003.db2.gz JBKNDGFVVWFLJP-UHFFFAOYSA-N 0 0 449.557 5.064 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000009544907 569546014 /nfs/dbraw/zinc/54/60/14/569546014.db2.gz KGQNCQZILLKMTL-AWEZNQCLSA-N 0 0 425.604 5.732 50 0 IKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)Nc1ccc(F)cc1F ZINC000009545723 569546143 /nfs/dbraw/zinc/54/61/43/569546143.db2.gz CWWPWGKCZTXYIY-UHFFFAOYSA-N 0 0 425.435 5.445 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000009545791 569546153 /nfs/dbraw/zinc/54/61/53/569546153.db2.gz RIGVNYHOVDVUDJ-DNVCBOLYSA-N 0 0 444.988 5.027 50 0 IKAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)c1ccc[nH]1 ZINC000009545933 569546197 /nfs/dbraw/zinc/54/61/97/569546197.db2.gz CMCUBHQLIWPYEZ-UHFFFAOYSA-N 0 0 435.574 5.019 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000009545873 569546217 /nfs/dbraw/zinc/54/62/17/569546217.db2.gz YBKBGOYAIFXNQX-SFHVURJKSA-N 0 0 426.545 5.175 50 0 IKAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2)cc1 ZINC000009546384 569546272 /nfs/dbraw/zinc/54/62/72/569546272.db2.gz XNLLWIPTUPJKKI-AREMUKBSSA-N 0 0 434.580 5.110 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2nnsc2Cl)n1CCc1ccccc1 ZINC000009549196 569546564 /nfs/dbraw/zinc/54/65/64/569546564.db2.gz FEXAZLCBKKLSAO-UHFFFAOYSA-N 0 0 431.949 5.124 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)NCC(c2ccccc2)c2ccccc2)c1 ZINC000009550372 569546654 /nfs/dbraw/zinc/54/66/54/569546654.db2.gz IUMJFBKODUHPPV-UHFFFAOYSA-N 0 0 426.516 5.432 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3C)o2)c(C)n1CCc1cccs1 ZINC000009549965 569546675 /nfs/dbraw/zinc/54/66/75/569546675.db2.gz MIIAZDBAKJNFKE-UHFFFAOYSA-N 0 0 437.590 5.743 50 0 IKAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCc1cccs1 ZINC000009550087 569546697 /nfs/dbraw/zinc/54/66/97/569546697.db2.gz AMWBRSJJZBDQJT-XMMPIXPASA-N 0 0 446.528 5.695 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2ccccc2n1Cc1ccccc1 ZINC000009553789 569546722 /nfs/dbraw/zinc/54/67/22/569546722.db2.gz AJURNCZBDRFLHG-UHFFFAOYSA-N 0 0 432.523 6.521 50 0 IKAARN CCOC(=O)c1c([C@H]2COc3ccccc3O2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000009553689 569546730 /nfs/dbraw/zinc/54/67/30/569546730.db2.gz SLBDRSZYRODMCI-GOSISDBHSA-N 0 0 443.908 5.343 50 0 IKAARN Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc2c1C ZINC000009552176 569546731 /nfs/dbraw/zinc/54/67/31/569546731.db2.gz NPXXXKPKDHBCKS-UHFFFAOYSA-N 0 0 425.699 5.540 50 0 IKAARN CCOC(=O)c1c([C@@H]2COc3ccccc3O2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000009553688 569546733 /nfs/dbraw/zinc/54/67/33/569546733.db2.gz SLBDRSZYRODMCI-SFHVURJKSA-N 0 0 443.908 5.343 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000009556280 569546819 /nfs/dbraw/zinc/54/68/19/569546819.db2.gz XFLTZMNNHMWZIJ-SANMLTNESA-N 0 0 446.572 5.154 50 0 IKAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009556573 569546830 /nfs/dbraw/zinc/54/68/30/569546830.db2.gz GMKFUSDAUBCYDZ-FQEVSTJZSA-N 0 0 432.501 5.015 50 0 IKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc3ccccc3c2)c1S(=O)(=O)c1ccccc1 ZINC000009558989 569546915 /nfs/dbraw/zinc/54/69/15/569546915.db2.gz KWMGBNHDPCPXII-UHFFFAOYSA-N 0 0 448.544 5.152 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc32)c(Cl)c1 ZINC000009559714 569547008 /nfs/dbraw/zinc/54/70/08/569547008.db2.gz PVRDXYGTBWMFNY-DNQXCXABSA-N 0 0 443.934 5.679 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc21 ZINC000009559675 569547027 /nfs/dbraw/zinc/54/70/27/569547027.db2.gz UVLWUAPIAHBPAS-DQEYMECFSA-N 0 0 439.515 5.034 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc21 ZINC000009559631 569547033 /nfs/dbraw/zinc/54/70/33/569547033.db2.gz OSNMXJZTSMKRGL-GOTSBHOMSA-N 0 0 447.897 5.510 50 0 IKAARN COc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1OC ZINC000009561412 569547118 /nfs/dbraw/zinc/54/71/18/569547118.db2.gz IVNNXEFGNWCJCU-OAQYLSRUSA-N 0 0 439.874 5.748 50 0 IKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(=O)NC3CCCCC3)c2)n1 ZINC000009561326 569547130 /nfs/dbraw/zinc/54/71/30/569547130.db2.gz CCXODLWVDCKRPT-UHFFFAOYSA-N 0 0 440.551 5.238 50 0 IKAARN CCOC(=O)c1ccc(N[C@@H](c2c3ccccc3[nH]c2C(=O)OC)c2ccccc2)cc1 ZINC000009561295 569547131 /nfs/dbraw/zinc/54/71/31/569547131.db2.gz DGTAEWVHYNGAAE-HSZRJFAPSA-N 0 0 428.488 5.333 50 0 IKAARN COc1ccc2nc3sc(C(=O)Nc4ccc(C)cc4Br)cc3cc2c1 ZINC000009561534 569547187 /nfs/dbraw/zinc/54/71/87/569547187.db2.gz 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COc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573612 569547894 /nfs/dbraw/zinc/54/78/94/569547894.db2.gz DEZCLSMWGDYGQV-UHFFFAOYSA-N 0 0 436.519 5.222 50 0 IKAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000009573392 569547895 /nfs/dbraw/zinc/54/78/95/569547895.db2.gz YPBFPLDXZNDMRJ-UHFFFAOYSA-N 0 0 431.584 5.925 50 0 IKAARN COc1ccc(-c2csc(N3N=C(C)C[C@@H]3c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000009575726 569547985 /nfs/dbraw/zinc/54/79/85/569547985.db2.gz OFNFBAQPOXETKG-LJQANCHMSA-N 0 0 439.537 5.172 50 0 IKAARN Cc1sc2nc(-c3cccs3)nc(N[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2c1C ZINC000009576901 569548107 /nfs/dbraw/zinc/54/81/07/569548107.db2.gz KORZEONQIYBDHG-CYBMUJFWSA-N 0 0 443.619 5.613 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)o2)c(OC)c1 ZINC000009577929 569548255 /nfs/dbraw/zinc/54/82/55/569548255.db2.gz IZKXCJROMRMTDO-JOCHJYFZSA-N 0 0 432.501 5.470 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)N2CCC(C)CC2)nn1 ZINC000009578178 569548271 /nfs/dbraw/zinc/54/82/71/569548271.db2.gz JACAZYJMVOQVIQ-UHFFFAOYSA-N 0 0 442.585 5.065 50 0 IKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)NC2CCCCC2)nn1 ZINC000009578042 569548282 /nfs/dbraw/zinc/54/82/82/569548282.db2.gz YLMQHHCWARQCIZ-UHFFFAOYSA-N 0 0 430.624 5.178 50 0 IKAARN Cc1csc(NC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)n1 ZINC000009578072 569548295 /nfs/dbraw/zinc/54/82/95/569548295.db2.gz WXIBKDNVGVQZJQ-UHFFFAOYSA-N 0 0 445.620 5.133 50 0 IKAARN COc1ccc([C@@H]2CCCN2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c(OC)c1 ZINC000009579836 569548547 /nfs/dbraw/zinc/54/85/47/569548547.db2.gz JEURGAJVRMOUQB-FQEVSTJZSA-N 0 0 447.560 5.006 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009580552 569548831 /nfs/dbraw/zinc/54/88/31/569548831.db2.gz RTQOPTXNPZFCQF-INIZCTEOSA-N 0 0 432.574 5.066 50 0 IKAARN CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000009581840 569549158 /nfs/dbraw/zinc/54/91/58/569549158.db2.gz BRCDLBOHWWDYGL-AFMDSPMNSA-N 0 0 431.580 5.354 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000009581836 569549175 /nfs/dbraw/zinc/54/91/75/569549175.db2.gz BRCDLBOHWWDYGL-NIYFSFCBSA-N 0 0 431.580 5.354 50 0 IKAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009581881 569549179 /nfs/dbraw/zinc/54/91/79/569549179.db2.gz XAXZGOOTOBRTFS-QGZVFWFLSA-N 0 0 444.564 5.102 50 0 IKAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(Br)cc1 ZINC000009582660 569549218 /nfs/dbraw/zinc/54/92/18/569549218.db2.gz DARIAZMGWWZMQX-UHFFFAOYSA-N 0 0 438.397 5.157 50 0 IKAARN Cc1nc(CSC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cs1 ZINC000009583025 569549254 /nfs/dbraw/zinc/54/92/54/569549254.db2.gz NVSNFPGIDVAUPZ-OCKHKDLRSA-N 0 0 449.557 5.166 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000009583635 569549285 /nfs/dbraw/zinc/54/92/85/569549285.db2.gz KBFRFYAKCBAGQL-UHFFFAOYSA-N 0 0 443.576 5.644 50 0 IKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009583326 569549306 /nfs/dbraw/zinc/54/93/06/569549306.db2.gz XQIJMSQGAMKJGU-KRWDZBQOSA-N 0 0 425.941 5.054 50 0 IKAARN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1cccc(Cl)c1 ZINC000009584510 569549404 /nfs/dbraw/zinc/54/94/04/569549404.db2.gz IWUYAYCLZQSXBA-UHFFFAOYSA-N 0 0 442.968 5.192 50 0 IKAARN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1ccc(Cl)cc1Cl ZINC000009584485 569549405 /nfs/dbraw/zinc/54/94/05/569549405.db2.gz CPISQMCDRFHNFL-UHFFFAOYSA-N 0 0 438.380 5.505 50 0 IKAARN COCCCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 ZINC000009585309 569549495 /nfs/dbraw/zinc/54/94/95/569549495.db2.gz OOCKZDRIRHTCBH-UHFFFAOYSA-N 0 0 430.986 5.537 50 0 IKAARN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccccc1 ZINC000009584980 569549499 /nfs/dbraw/zinc/54/94/99/569549499.db2.gz JLJOIZWUNZMXNZ-MRXNPFEDSA-N 0 0 449.963 5.009 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3C(F)(F)F)c2n1 ZINC000009585877 569549563 /nfs/dbraw/zinc/54/95/63/569549563.db2.gz FKJBENJGPPJZAY-UHFFFAOYSA-N 0 0 429.225 5.886 50 0 IKAARN CC(=O)Oc1cc2ccccc2cc1C1=NN(C(C)=O)[C@H](c2ccc(Cl)cc2Cl)O1 ZINC000009586123 569549614 /nfs/dbraw/zinc/54/96/14/569549614.db2.gz IKVOVRWBXFZCIT-QFIPXVFZSA-N 0 0 443.286 5.311 50 0 IKAARN CC(=O)N1N=C(COc2ccc(Cl)cc2C)O[C@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000009586201 569549617 /nfs/dbraw/zinc/54/96/17/569549617.db2.gz CPIPEYQWUJOQLJ-LJQANCHMSA-N 0 0 427.715 5.399 50 0 IKAARN O=C(CSc1nc2ccc(Cl)cc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009586232 569549681 /nfs/dbraw/zinc/54/96/81/569549681.db2.gz SJFIDPDQNXMIRN-ZDUSSCGKSA-N 0 0 443.981 5.589 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009586858 569549744 /nfs/dbraw/zinc/54/97/44/569549744.db2.gz RMHXDQAEAGLMHS-UHFFFAOYSA-N 0 0 428.560 5.217 50 0 IKAARN CCOc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000009586963 569549751 /nfs/dbraw/zinc/54/97/51/569549751.db2.gz MLZJQIGQAXCGHH-UHFFFAOYSA-N 0 0 426.472 5.096 50 0 IKAARN Cc1cccc(-c2nc3ccc(C(=O)NCc4ccccc4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589240 569549931 /nfs/dbraw/zinc/54/99/31/569549931.db2.gz WRVTVTUCXOOBPF-UHFFFAOYSA-N 0 0 443.550 6.511 50 0 IKAARN O=C(NCCc1cccs1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589380 569549942 /nfs/dbraw/zinc/54/99/42/569549942.db2.gz FECMJYBIIVZPFS-UHFFFAOYSA-N 0 0 435.552 5.998 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(=O)c2c(C[C@H](C)CC)c(C)sc2[nH]1 ZINC000009589370 569549947 /nfs/dbraw/zinc/54/99/47/569549947.db2.gz KSLBIVJHGNNINM-CYBMUJFWSA-N 0 0 429.611 5.175 50 0 IKAARN Cc1cccc(-c2nc3ccc(C(=O)NCc4cccs4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589275 569549950 /nfs/dbraw/zinc/54/99/50/569549950.db2.gz ALNNXMYGDICLCY-UHFFFAOYSA-N 0 0 449.579 6.572 50 0 IKAARN COc1ccc(-c2noc(COc3ccc(C(C)(C)C)cc3Br)n2)cc1OC ZINC000009590507 569550002 /nfs/dbraw/zinc/55/00/02/569550002.db2.gz PJOLSMALIVHMJO-UHFFFAOYSA-N 0 0 447.329 5.393 50 0 IKAARN CC(C)(C)c1ccc(-c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2)cc1 ZINC000009591122 569550131 /nfs/dbraw/zinc/55/01/31/569550131.db2.gz DEZSOHCGWSFNFH-UHFFFAOYSA-N 0 0 434.590 5.782 50 0 IKAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)Cc2ccccc2)cc1 ZINC000009591201 569550155 /nfs/dbraw/zinc/55/01/55/569550155.db2.gz PBGANOSCGRENCV-UHFFFAOYSA-N 0 0 432.911 5.102 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O ZINC000009591339 569550178 /nfs/dbraw/zinc/55/01/78/569550178.db2.gz UAUZIPYFWCKIQY-UHFFFAOYSA-N 0 0 443.842 5.676 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000009591743 569550220 /nfs/dbraw/zinc/55/02/20/569550220.db2.gz QXISYYBIXRHEQI-IBGZPJMESA-N 0 0 427.500 5.995 50 0 IKAARN Cc1ccc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1C ZINC000009591689 569550229 /nfs/dbraw/zinc/55/02/29/569550229.db2.gz OHNGYUKWDGTTJM-QGZVFWFLSA-N 0 0 447.918 6.340 50 0 IKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1C ZINC000009591692 569550245 /nfs/dbraw/zinc/55/02/45/569550245.db2.gz AVSZWLUGRCHZCB-KRWDZBQOSA-N 0 0 431.463 5.826 50 0 IKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)c1C ZINC000009591730 569550250 /nfs/dbraw/zinc/55/02/50/569550250.db2.gz MHKPEGBBXSQFQF-KRWDZBQOSA-N 0 0 431.463 5.826 50 0 IKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c1C ZINC000009591720 569550255 /nfs/dbraw/zinc/55/02/55/569550255.db2.gz ZTOSNVPCCYPFPF-KRWDZBQOSA-N 0 0 447.918 6.340 50 0 IKAARN CCc1ccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000009591923 569550259 /nfs/dbraw/zinc/55/02/59/569550259.db2.gz LAZDJAFRGNPLMH-INIZCTEOSA-N 0 0 431.463 5.771 50 0 IKAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000009591991 569550296 /nfs/dbraw/zinc/55/02/96/569550296.db2.gz HPZDJKSOLYSLAF-CQSZACIVSA-N 0 0 430.335 5.044 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000009593121 569550419 /nfs/dbraw/zinc/55/04/19/569550419.db2.gz WUHQCHHDFDTNSW-LJQANCHMSA-N 0 0 430.529 5.773 50 0 IKAARN CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1C1CC1 ZINC000009593624 569550447 /nfs/dbraw/zinc/55/04/47/569550447.db2.gz YFHWXOYFIGLBJE-LJQANCHMSA-N 0 0 442.972 5.310 50 0 IKAARN Cc1cc2cc(N(C(=O)c3ccncc3)S(=O)(=O)c3cc(C)c(C)cc3C)ccc2o1 ZINC000009593584 569550487 /nfs/dbraw/zinc/55/04/87/569550487.db2.gz ZQIKXWOHAPSHLR-UHFFFAOYSA-N 0 0 434.517 5.097 50 0 IKAARN COc1cc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)ccc1OCc1ccccc1 ZINC000009594036 569550500 /nfs/dbraw/zinc/55/05/00/569550500.db2.gz MIBRUQQVLQDCNO-QGZVFWFLSA-N 0 0 435.549 5.579 50 0 IKAARN Clc1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccccc4)SC3)o2)cc1Cl ZINC000009594005 569550520 /nfs/dbraw/zinc/55/05/20/569550520.db2.gz LGXPGSHLNDVTCP-UHFFFAOYSA-N 0 0 427.316 5.870 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2Cc2ccco2)c1 ZINC000009595297 569550689 /nfs/dbraw/zinc/55/06/89/569550689.db2.gz ARJDOXHRPMDYRK-UHFFFAOYSA-N 0 0 428.517 5.842 50 0 IKAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000009595386 569550713 /nfs/dbraw/zinc/55/07/13/569550713.db2.gz BGCVZHUNELFMTE-UHFFFAOYSA-N 0 0 445.260 5.155 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1)c1cccs1 ZINC000009595370 569550718 /nfs/dbraw/zinc/55/07/18/569550718.db2.gz HEACRBKCHWJJBV-QGZVFWFLSA-N 0 0 447.585 5.630 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1)c1cccs1 ZINC000009595372 569550722 /nfs/dbraw/zinc/55/07/22/569550722.db2.gz HEACRBKCHWJJBV-KRWDZBQOSA-N 0 0 447.585 5.630 50 0 IKAARN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 ZINC000009595574 569550759 /nfs/dbraw/zinc/55/07/59/569550759.db2.gz HDDQRTSILGUVFS-UHFFFAOYSA-N 0 0 429.925 5.238 50 0 IKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)cc1 ZINC000009595619 569550777 /nfs/dbraw/zinc/55/07/77/569550777.db2.gz OQQXSKJMHYGEEM-ZIAGYGMSSA-N 0 0 438.578 6.135 50 0 IKAARN Clc1ccc(-c2noc(CCCSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 ZINC000009596589 569550817 /nfs/dbraw/zinc/55/08/17/569550817.db2.gz SVFIUROIYPOOFK-UHFFFAOYSA-N 0 0 437.956 5.573 50 0 IKAARN CCCCCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C(C(=O)OCC)C(C)=N2 ZINC000009597337 569550858 /nfs/dbraw/zinc/55/08/58/569550858.db2.gz NWXVXDOUXLXBKZ-SFHVURJKSA-N 0 0 434.993 5.456 50 0 IKAARN CCCCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C(C(=O)OCC)C(C)=N2 ZINC000009597314 569550863 /nfs/dbraw/zinc/55/08/63/569550863.db2.gz PPESGCAFQMAOOG-FQEVSTJZSA-N 0 0 444.601 5.201 50 0 IKAARN CCCCOc1ccc(-c2csc(-c3nc(-c4cccc(Cl)c4)cs3)n2)cc1 ZINC000009597450 569550914 /nfs/dbraw/zinc/55/09/14/569550914.db2.gz WKPWCWIUVUCHME-UHFFFAOYSA-N 0 0 426.994 7.433 50 0 IKAARN COc1cccc(NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)c1 ZINC000009598046 569550991 /nfs/dbraw/zinc/55/09/91/569550991.db2.gz XEQALXLSAPDBOW-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN Oc1ccc(-c2nc3ccc(Cl)cn3c2NC(c2ccccc2)c2ccccc2)cc1 ZINC000009598488 569551014 /nfs/dbraw/zinc/55/10/14/569551014.db2.gz HDNFDJLAGLPIKS-UHFFFAOYSA-N 0 0 425.919 6.562 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2Cc1ccc(C)cc1 ZINC000009599069 569551143 /nfs/dbraw/zinc/55/11/43/569551143.db2.gz WSHQXKYRVFPOQD-UHFFFAOYSA-N 0 0 445.371 5.494 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(Cl)cc2)cc1 ZINC000009599139 569551176 /nfs/dbraw/zinc/55/11/76/569551176.db2.gz RGBHWZRJMWVUEI-UHFFFAOYSA-N 0 0 427.957 5.192 50 0 IKAARN O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000009599169 569551187 /nfs/dbraw/zinc/55/11/87/569551187.db2.gz HWOPRBHWRFOIOA-UHFFFAOYSA-N 0 0 432.376 5.837 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000009599257 569551208 /nfs/dbraw/zinc/55/12/08/569551208.db2.gz LOVWNEOSCUDTDD-UHFFFAOYSA-N 0 0 446.403 6.227 50 0 IKAARN Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000009599324 569551228 /nfs/dbraw/zinc/55/12/28/569551228.db2.gz JGIHTWAUSZZGIK-UHFFFAOYSA-N 0 0 430.371 5.067 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Br)cc2)cc1 ZINC000009599312 569551230 /nfs/dbraw/zinc/55/12/30/569551230.db2.gz GYIKCMYGMRKBBC-UHFFFAOYSA-N 0 0 430.371 5.067 50 0 IKAARN O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(Br)cc1 ZINC000009599231 569551235 /nfs/dbraw/zinc/55/12/35/569551235.db2.gz HZBAWMBREPMTBW-UHFFFAOYSA-N 0 0 442.382 5.293 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1Cl ZINC000009599383 569551270 /nfs/dbraw/zinc/55/12/70/569551270.db2.gz XQYHDKZATVFSEC-UHFFFAOYSA-N 0 0 427.957 5.192 50 0 IKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 ZINC000009600594 569551467 /nfs/dbraw/zinc/55/14/67/569551467.db2.gz OMRUEQAVSMEDAI-UHFFFAOYSA-N 0 0 441.314 6.843 50 0 IKAARN Cc1ccccc1-c1nc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2o1 ZINC000009600604 569551493 /nfs/dbraw/zinc/55/14/93/569551493.db2.gz KVCHZWKIYBDUKB-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2c1cc(OC(=O)c1ccccc1)c1ccccc21 ZINC000009600994 569551557 /nfs/dbraw/zinc/55/15/57/569551557.db2.gz YNWQBWWVMBEOAM-UHFFFAOYSA-N 0 0 449.506 6.488 50 0 IKAARN CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(-c3ccccc3)c2c2ccccc12 ZINC000009600993 569551561 /nfs/dbraw/zinc/55/15/61/569551561.db2.gz VSLRXXHYQDNEHT-UHFFFAOYSA-N 0 0 429.516 6.364 50 0 IKAARN Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(Cl)cc4)c4ccccc4N23)c1C ZINC000009600714 569551566 /nfs/dbraw/zinc/55/15/66/569551566.db2.gz IQKTZRKYEAZYQM-UHFFFAOYSA-N 0 0 432.911 5.479 50 0 IKAARN CC(C)c1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000009601205 569551575 /nfs/dbraw/zinc/55/15/75/569551575.db2.gz DCRWKJWPZSUSAW-UHFFFAOYSA-N 0 0 447.354 5.510 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2Cl)c1Sc1nc2ccccc2[nH]1 ZINC000009601565 569551636 /nfs/dbraw/zinc/55/16/36/569551636.db2.gz KIFYAGDXIMZVPS-UHFFFAOYSA-N 0 0 438.339 6.529 50 0 IKAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000009603461 569551773 /nfs/dbraw/zinc/55/17/73/569551773.db2.gz QYHMXNJVDBYDBX-ZDUSSCGKSA-N 0 0 443.623 5.336 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000009605462 569551900 /nfs/dbraw/zinc/55/19/00/569551900.db2.gz JKIKWAIJOWAPAP-XMMPIXPASA-N 0 0 441.575 5.269 50 0 IKAARN CCCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000009606894 569551949 /nfs/dbraw/zinc/55/19/49/569551949.db2.gz SJLDDTYEVZTPIO-UHFFFAOYSA-N 0 0 439.024 7.568 50 0 IKAARN CCCN(C(=O)Nc1ccc(C)c(C)c1)c1nc(-c2cccc(Br)c2)cs1 ZINC000009606954 569551968 /nfs/dbraw/zinc/55/19/68/569551968.db2.gz DQEGVKZRYYZZIP-UHFFFAOYSA-N 0 0 444.398 6.638 50 0 IKAARN CCCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2cccc(Br)c2)cs1 ZINC000009606858 569551977 /nfs/dbraw/zinc/55/19/77/569551977.db2.gz FOKYSTHUHCHXQA-UHFFFAOYSA-N 0 0 444.398 6.638 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NCc1cccs1 ZINC000009606563 569551983 /nfs/dbraw/zinc/55/19/83/569551983.db2.gz HZRSSQYUCPSYJU-CQSZACIVSA-N 0 0 447.029 5.572 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)c(Cl)c1 ZINC000009606486 569551985 /nfs/dbraw/zinc/55/19/85/569551985.db2.gz ZLRHYDACHLPYIM-HXUWFJFHSA-N 0 0 428.294 6.692 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)N1CCCCCC1 ZINC000009606597 569551987 /nfs/dbraw/zinc/55/19/87/569551987.db2.gz LFEHKVVFHSWARV-MRXNPFEDSA-N 0 0 444.988 5.123 50 0 IKAARN CCCN(C(=O)Nc1cc(C)ccc1C)c1nc(-c2cccc(Br)c2)cs1 ZINC000009607123 569552000 /nfs/dbraw/zinc/55/20/00/569552000.db2.gz DWIDYYZMLJTDKV-UHFFFAOYSA-N 0 0 444.398 6.638 50 0 IKAARN CCCC1=Nc2cc(C(=O)NCCC3=CCCCC3)ccc2Sc2ccc(Cl)cc21 ZINC000009608066 569552063 /nfs/dbraw/zinc/55/20/63/569552063.db2.gz MTLWHODHHZDJQZ-UHFFFAOYSA-N 0 0 439.024 7.346 50 0 IKAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2ccccc2)n1 ZINC000009608260 569552102 /nfs/dbraw/zinc/55/21/02/569552102.db2.gz JBWVTCCDVRJWBV-AREMUKBSSA-N 0 0 439.540 5.000 50 0 IKAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009608147 569552118 /nfs/dbraw/zinc/55/21/18/569552118.db2.gz UQHNETBLBCCRSD-KRWDZBQOSA-N 0 0 434.536 6.034 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)N=C(CC)c2cc(C)ccc2S3)cc1 ZINC000009608341 569552141 /nfs/dbraw/zinc/55/21/41/569552141.db2.gz RBTNGESBWSTIHZ-UHFFFAOYSA-N 0 0 444.600 6.362 50 0 IKAARN CCC1=Nc2cc(C(=O)NCCc3ccc(SC)cc3)ccc2Sc2ccc(C)cc21 ZINC000009608344 569552168 /nfs/dbraw/zinc/55/21/68/569552168.db2.gz QFJLBLBJFIRWCA-UHFFFAOYSA-N 0 0 446.641 6.685 50 0 IKAARN CC(=O)c1cccc(OC[C@H](O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)c1 ZINC000009608634 569552226 /nfs/dbraw/zinc/55/22/26/569552226.db2.gz XHBFBAMGCKAEIE-IBGZPJMESA-N 0 0 443.594 5.140 50 0 IKAARN CCCN1C(=O)c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2[C@@H]1Nc1ccc(C)c(F)c1 ZINC000009609052 569552252 /nfs/dbraw/zinc/55/22/52/569552252.db2.gz JFZUWFIYBCYGJH-XMMPIXPASA-N 0 0 449.501 5.810 50 0 IKAARN COc1ccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 ZINC000009609367 569552293 /nfs/dbraw/zinc/55/22/93/569552293.db2.gz FAKNEPSDSRYFQD-UHFFFAOYSA-N 0 0 432.499 5.041 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)NCCC3=CCCCC3)c2C)c1-c1ccc(F)cc1 ZINC000009609414 569552295 /nfs/dbraw/zinc/55/22/95/569552295.db2.gz XCSCASCPAFWSDJ-UHFFFAOYSA-N 0 0 434.559 5.400 50 0 IKAARN CCOc1ccccc1NC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000009609370 569552309 /nfs/dbraw/zinc/55/23/09/569552309.db2.gz LZMNSCCIJRFRRW-UHFFFAOYSA-N 0 0 446.526 5.431 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3cccc(C)c3C)c2C)c1-c1ccc(F)cc1 ZINC000009609321 569552310 /nfs/dbraw/zinc/55/23/10/569552310.db2.gz OKAOFFFHSHJNJX-UHFFFAOYSA-N 0 0 430.527 5.649 50 0 IKAARN CCc1ccccc1NC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000009609327 569552316 /nfs/dbraw/zinc/55/23/16/569552316.db2.gz HOYMXWXSBWQASW-UHFFFAOYSA-N 0 0 430.527 5.594 50 0 IKAARN COc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C ZINC000009609496 569552344 /nfs/dbraw/zinc/55/23/44/569552344.db2.gz PBESKJOFRNTIKJ-UHFFFAOYSA-N 0 0 434.927 5.246 50 0 IKAARN COc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000009609501 569552365 /nfs/dbraw/zinc/55/23/65/569552365.db2.gz KFQUZTYFVSJSPV-UHFFFAOYSA-N 0 0 434.927 5.246 50 0 IKAARN CSc1cccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)c1 ZINC000009609667 569552369 /nfs/dbraw/zinc/55/23/69/569552369.db2.gz MNZMTRDUMNYDIT-UHFFFAOYSA-N 0 0 434.540 5.445 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(F)c(Cl)c3)c2C)c1-c1ccccc1 ZINC000009609835 569552401 /nfs/dbraw/zinc/55/24/01/569552401.db2.gz QQGWMAXQKJZUJB-UHFFFAOYSA-N 0 0 436.918 5.685 50 0 IKAARN Cc1ccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)c(Cl)c1 ZINC000009609719 569552427 /nfs/dbraw/zinc/55/24/27/569552427.db2.gz UEIOMZIABVHOGW-UHFFFAOYSA-N 0 0 436.918 5.685 50 0 IKAARN CCc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)c1 ZINC000009609756 569552441 /nfs/dbraw/zinc/55/24/41/569552441.db2.gz VFUSIUIJCUELKA-UHFFFAOYSA-N 0 0 428.536 5.155 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000009609897 569552472 /nfs/dbraw/zinc/55/24/72/569552472.db2.gz YZMYNKQDASETDK-UHFFFAOYSA-N 0 0 448.954 5.555 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N[C@H](C)c3ccccc3)c(C)c12 ZINC000009610256 569552473 /nfs/dbraw/zinc/55/24/73/569552473.db2.gz QDXIFYGLWKHIHE-HXUWFJFHSA-N 0 0 440.591 5.773 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(C)c12 ZINC000009610255 569552497 /nfs/dbraw/zinc/55/24/97/569552497.db2.gz QDXIFYGLWKHIHE-FQEVSTJZSA-N 0 0 440.591 5.773 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O)c1ccc(C(C)C)cc1 ZINC000009611121 569552716 /nfs/dbraw/zinc/55/27/16/569552716.db2.gz DHNYJSHGJGLLSO-UHFFFAOYSA-N 0 0 432.589 6.416 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cc4c(s3)c3cc(C)ccc3oc4=O)sc2c1 ZINC000009611194 569552757 /nfs/dbraw/zinc/55/27/57/569552757.db2.gz IQBFXBUHMNNOFZ-UHFFFAOYSA-N 0 0 436.514 5.577 50 0 IKAARN O=c1c2ccc[nH]c-2c(Nc2ccc3oc(-c4cccnc4)nc3c2)n1Cc1cccs1 ZINC000009612111 569552789 /nfs/dbraw/zinc/55/27/89/569552789.db2.gz JHCPLPHOFLILSR-QFIPXVFZSA-N 0 0 439.500 5.113 50 0 IKAARN COc1ccc(NC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)c(OC)c1 ZINC000009612208 569552874 /nfs/dbraw/zinc/55/28/74/569552874.db2.gz JHZLRLVDTFBXGX-UHFFFAOYSA-N 0 0 442.968 5.515 50 0 IKAARN CCOc1cc(NC(=O)c2cccc(N(C)C)c2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000009612607 569552935 /nfs/dbraw/zinc/55/29/35/569552935.db2.gz FIQXPOJSTIQMAI-UHFFFAOYSA-N 0 0 447.535 5.055 50 0 IKAARN CCc1ccc(NC(=O)CS[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000009613310 569553049 /nfs/dbraw/zinc/55/30/49/569553049.db2.gz RWFJYIZDPRQDKW-OAHLLOKOSA-N 0 0 449.601 5.647 50 0 IKAARN CCC1=Nc2ccccc2N=C(NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009614635 569553138 /nfs/dbraw/zinc/55/31/38/569553138.db2.gz OWDCUFYAOHKHSD-DEOSSOPVSA-N 0 0 445.494 5.583 50 0 IKAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCCC4)cc1 ZINC000009615356 569553182 /nfs/dbraw/zinc/55/31/82/569553182.db2.gz KEOVVQJLILTXPD-UHFFFAOYSA-N 0 0 430.573 5.012 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(F)cc3)c2=O)CCCCC4)cc1C ZINC000009615465 569553216 /nfs/dbraw/zinc/55/32/16/569553216.db2.gz UEBTVVHBQXVXSI-UHFFFAOYSA-N 0 0 448.563 5.287 50 0 IKAARN Cc1ccc(Cn2c3sc4c(c3c(=O)n(-c3ccc(C)c(C)c3)c2=O)CCCCC4)cc1 ZINC000009615486 569553235 /nfs/dbraw/zinc/55/32/35/569553235.db2.gz WMYXOAYPXIFNPT-UHFFFAOYSA-N 0 0 444.600 5.456 50 0 IKAARN Fc1ccc(-c2csc3ncnc(Sc4nnc(NC[C@H]5CCCO5)s4)c23)cc1 ZINC000009619884 569553424 /nfs/dbraw/zinc/55/34/24/569553424.db2.gz PYXCISUXSUOOGW-CYBMUJFWSA-N 0 0 445.570 5.091 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009619758 569553426 /nfs/dbraw/zinc/55/34/26/569553426.db2.gz WQMHAEIPTQQNMC-INIZCTEOSA-N 0 0 437.565 5.359 50 0 IKAARN Fc1ccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3-c2ccccc2)cc1 ZINC000009622506 569553513 /nfs/dbraw/zinc/55/35/13/569553513.db2.gz KQWHVHSPVLCSKG-UHFFFAOYSA-N 0 0 444.901 5.964 50 0 IKAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc2ccccc21 ZINC000009631665 569553818 /nfs/dbraw/zinc/55/38/18/569553818.db2.gz JJMXPWVKWFPEPR-UHFFFAOYSA-N 0 0 436.846 5.286 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2ccccc2c1=O ZINC000009632110 569553898 /nfs/dbraw/zinc/55/38/98/569553898.db2.gz HUTWXAPCTJAHNF-UHFFFAOYSA-N 0 0 443.572 5.450 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NCc1cccs1 ZINC000009632078 569553899 /nfs/dbraw/zinc/55/38/99/569553899.db2.gz LXUUNSBCKAKDEZ-UHFFFAOYSA-N 0 0 440.981 5.058 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3Br)s2)c1C ZINC000009632055 569553902 /nfs/dbraw/zinc/55/39/02/569553902.db2.gz UHUCAGWWDFWQHT-UHFFFAOYSA-N 0 0 449.399 5.392 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(SCc4ccccc4F)s3)cc2)n1 ZINC000009632103 569553934 /nfs/dbraw/zinc/55/39/34/569553934.db2.gz OUPQAQLBYBIMCH-UHFFFAOYSA-N 0 0 439.541 5.024 50 0 IKAARN Cc1nc2cc(C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)ccc2n1-c1ccccc1 ZINC000009632169 569553944 /nfs/dbraw/zinc/55/39/44/569553944.db2.gz VDBQKONRLZJQQH-UHFFFAOYSA-N 0 0 427.504 5.055 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000009632545 569554033 /nfs/dbraw/zinc/55/40/33/569554033.db2.gz SMWCDZRWMOKTLU-UHFFFAOYSA-N 0 0 440.981 5.058 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(Br)cc2Cl)s1 ZINC000009632513 569554035 /nfs/dbraw/zinc/55/40/35/569554035.db2.gz KSYSBKXJKSQUOZ-UHFFFAOYSA-N 0 0 435.774 6.024 50 0 IKAARN CC[C@@H](CO)n1c(=O)c2ccccc2nc1SCc1csc(-c2ccc(C)cc2)n1 ZINC000009632803 569554083 /nfs/dbraw/zinc/55/40/83/569554083.db2.gz PWTSGDAAMRUHSU-SFHVURJKSA-N 0 0 437.590 5.064 50 0 IKAARN O=C(CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)NC1CCCC1 ZINC000009632670 569554091 /nfs/dbraw/zinc/55/40/91/569554091.db2.gz DOGMPRWTXJYHLO-UHFFFAOYSA-N 0 0 448.636 5.678 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000009632877 569554114 /nfs/dbraw/zinc/55/41/14/569554114.db2.gz FFDYEVNSYIKBFR-UHFFFAOYSA-N 0 0 425.366 5.188 50 0 IKAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009633231 569554210 /nfs/dbraw/zinc/55/42/10/569554210.db2.gz AQIBSPTWUNHBGZ-UHFFFAOYSA-N 0 0 440.528 5.139 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009634205 569554381 /nfs/dbraw/zinc/55/43/81/569554381.db2.gz GRHBOAAJSYJXBL-UHFFFAOYSA-N 0 0 444.435 5.050 50 0 IKAARN O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009634503 569554447 /nfs/dbraw/zinc/55/44/47/569554447.db2.gz NHQXPWZQOXXNBY-UHFFFAOYSA-N 0 0 425.712 5.173 50 0 IKAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000009634728 569554510 /nfs/dbraw/zinc/55/45/10/569554510.db2.gz HVDMZGAPKQAJCP-UHFFFAOYSA-N 0 0 442.540 5.431 50 0 IKAARN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1ccccc1C ZINC000009635711 569554694 /nfs/dbraw/zinc/55/46/94/569554694.db2.gz OGNUXFUWHCNRQF-MYYYXRDXSA-N 0 0 435.552 5.077 50 0 IKAARN Cc1sc2[nH]c([C@@H](C)Sc3nnc(-c4ccco4)n3-c3ccccc3)nc(=O)c2c1C ZINC000009635509 569554702 /nfs/dbraw/zinc/55/47/02/569554702.db2.gz LSRCGLWWHYANHH-CQSZACIVSA-N 0 0 449.561 5.295 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)c3c(C)nn(Cc4ccc(C)cc4)c3Cl)c2)cs1 ZINC000009637591 569554799 /nfs/dbraw/zinc/55/47/99/569554799.db2.gz QDDOFBMAHUUAGC-UHFFFAOYSA-N 0 0 436.968 5.886 50 0 IKAARN COc1cc(OC)c(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000009638817 569555046 /nfs/dbraw/zinc/55/50/46/569555046.db2.gz VUDHLUSQDZPNSJ-OAQYLSRUSA-N 0 0 429.303 5.782 50 0 IKAARN C[C@H](Sc1nnc(C2CCCCC2)o1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009638935 569555091 /nfs/dbraw/zinc/55/50/91/569555091.db2.gz CGXIZDZLVOWORV-NSHDSACASA-N 0 0 444.607 5.997 50 0 IKAARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009639430 569555214 /nfs/dbraw/zinc/55/52/14/569555214.db2.gz LBACOJHLPVQPLM-VIFPVBQESA-N 0 0 449.533 5.054 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)cc2NC1=O ZINC000009639965 569555305 /nfs/dbraw/zinc/55/53/05/569555305.db2.gz FJODPEQYKBGXLQ-HNNXBMFYSA-N 0 0 441.512 5.449 50 0 IKAARN COC(=O)c1c(SCc2ccc(C)cc2)nc2ccccc2c1OCc1cccc(C)c1 ZINC000009640115 569555314 /nfs/dbraw/zinc/55/53/14/569555314.db2.gz ZTQPHKWBRGOFQO-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1ccccc1C ZINC000009640215 569555324 /nfs/dbraw/zinc/55/53/24/569555324.db2.gz ZKWCYJXCTIBJSZ-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1ccccc1F ZINC000009640223 569555358 /nfs/dbraw/zinc/55/53/58/569555358.db2.gz YMYAUVORTPNBJS-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN COC(=O)c1c(SCc2ccccc2C)nc2ccccc2c1OCc1ccccc1F ZINC000009640160 569555364 /nfs/dbraw/zinc/55/53/64/569555364.db2.gz GRTLWRZJKUQACO-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN CCCN(C(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O)c1ccc(Cl)c(Cl)c1 ZINC000009640970 569555568 /nfs/dbraw/zinc/55/55/68/569555568.db2.gz WJJASGWCUIAQAO-UHFFFAOYSA-N 0 0 444.318 5.201 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccccc3C)o2)c2ccccc2)c1 ZINC000009641686 569555697 /nfs/dbraw/zinc/55/56/97/569555697.db2.gz GUGQTRRKAWKTQL-JOCHJYFZSA-N 0 0 429.545 6.134 50 0 IKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Nc1ccc(Cl)cc1 ZINC000009642733 569555852 /nfs/dbraw/zinc/55/58/52/569555852.db2.gz ZYPBYKQMISQTPX-UHFFFAOYSA-N 0 0 433.939 5.896 50 0 IKAARN C[C@H](CNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 ZINC000009642829 569555896 /nfs/dbraw/zinc/55/58/96/569555896.db2.gz LFJYJIRDTDABIJ-OAQYLSRUSA-N 0 0 441.575 5.524 50 0 IKAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009645470 569556106 /nfs/dbraw/zinc/55/61/06/569556106.db2.gz BNTJDQPYLKLDON-RUZDIDTESA-N 0 0 427.523 5.920 50 0 IKAARN Cc1c(Cl)cccc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl ZINC000009645543 569556150 /nfs/dbraw/zinc/55/61/50/569556150.db2.gz VOKJCDNXMDSSGI-FQEVSTJZSA-N 0 0 428.294 6.692 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccco3)nc2-c2ccc(C)cc2)cc1 ZINC000009646083 569556180 /nfs/dbraw/zinc/55/61/80/569556180.db2.gz IUTNJSKSVCBZTG-GOSISDBHSA-N 0 0 444.560 5.385 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000009646134 569556243 /nfs/dbraw/zinc/55/62/43/569556243.db2.gz VRBMUAROTRQOMA-NSHDSACASA-N 0 0 434.974 5.123 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)N1CCc2ccccc2C1 ZINC000009647163 569556392 /nfs/dbraw/zinc/55/63/92/569556392.db2.gz FZTLMSYYVTXGMW-GOSISDBHSA-N 0 0 425.557 5.362 50 0 IKAARN Cc1occc1-c1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1Cc1ccccc1 ZINC000009647154 569556402 /nfs/dbraw/zinc/55/64/02/569556402.db2.gz VOCODXFVFRYVKL-JOCHJYFZSA-N 0 0 444.560 5.007 50 0 IKAARN O=C(c1ccc(Br)o1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000009647724 569556423 /nfs/dbraw/zinc/55/64/23/569556423.db2.gz GJLTWBOZYNCYBZ-UHFFFAOYSA-N 0 0 425.735 5.325 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 ZINC000009659565 569556627 /nfs/dbraw/zinc/55/66/27/569556627.db2.gz UVTXTNPSQAMDSE-UHFFFAOYSA-N 0 0 429.516 5.132 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2)cc1 ZINC000009660246 569556783 /nfs/dbraw/zinc/55/67/83/569556783.db2.gz PDBOSNAMQMUGRI-UHFFFAOYSA-N 0 0 445.471 5.128 50 0 biogenic IKAARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000009662038 569557113 /nfs/dbraw/zinc/55/71/13/569557113.db2.gz BYSGDJBDZMLJHF-UHFFFAOYSA-N 0 0 429.259 5.227 50 0 IKAARN COc1ccc(-n2c3ccccc3nc2S[C@H](C)C(=O)Nc2ccccc2OC)cc1 ZINC000009662736 569557138 /nfs/dbraw/zinc/55/71/38/569557138.db2.gz JIUYLZDZNULUOW-MRXNPFEDSA-N 0 0 433.533 5.162 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1Cl ZINC000009663590 569557261 /nfs/dbraw/zinc/55/72/61/569557261.db2.gz SJFABVLYCDRDAZ-UHFFFAOYSA-N 0 0 447.343 5.637 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccccc2F)c2ccccc2S1(=O)=O ZINC000009663928 569557281 /nfs/dbraw/zinc/55/72/81/569557281.db2.gz XLDCCGJYZMOMOT-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN Cc1ccc(C)c(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000009663795 569557283 /nfs/dbraw/zinc/55/72/83/569557283.db2.gz VWAVCBPXMHICBC-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccnc1 ZINC000009663852 569557293 /nfs/dbraw/zinc/55/72/93/569557293.db2.gz PZGKMLNWRGWJCO-UHFFFAOYSA-N 0 0 443.576 5.492 50 0 IKAARN Cc1cccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000009663782 569557310 /nfs/dbraw/zinc/55/73/10/569557310.db2.gz OYVMHCJOBMTKIO-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1C ZINC000009663843 569557316 /nfs/dbraw/zinc/55/73/16/569557316.db2.gz WVMQTIMFYWHSGE-UHFFFAOYSA-N 0 0 444.915 5.431 50 0 IKAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000009663924 569557317 /nfs/dbraw/zinc/55/73/17/569557317.db2.gz GLRGYIOEIRFLII-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN Cc1ccc(C)c(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)c1 ZINC000009663786 569557319 /nfs/dbraw/zinc/55/73/19/569557319.db2.gz OFZLXNGWYWAMHN-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)n1-c1ccccc1 ZINC000009664049 569557384 /nfs/dbraw/zinc/55/73/84/569557384.db2.gz CWBZHEZPVUKSLW-HSZRJFAPSA-N 0 0 428.561 5.665 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000009665072 569557550 /nfs/dbraw/zinc/55/75/50/569557550.db2.gz JEBPKAYMDZENPF-UHFFFAOYSA-N 0 0 449.967 5.276 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2C)c2ccccc2)cc1Cl ZINC000009665541 569557606 /nfs/dbraw/zinc/55/76/06/569557606.db2.gz WSJGIWILDRJIOL-HNNXBMFYSA-N 0 0 440.878 5.268 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccncc2)cc1 ZINC000009665965 569557645 /nfs/dbraw/zinc/55/76/45/569557645.db2.gz VXDOXTOLQZLYHN-UHFFFAOYSA-N 0 0 447.539 5.070 50 0 IKAARN Cc1ccc(Cn2c(SCC(=O)Nc3c(C)cccc3C)nc3ccccc3c2=O)cc1 ZINC000009666303 569557664 /nfs/dbraw/zinc/55/76/64/569557664.db2.gz VPRDYPJXDHNUDQ-UHFFFAOYSA-N 0 0 443.572 5.101 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccncc2)cc1 ZINC000009666253 569557677 /nfs/dbraw/zinc/55/76/77/569557677.db2.gz VLXUKWWUSLVXDF-UHFFFAOYSA-N 0 0 443.576 5.239 50 0 IKAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000009666338 569557681 /nfs/dbraw/zinc/55/76/81/569557681.db2.gz SFEYBNMTXALEDZ-INIZCTEOSA-N 0 0 448.523 5.231 50 0 IKAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)cc1 ZINC000009667292 569557791 /nfs/dbraw/zinc/55/77/91/569557791.db2.gz XHHLEXNIVOBZGE-NDEPHWFRSA-N 0 0 432.523 6.492 50 0 IKAARN CCc1sc(-c2nnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)cc1C ZINC000009666720 569557794 /nfs/dbraw/zinc/55/77/94/569557794.db2.gz XNRLCGBMXKOBES-UHFFFAOYSA-N 0 0 429.596 5.616 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(N5CCCC5=O)c4)cc3)o2)cc1 ZINC000009666741 569557829 /nfs/dbraw/zinc/55/78/29/569557829.db2.gz ZHHVOJIFQXHULQ-UHFFFAOYSA-N 0 0 438.487 5.091 50 0 IKAARN CSCc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009669541 569558048 /nfs/dbraw/zinc/55/80/48/569558048.db2.gz RDSQUHZBIDDIHT-LJQANCHMSA-N 0 0 436.606 5.263 50 0 IKAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009669691 569558084 /nfs/dbraw/zinc/55/80/84/569558084.db2.gz GDLVVNKURMAOJZ-JOCHJYFZSA-N 0 0 442.540 5.270 50 0 IKAARN CCc1cccc2c(C(=O)CSc3nnc([C@@H](C)Oc4ccc(F)cc4)o3)c[nH]c21 ZINC000009669728 569558087 /nfs/dbraw/zinc/55/80/87/569558087.db2.gz IBUDFGOCJKWSGX-CYBMUJFWSA-N 0 0 425.485 5.367 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 ZINC000009669719 569558098 /nfs/dbraw/zinc/55/80/98/569558098.db2.gz MEZMRUQKZZRPFW-VWLOTQADSA-N 0 0 434.536 5.637 50 0 IKAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000009669752 569558189 /nfs/dbraw/zinc/55/81/89/569558189.db2.gz AQHFHIRZDHMJTR-QFIPXVFZSA-N 0 0 446.576 5.288 50 0 IKAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2C2CCCCC2)cc1 ZINC000009670013 569558196 /nfs/dbraw/zinc/55/81/96/569558196.db2.gz LVWHDYBGNFDWBB-KRWDZBQOSA-N 0 0 436.581 5.578 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1F ZINC000009670406 569558337 /nfs/dbraw/zinc/55/83/37/569558337.db2.gz BVNLAWQYTXVIDX-UHFFFAOYSA-N 0 0 426.904 5.423 50 0 IKAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 ZINC000009671522 569558557 /nfs/dbraw/zinc/55/85/57/569558557.db2.gz ZCLVRZXGHAWLLZ-LJQANCHMSA-N 0 0 432.570 6.087 50 0 IKAARN NC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1cccc(Oc2ccccc2)c1 ZINC000009671776 569558603 /nfs/dbraw/zinc/55/86/03/569558603.db2.gz YYLOTQSOXOVQMQ-NHCUHLMSSA-N 0 0 435.549 5.004 50 0 IKAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000009672112 569558705 /nfs/dbraw/zinc/55/87/05/569558705.db2.gz WGROODYIHKCTHP-AWEZNQCLSA-N 0 0 436.458 5.793 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009672194 569558710 /nfs/dbraw/zinc/55/87/10/569558710.db2.gz IPZQBEOWHUNSIE-UHFFFAOYSA-N 0 0 436.606 5.164 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000009673261 569558905 /nfs/dbraw/zinc/55/89/05/569558905.db2.gz WUSJMQDODLVRHA-LEWJYISDSA-N 0 0 440.952 5.268 50 0 IKAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCCc1ccc(Cl)cc1 ZINC000009674023 569559039 /nfs/dbraw/zinc/55/90/39/569559039.db2.gz SWHDHLHQKZYQAQ-UHFFFAOYSA-N 0 0 447.966 5.234 50 0 IKAARN Cc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000009674124 569559078 /nfs/dbraw/zinc/55/90/78/569559078.db2.gz JDZUFRZRTISSPC-UHFFFAOYSA-N 0 0 437.952 5.707 50 0 IKAARN CCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000009674168 569559151 /nfs/dbraw/zinc/55/91/51/569559151.db2.gz QUDRBKCZYJRTMI-UHFFFAOYSA-N 0 0 444.000 5.204 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(Br)cc32)cc1 ZINC000009675946 569559364 /nfs/dbraw/zinc/55/93/64/569559364.db2.gz YBWZCFYYPABUTK-UHFFFAOYSA-N 0 0 432.296 6.451 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(C(C)(C)C)cc3)c3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000009675922 569559380 /nfs/dbraw/zinc/55/93/80/569559380.db2.gz YJPJFKSEFDYBIT-UHFFFAOYSA-N 0 0 449.554 6.618 50 0 IKAARN COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2cc1OC ZINC000009675996 569559389 /nfs/dbraw/zinc/55/93/89/569559389.db2.gz PGBXRWLRGAPKLU-UHFFFAOYSA-N 0 0 447.897 6.359 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(OC)cc4)c3c2c1 ZINC000009675990 569559398 /nfs/dbraw/zinc/55/93/98/569559398.db2.gz YIOTUCBMXMASAE-UHFFFAOYSA-N 0 0 425.488 5.657 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(Br)cc32)cc1 ZINC000009675948 569559399 /nfs/dbraw/zinc/55/93/99/569559399.db2.gz RAPBRKHHZBHCNO-UHFFFAOYSA-N 0 0 448.751 6.965 50 0 IKAARN Fc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(F)cc4c32)cc1 ZINC000009676109 569559435 /nfs/dbraw/zinc/55/94/35/569559435.db2.gz LAVMHUAQYMJVPP-UHFFFAOYSA-N 0 0 436.259 6.281 50 0 IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679136 569559761 /nfs/dbraw/zinc/55/97/61/569559761.db2.gz MRWGWXFLRPJZGN-QHCPKHFHSA-N 0 0 434.326 6.442 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009679218 569559832 /nfs/dbraw/zinc/55/98/32/569559832.db2.gz WIEYAYBSUPBONT-VWLOTQADSA-N 0 0 437.499 5.312 50 0 IKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Br)cc4)c3[C@@H]2c2ccco2)cc1 ZINC000009679202 569559848 /nfs/dbraw/zinc/55/98/48/569559848.db2.gz RBVJWXWELFQXNQ-NRFANRHFSA-N 0 0 434.293 5.490 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679580 569559885 /nfs/dbraw/zinc/55/98/85/569559885.db2.gz AIWKRXAOPWIULE-QFIPXVFZSA-N 0 0 447.491 5.204 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009679576 569559966 /nfs/dbraw/zinc/55/99/66/569559966.db2.gz BWKNJTTYDQAHRI-QFIPXVFZSA-N 0 0 447.491 5.204 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c(OC)c1 ZINC000009680611 569560098 /nfs/dbraw/zinc/56/00/98/569560098.db2.gz UAUFPEHBYKKYLH-UHFFFAOYSA-N 0 0 433.552 5.838 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000009680560 569560105 /nfs/dbraw/zinc/56/01/05/569560105.db2.gz VWGFCEJNPMZEFB-UHFFFAOYSA-N 0 0 431.923 5.613 50 0 biogenic IKAARN CCc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc2n1 ZINC000009680722 569560160 /nfs/dbraw/zinc/56/01/60/569560160.db2.gz IIRGEYVFXNVFKM-UHFFFAOYSA-N 0 0 429.951 6.167 50 0 IKAARN Cc1cc(C)cc(Nc2cc(C(=O)NC[C@@H]3COc4ccccc4O3)c3ccccc3n2)c1 ZINC000009680817 569560170 /nfs/dbraw/zinc/56/01/70/569560170.db2.gz WCIHGFUKPNKGHF-HXUWFJFHSA-N 0 0 439.515 5.165 50 0 IKAARN Cc1ccc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)c(C)c1 ZINC000009680786 569560176 /nfs/dbraw/zinc/56/01/76/569560176.db2.gz PAPIPTCBSXDMHK-UHFFFAOYSA-N 0 0 429.951 6.221 50 0 IKAARN CC(C)c1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000009680860 569560180 /nfs/dbraw/zinc/56/01/80/569560180.db2.gz LQNNDOYRAHPUDJ-UHFFFAOYSA-N 0 0 429.951 6.685 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000009680757 569560199 /nfs/dbraw/zinc/56/01/99/569560199.db2.gz KYCLMRWGJDYYDO-UHFFFAOYSA-N 0 0 441.487 5.036 50 0 IKAARN Cc1cc(C)cc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000009680813 569560213 /nfs/dbraw/zinc/56/02/13/569560213.db2.gz BUJNGHBFHTYQEY-UHFFFAOYSA-N 0 0 429.951 6.221 50 0 IKAARN CCN(CCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc21)c1ccccc1 ZINC000009680937 569560270 /nfs/dbraw/zinc/56/02/70/569560270.db2.gz GHRAIYPAOJZNAC-UHFFFAOYSA-N 0 0 440.547 5.243 50 0 IKAARN CCCCc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)c(C)s3)n2)cc1 ZINC000009683172 569560299 /nfs/dbraw/zinc/56/02/99/569560299.db2.gz YRGUIQNCZWUPOD-UHFFFAOYSA-N 0 0 425.022 7.905 50 0 IKAARN CC(=O)N(c1nc(CSc2n[nH]c(-c3ccc(C)cc3)n2)cs1)c1ccc(C)c(C)c1 ZINC000009683599 569560339 /nfs/dbraw/zinc/56/03/39/569560339.db2.gz XXFRFBUXPKRNRS-UHFFFAOYSA-N 0 0 449.605 5.830 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000009683948 569560497 /nfs/dbraw/zinc/56/04/97/569560497.db2.gz NYGAEKPSHZKGPI-ZDUSSCGKSA-N 0 0 448.951 5.955 50 0 IKAARN Cn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009685418 569560661 /nfs/dbraw/zinc/56/06/61/569560661.db2.gz GIIGGISCMUDLDF-KRWDZBQOSA-N 0 0 438.603 5.166 50 0 IKAARN CSc1cccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000009685515 569560668 /nfs/dbraw/zinc/56/06/68/569560668.db2.gz XPYGBIPIGALQEP-UHFFFAOYSA-N 0 0 428.579 5.154 50 0 IKAARN CCc1cccc(C)c1NC(=O)CCCN1c2ccccc2Sc2ncccc2C1=O ZINC000009687803 569560837 /nfs/dbraw/zinc/56/08/37/569560837.db2.gz ZITWQRHEGPDYOS-UHFFFAOYSA-N 0 0 431.561 5.483 50 0 IKAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000009689843 569560900 /nfs/dbraw/zinc/56/09/00/569560900.db2.gz QNVFIUSYKBQWSO-QGZVFWFLSA-N 0 0 441.000 5.140 50 0 IKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000009689049 569560921 /nfs/dbraw/zinc/56/09/21/569560921.db2.gz BKFMXJZFOMMKQF-UHFFFAOYSA-N 0 0 437.883 5.484 50 0 IKAARN COc1ccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c(OC)c1 ZINC000009693725 569561099 /nfs/dbraw/zinc/56/10/99/569561099.db2.gz MTYOFCSYOLVONU-UHFFFAOYSA-N 0 0 442.968 5.515 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000009693727 569561131 /nfs/dbraw/zinc/56/11/31/569561131.db2.gz KXWOBLLJXLOHOS-UHFFFAOYSA-N 0 0 447.387 6.160 50 0 IKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1ccc2c(c1)OCO2 ZINC000009693735 569561182 /nfs/dbraw/zinc/56/11/82/569561182.db2.gz MAZBVCHSXFBYSG-UHFFFAOYSA-N 0 0 426.925 5.227 50 0 IKAARN COc1ccc(OC)c(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c1 ZINC000009693734 569561190 /nfs/dbraw/zinc/56/11/90/569561190.db2.gz BWDVZEOVPNAIIU-UHFFFAOYSA-N 0 0 442.968 5.515 50 0 IKAARN CCn1c2ccccc2c2cc(Nc3c4cc(Cl)ccc4nc4c3CCCC4)ccc21 ZINC000009693768 569561194 /nfs/dbraw/zinc/56/11/94/569561194.db2.gz RUTXRBAYWINYES-UHFFFAOYSA-N 0 0 425.963 7.638 50 0 IKAARN Cc1ccc(-c2noc(CN(C(=O)c3ccc(Br)o3)C3CCCCC3)n2)cc1 ZINC000009698548 569561227 /nfs/dbraw/zinc/56/12/27/569561227.db2.gz NRQHMLPYXHFUHR-UHFFFAOYSA-N 0 0 444.329 5.376 50 0 IKAARN C[C@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc(Cl)cc1 ZINC000009703484 569561280 /nfs/dbraw/zinc/56/12/80/569561280.db2.gz QZHLFIUEMJNFIX-NSHDSACASA-N 0 0 439.990 5.425 50 0 IKAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000009707687 569561595 /nfs/dbraw/zinc/56/15/95/569561595.db2.gz UHZSRQRFAXZAMC-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 ZINC000009707721 569561690 /nfs/dbraw/zinc/56/16/90/569561690.db2.gz LIPOFPDKWWPNKB-UHFFFAOYSA-N 0 0 441.361 5.163 50 0 IKAARN CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(SC)c3)sc2c1 ZINC000009708013 569561805 /nfs/dbraw/zinc/56/18/05/569561805.db2.gz NNXTUSFXAOAICL-UHFFFAOYSA-N 0 0 435.574 5.659 50 0 IKAARN Cc1nnc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1C1CC1 ZINC000009711841 569562034 /nfs/dbraw/zinc/56/20/34/569562034.db2.gz KRLHNAVKZGVXAY-SFHVURJKSA-N 0 0 432.471 5.412 50 0 IKAARN Cc1nnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1C1CC1 ZINC000009711842 569562050 /nfs/dbraw/zinc/56/20/50/569562050.db2.gz KRLHNAVKZGVXAY-GOSISDBHSA-N 0 0 432.471 5.412 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1-c1ccccc1 ZINC000009711878 569562059 /nfs/dbraw/zinc/56/20/59/569562059.db2.gz QCPOGPIKQZMIFU-JOCHJYFZSA-N 0 0 444.560 5.122 50 0 IKAARN CCN(C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc21 ZINC000009711776 569562060 /nfs/dbraw/zinc/56/20/60/569562060.db2.gz JPZCDHWSMHZVKZ-INIZCTEOSA-N 0 0 448.617 6.028 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1cccc(C)c1C ZINC000009711812 569562094 /nfs/dbraw/zinc/56/20/94/569562094.db2.gz UIUAJMGSUSOXCQ-UHFFFAOYSA-N 0 0 439.610 5.541 50 0 IKAARN COc1ccc(-c2csc3nc(C)nc(Sc4nnc(C5CC5)o4)c23)cc1OC ZINC000009712135 569562103 /nfs/dbraw/zinc/56/21/03/569562103.db2.gz YTPKETPIGGCTOU-UHFFFAOYSA-N 0 0 426.523 5.096 50 0 IKAARN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1NC(=O)c1ccco1 ZINC000009712170 569562186 /nfs/dbraw/zinc/56/21/86/569562186.db2.gz MTFBTNHUSDWOSA-HXUWFJFHSA-N 0 0 445.544 5.817 50 0 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O=C([O-])c1c(C[NH2+]CCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccc(F)cc1 ZINC000009831755 569570191 /nfs/dbraw/zinc/57/01/91/569570191.db2.gz CXBJWOXMWKFKFH-UHFFFAOYSA-N 0 0 441.506 5.341 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCc2c[nH]c3ccccc23)c1C(=O)[O-] ZINC000009831752 569570234 /nfs/dbraw/zinc/57/02/34/569570234.db2.gz FQDBVYMUOXDLJA-UHFFFAOYSA-N 0 0 437.543 5.510 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3cccc(Cl)c3)c2C(=O)[O-])c1 ZINC000009833303 569570326 /nfs/dbraw/zinc/57/03/26/569570326.db2.gz MXVAPEGKQCIXJH-UHFFFAOYSA-N 0 0 434.923 5.340 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3cc(C)ccc3C)c2C(=O)[O-])c1 ZINC000009833322 569570329 /nfs/dbraw/zinc/57/03/29/569570329.db2.gz QUTJEOCDMXNEHT-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN O=C([O-])c1c(C[NH2+][C@@H]2CCCc3ccccc32)c2ccccc2n1Cc1ccccc1F ZINC000009833319 569570344 /nfs/dbraw/zinc/57/03/44/569570344.db2.gz YTRRQCKPVJENGA-XMMPIXPASA-N 0 0 428.507 5.694 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3OC)c2C(=O)[O-])cc1 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Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000009847379 569571136 /nfs/dbraw/zinc/57/11/36/569571136.db2.gz AMDNMDDGXFJLFX-UHFFFAOYSA-N 0 0 446.528 5.199 50 0 IKAARN Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000009847527 569571144 /nfs/dbraw/zinc/57/11/44/569571144.db2.gz HOFHFHGHRQAXRI-UHFFFAOYSA-N 0 0 447.531 5.671 50 0 IKAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)CCc3ccccc3)n2)cc1 ZINC000009847127 569571146 /nfs/dbraw/zinc/57/11/46/569571146.db2.gz ULFBMIOHLYZLJC-UHFFFAOYSA-N 0 0 439.563 5.392 50 0 IKAARN Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009847489 569571147 /nfs/dbraw/zinc/57/11/47/569571147.db2.gz ZUASMFFDOBWIET-UHFFFAOYSA-N 0 0 435.932 5.569 50 0 IKAARN CCOc1ccc2nc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)sc2c1 ZINC000009848008 569571153 /nfs/dbraw/zinc/57/11/53/569571153.db2.gz ZYPOKHDCFWIAQU-SFHVURJKSA-N 0 0 437.609 5.049 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4Cl)C3)sc2c1 ZINC000009848091 569571159 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435.527 6.000 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)cc3)no1)cn2Cc1cccc(C)c1 ZINC000009941307 569573986 /nfs/dbraw/zinc/57/39/86/569573986.db2.gz IPLCPZJBCIJKJO-UHFFFAOYSA-N 0 0 435.527 5.946 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3C)nn2[C@H]1c1ccc(C)cc1 ZINC000009942401 569573993 /nfs/dbraw/zinc/57/39/93/569573993.db2.gz SPZUONOPHVARIG-NRFANRHFSA-N 0 0 434.565 5.039 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(Cl)cc1 ZINC000009942254 569573999 /nfs/dbraw/zinc/57/39/99/569573999.db2.gz CJONTDFRGGHNDU-IBGZPJMESA-N 0 0 440.956 5.076 50 0 IKAARN CCC(=O)n1nc(NCc2cccc3ccccc32)nc1NCc1cccc2ccccc21 ZINC000009948702 569574118 /nfs/dbraw/zinc/57/41/18/569574118.db2.gz ZUMVUEPIXOBNSW-UHFFFAOYSA-N 0 0 435.531 5.859 50 0 IKAARN FC(F)(F)c1ccccc1-n1c(CN2CCCCC2)nnc1SCc1ccccc1 ZINC000009946403 569574122 /nfs/dbraw/zinc/57/41/22/569574122.db2.gz BRARPMRNHSOUGZ-UHFFFAOYSA-N 0 0 432.515 5.564 50 0 IKAARN CC(C)C(=O)n1nc(NCc2cccc3ccccc32)nc1NCc1cccc2ccccc21 ZINC000009948707 569574141 /nfs/dbraw/zinc/57/41/41/569574141.db2.gz LDBGXFFYTXKGPB-UHFFFAOYSA-N 0 0 449.558 6.105 50 0 IKAARN CC[C@H](C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000009948957 569574218 /nfs/dbraw/zinc/57/42/18/569574218.db2.gz FBPBYNSCMCLWGN-KRWDZBQOSA-N 0 0 431.561 5.586 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000009950000 569574313 /nfs/dbraw/zinc/57/43/13/569574313.db2.gz RPJHSGIPQHPNOE-NRFANRHFSA-N 0 0 428.941 5.598 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCc3cnn(-c4ccccc4)c3)ccc2OC)cc1 ZINC000009951228 569574450 /nfs/dbraw/zinc/57/44/50/569574450.db2.gz SXHFXTXJDLVWLL-UHFFFAOYSA-N 0 0 427.504 5.128 50 0 IKAARN COc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)c(OC)cc1NC(=O)c1ccccc1 ZINC000009951062 569574452 /nfs/dbraw/zinc/57/44/52/569574452.db2.gz KCGWPXZYIQXAOQ-UHFFFAOYSA-N 0 0 438.568 5.747 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000009951416 569574503 /nfs/dbraw/zinc/57/45/03/569574503.db2.gz QJIZWSWQFPIVDE-IBGZPJMESA-N 0 0 447.560 5.500 50 0 IKAARN C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000009958102 569574870 /nfs/dbraw/zinc/57/48/70/569574870.db2.gz QVBPATAEKNXPPA-VIFPVBQESA-N 0 0 428.341 5.770 50 0 IKAARN C[C@@H]1CCN(C(=O)CSc2nnc(NCc3ccccc3)s2)c2ccccc2S1 ZINC000009952812 569574628 /nfs/dbraw/zinc/57/46/28/569574628.db2.gz SVOMIWLBYKBOMH-OAHLLOKOSA-N 0 0 442.635 5.160 50 0 IKAARN O=C(CCC(=O)c1cccs1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000009952728 569574640 /nfs/dbraw/zinc/57/46/40/569574640.db2.gz VGIVCVKUDQXPOW-GOSISDBHSA-N 0 0 436.964 5.794 50 0 IKAARN Cc1nc(Cc2nnc(S[C@@H](C(=O)c3ccc(C)cc3)c3ccc(C)cc3)o2)cs1 ZINC000009953317 569574681 /nfs/dbraw/zinc/57/46/81/569574681.db2.gz RXWFZZRVJGIUIK-JOCHJYFZSA-N 0 0 435.574 5.758 50 0 IKAARN C[C@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1Cl ZINC000009956729 569574752 /nfs/dbraw/zinc/57/47/52/569574752.db2.gz JQYIFRBUTKTEKC-OAHLLOKOSA-N 0 0 435.940 5.339 50 0 IKAARN CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1 ZINC000071326550 569574916 /nfs/dbraw/zinc/57/49/16/569574916.db2.gz PFVNBUUXBMOTJM-UHFFFAOYSA-N 0 0 430.371 5.450 50 0 IKAARN CC(C)c1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)cc1 ZINC000009958946 569574957 /nfs/dbraw/zinc/57/49/57/569574957.db2.gz KHQXTLVFQYDDKW-UHFFFAOYSA-N 0 0 446.478 5.965 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000009958836 569574973 /nfs/dbraw/zinc/57/49/73/569574973.db2.gz URXMUPYYTZYLNA-MRXNPFEDSA-N 0 0 430.460 5.100 50 0 IKAARN CCOc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000009959003 569575013 /nfs/dbraw/zinc/57/50/13/569575013.db2.gz QGPKXLZEKJZHIS-UHFFFAOYSA-N 0 0 432.451 5.404 50 0 IKAARN CC(C)c1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009959105 569575077 /nfs/dbraw/zinc/57/50/77/569575077.db2.gz ORAXRSCFPFXXHC-UHFFFAOYSA-N 0 0 446.478 5.965 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)c(OC)c1 ZINC000009959395 569575100 /nfs/dbraw/zinc/57/51/00/569575100.db2.gz HKMSOMSDIPAMOI-UHFFFAOYSA-N 0 0 444.487 5.192 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)cc1 ZINC000009959218 569575131 /nfs/dbraw/zinc/57/51/31/569575131.db2.gz YSSCCYHBQKBFKN-UHFFFAOYSA-N 0 0 444.487 5.410 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000009959188 569575133 /nfs/dbraw/zinc/57/51/33/569575133.db2.gz BLUACUYEMWIVIB-UHFFFAOYSA-N 0 0 444.487 5.274 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000009959174 569575135 /nfs/dbraw/zinc/57/51/35/569575135.db2.gz ZTKYGTJGOXXHCD-UHFFFAOYSA-N 0 0 436.414 5.614 50 0 IKAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000009959286 569575141 /nfs/dbraw/zinc/57/51/41/569575141.db2.gz BUMJAYZDKXNTHK-UHFFFAOYSA-N 0 0 430.460 5.020 50 0 IKAARN Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1C ZINC000009959604 569575172 /nfs/dbraw/zinc/57/51/72/569575172.db2.gz LLLFXWWCZHKJEE-UHFFFAOYSA-N 0 0 430.504 5.171 50 0 IKAARN Cc1ccc(C)c(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(Cl)cc3)c2=O)c1 ZINC000009959483 569575177 /nfs/dbraw/zinc/57/51/77/569575177.db2.gz OKLQZMLRDZUQHO-UHFFFAOYSA-N 0 0 446.959 5.686 50 0 IKAARN Cc1ccccc1Cn1c2c3ccccc3sc2c(=O)n(-c2cc(Cl)ccc2C)c1=O ZINC000009959737 569575223 /nfs/dbraw/zinc/57/52/23/569575223.db2.gz SSVYBGIMYBXAJK-UHFFFAOYSA-N 0 0 446.959 5.686 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccc(F)cc1 ZINC000071327578 569575301 /nfs/dbraw/zinc/57/53/01/569575301.db2.gz KDVHWQRAHPFWKR-UHFFFAOYSA-N 0 0 434.920 5.730 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2)n1-c1ccc(Br)cc1 ZINC000071327546 569575320 /nfs/dbraw/zinc/57/53/20/569575320.db2.gz UKUDEKRGTKQGPQ-UHFFFAOYSA-N 0 0 447.354 5.641 50 0 IKAARN O=c1c2sccc2nc(SCCc2ccccc2)n1-c1ccc(Br)cc1 ZINC000071327535 569575337 /nfs/dbraw/zinc/57/53/37/569575337.db2.gz FPTRHOJWVSHQEU-UHFFFAOYSA-N 0 0 443.391 5.545 50 0 IKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)cc1C ZINC000071327650 569575379 /nfs/dbraw/zinc/57/53/79/569575379.db2.gz YZIOMKMHYCOTQZ-UHFFFAOYSA-N 0 0 441.021 6.263 50 0 IKAARN C[C@@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nnc(-c2cccs2)o1 ZINC000009960170 569575382 /nfs/dbraw/zinc/57/53/82/569575382.db2.gz XWZYWCQFILHQIO-LLVKDONJSA-N 0 0 434.395 5.995 50 0 IKAARN O=c1c2sccc2nc(SCc2cc(F)ccc2F)n1CCc1ccc(Cl)cc1 ZINC000071327663 569575399 /nfs/dbraw/zinc/57/53/99/569575399.db2.gz PLHVIFQJPKYRSL-UHFFFAOYSA-N 0 0 448.947 5.925 50 0 IKAARN Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000009961120 569575569 /nfs/dbraw/zinc/57/55/69/569575569.db2.gz MYEJHAKJPUVDJD-UHFFFAOYSA-N 0 0 430.715 5.214 50 0 IKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc1N=C2C ZINC000009963310 569575721 /nfs/dbraw/zinc/57/57/21/569575721.db2.gz QDANKRVSMSSFSB-JOCHJYFZSA-N 0 0 426.585 6.716 50 0 IKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)NCc3ccc4c(c3)OCO4)cc1N=C2C ZINC000009963313 569575756 /nfs/dbraw/zinc/57/57/56/569575756.db2.gz MRSKPUSZWSXGEU-UHFFFAOYSA-N 0 0 430.529 5.567 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2cccc(C)c2)cc1 ZINC000009963674 569575823 /nfs/dbraw/zinc/57/58/23/569575823.db2.gz XZSDQFIEHAMRGB-UHFFFAOYSA-N 0 0 442.628 6.309 50 0 IKAARN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009963843 569575861 /nfs/dbraw/zinc/57/58/61/569575861.db2.gz DYMVSNSIRYRSKL-HKUYNNGSSA-N 0 0 449.620 5.118 50 0 IKAARN O=C([O-])c1c(C[NH2+][C@H]2CCCc3ccccc32)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000009968996 569575962 /nfs/dbraw/zinc/57/59/62/569575962.db2.gz YEICDNNCRCEQPH-DEOSSOPVSA-N 0 0 444.962 6.208 50 0 IKAARN CCCCc1ccc(-c2nc3ccccc3c(Nc3cc(Cl)c(OC)cc3OC)n2)cc1 ZINC000009968724 569575978 /nfs/dbraw/zinc/57/59/78/569575978.db2.gz ILZMZDKVCCUDFL-UHFFFAOYSA-N 0 0 447.966 7.054 50 0 IKAARN COc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000009969009 569575984 /nfs/dbraw/zinc/57/59/84/569575984.db2.gz GODKEHYZVFAYEN-UHFFFAOYSA-N 0 0 434.923 5.340 50 0 IKAARN C[C@@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccccc2Cl)c1C(=O)[O-] ZINC000009968987 569575999 /nfs/dbraw/zinc/57/59/99/569575999.db2.gz TZGGBTKXXFOWRD-IBGZPJMESA-N 0 0 446.978 6.152 50 0 IKAARN Cc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3Cl)c2C(=O)[O-])cc1 ZINC000009969054 569576014 /nfs/dbraw/zinc/57/60/14/569576014.db2.gz BFTCDKRTLADXCI-UHFFFAOYSA-N 0 0 436.914 5.779 50 0 IKAARN O=C([O-])c1c(C[NH2+]CCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009969060 569576030 /nfs/dbraw/zinc/57/60/30/569576030.db2.gz ULWAEBNXNQQRJY-UHFFFAOYSA-N 0 0 436.914 5.513 50 0 IKAARN O=C([O-])c1c(C[NH2+]Cc2cccs2)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009969087 569576059 /nfs/dbraw/zinc/57/60/59/569576059.db2.gz ZTBGDMZNFZPENK-UHFFFAOYSA-N 0 0 428.916 5.532 50 0 IKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc12 ZINC000009969715 569576120 /nfs/dbraw/zinc/57/61/20/569576120.db2.gz RIXRZKGHCCJLSZ-UHFFFAOYSA-N 0 0 426.516 5.274 50 0 IKAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(C)cc32)cc1 ZINC000009969481 569576133 /nfs/dbraw/zinc/57/61/33/569576133.db2.gz NBWXRGLTQOVWNC-UHFFFAOYSA-N 0 0 429.541 5.532 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000009969952 569576156 /nfs/dbraw/zinc/57/61/56/569576156.db2.gz PZJAGYPCPAXDTE-HXUWFJFHSA-N 0 0 445.994 6.274 50 0 IKAARN O=C(CN1c2ccccc2S[C@H](c2ccccc2)CC1=O)NCc1ccccc1Cl ZINC000009970168 569576168 /nfs/dbraw/zinc/57/61/68/569576168.db2.gz VBNFKTHZXPZMIF-QFIPXVFZSA-N 0 0 436.964 5.227 50 0 IKAARN CC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1 ZINC000009970164 569576177 /nfs/dbraw/zinc/57/61/77/569576177.db2.gz ZMIXEKBBPLFJJJ-QHCPKHFHSA-N 0 0 430.529 5.098 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000009975608 569576427 /nfs/dbraw/zinc/57/64/27/569576427.db2.gz UZRPBUFCDXIEDV-SFHVURJKSA-N 0 0 433.430 5.110 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000009982886 569576535 /nfs/dbraw/zinc/57/65/35/569576535.db2.gz BJNOUHKWNLJBMR-UHFFFAOYSA-N 0 0 432.549 5.441 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 ZINC000009983935 569576592 /nfs/dbraw/zinc/57/65/92/569576592.db2.gz HACHECDBDRDQQV-GOSISDBHSA-N 0 0 446.551 5.102 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1ccccc1F)CC2 ZINC000009984226 569576646 /nfs/dbraw/zinc/57/66/46/569576646.db2.gz WGGWFZQQOGGDIL-RUZDIDTESA-N 0 0 437.536 5.109 50 0 IKAARN Cc1ccc(C(=O)[C@H](Sc2nnc(-c3cccnc3)n2C2CC2)c2ccc(C)cc2)cc1 ZINC000009984773 569576653 /nfs/dbraw/zinc/57/66/53/569576653.db2.gz RRPFBWPJEMWEHP-XMMPIXPASA-N 0 0 440.572 6.008 50 0 IKAARN CCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N ZINC000009993126 569576933 /nfs/dbraw/zinc/57/69/33/569576933.db2.gz KJRNVQHBVKSHPJ-UHFFFAOYSA-N 0 0 428.604 5.848 50 0 IKAARN CC1CCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@@H](C(C)(C)C)CC3)CC1 ZINC000009994673 569576977 /nfs/dbraw/zinc/57/69/77/569576977.db2.gz SQBFANKSJCUQTM-INIZCTEOSA-N 0 0 444.666 6.085 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@@H](C(C)(C)C)CC3)C1 ZINC000009994717 569576986 /nfs/dbraw/zinc/57/69/86/569576986.db2.gz ULBRUAFQJPRXNY-CVEARBPZSA-N 0 0 444.666 6.085 50 0 IKAARN C[C@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2ccccc2)C[C@H](C(C)(C)C)CC3)C1 ZINC000009994707 569576991 /nfs/dbraw/zinc/57/69/91/569576991.db2.gz WHHNCYSMALZNNE-PKOBYXMFSA-N 0 0 438.637 6.024 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@H](C(C)(C)C)CC3)C1 ZINC000009994713 569577028 /nfs/dbraw/zinc/57/70/28/569577028.db2.gz ULBRUAFQJPRXNY-HZPDHXFCSA-N 0 0 444.666 6.085 50 0 IKAARN CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000010013431 569577066 /nfs/dbraw/zinc/57/70/66/569577066.db2.gz OEAUIHDJOJENFB-MHZLTWQESA-N 0 0 439.584 5.876 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000010013449 569577085 /nfs/dbraw/zinc/57/70/85/569577085.db2.gz DBZOXYAHPCKLMB-XMMPIXPASA-N 0 0 442.515 5.437 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc(C)cc3)C2)cc1OC ZINC000010013864 569577112 /nfs/dbraw/zinc/57/71/12/569577112.db2.gz DFIROOVXGPBIEQ-QFIPXVFZSA-N 0 0 434.923 5.657 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000010013802 569577114 /nfs/dbraw/zinc/57/71/14/569577114.db2.gz JGCPKKZWKFVWQE-NDEPHWFRSA-N 0 0 432.523 6.608 50 0 IKAARN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000010021534 569577166 /nfs/dbraw/zinc/57/71/66/569577166.db2.gz WOYHKAGYIMSXER-JTSKRJEESA-N 0 0 447.608 5.311 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc3sc4ccccc4n23)o1 ZINC000010022223 569577228 /nfs/dbraw/zinc/57/72/28/569577228.db2.gz JPQLSACFTBPATQ-UHFFFAOYSA-N 0 0 446.517 5.250 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1NC(=O)N[C@@H](C)c1cccs1 ZINC000010035402 569577387 /nfs/dbraw/zinc/57/73/87/569577387.db2.gz MROFKNGAAKLGKK-CABCVRRESA-N 0 0 428.583 5.883 50 0 IKAARN CC(C)c1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000010096134 569577741 /nfs/dbraw/zinc/57/77/41/569577741.db2.gz DUHKNBVLQLGPGA-UHFFFAOYSA-N 0 0 436.349 5.985 50 0 IKAARN COc1ccc(-c2nnc(SC[C@H](O)c3ccccc3)n2C2CCCCC2)cc1OC ZINC000010093986 569577760 /nfs/dbraw/zinc/57/77/60/569577760.db2.gz AVMMLOXFNWOKRA-FQEVSTJZSA-N 0 0 439.581 5.293 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000010142101 569578138 /nfs/dbraw/zinc/57/81/38/569578138.db2.gz ZMDHLUQRBMDDRE-OALUTQOASA-N 0 0 449.620 5.130 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3ccc(C)cc3C)nc21 ZINC000010186768 569578504 /nfs/dbraw/zinc/57/85/04/569578504.db2.gz ZGMIWDCEDAACRP-UHFFFAOYSA-N 0 0 447.560 5.101 50 0 IKAARN CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)nc21 ZINC000010187567 569578560 /nfs/dbraw/zinc/57/85/60/569578560.db2.gz DYHBWYNQKLTODR-UHFFFAOYSA-N 0 0 431.517 5.140 50 0 IKAARN CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)sc2c1 ZINC000010187622 569578622 /nfs/dbraw/zinc/57/86/22/569578622.db2.gz PZBNYJDSARUQSI-UHFFFAOYSA-N 0 0 431.517 5.140 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccccc3Cl)nc21 ZINC000010187663 569578628 /nfs/dbraw/zinc/57/86/28/569578628.db2.gz RCJGTUSPQYKKAU-UHFFFAOYSA-N 0 0 439.924 5.209 50 0 IKAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000010187593 569578635 /nfs/dbraw/zinc/57/86/35/569578635.db2.gz KMFZFVSCMGXACE-UHFFFAOYSA-N 0 0 443.450 5.566 50 0 IKAARN COc1ccc2nc(N(Cc3cccnc3)C(=O)CCSc3ccc(C)cc3)sc2c1 ZINC000010187727 569578690 /nfs/dbraw/zinc/57/86/90/569578690.db2.gz WPRMCGPUYANWDX-UHFFFAOYSA-N 0 0 449.601 5.724 50 0 IKAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)CCSc3ccc(C)cc3)nc21 ZINC000010187736 569578691 /nfs/dbraw/zinc/57/86/91/569578691.db2.gz NVDYTXNTBUFELD-UHFFFAOYSA-N 0 0 449.601 5.724 50 0 IKAARN CCN(C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1cccc(C)c1 ZINC000010188191 569578821 /nfs/dbraw/zinc/57/88/21/569578821.db2.gz XWJXNPKODBMNFM-UHFFFAOYSA-N 0 0 431.923 5.073 50 0 IKAARN CCOc1ccc(-n2c(SC[C@H](O)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 ZINC000010188630 569578933 /nfs/dbraw/zinc/57/89/33/569578933.db2.gz AERRHYDIDCETJX-QHCPKHFHSA-N 0 0 447.560 5.167 50 0 IKAARN CCOc1ccc(-n2c(SC[C@@H](O)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 ZINC000010188631 569578945 /nfs/dbraw/zinc/57/89/45/569578945.db2.gz AERRHYDIDCETJX-HSZRJFAPSA-N 0 0 447.560 5.167 50 0 IKAARN O[C@@H](COc1ccc(-c2ccccc2)cc1)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000010202587 569578977 /nfs/dbraw/zinc/57/89/77/569578977.db2.gz NXAMHVKGDUOONM-KRWDZBQOSA-N 0 0 446.359 5.235 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccccc3c2=O)c(C)c1 ZINC000010211452 569578998 /nfs/dbraw/zinc/57/89/98/569578998.db2.gz FNSFDUBCNCWTMS-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN Fc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCCC3)n2)cc1Cl ZINC000010213438 569579027 /nfs/dbraw/zinc/57/90/27/569579027.db2.gz CJUSDONWRTZAHJ-UHFFFAOYSA-N 0 0 437.281 5.544 50 0 IKAARN CC(=O)c1sc(-c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)nc1C ZINC000010213248 569579043 /nfs/dbraw/zinc/57/90/43/569579043.db2.gz GDTIQAIIBHRRFI-UHFFFAOYSA-N 0 0 448.588 5.181 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc43)CC2)c(Br)c1 ZINC000010225113 569579310 /nfs/dbraw/zinc/57/93/10/569579310.db2.gz XIKDIKZHMZWUCZ-MRXNPFEDSA-N 0 0 440.385 5.445 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(F)c1)N(c1nccs1)C3=O ZINC000010233034 569579391 /nfs/dbraw/zinc/57/93/91/569579391.db2.gz VNHGBYVJEMNGRX-KRWDZBQOSA-N 0 0 426.856 5.100 50 0 IKAARN CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000010233181 569579462 /nfs/dbraw/zinc/57/94/62/569579462.db2.gz WKVICGGDPROIQZ-HXUWFJFHSA-N 0 0 432.501 5.015 50 0 IKAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(Br)cc1 ZINC000010236744 569579670 /nfs/dbraw/zinc/57/96/70/569579670.db2.gz OAAWHRYGOYCYHU-UHFFFAOYSA-N 0 0 430.302 5.146 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F ZINC000010246192 569579728 /nfs/dbraw/zinc/57/97/28/569579728.db2.gz YDMJLYQHNYGHKQ-UHFFFAOYSA-N 0 0 428.341 5.494 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)c1 ZINC000010246493 569579753 /nfs/dbraw/zinc/57/97/53/569579753.db2.gz JWEIAWQDIVPBTK-UHFFFAOYSA-N 0 0 430.460 5.263 50 0 IKAARN Cc1cc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)ccc1Br ZINC000010253830 569579959 /nfs/dbraw/zinc/57/99/59/569579959.db2.gz BWWPYROJMUXPRL-UHFFFAOYSA-N 0 0 449.139 5.937 50 0 IKAARN COc1cccc(Nc2nnc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)s2)c1 ZINC000010267626 569579994 /nfs/dbraw/zinc/57/99/94/569579994.db2.gz YLLBNUUYFUOKNF-LLVKDONJSA-N 0 0 445.595 5.058 50 0 IKAARN Cc1ccn2cc(-c3cccc(NC(=O)C4c5ccccc5Oc5ccccc54)c3)nc2c1 ZINC000010272029 569580130 /nfs/dbraw/zinc/58/01/30/569580130.db2.gz CUJKZDSFSQOTDQ-UHFFFAOYSA-N 0 0 431.495 6.186 50 0 IKAARN Cc1cccn2cc(-c3cccc(NC(=O)C4c5ccccc5Oc5ccccc54)c3)nc12 ZINC000010272030 569580147 /nfs/dbraw/zinc/58/01/47/569580147.db2.gz UVUKTXMIVOIBKA-UHFFFAOYSA-N 0 0 431.495 6.186 50 0 IKAARN CCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1cc(Cl)ccc1C ZINC000010272390 569580163 /nfs/dbraw/zinc/58/01/63/569580163.db2.gz RFBMCXBNFFNIDV-UHFFFAOYSA-N 0 0 434.970 5.060 50 0 IKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cc(Br)cs1 ZINC000010272153 569580204 /nfs/dbraw/zinc/58/02/04/569580204.db2.gz YHKSVGMBLZAQKX-UHFFFAOYSA-N 0 0 448.194 6.117 50 0 IKAARN CSc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)c1 ZINC000010273938 569580291 /nfs/dbraw/zinc/58/02/91/569580291.db2.gz DIPXVRQEKVSXLY-UHFFFAOYSA-N 0 0 443.572 5.522 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(S[C@H]2CCCCNC2=O)n1C1CCCCC1 ZINC000010286654 569580534 /nfs/dbraw/zinc/58/05/34/569580534.db2.gz CSSKRZNHDMSALF-IBGZPJMESA-N 0 0 449.020 5.085 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000010307719 569580651 /nfs/dbraw/zinc/58/06/51/569580651.db2.gz UYLHLOSEWHVPDV-UHFFFAOYSA-N 0 0 448.954 5.106 50 0 IKAARN O=c1c2sccc2nc(SCc2cccc(Cl)c2)n1CCc1ccc(Cl)cc1 ZINC000071768759 569580791 /nfs/dbraw/zinc/58/07/91/569580791.db2.gz WGKGEYIQZUCIAN-UHFFFAOYSA-N 0 0 447.412 6.300 50 0 IKAARN COc1ccccc1-n1c(-c2ccccc2)cnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000010322640 569580951 /nfs/dbraw/zinc/58/09/51/569580951.db2.gz HAHRTFCZKXLJHT-UHFFFAOYSA-N 0 0 440.528 5.077 50 0 IKAARN CCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)cc1 ZINC000010336143 569581131 /nfs/dbraw/zinc/58/11/31/569581131.db2.gz ZJPPKDRKTDJBMW-UHFFFAOYSA-N 0 0 439.515 5.018 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 ZINC000010336736 569581146 /nfs/dbraw/zinc/58/11/46/569581146.db2.gz SOEVTCLAOPWVQX-VQTJNVASSA-N 0 0 437.887 5.087 50 0 IKAARN Fc1ccccc1[C@@H]1C2C(=Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 ZINC000010336744 569581160 /nfs/dbraw/zinc/58/11/60/569581160.db2.gz KTCBMXXVDGBOPP-WOJBJXKFSA-N 0 0 437.887 5.087 50 0 IKAARN CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn32)cc1 ZINC000010343825 569581359 /nfs/dbraw/zinc/58/13/59/569581359.db2.gz NNYWDMCYBFADHZ-UHFFFAOYSA-N 0 0 446.860 6.519 50 0 IKAARN O=C(C[C@H](Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1)NCCc1ccccc1 ZINC000010381791 569581658 /nfs/dbraw/zinc/58/16/58/569581658.db2.gz SBKQCZAYBOHLOW-QFIPXVFZSA-N 0 0 428.561 5.054 50 0 IKAARN COc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000010381614 569581686 /nfs/dbraw/zinc/58/16/86/569581686.db2.gz QTAPMKABWFVLNP-VQHVLOKHSA-N 0 0 438.578 5.008 50 0 IKAARN Cc1nc2c3ccccc3nc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2n1 ZINC000071818164 569581911 /nfs/dbraw/zinc/58/19/11/569581911.db2.gz JWJFQJCBMQDZFY-OAQYLSRUSA-N 0 0 443.507 5.197 50 0 IKAARN CC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000010423595 569582060 /nfs/dbraw/zinc/58/20/60/569582060.db2.gz QQQPJQVEOGKENL-XMMPIXPASA-N 0 0 434.967 5.613 50 0 IKAARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000010434529 569582119 /nfs/dbraw/zinc/58/21/19/569582119.db2.gz VESQFUWRDJKXMF-QFIPXVFZSA-N 0 0 426.545 5.689 50 0 IKAARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000010434532 569582121 /nfs/dbraw/zinc/58/21/21/569582121.db2.gz VESQFUWRDJKXMF-JOCHJYFZSA-N 0 0 426.545 5.689 50 0 IKAARN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC(Nc2ccccc2)CC1 ZINC000071841431 569582265 /nfs/dbraw/zinc/58/22/65/569582265.db2.gz LJJOWNWKZCQKDT-UHFFFAOYSA-N 0 0 432.376 5.834 50 0 IKAARN CCc1ccc([C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)c2cccs2)cc1 ZINC000010447728 569582299 /nfs/dbraw/zinc/58/22/99/569582299.db2.gz BHLUMUJXTMBUGU-JOCHJYFZSA-N 0 0 438.618 5.130 50 0 IKAARN CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3[C@H](CC)c3ccccc3)n2)cc1 ZINC000071844216 569582368 /nfs/dbraw/zinc/58/23/68/569582368.db2.gz ZXJKIBLFDXDDCM-DHIUTWEWSA-N 0 0 433.552 5.253 50 0 IKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000071844259 569582371 /nfs/dbraw/zinc/58/23/71/569582371.db2.gz OUOKRJNWCFKZBA-RXVVDRJESA-N 0 0 436.577 5.626 50 0 IKAARN Cc1ccc2nc(-c3ccccc3)c(CSc3nnc(-c4c[nH]c5ccccc54)o3)n2c1 ZINC000010503730 569582576 /nfs/dbraw/zinc/58/25/76/569582576.db2.gz RBVUTRIAVPTBBU-UHFFFAOYSA-N 0 0 437.528 6.133 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2SCC(=O)Nc2ccccc2C)c1-c1ccccc1 ZINC000010490987 569582582 /nfs/dbraw/zinc/58/25/82/569582582.db2.gz MYDQPJSHRLKXBH-UHFFFAOYSA-N 0 0 444.604 6.041 50 0 IKAARN C[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000071869069 569582592 /nfs/dbraw/zinc/58/25/92/569582592.db2.gz 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5.127 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177518 569585838 /nfs/dbraw/zinc/58/58/38/569585838.db2.gz ZADJJCYGSUGDSK-CYBMUJFWSA-N 0 0 446.935 5.418 50 0 IKAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177479 569585841 /nfs/dbraw/zinc/58/58/41/569585841.db2.gz VIMHSMMICINXDD-MRXNPFEDSA-N 0 0 434.496 5.019 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(C3CN(Cc4ccc(Br)cc4)C3)n2)c1 ZINC000077191102 569585895 /nfs/dbraw/zinc/58/58/95/569585895.db2.gz NQKVKIBKGCFQLV-UHFFFAOYSA-N 0 0 438.247 5.117 50 0 IKAARN CCOc1ccc(CC(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)cc1OCC ZINC000077197402 569586227 /nfs/dbraw/zinc/58/62/27/569586227.db2.gz SZCJXRPYYTUWDS-UHFFFAOYSA-N 0 0 449.551 5.052 50 0 IKAARN O=c1c(-c2nc(-c3ccccc3Cl)no2)cccn1Cc1cccc(C(F)(F)F)c1 ZINC000077200498 569586459 /nfs/dbraw/zinc/58/64/59/569586459.db2.gz FIMARBCOMUVCRN-UHFFFAOYSA-N 0 0 431.801 5.286 50 0 IKAARN COc1ccccc1/C=C/C(=O)Nc1scc(-c2ccccc2)c1C(=O)Nc1ccco1 ZINC000019640792 569587008 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432.907 6.134 50 0 IKAARN CCOCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000035730674 569587797 /nfs/dbraw/zinc/58/77/97/569587797.db2.gz IOFGFTBBYSVBCA-RUZDIDTESA-N 0 0 443.547 5.240 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(C)C1CCCCC1 ZINC000036791574 569587998 /nfs/dbraw/zinc/58/79/98/569587998.db2.gz HMDPQTRVJATMGX-SFHVURJKSA-N 0 0 432.593 5.477 50 0 IKAARN Clc1ccc2c(c1)[C@H]1Oc3ccc(Cl)cc3[C@@H]3Oc4ccc(Cl)cc4[C@H](O2)N13 ZINC000196320438 569588187 /nfs/dbraw/zinc/58/81/87/569588187.db2.gz FIMOUKLUPREBRQ-PCCBWWKXSA-N 0 0 432.690 6.522 50 0 IKAARN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 ZINC000053684054 290691732 /nfs/dbraw/zinc/69/17/32/290691732.db2.gz CAHGCLMLTWQZNJ-RGEKOYMOSA-N 0 0 426.729 8.479 50 0 biogenic,in-vivo IKAARN CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C)C(=O)CC[C@H]4[C@]3(C)CC[C@@]2(C)C1 ZINC000006037228 291396938 /nfs/dbraw/zinc/39/69/38/291396938.db2.gz HXPXUNQUXCHJLL-LZQQOHPBSA-N 0 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O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1 ZINC000000639676 193867130 /nfs/dbraw/zinc/86/71/30/193867130.db2.gz DDZKMYVHXMDWTG-UHFFFAOYSA-N 0 0 444.437 6.262 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000640191 193867271 /nfs/dbraw/zinc/86/72/71/193867271.db2.gz REOAFLMBSBJHRF-RUZDIDTESA-N 0 0 434.561 5.738 50 0 IKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccc(C(=O)c2cccs2)cc1 ZINC000000643486 193868388 /nfs/dbraw/zinc/86/83/88/193868388.db2.gz WWPBSFWJPSQEAF-UHFFFAOYSA-N 0 0 425.509 6.246 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3cc(Br)ccc3n2)c1 ZINC000000648104 193870784 /nfs/dbraw/zinc/87/07/84/193870784.db2.gz XBZWAKYXXDLULX-IAGOWNOFSA-N 0 0 437.381 6.091 50 0 IKAARN CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)s1 ZINC000000651031 193872019 /nfs/dbraw/zinc/87/20/19/193872019.db2.gz URSLKGGFCHETNT-UHFFFAOYSA-N 0 0 428.941 5.455 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1 ZINC000000650617 193872108 /nfs/dbraw/zinc/87/21/08/193872108.db2.gz SFMOEPHWQZFBJM-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3n2)cc1 ZINC000000649115 193871390 /nfs/dbraw/zinc/87/13/90/193871390.db2.gz NHRFALKQNLSMGP-UHFFFAOYSA-N 0 0 442.853 5.557 50 0 IKAARN Cc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)n2-c2ccccc2)c1 ZINC000000649273 193871405 /nfs/dbraw/zinc/87/14/05/193871405.db2.gz AIBKQRLITOHKON-UHFFFAOYSA-N 0 0 437.565 5.123 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c(C)c1 ZINC000000650629 193872128 /nfs/dbraw/zinc/87/21/28/193872128.db2.gz KHGKDMUKWFWGDJ-UHFFFAOYSA-N 0 0 442.588 5.649 50 0 IKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000660295 193875947 /nfs/dbraw/zinc/87/59/47/193875947.db2.gz FQIAHNSNHPDEGZ-UHFFFAOYSA-N 0 0 435.452 5.758 50 0 IKAARN CC(C)Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000000659387 193875951 /nfs/dbraw/zinc/87/59/51/193875951.db2.gz AWMBNYZUBOMLSP-UHFFFAOYSA-N 0 0 438.527 5.759 50 0 IKAARN Cc1cccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c1C ZINC000000660543 193875891 /nfs/dbraw/zinc/87/58/91/193875891.db2.gz BWBVHYHUBNRPPR-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccncc2)cc1 ZINC000000663992 193877523 /nfs/dbraw/zinc/87/75/23/193877523.db2.gz HEDNWAFAQHLUPO-UHFFFAOYSA-N 0 0 443.576 5.239 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c1 ZINC000000664173 193877549 /nfs/dbraw/zinc/87/75/49/193877549.db2.gz TVILAMUEIGBADW-UHFFFAOYSA-N 0 0 443.576 5.294 50 0 IKAARN COc1cc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=CC(C)(C)N2 ZINC000006077371 193877746 /nfs/dbraw/zinc/87/77/46/193877746.db2.gz VWADMDFHPOHTLA-UHFFFAOYSA-N 0 0 445.606 7.685 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C(F)(F)F)sc3n2)c1 ZINC000000661281 193876162 /nfs/dbraw/zinc/87/61/62/193876162.db2.gz CQZHVGXGTODKOG-UHFFFAOYSA-N 0 0 443.450 5.825 50 0 IKAARN CCOc1cccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)c1 ZINC000000661393 193876437 /nfs/dbraw/zinc/87/64/37/193876437.db2.gz ASJYLHCZONMIBU-UHFFFAOYSA-N 0 0 449.532 5.214 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000006134460 193880506 /nfs/dbraw/zinc/88/05/06/193880506.db2.gz DTSHWRJKTPTLRP-LJQANCHMSA-N 0 0 429.495 5.143 50 0 IKAARN Brc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000006143836 193883079 /nfs/dbraw/zinc/88/30/79/193883079.db2.gz ISYSXAZFPFGGGE-UHFFFAOYSA-N 0 0 448.183 6.179 50 0 IKAARN Clc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1Cl ZINC000006143839 193883124 /nfs/dbraw/zinc/88/31/24/193883124.db2.gz LOTUGEUBDNKKED-UHFFFAOYSA-N 0 0 438.177 6.723 50 0 IKAARN CC(C)(C)c1ccc(C(=O)O[C@@H](c2ccc3c(c2)OCO3)c2nccc3ccccc32)cc1 ZINC000006144150 193883308 /nfs/dbraw/zinc/88/33/08/193883308.db2.gz MAIXTLCTHSSOGL-SANMLTNESA-N 0 0 439.511 6.207 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 ZINC000006193998 193890250 /nfs/dbraw/zinc/89/02/50/193890250.db2.gz MJOWPQLCYVLIJZ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)n1-c1ccccc1 ZINC000006245214 193894150 /nfs/dbraw/zinc/89/41/50/193894150.db2.gz KILYMJWXNXDSPO-GOSISDBHSA-N 0 0 444.560 5.371 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 ZINC000006177658 193888305 /nfs/dbraw/zinc/88/83/05/193888305.db2.gz FBFOHGNEWNILAP-UHFFFAOYSA-N 0 0 441.000 6.008 50 0 IKAARN O=C1c2ccccc2[C@H](Nc2ccc(Br)cc2F)N1Cc1ccccc1Cl ZINC000009835284 193901543 /nfs/dbraw/zinc/90/15/43/193901543.db2.gz LVKMYYVXNKMARF-HXUWFJFHSA-N 0 0 445.719 6.008 50 0 IKAARN CC(C)Cn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1F ZINC000009835692 193901834 /nfs/dbraw/zinc/90/18/34/193901834.db2.gz UFAGSLKNPDTUFP-ZDUSSCGKSA-N 0 0 429.546 5.705 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009835648 193901894 /nfs/dbraw/zinc/90/18/94/193901894.db2.gz SZTQRAONKFUSAP-UHFFFAOYSA-N 0 0 429.524 5.051 50 0 IKAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)on1 ZINC000009835783 193901963 /nfs/dbraw/zinc/90/19/63/193901963.db2.gz NHURFVMRQIFKSV-UHFFFAOYSA-N 0 0 439.566 5.012 50 0 IKAARN CC(C)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009840903 193903307 /nfs/dbraw/zinc/90/33/07/193903307.db2.gz XIFXDHNWTXHFMA-UHFFFAOYSA-N 0 0 425.934 5.715 50 0 IKAARN Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)s1 ZINC000009841693 193903697 /nfs/dbraw/zinc/90/36/97/193903697.db2.gz ZHEFJWMMTKXYFF-LLVKDONJSA-N 0 0 428.337 5.205 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccccc1Br ZINC000009846258 193904644 /nfs/dbraw/zinc/90/46/44/193904644.db2.gz CSFAWEWXPLVRRK-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1Cl ZINC000009846228 193904713 /nfs/dbraw/zinc/90/47/13/193904713.db2.gz FYNAOVKMEGYXQE-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN C[C@@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000009831780 193899317 /nfs/dbraw/zinc/89/93/17/193899317.db2.gz APMAQJBLTMWPQU-IBGZPJMESA-N 0 0 430.523 5.638 50 0 IKAARN CC1CCN(C(=S)SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000009850437 193907648 /nfs/dbraw/zinc/90/76/48/193907648.db2.gz JNYRBHIFDXSORD-UHFFFAOYSA-N 0 0 447.025 5.260 50 0 IKAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3c2=O)cc1 ZINC000009855631 193908410 /nfs/dbraw/zinc/90/84/10/193908410.db2.gz JTALHZWSKHFHSU-UHFFFAOYSA-N 0 0 444.918 5.141 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(Cl)cc1 ZINC000009855874 193908659 /nfs/dbraw/zinc/90/86/59/193908659.db2.gz GELZWDPOMLBIFM-UHFFFAOYSA-N 0 0 444.918 5.087 50 0 IKAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000009855786 193908787 /nfs/dbraw/zinc/90/87/87/193908787.db2.gz RBJGJKXPXPUHDL-UHFFFAOYSA-N 0 0 444.918 5.141 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)cc1OCC ZINC000009858141 193909534 /nfs/dbraw/zinc/90/95/34/193909534.db2.gz QUKMDPUYXDVKCT-UHFFFAOYSA-N 0 0 438.955 5.147 50 0 IKAARN CC[C@@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl ZINC000050073089 193921419 /nfs/dbraw/zinc/92/14/19/193921419.db2.gz RRINXGACOWHPCW-KXBFYZLASA-N 0 0 445.412 5.405 50 0 IKAARN O=C1Nc2c(cccc2Cl)[C@@]12Nc1ccccc1C(=O)N2c1ccc(F)c(Cl)c1 ZINC000049947070 193921522 /nfs/dbraw/zinc/92/15/22/193921522.db2.gz VMHHICLRUGAECL-NRFANRHFSA-N 0 0 428.250 5.010 50 0 IKAARN O=C(OCc1c(Cl)cccc1Br)c1c(Cl)cccc1Br ZINC000096234520 193939680 /nfs/dbraw/zinc/93/96/80/193939680.db2.gz QARBRARCPMZYKW-UHFFFAOYSA-N 0 0 438.930 5.875 50 0 IKAARN CCOc1ccc([C@H](CC(=O)NCCc2ccccn2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275756 193951819 /nfs/dbraw/zinc/95/18/19/193951819.db2.gz WTEHLOLCWJZNIP-VWLOTQADSA-N 0 0 441.575 5.405 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000096275938 193951860 /nfs/dbraw/zinc/95/18/60/193951860.db2.gz KKZCPQSHJGDVFD-MGPUTAFESA-N 0 0 442.357 5.335 50 0 IKAARN Cc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1 ZINC000096276229 193952257 /nfs/dbraw/zinc/95/22/57/193952257.db2.gz BXODJROGWQMFGZ-UHFFFAOYSA-N 0 0 429.495 5.112 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000096276666 193952428 /nfs/dbraw/zinc/95/24/28/193952428.db2.gz AKVZAKXVCTXEIS-QGZVFWFLSA-N 0 0 436.861 5.221 50 0 IKAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCc2ccco2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096276730 193952831 /nfs/dbraw/zinc/95/28/31/193952831.db2.gz ZQJCAXDBMWRJMV-OAQYLSRUSA-N 0 0 434.967 6.550 50 0 IKAARN CC(C)CNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096276756 193952895 /nfs/dbraw/zinc/95/28/95/193952895.db2.gz CSDWWSAGKGYNJA-DEOSSOPVSA-N 0 0 446.541 6.262 50 0 IKAARN CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl ZINC000002511843 388352607 /nfs/dbraw/zinc/35/26/07/388352607.db2.gz KNADXBVKFAUMCR-UHFFFAOYSA-N 0 0 434.198 6.769 50 0 in-vivo IKAARN C(=C\c1nc2sc3c(c2c(N2CCC(n4cncn4)CC2)n1)CCCC3)\c1ccccc1 ZINC000096314905 132225722 /nfs/dbraw/zinc/22/57/22/132225722.db2.gz PSJYNRPFONQXBQ-KHPPLWFESA-N 0 0 442.592 5.174 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNNc3c(C)cc(C)cc3C)C2=O)c(C)c1 ZINC000038183818 132226387 /nfs/dbraw/zinc/22/63/87/132226387.db2.gz XTAKTGJGUUPKIC-HZHRSRAPSA-N 0 0 425.532 5.373 50 0 IKAARN CCOc1cccc2c1N(C(=O)c1ccc(OC)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000666136 132228982 /nfs/dbraw/zinc/22/89/82/132228982.db2.gz MTMQWUWHOKJZKH-UHFFFAOYSA-N 0 0 443.615 6.509 50 0 IKAARN COc1cccc(C(=O)N2c3c(OC)cccc3-c3c(=S)ssc3C2(C)C)c1 ZINC000000666637 132229030 /nfs/dbraw/zinc/22/90/30/132229030.db2.gz LTCBDBVKUJNELI-UHFFFAOYSA-N 0 0 429.588 6.119 50 0 IKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)o1 ZINC000000677956 132229193 /nfs/dbraw/zinc/22/91/93/132229193.db2.gz CSSIBDKYTWIGKW-UHFFFAOYSA-N 0 0 431.319 5.651 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)s1 ZINC000000688927 132229447 /nfs/dbraw/zinc/22/94/47/132229447.db2.gz FRUCFIJGXINJJP-UHFFFAOYSA-N 0 0 431.536 5.373 50 0 IKAARN Cc1cccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccccc3n2)c1 ZINC000000688889 132229451 /nfs/dbraw/zinc/22/94/51/132229451.db2.gz JBOYBXCTDVLNFH-UHFFFAOYSA-N 0 0 441.962 5.826 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000000725717 132229832 /nfs/dbraw/zinc/22/98/32/132229832.db2.gz CVIRNRVIYGCZGX-UQBPGWFLSA-N 0 0 430.523 6.139 50 0 IKAARN COC(=O)c1cc(NC(=O)N2c3ccccc3Sc3ccccc32)cc(C(=O)OC)c1 ZINC000000792830 132230338 /nfs/dbraw/zinc/23/03/38/132230338.db2.gz KANDLTWEIDLRCQ-UHFFFAOYSA-N 0 0 434.473 5.095 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)N1c2ccccc2Sc2ccccc21 ZINC000000792810 132230426 /nfs/dbraw/zinc/23/04/26/132230426.db2.gz KMMQVHNUHUGBHC-UHFFFAOYSA-N 0 0 446.582 5.866 50 0 IKAARN Cn1ccnc1SCC(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C ZINC000000847502 132231509 /nfs/dbraw/zinc/23/15/09/132231509.db2.gz QSBMIVRKDIKZFV-XMMPIXPASA-N 0 0 440.012 5.687 50 0 IKAARN C[C@@H]1C[C@@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000844601 132231553 /nfs/dbraw/zinc/23/15/53/132231553.db2.gz MYKQEFFQJACTID-XMSQKQJNSA-N 0 0 426.472 5.700 50 0 IKAARN O=C(CSC1=NCCS1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000852675 132231723 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YGDMLFCERJQZKZ-UHFFFAOYSA-N 0 0 440.886 5.475 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)o1 ZINC000009549962 132233550 /nfs/dbraw/zinc/23/35/50/132233550.db2.gz JURBBBSQSJKITP-NRFANRHFSA-N 0 0 443.528 5.304 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C ZINC000000898908 132233590 /nfs/dbraw/zinc/23/35/90/132233590.db2.gz BOWKEENIZXXJPN-UQBPGWFLSA-N 0 0 430.523 6.139 50 0 IKAARN CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C ZINC000000898904 132233597 /nfs/dbraw/zinc/23/35/97/132233597.db2.gz BOWKEENIZXXJPN-DFBJGRDBSA-N 0 0 430.523 6.139 50 0 IKAARN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccncc1 ZINC000000907596 132233774 /nfs/dbraw/zinc/23/37/74/132233774.db2.gz YEVMHJNOLJUNRD-UHFFFAOYSA-N 0 0 445.573 5.282 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCC[C@H](c3nnc4ccccn43)C2)n1 ZINC000009670643 132234657 /nfs/dbraw/zinc/23/46/57/132234657.db2.gz RPWGUBVLZOCXNB-SFHVURJKSA-N 0 0 426.549 5.093 50 0 IKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000009569371 132234813 /nfs/dbraw/zinc/23/48/13/132234813.db2.gz LDHYXRUUUDDPOM-UHFFFAOYSA-N 0 0 426.472 5.043 50 0 IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000000943974 132235886 /nfs/dbraw/zinc/23/58/86/132235886.db2.gz JZJPIIKNSHFYLR-LJQANCHMSA-N 0 0 449.498 5.137 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000969104 132236271 /nfs/dbraw/zinc/23/62/71/132236271.db2.gz LCJFHBTYMRKCLC-UHFFFAOYSA-N 0 0 447.541 5.028 50 0 IKAARN C[C@@H]1C[C@@H](N(C(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F ZINC000001231048 132240454 /nfs/dbraw/zinc/24/04/54/132240454.db2.gz KCPQVHRXMBHNNK-MLGOLLRUSA-N 0 0 430.348 5.011 50 0 IKAARN Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 ZINC000010262491 132244322 /nfs/dbraw/zinc/24/43/22/132244322.db2.gz RRSAEPWTKQGEOK-UHFFFAOYSA-N 0 0 444.362 5.238 50 0 IKAARN Cc1ccc(C(=O)N2c3ccccc3N(Cc3c(Cl)cccc3Cl)C(=O)[C@@H]2C)cc1 ZINC000001381913 132244470 /nfs/dbraw/zinc/24/44/70/132244470.db2.gz PFKPDMMBANWANT-INIZCTEOSA-N 0 0 439.342 5.884 50 0 IKAARN C[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385970 132244605 /nfs/dbraw/zinc/24/46/05/132244605.db2.gz URZIHVLAMZXZNH-HNNXBMFYSA-N 0 0 442.412 5.427 50 0 IKAARN Brc1cc(Br)c2nc(-c3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000001384438 132244636 /nfs/dbraw/zinc/24/46/36/132244636.db2.gz NRIHKGYGPOOPDH-UHFFFAOYSA-N 0 0 448.158 5.263 50 0 IKAARN C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385968 132244655 /nfs/dbraw/zinc/24/46/55/132244655.db2.gz PRRFPOHEZSLQPE-AWEZNQCLSA-N 0 0 443.305 5.715 50 0 IKAARN C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385963 132244657 /nfs/dbraw/zinc/24/46/57/132244657.db2.gz MJQRQPHYLWXWOI-CQSZACIVSA-N 0 0 426.850 5.200 50 0 IKAARN O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1 ZINC000001401439 132244963 /nfs/dbraw/zinc/24/49/63/132244963.db2.gz VWMUSTFENIUJII-UHFFFAOYSA-N 0 0 445.872 5.311 50 0 IKAARN CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000001759851 132246655 /nfs/dbraw/zinc/24/66/55/132246655.db2.gz FESBAMQBMONVEG-HFZDXXHNSA-N 0 0 426.560 6.390 50 0 IKAARN Cc1nc2sc3c(c2c(N2CCN(c4ccc(Cl)c(Cl)c4)CC2)n1)CCCC3 ZINC000001801678 132246754 /nfs/dbraw/zinc/24/67/54/132246754.db2.gz OZJSIDKXQGZSLS-UHFFFAOYSA-N 0 0 433.408 5.512 50 0 IKAARN Cc1ccc2c(c1)N(C(=O)COc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000001830896 132247230 /nfs/dbraw/zinc/24/72/30/132247230.db2.gz XQGIARMPSSGWKQ-UHFFFAOYSA-N 0 0 431.579 6.314 50 0 IKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)C[C@H]1C ZINC000001833135 132247254 /nfs/dbraw/zinc/24/72/54/132247254.db2.gz HDQZETFNIWCCJR-HRFSGMKKSA-N 0 0 440.587 6.517 50 0 IKAARN C[C@H]1CCCCN1C(=S)SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001896473 132247371 /nfs/dbraw/zinc/24/73/71/132247371.db2.gz PVBYXECFYGFQOI-AWEZNQCLSA-N 0 0 449.066 6.362 50 0 IKAARN Clc1ccc(N2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)cc1Cl ZINC000001896180 132247397 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CCOC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OCC)C1c1ccccc1 ZINC000002066967 132247986 /nfs/dbraw/zinc/24/79/86/132247986.db2.gz YPAJHKBNDGDEAU-UHFFFAOYSA-N 0 0 448.563 5.031 50 0 IKAARN O=C1c2c3c(sc2N[C@H](c2cc4ccccc4nc2Cl)N1c1ccccc1)CCCC3 ZINC000002170998 132248305 /nfs/dbraw/zinc/24/83/05/132248305.db2.gz XXDJCBYMKKFJDL-QHCPKHFHSA-N 0 0 445.975 6.600 50 0 IKAARN Fc1ccccc1-n1nc2c(c1-c1ccccc1)c(-c1ccccc1)nnc2N1CCCCC1 ZINC000002181162 132248332 /nfs/dbraw/zinc/24/83/32/132248332.db2.gz BLIVMCIJZCXQTF-UHFFFAOYSA-N 0 0 449.533 6.279 50 0 IKAARN COc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000002202703 132248799 /nfs/dbraw/zinc/24/87/99/132248799.db2.gz LFCGNUNKVAVJSX-YAYTYNBKSA-N 0 0 445.990 6.883 50 0 IKAARN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000002202699 132248904 /nfs/dbraw/zinc/24/89/04/132248904.db2.gz LFCGNUNKVAVJSX-OETTXPGDSA-N 0 0 445.990 6.883 50 0 IKAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1 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132273411 /nfs/dbraw/zinc/27/34/11/132273411.db2.gz ORCYVCFLXGOVRD-LADGPHEKSA-N 0 0 436.458 5.096 50 0 IKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(Cl)cc1)C(=S)N2c1ccccc1 ZINC000004767670 132273787 /nfs/dbraw/zinc/27/37/87/132273787.db2.gz CHUBMIAQKDONCC-RDPSFJRHSA-N 0 0 434.948 5.827 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(c3ccccc3)CC2)c1-c1ccccc1 ZINC000005516111 132275330 /nfs/dbraw/zinc/27/53/30/132275330.db2.gz DJUQKWWGLQWWNW-UHFFFAOYSA-N 0 0 425.580 5.329 50 0 IKAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)CCC4CCCC4)CC3)n2)c1 ZINC000006706341 132278415 /nfs/dbraw/zinc/27/84/15/132278415.db2.gz MBJFGRIVWJFPQL-UHFFFAOYSA-N 0 0 434.628 5.503 50 0 IKAARN O=C(NC1CCCCCC1)[C@@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000006806431 132279357 /nfs/dbraw/zinc/27/93/57/132279357.db2.gz QNNMKSXUOIBKIQ-OAHLLOKOSA-N 0 0 426.561 5.039 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000008588486 132282970 /nfs/dbraw/zinc/28/29/70/132282970.db2.gz KBVWSFAJAQPLHF-UHFFFAOYSA-N 0 0 448.954 5.313 50 0 aggregator IKAARN Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4F)C3)nn2)cc1 ZINC000008592510 132284214 /nfs/dbraw/zinc/28/42/14/132284214.db2.gz CJMHAYDMWJCLFP-MRXNPFEDSA-N 0 0 440.519 5.070 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)nn2)cc1 ZINC000008592508 132284247 /nfs/dbraw/zinc/28/42/47/132284247.db2.gz CJMHAYDMWJCLFP-INIZCTEOSA-N 0 0 440.519 5.070 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)c(Cl)c1 ZINC000008594360 132284429 /nfs/dbraw/zinc/28/44/29/132284429.db2.gz OHAADEQTFPGMSG-UHFFFAOYSA-N 0 0 438.940 5.440 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000008594298 132284459 /nfs/dbraw/zinc/28/44/59/132284459.db2.gz MURLJGKYDZAUIP-UHFFFAOYSA-N 0 0 438.940 5.440 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000008594267 132284522 /nfs/dbraw/zinc/28/45/22/132284522.db2.gz VZPXATWCAAFUSX-UHFFFAOYSA-N 0 0 438.940 5.440 50 0 IKAARN Cc1cccc(N2C(=O)CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000008597517 132285501 /nfs/dbraw/zinc/28/55/01/132285501.db2.gz ILEJNCAEUOWQCA-VWLOTQADSA-N 0 0 432.520 5.004 50 0 IKAARN Cc1cccc(N2C(=O)CCS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000008597516 132285559 /nfs/dbraw/zinc/28/55/59/132285559.db2.gz ILEJNCAEUOWQCA-RUZDIDTESA-N 0 0 432.520 5.004 50 0 IKAARN O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008599289 132285877 /nfs/dbraw/zinc/28/58/77/132285877.db2.gz DMPQKJDESKQWGO-UHFFFAOYSA-N 0 0 440.374 5.383 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)CC2)c(C)c1 ZINC000008599309 132285897 /nfs/dbraw/zinc/28/58/97/132285897.db2.gz JTRXNDFCSYVYLR-UHFFFAOYSA-N 0 0 433.983 5.346 50 0 IKAARN CC[C@@H]1CN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c2cc(Cl)ccc2O1 ZINC000008600294 132286362 /nfs/dbraw/zinc/28/63/62/132286362.db2.gz GINGFBJRHKVCOH-GOSISDBHSA-N 0 0 446.956 5.287 50 0 aggregator IKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1 ZINC000008604359 132286687 /nfs/dbraw/zinc/28/66/87/132286687.db2.gz KIZOIFQZLFOGLZ-UHFFFAOYSA-N 0 0 446.616 5.479 50 0 aggregator IKAARN Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc32)cc1 ZINC000008604366 132286701 /nfs/dbraw/zinc/28/67/01/132286701.db2.gz ZVMLFQPTXLGTRZ-UHFFFAOYSA-N 0 0 443.616 5.070 50 0 IKAARN CCn1c2cc(NC(=O)Nc3ccccc3Cl)c(N3CCCCC3)cc2n(CC)c1=O ZINC000008605475 132287235 /nfs/dbraw/zinc/28/72/35/132287235.db2.gz QNBKLYPVUXMIKP-UHFFFAOYSA-N 0 0 441.963 5.131 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc(NC(=O)N3C[C@@H](C)Sc4ccccc43)cc2)cc1 ZINC000008610343 132288187 /nfs/dbraw/zinc/28/81/87/132288187.db2.gz RCFIEMJOUUPPCN-GOSISDBHSA-N 0 0 445.588 5.712 50 0 aggregator IKAARN C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c2ccccc2S1 ZINC000008610320 132288236 /nfs/dbraw/zinc/28/82/36/132288236.db2.gz GBVUXVVPBLQVAB-INIZCTEOSA-N 0 0 435.524 5.288 50 0 IKAARN Cc1ccccc1CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1 ZINC000008610370 132288246 /nfs/dbraw/zinc/28/82/46/132288246.db2.gz FALHVGNYCYQNCC-LJQANCHMSA-N 0 0 445.588 5.500 50 0 aggregator IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N2CCCC[C@H]2C)n1)CCC4 ZINC000008657509 132289328 /nfs/dbraw/zinc/28/93/28/132289328.db2.gz CTJQSCSQRCYHSY-CQSZACIVSA-N 0 0 426.655 6.027 50 0 IKAARN Cc1ccc(SCC(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)cc1 ZINC000008666204 132289494 /nfs/dbraw/zinc/28/94/94/132289494.db2.gz YJZHQIMBLUPUCS-UHFFFAOYSA-N 0 0 435.568 5.192 50 0 IKAARN COc1ccc(N2C(=O)N[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C2C)cc1 ZINC000008748972 132292845 /nfs/dbraw/zinc/29/28/45/132292845.db2.gz FSGFYGZDHWBAML-QHCPKHFHSA-N 0 0 431.467 5.018 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1F ZINC000008757100 132293096 /nfs/dbraw/zinc/29/30/96/132293096.db2.gz MAFYTVOXJATOHB-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CC[C@@H](c3ccccc3)C[C@H]12 ZINC000008773759 132294096 /nfs/dbraw/zinc/29/40/96/132294096.db2.gz XIEPITOOPZYXGG-UTKZUKDTSA-N 0 0 438.365 5.066 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)N2CCCc3ccccc32)cc1 ZINC000008831406 132295421 /nfs/dbraw/zinc/29/54/21/132295421.db2.gz NMCIIFXEWMPVQW-UHFFFAOYSA-N 0 0 439.584 5.601 50 0 IKAARN CC[C@@H](C(=O)N1c2cc(C)c(C)cc2-c2c(=S)ssc2C1(C)C)c1ccccc1 ZINC000008868568 132296912 /nfs/dbraw/zinc/29/69/12/132296912.db2.gz JLKMLHLINKIWIK-QGZVFWFLSA-N 0 0 439.671 7.598 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)C2=O)cc1 ZINC000008878053 132296950 /nfs/dbraw/zinc/29/69/50/132296950.db2.gz NHHABUQKFPPKQU-MHECFPHRSA-N 0 0 448.563 5.094 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1 ZINC000008911607 132297350 /nfs/dbraw/zinc/29/73/50/132297350.db2.gz UFAQATYMXUUDBZ-UHFFFAOYSA-N 0 0 432.589 5.436 50 0 IKAARN C[C@H](CNC(=O)[C@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1)c1ccccc1 ZINC000008912856 132297780 /nfs/dbraw/zinc/29/77/80/132297780.db2.gz HUBWKOCNCVKSJX-AEFFLSMTSA-N 0 0 448.567 5.120 50 0 IKAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000008912865 132297799 /nfs/dbraw/zinc/29/77/99/132297799.db2.gz KQUZWZYRQRUNND-KRWDZBQOSA-N 0 0 438.572 5.207 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000008913731 132298004 /nfs/dbraw/zinc/29/80/04/132298004.db2.gz CVJDSBNSSXSMBH-UHFFFAOYSA-N 0 0 436.552 5.267 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 ZINC000008926052 132298198 /nfs/dbraw/zinc/29/81/98/132298198.db2.gz XKRAANNKPJEXFV-FQRUVTKNSA-N 0 0 442.559 5.865 50 0 IKAARN CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000008991482 132299736 /nfs/dbraw/zinc/29/97/36/132299736.db2.gz VHPDCYGDNBOWQQ-XMMPIXPASA-N 0 0 431.561 5.016 50 0 IKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](Nc3ccc(C)cc3)C[C@@H]2C)cc1OC ZINC000008997065 132300170 /nfs/dbraw/zinc/30/01/70/132300170.db2.gz HWMNAYBHNOGHIA-WMZHIEFXSA-N 0 0 430.548 5.913 50 0 IKAARN CCO[P@]1(=O)c2c(F)c(F)c(F)c(F)c2N(c2ccccc2)N=C1c1ccccc1 ZINC000009019657 132301132 /nfs/dbraw/zinc/30/11/32/132301132.db2.gz ATCHNAYYAFNJNF-SSEXGKCCSA-N 0 0 434.329 5.696 50 0 IKAARN CCN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2Cl)CC1 ZINC000009123792 132305176 /nfs/dbraw/zinc/30/51/76/132305176.db2.gz XSQUZSSQZMNPMH-UHFFFAOYSA-N 0 0 449.982 5.313 50 0 IKAARN COc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000009129871 132305817 /nfs/dbraw/zinc/30/58/17/132305817.db2.gz KNRQSSDOFABHKV-AREMUKBSSA-N 0 0 428.532 5.050 50 0 IKAARN Cc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)C1=O ZINC000009130182 132306018 /nfs/dbraw/zinc/30/60/18/132306018.db2.gz UXJVKMZKEWLYKF-VWLOTQADSA-N 0 0 432.951 5.893 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccccc1Br ZINC000009136342 132306348 /nfs/dbraw/zinc/30/63/48/132306348.db2.gz QZSULTMYSKVRJX-UHFFFAOYSA-N 0 0 435.321 5.181 50 0 IKAARN Cc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(Br)cc3)CO2)cc1 ZINC000009153852 132307124 /nfs/dbraw/zinc/30/71/24/132307124.db2.gz JWXRYNHDXZZADG-UHFFFAOYSA-N 0 0 448.316 5.887 50 0 IKAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc12 ZINC000009160987 132307404 /nfs/dbraw/zinc/30/74/04/132307404.db2.gz DGSSVOUKLPIUBP-UHFFFAOYSA-N 0 0 444.604 5.283 50 0 IKAARN Cc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1)C(C)(C)C[C@@]2(C)c1ccccc1 ZINC000009189988 132307881 /nfs/dbraw/zinc/30/78/81/132307881.db2.gz QCZLPNZAFVVJGM-SANMLTNESA-N 0 0 448.404 6.893 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)N(c1ccc(Cl)cc1)C(=O)C2 ZINC000009198807 132308411 /nfs/dbraw/zinc/30/84/11/132308411.db2.gz AOZJTSONOGSPFY-HHHXNRCGSA-N 0 0 449.978 6.379 50 0 IKAARN CSc1nc2sc3c(c2c(N2CCC(Cc4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000009209463 132308768 /nfs/dbraw/zinc/30/87/68/132308768.db2.gz QZNGOPRUPAJFQE-UHFFFAOYSA-N 0 0 439.650 5.724 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000009228405 132310027 /nfs/dbraw/zinc/31/00/27/132310027.db2.gz KYBMYDFPCICVOD-UHFFFAOYSA-N 0 0 449.526 5.053 50 0 IKAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C(C)C ZINC000009250399 132310776 /nfs/dbraw/zinc/31/07/76/132310776.db2.gz KXHSTQWDXGMZNM-UHFFFAOYSA-N 0 0 448.588 5.495 50 0 IKAARN CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000009289083 132312751 /nfs/dbraw/zinc/31/27/51/132312751.db2.gz KZGFSZFZAKMEJP-UHFFFAOYSA-N 0 0 449.982 5.313 50 0 IKAARN Cc1cccc(C)c1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O ZINC000009319415 132313627 /nfs/dbraw/zinc/31/36/27/132313627.db2.gz MOPBVDXAIJHGHA-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN O=C(Sc1nc(-c2ccccc2)cc(=O)[nH]1)N1c2ccccc2Sc2ccccc21 ZINC000009374743 132314503 /nfs/dbraw/zinc/31/45/03/132314503.db2.gz SMAAWIFNTFAWKK-UHFFFAOYSA-N 0 0 429.526 6.364 50 0 IKAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000009379194 132314680 /nfs/dbraw/zinc/31/46/80/132314680.db2.gz KXQQZMLAKNHWGZ-UHFFFAOYSA-N 0 0 439.515 5.406 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)N1C[C@@H](C)Oc3ccc(Cl)cc31)CCCC2 ZINC000009405999 132315417 /nfs/dbraw/zinc/31/54/17/132315417.db2.gz NMSXTRRTKJTHJT-GFCCVEGCSA-N 0 0 434.945 5.276 50 0 IKAARN O=C(CN1CCc2cc3c(cc2C1)OCCCO3)N1c2ccccc2Sc2ccccc21 ZINC000009430178 132316903 /nfs/dbraw/zinc/31/69/03/132316903.db2.gz ZNJLAOUOYICHSF-UHFFFAOYSA-N 0 0 444.556 5.036 50 0 IKAARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)N1c2ccccc2Sc2ccccc21 ZINC000009435918 132317686 /nfs/dbraw/zinc/31/76/86/132317686.db2.gz BQSWYERLIRFXPU-UHFFFAOYSA-N 0 0 434.908 5.903 50 0 IKAARN O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009468591 132318494 /nfs/dbraw/zinc/31/84/94/132318494.db2.gz IOIJKKYHCLXERT-OAQYLSRUSA-N 0 0 444.585 5.240 50 0 IKAARN O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000009468588 132318514 /nfs/dbraw/zinc/31/85/14/132318514.db2.gz IOIJKKYHCLXERT-NRFANRHFSA-N 0 0 444.585 5.240 50 0 IKAARN Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2nc(C)nc(N3CCCC[C@H]3C)c12 ZINC000009499652 132319555 /nfs/dbraw/zinc/31/95/55/132319555.db2.gz MHNZLSZVXFIOKV-CQSZACIVSA-N 0 0 431.565 5.487 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000009527736 132320403 /nfs/dbraw/zinc/32/04/03/132320403.db2.gz ORJILMVSVNJKFN-UHFFFAOYSA-N 0 0 438.959 5.786 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 ZINC000009528909 132320514 /nfs/dbraw/zinc/32/05/14/132320514.db2.gz IPGXBWOXUWXPKN-UHFFFAOYSA-N 0 0 431.923 5.419 50 0 IKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000009553802 132321358 /nfs/dbraw/zinc/32/13/58/132321358.db2.gz ZVRAXZGOHRPZPM-UHFFFAOYSA-N 0 0 440.930 6.339 50 0 IKAARN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000009561229 132321472 /nfs/dbraw/zinc/32/14/72/132321472.db2.gz YGQHFLVEVGXACY-UHFFFAOYSA-N 0 0 446.986 5.029 50 0 IKAARN COc1ccc2nc3sc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3cc2c1 ZINC000009561547 132321560 /nfs/dbraw/zinc/32/15/60/132321560.db2.gz XPIWYYFDWQROCB-UHFFFAOYSA-N 0 0 437.952 5.074 50 0 IKAARN COc1ccc2cc3cc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)sc3nc2c1 ZINC000009561520 132321573 /nfs/dbraw/zinc/32/15/73/132321573.db2.gz PLBKLZJHNKDEQX-UHFFFAOYSA-N 0 0 437.952 5.074 50 0 IKAARN COC(=O)C1=NN(c2ccccc2C)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000009590572 132322541 /nfs/dbraw/zinc/32/25/41/132322541.db2.gz HCSIBTKOVGUUNG-VWLOTQADSA-N 0 0 442.544 5.089 50 0 IKAARN O=C(N(c1ccccc1)c1ccccc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000009601232 132322923 /nfs/dbraw/zinc/32/29/23/132322923.db2.gz XIXSCSXWEVVPJI-UHFFFAOYSA-N 0 0 426.347 6.074 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)C[C@@H]2C)cc1 ZINC000009611672 132323438 /nfs/dbraw/zinc/32/34/38/132323438.db2.gz FRPDQYNIYRTGQF-SFHVURJKSA-N 0 0 433.983 5.426 50 0 IKAARN C[C@H]1CN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)c2ccccc2S1 ZINC000009645398 132324795 /nfs/dbraw/zinc/32/47/95/132324795.db2.gz YQJBBTZZRYWVOU-SFHVURJKSA-N 0 0 435.618 5.343 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2 ZINC000009673047 132325285 /nfs/dbraw/zinc/32/52/85/132325285.db2.gz XAKXFPMBRSXLFL-UHFFFAOYSA-N 0 0 440.927 5.048 50 0 IKAARN COc1cccc2c1OC1=C(C2)C(=S)N[C@H](c2ccc(Cl)cc2)N1c1cccc(C)c1 ZINC000009673598 132325288 /nfs/dbraw/zinc/32/52/88/132325288.db2.gz HTNLQUSNJOYMFJ-QHCPKHFHSA-N 0 0 448.975 5.940 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)CS3)[C@@H]1C ZINC000009673027 132325294 /nfs/dbraw/zinc/32/52/94/132325294.db2.gz XIRRWPNAIPLHBL-JXXFODFXSA-N 0 0 443.012 5.533 50 0 IKAARN O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2 ZINC000009673045 132325314 /nfs/dbraw/zinc/32/53/14/132325314.db2.gz ILTMUSKQFDAUTO-UHFFFAOYSA-N 0 0 440.927 5.048 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)CS3)[C@@H]1C ZINC000009673025 132325341 /nfs/dbraw/zinc/32/53/41/132325341.db2.gz XIRRWPNAIPLHBL-QINHECLXSA-N 0 0 443.012 5.533 50 0 IKAARN Cc1ccc(N2C3=C(Cc4cc(Cl)ccc4O3)C(=S)N[C@H]2c2cccnc2)cc1F ZINC000009673665 132325391 /nfs/dbraw/zinc/32/53/91/132325391.db2.gz IPUGVCZIABJODI-OAQYLSRUSA-N 0 0 437.927 5.465 50 0 IKAARN CSc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000009683339 132325699 /nfs/dbraw/zinc/32/56/99/132325699.db2.gz KIMBIESREMCHCF-UHFFFAOYSA-N 0 0 430.879 5.170 50 0 IKAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NC3CCCCCC3)C2=O)cc1 ZINC000009692887 132326107 /nfs/dbraw/zinc/32/61/07/132326107.db2.gz WZXGTLIXJVPWLV-YADARESESA-N 0 0 436.621 5.478 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)[C@H]2Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000009692825 132326112 /nfs/dbraw/zinc/32/61/12/132326112.db2.gz QMNDOCPIZMEOID-NBGIEHNGSA-N 0 0 444.600 5.263 50 0 IKAARN C[C@H](C(=O)NC1CCCCCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692843 132326133 /nfs/dbraw/zinc/32/61/33/132326133.db2.gz HRBMUNMHAGFTEW-SBUREZEXSA-N 0 0 440.584 5.308 50 0 IKAARN Cc1ccc(CNC(=O)[C@H](C)[C@H]2Sc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000009692890 132326161 /nfs/dbraw/zinc/32/61/61/132326161.db2.gz UXRJCYGMINBAGY-CJFMBICVSA-N 0 0 444.600 5.263 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NCc3ccccc3)C2=O)c1 ZINC000009692988 132326328 /nfs/dbraw/zinc/32/63/28/132326328.db2.gz LBAAUYZQHUNHSC-NLFFAJNJSA-N 0 0 444.600 5.263 50 0 IKAARN Cc1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)cc1Cl ZINC000009708842 132326837 /nfs/dbraw/zinc/32/68/37/132326837.db2.gz 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CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1 ZINC000009962478 132332866 /nfs/dbraw/zinc/33/28/66/132332866.db2.gz WUGBLKVCOGIGJT-UHFFFAOYSA-N 0 0 446.572 5.536 50 0 IKAARN CCCCSCCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CCS2 ZINC000009962999 132332953 /nfs/dbraw/zinc/33/29/53/132332953.db2.gz WWHALNRIAVVVCG-UHFFFAOYSA-N 0 0 449.085 6.106 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1 ZINC000009972106 132333473 /nfs/dbraw/zinc/33/34/73/132333473.db2.gz PAKKQWXBMQCCSO-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN Cc1cccc(N2CCN(c3cc(-c4ccccc4)nc4c(-c5ccccc5)cnn43)CC2)n1 ZINC000010383647 132335687 /nfs/dbraw/zinc/33/56/87/132335687.db2.gz JSPZNSGHWOQOAF-UHFFFAOYSA-N 0 0 446.558 5.093 50 0 IKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)Cc1ccccc1N1CCCCC1 ZINC000010899396 132336651 /nfs/dbraw/zinc/33/66/51/132336651.db2.gz MTHUUWHNBQZBBI-UHFFFAOYSA-N 0 0 431.584 5.152 50 0 IKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1N1CCOCC1 ZINC000011328499 132337737 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50 0 IKAARN COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(C)cc2)CCC(=O)N1c1ccc(C)cc1 ZINC000013057403 132343724 /nfs/dbraw/zinc/34/37/24/132343724.db2.gz FKFQBDKFTAQOCO-BVAGGSTKSA-N 0 0 428.532 5.435 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCc3ccccc32)c(OC)c1 ZINC000013075810 132344108 /nfs/dbraw/zinc/34/41/08/132344108.db2.gz APNDVGXEQDQEDI-UHFFFAOYSA-N 0 0 439.515 5.150 50 0 IKAARN CC[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(C)cc1 ZINC000013101261 132344525 /nfs/dbraw/zinc/34/45/25/132344525.db2.gz NJKJSGRGOFEUNU-IBGZPJMESA-N 0 0 439.909 5.546 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C)c3C)[C@@H]2c2ccccc2)cc1 ZINC000013119629 132345180 /nfs/dbraw/zinc/34/51/80/132345180.db2.gz XDMYQTSHJPGNAV-BVAGGSTKSA-N 0 0 428.532 5.435 50 0 IKAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1 ZINC000013119635 132345236 /nfs/dbraw/zinc/34/52/36/132345236.db2.gz BWELKUYWTJPBDZ-BVAGGSTKSA-N 0 0 428.532 5.435 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000013133670 132345677 /nfs/dbraw/zinc/34/56/77/132345677.db2.gz NDARXNQIFZPRFA-GOSISDBHSA-N 0 0 432.545 5.558 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320498 132346257 /nfs/dbraw/zinc/34/62/57/132346257.db2.gz ZFRLSVMHXXMNDF-UHFFFAOYSA-N 0 0 432.273 5.675 50 0 IKAARN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369332 132346761 /nfs/dbraw/zinc/34/67/61/132346761.db2.gz GBHCGHSUIZVEEP-LJQANCHMSA-N 0 0 444.966 5.267 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013469306 132347178 /nfs/dbraw/zinc/34/71/78/132347178.db2.gz SKXZBIRZSNISPU-UHFFFAOYSA-N 0 0 449.860 5.285 50 0 IKAARN O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c21)N1CCCc2ccccc21 ZINC000013525265 132349220 /nfs/dbraw/zinc/34/92/20/132349220.db2.gz WNGLPHGYVRNNFG-UHFFFAOYSA-N 0 0 435.936 5.370 50 0 IKAARN CCO[P@@]1(=O)c2c(F)c(F)c(F)c(F)c2N(c2ccccc2)N=C1c1ccccc1 ZINC000013564222 132350118 /nfs/dbraw/zinc/35/01/18/132350118.db2.gz ATCHNAYYAFNJNF-PMERELPUSA-N 0 0 434.329 5.696 50 0 IKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1Cl ZINC000013583525 132351013 /nfs/dbraw/zinc/35/10/13/132351013.db2.gz IDEGDURXXCQWLU-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583521 132351043 /nfs/dbraw/zinc/35/10/43/132351043.db2.gz WMFWYFFXGOXNRC-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583522 132351057 /nfs/dbraw/zinc/35/10/57/132351057.db2.gz WGDSJRVNXSZNBS-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583828 132351079 /nfs/dbraw/zinc/35/10/79/132351079.db2.gz KBCSGBDRXFDEMG-UHFFFAOYSA-N 0 0 440.952 5.042 50 0 IKAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c(OC)c1 ZINC000013607704 132351423 /nfs/dbraw/zinc/35/14/23/132351423.db2.gz RYISGVQIZSULKK-UHFFFAOYSA-N 0 0 447.539 5.041 50 0 IKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000013756221 132354402 /nfs/dbraw/zinc/35/44/02/132354402.db2.gz UQDOYSNPZHDXKC-UHFFFAOYSA-N 0 0 425.985 5.632 50 0 IKAARN Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)N5CCCCCC5)CC4)c23)cc1 ZINC000014124065 132356174 /nfs/dbraw/zinc/35/61/74/132356174.db2.gz TYUKKUMKIQROBG-UHFFFAOYSA-N 0 0 434.609 5.286 50 0 IKAARN FC(F)(F)c1cnc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)c(Cl)c1 ZINC000014184997 132356463 /nfs/dbraw/zinc/35/64/63/132356463.db2.gz PZHRKHFVKAZHAH-UHFFFAOYSA-N 0 0 446.325 5.944 50 0 IKAARN CCCCN(CCCC)C(=O)Nc1cccc(NC(=O)N(CCCC)CCCC)c1C ZINC000201378209 517561291 /nfs/dbraw/zinc/56/12/91/517561291.db2.gz QWVZCDYPULFREY-UHFFFAOYSA-N 0 0 432.653 6.863 50 0 IKAARN O=C(O[C@H]1CCCC1=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc2c(c1)OCO2 ZINC000096485114 518201719 /nfs/dbraw/zinc/20/17/19/518201719.db2.gz SUBPADDKHPFXDO-GBKYUFMXSA-N 0 0 441.483 5.119 50 0 IKAARN Brc1c(CSc2nc3cc(Br)ccc3o2)nc2ccccn21 ZINC000012600246 518206976 /nfs/dbraw/zinc/20/69/76/518206976.db2.gz JUHOLNMJORKULM-UHFFFAOYSA-N 0 0 439.132 5.293 50 0 IKAARN Brc1ccc(-c2nnc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000012550342 518209307 /nfs/dbraw/zinc/20/93/07/518209307.db2.gz JFBOHYMOGNATGO-UHFFFAOYSA-N 0 0 427.305 6.116 50 0 IKAARN Brc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000012311628 518224482 /nfs/dbraw/zinc/22/44/82/518224482.db2.gz VMXUSCVBFPWUDZ-UHFFFAOYSA-N 0 0 449.398 7.257 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C ZINC000012679597 518231815 /nfs/dbraw/zinc/23/18/15/518231815.db2.gz ZQORVYBWYYFGTB-HNNXBMFYSA-N 0 0 447.564 5.272 50 0 IKAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3SCc3cccs3)CC2)cc1 ZINC000012544187 518349380 /nfs/dbraw/zinc/34/93/80/518349380.db2.gz IPUVKLGGVYIZII-UHFFFAOYSA-N 0 0 436.602 5.205 50 0 IKAARN CC(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000012479347 518368224 /nfs/dbraw/zinc/36/82/24/518368224.db2.gz ACTNYBUNURCCED-DEOSSOPVSA-N 0 0 426.516 5.683 50 0 IKAARN CC(=O)c1ccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)cc1 ZINC000012632285 518383890 /nfs/dbraw/zinc/38/38/90/518383890.db2.gz YEGVRVMZYPBKMW-OAQYLSRUSA-N 0 0 427.460 5.018 50 0 IKAARN CC(=O)c1ccc(OC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 ZINC000014463899 518389524 /nfs/dbraw/zinc/38/95/24/518389524.db2.gz AMDZXCBRMGUAOU-XUZZJYLKSA-N 0 0 433.529 5.349 50 0 IKAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000012536313 518409123 /nfs/dbraw/zinc/40/91/23/518409123.db2.gz CUOWDFAZWRIVML-UHFFFAOYSA-N 0 0 436.533 5.066 50 0 IKAARN CC(=O)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000021656867 518432590 /nfs/dbraw/zinc/43/25/90/518432590.db2.gz VPCNMYNRGIYBGT-UHFFFAOYSA-N 0 0 435.936 5.773 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2-c2cccc(C)c2)c1 ZINC000012551456 518440372 /nfs/dbraw/zinc/44/03/72/518440372.db2.gz NSGOUYIZOOSPPQ-SFHVURJKSA-N 0 0 429.545 5.656 50 0 IKAARN CC(=O)c1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3C)C2=O)c1 ZINC000035180898 518473066 /nfs/dbraw/zinc/47/30/66/518473066.db2.gz NOSXHWUIVKJLBV-UHFFFAOYSA-N 0 0 441.531 5.282 50 0 IKAARN CC(=O)c1sc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)nc1-c1ccccc1 ZINC000012766897 518498569 /nfs/dbraw/zinc/49/85/69/518498569.db2.gz BJJMINONPYJIAX-UHFFFAOYSA-N 0 0 439.924 5.045 50 0 IKAARN CC(=O)n1nc(-c2ccccc2)c(Cc2nc3ccccc3n2C(C)=O)c1-c1ccccc1 ZINC000012550329 518498684 /nfs/dbraw/zinc/49/86/84/518498684.db2.gz WKDVCCHIHZMNEC-UHFFFAOYSA-N 0 0 434.499 5.478 50 0 IKAARN CC(=O)c1sc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)nc1-c1ccccc1 ZINC000012812812 518498699 /nfs/dbraw/zinc/49/86/99/518498699.db2.gz RZQBXBMWYUOJHM-UHFFFAOYSA-N 0 0 446.532 5.009 50 0 IKAARN CC(=O)c1sc(NC(=O)COc2ccc(Oc3ccccn3)cc2)nc1-c1ccccc1 ZINC000012521800 518498732 /nfs/dbraw/zinc/49/87/32/518498732.db2.gz BRMVTKRHVKMNAO-UHFFFAOYSA-N 0 0 445.500 5.218 50 0 IKAARN CC(=O)c1sc2[nH]c(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)nc(=O)c2c1C ZINC000012676810 518499356 /nfs/dbraw/zinc/49/93/56/518499356.db2.gz WZOKJMLLRDRVQW-UHFFFAOYSA-N 0 0 441.940 5.041 50 0 IKAARN CC(C)(C)C(=O)NCCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000012765289 518578067 /nfs/dbraw/zinc/57/80/67/518578067.db2.gz XWYCEIWFXPBRFI-UHFFFAOYSA-N 0 0 435.387 5.091 50 0 IKAARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C(C)(C)Nc1ccccc1 ZINC000022203842 518954236 /nfs/dbraw/zinc/95/42/36/518954236.db2.gz GRCZQAAWAHSMGU-WXFJXSOESA-N 0 0 444.410 6.628 50 0 IKAARN CC(C)(C)c1cc(OS(=O)(=O)c2cccc3cccnc32)n(-c2cccc(Cl)c2)n1 ZINC000035689918 519005558 /nfs/dbraw/zinc/00/55/58/519005558.db2.gz AULNPRPBBGSYBI-UHFFFAOYSA-N 0 0 441.940 5.139 50 0 IKAARN CC(C)(C)c1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)o2)cc1 ZINC000020807650 519008546 /nfs/dbraw/zinc/00/85/46/519008546.db2.gz YZUOJLAYWFNBLJ-UHFFFAOYSA-N 0 0 446.572 6.084 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000012373607 519014653 /nfs/dbraw/zinc/01/46/53/519014653.db2.gz HJIACRFVJIOLDV-UHFFFAOYSA-N 0 0 448.542 5.049 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)cc1 ZINC000023459944 519020089 /nfs/dbraw/zinc/02/00/89/519020089.db2.gz CKCWBKUQUZINSB-UHFFFAOYSA-N 0 0 429.951 6.743 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000012843142 519021708 /nfs/dbraw/zinc/02/17/08/519021708.db2.gz WJQPYPNKJIJJPL-UHFFFAOYSA-N 0 0 445.582 5.698 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 ZINC000015980270 519025055 /nfs/dbraw/zinc/02/50/55/519025055.db2.gz ZKOVKMIPGVWFRK-MOSHPQCFSA-N 0 0 440.326 6.895 50 0 IKAARN CC(C)(C)c1ccc(CN(CC(=O)N2CCS[C@H]2c2ccccc2Cl)C2CC2)cc1 ZINC000035843658 519027340 /nfs/dbraw/zinc/02/73/40/519027340.db2.gz UUOPCNNVRRNCEN-DEOSSOPVSA-N 0 0 443.056 5.876 50 0 IKAARN CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000015669801 519027667 /nfs/dbraw/zinc/02/76/67/519027667.db2.gz QHVMJHUNHGCNKS-UHFFFAOYSA-N 0 0 448.950 6.728 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000035928096 519033489 /nfs/dbraw/zinc/03/34/89/519033489.db2.gz WGDOAFSOAIMLDL-QHCPKHFHSA-N 0 0 436.602 6.077 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000035928095 519034250 /nfs/dbraw/zinc/03/42/50/519034250.db2.gz JMXFOMFACMPHMP-RUZDIDTESA-N 0 0 436.621 6.282 50 0 IKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000035928084 519034600 /nfs/dbraw/zinc/03/46/00/519034600.db2.gz ZJTWFEYDVNOFCV-VWLOTQADSA-N 0 0 448.563 6.154 50 0 IKAARN CC(C)(C)c1ccc([C@H](CC(=O)N2CCC3(CC2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000035893067 519049334 /nfs/dbraw/zinc/04/93/34/519049334.db2.gz CQKXCSJYRNHNEB-QHCPKHFHSA-N 0 0 446.591 5.353 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018062069 519050472 /nfs/dbraw/zinc/05/04/72/519050472.db2.gz IUTLYTNICBKNHE-SDHSZQHLSA-N 0 0 440.543 5.031 50 0 IKAARN CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012437064 519050961 /nfs/dbraw/zinc/05/09/61/519050961.db2.gz UHTUCRATYFVMHX-LMSSTIIKSA-N 0 0 432.567 7.380 50 0 IKAARN CC(C)(C)c1noc(CCCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000089725297 519132291 /nfs/dbraw/zinc/13/22/91/519132291.db2.gz OMMYOQOUMGNGCM-UHFFFAOYSA-N 0 0 430.508 5.651 50 0 IKAARN CC(=O)Cc1nsc(NC(=O)c2cc(-c3cc(C(F)(F)F)ccc3Cl)oc2C)n1 ZINC000012273972 519437533 /nfs/dbraw/zinc/43/75/33/519437533.db2.gz WDTUHDJFOVWWLN-UHFFFAOYSA-N 0 0 443.834 5.163 50 0 IKAARN CC(C)C(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)[C@H](C)C(C)C ZINC000035944641 519453560 /nfs/dbraw/zinc/45/35/60/519453560.db2.gz CEMSPJNCMJDWCT-GOSISDBHSA-N 0 0 444.019 5.687 50 0 IKAARN CC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000035944049 519465525 /nfs/dbraw/zinc/46/55/25/519465525.db2.gz UUOPWFVQDBETAO-SFHVURJKSA-N 0 0 433.527 5.254 50 0 IKAARN CC(=O)N(c1nc(COC(=O)/C=C/c2ccc(C)s2)cs1)c1ccc(C)c(C)c1 ZINC000021465157 519475432 /nfs/dbraw/zinc/47/54/32/519475432.db2.gz HYTKDTSILBMQNH-MDZDMXLPSA-N 0 0 426.563 5.571 50 0 IKAARN CC(=O)N(c1nc(COC(=O)CCc2ccc3ccccc3n2)cs1)c1ccccc1 ZINC000021432382 519475442 /nfs/dbraw/zinc/47/54/42/519475442.db2.gz MRGDYASOWZVILB-UHFFFAOYSA-N 0 0 431.517 5.052 50 0 IKAARN CC(=O)N(c1nc(COC(=O)CCc2cccs2)cs1)c1c(C)cc(C)cc1C ZINC000022314784 519476870 /nfs/dbraw/zinc/47/68/70/519476870.db2.gz UPEXFNZAHHJDPZ-UHFFFAOYSA-N 0 0 428.579 5.490 50 0 IKAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCCC2)cs1)c1cccc(Cl)c1 ZINC000012814291 519478240 /nfs/dbraw/zinc/47/82/40/519478240.db2.gz VWRJCSGKRIOZIF-UHFFFAOYSA-N 0 0 449.005 5.265 50 0 IKAARN CC(=O)N(c1nc(CSc2nc(C)c(C)n2C2CCCC2)cs1)c1cccc(C)c1 ZINC000012541060 519479198 /nfs/dbraw/zinc/47/91/98/519479198.db2.gz UPGWSVMWIJXHQD-UHFFFAOYSA-N 0 0 440.638 6.357 50 0 IKAARN CC(C)Cn1c(S[C@H](C(N)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000012814904 519489249 /nfs/dbraw/zinc/48/92/49/519489249.db2.gz YCQLXPYDPNBUDM-KRWDZBQOSA-N 0 0 435.380 5.227 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)[C@H](C)c2ccccc2)c1 ZINC000035944560 519522808 /nfs/dbraw/zinc/52/28/08/519522808.db2.gz MSNZLONEYWHQEU-LJQANCHMSA-N 0 0 449.620 5.812 50 0 IKAARN CC(C)CC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849100 519581160 /nfs/dbraw/zinc/58/11/60/519581160.db2.gz HRNAVVCBCVJMGH-UHFFFAOYSA-N 0 0 440.657 5.313 50 0 IKAARN CC(=O)N1CCN(c2ccc(Oc3ncnc4scc(-c5ccc(C)cc5)c43)cc2)CC1 ZINC000012534895 519592811 /nfs/dbraw/zinc/59/28/11/519592811.db2.gz QNSBWSPBZFSJJH-UHFFFAOYSA-N 0 0 444.560 5.128 50 0 IKAARN CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000012905049 519604215 /nfs/dbraw/zinc/60/42/15/519604215.db2.gz URRQABRVOMGUSJ-UHFFFAOYSA-N 0 0 440.594 5.301 50 0 IKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 ZINC000012913131 519605498 /nfs/dbraw/zinc/60/54/98/519605498.db2.gz MWXRHWSKSZDGNI-UHFFFAOYSA-N 0 0 448.420 5.267 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000035945143 519605936 /nfs/dbraw/zinc/60/59/36/519605936.db2.gz AQJBKMWZCWPGOB-IBGZPJMESA-N 0 0 441.591 5.563 50 0 IKAARN CC(C)CC(=O)Nc1cccc(-n2nc(OC(C)C)nc2-c2ccc(Cl)c(Cl)c2)c1 ZINC000037385584 519607558 /nfs/dbraw/zinc/60/75/58/519607558.db2.gz PLXHGMMCNRKONG-UHFFFAOYSA-N 0 0 447.366 6.013 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@H]1c1ccccc1 ZINC000032998037 519638890 /nfs/dbraw/zinc/63/88/90/519638890.db2.gz FOXJDPMMZQSQIU-QHCPKHFHSA-N 0 0 434.565 5.429 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@H]1c1ccccc1C ZINC000032998025 519639038 /nfs/dbraw/zinc/63/90/38/519639038.db2.gz SGRNTBVFWFGKDQ-DEOSSOPVSA-N 0 0 448.592 5.738 50 0 IKAARN CC(C)CCN1c2cc(NC(=O)NCc3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000022510173 519654504 /nfs/dbraw/zinc/65/45/04/519654504.db2.gz CUTDJWVHUPXBIR-UHFFFAOYSA-N 0 0 443.975 5.459 50 0 IKAARN CC(C)CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727621 519656028 /nfs/dbraw/zinc/65/60/28/519656028.db2.gz WLAOZXYMLDBLRZ-MOSHPQCFSA-N 0 0 448.510 5.348 50 0 IKAARN CC(C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(OCc2ccccc2)c1 ZINC000035768514 519656357 /nfs/dbraw/zinc/65/63/57/519656357.db2.gz MTLGBFZMEGMBGU-SANMLTNESA-N 0 0 440.587 6.431 50 0 IKAARN CC(C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768798 519656472 /nfs/dbraw/zinc/65/64/72/519656472.db2.gz RNBKBRQVTROTKB-SANMLTNESA-N 0 0 442.578 6.513 50 0 IKAARN CC(C)CCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1C1CCCCCC1 ZINC000021911879 519659960 /nfs/dbraw/zinc/65/99/60/519659960.db2.gz ACMVHVGFZKWSNW-QHCPKHFHSA-N 0 0 441.641 5.039 50 0 IKAARN CC(C)CCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1C1CCCCCC1 ZINC000021911875 519661412 /nfs/dbraw/zinc/66/14/12/519661412.db2.gz ACMVHVGFZKWSNW-HSZRJFAPSA-N 0 0 441.641 5.039 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1 ZINC000012565865 519664341 /nfs/dbraw/zinc/66/43/41/519664341.db2.gz JCTKMAYPZBXTNZ-UHFFFAOYSA-N 0 0 429.347 6.557 50 0 IKAARN CC(C)N1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020840645 519690554 /nfs/dbraw/zinc/69/05/54/519690554.db2.gz JJHBOBAEDATFAY-UHFFFAOYSA-N 0 0 447.629 5.506 50 0 IKAARN CC(C)N1c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2Sc2ccccc2C1=O ZINC000021355236 519699972 /nfs/dbraw/zinc/69/99/72/519699972.db2.gz ADMRJEDTNQYMEB-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000012507853 519708286 /nfs/dbraw/zinc/70/82/86/519708286.db2.gz HCWYMBBTZKRRQR-UHFFFAOYSA-N 0 0 434.439 5.132 50 0 IKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3csc(-c4ccsc4)n3)n2)c(F)c1 ZINC000021975331 519708321 /nfs/dbraw/zinc/70/83/21/519708321.db2.gz RLPOXGGYSDKKLI-UHFFFAOYSA-N 0 0 444.538 5.345 50 0 IKAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000035978742 519710189 /nfs/dbraw/zinc/71/01/89/519710189.db2.gz ZKHIHXQXQRJTJG-UHFFFAOYSA-N 0 0 436.531 5.349 50 0 IKAARN CC(=O)Nc1ccc(C(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000033020221 519711257 /nfs/dbraw/zinc/71/12/57/519711257.db2.gz XXIJVIDHFOSMGL-UHFFFAOYSA-N 0 0 436.537 5.026 50 0 IKAARN CC(C)NC(=O)Nc1c(N)n(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)cc1 ZINC000035868132 519712558 /nfs/dbraw/zinc/71/25/58/519712558.db2.gz ZJYGNESUPRHEML-UHFFFAOYSA-N 0 0 437.853 5.324 50 0 IKAARN CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736365 519717773 /nfs/dbraw/zinc/71/77/73/519717773.db2.gz KEMBPIHMWAYRPI-OYKKKHCWSA-N 0 0 446.547 5.644 50 0 IKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)C1CCCC1 ZINC000035977303 519717758 /nfs/dbraw/zinc/71/77/58/519717758.db2.gz GTQGBZRPWRKITK-UHFFFAOYSA-N 0 0 449.570 6.193 50 0 IKAARN CC(C)CN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(F)c1 ZINC000035979611 519718498 /nfs/dbraw/zinc/71/84/98/519718498.db2.gz VMHFRYBJFRRBHT-UHFFFAOYSA-N 0 0 434.342 5.676 50 0 IKAARN CC(C)CN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1F ZINC000035979777 519718665 /nfs/dbraw/zinc/71/86/65/519718665.db2.gz HTGUVQZVRBAGCJ-UHFFFAOYSA-N 0 0 434.342 5.676 50 0 IKAARN CC(C)CN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844672 519718730 /nfs/dbraw/zinc/71/87/30/519718730.db2.gz HIWOHKLZBRAVRR-UHFFFAOYSA-N 0 0 436.468 6.492 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000020904371 519719899 /nfs/dbraw/zinc/71/98/99/519719899.db2.gz WFDGBVVOYKKDJG-VXKWHMMOSA-N 0 0 438.980 5.977 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 ZINC000020904370 519719947 /nfs/dbraw/zinc/71/99/47/519719947.db2.gz MQRINDARNOSCCE-FGZHOGPDSA-N 0 0 438.980 5.977 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)cc1Cl ZINC000012771792 519725250 /nfs/dbraw/zinc/72/52/50/519725250.db2.gz HFZCZVNWLXQUDC-UHFFFAOYSA-N 0 0 438.846 5.201 50 0 IKAARN CC(=O)Nc1ccc(Oc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)cc1 ZINC000012766410 519729298 /nfs/dbraw/zinc/72/92/98/519729298.db2.gz MRURURYFOIACHD-UHFFFAOYSA-N 0 0 436.581 5.163 50 0 IKAARN CC(C)CNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(F)cc1 ZINC000012541356 519734599 /nfs/dbraw/zinc/73/45/99/519734599.db2.gz SASBLVNADUCESS-XMHGGMMESA-N 0 0 446.522 5.180 50 0 IKAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(SCc4cscn4)cc3)sc2c1 ZINC000012765002 519735018 /nfs/dbraw/zinc/73/50/18/519735018.db2.gz VJYCCTHJAOXTHE-UHFFFAOYSA-N 0 0 440.575 5.256 50 0 IKAARN CC(C)Nc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000012640350 519741892 /nfs/dbraw/zinc/74/18/92/519741892.db2.gz HJFYGPUIZAIKJH-UHFFFAOYSA-N 0 0 448.455 6.445 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000023193971 519747552 /nfs/dbraw/zinc/74/75/52/519747552.db2.gz GCVJNRLDMWNOIU-AVRWGWEMSA-N 0 0 430.573 5.452 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2cccc(C)c2)c1 ZINC000012817459 519747639 /nfs/dbraw/zinc/74/76/39/519747639.db2.gz BHKDGTPAASSGNJ-LEWJYISDSA-N 0 0 430.548 5.511 50 0 IKAARN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Cl)c(Cl)c1 ZINC000012364450 519750278 /nfs/dbraw/zinc/75/02/78/519750278.db2.gz TUHFZNZEHPPYTM-UHFFFAOYSA-N 0 0 438.314 6.141 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000253501678 519757112 /nfs/dbraw/zinc/75/71/12/519757112.db2.gz XUGISPSHIFXEHZ-HRXWJJPASA-N 0 0 428.701 7.960 50 0 IKAARN CC(C)COc1ccc(CN(Cc2ccncc2)C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000012185270 519762903 /nfs/dbraw/zinc/76/29/03/519762903.db2.gz AZXFOGBHGKSPCS-FMIVXFBMSA-N 0 0 434.967 6.012 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cc1 ZINC000021934935 519779623 /nfs/dbraw/zinc/77/96/23/519779623.db2.gz VPGZNGZMNMAXEL-UHFFFAOYSA-N 0 0 431.923 5.667 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000035430214 519779771 /nfs/dbraw/zinc/77/97/71/519779771.db2.gz MQHSRBCWQBIEGJ-UHFFFAOYSA-N 0 0 430.483 5.230 50 0 IKAARN CC(C)Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012192457 519784890 /nfs/dbraw/zinc/78/48/90/519784890.db2.gz NIFJYAHTPLYRHT-GGXMVOPNSA-N 0 0 434.539 6.869 50 0 IKAARN CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NC(=O)C(C)C)c2)n1 ZINC000037385450 519785572 /nfs/dbraw/zinc/78/55/72/519785572.db2.gz PXQQOGMJKKLYMH-UHFFFAOYSA-N 0 0 432.446 5.335 50 0 IKAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000035944678 519791250 /nfs/dbraw/zinc/79/12/50/519791250.db2.gz PIJUUJGUAJXCSI-GOSISDBHSA-N 0 0 439.575 5.317 50 0 IKAARN CC(C)[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 ZINC000023820138 519796738 /nfs/dbraw/zinc/79/67/38/519796738.db2.gz GNOJBFDDJIWDCW-QGZVFWFLSA-N 0 0 445.938 5.545 50 0 IKAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000015224160 519797798 /nfs/dbraw/zinc/79/77/98/519797798.db2.gz IBIWSUMXYFEOAT-QHCPKHFHSA-N 0 0 439.448 6.246 50 0 IKAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035944705 519812005 /nfs/dbraw/zinc/81/20/05/519812005.db2.gz VEIOSUGGHJYXET-SFHVURJKSA-N 0 0 441.591 5.563 50 0 IKAARN CC(C)[C@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000015224162 519819485 /nfs/dbraw/zinc/81/94/85/519819485.db2.gz IBIWSUMXYFEOAT-HSZRJFAPSA-N 0 0 439.448 6.246 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 ZINC000012600534 519825657 /nfs/dbraw/zinc/82/56/57/519825657.db2.gz UOWDLPLBZWLOGM-HBNMSFPOSA-N 0 0 432.607 5.897 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012565770 519825658 /nfs/dbraw/zinc/82/56/58/519825658.db2.gz ZBGFAOCRDSWENG-BRXVMWLGSA-N 0 0 440.605 6.067 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000035550855 519825748 /nfs/dbraw/zinc/82/57/48/519825748.db2.gz KJNSHWRAMQNRCS-XNRPHZJLSA-N 0 0 443.392 6.369 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](O)C(C)(C)C ZINC000239347164 519825822 /nfs/dbraw/zinc/82/58/22/519825822.db2.gz MFXRPKFYWKDYMI-CSRCFECVSA-N 0 0 444.637 7.499 50 0 IKAARN CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1cccc2ccccc21 ZINC000036055701 519826084 /nfs/dbraw/zinc/82/60/84/519826084.db2.gz ZHYCDPOQKOCTHY-SXLMQBLVSA-N 0 0 434.583 7.694 50 0 IKAARN CC(C)c1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)cc1 ZINC000020603278 519833757 /nfs/dbraw/zinc/83/37/57/519833757.db2.gz MROCQKONDUBELQ-HNNXBMFYSA-N 0 0 449.498 5.442 50 0 IKAARN CC(C)c1ccc(-n2nc3nc(NCc4cccnc4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929639 519834201 /nfs/dbraw/zinc/83/42/01/519834201.db2.gz HZZGFACWPXXQKP-UHFFFAOYSA-N 0 0 435.535 5.195 50 0 IKAARN CC(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000012530314 519834331 /nfs/dbraw/zinc/83/43/31/519834331.db2.gz KABLHKWKOHULLL-CXUHLZMHSA-N 0 0 445.360 6.442 50 0 IKAARN CC(C)c1ccc(CSc2nnc(NC(=O)c3ccccc3Br)s2)cc1 ZINC000035924492 519836448 /nfs/dbraw/zinc/83/64/48/519836448.db2.gz RXMGGGAVHYSNFO-UHFFFAOYSA-N 0 0 448.411 5.969 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035910412 519836614 /nfs/dbraw/zinc/83/66/14/519836614.db2.gz RKIZTFXQOMUBJP-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCC3CCCC3)c2)cc1 ZINC000035910436 519836671 /nfs/dbraw/zinc/83/66/71/519836671.db2.gz HEUOSSZSKKMUIM-AREMUKBSSA-N 0 0 436.621 6.498 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000035910396 519836707 /nfs/dbraw/zinc/83/67/07/519836707.db2.gz SNKRAXFFXSWNRJ-XMMPIXPASA-N 0 0 436.602 5.831 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1 ZINC000035910441 519836714 /nfs/dbraw/zinc/83/67/14/519836714.db2.gz ZDOCROZTFHGHSW-DEOSSOPVSA-N 0 0 436.602 5.831 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000035910385 519836729 /nfs/dbraw/zinc/83/67/29/519836729.db2.gz SPABZCKKOHIJFJ-SANMLTNESA-N 0 0 430.573 5.770 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035910411 519836825 /nfs/dbraw/zinc/83/68/25/519836825.db2.gz RKIZTFXQOMUBJP-VWLOTQADSA-N 0 0 434.536 5.980 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000012579822 519837060 /nfs/dbraw/zinc/83/70/60/519837060.db2.gz UKWUMKGJWJLWEW-UHFFFAOYSA-N 0 0 427.573 6.598 50 0 IKAARN CC(C)c1ccc(Nc2c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc3ncccn32)cc1 ZINC000015414249 519837783 /nfs/dbraw/zinc/83/77/83/519837783.db2.gz GSBJIYYAGNOELV-UHFFFAOYSA-N 0 0 428.580 7.216 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000035527854 519838481 /nfs/dbraw/zinc/83/84/81/519838481.db2.gz OGWWAZHRKQGWRF-IBGZPJMESA-N 0 0 431.945 5.039 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000012552484 519838806 /nfs/dbraw/zinc/83/88/06/519838806.db2.gz YKRZADRNOLIJGM-UHFFFAOYSA-N 0 0 433.165 5.136 50 0 IKAARN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2cnccn2)c2cccs2)cc1 ZINC000021523298 519839679 /nfs/dbraw/zinc/83/96/79/519839679.db2.gz IEIUGXMUUIFNDO-HSZRJFAPSA-N 0 0 448.592 5.108 50 0 IKAARN CC(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193833 519840466 /nfs/dbraw/zinc/84/04/66/519840466.db2.gz QQSCPTWWKANGPZ-ILBGXUMGSA-N 0 0 437.370 7.359 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000020807951 519840767 /nfs/dbraw/zinc/84/07/67/519840767.db2.gz VSFBBHUFIPNWNS-DTQAZKPQSA-N 0 0 448.522 7.530 50 0 IKAARN CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)[PH]1=O ZINC000035861137 519841034 /nfs/dbraw/zinc/84/10/34/519841034.db2.gz SQYNIVDXVZPMLW-UHFFFAOYSA-N 0 0 426.585 7.897 50 0 IKAARN CC(C)c1ccccc1-n1ccnc1SCc1nnc(C(=O)NCc2ccccc2)s1 ZINC000022080042 519844246 /nfs/dbraw/zinc/84/42/46/519844246.db2.gz SECDGROFEQHVAV-UHFFFAOYSA-N 0 0 449.605 5.070 50 0 IKAARN CC(C)c1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc43)nc21 ZINC000012361946 519844390 /nfs/dbraw/zinc/84/43/90/519844390.db2.gz IOSSFINDKKMKND-UHFFFAOYSA-N 0 0 437.568 6.815 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCc1ccccc1 ZINC000035927566 519844670 /nfs/dbraw/zinc/84/46/70/519844670.db2.gz IFSWQFDNPNEAEA-HHHXNRCGSA-N 0 0 444.600 6.160 50 0 IKAARN CC(C)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012383094 519846608 /nfs/dbraw/zinc/84/66/08/519846608.db2.gz OMJNHCIIHXSBAM-UHFFFAOYSA-N 0 0 442.968 5.541 50 0 IKAARN CC(C)c1nc2ccccc2c(Nc2ccc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c3c2)n1 ZINC000041195121 519869414 /nfs/dbraw/zinc/86/94/14/519869414.db2.gz MJGFSPYZZXPYSA-UHFFFAOYSA-N 0 0 448.357 7.347 50 0 IKAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035865787 519872370 /nfs/dbraw/zinc/87/23/70/519872370.db2.gz ZIYKEJQJWSFYEP-INIZCTEOSA-N 0 0 428.646 5.024 50 0 IKAARN CCCNC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C1CC1 ZINC000035973067 519883295 /nfs/dbraw/zinc/88/32/95/519883295.db2.gz WAJGCKUBBRNUOU-UHFFFAOYSA-N 0 0 436.531 5.450 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000035980913 519883361 /nfs/dbraw/zinc/88/33/61/519883361.db2.gz UTWCJTWFGOPYSS-UHFFFAOYSA-N 0 0 436.531 5.350 50 0 IKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC1CC1 ZINC000035980855 519883433 /nfs/dbraw/zinc/88/34/33/519883433.db2.gz LRILUOGTHILBIP-UHFFFAOYSA-N 0 0 448.567 5.220 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(OCC)c1)CCCC3 ZINC000021918730 519884033 /nfs/dbraw/zinc/88/40/33/519884033.db2.gz MHOUKCXEWZVDSP-XMMPIXPASA-N 0 0 449.620 5.841 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)CCCC3 ZINC000021917556 519884076 /nfs/dbraw/zinc/88/40/76/519884076.db2.gz DHRMMUAGHKUROV-JOCHJYFZSA-N 0 0 440.012 6.096 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1)CCCC3 ZINC000021539286 519884110 /nfs/dbraw/zinc/88/41/10/519884110.db2.gz DEENIUMZHRSOIS-VWLOTQADSA-N 0 0 447.648 6.566 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)CCCC3 ZINC000021917550 519884119 /nfs/dbraw/zinc/88/41/19/519884119.db2.gz DHRMMUAGHKUROV-QFIPXVFZSA-N 0 0 440.012 6.096 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cccc(C)c1F ZINC000023331410 519901247 /nfs/dbraw/zinc/90/12/47/519901247.db2.gz KLQPHWPKEPIXHR-UHFFFAOYSA-N 0 0 430.545 5.379 50 0 IKAARN CCCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865405 519907587 /nfs/dbraw/zinc/90/75/87/519907587.db2.gz WCMWNFWYFOHTLA-SJORKVTESA-N 0 0 428.646 5.168 50 0 IKAARN CCCCC(=O)N1CCN(C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022629549 519907712 /nfs/dbraw/zinc/90/77/12/519907712.db2.gz VJJIBTQESVLYPK-DEOSSOPVSA-N 0 0 429.004 5.241 50 0 IKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000033000671 519914810 /nfs/dbraw/zinc/91/48/10/519914810.db2.gz GTQDZUAXJVSNBN-UHFFFAOYSA-N 0 0 433.986 5.809 50 0 IKAARN CCN(C(=O)COc1ccc2c(c1)c(C(=O)OC)c(C)n2-c1ccccc1)c1ccccc1 ZINC000012590752 519917862 /nfs/dbraw/zinc/91/78/62/519917862.db2.gz HNKALEDDTPRPHC-UHFFFAOYSA-N 0 0 442.515 5.157 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865498 519926638 /nfs/dbraw/zinc/92/66/38/519926638.db2.gz OWEOMZZQRBGZHR-MSOLQXFVSA-N 0 0 442.673 5.559 50 0 IKAARN CCCCCC(=O)N1CCN(c2nc(CCCC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035866383 519926854 /nfs/dbraw/zinc/92/68/54/519926854.db2.gz HGGZYVVHCDUANO-GOSISDBHSA-N 0 0 442.673 5.388 50 0 IKAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000016044046 519937008 /nfs/dbraw/zinc/93/70/08/519937008.db2.gz DLIOOIZLOMVKEC-UHFFFAOYSA-N 0 0 433.957 5.377 50 0 IKAARN CCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927051 519937489 /nfs/dbraw/zinc/93/74/89/519937489.db2.gz RWGVBJPQURZXFT-OAQYLSRUSA-N 0 0 436.499 6.003 50 0 IKAARN CCCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)CC(C)C ZINC000035765808 519951049 /nfs/dbraw/zinc/95/10/49/519951049.db2.gz JYYIBYJJRLVUNZ-UHFFFAOYSA-N 0 0 426.601 5.572 50 0 IKAARN CCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C1CC1)c1cccc2ccccc21 ZINC000012873930 520042824 /nfs/dbraw/zinc/04/28/24/520042824.db2.gz VDHMUBQDCLIENZ-KRWDZBQOSA-N 0 0 443.576 5.362 50 0 IKAARN CCCCCCN(C(=O)c1cccc(OC)c1)[C@@H](CC)c1nc2ccccc2c(=O)n1C ZINC000035688523 520074158 /nfs/dbraw/zinc/07/41/58/520074158.db2.gz NYUZSQCEWAJGOQ-QHCPKHFHSA-N 0 0 435.568 5.116 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012743366 520079846 /nfs/dbraw/zinc/07/98/46/520079846.db2.gz NMMTVLBWJCDHNW-UHFFFAOYSA-N 0 0 442.441 5.563 50 0 IKAARN CCN(C(=O)c1ccc(C)c(S(=O)(=O)N(CC)c2ccccc2)c1)c1ccc(F)cc1 ZINC000012739264 520080402 /nfs/dbraw/zinc/08/04/02/520080402.db2.gz REEOJIVHWJFKMP-UHFFFAOYSA-N 0 0 440.540 5.016 50 0 IKAARN CCCCCCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000035891801 520084997 /nfs/dbraw/zinc/08/49/97/520084997.db2.gz AJNLFJCNYVWLGE-OAQYLSRUSA-N 0 0 430.514 6.416 50 0 IKAARN CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1cccc(C(F)(F)F)c1 ZINC000035889131 520086699 /nfs/dbraw/zinc/08/66/99/520086699.db2.gz QCHGXSOJACDQMK-QFIPXVFZSA-N 0 0 444.541 6.968 50 0 IKAARN CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000012555152 520105017 /nfs/dbraw/zinc/10/50/17/520105017.db2.gz PCCIVZOMRFDMLE-OZXSUGGESA-N 0 0 432.589 6.950 50 0 IKAARN CCCCCCOc1ccccc1-c1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000023334577 520108715 /nfs/dbraw/zinc/10/87/15/520108715.db2.gz STRPCKYFDQKFLZ-UHFFFAOYSA-N 0 0 426.560 6.265 50 0 IKAARN CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012555154 520108778 /nfs/dbraw/zinc/10/87/78/520108778.db2.gz PCCIVZOMRFDMLE-BVAGGSTKSA-N 0 0 432.589 6.950 50 0 IKAARN CCCCCC[C@H](C)N/C=C1\c2ccccc2C(=O)N(c2ccc(OC)c(OC)c2)C1=O ZINC000023409111 520127704 /nfs/dbraw/zinc/12/77/04/520127704.db2.gz RIVGTJOZSKQUIM-VJWQYWRGSA-N 0 0 436.552 5.180 50 0 IKAARN CCCCCCn1c(=O)c2ccccc2nc1SCc1cn2cc(Cl)ccc2n1 ZINC000012659205 520139842 /nfs/dbraw/zinc/13/98/42/520139842.db2.gz CHAUZNKOZNXREW-UHFFFAOYSA-N 0 0 426.973 5.570 50 0 IKAARN CCCCCN(Cc1cccn1Cc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000035729233 520175652 /nfs/dbraw/zinc/17/56/52/520175652.db2.gz GEGHPZJNLSLTKP-UHFFFAOYSA-N 0 0 439.397 6.132 50 0 IKAARN CCCCCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012869219 520181392 /nfs/dbraw/zinc/18/13/92/520181392.db2.gz CYKREKBXJDOCIW-BCHFMIIMSA-N 0 0 449.982 5.043 50 0 biogenic IKAARN CCCNc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000012566647 520188157 /nfs/dbraw/zinc/18/81/57/520188157.db2.gz FLMFWVDWUNMRBH-UHFFFAOYSA-N 0 0 448.455 6.447 50 0 IKAARN CCN(C)C(=O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCCC3)n2)cc1 ZINC000036038578 520218231 /nfs/dbraw/zinc/21/82/31/520218231.db2.gz KMLFCPCEVVIEFT-UHFFFAOYSA-N 0 0 432.593 5.128 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000012194571 520255384 /nfs/dbraw/zinc/25/53/84/520255384.db2.gz KVNZKNXBBWKINH-CUNXSJBXSA-N 0 0 446.547 6.408 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000012192882 520255655 /nfs/dbraw/zinc/25/56/55/520255655.db2.gz QCAJQTVUTNCVIG-CUBQBAPOSA-N 0 0 442.559 6.507 50 0 IKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000012194577 520257672 /nfs/dbraw/zinc/25/76/72/520257672.db2.gz KVNZKNXBBWKINH-WXVAWEFUSA-N 0 0 446.547 6.408 50 0 IKAARN CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(Br)cc1 ZINC000012402413 520274198 /nfs/dbraw/zinc/27/41/98/520274198.db2.gz UNOUMYXBWDDTAL-LSWJPFSZSA-N 0 0 435.365 5.929 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)N(C(C)=O)c1ccccc1-2 ZINC000015016828 520274304 /nfs/dbraw/zinc/27/43/04/520274304.db2.gz BJDDEHLVVCDZGN-SFZDQAMXSA-N 0 0 446.576 5.606 50 0 IKAARN CCCOc1c2cc(NC(=O)CCc3ccc(OC)cc3)ccc2sc1C(=O)OC ZINC000033123458 520299992 /nfs/dbraw/zinc/29/99/92/520299992.db2.gz SRXBJSRAIIPLTR-UHFFFAOYSA-N 0 0 427.522 5.057 50 0 IKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 ZINC000012111331 520317662 /nfs/dbraw/zinc/31/76/62/520317662.db2.gz NVKSYEGVUUKMRT-UHFFFAOYSA-N 0 0 425.872 5.794 50 0 IKAARN CCCCCn1cc(C2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccccc21 ZINC000023334453 520333596 /nfs/dbraw/zinc/33/35/96/520333596.db2.gz HMZIXSIQSXTTTA-UHFFFAOYSA-N 0 0 440.609 5.408 50 0 IKAARN CCCOc1ccc(C(=O)CCC(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1 ZINC000012525162 520334396 /nfs/dbraw/zinc/33/43/96/520334396.db2.gz XJNIVJFUUSBGPY-HHHXNRCGSA-N 0 0 441.531 5.220 50 0 IKAARN CCCOc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000003000249 520336348 /nfs/dbraw/zinc/33/63/48/520336348.db2.gz SNZPJJDIOAYMAF-UHFFFAOYSA-N 0 0 447.585 5.879 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OCCC)cc2)cc1 ZINC000012137798 520338007 /nfs/dbraw/zinc/33/80/07/520338007.db2.gz RKLZXFLHFHJWNS-UHFFFAOYSA-N 0 0 432.520 5.769 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000014582861 520340533 /nfs/dbraw/zinc/34/05/33/520340533.db2.gz JTKGBCNBOMSHFK-UHFFFAOYSA-N 0 0 433.430 5.037 50 0 IKAARN CCCCN(C(=O)COc1ccc(C(C)=O)cc1OC)c1nc2ccc(C)cc2s1 ZINC000021056273 520343928 /nfs/dbraw/zinc/34/39/28/520343928.db2.gz UNOBWHKGEPZJCL-UHFFFAOYSA-N 0 0 426.538 5.028 50 0 IKAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000012691364 520352312 /nfs/dbraw/zinc/35/23/12/520352312.db2.gz GTRLKYWUAOGJPO-UHFFFAOYSA-N 0 0 448.922 5.351 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000012756025 520354691 /nfs/dbraw/zinc/35/46/91/520354691.db2.gz NHPAPCXRCQTRTP-UHFFFAOYSA-N 0 0 427.957 5.181 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cc(OCc3ccc(C)cc3)nc3ccccc32)cc1 ZINC000021094488 520362397 /nfs/dbraw/zinc/36/23/97/520362397.db2.gz HEDHONLMAMBPSK-UHFFFAOYSA-N 0 0 440.543 5.841 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000032997038 520364265 /nfs/dbraw/zinc/36/42/65/520364265.db2.gz GIZQXUKPFDTGRM-UHFFFAOYSA-N 0 0 438.531 5.606 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OCC ZINC000021725604 520433512 /nfs/dbraw/zinc/43/35/12/520433512.db2.gz DDSOGEZSFFRVOQ-MRXNPFEDSA-N 0 0 448.548 5.144 50 0 IKAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844747 520440856 /nfs/dbraw/zinc/44/08/56/520440856.db2.gz XVEZUAKBFGXWNH-UHFFFAOYSA-N 0 0 436.571 5.601 50 0 IKAARN CCN(CC)C(=O)C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000035768480 520499776 /nfs/dbraw/zinc/49/97/76/520499776.db2.gz NDWJCDXJXPJICF-QFIPXVFZSA-N 0 0 434.580 6.281 50 0 IKAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000017286852 520525612 /nfs/dbraw/zinc/52/56/12/520525612.db2.gz SHOGJSUCVMCQQD-UHFFFAOYSA-N 0 0 434.561 5.098 50 0 IKAARN CCOC(=O)C1=C(NC(=O)c2ccc(-c3ccccc3)cc2)Nc2ccccc2N=C1C ZINC000016035328 520531343 /nfs/dbraw/zinc/53/13/43/520531343.db2.gz LUXYGVYKUWZCKM-UHFFFAOYSA-N 0 0 425.488 5.076 50 0 IKAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)nc2)C1 ZINC000035924658 520537192 /nfs/dbraw/zinc/53/71/92/520537192.db2.gz UWIAZMARKHZJQP-VWLOTQADSA-N 0 0 447.623 5.517 50 0 IKAARN CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2)C[C@@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC000012311199 520553510 /nfs/dbraw/zinc/55/35/10/520553510.db2.gz TWPGDJCMZLPYCW-GBXCKJPGSA-N 0 0 447.406 5.738 50 0 IKAARN CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2)C[C@](C)(CNC(=O)c2ccc(Cl)cc2)C1 ZINC000012311201 520553656 /nfs/dbraw/zinc/55/36/56/520553656.db2.gz TWPGDJCMZLPYCW-RDPSFJRHSA-N 0 0 447.406 5.738 50 0 IKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 ZINC000012899593 520561573 /nfs/dbraw/zinc/56/15/73/520561573.db2.gz OYBGODPFLSIHIF-UHFFFAOYSA-N 0 0 445.523 5.007 50 0 IKAARN CCOC(=O)C1CCN(C(=O)C[C@H](c2cn(CC)c3ccccc23)c2cccc(C)c2)CC1 ZINC000035872448 520563724 /nfs/dbraw/zinc/56/37/24/520563724.db2.gz DQPQBKJZQNVTLK-DEOSSOPVSA-N 0 0 446.591 5.293 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000034711988 520563730 /nfs/dbraw/zinc/56/37/30/520563730.db2.gz NGWSLRONBBSRHU-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN CCCSCCCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916310 520563989 /nfs/dbraw/zinc/56/39/89/520563989.db2.gz NGGLRQUWIPDWIB-UHFFFAOYSA-N 0 0 439.625 5.253 50 0 IKAARN CCCSCCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916121 520564879 /nfs/dbraw/zinc/56/48/79/520564879.db2.gz ZCIJQFCDVRMKCL-UHFFFAOYSA-N 0 0 425.598 5.325 50 0 IKAARN CCN(CC)C(=O)c1csc(-c2ccccc2OCc2cccc(C(F)(F)F)c2)n1 ZINC000034714263 520566863 /nfs/dbraw/zinc/56/68/63/520566863.db2.gz KQSCAQGKMFGXCO-UHFFFAOYSA-N 0 0 434.483 5.890 50 0 IKAARN CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1Cl)C[C@@](C)(CC)OC3 ZINC000024545258 520567708 /nfs/dbraw/zinc/56/77/08/520567708.db2.gz PNEFYWYJGYTISX-JOCHJYFZSA-N 0 0 449.041 5.903 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016751679 520568261 /nfs/dbraw/zinc/56/82/61/520568261.db2.gz LSAQAWFJUOQPFC-XMMPIXPASA-N 0 0 425.484 5.931 50 0 IKAARN CCCSc1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)s1 ZINC000012822599 520573002 /nfs/dbraw/zinc/57/30/02/520573002.db2.gz QSSCQIYDOXUNJG-UHFFFAOYSA-N 0 0 427.620 5.596 50 0 IKAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)oc1c3ncn(Cc2ccccc2)c1=O ZINC000012324965 520576537 /nfs/dbraw/zinc/57/65/37/520576537.db2.gz LMYXQHXCSXQPRF-UHFFFAOYSA-N 0 0 437.499 5.104 50 0 IKAARN CCOc1c(Br)cc(F)cc1NC(=O)c1ccc(F)cc1Br ZINC000012799658 520592861 /nfs/dbraw/zinc/59/28/61/520592861.db2.gz PTWJYAOMMYBCJG-UHFFFAOYSA-N 0 0 435.062 5.141 50 0 IKAARN CCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037385673 520592970 /nfs/dbraw/zinc/59/29/70/520592970.db2.gz LRGGWUZGBPHMJB-DEOSSOPVSA-N 0 0 444.554 5.436 50 0 IKAARN CCOc1c(Cl)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OC ZINC000012754647 520595592 /nfs/dbraw/zinc/59/55/92/520595592.db2.gz ICGWYMOWJXYMEU-UHFFFAOYSA-N 0 0 430.913 5.058 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O ZINC000021524515 520598556 /nfs/dbraw/zinc/59/85/56/520598556.db2.gz QXJGRPRTWGFCDJ-LJQANCHMSA-N 0 0 439.987 5.665 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(Cl)c(C)c2)CC1=O ZINC000021524558 520598678 /nfs/dbraw/zinc/59/86/78/520598678.db2.gz IHWIHDVIFWQVRQ-LJQANCHMSA-N 0 0 439.987 5.583 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O ZINC000021524511 520599028 /nfs/dbraw/zinc/59/90/28/520599028.db2.gz QXJGRPRTWGFCDJ-IBGZPJMESA-N 0 0 439.987 5.665 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)CC1=O ZINC000020897573 520599273 /nfs/dbraw/zinc/59/92/73/520599273.db2.gz VRSIKUPDKRRARS-GOSISDBHSA-N 0 0 425.960 5.193 50 0 IKAARN CCCCN1c2ccc(NC(=O)Cc3ccc(SC(C)C)cc3)c3cccc(c23)C1=O ZINC000012071105 520599596 /nfs/dbraw/zinc/59/95/96/520599596.db2.gz FAXVIETZQSJHCI-UHFFFAOYSA-N 0 0 432.589 6.282 50 0 IKAARN CCOC(=O)CC1(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)CCCCC1 ZINC000021711611 520610769 /nfs/dbraw/zinc/61/07/69/520610769.db2.gz VOWHSPHFMBGQNF-UHFFFAOYSA-N 0 0 448.523 5.181 50 0 IKAARN CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000012659314 520611355 /nfs/dbraw/zinc/61/13/55/520611355.db2.gz KNVZQJYTFCLEGY-XAYXJRQQSA-N 0 0 445.515 6.071 50 0 biogenic IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000032986597 520611462 /nfs/dbraw/zinc/61/14/62/520611462.db2.gz LBOYCSMWOQIWQL-UHFFFAOYSA-N 0 0 434.898 6.654 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc21 ZINC000033278670 520611541 /nfs/dbraw/zinc/61/15/41/520611541.db2.gz WQMNVZJAAGWUFU-UHFFFAOYSA-N 0 0 445.950 7.160 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc21 ZINC000032986678 520611783 /nfs/dbraw/zinc/61/17/83/520611783.db2.gz KFRVAVCXMSQTGB-QGZVFWFLSA-N 0 0 430.935 6.445 50 0 IKAARN CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000012659117 520612042 /nfs/dbraw/zinc/61/20/42/520612042.db2.gz ADQXECKMHWJRTQ-XLVZBRSZSA-N 0 0 443.612 7.686 50 0 biogenic IKAARN CCOc1cc(-c2ccc(OC(=O)c3ccco3)c(OC)c2)cc(=O)c2c(C)oc(C)c21 ZINC000021782908 520612069 /nfs/dbraw/zinc/61/20/69/520612069.db2.gz ORCATAPXLVGFES-UHFFFAOYSA-N 0 0 434.444 5.296 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c21 ZINC000012411340 520612236 /nfs/dbraw/zinc/61/22/36/520612236.db2.gz IHVPCCUPYJRKHS-XLVZBRSZSA-N 0 0 427.544 6.973 50 0 biogenic IKAARN CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000012659531 520612399 /nfs/dbraw/zinc/61/23/99/520612399.db2.gz QBOPQAWGNMHVCI-ZZIIXHQDSA-N 0 0 445.584 7.078 50 0 biogenic IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc21 ZINC000032986677 520612485 /nfs/dbraw/zinc/61/24/85/520612485.db2.gz KFRVAVCXMSQTGB-KRWDZBQOSA-N 0 0 430.935 6.445 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc21 ZINC000032986429 520614183 /nfs/dbraw/zinc/61/41/83/520614183.db2.gz VWBXVEOHKYFCHS-UHFFFAOYSA-N 0 0 425.488 5.511 50 0 IKAARN CCOc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000012523043 520621031 /nfs/dbraw/zinc/62/10/31/520621031.db2.gz AGILCCJUCKEBEG-FMIVXFBMSA-N 0 0 446.591 6.137 50 0 IKAARN CCOC(=O)CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)CC)C2 ZINC000022345962 520626486 /nfs/dbraw/zinc/62/64/86/520626486.db2.gz BCTYSSUWBMYIOU-OAHLLOKOSA-N 0 0 437.602 5.138 50 0 IKAARN CCCCNC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035815726 520629460 /nfs/dbraw/zinc/62/94/60/520629460.db2.gz KLBKCOIARURWAJ-AREMUKBSSA-N 0 0 442.578 6.575 50 0 IKAARN CCOc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C ZINC000033348879 520630733 /nfs/dbraw/zinc/63/07/33/520630733.db2.gz UPSAGJOQQQFLQU-MFOYZWKCSA-N 0 0 435.307 5.277 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000035047394 520650659 /nfs/dbraw/zinc/65/06/59/520650659.db2.gz IFWQEPZBUQMECD-POAQFYNOSA-N 0 0 435.326 5.154 50 0 IKAARN CCOc1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(F)c2)ccc1OC(F)F ZINC000012739077 520670414 /nfs/dbraw/zinc/67/04/14/520670414.db2.gz XOTNLGFYJWEGOU-UHFFFAOYSA-N 0 0 444.409 5.330 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 ZINC000015838721 520722049 /nfs/dbraw/zinc/72/20/49/520722049.db2.gz FJIILBYSWYAPNC-UHFFFAOYSA-N 0 0 427.884 5.234 50 0 IKAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000012585758 520761427 /nfs/dbraw/zinc/76/14/27/520761427.db2.gz LSNPWDXSCGRYGE-HSZRJFAPSA-N 0 0 431.609 5.746 50 0 IKAARN CCOc1cc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2c2ccc(OC)cc2)ccc1O ZINC000020415265 520781782 /nfs/dbraw/zinc/78/17/82/520781782.db2.gz ODSBSDDRGNGKIR-XMMPIXPASA-N 0 0 428.488 5.041 50 0 IKAARN CCOc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OC ZINC000021788436 520788048 /nfs/dbraw/zinc/78/80/48/520788048.db2.gz CTSCYIDGUCOSBJ-OAQYLSRUSA-N 0 0 443.956 5.016 50 0 IKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000016606281 520790076 /nfs/dbraw/zinc/79/00/76/520790076.db2.gz RKZBOHIBGCUVEA-PJYWLYPCSA-N 0 0 448.349 5.738 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000002956437 520790618 /nfs/dbraw/zinc/79/06/18/520790618.db2.gz IJAAEBPVNRLUHP-AXLDUSBXSA-N 0 0 441.530 5.924 50 0 IKAARN CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccccc3Cl)n1)O[C@H](C)C2 ZINC000021837562 520793665 /nfs/dbraw/zinc/79/36/65/520793665.db2.gz AORWZVMQLCGRAJ-CYBMUJFWSA-N 0 0 428.941 5.367 50 0 IKAARN CCOc1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3onc(C)c31)O[C@@H](C)C2 ZINC000022320037 520795815 /nfs/dbraw/zinc/79/58/15/520795815.db2.gz IBWCNIONDJCWAD-AWEZNQCLSA-N 0 0 429.476 5.173 50 0 IKAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)c1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000020867952 520800152 /nfs/dbraw/zinc/80/01/52/520800152.db2.gz KAMSWOVOYUWRKF-MHZLTWQESA-N 0 0 431.532 5.480 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000012564450 520802854 /nfs/dbraw/zinc/80/28/54/520802854.db2.gz SDHHLYWETFXGJH-IBGZPJMESA-N 0 0 442.357 5.013 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000012564448 520804042 /nfs/dbraw/zinc/80/40/42/520804042.db2.gz SDHHLYWETFXGJH-LJQANCHMSA-N 0 0 442.357 5.013 50 0 IKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccc(C)c3)c2)cc1 ZINC000021782905 520806098 /nfs/dbraw/zinc/80/60/98/520806098.db2.gz PTEGWDQMZICGFX-UHFFFAOYSA-N 0 0 428.484 6.003 50 0 IKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc4c(c3)OCO4)c2)cc1 ZINC000012858882 520806689 /nfs/dbraw/zinc/80/66/89/520806689.db2.gz ZFHKKJWKQHHWCV-XAYXJRQQSA-N 0 0 443.499 6.085 50 0 biogenic IKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3C)c2)cc1 ZINC000012662750 520807296 /nfs/dbraw/zinc/80/72/96/520807296.db2.gz SNKJTVLLBCEZDC-XLVZBRSZSA-N 0 0 427.544 6.973 50 0 biogenic IKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cc(C)cc(C)c3)c2)cc1 ZINC000012662964 520807969 /nfs/dbraw/zinc/80/79/69/520807969.db2.gz NIIDGBXBQBXBAS-XLVZBRSZSA-N 0 0 427.544 6.973 50 0 biogenic IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)n2c(nc3ccccc32)N1 ZINC000012416686 520808070 /nfs/dbraw/zinc/80/80/70/520808070.db2.gz ARCRHHXTPANIHE-FQEVSTJZSA-N 0 0 438.409 5.576 50 0 IKAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 ZINC000012617794 520808179 /nfs/dbraw/zinc/80/81/79/520808179.db2.gz SZEABVCPVGDZES-MRXNPFEDSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccccc3)CC4=O)n2)cc1 ZINC000021365849 520810272 /nfs/dbraw/zinc/81/02/72/520810272.db2.gz MIFZKCUNQQMLKN-GOSISDBHSA-N 0 0 442.540 5.477 50 0 IKAARN CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000012140472 520811044 /nfs/dbraw/zinc/81/10/44/520811044.db2.gz DHTGLMWPJFDVJX-UHFFFAOYSA-N 0 0 434.348 5.580 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000012619179 520811339 /nfs/dbraw/zinc/81/13/39/520811339.db2.gz DVIPWRFCRIISGI-MRXNPFEDSA-N 0 0 444.240 5.279 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nnc(-c4ccc(Cl)cc4)n3C)cs2)cc1 ZINC000012902348 520819686 /nfs/dbraw/zinc/81/96/86/520819686.db2.gz VBRQVLALNUGABO-UHFFFAOYSA-N 0 0 442.997 5.950 50 0 IKAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000012536854 520832545 /nfs/dbraw/zinc/83/25/45/520832545.db2.gz XEWMSXAZSWFXIR-KRWDZBQOSA-N 0 0 449.580 5.617 50 0 IKAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000012546323 520837283 /nfs/dbraw/zinc/83/72/83/520837283.db2.gz QRZJQFWHDXEVQI-UHFFFAOYSA-N 0 0 445.588 6.152 50 0 IKAARN CCCCOc1ccc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 ZINC000033480945 520852394 /nfs/dbraw/zinc/85/23/94/520852394.db2.gz OTEQXOOVMXQBMF-SILNSSARSA-N 0 0 428.557 6.248 50 0 IKAARN CCCCOc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 ZINC000012876985 520861485 /nfs/dbraw/zinc/86/14/85/520861485.db2.gz UALYTPRSOUPNRT-UHFFFAOYSA-N 0 0 425.916 5.374 50 0 IKAARN CCCCOc1ccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000017270698 520870234 /nfs/dbraw/zinc/87/02/34/520870234.db2.gz LVUWWJHHQVKFHK-UHFFFAOYSA-N 0 0 428.985 5.923 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000035330636 520871652 /nfs/dbraw/zinc/87/16/52/520871652.db2.gz CJHLZZSAUPOCBE-UHFFFAOYSA-N 0 0 442.584 7.217 50 0 IKAARN CCN(CC)c1cc(-c2ccccc2)nc(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000036038611 520875876 /nfs/dbraw/zinc/87/58/76/520875876.db2.gz MLGDBTPJKZMNOA-UHFFFAOYSA-N 0 0 446.620 5.518 50 0 IKAARN CCOc1ccc(C(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1OCC ZINC000012680197 520891325 /nfs/dbraw/zinc/89/13/25/520891325.db2.gz JETYQRWADLHQRU-XMMPIXPASA-N 0 0 429.944 5.248 50 0 IKAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 ZINC000033428986 520892875 /nfs/dbraw/zinc/89/28/75/520892875.db2.gz FIGLBODDVBPGOD-FYYLOGMGSA-N 0 0 438.369 5.082 50 0 IKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000021784588 520895875 /nfs/dbraw/zinc/89/58/75/520895875.db2.gz HZSIKHDSUWZELU-IBGZPJMESA-N 0 0 435.549 5.128 50 0 IKAARN CCCCOc1ccc([C@H](C)NC(=O)CCN2N=C(c3ccc(CC)cc3)CCC2=O)cc1 ZINC000020733651 520897371 /nfs/dbraw/zinc/89/73/71/520897371.db2.gz GWHNPAHVICGCLF-FQEVSTJZSA-N 0 0 449.595 5.022 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012192353 520899188 /nfs/dbraw/zinc/89/91/88/520899188.db2.gz GNABHKPXYBDHEA-PQHLKRTFSA-N 0 0 448.566 7.261 50 0 IKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000021784593 520899402 /nfs/dbraw/zinc/89/94/02/520899402.db2.gz HZSIKHDSUWZELU-LJQANCHMSA-N 0 0 435.549 5.128 50 0 IKAARN CCN(CC)c1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(C)c1 ZINC000015773920 520917006 /nfs/dbraw/zinc/91/70/06/520917006.db2.gz FMYSOSVTOMPJAN-VWLOTQADSA-N 0 0 427.548 5.051 50 0 IKAARN CCN(CC)c1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2cc(OC)ccc2OC)c(C)c1 ZINC000021105799 520919496 /nfs/dbraw/zinc/91/94/96/520919496.db2.gz PBQCBRDZTCRYFW-RUZDIDTESA-N 0 0 446.551 5.025 50 0 IKAARN CCOc1ccc(C(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 ZINC000020348165 520922886 /nfs/dbraw/zinc/92/28/86/520922886.db2.gz UEKISVIZWZBIQO-UHFFFAOYSA-N 0 0 443.572 5.067 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn32)cc1 ZINC000012342106 520923240 /nfs/dbraw/zinc/92/32/40/520923240.db2.gz KVJQNUQXUNAYOZ-UHFFFAOYSA-N 0 0 447.922 5.365 50 0 IKAARN CCN(CC)c1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892815 520924214 /nfs/dbraw/zinc/92/42/14/520924214.db2.gz KBYSFPGSCYPKLK-JOCHJYFZSA-N 0 0 441.000 5.455 50 0 IKAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000033269636 520928380 /nfs/dbraw/zinc/92/83/80/520928380.db2.gz XJYHPADLTZEPCL-UHFFFAOYSA-N 0 0 437.547 5.856 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000248379483 520930261 /nfs/dbraw/zinc/93/02/61/520930261.db2.gz MYZOPMPZJVTFQF-UPVQGACJSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000012196587 520930752 /nfs/dbraw/zinc/93/07/52/520930752.db2.gz HAOLSZMHWDKLOT-JYFHCDHNSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000012196607 520930787 /nfs/dbraw/zinc/93/07/87/520930787.db2.gz GEVDRPVWKFXUFD-RPLLCQBOSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000021024585 520953856 /nfs/dbraw/zinc/95/38/56/520953856.db2.gz UBTUNFFOKKYBKJ-UHFFFAOYSA-N 0 0 440.971 5.236 50 0 IKAARN CCCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000020355359 520955286 /nfs/dbraw/zinc/95/52/86/520955286.db2.gz DOSLUOSUXILUNU-PXLXIMEGSA-N 0 0 440.634 5.734 50 0 IKAARN CCOc1ccc(CCNc2onc(-c3ccc(Cl)cc3)c2C(=O)OC)cc1OCC ZINC000015821693 520956255 /nfs/dbraw/zinc/95/62/55/520956255.db2.gz NFDZPENFZNJKHL-UHFFFAOYSA-N 0 0 444.915 5.234 50 0 IKAARN CCOc1ccc(CCNc2ncnc3scc(-c4ccc(OC)cc4)c32)cc1OCC ZINC000021049141 520956442 /nfs/dbraw/zinc/95/64/42/520956442.db2.gz BWXPZWXQAFIVCN-UHFFFAOYSA-N 0 0 449.576 5.819 50 0 IKAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017271126 520976581 /nfs/dbraw/zinc/97/65/81/520976581.db2.gz ACHMVQJBMHDDAJ-QGZVFWFLSA-N 0 0 447.988 5.099 50 0 IKAARN CCCCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 ZINC000016752863 520978708 /nfs/dbraw/zinc/97/87/08/520978708.db2.gz GFRRMVDTWUMPJL-SFHVURJKSA-N 0 0 449.557 5.287 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997649 520979943 /nfs/dbraw/zinc/97/99/43/520979943.db2.gz NUMYVHVMXMAGJO-QHCPKHFHSA-N 0 0 434.565 5.492 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000032997125 520980465 /nfs/dbraw/zinc/98/04/65/520980465.db2.gz IYDLSXUWESIZPO-NRFANRHFSA-N 0 0 440.956 5.528 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1C)N(C(C)=O)c1ccccc1-2 ZINC000032997150 520980559 /nfs/dbraw/zinc/98/05/59/520980559.db2.gz KBUILYRCGVYYJT-HSZRJFAPSA-N 0 0 434.565 5.492 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(C)=O)c1ccccc1-2 ZINC000032997132 520980874 /nfs/dbraw/zinc/98/08/74/520980874.db2.gz OFVKZNNKLVUWPP-OAQYLSRUSA-N 0 0 442.491 5.153 50 0 IKAARN CCC[C@H](C(=O)NCc1ccccn1)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037385674 520982255 /nfs/dbraw/zinc/98/22/55/520982255.db2.gz LRGGWUZGBPHMJB-XMMPIXPASA-N 0 0 444.554 5.436 50 0 IKAARN CCOc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000021656789 520985538 /nfs/dbraw/zinc/98/55/38/520985538.db2.gz SNZJZNAEDYDXQI-UHFFFAOYSA-N 0 0 431.561 5.302 50 0 IKAARN CCOc1ccc(CNC(=O)Nc2ccc3c(c2)N(CC)C(=O)c2ccccc2S3)cc1 ZINC000015671929 520990291 /nfs/dbraw/zinc/99/02/91/520990291.db2.gz MYXWDMYLJOPEMF-UHFFFAOYSA-N 0 0 447.560 5.538 50 0 IKAARN CCC[C@H](C)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022639899 520994892 /nfs/dbraw/zinc/99/48/92/520994892.db2.gz GGXDNPKWZSDNLP-PGRDOPGGSA-N 0 0 429.402 5.119 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(C)nc3c(-c4cccs4)cccc23)cc1OC ZINC000021705111 520995582 /nfs/dbraw/zinc/99/55/82/520995582.db2.gz WHADKNKHHJQAHP-UHFFFAOYSA-N 0 0 432.545 5.609 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCC(n2nc(C(=O)OCC)cc2-c2ccc(F)cc2)CC1 ZINC000022656646 521015709 /nfs/dbraw/zinc/01/57/09/521015709.db2.gz HLVQUFRKTUVZRP-GOSISDBHSA-N 0 0 443.563 5.246 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000034928307 521016524 /nfs/dbraw/zinc/01/65/24/521016524.db2.gz ZVYKNJWWCWCFGW-MRXNPFEDSA-N 0 0 442.547 5.320 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 ZINC000022668406 521017288 /nfs/dbraw/zinc/01/72/88/521017288.db2.gz YBZUIMQQNZUSAA-CJAUYULYSA-N 0 0 425.569 5.403 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000035924919 521019793 /nfs/dbraw/zinc/01/97/93/521019793.db2.gz MTJLIPFGPLOVJS-IQGLISFBSA-N 0 0 440.609 6.019 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925199 521020595 /nfs/dbraw/zinc/02/05/95/521020595.db2.gz NFJQYVDJHBURQH-DWXRJYCRSA-N 0 0 436.621 6.109 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2OCC)c1 ZINC000035925013 521022506 /nfs/dbraw/zinc/02/25/06/521022506.db2.gz IXBJTGVDDDXCCL-IQGLISFBSA-N 0 0 440.609 6.019 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1C(C)C ZINC000035927563 521022734 /nfs/dbraw/zinc/02/27/34/521022734.db2.gz SLCRYSJDINFKJM-BCHFMIIMSA-N 0 0 438.637 6.744 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)cc1F ZINC000035928234 521023455 /nfs/dbraw/zinc/02/34/55/521023455.db2.gz KBAJJVFMRZYNRH-IQMFZBJNSA-N 0 0 432.536 5.898 50 0 IKAARN CC1CCN(Cc2csc(NC(=O)c3ccc(SCc4cscn4)cc3)n2)CC1 ZINC000012753698 521025988 /nfs/dbraw/zinc/02/59/88/521025988.db2.gz ANJHABYPWKZWNS-UHFFFAOYSA-N 0 0 444.651 5.376 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035912123 521033525 /nfs/dbraw/zinc/03/35/25/521033525.db2.gz XDDUVEPZJYDFGM-XMMPIXPASA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2C)cc1 ZINC000035912113 521034254 /nfs/dbraw/zinc/03/42/54/521034254.db2.gz QDXMEFAMWRSBHC-RUZDIDTESA-N 0 0 432.545 5.425 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(C)(C)C)cc1 ZINC000022647613 521034621 /nfs/dbraw/zinc/03/46/21/521034621.db2.gz CHVQVIDCGJJKKA-GOSISDBHSA-N 0 0 427.589 5.293 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3ccccc3)c2)cc1 ZINC000035912131 521034752 /nfs/dbraw/zinc/03/47/52/521034752.db2.gz CVMTZVMECSSNJK-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000035912070 521035462 /nfs/dbraw/zinc/03/54/62/521035462.db2.gz HWLQHNLAHLXOFQ-SANMLTNESA-N 0 0 446.572 5.435 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(CC)cc3)cc2)cc1 ZINC000035912095 521037273 /nfs/dbraw/zinc/03/72/73/521037273.db2.gz KOKKDGGLAHXYOR-SANMLTNESA-N 0 0 446.572 5.679 50 0 IKAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035912078 521037514 /nfs/dbraw/zinc/03/75/14/521037514.db2.gz UQZKUGNHRLNNKM-DEOSSOPVSA-N 0 0 436.508 5.255 50 0 IKAARN CCOc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000015826580 521037650 /nfs/dbraw/zinc/03/76/50/521037650.db2.gz JAPULBUJMNKMIC-UHFFFAOYSA-N 0 0 442.924 5.074 50 0 IKAARN CCCC[C@@H](CC)C[Si](C[C@@H](CC)CCCC)(C[C@@H](CC)CCCC)c1ccccc1 ZINC000169818782 521038010 /nfs/dbraw/zinc/03/80/10/521038010.db2.gz PBEVPYBJVHYCLP-YTCPBCGMSA-N 0 0 444.864 9.992 50 0 IKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000012411862 521039869 /nfs/dbraw/zinc/03/98/69/521039869.db2.gz AYDHDEICWWFEHF-XMMPIXPASA-N 0 0 429.907 5.879 50 0 IKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3OCC)C2=O)cc1 ZINC000012311972 521041099 /nfs/dbraw/zinc/04/10/99/521041099.db2.gz KOULECWLOFZKDW-OQKWZONESA-N 0 0 428.488 5.124 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)c(C)c2)cc1 ZINC000020319200 521041389 /nfs/dbraw/zinc/04/13/89/521041389.db2.gz AWFDVHNWHUHKFG-NRFANRHFSA-N 0 0 438.325 5.322 50 0 IKAARN CC1CCN(c2ccc(NC(=O)CN[C@@H](c3cccs3)c3ccc(F)cc3)cc2)CC1 ZINC000012595320 521043076 /nfs/dbraw/zinc/04/30/76/521043076.db2.gz FNLHOCYKFXYOER-RUZDIDTESA-N 0 0 437.584 5.441 50 0 IKAARN CC1CCN(c2ccc(NS(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)cc3)cc2)CC1 ZINC000021033887 521044341 /nfs/dbraw/zinc/04/43/41/521044341.db2.gz BIDYUMGRJBQFBW-UHFFFAOYSA-N 0 0 437.565 5.256 50 0 IKAARN CC1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929725 521048664 /nfs/dbraw/zinc/04/86/64/521048664.db2.gz YYROEFTUHTWPAF-UHFFFAOYSA-N 0 0 436.922 5.094 50 0 IKAARN CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1 ZINC000021524710 521064607 /nfs/dbraw/zinc/06/46/07/521064607.db2.gz FXJKDZBVZZZCDR-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN CCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccccc4c32)cc1 ZINC000020996433 521076007 /nfs/dbraw/zinc/07/60/07/521076007.db2.gz MMPRZMOEZZQDHF-UHFFFAOYSA-N 0 0 436.515 5.597 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000033255295 521081581 /nfs/dbraw/zinc/08/15/81/521081581.db2.gz ZUDXJOIQWZLOAV-UHFFFAOYSA-N 0 0 426.904 5.200 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCC4)c3)C2)cc1 ZINC000033035076 521084381 /nfs/dbraw/zinc/08/43/81/521084381.db2.gz UZYRIWQHLTZHFN-OAQYLSRUSA-N 0 0 435.568 5.169 50 0 IKAARN CCOC(=O)[C@@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 ZINC000012139527 521086067 /nfs/dbraw/zinc/08/60/67/521086067.db2.gz VAEJNZPMIWJVFA-IBGZPJMESA-N 0 0 435.423 5.379 50 0 IKAARN CCC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000035944059 521089532 /nfs/dbraw/zinc/08/95/32/521089532.db2.gz VXICBCXYDRBXHO-LJQANCHMSA-N 0 0 447.554 5.644 50 0 IKAARN CCC(=O)N(CCOC)Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1cccc(C)c1 ZINC000035972433 521089760 /nfs/dbraw/zinc/08/97/60/521089760.db2.gz GHIJJLOSQJTSGR-UHFFFAOYSA-N 0 0 439.531 5.060 50 0 IKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000015724708 521090144 /nfs/dbraw/zinc/09/01/44/521090144.db2.gz KMHOFZMIHSGYKC-SANMLTNESA-N 0 0 425.532 6.055 50 0 IKAARN CCC(=O)N(Cc1ccco1)Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000035972531 521090492 /nfs/dbraw/zinc/09/04/92/521090492.db2.gz SVVZKGVIHKHOBW-UHFFFAOYSA-N 0 0 447.510 5.898 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000021892817 521091079 /nfs/dbraw/zinc/09/10/79/521091079.db2.gz DYDWNCSHKGWMBQ-HHHXNRCGSA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000021892814 521091124 /nfs/dbraw/zinc/09/11/24/521091124.db2.gz DYDWNCSHKGWMBQ-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021888862 521091468 /nfs/dbraw/zinc/09/14/68/521091468.db2.gz YHGMWJCPFRDZQL-SANMLTNESA-N 0 0 441.506 6.152 50 0 IKAARN CCC(=O)N(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000035976461 521091768 /nfs/dbraw/zinc/09/17/68/521091768.db2.gz BAILXCYRFZTWJI-UHFFFAOYSA-N 0 0 445.519 5.513 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc3nc(C)n(-c4ccc(C)cc4)c(=O)c3c2)cc1 ZINC000022498350 521100757 /nfs/dbraw/zinc/10/07/57/521100757.db2.gz FOTBNSPOMLCJPM-UHFFFAOYSA-N 0 0 428.492 5.045 50 0 IKAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2C(C)C)C1 ZINC000036017244 521109553 /nfs/dbraw/zinc/10/95/53/521109553.db2.gz VBSGEBBCVCYOPM-QGZVFWFLSA-N 0 0 445.991 5.188 50 0 IKAARN CCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@@H]3CCCC)cc2)cc1 ZINC000016676400 521114830 /nfs/dbraw/zinc/11/48/30/521114830.db2.gz KKKBEGWHBISOTA-JKURPRQGSA-N 0 0 446.635 6.807 50 0 IKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000021787024 521120419 /nfs/dbraw/zinc/12/04/19/521120419.db2.gz XNFALVRJRGWXBK-NRFANRHFSA-N 0 0 425.960 5.622 50 0 IKAARN CCC[C@H](NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)c1cccs1 ZINC000015734858 521123381 /nfs/dbraw/zinc/12/33/81/521123381.db2.gz WYZAZBLGIHZZOJ-KRWDZBQOSA-N 0 0 426.611 5.141 50 0 IKAARN CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)cc1 ZINC000021798207 521140726 /nfs/dbraw/zinc/14/07/26/521140726.db2.gz DSTTTXVALILESK-UHFFFAOYSA-N 0 0 436.515 6.238 50 0 IKAARN CCCC[C@H](CC)C(=O)N(CCC)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000035767722 521156478 /nfs/dbraw/zinc/15/64/78/521156478.db2.gz RCDLOVSICRXLCP-NRFANRHFSA-N 0 0 430.564 5.403 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000034928308 521157065 /nfs/dbraw/zinc/15/70/65/521157065.db2.gz ZVYKNJWWCWCFGW-INIZCTEOSA-N 0 0 442.547 5.320 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000022670541 521158626 /nfs/dbraw/zinc/15/86/26/521158626.db2.gz WWVWOMROUWDYJT-XDHUDOTRSA-N 0 0 429.988 6.048 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000022655068 521158654 /nfs/dbraw/zinc/15/86/54/521158654.db2.gz FFGIRJDLEGJCJH-KRWDZBQOSA-N 0 0 434.506 5.027 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1Cl ZINC000022673009 521159189 /nfs/dbraw/zinc/15/91/89/521159189.db2.gz ZZLHLURWXCROIV-BXKMTCNYSA-N 0 0 429.988 6.048 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000035928429 521161950 /nfs/dbraw/zinc/16/19/50/521161950.db2.gz VYZRWOYUFOWNJC-AVRWGWEMSA-N 0 0 439.625 5.686 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928503 521162590 /nfs/dbraw/zinc/16/25/90/521162590.db2.gz CKVYUZCREVIGJH-BVZFJXPGSA-N 0 0 439.625 5.686 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925200 521162982 /nfs/dbraw/zinc/16/29/82/521162982.db2.gz NFJQYVDJHBURQH-QYBDOPJKSA-N 0 0 436.621 6.109 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925198 521163253 /nfs/dbraw/zinc/16/32/53/521163253.db2.gz NFJQYVDJHBURQH-HFJWLAOPSA-N 0 0 436.621 6.109 50 0 IKAARN CCCC[C@H](CC)C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)cc1F ZINC000035928235 521164897 /nfs/dbraw/zinc/16/48/97/521164897.db2.gz KBAJJVFMRZYNRH-NPMXOYFQSA-N 0 0 432.536 5.898 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(C)cc1 ZINC000032997334 521167337 /nfs/dbraw/zinc/16/73/37/521167337.db2.gz UGFCZXBQEVFNKF-QHCPKHFHSA-N 0 0 434.565 5.429 50 0 IKAARN CCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000035807497 521198547 /nfs/dbraw/zinc/19/85/47/521198547.db2.gz SIUBBJVDKRRFEA-UHFFFAOYSA-N 0 0 432.446 5.336 50 0 IKAARN CCC(=O)Nc1ccc(CC)cc1-c1nc2ccccc2n(CCc2ccccc2)c1=O ZINC000020899838 521203960 /nfs/dbraw/zinc/20/39/60/521203960.db2.gz INUVQKBIUSMJTP-UHFFFAOYSA-N 0 0 425.532 5.217 50 0 IKAARN CCOc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530678 521225999 /nfs/dbraw/zinc/22/59/99/521225999.db2.gz GGDKTQBGNFUPOI-HSZRJFAPSA-N 0 0 444.531 5.128 50 0 IKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Br)c3)cc2OC)s1 ZINC000033008442 521229803 /nfs/dbraw/zinc/22/98/03/521229803.db2.gz UCEVQKZYVTXSBS-UHFFFAOYSA-N 0 0 449.330 5.060 50 0 IKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC ZINC000021157845 521240433 /nfs/dbraw/zinc/24/04/33/521240433.db2.gz UQDKUHSJWIRUJT-KRWDZBQOSA-N 0 0 427.953 6.340 50 0 IKAARN CCC(=O)c1ccc(OCC(=O)N(c2nc(-c3ccccc3)ns2)c2ccccc2)cc1 ZINC000012734952 521245534 /nfs/dbraw/zinc/24/55/34/521245534.db2.gz ZIBMXAJWPOVMLW-UHFFFAOYSA-N 0 0 443.528 5.542 50 0 IKAARN CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000012528919 521246477 /nfs/dbraw/zinc/24/64/77/521246477.db2.gz POQMNLJGLXZCBQ-VWLOTQADSA-N 0 0 442.515 5.045 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000015822759 521248272 /nfs/dbraw/zinc/24/82/72/521248272.db2.gz PIMFBURSSPECPL-RUZDIDTESA-N 0 0 430.935 6.008 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012124321 521249215 /nfs/dbraw/zinc/24/92/15/521249215.db2.gz JXASTVOPELZWBD-RSXGOPAZSA-N 0 0 430.504 5.345 50 0 IKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021889273 521250941 /nfs/dbraw/zinc/25/09/41/521250941.db2.gz JIYCMYXFCZLQAG-RUZDIDTESA-N 0 0 427.504 5.284 50 0 IKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(CCc2ccc(Cl)cc2Cl)CO1 ZINC000020610330 521259996 /nfs/dbraw/zinc/25/99/96/521259996.db2.gz HTNNZQAQIGYPPT-UHFFFAOYSA-N 0 0 432.347 5.837 50 0 biogenic IKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)s2)c1C ZINC000020893464 521260053 /nfs/dbraw/zinc/26/00/53/521260053.db2.gz MUELHNGWJVATRN-UHFFFAOYSA-N 0 0 436.503 5.868 50 0 IKAARN CCOc1ccc([C@H](CNC(=O)c2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000021789260 521262404 /nfs/dbraw/zinc/26/24/04/521262404.db2.gz MBGPPPJDLCGURR-QFIPXVFZSA-N 0 0 428.532 5.446 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)cc1 ZINC000035910116 521271644 /nfs/dbraw/zinc/27/16/44/521271644.db2.gz XGLMAGXARLHXTP-SANMLTNESA-N 0 0 448.563 6.199 50 0 IKAARN CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195740 521272773 /nfs/dbraw/zinc/27/27/73/521272773.db2.gz UJYHWDBTVWNJPQ-SHQCIBLASA-N 0 0 444.531 5.735 50 0 IKAARN CCCCc1ccc(NC=C2c3ccccc3C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000018006660 521273250 /nfs/dbraw/zinc/27/32/50/521273250.db2.gz SRZMCIZAKQWCGJ-PTGBLXJZSA-N 0 0 426.516 5.678 50 0 IKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(NC(C)=O)s2)cc1 ZINC000012712519 521274836 /nfs/dbraw/zinc/27/48/36/521274836.db2.gz DLNXCOSYMBRHNT-SANMLTNESA-N 0 0 445.588 5.734 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021889142 521274860 /nfs/dbraw/zinc/27/48/60/521274860.db2.gz YIWDXYXLORUIPZ-MHZLTWQESA-N 0 0 437.543 6.322 50 0 IKAARN CCCCc1ccc(N2C(=O)c3ccccc3N[C@@]23c2ccccc2N(CC)C3=O)cc1 ZINC000012410929 521275301 /nfs/dbraw/zinc/27/53/01/521275301.db2.gz VPWRRIXHADBIEQ-MHZLTWQESA-N 0 0 425.532 5.321 50 0 IKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021889217 521276245 /nfs/dbraw/zinc/27/62/45/521276245.db2.gz LEUQVAOYIJAISA-MHZLTWQESA-N 0 0 437.543 5.691 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398598 521277452 /nfs/dbraw/zinc/27/74/52/521277452.db2.gz HVEZMNKMYXTABU-UHFFFAOYSA-N 0 0 432.543 5.480 50 0 IKAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1 ZINC000035398238 521281883 /nfs/dbraw/zinc/28/18/83/521281883.db2.gz XSIYAAZQZOYVSL-HSZRJFAPSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)cc1 ZINC000035672011 521282964 /nfs/dbraw/zinc/28/29/64/521282964.db2.gz LDCGRDLSZVJYGX-UHFFFAOYSA-N 0 0 431.561 5.410 50 0 IKAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1 ZINC000035398239 521283418 /nfs/dbraw/zinc/28/34/18/521283418.db2.gz XSIYAAZQZOYVSL-QHCPKHFHSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)cc1 ZINC000035672046 521284748 /nfs/dbraw/zinc/28/47/48/521284748.db2.gz GDBONGHDXLBZEV-UHFFFAOYSA-N 0 0 445.588 5.604 50 0 IKAARN CCCCc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000012410946 521286005 /nfs/dbraw/zinc/28/60/05/521286005.db2.gz ITCKZAHQEDFEIX-DEOSSOPVSA-N 0 0 436.393 7.218 50 0 IKAARN CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)C1 ZINC000035872127 521289014 /nfs/dbraw/zinc/28/90/14/521289014.db2.gz DNGAOYVGWYPHAB-UPVQGACJSA-N 0 0 446.591 5.293 50 0 IKAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(C)cc4Cl)CC3)sc2c1 ZINC000020383385 521301548 /nfs/dbraw/zinc/30/15/48/521301548.db2.gz ILOALKFDEIZVSQ-UHFFFAOYSA-N 0 0 429.973 5.512 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)sc2c1 ZINC000020383473 521302473 /nfs/dbraw/zinc/30/24/73/521302473.db2.gz OAPDSAHCFJJBSM-AWEZNQCLSA-N 0 0 449.498 5.569 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3csc(-c4cccc(OC)c4OC)n3)sc2c1 ZINC000012779757 521305331 /nfs/dbraw/zinc/30/53/31/521305331.db2.gz GALCJDNRCGAQSR-UHFFFAOYSA-N 0 0 441.534 5.088 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccccc3)c2c1 ZINC000020446928 521307029 /nfs/dbraw/zinc/30/70/29/521307029.db2.gz JMRJNVHTANNUJQ-UHFFFAOYSA-N 0 0 449.963 6.080 50 0 IKAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCCC4)CC2)n1)CCCC3 ZINC000035864964 521313239 /nfs/dbraw/zinc/31/32/39/521313239.db2.gz KIFRKGBFSCMYRK-UHFFFAOYSA-N 0 0 440.657 5.142 50 0 IKAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035866386 521313519 /nfs/dbraw/zinc/31/35/19/521313519.db2.gz CVXVQCDFGKSJIB-QGZVFWFLSA-N 0 0 442.673 5.244 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000002984869 521322043 /nfs/dbraw/zinc/32/20/43/521322043.db2.gz IJFQNDKNCBJOLM-UHFFFAOYSA-N 0 0 445.544 5.637 50 0 IKAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000012820849 521323137 /nfs/dbraw/zinc/32/31/37/521323137.db2.gz FROLYWPDKAWVNK-UHFFFAOYSA-N 0 0 430.570 5.554 50 0 IKAARN CCCc1c(C(=O)Nc2cc(-c3onc4c3CCCC4)ccc2C)cnn1-c1ccccc1 ZINC000023461973 521332645 /nfs/dbraw/zinc/33/26/45/521332645.db2.gz RDQYYXSUCDYJEL-UHFFFAOYSA-N 0 0 440.547 5.919 50 0 IKAARN CCCCc1noc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 ZINC000012645383 521341002 /nfs/dbraw/zinc/34/10/02/521341002.db2.gz XVUGNKVIAYUBLW-UHFFFAOYSA-N 0 0 434.569 5.471 50 0 IKAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](c3cccs3)c3ccccc3)ccc12 ZINC000018536892 521347623 /nfs/dbraw/zinc/34/76/23/521347623.db2.gz QPMGLLLGTJYECR-RUZDIDTESA-N 0 0 433.529 5.092 50 0 IKAARN CCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(Cl)nc1 ZINC000012390301 521359548 /nfs/dbraw/zinc/35/95/48/521359548.db2.gz OHQRGQBSJNJIAW-UHFFFAOYSA-N 0 0 445.972 5.039 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccccc2OCC)C2CCCCC2)c1C ZINC000035447892 521366842 /nfs/dbraw/zinc/36/68/42/521366842.db2.gz JHELBZUDIXPCMK-UHFFFAOYSA-N 0 0 441.572 5.574 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000015945754 521367103 /nfs/dbraw/zinc/36/71/03/521367103.db2.gz VORJTHCALATLOZ-JEOXALJRSA-N 0 0 432.973 6.100 50 0 IKAARN CCN(Cc1ccccc1)C(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 ZINC000020514744 521368149 /nfs/dbraw/zinc/36/81/49/521368149.db2.gz LMLQKAPXUPBSIZ-MHZLTWQESA-N 0 0 446.366 5.012 50 0 IKAARN CCC(C)(C)c1ccc(OCCCCNC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C(C)(C)CC)c1 ZINC000020562884 521370711 /nfs/dbraw/zinc/37/07/11/521370711.db2.gz DDYQKMQXNMCKSX-RPBOFIJWSA-N 0 0 449.679 7.141 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000012565880 521372701 /nfs/dbraw/zinc/37/27/01/521372701.db2.gz VONCVKHMISCWGP-QHCPKHFHSA-N 0 0 448.588 5.758 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1cc(C)ccc1OC ZINC000012621175 521373208 /nfs/dbraw/zinc/37/32/08/521373208.db2.gz BOIAFZSSQVRKBA-UHFFFAOYSA-N 0 0 442.512 5.099 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1C ZINC000020993965 521379838 /nfs/dbraw/zinc/37/98/38/521379838.db2.gz ZUJBPUGVMRPIIQ-CYBMUJFWSA-N 0 0 447.607 5.148 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1C ZINC000020993969 521382727 /nfs/dbraw/zinc/38/27/27/521382727.db2.gz ZUJBPUGVMRPIIQ-ZDUSSCGKSA-N 0 0 447.607 5.148 50 0 IKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000033122193 521385876 /nfs/dbraw/zinc/38/58/76/521385876.db2.gz JQPQGGQUYMORAX-UHFFFAOYSA-N 0 0 438.944 5.525 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1cccc2ccccc21 ZINC000017102495 521386709 /nfs/dbraw/zinc/38/67/09/521386709.db2.gz DDTQUBSESDWJGE-UHFFFAOYSA-N 0 0 438.549 5.121 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1 ZINC000012274581 521389126 /nfs/dbraw/zinc/38/91/26/521389126.db2.gz GHJMYKXGRIGEGL-UHFFFAOYSA-N 0 0 448.338 5.232 50 0 IKAARN CCOC(=O)c1c(NC(=O)C[C@H](C)CC(C)(C)C)sc2c1CC[C@H](c1ccccc1)C2 ZINC000022675343 521408067 /nfs/dbraw/zinc/40/80/67/521408067.db2.gz VNRNJXCNDAVOER-HKUYNNGSSA-N 0 0 441.637 6.598 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc2c1CCN(Cc1ccccc1)C2 ZINC000021264294 521411153 /nfs/dbraw/zinc/41/11/53/521411153.db2.gz AVWPQYWWJBYUNJ-UHFFFAOYSA-N 0 0 448.588 5.352 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc3ccccc3n1)CCCC2 ZINC000012524309 521414518 /nfs/dbraw/zinc/41/45/18/521414518.db2.gz WMXQCHSNYWCLLJ-UHFFFAOYSA-N 0 0 426.563 5.083 50 0 IKAARN CCCc1ccc([C@@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c2cccs2)cc1 ZINC000012883483 521417168 /nfs/dbraw/zinc/41/71/68/521417168.db2.gz WYNTYPRVEMVPSK-ISKFKSNPSA-N 0 0 448.588 5.338 50 0 IKAARN CCCc1ccc([C@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cccs2)cc1 ZINC000012883472 521418177 /nfs/dbraw/zinc/41/81/77/521418177.db2.gz WYNTYPRVEMVPSK-UPVQGACJSA-N 0 0 448.588 5.338 50 0 IKAARN CCOc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)c1 ZINC000021918741 521418045 /nfs/dbraw/zinc/41/80/45/521418045.db2.gz IHXZLEFWRASZJI-XMMPIXPASA-N 0 0 449.620 5.839 50 0 IKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(N(C)C)c2)c1 ZINC000021715704 521419447 /nfs/dbraw/zinc/41/94/47/521419447.db2.gz QTMNMKXZVXLMGF-HHHXNRCGSA-N 0 0 439.559 5.421 50 0 IKAARN CCOC(=O)c1c2ccc(C)c(OCc3ccc(F)cc3Cl)c2sc1NC(C)=O ZINC000033113616 521421018 /nfs/dbraw/zinc/42/10/18/521421018.db2.gz WYYXEPOSEKGALT-UHFFFAOYSA-N 0 0 435.904 5.716 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N[C@@H](C)C(C)C)cc2)n1 ZINC000034899310 521423481 /nfs/dbraw/zinc/42/34/81/521423481.db2.gz KVDUYBZCYPQWPQ-SFHVURJKSA-N 0 0 433.552 5.053 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC000023336316 521423961 /nfs/dbraw/zinc/42/39/61/521423961.db2.gz MANSEFUUUOFWEQ-UHFFFAOYSA-N 0 0 445.563 5.075 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N2c3ccccc3C[C@H]2C)c1C ZINC000020761592 521424512 /nfs/dbraw/zinc/42/45/12/521424512.db2.gz JMJXUJIWLHTCPH-QGZVFWFLSA-N 0 0 434.511 5.147 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccc(C(C)=O)c2)c1C ZINC000020761154 521424920 /nfs/dbraw/zinc/42/49/20/521424920.db2.gz VWIOMZYBZKBLCB-UHFFFAOYSA-N 0 0 436.483 5.011 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2ccc(F)cc2)n1 ZINC000023461108 521425079 /nfs/dbraw/zinc/42/50/79/521425079.db2.gz VBZOVXQQIDTMJO-UHFFFAOYSA-N 0 0 429.451 5.107 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N2c3ccccc3C[C@@H]2C)c1C ZINC000020761587 521425683 /nfs/dbraw/zinc/42/56/83/521425683.db2.gz JMJXUJIWLHTCPH-KRWDZBQOSA-N 0 0 434.511 5.147 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000021785289 521427738 /nfs/dbraw/zinc/42/77/38/521427738.db2.gz WHDLSUWGWXZWHR-UHFFFAOYSA-N 0 0 448.569 5.897 50 0 IKAARN CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)N3CCCCCCC3)cc2)n1 ZINC000022652418 521432389 /nfs/dbraw/zinc/43/23/89/521432389.db2.gz PUKVYIUIQADZGA-UHFFFAOYSA-N 0 0 425.573 5.044 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000034138832 521432512 /nfs/dbraw/zinc/43/25/12/521432512.db2.gz JJSWJLJFJMRIFH-RLWLMLJZSA-N 0 0 448.494 5.484 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000034797001 521432607 /nfs/dbraw/zinc/43/26/07/521432607.db2.gz UKILKDCCUNVAOV-VWLOTQADSA-N 0 0 434.536 5.809 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000035927437 521432644 /nfs/dbraw/zinc/43/26/44/521432644.db2.gz WDFWSBXUGGGCMJ-MHZLTWQESA-N 0 0 444.600 5.989 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 ZINC000012195694 521432655 /nfs/dbraw/zinc/43/26/55/521432655.db2.gz WUCNIUYUQHBRSR-RCZVLFRGSA-N 0 0 436.458 5.614 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000012196108 521432782 /nfs/dbraw/zinc/43/27/82/521432782.db2.gz DTFVQLHCRPOFPV-RCZVLFRGSA-N 0 0 446.478 5.253 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000020738430 521432821 /nfs/dbraw/zinc/43/28/21/521432821.db2.gz JJSWJLJFJMRIFH-HFZDXXHNSA-N 0 0 448.494 5.484 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000012196103 521432833 /nfs/dbraw/zinc/43/28/33/521432833.db2.gz DTFVQLHCRPOFPV-WIOPSUGQSA-N 0 0 446.478 5.253 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2F)c1 ZINC000035927448 521433325 /nfs/dbraw/zinc/43/33/25/521433325.db2.gz LHTOQAXMSJXRTP-RUZDIDTESA-N 0 0 434.536 5.809 50 0 IKAARN CCOc1cccc2c1cc(C(=O)NCc1ccc(F)cc1)n2Cc1ccccc1Cl ZINC000035928309 521434537 /nfs/dbraw/zinc/43/45/37/521434537.db2.gz DXWGGXWEGVMTJG-UHFFFAOYSA-N 0 0 436.914 5.811 50 0 IKAARN CCOc1ccccc1C(=O)Nc1c(C)nc(Nc2ccccc2)nc1Nc1ccccc1 ZINC000021777137 521461153 /nfs/dbraw/zinc/46/11/53/521461153.db2.gz AJYMNCMVTDKYPM-UHFFFAOYSA-N 0 0 439.519 5.923 50 0 IKAARN CCOc1ccccc1C1=N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000012619127 521466060 /nfs/dbraw/zinc/46/60/60/521466060.db2.gz ZNGQJJLTFDVURV-AQTBWJFISA-N 0 0 438.277 5.452 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@@H](C)CC ZINC000035945501 521483765 /nfs/dbraw/zinc/48/37/65/521483765.db2.gz JKYAAAVUARSZRR-SFHVURJKSA-N 0 0 441.591 5.707 50 0 IKAARN CCN(c1ccc(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1)C(C)C ZINC000012644464 521489570 /nfs/dbraw/zinc/48/95/70/521489570.db2.gz YNADEXQJWVUXRY-UHFFFAOYSA-N 0 0 444.004 5.195 50 0 IKAARN CCN(c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)ncc1C(=O)N1CCCCC1 ZINC000035992383 521494994 /nfs/dbraw/zinc/49/49/94/521494994.db2.gz HBYXTWJTQJVBFF-UHFFFAOYSA-N 0 0 430.552 5.245 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1 ZINC000012138910 521498113 /nfs/dbraw/zinc/49/81/13/521498113.db2.gz QAEPCNVBCUTXFN-UHFFFAOYSA-N 0 0 443.528 5.204 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916079 521500274 /nfs/dbraw/zinc/50/02/74/521500274.db2.gz ZKRVWONJGGJBGQ-UHFFFAOYSA-N 0 0 443.547 5.390 50 0 IKAARN CCOc1ccccc1CNC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000021923220 521502155 /nfs/dbraw/zinc/50/21/55/521502155.db2.gz WBZCARKORXHNNV-UHFFFAOYSA-N 0 0 448.526 5.392 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 ZINC000020895025 521502365 /nfs/dbraw/zinc/50/23/65/521502365.db2.gz OZXUQPVCDMIUJP-UHFFFAOYSA-N 0 0 441.622 6.019 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 ZINC000020894891 521503147 /nfs/dbraw/zinc/50/31/47/521503147.db2.gz DUIYYOQARAJUMO-UHFFFAOYSA-N 0 0 427.595 5.710 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc32)cc1 ZINC000015880465 521512042 /nfs/dbraw/zinc/51/20/42/521512042.db2.gz KCVFZSJAXCLRTM-UHFFFAOYSA-N 0 0 429.472 5.749 50 0 IKAARN CCOc1ccccc1N(CC)C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12 ZINC000020904528 521512823 /nfs/dbraw/zinc/51/28/23/521512823.db2.gz DYHSGBRVZNDJFY-UHFFFAOYSA-N 0 0 442.515 5.065 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2OC)c1 ZINC000035925059 521514360 /nfs/dbraw/zinc/51/43/60/521514360.db2.gz ADPWIJMKRPWJES-VWLOTQADSA-N 0 0 448.544 5.125 50 0 IKAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000035924924 521514792 /nfs/dbraw/zinc/51/47/92/521514792.db2.gz JOOPNDRMZRWHOY-AREMUKBSSA-N 0 0 446.572 5.435 50 0 IKAARN CCCN(C)c1cc(CC)nc(SCc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1 ZINC000036038549 521516120 /nfs/dbraw/zinc/51/61/20/521516120.db2.gz PDIZETLYHFOATK-UHFFFAOYSA-N 0 0 448.636 5.450 50 0 IKAARN CCCN(C)c1nc(SCc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)nc(C)c1C ZINC000036029252 521520221 /nfs/dbraw/zinc/52/02/21/521520221.db2.gz MVFVQPJTMLMEOC-FQEVSTJZSA-N 0 0 448.636 5.723 50 0 IKAARN CCCN(C)c1nc(SCc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc(C)c1C ZINC000036062937 521520540 /nfs/dbraw/zinc/52/05/40/521520540.db2.gz NTBBHYJCHUWWGZ-FQEVSTJZSA-N 0 0 448.636 5.723 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888856 521541030 /nfs/dbraw/zinc/54/10/30/521541030.db2.gz SVQBESQZEQWZSW-SANMLTNESA-N 0 0 441.506 6.152 50 0 IKAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCCC4)CC2)n1)CCCCC3 ZINC000035892534 521543383 /nfs/dbraw/zinc/54/33/83/521543383.db2.gz YWZWFDYPVRYLNW-UHFFFAOYSA-N 0 0 440.657 5.142 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2 ZINC000002947067 521549317 /nfs/dbraw/zinc/54/93/17/521549317.db2.gz MCMZJHIYCJZQAM-UHFFFAOYSA-N 0 0 434.561 5.839 50 0 IKAARN CCCN(CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000012914674 521550907 /nfs/dbraw/zinc/55/09/07/521550907.db2.gz SMBXTYCYDITXRG-UHFFFAOYSA-N 0 0 446.507 5.281 50 0 IKAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC(F)F)cc1 ZINC000018004204 521551745 /nfs/dbraw/zinc/55/17/45/521551745.db2.gz MHYRWBWNSDOBOK-UHFFFAOYSA-N 0 0 431.266 5.086 50 0 IKAARN CCCN(CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)c1ccc2ccccc2c1 ZINC000035450464 521554747 /nfs/dbraw/zinc/55/47/47/521554747.db2.gz CKPOWNMLLBEENC-UHFFFAOYSA-N 0 0 429.545 5.454 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)s1 ZINC000012700323 521554992 /nfs/dbraw/zinc/55/49/92/521554992.db2.gz LGEKGBXKSFOYBW-IBGZPJMESA-N 0 0 440.594 5.136 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1NCc1cc(F)cc(F)c1 ZINC000023432897 521568920 /nfs/dbraw/zinc/56/89/20/521568920.db2.gz JTZHRPYHFBDNDC-UHFFFAOYSA-N 0 0 437.368 5.229 50 0 IKAARN CCCc1noc(CSc2nnc(-c3cccc(C)c3)n2-c2ccc(OCC)cc2)n1 ZINC000012610316 521589094 /nfs/dbraw/zinc/58/90/94/521589094.db2.gz MCJZOIYWMZPBJJ-UHFFFAOYSA-N 0 0 435.553 5.269 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)n1 ZINC000012522983 521592915 /nfs/dbraw/zinc/59/29/15/521592915.db2.gz UFLACYYFTSAXSK-CQSZACIVSA-N 0 0 440.960 5.480 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 ZINC000012528066 521593084 /nfs/dbraw/zinc/59/30/84/521593084.db2.gz FKUFYGKZRZDOMR-HOTGVXAUSA-N 0 0 444.580 5.142 50 0 IKAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc3ncsc3c2)nc1C ZINC000012875911 521610487 /nfs/dbraw/zinc/61/04/87/521610487.db2.gz SWRBURLGLPNINY-UHFFFAOYSA-N 0 0 437.546 5.085 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1C ZINC000012584036 521614159 /nfs/dbraw/zinc/61/41/59/521614159.db2.gz ZQVBHSGFARUDFC-UHFFFAOYSA-N 0 0 446.528 5.709 50 0 IKAARN CCCN(CC1CC1)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 ZINC000023436070 521623544 /nfs/dbraw/zinc/62/35/44/521623544.db2.gz IJGJFUWBFKLNLA-UHFFFAOYSA-N 0 0 445.563 5.287 50 0 IKAARN CCC(CC)c1nn2c(nc(CSc3ccccc3NC(=O)C(C)(C)C)cc2=O)s1 ZINC000020583027 521635180 /nfs/dbraw/zinc/63/51/80/521635180.db2.gz GQXZBKUJEMAAMA-UHFFFAOYSA-N 0 0 444.626 5.332 50 0 IKAARN CCCn1cc(C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)c2ccccc21 ZINC000023324593 521650285 /nfs/dbraw/zinc/65/02/85/521650285.db2.gz OGHFXXQARGZLIE-UHFFFAOYSA-N 0 0 432.461 6.229 50 0 IKAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccccc3Cl)c2s1 ZINC000035533953 521650810 /nfs/dbraw/zinc/65/08/10/521650810.db2.gz WBBVDDADWMUJCG-UHFFFAOYSA-N 0 0 436.006 5.097 50 0 IKAARN CCCn1cnc2cc(-c3noc(-c4ccc(C)c(NC(=O)c5ccco5)c4)n3)ccc21 ZINC000035453553 521663373 /nfs/dbraw/zinc/66/33/73/521663373.db2.gz CJZCLUMMZGOYOT-UHFFFAOYSA-N 0 0 427.464 5.317 50 0 IKAARN CCCN(C[C@@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000035835860 521674356 /nfs/dbraw/zinc/67/43/56/521674356.db2.gz DFKNZPPQFUAPBM-VWLOTQADSA-N 0 0 442.559 5.259 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)C1CCC1 ZINC000035980370 521678263 /nfs/dbraw/zinc/67/82/63/521678263.db2.gz DONHVQJQDHAJCA-UHFFFAOYSA-N 0 0 437.971 6.072 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(=O)c1cccs1 ZINC000035980802 521678561 /nfs/dbraw/zinc/67/85/61/521678561.db2.gz WYCZQOVBDSZPOV-UHFFFAOYSA-N 0 0 449.551 6.132 50 0 IKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)c1cccs1 ZINC000035980743 521678706 /nfs/dbraw/zinc/67/87/06/521678706.db2.gz NIIRNNLKQBEYIA-UHFFFAOYSA-N 0 0 445.588 6.302 50 0 IKAARN CCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccs1 ZINC000035975280 521678961 /nfs/dbraw/zinc/67/89/61/521678961.db2.gz KUCNEPSQFWLZTK-UHFFFAOYSA-N 0 0 436.503 5.071 50 0 IKAARN CCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(F)cc1 ZINC000035975273 521679192 /nfs/dbraw/zinc/67/91/92/521679192.db2.gz NUYUAVBUMRRALS-UHFFFAOYSA-N 0 0 448.464 5.149 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)C1CCC1 ZINC000035980164 521679337 /nfs/dbraw/zinc/67/93/37/521679337.db2.gz ISWWPHWGXUMQME-UHFFFAOYSA-N 0 0 437.971 6.165 50 0 IKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)C1CCCC1 ZINC000035972819 521679362 /nfs/dbraw/zinc/67/93/62/521679362.db2.gz YASRMKIWJLBHPG-UHFFFAOYSA-N 0 0 447.579 5.910 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035943852 521681156 /nfs/dbraw/zinc/68/11/56/521681156.db2.gz MFPJKYSXEKKOTM-UHFFFAOYSA-N 0 0 442.003 5.587 50 0 IKAARN CCCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000035944372 521681161 /nfs/dbraw/zinc/68/11/61/521681161.db2.gz PIPCMLYZBOCRRY-RUZDIDTESA-N 0 0 449.639 5.814 50 0 IKAARN CCCN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C(CC)CC ZINC000035944670 521681444 /nfs/dbraw/zinc/68/14/44/521681444.db2.gz YBSXFAAIAUUJDB-UHFFFAOYSA-N 0 0 444.019 5.833 50 0 IKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1 ZINC000017316731 521691668 /nfs/dbraw/zinc/69/16/68/521691668.db2.gz KRXKHQRCJGHWSJ-UHFFFAOYSA-N 0 0 447.390 5.224 50 0 IKAARN CCN1CCN([C@H](c2cccs2)c2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000022917861 521695221 /nfs/dbraw/zinc/69/52/21/521695221.db2.gz JYAOTWZPMGUUJO-JOCHJYFZSA-N 0 0 439.650 5.406 50 0 IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1Cl)CC2 ZINC000021100939 521730424 /nfs/dbraw/zinc/73/04/24/521730424.db2.gz QEXCYHCBOFJTEN-UHFFFAOYSA-N 0 0 434.971 5.802 50 0 biogenic IKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cc(C)ccc1C)CC2 ZINC000021100976 521730474 /nfs/dbraw/zinc/73/04/74/521730474.db2.gz HNNLRVBUHDMQPD-UHFFFAOYSA-N 0 0 428.580 5.766 50 0 biogenic IKAARN CCN1c2cc(NC(=O)N[C@@H]3CCCc4ccccc43)ccc2Sc2ccccc2C1=O ZINC000021525839 521730505 /nfs/dbraw/zinc/73/05/05/521730505.db2.gz FOYWSGSTYYATAX-OAQYLSRUSA-N 0 0 443.572 6.017 50 0 IKAARN CCNC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000035978831 521739496 /nfs/dbraw/zinc/73/94/96/521739496.db2.gz AGYKXNUGQKAZER-UHFFFAOYSA-N 0 0 430.508 5.204 50 0 IKAARN CCNC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000035978690 521739497 /nfs/dbraw/zinc/73/94/97/521739497.db2.gz VZGYHBWNGHXKRY-UHFFFAOYSA-N 0 0 448.498 5.343 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)CC1CC1 ZINC000035978133 521739554 /nfs/dbraw/zinc/73/95/54/521739554.db2.gz OKJOCZIESMLCTA-UHFFFAOYSA-N 0 0 438.959 5.568 50 0 IKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000035980314 521739556 /nfs/dbraw/zinc/73/95/56/521739556.db2.gz APSMUNACROVISO-UHFFFAOYSA-N 0 0 426.948 5.566 50 0 IKAARN CCc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)c1 ZINC000021352335 521749265 /nfs/dbraw/zinc/74/92/65/521749265.db2.gz BFPBWQPLRBJJLW-MRXNPFEDSA-N 0 0 437.609 5.269 50 0 IKAARN CCc1cccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)c1 ZINC000035534127 521754811 /nfs/dbraw/zinc/75/48/11/521754811.db2.gz CAJGFJVQHRYBHJ-UHFFFAOYSA-N 0 0 449.605 5.016 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000033389947 521762725 /nfs/dbraw/zinc/76/27/25/521762725.db2.gz FRPINBZZMRIMFW-WASHYIJTSA-N 0 0 431.985 5.991 50 0 IKAARN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCC2 ZINC000016916844 521779332 /nfs/dbraw/zinc/77/93/32/521779332.db2.gz YSQVDGJFBXJASC-UHFFFAOYSA-N 0 0 427.529 5.064 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)C[C@@H](c1ccccc1)CC2 ZINC000012649760 521783837 /nfs/dbraw/zinc/78/38/37/521783837.db2.gz DNMKIBDYUVILJU-KVHHZJNNSA-N 0 0 449.616 5.962 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908323 521792212 /nfs/dbraw/zinc/79/22/12/521792212.db2.gz KJMHEWFNGWUISR-QHCPKHFHSA-N 0 0 430.979 6.265 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCC(C)C)c3cccc(Oc4ccccc4)c3)c[nH]c21 ZINC000035768650 521792255 /nfs/dbraw/zinc/79/22/55/521792255.db2.gz NQKWREAMRDELKL-SANMLTNESA-N 0 0 440.587 6.817 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)c3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888889 521792301 /nfs/dbraw/zinc/79/23/01/521792301.db2.gz YHRRLAFQVCAJSA-MBSDFSHPSA-N 0 0 440.543 5.858 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3ccccc3OC)c[nH]c21 ZINC000035579488 521793808 /nfs/dbraw/zinc/79/38/08/521793808.db2.gz OLDXMYZMNKALRZ-QHCPKHFHSA-N 0 0 427.548 5.015 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3ccc(OC)cc3)c[nH]c21 ZINC000036000223 521795270 /nfs/dbraw/zinc/79/52/70/521795270.db2.gz KWVSLOKHKGQNJN-XMMPIXPASA-N 0 0 427.548 5.015 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CCc3ccccc3)c3ccc(F)cc3)c[nH]c21 ZINC000035776236 521795390 /nfs/dbraw/zinc/79/53/90/521795390.db2.gz YQFNEHWWLUQTDL-RXFWQSSRSA-N 0 0 442.578 6.529 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccc3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888888 521795661 /nfs/dbraw/zinc/79/56/61/521795661.db2.gz LBYNGJLTESZMMW-HSZRJFAPSA-N 0 0 440.543 5.340 50 0 IKAARN CNC(=O)c1ccc(/C=C/C(=O)N(c2nc3ccccc3s2)c2cc(C)cc(C)c2)cc1 ZINC000012930971 521795720 /nfs/dbraw/zinc/79/57/20/521795720.db2.gz NFWALKYZJBMCCW-JLHYYAGUSA-N 0 0 441.556 5.651 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc(OC)cc3OC)c[nH]c21 ZINC000035910610 521795690 /nfs/dbraw/zinc/79/56/90/521795690.db2.gz DFOYQZQSNRYWHS-XMMPIXPASA-N 0 0 442.559 5.586 50 0 IKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CCc3ccccc3)c3ccc(F)cc3)c[nH]c21 ZINC000035776239 521795889 /nfs/dbraw/zinc/79/58/89/521795889.db2.gz YQFNEHWWLUQTDL-IBVKSMDESA-N 0 0 442.578 6.529 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccc(F)cc3)c3cccc(OC)c3)c[nH]c21 ZINC000035889373 521795934 /nfs/dbraw/zinc/79/59/34/521795934.db2.gz MAQWTVCPILWHHN-XMMPIXPASA-N 0 0 430.523 5.716 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1C(F)(F)F)N(C(C)=O)c1ccccc1-2 ZINC000032997281 521799089 /nfs/dbraw/zinc/79/90/89/521799089.db2.gz ZQMPHPHWMCDYJQ-IBGZPJMESA-N 0 0 446.454 5.114 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(C)c1)N(C(=O)CC)c1ccc(Cl)cc1-2 ZINC000032998082 521800188 /nfs/dbraw/zinc/80/01/88/521800188.db2.gz FMNVNLBSQRUWNW-OAQYLSRUSA-N 0 0 440.956 5.447 50 0 IKAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000035946273 521809379 /nfs/dbraw/zinc/80/93/79/521809379.db2.gz SPHLZEGKAVYGLW-RUZDIDTESA-N 0 0 449.639 5.670 50 0 IKAARN CC[C@@H](C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1)c1ccccc1 ZINC000012418889 521820425 /nfs/dbraw/zinc/82/04/25/521820425.db2.gz LFGCNBYESLAGSP-HSZRJFAPSA-N 0 0 436.559 5.139 50 0 IKAARN COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(F)c1F ZINC000012651135 521849621 /nfs/dbraw/zinc/84/96/21/521849621.db2.gz LVVGVHWCBFBMPZ-UHFFFAOYSA-N 0 0 430.357 5.621 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000035925107 521852261 /nfs/dbraw/zinc/85/22/61/521852261.db2.gz PELXQMIHVGLKRH-BVZFJXPGSA-N 0 0 438.637 6.429 50 0 IKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000035925110 521853207 /nfs/dbraw/zinc/85/32/07/521853207.db2.gz IQHGJGGYSRGVQV-AREMUKBSSA-N 0 0 430.573 5.599 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1 ZINC000035927280 521869619 /nfs/dbraw/zinc/86/96/19/521869619.db2.gz GZWPVKNORPGCTN-RCZVLFRGSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1 ZINC000035912185 521869847 /nfs/dbraw/zinc/86/98/47/521869847.db2.gz VGZCDXPOAWLNAB-NLFFAJNJSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cc(C)ccc2F)cc1)c1ccccc1 ZINC000035928011 521871242 /nfs/dbraw/zinc/87/12/42/521871242.db2.gz QVAMYIPNYOYNHO-RLWLMLJZSA-N 0 0 448.563 6.045 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@@H](C)O2)c1ccccc1 ZINC000035873177 521871525 /nfs/dbraw/zinc/87/15/25/521871525.db2.gz KADQTGBJZLUPNG-NTKDMRAZSA-N 0 0 428.532 5.129 50 0 IKAARN CCc1ccccc1NC(=O)CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000012822700 521873280 /nfs/dbraw/zinc/87/32/80/521873280.db2.gz PUMSTYFKUBBOFO-UHFFFAOYSA-N 0 0 431.517 5.001 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)c1)c1ccccc1 ZINC000035910874 521873441 /nfs/dbraw/zinc/87/34/41/521873441.db2.gz FSSGUWMWUKXIFW-BVAGGSTKSA-N 0 0 430.573 5.906 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1OC ZINC000033068661 521875433 /nfs/dbraw/zinc/87/54/33/521875433.db2.gz FPGJWQJLYNBTEB-UHFFFAOYSA-N 0 0 443.572 5.522 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 ZINC000013803926 521880112 /nfs/dbraw/zinc/88/01/12/521880112.db2.gz GPRDVIMQXKTRTI-UHFFFAOYSA-N 0 0 432.549 5.188 50 0 IKAARN COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000036025448 521887383 /nfs/dbraw/zinc/88/73/83/521887383.db2.gz VCYLUWWVUJRDTH-CTNGQTDRSA-N 0 0 425.569 5.385 50 0 biogenic IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021536536 521893526 /nfs/dbraw/zinc/89/35/26/521893526.db2.gz ITJVBSGRRKDDHJ-AREMUKBSSA-N 0 0 443.497 6.455 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021536754 521893558 /nfs/dbraw/zinc/89/35/58/521893558.db2.gz OLUKELKSXMQORC-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021536057 521893757 /nfs/dbraw/zinc/89/37/57/521893757.db2.gz BFEQCRIYPIYNDG-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN COc1cc(-c2nc(C(=O)NCC(C)C)cs2)ccc1OCc1ccc(F)c(F)c1 ZINC000034712454 521899693 /nfs/dbraw/zinc/89/96/93/521899693.db2.gz GZDCPNBZPKSFJP-UHFFFAOYSA-N 0 0 432.492 5.062 50 0 IKAARN COc1cc(-c2nnc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012506161 521909697 /nfs/dbraw/zinc/90/96/97/521909697.db2.gz UYKPWONLBRLWSK-UHFFFAOYSA-N 0 0 438.487 5.380 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)ccc1OC(C)C ZINC000020549985 521934853 /nfs/dbraw/zinc/93/48/53/521934853.db2.gz SDBHZNXFGJYIBL-YRNVUSSQSA-N 0 0 425.916 5.033 50 0 IKAARN COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Br)cc1 ZINC000012628083 521961614 /nfs/dbraw/zinc/96/16/14/521961614.db2.gz DUPXAFCMZDZFMF-UNOMPAQXSA-N 0 0 436.305 5.529 50 0 IKAARN COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000012468616 521961837 /nfs/dbraw/zinc/96/18/37/521961837.db2.gz YWACCDQEHSUETJ-ZDLGFXPLSA-N 0 0 426.299 6.074 50 0 IKAARN CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl ZINC000012767486 522010919 /nfs/dbraw/zinc/01/09/19/522010919.db2.gz RASFWNVRQFUTMP-IBGZPJMESA-N 0 0 432.351 5.000 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1 ZINC000012806908 522034882 /nfs/dbraw/zinc/03/48/82/522034882.db2.gz PLBWCYGGIBKDMD-ZLGFGDHQSA-N 0 0 427.589 5.056 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 ZINC000013804307 522037043 /nfs/dbraw/zinc/03/70/43/522037043.db2.gz KBKKWVBPDNWFLN-HNNXBMFYSA-N 0 0 428.989 5.863 50 0 IKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)/C=C\c3c(Cl)nc4sccn34)n2)cc1 ZINC000033480002 522037256 /nfs/dbraw/zinc/03/72/56/522037256.db2.gz HEGUOWKNCIHZHI-YXVBKTCISA-N 0 0 442.997 6.338 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)cc1 ZINC000012634806 522037934 /nfs/dbraw/zinc/03/79/34/522037934.db2.gz AWQPBPUIXBJIHO-AWEZNQCLSA-N 0 0 437.590 5.647 50 0 IKAARN CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2cn(CC)nc2C)Cc2ccc(F)cc2)cc1 ZINC000020614304 522039657 /nfs/dbraw/zinc/03/96/57/522039657.db2.gz FYWVRDKPQDSDDX-SFHVURJKSA-N 0 0 443.588 5.255 50 0 IKAARN COC(=O)c1ccc(COc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)cc1 ZINC000011866222 522046790 /nfs/dbraw/zinc/04/67/90/522046790.db2.gz GFNLYEAMQQAHCU-UHFFFAOYSA-N 0 0 430.456 5.143 50 0 IKAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2C)cc1 ZINC000012565168 522052003 /nfs/dbraw/zinc/05/20/03/522052003.db2.gz OJPOPZDLBOHDQW-UHFFFAOYSA-N 0 0 449.963 5.975 50 0 IKAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035865507 522056836 /nfs/dbraw/zinc/05/68/36/522056836.db2.gz CBTURWNOUUBTAD-SJORKVTESA-N 0 0 442.673 5.414 50 0 IKAARN COc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)ccc1OCc1ccccc1 ZINC000012524924 522058104 /nfs/dbraw/zinc/05/81/04/522058104.db2.gz LQFBNKQDPQHBAE-UHFFFAOYSA-N 0 0 430.548 5.147 50 0 IKAARN CC[C@H](C)n1c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036617091 522070156 /nfs/dbraw/zinc/07/01/56/522070156.db2.gz NBRYFQPHPIPKAJ-LBPRGKRZSA-N 0 0 429.467 6.264 50 0 IKAARN CC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2cccc3ccccc32)nc2ccccc2c1=O ZINC000012784518 522070196 /nfs/dbraw/zinc/07/01/96/522070196.db2.gz HCMVVEAEWLVWPC-ROUUACIJSA-N 0 0 445.588 5.490 50 0 IKAARN COCCn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615526 522077448 /nfs/dbraw/zinc/07/74/48/522077448.db2.gz FIDHAONSNRLOJT-UHFFFAOYSA-N 0 0 432.279 5.012 50 0 IKAARN COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OCC(C)C ZINC000012579058 522078041 /nfs/dbraw/zinc/07/80/41/522078041.db2.gz ZLNDAUJJCNAWKX-LJQANCHMSA-N 0 0 427.932 5.237 50 0 IKAARN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OCC(C)C ZINC000012579066 522079442 /nfs/dbraw/zinc/07/94/42/522079442.db2.gz ZLNDAUJJCNAWKX-IBGZPJMESA-N 0 0 427.932 5.237 50 0 IKAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C3SCCCS3)cc2)c1 ZINC000012542834 522079834 /nfs/dbraw/zinc/07/98/34/522079834.db2.gz CCGAXKPVIYBNEV-UHFFFAOYSA-N 0 0 442.606 5.194 50 0 IKAARN CC[C@@H](C)N(CCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)C(=O)C1CCCC1 ZINC000035701110 522086166 /nfs/dbraw/zinc/08/61/66/522086166.db2.gz GGGGEOYNAASCBG-CQSZACIVSA-N 0 0 434.993 5.004 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)c1cccs1 ZINC000035945249 522097249 /nfs/dbraw/zinc/09/72/49/522097249.db2.gz KDPANQWTNSDWHF-MRXNPFEDSA-N 0 0 441.622 5.569 50 0 IKAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)CC)C(=O)c1ccccc1Cl ZINC000036009250 522097314 /nfs/dbraw/zinc/09/73/14/522097314.db2.gz PLCJEZAUDQPZQA-CQSZACIVSA-N 0 0 444.380 5.163 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000035945476 522098421 /nfs/dbraw/zinc/09/84/21/522098421.db2.gz JTPSYLTUFZORQK-CJFMBICVSA-N 0 0 449.639 5.812 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000035943871 522098656 /nfs/dbraw/zinc/09/86/56/522098656.db2.gz JLUKYODFSWGTRY-LJQANCHMSA-N 0 0 439.600 5.187 50 0 IKAARN CN(C)c1c(CN(Cc2ccccc2)C(=O)c2cccs2)c(-c2ccccc2)nn1C ZINC000035970077 522110884 /nfs/dbraw/zinc/11/08/84/522110884.db2.gz IWSMGYDTLBBDDN-UHFFFAOYSA-N 0 0 430.577 5.057 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Cc4ccc(F)cc4)nc3c2)cc1 ZINC000034908334 522123750 /nfs/dbraw/zinc/12/37/50/522123750.db2.gz LTJVUMAZLIGROY-DEOSSOPVSA-N 0 0 443.522 5.606 50 0 IKAARN CC[C@H](CCNC(=S)Nc1ccccc1Cl)NC(=S)Nc1ccccc1Cl ZINC000012418827 522127297 /nfs/dbraw/zinc/12/72/97/522127297.db2.gz WWSFTXOJUIWTBX-CYBMUJFWSA-N 0 0 441.453 5.435 50 0 IKAARN COC(=O)c1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000012446053 522135143 /nfs/dbraw/zinc/13/51/43/522135143.db2.gz DXYBQSIYNVUPTM-UHFFFAOYSA-N 0 0 442.306 5.269 50 0 IKAARN COC(=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(Br)c1 ZINC000012137493 522140312 /nfs/dbraw/zinc/14/03/12/522140312.db2.gz ZRFDZJBTZSCRBP-UHFFFAOYSA-N 0 0 425.687 5.323 50 0 IKAARN COC(=O)c1ccc(OC)cc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000012633354 522141142 /nfs/dbraw/zinc/14/11/42/522141142.db2.gz FCIXGTPCRDQHFH-UHFFFAOYSA-N 0 0 426.881 5.599 50 0 IKAARN COc1cc(C(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc(OC)c1OC ZINC000011866192 522172217 /nfs/dbraw/zinc/17/22/17/522172217.db2.gz HGYIKKPERCITRY-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 IKAARN CC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000035815782 522172161 /nfs/dbraw/zinc/17/21/61/522172161.db2.gz YYGCYYGZXHSXQZ-KCWPFWIISA-N 0 0 438.615 6.743 50 0 IKAARN COC(=O)c1ccc2c(c1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1S2 ZINC000021089170 522181714 /nfs/dbraw/zinc/18/17/14/522181714.db2.gz UEUUPDFAQOJWEY-UHFFFAOYSA-N 0 0 443.446 5.804 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)c1 ZINC000035847832 522215466 /nfs/dbraw/zinc/21/54/66/522215466.db2.gz VQJJGYMSBYFKEB-UHFFFAOYSA-N 0 0 433.508 5.461 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000035928471 522217710 /nfs/dbraw/zinc/21/77/10/522217710.db2.gz OHQOUIYXAKOLDM-SUKXCJLFSA-N 0 0 443.572 5.183 50 0 IKAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000035928434 522221296 /nfs/dbraw/zinc/22/12/96/522221296.db2.gz KFHKVQGNDRIRMF-SANMLTNESA-N 0 0 445.588 5.103 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C(=O)c1cccs1)C1CCCCC1 ZINC000035944845 522221973 /nfs/dbraw/zinc/22/19/73/522221973.db2.gz PNFQAJRGTGCYCA-UHFFFAOYSA-N 0 0 439.625 5.528 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(Cc1ccco1)C(=O)CC(C)(C)C ZINC000035945456 522222264 /nfs/dbraw/zinc/22/22/64/522222264.db2.gz ZYTRNTCKCUEOIE-UHFFFAOYSA-N 0 0 441.616 5.685 50 0 IKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(Cc1ccccc1)C(=O)c1ccco1 ZINC000035944504 522222414 /nfs/dbraw/zinc/22/24/14/522222414.db2.gz UUGSVVUHLCKHAK-UHFFFAOYSA-N 0 0 447.579 5.563 50 0 IKAARN CN(C)c1ccc(NC(=O)CSc2nc3ccc(F)cc3c(-c3ccccc3)n2)cc1 ZINC000021523395 522224363 /nfs/dbraw/zinc/22/43/63/522224363.db2.gz LHQIFUFNARVTPV-UHFFFAOYSA-N 0 0 432.524 5.233 50 0 IKAARN COC(=O)c1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000021879903 522229549 /nfs/dbraw/zinc/22/95/49/522229549.db2.gz DUCMWVJKGBTVNK-XMMPIXPASA-N 0 0 443.478 5.273 50 0 IKAARN CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000012565700 522246916 /nfs/dbraw/zinc/24/69/16/522246916.db2.gz FZRZUSMYZIQIER-QHCPKHFHSA-N 0 0 447.966 5.214 50 0 IKAARN COC(=O)c1ccccc1NC(=O)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047386 522276344 /nfs/dbraw/zinc/27/63/44/522276344.db2.gz GMDLBUDHLIDFST-QHCPKHFHSA-N 0 0 446.572 5.593 50 0 IKAARN COc1cc(C2SCCS2)ccc1OC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000012920345 522308611 /nfs/dbraw/zinc/30/86/11/522308611.db2.gz PQQFLUTUONTRGG-UHFFFAOYSA-N 0 0 445.537 5.506 50 0 IKAARN COc1cc(CCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1 ZINC000032932422 522327489 /nfs/dbraw/zinc/32/74/89/522327489.db2.gz KBSMQWQFGZOAHJ-GOSISDBHSA-N 0 0 447.535 5.158 50 0 IKAARN CN(C)c1nc2cc(C(=O)Nc3ccccc3OC(F)F)sc2n1-c1ccccc1 ZINC000012535396 522333278 /nfs/dbraw/zinc/33/32/78/522333278.db2.gz OXOIRBNVUFEYHG-UHFFFAOYSA-N 0 0 428.464 5.007 50 0 IKAARN CCc1nc(S[C@@H](C)c2nnc(-c3cccs3)o2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012564088 522409151 /nfs/dbraw/zinc/40/91/51/522409151.db2.gz INOQWENHHHVPFX-NSHDSACASA-N 0 0 443.985 5.906 50 0 IKAARN COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012340626 522418201 /nfs/dbraw/zinc/41/82/01/522418201.db2.gz ITWNQAQYTQEYQW-UHFFFAOYSA-N 0 0 442.968 6.797 50 0 IKAARN COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012340397 522420930 /nfs/dbraw/zinc/42/09/30/522420930.db2.gz UWEWXQLMMOHCEI-UHFFFAOYSA-N 0 0 449.616 7.049 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)cc1 ZINC000012634804 522425667 /nfs/dbraw/zinc/42/56/67/522425667.db2.gz AWQPBPUIXBJIHO-CQSZACIVSA-N 0 0 437.590 5.647 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1 ZINC000012806901 522426169 /nfs/dbraw/zinc/42/61/69/522426169.db2.gz PLBWCYGGIBKDMD-BACKLWQASA-N 0 0 427.589 5.056 50 0 IKAARN CC[C@@H](C)c1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1 ZINC000012529613 522427275 /nfs/dbraw/zinc/42/72/75/522427275.db2.gz WLMAUYANGCNLEK-MRXNPFEDSA-N 0 0 443.503 5.507 50 0 aggregator IKAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2cn(CC)nc2C)Cc2ccc(F)cc2)cc1 ZINC000020614302 522429009 /nfs/dbraw/zinc/42/90/09/522429009.db2.gz FYWVRDKPQDSDDX-GOSISDBHSA-N 0 0 443.588 5.255 50 0 IKAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CCCCC3 ZINC000035892356 522441298 /nfs/dbraw/zinc/44/12/98/522441298.db2.gz FWJKXZALNBHNLU-QGZVFWFLSA-N 0 0 442.673 5.559 50 0 IKAARN COC(=O)c1sccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000020860346 522446611 /nfs/dbraw/zinc/44/66/11/522446611.db2.gz GZYKGRLBOZXYGI-OAQYLSRUSA-N 0 0 449.507 5.335 50 0 IKAARN CC[C@@H](C)n1c(SCC(=O)N[C@H](C)c2cccc3ccccc32)nc2ccccc2c1=O ZINC000012784525 522453442 /nfs/dbraw/zinc/45/34/42/522453442.db2.gz HCMVVEAEWLVWPC-QZTJIDSGSA-N 0 0 445.588 5.490 50 0 IKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000012551870 522496557 /nfs/dbraw/zinc/49/65/57/522496557.db2.gz XJRHBMBQNQNBFJ-UHFFFAOYSA-N 0 0 441.358 5.613 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000035536450 522515778 /nfs/dbraw/zinc/51/57/78/522515778.db2.gz DEEDZQBNCXPGKY-UHFFFAOYSA-N 0 0 435.705 5.635 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000020579180 522517057 /nfs/dbraw/zinc/51/70/57/522517057.db2.gz BQNNXNKMNLAZPX-UHFFFAOYSA-N 0 0 434.927 5.568 50 0 IKAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000012873664 522520188 /nfs/dbraw/zinc/52/01/88/522520188.db2.gz OHUHKXQUPRAQPK-UHFFFAOYSA-N 0 0 437.710 5.618 50 0 IKAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)Nc4ccc(C)c(C)c4)CC2)n1)CCCC3 ZINC000035867175 522540361 /nfs/dbraw/zinc/54/03/61/522540361.db2.gz FCQKMIVFQHQCNU-UHFFFAOYSA-N 0 0 449.624 5.103 50 0 IKAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012398419 522609158 /nfs/dbraw/zinc/60/91/58/522609158.db2.gz VEACMSKDKCGNJJ-UHFFFAOYSA-N 0 0 444.619 5.367 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C(=O)C1CCCC1 ZINC000035975624 522638894 /nfs/dbraw/zinc/63/88/94/522638894.db2.gz WYPPFDQWYOJKAV-UHFFFAOYSA-N 0 0 447.579 5.392 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)C1CCCC1)C1CC1 ZINC000035975649 522639231 /nfs/dbraw/zinc/63/92/31/522639231.db2.gz WQFJLMKYEZEYMA-UHFFFAOYSA-N 0 0 429.564 5.908 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C(=O)c1ccco1 ZINC000035975602 522640416 /nfs/dbraw/zinc/64/04/16/522640416.db2.gz KKVCMEWCQZVFRY-UHFFFAOYSA-N 0 0 445.519 5.109 50 0 IKAARN COc1cc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)cc(OC)c1 ZINC000032985900 522663684 /nfs/dbraw/zinc/66/36/84/522663684.db2.gz SQJLDKNEIQSZMC-UHFFFAOYSA-N 0 0 428.488 5.245 50 0 IKAARN COc1cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc(OC)c1 ZINC000021891000 522689944 /nfs/dbraw/zinc/68/99/44/522689944.db2.gz KPESTZWBTJYPIU-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(C)c(C)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008607 522702265 /nfs/dbraw/zinc/70/22/65/522702265.db2.gz PEDFURKBBYZLLZ-UHFFFAOYSA-N 0 0 446.532 5.818 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)cc(OC)c1 ZINC000021711633 522703084 /nfs/dbraw/zinc/70/30/84/522703084.db2.gz ZXIHPKYWDASKMJ-UHFFFAOYSA-N 0 0 434.427 5.204 50 0 IKAARN COc1cc(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc(OC)c1 ZINC000013347806 522704514 /nfs/dbraw/zinc/70/45/14/522704514.db2.gz ITPMKJBMLZKACU-UHFFFAOYSA-N 0 0 430.508 5.020 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)c(OC)cc1Cl ZINC000022239289 522718154 /nfs/dbraw/zinc/71/81/54/522718154.db2.gz PWFARZXFSOKKLA-UHFFFAOYSA-N 0 0 441.846 5.260 50 0 IKAARN COc1cc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(OC)cc1Cl ZINC000015970660 522720873 /nfs/dbraw/zinc/72/08/73/522720873.db2.gz CDWCSAGBECZJAI-UHFFFAOYSA-N 0 0 445.903 5.457 50 0 IKAARN COc1cc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc(OC)c1 ZINC000033261215 522722565 /nfs/dbraw/zinc/72/25/65/522722565.db2.gz PFGMBWPFFNRDRH-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COC(=O)C(/C=C(\C(=O)OC)c1cc2ccccc2s1)=C/c1cc2ccccc2s1 ZINC000033699481 522744347 /nfs/dbraw/zinc/74/43/47/522744347.db2.gz YIUGOSGTVDHKDU-RRHLHDAOSA-N 0 0 434.538 5.929 50 0 IKAARN CCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)c2cc3sccc3n21 ZINC000020510734 522783270 /nfs/dbraw/zinc/78/32/70/522783270.db2.gz ZPAUTERQAYUPQS-UHFFFAOYSA-N 0 0 436.484 5.256 50 0 IKAARN CCc1nnc(SCc2nc(-c3ccc(Cl)cc3)oc2C)c2cc3oc(C)cc3n21 ZINC000020510798 522784109 /nfs/dbraw/zinc/78/41/09/522784109.db2.gz CKKWIVCTIAYMBB-UHFFFAOYSA-N 0 0 438.940 6.255 50 0 IKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1Cl ZINC000012770907 522811082 /nfs/dbraw/zinc/81/10/82/522811082.db2.gz VKKMFXHKFTYSDW-UHFFFAOYSA-N 0 0 441.846 5.260 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cc1Cl ZINC000020385035 522811824 /nfs/dbraw/zinc/81/18/24/522811824.db2.gz XJESPIWSUHCNSI-UHFFFAOYSA-N 0 0 440.908 5.326 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C)c(C)c3)n2-c2ccccc2)c1 ZINC000035847641 522838592 /nfs/dbraw/zinc/83/85/92/522838592.db2.gz RXDXITIMSFBQSX-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3c(F)cccc3F)n2C2CCCCC2)c1 ZINC000035847553 522838715 /nfs/dbraw/zinc/83/87/15/522838715.db2.gz WNBMWOTVCGWQNG-UHFFFAOYSA-N 0 0 445.535 6.038 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3F)n2-c2cccc(C)c2)c1 ZINC000035848736 522838893 /nfs/dbraw/zinc/83/88/93/522838893.db2.gz CATNEUIKOJVEIW-UHFFFAOYSA-N 0 0 435.524 5.691 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C)c3)n2-c2ccc(C)cc2)c1 ZINC000035847742 522839389 /nfs/dbraw/zinc/83/93/89/522839389.db2.gz ULDRHQIVNZFHOH-UHFFFAOYSA-N 0 0 431.561 5.861 50 0 IKAARN COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(C(C)C)cc4)nn3)n2)c1 ZINC000033022136 522841422 /nfs/dbraw/zinc/84/14/22/522841422.db2.gz YNJCLSBRPJDHOH-UHFFFAOYSA-N 0 0 448.548 5.627 50 0 IKAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4cccc(C)c4)ccc3o2)c1 ZINC000034907841 522846967 /nfs/dbraw/zinc/84/69/67/522846967.db2.gz GEDUVLXBYJDDQN-XMMPIXPASA-N 0 0 442.515 5.798 50 0 IKAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000034907686 522847148 /nfs/dbraw/zinc/84/71/48/522847148.db2.gz IGLQCUHXYBIADP-HSZRJFAPSA-N 0 0 428.488 5.489 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C)cc3)cc2)c1 ZINC000035912284 522857509 /nfs/dbraw/zinc/85/75/09/522857509.db2.gz OVHOCQMPQPJZLH-VWLOTQADSA-N 0 0 448.544 5.043 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000035910860 522858875 /nfs/dbraw/zinc/85/88/75/522858875.db2.gz LDXURGOFOPXWSD-RUZDIDTESA-N 0 0 448.544 5.043 50 0 IKAARN CN(CCOC(=O)c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)nc2ccccc21 ZINC000020443531 522885904 /nfs/dbraw/zinc/88/59/04/522885904.db2.gz AQHGAGPIQKLHHG-UHFFFAOYSA-N 0 0 442.359 5.566 50 0 IKAARN CCc1noc(CSc2nc3sc(-c4ccccc4)cc3c(=O)n2-c2ccccc2)n1 ZINC000012749543 522900484 /nfs/dbraw/zinc/90/04/84/522900484.db2.gz APLRNDSIQJSZBY-UHFFFAOYSA-N 0 0 446.557 5.352 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21)C(=O)Nc1ccccc1C ZINC000021936853 522914145 /nfs/dbraw/zinc/91/41/45/522914145.db2.gz GQLFLONGRJIJES-SFTDATJTSA-N 0 0 448.592 5.150 50 0 IKAARN COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3OC)c21 ZINC000012445354 522919123 /nfs/dbraw/zinc/91/91/23/522919123.db2.gz DRDDYYFQUUJONK-UHFFFAOYSA-N 0 0 446.528 5.243 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc(OC)c1OC ZINC000021157858 522925022 /nfs/dbraw/zinc/92/50/22/522925022.db2.gz ZNKCFDVTSFFBQZ-HNNXBMFYSA-N 0 0 429.925 5.568 50 0 IKAARN CC[C@H](Sc1nnc(-c2cc3ccccc3o2)n1C(C)C)C(=O)NC1CCCCC1 ZINC000057291811 522926256 /nfs/dbraw/zinc/92/62/56/522926256.db2.gz LKCKCKSDCYUTOG-FQEVSTJZSA-N 0 0 426.586 5.592 50 0 IKAARN COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc(OC)c1OC ZINC000016758711 522933014 /nfs/dbraw/zinc/93/30/14/522933014.db2.gz GLTVCNKJBXASDQ-HXOBKFHXSA-N 0 0 440.883 5.201 50 0 IKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2OC)o1 ZINC000012303459 522977177 /nfs/dbraw/zinc/97/71/77/522977177.db2.gz GCNPKHRHTMMXFU-VWLOTQADSA-N 0 0 432.520 5.072 50 0 IKAARN CC[C@H]1CCCCN1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000012730244 523006905 /nfs/dbraw/zinc/00/69/05/523006905.db2.gz WINRCYOVCHUVLE-KRWDZBQOSA-N 0 0 432.659 5.319 50 0 IKAARN COc1cc2c(cc1NC(=O)CSc1ncc(-c3ccc(F)cc3)o1)oc1ccccc12 ZINC000014709720 523016590 /nfs/dbraw/zinc/01/65/90/523016590.db2.gz OXVTTXYEYKRQTR-UHFFFAOYSA-N 0 0 448.475 6.120 50 0 IKAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cccc(Cl)c3)cc1)=NCC2 ZINC000035238396 523023620 /nfs/dbraw/zinc/02/36/20/523023620.db2.gz QHVOZCHILWDYQG-UHFFFAOYSA-N 0 0 449.938 5.589 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc3cc4cc(C)ccc4nc3s1)CC2 ZINC000021087439 523034450 /nfs/dbraw/zinc/03/44/50/523034450.db2.gz RVFJGWSDJBEKJU-OAHLLOKOSA-N 0 0 432.545 5.535 50 0 IKAARN CC[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000065031780 523038195 /nfs/dbraw/zinc/03/81/95/523038195.db2.gz SYXXMCYAKUMSDU-RUZDIDTESA-N 0 0 425.488 5.296 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000023446657 523039717 /nfs/dbraw/zinc/03/97/17/523039717.db2.gz HMIRAGDIQSAJDM-HSZRJFAPSA-N 0 0 443.877 5.423 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccccc1F)CC2 ZINC000023441959 523043212 /nfs/dbraw/zinc/04/32/12/523043212.db2.gz VDEHRMFKTLIAFQ-HSZRJFAPSA-N 0 0 440.902 5.676 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cccc(Cl)c1)CC2 ZINC000013056065 523043591 /nfs/dbraw/zinc/04/35/91/523043591.db2.gz NFDVJCBHMBGZGQ-QHCPKHFHSA-N 0 0 442.968 5.005 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000023436535 523051736 /nfs/dbraw/zinc/05/17/36/523051736.db2.gz WZAMJRXPWOVSMT-QHCPKHFHSA-N 0 0 425.887 5.284 50 0 IKAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1ccnc(Cl)c1 ZINC000020744648 523072373 /nfs/dbraw/zinc/07/23/73/523072373.db2.gz BSLCFPCTSPFXHX-UHFFFAOYSA-N 0 0 434.879 5.088 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000012677905 523072671 /nfs/dbraw/zinc/07/26/71/523072671.db2.gz WMGKZMPDTHSWIL-QHCPKHFHSA-N 0 0 430.573 6.201 50 0 IKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000012677901 523073434 /nfs/dbraw/zinc/07/34/34/523073434.db2.gz WMGKZMPDTHSWIL-HSZRJFAPSA-N 0 0 430.573 6.201 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CNc3ccc(C)cc3)n2)cc1 ZINC000021659560 523081241 /nfs/dbraw/zinc/08/12/41/523081241.db2.gz JZTMJRLJMYGTDV-UHFFFAOYSA-N 0 0 438.531 5.487 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3c2COc2ccccc2-3)cc1 ZINC000020847359 523082303 /nfs/dbraw/zinc/08/23/03/523082303.db2.gz QJLIGOCTVWCDFZ-UHFFFAOYSA-N 0 0 444.328 6.746 50 0 IKAARN CC[C@@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020510696 523085905 /nfs/dbraw/zinc/08/59/05/523085905.db2.gz SSPDTVYCSILAMS-QGZVFWFLSA-N 0 0 430.986 5.724 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3ccc(Cl)cc3)n2)cc1 ZINC000021659355 523086482 /nfs/dbraw/zinc/08/64/82/523086482.db2.gz YVROMARWGYXCSV-UHFFFAOYSA-N 0 0 444.922 5.523 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc5cccc(OC)c5o4)ccc3o2)cc1 ZINC000012296834 523088209 /nfs/dbraw/zinc/08/82/09/523088209.db2.gz RZOZXSQKFGZRSL-UHFFFAOYSA-N 0 0 441.439 5.476 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccc(C)c3)c2)cc1OC ZINC000021782891 523089392 /nfs/dbraw/zinc/08/93/92/523089392.db2.gz JTBRGKRYWGMSQU-UHFFFAOYSA-N 0 0 444.483 5.622 50 0 IKAARN CC[C@@H](c1ccccc1)N1Cc2cc(NC(=O)c3cccs3)ccc2O[C@@H](CC)C1=O ZINC000035909558 523099663 /nfs/dbraw/zinc/09/96/63/523099663.db2.gz RKLQQXWIZKANLC-SFTDATJTSA-N 0 0 434.561 5.651 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C(C)=O)c3ccccc3n2)cc1OC ZINC000012803944 523100797 /nfs/dbraw/zinc/10/07/97/523100797.db2.gz DHEZQDYTMNPNKL-UHFFFAOYSA-N 0 0 426.472 5.374 50 0 IKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000020761366 523104254 /nfs/dbraw/zinc/10/42/54/523104254.db2.gz GAGICPZVZWSYEB-UHFFFAOYSA-N 0 0 438.955 5.077 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)cc1 ZINC000020616857 523104707 /nfs/dbraw/zinc/10/47/07/523104707.db2.gz BXKUOAWEZCJOEI-UHFFFAOYSA-N 0 0 431.845 6.136 50 0 IKAARN COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1OC ZINC000020602962 523106525 /nfs/dbraw/zinc/10/65/25/523106525.db2.gz SBFPBKPPOKPYAZ-UHFFFAOYSA-N 0 0 439.437 6.059 50 0 IKAARN COc1ccc(-c2cc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)no2)c(OC)c1 ZINC000036012236 523107906 /nfs/dbraw/zinc/10/79/06/523107906.db2.gz KRHLRPRJNNBLPD-UHFFFAOYSA-N 0 0 428.916 5.311 50 0 IKAARN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)no2)cc1 ZINC000036012095 523108686 /nfs/dbraw/zinc/10/86/86/523108686.db2.gz CWPUKUPCZVAZDB-UHFFFAOYSA-N 0 0 430.479 5.640 50 0 IKAARN COc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 ZINC000021944915 523110351 /nfs/dbraw/zinc/11/03/51/523110351.db2.gz POFYLFPNQRFFJW-UHFFFAOYSA-N 0 0 433.895 5.219 50 0 IKAARN COc1ccc(-c2ccc(CNC(=O)Nc3cccc4ccccc43)c3cnccc23)cc1C ZINC000035844641 523133060 /nfs/dbraw/zinc/13/30/60/523133060.db2.gz LMGXQODCPMRICL-UHFFFAOYSA-N 0 0 447.538 6.694 50 0 IKAARN COc1ccc(-c2ccc(SCc3nc(-c4ccc(C)c(C)c4)no3)nn2)cc1OC ZINC000033262526 523136436 /nfs/dbraw/zinc/13/64/36/523136436.db2.gz NZTLFOVBRZOJSB-UHFFFAOYSA-N 0 0 434.521 5.120 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)N4c5ccc(F)cc5CC[C@@H]4C)csc3n2)cc1 ZINC000020555533 523144922 /nfs/dbraw/zinc/14/49/22/523144922.db2.gz UTSFRYJXQZJNFR-HNNXBMFYSA-N 0 0 435.524 5.121 50 0 IKAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC ZINC000011866287 523148559 /nfs/dbraw/zinc/14/85/59/523148559.db2.gz IHKPWBJDBQDENH-UHFFFAOYSA-N 0 0 443.503 5.003 50 0 IKAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000020744348 523153910 /nfs/dbraw/zinc/15/39/10/523153910.db2.gz SQXNVNYBFUXNMH-QGZVFWFLSA-N 0 0 431.279 5.037 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000012730237 523155328 /nfs/dbraw/zinc/15/53/28/523155328.db2.gz WINRCYOVCHUVLE-QGZVFWFLSA-N 0 0 432.659 5.319 50 0 IKAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cc(C)cc(C)c3)n2)cc1OC ZINC000012442243 523160012 /nfs/dbraw/zinc/16/00/12/523160012.db2.gz ANMMUDGXZBMZNE-UHFFFAOYSA-N 0 0 448.548 5.191 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000036048444 523164647 /nfs/dbraw/zinc/16/46/47/523164647.db2.gz DQGDTCJGHWXRNJ-JFIYKMOQSA-N 0 0 440.897 5.602 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000016944821 523167242 /nfs/dbraw/zinc/16/72/42/523167242.db2.gz FFDIMRHMHSLIRD-UHFFFAOYSA-N 0 0 434.970 5.602 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1OC ZINC000012745121 523167655 /nfs/dbraw/zinc/16/76/55/523167655.db2.gz RVJUFAUPRSSCSE-UHFFFAOYSA-N 0 0 444.556 5.988 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cc4cc5ccc(OC)cc5nc4s3)n2)cc1 ZINC000012540220 523169748 /nfs/dbraw/zinc/16/97/48/523169748.db2.gz YHVUJWNLTKLGOW-UHFFFAOYSA-N 0 0 447.541 5.843 50 0 IKAARN COc1ccc(-c2n[nH]c3ccc(Nc4cc(-c5ccccc5)nc(SC)n4)cc32)cc1 ZINC000041181221 523179289 /nfs/dbraw/zinc/17/92/89/523179289.db2.gz UVXNCHMAXPFWRO-UHFFFAOYSA-N 0 0 439.544 6.161 50 0 IKAARN CCn1c(CCc2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)nc2ccccc21 ZINC000015863666 523182158 /nfs/dbraw/zinc/18/21/58/523182158.db2.gz GOLZYXDMEOWSGL-UHFFFAOYSA-N 0 0 429.520 5.111 50 0 IKAARN CCn1c(CCc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)nc2ccccc21 ZINC000021664254 523182215 /nfs/dbraw/zinc/18/22/15/523182215.db2.gz IANJUMHFQNBJJB-UHFFFAOYSA-N 0 0 447.604 5.567 50 0 IKAARN COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263586533 523185974 /nfs/dbraw/zinc/18/59/74/523185974.db2.gz VJQIPXUAZVRXQU-NRFANRHFSA-N 0 0 448.526 5.562 50 0 biogenic IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000012886474 523193122 /nfs/dbraw/zinc/19/31/22/523193122.db2.gz QFMXFIRLVNOTIR-FQEVSTJZSA-N 0 0 426.925 5.062 50 0 IKAARN COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)s2)cc1 ZINC000012555335 523193506 /nfs/dbraw/zinc/19/35/06/523193506.db2.gz CQEBRYSXVVSCJB-UHFFFAOYSA-N 0 0 441.984 5.051 50 0 IKAARN CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000012323710 523202294 /nfs/dbraw/zinc/20/22/94/523202294.db2.gz JYYUNCWBNQBNHF-UHFFFAOYSA-N 0 0 447.564 5.016 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(-c4cccc(Cl)c4)o3)cs2)cc1OC ZINC000021548445 523213515 /nfs/dbraw/zinc/21/35/15/523213515.db2.gz BWSNYFHMXODUTP-UHFFFAOYSA-N 0 0 445.953 5.823 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012801996 523215822 /nfs/dbraw/zinc/21/58/22/523215822.db2.gz MEHCCIIXTXVTTH-UHFFFAOYSA-N 0 0 429.467 5.302 50 0 IKAARN COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)NC3CCCCC3)cc21 ZINC000033278537 523215689 /nfs/dbraw/zinc/21/56/89/523215689.db2.gz YVJOBXVSLWIHSH-UHFFFAOYSA-N 0 0 447.535 5.216 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000033129211 523218032 /nfs/dbraw/zinc/21/80/32/523218032.db2.gz HLLXBBPYRXDNEO-UHFFFAOYSA-N 0 0 427.460 5.098 50 0 IKAARN CCn1c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)nnc1C1CC1 ZINC000012735121 523221109 /nfs/dbraw/zinc/22/11/09/523221109.db2.gz WQKSUNBTXRBLQA-LJQANCHMSA-N 0 0 436.606 5.148 50 0 IKAARN CCn1c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1C ZINC000012931891 523223170 /nfs/dbraw/zinc/22/31/70/523223170.db2.gz SITUAENKSZHBQG-SELVFMLMSA-N 0 0 438.641 5.087 50 0 IKAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5Br)c4ncn3n2)cc1 ZINC000021801656 523225636 /nfs/dbraw/zinc/22/56/36/523225636.db2.gz GMRUJTDJOJPUBX-UHFFFAOYSA-N 0 0 448.324 5.123 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000016023541 523226355 /nfs/dbraw/zinc/22/63/55/523226355.db2.gz DSLHWSAFYRKAMW-UHFFFAOYSA-N 0 0 449.363 5.205 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1Cl ZINC000000681339 523228048 /nfs/dbraw/zinc/22/80/48/523228048.db2.gz YPYRXPBAZOLUCT-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1C ZINC000012778678 523228954 /nfs/dbraw/zinc/22/89/54/523228954.db2.gz BDWRLHOQURZHPX-UHFFFAOYSA-N 0 0 442.588 5.595 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(C)c1 ZINC000016960916 523230506 /nfs/dbraw/zinc/23/05/06/523230506.db2.gz MHNXXXYYWHVDKI-UHFFFAOYSA-N 0 0 428.561 5.671 50 0 IKAARN COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N3CCCC[C@@H]3C)n2)cc1 ZINC000035988088 523236589 /nfs/dbraw/zinc/23/65/89/523236589.db2.gz GGSGCSCFOPWRAK-OALUTQOASA-N 0 0 430.552 5.022 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(F)cc3F)c3c2cnc2cc(OC)c(OC)cc32)cc1 ZINC000021017693 523239051 /nfs/dbraw/zinc/23/90/51/523239051.db2.gz FKMYGFRBRKIODA-UHFFFAOYSA-N 0 0 447.441 5.545 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2cc(OC)c(OC)cc32)cc1 ZINC000021017705 523239890 /nfs/dbraw/zinc/23/98/90/523239890.db2.gz NYTIWCKMFGEZEJ-UHFFFAOYSA-N 0 0 425.488 5.575 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)OCC(=O)c2cccs2)cc1 ZINC000033892973 523241321 /nfs/dbraw/zinc/24/13/21/523241321.db2.gz ACQRMXKNGHBRCH-KAMYIIQDSA-N 0 0 444.512 5.049 50 0 IKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4cccc(OC)c4)n3)o2)cc1 ZINC000035446330 523252712 /nfs/dbraw/zinc/25/27/12/523252712.db2.gz TZNWKRHKOPOBTJ-UHFFFAOYSA-N 0 0 425.448 5.108 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000012784395 523256503 /nfs/dbraw/zinc/25/65/03/523256503.db2.gz XJLKUMNLQWOWAE-GHTZIAJQSA-N 0 0 444.645 5.442 50 0 IKAARN CCn1c2cc(NC(=O)Nc3cccc(C)c3C)c(N3CCCCC3)cc2n(CC)c1=O ZINC000020991686 523257666 /nfs/dbraw/zinc/25/76/66/523257666.db2.gz DRZJDNQGLWEYAQ-UHFFFAOYSA-N 0 0 435.572 5.094 50 0 IKAARN COc1ccc(-c2nnc(SCc3csc(-c4ccc(C(F)(F)F)cc4)n3)o2)cc1 ZINC000012777632 523265171 /nfs/dbraw/zinc/26/51/71/523265171.db2.gz LAFYWJDIMPEKQD-UHFFFAOYSA-N 0 0 449.479 6.180 50 0 IKAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1 ZINC000036032147 523265895 /nfs/dbraw/zinc/26/58/95/523265895.db2.gz FEBWKXARPIILSQ-UHFFFAOYSA-N 0 0 430.957 5.054 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000013943746 523274330 /nfs/dbraw/zinc/27/43/30/523274330.db2.gz MVZJFGJGPAVLDT-UHFFFAOYSA-N 0 0 449.938 5.370 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cc(C)cc(C)c3)n2)cc1 ZINC000022460634 523275671 /nfs/dbraw/zinc/27/56/71/523275671.db2.gz QKWAAKIZFGBDRX-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000022461004 523276595 /nfs/dbraw/zinc/27/65/95/523276595.db2.gz AWIGJKVFHDPNQZ-UHFFFAOYSA-N 0 0 449.894 5.392 50 0 IKAARN CCn1c2ccccc2c2cc(Nc3cc(C)nc4nc(-c5cccc(C)c5)nn43)ccc21 ZINC000021089416 523277386 /nfs/dbraw/zinc/27/73/86/523277386.db2.gz OZAUUDHDYOZSJA-UHFFFAOYSA-N 0 0 432.531 6.280 50 0 IKAARN COc1ccc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)c(OC)c1 ZINC000021730625 523278784 /nfs/dbraw/zinc/27/87/84/523278784.db2.gz WXEDBUXJQKIBQR-UHFFFAOYSA-N 0 0 443.528 6.248 50 0 IKAARN COc1ccc(-c2noc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)n2)cc1 ZINC000012654168 523284949 /nfs/dbraw/zinc/28/49/49/523284949.db2.gz JWRRQAGUNXNFJT-UHFFFAOYSA-N 0 0 440.931 5.765 50 0 IKAARN COc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)c(OC)c1 ZINC000033021924 523295012 /nfs/dbraw/zinc/29/50/12/523295012.db2.gz CFCVARAKXWDWMY-UHFFFAOYSA-N 0 0 440.912 5.157 50 0 IKAARN COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000035726455 523304588 /nfs/dbraw/zinc/30/45/88/523304588.db2.gz QZTLPNDLIZOCPC-HNNXBMFYSA-N 0 0 446.429 5.176 50 0 IKAARN COc1ccc(-c2ocnc2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC ZINC000021362630 523306416 /nfs/dbraw/zinc/30/64/16/523306416.db2.gz NEMNPELBMDWNAJ-UHFFFAOYSA-N 0 0 440.459 5.154 50 0 IKAARN COc1ccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)c(OC)c1 ZINC000020662629 523310534 /nfs/dbraw/zinc/31/05/34/523310534.db2.gz WJCYCVQSVDZKED-SAPNQHFASA-N 0 0 434.495 5.727 50 0 IKAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3c2=O)cc1 ZINC000022499142 523314350 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ZINC000012776102 523786644 /nfs/dbraw/zinc/78/66/44/523786644.db2.gz HQGLGFSTKWKDBP-UHFFFAOYSA-N 0 0 432.520 5.263 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000035910131 523800977 /nfs/dbraw/zinc/80/09/77/523800977.db2.gz HARHFTNQKCWDOV-WIOPSUGQSA-N 0 0 434.536 5.737 50 0 IKAARN CC[C@H](C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)cc2)cc1)c1ccccc1 ZINC000035912278 523801583 /nfs/dbraw/zinc/80/15/83/523801583.db2.gz XPRWARYBBWQWDB-JYFHCDHNSA-N 0 0 430.573 5.906 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C(=O)[C@H](C)O2)c1ccccc1 ZINC000035883549 523802938 /nfs/dbraw/zinc/80/29/38/523802938.db2.gz ILEZDFDPBYSRRA-CPJSRVTESA-N 0 0 442.559 5.171 50 0 IKAARN CC[C@H](C(=O)Nc1ccc2c(c1)CN([C@H](C)c1ccc(F)cc1)C(=O)CO2)c1ccccc1 ZINC000035909699 523803228 /nfs/dbraw/zinc/80/32/28/523803228.db2.gz VJUVKYARPMVAPK-KOSHJBKYSA-N 0 0 446.522 5.440 50 0 IKAARN CC[C@H](C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2C)c1)c1ccccc1 ZINC000035912224 523804866 /nfs/dbraw/zinc/80/48/66/523804866.db2.gz ZHZNGZUNQKBQIX-HOFKKMOUSA-N 0 0 444.600 6.214 50 0 IKAARN COc1ccc(C)cc1N(C(=O)CCc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000012781811 523817656 /nfs/dbraw/zinc/81/76/56/523817656.db2.gz YYKBAFJXOCRKRM-UHFFFAOYSA-N 0 0 446.528 5.640 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(C)c1 ZINC000021536737 523833107 /nfs/dbraw/zinc/83/31/07/523833107.db2.gz JXQHNQGPJIQMHJ-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc(C)cc1NC(=O)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020357197 523833522 /nfs/dbraw/zinc/83/35/22/523833522.db2.gz WMZIUEMMCLOTJO-OAQYLSRUSA-N 0 0 448.910 5.618 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1C ZINC000021536862 523833621 /nfs/dbraw/zinc/83/36/21/523833621.db2.gz NEWRVOUKLGMZHH-MHZLTWQESA-N 0 0 437.543 6.240 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 ZINC000012554268 523834157 /nfs/dbraw/zinc/83/41/57/523834157.db2.gz JGPPATIBWUUTPF-VWLOTQADSA-N 0 0 443.572 6.227 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 ZINC000012554269 523839235 /nfs/dbraw/zinc/83/92/35/523839235.db2.gz JGPPATIBWUUTPF-RUZDIDTESA-N 0 0 443.572 6.227 50 0 IKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1 ZINC000033050383 523839563 /nfs/dbraw/zinc/83/95/63/523839563.db2.gz GQFVWCINOPZRTJ-UHFFFAOYSA-N 0 0 439.943 5.632 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020606876 523840311 /nfs/dbraw/zinc/84/03/11/523840311.db2.gz MZCKNVDYZOGUJC-UHFFFAOYSA-N 0 0 431.439 5.675 50 0 IKAARN CCc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035477011 523843553 /nfs/dbraw/zinc/84/35/53/523843553.db2.gz SVLVUZYPNFACRW-JOCHJYFZSA-N 0 0 443.576 5.566 50 0 IKAARN CCc1cc2c(-c3nn4c(nnc4-c4ccc(Br)cc4)s3)csc2s1 ZINC000012377815 523843580 /nfs/dbraw/zinc/84/35/80/523843580.db2.gz SUKCZXGJQFDHPW-UHFFFAOYSA-N 0 0 447.408 6.121 50 0 IKAARN CCc1cc2c(-c3nn4c(nnc4-c4ccc(OC)c(OC)c4)s3)csc2s1 ZINC000012377814 523843901 /nfs/dbraw/zinc/84/39/01/523843901.db2.gz XIPCFCLQPFOTRV-UHFFFAOYSA-N 0 0 428.564 5.376 50 0 IKAARN CN(C(=O)C[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000012408609 523845148 /nfs/dbraw/zinc/84/51/48/523845148.db2.gz TULKOYIVOUPXHN-PZJWPPBQSA-N 0 0 434.407 6.126 50 0 IKAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccccc2)C3=O)s1 ZINC000021809970 523846727 /nfs/dbraw/zinc/84/67/27/523846727.db2.gz ICNGKUFKHHNRKO-AREMUKBSSA-N 0 0 449.620 5.129 50 0 IKAARN COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000012738704 523850625 /nfs/dbraw/zinc/85/06/25/523850625.db2.gz BPFAZPBQHQXHGR-HXUWFJFHSA-N 0 0 440.543 6.136 50 0 IKAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)oc4C)ccn3n2)cc1 ZINC000016840081 523855272 /nfs/dbraw/zinc/85/52/72/523855272.db2.gz AJHFVYIDEZLAOL-UHFFFAOYSA-N 0 0 444.922 5.391 50 0 IKAARN CCc1ccc(-c2nc(SCc3nnc(-c4ccccc4Br)o3)n[nH]2)cc1 ZINC000021635781 523859579 /nfs/dbraw/zinc/85/95/79/523859579.db2.gz SKBKOAMYWGFOAQ-UHFFFAOYSA-N 0 0 442.342 5.139 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000020996421 523861923 /nfs/dbraw/zinc/86/19/23/523861923.db2.gz KMUHIQYDZUGQCP-UHFFFAOYSA-N 0 0 434.543 6.069 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 ZINC000016162125 523868827 /nfs/dbraw/zinc/86/88/27/523868827.db2.gz SFMCPYQGNOPDBA-UHFFFAOYSA-N 0 0 432.527 6.211 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000239284715 523878160 /nfs/dbraw/zinc/87/81/60/523878160.db2.gz BYDOMPHLXADNNG-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccc(OC)c(F)c4)cs3)[C@H](c3ccco3)C2)cc1 ZINC000012420484 523878477 /nfs/dbraw/zinc/87/84/77/523878477.db2.gz URVOGWBFONYRKN-NRFANRHFSA-N 0 0 449.507 5.915 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000012195812 523878782 /nfs/dbraw/zinc/87/87/82/523878782.db2.gz NDOHUDLCAOTDRY-LADGPHEKSA-N 0 0 436.964 6.313 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000012197069 523879665 /nfs/dbraw/zinc/87/96/65/523879665.db2.gz IELBFTGGLDGNHY-ILBGXUMGSA-N 0 0 432.545 5.668 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000020738458 523879922 /nfs/dbraw/zinc/87/99/22/523879922.db2.gz BVXGXFUNTVZWCJ-RCZVLFRGSA-N 0 0 432.545 5.668 50 0 IKAARN COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(OC)c1 ZINC000012587776 523883915 /nfs/dbraw/zinc/88/39/15/523883915.db2.gz GSDWYTKKKRCBHS-UHFFFAOYSA-N 0 0 430.554 6.512 50 0 IKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000005950103 523888076 /nfs/dbraw/zinc/88/80/76/523888076.db2.gz TZJDGRGMAOTIFW-UHFFFAOYSA-N 0 0 435.936 5.837 50 0 IKAARN COCCN1c2ccc(NC(=O)c3cccc(Cl)c3)cc2Sc2ccccc2C1=O ZINC000021355308 523889039 /nfs/dbraw/zinc/88/90/39/523889039.db2.gz MTMPBPCKCFSLGD-UHFFFAOYSA-N 0 0 438.936 5.350 50 0 IKAARN COCCN1c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2Sc2ccccc2C1=O ZINC000021355429 523889265 /nfs/dbraw/zinc/88/92/65/523889265.db2.gz RZRLZHQBPXFOQP-UHFFFAOYSA-N 0 0 443.528 5.178 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(CC)c3)cc2)cc1 ZINC000035928740 523896140 /nfs/dbraw/zinc/89/61/40/523896140.db2.gz UXAZIBWKEBRHOF-AREMUKBSSA-N 0 0 430.573 5.842 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000035928465 523896171 /nfs/dbraw/zinc/89/61/71/523896171.db2.gz FYKMGZVIDICNRA-SANMLTNESA-N 0 0 445.588 5.346 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc4c(c3)OCO4)c2)cc1 ZINC000035927401 523896176 /nfs/dbraw/zinc/89/61/76/523896176.db2.gz YLEWPJNFWLQCEC-RUZDIDTESA-N 0 0 446.528 5.009 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(C)c3C)cc2)cc1 ZINC000035927178 523896506 /nfs/dbraw/zinc/89/65/06/523896506.db2.gz AJDSLHVFENBMKD-SANMLTNESA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(F)c3C)c2)cc1 ZINC000035927651 523896677 /nfs/dbraw/zinc/89/66/77/523896677.db2.gz LPWASYYKFKTIMO-RUZDIDTESA-N 0 0 434.536 5.727 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)cc1 ZINC000035912266 523896760 /nfs/dbraw/zinc/89/67/60/523896760.db2.gz DGWBXFKJQMNTER-AREMUKBSSA-N 0 0 430.573 5.897 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccccc2OC)cc1 ZINC000035925159 523897400 /nfs/dbraw/zinc/89/74/00/523897400.db2.gz MKGJBKVOAAWTNN-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccccc2OC)cc1 ZINC000035925160 523897615 /nfs/dbraw/zinc/89/76/15/523897615.db2.gz MKGJBKVOAAWTNN-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927592 523897866 /nfs/dbraw/zinc/89/78/66/523897866.db2.gz VXPBKMOJYTZCHO-MHZLTWQESA-N 0 0 444.600 6.403 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000033409268 523899234 /nfs/dbraw/zinc/89/92/34/523899234.db2.gz FKIFIQMUUXHKKI-VWLOTQADSA-N 0 0 444.550 5.422 50 0 IKAARN COCCNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768393 523899535 /nfs/dbraw/zinc/89/95/35/523899535.db2.gz ABAJUKRDDVKENN-DEOSSOPVSA-N 0 0 448.513 5.252 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000035768703 523900038 /nfs/dbraw/zinc/90/00/38/523900038.db2.gz IIYTYNLDJDSQPN-RUZDIDTESA-N 0 0 442.559 5.042 50 0 IKAARN COc1ccc(CCC(=O)NCc2cccnc2-c2ccco2)cc1OCc1ccccc1 ZINC000225660816 523923354 /nfs/dbraw/zinc/92/33/54/523923354.db2.gz WGMJNPRDKNAEGA-UHFFFAOYSA-N 0 0 442.515 5.178 50 0 IKAARN CC[C@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000035808186 523925345 /nfs/dbraw/zinc/92/53/45/523925345.db2.gz QUDPJQICXPAYPZ-SFHVURJKSA-N 0 0 446.632 5.788 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CCC1 ZINC000035976552 523940356 /nfs/dbraw/zinc/94/03/56/523940356.db2.gz AJZKIKOLHBMVTR-IBGZPJMESA-N 0 0 447.579 5.909 50 0 IKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1ccco1 ZINC000035970688 523940668 /nfs/dbraw/zinc/94/06/68/523940668.db2.gz IYCFAGLMJJCZAL-IBGZPJMESA-N 0 0 429.520 6.007 50 0 IKAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)CC)C(=O)c1ccccc1Cl ZINC000036009252 523941753 /nfs/dbraw/zinc/94/17/53/523941753.db2.gz PLCJEZAUDQPZQA-AWEZNQCLSA-N 0 0 444.380 5.163 50 0 IKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000020212746 523942813 /nfs/dbraw/zinc/94/28/13/523942813.db2.gz BFDBEXUNIZBYDD-INIZCTEOSA-N 0 0 433.543 6.678 50 0 IKAARN COc1ccc(CCN2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000020610085 523950320 /nfs/dbraw/zinc/95/03/20/523950320.db2.gz BYBPXSWPCHYVEN-UHFFFAOYSA-N 0 0 427.500 5.172 50 0 biogenic IKAARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2O[C@H](CC)C1=O ZINC000035873721 523961557 /nfs/dbraw/zinc/96/15/57/523961557.db2.gz JAJABULBUGRUER-ORAYPTAESA-N 0 0 435.351 5.544 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@H](CC)c3ccccc3)cc2)cc1 ZINC000035912422 523961884 /nfs/dbraw/zinc/96/18/84/523961884.db2.gz DXWQVPMBEQNACV-SHQCIBLASA-N 0 0 444.600 6.160 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000035912440 523962192 /nfs/dbraw/zinc/96/21/92/523962192.db2.gz GUUYSNCQXSBXCC-RUZDIDTESA-N 0 0 432.545 5.289 50 0 IKAARN CCc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902777 523963979 /nfs/dbraw/zinc/96/39/79/523963979.db2.gz HXESDQNPPKOFHD-HHHXNRCGSA-N 0 0 429.564 5.072 50 0 IKAARN COc1ccc(CCNC(=O)c2c(C)c3c(n2Cc2cccc(C)c2)CCCC3)cc1OC ZINC000033636452 523968234 /nfs/dbraw/zinc/96/82/34/523968234.db2.gz LIBQBZBNFDUEBV-UHFFFAOYSA-N 0 0 446.591 5.022 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3ccsc3n2[C@H](C)c2ccccc2)cc1OC ZINC000035843905 523969289 /nfs/dbraw/zinc/96/92/89/523969289.db2.gz ZDEKDRKXADYPRL-QGZVFWFLSA-N 0 0 434.561 5.302 50 0 IKAARN COc1ccc(CCNC(=O)c2cc3ccsc3n2Cc2cccc(C)c2)cc1OC ZINC000035843833 523969510 /nfs/dbraw/zinc/96/95/10/523969510.db2.gz VEQZDJBVCAWZPS-UHFFFAOYSA-N 0 0 434.561 5.049 50 0 IKAARN CCc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccc(OC)cc3)CC2=O)cc1 ZINC000020355829 523973305 /nfs/dbraw/zinc/97/33/05/523973305.db2.gz NFGKZVBOUZOQRX-DEOSSOPVSA-N 0 0 446.572 5.466 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc1 ZINC000015979627 523974545 /nfs/dbraw/zinc/97/45/45/523974545.db2.gz YAYHPNOFUGOPJJ-UHFFFAOYSA-N 0 0 425.579 5.076 50 0 IKAARN CC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C)c1 ZINC000034889651 523976016 /nfs/dbraw/zinc/97/60/16/523976016.db2.gz VMQTUZXKXYAMLD-LVXARBLLSA-N 0 0 442.578 6.574 50 0 IKAARN COc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000041098051 523979309 /nfs/dbraw/zinc/97/93/09/523979309.db2.gz CNYWHNQOSXZMSM-UHFFFAOYSA-N 0 0 434.543 6.059 50 0 IKAARN CCc1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)cc1 ZINC000034927425 523979401 /nfs/dbraw/zinc/97/94/01/523979401.db2.gz WKNCOWYYDDKUAU-UHFFFAOYSA-N 0 0 429.973 5.006 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033035540 523980432 /nfs/dbraw/zinc/98/04/32/523980432.db2.gz HFNOOQCFSSEBLM-DEOSSOPVSA-N 0 0 447.623 6.113 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000015725441 523982677 /nfs/dbraw/zinc/98/26/77/523982677.db2.gz VBMTUBKNXJLLTO-MHZLTWQESA-N 0 0 439.559 6.227 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015732139 523983534 /nfs/dbraw/zinc/98/35/34/523983534.db2.gz PANFRPHJWUZVPH-GDLZYMKVSA-N 0 0 449.598 7.300 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000021893549 523983812 /nfs/dbraw/zinc/98/38/12/523983812.db2.gz RFTCEEMCBBHPQG-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000021536049 523983825 /nfs/dbraw/zinc/98/38/25/523983825.db2.gz KNRZFVPKHYDXAT-AREMUKBSSA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(CC)cc2)cc1 ZINC000021536667 523984014 /nfs/dbraw/zinc/98/40/14/523984014.db2.gz PRMOFQSEKQKHIM-MUUNZHRXSA-N 0 0 435.571 6.739 50 0 IKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000021893807 523984043 /nfs/dbraw/zinc/98/40/43/523984043.db2.gz WRJKIVRFIVGJMM-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN COc1ccc(CN(C(=O)CC2CCCC2)C2CCCC2)cc1OCc1cccs1 ZINC000012134529 523987182 /nfs/dbraw/zinc/98/71/82/523987182.db2.gz CZGKEDIZJOZROZ-UHFFFAOYSA-N 0 0 427.610 6.187 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000012623637 523990365 /nfs/dbraw/zinc/99/03/65/523990365.db2.gz XOVVONPDTGRRNL-KRWDZBQOSA-N 0 0 437.923 5.665 50 0 IKAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 ZINC000012624873 523990439 /nfs/dbraw/zinc/99/04/39/523990439.db2.gz DAGUFHAEYSXVRN-AWEZNQCLSA-N 0 0 436.558 5.771 50 0 IKAARN CCc1ccc(N[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(SC)cc2)cc1 ZINC000012413405 523996646 /nfs/dbraw/zinc/99/66/46/523996646.db2.gz GHPPBEQDNXYZNH-AREMUKBSSA-N 0 0 431.645 7.695 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732258 523997698 /nfs/dbraw/zinc/99/76/98/523997698.db2.gz ISJFROQONCIZMI-UBYGEMSKSA-N 0 0 440.543 5.490 50 0 IKAARN CCc1ccc(OCc2nnc(S[C@@H]3CCCCC3=O)n2[C@H](C)c2ccccc2)cc1 ZINC000013121236 524008178 /nfs/dbraw/zinc/00/81/78/524008178.db2.gz FCDYBSRFBNFXOQ-WZONZLPQSA-N 0 0 435.593 5.633 50 0 IKAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)cc1 ZINC000001142478 524008332 /nfs/dbraw/zinc/00/83/32/524008332.db2.gz HSYGUOHIKRDAKO-OAHLLOKOSA-N 0 0 444.988 5.210 50 0 IKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)CCCOc1ccc(C)cc1C ZINC000021785472 524023678 /nfs/dbraw/zinc/02/36/78/524023678.db2.gz XHELPAAPKUZFAJ-UHFFFAOYSA-N 0 0 429.563 5.678 50 0 IKAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000012649196 524023763 /nfs/dbraw/zinc/02/37/63/524023763.db2.gz YMNQCIVONOLVLH-UHFFFAOYSA-N 0 0 448.569 5.789 50 0 IKAARN CN1c2ccccc2C=C/C1=C\C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000012524301 524035310 /nfs/dbraw/zinc/03/53/10/524035310.db2.gz VZARTKFEXIFBGZ-KNTRCKAVSA-N 0 0 449.604 7.385 50 0 IKAARN CCc1ccc([C@@H]2CN3C(=O)N(c4ccccc4C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012876874 524038632 /nfs/dbraw/zinc/03/86/32/524038632.db2.gz PZGMZQFZHJRMHT-ZTOMLWHTSA-N 0 0 449.554 5.868 50 0 biogenic IKAARN CCc1ccc([C@@H]2CN3C(=O)N(c4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012875735 524039023 /nfs/dbraw/zinc/03/90/23/524039023.db2.gz SFNMXDYNIOAOPP-DWACAAAGSA-N 0 0 435.527 5.560 50 0 biogenic IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021893090 524040976 /nfs/dbraw/zinc/04/09/76/524040976.db2.gz HSDSZKGSFYNFSJ-AREMUKBSSA-N 0 0 425.507 6.316 50 0 IKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000021892971 524041336 /nfs/dbraw/zinc/04/13/36/524041336.db2.gz HKXPVNXOUDUUMH-MUUNZHRXSA-N 0 0 435.571 6.794 50 0 IKAARN COc1ccc(CN2c3sc4c(c3C(=O)N[C@@H]2c2ccc(C)cc2)CCCC4)cc1OC ZINC000021147822 524043660 /nfs/dbraw/zinc/04/36/60/524043660.db2.gz PMTPUCMPEATYJY-DEOSSOPVSA-N 0 0 448.588 5.401 50 0 IKAARN CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 ZINC000012848501 524056158 /nfs/dbraw/zinc/05/61/58/524056158.db2.gz CSLZLCJYCQWQSN-RTWAWAEBSA-N 0 0 442.485 5.921 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021536682 524056705 /nfs/dbraw/zinc/05/67/05/524056705.db2.gz ZSIQPFUIXRRQHB-SANMLTNESA-N 0 0 443.497 6.455 50 0 IKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021536669 524056893 /nfs/dbraw/zinc/05/68/93/524056893.db2.gz QUEOHDVALNFYAD-SANMLTNESA-N 0 0 441.962 6.830 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000020807956 524060712 /nfs/dbraw/zinc/06/07/12/524060712.db2.gz RCOFEORHGDDHDL-DTQAZKPQSA-N 0 0 448.522 7.278 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1 ZINC000012276392 524063797 /nfs/dbraw/zinc/06/37/97/524063797.db2.gz UAOXAWRIMBAAGP-UHFFFAOYSA-N 0 0 447.604 5.861 50 0 IKAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000020904318 524064736 /nfs/dbraw/zinc/06/47/36/524064736.db2.gz XZVLZORVPNJPLM-BJKOFHAPSA-N 0 0 448.588 5.010 50 0 IKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000017099436 524065406 /nfs/dbraw/zinc/06/54/06/524065406.db2.gz WSWBONYBVHWBOQ-UHFFFAOYSA-N 0 0 435.354 7.332 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000022528911 524065412 /nfs/dbraw/zinc/06/54/12/524065412.db2.gz WDAXBIFOKVOIOZ-GOSISDBHSA-N 0 0 449.645 6.486 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000022528919 524065456 /nfs/dbraw/zinc/06/54/56/524065456.db2.gz WDAXBIFOKVOIOZ-SFHVURJKSA-N 0 0 449.645 6.486 50 0 IKAARN COc1ccc(CNC(=O)c2cc(OCc3ccc(C)cc3)nc3ccccc32)cc1OC ZINC000021094452 524065835 /nfs/dbraw/zinc/06/58/35/524065835.db2.gz YSMWDNSKNGHTQA-UHFFFAOYSA-N 0 0 442.515 5.069 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(C)c2)S3)cc1 ZINC000020355273 524066912 /nfs/dbraw/zinc/06/69/12/524066912.db2.gz WZTOKYFHBUWXLH-YDZHTSKRSA-N 0 0 430.529 5.019 50 0 IKAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000020605409 524067409 /nfs/dbraw/zinc/06/74/09/524067409.db2.gz SORFJYZPEWTZGT-UHFFFAOYSA-N 0 0 444.398 5.490 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035928748 524071351 /nfs/dbraw/zinc/07/13/51/524071351.db2.gz QASQHQZNRCKNEB-DEOSSOPVSA-N 0 0 436.964 5.933 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000035928718 524071402 /nfs/dbraw/zinc/07/14/02/524071402.db2.gz OZKDRUJMIQDARF-SANMLTNESA-N 0 0 430.573 5.599 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@H](CC)c3ccccc3)c2)c1 ZINC000035928777 524071432 /nfs/dbraw/zinc/07/14/32/524071432.db2.gz QVGHKYPBFWMPRT-SQHAQQRYSA-N 0 0 444.600 6.160 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)[C@H](CC)c3ccccc3)cc2)c1 ZINC000035928725 524071480 /nfs/dbraw/zinc/07/14/80/524071480.db2.gz GMGIGSLMJCFHQS-SHQCIBLASA-N 0 0 444.600 6.160 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(OC)cc3)c2)c1 ZINC000035928746 524071498 /nfs/dbraw/zinc/07/14/98/524071498.db2.gz HTFZNIUIAXOVKR-VWLOTQADSA-N 0 0 432.545 5.289 50 0 IKAARN Cc1ccc(C)c(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023456734 524084434 /nfs/dbraw/zinc/08/44/34/524084434.db2.gz SMNOPKMRJRIJQB-UHFFFAOYSA-N 0 0 427.523 5.937 50 0 IKAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 ZINC000013145838 524089194 /nfs/dbraw/zinc/08/91/94/524089194.db2.gz IUKLVEXLSTZUQX-IRXDYDNUSA-N 0 0 427.595 5.166 50 0 IKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)[C@H]3C[C@@H]3c3ccccc3)nc2c1 ZINC000023452286 524094285 /nfs/dbraw/zinc/09/42/85/524094285.db2.gz CZCQLXKWLIFZLG-RTWAWAEBSA-N 0 0 432.470 5.747 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4F)n3)nc2c1 ZINC000021721446 524095996 /nfs/dbraw/zinc/09/59/96/524095996.db2.gz ZTRIQIBGZOZNBZ-UHFFFAOYSA-N 0 0 446.891 5.175 50 0 IKAARN COc1ccc(CNc2c3ccccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020382546 524097318 /nfs/dbraw/zinc/09/73/18/524097318.db2.gz LSPLEXSVSDGBJP-UHFFFAOYSA-N 0 0 438.936 5.342 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cccc5ccccc54)n3)nc2c1 ZINC000021721420 524098601 /nfs/dbraw/zinc/09/86/01/524098601.db2.gz LGVPHTPFYMWDEM-UHFFFAOYSA-N 0 0 444.516 5.536 50 0 IKAARN Cc1ccc2occ(-c3cc(-c4ccccc4)nc4c3COc3ccc(F)cc3-4)c(=O)c2c1 ZINC000020847528 524099190 /nfs/dbraw/zinc/09/91/90/524099190.db2.gz BGHIBOCKWWCLRQ-UHFFFAOYSA-N 0 0 435.454 6.529 50 0 IKAARN Cc1ccc2occ(-c3cc(-c4ccc(F)cc4)nc4c3COc3ccccc3-4)c(=O)c2c1 ZINC000020847505 524099574 /nfs/dbraw/zinc/09/95/74/524099574.db2.gz QRKNPWAGABOREK-UHFFFAOYSA-N 0 0 435.454 6.529 50 0 IKAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C1 ZINC000012791376 524102288 /nfs/dbraw/zinc/10/22/88/524102288.db2.gz KKTXWHSTEFWTDB-KRWDZBQOSA-N 0 0 440.590 5.088 50 0 IKAARN COc1ccc(CNc2nc(C)c(-c3ccn(CCCc4cccc(C)n4)n3)s2)cc1 ZINC000012150762 524104778 /nfs/dbraw/zinc/10/47/78/524104778.db2.gz FDWDZOMQCQQKPY-UHFFFAOYSA-N 0 0 433.581 5.272 50 0 IKAARN Cc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3sc4c(c32)CC[C@@H](C)C4)c1 ZINC000015554642 524106087 /nfs/dbraw/zinc/10/60/87/524106087.db2.gz IVIQOFSNMZWABH-QGZVFWFLSA-N 0 0 447.625 6.467 50 0 IKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)CSc4ccncc4)CC3)cc2)c1 ZINC000012076574 524110376 /nfs/dbraw/zinc/11/03/76/524110376.db2.gz UQAQVOSYRVCXOY-UHFFFAOYSA-N 0 0 445.588 5.026 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012539672 524112590 /nfs/dbraw/zinc/11/25/90/524112590.db2.gz LDKLPIXRQCJNTJ-QFIPXVFZSA-N 0 0 427.523 5.357 50 0 IKAARN Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 ZINC000017096265 524114236 /nfs/dbraw/zinc/11/42/36/524114236.db2.gz UUUJJTBZFAWJOS-UHFFFAOYSA-N 0 0 429.007 7.769 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000012625363 524115191 /nfs/dbraw/zinc/11/51/91/524115191.db2.gz KMBZMONIWUFXNK-UHFFFAOYSA-N 0 0 448.523 5.164 50 0 IKAARN Cc1cccc(-c2nc(C)c(Cc3ccccc3)c(N3CCN(C(=O)C(C)(C)C)CC3)n2)c1 ZINC000035889802 524118760 /nfs/dbraw/zinc/11/87/60/524118760.db2.gz GUBHPVAIAMIHNI-UHFFFAOYSA-N 0 0 442.607 5.046 50 0 IKAARN Cc1cccc(-c2nc(CSc3nc(=O)c4c5c(sc4[nH]3)CCCC5)cs2)c1 ZINC000017094582 524119346 /nfs/dbraw/zinc/11/93/46/524119346.db2.gz QBVXAFFORGVMMP-UHFFFAOYSA-N 0 0 425.604 5.588 50 0 IKAARN C[C@H](CCC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000022339517 524120547 /nfs/dbraw/zinc/12/05/47/524120547.db2.gz DPUXJIYWJJPISL-LLVKDONJSA-N 0 0 448.177 6.684 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000015672662 524120982 /nfs/dbraw/zinc/12/09/82/524120982.db2.gz AQAJTWDTAHUYGH-BNJIMDBKSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017094314 524121889 /nfs/dbraw/zinc/12/18/89/524121889.db2.gz ASQCSUSBOPQOLK-UHFFFAOYSA-N 0 0 425.334 7.328 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000015672444 524122495 /nfs/dbraw/zinc/12/24/95/524122495.db2.gz BGTHBSWACSICFU-GTIOVZTQSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000012871931 524125271 /nfs/dbraw/zinc/12/52/71/524125271.db2.gz RNIOYLWECOGFDE-CYBMUJFWSA-N 0 0 435.380 5.117 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccccc3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035523751 524125646 /nfs/dbraw/zinc/12/56/46/524125646.db2.gz BGAYPHTZXDVCOJ-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035840253 524129077 /nfs/dbraw/zinc/12/90/77/524129077.db2.gz DSYLQYPLKUQBNO-UHFFFAOYSA-N 0 0 432.332 6.135 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 ZINC000000863706 524138698 /nfs/dbraw/zinc/13/86/98/524138698.db2.gz XQXWQLBFCZCOMN-UHFFFAOYSA-N 0 0 428.561 5.206 50 0 IKAARN Cc1ccc(C)c(NC(=O)Cn2c3cc(C)ccc3cc(CNc3ccccc3)c2=O)c1 ZINC000020940081 524140089 /nfs/dbraw/zinc/14/00/89/524140089.db2.gz YHOUVWHZRYJCRP-UHFFFAOYSA-N 0 0 425.532 5.178 50 0 IKAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000012622530 524139971 /nfs/dbraw/zinc/13/99/71/524139971.db2.gz QPARMPLJQRDBGR-UHFFFAOYSA-N 0 0 429.589 5.863 50 0 IKAARN Cc1cccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2F)c1 ZINC000035848755 524140662 /nfs/dbraw/zinc/14/06/62/524140662.db2.gz ARPGGRXHIZTLKF-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN Cc1cccc(-n2nc3nc(NCc4ccccc4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000035925720 524146875 /nfs/dbraw/zinc/14/68/75/524146875.db2.gz FWUROCZSGOFKPY-UHFFFAOYSA-N 0 0 440.938 5.639 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000021893574 524147123 /nfs/dbraw/zinc/14/71/23/524147123.db2.gz KPPVGTVBJJBVLL-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)c1 ZINC000021893839 524147715 /nfs/dbraw/zinc/14/77/15/524147715.db2.gz STOXJOPRBJEBLY-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000021536124 524147991 /nfs/dbraw/zinc/14/79/91/524147991.db2.gz QRLNDDFITLQJAC-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2-c2cccc(Cl)c2)c2ccccc2)c1 ZINC000012811182 524155770 /nfs/dbraw/zinc/15/57/70/524155770.db2.gz XRROKZQWYKDQCT-OAQYLSRUSA-N 0 0 449.967 5.405 50 0 IKAARN COc1ccc(C[C@H](NC(=O)Cc2csc(-c3ccco3)n2)c2ccc(OC)cc2)cc1 ZINC000022965701 524156226 /nfs/dbraw/zinc/15/62/26/524156226.db2.gz FJTDFJOQJYSDEC-QFIPXVFZSA-N 0 0 448.544 5.063 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000017026423 524159219 /nfs/dbraw/zinc/15/92/19/524159219.db2.gz FPHFYWQUGVCHMZ-UHFFFAOYSA-N 0 0 448.526 5.056 50 0 IKAARN COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)Nc4cccc(C)c4)s3)c2C)cc1 ZINC000033000037 524161985 /nfs/dbraw/zinc/16/19/85/524161985.db2.gz BLMBFCWJDXSEKC-UHFFFAOYSA-N 0 0 446.576 5.414 50 0 IKAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021161989 524165462 /nfs/dbraw/zinc/16/54/62/524165462.db2.gz QKLFCQZCEIIPEH-AUSIDOKSSA-N 0 0 448.586 5.135 50 0 IKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)NC(C)C)ccc2N(C)C)[C@H](C)C(C)C)c1 ZINC000035946393 524166004 /nfs/dbraw/zinc/16/60/04/524166004.db2.gz GAZLFKMJTNHDKJ-HXUWFJFHSA-N 0 0 438.616 5.278 50 0 IKAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(Cl)s4)cc3o2)cc1OC ZINC000012835371 524166431 /nfs/dbraw/zinc/16/64/31/524166431.db2.gz DYIMRIOHZSNGOE-UHFFFAOYSA-N 0 0 442.924 5.081 50 0 IKAARN COc1cccc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)c1 ZINC000021728782 524172624 /nfs/dbraw/zinc/17/26/24/524172624.db2.gz GOVFAYUEPMLQIQ-OAQYLSRUSA-N 0 0 429.907 5.675 50 0 IKAARN COc1cccc([C@H]2CCCN2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012761993 524177299 /nfs/dbraw/zinc/17/72/99/524177299.db2.gz CWGBUZYNHAODOK-HXUWFJFHSA-N 0 0 426.900 5.378 50 0 IKAARN C[C@@H](C(=O)NCCC1=CCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562066 524179671 /nfs/dbraw/zinc/17/96/71/524179671.db2.gz MDJLNNIORVBDDO-QGZVFWFLSA-N 0 0 442.003 5.316 50 0 IKAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000020737753 524185246 /nfs/dbraw/zinc/18/52/46/524185246.db2.gz AVZJHTVFZSZDQU-KRWDZBQOSA-N 0 0 431.279 5.037 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022646553 524187631 /nfs/dbraw/zinc/18/76/31/524187631.db2.gz LWYWNASYORPIEM-UHFFFAOYSA-N 0 0 425.516 5.356 50 0 IKAARN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)Cc1ccsc1)C2 ZINC000012331795 524188013 /nfs/dbraw/zinc/18/80/13/524188013.db2.gz ZVORZECUJRZVKR-UHFFFAOYSA-N 0 0 443.952 5.049 50 0 IKAARN COc1ccc(Cl)cc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000012136167 524210947 /nfs/dbraw/zinc/21/09/47/524210947.db2.gz JDWVURRSYYAUCI-UHFFFAOYSA-N 0 0 443.016 5.267 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 ZINC000021784336 524211513 /nfs/dbraw/zinc/21/15/13/524211513.db2.gz JYTCASUWZREIDZ-QGZVFWFLSA-N 0 0 425.941 5.219 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N(C)c4ccccc4)sc3c2)c1 ZINC000020894849 524217492 /nfs/dbraw/zinc/21/74/92/524217492.db2.gz MWYNYQGCZNFJGF-UHFFFAOYSA-N 0 0 447.585 5.612 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccccc2SC)C1 ZINC000012718685 524222703 /nfs/dbraw/zinc/22/27/03/524222703.db2.gz YMSPRFKEWYCGDV-MRXNPFEDSA-N 0 0 447.000 5.342 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12 ZINC000035446773 524234124 /nfs/dbraw/zinc/23/41/24/524234124.db2.gz YMAXTEXRHHPXNL-UHFFFAOYSA-N 0 0 436.943 5.396 50 0 biogenic IKAARN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2S1 ZINC000017525466 524234251 /nfs/dbraw/zinc/23/42/51/524234251.db2.gz OUYYMYUADJOXNR-INIZCTEOSA-N 0 0 428.985 5.110 50 0 IKAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccc(F)c3)C2)cc1 ZINC000035473553 524234446 /nfs/dbraw/zinc/23/44/46/524234446.db2.gz PUJVTGPSVWRCJI-QFIPXVFZSA-N 0 0 438.449 5.248 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000012192769 524235167 /nfs/dbraw/zinc/23/51/67/524235167.db2.gz NBAXVZLVEBDJEJ-GHTZIAJQSA-N 0 0 425.351 6.061 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891221 524235583 /nfs/dbraw/zinc/23/55/83/524235583.db2.gz YSZAXVFTFMNFMY-QHCPKHFHSA-N 0 0 449.963 6.338 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037017 524236466 /nfs/dbraw/zinc/23/64/66/524236466.db2.gz MPQGUFFCUIJKME-FQEVSTJZSA-N 0 0 434.883 5.310 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc4c(c3)OCO4)C2)cc1 ZINC000035508724 524236504 /nfs/dbraw/zinc/23/65/04/524236504.db2.gz QFNAOCGIVGAINV-UHFFFAOYSA-N 0 0 443.528 5.650 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000012601056 524241748 /nfs/dbraw/zinc/24/17/48/524241748.db2.gz LNAQAWGSEDGDOW-OAQYLSRUSA-N 0 0 443.616 5.509 50 0 IKAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C1 ZINC000012791371 524242669 /nfs/dbraw/zinc/24/26/69/524242669.db2.gz KKTXWHSTEFWTDB-QGZVFWFLSA-N 0 0 440.590 5.088 50 0 IKAARN COc1cccc2c1O[C@H](c1ccc(C(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000012193316 524246490 /nfs/dbraw/zinc/24/64/90/524246490.db2.gz MASKWKLWSWQJQG-ZEQKJWHPSA-N 0 0 432.951 6.714 50 0 IKAARN C[C@@H]1CCCN(c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)C1 ZINC000023328988 524247187 /nfs/dbraw/zinc/24/71/87/524247187.db2.gz DIUBNEZPEZEKEU-OAQYLSRUSA-N 0 0 427.592 5.566 50 0 IKAARN Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1C ZINC000012798630 524247425 /nfs/dbraw/zinc/24/74/25/524247425.db2.gz KCHNSDJJNNYDCN-UHFFFAOYSA-N 0 0 442.588 5.597 50 0 IKAARN COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)NCc3cccs3)s1)C2 ZINC000020985599 524249301 /nfs/dbraw/zinc/24/93/01/524249301.db2.gz JBDWCYYSGVWBQU-UHFFFAOYSA-N 0 0 449.557 5.587 50 0 IKAARN COc1cccc2cc(-c3csc(NC(=O)c4ccc(Br)s4)n3)oc21 ZINC000016960801 524255930 /nfs/dbraw/zinc/25/59/30/524255930.db2.gz NMFUGTACRYQPRJ-UHFFFAOYSA-N 0 0 435.324 5.641 50 0 IKAARN COc1ccccc1-c1cc(C(F)F)c2c(=O)[nH]c(=S)n(-c3cccc(C)c3C)c2n1 ZINC000020605602 524267942 /nfs/dbraw/zinc/26/79/42/524267942.db2.gz DQQKPLNVVXAWIN-UHFFFAOYSA-N 0 0 439.487 5.673 50 0 IKAARN COc1ccc(F)c(-c2nc(CN3CCCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)c1 ZINC000012306503 524268852 /nfs/dbraw/zinc/26/88/52/524268852.db2.gz PTRLITVQCMQITQ-QFIPXVFZSA-N 0 0 438.478 5.540 50 0 IKAARN COc1ccccc1-c1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000021944936 524269104 /nfs/dbraw/zinc/26/91/04/524269104.db2.gz OLNKCSSGQNRYAP-UHFFFAOYSA-N 0 0 433.895 5.219 50 0 IKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)CCc3ccccc3)nc2c1 ZINC000034908430 524271650 /nfs/dbraw/zinc/27/16/50/524271650.db2.gz AGSXCMGBGYIEPR-QHCPKHFHSA-N 0 0 426.516 5.800 50 0 IKAARN COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3Cl)c2)no1 ZINC000033327368 524277726 /nfs/dbraw/zinc/27/77/26/524277726.db2.gz ZUEMARNAKSIZLK-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c(C)c1 ZINC000021721587 524280865 /nfs/dbraw/zinc/28/08/65/524280865.db2.gz WPFVEFYJDLTSJS-UHFFFAOYSA-N 0 0 438.578 5.468 50 0 IKAARN Cc1cc(C)c(NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)c(C)c1 ZINC000020415079 524281380 /nfs/dbraw/zinc/28/13/80/524281380.db2.gz JOJUMHUXUUZDHP-UHFFFAOYSA-N 0 0 448.567 5.764 50 0 IKAARN COc1ccccc1-c1nc2ccccc2n1-c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000012573133 524281908 /nfs/dbraw/zinc/28/19/08/524281908.db2.gz SRGIQHDOTLMDEV-UHFFFAOYSA-N 0 0 442.522 6.554 50 0 IKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 ZINC000012781675 524282676 /nfs/dbraw/zinc/28/26/76/524282676.db2.gz FGKNKXYEEIDHSI-UHFFFAOYSA-N 0 0 445.346 5.889 50 0 IKAARN Cc1ccc(CCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1Cl ZINC000012777776 524283363 /nfs/dbraw/zinc/28/33/63/524283363.db2.gz CGUDYPDEMLJTJE-UHFFFAOYSA-N 0 0 445.950 5.047 50 0 IKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000020536298 524286019 /nfs/dbraw/zinc/28/60/19/524286019.db2.gz YCZOTNUNNHVDSZ-QFIPXVFZSA-N 0 0 430.523 6.236 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000012598913 524287141 /nfs/dbraw/zinc/28/71/41/524287141.db2.gz UOQOAZDREOLCDO-YADHBBJMSA-N 0 0 429.564 5.259 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)o1 ZINC000012811383 524288556 /nfs/dbraw/zinc/28/85/56/524288556.db2.gz NFGPPVTZQMVMBB-UHFFFAOYSA-N 0 0 443.528 5.301 50 0 IKAARN Cc1cc(C)c(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c(C)c1 ZINC000021147605 524289019 /nfs/dbraw/zinc/28/90/19/524289019.db2.gz OZBSNZITPLZSDF-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c(C)c1 ZINC000036772884 524290793 /nfs/dbraw/zinc/29/07/93/524290793.db2.gz RHDXECWHDDXHTM-UHFFFAOYSA-N 0 0 436.027 5.973 50 0 IKAARN Cc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c(C)c1 ZINC000021042966 524292070 /nfs/dbraw/zinc/29/20/70/524292070.db2.gz LKJCANLRJZZOSH-UHFFFAOYSA-N 0 0 449.913 5.420 50 0 IKAARN Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c(C)c1 ZINC000015880665 524292785 /nfs/dbraw/zinc/29/27/85/524292785.db2.gz GMIBJJLQQPTKBQ-UHFFFAOYSA-N 0 0 428.945 5.547 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000012630747 524297745 /nfs/dbraw/zinc/29/77/45/524297745.db2.gz FHPDPEHHEUNAFU-SANMLTNESA-N 0 0 430.573 5.372 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1c(C)c(C)c(C(=O)Nc2c(C)cccc2C)c(C)c1C ZINC000016362313 524297863 /nfs/dbraw/zinc/29/78/63/524297863.db2.gz MYFVRSWHODRJHY-UHFFFAOYSA-N 0 0 428.576 6.659 50 0 IKAARN COc1ccccc1-n1c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615624 524301565 /nfs/dbraw/zinc/30/15/65/524301565.db2.gz SWFPVZKWTWTWSA-UHFFFAOYSA-N 0 0 439.487 5.673 50 0 IKAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)c(C)c1 ZINC000012790040 524303320 /nfs/dbraw/zinc/30/33/20/524303320.db2.gz KTPZCWCKBRGYBV-AWEZNQCLSA-N 0 0 446.370 5.544 50 0 IKAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(Cl)c1 ZINC000014669614 524303331 /nfs/dbraw/zinc/30/33/31/524303331.db2.gz FFHQGHVHBYTSAB-UHFFFAOYSA-N 0 0 441.380 5.037 50 0 IKAARN Cc1cccc(C)c1Nc1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2cnccn21 ZINC000035622671 524303813 /nfs/dbraw/zinc/30/38/13/524303813.db2.gz PKAVFEVICNJYEB-UHFFFAOYSA-N 0 0 442.607 7.057 50 0 IKAARN Cc1cccc(C)c1Nc1c(-c2ccc(N(C)C)cc2)nc2cnc(Br)cn21 ZINC000035511581 524304007 /nfs/dbraw/zinc/30/40/07/524304007.db2.gz BLYYCQQJCWIMDV-UHFFFAOYSA-N 0 0 436.357 5.585 50 0 IKAARN Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)o1 ZINC000012273878 524305146 /nfs/dbraw/zinc/30/51/46/524305146.db2.gz HBYGCPMVSIYDCS-UHFFFAOYSA-N 0 0 428.863 5.879 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)[C@@H]1C ZINC000012660784 524306111 /nfs/dbraw/zinc/30/61/11/524306111.db2.gz JQJAKBIMFWMGBM-RBSFLKMASA-N 0 0 428.579 5.123 50 0 IKAARN C[C@H](CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021855748 524311240 /nfs/dbraw/zinc/31/12/40/524311240.db2.gz XKOUSSIHVKLYED-NGOKVRLYSA-N 0 0 443.591 5.108 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 ZINC000012851172 524321965 /nfs/dbraw/zinc/32/19/65/524321965.db2.gz SOMFPVJZPZDSKJ-UHFFFAOYSA-N 0 0 428.901 5.261 50 0 IKAARN Cc1ccc(CCNC(=O)/C=C2\Sc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020725746 524324390 /nfs/dbraw/zinc/32/43/90/524324390.db2.gz ZWUFVIOUNXUQKW-UQQQWYQISA-N 0 0 442.584 5.185 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)c2n1 ZINC000020992855 524341987 /nfs/dbraw/zinc/34/19/87/524341987.db2.gz BDDWYLDWDANVJN-OAQYLSRUSA-N 0 0 449.558 5.378 50 0 IKAARN Cc1cc(C)c2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc(C)c2c1 ZINC000012650964 524352244 /nfs/dbraw/zinc/35/22/44/524352244.db2.gz NDYBSVGBHIRAEE-CVEARBPZSA-N 0 0 447.431 6.825 50 0 IKAARN Cc1cc(C)c2nc(S[C@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)cc(C)c2c1 ZINC000012631204 524352679 /nfs/dbraw/zinc/35/26/79/524352679.db2.gz LKCSGXZPVQFKTG-NDEPHWFRSA-N 0 0 436.580 7.358 50 0 IKAARN Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c2nc(-c2ccccc2)c3-c2ccccc2)c1 ZINC000012445756 524356648 /nfs/dbraw/zinc/35/66/48/524356648.db2.gz HQUSMDXWFSNPAK-UHFFFAOYSA-N 0 0 439.562 7.743 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000020895076 524358549 /nfs/dbraw/zinc/35/85/49/524358549.db2.gz MCNXTMJSVKZKEO-UHFFFAOYSA-N 0 0 436.558 5.728 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000012660763 524359654 /nfs/dbraw/zinc/35/96/54/524359654.db2.gz LZCWWOSAFSUJDG-CALCHBBNSA-N 0 0 441.000 5.469 50 0 IKAARN Cc1cc(C)cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)c1 ZINC000020617100 524361282 /nfs/dbraw/zinc/36/12/82/524361282.db2.gz LJMJXGMOJLUOQJ-GNVQSUKOSA-N 0 0 449.457 5.008 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccccc2OC)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036034074 524370974 /nfs/dbraw/zinc/37/09/74/524370974.db2.gz BORWMDSYTSPSLS-KRWDZBQOSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)Nc2cccc(C)c2)C1 ZINC000035839613 524374124 /nfs/dbraw/zinc/37/41/24/524374124.db2.gz WGZGWUVDFLQNEX-QFIPXVFZSA-N 0 0 447.510 5.370 50 0 IKAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000035912309 524390122 /nfs/dbraw/zinc/39/01/22/524390122.db2.gz RFNMXFHMDTWLKF-RUZDIDTESA-N 0 0 432.545 5.045 50 0 IKAARN COc1ccccc1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012601430 524390251 /nfs/dbraw/zinc/39/02/51/524390251.db2.gz VFRJQXVCSDMMMM-UHFFFAOYSA-N 0 0 431.561 5.201 50 0 IKAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000035910903 524390606 /nfs/dbraw/zinc/39/06/06/524390606.db2.gz JBKPQGDCMWWRDP-QHCPKHFHSA-N 0 0 438.936 5.380 50 0 IKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)C2=O)c1 ZINC000035180836 524393571 /nfs/dbraw/zinc/39/35/71/524393571.db2.gz CILZJQXNFWAEBY-UHFFFAOYSA-N 0 0 439.559 5.026 50 0 IKAARN COc1ccccc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(Cl)c1 ZINC000011952405 524395987 /nfs/dbraw/zinc/39/59/87/524395987.db2.gz JCZKJIJQJRJGST-HHHXNRCGSA-N 0 0 444.962 5.937 50 0 IKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020415287 524396985 /nfs/dbraw/zinc/39/69/85/524396985.db2.gz AXDSXYCGBRXENL-RUZDIDTESA-N 0 0 426.516 5.724 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)[C@@H]1C ZINC000012660789 524397381 /nfs/dbraw/zinc/39/73/81/524397381.db2.gz JQJAKBIMFWMGBM-KFWWJZLASA-N 0 0 428.579 5.123 50 0 IKAARN COc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1Cl ZINC000016138863 524401746 /nfs/dbraw/zinc/40/17/46/524401746.db2.gz DBRYZUVTVAFYLT-QHCPKHFHSA-N 0 0 440.330 5.930 50 0 IKAARN Cc1cc(C)cc(N(C(=O)CCc2nc(-c3ccco3)no2)c2nc3ccccc3s2)c1 ZINC000012822946 524401849 /nfs/dbraw/zinc/40/18/49/524401849.db2.gz LTLJJDARSVUUCQ-UHFFFAOYSA-N 0 0 444.516 5.854 50 0 IKAARN Cc1cccc(CN2[C@@H](c3ccc(Br)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000021117865 524410347 /nfs/dbraw/zinc/41/03/47/524410347.db2.gz ROCCJAWVAUKZLL-NRFANRHFSA-N 0 0 443.366 5.073 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCCC(C)C)c1 ZINC000021911826 524411204 /nfs/dbraw/zinc/41/12/04/524411204.db2.gz ORHDXBSDXUBULW-DEOSSOPVSA-N 0 0 449.620 5.137 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COCc3ccccc3)c2)c1 ZINC000035928692 524411826 /nfs/dbraw/zinc/41/18/26/524411826.db2.gz QUVWRIHZSKJJOG-SANMLTNESA-N 0 0 446.572 5.237 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CCc3ccccc3)c2)c1 ZINC000035928676 524412252 /nfs/dbraw/zinc/41/22/52/524412252.db2.gz QJVQFKUXDPCDIA-SANMLTNESA-N 0 0 430.573 5.653 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)C2CCCCC2)o1 ZINC000035766034 524417060 /nfs/dbraw/zinc/41/70/60/524417060.db2.gz GNTJTUOKWUHWAT-UHFFFAOYSA-N 0 0 442.575 5.321 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)NC(C)(C)C)s1 ZINC000035251500 524417351 /nfs/dbraw/zinc/41/73/51/524417351.db2.gz HVTYALKTDRXBIZ-UHFFFAOYSA-N 0 0 447.620 5.191 50 0 IKAARN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c1 ZINC000033271019 524419230 /nfs/dbraw/zinc/41/92/30/524419230.db2.gz DQPTVTWPYZNBRS-UHFFFAOYSA-N 0 0 435.553 5.043 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 ZINC000012140476 524420618 /nfs/dbraw/zinc/42/06/18/524420618.db2.gz HLYLMVLIYOWROR-UHFFFAOYSA-N 0 0 428.355 5.254 50 0 IKAARN C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4C(F)(F)F)cc3c2C1 ZINC000015526852 524433131 /nfs/dbraw/zinc/43/31/31/524433131.db2.gz RQGXSOAOOLBVLN-AWEZNQCLSA-N 0 0 443.469 5.022 50 0 IKAARN C[C@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)cc2C1 ZINC000022227111 524444398 /nfs/dbraw/zinc/44/43/98/524444398.db2.gz RFRCTIHPOASRDO-LBPRGKRZSA-N 0 0 448.466 5.989 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C)cc3NC(=O)Nc3ccccc3)C2=O)cc1 ZINC000034737297 524446171 /nfs/dbraw/zinc/44/61/71/524446171.db2.gz ZZEAQRSRDUFSJN-UHFFFAOYSA-N 0 0 428.536 5.780 50 0 IKAARN Cc1cccc(CSc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2CC(C)C)c1 ZINC000033076987 524462736 /nfs/dbraw/zinc/46/27/36/524462736.db2.gz HTAOHFLLTFGOPC-UHFFFAOYSA-N 0 0 449.620 5.326 50 0 IKAARN C[C@H](CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 ZINC000021916001 524462877 /nfs/dbraw/zinc/46/28/77/524462877.db2.gz OWKAULOIWXQEFQ-HXUWFJFHSA-N 0 0 427.548 5.595 50 0 IKAARN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000035887801 524471673 /nfs/dbraw/zinc/47/16/73/524471673.db2.gz GRGOIEXZEJUEON-UHFFFAOYSA-N 0 0 442.607 5.046 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCCCc3ccccc3)C2)c(C)c1 ZINC000012474498 524482675 /nfs/dbraw/zinc/48/26/75/524482675.db2.gz DZTLYAGCCQYBAC-QHCPKHFHSA-N 0 0 436.596 5.374 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)cc1Cl ZINC000012471088 524483201 /nfs/dbraw/zinc/48/32/01/524483201.db2.gz ASBZFBRNZLSCKV-FQEVSTJZSA-N 0 0 442.987 5.329 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3c[nH]c4ccccc34)C2)cc1Cl ZINC000012076599 524483221 /nfs/dbraw/zinc/48/32/21/524483221.db2.gz OVFCHVCZFDGOBX-INIZCTEOSA-N 0 0 439.943 5.101 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cccc(Cl)c3F)C2)c(C)c1 ZINC000012298508 524484660 /nfs/dbraw/zinc/48/46/60/524484660.db2.gz KGBKYNFRPVKSAM-MRXNPFEDSA-N 0 0 432.923 5.067 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)c(C)c1 ZINC000015069225 524485040 /nfs/dbraw/zinc/48/50/40/524485040.db2.gz LIDZDESWRSUGOB-LJQANCHMSA-N 0 0 434.536 5.329 50 0 IKAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000021159912 524493570 /nfs/dbraw/zinc/49/35/70/524493570.db2.gz YSXIBPYGXLUYRA-QPPBQGQZSA-N 0 0 444.623 5.304 50 0 IKAARN COc1ccccc1CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035848291 524497178 /nfs/dbraw/zinc/49/71/78/524497178.db2.gz SGXTWROJCOHTNY-UHFFFAOYSA-N 0 0 432.332 6.135 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2Oc2ccccc2C)cc1 ZINC000020849106 524510046 /nfs/dbraw/zinc/51/00/46/524510046.db2.gz ZLKQFVRZMKHZOM-UHFFFAOYSA-N 0 0 429.545 5.447 50 0 IKAARN COc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000020560821 524521651 /nfs/dbraw/zinc/52/16/51/524521651.db2.gz IKNFREFGRWMPDS-OAQYLSRUSA-N 0 0 438.886 5.214 50 0 IKAARN COc1ccccc1Cn1cnc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O ZINC000035400231 524522608 /nfs/dbraw/zinc/52/26/08/524522608.db2.gz NEVQWRNYVREDFG-UHFFFAOYSA-N 0 0 429.907 5.110 50 0 IKAARN Cc1ccc(CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000020938915 524523758 /nfs/dbraw/zinc/52/37/58/524523758.db2.gz JHFGVGKEUSAZRI-VWLOTQADSA-N 0 0 447.941 6.126 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2 ZINC000035892114 524530977 /nfs/dbraw/zinc/53/09/77/524530977.db2.gz QQISBGPDPHJNRM-CVDCTZTESA-N 0 0 440.543 5.556 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc(Cl)cc1 ZINC000035891420 524531044 /nfs/dbraw/zinc/53/10/44/524531044.db2.gz ONOUHFOSXDYUOJ-NBGIEHNGSA-N 0 0 445.006 6.491 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012139335 524531076 /nfs/dbraw/zinc/53/10/76/524531076.db2.gz LESINVYDMJFLPO-FQEVSTJZSA-N 0 0 441.600 5.973 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc(Cl)cc1 ZINC000035891415 524531428 /nfs/dbraw/zinc/53/14/28/524531428.db2.gz ONOUHFOSXDYUOJ-CPJSRVTESA-N 0 0 445.006 6.491 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc4ccccc43)c2)c1 ZINC000035910354 524533028 /nfs/dbraw/zinc/53/30/28/524533028.db2.gz GWMVAIMEVRJDNR-HHHXNRCGSA-N 0 0 438.552 6.179 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1C ZINC000035927148 524533951 /nfs/dbraw/zinc/53/39/51/524533951.db2.gz OFMCXQOTRZNVOV-XMMPIXPASA-N 0 0 436.964 5.988 50 0 IKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc4ccccc43)cc2)c1 ZINC000035910317 524534407 /nfs/dbraw/zinc/53/44/07/524534407.db2.gz ZFWXHOUBEIAOHB-MHZLTWQESA-N 0 0 438.552 6.179 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988145 524534614 /nfs/dbraw/zinc/53/46/14/524534614.db2.gz OIJLUVBRGHXCFG-NRFANRHFSA-N 0 0 441.575 5.813 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010761 524534759 /nfs/dbraw/zinc/53/47/59/524534759.db2.gz MBHFCMIFPXDDCI-IBGZPJMESA-N 0 0 440.522 5.777 50 0 IKAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000035925129 524535752 /nfs/dbraw/zinc/53/57/52/524535752.db2.gz HETFYYFKUVLURZ-BXKMTCNYSA-N 0 0 440.609 5.875 50 0 IKAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(F)cc32)CC1 ZINC000035706377 524550372 /nfs/dbraw/zinc/55/03/72/524550372.db2.gz OHHAZFIIBDXNPG-UHFFFAOYSA-N 0 0 441.506 5.012 50 0 IKAARN COc1ccccc1N1CCN(C(=O)c2cc3ccsc3n2Cc2ccc(C)cc2)CC1 ZINC000035843824 524551901 /nfs/dbraw/zinc/55/19/01/524551901.db2.gz KUEGXPPHHCNGON-UHFFFAOYSA-N 0 0 445.588 5.031 50 0 IKAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000012344181 524556941 /nfs/dbraw/zinc/55/69/41/524556941.db2.gz WSZBUVRGPZPMNC-NRFANRHFSA-N 0 0 446.334 5.449 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000021879955 524557083 /nfs/dbraw/zinc/55/70/83/524557083.db2.gz GYULGXUTUGDRFE-RUZDIDTESA-N 0 0 427.504 5.365 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000021879875 524557609 /nfs/dbraw/zinc/55/76/09/524557609.db2.gz DATIMIYGLRLVLU-RUZDIDTESA-N 0 0 445.494 5.504 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c(OC)c1 ZINC000021891426 524558880 /nfs/dbraw/zinc/55/88/80/524558880.db2.gz XEPGOVJSTVDCFJ-DEOSSOPVSA-N 0 0 445.544 5.693 50 0 IKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000021892318 524558925 /nfs/dbraw/zinc/55/89/25/524558925.db2.gz CDLLJAFBENXMRW-VWLOTQADSA-N 0 0 445.469 5.901 50 0 IKAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2ccccc2C)n1 ZINC000021523653 524575718 /nfs/dbraw/zinc/57/57/18/524575718.db2.gz XOPDOJLDBCDXFS-QHCPKHFHSA-N 0 0 441.560 5.029 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O ZINC000012447221 524579689 /nfs/dbraw/zinc/57/96/89/524579689.db2.gz LCWTUKZQHGATBZ-NRFANRHFSA-N 0 0 425.532 5.231 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3)cc2)c2ccccc2)cc1Cl ZINC000012589945 524587762 /nfs/dbraw/zinc/58/77/62/524587762.db2.gz WMUONEKCDVLBTP-DEOSSOPVSA-N 0 0 435.955 5.741 50 0 IKAARN Cc1cc(C)nc(SCc2nc3cc(NC(=S)Nc4ccccc4)ccc3n2C)n1 ZINC000012322020 524602708 /nfs/dbraw/zinc/60/27/08/524602708.db2.gz CUXJZKPPEAGTDS-UHFFFAOYSA-N 0 0 434.594 5.081 50 0 IKAARN COc1ccccc1NC(=O)Cc1nc(CN[C@H](C)c2cccc3ccccc32)cs1 ZINC000012874113 524605029 /nfs/dbraw/zinc/60/50/29/524605029.db2.gz ZMEFQHLZCKNGFA-QGZVFWFLSA-N 0 0 431.561 5.337 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(N(C)C)c3)n2-c2ccccc2)c1 ZINC000033025663 524605153 /nfs/dbraw/zinc/60/51/53/524605153.db2.gz AOQWDBLDMNQRDQ-UHFFFAOYSA-N 0 0 443.576 5.040 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1C ZINC000020988218 524605843 /nfs/dbraw/zinc/60/58/43/524605843.db2.gz NJIHNXRKLOBIFD-UHFFFAOYSA-N 0 0 427.548 5.859 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035836397 524608427 /nfs/dbraw/zinc/60/84/27/524608427.db2.gz NVJPPMDHXYPUBX-HXUWFJFHSA-N 0 0 433.483 5.062 50 0 IKAARN COc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl ZINC000009816813 524610753 /nfs/dbraw/zinc/61/07/53/524610753.db2.gz VOYXMAHMUYCGAO-HXUWFJFHSA-N 0 0 442.972 5.139 50 0 IKAARN COc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl ZINC000012596713 524610955 /nfs/dbraw/zinc/61/09/55/524610955.db2.gz YUSZPLHUWNERPW-HSZRJFAPSA-N 0 0 449.938 5.033 50 0 IKAARN Cc1cccc(NC(=O)N(CC(=O)N(Cc2cccs2)Cc2ccccc2)CC2CC2)c1 ZINC000033509668 524612037 /nfs/dbraw/zinc/61/20/37/524612037.db2.gz KBMDKHQKYXLNCU-UHFFFAOYSA-N 0 0 447.604 5.529 50 0 IKAARN Cc1ccc(CNc2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022574403 524613032 /nfs/dbraw/zinc/61/30/32/524613032.db2.gz VCILGXZETYPMCW-UHFFFAOYSA-N 0 0 436.964 5.950 50 0 IKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000021888550 524613106 /nfs/dbraw/zinc/61/31/06/524613106.db2.gz OKNGFTFZGVITOW-XMMPIXPASA-N 0 0 431.923 6.010 50 0 IKAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)COc2ccc3ccccc3c2)cc1 ZINC000014610623 524619071 /nfs/dbraw/zinc/61/90/71/524619071.db2.gz BRVSBCKKFLXMTE-UHFFFAOYSA-N 0 0 438.487 5.331 50 0 IKAARN COc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1Cl ZINC000021914966 524622673 /nfs/dbraw/zinc/62/26/73/524622673.db2.gz FWXATKTYZCKVGU-UHFFFAOYSA-N 0 0 449.938 5.438 50 0 IKAARN Cc1ccc(COc2cc(C(=O)NCc3ccc(OC(C)C)cc3)c3ccccc3n2)cc1 ZINC000021094483 524625232 /nfs/dbraw/zinc/62/52/32/524625232.db2.gz BKIYPDHQVWFGOX-UHFFFAOYSA-N 0 0 440.543 5.839 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000021889548 524628358 /nfs/dbraw/zinc/62/83/58/524628358.db2.gz GKURIQKIIATARM-MUUNZHRXSA-N 0 0 435.571 7.046 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)c1C ZINC000015735601 524628472 /nfs/dbraw/zinc/62/84/72/524628472.db2.gz AIHLNIDLTDBVSY-DEOSSOPVSA-N 0 0 433.621 6.779 50 0 IKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c1C ZINC000021536112 524628610 /nfs/dbraw/zinc/62/86/10/524628610.db2.gz CFDFNPFMNSMEIL-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)cc1 ZINC000012695754 524635179 /nfs/dbraw/zinc/63/51/79/524635179.db2.gz UBJXYXVMYVHTGN-UHFFFAOYSA-N 0 0 449.557 5.288 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)c(OC)c1 ZINC000033025351 524642946 /nfs/dbraw/zinc/64/29/46/524642946.db2.gz ALZQPESHRAGGGI-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCCC2)c1 ZINC000033009545 524643149 /nfs/dbraw/zinc/64/31/49/524643149.db2.gz COABONXCOQGXKZ-UHFFFAOYSA-N 0 0 442.563 6.190 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739780 524643036 /nfs/dbraw/zinc/64/30/36/524643036.db2.gz TYJNBMZVBOGPFR-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1OC ZINC000033025398 524643284 /nfs/dbraw/zinc/64/32/84/524643284.db2.gz BDDYPNFNALVTQJ-UHFFFAOYSA-N 0 0 426.476 5.157 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1Cl ZINC000033010622 524643300 /nfs/dbraw/zinc/64/33/00/524643300.db2.gz HSMKOLHKYNSPHG-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)c(OC)c1 ZINC000033025275 524643312 /nfs/dbraw/zinc/64/33/12/524643312.db2.gz FPTIDZQFZSBLPW-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3ccc(F)cc3)ccc2N2CCCC2)c1C ZINC000033009764 524643711 /nfs/dbraw/zinc/64/37/11/524643711.db2.gz XVMZLGUXABWOPT-UHFFFAOYSA-N 0 0 446.526 5.939 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c(OC)c1 ZINC000033260984 524644209 /nfs/dbraw/zinc/64/42/09/524644209.db2.gz CIIHSFDJQGSEAR-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2Br)cc1NC(=O)c1cccc(C)c1 ZINC000032998383 524645897 /nfs/dbraw/zinc/64/58/97/524645897.db2.gz LPFBSLTWFRYOQR-UHFFFAOYSA-N 0 0 439.309 5.271 50 0 IKAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2OC(C)C)CC(=O)N3)cc1 ZINC000021784500 524648119 /nfs/dbraw/zinc/64/81/19/524648119.db2.gz CGXCBOOTECAOMJ-GOSISDBHSA-N 0 0 435.549 5.044 50 0 IKAARN COc1ccc(NC(=O)c2oc3c(c2C)-c2nn(Cc4ccc(Cl)cc4)cc2CC3)cc1 ZINC000020490055 524661622 /nfs/dbraw/zinc/66/16/22/524661622.db2.gz VIUBTDCRKDNFEL-UHFFFAOYSA-N 0 0 447.922 5.513 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc(Cc4ccccc4)nc(C)c3c2C)c(OC)c1 ZINC000012391202 524662541 /nfs/dbraw/zinc/66/25/41/524662541.db2.gz QVUZQXWIWJCWPQ-UHFFFAOYSA-N 0 0 433.533 5.168 50 0 IKAARN COc1ccc(NC(=O)c2oc3c(c2C)-c2nn(Cc4cccc(Cl)c4)cc2CC3)cc1 ZINC000020490123 524662797 /nfs/dbraw/zinc/66/27/97/524662797.db2.gz AMNYXJNRHYFCSF-UHFFFAOYSA-N 0 0 447.922 5.513 50 0 IKAARN Cc1cccc(NC(=S)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)c1 ZINC000012644187 524666441 /nfs/dbraw/zinc/66/64/41/524666441.db2.gz ZPKXLQBCQBJDQU-RZDMPUFOSA-N 0 0 434.693 7.115 50 0 IKAARN COc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000021659386 524677647 /nfs/dbraw/zinc/67/76/47/524677647.db2.gz BNXWAYSSXVVSDX-UHFFFAOYSA-N 0 0 444.922 5.523 50 0 IKAARN COc1ccccc1Oc1c(CN(C(=O)NC(C)(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000035978435 524694527 /nfs/dbraw/zinc/69/45/27/524694527.db2.gz VQIZOZSPZGZTJI-UHFFFAOYSA-N 0 0 448.567 5.454 50 0 IKAARN COc1ccccc1Oc1c(CN(Cc2ccco2)C(C)=O)c(-c2ccccc2)nn1C ZINC000035980461 524694626 /nfs/dbraw/zinc/69/46/26/524694626.db2.gz VQVSGLNXXNJXBK-UHFFFAOYSA-N 0 0 431.492 5.030 50 0 IKAARN COc1ccccc1Oc1c(CN(CC(C)C)C(=O)C2CC2)c(C)nn1-c1ccccc1 ZINC000035976401 524695004 /nfs/dbraw/zinc/69/50/04/524695004.db2.gz QGAPUUMWHNSVDE-UHFFFAOYSA-N 0 0 433.552 5.376 50 0 IKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)ncn1 ZINC000035526573 524695233 /nfs/dbraw/zinc/69/52/33/524695233.db2.gz ITGGGMPSNYTSRK-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1ccccc1Oc1c(CN(CC2CC2)C(C)=O)c(C)nn1-c1ccc(Cl)cc1 ZINC000035975423 524695505 /nfs/dbraw/zinc/69/55/05/524695505.db2.gz KEDXZZWQHPMTBL-UHFFFAOYSA-N 0 0 439.943 5.394 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1C ZINC000035535106 524699507 /nfs/dbraw/zinc/69/95/07/524699507.db2.gz ZHORDEJFMUGINL-NXQMDHLFSA-N 0 0 437.580 6.208 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000016035417 524700380 /nfs/dbraw/zinc/70/03/80/524700380.db2.gz GJUXSUQHULWRFG-UHFFFAOYSA-N 0 0 443.330 6.149 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C ZINC000035535103 524700886 /nfs/dbraw/zinc/70/08/86/524700886.db2.gz ZHORDEJFMUGINL-IOZGHAEBSA-N 0 0 437.580 6.208 50 0 IKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)c(OC)c1 ZINC000020853087 524702619 /nfs/dbraw/zinc/70/26/19/524702619.db2.gz PADBJAXMQHEMIO-OAQYLSRUSA-N 0 0 439.874 5.748 50 0 IKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000020852380 524702769 /nfs/dbraw/zinc/70/27/69/524702769.db2.gz AQCFTKOHZOLPAN-HXUWFJFHSA-N 0 0 426.303 6.254 50 0 IKAARN COc1ccc(N[C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3C)C2)cc1OC ZINC000012439111 524710889 /nfs/dbraw/zinc/71/08/89/524710889.db2.gz HVCDYSILELKUEW-NRFANRHFSA-N 0 0 430.548 5.396 50 0 IKAARN COc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1Cl ZINC000021096812 524715857 /nfs/dbraw/zinc/71/58/57/524715857.db2.gz UPVWMOUMMHREAK-UHFFFAOYSA-N 0 0 447.857 5.892 50 0 IKAARN COc1ccc(Nc2nnc(SCc3csc(-c4ccc(Cl)cc4)n3)s2)cc1 ZINC000012696126 524721910 /nfs/dbraw/zinc/72/19/10/524721910.db2.gz YMRBHXPXBPQJOV-UHFFFAOYSA-N 0 0 447.010 6.360 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947754 524725577 /nfs/dbraw/zinc/72/55/77/524725577.db2.gz DCTIIEMDZAIMCY-NSPYISDASA-N 0 0 443.366 6.324 50 0 IKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000015947575 524726317 /nfs/dbraw/zinc/72/63/17/524726317.db2.gz HKTNYGMIOSCSDY-JWTKEWLNSA-N 0 0 434.517 5.514 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccccc2Cl)c2ccccc2S1(=O)=O ZINC000009663931 524729127 /nfs/dbraw/zinc/72/91/27/524729127.db2.gz XOZVRYRCRIKHOC-UHFFFAOYSA-N 0 0 447.343 5.637 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810488 524729992 /nfs/dbraw/zinc/72/99/92/524729992.db2.gz LNFJYNJQNUYWFG-DEOSSOPVSA-N 0 0 439.943 5.064 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810490 524730864 /nfs/dbraw/zinc/73/08/64/524730864.db2.gz LNFJYNJQNUYWFG-XMMPIXPASA-N 0 0 439.943 5.064 50 0 IKAARN Cc1ccc(Cl)cc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902759 524731769 /nfs/dbraw/zinc/73/17/69/524731769.db2.gz ALOWPCVQSZFNPS-SANMLTNESA-N 0 0 449.982 5.471 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000021094312 524732966 /nfs/dbraw/zinc/73/29/66/524732966.db2.gz SUMCZDAAWBMZFR-UHFFFAOYSA-N 0 0 436.968 5.011 50 0 IKAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2C1 ZINC000012623511 524733257 /nfs/dbraw/zinc/73/32/57/524733257.db2.gz XLJZNDQVAFMYSA-CQSZACIVSA-N 0 0 442.437 5.174 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc(N2CCCCC2)nc2ccccc21 ZINC000033114728 524745668 /nfs/dbraw/zinc/74/56/68/524745668.db2.gz UPIKPSRHAIPAOB-UHFFFAOYSA-N 0 0 426.973 5.313 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000033255292 524747592 /nfs/dbraw/zinc/74/75/92/524747592.db2.gz ZZLNOXFFOSRWGZ-UHFFFAOYSA-N 0 0 431.323 5.763 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1C ZINC000021894159 524749225 /nfs/dbraw/zinc/74/92/25/524749225.db2.gz XOLFYMRYJVRAKE-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891259 524749533 /nfs/dbraw/zinc/74/95/33/524749533.db2.gz ZMBCYQOMACSCSF-QHCPKHFHSA-N 0 0 433.964 6.638 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1C ZINC000021894163 524749558 /nfs/dbraw/zinc/74/95/58/524749558.db2.gz XOLFYMRYJVRAKE-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 ZINC000021156713 524751325 /nfs/dbraw/zinc/75/13/25/524751325.db2.gz GGSFMZQFLZISBM-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088563 524756836 /nfs/dbraw/zinc/75/68/36/524756836.db2.gz UMHMBVKUZRCIAP-UHFFFAOYSA-N 0 0 437.834 5.086 50 0 IKAARN COc1ccccc1[C@@H]1CCN(Cc2ccc3nccnc3c2)c2ccc(C)cc2S1 ZINC000012247655 524758389 /nfs/dbraw/zinc/75/83/89/524758389.db2.gz KHFALMCEUXGZBP-VWLOTQADSA-N 0 0 427.573 6.191 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000012559850 524760716 /nfs/dbraw/zinc/76/07/16/524760716.db2.gz HYUZMXWPYFYBRQ-UHSQPCAPSA-N 0 0 432.523 6.605 50 0 IKAARN Cc1ccc(Cn2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 ZINC000034880250 524766632 /nfs/dbraw/zinc/76/66/32/524766632.db2.gz HSCGMGRPJKRISG-UHFFFAOYSA-N 0 0 428.601 6.343 50 0 IKAARN Cc1ccc(Cn2c(SCc3ccc(C(=O)N4CCCC4)cc3)nc3cccnc32)cc1 ZINC000020532339 524766946 /nfs/dbraw/zinc/76/69/46/524766946.db2.gz QMFFIDZTPIRAPL-UHFFFAOYSA-N 0 0 442.588 5.316 50 0 IKAARN Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000035400559 524769649 /nfs/dbraw/zinc/76/96/49/524769649.db2.gz USORCTXQUGFKDJ-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1cccc(OCc2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)c1 ZINC000012673891 524770162 /nfs/dbraw/zinc/77/01/62/524770162.db2.gz CVXUHQRCYMSYJS-QFIPXVFZSA-N 0 0 449.507 5.568 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000015910961 524770113 /nfs/dbraw/zinc/77/01/13/524770113.db2.gz LAHYSFGRZFXKRA-HHHXNRCGSA-N 0 0 445.566 6.107 50 0 IKAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000021159483 524770320 /nfs/dbraw/zinc/77/03/20/524770320.db2.gz OBMXAKLBXNCGIY-UHFFFAOYSA-N 0 0 430.596 5.058 50 0 IKAARN Cc1cccc(Oc2c(CN(C(=O)C3CCCC3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980733 524783085 /nfs/dbraw/zinc/78/30/85/524783085.db2.gz UDLKAAJEXRJJAB-UHFFFAOYSA-N 0 0 429.564 5.869 50 0 IKAARN Cc1cccc(Oc2c(CN(C(=O)c3ccccc3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980711 524783300 /nfs/dbraw/zinc/78/33/00/524783300.db2.gz XLAVFYFCLUAWHE-UHFFFAOYSA-N 0 0 439.559 6.239 50 0 IKAARN Cc1cccc(Oc2c(CN(C[C@@H]3CCCO3)C(=O)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980774 524785415 /nfs/dbraw/zinc/78/54/15/524785415.db2.gz WCGAYSYILHOYSH-QHCPKHFHSA-N 0 0 445.563 5.105 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc(C)cc3)no2)c1 ZINC000036011864 524791010 /nfs/dbraw/zinc/79/10/10/524791010.db2.gz CVGLACUBHSKRHA-UHFFFAOYSA-N 0 0 442.515 5.510 50 0 IKAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccc(F)cc3)C(=O)CC(C)C)no2)c1 ZINC000036012203 524791325 /nfs/dbraw/zinc/79/13/25/524791325.db2.gz TTZXJAUBBOIXDS-UHFFFAOYSA-N 0 0 426.488 5.073 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000035928000 524812186 /nfs/dbraw/zinc/81/21/86/524812186.db2.gz CUNMMTZSSQUTDA-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033288680 524812142 /nfs/dbraw/zinc/81/21/42/524812142.db2.gz WHXGOIHZBTZIIK-KRWDZBQOSA-N 0 0 438.984 5.445 50 0 IKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 ZINC000035928040 524812759 /nfs/dbraw/zinc/81/27/59/524812759.db2.gz PTOLJQDHHHUJRX-QFIPXVFZSA-N 0 0 426.538 5.155 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000012559852 524819376 /nfs/dbraw/zinc/81/93/76/524819376.db2.gz HYUZMXWPYFYBRQ-GGXMVOPNSA-N 0 0 432.523 6.605 50 0 IKAARN COc1ccccc1[C@H]1c2sc3c(c2CCN1C(=O)NCc1ccccc1)CCCC3 ZINC000021048765 524819806 /nfs/dbraw/zinc/81/98/06/524819806.db2.gz ZICHCPSCCRDUBK-DEOSSOPVSA-N 0 0 432.589 5.493 50 0 IKAARN COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 ZINC000012888023 524846947 /nfs/dbraw/zinc/84/69/47/524846947.db2.gz KLBYGMAPHYYCJW-UHFFFAOYSA-N 0 0 449.503 5.361 50 0 biogenic IKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)[C@@H]2CCCO2)CCCC4)c1 ZINC000033115702 524855962 /nfs/dbraw/zinc/85/59/62/524855962.db2.gz SCIYNSCIZOVHGH-LADGPHEKSA-N 0 0 432.589 5.337 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000021536727 524856137 /nfs/dbraw/zinc/85/61/37/524856137.db2.gz PBKWAMSHWLWKMY-AREMUKBSSA-N 0 0 425.507 6.370 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccc(F)cc2)c1 ZINC000021893505 524856915 /nfs/dbraw/zinc/85/69/15/524856915.db2.gz DBLRUSGSYBJXGZ-AREMUKBSSA-N 0 0 425.507 5.740 50 0 IKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2)c1 ZINC000021893191 524857087 /nfs/dbraw/zinc/85/70/87/524857087.db2.gz AKQZKQYEQASKLV-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN COc1ccc(OC)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000021879841 524860747 /nfs/dbraw/zinc/86/07/47/524860747.db2.gz WAGDRJMEPCUNIM-RUZDIDTESA-N 0 0 445.494 5.504 50 0 IKAARN Cc1ccc(N(C(=O)CCc2nc(-c3ccco3)no2)c2nc3ccccc3s2)cc1F ZINC000012791133 524875495 /nfs/dbraw/zinc/87/54/95/524875495.db2.gz GONZDAFEFPAWSU-UHFFFAOYSA-N 0 0 448.479 5.684 50 0 IKAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)C[C@@H](C)O1 ZINC000012782171 524877749 /nfs/dbraw/zinc/87/77/49/524877749.db2.gz QGDZFORVMHQMKU-ZIAGYGMSSA-N 0 0 428.941 5.056 50 0 IKAARN Cc1cccc([C@H]2CCCN(C(=O)c3cc(COc4ccc5ncccc5c4)on3)C2)c1 ZINC000012308058 524887961 /nfs/dbraw/zinc/88/79/61/524887961.db2.gz WHCNNNRHEZRREL-NRFANRHFSA-N 0 0 427.504 5.130 50 0 IKAARN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2ccc(C)cc2)cc1=O ZINC000015824791 524888130 /nfs/dbraw/zinc/88/81/30/524888130.db2.gz PUXJWARJJZKDLK-UHFFFAOYSA-N 0 0 442.968 5.058 50 0 IKAARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012417562 524889683 /nfs/dbraw/zinc/88/96/83/524889683.db2.gz YQGDYRQQMFBRQC-GJZGRUSLSA-N 0 0 448.947 5.449 50 0 IKAARN Cc1ccc(N(C)c2nc(-c3ccc(F)cc3)ncc2C(=O)N(C)C2CCCCC2)cc1 ZINC000036003204 524890589 /nfs/dbraw/zinc/89/05/89/524890589.db2.gz BUPTUCOWKXNLFO-UHFFFAOYSA-N 0 0 432.543 5.764 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000012581569 524895277 /nfs/dbraw/zinc/89/52/77/524895277.db2.gz BFXGLIWVJMDFMX-VWLOTQADSA-N 0 0 430.548 5.070 50 0 IKAARN COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000012196358 524900014 /nfs/dbraw/zinc/90/00/14/524900014.db2.gz GVAILLQFWRPENC-AVRDEDQJSA-N 0 0 426.925 5.661 50 0 IKAARN Cc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000012617450 524900309 /nfs/dbraw/zinc/90/03/09/524900309.db2.gz BUTAOKSAUSHZIE-GHTZIAJQSA-N 0 0 425.351 6.061 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000015824580 524900865 /nfs/dbraw/zinc/90/08/65/524900865.db2.gz CIHSRXUSKGXPRU-UHFFFAOYSA-N 0 0 432.904 5.193 50 0 IKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc3c2CCCC3)c1 ZINC000021536721 524902004 /nfs/dbraw/zinc/90/20/04/524902004.db2.gz XLLQOULZPXVZMO-LJAQVGFWSA-N 0 0 447.582 6.802 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCCOc3ccccc3)[C@H]2c2cccs2)cc1 ZINC000012630564 524917673 /nfs/dbraw/zinc/91/76/73/524917673.db2.gz YIZFEFYPIFJWLF-QPPBQGQZSA-N 0 0 435.545 5.163 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(F)ccc3F)[C@@H]2c2cccs2)cc1 ZINC000015005137 524918106 /nfs/dbraw/zinc/91/81/06/524918106.db2.gz VNCQDFQTGCTRIF-VGOFRKELSA-N 0 0 426.488 5.458 50 0 IKAARN COc1ccc(OC)c([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012196374 524918200 /nfs/dbraw/zinc/91/82/00/524918200.db2.gz GVAILLQFWRPENC-XMSQKQJNSA-N 0 0 426.925 5.661 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(F)ccc3F)[C@H]2c2cccs2)cc1 ZINC000015005136 524918958 /nfs/dbraw/zinc/91/89/58/524918958.db2.gz VNCQDFQTGCTRIF-JTSKRJEESA-N 0 0 426.488 5.458 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035912288 524919886 /nfs/dbraw/zinc/91/98/86/524919886.db2.gz IFGRKCHTMYUZJC-MHZLTWQESA-N 0 0 438.552 6.179 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000035912286 524920235 /nfs/dbraw/zinc/92/02/35/524920235.db2.gz KBZJYPPQCJELER-MHZLTWQESA-N 0 0 438.552 6.179 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1F ZINC000035928592 524920816 /nfs/dbraw/zinc/92/08/16/524920816.db2.gz HAHRPAHZEUZFBH-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C ZINC000035912272 524920850 /nfs/dbraw/zinc/92/08/50/524920850.db2.gz ZPVHLTLPLDYYKQ-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1F ZINC000035928602 524921141 /nfs/dbraw/zinc/92/11/41/524921141.db2.gz WPDXSSGFQQDNHE-QHCPKHFHSA-N 0 0 440.927 5.818 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2cccc3ccccc32)cc1 ZINC000035910861 524921779 /nfs/dbraw/zinc/92/17/79/524921779.db2.gz OQHDOAHNDJECTP-MHZLTWQESA-N 0 0 438.552 6.179 50 0 IKAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1Cl ZINC000020573792 524921912 /nfs/dbraw/zinc/92/19/12/524921912.db2.gz WVUZVIKOLIRPFA-DEOSSOPVSA-N 0 0 434.948 5.128 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000015827155 524923759 /nfs/dbraw/zinc/92/37/59/524923759.db2.gz RGDWNFVGEISPGG-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000021117358 524924131 /nfs/dbraw/zinc/92/41/31/524924131.db2.gz GTVUTKWRAASGRQ-UHFFFAOYSA-N 0 0 446.450 5.349 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000021657862 524924957 /nfs/dbraw/zinc/92/49/57/524924957.db2.gz FJNRLMKDTNJPTC-UHFFFAOYSA-N 0 0 448.588 5.936 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H](CSc3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2)cc1 ZINC000012338598 524926844 /nfs/dbraw/zinc/92/68/44/524926844.db2.gz ZIPSXGCDAIGLJZ-VXKWHMMOSA-N 0 0 427.491 6.510 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000021809301 524930448 /nfs/dbraw/zinc/93/04/48/524930448.db2.gz UHDLAJGILRULOR-FXJWSJNKSA-N 0 0 435.593 5.125 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000021526526 524930495 /nfs/dbraw/zinc/93/04/95/524930495.db2.gz SNPHYWZOJVXULV-AREMUKBSSA-N 0 0 433.552 5.109 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c(C)c1 ZINC000021526510 524930599 /nfs/dbraw/zinc/93/05/99/524930599.db2.gz MVZOQKWUKZVVLA-SANMLTNESA-N 0 0 433.552 5.109 50 0 IKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1C ZINC000012651806 524931563 /nfs/dbraw/zinc/93/15/63/524931563.db2.gz MNVWAOSPRHJJBP-XKZIYDEJSA-N 0 0 437.326 6.250 50 0 IKAARN C[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000012623739 524934768 /nfs/dbraw/zinc/93/47/68/524934768.db2.gz ZLYRVOVJFNXIOR-MBBDBFLNSA-N 0 0 432.633 6.401 50 0 IKAARN C[C@@H](Cn1c2nnc(SCc3ccccc3)n2c2ccsc2c1=O)c1ccccc1 ZINC000035529581 524945145 /nfs/dbraw/zinc/94/51/45/524945145.db2.gz HUJFSOKHLNJWKP-INIZCTEOSA-N 0 0 432.574 5.202 50 0 IKAARN Cc1ccc(N2CCCN(Cc3c(F)cccc3F)C2=O)c(NC(=O)C2CCCC2)c1 ZINC000034736075 524946424 /nfs/dbraw/zinc/94/64/24/524946424.db2.gz WFXQYBDEEFHSBW-UHFFFAOYSA-N 0 0 427.495 5.234 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c(NC(=O)Cc2cccs2)c1 ZINC000034737014 524948051 /nfs/dbraw/zinc/94/80/51/524948051.db2.gz RHLLOAGCRBVOAH-UHFFFAOYSA-N 0 0 447.604 5.687 50 0 IKAARN Cc1ccc(N2CCCN([C@H](C)c3ccccc3)C2=O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000034736245 524949579 /nfs/dbraw/zinc/94/95/79/524949579.db2.gz PCJRGYIRCXYQFU-HXUWFJFHSA-N 0 0 445.538 5.709 50 0 IKAARN C[C@@H](Cn1cnc2c3cc(F)ccc3n(Cc3cccc(Cl)c3)c2c1=O)c1ccccc1 ZINC000035400493 524968064 /nfs/dbraw/zinc/96/80/64/524968064.db2.gz GUYOVCCYEZNPJW-KRWDZBQOSA-N 0 0 445.925 5.996 50 0 IKAARN C[C@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000035908417 524980787 /nfs/dbraw/zinc/98/07/87/524980787.db2.gz SFXZQUJFEUOKMP-LAUBAEHRSA-N 0 0 436.477 6.586 50 0 IKAARN C[C@H](NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000035891682 524981139 /nfs/dbraw/zinc/98/11/39/524981139.db2.gz RMUCLLGTYOUKHJ-PGRDOPGGSA-N 0 0 426.516 5.306 50 0 IKAARN COc1ccc(Oc2c(CN(CC(C)C)C(=O)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000035980569 524988773 /nfs/dbraw/zinc/98/87/73/524988773.db2.gz CWCNFYSVMIEVGY-UHFFFAOYSA-N 0 0 433.552 5.283 50 0 IKAARN COc1ccc(Oc2c(CN(CC3CC3)C(=O)NC(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000035978542 524988842 /nfs/dbraw/zinc/98/88/42/524988842.db2.gz JLZGVZWLNHXLMW-UHFFFAOYSA-N 0 0 448.567 5.312 50 0 IKAARN COc1ccc(Oc2cc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)ccc2OC)cc1 ZINC000012675070 524992211 /nfs/dbraw/zinc/99/22/11/524992211.db2.gz JJHVEYHTQGAFMG-GOSISDBHSA-N 0 0 446.503 5.026 50 0 IKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(Cl)cc4)c3)cn2)cc1 ZINC000065057933 524995813 /nfs/dbraw/zinc/99/58/13/524995813.db2.gz FFJKXPYRZZSRBY-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 biogenic IKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)cc1 ZINC000065057929 524996158 /nfs/dbraw/zinc/99/61/58/524996158.db2.gz IRMWGUXFXQFXTM-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN Cc1cccc2sc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@@H](C)C4)cs3)c(Cl)c21 ZINC000012756124 524999938 /nfs/dbraw/zinc/99/99/38/524999938.db2.gz MDQLXQBUJBRNCK-BETUJISGSA-N 0 0 436.002 5.181 50 0 IKAARN Cc1ccccc1-c1cc2c(c(O[C@H]3CCOC3)c1)OCCN(Cc1ccc(F)cc1)C2 ZINC000012191624 525002835 /nfs/dbraw/zinc/00/28/35/525002835.db2.gz SGEQHOVWNGOVCP-DEOSSOPVSA-N 0 0 433.523 5.363 50 0 IKAARN Cc1ccccc1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCCN(Cc1ccc(F)cc1)C2 ZINC000012191623 525002949 /nfs/dbraw/zinc/00/29/49/525002949.db2.gz SGEQHOVWNGOVCP-XMMPIXPASA-N 0 0 433.523 5.363 50 0 IKAARN Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1 ZINC000009664616 525025821 /nfs/dbraw/zinc/02/58/21/525025821.db2.gz DVAIRZISGVZPGN-UHFFFAOYSA-N 0 0 426.973 5.047 50 0 IKAARN Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@@H](C)C(=O)Nc1ccccc1 ZINC000012546451 525025939 /nfs/dbraw/zinc/02/59/39/525025939.db2.gz KDJXWVBBMINEHI-SFHVURJKSA-N 0 0 447.991 6.620 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2C(F)(F)F)nnc1-c1ccc(F)cc1 ZINC000035847843 525026127 /nfs/dbraw/zinc/02/61/27/525026127.db2.gz SZOVHFVYOAXZLE-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCCCC2)nnc1-c1c[nH]c2ccccc21 ZINC000012527051 525026880 /nfs/dbraw/zinc/02/68/80/525026880.db2.gz MXGLREGRJLWBPX-SFHVURJKSA-N 0 0 445.592 5.217 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)cc1F ZINC000033311910 525028001 /nfs/dbraw/zinc/02/80/01/525028001.db2.gz NLNHRTXBMXOXRK-UHFFFAOYSA-N 0 0 434.515 5.188 50 0 IKAARN Cc1ccccc1C(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892497 525047690 /nfs/dbraw/zinc/04/76/90/525047690.db2.gz QCMORDYIILDTLH-UHFFFAOYSA-N 0 0 448.636 5.354 50 0 IKAARN Cc1ccccc1C(=O)NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001415133 525051527 /nfs/dbraw/zinc/05/15/27/525051527.db2.gz UWHUKDDYGVSLDL-UHFFFAOYSA-N 0 0 432.368 5.008 50 0 IKAARN C[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@H](C)O1 ZINC000012620836 525057450 /nfs/dbraw/zinc/05/74/50/525057450.db2.gz JWVCPRQCIKOFRB-KSMMKXTCSA-N 0 0 426.866 5.148 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CN(Cc2ccccc2F)C1=O ZINC000035884553 525062377 /nfs/dbraw/zinc/06/23/77/525062377.db2.gz LMMPAGWDBACHTA-OAHLLOKOSA-N 0 0 438.886 5.041 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035873302 525062486 /nfs/dbraw/zinc/06/24/86/525062486.db2.gz ONBFYZLXTLRJGM-OAHLLOKOSA-N 0 0 448.485 5.390 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882874 525062742 /nfs/dbraw/zinc/06/27/42/525062742.db2.gz ASNKDXYBRIEJPW-MZNJEOGPSA-N 0 0 444.506 5.265 50 0 IKAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882958 525063914 /nfs/dbraw/zinc/06/39/14/525063914.db2.gz DDOVLEBQPZTCCD-OSPHWJPCSA-N 0 0 444.506 5.265 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c(F)c1 ZINC000021547114 525064787 /nfs/dbraw/zinc/06/47/87/525064787.db2.gz ZZOUBWYKVSDPRZ-UHFFFAOYSA-N 0 0 426.513 5.029 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)cc1 ZINC000012590395 525066834 /nfs/dbraw/zinc/06/68/34/525066834.db2.gz JCORTXKIMFNNPM-UHFFFAOYSA-N 0 0 446.506 6.159 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c(C)c1 ZINC000012577767 525067470 /nfs/dbraw/zinc/06/74/70/525067470.db2.gz UOECYLWZGJGINW-UHFFFAOYSA-N 0 0 431.517 5.013 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c(Cl)c1 ZINC000021147468 525073399 /nfs/dbraw/zinc/07/33/99/525073399.db2.gz HMNOPIYOKVYQEW-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN COc1ncccc1NC(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 ZINC000065488898 525074223 /nfs/dbraw/zinc/07/42/23/525074223.db2.gz GAHRANYMXIHFLS-UHFFFAOYSA-N 0 0 432.427 5.070 50 0 IKAARN C[C@H]1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1 ZINC000012565605 525077978 /nfs/dbraw/zinc/07/79/78/525077978.db2.gz DHIZINIRMKSOBY-LLVKDONJSA-N 0 0 433.762 5.031 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)c(C)c1 ZINC000020895019 525079868 /nfs/dbraw/zinc/07/98/68/525079868.db2.gz UIERNVHOAZJARG-UHFFFAOYSA-N 0 0 427.595 5.629 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c(Cl)c1 ZINC000035533607 525083691 /nfs/dbraw/zinc/08/36/91/525083691.db2.gz UJKMGTAFVNBECQ-CYBMUJFWSA-N 0 0 448.017 5.015 50 0 IKAARN C[C@@H](NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000012845234 525084868 /nfs/dbraw/zinc/08/48/68/525084868.db2.gz RCIZBCLPLCMJIS-CQSZACIVSA-N 0 0 435.471 5.505 50 0 IKAARN C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2)S1 ZINC000012418104 525089161 /nfs/dbraw/zinc/08/91/61/525089161.db2.gz WRQLQQTZVZPNHM-LLVKDONJSA-N 0 0 429.851 5.768 50 0 IKAARN C[C@@H](NC(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1cccs1 ZINC000011872440 525091326 /nfs/dbraw/zinc/09/13/26/525091326.db2.gz NNPOFTHCBDVNFL-NIYFSFCBSA-N 0 0 432.589 5.264 50 0 IKAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccccc2C)cc1 ZINC000012407348 525092591 /nfs/dbraw/zinc/09/25/91/525092591.db2.gz WLVWVCSLBLSOAH-UHFFFAOYSA-N 0 0 440.565 5.088 50 0 IKAARN COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3cccs3)c2)c2ccccc12 ZINC000001112340 525094913 /nfs/dbraw/zinc/09/49/13/525094913.db2.gz UDZIFDJYWVWDJN-UHFFFAOYSA-N 0 0 444.560 5.610 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)cc1Cl ZINC000021320973 525095084 /nfs/dbraw/zinc/09/50/84/525095084.db2.gz KKEJUASIBDLVCM-LLVKDONJSA-N 0 0 425.262 5.737 50 0 IKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCCCC2)cc1 ZINC000022573878 525095105 /nfs/dbraw/zinc/09/51/05/525095105.db2.gz ZXXWANVPALRJDN-UHFFFAOYSA-N 0 0 430.957 5.110 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F ZINC000021310738 525096462 /nfs/dbraw/zinc/09/64/62/525096462.db2.gz DXYXTZFAQGSPBR-LLVKDONJSA-N 0 0 425.262 5.737 50 0 IKAARN COc1ccc(S(=O)(=O)n2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1 ZINC000020617857 525096570 /nfs/dbraw/zinc/09/65/70/525096570.db2.gz NHEBLWSNCAGBIX-UHFFFAOYSA-N 0 0 432.545 5.388 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nccn3Cc3ccccc3)cs2)cc1 ZINC000021736232 525097189 /nfs/dbraw/zinc/09/71/89/525097189.db2.gz MGWJXVQMHOGWJA-UHFFFAOYSA-N 0 0 434.590 5.170 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc(C)nc4ccc(C)cc43)cs2)cc1 ZINC000022154410 525097579 /nfs/dbraw/zinc/09/75/79/525097579.db2.gz KONRKEIYVALOCD-UHFFFAOYSA-N 0 0 445.544 5.155 50 0 IKAARN C[C@@H](NC(=O)CN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000012683125 525097672 /nfs/dbraw/zinc/09/76/72/525097672.db2.gz CULGIHAOBXRZFM-MOPGFXCFSA-N 0 0 449.982 5.463 50 0 IKAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000012782744 525116708 /nfs/dbraw/zinc/11/67/08/525116708.db2.gz YTUOUPOAQCXVMH-UHFFFAOYSA-N 0 0 430.323 5.540 50 0 IKAARN Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012441986 525117260 /nfs/dbraw/zinc/11/72/60/525117260.db2.gz FLWFRYCSCHCXEC-UHFFFAOYSA-N 0 0 436.556 5.598 50 0 IKAARN Cc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc2ccccc2o1 ZINC000016282596 525121312 /nfs/dbraw/zinc/12/13/12/525121312.db2.gz JPAQBGKDIGGTBV-UHFFFAOYSA-N 0 0 442.559 6.539 50 0 IKAARN C[C@@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000035891949 525127477 /nfs/dbraw/zinc/12/74/77/525127477.db2.gz VVLWCRAQZGPXQV-OXQOHEQNSA-N 0 0 437.370 6.874 50 0 IKAARN C[C@@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000035908416 525129710 /nfs/dbraw/zinc/12/97/10/525129710.db2.gz SFXZQUJFEUOKMP-UTKZUKDTSA-N 0 0 436.477 6.586 50 0 IKAARN COc1ccc([C@@H](C)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036034029 525130056 /nfs/dbraw/zinc/13/00/56/525130056.db2.gz YOIYEXGSSVTELR-QGZVFWFLSA-N 0 0 445.968 5.622 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809800 525135452 /nfs/dbraw/zinc/13/54/52/525135452.db2.gz YYLWTDOECTZOBX-AREMUKBSSA-N 0 0 449.620 5.265 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021809363 525135544 /nfs/dbraw/zinc/13/55/44/525135544.db2.gz RUUJVLVZKWBQPL-STTRJGPESA-N 0 0 449.620 5.121 50 0 IKAARN Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3c(F)cccc3F)c2)C1=O ZINC000034735325 525141196 /nfs/dbraw/zinc/14/11/96/525141196.db2.gz HCFXGTDTMBBZRY-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000015724803 525144871 /nfs/dbraw/zinc/14/48/71/525144871.db2.gz IVZXDMVMZOSNPQ-XMMPIXPASA-N 0 0 433.914 6.448 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c(Cl)c1 ZINC000021047436 525145441 /nfs/dbraw/zinc/14/54/41/525145441.db2.gz BMSQCTPBQGFWIU-QHCPKHFHSA-N 0 0 437.008 6.768 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)cc1C ZINC000021888655 525148509 /nfs/dbraw/zinc/14/85/09/525148509.db2.gz ISYZTPDFKWWLFB-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1F ZINC000021536181 525148635 /nfs/dbraw/zinc/14/86/35/525148635.db2.gz IBBLQWPNNAVWNJ-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000021888695 525149040 /nfs/dbraw/zinc/14/90/40/525149040.db2.gz OTDJCXUHITYNBW-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2Cl)cc1F ZINC000021536786 525149073 /nfs/dbraw/zinc/14/90/73/525149073.db2.gz AXFNOYQROMJMRW-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)c(C)c1 ZINC000021893935 525149206 /nfs/dbraw/zinc/14/92/06/525149206.db2.gz CMHJSABLSABQAB-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000021888692 525149766 /nfs/dbraw/zinc/14/97/66/525149766.db2.gz OTDJCXUHITYNBW-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000015732144 525149914 /nfs/dbraw/zinc/14/99/14/525149914.db2.gz FYGSRHLNAYVRBK-LJAQVGFWSA-N 0 0 449.598 7.355 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2cccc(F)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033062430 525184722 /nfs/dbraw/zinc/18/47/22/525184722.db2.gz ROHQGLZJSHFSQB-HXUWFJFHSA-N 0 0 433.483 5.278 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1Cl ZINC000021156698 525184977 /nfs/dbraw/zinc/18/49/77/525184977.db2.gz OPPMFXSLIAVCNY-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067923 525185233 /nfs/dbraw/zinc/18/52/33/525185233.db2.gz HEPLDJMZVXYWOG-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(Cl)c1 ZINC000033008215 525185274 /nfs/dbraw/zinc/18/52/74/525185274.db2.gz IHXAALKVHDWAOA-UHFFFAOYSA-N 0 0 436.924 6.154 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(Nc4ccc(C)cc4)nc(C)n3)cc2)cc1 ZINC000021795652 525185459 /nfs/dbraw/zinc/18/54/59/525185459.db2.gz JQCIDUWMFVLYIB-UHFFFAOYSA-N 0 0 438.535 6.533 50 0 IKAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000021784725 525185633 /nfs/dbraw/zinc/18/56/33/525185633.db2.gz JHWLTHXMSXYIIY-LJQANCHMSA-N 0 0 435.549 5.044 50 0 IKAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3SCc3ccccc3)s2)cc1 ZINC000017046028 525187519 /nfs/dbraw/zinc/18/75/19/525187519.db2.gz TTWZFRPHIMETMU-UHFFFAOYSA-N 0 0 432.574 6.450 50 0 IKAARN Cc1ccccc1CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000012344201 525187545 /nfs/dbraw/zinc/18/75/45/525187545.db2.gz CAYOZGPJPKNNHH-UHFFFAOYSA-N 0 0 444.551 5.455 50 0 IKAARN COc1ccc([C@@H](NC(=O)CNc2ccccc2N2CCCCC2)c2ccccc2)cc1 ZINC000012577728 525195093 /nfs/dbraw/zinc/19/50/93/525195093.db2.gz PIFLFGGDLBDPAU-MHZLTWQESA-N 0 0 429.564 5.003 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nncn2-c2ccccc2)c2ccccc2)cc1Cl ZINC000002645665 525196472 /nfs/dbraw/zinc/19/64/72/525196472.db2.gz QARSUVURYWBXKT-NRFANRHFSA-N 0 0 434.952 5.701 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2C2CC2)c2ccccc2)cc1 ZINC000012679041 525197857 /nfs/dbraw/zinc/19/78/57/525197857.db2.gz VSPDKPBJIHIQPQ-NRFANRHFSA-N 0 0 446.601 6.122 50 0 IKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000020902757 525199166 /nfs/dbraw/zinc/19/91/66/525199166.db2.gz LGMPAKXNQUMCNM-RUZDIDTESA-N 0 0 435.955 5.163 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(F)cc1 ZINC000021527568 525200710 /nfs/dbraw/zinc/20/07/10/525200710.db2.gz WZEKDYMLMFLMMC-AREMUKBSSA-N 0 0 433.527 5.039 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000020387314 525201785 /nfs/dbraw/zinc/20/17/85/525201785.db2.gz XPZHAQUVNKWZMF-AREMUKBSSA-N 0 0 438.999 5.526 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1c1cccc(F)c1 ZINC000021809641 525202478 /nfs/dbraw/zinc/20/24/78/525202478.db2.gz WCFCHIDAAYMYBK-XMMPIXPASA-N 0 0 439.556 5.100 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000021526444 525202618 /nfs/dbraw/zinc/20/26/18/525202618.db2.gz MSYNWXMUBSIHMU-XMMPIXPASA-N 0 0 439.943 5.146 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Nc3cccc(C(F)(F)F)c3)nc3ccccc32)C1 ZINC000020731898 525206839 /nfs/dbraw/zinc/20/68/39/525206839.db2.gz QIVRJMIGUDDMPJ-HZPDHXFCSA-N 0 0 427.470 6.115 50 0 IKAARN Cc1ccccc1Cn1c2ccc(F)cc2c2ncn(C[C@@H](C)c3ccccc3)c(=O)c21 ZINC000035400479 525209733 /nfs/dbraw/zinc/20/97/33/525209733.db2.gz LKCTXFQTPKHJSY-LJQANCHMSA-N 0 0 425.507 5.651 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000021160268 525212146 /nfs/dbraw/zinc/21/21/46/525212146.db2.gz CHDQZAXXMMTYCL-XUZZJYLKSA-N 0 0 444.623 5.304 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)cc1Cl ZINC000002645664 525217771 /nfs/dbraw/zinc/21/77/71/525217771.db2.gz QARSUVURYWBXKT-OAQYLSRUSA-N 0 0 434.952 5.701 50 0 IKAARN Cc1ccccc1N1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2S1(=O)=O ZINC000021657857 525221492 /nfs/dbraw/zinc/22/14/92/525221492.db2.gz MHPGWIKIAUBWOX-UHFFFAOYSA-N 0 0 434.561 5.628 50 0 IKAARN Cc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c(Cl)c1 ZINC000021915242 525228077 /nfs/dbraw/zinc/22/80/77/525228077.db2.gz SOKDIIZXQOSXHS-UHFFFAOYSA-N 0 0 433.939 5.737 50 0 IKAARN Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@]3(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000251260435 525228123 /nfs/dbraw/zinc/22/81/23/525228123.db2.gz FYMSBJFVTRXSRW-BYXVTNLJSA-N 0 0 445.902 5.179 50 0 IKAARN Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Br)c1 ZINC000012483215 525230729 /nfs/dbraw/zinc/23/07/29/525230729.db2.gz BWHWBCSSEVPDGN-UHFFFAOYSA-N 0 0 426.154 6.047 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 ZINC000034728858 525237020 /nfs/dbraw/zinc/23/70/20/525237020.db2.gz QKOYMKFBYBUKCW-UHFFFAOYSA-N 0 0 449.501 5.249 50 0 IKAARN Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)n(-c2ccccc2)n1 ZINC000036616629 525240445 /nfs/dbraw/zinc/24/04/45/525240445.db2.gz SHKIGFSFUNIVNX-UHFFFAOYSA-N 0 0 448.530 5.353 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(N[C@@H]3c4ccccc4C(=O)N3CC(C)C)cc2)cc1C ZINC000035730713 525240936 /nfs/dbraw/zinc/24/09/36/525240936.db2.gz VABKXOQVLMWNNX-VWLOTQADSA-N 0 0 427.548 5.778 50 0 IKAARN Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 ZINC000020894896 525241126 /nfs/dbraw/zinc/24/11/26/525241126.db2.gz SAIZMJBSVFAFGE-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000012441850 525241425 /nfs/dbraw/zinc/24/14/25/525241425.db2.gz QMJZDGPQUNRUFL-UHFFFAOYSA-N 0 0 434.908 5.956 50 0 IKAARN Cc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@@H](C)c2nc3ccccc3n21 ZINC000020677083 525242492 /nfs/dbraw/zinc/24/24/92/525242492.db2.gz IAQHQTAHENHFRS-CYFREDJKSA-N 0 0 438.531 5.018 50 0 IKAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(C3CCCCC3)o2)cs1 ZINC000013128443 525244705 /nfs/dbraw/zinc/24/47/05/525244705.db2.gz OFTQUFIGINNIJK-UHFFFAOYSA-N 0 0 428.583 5.356 50 0 IKAARN COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)c(OC)c1 ZINC000012773056 525250581 /nfs/dbraw/zinc/25/05/81/525250581.db2.gz DAOKHLRSBJTPRG-IBGZPJMESA-N 0 0 444.988 5.083 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021536501 525250960 /nfs/dbraw/zinc/25/09/60/525250960.db2.gz LKDWJHVBICOXEJ-RUZDIDTESA-N 0 0 429.470 6.201 50 0 IKAARN COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)c2ccccc12 ZINC000020728786 525251238 /nfs/dbraw/zinc/25/12/38/525251238.db2.gz LQKDNTCCNBXOHV-LADGPHEKSA-N 0 0 434.923 5.946 50 0 IKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021536053 525251643 /nfs/dbraw/zinc/25/16/43/525251643.db2.gz XIDWGCAGPJTAQN-RUZDIDTESA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCC1 ZINC000033009792 525256699 /nfs/dbraw/zinc/25/66/99/525256699.db2.gz AJIOSWLLIUBGBY-UHFFFAOYSA-N 0 0 432.499 5.631 50 0 IKAARN Cc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1Cl ZINC000033088384 525257213 /nfs/dbraw/zinc/25/72/13/525257213.db2.gz VTBHKUYSUJTUIR-UHFFFAOYSA-N 0 0 449.795 5.163 50 0 IKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)oc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000041154457 525257404 /nfs/dbraw/zinc/25/74/04/525257404.db2.gz WGHNUIKIDHVUQQ-UHFFFAOYSA-N 0 0 432.501 5.044 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccc(C)c(C)c4)C3)s2)cc1 ZINC000033113291 525261479 /nfs/dbraw/zinc/26/14/79/525261479.db2.gz GHDALKQJLDUCRK-GOSISDBHSA-N 0 0 449.580 5.127 50 0 IKAARN Cc1ccc(NC(=O)c2nnc(CSc3nccn3-c3cccc(Cl)c3)s2)cc1 ZINC000012604258 525261577 /nfs/dbraw/zinc/26/15/77/525261577.db2.gz AGOBKFMMJQMSFI-UHFFFAOYSA-N 0 0 441.969 5.230 50 0 IKAARN Cc1ccccc1NC(=S)N(CCCN1CCOCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000020729598 525266948 /nfs/dbraw/zinc/26/69/48/525266948.db2.gz KZGBXWULBFRZAC-FQEVSTJZSA-N 0 0 437.609 5.224 50 0 IKAARN COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012193983 525270498 /nfs/dbraw/zinc/27/04/98/525270498.db2.gz RSQJJSXNXBRMGB-VWNXMTODSA-N 0 0 439.342 6.553 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000017265447 525270888 /nfs/dbraw/zinc/27/08/88/525270888.db2.gz GGVLFDRIUMBEKG-VWNXMTODSA-N 0 0 449.348 6.008 50 0 IKAARN C[C@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nnc2ccccn21 ZINC000012679070 525274025 /nfs/dbraw/zinc/27/40/25/525274025.db2.gz AMLAYPRWCKLUEW-KRWDZBQOSA-N 0 0 442.544 5.400 50 0 IKAARN Cc1ccc(NCCC(=O)c2ccc(C(=O)CCNc3ccc(C)c(C)c3)cc2)cc1C ZINC000012462257 525274076 /nfs/dbraw/zinc/27/40/76/525274076.db2.gz WTWCCVPCDVISSJ-UHFFFAOYSA-N 0 0 428.576 6.290 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)cc1C ZINC000012584872 525276419 /nfs/dbraw/zinc/27/64/19/525276419.db2.gz YGAKHPBJFCMUGX-XMMPIXPASA-N 0 0 430.577 5.145 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000021879987 525276731 /nfs/dbraw/zinc/27/67/31/525276731.db2.gz MDUCUCNSQJWTEA-XMMPIXPASA-N 0 0 433.458 5.634 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)cc1C ZINC000020455000 525277203 /nfs/dbraw/zinc/27/72/03/525277203.db2.gz UJCIPDXIDCSKPT-HHHXNRCGSA-N 0 0 449.558 5.213 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000015725329 525277792 /nfs/dbraw/zinc/27/77/92/525277792.db2.gz ZHFAWGAFKMWYCX-AREMUKBSSA-N 0 0 441.531 5.673 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2OC)cc1 ZINC000021891971 525281282 /nfs/dbraw/zinc/28/12/82/525281282.db2.gz KVHJKJQTCVESNV-AREMUKBSSA-N 0 0 439.515 5.632 50 0 IKAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000012344253 525281349 /nfs/dbraw/zinc/28/13/49/525281349.db2.gz ZNOWYEAAYHOXKD-OAQYLSRUSA-N 0 0 446.334 5.449 50 0 IKAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000022672614 525281459 /nfs/dbraw/zinc/28/14/59/525281459.db2.gz ZKCTXOYDONMWNH-WXTAPIANSA-N 0 0 439.596 5.649 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc21 ZINC000012843650 525281735 /nfs/dbraw/zinc/28/17/35/525281735.db2.gz JAGXNZOJBMNJDD-UHFFFAOYSA-N 0 0 430.957 5.409 50 0 IKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000021782153 525281690 /nfs/dbraw/zinc/28/16/90/525281690.db2.gz QWGMGXOBSHWWOC-HHHXNRCGSA-N 0 0 437.543 6.240 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1 ZINC000012641769 525295562 /nfs/dbraw/zinc/29/55/62/525295562.db2.gz HPAVLXZEDPMNSZ-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c(Br)c1 ZINC000021034082 525297315 /nfs/dbraw/zinc/29/73/15/525297315.db2.gz ROTXDKJTZDBSPN-UHFFFAOYSA-N 0 0 447.354 5.399 50 0 IKAARN Cc1cc(Nc2ccc(C(N)=O)cc2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000015670907 525305845 /nfs/dbraw/zinc/30/58/45/525305845.db2.gz RMHGTDNVUXQZSW-UHFFFAOYSA-N 0 0 445.832 5.219 50 0 IKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3cccc(F)c3)cc12 ZINC000020532835 525306941 /nfs/dbraw/zinc/30/69/41/525306941.db2.gz CWTMSERTPDDIFK-UHFFFAOYSA-N 0 0 439.412 6.697 50 0 IKAARN Cc1cc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)ccc1Br ZINC000016282236 525308165 /nfs/dbraw/zinc/30/81/65/525308165.db2.gz YULBASCDIDKHRH-UHFFFAOYSA-N 0 0 448.792 5.637 50 0 IKAARN Cc1ccccc1OCc1nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n[nH]1 ZINC000012915593 525317026 /nfs/dbraw/zinc/31/70/26/525317026.db2.gz YUXWEKQZXUOPAJ-UHFFFAOYSA-N 0 0 430.533 5.237 50 0 IKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)cc1Cl ZINC000035616253 525320188 /nfs/dbraw/zinc/32/01/88/525320188.db2.gz KQHGGYZMKOMYLN-UHFFFAOYSA-N 0 0 429.705 5.570 50 0 IKAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000012568858 525320823 /nfs/dbraw/zinc/32/08/23/525320823.db2.gz SFMZABOHXHLYHZ-MUUNZHRXSA-N 0 0 449.510 5.059 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)nc(C)n2)cc1 ZINC000021795657 525322992 /nfs/dbraw/zinc/32/29/92/525322992.db2.gz NZHFCCLERTXTLG-UHFFFAOYSA-N 0 0 442.498 6.364 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CCC4CCCCC4)cc3)n2)cc1 ZINC000017042747 525323563 /nfs/dbraw/zinc/32/35/63/525323563.db2.gz UWBAFKCZJDKYEK-UHFFFAOYSA-N 0 0 443.595 6.880 50 0 IKAARN Cc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)cc1Cl ZINC000024203597 525324608 /nfs/dbraw/zinc/32/46/08/525324608.db2.gz BDMSKWFKASAVER-UHFFFAOYSA-N 0 0 428.989 5.108 50 0 IKAARN Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc3nc4ccccc4[nH]3)n2)cc1 ZINC000012461711 525327801 /nfs/dbraw/zinc/32/78/01/525327801.db2.gz RMDLTOUPBNWZGD-UHFFFAOYSA-N 0 0 439.548 6.003 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578279 525342198 /nfs/dbraw/zinc/34/21/98/525342198.db2.gz DPKNCADMTVLJIG-UHFFFAOYSA-N 0 0 441.000 5.545 50 0 IKAARN Cc1ccc(OC(=O)c2ccc(OC(C)C)c(Br)c2)c(Br)c1 ZINC000012404113 525367260 /nfs/dbraw/zinc/36/72/60/525367260.db2.gz XQUQJHWTKSXZRH-UHFFFAOYSA-N 0 0 428.120 5.526 50 0 IKAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)C1 ZINC000012228808 525380626 /nfs/dbraw/zinc/38/06/26/525380626.db2.gz YLPILVUSTREZFH-XMMPIXPASA-N 0 0 436.559 5.244 50 0 IKAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000015671007 525382120 /nfs/dbraw/zinc/38/21/20/525382120.db2.gz UXFSWPNIAVMKDM-SFHVURJKSA-N 0 0 440.425 5.294 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)c2c1[C@H](C)CC2=O ZINC000012746535 525395811 /nfs/dbraw/zinc/39/58/11/525395811.db2.gz SKLCKHPLEDVWHV-QGZVFWFLSA-N 0 0 432.545 5.390 50 0 IKAARN Cc1ccc(OCC(=O)Nc2cccc(N3CCn4c5ccc(Cl)cc5nc4C3)c2)cc1 ZINC000033320641 525396130 /nfs/dbraw/zinc/39/61/30/525396130.db2.gz IAWUZPPNHPSIGW-UHFFFAOYSA-N 0 0 446.938 5.036 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1 ZINC000021705470 525408482 /nfs/dbraw/zinc/40/84/82/525408482.db2.gz KOKXHUBCZSCMMY-JGZYNSJSSA-N 0 0 439.405 5.275 50 0 IKAARN Cc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1C ZINC000012539300 525409887 /nfs/dbraw/zinc/40/98/87/525409887.db2.gz NIIIHWCSDZGKLD-UHFFFAOYSA-N 0 0 431.536 5.378 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2Cc2ccccc2)cc1OC ZINC000012773481 525411312 /nfs/dbraw/zinc/41/13/12/525411312.db2.gz VQBKGUNUCRPAOD-HSZRJFAPSA-N 0 0 431.532 5.037 50 0 IKAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1OC ZINC000012823552 525412590 /nfs/dbraw/zinc/41/25/90/525412590.db2.gz IXVGCVVVNAVMJK-OAQYLSRUSA-N 0 0 443.503 5.193 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(C)c1C ZINC000017121950 525424445 /nfs/dbraw/zinc/42/44/45/525424445.db2.gz OSZRYYIZVJKWNF-UHFFFAOYSA-N 0 0 431.605 6.436 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)NCCc1ccccc1 ZINC000017121862 525424784 /nfs/dbraw/zinc/42/47/84/525424784.db2.gz JNBCZPHFZYWOFD-UHFFFAOYSA-N 0 0 442.632 5.342 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 ZINC000033004223 525427410 /nfs/dbraw/zinc/42/74/10/525427410.db2.gz QGLMEABNEQBUOT-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccc(F)cc1 ZINC000012514144 525428512 /nfs/dbraw/zinc/42/85/12/525428512.db2.gz NEMUUGPTBADCGF-UHFFFAOYSA-N 0 0 436.531 5.591 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(C)c1 ZINC000017135406 525429087 /nfs/dbraw/zinc/42/90/87/525429087.db2.gz DDPLHGBXMXEKFL-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000012372316 525430570 /nfs/dbraw/zinc/43/05/70/525430570.db2.gz ZKSWIMLPIFJLBW-UHFFFAOYSA-N 0 0 448.466 5.049 50 0 IKAARN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](Nc1cc(C)ccn1)c1ccccn1 ZINC000021659622 525431175 /nfs/dbraw/zinc/43/11/75/525431175.db2.gz FPNUDDKOIGOCIH-VWLOTQADSA-N 0 0 437.503 5.622 50 0 IKAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1OC ZINC000012196784 525432300 /nfs/dbraw/zinc/43/23/00/525432300.db2.gz TXROMJPSJISKAU-CJFMBICVSA-N 0 0 434.467 5.094 50 0 IKAARN Cc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000012561476 525432308 /nfs/dbraw/zinc/43/23/08/525432308.db2.gz OOJODHAHDJENCN-HSZRJFAPSA-N 0 0 445.588 5.392 50 0 IKAARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033070527 525432779 /nfs/dbraw/zinc/43/27/79/525432779.db2.gz KTEGELZBDFKZTG-UHFFFAOYSA-N 0 0 426.904 5.228 50 0 IKAARN Cc1cc(SCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)nc2ccccc12 ZINC000020036756 525433438 /nfs/dbraw/zinc/43/34/38/525433438.db2.gz YDMQTQKIHIZQRQ-UHFFFAOYSA-N 0 0 441.581 6.551 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000015724870 525438299 /nfs/dbraw/zinc/43/82/99/525438299.db2.gz DZWBNFUAWOMVKO-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN Cc1cc(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc12 ZINC000012658669 525439197 /nfs/dbraw/zinc/43/91/97/525439197.db2.gz RKEUVDOZOQTFFI-NSHDSACASA-N 0 0 425.768 6.623 50 0 IKAARN COc1ccc([C@](O)(CCC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446977 525444342 /nfs/dbraw/zinc/44/43/42/525444342.db2.gz BKARIVRTTVHMED-JWQCQUIFSA-N 0 0 432.004 5.088 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Cl)c1 ZINC000021894060 525448688 /nfs/dbraw/zinc/44/86/88/525448688.db2.gz SFGDAEOBMQEVDS-VWLOTQADSA-N 0 0 427.935 6.576 50 0 IKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000021536828 525449058 /nfs/dbraw/zinc/44/90/58/525449058.db2.gz LAKCICPSPSUGSX-VWLOTQADSA-N 0 0 445.925 6.715 50 0 IKAARN Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000012905201 525476454 /nfs/dbraw/zinc/47/64/54/525476454.db2.gz DVSOZNFGFFPICE-UHFFFAOYSA-N 0 0 429.303 5.463 50 0 IKAARN Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000035987472 525479379 /nfs/dbraw/zinc/47/93/79/525479379.db2.gz QVZANTKNDGEELP-UHFFFAOYSA-N 0 0 427.479 5.622 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(F)cc1)[C@@H]3c1ccc(C)cc1 ZINC000021880190 525481826 /nfs/dbraw/zinc/48/18/26/525481826.db2.gz QSSASFQBQRCHKE-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cccc(F)c1)[C@@H]3c1ccc(C)cc1 ZINC000021779627 525482947 /nfs/dbraw/zinc/48/29/47/525482947.db2.gz AOJHPZBZTAYYAC-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476964 525482805 /nfs/dbraw/zinc/48/28/05/525482805.db2.gz VIUWVYKESWJMJK-FQEVSTJZSA-N 0 0 434.590 5.979 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1F)[C@@H]3c1ccc(C)cc1 ZINC000021880198 525483579 /nfs/dbraw/zinc/48/35/79/525483579.db2.gz IXXJKUWQBVWFRL-RUZDIDTESA-N 0 0 429.495 5.804 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(N(C)C)cc1)[C@@H]3c1ccc(F)cc1 ZINC000021779976 525484096 /nfs/dbraw/zinc/48/40/96/525484096.db2.gz VJUQQLGJGQNREX-AREMUKBSSA-N 0 0 443.522 5.170 50 0 IKAARN C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(Cl)cc1 ZINC000012739529 525488672 /nfs/dbraw/zinc/48/86/72/525488672.db2.gz UNAUDTFDRASUOL-LBPRGKRZSA-N 0 0 430.360 5.809 50 0 IKAARN COc1ccc2c(C)cc(S[C@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2c1 ZINC000012541279 525496550 /nfs/dbraw/zinc/49/65/50/525496550.db2.gz OOYQLYGZIMONNL-NRFANRHFSA-N 0 0 438.524 5.005 50 0 IKAARN COc1ccc2c(C)cc(S[C@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)nc2c1 ZINC000012546904 525496617 /nfs/dbraw/zinc/49/66/17/525496617.db2.gz UKBPFEXGKQSHHY-MHZLTWQESA-N 0 0 438.552 6.749 50 0 IKAARN Cc1c(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998606 525502733 /nfs/dbraw/zinc/50/27/33/525502733.db2.gz DVWNIZXYNZYVBT-UHFFFAOYSA-N 0 0 428.511 5.598 50 0 IKAARN COc1ccc2c(c1)-c1sc(C(=O)N[C@H](C)c3ccc(Br)cc3)cc1CC2 ZINC000023429687 525505997 /nfs/dbraw/zinc/50/59/97/525505997.db2.gz KYIGRKYKJOOIBP-CYBMUJFWSA-N 0 0 442.378 5.776 50 0 IKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000035684908 525506826 /nfs/dbraw/zinc/50/68/26/525506826.db2.gz VHDLSNPYQYWDDZ-CQSZACIVSA-N 0 0 434.805 5.101 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C(=O)Nc4ccccc4)CC3)c12 ZINC000012680157 525508655 /nfs/dbraw/zinc/50/86/55/525508655.db2.gz UPKKPUIVKSYCEF-UHFFFAOYSA-N 0 0 428.561 5.522 50 0 IKAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1cccc(C)c1C ZINC000020848614 525513721 /nfs/dbraw/zinc/51/37/21/525513721.db2.gz ZZPYAMIMHMFFFK-UHFFFAOYSA-N 0 0 446.580 5.261 50 0 IKAARN Cc1c(Br)sc2nc(C3C4CC5CC(C4)CC3C5)c(Br)n12 ZINC000069527674 525529788 /nfs/dbraw/zinc/52/97/88/525529788.db2.gz KUGQXGNPMVGZKP-UHFFFAOYSA-N 0 0 430.209 5.769 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000012658290 525530897 /nfs/dbraw/zinc/53/08/97/525530897.db2.gz AIDSZGWOPQJTKW-LJQANCHMSA-N 0 0 427.573 5.349 50 0 IKAARN Cc1cc([C@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000035476951 525537526 /nfs/dbraw/zinc/53/75/26/525537526.db2.gz PBBSAVMDKJLZRX-HSZRJFAPSA-N 0 0 442.588 6.226 50 0 IKAARN Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020734095 525541408 /nfs/dbraw/zinc/54/14/08/525541408.db2.gz CRFQIAIMETYMQW-HSZRJFAPSA-N 0 0 425.532 5.476 50 0 IKAARN Cc1cccnc1NC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C ZINC000012524540 525543966 /nfs/dbraw/zinc/54/39/66/525543966.db2.gz SBBPKDFZARDHND-UHFFFAOYSA-N 0 0 449.649 6.669 50 0 IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC1)c1cccn1-2 ZINC000035399575 525550392 /nfs/dbraw/zinc/55/03/92/525550392.db2.gz OSTTZRVFSGBNJU-UHFFFAOYSA-N 0 0 429.564 5.340 50 0 biogenic IKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(Cl)ccc3C)CC1)c1cccn1-2 ZINC000035446878 525551314 /nfs/dbraw/zinc/55/13/14/525551314.db2.gz USPLAOOIFLELGA-UHFFFAOYSA-N 0 0 436.943 5.396 50 0 biogenic IKAARN Cc1c(C(=O)N(C)[C@H](C)c2cccs2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012456638 525561002 /nfs/dbraw/zinc/56/10/02/525561002.db2.gz YEPWNOOBDBJBHZ-QGZVFWFLSA-N 0 0 443.576 5.021 50 0 IKAARN Cc1cc2[nH]c(C(=O)N3CCC(n4cnc5cc(C(F)(F)F)ccc54)CC3)cc2c(C)c1 ZINC000034915318 525580139 /nfs/dbraw/zinc/58/01/39/525580139.db2.gz VIDYJBHTHUUAIF-UHFFFAOYSA-N 0 0 440.469 5.631 50 0 IKAARN CSCC[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000012529318 525587128 /nfs/dbraw/zinc/58/71/28/525587128.db2.gz QCRKGHMKMJFGFZ-INIZCTEOSA-N 0 0 440.421 5.572 50 0 IKAARN Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020464723 525593619 /nfs/dbraw/zinc/59/36/19/525593619.db2.gz ADXQNXZVELDJHM-UHFFFAOYSA-N 0 0 429.516 5.608 50 0 biogenic IKAARN Cc1c(C(=O)N2CCc3ccccc32)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671835 525594198 /nfs/dbraw/zinc/59/41/98/525594198.db2.gz JZWYQUOKKYHYGN-UHFFFAOYSA-N 0 0 429.516 5.858 50 0 biogenic IKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@H](C)CCc1ccccc1)c2Sc1ccc(C)cc1 ZINC000020466816 525597160 /nfs/dbraw/zinc/59/71/60/525597160.db2.gz MBHPXRNUIYWGOB-LJQANCHMSA-N 0 0 444.600 6.387 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCCCc1ccccc1)c2Sc1ccc(C)cc1 ZINC000020466811 525597897 /nfs/dbraw/zinc/59/78/97/525597897.db2.gz YUHHBDYUOHFEGT-UHFFFAOYSA-N 0 0 430.573 5.999 50 0 IKAARN Cc1c(C(=O)NC2CCCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417970 525602521 /nfs/dbraw/zinc/60/25/21/525602521.db2.gz NFWAXIURCZXSPT-RUZDIDTESA-N 0 0 437.923 5.948 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccc(OC(=O)c3ccccc3C)cc1)c2NC1CCCCC1 ZINC000035703033 525609768 /nfs/dbraw/zinc/60/97/68/525609768.db2.gz OBMSXUSOOGLVEY-UHFFFAOYSA-N 0 0 439.559 6.582 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882961 525611437 /nfs/dbraw/zinc/61/14/37/525611437.db2.gz DDOVLEBQPZTCCD-XDHUDOTRSA-N 0 0 444.506 5.265 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882883 525611474 /nfs/dbraw/zinc/61/14/74/525611474.db2.gz ASNKDXYBRIEJPW-XDHUDOTRSA-N 0 0 444.506 5.265 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884083 525611642 /nfs/dbraw/zinc/61/16/42/525611642.db2.gz ZYLKRFWBUFWFSP-HNNXBMFYSA-N 0 0 438.886 5.041 50 0 IKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccccc2F)C1=O ZINC000035884523 525612807 /nfs/dbraw/zinc/61/28/07/525612807.db2.gz QYICZYRJTKGDNL-HNNXBMFYSA-N 0 0 438.886 5.041 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(c2cc(C)ccc2C)C3=O)o1 ZINC000015675900 525617774 /nfs/dbraw/zinc/61/77/74/525617774.db2.gz WWIWQGLGJYBZKE-MHZLTWQESA-N 0 0 447.579 5.418 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(c2ccc(C)cc2)C3=O)o1 ZINC000021526833 525617962 /nfs/dbraw/zinc/61/79/62/525617962.db2.gz NOUPIWQWGNSKBP-AREMUKBSSA-N 0 0 433.552 5.109 50 0 IKAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(C[C@@H](C)c2ccccc2)C3=O)o1 ZINC000021810786 525618880 /nfs/dbraw/zinc/61/88/80/525618880.db2.gz VSEDBXSPLOPKSB-DNOBIOAJSA-N 0 0 447.579 5.010 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(Cc2ccccc2C)C3=O)o1 ZINC000021526854 525619310 /nfs/dbraw/zinc/61/93/10/525619310.db2.gz YBHUMSVEHTVCAD-MHZLTWQESA-N 0 0 447.579 5.105 50 0 IKAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C3=O)o1 ZINC000021526772 525619323 /nfs/dbraw/zinc/61/93/23/525619323.db2.gz WOJUNESRUVEMBT-MHZLTWQESA-N 0 0 447.579 5.105 50 0 IKAARN COc1ccc2cc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc54)C3)n(C)c2c1 ZINC000012449208 525620827 /nfs/dbraw/zinc/62/08/27/525620827.db2.gz HJKIEPITAKCUKT-FQEVSTJZSA-N 0 0 426.516 5.075 50 0 IKAARN COc1ccc2cc(C(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)ccc2c1 ZINC000012568806 525623510 /nfs/dbraw/zinc/62/35/10/525623510.db2.gz CUMXYWWXDVGJDX-UHFFFAOYSA-N 0 0 426.472 5.362 50 0 IKAARN COc1ccc2cc(CN(C)C(=O)COc3cccc(Oc4ccccn4)c3)ccc2c1 ZINC000012536902 525626812 /nfs/dbraw/zinc/62/68/12/525626812.db2.gz LCHQYWAGPHYXQC-UHFFFAOYSA-N 0 0 428.488 5.073 50 0 IKAARN Cc1c(C(=O)NCc2cccc(C)c2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490077 525627848 /nfs/dbraw/zinc/62/78/48/525627848.db2.gz VTJGQWGTUDWNNU-UHFFFAOYSA-N 0 0 445.950 5.490 50 0 IKAARN Cc1c(C(=O)NCc2ccc(OC(C)C)cc2)sc2ncnc(N3CCCCCC3)c12 ZINC000021116030 525628294 /nfs/dbraw/zinc/62/82/94/525628294.db2.gz NIWMEKNVLRHXOS-UHFFFAOYSA-N 0 0 438.597 5.097 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000012338511 525630133 /nfs/dbraw/zinc/63/01/33/525630133.db2.gz OATUGQVRSFARFU-WUMKDDEVSA-N 0 0 440.609 5.172 50 0 IKAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000012854158 525637898 /nfs/dbraw/zinc/63/78/98/525637898.db2.gz HUYOWCZSBSDDCH-UHFFFAOYSA-N 0 0 438.530 5.034 50 0 IKAARN Cc1c(C(=O)N[C@H]2CCCc3ccccc32)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078878 525646380 /nfs/dbraw/zinc/64/63/80/525646380.db2.gz SRFCIPWKRMGEPN-FQEVSTJZSA-N 0 0 434.609 5.576 50 0 IKAARN Cc1ccc(SCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000016310956 525650708 /nfs/dbraw/zinc/65/07/08/525650708.db2.gz QLRGOOMWBMNVQZ-UHFFFAOYSA-N 0 0 430.617 5.411 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000020464754 525652442 /nfs/dbraw/zinc/65/24/42/525652442.db2.gz PPMWDNXYVSSHGX-UHFFFAOYSA-N 0 0 431.532 6.524 50 0 biogenic IKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490142 525652497 /nfs/dbraw/zinc/65/24/97/525652497.db2.gz HSDQETDBOORIIW-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490075 525653801 /nfs/dbraw/zinc/65/38/01/525653801.db2.gz VVUAHGOYMPJQET-UHFFFAOYSA-N 0 0 445.950 6.121 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(F)cc1)O3 ZINC000020418118 525655370 /nfs/dbraw/zinc/65/53/70/525655370.db2.gz MZAUDHSLYXHIAR-AREMUKBSSA-N 0 0 447.437 6.152 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(Cl)ccc3F)sc2c1 ZINC000021660627 525656677 /nfs/dbraw/zinc/65/66/77/525656677.db2.gz SAJHHRKLAXCPAO-AWEZNQCLSA-N 0 0 442.903 5.066 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Br)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992472 525658668 /nfs/dbraw/zinc/65/86/68/525658668.db2.gz NKJZAUYGLYXHPI-UHFFFAOYSA-N 0 0 430.302 5.525 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000012274449 525659582 /nfs/dbraw/zinc/65/95/82/525659582.db2.gz OEHIOTAWLWKXRI-UHFFFAOYSA-N 0 0 443.894 5.598 50 0 IKAARN C[C@H](Nc1ccc(Sc2ccc(Br)cc2)cc1)C(=O)NCC1CCCCC1 ZINC000012550970 525660034 /nfs/dbraw/zinc/66/00/34/525660034.db2.gz MEGYYAONICXTMC-INIZCTEOSA-N 0 0 447.442 6.097 50 0 IKAARN Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)no2)cc1 ZINC000021540937 525662823 /nfs/dbraw/zinc/66/28/23/525662823.db2.gz BXMLLQVKPGJPCH-UHFFFAOYSA-N 0 0 447.926 5.163 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)n2)cc1 ZINC000032998993 525671164 /nfs/dbraw/zinc/67/11/64/525671164.db2.gz MZTMGOKFEYUZEZ-UHFFFAOYSA-N 0 0 431.492 5.084 50 0 IKAARN COc1ccc2nc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)sc2c1 ZINC000015882388 525673344 /nfs/dbraw/zinc/67/33/44/525673344.db2.gz NPWBKJHBZXQNFH-UHFFFAOYSA-N 0 0 445.544 5.060 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc(=O)n2o1 ZINC000041089706 525675619 /nfs/dbraw/zinc/67/56/19/525675619.db2.gz NYQQEZXYMKYNIU-UHFFFAOYSA-N 0 0 440.912 5.186 50 0 IKAARN Cc1cc2nc(CSc3ccc(NC(=O)c4cccc5ccccc54)cc3)cc(=O)n2o1 ZINC000035429565 525675735 /nfs/dbraw/zinc/67/57/35/525675735.db2.gz APXPJBGAQCQFDG-UHFFFAOYSA-N 0 0 441.512 5.294 50 0 IKAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccccc3Cl)cc(=O)n2o1 ZINC000035429611 525675886 /nfs/dbraw/zinc/67/58/86/525675886.db2.gz LWAHCTCHLZHTLU-UHFFFAOYSA-N 0 0 440.912 5.186 50 0 IKAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000021801192 525676431 /nfs/dbraw/zinc/67/64/31/525676431.db2.gz HMMXTUIHRGHUEK-UHFFFAOYSA-N 0 0 432.325 5.423 50 0 IKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2Cl)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012407569 525680208 /nfs/dbraw/zinc/68/02/08/525680208.db2.gz QLPXEAJVKOHVLT-UHFFFAOYSA-N 0 0 448.947 5.563 50 0 IKAARN COc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3SC(=S)NC3=O)cc2c1 ZINC000021596688 525680394 /nfs/dbraw/zinc/68/03/94/525680394.db2.gz ZULXOHAWSSQVKL-LICLKQGHSA-N 0 0 444.990 6.377 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccc(C)cc4)c3c2c1 ZINC000021541055 525681270 /nfs/dbraw/zinc/68/12/70/525681270.db2.gz FQVAHRGLYJACMX-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccc(C)cc4)c3c2c1 ZINC000020996419 525681447 /nfs/dbraw/zinc/68/14/47/525681447.db2.gz GFEKZXLHMMUZMA-UHFFFAOYSA-N 0 0 436.515 5.516 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccccc4C)c3c2c1 ZINC000020996461 525682470 /nfs/dbraw/zinc/68/24/70/525682470.db2.gz MHZGPNFGWDCUIO-UHFFFAOYSA-N 0 0 440.478 5.346 50 0 IKAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1Br ZINC000001168149 525688100 /nfs/dbraw/zinc/68/81/00/525688100.db2.gz IXBPRMJJMBUYKM-UHFFFAOYSA-N 0 0 441.716 5.397 50 0 IKAARN Cc1cc2oc(=O)cc(COC(=O)/C=C/c3ccc(Br)o3)c2cc1C(C)C ZINC000012896799 525690411 /nfs/dbraw/zinc/69/04/11/525690411.db2.gz MWHWDPKDDSGXKC-FNORWQNLSA-N 0 0 431.282 5.337 50 0 IKAARN C[C@@H](Nc1ccc(Sc2ccc(Br)cc2)cc1)C(=O)NCC1CCCCC1 ZINC000012550969 525710163 /nfs/dbraw/zinc/71/01/63/525710163.db2.gz MEGYYAONICXTMC-MRXNPFEDSA-N 0 0 447.442 6.097 50 0 IKAARN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4csc(C(C)=O)c4)CC3)c2)c1 ZINC000012093783 525713226 /nfs/dbraw/zinc/71/32/26/525713226.db2.gz YJMUSLNQFAGDBB-UHFFFAOYSA-N 0 0 448.588 5.477 50 0 IKAARN Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3n2)cc1 ZINC000012250032 525713655 /nfs/dbraw/zinc/71/36/55/525713655.db2.gz QUODKVJLKONJFI-UHFFFAOYSA-N 0 0 444.943 6.998 50 0 IKAARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4C)c(N)c32)cc1 ZINC000012249995 525714561 /nfs/dbraw/zinc/71/45/61/525714561.db2.gz KEUNFEKBCOCTMP-UHFFFAOYSA-N 0 0 449.579 7.082 50 0 IKAARN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3csc(C(C)=O)c3)CC2)c1 ZINC000012477150 525714702 /nfs/dbraw/zinc/71/47/02/525714702.db2.gz ZPENVHBZSARZNU-UHFFFAOYSA-N 0 0 448.588 5.477 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc3c2COc2ccccc2-3)cc1 ZINC000020847345 525714852 /nfs/dbraw/zinc/71/48/52/525714852.db2.gz NCAYFVHIBWTIMR-UHFFFAOYSA-N 0 0 428.329 7.046 50 0 IKAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)C34CC5CC(CC(C5)C3)C4)n2)c1 ZINC000012442088 525718190 /nfs/dbraw/zinc/71/81/90/525718190.db2.gz JPQNEVCPUHWCPU-UHFFFAOYSA-N 0 0 448.592 5.468 50 0 IKAARN COc1cccc(-c2nc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)cs2)c1OC ZINC000012777322 525723323 /nfs/dbraw/zinc/72/33/23/525723323.db2.gz SHVCMBCQQNXDNG-UHFFFAOYSA-N 0 0 436.537 5.253 50 0 IKAARN Cc1c(C[NH2+]CCCN(C)c2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021025010 525723904 /nfs/dbraw/zinc/72/39/04/525723904.db2.gz QOMCXVKBYYNBTI-UHFFFAOYSA-N 0 0 425.960 5.062 50 0 IKAARN Cc1c(C[NH2+]CCCN(C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000021024481 525725962 /nfs/dbraw/zinc/72/59/62/525725962.db2.gz GGGGEUJCBHRFIF-UHFFFAOYSA-N 0 0 433.596 5.084 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c3c(C)noc3n2)s1 ZINC000012785480 525729815 /nfs/dbraw/zinc/72/98/15/525729815.db2.gz MLIBLYKZCQMPMF-UHFFFAOYSA-N 0 0 434.521 5.415 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)no2)c(C)c1 ZINC000036012862 525731379 /nfs/dbraw/zinc/73/13/79/525731379.db2.gz DLYFNLAHNCNYFI-UHFFFAOYSA-N 0 0 432.545 5.350 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccc4c(c3)OCO4)no2)cc1C ZINC000036001747 525731767 /nfs/dbraw/zinc/73/17/67/525731767.db2.gz CFCZVRBEGPYNOQ-UHFFFAOYSA-N 0 0 440.499 5.530 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccc(Cl)cc3)no2)c(C)c1 ZINC000036012388 525732287 /nfs/dbraw/zinc/73/22/87/525732287.db2.gz QTPOSTLDPZODBF-UHFFFAOYSA-N 0 0 448.925 6.594 50 0 IKAARN Cc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cccs3)no2)c(C)c1 ZINC000036012352 525732438 /nfs/dbraw/zinc/73/24/38/525732438.db2.gz ATWZLBOSFFHAOY-UHFFFAOYSA-N 0 0 446.528 5.591 50 0 IKAARN COc1cccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2-c2ccccc2)c1 ZINC000035840145 525733409 /nfs/dbraw/zinc/73/34/09/525733409.db2.gz FUFJZMUNLQSCOY-UHFFFAOYSA-N 0 0 441.478 6.254 50 0 IKAARN Cc1ccc(-c2cc3c(c(OC[C@H]4CCCCO4)c2)OCCN(C(=O)C(C)C)C3)s1 ZINC000012571321 525740604 /nfs/dbraw/zinc/74/06/04/525740604.db2.gz JWONQWYROJIAIR-HXUWFJFHSA-N 0 0 429.582 5.048 50 0 IKAARN Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCCO4)c2)OCCN(C(=O)C(C)C)C3)s1 ZINC000012571315 525741016 /nfs/dbraw/zinc/74/10/16/525741016.db2.gz JWONQWYROJIAIR-FQEVSTJZSA-N 0 0 429.582 5.048 50 0 IKAARN COc1cccc(-n2c(C)c(C)c3c4nc(-c5ccccc5Br)nn4cnc32)c1 ZINC000021801292 525744392 /nfs/dbraw/zinc/74/43/92/525744392.db2.gz MMHHBQCYLBPPOU-UHFFFAOYSA-N 0 0 448.324 5.123 50 0 IKAARN COc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 ZINC000012775080 525749674 /nfs/dbraw/zinc/74/96/74/525749674.db2.gz AEYSYPMBPGBZMQ-UHFFFAOYSA-N 0 0 436.920 5.023 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810530 525760111 /nfs/dbraw/zinc/76/01/11/525760111.db2.gz JOKCDUXOHFDEFP-DEOSSOPVSA-N 0 0 439.943 5.064 50 0 IKAARN COc1cccc(C=CC(=O)N(c2nc3ccccc3s2)c2ccc(C(C)=O)cc2)c1 ZINC000012794886 525761311 /nfs/dbraw/zinc/76/13/11/525761311.db2.gz IJUCHJWDPUUNPL-XNTDXEJSSA-N 0 0 428.513 5.886 50 0 IKAARN Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CCC(C)CC2)o1 ZINC000015860488 525762261 /nfs/dbraw/zinc/76/22/61/525762261.db2.gz SSQZXGSQWYYSME-GOSISDBHSA-N 0 0 431.001 5.968 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000021147509 525766566 /nfs/dbraw/zinc/76/65/66/525766566.db2.gz CAQAIHOJLKAQNA-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN Cc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000012461977 525767752 /nfs/dbraw/zinc/76/77/52/525767752.db2.gz BMCFPUJHQXYKKO-UHFFFAOYSA-N 0 0 439.562 7.743 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccccc3Br)o2)cc1C ZINC000021305242 525770272 /nfs/dbraw/zinc/77/02/72/525770272.db2.gz DTTWVPPBEJCHGE-INIZCTEOSA-N 0 0 427.342 5.531 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)n2)c(C)c1 ZINC000021363068 525778096 /nfs/dbraw/zinc/77/80/96/525778096.db2.gz ZSWWOCCEOFZLEQ-UHFFFAOYSA-N 0 0 437.293 6.233 50 0 IKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)n2)cc1 ZINC000021363322 525779274 /nfs/dbraw/zinc/77/92/74/525779274.db2.gz NJZULTWNOVHBGY-UHFFFAOYSA-N 0 0 448.320 6.724 50 0 IKAARN Cc1ccc(-c2csc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000012462024 525781661 /nfs/dbraw/zinc/78/16/61/525781661.db2.gz HGWNILLAVYORTO-UHFFFAOYSA-N 0 0 431.483 5.100 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022508433 525784350 /nfs/dbraw/zinc/78/43/50/525784350.db2.gz GMTITNFRUQRUIS-GDLZYMKVSA-N 0 0 437.587 5.343 50 0 IKAARN Cc1ccc(-c2n/c(=N\c3cccc(C)c3)sn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000012274162 525788385 /nfs/dbraw/zinc/78/83/85/525788385.db2.gz FYRKHZOSVDRPGH-HPNDGRJYSA-N 0 0 425.479 6.469 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1c1ccc(Cl)cc1 ZINC000035482102 525791664 /nfs/dbraw/zinc/79/16/64/525791664.db2.gz LHWOBZDFPDCPCI-QHCPKHFHSA-N 0 0 441.984 5.224 50 0 IKAARN Cc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c(C)c1 ZINC000021784252 525791857 /nfs/dbraw/zinc/79/18/57/525791857.db2.gz FXHBNXZIHHGLIY-KRWDZBQOSA-N 0 0 425.941 5.219 50 0 IKAARN COc1cccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)Cc2ccc(F)cc2)c1 ZINC000036012390 525791965 /nfs/dbraw/zinc/79/19/65/525791965.db2.gz PQSVYUCWNXCSGK-UHFFFAOYSA-N 0 0 444.506 5.949 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1cccs1 ZINC000021869173 525792093 /nfs/dbraw/zinc/79/20/93/525792093.db2.gz NBXIMSDSYNRKNZ-SANMLTNESA-N 0 0 447.604 5.080 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCCCC1 ZINC000021808408 525792217 /nfs/dbraw/zinc/79/22/17/525792217.db2.gz WRULXZAVTDYFRR-DEOSSOPVSA-N 0 0 427.614 5.089 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(F)cc1 ZINC000021527565 525794278 /nfs/dbraw/zinc/79/42/78/525794278.db2.gz WZEKDYMLMFLMMC-SANMLTNESA-N 0 0 433.527 5.039 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000021526656 525794719 /nfs/dbraw/zinc/79/47/19/525794719.db2.gz JBCOJGCSGXZHKL-VWLOTQADSA-N 0 0 425.573 5.011 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCCC3)no2)cc1C ZINC000035460635 525796010 /nfs/dbraw/zinc/79/60/10/525796010.db2.gz NPAJFDXCTUOAEV-UHFFFAOYSA-N 0 0 443.551 5.163 50 0 IKAARN Cc1ccc(-c2nc(C(=O)NCCOC34CC5CC(CC(C5)C3)C4)c3n2CCCCC3)cc1 ZINC000015677720 525800602 /nfs/dbraw/zinc/80/06/02/525800602.db2.gz MSCCQMPEJREDNY-UHFFFAOYSA-N 0 0 447.623 5.300 50 0 IKAARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000023443586 525808745 /nfs/dbraw/zinc/80/87/45/525808745.db2.gz FWJMTACZOQURAM-DEOSSOPVSA-N 0 0 437.923 5.154 50 0 IKAARN COc1cccc(C(=O)N2c3ccc(OC)cc3-c3c(=S)ssc3C2(C)C)c1 ZINC000001073254 525811460 /nfs/dbraw/zinc/81/14/60/525811460.db2.gz XCZQINQQULDHAG-UHFFFAOYSA-N 0 0 429.588 6.119 50 0 IKAARN Cc1ccc(-c2nc(CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)cs2)cc1 ZINC000012869531 525815847 /nfs/dbraw/zinc/81/58/47/525815847.db2.gz OQMATIYUNHYCOH-UHFFFAOYSA-N 0 0 437.590 5.116 50 0 IKAARN Cc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000012853734 525816990 /nfs/dbraw/zinc/81/69/90/525816990.db2.gz ULYWSYMFBBDPPR-CYBMUJFWSA-N 0 0 437.417 6.686 50 0 IKAARN Cc1ccsc1C(=O)N1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000012748101 525817901 /nfs/dbraw/zinc/81/79/01/525817901.db2.gz RWZYBUFELLIGTI-UHFFFAOYSA-N 0 0 438.515 5.024 50 0 IKAARN Cc1ccc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000021150717 525820338 /nfs/dbraw/zinc/82/03/38/525820338.db2.gz BATOZZBDIWWPAH-NRFANRHFSA-N 0 0 432.474 5.620 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(Br)c2)cc1 ZINC000032950886 525825226 /nfs/dbraw/zinc/82/52/26/525825226.db2.gz VIOUYGAAIJWWPL-UHFFFAOYSA-N 0 0 449.352 5.596 50 0 IKAARN Cc1ccc(-c2nc3sc4c(c3c(OCC(=O)Nc3ccccc3F)n2)CCCC4)cc1 ZINC000015830001 525827850 /nfs/dbraw/zinc/82/78/50/525827850.db2.gz JTMPKGFEEMZWLJ-UHFFFAOYSA-N 0 0 447.535 5.702 50 0 IKAARN COc1cccc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccc(F)cc3)cc2)c1 ZINC000037385519 525831910 /nfs/dbraw/zinc/83/19/10/525831910.db2.gz HCUQWKYKAPXORT-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1cccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)c1 ZINC000035912265 525833513 /nfs/dbraw/zinc/83/35/13/525833513.db2.gz LBLKJFPCQIVZQK-RUZDIDTESA-N 0 0 432.545 5.343 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)cc1 ZINC000033025262 525835739 /nfs/dbraw/zinc/83/57/39/525835739.db2.gz HIDJKQNMXYHIAY-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCc4ccc(C(C)C)cc4)c3)n2)cc1 ZINC000033025294 525835972 /nfs/dbraw/zinc/83/59/72/525835972.db2.gz BHJOMNAZMMMCCS-UHFFFAOYSA-N 0 0 436.559 6.249 50 0 IKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)n2)cc1 ZINC000065063245 525836081 /nfs/dbraw/zinc/83/60/81/525836081.db2.gz PYBPPBHSTHJMPC-RUZDIDTESA-N 0 0 435.527 6.052 50 0 IKAARN COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)c2)c1 ZINC000035928068 525836562 /nfs/dbraw/zinc/83/65/62/525836562.db2.gz QAIDJZOWTFMJOE-DEOSSOPVSA-N 0 0 436.508 5.174 50 0 IKAARN COc1cccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccccc2C(C)C)c1 ZINC000035927590 525836764 /nfs/dbraw/zinc/83/67/64/525836764.db2.gz QTERQZQYRRIDAH-AREMUKBSSA-N 0 0 446.572 5.850 50 0 IKAARN COc1cccc(C(=O)Nc2noc(-c3cccc(OC)c3)c2-c2ccc(Cl)cc2)c1 ZINC000020853642 525839289 /nfs/dbraw/zinc/83/92/89/525839289.db2.gz HCWVQDAXCZQIGW-UHFFFAOYSA-N 0 0 434.879 5.932 50 0 IKAARN Cc1ccsc1CN(C)Cc1nnc(SCc2ccccc2C)n1C[C@@H]1CCCO1 ZINC000012155250 525839441 /nfs/dbraw/zinc/83/94/41/525839441.db2.gz SRCMIBKSBRJSIM-FQEVSTJZSA-N 0 0 442.654 5.060 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccccc4)cc(C(F)(F)F)c23)cc1 ZINC000012461934 525839964 /nfs/dbraw/zinc/83/99/64/525839964.db2.gz HWOGUJIXSHAIEG-UHFFFAOYSA-N 0 0 429.445 7.082 50 0 IKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3c2C)c1 ZINC000015729399 525840467 /nfs/dbraw/zinc/84/04/67/525840467.db2.gz APKYPSMUBWCONE-UHFFFAOYSA-N 0 0 441.527 6.531 50 0 IKAARN COc1cccc(C(=O)c2c(N)c(-c3nc(-c4ccc(C)cc4)cs3)c3ccccn32)c1 ZINC000020441890 525841177 /nfs/dbraw/zinc/84/11/77/525841177.db2.gz VWAKNEMWPQKKBE-UHFFFAOYSA-N 0 0 439.540 5.860 50 0 IKAARN Cc1ccc(-c2nnc(CCC(=O)N(Cc3scnc3C)Cc3ccccc3)o2)s1 ZINC000020862385 525843287 /nfs/dbraw/zinc/84/32/87/525843287.db2.gz KSVBKQCHHCUGCZ-UHFFFAOYSA-N 0 0 438.578 5.033 50 0 IKAARN Cc1ccc(-c2nnc(CSc3nnc(Nc4ccccc4)n3-c3ccccc3)o2)o1 ZINC000012462521 525845754 /nfs/dbraw/zinc/84/57/54/525845754.db2.gz XLOGLUYDMGSPBC-UHFFFAOYSA-N 0 0 430.493 5.255 50 0 IKAARN Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc32)cc1S(=O)(=O)NC(C)(C)C ZINC000001183565 525854898 /nfs/dbraw/zinc/85/48/98/525854898.db2.gz CXGIXSDZXUALSB-UHFFFAOYSA-N 0 0 446.576 5.426 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)c1 ZINC000012195580 525858872 /nfs/dbraw/zinc/85/88/72/525858872.db2.gz SASODPZEMGMLTA-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3c(C)cccc3C)C2)c1 ZINC000021147614 525859215 /nfs/dbraw/zinc/85/92/15/525859215.db2.gz ARCAOVCQMQZDCK-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN Cc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)cc1 ZINC000012569683 525860777 /nfs/dbraw/zinc/86/07/77/525860777.db2.gz OQQXSKJMHYGEEM-KBPBESRZSA-N 0 0 438.578 6.135 50 0 IKAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000032952949 525861389 /nfs/dbraw/zinc/86/13/89/525861389.db2.gz XEMRBDBFHGGYBF-UHFFFAOYSA-N 0 0 436.559 5.184 50 0 IKAARN Cc1ccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1 ZINC000021523662 525863712 /nfs/dbraw/zinc/86/37/12/525863712.db2.gz NFLVHFFUYCPJCU-QHCPKHFHSA-N 0 0 441.560 5.029 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000021892795 525866703 /nfs/dbraw/zinc/86/67/03/525866703.db2.gz UAAJLMCANNZUNU-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000015724732 525866882 /nfs/dbraw/zinc/86/68/82/525866882.db2.gz GCXAMHOSVKHEPH-XMMPIXPASA-N 0 0 449.476 6.675 50 0 IKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000021892829 525868285 /nfs/dbraw/zinc/86/82/85/525868285.db2.gz GRKSDDIZWVSOKQ-AREMUKBSSA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(-c2noc(-c3cc4cccc(OCc5ccccc5Cl)c4oc3=O)n2)cc1 ZINC000020849015 525870398 /nfs/dbraw/zinc/87/03/98/525870398.db2.gz ZACMERQVDFEUOE-UHFFFAOYSA-N 0 0 444.874 6.051 50 0 IKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3nc(C(C)C)cs3)n2)cc1 ZINC000035476127 525872062 /nfs/dbraw/zinc/87/20/62/525872062.db2.gz MNPUZNAVMXXWQU-UHFFFAOYSA-N 0 0 434.521 5.309 50 0 IKAARN C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012587469 525878833 /nfs/dbraw/zinc/87/88/33/525878833.db2.gz MAHDPCHKTMRWPZ-OVKUEFIVSA-N 0 0 430.759 5.733 50 0 IKAARN C[C@@H](OC(=O)C=Cc1cccc2cccnc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012925046 525883601 /nfs/dbraw/zinc/88/36/01/525883601.db2.gz MMWRKTMRZJGAER-OKACTXMXSA-N 0 0 430.504 5.047 50 0 IKAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC000012569331 525889313 /nfs/dbraw/zinc/88/93/13/525889313.db2.gz BUOCVPOHOPHCNL-FQEVSTJZSA-N 0 0 432.332 5.084 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCc2nc3c(C)cccc3c(=O)[nH]2)cc1 ZINC000012520107 525891521 /nfs/dbraw/zinc/89/15/21/525891521.db2.gz UURCPZQUGVRLFR-UHFFFAOYSA-N 0 0 438.556 5.685 50 0 IKAARN C[C@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccnc1Cl ZINC000015856718 525894135 /nfs/dbraw/zinc/89/41/35/525894135.db2.gz MDBIVYVJSJMZDZ-AWEZNQCLSA-N 0 0 445.302 5.151 50 0 IKAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SCC(=O)NC(C)C)c(C)c1 ZINC000002620943 525897056 /nfs/dbraw/zinc/89/70/56/525897056.db2.gz QVAOEEBBZJMMPV-UHFFFAOYSA-N 0 0 444.604 5.245 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000035839951 525898282 /nfs/dbraw/zinc/89/82/82/525898282.db2.gz WBWBAPKOEOTMDC-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(C(F)(F)F)cc3)nnc2-c2cccnc2)cc1 ZINC000035848123 525901648 /nfs/dbraw/zinc/90/16/48/525901648.db2.gz JZAOOKCHUOHXRW-UHFFFAOYSA-N 0 0 426.467 5.949 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)s3)nc3ccccc3c2=O)c(C)c1 ZINC000012638275 525902365 /nfs/dbraw/zinc/90/23/65/525902365.db2.gz QACILGWHOSAYCG-UHFFFAOYSA-N 0 0 440.977 5.692 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4ccccc4C)n(C)c(=O)c3sc2=S)cc1 ZINC000032952648 525903576 /nfs/dbraw/zinc/90/35/76/525903576.db2.gz MXGCOIJUTRNORI-UHFFFAOYSA-N 0 0 425.604 5.424 50 0 IKAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(O)cc2)cc1 ZINC000012462169 525904995 /nfs/dbraw/zinc/90/49/95/525904995.db2.gz UJNKMRYMTHUQTI-UHFFFAOYSA-N 0 0 434.948 6.182 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C(C)C)cc1C ZINC000036049411 525905406 /nfs/dbraw/zinc/90/54/06/525905406.db2.gz PPYHGCHKTWAIAG-UHFFFAOYSA-N 0 0 446.595 5.378 50 0 IKAARN COc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)c1OC ZINC000012821241 525909874 /nfs/dbraw/zinc/90/98/74/525909874.db2.gz QQAGRROAVOBIBK-UHFFFAOYSA-N 0 0 426.516 5.500 50 0 IKAARN Cc1cn2c(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3cccc(C)c3)csc2n1 ZINC000012316789 525911826 /nfs/dbraw/zinc/91/18/26/525911826.db2.gz VYVYHOLXMWQCRI-QHCPKHFHSA-N 0 0 426.545 5.282 50 0 IKAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)[C@H]2O ZINC000253497507 525914244 /nfs/dbraw/zinc/91/42/44/525914244.db2.gz NKLBOHZLKULONG-URYBJMOISA-N 0 0 443.469 7.236 50 0 biogenic IKAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012932516 525917207 /nfs/dbraw/zinc/91/72/07/525917207.db2.gz YLPUXFKYDDMTCF-CABCVRRESA-N 0 0 445.382 5.232 50 0 IKAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012932505 525919125 /nfs/dbraw/zinc/91/91/25/525919125.db2.gz YLPUXFKYDDMTCF-HUUCEWRRSA-N 0 0 445.382 5.232 50 0 IKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000012111580 525922793 /nfs/dbraw/zinc/92/27/93/525922793.db2.gz NLUAEVJTIMXVNM-WZONZLPQSA-N 0 0 429.988 5.613 50 0 IKAARN CSc1ccc(-c2nc(CSCC(=O)NCCc3ccc(C)cc3)c(C)o2)cc1 ZINC000020241230 525946997 /nfs/dbraw/zinc/94/69/97/525946997.db2.gz QGRKCCKAMXYPNM-UHFFFAOYSA-N 0 0 426.607 5.272 50 0 IKAARN CSc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2Br)cc1 ZINC000035622661 525947577 /nfs/dbraw/zinc/94/75/77/525947577.db2.gz WIIPVDCQWMGXSK-UHFFFAOYSA-N 0 0 425.355 5.933 50 0 IKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000002984860 525948160 /nfs/dbraw/zinc/94/81/60/525948160.db2.gz VPUZLNMNCRQKJC-QWHCGFSZSA-N 0 0 434.989 5.057 50 0 IKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000011914340 525950965 /nfs/dbraw/zinc/95/09/65/525950965.db2.gz NRDVRZYONZSTRI-UHFFFAOYSA-N 0 0 428.311 5.583 50 0 IKAARN Cc1ccc([C@H](CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002320279 525952416 /nfs/dbraw/zinc/95/24/16/525952416.db2.gz HSYGQCPUNBUBRR-SANMLTNESA-N 0 0 437.605 5.591 50 0 IKAARN Cc1ccc(/C=C/C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)o1 ZINC000033307420 525952848 /nfs/dbraw/zinc/95/28/48/525952848.db2.gz JMOURBMSTUCWCZ-VAWYXSNFSA-N 0 0 435.867 5.522 50 0 IKAARN C[C@H](Oc1ccccc1)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023323159 525952943 /nfs/dbraw/zinc/95/29/43/525952943.db2.gz YSUBPGDJDZCFON-NBGIEHNGSA-N 0 0 434.967 5.041 50 0 IKAARN Cc1c2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2oc(=O)c1-c1ccccc1 ZINC000011866224 525961325 /nfs/dbraw/zinc/96/13/25/525961325.db2.gz QAFKBBGTUUVRQA-UHFFFAOYSA-N 0 0 426.877 5.190 50 0 IKAARN Cc1c2cc(OCc3ccccc3)ccc2[nH]c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000001082570 525961479 /nfs/dbraw/zinc/96/14/79/525961479.db2.gz WHGIESPWGFHAOV-UHFFFAOYSA-N 0 0 425.532 5.018 50 0 IKAARN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012550044 525971666 /nfs/dbraw/zinc/97/16/66/525971666.db2.gz GDELKDSADKXXGL-OAHLLOKOSA-N 0 0 448.523 5.068 50 0 IKAARN Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc3ccccc32)cc1 ZINC000020617530 525972192 /nfs/dbraw/zinc/97/21/92/525972192.db2.gz XXYLVAKDPWCLSF-HYOGKJQXSA-N 0 0 449.510 5.575 50 0 IKAARN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000020624091 525981757 /nfs/dbraw/zinc/98/17/57/525981757.db2.gz GIAJDZFBAPFCBO-SFHVURJKSA-N 0 0 431.967 5.422 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035945761 525988208 /nfs/dbraw/zinc/98/82/08/525988208.db2.gz WXVNPSQCTMOQEJ-JOCHJYFZSA-N 0 0 439.987 5.221 50 0 IKAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1ccc(C)cc1Cl ZINC000020866778 525991375 /nfs/dbraw/zinc/99/13/75/525991375.db2.gz XORILWNRSAPCGZ-UHFFFAOYSA-N 0 0 448.954 5.185 50 0 IKAARN C[C@H](Sc1n[nH]c(-c2ccccc2Br)n1)c1nnc(-c2cccs2)o1 ZINC000012697611 525999838 /nfs/dbraw/zinc/99/98/38/525999838.db2.gz TZKPXENVNCTLOF-VIFPVBQESA-N 0 0 434.344 5.199 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1 ZINC000033010834 526000361 /nfs/dbraw/zinc/00/03/61/526000361.db2.gz MLSDBYKIIVWLQU-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012910755 526000565 /nfs/dbraw/zinc/00/05/65/526000565.db2.gz DTPVLPJUTHBNIE-LLVKDONJSA-N 0 0 446.926 5.719 50 0 IKAARN C[C@H](Sc1nnc(CC2CCCC2)[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012154870 526001359 /nfs/dbraw/zinc/00/13/59/526001359.db2.gz GWGRUJXYLRSUCC-JTQLQIEISA-N 0 0 432.899 5.329 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033025280 526001531 /nfs/dbraw/zinc/00/15/31/526001531.db2.gz YUJIYPJBQTZJDI-UHFFFAOYSA-N 0 0 440.572 5.848 50 0 IKAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000012779508 526002289 /nfs/dbraw/zinc/00/22/89/526002289.db2.gz ZIEWGCRESHUQJP-VGSWGCGISA-N 0 0 447.604 5.186 50 0 IKAARN C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)C(=O)c1c[nH]c2ccccc21 ZINC000012740474 526002831 /nfs/dbraw/zinc/00/28/31/526002831.db2.gz PHRBYSXHWZCWST-LBPRGKRZSA-N 0 0 449.923 5.019 50 0 IKAARN C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000012762211 526005469 /nfs/dbraw/zinc/00/54/69/526005469.db2.gz FCHQOTCGFGWSGY-ZDUSSCGKSA-N 0 0 435.496 5.766 50 0 IKAARN C[C@H](Sc1ncnc2ccccc21)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000021464976 526006773 /nfs/dbraw/zinc/00/67/73/526006773.db2.gz XABOQHPXFQVQDH-NSHDSACASA-N 0 0 428.489 5.151 50 0 IKAARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(F)cc1Cl ZINC000012569377 526007974 /nfs/dbraw/zinc/00/79/74/526007974.db2.gz GCPUHGZRUZJVGW-JTQLQIEISA-N 0 0 425.963 5.575 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000012812036 526008110 /nfs/dbraw/zinc/00/81/10/526008110.db2.gz MPYFHJIKELUTBF-INIZCTEOSA-N 0 0 433.558 6.007 50 0 IKAARN C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000012592362 526011382 /nfs/dbraw/zinc/01/13/82/526011382.db2.gz MCZAIEDUWMCLBD-HNNXBMFYSA-N 0 0 435.940 5.102 50 0 IKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012698808 526012156 /nfs/dbraw/zinc/01/21/56/526012156.db2.gz CBHAFBZYEQVUGY-MRXNPFEDSA-N 0 0 434.590 5.254 50 0 IKAARN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCOc4ccc(Cl)cc43)c2)on1 ZINC000020984783 526039076 /nfs/dbraw/zinc/03/90/76/526039076.db2.gz QUYJRCDFUCAVNA-UHFFFAOYSA-N 0 0 432.929 5.015 50 0 IKAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(NCc4ccccc4)c(C)c3)c2)on1 ZINC000020762476 526039678 /nfs/dbraw/zinc/03/96/78/526039678.db2.gz VGSRJNNKZLNBRA-UHFFFAOYSA-N 0 0 447.560 5.680 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000015724696 526046779 /nfs/dbraw/zinc/04/67/79/526046779.db2.gz XRERCJDNHMTVOU-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000015725286 526047775 /nfs/dbraw/zinc/04/77/75/526047775.db2.gz MRZOPCPPVURVHQ-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN Cc1cc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c(C)n1CCc1ccccc1 ZINC000012388816 526048471 /nfs/dbraw/zinc/04/84/71/526048471.db2.gz ALMLHNKQZULISF-UHFFFAOYSA-N 0 0 434.565 5.257 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000035848029 526049205 /nfs/dbraw/zinc/04/92/05/526049205.db2.gz DODJCNSSXUUIQE-UHFFFAOYSA-N 0 0 443.450 5.830 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000021892826 526049395 /nfs/dbraw/zinc/04/93/95/526049395.db2.gz GRKSDDIZWVSOKQ-SANMLTNESA-N 0 0 441.962 6.885 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000035912979 526049463 /nfs/dbraw/zinc/04/94/63/526049463.db2.gz ORWNKJQWDHKIPA-UHFFFAOYSA-N 0 0 425.579 5.371 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000001320468 526052028 /nfs/dbraw/zinc/05/20/28/526052028.db2.gz ZOKSBRJDFGOTCK-DEOSSOPVSA-N 0 0 440.326 5.309 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3C)C2=O)cc1 ZINC000001320473 526052487 /nfs/dbraw/zinc/05/24/87/526052487.db2.gz CKVCCWUCNBIFHF-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN COc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccco4)cs3)c(F)c2)c1 ZINC000034713416 526060921 /nfs/dbraw/zinc/06/09/21/526060921.db2.gz VOUPZZKJDVJKSL-UHFFFAOYSA-N 0 0 438.480 5.060 50 0 IKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C(=O)c2ccccc2)cc1 ZINC000012751976 526064743 /nfs/dbraw/zinc/06/47/43/526064743.db2.gz HRRJYLNVRVXNKB-XMMPIXPASA-N 0 0 426.541 5.247 50 0 IKAARN CSc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891159 526065322 /nfs/dbraw/zinc/06/53/22/526065322.db2.gz XDUHLVMNUKQJJQ-IBGZPJMESA-N 0 0 438.603 5.287 50 0 IKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021889314 526067059 /nfs/dbraw/zinc/06/70/59/526067059.db2.gz VDDLMKCENHXAED-RUZDIDTESA-N 0 0 425.557 6.336 50 0 IKAARN COc1cccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2C2CCCCC2)c1 ZINC000035847555 526067315 /nfs/dbraw/zinc/06/73/15/526067315.db2.gz MNKJOJWVQPEATE-UHFFFAOYSA-N 0 0 439.581 5.768 50 0 IKAARN C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000012442446 526068984 /nfs/dbraw/zinc/06/89/84/526068984.db2.gz MENBTDISMSLURN-LJQANCHMSA-N 0 0 441.531 5.214 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2cccnc2)s1 ZINC000012152464 526074567 /nfs/dbraw/zinc/07/45/67/526074567.db2.gz UNDHIIYVRRKTPR-UHFFFAOYSA-N 0 0 446.547 6.012 50 0 IKAARN Cc1ccc(C(=O)N(Cc2c(C(F)(F)F)nn(-c3ccccc3)c2N(C)C)C(C)C)cc1 ZINC000035973296 526074836 /nfs/dbraw/zinc/07/48/36/526074836.db2.gz DETQAQJJIUJHAT-UHFFFAOYSA-N 0 0 444.501 5.316 50 0 IKAARN CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cccc(C)c2C)cc1 ZINC000015413149 526075049 /nfs/dbraw/zinc/07/50/49/526075049.db2.gz IQWVQKGFSNOJDQ-VWLOTQADSA-N 0 0 430.573 5.455 50 0 IKAARN Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 ZINC000022415094 526075270 /nfs/dbraw/zinc/07/52/70/526075270.db2.gz OGSNJSLJGHHKCJ-MRXNPFEDSA-N 0 0 448.375 5.646 50 0 IKAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2ccc(Cl)cc2Cl)CC2CC2)cc1 ZINC000035979711 526076181 /nfs/dbraw/zinc/07/61/81/526076181.db2.gz HYHCUBRFFZQQJD-UHFFFAOYSA-N 0 0 428.363 5.599 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2sc(C)nc2C)cc1 ZINC000012075573 526077466 /nfs/dbraw/zinc/07/74/66/526077466.db2.gz GXXFJHJMAQHIQS-QFIPXVFZSA-N 0 0 433.602 5.751 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCc2cccs2)cc1 ZINC000012701201 526078150 /nfs/dbraw/zinc/07/81/50/526078150.db2.gz SYGCDPOPYMMADT-SANMLTNESA-N 0 0 446.641 6.448 50 0 IKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(Br)cc3)=NC23CCCC3)cc1 ZINC000020152247 526078665 /nfs/dbraw/zinc/07/86/65/526078665.db2.gz CUTOWANIEXXPCN-UHFFFAOYSA-N 0 0 427.367 5.300 50 0 IKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021536221 526079512 /nfs/dbraw/zinc/07/95/12/526079512.db2.gz VXPHCQYTNZTQQV-SANMLTNESA-N 0 0 439.584 6.645 50 0 IKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021536216 526079546 /nfs/dbraw/zinc/07/95/46/526079546.db2.gz UZVHKJANKOOQNG-SANMLTNESA-N 0 0 439.584 6.645 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000035944567 526087520 /nfs/dbraw/zinc/08/75/20/526087520.db2.gz ICDBYXJIJUOJRY-SFHVURJKSA-N 0 0 447.604 5.566 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000035944076 526087933 /nfs/dbraw/zinc/08/79/33/526087933.db2.gz NXXKADDNXJEAQR-IBGZPJMESA-N 0 0 447.579 5.734 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035946147 526088382 /nfs/dbraw/zinc/08/83/82/526088382.db2.gz ULGCNUCRSHDXGW-FQEVSTJZSA-N 0 0 449.639 6.017 50 0 IKAARN Cc1ccc(C(=O)N2CCC(n3c(COc4ccc(C)cc4)nc4ccccc43)CC2)s1 ZINC000012240836 526089146 /nfs/dbraw/zinc/08/91/46/526089146.db2.gz XHHGFYHCMDWHKJ-UHFFFAOYSA-N 0 0 445.588 5.771 50 0 IKAARN C[C@@H](c1ccccc1)N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021527632 526090372 /nfs/dbraw/zinc/09/03/72/526090372.db2.gz WEXPOTZUCZEQQP-WTYVLRPYSA-N 0 0 443.591 5.456 50 0 IKAARN C[C@H](c1ccccc1)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000035944568 526094201 /nfs/dbraw/zinc/09/42/01/526094201.db2.gz ICDBYXJIJUOJRY-GOSISDBHSA-N 0 0 447.604 5.566 50 0 IKAARN C[C@@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)COc3ccccc3)cc2)C1=O ZINC000034734205 526094687 /nfs/dbraw/zinc/09/46/87/526094687.db2.gz KPPDOUMEXIBWGK-FQEVSTJZSA-N 0 0 429.520 5.097 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000020902839 526096422 /nfs/dbraw/zinc/09/64/22/526096422.db2.gz BOFKLBCZMBJPMW-XHCCPWGMSA-N 0 0 429.564 5.066 50 0 IKAARN C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000012629783 526097002 /nfs/dbraw/zinc/09/70/02/526097002.db2.gz IHYHASZHSBSUCG-ACSYHNTCSA-N 0 0 432.567 7.350 50 0 IKAARN CSc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902819 526107650 /nfs/dbraw/zinc/10/76/50/526107650.db2.gz MQQIFLVBCDATMD-SANMLTNESA-N 0 0 447.604 5.231 50 0 IKAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cccc(Cl)c4)c3c2=O)c1 ZINC000035400435 526109801 /nfs/dbraw/zinc/10/98/01/526109801.db2.gz CKQMHRAPBUCNOM-UHFFFAOYSA-N 0 0 447.897 5.249 50 0 IKAARN Cc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000023331352 526113458 /nfs/dbraw/zinc/11/34/58/526113458.db2.gz IFYNSEZURCPDTQ-DEOSSOPVSA-N 0 0 449.392 5.305 50 0 IKAARN CSc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(C)cc2)c1 ZINC000033068720 526114838 /nfs/dbraw/zinc/11/48/38/526114838.db2.gz FUVNOCIMBBNIIR-UHFFFAOYSA-N 0 0 445.613 5.982 50 0 IKAARN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020737191 526115067 /nfs/dbraw/zinc/11/50/67/526115067.db2.gz BBSLLIRKNWLBQQ-MHZLTWQESA-N 0 0 439.559 5.009 50 0 IKAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3ccc(F)cc3)c2n1 ZINC000021654978 526115427 /nfs/dbraw/zinc/11/54/27/526115427.db2.gz IBBVSHKYMRBGDC-UHFFFAOYSA-N 0 0 446.869 5.263 50 0 IKAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)CC2)cc1 ZINC000001129243 526115381 /nfs/dbraw/zinc/11/53/81/526115381.db2.gz RXWOLFGYBDXFEF-UHFFFAOYSA-N 0 0 447.966 5.172 50 0 IKAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3ccccc3)c2n1 ZINC000021654971 526115525 /nfs/dbraw/zinc/11/55/25/526115525.db2.gz DFCOQINYTJFZSV-UHFFFAOYSA-N 0 0 428.879 5.124 50 0 IKAARN CSc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000021536742 526122350 /nfs/dbraw/zinc/12/23/50/526122350.db2.gz UFGSECPKMJQAON-SANMLTNESA-N 0 0 439.584 6.645 50 0 IKAARN Cc1ccc2c(Cl)cc(Cl)c(OCCOc3cccc(Br)c3)c2n1 ZINC000012528874 526131429 /nfs/dbraw/zinc/13/14/29/526131429.db2.gz TWLNKFUVMPRROL-UHFFFAOYSA-N 0 0 427.125 6.070 50 0 IKAARN Cc1ccc2c(CSc3nc(C)nc4scc(-c5cccs5)c43)cc(=O)oc2c1 ZINC000012635208 526131897 /nfs/dbraw/zinc/13/18/97/526131897.db2.gz IVFGVYRDDNWVNM-UHFFFAOYSA-N 0 0 436.583 6.435 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1C ZINC000002979438 526144053 /nfs/dbraw/zinc/14/40/53/526144053.db2.gz DQXPWNJTNTZYAE-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN Cc1cc(=O)oc2cc(OCc3nc(-c4cccc(Br)c4)no3)c(Cl)cc12 ZINC000012864915 526149950 /nfs/dbraw/zinc/14/99/50/526149950.db2.gz OBFOALZELDXRMA-UHFFFAOYSA-N 0 0 447.672 5.146 50 0 IKAARN Cc1cc(Br)cc(C)c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016157643 526154411 /nfs/dbraw/zinc/15/44/11/526154411.db2.gz RPXHRGQQBWIMJR-CSKARUKUSA-N 0 0 430.729 6.631 50 0 IKAARN Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000012549959 526160549 /nfs/dbraw/zinc/16/05/49/526160549.db2.gz RDVHEMHNWTWATQ-UHFFFAOYSA-N 0 0 438.527 5.792 50 0 IKAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022772576 526163415 /nfs/dbraw/zinc/16/34/15/526163415.db2.gz KFAVMPTWYGEZDS-UQNNOOFXSA-N 0 0 425.576 5.012 50 0 IKAARN CSc1ccccc1NC(=O)COc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000022478429 526167281 /nfs/dbraw/zinc/16/72/81/526167281.db2.gz MKLKFNYIEDMXRL-UHFFFAOYSA-N 0 0 433.485 5.325 50 0 IKAARN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O ZINC000035404803 526172759 /nfs/dbraw/zinc/17/27/59/526172759.db2.gz LTZJRFUZALMWKK-YSWHLYNJSA-N 0 0 429.339 5.420 50 0 IKAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012621962 526174902 /nfs/dbraw/zinc/17/49/02/526174902.db2.gz OFTRUDQERDJDFR-UHFFFAOYSA-N 0 0 437.399 5.178 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3cccc(F)c3)[C@@H](C)C1)=N2 ZINC000034812777 526177316 /nfs/dbraw/zinc/17/73/16/526177316.db2.gz JKGIXOPYYYVPAQ-SFHVURJKSA-N 0 0 429.495 5.165 50 0 IKAARN COc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 ZINC000020894948 526180163 /nfs/dbraw/zinc/18/01/63/526180163.db2.gz LCTWQPNZBVRSGH-UHFFFAOYSA-N 0 0 449.557 5.288 50 0 IKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2Cl)c1 ZINC000021893794 526190216 /nfs/dbraw/zinc/19/02/16/526190216.db2.gz DIVHXCSVALVILN-RUZDIDTESA-N 0 0 443.934 6.276 50 0 IKAARN COc1cccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000033008328 526193053 /nfs/dbraw/zinc/19/30/53/526193053.db2.gz BSVRNEMLXIJMCP-UHFFFAOYSA-N 0 0 432.505 5.510 50 0 IKAARN COc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1 ZINC000021795501 526193213 /nfs/dbraw/zinc/19/32/13/526193213.db2.gz OZPMREASODXULI-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN COc1cccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020274457 526194168 /nfs/dbraw/zinc/19/41/68/526194168.db2.gz DSJOVMDVTCJZDS-HXUWFJFHSA-N 0 0 434.883 5.310 50 0 IKAARN COc1cccc(NC(=O)[C@@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc2)c1 ZINC000012621955 526197216 /nfs/dbraw/zinc/19/72/16/526197216.db2.gz ULZKVGNLNJEOJW-DEOSSOPVSA-N 0 0 447.506 5.569 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1CC(F)(F)F ZINC000016050388 526211471 /nfs/dbraw/zinc/21/14/71/526211471.db2.gz ZIWDTSWJMDFIDA-UHFFFAOYSA-N 0 0 432.442 5.067 50 0 IKAARN Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002652980 526213313 /nfs/dbraw/zinc/21/33/13/526213313.db2.gz UJMMKJWHFGOTFK-UHFFFAOYSA-N 0 0 449.551 5.006 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1Cc1cccs1 ZINC000012680927 526213820 /nfs/dbraw/zinc/21/38/20/526213820.db2.gz GUVMOMDQPYKVRF-UHFFFAOYSA-N 0 0 449.605 5.178 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1Cc1ccco1 ZINC000012550047 526215264 /nfs/dbraw/zinc/21/52/64/526215264.db2.gz CQTGBAHRZAMHDA-UHFFFAOYSA-N 0 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526218035 /nfs/dbraw/zinc/21/80/35/526218035.db2.gz HBSUALJOZFNRMN-UHFFFAOYSA-N 0 0 431.898 5.549 50 0 IKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1cccc(Cl)c1 ZINC000035400850 526218080 /nfs/dbraw/zinc/21/80/80/526218080.db2.gz AIFHNJPCMMJCLV-UHFFFAOYSA-N 0 0 448.353 6.063 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(=O)N4CCC(C)CC4)cc3)nc2)cc1F ZINC000033281389 526222482 /nfs/dbraw/zinc/22/24/82/526222482.db2.gz NHQXVCBETFWHNQ-UHFFFAOYSA-N 0 0 447.510 5.446 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc4c(c3)CCC4)cc2)cc1 ZINC000035925181 526223051 /nfs/dbraw/zinc/22/30/51/526223051.db2.gz ZZUOYAILTZHBOG-AREMUKBSSA-N 0 0 428.557 5.515 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4C)sc3c2)cc1 ZINC000020894870 526224062 /nfs/dbraw/zinc/22/40/62/526224062.db2.gz SXTZASMIAYKGJV-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-n3nc(OCC(C)C)nc3-c3ccc(F)cc3)c2)cc1 ZINC000037385309 526224090 /nfs/dbraw/zinc/22/40/90/526224090.db2.gz DKHQQEZTSIRDNY-UHFFFAOYSA-N 0 0 444.510 5.669 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035928153 526224989 /nfs/dbraw/zinc/22/49/89/526224989.db2.gz HKHDMJZIXPIVDY-SANMLTNESA-N 0 0 444.600 6.323 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)c(C)c1 ZINC000033307402 526225063 /nfs/dbraw/zinc/22/50/63/526225063.db2.gz WIBZTUVIDMIBIE-UHFFFAOYSA-N 0 0 433.895 5.838 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000012379461 526229585 /nfs/dbraw/zinc/22/95/85/526229585.db2.gz GYUBNDGCSIQWPA-SFHVURJKSA-N 0 0 433.320 5.011 50 0 IKAARN C[C@H]1CCCC(=O)CCCC=Cc2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 ZINC000011865794 526238073 /nfs/dbraw/zinc/23/80/73/526238073.db2.gz ALQNIJCGTCZRDM-VQANOXKBSA-N 0 0 436.504 5.136 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)CCc2nc3ccccc3s2)c2ccc(C)cc2)cc1 ZINC000012565580 526240057 /nfs/dbraw/zinc/24/00/57/526240057.db2.gz UPJXVMLJSCVNFZ-SANMLTNESA-N 0 0 429.541 6.013 50 0 IKAARN COc1cccc(Oc2c(CN(CC3CC3)C(=O)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000035972915 526241366 /nfs/dbraw/zinc/24/13/66/526241366.db2.gz SABYCRDZJCRFJH-UHFFFAOYSA-N 0 0 431.536 5.130 50 0 IKAARN Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)oc2c1 ZINC000013946108 526242276 /nfs/dbraw/zinc/24/22/76/526242276.db2.gz YGMYDMKQXBGDPF-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4nn(-c5ccccc5)ccc4=O)cc3)sc2c1 ZINC000012111550 526242533 /nfs/dbraw/zinc/24/25/33/526242533.db2.gz QMJHQWTXJMWQJJ-UHFFFAOYSA-N 0 0 438.512 5.070 50 0 IKAARN COc1cccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)c1 ZINC000015209910 526242616 /nfs/dbraw/zinc/24/26/16/526242616.db2.gz YCGNVNUEFGZJNV-UHFFFAOYSA-N 0 0 439.562 5.053 50 0 IKAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)n2c1 ZINC000021156940 526250019 /nfs/dbraw/zinc/25/00/19/526250019.db2.gz ILMWMXBYDYJIJW-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc2nc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n2c1 ZINC000033068132 526250318 /nfs/dbraw/zinc/25/03/18/526250318.db2.gz BOTRWPFXWRKRRS-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN Cc1ccc2nc(NC(=O)CCCCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1 ZINC000017102690 526253284 /nfs/dbraw/zinc/25/32/84/526253284.db2.gz CXMRWGJWHWPECU-UHFFFAOYSA-N 0 0 438.578 5.660 50 0 IKAARN Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)N3CCN(Cc4ccccc4)CC3)c2C)c1 ZINC000020357317 526256019 /nfs/dbraw/zinc/25/60/19/526256019.db2.gz BNDMYOLSAFJZGO-UHFFFAOYSA-N 0 0 449.598 5.785 50 0 IKAARN Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)n2)c1 ZINC000012621342 526256046 /nfs/dbraw/zinc/25/60/46/526256046.db2.gz YATCEIFXXWWWSI-UHFFFAOYSA-N 0 0 433.558 5.993 50 0 IKAARN Cc1ccc(C)c(-n2c3nc(-c4ccc(C)c(C)c4)cc(C(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020615365 526256967 /nfs/dbraw/zinc/25/69/67/526256967.db2.gz WUNLAYPOBXWOGP-UHFFFAOYSA-N 0 0 437.515 6.282 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734955 526258168 /nfs/dbraw/zinc/25/81/68/526258168.db2.gz LFPNHTDLKWMCPT-GBHVMDLXSA-N 0 0 426.969 5.734 50 0 IKAARN Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NCc4ccc(F)cc4)c3c2c1 ZINC000020996564 526258739 /nfs/dbraw/zinc/25/87/39/526258739.db2.gz XRZHINXQWYEFAZ-UHFFFAOYSA-N 0 0 442.469 5.155 50 0 IKAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C(F)(F)F)c2)no1 ZINC000012431501 526261073 /nfs/dbraw/zinc/26/10/73/526261073.db2.gz LMKCTVMFZRQASY-NRFANRHFSA-N 0 0 425.410 5.271 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021162537 526261691 /nfs/dbraw/zinc/26/16/91/526261691.db2.gz JOFZLRQFZVDRKO-WMZHIEFXSA-N 0 0 448.586 5.135 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725034 526261961 /nfs/dbraw/zinc/26/19/61/526261961.db2.gz SIZARVKKIMZYHG-HNAYVOBHSA-N 0 0 444.522 6.713 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000012754406 526268866 /nfs/dbraw/zinc/26/88/66/526268866.db2.gz HOVXFPKSTVBRMV-HXUWFJFHSA-N 0 0 446.595 5.170 50 0 IKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000020744679 526271841 /nfs/dbraw/zinc/27/18/41/526271841.db2.gz ZQLASVJNVXEXEX-UHFFFAOYSA-N 0 0 440.927 5.540 50 0 IKAARN O=C(NCCCc1ccccc1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988131 526279396 /nfs/dbraw/zinc/27/93/96/526279396.db2.gz NDIROGDTOASSPR-UHFFFAOYSA-N 0 0 427.548 5.424 50 0 IKAARN O[C@H](COCc1ccccc1)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000012784909 526286164 /nfs/dbraw/zinc/28/61/64/526286164.db2.gz KXTUSTPAKGHQNP-GOSISDBHSA-N 0 0 426.538 5.167 50 0 IKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)Nc3ccnn3C(C)C)cc12 ZINC000012811997 526287051 /nfs/dbraw/zinc/28/70/51/526287051.db2.gz QCJRWNBXCQJDIT-UHFFFAOYSA-N 0 0 448.379 5.791 50 0 IKAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCCCO4)cc12 ZINC000012568505 526289108 /nfs/dbraw/zinc/28/91/08/526289108.db2.gz XCVAFYXYBLULGT-UHFFFAOYSA-N 0 0 433.533 5.177 50 0 IKAARN Cc1coc2c1cc1c(C)c(CCC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc1c2C ZINC000012896062 526292222 /nfs/dbraw/zinc/29/22/22/526292222.db2.gz BICYEIUJFYCVSG-UHFFFAOYSA-N 0 0 443.455 5.142 50 0 biogenic IKAARN O=C(C1CCC1)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849086 526294225 /nfs/dbraw/zinc/29/42/25/526294225.db2.gz DQSGIBONPVRCNA-UHFFFAOYSA-N 0 0 438.641 5.067 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000012509543 526296015 /nfs/dbraw/zinc/29/60/15/526296015.db2.gz IEFBSTCCHMQPOC-UHFFFAOYSA-N 0 0 436.987 5.074 50 0 IKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000012793340 526297517 /nfs/dbraw/zinc/29/75/17/526297517.db2.gz WUCJYBHXKUEPOK-UHFFFAOYSA-N 0 0 449.904 5.422 50 0 IKAARN O[C@H]([C@H](c1nc2ccccc2n1Cc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl ZINC000012376626 526299118 /nfs/dbraw/zinc/29/91/18/526299118.db2.gz OVYMARCHHCDVLL-NHCUHLMSSA-N 0 0 445.777 5.948 50 0 IKAARN O=C(C1CCCCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908358 526299728 /nfs/dbraw/zinc/29/97/28/526299728.db2.gz OKGFCRXGYUJFMZ-NRFANRHFSA-N 0 0 442.481 6.757 50 0 IKAARN Cc1nn([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2c3ccccc3sc21 ZINC000020466943 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Fc1ccc([C@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c(Cl)c1 ZINC000020237084 526367418 /nfs/dbraw/zinc/36/74/18/526367418.db2.gz IFEDCXHTTMBSCS-XMMPIXPASA-N 0 0 447.356 6.678 50 0 IKAARN Cc1csc(N(C(=O)CSc2nnc(C)n2-c2ccc(C)cc2)c2ccccc2)n1 ZINC000012553155 526370386 /nfs/dbraw/zinc/37/03/86/526370386.db2.gz SSYIXQZSWDWFGW-UHFFFAOYSA-N 0 0 435.578 5.106 50 0 IKAARN Cc1nnc(SCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)n1C1CC1 ZINC000012785835 526380992 /nfs/dbraw/zinc/38/09/92/526380992.db2.gz CLRQKBPROURXNS-UHFFFAOYSA-N 0 0 428.355 5.326 50 0 IKAARN S=C(CCCN1CCOCC1)Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012643870 526382889 /nfs/dbraw/zinc/38/28/89/526382889.db2.gz XFQGOTLJTVHORQ-UHFFFAOYSA-N 0 0 441.000 5.044 50 0 IKAARN S=C(NCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1)NC1CCCCC1 ZINC000012558709 526383523 /nfs/dbraw/zinc/38/35/23/526383523.db2.gz HTWVGZNXGCTGDE-SOYKGTTHSA-N 0 0 436.650 5.246 50 0 IKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000012524165 526385432 /nfs/dbraw/zinc/38/54/32/526385432.db2.gz 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O=C(CCC1CCCC1)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000034928304 526400018 /nfs/dbraw/zinc/40/00/18/526400018.db2.gz TWEZMDSJAZWAHB-UHFFFAOYSA-N 0 0 440.531 5.074 50 0 IKAARN c1c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000012559524 526401535 /nfs/dbraw/zinc/40/15/35/526401535.db2.gz FDGPVDPLYAHUOR-LJAQVGFWSA-N 0 0 439.522 6.528 50 0 IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057895 526403598 /nfs/dbraw/zinc/40/35/98/526403598.db2.gz IDFLCJNINPLXTD-UHFFFAOYSA-N 0 0 429.907 5.562 50 0 biogenic IKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035527237 526403664 /nfs/dbraw/zinc/40/36/64/526403664.db2.gz ZOMRNWXLTLTYIG-UHFFFAOYSA-N 0 0 447.897 5.701 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000035847795 526406700 /nfs/dbraw/zinc/40/67/00/526406700.db2.gz ADBRCQYNJCFWFU-UHFFFAOYSA-N 0 0 429.442 6.385 50 0 IKAARN O=C(O/C(=C/c1nccn1CCOc1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000022033227 526413210 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ZINC000012568264 526653106 /nfs/dbraw/zinc/65/31/06/526653106.db2.gz AKKGOOLUKKDYEA-UHFFFAOYSA-N 0 0 437.952 5.168 50 0 IKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Oc1ccc(OCc2ccccc2)cc1 ZINC000012853117 526657825 /nfs/dbraw/zinc/65/78/25/526657825.db2.gz OQZJVKDCGHZSCM-UHFFFAOYSA-N 0 0 435.426 5.737 50 0 IKAARN O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1cccc(Br)c1 ZINC000012227024 526661366 /nfs/dbraw/zinc/66/13/66/526661366.db2.gz RKELAZBEXGFZSY-UHFFFAOYSA-N 0 0 440.219 5.089 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988124 526661337 /nfs/dbraw/zinc/66/13/37/526661337.db2.gz JWZPZFZNASNHLO-UHFFFAOYSA-N 0 0 433.939 5.645 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035527239 526661392 /nfs/dbraw/zinc/66/13/92/526661392.db2.gz PUHQYDLKCOQRCS-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN Cc1noc([C@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2CC(C)C)n1 ZINC000012741489 526666784 /nfs/dbraw/zinc/66/67/84/526666784.db2.gz QUMQRYSWNKAYDE-NSHDSACASA-N 0 0 432.596 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/nfs/dbraw/zinc/68/13/86/526681386.db2.gz SYILWYVLQWLZLS-UHFFFAOYSA-N 0 0 448.941 5.288 50 0 IKAARN O=C(CCn1cnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21)N1CCCCCC1 ZINC000035460605 526682341 /nfs/dbraw/zinc/68/23/41/526682341.db2.gz RUSLWMWSBNGUFP-UHFFFAOYSA-N 0 0 449.942 5.199 50 0 IKAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024472001 526685042 /nfs/dbraw/zinc/68/50/42/526685042.db2.gz BJJTXCBTSLTWJJ-UHFFFAOYSA-N 0 0 436.437 5.091 50 0 IKAARN Cc1nc(C)c(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C3CC3)no2)s1 ZINC000035511157 526686262 /nfs/dbraw/zinc/68/62/62/526686262.db2.gz LKESNYAJGSMITR-UHFFFAOYSA-N 0 0 446.557 5.751 50 0 IKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(Br)cc1Cl ZINC000012759747 526701963 /nfs/dbraw/zinc/70/19/63/526701963.db2.gz UBCITIGLCCFVLO-UHFFFAOYSA-N 0 0 439.762 5.398 50 0 IKAARN O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1)N1CC=C(c2ccccc2)CC1 ZINC000035460813 526712148 /nfs/dbraw/zinc/71/21/48/526712148.db2.gz QMURVUMEDOCHPL-UHFFFAOYSA-N 0 0 443.977 5.164 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1CSc1ccccc1 ZINC000015682232 526728288 /nfs/dbraw/zinc/72/82/88/526728288.db2.gz YTTXSSSZQHHCLP-UHFFFAOYSA-N 0 0 428.557 5.915 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCC3)cc2)nc1C[S@@](=O)c1ccc(C)cc1 ZINC000020934874 526729157 /nfs/dbraw/zinc/72/91/57/526729157.db2.gz WQQMHNVQWASRMH-HKBQPEDESA-N 0 0 436.577 5.329 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)nc1COc1ccccc1 ZINC000020560117 526729524 /nfs/dbraw/zinc/72/95/24/526729524.db2.gz GQCFKVBZDKTBED-HXUWFJFHSA-N 0 0 440.543 5.980 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)nc1CN1CCc2ccccc21 ZINC000015785967 526729597 /nfs/dbraw/zinc/72/95/97/526729597.db2.gz ZLCOHHIMFKRPRN-UHFFFAOYSA-N 0 0 441.506 5.282 50 0 IKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)nc1COc1ccc(C)cc1 ZINC000015682112 526729856 /nfs/dbraw/zinc/72/98/56/526729856.db2.gz JEXKMMIVHIMODB-UHFFFAOYSA-N 0 0 426.516 6.407 50 0 IKAARN O=C(NCc1ccccc1)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000033154743 526730239 /nfs/dbraw/zinc/73/02/39/526730239.db2.gz CEIHDIRGSRKJAO-NHFJDJAPSA-N 0 0 448.522 5.566 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC[C@H](OCc2cccnc2)C1 ZINC000012302777 526730403 /nfs/dbraw/zinc/73/04/03/526730403.db2.gz GSLLZVKYBLKOJS-FQEVSTJZSA-N 0 0 431.458 5.245 50 0 IKAARN O=C(NCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892385 526733019 /nfs/dbraw/zinc/73/30/19/526733019.db2.gz ZECISKJZSREGCD-RUZDIDTESA-N 0 0 429.470 5.570 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O ZINC000016840033 526733431 /nfs/dbraw/zinc/73/34/31/526733431.db2.gz YSPFVRHPZWNZBE-UHFFFAOYSA-N 0 0 444.922 5.445 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000021658060 526734825 /nfs/dbraw/zinc/73/48/25/526734825.db2.gz YFBMJUKNEIBAJN-UHFFFAOYSA-N 0 0 449.967 6.310 50 0 IKAARN O=C(NCc1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508748 526737569 /nfs/dbraw/zinc/73/75/69/526737569.db2.gz GEYVUDKVMSZELV-BJKOFHAPSA-N 0 0 430.573 5.288 50 0 IKAARN O=C(NCc1ccccc1)c1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2)o1 ZINC000021043737 526737851 /nfs/dbraw/zinc/73/78/51/526737851.db2.gz VEZUDNAUANPRQS-UHFFFAOYSA-N 0 0 439.515 5.444 50 0 IKAARN O=C(NCc1ccccc1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035040 526739220 /nfs/dbraw/zinc/73/92/20/526739220.db2.gz BUILMBTXWLRGFR-JOCHJYFZSA-N 0 0 447.966 5.682 50 0 IKAARN O=C(NCc1ccccc1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2F)n1 ZINC000034713204 526740223 /nfs/dbraw/zinc/74/02/23/526740223.db2.gz FCPAZLMDCIRBON-UHFFFAOYSA-N 0 0 436.483 5.597 50 0 IKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N[C@H]1CCCc2ccccc21 ZINC000020856247 526743218 /nfs/dbraw/zinc/74/32/18/526743218.db2.gz QXIUMUGPMDILMN-FQEVSTJZSA-N 0 0 426.969 5.730 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000035514196 526748272 /nfs/dbraw/zinc/74/82/72/526748272.db2.gz HLHSLADDSPENCF-UHFFFAOYSA-N 0 0 428.923 5.339 50 0 IKAARN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCC2(C1)CCCCCC2 ZINC000078934393 526757973 /nfs/dbraw/zinc/75/79/73/526757973.db2.gz WVLWLRDYKXAUOU-UHFFFAOYSA-N 0 0 425.594 5.237 50 0 IKAARN O=C(c1cccc(Cl)c1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023456929 526758450 /nfs/dbraw/zinc/75/84/50/526758450.db2.gz RSPGTYMFMZRWFP-UHFFFAOYSA-N 0 0 433.914 5.973 50 0 IKAARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(SCc2cccc(Cl)c2F)cc1 ZINC000012340465 526762456 /nfs/dbraw/zinc/76/24/56/526762456.db2.gz OOKBMAMPLJDWGV-UHFFFAOYSA-N 0 0 431.960 7.223 50 0 IKAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000022804716 526767646 /nfs/dbraw/zinc/76/76/46/526767646.db2.gz DYVMCWTVIAIMIR-FMIVXFBMSA-N 0 0 443.616 5.107 50 0 IKAARN Cc1oc2c(cc3c(C)c(CC(=O)Nc4ccc5oc(=O)ccc5c4)c(=O)oc3c2C)c1C ZINC000012896272 526779856 /nfs/dbraw/zinc/77/98/56/526779856.db2.gz XSGKUPIEFCYGQS-UHFFFAOYSA-N 0 0 443.455 5.060 50 0 biogenic IKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1 ZINC000034713314 526780097 /nfs/dbraw/zinc/78/00/97/526780097.db2.gz NSJSEUTZMDNIRU-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)o1 ZINC000021171682 526796706 /nfs/dbraw/zinc/79/67/06/526796706.db2.gz LINDDPAMKZXBDQ-IBGZPJMESA-N 0 0 448.504 5.009 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C ZINC000012787462 526797348 /nfs/dbraw/zinc/79/73/48/526797348.db2.gz KRAYUBNENAPJOD-UHFFFAOYSA-N 0 0 434.546 5.305 50 0 IKAARN O=C(c1ccccc1Cc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021532969 526802109 /nfs/dbraw/zinc/80/21/09/526802109.db2.gz QKRURBOVTBZDFV-UHFFFAOYSA-N 0 0 439.481 5.044 50 0 IKAARN O=C(c1ccccc1F)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000035979714 526803703 /nfs/dbraw/zinc/80/37/03/526803703.db2.gz XYCUGGWESYVVPB-UHFFFAOYSA-N 0 0 432.326 5.430 50 0 IKAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001140420 526811345 /nfs/dbraw/zinc/81/13/45/526811345.db2.gz SVWKQYYVIMBFRH-UHFFFAOYSA-N 0 0 426.438 5.460 50 0 IKAARN Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 ZINC000012372518 526813546 /nfs/dbraw/zinc/81/35/46/526813546.db2.gz XCTBLSMXYNYKOE-UHFFFAOYSA-N 0 0 429.442 5.186 50 0 IKAARN N=C(N=C1N=C2c3cc(Br)ccc3N=C2N1)N(c1ccccc1)c1ccccc1 ZINC000012407424 526827594 /nfs/dbraw/zinc/82/75/94/526827594.db2.gz VETCPIDMZDIVSS-UHFFFAOYSA-N 0 0 443.308 5.014 50 0 IKAARN O=C(c1ccco1)n1nc(-c2ccco2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000015669747 526832492 /nfs/dbraw/zinc/83/24/92/526832492.db2.gz MRZXWVSIBFSZKE-UHFFFAOYSA-N 0 0 440.459 5.011 50 0 IKAARN O=C(c1cccs1)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000035979663 526835179 /nfs/dbraw/zinc/83/51/79/526835179.db2.gz GTYROCUODKJBMQ-UHFFFAOYSA-N 0 0 448.419 6.275 50 0 IKAARN O=C(c1cccs1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000035944446 526835427 /nfs/dbraw/zinc/83/54/27/526835427.db2.gz ZYBMMLQOQFPPIR-QGZVFWFLSA-N 0 0 428.916 5.376 50 0 IKAARN Cc1nc(CN(C)C(=O)c2sc3ncnc(NCCC4=CCCCC4)c3c2C)cs1 ZINC000015071652 526838815 /nfs/dbraw/zinc/83/88/15/526838815.db2.gz LZBCTSBODJKIBK-UHFFFAOYSA-N 0 0 441.626 5.339 50 0 IKAARN N=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1Cl ZINC000012375534 526839560 /nfs/dbraw/zinc/83/95/60/526839560.db2.gz RFZLUIWNVFUUPS-PEODKBGFSA-N 0 0 438.911 6.114 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000012798338 526843394 /nfs/dbraw/zinc/84/33/94/526843394.db2.gz RTZPKPWEFXFISW-UHFFFAOYSA-N 0 0 448.951 5.383 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccc(C)cc2)[C@@H](C)C1 ZINC000001113956 526844105 /nfs/dbraw/zinc/84/41/05/526844105.db2.gz FBHSGVSCDBBWIV-HNNXBMFYSA-N 0 0 427.907 5.102 50 0 IKAARN Cc1sc(-c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)nc1-c1ccc(C)cc1 ZINC000021365736 526861243 /nfs/dbraw/zinc/86/12/43/526861243.db2.gz BVLNVUBQVHSJGJ-IBGZPJMESA-N 0 0 426.541 5.695 50 0 IKAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000033290120 526864234 /nfs/dbraw/zinc/86/42/34/526864234.db2.gz NULIFEAKETXOND-UHFFFAOYSA-N 0 0 427.016 5.435 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1OCc1ccccc1 ZINC000012643680 526864878 /nfs/dbraw/zinc/86/48/78/526864878.db2.gz WFRRQRGDWFQLNJ-SANMLTNESA-N 0 0 447.538 5.856 50 0 IKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)Cc1ccccc1Br ZINC000035554999 526865042 /nfs/dbraw/zinc/86/50/42/526865042.db2.gz CESPCHRXXQBRLQ-UHFFFAOYSA-N 0 0 432.343 5.318 50 0 IKAARN Cc1sc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)nc1-c1ccccc1 ZINC000017096480 526865241 /nfs/dbraw/zinc/86/52/41/526865241.db2.gz DTIQOOMKLKDHLN-UHFFFAOYSA-N 0 0 429.495 6.916 50 0 IKAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012891377 526866216 /nfs/dbraw/zinc/86/62/16/526866216.db2.gz MEAOYFXKSHYNDC-HYBUGGRVSA-N 0 0 444.556 5.252 50 0 IKAARN Cc1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(N)=O)c1-c1ccc(F)cc1 ZINC000017095030 526879386 /nfs/dbraw/zinc/87/93/86/526879386.db2.gz SXWTYDKOWVNTHY-UHFFFAOYSA-N 0 0 426.557 5.507 50 0 IKAARN Cc1sc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012787564 526882712 /nfs/dbraw/zinc/88/27/12/526882712.db2.gz UAZPDMCDKGGDJL-GOSISDBHSA-N 0 0 425.941 5.015 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)ccn2)c2ccsc2)c1C ZINC000035476911 526884230 /nfs/dbraw/zinc/88/42/30/526884230.db2.gz QVEPJZDIFLGFBV-JOCHJYFZSA-N 0 0 433.602 6.584 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)n2)c2ccsc2)c1C ZINC000035476912 526884805 /nfs/dbraw/zinc/88/48/05/526884805.db2.gz IZZXLVUMCPCRFO-QFIPXVFZSA-N 0 0 433.602 6.584 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2ccccn2)c1C ZINC000035476890 526884933 /nfs/dbraw/zinc/88/49/33/526884933.db2.gz JEHBCERALSVMKF-QHCPKHFHSA-N 0 0 428.561 5.917 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2nc(C)cc(C)n2)c2cccnc2)c1C ZINC000035476990 526885069 /nfs/dbraw/zinc/88/50/69/526885069.db2.gz JGRJGHNNDDDZGN-QFIPXVFZSA-N 0 0 443.576 5.621 50 0 IKAARN Cc1sc2nc(CN3CCCCC3)nc(N[C@@H](c3nccn3C)c3ccccc3)c2c1C ZINC000012628227 526890587 /nfs/dbraw/zinc/89/05/87/526890587.db2.gz CDDVTHZYIOSZOS-JOCHJYFZSA-N 0 0 446.624 5.229 50 0 IKAARN Cc1sc2[nH]c(CNc3ccc(N4CCCC4=O)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012537048 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O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000012469404 527090236 /nfs/dbraw/zinc/09/02/36/527090236.db2.gz GEUNPHAGYYQPKI-WQRHYEAKSA-N 0 0 440.724 6.174 50 0 IKAARN O=C(C[C@@H](C(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000012547142 527096029 /nfs/dbraw/zinc/09/60/29/527096029.db2.gz YTIVAFWBAOBASC-SFHVURJKSA-N 0 0 433.305 5.565 50 0 IKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(Oc2ccccc2)c1)NCc1ccccc1 ZINC000035470089 527098009 /nfs/dbraw/zinc/09/80/09/527098009.db2.gz TXRWEZBKLZPREY-HHHXNRCGSA-N 0 0 446.550 6.799 50 0 IKAARN O=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000032986973 527098640 /nfs/dbraw/zinc/09/86/40/527098640.db2.gz QHZKXIRAABTAGW-UHFFFAOYSA-N 0 0 448.857 5.817 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)N1CCCC1 ZINC000035768767 527098744 /nfs/dbraw/zinc/09/87/44/527098744.db2.gz SQZZUUVSDXTVRE-RUZDIDTESA-N 0 0 426.535 5.973 50 0 IKAARN O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935381 527098900 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50 0 IKAARN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 ZINC000012245057 527119034 /nfs/dbraw/zinc/11/90/34/527119034.db2.gz AYJSIEXLBDHIPF-VMPITWQZSA-N 0 0 431.433 5.380 50 0 IKAARN O=C(Nc1cc(F)ccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021536790 527125313 /nfs/dbraw/zinc/12/53/13/527125313.db2.gz DVHRJLZAHLBOLX-DEOSSOPVSA-N 0 0 449.888 6.546 50 0 IKAARN O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1cccc(Br)c1 ZINC000001022478 527125546 /nfs/dbraw/zinc/12/55/46/527125546.db2.gz GTKQPAFQNFGRND-UHFFFAOYSA-N 0 0 435.321 5.393 50 0 IKAARN O=C(Nc1cc(F)ccc1F)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009464 527127720 /nfs/dbraw/zinc/12/77/20/527127720.db2.gz HFHVJPINYKTJCB-UHFFFAOYSA-N 0 0 436.462 5.461 50 0 IKAARN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccco2)N1CCc1c[nH]c2ccccc12 ZINC000012323638 527136829 /nfs/dbraw/zinc/13/68/29/527136829.db2.gz SXQDVTHFDGKUSF-DEOSSOPVSA-N 0 0 426.451 5.078 50 0 IKAARN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccco2)N1CCc1c[nH]c2ccccc12 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437.341 5.189 50 0 biogenic IKAARN O=C(Nc1ccc(Br)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037318 527155038 /nfs/dbraw/zinc/15/50/38/527155038.db2.gz CFBFOJWJWABGDS-IBGZPJMESA-N 0 0 449.308 5.410 50 0 IKAARN O=C(Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1)c1nsc2ccccc21 ZINC000021714464 527161985 /nfs/dbraw/zinc/16/19/85/527161985.db2.gz CUFOOZJBLZRZGB-UHFFFAOYSA-N 0 0 440.528 5.002 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012352819 527163368 /nfs/dbraw/zinc/16/33/68/527163368.db2.gz JOIDGNSJDYTPRQ-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccnc1-c1nc2ccccc2s1 ZINC000012757865 527173265 /nfs/dbraw/zinc/17/32/65/527173265.db2.gz NTPMHCAGCBRQNO-UHFFFAOYSA-N 0 0 434.830 5.678 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCC(n2c(CC3CCCC3)nc3cccnc32)CC1 ZINC000021020381 527177287 /nfs/dbraw/zinc/17/72/87/527177287.db2.gz SZCBNQFZMLTEGV-UHFFFAOYSA-N 0 0 437.975 5.686 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 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AGZBBMGVGVMGGQ-UHFFFAOYSA-N 0 0 439.450 5.040 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035527230 527193691 /nfs/dbraw/zinc/19/36/91/527193691.db2.gz JSFKMFINNRXEEF-UHFFFAOYSA-N 0 0 437.833 6.120 50 0 IKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033116288 527199874 /nfs/dbraw/zinc/19/98/74/527199874.db2.gz MANAMVSRAMQSOU-UHFFFAOYSA-N 0 0 445.563 5.350 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021893940 527201356 /nfs/dbraw/zinc/20/13/56/527201356.db2.gz XDLSNAQYZVZXGI-XMMPIXPASA-N 0 0 431.898 6.407 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1F)N(Cc1ccco1)C(=O)c1ccco1 ZINC000021785347 527202134 /nfs/dbraw/zinc/20/21/34/527202134.db2.gz NWOARAIMLSUOSH-JOCHJYFZSA-N 0 0 436.414 5.173 50 0 IKAARN O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000023723416 527203351 /nfs/dbraw/zinc/20/33/51/527203351.db2.gz DFEIFUFEHSMFGQ-OAQYLSRUSA-N 0 0 427.935 5.793 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000012792821 527203993 /nfs/dbraw/zinc/20/39/93/527203993.db2.gz WUSYGXRAOPQFAB-JOCHJYFZSA-N 0 0 440.902 5.110 50 0 IKAARN Cc1nc2sccn2c1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000011935627 527209587 /nfs/dbraw/zinc/20/95/87/527209587.db2.gz MHYSOVDUVMWZBR-JOCHJYFZSA-N 0 0 430.508 5.113 50 0 IKAARN O=S(=O)(NCCSCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl ZINC000012628142 527219047 /nfs/dbraw/zinc/21/90/47/527219047.db2.gz ZMYUTJQNYRZMSC-UHFFFAOYSA-N 0 0 445.220 5.512 50 0 IKAARN O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012524923 527225214 /nfs/dbraw/zinc/22/52/14/527225214.db2.gz UYOQCJXYULZTKM-FQEVSTJZSA-N 0 0 439.987 5.211 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1ccccc1F ZINC000037545141 527226440 /nfs/dbraw/zinc/22/64/40/527226440.db2.gz OGLPXXAZZRXJBL-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1cccs1 ZINC000037545325 527226534 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O=C(Nc1ccc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)cc1)C1CCCCC1 ZINC000021358053 527259282 /nfs/dbraw/zinc/25/92/82/527259282.db2.gz ADMZYEIERQYYKY-UHFFFAOYSA-N 0 0 437.521 5.276 50 0 IKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1Cl ZINC000035912177 527259431 /nfs/dbraw/zinc/25/94/31/527259431.db2.gz MXTNROQSFPLFKX-QFIPXVFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1Cl ZINC000035912176 527260088 /nfs/dbraw/zinc/26/00/88/527260088.db2.gz MXTNROQSFPLFKX-JOCHJYFZSA-N 0 0 426.900 5.510 50 0 IKAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1CSc1nc2ccccc2s1 ZINC000032963867 527263323 /nfs/dbraw/zinc/26/33/23/527263323.db2.gz SDGZJBHSFLREBI-UHFFFAOYSA-N 0 0 432.530 5.011 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047669 527284550 /nfs/dbraw/zinc/28/45/50/527284550.db2.gz KSEALHJZMRRCGX-DEOSSOPVSA-N 0 0 446.572 5.578 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035527227 527287324 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O=C(Nc1cccc(Cl)c1Cl)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000035688060 527346737 /nfs/dbraw/zinc/34/67/37/527346737.db2.gz VTBVVHVYCKOZFJ-LJQANCHMSA-N 0 0 446.309 5.504 50 0 IKAARN O=C(Nc1cccc(F)c1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021161932 527349337 /nfs/dbraw/zinc/34/93/37/527349337.db2.gz QODXRLMHBROMPW-UHFFFAOYSA-N 0 0 446.501 5.218 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1)c1ccc(Cl)cc1 ZINC000037545343 527359103 /nfs/dbraw/zinc/35/91/03/527359103.db2.gz FOWPWVZDKCHNLI-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1)C1CCCCC1 ZINC000035927044 527372601 /nfs/dbraw/zinc/37/26/01/527372601.db2.gz YOOVLSOPXBKFRY-QFIPXVFZSA-N 0 0 448.510 6.003 50 0 IKAARN O=C(Nc1cccc2c1CCCC2)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891382 527378049 /nfs/dbraw/zinc/37/80/49/527378049.db2.gz NBZUKMHSMMJJFI-AREMUKBSSA-N 0 0 439.584 6.555 50 0 IKAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)NCCC1=CCCCC1 ZINC000021656803 527383947 /nfs/dbraw/zinc/38/39/47/527383947.db2.gz RPTGNJKOTZTNCX-UHFFFAOYSA-N 0 0 425.985 5.939 50 0 IKAARN O=C(Nc1ccccc1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000021917768 527394546 /nfs/dbraw/zinc/39/45/46/527394546.db2.gz HFKSDDGOXPMFOF-RUZDIDTESA-N 0 0 439.584 6.555 50 0 IKAARN O=C(Nc1ccccc1)c1ccccc1OCc1csc(COc2ccc(F)cc2)n1 ZINC000012861296 527400314 /nfs/dbraw/zinc/40/03/14/527400314.db2.gz KWHUSIDZMIXYOU-UHFFFAOYSA-N 0 0 434.492 5.693 50 0 IKAARN O=C(Nc1ccccc1-c1ccccc1)c1cc(Br)c(Br)s1 ZINC000002620740 527403378 /nfs/dbraw/zinc/40/33/78/527403378.db2.gz FSRLPCOOGQWZMK-UHFFFAOYSA-N 0 0 437.156 6.192 50 0 IKAARN O=C(Nc1ccccc1Br)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037268 527406451 /nfs/dbraw/zinc/40/64/51/527406451.db2.gz MNNRNRIRXFKOOO-LJQANCHMSA-N 0 0 449.308 5.410 50 0 IKAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000012375355 527408726 /nfs/dbraw/zinc/40/87/26/527408726.db2.gz RGBCJZRXHUFQKX-UHFFFAOYSA-N 0 0 446.591 6.062 50 0 IKAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(OCCOc2ccccc2)c1 ZINC000012137679 527409556 /nfs/dbraw/zinc/40/95/56/527409556.db2.gz WWGVUYAZWGEQJA-UHFFFAOYSA-N 0 0 444.531 5.023 50 0 IKAARN O=C(Nc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21)c1nsc2ccccc21 ZINC000035510351 527410312 /nfs/dbraw/zinc/41/03/12/527410312.db2.gz GYGDDUNIBDDWJX-HXUWFJFHSA-N 0 0 427.529 5.356 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021649844 527410531 /nfs/dbraw/zinc/41/05/31/527410531.db2.gz MBOXJGCESJDFAF-UHFFFAOYSA-N 0 0 444.432 5.584 50 0 biogenic IKAARN O=C(Nc1ccccc1C(F)(F)F)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037096 527411970 /nfs/dbraw/zinc/41/19/70/527411970.db2.gz OJYYSDRCPKLZET-LJQANCHMSA-N 0 0 438.409 5.667 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037089 527412242 /nfs/dbraw/zinc/41/22/42/527412242.db2.gz OJYYSDRCPKLZET-IBGZPJMESA-N 0 0 438.409 5.667 50 0 IKAARN O=C(Nc1ccccc1Cl)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021536450 527416459 /nfs/dbraw/zinc/41/64/59/527416459.db2.gz WJFFRRKSGCIUAR-DEOSSOPVSA-N 0 0 449.888 6.546 50 0 IKAARN O=C(Nc1ccccc1F)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725160 527419733 /nfs/dbraw/zinc/41/97/33/527419733.db2.gz DBKQHFLNANSZLF-QHCPKHFHSA-N 0 0 437.877 6.279 50 0 IKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021888700 527421912 /nfs/dbraw/zinc/42/19/12/527421912.db2.gz RUTMEMVANVQFRG-XMMPIXPASA-N 0 0 431.898 6.407 50 0 IKAARN Cn1ccnc1-c1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1-c1ccccc1 ZINC000012544606 527425556 /nfs/dbraw/zinc/42/55/56/527425556.db2.gz JPUPXCPXPPVENV-UHFFFAOYSA-N 0 0 447.545 5.108 50 0 IKAARN O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000000725000 527425692 /nfs/dbraw/zinc/42/56/92/527425692.db2.gz SDPSYHFXDJOPFU-UHFFFAOYSA-N 0 0 435.527 5.055 50 0 IKAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 ZINC000012628433 527427957 /nfs/dbraw/zinc/42/79/57/527427957.db2.gz IAVNGVFTMBPODX-UHFFFAOYSA-N 0 0 433.558 5.257 50 0 IKAARN Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c12 ZINC000012250438 527429459 /nfs/dbraw/zinc/42/94/59/527429459.db2.gz BHNDFULQISXYPC-UHFFFAOYSA-N 0 0 430.916 6.690 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1cccs1 ZINC000012342064 527429594 /nfs/dbraw/zinc/42/95/94/527429594.db2.gz MPDINMNFCYMOTL-UHFFFAOYSA-N 0 0 429.423 5.085 50 0 IKAARN Nc1c(C(=O)c2ccc(F)c(F)c2)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000012369947 527430124 /nfs/dbraw/zinc/43/01/24/527430124.db2.gz GMHWDYDDMYHFSD-UHFFFAOYSA-N 0 0 426.513 5.995 50 0 IKAARN O=C(N/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1)c1ccccc1 ZINC000012375875 527434810 /nfs/dbraw/zinc/43/48/10/527434810.db2.gz QSMTUVHWFKWHKP-XLNRJJMWSA-N 0 0 434.923 5.383 50 0 IKAARN O=C(Nc1ccccc1SC[C@H](O)Cn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000001028088 527435832 /nfs/dbraw/zinc/43/58/32/527435832.db2.gz JUBIBVTZKPGHEP-HXUWFJFHSA-N 0 0 436.964 5.700 50 0 IKAARN O=c1nc(CN2CCC[C@H]2c2nc3ccccc3s2)[nH]c2sc(-c3ccccc3)cc21 ZINC000012769657 527438177 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O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1ccc(Cl)cc1 ZINC000035400282 527457055 /nfs/dbraw/zinc/45/70/55/527457055.db2.gz PYGKQNKJDRRPKV-UHFFFAOYSA-N 0 0 434.326 5.755 50 0 IKAARN O=c1c2c(ncn1CCc1ccccc1)c1ccccc1n2Cc1cccc(C(F)(F)F)c1 ZINC000035400249 527457240 /nfs/dbraw/zinc/45/72/40/527457240.db2.gz UQVSBKMJHIUOPQ-UHFFFAOYSA-N 0 0 447.460 5.661 50 0 IKAARN O=c1c2c(ncn1CCc1ccccc1)c1ccccc1n2Cc1ccc(F)cc1Cl ZINC000035400251 527457528 /nfs/dbraw/zinc/45/75/28/527457528.db2.gz WPLYHENWMYGPNW-UHFFFAOYSA-N 0 0 431.898 5.435 50 0 IKAARN O=c1c2c(ncn1CCc1ccccc1)c1ccccc1n2Cc1c(F)cccc1Cl ZINC000035400244 527457602 /nfs/dbraw/zinc/45/76/02/527457602.db2.gz YJWKKOGUAXNYLN-UHFFFAOYSA-N 0 0 431.898 5.435 50 0 IKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1ccc(F)cc1 ZINC000035400554 527457810 /nfs/dbraw/zinc/45/78/10/527457810.db2.gz MJPRSSNCZSHSJG-UHFFFAOYSA-N 0 0 435.861 5.379 50 0 IKAARN O=C(NC(=S)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1)c1ccco1 ZINC000012563084 527458772 /nfs/dbraw/zinc/45/87/72/527458772.db2.gz FYNUBIMWDZHAKF-YODYHSALSA-N 0 0 441.556 5.591 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012560379 527464508 /nfs/dbraw/zinc/46/45/08/527464508.db2.gz NILMCKLMEKTDHK-HSZRJFAPSA-N 0 0 449.913 5.311 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1cccc(C(F)(F)F)c1 ZINC000020662625 527465122 /nfs/dbraw/zinc/46/51/22/527465122.db2.gz KEJJGQCUVJNLDY-FOCLMDBBSA-N 0 0 442.440 6.728 50 0 IKAARN O=C(NC(Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000012375904 527466447 /nfs/dbraw/zinc/46/64/47/527466447.db2.gz YLUYDEIVIZKUCP-UHFFFAOYSA-N 0 0 431.163 5.656 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2Cl)n1-c1ccccc1F ZINC000035910994 527466506 /nfs/dbraw/zinc/46/65/06/527466506.db2.gz ONYRPVBTBLTLIX-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035911018 527466522 /nfs/dbraw/zinc/46/65/22/527466522.db2.gz LDCAOPJETFRQTB-UHFFFAOYSA-N 0 0 449.309 6.263 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1-c1ccc(Cl)cc1Cl ZINC000035911009 527467220 /nfs/dbraw/zinc/46/72/20/527467220.db2.gz NSSLUKVLECFQBH-UHFFFAOYSA-N 0 0 431.319 6.124 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1-c1cc(Cl)ccc1Cl ZINC000035911023 527467305 /nfs/dbraw/zinc/46/73/05/527467305.db2.gz KSUYFBHEPRUJIP-UHFFFAOYSA-N 0 0 447.774 6.638 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2)c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000020354867 527471622 /nfs/dbraw/zinc/47/16/22/527471622.db2.gz UKZDJVIBIJJOOG-UHFFFAOYSA-N 0 0 436.895 5.208 50 0 IKAARN O=c1c2oc3ccccc3c2nc(SCc2nc(-c3ccccc3)no2)n1C1CCCC1 ZINC000021657923 527471881 /nfs/dbraw/zinc/47/18/81/527471881.db2.gz AWPZUOJCGXVRNH-UHFFFAOYSA-N 0 0 444.516 5.600 50 0 IKAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(F)c(F)c1F ZINC000012644298 527472224 /nfs/dbraw/zinc/47/22/24/527472224.db2.gz GKQOCBVUQDXMNU-UHFFFAOYSA-N 0 0 426.373 5.740 50 0 IKAARN O=c1c2sccc2n2c(SCc3ccccc3Cl)nnc2n1Cc1ccccc1 ZINC000035529234 527472356 /nfs/dbraw/zinc/47/23/56/527472356.db2.gz IIMFPXXINMRBNL-UHFFFAOYSA-N 0 0 438.965 5.100 50 0 IKAARN O=c1nc2n(c3sc4c(c31)CCCC4)Cc1ccccc1/C2=C\c1ccc(Cl)cc1 ZINC000012578088 527496761 /nfs/dbraw/zinc/49/67/61/527496761.db2.gz OAHQLRVJTOYAPV-DEDYPNTBSA-N 0 0 430.960 5.941 50 0 IKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Br)s1 ZINC000020605431 527500770 /nfs/dbraw/zinc/50/07/70/527500770.db2.gz OVCWCHLQSAWCOJ-UHFFFAOYSA-N 0 0 441.375 6.553 50 0 IKAARN O=C(Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1)c1cnccn1 ZINC000020859323 527502053 /nfs/dbraw/zinc/50/20/53/527502053.db2.gz NILCGPVLARMARV-UHFFFAOYSA-N 0 0 427.316 5.826 50 0 IKAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000014706266 527502290 /nfs/dbraw/zinc/50/22/90/527502290.db2.gz FMMLTHFEBRVYHX-UHFFFAOYSA-N 0 0 448.857 5.920 50 0 IKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022020210 527510161 /nfs/dbraw/zinc/51/01/61/527510161.db2.gz DQRMYEYWCGIYFI-UHFFFAOYSA-N 0 0 448.525 5.269 50 0 IKAARN O=C(NC1CCCCC1)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000012249861 527512231 /nfs/dbraw/zinc/51/22/31/527512231.db2.gz PMXCPHBHZSAPHM-NRFANRHFSA-N 0 0 445.563 5.293 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000033275326 527517020 /nfs/dbraw/zinc/51/70/20/527517020.db2.gz GBXUTCAQLYNBHA-UHFFFAOYSA-N 0 0 427.508 5.286 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000033275327 527517350 /nfs/dbraw/zinc/51/73/50/527517350.db2.gz WOAVWZGTFIOUOC-UHFFFAOYSA-N 0 0 427.508 5.286 50 0 IKAARN O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000020986235 527518307 /nfs/dbraw/zinc/51/83/07/527518307.db2.gz PTMMMZLZMYCHIF-UHFFFAOYSA-N 0 0 449.620 5.383 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C)cc1C ZINC000033258585 527518625 /nfs/dbraw/zinc/51/86/25/527518625.db2.gz WAJGIECLBUDTLJ-UHFFFAOYSA-N 0 0 427.508 5.367 50 0 IKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012273864 527520256 /nfs/dbraw/zinc/52/02/56/527520256.db2.gz ZVDQIOTTXNSNQS-HSZRJFAPSA-N 0 0 440.524 5.440 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 ZINC000015681428 527521338 /nfs/dbraw/zinc/52/13/38/527521338.db2.gz ROGQFNSFMQUFFK-UHFFFAOYSA-N 0 0 440.482 5.061 50 0 IKAARN Cc1nn(-c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021717333 527522213 /nfs/dbraw/zinc/52/22/13/527522213.db2.gz ZXGRDFSMENPYTR-QFIPXVFZSA-N 0 0 427.548 5.143 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012762736 527522578 /nfs/dbraw/zinc/52/25/78/527522578.db2.gz RQZNTEWLWFGXFA-UHFFFAOYSA-N 0 0 447.542 5.903 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012578382 527525521 /nfs/dbraw/zinc/52/55/21/527525521.db2.gz KZVSOQSQKPFZRU-DEOSSOPVSA-N 0 0 446.341 6.477 50 0 IKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000020616527 527527133 /nfs/dbraw/zinc/52/71/33/527527133.db2.gz QCGWRYOFKCOUAP-ITYLOYPMSA-N 0 0 449.841 6.046 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c12 ZINC000020604989 527529846 /nfs/dbraw/zinc/52/98/46/527529846.db2.gz SCOAXHJIPJEXQU-UHFFFAOYSA-N 0 0 429.373 5.325 50 0 IKAARN Cc1nn(-c2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)c(=O)c2ccccc12 ZINC000012444847 527530998 /nfs/dbraw/zinc/53/09/98/527530998.db2.gz LXMITXNIJQWWSA-LJQANCHMSA-N 0 0 439.559 5.635 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000017180036 527534706 /nfs/dbraw/zinc/53/47/06/527534706.db2.gz PEMGPMGWAMLIAQ-UHFFFAOYSA-N 0 0 429.716 5.721 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NC[C@H](C)c3ccccc3)c12 ZINC000020579064 527536213 /nfs/dbraw/zinc/53/62/13/527536213.db2.gz YXTYYNZSCKUVOT-HNNXBMFYSA-N 0 0 432.955 5.533 50 0 IKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021100841 527537279 /nfs/dbraw/zinc/53/72/79/527537279.db2.gz UOBBWCSUEOXNJX-UHFFFAOYSA-N 0 0 439.441 5.312 50 0 IKAARN O=C(Nc1sc2c(c1[C@@H](Nc1ccccn1)c1ccsc1)CCCC2)c1ccccc1 ZINC000035476879 527541813 /nfs/dbraw/zinc/54/18/13/527541813.db2.gz QLFPZOHRGRUPPF-QHCPKHFHSA-N 0 0 445.613 6.537 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccccn1)CCCC2)c1ccccc1 ZINC000035476866 527542231 /nfs/dbraw/zinc/54/22/31/527542231.db2.gz ZRQJTCKEHSCTLK-XMMPIXPASA-N 0 0 440.572 5.871 50 0 IKAARN O=C(Nn1c(=O)c2cc(Cc3ccccc3)sc2[nH]c1=S)c1csc2ccccc12 ZINC000020522949 527542245 /nfs/dbraw/zinc/54/22/45/527542245.db2.gz ROSJZUNRKPVEJF-UHFFFAOYSA-N 0 0 449.582 5.310 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012748828 527543519 /nfs/dbraw/zinc/54/35/19/527543519.db2.gz KMHPGBJNARJRJI-RUZDIDTESA-N 0 0 428.511 5.098 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000040063187 527544155 /nfs/dbraw/zinc/54/41/55/527544155.db2.gz SPTGZUPRBPYPCG-OAHLLOKOSA-N 0 0 431.367 5.427 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035980212 527548642 /nfs/dbraw/zinc/54/86/42/527548642.db2.gz XQHDFPGLQSZRNW-UHFFFAOYSA-N 0 0 435.955 5.775 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)C1CCCC1)C1CC1 ZINC000035977027 527548982 /nfs/dbraw/zinc/54/89/82/527548982.db2.gz CNNITIUINMHOFD-UHFFFAOYSA-N 0 0 429.564 5.963 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC1CC1)C(=O)NC(C)(C)C ZINC000035978606 527549088 /nfs/dbraw/zinc/54/90/88/527549088.db2.gz NLHANQDQVXQVGR-UHFFFAOYSA-N 0 0 446.595 6.002 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)NC(C)C)C(C)C ZINC000035980315 527549424 /nfs/dbraw/zinc/54/94/24/527549424.db2.gz JOMRNDCGBZRBAO-UHFFFAOYSA-N 0 0 440.975 5.955 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC1CC1)C(=O)C(C)C ZINC000035976362 527549524 /nfs/dbraw/zinc/54/95/24/527549524.db2.gz ULNJANZMZPAQKE-UHFFFAOYSA-N 0 0 439.506 5.646 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1ccc(F)cc1)C1CC1 ZINC000035970731 527550943 /nfs/dbraw/zinc/55/09/43/527550943.db2.gz WRIMXSMBNIADLT-UHFFFAOYSA-N 0 0 441.506 5.917 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000035977099 527551083 /nfs/dbraw/zinc/55/10/83/527551083.db2.gz NFDSDQFOOCHPLP-DEOSSOPVSA-N 0 0 445.563 5.199 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)c(F)c1)c1c(=O)oc3ccccc3c1N2 ZINC000012561729 527553541 /nfs/dbraw/zinc/55/35/41/527553541.db2.gz XBDODGGADIVWOW-QFIPXVFZSA-N 0 0 441.437 5.803 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)cc12 ZINC000020616102 527556342 /nfs/dbraw/zinc/55/63/42/527556342.db2.gz JELRVMWWFONAOL-UHFFFAOYSA-N 0 0 431.496 5.032 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Br)cc3C)cc12 ZINC000035509914 527556646 /nfs/dbraw/zinc/55/66/46/527556646.db2.gz JQKYPBTXRLBXDY-UHFFFAOYSA-N 0 0 426.339 5.719 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3csc(-c4ccccc4)n3)cc12 ZINC000012650098 527557890 /nfs/dbraw/zinc/55/78/90/527557890.db2.gz SHVSHGPMZATJKI-UHFFFAOYSA-N 0 0 431.542 5.876 50 0 IKAARN O=C(NCC(c1ccccc1)c1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012598651 527559839 /nfs/dbraw/zinc/55/98/39/527559839.db2.gz IAVFQBRDEFJBLG-UHFFFAOYSA-N 0 0 444.538 5.496 50 0 IKAARN Cc1nn(-c2ccccc2Cl)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012564923 527564906 /nfs/dbraw/zinc/56/49/06/527564906.db2.gz ZZKNQLQJYBMYOK-XMMPIXPASA-N 0 0 446.341 6.477 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccccc3C)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893633 527569768 /nfs/dbraw/zinc/56/97/68/527569768.db2.gz MHZSNDMRUKDDDN-UHFFFAOYSA-N 0 0 430.577 5.714 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c(C)c1Cc1ccccc1 ZINC000014609263 527570549 /nfs/dbraw/zinc/57/05/49/527570549.db2.gz RBIYMIGKJVBSHE-UHFFFAOYSA-N 0 0 436.968 5.371 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000021726194 527571595 /nfs/dbraw/zinc/57/15/95/527571595.db2.gz GXTCXLXTHMBCDZ-LJQANCHMSA-N 0 0 444.560 5.586 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000015868286 527571808 /nfs/dbraw/zinc/57/18/08/527571808.db2.gz IFAKUBPSACCGFE-AWEZNQCLSA-N 0 0 442.466 5.592 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cc(Cl)ccc1F)CC(=O)N2 ZINC000021661069 527571826 /nfs/dbraw/zinc/57/18/26/527571826.db2.gz CCUUHCVSXLCQCE-AWEZNQCLSA-N 0 0 426.904 5.365 50 0 IKAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(Oc3ccccc3)c1)SCC(=O)N2 ZINC000020714619 527572435 /nfs/dbraw/zinc/57/24/35/527572435.db2.gz XAVASKTZHIKNMU-OAQYLSRUSA-N 0 0 429.505 5.187 50 0 IKAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OCc3cccc(Cl)c3)c1)CC(=O)N2 ZINC000020729659 527572465 /nfs/dbraw/zinc/57/24/65/527572465.db2.gz KSUJYFMCEBGYPZ-FQEVSTJZSA-N 0 0 445.910 5.327 50 0 IKAARN OCCn1c(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc21 ZINC000012559634 527576355 /nfs/dbraw/zinc/57/63/55/527576355.db2.gz CWHDDMBDIYCBQE-SFHVURJKSA-N 0 0 426.973 5.019 50 0 IKAARN Cn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036617024 527582065 /nfs/dbraw/zinc/58/20/65/527582065.db2.gz QCYHMQKOLOHPCB-UHFFFAOYSA-N 0 0 430.817 5.560 50 0 IKAARN O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000012787195 527601217 /nfs/dbraw/zinc/60/12/17/527601217.db2.gz GXVDSBMEIJJHBO-LZCJLJQNSA-N 0 0 443.252 6.013 50 0 IKAARN O=C(C=Cc1c[nH]cn1)N(Cc1ccc(OC2CCCCCCC2)cc1)Cc1cccnc1 ZINC000012150869 527601844 /nfs/dbraw/zinc/60/18/44/527601844.db2.gz XJSAPJYFWIFTNR-NTCAYCPXSA-N 0 0 444.579 5.539 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000015905958 527607524 /nfs/dbraw/zinc/60/75/24/527607524.db2.gz CJQKVTCNZNGYMR-NHOKYHNRSA-N 0 0 432.907 6.362 50 0 IKAARN O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000012506707 527617965 /nfs/dbraw/zinc/61/79/65/527617965.db2.gz BSEBALTVPBZBRN-KCQSEKJDSA-N 0 0 429.545 5.352 50 0 IKAARN O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC[C@H]1c1cccs1 ZINC000012506709 527618208 /nfs/dbraw/zinc/61/82/08/527618208.db2.gz BSEBALTVPBZBRN-FLSMSTFGSA-N 0 0 429.545 5.352 50 0 IKAARN O=C(/C=C/c1ccccc1)Nc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3 ZINC000012895934 527632545 /nfs/dbraw/zinc/63/25/45/527632545.db2.gz AYJBTECUFDWTBV-BUHFOSPRSA-N 0 0 447.490 6.347 50 0 biogenic IKAARN OCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000020905601 527632908 /nfs/dbraw/zinc/63/29/08/527632908.db2.gz XVFZTSLFEDEOSX-HSZRJFAPSA-N 0 0 426.438 5.420 50 0 IKAARN Cc1nn(C)c(C)c1NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012774295 527645714 /nfs/dbraw/zinc/64/57/14/527645714.db2.gz JGIVXTUVTYXZRB-SDNWHVSQSA-N 0 0 445.954 5.254 50 0 IKAARN O=C(/C=C\c1ccc(Cl)cc1)N1C(/C=C\c2ccc(Cl)cc2)=N[C@@H]2CCCC[C@@H]21 ZINC000033777888 527654720 /nfs/dbraw/zinc/65/47/20/527654720.db2.gz ZSRUAOVZKYBDSK-BNDHEPRXSA-N 0 0 425.359 6.272 50 0 IKAARN Cc1nn(C)c(Cl)c1CN1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012440070 527665705 /nfs/dbraw/zinc/66/57/05/527665705.db2.gz SBXPKDVJDRINSJ-UHFFFAOYSA-N 0 0 436.987 5.208 50 0 IKAARN FC(F)(F)c1cc(-c2ccc3c(c2)OCCO3)nc2onc(-c3ccc4c(c3)OCO4)c21 ZINC000020616849 527679858 /nfs/dbraw/zinc/67/98/58/527679858.db2.gz OLEMICSBHCAXFC-UHFFFAOYSA-N 0 0 442.349 5.076 50 0 IKAARN FC(F)(F)c1cc(-c2ccc3c(c2)OCCO3)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020615418 527679963 /nfs/dbraw/zinc/67/99/63/527679963.db2.gz YZPBBOTVKZUTSX-UHFFFAOYSA-N 0 0 437.421 5.755 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(CSc3ccc(-c4ccc(Cl)cc4)nn3)n2)cc1 ZINC000033021965 527681238 /nfs/dbraw/zinc/68/12/38/527681238.db2.gz AYNNSVWJDRJVOC-UHFFFAOYSA-N 0 0 448.857 6.158 50 0 IKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NC[C@@H]2CCCO2)c2cc(Cl)ccc23)c1 ZINC000021779510 527684365 /nfs/dbraw/zinc/68/43/65/527684365.db2.gz QPILBCHKVRRPBK-HNNXBMFYSA-N 0 0 447.848 5.208 50 0 IKAARN FC(F)(F)c1ccc([C@H]2[C@H]3C(=NN2c2cc(Cl)ccc2Cl)C2CCN3CC2)cc1 ZINC000020458363 527684541 /nfs/dbraw/zinc/68/45/41/527684541.db2.gz HPZOIPIGTUOSOD-VQTJNVASSA-N 0 0 440.296 6.024 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc3cccnc3n2Cc2cn3ccccc3n2)c1 ZINC000020927680 527685666 /nfs/dbraw/zinc/68/56/66/527685666.db2.gz DXZPVLITZSXHLV-UHFFFAOYSA-N 0 0 439.466 5.438 50 0 IKAARN FC(F)(F)c1cccc(N2N=N[C@@H]3CCCC(=Cc4ccccc4)[C@@]32N2CCOCC2)c1 ZINC000021540599 527685727 /nfs/dbraw/zinc/68/57/27/527685727.db2.gz KFXWBCPFNYJMKN-MMWPRLKQSA-N 0 0 442.485 5.557 50 0 IKAARN FC(F)(F)c1cnc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)c1 ZINC000020405549 527688729 /nfs/dbraw/zinc/68/87/29/527688729.db2.gz GEHHNIGHOQLEGD-UHFFFAOYSA-N 0 0 445.194 5.148 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nc2ccccc2o1 ZINC000002092451 534935296 /nfs/dbraw/zinc/93/52/96/534935296.db2.gz WTSUOGGBQYDNBR-HHHXNRCGSA-N 0 0 442.584 6.441 50 0 IKAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000002354752 534936161 /nfs/dbraw/zinc/93/61/61/534936161.db2.gz PCDFVSXWLASOAJ-XMMPIXPASA-N 0 0 425.981 6.024 50 0 IKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 ZINC000002069029 534936176 /nfs/dbraw/zinc/93/61/76/534936176.db2.gz CGVDDQVEPZWNIJ-RUZDIDTESA-N 0 0 434.377 6.584 50 0 IKAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSc1nc[nH]n1 ZINC000006232558 534936210 /nfs/dbraw/zinc/93/62/10/534936210.db2.gz UJRULAJRVQBIQM-JOCHJYFZSA-N 0 0 426.973 5.072 50 0 IKAARN CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@H]2C)cc1 ZINC000002743034 535084766 /nfs/dbraw/zinc/08/47/66/535084766.db2.gz LMZAHBRNVSYUPS-AMGIVPHBSA-N 0 0 426.604 7.238 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1ccccc1Cl ZINC000002290106 535096303 /nfs/dbraw/zinc/09/63/03/535096303.db2.gz UIHWCEJNMCNTQC-UHFFFAOYSA-N 0 0 434.007 6.520 50 0 IKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(Br)cc1 ZINC000003011998 535096753 /nfs/dbraw/zinc/09/67/53/535096753.db2.gz MNCWVLRIXPLRJG-UHFFFAOYSA-N 0 0 448.432 6.864 50 0 IKAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000009190079 535117331 /nfs/dbraw/zinc/11/73/31/535117331.db2.gz VJLFNDHBHZUWIX-UHFFFAOYSA-N 0 0 442.544 6.370 50 0 IKAARN CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062556 535135736 /nfs/dbraw/zinc/13/57/36/535135736.db2.gz BOFIYDDWRPEMMV-IWIPYMOSSA-N 0 0 446.547 5.646 50 0 IKAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000009190024 535296378 /nfs/dbraw/zinc/29/63/78/535296378.db2.gz QXKBOPHSPFAFFG-DFBJGRDBSA-N 0 0 428.532 5.619 50 0 IKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@H]1C ZINC000013592294 535318479 /nfs/dbraw/zinc/31/84/79/535318479.db2.gz SHRGQDIZFCHWSK-CJFMBICVSA-N 0 0 428.532 5.375 50 0 IKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000013592292 535319201 /nfs/dbraw/zinc/31/92/01/535319201.db2.gz SHRGQDIZFCHWSK-NBGIEHNGSA-N 0 0 428.532 5.375 50 0 IKAARN CC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C ZINC000000898824 535374299 /nfs/dbraw/zinc/37/42/99/535374299.db2.gz IETAVFIVVRCJLR-KBMIEXCESA-N 0 0 430.523 5.995 50 0 IKAARN CC(C)C(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C ZINC000001237052 535374368 /nfs/dbraw/zinc/37/43/68/535374368.db2.gz NESFTUWYFPCXLD-CLOONOSVSA-N 0 0 430.523 5.995 50 0 IKAARN CC(C)C(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C ZINC000013590781 535374380 /nfs/dbraw/zinc/37/43/80/535374380.db2.gz IETAVFIVVRCJLR-DFBJGRDBSA-N 0 0 430.523 5.995 50 0 IKAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Br)cc1 ZINC000000855402 535430293 /nfs/dbraw/zinc/43/02/93/535430293.db2.gz YICLUFWUEKILGD-UHFFFAOYSA-N 0 0 436.371 5.239 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)Cc1ccccc1 ZINC000002259098 535430448 /nfs/dbraw/zinc/43/04/48/535430448.db2.gz AHTDKLKASMYTBD-UHFFFAOYSA-N 0 0 427.616 6.429 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(F)c1 ZINC000002065958 535431081 /nfs/dbraw/zinc/43/10/81/535431081.db2.gz ISGCMJUYVMDORZ-UHFFFAOYSA-N 0 0 431.579 6.639 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccc(C)cc1 ZINC000002275960 535431262 /nfs/dbraw/zinc/43/12/62/535431262.db2.gz RBIMZWMZRRRBST-UHFFFAOYSA-N 0 0 427.616 6.809 50 0 IKAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2ccc(Br)c(C)c2)CO1 ZINC000009308277 535776804 /nfs/dbraw/zinc/77/68/04/535776804.db2.gz OHQTWVGZXCMQDS-UHFFFAOYSA-N 0 0 448.744 5.826 50 0 IKAARN CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000009056665 535962459 /nfs/dbraw/zinc/96/24/59/535962459.db2.gz XISQUFYSDMNNIZ-JYFHCDHNSA-N 0 0 428.532 5.381 50 0 IKAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2ccc(Br)cc2F)CO1 ZINC000009293348 536095617 /nfs/dbraw/zinc/09/56/17/536095617.db2.gz NKCWMZCMJHMRAC-UHFFFAOYSA-N 0 0 438.680 5.267 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1sc2ncnc(N3CCCC[C@@H]3C)c2c1C ZINC000002924209 536577274 /nfs/dbraw/zinc/57/72/74/536577274.db2.gz BSZBCFQLZXIPBN-LBPRGKRZSA-N 0 0 430.961 5.293 50 0 IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000002314891 536579839 /nfs/dbraw/zinc/57/98/39/536579839.db2.gz UYDKTHGOXQYNCN-MDWZMJQESA-N 0 0 427.447 6.557 50 0 aggregator IKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@](C)(c3ccc(C)cc3)CC2(C)C)cc1 ZINC000002279377 536580842 /nfs/dbraw/zinc/58/08/42/536580842.db2.gz NRTDZUHMCHARHE-NGNWLEOVSA-N 0 0 425.572 6.538 50 0 IKAARN COC(=O)c1ccc(N2CCCCC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001431513 536733051 /nfs/dbraw/zinc/73/30/51/536733051.db2.gz SOKVMTXXUZVHRT-UHFFFAOYSA-N 0 0 428.532 5.234 50 0 IKAARN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC000013039253 537105575 /nfs/dbraw/zinc/10/55/75/537105575.db2.gz AVPSPJJCBUHCHH-SHQCIBLASA-N 0 0 442.559 5.743 50 0 IKAARN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccccc2C)CCC(=O)N1c1ccc(C)cc1 ZINC000013119978 537105839 /nfs/dbraw/zinc/10/58/39/537105839.db2.gz LSLSVKPBFHPNAP-ATIYNZHBSA-N 0 0 428.532 5.435 50 0 IKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000009278563 555506920 /nfs/dbraw/zinc/50/69/20/555506920.db2.gz ZNTHWWLBNAANDM-UHFFFAOYSA-N 0 0 449.479 5.486 50 0 IKAARN CC(C)N(C(=O)CSc1nncn1-c1ccccc1)c1ccc(Nc2ccccc2)cc1 ZINC000009220995 555510779 /nfs/dbraw/zinc/51/07/79/555510779.db2.gz FJFBAGSWEVOWFO-UHFFFAOYSA-N 0 0 443.576 5.545 50 0 IKAARN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nn12 ZINC000000624112 555511646 /nfs/dbraw/zinc/51/16/46/555511646.db2.gz KBTWFHHYKCASSF-UHFFFAOYSA-N 0 0 435.896 5.327 50 0 IKAARN COc1cc(CNc2ccc(NC(C)=O)cc2)ccc1OCc1c(F)cccc1Cl ZINC000000624234 555511794 /nfs/dbraw/zinc/51/17/94/555511794.db2.gz OOFHXFZMMRYYNK-UHFFFAOYSA-N 0 0 428.891 5.637 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000000624739 555512032 /nfs/dbraw/zinc/51/20/32/555512032.db2.gz FRCMNGQPNVEQSE-UHFFFAOYSA-N 0 0 430.533 5.064 50 0 IKAARN O=C(Cn1c(=O)sc2cccc(Cl)c21)OCc1cccc(Oc2ccccc2)c1 ZINC000000625621 555512429 /nfs/dbraw/zinc/51/24/29/555512429.db2.gz IYQNBXHTKPTLGX-UHFFFAOYSA-N 0 0 425.893 5.252 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc(-c3ccc(O)cc3)cc12 ZINC000000626822 555512906 /nfs/dbraw/zinc/51/29/06/555512906.db2.gz NEJHBQUTFKFFSD-UHFFFAOYSA-N 0 0 436.467 5.268 50 0 IKAARN COc1ccc(OC)c(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000626720 555512942 /nfs/dbraw/zinc/51/29/42/555512942.db2.gz UTVRIPBZIWGZBZ-INIZCTEOSA-N 0 0 445.346 5.592 50 0 IKAARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1Cc1ccco1 ZINC000000628616 555513716 /nfs/dbraw/zinc/51/37/16/555513716.db2.gz WFQNTVKEFFCTGQ-UHFFFAOYSA-N 0 0 430.533 5.226 50 0 IKAARN COC(=O)c1cc(Oc2ncnc3scc(-c4ccc(C)cc4)c32)cc(C(=O)OC)c1 ZINC000000628346 555513799 /nfs/dbraw/zinc/51/37/99/555513799.db2.gz VLEOTQFJVNTSQY-UHFFFAOYSA-N 0 0 434.473 5.032 50 0 IKAARN O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc2cccc3c2c1CC3 ZINC000000629326 555514019 /nfs/dbraw/zinc/51/40/19/555514019.db2.gz AFPGBNOMHFFMAG-UHFFFAOYSA-N 0 0 431.542 5.115 50 0 IKAARN COc1ccc(C(=O)[C@H](Cn2cncn2)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000630070 555514230 /nfs/dbraw/zinc/51/42/30/555514230.db2.gz RXRFAQKQVNVOKI-UKILVPOCSA-N 0 0 429.545 5.319 50 0 IKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000000633737 555516098 /nfs/dbraw/zinc/51/60/98/555516098.db2.gz VFKJIMSMWKLQNW-BJKOFHAPSA-N 0 0 442.906 5.153 50 0 IKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000000634774 555516676 /nfs/dbraw/zinc/51/66/76/555516676.db2.gz XMTNESBWGAQFGD-QHCPKHFHSA-N 0 0 435.936 5.560 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000000635897 555516705 /nfs/dbraw/zinc/51/67/05/555516705.db2.gz BCCLDKHKGGZOJH-DQEYMECFSA-N 0 0 438.556 5.521 50 0 IKAARN COC(=O)c1c(C)oc2ccc(OCc3ccc(-c4cnc(-c5ccccc5)o4)cc3)cc21 ZINC000000639008 555517828 /nfs/dbraw/zinc/51/78/28/555517828.db2.gz JVYUELZOVKAFEF-UHFFFAOYSA-N 0 0 439.467 6.429 50 0 IKAARN O=C(Nc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000640629 555518021 /nfs/dbraw/zinc/51/80/21/555518021.db2.gz XQACHKSVOVCHGX-UHFFFAOYSA-N 0 0 429.701 5.978 50 0 IKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000640190 555518036 /nfs/dbraw/zinc/51/80/36/555518036.db2.gz REOAFLMBSBJHRF-VWLOTQADSA-N 0 0 434.561 5.738 50 0 IKAARN O=c1c2c3c(sc2nc(SCc2nc4ccccc4[nH]2)n1-c1ccccc1)CCCC3 ZINC000000641455 555518657 /nfs/dbraw/zinc/51/86/57/555518657.db2.gz FNKCMKGUYKKAMW-UHFFFAOYSA-N 0 0 444.585 5.495 50 0 IKAARN Cn1nc(C(C)(C)C)c2cc3c(F)c(F)c(-n4cc(CO)c5ccccc54)c(F)c3nc21 ZINC000000642853 555518981 /nfs/dbraw/zinc/51/89/81/555518981.db2.gz POYPDRPEOQOBRL-UHFFFAOYSA-N 0 0 438.453 5.273 50 0 IKAARN COc1ccc(-c2c3c(nc4c2CCCC4)sc2c3ncnc2-n2nc(C)cc2C)cc1 ZINC000000642962 555519254 /nfs/dbraw/zinc/51/92/54/555519254.db2.gz ZXOMEWKZDYFFEI-UHFFFAOYSA-N 0 0 441.560 5.596 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCC2)C1 ZINC000000643924 555519495 /nfs/dbraw/zinc/51/94/95/555519495.db2.gz BHPMPNLYBIODNW-OAHLLOKOSA-N 0 0 430.639 5.839 50 0 IKAARN C[C@@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000000643589 555519529 /nfs/dbraw/zinc/51/95/29/555519529.db2.gz JMKHMPCWYVWVRX-FNZWTVRRSA-N 0 0 438.527 5.903 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)NCc2ccco2)C1 ZINC000000643940 555519603 /nfs/dbraw/zinc/51/96/03/555519603.db2.gz OPSZNUKRJMXMRC-QGZVFWFLSA-N 0 0 436.577 5.674 50 0 IKAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)C[C@@H](C(C)(C)C)CC3)c1 ZINC000000644015 555519812 /nfs/dbraw/zinc/51/98/12/555519812.db2.gz XMNDNTBEKZJTFJ-SFHVURJKSA-N 0 0 447.604 6.107 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)c(OC)c1 ZINC000000646197 555520784 /nfs/dbraw/zinc/52/07/84/555520784.db2.gz MXUZGBDQSKGCIW-VWLOTQADSA-N 0 0 432.545 6.020 50 0 IKAARN Cc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000646581 555521070 /nfs/dbraw/zinc/52/10/70/555521070.db2.gz ZZYOUNBTUCHNQD-OAHLLOKOSA-N 0 0 431.483 5.268 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cccnc1Cl ZINC000000646587 555521125 /nfs/dbraw/zinc/52/11/25/555521125.db2.gz GMTODCWBZIZXFT-NSHDSACASA-N 0 0 438.862 5.330 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(C)c4)c3N2)cc1 ZINC000000646989 555521314 /nfs/dbraw/zinc/52/13/14/555521314.db2.gz KHMYBUJMXMAJNU-VQTJNVASSA-N 0 0 428.458 5.721 50 0 IKAARN O[C@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2nc1Cc1ccccc1 ZINC000000647292 555521664 /nfs/dbraw/zinc/52/16/64/555521664.db2.gz BCGHHUZEGHFWTE-JOCHJYFZSA-N 0 0 431.539 5.796 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000000648449 555521871 /nfs/dbraw/zinc/52/18/71/555521871.db2.gz SHIWXPNWJSOYLA-UHFFFAOYSA-N 0 0 433.305 5.925 50 0 IKAARN COC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc(C)c1-c1ccc(OC)cc1 ZINC000000648310 555521874 /nfs/dbraw/zinc/52/18/74/555521874.db2.gz AQDQNPHFYYKZOV-UHFFFAOYSA-N 0 0 429.925 5.353 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000000648599 555521907 /nfs/dbraw/zinc/52/19/07/555521907.db2.gz BPYVXZKRHYFMTO-UHFFFAOYSA-N 0 0 442.588 5.514 50 0 IKAARN C[C@@H]1CCc2c(sc(NC(=O)c3sc4cccc(Cl)c4c3Cl)c2C(N)=O)C1 ZINC000000648989 555522103 /nfs/dbraw/zinc/52/21/03/555522103.db2.gz DRKLODRBHHVWPZ-MRVPVSSYSA-N 0 0 439.389 5.746 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)cc4C)c3n2)cc1 ZINC000000649121 555522142 /nfs/dbraw/zinc/52/21/42/555522142.db2.gz NQQBGIDFXNBLOZ-UHFFFAOYSA-N 0 0 426.398 5.042 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccccc4SC)c3n2)cc1 ZINC000000649094 555522172 /nfs/dbraw/zinc/52/21/72/555522172.db2.gz CHGYTOHPHCORNC-UHFFFAOYSA-N 0 0 440.475 5.317 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC4CCCCCCC4)c3n2)cc1 ZINC000000649002 555522177 /nfs/dbraw/zinc/52/21/77/555522177.db2.gz AMEMOQDBILDKSV-UHFFFAOYSA-N 0 0 428.483 5.185 50 0 IKAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1Br ZINC000000649386 555522180 /nfs/dbraw/zinc/52/21/80/555522180.db2.gz OYZRTMRAQHZFLJ-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)n1-c1ccccc1 ZINC000000649473 555522432 /nfs/dbraw/zinc/52/24/32/555522432.db2.gz QHEOVGKFMJLFAM-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3n2)cc1 ZINC000000649556 555522475 /nfs/dbraw/zinc/52/24/75/555522475.db2.gz SWGKOTSHDVMUMQ-UHFFFAOYSA-N 0 0 442.853 5.557 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000000651176 555522951 /nfs/dbraw/zinc/52/29/51/555522951.db2.gz JSAXRULCPCFPTJ-UHFFFAOYSA-N 0 0 443.572 5.046 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000651567 555522955 /nfs/dbraw/zinc/52/29/55/555522955.db2.gz UBHSSSJPSHAUFA-UHFFFAOYSA-N 0 0 431.102 6.725 50 0 IKAARN CCOC(=O)c1ccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)cc1 ZINC000000651301 555522979 /nfs/dbraw/zinc/52/29/79/555522979.db2.gz NTHLHMSWTSQOGE-UHFFFAOYSA-N 0 0 426.563 5.781 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(F)cc2C)cc1COc1ccccc1Br ZINC000000651417 555522984 /nfs/dbraw/zinc/52/29/84/555522984.db2.gz JTMPKXFBEMWPFO-UHFFFAOYSA-N 0 0 444.300 5.737 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2OC)cc1 ZINC000000651861 555523189 /nfs/dbraw/zinc/52/31/89/555523189.db2.gz SGMAZDUURFNMBO-RFBIWTDZSA-N 0 0 442.471 5.103 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000000652566 555523464 /nfs/dbraw/zinc/52/34/64/555523464.db2.gz CDZHZTNTJQEQIR-UHFFFAOYSA-N 0 0 436.577 5.084 50 0 IKAARN CCn1cc([C@H](C)NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c(C)n1 ZINC000000652578 555523470 /nfs/dbraw/zinc/52/34/70/555523470.db2.gz VDJHGBCDQJGVRC-AWEZNQCLSA-N 0 0 432.351 5.588 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)C1 ZINC000000653896 555524132 /nfs/dbraw/zinc/52/41/32/555524132.db2.gz WOOSKXYHLHKKJA-SNVBAGLBSA-N 0 0 428.867 5.002 50 0 IKAARN Cc1ccc(C(=O)NC2CCC(CC3CCC(NC(=O)c4ccc(C)o4)CC3)CC2)o1 ZINC000000656459 555525123 /nfs/dbraw/zinc/52/51/23/555525123.db2.gz LHOQHXSJMDROGU-UHFFFAOYSA-N 0 0 426.557 5.157 50 0 IKAARN COc1ccc(C(F)(F)F)cc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000000660293 555526336 /nfs/dbraw/zinc/52/63/36/555526336.db2.gz FDXSHPYFHMBWJI-UHFFFAOYSA-N 0 0 449.479 5.887 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C ZINC000000659685 555526343 /nfs/dbraw/zinc/52/63/43/555526343.db2.gz KLGQWCJDDGEXOI-UHFFFAOYSA-N 0 0 436.577 5.654 50 0 IKAARN CCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)N[C@H](C)c3ccccc3)nc21 ZINC000000659424 555526359 /nfs/dbraw/zinc/52/63/59/555526359.db2.gz VRTVOYOXZRMDBM-OXQOHEQNSA-N 0 0 433.581 5.138 50 0 IKAARN Cc1cccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1C ZINC000000660551 555526368 /nfs/dbraw/zinc/52/63/68/555526368.db2.gz WCYNJBYSRYHNOE-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN CCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)N[C@@H](C)c3ccccc3)nc21 ZINC000000659418 555526382 /nfs/dbraw/zinc/52/63/82/555526382.db2.gz VRTVOYOXZRMDBM-JXFKEZNVSA-N 0 0 433.581 5.138 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N ZINC000000661411 555526780 /nfs/dbraw/zinc/52/67/80/555526780.db2.gz RDHRZSVJYWQPNQ-UHFFFAOYSA-N 0 0 437.908 5.488 50 0 IKAARN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000664161 555527591 /nfs/dbraw/zinc/52/75/91/555527591.db2.gz SISWSAIASVTTLD-UHFFFAOYSA-N 0 0 437.352 5.012 50 0 IKAARN CSc1ccc(NC(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)cc1 ZINC000000664481 555527619 /nfs/dbraw/zinc/52/76/19/555527619.db2.gz IWPREIKGWILNEC-UHFFFAOYSA-N 0 0 446.601 5.794 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000000664125 555527678 /nfs/dbraw/zinc/52/76/78/555527678.db2.gz JAWFIQFNKWCYNW-UHFFFAOYSA-N 0 0 435.380 5.639 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCC(C)C)c3ccccc32)NC(=S)N1 ZINC000000666667 555528585 /nfs/dbraw/zinc/52/85/85/555528585.db2.gz GARRIDINMJZYFM-XMMPIXPASA-N 0 0 445.588 5.306 50 0 IKAARN Cc1cc(-c2ccc(NC(=O)c3cccs3)c(C)c2)ccc1NC(=O)c1cccs1 ZINC000000668136 555529595 /nfs/dbraw/zinc/52/95/95/555529595.db2.gz BVZRJRKWOQPGII-UHFFFAOYSA-N 0 0 432.570 6.598 50 0 IKAARN CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000667745 555529608 /nfs/dbraw/zinc/52/96/08/555529608.db2.gz CAYJPTWLGDCBTL-UHFFFAOYSA-N 0 0 445.496 5.726 50 0 IKAARN CC1(C)C[C@@H](NC(=O)CCc2ccccc2)C[C@](C)(CNC(=O)CCc2ccccc2)C1 ZINC000000668762 555529900 /nfs/dbraw/zinc/52/99/00/555529900.db2.gz HMRSMELJZQSKEX-YWEHKCAJSA-N 0 0 434.624 5.069 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1-c1ccc(F)cc1 ZINC000000668798 555529919 /nfs/dbraw/zinc/52/99/19/555529919.db2.gz MWPGCBBUGJCERY-UHFFFAOYSA-N 0 0 438.274 5.257 50 0 IKAARN Cc1sc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(=O)OC(C)C)c1C ZINC000000668874 555529930 /nfs/dbraw/zinc/52/99/30/555529930.db2.gz FQGDLGHYRIHTBG-UHFFFAOYSA-N 0 0 431.485 5.494 50 0 IKAARN COC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc(C)c1-c1cccc(Cl)c1 ZINC000000669124 555530250 /nfs/dbraw/zinc/53/02/50/555530250.db2.gz CGIAOOWYBSEDAK-UHFFFAOYSA-N 0 0 445.924 5.433 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1I ZINC000000670808 555530973 /nfs/dbraw/zinc/53/09/73/555530973.db2.gz QZRAPZRFCUHTNE-UHFFFAOYSA-N 0 0 445.256 5.344 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)c2C(N)=O)C1 ZINC000000670847 555531027 /nfs/dbraw/zinc/53/10/27/555531027.db2.gz FFLVLJASOKJUSP-CQSZACIVSA-N 0 0 445.544 5.422 50 0 IKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(-c3cc(Cl)ccc3C)o1)Nc1ccccc1-2 ZINC000000670830 555531032 /nfs/dbraw/zinc/53/10/32/555531032.db2.gz FXDHQCLSKGXAJF-FQEVSTJZSA-N 0 0 436.924 5.985 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000671394 555531270 /nfs/dbraw/zinc/53/12/70/555531270.db2.gz GMNWNSBQXGWFMW-CQSZACIVSA-N 0 0 429.303 5.652 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000671911 555531595 /nfs/dbraw/zinc/53/15/95/555531595.db2.gz CBYPGKHQGWIAAD-HNNXBMFYSA-N 0 0 445.581 5.345 50 0 IKAARN O=C(c1cc(-c2cccc(Br)c2)nc2ccccc21)N1CCc2ccccc21 ZINC000000671752 555531617 /nfs/dbraw/zinc/53/16/17/555531617.db2.gz QODBKTVNWAACFW-UHFFFAOYSA-N 0 0 429.317 5.867 50 0 IKAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000000672657 555531853 /nfs/dbraw/zinc/53/18/53/555531853.db2.gz TVLMWAQANWAHRG-UHFFFAOYSA-N 0 0 438.549 5.046 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2)c(Br)c1 ZINC000000673700 555532144 /nfs/dbraw/zinc/53/21/44/555532144.db2.gz OCFRLBOYLQZKFV-UHFFFAOYSA-N 0 0 433.527 5.191 50 0 IKAARN COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000672993 555532190 /nfs/dbraw/zinc/53/21/90/555532190.db2.gz ZPNXPTRHVPSHEX-UHFFFAOYSA-N 0 0 431.469 5.336 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(CC)cc3)nc3ccccc32)nc1C ZINC000000672838 555532232 /nfs/dbraw/zinc/53/22/32/555532232.db2.gz HXBKAVQJAKHPIF-UHFFFAOYSA-N 0 0 445.544 5.658 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000673991 555532746 /nfs/dbraw/zinc/53/27/46/555532746.db2.gz AAQBEMQPWKWIDS-IUODEOHRSA-N 0 0 426.851 5.511 50 0 IKAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000000674154 555532791 /nfs/dbraw/zinc/53/27/91/555532791.db2.gz ADKQNLOAZUWWLO-UHFFFAOYSA-N 0 0 449.359 5.663 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000673992 555532819 /nfs/dbraw/zinc/53/28/19/555532819.db2.gz AAQBEMQPWKWIDS-SWLSCSKDSA-N 0 0 426.851 5.511 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000674326 555533059 /nfs/dbraw/zinc/53/30/59/555533059.db2.gz WXAOCTBZBNFPPE-MLGOLLRUSA-N 0 0 440.809 5.051 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000674325 555533117 /nfs/dbraw/zinc/53/31/17/555533117.db2.gz WXAOCTBZBNFPPE-BLLLJJGKSA-N 0 0 440.809 5.051 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000674639 555533473 /nfs/dbraw/zinc/53/34/73/555533473.db2.gz LWPFUEWWXPFBDL-UKRRQHHQSA-N 0 0 428.386 5.135 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000674474 555533482 /nfs/dbraw/zinc/53/34/82/555533482.db2.gz PJFFOEULVILAMR-UHFFFAOYSA-N 0 0 448.158 6.441 50 0 IKAARN CC(C)CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674722 555533684 /nfs/dbraw/zinc/53/36/84/555533684.db2.gz LDTIVVFEFFISDE-ZFWWWQNUSA-N 0 0 435.277 5.236 50 0 IKAARN O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000674974 555534003 /nfs/dbraw/zinc/53/40/03/555534003.db2.gz BUTQXSFMIXYRCH-MWLCHTKSSA-N 0 0 446.216 5.091 50 0 IKAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000000675740 555534709 /nfs/dbraw/zinc/53/47/09/555534709.db2.gz SLBKHXVFFDZUIS-WSCWJOSJSA-N 0 0 434.536 5.015 50 0 IKAARN COc1cc(NC(=O)COc2ccc(C)cc2C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000000678001 555535650 /nfs/dbraw/zinc/53/56/50/555535650.db2.gz DHHSJWJTXVJVNS-UHFFFAOYSA-N 0 0 444.487 5.328 50 0 IKAARN COc1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000000678000 555535744 /nfs/dbraw/zinc/53/57/44/555535744.db2.gz HZGZNMUWQJICFP-UHFFFAOYSA-N 0 0 444.487 5.328 50 0 IKAARN Cc1ccc(OCC(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)c(C)c1 ZINC000000678389 555536012 /nfs/dbraw/zinc/53/60/12/555536012.db2.gz BLBNYAYXAHNJOK-UHFFFAOYSA-N 0 0 445.544 5.312 50 0 IKAARN CCC(=O)Nc1ccc2nc(S[C@H](CC)C(=O)Nc3ccc(C(C)=O)cc3)sc2c1 ZINC000000679234 555536545 /nfs/dbraw/zinc/53/65/45/555536545.db2.gz XAKOTLQTFDUJRP-GOSISDBHSA-N 0 0 441.578 5.357 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000000679124 555536592 /nfs/dbraw/zinc/53/65/92/555536592.db2.gz SPLZTFXZKUSXJP-UHFFFAOYSA-N 0 0 435.471 5.784 50 0 IKAARN Cc1nc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1Br ZINC000000679557 555536860 /nfs/dbraw/zinc/53/68/60/555536860.db2.gz XQWIEWQNJIRPPM-UHFFFAOYSA-N 0 0 434.746 5.086 50 0 IKAARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Br)o1 ZINC000000679715 555536871 /nfs/dbraw/zinc/53/68/71/555536871.db2.gz AVMPZTZLFRSXAD-UHFFFAOYSA-N 0 0 433.714 6.225 50 0 IKAARN O=C(/C=C/c1c(F)cccc1Cl)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000680019 555537134 /nfs/dbraw/zinc/53/71/34/555537134.db2.gz VDEXLRJRGGXQIF-CCEZHUSRSA-N 0 0 431.898 5.661 50 0 IKAARN CCC(=O)Nc1ccc2nc(SCC(=O)n3c4ccccc4c4c3CCCC4)sc2c1 ZINC000000680592 555537489 /nfs/dbraw/zinc/53/74/89/555537489.db2.gz SPJRBRHYEYATOX-UHFFFAOYSA-N 0 0 449.601 5.911 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000000682096 555537738 /nfs/dbraw/zinc/53/77/38/555537738.db2.gz ULPSWGZHRLFIPL-UHFFFAOYSA-N 0 0 438.336 5.249 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 ZINC000000682101 555538052 /nfs/dbraw/zinc/53/80/52/555538052.db2.gz SBMJFMRMLCJWIZ-UHFFFAOYSA-N 0 0 438.336 5.249 50 0 IKAARN Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1C ZINC000000682526 555538202 /nfs/dbraw/zinc/53/82/02/555538202.db2.gz VCSSSCRVNILVPP-LBPRGKRZSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000000682933 555538204 /nfs/dbraw/zinc/53/82/04/555538204.db2.gz GLUJEDCAZQVVOG-GFCCVEGCSA-N 0 0 427.136 5.234 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000683125 555538508 /nfs/dbraw/zinc/53/85/08/555538508.db2.gz PCWZPFHNDZKNPD-GFCCVEGCSA-N 0 0 427.136 5.234 50 0 IKAARN CSc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000683123 555538550 /nfs/dbraw/zinc/53/85/50/555538550.db2.gz CPOSATSHRQAVFC-JTQLQIEISA-N 0 0 445.176 5.340 50 0 IKAARN Cc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)n1 ZINC000000683753 555539021 /nfs/dbraw/zinc/53/90/21/555539021.db2.gz WKEMMTMKQRJDEO-NRFANRHFSA-N 0 0 431.496 5.177 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc2ccccc2c1 ZINC000000684310 555539165 /nfs/dbraw/zinc/53/91/65/555539165.db2.gz MQPVHORFSUARKG-HSZRJFAPSA-N 0 0 428.517 5.248 50 0 IKAARN COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)ccc1OCc1ccccc1 ZINC000000684407 555539261 /nfs/dbraw/zinc/53/92/61/555539261.db2.gz SHKNYOUQAKUGJB-ODLFYWEKSA-N 0 0 436.305 5.529 50 0 IKAARN COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 ZINC000000685896 555539777 /nfs/dbraw/zinc/53/97/77/555539777.db2.gz NIERVNLDQDRWRR-UHFFFAOYSA-N 0 0 425.506 5.088 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3C)o2)c1 ZINC000000687458 555540738 /nfs/dbraw/zinc/54/07/38/555540738.db2.gz MHVKGQQZLHEFSX-UHFFFAOYSA-N 0 0 432.343 5.155 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(Br)c1)CCCCCC3 ZINC000000691608 555541665 /nfs/dbraw/zinc/54/16/65/555541665.db2.gz YTILZMHPXCGULM-UHFFFAOYSA-N 0 0 430.371 5.552 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)s1 ZINC000000689303 555541668 /nfs/dbraw/zinc/54/16/68/555541668.db2.gz ALEUFDCAMILOPT-UHFFFAOYSA-N 0 0 445.544 6.787 50 0 IKAARN COc1ccc(-c2cc(C(=O)n3nc(C)cc3C)c3cc(Br)ccc3n2)cc1 ZINC000000689238 555541678 /nfs/dbraw/zinc/54/16/78/555541678.db2.gz FYTXTPVKYXNMKS-UHFFFAOYSA-N 0 0 436.309 5.175 50 0 IKAARN COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(OC)cc3)c2)cc1 ZINC000000695680 555542582 /nfs/dbraw/zinc/54/25/82/555542582.db2.gz PMESDYPFGBSGFE-OTYYAQKOSA-N 0 0 428.488 5.008 50 0 IKAARN COCc1cc(C)nc2sc(C(=O)Nc3ccc(Br)c(Cl)c3)c(N)c21 ZINC000000694204 555542617 /nfs/dbraw/zinc/54/26/17/555542617.db2.gz XMPZBRNNEKHTJB-UHFFFAOYSA-N 0 0 440.750 5.002 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000000702346 555542812 /nfs/dbraw/zinc/54/28/12/555542812.db2.gz KEQRVKWVVMFUJU-GXFFZTMASA-N 0 0 432.373 5.499 50 0 IKAARN COc1ccc([C@@H](Nc2ccccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000000703724 555543916 /nfs/dbraw/zinc/54/39/16/555543916.db2.gz GZIJERBGZJUSKF-JOCHJYFZSA-N 0 0 433.533 5.815 50 0 IKAARN O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000704598 555544339 /nfs/dbraw/zinc/54/43/39/555544339.db2.gz FRUNVFGFHOEDNL-UHFFFAOYSA-N 0 0 428.669 5.695 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)c1cc2ccccc2cc1O ZINC000000704446 555544391 /nfs/dbraw/zinc/54/43/91/555544391.db2.gz FKTXRSIHTOXMOZ-UHFFFAOYSA-N 0 0 446.890 5.712 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1cccs1 ZINC000000706319 555544738 /nfs/dbraw/zinc/54/47/38/555544738.db2.gz RHTAQBOMRCARBI-UHFFFAOYSA-N 0 0 448.953 5.453 50 0 IKAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cccc(C)c1 ZINC000000710964 555547107 /nfs/dbraw/zinc/54/71/07/555547107.db2.gz PUOXXQZECKPDTM-UHFFFAOYSA-N 0 0 429.303 5.815 50 0 IKAARN Cc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)c(C)c1 ZINC000000711289 555547522 /nfs/dbraw/zinc/54/75/22/555547522.db2.gz SWWRUXLEORJKAU-UHFFFAOYSA-N 0 0 432.492 6.474 50 0 IKAARN O=CN(c1ccccc1)c1cc(N(C=O)c2ccccc2)cc(N(C=O)c2ccccc2)c1 ZINC000000712557 555547666 /nfs/dbraw/zinc/54/76/66/555547666.db2.gz IWHRDKIYFJWXOK-UHFFFAOYSA-N 0 0 435.483 5.570 50 0 IKAARN Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1C ZINC000000712706 555547694 /nfs/dbraw/zinc/54/76/94/555547694.db2.gz ADNFQLSOFRCMDG-UHFFFAOYSA-N 0 0 427.595 5.345 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)cc1 ZINC000000713018 555547733 /nfs/dbraw/zinc/54/77/33/555547733.db2.gz LBNHANMHNYISOF-INIZCTEOSA-N 0 0 438.911 5.397 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NCc4ccccc4)sc3c2)cc1 ZINC000000713116 555547767 /nfs/dbraw/zinc/54/77/67/555547767.db2.gz RZLIYXYWBZPXDL-UHFFFAOYSA-N 0 0 447.585 5.266 50 0 IKAARN O=C1CS[C@@H](c2ccccc2)N1c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 ZINC000000713644 555548097 /nfs/dbraw/zinc/54/80/97/555548097.db2.gz KPUHMRRRHRPGQM-ZEQRLZLVSA-N 0 0 432.570 5.244 50 0 IKAARN COc1ccc([C@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000000717902 555549081 /nfs/dbraw/zinc/54/90/81/555549081.db2.gz RXLSTMKJZAXMHX-BJKOFHAPSA-N 0 0 437.923 5.510 50 0 IKAARN O=C1CS[C@H](c2ccc3c(c2)OCO3)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000000718909 555549323 /nfs/dbraw/zinc/54/93/23/555549323.db2.gz MLEOHXUMJITUDX-XMMPIXPASA-N 0 0 441.512 5.043 50 0 IKAARN Cc1ccc(F)cc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000000720076 555549706 /nfs/dbraw/zinc/54/97/06/555549706.db2.gz GBMYVNFBDOPCSY-UHFFFAOYSA-N 0 0 436.846 5.446 50 0 IKAARN Cc1ccccc1O[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000720509 555549720 /nfs/dbraw/zinc/54/97/20/555549720.db2.gz QWWVMSACURUBBB-FCHUYYIVSA-N 0 0 441.405 5.278 50 0 IKAARN Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000720531 555549878 /nfs/dbraw/zinc/54/98/78/555549878.db2.gz FXVNSTZPSHWZMB-VXKWHMMOSA-N 0 0 425.843 5.052 50 0 IKAARN Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000720707 555549899 /nfs/dbraw/zinc/54/98/99/555549899.db2.gz JLVOTLFWEAVBET-YADHBBJMSA-N 0 0 442.298 5.566 50 0 IKAARN COc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720738 555549912 /nfs/dbraw/zinc/54/99/12/555549912.db2.gz XZJATTBGOKZMLP-FCHUYYIVSA-N 0 0 427.859 5.032 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000720532 555550012 /nfs/dbraw/zinc/55/00/12/555550012.db2.gz FXVNSTZPSHWZMB-FCHUYYIVSA-N 0 0 425.843 5.052 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Br ZINC000000722606 555550430 /nfs/dbraw/zinc/55/04/30/555550430.db2.gz JVDZDJBUUIWAMS-UHFFFAOYSA-N 0 0 449.688 5.209 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)oc3c2)cc1Cl ZINC000000722845 555550476 /nfs/dbraw/zinc/55/04/76/555550476.db2.gz VQSXALGTGYKMIG-UHFFFAOYSA-N 0 0 431.250 6.202 50 0 IKAARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000000722616 555550513 /nfs/dbraw/zinc/55/05/13/555550513.db2.gz WNXRVZSOSDJXCV-UHFFFAOYSA-N 0 0 444.878 5.595 50 0 IKAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000000724997 555551351 /nfs/dbraw/zinc/55/13/51/555551351.db2.gz FDRMASGUYQIMFK-UHFFFAOYSA-N 0 0 441.984 5.112 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(I)c1 ZINC000000725378 555551400 /nfs/dbraw/zinc/55/14/00/555551400.db2.gz GDCVTBJSAYVXFC-UHFFFAOYSA-N 0 0 440.240 5.352 50 0 IKAARN COc1ccc(-n2sc3c(c2=S)-c2cc(Br)ccc2NC3(C)C)cc1 ZINC000000727758 555551901 /nfs/dbraw/zinc/55/19/01/555551901.db2.gz NLOVHGKWWGCOCW-UHFFFAOYSA-N 0 0 433.396 6.367 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000728185 555551926 /nfs/dbraw/zinc/55/19/26/555551926.db2.gz KSCQJOIIEBQEJI-UHFFFAOYSA-N 0 0 440.890 5.675 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000728334 555551933 /nfs/dbraw/zinc/55/19/33/555551933.db2.gz AEYAHIBCLIJOGR-LQDNNDEMSA-N 0 0 444.328 5.020 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000000744057 555553222 /nfs/dbraw/zinc/55/32/22/555553222.db2.gz NECGYTKNLFTUIN-UHFFFAOYSA-N 0 0 438.915 5.458 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000000786806 555556351 /nfs/dbraw/zinc/55/63/51/555556351.db2.gz YKFRAZHSIWPNJM-UHFFFAOYSA-N 0 0 447.539 5.058 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)cc1 ZINC000000787558 555556722 /nfs/dbraw/zinc/55/67/22/555556722.db2.gz XLTROKBPZSFZIH-UHFFFAOYSA-N 0 0 445.302 5.515 50 0 IKAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccccc1 ZINC000000794456 555557737 /nfs/dbraw/zinc/55/77/37/555557737.db2.gz BFYQKYUCINVHJM-UHFFFAOYSA-N 0 0 432.520 5.308 50 0 IKAARN CSc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000000798563 555558602 /nfs/dbraw/zinc/55/86/02/555558602.db2.gz VHHXKDHFCYJFJA-UHFFFAOYSA-N 0 0 430.573 5.566 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000000812047 555560813 /nfs/dbraw/zinc/56/08/13/555560813.db2.gz YBYANPORPUGVJT-UHFFFAOYSA-N 0 0 426.881 5.661 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000000812072 555560874 /nfs/dbraw/zinc/56/08/74/555560874.db2.gz YJIYUBFFSSNFLC-UHFFFAOYSA-N 0 0 435.263 5.108 50 0 IKAARN Nc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1 ZINC000000820481 555563521 /nfs/dbraw/zinc/56/35/21/555563521.db2.gz WCXGOVYROJJXHA-UHFFFAOYSA-N 0 0 432.501 5.268 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1CNc1ccc(Cl)c(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000000820909 555563536 /nfs/dbraw/zinc/56/35/36/555563536.db2.gz UUCPGQGQBLTFRC-BBITVKMKSA-N 0 0 449.337 5.255 50 0 IKAARN CSc1ccccc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827031 555565502 /nfs/dbraw/zinc/56/55/02/555565502.db2.gz XBMMIQUHJJRCGQ-UHFFFAOYSA-N 0 0 434.468 5.451 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000000827472 555565650 /nfs/dbraw/zinc/56/56/50/555565650.db2.gz ZYMHEFISOABXQZ-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN CSc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3SC)nc21 ZINC000010528687 555566027 /nfs/dbraw/zinc/56/60/27/555566027.db2.gz GZURGFALPXAKPT-UHFFFAOYSA-N 0 0 437.615 5.982 50 0 IKAARN COc1cc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc(OC)c1OC ZINC000000830210 555566324 /nfs/dbraw/zinc/56/63/24/555566324.db2.gz DKOROSBUIUAWPY-UHFFFAOYSA-N 0 0 446.503 5.698 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1I ZINC000000834172 555566589 /nfs/dbraw/zinc/56/65/89/555566589.db2.gz DANYXGOWUGQHMY-UHFFFAOYSA-N 0 0 429.257 5.123 50 0 IKAARN O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2ccccc2)cc1 ZINC000000836544 555567411 /nfs/dbraw/zinc/56/74/11/555567411.db2.gz YIZGMCZHZKXONQ-UHFFFAOYSA-N 0 0 435.479 5.646 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1cc2ccccc2o1 ZINC000000839028 555567550 /nfs/dbraw/zinc/56/75/50/555567550.db2.gz ULUPJGNSYNXYAC-UHFFFAOYSA-N 0 0 435.277 5.700 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl ZINC000000841474 555568100 /nfs/dbraw/zinc/56/81/00/555568100.db2.gz OMRXYTPPBXSTJZ-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl ZINC000000841463 555568116 /nfs/dbraw/zinc/56/81/16/555568116.db2.gz BMGRKTJYEPPZHJ-UHFFFAOYSA-N 0 0 427.689 5.089 50 0 IKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cc(Br)ccc1Cl ZINC000000841449 555568159 /nfs/dbraw/zinc/56/81/59/555568159.db2.gz IFQQCJOCEGMVKH-UHFFFAOYSA-N 0 0 428.673 5.558 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccco1 ZINC000000841575 555568194 /nfs/dbraw/zinc/56/81/94/555568194.db2.gz DVKDFGIGUYZRBA-UHFFFAOYSA-N 0 0 433.261 6.256 50 0 IKAARN Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 ZINC000000843541 555568411 /nfs/dbraw/zinc/56/84/11/555568411.db2.gz QIPZVDQHCSKCMN-XZOQPEGZSA-N 0 0 430.870 5.283 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000000848364 555570162 /nfs/dbraw/zinc/57/01/62/555570162.db2.gz XLTPYJHLRARKEV-UHFFFAOYSA-N 0 0 426.847 5.424 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(Br)cc1 ZINC000000849956 555570457 /nfs/dbraw/zinc/57/04/57/555570457.db2.gz AEXBCCVXODNTFS-UHFFFAOYSA-N 0 0 446.300 5.704 50 0 IKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Oc3ccccc3)c1)C1c3ccccc3C2c2ccccc21 ZINC000000853058 555570732 /nfs/dbraw/zinc/57/07/32/555570732.db2.gz FATARFJJBKFUSF-PAIGMYNKSA-N 0 0 443.502 5.876 50 0 IKAARN CCc1cccc(CC)c1N(COC)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000000857496 555571703 /nfs/dbraw/zinc/57/17/03/555571703.db2.gz MBIOZDGTZSMNQD-UHFFFAOYSA-N 0 0 441.575 5.389 50 0 IKAARN O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000000861583 555572650 /nfs/dbraw/zinc/57/26/50/555572650.db2.gz VGFQRKMUAFXQHY-UHFFFAOYSA-N 0 0 444.343 5.373 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000865665 555573499 /nfs/dbraw/zinc/57/34/99/555573499.db2.gz SRBPZOCFAMXIDZ-AEFFLSMTSA-N 0 0 434.849 5.127 50 0 IKAARN C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)c1ccccc1 ZINC000000865690 555573571 /nfs/dbraw/zinc/57/35/71/555573571.db2.gz BJGAFGXADZUOAB-XKQJLSEDSA-N 0 0 448.876 5.688 50 0 IKAARN O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865641 555573588 /nfs/dbraw/zinc/57/35/88/555573588.db2.gz UGXGJUPKAZSTFM-GJZGRUSLSA-N 0 0 426.870 5.259 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865993 555573840 /nfs/dbraw/zinc/57/38/40/555573840.db2.gz KYXZGKZXZOKMIX-RTWAWAEBSA-N 0 0 436.437 5.949 50 0 IKAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCCC1 ZINC000000866828 555573988 /nfs/dbraw/zinc/57/39/88/555573988.db2.gz XWUVHEDWUZMMRZ-GDBMZVCRSA-N 0 0 447.288 5.476 50 0 IKAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000866592 555574032 /nfs/dbraw/zinc/57/40/32/555574032.db2.gz SDBWUEJBNRXJRZ-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)nn(-c3ccccc3)c1Cl)CCCC2 ZINC000000867438 555574283 /nfs/dbraw/zinc/57/42/83/555574283.db2.gz VLNIKSLHVWIKKV-UHFFFAOYSA-N 0 0 443.956 5.203 50 0 IKAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2)N1CCCC1 ZINC000000866841 555574302 /nfs/dbraw/zinc/57/43/02/555574302.db2.gz YWHZTUSPIXUJAW-DZGCQCFKSA-N 0 0 433.261 5.086 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000000871696 555575681 /nfs/dbraw/zinc/57/56/81/555575681.db2.gz ODTNWLKARKJDBK-QHCPKHFHSA-N 0 0 427.504 5.123 50 0 IKAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1ccc(C)cc1 ZINC000000872581 555575698 /nfs/dbraw/zinc/57/56/98/555575698.db2.gz YNAZBWCQSHSDHC-UHFFFAOYSA-N 0 0 440.878 5.287 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl)c1ccco1 ZINC000000873294 555576183 /nfs/dbraw/zinc/57/61/83/555576183.db2.gz LNWNCPRCYKMWSG-UHFFFAOYSA-N 0 0 431.300 6.306 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 ZINC000000882048 555577664 /nfs/dbraw/zinc/57/76/64/555577664.db2.gz BWVHEJRIYQTXKI-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 ZINC000000882039 555577676 /nfs/dbraw/zinc/57/76/76/555577676.db2.gz BDHAJQTUWPYWHI-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cccc(Cl)c1 ZINC000000884911 555578816 /nfs/dbraw/zinc/57/88/16/555578816.db2.gz RWLJBSOGZVAYGZ-UHFFFAOYSA-N 0 0 449.885 5.645 50 0 IKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1Br ZINC000000885918 555578922 /nfs/dbraw/zinc/57/89/22/555578922.db2.gz JQQDUAPQWCURBJ-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN C[C@H](NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)c1ccccc1 ZINC000000885355 555578933 /nfs/dbraw/zinc/57/89/33/555578933.db2.gz IVWSKJSGLUWAKD-AWEZNQCLSA-N 0 0 443.494 5.231 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000888120 555579316 /nfs/dbraw/zinc/57/93/16/555579316.db2.gz VGAGZTFTAQWTQV-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000000890822 555579804 /nfs/dbraw/zinc/57/98/04/555579804.db2.gz HKYSASGQCBUYAO-CHWSQXEVSA-N 0 0 427.467 5.183 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000000890700 555579816 /nfs/dbraw/zinc/57/98/16/555579816.db2.gz GNQGDNUEYCQBKH-AWEZNQCLSA-N 0 0 447.482 5.141 50 0 IKAARN Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000000898749 555580611 /nfs/dbraw/zinc/58/06/11/555580611.db2.gz HSWGBCVTJXWHFO-LJQANCHMSA-N 0 0 444.560 5.274 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NC1CCCCCCC1 ZINC000000901621 555581331 /nfs/dbraw/zinc/58/13/31/555581331.db2.gz WTHSFEBLSNJDBA-UHFFFAOYSA-N 0 0 429.533 5.545 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(F)ccc1F ZINC000000901240 555581392 /nfs/dbraw/zinc/58/13/92/555581392.db2.gz UAXSDBPPVDBFEY-NSHDSACASA-N 0 0 439.409 5.560 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000902059 555581644 /nfs/dbraw/zinc/58/16/44/555581644.db2.gz SYVLZTITHNBSHY-UHFFFAOYSA-N 0 0 427.835 5.448 50 0 IKAARN Cc1cc(F)ccc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000917982 555583734 /nfs/dbraw/zinc/58/37/34/555583734.db2.gz FKISPIWTBRSPPD-UHFFFAOYSA-N 0 0 425.407 5.324 50 0 IKAARN CC(=O)c1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000000918019 555584078 /nfs/dbraw/zinc/58/40/78/555584078.db2.gz VZRFSOCVTDNWAZ-UHFFFAOYSA-N 0 0 435.427 5.079 50 0 IKAARN COc1ccc(N[C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000000921736 555584699 /nfs/dbraw/zinc/58/46/99/555584699.db2.gz KBTDSMFTEQFISH-DQEYMECFSA-N 0 0 430.529 5.035 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1Cl ZINC000009664946 555585620 /nfs/dbraw/zinc/58/56/20/555585620.db2.gz SDAJQRSRJBXRBO-UHFFFAOYSA-N 0 0 428.315 5.616 50 0 IKAARN CC(=O)Nc1sc(-c2nc(-c3ccccc3)c(NC(C)=O)s2)nc1-c1ccccc1 ZINC000000936615 555585988 /nfs/dbraw/zinc/58/59/88/555585988.db2.gz PGVFOLWLWIOLCX-UHFFFAOYSA-N 0 0 434.546 5.517 50 0 IKAARN CCC(C)(C)c1ccc(OC[C@@H](O)Cn2c(CO)nc3ccccc32)c(C(C)(C)CC)c1 ZINC000000938380 555586198 /nfs/dbraw/zinc/58/61/98/555586198.db2.gz HZTIHNISDNNIQF-FQEVSTJZSA-N 0 0 438.612 5.344 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000000937756 555586242 /nfs/dbraw/zinc/58/62/42/555586242.db2.gz CZEIQYUOSGRWGO-HXUWFJFHSA-N 0 0 430.548 5.833 50 0 IKAARN Cn1c(SCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnc1-c1cccs1 ZINC000000938829 555586508 /nfs/dbraw/zinc/58/65/08/555586508.db2.gz YEFVTLFNFIIKEP-UHFFFAOYSA-N 0 0 443.638 5.819 50 0 IKAARN COc1cc(C=CC(=O)Nc2cccc(C(C)=O)c2)ccc1OCc1ccc(Cl)cc1 ZINC000000942441 555587349 /nfs/dbraw/zinc/58/73/49/555587349.db2.gz ZLLSFVKPONYAEU-UKTHLTGXSA-N 0 0 435.907 5.782 50 0 IKAARN Cc1cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl ZINC000000943894 555587594 /nfs/dbraw/zinc/58/75/94/555587594.db2.gz ZRBQPCLSYORFQR-UHFFFAOYSA-N 0 0 437.746 5.552 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2nnc(C(C)C)s2)ccc1OCc1ccc(Cl)cc1 ZINC000000943881 555587606 /nfs/dbraw/zinc/58/76/06/555587606.db2.gz ODXAQJJEOLDRRK-YRNVUSSQSA-N 0 0 443.956 5.554 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1C)c1ccccc21 ZINC000000944083 555587625 /nfs/dbraw/zinc/58/76/25/555587625.db2.gz FIXMLSJXUQWBBA-UHFFFAOYSA-N 0 0 437.517 5.489 50 0 IKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2oc1-c1ccccc1 ZINC000000944115 555587636 /nfs/dbraw/zinc/58/76/36/555587636.db2.gz MKBTVTFYTPRUQW-UHFFFAOYSA-N 0 0 435.501 5.386 50 0 aggregator IKAARN CCOc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1 ZINC000000946549 555588252 /nfs/dbraw/zinc/58/82/52/555588252.db2.gz GBEQEPZTLYXTHP-UHFFFAOYSA-N 0 0 429.188 5.765 50 0 IKAARN O=C(COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)OCc1ccccc1 ZINC000000950744 555588748 /nfs/dbraw/zinc/58/87/48/555588748.db2.gz XIWJEAARMFOASU-UHFFFAOYSA-N 0 0 436.847 5.361 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 ZINC000000951158 555589113 /nfs/dbraw/zinc/58/91/13/555589113.db2.gz AUIHXTVCLXKOES-UHFFFAOYSA-N 0 0 439.496 5.171 50 0 IKAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccc(OC)c2)CCCC3)cc1 ZINC000000951694 555589337 /nfs/dbraw/zinc/58/93/37/555589337.db2.gz LYOYEYZYGIOFIE-UHFFFAOYSA-N 0 0 436.533 5.149 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OCC)c1OCC ZINC000000951837 555589346 /nfs/dbraw/zinc/58/93/46/555589346.db2.gz UYBIHAAYXCDDOC-UHFFFAOYSA-N 0 0 431.838 5.807 50 0 IKAARN CCc1ccccc1Oc1coc2cc(OCC(=O)Nc3ccc(C)cc3)ccc2c1=O ZINC000000952084 555589431 /nfs/dbraw/zinc/58/94/31/555589431.db2.gz UGXMBRVSIRAXNQ-UHFFFAOYSA-N 0 0 429.472 5.474 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000000955517 555590048 /nfs/dbraw/zinc/59/00/48/555590048.db2.gz CFIQAFJKJYZIOL-UHFFFAOYSA-N 0 0 442.437 5.592 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000000955499 555590099 /nfs/dbraw/zinc/59/00/99/555590099.db2.gz ZNTBNAZPIBUCQF-UHFFFAOYSA-N 0 0 445.302 5.272 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000956580 555590404 /nfs/dbraw/zinc/59/04/04/555590404.db2.gz YAGXBUMWLLJJJH-MRXNPFEDSA-N 0 0 437.609 5.468 50 0 IKAARN COC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1 ZINC000000968758 555591189 /nfs/dbraw/zinc/59/11/89/555591189.db2.gz KMEGCWHLXQRZEU-AWEZNQCLSA-N 0 0 446.330 5.268 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1Cl ZINC000000976125 555592325 /nfs/dbraw/zinc/59/23/25/555592325.db2.gz ISDHHKZXKYJNJA-UHFFFAOYSA-N 0 0 438.734 5.192 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCC[C@@H]4c4cccnc4)c3n2)cc1 ZINC000000978065 555592849 /nfs/dbraw/zinc/59/28/49/555592849.db2.gz DJZIRNQKTPTATA-OAQYLSRUSA-N 0 0 447.489 5.405 50 0 IKAARN Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)N1CCCCCC1 ZINC000000978113 555592865 /nfs/dbraw/zinc/59/28/65/555592865.db2.gz YRCWUMHRRJVNFB-UHFFFAOYSA-N 0 0 436.865 5.393 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc3nn(-c4cccc5ccccc54)nc3c2)c1 ZINC000000980500 555593247 /nfs/dbraw/zinc/59/32/47/555593247.db2.gz LJUYHJNSBVZPDR-UHFFFAOYSA-N 0 0 437.528 5.009 50 0 IKAARN Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1C ZINC000000982769 555593958 /nfs/dbraw/zinc/59/39/58/555593958.db2.gz KJGXEVCXVFEGOV-SANMLTNESA-N 0 0 430.573 5.372 50 0 aggregator IKAARN CCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000000982702 555593975 /nfs/dbraw/zinc/59/39/75/555593975.db2.gz WTZDKRPCDHKJQH-AREMUKBSSA-N 0 0 430.573 5.318 50 0 aggregator IKAARN COc1cccc(C(=O)c2c(-c3ccccc3)c(C(=O)Nc3ccccc3)c3ccccn32)c1 ZINC000000984156 555594252 /nfs/dbraw/zinc/59/42/52/555594252.db2.gz SDGIQQURUQBUJL-UHFFFAOYSA-N 0 0 446.506 6.098 50 0 IKAARN CC1=CC(C)(C)Nc2ccc(OCC(=O)N3c4ccccc4Sc4ccccc43)cc21 ZINC000000986339 555594876 /nfs/dbraw/zinc/59/48/76/555594876.db2.gz ARCYMJUTUSEOAN-UHFFFAOYSA-N 0 0 428.557 6.502 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)c3c(C)onc3-c3ccccc3Cl)s2)cc1 ZINC000000986269 555594896 /nfs/dbraw/zinc/59/48/96/555594896.db2.gz HVCVIPXNDQSZKK-UHFFFAOYSA-N 0 0 440.912 5.007 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=O)c4oc5ccccc5c4C)ccc3Cl)nc2c1 ZINC000000986780 555595093 /nfs/dbraw/zinc/59/50/93/555595093.db2.gz BYWREFXPDHPROC-UHFFFAOYSA-N 0 0 430.891 7.018 50 0 IKAARN O=C(c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)c1cccc(Br)c1 ZINC000000988044 555595358 /nfs/dbraw/zinc/59/53/58/555595358.db2.gz GRYFDAVIBGSOPE-UHFFFAOYSA-N 0 0 431.289 5.097 50 0 aggregator IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000000987637 555595374 /nfs/dbraw/zinc/59/53/74/555595374.db2.gz XIIKXNRWASFLAL-UHFFFAOYSA-N 0 0 444.727 5.095 50 0 IKAARN O=C(COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000000990477 555595872 /nfs/dbraw/zinc/59/58/72/555595872.db2.gz LPQAJOZNYWJJBN-UHFFFAOYSA-N 0 0 428.271 5.285 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3cc(C)ccc3C)c3ccccc3n2)cc1 ZINC000000990940 555596238 /nfs/dbraw/zinc/59/62/38/555596238.db2.gz LNDYAXLJQHSXPN-UHFFFAOYSA-N 0 0 425.484 5.567 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000000991677 555596574 /nfs/dbraw/zinc/59/65/74/555596574.db2.gz LRBWAHBMLFINCL-UHFFFAOYSA-N 0 0 446.890 5.241 50 0 IKAARN C[C@H](C(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000000991751 555596612 /nfs/dbraw/zinc/59/66/12/555596612.db2.gz RXTPLTYKRYCGMZ-QGZVFWFLSA-N 0 0 442.515 5.400 50 0 IKAARN O=C(OCC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccs1 ZINC000000992958 555597108 /nfs/dbraw/zinc/59/71/08/555597108.db2.gz NRCWTOQUXDXWDF-UHFFFAOYSA-N 0 0 435.284 5.314 50 0 IKAARN Cc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)NCc3ccco3)c2c1 ZINC000000993134 555597115 /nfs/dbraw/zinc/59/71/15/555597115.db2.gz KHQCPLUBPABIBH-UHFFFAOYSA-N 0 0 435.321 5.804 50 0 IKAARN Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1C ZINC000000992999 555597141 /nfs/dbraw/zinc/59/71/41/555597141.db2.gz NAZVWGSZDRQLQV-UHFFFAOYSA-N 0 0 438.321 5.580 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)c3cc(C)cc(C)c3n2)c1 ZINC000000993125 555597171 /nfs/dbraw/zinc/59/71/71/555597171.db2.gz FBBNBGFERPSOIL-UHFFFAOYSA-N 0 0 442.515 5.797 50 0 IKAARN Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3c(C)cc(Br)cc23)c1 ZINC000000993387 555597763 /nfs/dbraw/zinc/59/77/63/555597763.db2.gz YKISWXBVSZAAGA-UHFFFAOYSA-N 0 0 437.362 6.595 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)c1ccc(C)cc1 ZINC000000994401 555598034 /nfs/dbraw/zinc/59/80/34/555598034.db2.gz GPIFEHVQAGSHDC-UHFFFAOYSA-N 0 0 436.533 5.355 50 0 IKAARN COc1ccc(-c2cc(C(=O)NCCc3cccc(Cl)c3)c3ccccc3n2)cc1OC ZINC000000994618 555598100 /nfs/dbraw/zinc/59/81/00/555598100.db2.gz CUDIVEBTOWWSST-UHFFFAOYSA-N 0 0 446.934 5.545 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)o3)nc3ccccc31)CCCC2 ZINC000000995973 555598395 /nfs/dbraw/zinc/59/83/95/555598395.db2.gz OKORFSXBXYGCRQ-UHFFFAOYSA-N 0 0 446.528 5.782 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c(C(N)=O)c1C ZINC000000995898 555598399 /nfs/dbraw/zinc/59/83/99/555598399.db2.gz ZQVUZRLPMHNOFD-UHFFFAOYSA-N 0 0 435.936 5.585 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000000997320 555598934 /nfs/dbraw/zinc/59/89/34/555598934.db2.gz GHJZVEVFLCCPAX-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1 ZINC000000997100 555599027 /nfs/dbraw/zinc/59/90/27/555599027.db2.gz BZZLLRMIGJVOMY-UHFFFAOYSA-N 0 0 436.939 5.907 50 0 IKAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1ccccc1F ZINC000000997417 555599258 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425.113 5.253 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001003055 555600531 /nfs/dbraw/zinc/60/05/31/555600531.db2.gz WXKVVELOBNKOIB-UHFFFAOYSA-N 0 0 432.352 5.605 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000001005902 555601104 /nfs/dbraw/zinc/60/11/04/555601104.db2.gz QWNHRPWDVJJMDS-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 ZINC000001011673 555601973 /nfs/dbraw/zinc/60/19/73/555601973.db2.gz MKGLMANLNJUOLI-NDENLUEZSA-N 0 0 425.893 5.751 50 0 IKAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000009691059 555602522 /nfs/dbraw/zinc/60/25/22/555602522.db2.gz NYISKSBAHUMJJF-FOCLMDBBSA-N 0 0 426.516 5.369 50 0 IKAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000001019498 555603458 /nfs/dbraw/zinc/60/34/58/555603458.db2.gz VPHPCZJHDIRLCW-RTWAWAEBSA-N 0 0 425.912 5.020 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2O[C@@H]1c1ccc(Cl)c(Cl)c1 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COc1cccc(C(=O)c2sc3nsc(SCc4ccc(F)cc4)c3c2N)c1 ZINC000001036458 555608393 /nfs/dbraw/zinc/60/83/93/555608393.db2.gz ZWNGFXVKIUCDGJ-UHFFFAOYSA-N 0 0 430.551 5.611 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000001037578 555608760 /nfs/dbraw/zinc/60/87/60/555608760.db2.gz JGTGWOXOMIVFHI-UHFFFAOYSA-N 0 0 446.981 5.550 50 0 IKAARN Cn1nc(-c2ccc(-c3ccnc(SCc4ccccc4)n3)s2)cc1C(F)(F)F ZINC000001038685 555609046 /nfs/dbraw/zinc/60/90/46/555609046.db2.gz SQRJTYZSOMQGCD-UHFFFAOYSA-N 0 0 432.496 5.917 50 0 IKAARN CSc1sc(C(=O)N2CCOCC2)cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000001038211 555609083 /nfs/dbraw/zinc/60/90/83/555609083.db2.gz MVRQWDAJZXUKBF-UHFFFAOYSA-N 0 0 437.011 5.386 50 0 IKAARN Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000001038200 555609114 /nfs/dbraw/zinc/60/91/14/555609114.db2.gz HGMSIFPMRNSKFF-UHFFFAOYSA-N 0 0 434.365 5.830 50 0 IKAARN CC1(C)COC(c2sccc2C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)=N1 ZINC000001039700 555609390 /nfs/dbraw/zinc/60/93/90/555609390.db2.gz XQUAMBPTLJMQDX-UHFFFAOYSA-N 0 0 431.602 5.121 50 0 IKAARN COC(=O)c1ccc(Cl)cc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001040789 555609611 /nfs/dbraw/zinc/60/96/11/555609611.db2.gz HQULIAORMQTJED-UHFFFAOYSA-N 0 0 439.682 5.649 50 0 IKAARN O=C(CSc1ccc(Br)cc1)Nc1cccc(OC(F)(F)C(F)F)c1 ZINC000001040921 555609696 /nfs/dbraw/zinc/60/96/96/555609696.db2.gz MANPELSIIAQPDO-UHFFFAOYSA-N 0 0 438.240 5.417 50 0 IKAARN CC(C)(C)Oc1ccc(C[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000001044433 555610565 /nfs/dbraw/zinc/61/05/65/555610565.db2.gz OCTLGTZNAJNVHZ-FQEVSTJZSA-N 0 0 445.559 5.306 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000001044711 555610588 /nfs/dbraw/zinc/61/05/88/555610588.db2.gz GGMLKQMHAFAJGI-UHFFFAOYSA-N 0 0 444.503 5.315 50 0 IKAARN COc1ccc(NC(=O)c2cccc3c2-c2ccc(I)cc2C3)cc1 ZINC000001045355 555610851 /nfs/dbraw/zinc/61/08/51/555610851.db2.gz MYCZWCUCWIUWRU-UHFFFAOYSA-N 0 0 441.268 5.123 50 0 IKAARN c1sc(COc2ccc(C3SCCS3)cc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000001047006 555611203 /nfs/dbraw/zinc/61/12/03/555611203.db2.gz QNUKXCQRNIJCDC-UHFFFAOYSA-N 0 0 443.615 6.029 50 0 IKAARN Cc1cc(OCc2noc(CSc3ccc(C(F)(F)F)cn3)n2)cc(C)c1Cl ZINC000001047684 555611413 /nfs/dbraw/zinc/61/14/13/555611413.db2.gz DWKGVWDTPVIBCZ-UHFFFAOYSA-N 0 0 429.851 5.625 50 0 IKAARN CC(C)n1c2ccc(Cl)cc2nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001047595 555611542 /nfs/dbraw/zinc/61/15/42/555611542.db2.gz GCEMSVAPAVYOSL-UHFFFAOYSA-N 0 0 428.772 6.308 50 0 IKAARN Cn1c(SCc2ccccc2)nnc1-c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 ZINC000001047880 555611599 /nfs/dbraw/zinc/61/15/99/555611599.db2.gz LWPVZEWBCIGTPZ-UHFFFAOYSA-N 0 0 435.572 5.456 50 0 IKAARN O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001048857 555612050 /nfs/dbraw/zinc/61/20/50/555612050.db2.gz WTWJUZDCPDCLLM-UHFFFAOYSA-N 0 0 434.361 5.316 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1C ZINC000001049380 555612377 /nfs/dbraw/zinc/61/23/77/555612377.db2.gz SPUWLAQFJZAHBC-UHFFFAOYSA-N 0 0 428.941 5.318 50 0 IKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1nnc(SCc2cccc(C)c2)s1 ZINC000001049499 555612715 /nfs/dbraw/zinc/61/27/15/555612715.db2.gz LQLWVRDCJDTNJX-UHFFFAOYSA-N 0 0 443.981 6.408 50 0 IKAARN O=C1N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001052831 555613620 /nfs/dbraw/zinc/61/36/20/555613620.db2.gz SADWFIOQNIRAMF-FYJGNVAPSA-N 0 0 436.870 5.151 50 0 IKAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000001057212 555614820 /nfs/dbraw/zinc/61/48/20/555614820.db2.gz BYQKFARWXRLCFO-UHFFFAOYSA-N 0 0 434.517 5.375 50 0 IKAARN COc1ccc(NC2=C[C@@H](c3cccc4ccccc43)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001061505 555616441 /nfs/dbraw/zinc/61/64/41/555616441.db2.gz LXYJQHIAWSPLLQ-MHZLTWQESA-N 0 0 436.511 5.941 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1 ZINC000001064560 555617552 /nfs/dbraw/zinc/61/75/52/555617552.db2.gz IDRCNOQKIJPSHO-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)COc1ccc(Cl)cc1C ZINC000001065313 555617890 /nfs/dbraw/zinc/61/78/90/555617890.db2.gz DPNYOQMGWATPFG-UHFFFAOYSA-N 0 0 449.890 5.448 50 0 IKAARN CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000001065725 555618144 /nfs/dbraw/zinc/61/81/44/555618144.db2.gz CGPXELXVXVJTGW-UHFFFAOYSA-N 0 0 447.966 5.117 50 0 IKAARN COc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000001065993 555618445 /nfs/dbraw/zinc/61/84/45/555618445.db2.gz APEJSMLQSKCTHH-UHFFFAOYSA-N 0 0 443.499 5.610 50 0 IKAARN Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)cc1Br ZINC000001066845 555618712 /nfs/dbraw/zinc/61/87/12/555618712.db2.gz GMACNKCZTBZVMW-UHFFFAOYSA-N 0 0 436.655 5.756 50 0 IKAARN COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)c1cccs1 ZINC000001067020 555618982 /nfs/dbraw/zinc/61/89/82/555618982.db2.gz CMPLQPQOFCNACK-UHFFFAOYSA-N 0 0 442.540 5.780 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cc1OC ZINC000001068262 555619577 /nfs/dbraw/zinc/61/95/77/555619577.db2.gz WALAIHURYFBWJM-OAHLLOKOSA-N 0 0 447.922 5.458 50 0 IKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cc1OC ZINC000001068259 555619580 /nfs/dbraw/zinc/61/95/80/555619580.db2.gz WALAIHURYFBWJM-HNNXBMFYSA-N 0 0 447.922 5.458 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001068473 555619642 /nfs/dbraw/zinc/61/96/42/555619642.db2.gz RZYGTDVPYGANNK-UHFFFAOYSA-N 0 0 432.352 5.605 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000001068394 555619658 /nfs/dbraw/zinc/61/96/58/555619658.db2.gz WMMQQPYLAHSUCJ-UHFFFAOYSA-N 0 0 431.495 6.128 50 0 IKAARN Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)c2c1 ZINC000001068332 555619679 /nfs/dbraw/zinc/61/96/79/555619679.db2.gz UQLWTQBDVIGROW-UHFFFAOYSA-N 0 0 439.515 5.731 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000001069293 555619925 /nfs/dbraw/zinc/61/99/25/555619925.db2.gz UMFADFFTMVELDS-UHFFFAOYSA-N 0 0 432.545 6.113 50 0 IKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1Br ZINC000001069310 555620014 /nfs/dbraw/zinc/62/00/14/555620014.db2.gz MLHUPFSSCZUHCK-UHFFFAOYSA-N 0 0 428.673 5.558 50 0 IKAARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2nc3ccccc3n21 ZINC000001069411 555620255 /nfs/dbraw/zinc/62/02/55/555620255.db2.gz VAVTUCGHBGLNHF-RUZDIDTESA-N 0 0 438.531 5.589 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Br)cc3n2)cc1 ZINC000001070204 555620816 /nfs/dbraw/zinc/62/08/16/555620816.db2.gz XXIWHQXAOMCOEF-UHFFFAOYSA-N 0 0 435.325 5.306 50 0 IKAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1Cl ZINC000001072097 555621534 /nfs/dbraw/zinc/62/15/34/555621534.db2.gz HENCRCCNXZYWPN-NSHDSACASA-N 0 0 431.241 5.312 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)cc(-c3ccccn3)nc12 ZINC000001073351 555622547 /nfs/dbraw/zinc/62/25/47/555622547.db2.gz LYFXRTVFVNKDND-OAHLLOKOSA-N 0 0 445.906 5.478 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000001073550 555622615 /nfs/dbraw/zinc/62/26/15/555622615.db2.gz QLLLVPCWSSJZHV-UHFFFAOYSA-N 0 0 427.813 6.221 50 0 IKAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2c1 ZINC000001073747 555622959 /nfs/dbraw/zinc/62/29/59/555622959.db2.gz MVXQQJYIRNKUSV-UHFFFAOYSA-N 0 0 425.385 6.015 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3Cl)C2)cc1OC ZINC000001077193 555624653 /nfs/dbraw/zinc/62/46/53/555624653.db2.gz UYNXXBFINIYPOG-GOSISDBHSA-N 0 0 426.925 5.410 50 0 IKAARN Cc1ccc(NC(=S)NC2CCC(NC(=S)Nc3ccc(C)c(C)c3)CC2)cc1C ZINC000001080419 555625915 /nfs/dbraw/zinc/62/59/15/555625915.db2.gz MJEYKIVDJKJEEV-UHFFFAOYSA-N 0 0 440.682 5.504 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1cccc(C)c1 ZINC000001082711 555626202 /nfs/dbraw/zinc/62/62/02/555626202.db2.gz PCPWPECNHBYIPQ-UHFFFAOYSA-N 0 0 440.496 5.185 50 0 IKAARN CCc1c(C)sc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc32)c1C(N)=O ZINC000001084394 555626259 /nfs/dbraw/zinc/62/62/59/555626259.db2.gz JYVYPTNNVUAFIP-UHFFFAOYSA-N 0 0 435.574 5.555 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 ZINC000001088880 555627205 /nfs/dbraw/zinc/62/72/05/555627205.db2.gz QEUAOTZHYSKYOA-UHFFFAOYSA-N 0 0 436.540 5.766 50 0 IKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000001092495 555627606 /nfs/dbraw/zinc/62/76/06/555627606.db2.gz BAPOTDZZQQEVJN-QQNJPBSNSA-N 0 0 447.456 5.666 50 0 IKAARN COc1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc(OC)c1OC ZINC000001094742 555627821 /nfs/dbraw/zinc/62/78/21/555627821.db2.gz AOFSODMNPJGLOP-UHFFFAOYSA-N 0 0 436.291 5.209 50 0 IKAARN COC(=O)c1c2ccc3ccccc3n2c(C(=O)c2ccc3ccccc3c2)c1C(=O)OC ZINC000001098854 555628515 /nfs/dbraw/zinc/62/85/15/555628515.db2.gz SKWRJJPWPFGACJ-UHFFFAOYSA-N 0 0 437.451 5.050 50 0 IKAARN COc1ccc(/C=C2\CCCC3=C2N=C2SCC(=O)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000001108039 555629821 /nfs/dbraw/zinc/62/98/21/555629821.db2.gz HGEXBZTVUXGNBU-YLJZTEMXSA-N 0 0 432.545 5.212 50 0 IKAARN O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000001108724 555630181 /nfs/dbraw/zinc/63/01/81/555630181.db2.gz PUJRMVUDMNHQSN-UHFFFAOYSA-N 0 0 436.284 5.693 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(CSCc3ccccc3)n2CC)cc1 ZINC000001108809 555630505 /nfs/dbraw/zinc/63/05/05/555630505.db2.gz IFWBIRUJSNWVPO-UHFFFAOYSA-N 0 0 426.611 5.025 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000001108806 555630524 /nfs/dbraw/zinc/63/05/24/555630524.db2.gz KLKHDHXXMIYCHZ-LLVKDONJSA-N 0 0 436.320 5.108 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001110386 555631124 /nfs/dbraw/zinc/63/11/24/555631124.db2.gz QCZCJVDKQVDGRN-MRXNPFEDSA-N 0 0 433.895 5.771 50 0 IKAARN Cc1cc2ncn(C[C@H](O)COc3ccc4cc(Br)ccc4c3)c2cc1C ZINC000001111347 555631721 /nfs/dbraw/zinc/63/17/21/555631721.db2.gz JUPNWGYYXTZJLF-IBGZPJMESA-N 0 0 425.326 5.009 50 0 IKAARN CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000001111783 555632077 /nfs/dbraw/zinc/63/20/77/555632077.db2.gz BUKXEVWGKQDYSU-UHFFFAOYSA-N 0 0 435.380 5.121 50 0 IKAARN c1csc(Cc2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)c1 ZINC000001112486 555632428 /nfs/dbraw/zinc/63/24/28/555632428.db2.gz RJHCGCBEVHOGBY-UHFFFAOYSA-N 0 0 431.546 5.262 50 0 IKAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000001112680 555632712 /nfs/dbraw/zinc/63/27/12/555632712.db2.gz WZANTETZZPCMGG-UHFFFAOYSA-N 0 0 442.588 5.268 50 0 IKAARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)N(C)C2=S)cc1 ZINC000001113371 555632960 /nfs/dbraw/zinc/63/29/60/555632960.db2.gz AGEPGTJKXYVTKL-ZHZULCJRSA-N 0 0 438.936 5.603 50 0 IKAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccccc1Br ZINC000001113947 555633258 /nfs/dbraw/zinc/63/32/58/555633258.db2.gz PPFHWOKYQNTROZ-UHFFFAOYSA-N 0 0 440.775 5.499 50 0 IKAARN COc1ccc(NC(=O)/C(=C/c2ccc(Cl)cc2Cl)NC(=O)c2ccco2)cc1 ZINC000001114417 555633514 /nfs/dbraw/zinc/63/35/14/555633514.db2.gz FPGNSMVXGGGUQU-WQRHYEAKSA-N 0 0 431.275 5.005 50 0 IKAARN Nc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000001114985 555633706 /nfs/dbraw/zinc/63/37/06/555633706.db2.gz MQIKTEVGFGHYMH-VXKWHMMOSA-N 0 0 431.927 5.239 50 0 IKAARN Cn1c(SCC(=O)c2ccccc2)nnc1-c1sc2cc(Cl)ccc2c1Cl ZINC000001114788 555633779 /nfs/dbraw/zinc/63/37/79/555633779.db2.gz PUYCLGFTMFMPLA-UHFFFAOYSA-N 0 0 434.373 5.979 50 0 IKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1NC(=O)[C@H](CC)Oc1ccccc1 ZINC000001115183 555633974 /nfs/dbraw/zinc/63/39/74/555633974.db2.gz FNDNFNGDOOWAOK-DQEYMECFSA-N 0 0 446.547 5.587 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001115921 555634201 /nfs/dbraw/zinc/63/42/01/555634201.db2.gz DCYISAAVJNXOMS-GFCCVEGCSA-N 0 0 428.275 5.603 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000001115401 555634287 /nfs/dbraw/zinc/63/42/87/555634287.db2.gz CTUJQFYIHWKELB-CYBMUJFWSA-N 0 0 425.381 5.394 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)Nc2ccccc2Cl)cs1 ZINC000001116113 555634428 /nfs/dbraw/zinc/63/44/28/555634428.db2.gz MQEPDMJVIQWRFS-UHFFFAOYSA-N 0 0 427.334 5.108 50 0 IKAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001116043 555634442 /nfs/dbraw/zinc/63/44/42/555634442.db2.gz QHMZMKSQAZVDDY-MRXNPFEDSA-N 0 0 426.310 5.434 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000001115993 555634465 /nfs/dbraw/zinc/63/44/65/555634465.db2.gz RCADTNISIHPHPZ-CYBMUJFWSA-N 0 0 442.302 5.911 50 0 IKAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000001116689 555634596 /nfs/dbraw/zinc/63/45/96/555634596.db2.gz KLCIEOTVKTZIEF-QGZVFWFLSA-N 0 0 444.512 5.168 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000001117453 555635240 /nfs/dbraw/zinc/63/52/40/555635240.db2.gz KVAKTOLPDRRBOF-UHFFFAOYSA-N 0 0 434.879 6.253 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OCO3)sc2c1CCCCCC2 ZINC000001118017 555635605 /nfs/dbraw/zinc/63/56/05/555635605.db2.gz KLZWBIPCHNRYJA-UHFFFAOYSA-N 0 0 432.567 5.121 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000001118303 555635753 /nfs/dbraw/zinc/63/57/53/555635753.db2.gz TYVNSMOVNJFBGI-UHFFFAOYSA-N 0 0 449.359 5.379 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)s1 ZINC000001118390 555635759 /nfs/dbraw/zinc/63/57/59/555635759.db2.gz AGGVYOSACOEWTB-AREMUKBSSA-N 0 0 427.525 5.217 50 0 IKAARN COc1ccc(OC)c([C@@H](C)NC(=S)Nc2ccc(Br)cc2Cl)c1 ZINC000001118430 555635772 /nfs/dbraw/zinc/63/57/72/555635772.db2.gz ROSBPYQICSRKSV-SNVBAGLBSA-N 0 0 429.767 5.167 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000001119070 555636111 /nfs/dbraw/zinc/63/61/11/555636111.db2.gz WRNGHTUQHKQNRO-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1C ZINC000001119407 555636397 /nfs/dbraw/zinc/63/63/97/555636397.db2.gz VIHORGQBXWMGTC-UHFFFAOYSA-N 0 0 434.952 5.575 50 0 IKAARN COc1cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc(OC)c1OC ZINC000001120004 555636965 /nfs/dbraw/zinc/63/69/65/555636965.db2.gz OQBGTSZGCQUYTQ-UHFFFAOYSA-N 0 0 437.275 5.636 50 0 IKAARN COc1ccc(NC(=S)Nc2ccccc2Sc2ccc(Cl)cc2)cc1OC ZINC000001119910 555636984 /nfs/dbraw/zinc/63/69/84/555636984.db2.gz NVVAAOCQRPOCPL-UHFFFAOYSA-N 0 0 430.982 6.317 50 0 IKAARN O=C(c1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1)N1CCCC1 ZINC000001119812 555637004 /nfs/dbraw/zinc/63/70/04/555637004.db2.gz JINNOGJNNAOWMI-UHFFFAOYSA-N 0 0 438.778 5.147 50 0 IKAARN O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccc(Cc2ccncc2)cc1 ZINC000001120849 555637640 /nfs/dbraw/zinc/63/76/40/555637640.db2.gz KIOJTZGMGBWNAG-UHFFFAOYSA-N 0 0 440.886 5.919 50 0 IKAARN Cc1cccc(C)c1NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000001120951 555637690 /nfs/dbraw/zinc/63/76/90/555637690.db2.gz ROYVRWOWRMWAMQ-UHFFFAOYSA-N 0 0 427.500 5.327 50 0 IKAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc32)cc1 ZINC000001121049 555637881 /nfs/dbraw/zinc/63/78/81/555637881.db2.gz IOVBJONKRAFPCV-UHFFFAOYSA-N 0 0 429.472 5.103 50 0 biogenic IKAARN Fc1ccccc1CSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccccc1-2 ZINC000001121557 555638250 /nfs/dbraw/zinc/63/82/50/555638250.db2.gz OABQDTKYSGVZBF-YVNCXZRQSA-N 0 0 432.480 5.407 50 0 IKAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000001122183 555638532 /nfs/dbraw/zinc/63/85/32/555638532.db2.gz NUKQAUHCJAGVAO-UHFFFAOYSA-N 0 0 444.988 5.385 50 0 IKAARN Cc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)o1 ZINC000001122691 555638844 /nfs/dbraw/zinc/63/88/44/555638844.db2.gz IGTKEDUZWXMVJN-FQEVSTJZSA-N 0 0 436.924 5.889 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000001123578 555639058 /nfs/dbraw/zinc/63/90/58/555639058.db2.gz ARZACPJOQADZQK-UHFFFAOYSA-N 0 0 448.466 5.375 50 0 IKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000001123531 555639129 /nfs/dbraw/zinc/63/91/29/555639129.db2.gz GDLRPSPDLSPUHD-UHFFFAOYSA-N 0 0 441.343 5.611 50 0 IKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5c(c4)OCCO5)c23)cc1 ZINC000001123906 555639448 /nfs/dbraw/zinc/63/94/48/555639448.db2.gz XHIUYTWSDNFHHC-UHFFFAOYSA-N 0 0 434.542 5.413 50 0 IKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 ZINC000001124077 555639539 /nfs/dbraw/zinc/63/95/39/555639539.db2.gz HPKKIFWBSJALDP-UHFFFAOYSA-N 0 0 426.516 5.579 50 0 IKAARN O=C(Nc1ccccc1C(=O)OCc1cccc(C(=O)Oc2ccccc2)c1)c1ccco1 ZINC000001124304 555639575 /nfs/dbraw/zinc/63/95/75/555639575.db2.gz BVTPZOIOBYXYCL-UHFFFAOYSA-N 0 0 441.439 5.108 50 0 IKAARN CC1=C(O[C@H](C)C(=O)c2ccc(Br)cc2)C(C)(C)[C@H](c2ccccc2)OC1=O ZINC000001124758 555639908 /nfs/dbraw/zinc/63/99/08/555639908.db2.gz CSTZGNMROXDKTN-VFNWGFHPSA-N 0 0 443.337 5.635 50 0 IKAARN CC1=C(O[C@@H](C)C(=O)c2ccc(Br)cc2)C(C)(C)[C@@H](c2ccccc2)OC1=O ZINC000001124752 555639914 /nfs/dbraw/zinc/63/99/14/555639914.db2.gz CSTZGNMROXDKTN-YCRPNKLZSA-N 0 0 443.337 5.635 50 0 IKAARN CC1=C(O[C@@H](C)C(=O)c2ccc(Br)cc2)C(C)(C)[C@H](c2ccccc2)OC1=O ZINC000001124754 555639926 /nfs/dbraw/zinc/63/99/26/555639926.db2.gz CSTZGNMROXDKTN-BTYIYWSLSA-N 0 0 443.337 5.635 50 0 IKAARN O=C(CSc1nnc(Nc2ccccc2)n1-c1ccccc1)Nc1ccccc1Cl ZINC000001124387 555639993 /nfs/dbraw/zinc/63/99/93/555639993.db2.gz HFLVMQMEVPACMV-UHFFFAOYSA-N 0 0 435.940 5.395 50 0 IKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)c2)cc1 ZINC000001124776 555640160 /nfs/dbraw/zinc/64/01/60/555640160.db2.gz ZXKNYOPUCADQPY-UHFFFAOYSA-N 0 0 447.494 5.722 50 0 IKAARN Cc1cc2nc(SCc3nnc(-c4ccccc4)o3)oc2c(-n2nc3ccccc3n2)c1 ZINC000001125309 555640166 /nfs/dbraw/zinc/64/01/66/555640166.db2.gz GNRATXJRWGGFHQ-UHFFFAOYSA-N 0 0 440.488 5.212 50 0 IKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000001126436 555641036 /nfs/dbraw/zinc/64/10/36/555641036.db2.gz UVMJXOOFHGRTTB-UHFFFAOYSA-N 0 0 448.935 5.287 50 0 IKAARN O=C(Nc1cc(Br)ccc1O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000001126426 555641048 /nfs/dbraw/zinc/64/10/48/555641048.db2.gz NMICZCPOLJEGJL-UHFFFAOYSA-N 0 0 428.069 5.369 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccnc2ccccc21 ZINC000001127072 555641642 /nfs/dbraw/zinc/64/16/42/555641642.db2.gz BPQGMNVCNIPBMC-UHFFFAOYSA-N 0 0 443.557 5.275 50 0 IKAARN Clc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1 ZINC000001127741 555642202 /nfs/dbraw/zinc/64/22/02/555642202.db2.gz YLMTZKQFKAIYFO-UHFFFAOYSA-N 0 0 431.952 5.611 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(C)c2C)cc1 ZINC000001127946 555642275 /nfs/dbraw/zinc/64/22/75/555642275.db2.gz MEFJLJKBWURCCZ-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc(C)c3C)cc2)S(C)(=O)=O)cc1C ZINC000001128186 555642579 /nfs/dbraw/zinc/64/25/79/555642579.db2.gz WGUPOCKGDXXNBX-UHFFFAOYSA-N 0 0 436.577 5.139 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2cc(NC(=O)Nc3cc(C)ccc3C)c(C)nc2C)c1 ZINC000001128276 555642597 /nfs/dbraw/zinc/64/25/97/555642597.db2.gz SJQDMIDDPALKHZ-UHFFFAOYSA-N 0 0 431.540 6.220 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000001128236 555642603 /nfs/dbraw/zinc/64/26/03/555642603.db2.gz CCNFZOHDGPGINZ-UHFFFAOYSA-N 0 0 428.941 5.034 50 0 IKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001128998 555643068 /nfs/dbraw/zinc/64/30/68/555643068.db2.gz RNICRDQCPVNITQ-UHFFFAOYSA-N 0 0 440.565 5.175 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000001129173 555643384 /nfs/dbraw/zinc/64/33/84/555643384.db2.gz WOQZBYHMHRVNIM-UHFFFAOYSA-N 0 0 427.291 5.053 50 0 IKAARN O=C(Nc1ccccc1)c1ccccc1OCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000001129730 555643637 /nfs/dbraw/zinc/64/36/37/555643637.db2.gz IWBYFMHUAGEBBV-UHFFFAOYSA-N 0 0 443.524 5.351 50 0 IKAARN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1Cl ZINC000001130725 555644295 /nfs/dbraw/zinc/64/42/95/555644295.db2.gz LNOCRXVFKMAKRV-UHFFFAOYSA-N 0 0 434.650 5.475 50 0 IKAARN COc1ccc([C@@H](CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)c2ccccc2)cc1 ZINC000001132596 555645463 /nfs/dbraw/zinc/64/54/63/555645463.db2.gz FIAIWQVEJJZKHG-VWLOTQADSA-N 0 0 433.548 5.283 50 0 IKAARN COc1ccc([C@H](CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)c2ccccc2)cc1 ZINC000001132598 555645477 /nfs/dbraw/zinc/64/54/77/555645477.db2.gz FIAIWQVEJJZKHG-RUZDIDTESA-N 0 0 433.548 5.283 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccc2c(c1)OCO2 ZINC000001133206 555645759 /nfs/dbraw/zinc/64/57/59/555645759.db2.gz XLGGORCZCYQQJD-UHFFFAOYSA-N 0 0 440.933 5.715 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Br)c3)o2)cc1 ZINC000001134159 555646308 /nfs/dbraw/zinc/64/63/08/555646308.db2.gz HMZLZDSKACEWGK-UHFFFAOYSA-N 0 0 438.734 5.192 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)o2)cc1 ZINC000001135480 555646809 /nfs/dbraw/zinc/64/68/09/555646809.db2.gz DJIWHJFRJODRQL-UHFFFAOYSA-N 0 0 432.343 5.155 50 0 IKAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000001136903 555647467 /nfs/dbraw/zinc/64/74/67/555647467.db2.gz SZQPQTDODATLTE-UHFFFAOYSA-N 0 0 438.597 5.348 50 0 IKAARN Cc1cccc(C(=O)Nc2nnc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)s2)c1 ZINC000001137401 555647787 /nfs/dbraw/zinc/64/77/87/555647787.db2.gz VIFBRSQHIBHYKC-MRXNPFEDSA-N 0 0 440.594 5.143 50 0 IKAARN S=C(c1ccc(OCc2cccc3ccccc32)c(Br)c1)N1CCOCC1 ZINC000001138080 555648053 /nfs/dbraw/zinc/64/80/53/555648053.db2.gz UMRNUOBCYHAXHG-UHFFFAOYSA-N 0 0 442.378 5.189 50 0 IKAARN COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(Cc3ccncc3)cc1)C2=O ZINC000001139013 555648337 /nfs/dbraw/zinc/64/83/37/555648337.db2.gz KEPXJVZNBIZFNF-UHFFFAOYSA-N 0 0 436.467 5.274 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccco1 ZINC000001139070 555648782 /nfs/dbraw/zinc/64/87/82/555648782.db2.gz SEGYFUJSHOTMEB-UHFFFAOYSA-N 0 0 433.823 5.146 50 0 IKAARN CCC(=O)Nc1ccc2nc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000001139205 555648792 /nfs/dbraw/zinc/64/87/92/555648792.db2.gz LZIJLAUPWZDQGY-HNNXBMFYSA-N 0 0 427.595 5.689 50 0 IKAARN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001139900 555649419 /nfs/dbraw/zinc/64/94/19/555649419.db2.gz VGRFHWBWORKZBI-UHFFFAOYSA-N 0 0 434.487 5.029 50 0 IKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000001140598 555649703 /nfs/dbraw/zinc/64/97/03/555649703.db2.gz BTQWYXFCLJNESN-UHFFFAOYSA-N 0 0 437.710 6.508 50 0 IKAARN CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccccc3-c3ccccc3)cc21 ZINC000001140951 555650064 /nfs/dbraw/zinc/65/00/64/555650064.db2.gz FUXOOFIWHZJVCO-UHFFFAOYSA-N 0 0 432.523 6.389 50 0 IKAARN COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl ZINC000001141333 555650097 /nfs/dbraw/zinc/65/00/97/555650097.db2.gz WWZKTJWODSYAGE-UHFFFAOYSA-N 0 0 449.688 5.209 50 0 aggregator IKAARN Nc1c(C(=O)Nc2nccs2)sc2nc3c(c(-c4ccccc4Cl)c12)CCCC3 ZINC000001142531 555650909 /nfs/dbraw/zinc/65/09/09/555650909.db2.gz MZHTVJVUJGLPPJ-UHFFFAOYSA-N 0 0 440.981 5.787 50 0 IKAARN CC(=O)c1c(C)cc(C)c(CSc2nnc(NC(=O)c3cccc(C)c3)s2)c1C ZINC000001142463 555650911 /nfs/dbraw/zinc/65/09/11/555650911.db2.gz XXMLPMYZSXALQA-UHFFFAOYSA-N 0 0 425.579 5.519 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc(C)c4)cc3s2)c1 ZINC000001143084 555651254 /nfs/dbraw/zinc/65/12/54/555651254.db2.gz USEYSFIATAUXSP-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN O=C(Nc1nnc(SCc2cccc(Br)c2)s1)c1ccccc1Cl ZINC000001143282 555651546 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CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000001145910 555653296 /nfs/dbraw/zinc/65/32/96/555653296.db2.gz CUNLYELBKFYVFY-UHFFFAOYSA-N 0 0 441.318 5.687 50 0 IKAARN CN(c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000001146183 555653569 /nfs/dbraw/zinc/65/35/69/555653569.db2.gz LHTAKKLJUZBNQF-UHFFFAOYSA-N 0 0 442.540 5.431 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001146235 555653599 /nfs/dbraw/zinc/65/35/99/555653599.db2.gz OPVICPKNQCHZJT-UHFFFAOYSA-N 0 0 448.693 5.868 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001146276 555653629 /nfs/dbraw/zinc/65/36/29/555653629.db2.gz IWTGEPYGPNBJQS-UHFFFAOYSA-N 0 0 449.721 5.917 50 0 IKAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1 ZINC000001147837 555654344 /nfs/dbraw/zinc/65/43/44/555654344.db2.gz PHVBQOAHUOHCMR-UHFFFAOYSA-N 0 0 434.487 5.351 50 0 IKAARN COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000001148980 555655257 /nfs/dbraw/zinc/65/52/57/555655257.db2.gz HUQXAZKXGSPSKH-UHFFFAOYSA-N 0 0 429.303 5.436 50 0 IKAARN O=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Br)cc1 ZINC000001149268 555655518 /nfs/dbraw/zinc/65/55/18/555655518.db2.gz GEZHSFWIKDVYFO-GOSISDBHSA-N 0 0 447.379 5.051 50 0 aggregator IKAARN O=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 ZINC000001149271 555655581 /nfs/dbraw/zinc/65/55/81/555655581.db2.gz GEZHSFWIKDVYFO-SFHVURJKSA-N 0 0 447.379 5.051 50 0 aggregator IKAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000001149278 555655605 /nfs/dbraw/zinc/65/56/05/555655605.db2.gz SXFYAYSPNAKEMG-UHFFFAOYSA-N 0 0 426.563 5.047 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001150022 555655906 /nfs/dbraw/zinc/65/59/06/555655906.db2.gz LJTXXIJGJCAONF-UHFFFAOYSA-N 0 0 434.898 6.285 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2C)cc1 ZINC000001150855 555656440 /nfs/dbraw/zinc/65/64/40/555656440.db2.gz XUDOKAVVCCTCNX-UHFFFAOYSA-N 0 0 434.590 5.652 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1Br ZINC000001151447 555656683 /nfs/dbraw/zinc/65/66/83/555656683.db2.gz JDTKQSKCWXDAPW-UHFFFAOYSA-N 0 0 432.701 6.156 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000001151922 555656876 /nfs/dbraw/zinc/65/68/76/555656876.db2.gz RJPYCHNHBPPMFW-SFHVURJKSA-N 0 0 443.908 5.024 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cncc(Br)c4)cc3)nc2c1 ZINC000001154611 555658073 /nfs/dbraw/zinc/65/80/73/555658073.db2.gz WNUTYTYYKGVWJY-UHFFFAOYSA-N 0 0 436.309 6.028 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 ZINC000001154875 555658384 /nfs/dbraw/zinc/65/83/84/555658384.db2.gz ZEBZCTQOPWKMIG-UHFFFAOYSA-N 0 0 443.956 5.220 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1Cl ZINC000001154790 555658412 /nfs/dbraw/zinc/65/84/12/555658412.db2.gz WFPZCGZHHUETSH-UHFFFAOYSA-N 0 0 432.867 5.389 50 0 IKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000001154967 555658436 /nfs/dbraw/zinc/65/84/36/555658436.db2.gz RKZBOHIBGCUVEA-FPMFRTRJSA-N 0 0 448.349 5.738 50 0 IKAARN COC(=O)c1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C(=O)OC)c1 ZINC000001155312 555658636 /nfs/dbraw/zinc/65/86/36/555658636.db2.gz FUIHEWYIIDLTOF-UHFFFAOYSA-N 0 0 448.258 5.079 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001155958 555658701 /nfs/dbraw/zinc/65/87/01/555658701.db2.gz MNTBELBZFGOHEN-HNNXBMFYSA-N 0 0 445.581 5.345 50 0 IKAARN C[C@H]1CCCc2sc3ncn4c(SCC(=O)c5ccc(Cl)cc5)nnc4c3c21 ZINC000001156454 555658969 /nfs/dbraw/zinc/65/89/69/555658969.db2.gz MGGZNUBNAOCYFG-NSHDSACASA-N 0 0 428.970 5.407 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000001156718 555659249 /nfs/dbraw/zinc/65/92/49/555659249.db2.gz HOPZEGSMQXPIFO-UHFFFAOYSA-N 0 0 443.286 5.828 50 0 IKAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2c(Cl)cccc2Cl)NC(=S)N1 ZINC000001156673 555659290 /nfs/dbraw/zinc/65/92/90/555659290.db2.gz XATGBDVELLIEAR-MRXNPFEDSA-N 0 0 426.756 5.078 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000001161148 555661799 /nfs/dbraw/zinc/66/17/99/555661799.db2.gz CHJGRIIOVLCENO-UHFFFAOYSA-N 0 0 435.332 5.711 50 0 IKAARN O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000001163292 555662979 /nfs/dbraw/zinc/66/29/79/555662979.db2.gz IYRHCUDUXZCYLT-QHCPKHFHSA-N 0 0 432.317 5.089 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000001163972 555663243 /nfs/dbraw/zinc/66/32/43/555663243.db2.gz BPOCIWYQZATYIO-UHFFFAOYSA-N 0 0 433.876 5.003 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001166387 555664089 /nfs/dbraw/zinc/66/40/89/555664089.db2.gz AARDVMNKGQCIBE-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN CCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OCC)c1OCC ZINC000001167274 555664708 /nfs/dbraw/zinc/66/47/08/555664708.db2.gz IYZLTCYWFUFAAI-UHFFFAOYSA-N 0 0 448.519 5.387 50 0 IKAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000001169006 555665568 /nfs/dbraw/zinc/66/55/68/555665568.db2.gz QYQBBVNLVJEWSZ-UHFFFAOYSA-N 0 0 446.728 5.699 50 0 IKAARN CSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1Cl)N(C(C)=O)c1ccccc1-2 ZINC000001169066 555665669 /nfs/dbraw/zinc/66/56/69/555665669.db2.gz AEVNCRSCIDBEBK-GOSISDBHSA-N 0 0 433.320 5.011 50 0 IKAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001170363 555666132 /nfs/dbraw/zinc/66/61/32/555666132.db2.gz VSVCYOXDTCICIS-UHFFFAOYSA-N 0 0 430.895 5.339 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)NCc2ccccc2)C1 ZINC000001171044 555666438 /nfs/dbraw/zinc/66/64/38/555666438.db2.gz BPZXUPRMXGBYIY-QGZVFWFLSA-N 0 0 436.577 5.674 50 0 IKAARN CCc1ccccc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001171304 555666660 /nfs/dbraw/zinc/66/66/60/555666660.db2.gz BWRBLJAYLWEOKR-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000001171336 555666778 /nfs/dbraw/zinc/66/67/78/555666778.db2.gz JUAKJLJSFKYUQK-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc3ccccc32)cc1Br ZINC000001171196 555666785 /nfs/dbraw/zinc/66/67/85/555666785.db2.gz JZMTXGRJPMJERA-UHFFFAOYSA-N 0 0 429.339 5.128 50 0 IKAARN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 ZINC000001171435 555666982 /nfs/dbraw/zinc/66/69/82/555666982.db2.gz FBKSZVMCLWYRNL-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000001171388 555666993 /nfs/dbraw/zinc/66/69/93/555666993.db2.gz QEORAJBHOAPSQA-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 IKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000001172367 555667555 /nfs/dbraw/zinc/66/75/55/555667555.db2.gz OOROOEBBQRTISQ-UHFFFAOYSA-N 0 0 426.925 5.658 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 ZINC000001172494 555667575 /nfs/dbraw/zinc/66/75/75/555667575.db2.gz RLZJHPZRKOAJHY-UHFFFAOYSA-N 0 0 446.532 5.112 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000001173241 555668194 /nfs/dbraw/zinc/66/81/94/555668194.db2.gz VUCFYXBUUXBLMU-UHFFFAOYSA-N 0 0 431.517 5.247 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C(N)=O)C1 ZINC000001172985 555668205 /nfs/dbraw/zinc/66/82/05/555668205.db2.gz MMHMLNDJTCOGPI-GFCCVEGCSA-N 0 0 435.387 5.013 50 0 IKAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000001173909 555668435 /nfs/dbraw/zinc/66/84/35/555668435.db2.gz WIWWLGFXVAQKTB-UHFFFAOYSA-N 0 0 430.529 5.058 50 0 IKAARN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000001173967 555668690 /nfs/dbraw/zinc/66/86/90/555668690.db2.gz FJLQKENGDUQSJZ-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cc2ccccc2o1 ZINC000001174835 555669132 /nfs/dbraw/zinc/66/91/32/555669132.db2.gz IFNGDUOGYPNOTQ-UHFFFAOYSA-N 0 0 440.480 5.333 50 0 IKAARN CCOc1cc(C=O)cc(I)c1OCc1cccc2ccccc21 ZINC000001175159 555669255 /nfs/dbraw/zinc/66/92/55/555669255.db2.gz WKAKINRUCBUJMM-UHFFFAOYSA-N 0 0 432.257 5.235 50 0 IKAARN Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3C2=O)c1C ZINC000001175607 555669519 /nfs/dbraw/zinc/66/95/19/555669519.db2.gz IIBHSYPRXKOHKS-UHFFFAOYSA-N 0 0 438.405 5.375 50 0 IKAARN Nc1nc(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c21)CCCCC3 ZINC000001176919 555669922 /nfs/dbraw/zinc/66/99/22/555669922.db2.gz YAFFTLWDDZERDK-UHFFFAOYSA-N 0 0 448.411 5.280 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000001178612 555670818 /nfs/dbraw/zinc/67/08/18/555670818.db2.gz JBHNGKCOJXLYHW-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN COc1ccc(Cc2nnc(NC(=O)Nc3ccc(C(C)(C)C)cc3)s2)cc1OC ZINC000001179185 555671153 /nfs/dbraw/zinc/67/11/53/555671153.db2.gz UUBLYNGNQZNJTC-UHFFFAOYSA-N 0 0 426.542 5.088 50 0 IKAARN CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O ZINC000001179990 555671372 /nfs/dbraw/zinc/67/13/72/555671372.db2.gz JDPNRFOAOPABRY-ZDLGFXPLSA-N 0 0 438.332 5.637 50 0 IKAARN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3Cl)oc2c1 ZINC000001180433 555671381 /nfs/dbraw/zinc/67/13/81/555671381.db2.gz VDPOCODNOZIJNV-UHFFFAOYSA-N 0 0 427.938 5.645 50 0 IKAARN CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000001180355 555671456 /nfs/dbraw/zinc/67/14/56/555671456.db2.gz XLKREAQZQZEYMR-UHFFFAOYSA-N 0 0 433.986 5.209 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000001181480 555671944 /nfs/dbraw/zinc/67/19/44/555671944.db2.gz OJGSUBFIJQMIRT-YRNVUSSQSA-N 0 0 448.935 5.378 50 0 IKAARN CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000001181192 555671980 /nfs/dbraw/zinc/67/19/80/555671980.db2.gz YTDXTCSEICAWEY-ZDLGFXPLSA-N 0 0 448.338 5.093 50 0 IKAARN Cc1c(NC(=S)NC(=O)COc2ccccc2)cccc1-c1nc2ccccc2s1 ZINC000001182803 555672500 /nfs/dbraw/zinc/67/25/00/555672500.db2.gz GINZASUBPZSQAF-UHFFFAOYSA-N 0 0 433.558 5.164 50 0 IKAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000001182517 555672515 /nfs/dbraw/zinc/67/25/15/555672515.db2.gz OUZMVBDSGNHHJV-ZDUSSCGKSA-N 0 0 428.941 5.946 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2C)cc1OC ZINC000001184059 555673128 /nfs/dbraw/zinc/67/31/28/555673128.db2.gz JDSCKSAWCRNUDF-UHFFFAOYSA-N 0 0 433.327 5.151 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2cccc3ccccc32)cc1)c1cccc(C(F)(F)F)c1 ZINC000001184346 555673365 /nfs/dbraw/zinc/67/33/65/555673365.db2.gz WWHYHASWYJKHLV-UHFFFAOYSA-N 0 0 434.417 6.363 50 0 IKAARN COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4Br)n3)cc2c1 ZINC000001184448 555673368 /nfs/dbraw/zinc/67/33/68/555673368.db2.gz OQUZVJWCBMZDJD-UHFFFAOYSA-N 0 0 429.295 5.431 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001185117 555673715 /nfs/dbraw/zinc/67/37/15/555673715.db2.gz LZOMWUQAYSHJLG-UHFFFAOYSA-N 0 0 428.275 5.523 50 0 IKAARN O=S(=O)(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccccc1 ZINC000001185965 555674295 /nfs/dbraw/zinc/67/42/95/555674295.db2.gz QTEIEMMNGHPESY-UHFFFAOYSA-N 0 0 429.295 5.058 50 0 IKAARN CCc1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000001186065 555674339 /nfs/dbraw/zinc/67/43/39/555674339.db2.gz HMCODNVMKRPBES-UHFFFAOYSA-N 0 0 442.968 5.045 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccccc2C)cc1 ZINC000001186010 555674353 /nfs/dbraw/zinc/67/43/53/555674353.db2.gz MNPQBBTUWSKATA-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccc(C)cc1 ZINC000001186224 555674362 /nfs/dbraw/zinc/67/43/62/555674362.db2.gz SIBLMZNBSYNHAB-UHFFFAOYSA-N 0 0 426.538 5.349 50 0 IKAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1C ZINC000001186045 555674381 /nfs/dbraw/zinc/67/43/81/555674381.db2.gz NVUQVBCJVDJHAF-UHFFFAOYSA-N 0 0 442.968 5.175 50 0 IKAARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 ZINC000001188953 555675198 /nfs/dbraw/zinc/67/51/98/555675198.db2.gz MKTPKSLBZWNMEK-QFIPXVFZSA-N 0 0 433.508 5.050 50 0 IKAARN COc1cc(OC)c(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1Cl ZINC000001192051 555675795 /nfs/dbraw/zinc/67/57/95/555675795.db2.gz WPTBCMALCSGSKP-UHFFFAOYSA-N 0 0 441.698 5.880 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000001194294 555676391 /nfs/dbraw/zinc/67/63/91/555676391.db2.gz IRROGJXAUSYRGP-UHFFFAOYSA-N 0 0 437.293 5.908 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001196588 555677031 /nfs/dbraw/zinc/67/70/31/555677031.db2.gz PUHRVYLSWRXORZ-GHMZBOCLSA-N 0 0 442.894 5.533 50 0 IKAARN CCn1c2ccccc2c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)nc21 ZINC000001196691 555677073 /nfs/dbraw/zinc/67/70/73/555677073.db2.gz OMHSOLAWNNNGMY-UHFFFAOYSA-N 0 0 439.544 5.456 50 0 IKAARN COc1ccc(OC)c(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)c1 ZINC000001198573 555677857 /nfs/dbraw/zinc/67/78/57/555677857.db2.gz UENGVCKJRBCTHB-UHFFFAOYSA-N 0 0 448.544 5.127 50 0 IKAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc(F)c1 ZINC000001198628 555677878 /nfs/dbraw/zinc/67/78/78/555677878.db2.gz CXGWECUCBNPSCI-UHFFFAOYSA-N 0 0 436.508 5.257 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N[C@@](C)(c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000001199676 555678253 /nfs/dbraw/zinc/67/82/53/555678253.db2.gz FHUGDUIGFGRWFS-AREMUKBSSA-N 0 0 432.520 5.573 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 ZINC000001201179 555678462 /nfs/dbraw/zinc/67/84/62/555678462.db2.gz LATGWFLIJRZQAB-LJQANCHMSA-N 0 0 444.398 5.004 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000001200626 555678490 /nfs/dbraw/zinc/67/84/90/555678490.db2.gz ZITYKVXCMCJENZ-SNVBAGLBSA-N 0 0 425.381 5.557 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000001200625 555678533 /nfs/dbraw/zinc/67/85/33/555678533.db2.gz ZITYKVXCMCJENZ-JTQLQIEISA-N 0 0 425.381 5.557 50 0 IKAARN Cc1ccc(OCc2nc(Cc3ccc(Cl)c(Cl)c3)no2)c(Br)c1 ZINC000001205690 555680249 /nfs/dbraw/zinc/68/02/49/555680249.db2.gz CDNSAZMFOJGAGC-UHFFFAOYSA-N 0 0 428.113 5.617 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c(C)c1 ZINC000001205503 555680286 /nfs/dbraw/zinc/68/02/86/555680286.db2.gz TUSHYIRNXJUMFG-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 ZINC000001206457 555680607 /nfs/dbraw/zinc/68/06/07/555680607.db2.gz QPCVVGPXHBPRAO-UHFFFAOYSA-N 0 0 449.557 5.288 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc2c(c1)OCCO2 ZINC000001206628 555680615 /nfs/dbraw/zinc/68/06/15/555680615.db2.gz YONNDZUDWCHNCA-UHFFFAOYSA-N 0 0 441.270 5.825 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl ZINC000001206379 555680618 /nfs/dbraw/zinc/68/06/18/555680618.db2.gz PXPRZZWYCMTRQK-UHFFFAOYSA-N 0 0 429.303 5.897 50 0 IKAARN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1 ZINC000001207181 555680855 /nfs/dbraw/zinc/68/08/55/555680855.db2.gz QFMZRDGGCZYFPH-UHFFFAOYSA-N 0 0 436.558 5.677 50 0 IKAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)c1 ZINC000001207648 555680868 /nfs/dbraw/zinc/68/08/68/555680868.db2.gz BPLWLXNFXARPAG-UHFFFAOYSA-N 0 0 432.476 5.553 50 0 IKAARN O=C(Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1 ZINC000001207401 555680922 /nfs/dbraw/zinc/68/09/22/555680922.db2.gz FIDCDJUGHXKMPP-UHFFFAOYSA-N 0 0 434.417 6.363 50 0 IKAARN Cc1c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cccc1-c1nc2ncccc2o1 ZINC000001207651 555680946 /nfs/dbraw/zinc/68/09/46/555680946.db2.gz WETJECPMOCUWBE-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C ZINC000001208529 555681259 /nfs/dbraw/zinc/68/12/59/555681259.db2.gz BHCZFNMFIVDMRC-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3O)nc2c1 ZINC000001208435 555681267 /nfs/dbraw/zinc/68/12/67/555681267.db2.gz DWPMHLWSAJWJKA-UHFFFAOYSA-N 0 0 444.874 6.675 50 0 IKAARN O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 ZINC000001208984 555681666 /nfs/dbraw/zinc/68/16/66/555681666.db2.gz NELBTWIZKJATBY-UHFFFAOYSA-N 0 0 429.701 5.607 50 0 IKAARN Cc1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000001209320 555681679 /nfs/dbraw/zinc/68/16/79/555681679.db2.gz CUEDBAODBHGCEC-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN Cc1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cccc1-c1nc2ncccc2o1 ZINC000001212377 555682481 /nfs/dbraw/zinc/68/24/81/555682481.db2.gz XTIACLZHTIFXDE-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCC3)cc1 ZINC000001212368 555682526 /nfs/dbraw/zinc/68/25/26/555682526.db2.gz APCUBIQVEWLCJM-UHFFFAOYSA-N 0 0 438.524 5.669 50 0 IKAARN COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CC[C@@H](C)C3)cc1 ZINC000001212188 555682539 /nfs/dbraw/zinc/68/25/39/555682539.db2.gz HBNFPSYOMQNHIA-CQSZACIVSA-N 0 0 438.524 5.525 50 0 IKAARN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000001213454 555683076 /nfs/dbraw/zinc/68/30/76/555683076.db2.gz VQIFLCWUBKERFP-UHFFFAOYSA-N 0 0 436.939 6.151 50 0 IKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)cc1 ZINC000001213238 555683115 /nfs/dbraw/zinc/68/31/15/555683115.db2.gz DJYSQWJCLAZAOD-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)cc3N2)cc1 ZINC000001214237 555683363 /nfs/dbraw/zinc/68/33/63/555683363.db2.gz WLKAGXRBMXBQOS-AEFFLSMTSA-N 0 0 436.384 5.382 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 ZINC000001213799 555683368 /nfs/dbraw/zinc/68/33/68/555683368.db2.gz WKUPCASHXKSZLQ-CQSZACIVSA-N 0 0 440.590 5.838 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)cc3N2)cc1 ZINC000001214241 555683406 /nfs/dbraw/zinc/68/34/06/555683406.db2.gz WLKAGXRBMXBQOS-SJLPKXTDSA-N 0 0 436.384 5.382 50 0 IKAARN CCc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccco1 ZINC000001214007 555683415 /nfs/dbraw/zinc/68/34/15/555683415.db2.gz RDTDKYUXNKCUHD-UHFFFAOYSA-N 0 0 430.529 6.384 50 0 IKAARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(Br)o4)c3)oc2cc1C ZINC000001216322 555683950 /nfs/dbraw/zinc/68/39/50/555683950.db2.gz XBPVWZVGXJCYDE-UHFFFAOYSA-N 0 0 445.700 6.373 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(Br)o4)c3)oc2c1 ZINC000001216632 555684228 /nfs/dbraw/zinc/68/42/28/555684228.db2.gz RQQSKFINURTHDH-UHFFFAOYSA-N 0 0 431.673 6.064 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Br)cc4)cc3)nc2c1 ZINC000001216597 555684238 /nfs/dbraw/zinc/68/42/38/555684238.db2.gz HAQKXEDWXCNCLT-UHFFFAOYSA-N 0 0 437.293 5.583 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000001217792 555684847 /nfs/dbraw/zinc/68/48/47/555684847.db2.gz CALYRQXUBJTAOB-UHFFFAOYSA-N 0 0 436.920 5.023 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001219006 555685127 /nfs/dbraw/zinc/68/51/27/555685127.db2.gz WRLPCHMHXNZPPE-UHFFFAOYSA-N 0 0 441.256 5.414 50 0 IKAARN Cc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001220620 555685706 /nfs/dbraw/zinc/68/57/06/555685706.db2.gz MTGICUMRDRCISG-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CC(C)c1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000001220642 555685746 /nfs/dbraw/zinc/68/57/46/555685746.db2.gz NBMQRKZYVWOKKP-UHFFFAOYSA-N 0 0 442.968 5.297 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000001225940 555686299 /nfs/dbraw/zinc/68/62/99/555686299.db2.gz FJFADLXKPKKGLD-YCIYHOANSA-N 0 0 444.328 5.020 50 0 IKAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000001236621 555687100 /nfs/dbraw/zinc/68/71/00/555687100.db2.gz KVHYVNYSIHRMFU-GOSISDBHSA-N 0 0 438.549 5.018 50 0 IKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000001255557 555687716 /nfs/dbraw/zinc/68/77/16/555687716.db2.gz GPPUXZWJZLTXGR-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 IKAARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc2ccccc2c1 ZINC000001255721 555687846 /nfs/dbraw/zinc/68/78/46/555687846.db2.gz HHFJZGQQFCFYDQ-UHFFFAOYSA-N 0 0 439.949 5.572 50 0 IKAARN O=C(CSc1nc2ccccc2s1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001260298 555688124 /nfs/dbraw/zinc/68/81/24/555688124.db2.gz RXJKSHFANNLCIS-UHFFFAOYSA-N 0 0 443.553 6.349 50 0 IKAARN O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000001268483 555688688 /nfs/dbraw/zinc/68/86/88/555688688.db2.gz IQFOKKTYRCHASU-UHFFFAOYSA-N 0 0 445.338 5.035 50 0 IKAARN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001268153 555688736 /nfs/dbraw/zinc/68/87/36/555688736.db2.gz WHSIQUMANGVYRU-UHFFFAOYSA-N 0 0 449.403 5.682 50 0 IKAARN Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000001288531 555688988 /nfs/dbraw/zinc/68/89/88/555688988.db2.gz AZESALIDYFRBCQ-UHFFFAOYSA-N 0 0 443.743 6.030 50 0 IKAARN Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1 ZINC000001294844 555689015 /nfs/dbraw/zinc/68/90/15/555689015.db2.gz KBRGELCXZJDPIE-NRFANRHFSA-N 0 0 431.517 5.226 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccccc1 ZINC000001282915 555689088 /nfs/dbraw/zinc/68/90/88/555689088.db2.gz WPMVRLFCYFJDLS-IBGZPJMESA-N 0 0 440.956 5.076 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)s2)cc1 ZINC000001303289 555689334 /nfs/dbraw/zinc/68/93/34/555689334.db2.gz IZBFUQDQMKKPPU-UHFFFAOYSA-N 0 0 445.635 5.495 50 0 IKAARN CCN(CC)C(=O)COc1ccc(-c2nnc(NC3CCCCC3)c3ccccc32)cc1 ZINC000001295537 555689358 /nfs/dbraw/zinc/68/93/58/555689358.db2.gz RGHNFRRXDWSOST-UHFFFAOYSA-N 0 0 432.568 5.289 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3c(C)cccc3C)s2)cc1 ZINC000001297597 555689394 /nfs/dbraw/zinc/68/93/94/555689394.db2.gz XQMWGPIOSIEROA-UHFFFAOYSA-N 0 0 431.608 5.187 50 0 IKAARN O=C(/C=C/c1nc2ccccc2s1)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000009987209 555691208 /nfs/dbraw/zinc/69/12/08/555691208.db2.gz CMMSKPLTTLMEBX-CMDGGOBGSA-N 0 0 440.830 5.164 50 0 IKAARN CN(C)C=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001384907 555693263 /nfs/dbraw/zinc/69/32/63/555693263.db2.gz LNCAOWSNFFOTEX-UHFFFAOYSA-N 0 0 447.149 5.323 50 0 IKAARN COc1ccc(CCNc2ncc3c(n2)C[C@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 ZINC000001407290 555693737 /nfs/dbraw/zinc/69/37/37/555693737.db2.gz QLLXNQXHEKCDFP-FQEVSTJZSA-N 0 0 429.564 5.350 50 0 IKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001408523 555694086 /nfs/dbraw/zinc/69/40/86/555694086.db2.gz NIVXSDOAQUQKPK-UHFFFAOYSA-N 0 0 444.560 5.623 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001412548 555694574 /nfs/dbraw/zinc/69/45/74/555694574.db2.gz KDRAJOOCLJLJQC-UHFFFAOYSA-N 0 0 431.311 5.024 50 0 IKAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)c1 ZINC000001413841 555694736 /nfs/dbraw/zinc/69/47/36/555694736.db2.gz ORWQHAPFWKQXID-UHFFFAOYSA-N 0 0 427.485 5.676 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)cc1Cl ZINC000001413859 555694888 /nfs/dbraw/zinc/69/48/88/555694888.db2.gz UNKZDEKQRRRZOU-UHFFFAOYSA-N 0 0 436.895 5.791 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000001413882 555694909 /nfs/dbraw/zinc/69/49/09/555694909.db2.gz YBQNXLSNKHQWIG-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CCOc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OCC ZINC000001422170 555695699 /nfs/dbraw/zinc/69/56/99/555695699.db2.gz ORVZISZRLHMLTN-UHFFFAOYSA-N 0 0 443.503 5.382 50 0 IKAARN Cn1c2ccccc2nc1SCc1ccccc1CSc1nc2ccccc2n1C ZINC000001426219 555695782 /nfs/dbraw/zinc/69/57/82/555695782.db2.gz SXVNRDSWYBAENC-UHFFFAOYSA-N 0 0 430.602 6.045 50 0 IKAARN CC(C)(C)c1ccc(-c2cc(C3CCN(C(=O)Nc4cccc(Cl)c4)CC3)[nH]n2)cc1 ZINC000001425368 555695800 /nfs/dbraw/zinc/69/58/00/555695800.db2.gz HESDIBVLMXPRRA-UHFFFAOYSA-N 0 0 436.987 6.439 50 0 IKAARN Nc1nc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)cs1 ZINC000001428454 555696294 /nfs/dbraw/zinc/69/62/94/555696294.db2.gz QALVXLGLHQQPCF-UHFFFAOYSA-N 0 0 448.404 5.631 50 0 IKAARN CCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000001431544 555696477 /nfs/dbraw/zinc/69/64/77/555696477.db2.gz HRXPJJJAXURCDW-UHFFFAOYSA-N 0 0 438.911 5.317 50 0 IKAARN Cc1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000001435475 555696800 /nfs/dbraw/zinc/69/68/00/555696800.db2.gz BVYWAWWDTWWJBD-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3C)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000001439880 555697458 /nfs/dbraw/zinc/69/74/58/555697458.db2.gz FFYNZUVUALAQAO-RPBOFIJWSA-N 0 0 445.515 5.106 50 0 IKAARN O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1cccc(I)c1 ZINC000001442234 555697886 /nfs/dbraw/zinc/69/78/86/555697886.db2.gz XWSMGXGXLYQZRG-AWEZNQCLSA-N 0 0 432.088 5.205 50 0 IKAARN Cc1ccc(C)c(NC(=S)N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000001446558 555699238 /nfs/dbraw/zinc/69/92/38/555699238.db2.gz YPYYJULILFLUOF-QGZVFWFLSA-N 0 0 444.815 5.025 50 0 IKAARN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)cc1 ZINC000001447608 555699575 /nfs/dbraw/zinc/69/95/75/555699575.db2.gz DSPPIVBSUJMIBC-IBGZPJMESA-N 0 0 449.352 5.441 50 0 IKAARN Cc1ccccc1C(=O)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001450865 555699627 /nfs/dbraw/zinc/69/96/27/555699627.db2.gz VBMAQNCPKARRBN-HNNXBMFYSA-N 0 0 437.548 5.263 50 0 IKAARN COc1ccc([C@@H]2Cc3[nH]c(C(=O)OC4CCCCCCC4)c(C)c3C(=O)C2)cc1OC ZINC000001461221 555700569 /nfs/dbraw/zinc/70/05/69/555700569.db2.gz JWENHYRUZIPVAM-GOSISDBHSA-N 0 0 439.552 5.523 50 0 IKAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OC4CCCCCC4)c(C)c3C(=O)C2)cc1OC ZINC000001461232 555700573 /nfs/dbraw/zinc/70/05/73/555700573.db2.gz KCMMWZSGMDXQHY-KRWDZBQOSA-N 0 0 425.525 5.133 50 0 IKAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001465291 555700909 /nfs/dbraw/zinc/70/09/09/555700909.db2.gz HPZVIOGYOASEHO-UHFFFAOYSA-N 0 0 442.875 5.347 50 0 IKAARN COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000001474816 555701450 /nfs/dbraw/zinc/70/14/50/555701450.db2.gz JQDPLOFTEFJMDR-UHFFFAOYSA-N 0 0 431.608 5.187 50 0 IKAARN COc1cc(OC)nc(CSc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001501444 555702113 /nfs/dbraw/zinc/70/21/13/555702113.db2.gz VUEUUXGLWWGPBZ-UHFFFAOYSA-N 0 0 437.565 5.336 50 0 IKAARN CC(C)(C)c1cc2cc(NC3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]1 ZINC000001501483 555702202 /nfs/dbraw/zinc/70/22/02/555702202.db2.gz DYRXKWZTSNQALR-UHFFFAOYSA-N 0 0 443.513 6.201 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000001590779 555704903 /nfs/dbraw/zinc/70/49/03/555704903.db2.gz JZMRKILCTGGBRV-UHFFFAOYSA-N 0 0 433.664 6.527 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000001744608 555711757 /nfs/dbraw/zinc/71/17/57/555711757.db2.gz DCNOGGHCHPGGSZ-UHFFFAOYSA-N 0 0 427.360 6.237 50 0 IKAARN COC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000001748804 555712208 /nfs/dbraw/zinc/71/22/08/555712208.db2.gz WXISAZWKZOCFEC-HHHXNRCGSA-N 0 0 435.523 6.028 50 0 IKAARN COc1ccc(OC)c([C@@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)c1 ZINC000001749308 555712367 /nfs/dbraw/zinc/71/23/67/555712367.db2.gz JHJPYVDMUHWDAS-QHCPKHFHSA-N 0 0 435.501 6.353 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 ZINC000001754659 555712413 /nfs/dbraw/zinc/71/24/13/555712413.db2.gz BBZPBFPOVQBCKV-IBGZPJMESA-N 0 0 442.650 6.135 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc(Cl)c1 ZINC000001761410 555712836 /nfs/dbraw/zinc/71/28/36/555712836.db2.gz UNYABGOOWFFRNP-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000001768479 555712999 /nfs/dbraw/zinc/71/29/99/555712999.db2.gz USXNJYCANSWSLT-VIZOYTHASA-N 0 0 436.939 5.646 50 0 IKAARN COc1ccc([C@@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1OC ZINC000001767448 555713060 /nfs/dbraw/zinc/71/30/60/555713060.db2.gz LOLTYUHMRNYZGA-QHCPKHFHSA-N 0 0 435.501 6.353 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)c(C)c4)cc3)sc2c1 ZINC000001770638 555713329 /nfs/dbraw/zinc/71/33/29/555713329.db2.gz BKYRTSUSODSPTO-UHFFFAOYSA-N 0 0 430.573 6.721 50 0 IKAARN Cc1cc(I)ccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000001773666 555713650 /nfs/dbraw/zinc/71/36/50/555713650.db2.gz ICEVHCIHEKXOFR-UHFFFAOYSA-N 0 0 429.685 5.051 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CCCOc4ccc(Cl)cc4)cc3)sc2c1 ZINC000001773695 555713734 /nfs/dbraw/zinc/71/37/34/555713734.db2.gz QSPSZUDIFCUHGM-UHFFFAOYSA-N 0 0 436.964 6.723 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CCCC2 ZINC000001781101 555714620 /nfs/dbraw/zinc/71/46/20/555714620.db2.gz UVHZYKZHKXNPTF-UHFFFAOYSA-N 0 0 429.582 5.427 50 0 IKAARN COc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000001781934 555714657 /nfs/dbraw/zinc/71/46/57/555714657.db2.gz WFFRJNSZBYEHPO-UHFFFAOYSA-N 0 0 448.613 5.669 50 0 IKAARN O=c1cc(-c2cccc(I)c2)nc(-c2ccc(Cl)cc2Cl)o1 ZINC000001782510 555714870 /nfs/dbraw/zinc/71/48/70/555714870.db2.gz ZLSYNHICKIMTDY-UHFFFAOYSA-N 0 0 444.055 5.280 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 ZINC000001782969 555714951 /nfs/dbraw/zinc/71/49/51/555714951.db2.gz HKWXKCBKHOOIDF-UHFFFAOYSA-N 0 0 430.617 6.468 50 0 biogenic IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000001795857 555716275 /nfs/dbraw/zinc/71/62/75/555716275.db2.gz WXSYKZKRMRGNLX-UHFFFAOYSA-N 0 0 443.565 6.012 50 0 IKAARN Cc1c2ccc(OCc3c(Cl)cccc3Cl)cc2oc(=O)c1Cc1ccccc1 ZINC000001797588 555716657 /nfs/dbraw/zinc/71/66/57/555716657.db2.gz NJIOUMCCOWNBDM-UHFFFAOYSA-N 0 0 425.311 6.578 50 0 IKAARN COc1ccc(CSc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000001800150 555716992 /nfs/dbraw/zinc/71/69/92/555716992.db2.gz ASMPOFGXDKIZJP-UHFFFAOYSA-N 0 0 429.419 6.438 50 0 IKAARN CCOC(=O)c1cc(Oc2nnc(-c3ccccc3)c3ccccc32)cc(C(=O)OCC)c1 ZINC000001801654 555717021 /nfs/dbraw/zinc/71/70/21/555717021.db2.gz OXEUWXVIGYAZRD-UHFFFAOYSA-N 0 0 442.471 5.443 50 0 IKAARN Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(-c2ccccc2)c1Sc1ccccc1 ZINC000001802779 555717214 /nfs/dbraw/zinc/71/72/14/555717214.db2.gz XXQXSYHWROCESG-UHFFFAOYSA-N 0 0 430.598 6.639 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CC[C@@H](C)C2 ZINC000001807807 555717571 /nfs/dbraw/zinc/71/75/71/555717571.db2.gz NCHGDZJZOYOWBB-MRXNPFEDSA-N 0 0 443.609 5.673 50 0 IKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000001809670 555717752 /nfs/dbraw/zinc/71/77/52/555717752.db2.gz LIBHJKZSQHJSOP-UHFFFAOYSA-N 0 0 449.131 6.239 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)(C)C)sc2c1CCCC2 ZINC000001808235 555717757 /nfs/dbraw/zinc/71/77/57/555717757.db2.gz LIYRGLYHJLXZKC-UHFFFAOYSA-N 0 0 429.582 5.427 50 0 IKAARN CCOC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CC[C@H](C)C2 ZINC000001807819 555717767 /nfs/dbraw/zinc/71/77/67/555717767.db2.gz LHRXXQCOKPMEMX-KRWDZBQOSA-N 0 0 449.572 5.734 50 0 IKAARN CC(C)c1nc2sc3c(c2c(=O)n1N)C[C@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000001812424 555718118 /nfs/dbraw/zinc/71/81/18/555718118.db2.gz MHHNOAAPAKEYPH-UYAOXDASSA-N 0 0 433.602 5.415 50 0 IKAARN COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000001810626 555718170 /nfs/dbraw/zinc/71/81/70/555718170.db2.gz OMRXPKXOTFXCKQ-UHFFFAOYSA-N 0 0 447.579 6.672 50 0 IKAARN O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Cl)cc1)sc1c2CCCC1 ZINC000001836685 555719329 /nfs/dbraw/zinc/71/93/29/555719329.db2.gz KBNXJBFLGAIPOF-UHFFFAOYSA-N 0 0 439.005 6.272 50 0 IKAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000001835883 555719456 /nfs/dbraw/zinc/71/94/56/555719456.db2.gz GQXJLBJWMSZAJM-UFFVCSGVSA-N 0 0 425.818 5.542 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000001842694 555720067 /nfs/dbraw/zinc/72/00/67/555720067.db2.gz PERRIRTVKWYJSQ-UHFFFAOYSA-N 0 0 436.294 6.248 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4ccccc4c3)c3ccccc3n2)cc1 ZINC000001860242 555721221 /nfs/dbraw/zinc/72/12/21/555721221.db2.gz MQTCPCBBYHVMQK-UHFFFAOYSA-N 0 0 431.491 6.403 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001863736 555721507 /nfs/dbraw/zinc/72/15/07/555721507.db2.gz MZJGSDCGCQJUCT-MUUNZHRXSA-N 0 0 434.491 6.007 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 ZINC000001872844 555721882 /nfs/dbraw/zinc/72/18/82/555721882.db2.gz JIVHKINFMNVMCW-UHFFFAOYSA-N 0 0 427.931 6.071 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000001886773 555722661 /nfs/dbraw/zinc/72/26/61/555722661.db2.gz CCFBUWHMLIIGAS-JTQLQIEISA-N 0 0 428.337 5.126 50 0 IKAARN Cc1ccc(-c2csc3ncnc(Oc4ccc(OCc5ccccc5)cc4)c23)cc1C ZINC000001896026 555723259 /nfs/dbraw/zinc/72/32/59/555723259.db2.gz ODMDAFYGUTUCFT-UHFFFAOYSA-N 0 0 438.552 7.346 50 0 IKAARN CCc1ccc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001899978 555723522 /nfs/dbraw/zinc/72/35/22/555723522.db2.gz YQXFPPTWOAWGMF-UHFFFAOYSA-N 0 0 448.950 5.375 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4sc5ccccc5c4Cl)c3)oc2c(C)c1 ZINC000001902499 555723528 /nfs/dbraw/zinc/72/35/28/555723528.db2.gz GGDVABYLIABUAO-UHFFFAOYSA-N 0 0 446.959 7.540 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccccc1F ZINC000001911879 555724108 /nfs/dbraw/zinc/72/41/08/555724108.db2.gz YBTHUIJDRSQJTB-UHFFFAOYSA-N 0 0 429.929 5.882 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 ZINC000001910206 555724163 /nfs/dbraw/zinc/72/41/63/555724163.db2.gz DZRCEMCOTSBGGP-ACCUITESSA-N 0 0 427.422 5.945 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001909409 555724200 /nfs/dbraw/zinc/72/42/00/555724200.db2.gz PDZJYSPRKNTLAF-YHVDPYDOSA-N 0 0 446.012 6.381 50 0 IKAARN COc1cc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1 ZINC000001910201 555724221 /nfs/dbraw/zinc/72/42/21/555724221.db2.gz SREPFAOYUXPTTQ-WYMLVPIESA-N 0 0 427.422 5.945 50 0 IKAARN CC(C)OC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000001911882 555724440 /nfs/dbraw/zinc/72/44/40/555724440.db2.gz CEKKLOBWPVHSLK-NSHDSACASA-N 0 0 437.384 5.553 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000001913474 555724449 /nfs/dbraw/zinc/72/44/49/555724449.db2.gz JQDLXPFYAVGZGR-UHFFFAOYSA-N 0 0 425.966 6.051 50 0 IKAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1cccc(C(F)(F)F)c1 ZINC000001912378 555724460 /nfs/dbraw/zinc/72/44/60/555724460.db2.gz ROFAKCVCRYQKOC-UHFFFAOYSA-N 0 0 428.332 6.193 50 0 IKAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(Br)cc1 ZINC000001912366 555724470 /nfs/dbraw/zinc/72/44/70/555724470.db2.gz ZFFJMPMVQYWMRG-UHFFFAOYSA-N 0 0 439.231 5.936 50 0 IKAARN CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c2cccc3C(F)(F)F)cc1 ZINC000001912370 555724473 /nfs/dbraw/zinc/72/44/73/555724473.db2.gz KFZSRRXRKHXURV-UHFFFAOYSA-N 0 0 432.398 5.351 50 0 IKAARN Cc1ccc(C)c(Oc2coc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)c1 ZINC000001915083 555724641 /nfs/dbraw/zinc/72/46/41/555724641.db2.gz JABGSEPDPCPOHK-UHFFFAOYSA-N 0 0 441.310 7.088 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001921912 555725061 /nfs/dbraw/zinc/72/50/61/555725061.db2.gz WNUGHISEENSMLX-KRWDZBQOSA-N 0 0 435.589 6.481 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001946247 555725981 /nfs/dbraw/zinc/72/59/81/555725981.db2.gz FRPINBZZMRIMFW-CUXKMMBLSA-N 0 0 431.985 5.991 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001944542 555725999 /nfs/dbraw/zinc/72/59/99/555725999.db2.gz DFYWFTXMTIWCNU-CYBMUJFWSA-N 0 0 435.973 5.357 50 0 IKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1 ZINC000001953254 555726324 /nfs/dbraw/zinc/72/63/24/555726324.db2.gz ZFMOGJFPTAHULE-UHFFFAOYSA-N 0 0 430.323 5.607 50 0 IKAARN COc1cc(-c2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)ccc1OC(C)C ZINC000071889729 555726583 /nfs/dbraw/zinc/72/65/83/555726583.db2.gz QLOQOUMWPFXGIC-UHFFFAOYSA-N 0 0 428.916 5.282 50 0 IKAARN O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Nc1ccc(Cl)c(Cl)c1 ZINC000001977965 555726934 /nfs/dbraw/zinc/72/69/34/555726934.db2.gz KIVMJXQBEWXOOA-UHFFFAOYSA-N 0 0 440.282 5.784 50 0 IKAARN O=C(COc1ccc2oc(-c3ccco3)cc(=O)c2c1)Nc1ccccc1C(F)(F)F ZINC000001978237 555726956 /nfs/dbraw/zinc/72/69/56/555726956.db2.gz WYLBWLVDXBASDK-UHFFFAOYSA-N 0 0 429.350 5.089 50 0 IKAARN COc1cc(-c2cc(=O)c3cc(OCc4ccc(F)cc4)ccc3o2)cc(OC)c1OC ZINC000001978129 555726961 /nfs/dbraw/zinc/72/69/61/555726961.db2.gz GZJNOGQVVYHMGR-UHFFFAOYSA-N 0 0 436.435 5.204 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(C2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 ZINC000071889862 555726980 /nfs/dbraw/zinc/72/69/80/555726980.db2.gz XKGFGVHAGPZKCK-AWEZNQCLSA-N 0 0 436.405 5.464 50 0 IKAARN O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1ccccc1 ZINC000002027161 555728015 /nfs/dbraw/zinc/72/80/15/555728015.db2.gz UAPRIYMPGYZVFI-FQEVSTJZSA-N 0 0 432.829 5.410 50 0 aggregator IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 ZINC000002029536 555728063 /nfs/dbraw/zinc/72/80/63/555728063.db2.gz ALEMMUBMDBKIGM-UHFFFAOYSA-N 0 0 439.342 7.351 50 0 IKAARN CN(CC/C=C1/c2ccccc2CSc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000002049809 555728374 /nfs/dbraw/zinc/72/83/74/555728374.db2.gz VKQKHYFKXBMODB-RMORIDSASA-N 0 0 434.004 6.582 50 0 IKAARN O=C1N=C(N(c2ccccc2)c2ccccc2)S[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000002049894 555728399 /nfs/dbraw/zinc/72/83/99/555728399.db2.gz BRCJHIHROWEMMT-IZZNHLLZSA-N 0 0 434.564 6.979 50 0 IKAARN Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C(Cl)=CC(Cl)=CN23)cc1 ZINC000002050281 555728640 /nfs/dbraw/zinc/72/86/40/555728640.db2.gz QXUUFQZUEGXVGE-UHFFFAOYSA-N 0 0 428.163 5.493 50 0 IKAARN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1Cl ZINC000002050857 555728884 /nfs/dbraw/zinc/72/88/84/555728884.db2.gz OHWCDHZFOZCPEP-NDENLUEZSA-N 0 0 437.854 5.411 50 0 IKAARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(C(F)(F)F)c1 ZINC000002050890 555728894 /nfs/dbraw/zinc/72/88/94/555728894.db2.gz HLYQAFSDNUPVMM-RMKNXTFCSA-N 0 0 426.221 6.924 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1Cl ZINC000002050856 555728977 /nfs/dbraw/zinc/72/89/77/555728977.db2.gz OHWCDHZFOZCPEP-UDWIEESQSA-N 0 0 437.854 5.411 50 0 IKAARN O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000002053452 555729601 /nfs/dbraw/zinc/72/96/01/555729601.db2.gz LYCNQMPGSRAFSQ-GFCCVEGCSA-N 0 0 436.044 5.490 50 0 IKAARN O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054603 555729776 /nfs/dbraw/zinc/72/97/76/555729776.db2.gz DWHZGLDITSEUQS-CQSZACIVSA-N 0 0 446.976 6.185 50 0 IKAARN O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054613 555729789 /nfs/dbraw/zinc/72/97/89/555729789.db2.gz LYDRDSZKRCXKFF-CQSZACIVSA-N 0 0 446.976 6.185 50 0 IKAARN Cc1ccc(C(=O)N[C@H](Nc2cccc(Cl)c2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002054622 555729812 /nfs/dbraw/zinc/72/98/12/555729812.db2.gz MVKCPLBYZVXTRU-HNNXBMFYSA-N 0 0 426.558 5.840 50 0 IKAARN O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002054612 555729844 /nfs/dbraw/zinc/72/98/44/555729844.db2.gz LYDRDSZKRCXKFF-AWEZNQCLSA-N 0 0 446.976 6.185 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002054649 555730038 /nfs/dbraw/zinc/73/00/38/555730038.db2.gz VPQLRIJOOHBXQR-KRWDZBQOSA-N 0 0 434.194 6.176 50 0 IKAARN Cc1ccc(C(=O)N[C@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)cc1 ZINC000002054949 555730083 /nfs/dbraw/zinc/73/00/83/555730083.db2.gz IDSGSEPEHNMAIF-HNNXBMFYSA-N 0 0 425.665 5.552 50 0 IKAARN Cc1ccc(N[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)cc1C ZINC000002054644 555730086 /nfs/dbraw/zinc/73/00/86/555730086.db2.gz PQAGEJOCMKESJL-IBGZPJMESA-N 0 0 427.803 6.139 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](Nc2ccc3ccccc3c2)C(Cl)(Cl)Cl)cc1 ZINC000002054656 555730089 /nfs/dbraw/zinc/73/00/89/555730089.db2.gz UMHARGQXNAJHLK-NRFANRHFSA-N 0 0 449.809 6.676 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccc2ccccc21 ZINC000002055686 555730574 /nfs/dbraw/zinc/73/05/74/555730574.db2.gz XLOPDVKAVMAQQK-UHFFFAOYSA-N 0 0 443.300 6.663 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(Br)c1)Nc1ccccc1-2 ZINC000002056759 555730902 /nfs/dbraw/zinc/73/09/02/555730902.db2.gz YRIDBGQOEVFWGX-SFHVURJKSA-N 0 0 443.370 5.696 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000002056727 555730921 /nfs/dbraw/zinc/73/09/21/555730921.db2.gz DGWYCVADRUEHHE-UHFFFAOYSA-N 0 0 439.342 7.351 50 0 IKAARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNc1ccccc1 ZINC000002059368 555731448 /nfs/dbraw/zinc/73/14/48/555731448.db2.gz CIBQRUQEMXZYPG-AREMUKBSSA-N 0 0 432.567 6.757 50 0 IKAARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNc1cccc(C)c1 ZINC000002059370 555731456 /nfs/dbraw/zinc/73/14/56/555731456.db2.gz OZVOSKXDYGWQBI-MHZLTWQESA-N 0 0 446.594 7.065 50 0 IKAARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1OC ZINC000002060681 555731656 /nfs/dbraw/zinc/73/16/56/555731656.db2.gz ODPGCGPIGKKUPB-MHZLTWQESA-N 0 0 435.479 6.145 50 0 IKAARN Cc1c2c(n(Cc3ccccc3)c1-c1ccccc1)[C@H](c1ccc(C)cc1)Oc1ccccc1-2 ZINC000002060471 555731697 /nfs/dbraw/zinc/73/16/97/555731697.db2.gz ZXOZPEWXMVGWBG-YTTGMZPUSA-N 0 0 441.574 7.969 50 0 IKAARN O=C1C(Nc2ccc(F)cc2)=C[C@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000002061318 555731953 /nfs/dbraw/zinc/73/19/53/555731953.db2.gz IXMWLMVYJNUPNO-OAQYLSRUSA-N 0 0 441.275 5.811 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000002061025 555731997 /nfs/dbraw/zinc/73/19/97/555731997.db2.gz WSJJTFNXXGFMFU-HMAPJEAMSA-N 0 0 431.463 5.456 50 0 IKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCCCC3)c1 ZINC000002062105 555732153 /nfs/dbraw/zinc/73/21/53/555732153.db2.gz BFPPSKVWEQRDFC-UHFFFAOYSA-N 0 0 438.980 6.483 50 0 IKAARN C[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(=O)c2ccccc2)c1 ZINC000002061813 555732186 /nfs/dbraw/zinc/73/21/86/555732186.db2.gz YVIZRUUADPZGDZ-FQEVSTJZSA-N 0 0 432.519 6.377 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000002062260 555732309 /nfs/dbraw/zinc/73/23/09/555732309.db2.gz GIWSDBQYLFSDGS-UHFFFAOYSA-N 0 0 436.511 7.079 50 0 IKAARN CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O ZINC000002062752 555732507 /nfs/dbraw/zinc/73/25/07/555732507.db2.gz LPIMVSCXPSIWAR-UHFFFAOYSA-N 0 0 429.472 5.627 50 0 IKAARN CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002063567 555732792 /nfs/dbraw/zinc/73/27/92/555732792.db2.gz FHMFSAXHYBWGIS-MHZLTWQESA-N 0 0 443.930 5.867 50 0 IKAARN CCCCCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000002062975 555732821 /nfs/dbraw/zinc/73/28/21/555732821.db2.gz FNCVBJTUXAHJGO-UHFFFAOYSA-N 0 0 432.314 5.008 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccccc4C)c3C)oc2c(C)c1 ZINC000002064414 555733071 /nfs/dbraw/zinc/73/30/71/555733071.db2.gz AMBXTRKSZARDDV-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1C ZINC000002064418 555733108 /nfs/dbraw/zinc/73/31/08/555733108.db2.gz OGUSOTUVLNEPAI-UHFFFAOYSA-N 0 0 433.558 5.407 50 0 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443.930 6.466 50 0 IKAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002079534 555737250 /nfs/dbraw/zinc/73/72/50/555737250.db2.gz BYNKAGDKWLBJCD-UHFFFAOYSA-N 0 0 425.271 6.067 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cccc(Cl)c3n2)cc1 ZINC000002079593 555737283 /nfs/dbraw/zinc/73/72/83/555737283.db2.gz YTNJZCMUQLKWOQ-UHFFFAOYSA-N 0 0 433.866 6.042 50 0 IKAARN Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)OCC(=O)c1ccc(F)cc1 ZINC000002079604 555737295 /nfs/dbraw/zinc/73/72/95/555737295.db2.gz VCAJPSPCPGCDBS-UHFFFAOYSA-N 0 0 433.866 6.042 50 0 IKAARN O=C(OCc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002079630 555737468 /nfs/dbraw/zinc/73/74/68/555737468.db2.gz LIQTWPDYTJYEKL-UHFFFAOYSA-N 0 0 442.729 7.219 50 0 IKAARN Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)O[C@H](C)C(=O)c1ccccc1 ZINC000002079607 555737497 /nfs/dbraw/zinc/73/74/97/555737497.db2.gz DVSCMOBHVKYZFJ-QGZVFWFLSA-N 0 0 429.903 6.292 50 0 IKAARN O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1Cl ZINC000002079621 555737507 /nfs/dbraw/zinc/73/75/07/555737507.db2.gz MXRLTXKODKUGJY-UHFFFAOYSA-N 0 0 430.287 5.291 50 0 IKAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3cccc4ccccc43)c3ccccc3n2)cc1 ZINC000002079699 555737525 /nfs/dbraw/zinc/73/75/25/555737525.db2.gz GZMCPZIZLQXJRH-UHFFFAOYSA-N 0 0 447.490 6.103 50 0 IKAARN Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 ZINC000002079750 555737530 /nfs/dbraw/zinc/73/75/30/555737530.db2.gz NSDOSRPKXRXENT-LJQANCHMSA-N 0 0 428.963 6.971 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc3c(c2)-c2ccccc2C3=O)c2ccccc2)cc1 ZINC000002079707 555737540 /nfs/dbraw/zinc/73/75/40/555737540.db2.gz OKSKGMNQDGNZKG-MUUNZHRXSA-N 0 0 432.475 5.987 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1)c1ccccc1 ZINC000002079697 555737545 /nfs/dbraw/zinc/73/75/45/555737545.db2.gz ZIRLGCLCEAEBTC-UHFFFAOYSA-N 0 0 433.467 6.448 50 0 IKAARN Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3C)c2c1 ZINC000002079819 555737868 /nfs/dbraw/zinc/73/78/68/555737868.db2.gz LIZLZYOZKNYYFH-UHFFFAOYSA-N 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CCCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000002088324 555740487 /nfs/dbraw/zinc/74/04/87/555740487.db2.gz GXUCNLACTMFVFU-HIFRSBDPSA-N 0 0 435.277 5.380 50 0 IKAARN CCCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000002088323 555740551 /nfs/dbraw/zinc/74/05/51/555740551.db2.gz GXUCNLACTMFVFU-ZFWWWQNUSA-N 0 0 435.277 5.380 50 0 IKAARN CCCOc1cccc(C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)c1 ZINC000002088421 555740557 /nfs/dbraw/zinc/74/05/57/555740557.db2.gz VHJFLQULXCXQHG-UHFFFAOYSA-N 0 0 429.925 5.896 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002089613 555740801 /nfs/dbraw/zinc/74/08/01/555740801.db2.gz ZGICDRAJPWMEFV-UHFFFAOYSA-N 0 0 430.891 5.984 50 0 IKAARN CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)cc1 ZINC000002089000 555740811 /nfs/dbraw/zinc/74/08/11/555740811.db2.gz IQCHAZUYZXDYPQ-UHFFFAOYSA-N 0 0 431.333 6.479 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000002088687 555740836 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COc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000002093665 555741689 /nfs/dbraw/zinc/74/16/89/555741689.db2.gz OYUVGXYUJVOAQI-UHFFFAOYSA-N 0 0 432.745 6.302 50 0 IKAARN COc1ccc(NCc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000002093878 555741723 /nfs/dbraw/zinc/74/17/23/555741723.db2.gz LFMDYUDPIGOEOH-UHFFFAOYSA-N 0 0 442.353 5.966 50 0 IKAARN Cc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000002093989 555741754 /nfs/dbraw/zinc/74/17/54/555741754.db2.gz PBEBECYVKAGAMH-UHFFFAOYSA-N 0 0 432.361 7.102 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000002096025 555742287 /nfs/dbraw/zinc/74/22/87/555742287.db2.gz YRTZCRFGYWFVJU-UHFFFAOYSA-N 0 0 440.930 6.363 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)sc2c1 ZINC000002100466 555742376 /nfs/dbraw/zinc/74/23/76/555742376.db2.gz OPBCTKSLXYNJEW-UHFFFAOYSA-N 0 0 434.389 6.220 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(OCC)c1)Nc1ccccc1-2 ZINC000002096008 555742385 /nfs/dbraw/zinc/74/23/85/555742385.db2.gz 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ZINC000002104863 555742953 /nfs/dbraw/zinc/74/29/53/555742953.db2.gz RMLXMJDPQGBBHF-UHFFFAOYSA-N 0 0 445.540 6.396 50 0 IKAARN Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C(=O)OC(C)C)c1-c1cc(C)ccc1C ZINC000002103464 555742958 /nfs/dbraw/zinc/74/29/58/555742958.db2.gz FSBDFNIDHLBQJL-FGZHOGPDSA-N 0 0 447.600 6.648 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000002105143 555743147 /nfs/dbraw/zinc/74/31/47/555743147.db2.gz HXODMTNPWYILDP-HNNXBMFYSA-N 0 0 439.602 5.954 50 0 IKAARN CCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](c2ccccc2)C3)cs1 ZINC000002105093 555743186 /nfs/dbraw/zinc/74/31/86/555743186.db2.gz NZEICZBRXVEPDO-HNNXBMFYSA-N 0 0 425.575 5.683 50 0 IKAARN CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002105472 555743212 /nfs/dbraw/zinc/74/32/12/555743212.db2.gz VTCNZJRCJVMZSN-UHFFFAOYSA-N 0 0 434.344 6.459 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@@H](CC)C2 ZINC000002105199 555743226 /nfs/dbraw/zinc/74/32/26/555743226.db2.gz LWZLVXUOCRWAPO-GFCCVEGCSA-N 0 0 448.009 6.560 50 0 IKAARN CCCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000002107702 555743422 /nfs/dbraw/zinc/74/34/22/555743422.db2.gz DHWNQTFBZCGNLN-UHFFFAOYSA-N 0 0 434.344 6.541 50 0 IKAARN Cc1cc(C)cc(NC(C(=O)Nc2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)c1 ZINC000002105525 555743498 /nfs/dbraw/zinc/74/34/98/555743498.db2.gz CCQBJHGKCBEHAW-UHFFFAOYSA-N 0 0 448.610 7.421 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccc(CC)cc1 ZINC000002105480 555743538 /nfs/dbraw/zinc/74/35/38/555743538.db2.gz DCGGILYZBGVWGA-UHFFFAOYSA-N 0 0 441.980 6.758 50 0 IKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccc(Cl)cc1 ZINC000002107890 555743803 /nfs/dbraw/zinc/74/38/03/555743803.db2.gz JNVLGZKCCOBTKT-UHFFFAOYSA-N 0 0 448.371 6.849 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(COc2ccc(Cl)cc2Cl)c1 ZINC000002107915 555743818 /nfs/dbraw/zinc/74/38/18/555743818.db2.gz YNCFAZDROPZXEY-UHFFFAOYSA-N 0 0 441.141 7.132 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000002107733 555743896 /nfs/dbraw/zinc/74/38/96/555743896.db2.gz HQUCWWUOFDTBNB-MRXNPFEDSA-N 0 0 434.490 6.408 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1csc(C)c1-c1ccccc1 ZINC000002111400 555744103 /nfs/dbraw/zinc/74/41/03/555744103.db2.gz DUDRACBTKIDBDD-UHFFFAOYSA-N 0 0 447.581 6.881 50 0 IKAARN Cc1cccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccc(Br)cc32)c1 ZINC000002111049 555744154 /nfs/dbraw/zinc/74/41/54/555744154.db2.gz KUGSOTRDWGAOLN-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1sccc1C)N(C(=O)CC)c1ccccc1-2 ZINC000002114088 555744710 /nfs/dbraw/zinc/74/47/10/555744710.db2.gz WMVAYZJDNSBICX-HXUWFJFHSA-N 0 0 426.567 5.245 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1sccc1C)N(C(=O)CC)c1ccccc1-2 ZINC000002114090 555744719 /nfs/dbraw/zinc/74/47/19/555744719.db2.gz WMVAYZJDNSBICX-FQEVSTJZSA-N 0 0 426.567 5.245 50 0 IKAARN C[C@@H](CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000002114706 555744985 /nfs/dbraw/zinc/74/49/85/555744985.db2.gz GTTTUPHLIOHOKJ-CPNFVEHESA-N 0 0 446.635 5.629 50 0 IKAARN CCc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000002128570 555745925 /nfs/dbraw/zinc/74/59/25/555745925.db2.gz AGXQWGKFQFARSB-UHFFFAOYSA-N 0 0 440.399 7.096 50 0 IKAARN Cc1cccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)c1 ZINC000002128511 555745952 /nfs/dbraw/zinc/74/59/52/555745952.db2.gz GPWWRDIZMQSAOR-UHFFFAOYSA-N 0 0 441.987 7.342 50 0 IKAARN CCOc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 ZINC000002128658 555746342 /nfs/dbraw/zinc/74/63/42/555746342.db2.gz HVMLHYIYTZLRGC-UHFFFAOYSA-N 0 0 437.568 6.779 50 0 IKAARN Clc1ccc(-c2nnc(SCc3ccc4ccccc4c3)n2-c2ccccc2)cc1 ZINC000002128632 555746353 /nfs/dbraw/zinc/74/63/53/555746353.db2.gz GCRQROOVIWNEPX-UHFFFAOYSA-N 0 0 427.960 7.033 50 0 IKAARN CCOc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccncc2)cc1 ZINC000002128682 555746363 /nfs/dbraw/zinc/74/63/63/555746363.db2.gz GNCXMIHAIRMVDO-UHFFFAOYSA-N 0 0 432.549 5.208 50 0 IKAARN Cc1c(Cc2ccccc2)sc(NC(=O)C(c2ccccc2)c2ccccc2)c1C(N)=O ZINC000002134674 555746945 /nfs/dbraw/zinc/74/69/45/555746945.db2.gz YRRSIONGWGINRO-UHFFFAOYSA-N 0 0 440.568 5.517 50 0 IKAARN O=C(Oc1ccc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1)c1ccccc1 ZINC000002137494 555747565 /nfs/dbraw/zinc/74/75/65/555747565.db2.gz HBEBYPNFSIGDBT-NDENLUEZSA-N 0 0 438.266 5.557 50 0 IKAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(OC)cc1 ZINC000002137950 555747622 /nfs/dbraw/zinc/74/76/22/555747622.db2.gz PFSBXCNQABDDNW-RUZDIDTESA-N 0 0 440.503 5.079 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)sc2c1CCCC2 ZINC000002138411 555747846 /nfs/dbraw/zinc/74/78/46/555747846.db2.gz CISFUJIXBIRJDG-UHFFFAOYSA-N 0 0 443.952 6.278 50 0 IKAARN O=C(CSCc1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002142016 555748144 /nfs/dbraw/zinc/74/81/44/555748144.db2.gz YIPBTBFTRKTHPZ-UHFFFAOYSA-N 0 0 435.347 6.828 50 0 IKAARN FC(F)(F)c1sc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1-c1ccccc1 ZINC000002141872 555748160 /nfs/dbraw/zinc/74/81/60/555748160.db2.gz KHYUYGXNJUANBW-UHFFFAOYSA-N 0 0 440.368 7.170 50 0 IKAARN Cc1ccc(Sc2ncc(C(=O)OCc3ccc(Cl)cc3)c(C(F)(F)F)n2)cc1 ZINC000002142864 555748426 /nfs/dbraw/zinc/74/84/26/555748426.db2.gz VYPBZBVULDRGLY-UHFFFAOYSA-N 0 0 438.858 5.965 50 0 IKAARN Cc1cc(Nc2ccc(F)c(Cl)c2)nc(SCc2c(Cl)cccc2Cl)n1 ZINC000002144748 555748803 /nfs/dbraw/zinc/74/88/03/555748803.db2.gz YJAGAUJZPWGIOO-UHFFFAOYSA-N 0 0 428.747 6.920 50 0 IKAARN CC(=O)Nc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000002145623 555749022 /nfs/dbraw/zinc/74/90/22/555749022.db2.gz JSABYJROIMKRQN-UHFFFAOYSA-N 0 0 449.765 6.796 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000002148672 555749318 /nfs/dbraw/zinc/74/93/18/555749318.db2.gz KXLXNTDBYLAFKL-QFIPXVFZSA-N 0 0 443.534 6.852 50 0 IKAARN CCOP(=O)(OCC)/C(=C/Sc1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000002147308 555749357 /nfs/dbraw/zinc/74/93/57/555749357.db2.gz WJNVCKLEVCQDFF-NBVRZTHBSA-N 0 0 425.874 5.927 50 0 IKAARN O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)c1cccc(Cl)c1 ZINC000002148778 555749427 /nfs/dbraw/zinc/74/94/27/555749427.db2.gz GTSIPXNRJDWCBP-UHFFFAOYSA-N 0 0 427.957 6.071 50 0 IKAARN Nc1c2cc3c(nc2sc1C(=O)N(c1ccccc1)c1ccccc1)CCCCCC3 ZINC000002152667 555749978 /nfs/dbraw/zinc/74/99/78/555749978.db2.gz JCGNSKLGEMYFNW-UHFFFAOYSA-N 0 0 427.573 6.516 50 0 IKAARN Cc1cccc(-c2nnc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)o2)c1 ZINC000002154402 555750192 /nfs/dbraw/zinc/75/01/92/555750192.db2.gz IKGOWCDSENGFLD-UHFFFAOYSA-N 0 0 435.936 6.096 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](c4ccccc4)C4CCCC4)cc3)sc2c1 ZINC000002155388 555750243 /nfs/dbraw/zinc/75/02/43/555750243.db2.gz VACDVTDJXJHBRM-VWLOTQADSA-N 0 0 426.585 7.184 50 0 IKAARN CC(C)c1ccc(Nc2ncc(C(=O)OCc3ccc(Cl)cc3)c(C(F)(F)F)n2)cc1 ZINC000002154988 555750283 /nfs/dbraw/zinc/75/02/83/555750283.db2.gz PQCRCXJTOVZVLE-UHFFFAOYSA-N 0 0 449.860 6.373 50 0 IKAARN Clc1ccc(OCCSCc2nnc(SCc3ccccc3)o2)c(Cl)c1 ZINC000002158119 555750547 /nfs/dbraw/zinc/75/05/47/555750547.db2.gz AQMYXEQCVOSXKT-UHFFFAOYSA-N 0 0 427.378 5.981 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1Cl ZINC000002158828 555750615 /nfs/dbraw/zinc/75/06/15/555750615.db2.gz KECJEEBNMZZHJU-UHFFFAOYSA-N 0 0 436.125 6.666 50 0 IKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(-n2cccc2)c(Cl)c1 ZINC000002161295 555750940 /nfs/dbraw/zinc/75/09/40/555750940.db2.gz YEPNGNDYKZATBK-UHFFFAOYSA-N 0 0 434.537 6.997 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 ZINC000002162988 555751107 /nfs/dbraw/zinc/75/11/07/555751107.db2.gz LVWAGVJOWVQKCG-UHFFFAOYSA-N 0 0 445.544 5.719 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000002163047 555751199 /nfs/dbraw/zinc/75/11/99/555751199.db2.gz HCFUHKVHBIRNDO-UHFFFAOYSA-N 0 0 431.923 6.607 50 0 IKAARN CCN(CC)c1ccc(CCO[C@@](O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000002162089 555751204 /nfs/dbraw/zinc/75/12/04/555751204.db2.gz KVORXFSGFDCMRC-MHZLTWQESA-N 0 0 438.011 6.142 50 0 IKAARN O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1 ZINC000002163063 555751234 /nfs/dbraw/zinc/75/12/34/555751234.db2.gz UKUZZBAZDPHANL-UHFFFAOYSA-N 0 0 444.705 6.616 50 0 IKAARN CCCCc1ccc(NCN2C(=O)S/C(=C\c3ccc(OC)cc3OC)C2=O)cc1 ZINC000002166464 555751497 /nfs/dbraw/zinc/75/14/97/555751497.db2.gz VBVLSWRNPRGIMH-BKUYFWCQSA-N 0 0 426.538 5.152 50 0 IKAARN O=C(C[C@@H](c1ccccc1Cl)[C@@H]1CCCCCCC1=O)c1c(Cl)cccc1Cl ZINC000002171717 555752108 /nfs/dbraw/zinc/75/21/08/555752108.db2.gz PSMANHDZVUVACW-IRXDYDNUSA-N 0 0 437.794 7.543 50 0 IKAARN CCCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccc2ccccc21 ZINC000002170827 555752152 /nfs/dbraw/zinc/75/21/52/555752152.db2.gz LZCXDNFELKIANO-UHFFFAOYSA-N 0 0 434.992 7.780 50 0 IKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002177304 555752665 /nfs/dbraw/zinc/75/26/65/555752665.db2.gz PFRCVDFDQAASQQ-OVVICAPSSA-N 0 0 436.382 7.111 50 0 IKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002177305 555752749 /nfs/dbraw/zinc/75/27/49/555752749.db2.gz PFRCVDFDQAASQQ-OJVSJSBUSA-N 0 0 436.382 7.111 50 0 IKAARN Nc1ccccc1S[C@H](CC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000002178970 555753115 /nfs/dbraw/zinc/75/31/15/555753115.db2.gz AWHUPTMENPKGFY-MUUNZHRXSA-N 0 0 439.580 6.954 50 0 IKAARN CC(=O)CSc1ncnc2c1sc1nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000002180805 555753283 /nfs/dbraw/zinc/75/32/83/555753283.db2.gz ITMNJMGXFZNQHZ-UHFFFAOYSA-N 0 0 428.542 5.650 50 0 IKAARN Cc1cc(=O)oc2c(C)c3oc([C@@H](O)c4ccc(Cl)cc4)c(-c4ccccc4)c3cc12 ZINC000002180733 555753334 /nfs/dbraw/zinc/75/33/34/555753334.db2.gz PPWWPKYKEYCZQM-QHCPKHFHSA-N 0 0 430.887 6.558 50 0 IKAARN CC(C)n1nc(-c2ccccc2)c2c(nn(-c3cccc(Cl)c3)c2-c2ccccc2)c1=O ZINC000002181163 555753749 /nfs/dbraw/zinc/75/37/49/555753749.db2.gz GORPGKXVDCPGAN-UHFFFAOYSA-N 0 0 440.934 6.151 50 0 IKAARN Cc1sc2nc(SCc3ccc(F)cc3)nc(SCc3ccc(F)cc3)c2c1C ZINC000002181070 555753788 /nfs/dbraw/zinc/75/37/88/555753788.db2.gz QVLRGECQABFTIY-UHFFFAOYSA-N 0 0 444.597 7.171 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000002182393 555753924 /nfs/dbraw/zinc/75/39/24/555753924.db2.gz BRTFFAFGGXZTCI-CHWSQXEVSA-N 0 0 434.989 5.057 50 0 IKAARN Cc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1Cl ZINC000002181431 555753944 /nfs/dbraw/zinc/75/39/44/555753944.db2.gz XZTOCQDISRIPOT-UHFFFAOYSA-N 0 0 426.710 6.120 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000002182390 555753954 /nfs/dbraw/zinc/75/39/54/555753954.db2.gz BRTFFAFGGXZTCI-STQMWFEESA-N 0 0 434.989 5.057 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000002182396 555753988 /nfs/dbraw/zinc/75/39/88/555753988.db2.gz DPFNNDMADNIKOP-HNNXBMFYSA-N 0 0 428.598 5.899 50 0 IKAARN Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)c(C)c1 ZINC000002182009 555754006 /nfs/dbraw/zinc/75/40/06/555754006.db2.gz CTUUXVHMJMNMSX-UHFFFAOYSA-N 0 0 446.641 6.294 50 0 IKAARN CCC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 ZINC000002183500 555754553 /nfs/dbraw/zinc/75/45/53/555754553.db2.gz PLFJJXVLJSSGHX-DLBZAZTESA-N 0 0 443.609 5.971 50 0 IKAARN c1ccc(CN(Cc2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 ZINC000002183376 555754579 /nfs/dbraw/zinc/75/45/79/555754579.db2.gz ZFLICTOPDMYKNF-UHFFFAOYSA-N 0 0 438.574 7.991 50 0 IKAARN FC(F)(F)c1ccc(-c2nnc(-c3cnn(-c4ccccc4)c3-c3ccccc3)o2)cc1 ZINC000002183256 555754590 /nfs/dbraw/zinc/75/45/90/555754590.db2.gz UOKAPOCTXPXCAS-UHFFFAOYSA-N 0 0 432.405 6.275 50 0 IKAARN C[C@H](c1nn2c(COc3ccc(F)cc3)nnc2s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000002183231 555754601 /nfs/dbraw/zinc/75/46/01/555754601.db2.gz IYLRUJZDTMEBNN-HNNXBMFYSA-N 0 0 448.498 5.862 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 ZINC000002183509 555754648 /nfs/dbraw/zinc/75/46/48/555754648.db2.gz OVKOKCDSEVYHND-UHFFFAOYSA-N 0 0 442.650 6.279 50 0 IKAARN Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cccc2ccccc21 ZINC000002184380 555754947 /nfs/dbraw/zinc/75/49/47/555754947.db2.gz FOJBGKIQCAHXOM-UHFFFAOYSA-N 0 0 439.540 6.981 50 0 IKAARN CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000002184169 555754960 /nfs/dbraw/zinc/75/49/60/555754960.db2.gz NYYCNVQKPMNTBA-UHFFFAOYSA-N 0 0 447.556 5.834 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(C)cc4)o3)ccc21 ZINC000002184314 555755032 /nfs/dbraw/zinc/75/50/32/555755032.db2.gz HCKQPEIMNRKZHB-UHFFFAOYSA-N 0 0 442.544 5.904 50 0 IKAARN COc1ccc(-c2c(C)c3c(n2C2CCCCC2)[C@@H](c2ccccc2)Oc2ccccc2-3)cc1 ZINC000002186358 555755190 /nfs/dbraw/zinc/75/51/90/555755190.db2.gz XHRUYPXOOUKRPZ-WJOKGBTCSA-N 0 0 449.594 8.126 50 0 IKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1cccc(C)c1)C[C@H](C)CC2 ZINC000002185798 555755259 /nfs/dbraw/zinc/75/52/59/555755259.db2.gz RRFLRDKLDIIVQU-MRXNPFEDSA-N 0 0 434.561 5.695 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000002188698 555755893 /nfs/dbraw/zinc/75/58/93/555755893.db2.gz VUXKXFAVGDLRMW-STZFKDTASA-N 0 0 433.891 5.662 50 0 IKAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000002187928 555755919 /nfs/dbraw/zinc/75/59/19/555755919.db2.gz VWMLYCZFWZEQGS-QGZVFWFLSA-N 0 0 429.343 5.306 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)N2CCCCCC2)C1 ZINC000002190047 555756306 /nfs/dbraw/zinc/75/63/06/555756306.db2.gz WMTMXMWCMHYIHP-HNNXBMFYSA-N 0 0 431.001 5.795 50 0 IKAARN O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)c1cccc2ccccc21 ZINC000002190102 555756307 /nfs/dbraw/zinc/75/63/07/555756307.db2.gz XGDKQJPGCLAYEQ-UHFFFAOYSA-N 0 0 439.515 6.202 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3C)[C@@H]2c2ccccc2Cl)cc1C ZINC000002192789 555756593 /nfs/dbraw/zinc/75/65/93/555756593.db2.gz AKBHEZHCQDZOJK-GOTSBHOMSA-N 0 0 426.343 6.454 50 0 IKAARN c1ccc(Cc2nc3ccc(Cc4ccc5nc(Cc6ccccc6)oc5c4)cc3o2)cc1 ZINC000002197469 555757210 /nfs/dbraw/zinc/75/72/10/555757210.db2.gz GHSOGPYUELXNOB-UHFFFAOYSA-N 0 0 430.507 6.741 50 0 IKAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(F)c2)n1-c1ccccc1 ZINC000002203815 555757464 /nfs/dbraw/zinc/75/74/64/555757464.db2.gz HONQARCRTVQKHS-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1 ZINC000002201282 555757537 /nfs/dbraw/zinc/75/75/37/555757537.db2.gz MQJNLTAPUANPGD-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000002208786 555758054 /nfs/dbraw/zinc/75/80/54/555758054.db2.gz QKGKOVFMCBETPY-UHFFFAOYSA-N 0 0 438.553 5.098 50 0 IKAARN O=C(Nc1ccccc1)c1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002207100 555758074 /nfs/dbraw/zinc/75/80/74/555758074.db2.gz NGTIDCIZXFRPSX-OAQYLSRUSA-N 0 0 436.511 5.487 50 0 IKAARN Nc1c(Br)cc2oc(-c3ccccc3Br)nc2c1Br ZINC000002211299 555758271 /nfs/dbraw/zinc/75/82/71/555758271.db2.gz CUDLRNYZNURNKN-UHFFFAOYSA-N 0 0 446.924 5.365 50 0 IKAARN COc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000002212114 555758348 /nfs/dbraw/zinc/75/83/48/555758348.db2.gz UXZYNZOLLHPHAF-UHFFFAOYSA-N 0 0 436.895 5.791 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 ZINC000002214794 555758638 /nfs/dbraw/zinc/75/86/38/555758638.db2.gz 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ZINC000002219942 555759311 /nfs/dbraw/zinc/75/93/11/555759311.db2.gz YSWGDKRSXFQDEC-UHFFFAOYSA-N 0 0 425.872 5.414 50 0 IKAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000002219880 555759319 /nfs/dbraw/zinc/75/93/19/555759319.db2.gz FZXNJGNUJSVVFJ-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN CC(C)(C)c1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000002229991 555760182 /nfs/dbraw/zinc/76/01/82/555760182.db2.gz KUEFNEBNHVPUCL-UHFFFAOYSA-N 0 0 434.008 7.178 50 0 IKAARN CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(C)cc2)Nc2ccccc2S3)cc1 ZINC000002229096 555760297 /nfs/dbraw/zinc/76/02/97/555760297.db2.gz PIPQZGCKBICZDC-QHCPKHFHSA-N 0 0 426.541 5.644 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000002238636 555761190 /nfs/dbraw/zinc/76/11/90/555761190.db2.gz SAICGGKYUPGLIX-UHFFFAOYSA-N 0 0 442.902 7.223 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1c1nc2ccc(F)cc2s1 ZINC000002237767 555761205 /nfs/dbraw/zinc/76/12/05/555761205.db2.gz FETORBIUKSMCSN-SFHVURJKSA-N 0 0 434.473 5.353 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1c1nc2ccc(F)cc2s1 ZINC000002237769 555761214 /nfs/dbraw/zinc/76/12/14/555761214.db2.gz FETORBIUKSMCSN-GOSISDBHSA-N 0 0 434.473 5.353 50 0 IKAARN O=C(Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1)Nc1ccc(Cl)cc1Cl ZINC000002244535 555761801 /nfs/dbraw/zinc/76/18/01/555761801.db2.gz WTSDDKHOAGUVMS-UHFFFAOYSA-N 0 0 434.135 6.463 50 0 IKAARN O=C(Nc1ccccc1I)c1cc2sc3ccccc3c2s1 ZINC000002245753 555761955 /nfs/dbraw/zinc/76/19/55/555761955.db2.gz JNYHJAJFYIQWDZ-UHFFFAOYSA-N 0 0 435.311 5.973 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1Cc1ccc(Cl)cc1 ZINC000002251020 555762160 /nfs/dbraw/zinc/76/21/60/555762160.db2.gz VIMKROIOOBRTGF-HXUWFJFHSA-N 0 0 427.729 5.869 50 0 IKAARN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)c1 ZINC000002257768 555763141 /nfs/dbraw/zinc/76/31/41/555763141.db2.gz GFBMCDGOSJGVAI-UHFFFAOYSA-N 0 0 437.908 5.284 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2cccc(C)c2)sc2c3CCCC2)cc1 ZINC000002263213 555763802 /nfs/dbraw/zinc/76/38/02/555763802.db2.gz WLPZRSUSVTXCFX-UHFFFAOYSA-N 0 0 432.614 6.235 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)sc2c1 ZINC000002267582 555764130 /nfs/dbraw/zinc/76/41/30/555764130.db2.gz JKCMFDOAPZHHOD-UHFFFAOYSA-N 0 0 428.344 7.223 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(Br)cc3)sc1C(C)(C)N2 ZINC000002278235 555764967 /nfs/dbraw/zinc/76/49/67/555764967.db2.gz AORRBAZEIYMYHM-UHFFFAOYSA-N 0 0 447.423 6.757 50 0 IKAARN CC(C)c1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002277833 555765002 /nfs/dbraw/zinc/76/50/02/555765002.db2.gz XPDCXXLHFKVSRA-XMMPIXPASA-N 0 0 426.965 6.251 50 0 IKAARN CC(C)c1ccc([C@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002277834 555765003 /nfs/dbraw/zinc/76/50/03/555765003.db2.gz XPDCXXLHFKVSRA-DEOSSOPVSA-N 0 0 426.965 6.251 50 0 IKAARN COC(=O)c1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 ZINC000002280659 555765276 /nfs/dbraw/zinc/76/52/76/555765276.db2.gz XZJGLMLPACFWQM-UHFFFAOYSA-N 0 0 436.558 5.143 50 0 IKAARN CCc1cc2c(cc1OCc1c(Cl)cccc1Cl)occ(-c1nc(C)cs1)c2=O ZINC000002280576 555765299 /nfs/dbraw/zinc/76/52/99/555765299.db2.gz FMXGOXUJZMWMNT-UHFFFAOYSA-N 0 0 446.355 6.673 50 0 IKAARN CCOc1ccc(-n2cnc3scc(-c4ccc(Br)cc4)c3c2=O)cc1 ZINC000002286944 555765544 /nfs/dbraw/zinc/76/55/44/555765544.db2.gz ODKRPPURHXQTJQ-UHFFFAOYSA-N 0 0 427.323 5.275 50 0 IKAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002296774 555766234 /nfs/dbraw/zinc/76/62/34/555766234.db2.gz DGTGWXSSTQSPAY-HNNXBMFYSA-N 0 0 444.622 5.203 50 0 IKAARN CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@@H](C)C3 ZINC000002292462 555766300 /nfs/dbraw/zinc/76/63/00/555766300.db2.gz OHDCCNSZVWQWML-OAHLLOKOSA-N 0 0 438.622 5.502 50 0 IKAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)n1c2ccccc2c2ccccc21 ZINC000002302772 555766873 /nfs/dbraw/zinc/76/68/73/555766873.db2.gz XJTKBHQEQSQLFA-UHFFFAOYSA-N 0 0 445.547 6.837 50 0 IKAARN CN(C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)C1CCCCC1 ZINC000002301969 555766897 /nfs/dbraw/zinc/76/68/97/555766897.db2.gz YOAAQGYVTZAEBG-HOTGVXAUSA-N 0 0 440.897 5.602 50 0 IKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)cc4)c3)nc2c1 ZINC000002306659 555767219 /nfs/dbraw/zinc/76/72/19/555767219.db2.gz RYTFKFCDUDCDLD-UHFFFAOYSA-N 0 0 429.545 5.801 50 0 IKAARN COc1ccc(C(=CCl)c2ccc(OC)c(Br)c2)cc1Br ZINC000002308877 555767580 /nfs/dbraw/zinc/76/75/80/555767580.db2.gz QKPDIKZRVRZZKH-UHFFFAOYSA-N 0 0 432.539 5.857 50 0 IKAARN Brc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000002311692 555767702 /nfs/dbraw/zinc/76/77/02/555767702.db2.gz PXRVQOJGWRNAHW-UHFFFAOYSA-N 0 0 439.150 7.094 50 0 IKAARN COc1ccc(Cl)cc1Nc1nc(Cl)nc(Nc2cc(Cl)ccc2OC)n1 ZINC000002313015 555767884 /nfs/dbraw/zinc/76/78/84/555767884.db2.gz LDQMOSOVLOVANX-UHFFFAOYSA-N 0 0 426.691 5.336 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000002316179 555767937 /nfs/dbraw/zinc/76/79/37/555767937.db2.gz MFQKWYRDHPKTGP-UHFFFAOYSA-N 0 0 437.326 6.476 50 0 IKAARN COC(=O)c1cccc(Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000002317241 555768288 /nfs/dbraw/zinc/76/82/88/555768288.db2.gz QKKZPUHNDJUKOF-UHFFFAOYSA-N 0 0 434.293 5.590 50 0 IKAARN CC(C)(C)CC(C)(C)NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1 ZINC000002320857 555768314 /nfs/dbraw/zinc/76/83/14/555768314.db2.gz RKJIETPICAGKFI-UHFFFAOYSA-N 0 0 440.588 5.497 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 ZINC000002325414 555768584 /nfs/dbraw/zinc/76/85/84/555768584.db2.gz GDKWDQXPNJWAKI-UHFFFAOYSA-N 0 0 439.924 5.223 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccn2)cc1 ZINC000002324009 555768678 /nfs/dbraw/zinc/76/86/78/555768678.db2.gz QFQSMILHTBWXNN-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN Cc1ccc(OCc2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002325649 555768889 /nfs/dbraw/zinc/76/88/89/555768889.db2.gz YGJBCRDDJOTEBX-VMPITWQZSA-N 0 0 447.991 6.614 50 0 IKAARN Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2cnccn2)cc1 ZINC000002328245 555768970 /nfs/dbraw/zinc/76/89/70/555768970.db2.gz GKLCBXXOYSMTGY-UHFFFAOYSA-N 0 0 438.354 5.088 50 0 IKAARN Cc1cc(C)cc(NC2=C[C@H](c3cccc4ccccc43)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000002332099 555769269 /nfs/dbraw/zinc/76/92/69/555769269.db2.gz KIJUUHCEMHWADZ-GDLZYMKVSA-N 0 0 432.567 7.157 50 0 IKAARN Cc1ccc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)c(Br)c1 ZINC000002330206 555769318 /nfs/dbraw/zinc/76/93/18/555769318.db2.gz OVSZTAKJUBBNLK-UHFFFAOYSA-N 0 0 428.113 5.617 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000002333516 555769516 /nfs/dbraw/zinc/76/95/16/555769516.db2.gz MUVYTCGMICCBLY-HMAPJEAMSA-N 0 0 435.476 5.654 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(Br)c2)cc1 ZINC000002333486 555769538 /nfs/dbraw/zinc/76/95/38/555769538.db2.gz OFGVLPUNXHTUNN-UHFFFAOYSA-N 0 0 437.362 5.749 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002339669 555769923 /nfs/dbraw/zinc/76/99/23/555769923.db2.gz SUQJUFYNFMDDNM-UHFFFAOYSA-N 0 0 441.339 5.668 50 0 IKAARN Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)c1 ZINC000002338129 555769933 /nfs/dbraw/zinc/76/99/33/555769933.db2.gz HTGRUMGLOYFLIE-UHFFFAOYSA-N 0 0 429.947 7.515 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1Cl ZINC000002338317 555769962 /nfs/dbraw/zinc/76/99/62/555769962.db2.gz QEQAAJKJEJGXJB-UHFFFAOYSA-N 0 0 448.979 6.016 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 ZINC000002340874 555770144 /nfs/dbraw/zinc/77/01/44/555770144.db2.gz UKLLGBVAAYQXMK-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000002347117 555770909 /nfs/dbraw/zinc/77/09/09/555770909.db2.gz LDUZBDSWNMMUPY-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c(C)c1 ZINC000002350621 555771122 /nfs/dbraw/zinc/77/11/22/555771122.db2.gz FYAXBQBNMARVHZ-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000002350478 555771131 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O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000002371668 555773294 /nfs/dbraw/zinc/77/32/94/555773294.db2.gz YSTYPIXNUVPCML-UHFFFAOYSA-N 0 0 439.898 6.447 50 0 IKAARN COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)C(Cl)=C(Cl)Cl ZINC000002388148 555774913 /nfs/dbraw/zinc/77/49/13/555774913.db2.gz YGUZXGFWEDCSGS-UHFFFAOYSA-N 0 0 446.783 6.323 50 0 IKAARN Cc1ccccc1-c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000002389188 555774962 /nfs/dbraw/zinc/77/49/62/555774962.db2.gz ZAZGOEFTIBBARV-UHFFFAOYSA-N 0 0 447.329 5.797 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)n1 ZINC000002392966 555775332 /nfs/dbraw/zinc/77/53/32/555775332.db2.gz UKNMIFCGWGLNBT-QGZVFWFLSA-N 0 0 426.856 5.100 50 0 IKAARN Cc1sc2nc(SCc3c(F)cccc3Cl)n(Cc3ccco3)c(=O)c2c1C ZINC000002394863 555775548 /nfs/dbraw/zinc/77/55/48/555775548.db2.gz QMQBVSWSBLJOGG-UHFFFAOYSA-N 0 0 434.945 5.801 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000002395947 555775595 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COc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccc2)cc1 ZINC000002445854 555780187 /nfs/dbraw/zinc/78/01/87/555780187.db2.gz DCCQIRPWIIHVEI-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000002446503 555780212 /nfs/dbraw/zinc/78/02/12/555780212.db2.gz PPFAIIBDTAVMNB-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2ccco2)cc1 ZINC000002446570 555780220 /nfs/dbraw/zinc/78/02/20/555780220.db2.gz NHXPOZYDIPMSOB-UHFFFAOYSA-N 0 0 425.897 5.164 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)cc1 ZINC000002446921 555780605 /nfs/dbraw/zinc/78/06/05/555780605.db2.gz AXMOPMCGYWYOJW-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccc(C)c2)cc1 ZINC000002448397 555780781 /nfs/dbraw/zinc/78/07/81/555780781.db2.gz RWPFNJVREYKPNC-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccc(Cl)cc2)cc1 ZINC000002449999 555781094 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Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2cccs2)cc1 ZINC000002452925 555782072 /nfs/dbraw/zinc/78/20/72/555782072.db2.gz LUIIQOCFOJAPLV-UHFFFAOYSA-N 0 0 448.617 5.960 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000002453442 555782289 /nfs/dbraw/zinc/78/22/89/555782289.db2.gz PKMCCBXTOLZSPR-UHFFFAOYSA-N 0 0 428.561 5.789 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000002453881 555782327 /nfs/dbraw/zinc/78/23/27/555782327.db2.gz LUAPRJXKRSIEAG-UHFFFAOYSA-N 0 0 428.876 5.051 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccc(C)cc2)cc1 ZINC000002453843 555782379 /nfs/dbraw/zinc/78/23/79/555782379.db2.gz GJEALWLDZICCJG-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002453398 555782395 /nfs/dbraw/zinc/78/23/95/555782395.db2.gz QVCRQOWAWKPIHB-UHFFFAOYSA-N 0 0 449.967 5.276 50 0 IKAARN COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000002454374 555782570 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CCCCc1c(CCCC)c(-c2ccc(C(C)=O)s2)sc1-c1ccc(C(C)=O)s1 ZINC000002518943 555785531 /nfs/dbraw/zinc/78/55/31/555785531.db2.gz SNBKONQJUURSIS-UHFFFAOYSA-N 0 0 444.687 8.296 50 0 IKAARN O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 ZINC000002535235 555786366 /nfs/dbraw/zinc/78/63/66/555786366.db2.gz VCNBGYGQOSZQSO-HSZRJFAPSA-N 0 0 441.449 5.668 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002542286 555786738 /nfs/dbraw/zinc/78/67/38/555786738.db2.gz GFGLNWAAFCFTFI-DNQXCXABSA-N 0 0 426.907 5.453 50 0 IKAARN CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000002545395 555787007 /nfs/dbraw/zinc/78/70/07/555787007.db2.gz DXCHWXWXYPEZKM-UHFFFAOYSA-N 0 0 438.696 8.440 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000002550544 555787292 /nfs/dbraw/zinc/78/72/92/555787292.db2.gz HCPSULAMSSKFQO-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cccc(C)c3n2)cc1 ZINC000002577086 555788285 /nfs/dbraw/zinc/78/82/85/555788285.db2.gz LTFSILZVZQQSPN-UHFFFAOYSA-N 0 0 437.539 6.593 50 0 IKAARN CCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc21 ZINC000002577095 555788301 /nfs/dbraw/zinc/78/83/01/555788301.db2.gz KRYNCYFSBNJQAW-UHFFFAOYSA-N 0 0 432.745 6.665 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc12 ZINC000002584076 555788955 /nfs/dbraw/zinc/78/89/55/555788955.db2.gz YJQNUGCCZWGQLY-UHFFFAOYSA-N 0 0 435.858 6.320 50 0 IKAARN O=P(Nc1ccc(Cl)cc1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000002591127 555789178 /nfs/dbraw/zinc/78/91/78/555789178.db2.gz CBBLAYHZAWLHHA-UHFFFAOYSA-N 0 0 428.639 7.325 50 0 IKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1cc2ccccc2o1 ZINC000002594722 555789527 /nfs/dbraw/zinc/78/95/27/555789527.db2.gz MUBVPKZNJKZBTH-UHFFFAOYSA-N 0 0 429.526 5.836 50 0 IKAARN O=C(Sc1ccc(Oc2ccc(SC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000002595355 555789768 /nfs/dbraw/zinc/78/97/68/555789768.db2.gz NJHKNZLJWXEMIM-UHFFFAOYSA-N 0 0 442.561 7.344 50 0 IKAARN CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1 ZINC000034679802 555790406 /nfs/dbraw/zinc/79/04/06/555790406.db2.gz HFQZBAVTUSNIBW-UHFFFAOYSA-N 0 0 438.527 5.328 50 0 IKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCc3ccncc3)cc2)cc1 ZINC000034679829 555790673 /nfs/dbraw/zinc/79/06/73/555790673.db2.gz KKCDEJAHEDAZKQ-UHFFFAOYSA-N 0 0 449.554 5.096 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)Nc1cccc(F)c1 ZINC000034672403 555793639 /nfs/dbraw/zinc/79/36/39/555793639.db2.gz CCTAYDPIYXPCDL-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NCc1ccccn1 ZINC000034672439 555793673 /nfs/dbraw/zinc/79/36/73/555793673.db2.gz MRABFBAUHPGBPZ-UHFFFAOYSA-N 0 0 444.510 5.065 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000034675752 555794005 /nfs/dbraw/zinc/79/40/05/555794005.db2.gz HNBVXCCRBWXPAA-UHFFFAOYSA-N 0 0 447.966 5.624 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](SCc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000002672884 555797477 /nfs/dbraw/zinc/79/74/77/555797477.db2.gz FHUPQXSQJORPMC-GOSISDBHSA-N 0 0 430.828 6.344 50 0 IKAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002674861 555797669 /nfs/dbraw/zinc/79/76/69/555797669.db2.gz DNWBUPWVAVCEKM-UHFFFAOYSA-N 0 0 449.919 5.291 50 0 IKAARN Cc1ccc(C)c(N[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)c1 ZINC000002678301 555797762 /nfs/dbraw/zinc/79/77/62/555797762.db2.gz GMMXKHSIYZUCJA-LJQANCHMSA-N 0 0 427.803 6.139 50 0 IKAARN CC(C)c1ccc(-c2csc3ncnc(Nc4ccc(Cl)c(C(F)(F)F)c4)c23)cc1 ZINC000002680184 555798111 /nfs/dbraw/zinc/79/81/11/555798111.db2.gz AOVOJXONRLBXHP-UHFFFAOYSA-N 0 0 447.913 7.898 50 0 IKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1cccnc1 ZINC000002679566 555798166 /nfs/dbraw/zinc/79/81/66/555798166.db2.gz RHIDXRZHXOKBFA-UHFFFAOYSA-N 0 0 428.513 5.906 50 0 IKAARN O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002682444 555798419 /nfs/dbraw/zinc/79/84/19/555798419.db2.gz BAXBAZPJYLOHFG-FQEVSTJZSA-N 0 0 432.829 5.410 50 0 IKAARN COc1ccc(C(=O)N[C@@H](Nc2cc(Cl)ccc2Cl)C(=O)c2ccccc2)cc1 ZINC000002682440 555798424 /nfs/dbraw/zinc/79/84/24/555798424.db2.gz HHEQDUHMNROXTG-OAQYLSRUSA-N 0 0 429.303 5.053 50 0 IKAARN COc1ccccc1CN(C(=O)c1ccc(C)cc1)c1ccc(CC(=O)NCC(C)C)cc1 ZINC000034679732 555799116 /nfs/dbraw/zinc/79/91/16/555799116.db2.gz IIDAODKFRDLNAD-UHFFFAOYSA-N 0 0 444.575 5.165 50 0 IKAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccccc1Cl ZINC000002704515 555800734 /nfs/dbraw/zinc/80/07/34/555800734.db2.gz DKNDSXIPPGLYFM-NRFANRHFSA-N 0 0 435.838 5.037 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)cc1 ZINC000002729703 555803817 /nfs/dbraw/zinc/80/38/17/555803817.db2.gz QYZUYORGXVKJDC-UHFFFAOYSA-N 0 0 442.387 6.412 50 0 IKAARN S=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002732965 555805063 /nfs/dbraw/zinc/80/50/63/555805063.db2.gz DTCKDXNVGNPIPL-UHFFFAOYSA-N 0 0 447.007 5.984 50 0 IKAARN Fc1ccccc1Cn1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000002732947 555805080 /nfs/dbraw/zinc/80/50/80/555805080.db2.gz YETGJUWTIZZTDO-UHFFFAOYSA-N 0 0 430.552 5.470 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1Oc1ccccc1 ZINC000002734705 555805569 /nfs/dbraw/zinc/80/55/69/555805569.db2.gz RLAKCOFIWLREEV-UHFFFAOYSA-N 0 0 437.908 5.815 50 0 IKAARN Cc1cccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)c3ccccc3n2)c1 ZINC000002736485 555806179 /nfs/dbraw/zinc/80/61/79/555806179.db2.gz GRGVWADNHUHNSK-UHFFFAOYSA-N 0 0 431.333 6.533 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002736406 555806296 /nfs/dbraw/zinc/80/62/96/555806296.db2.gz GUTFELJOICBGKL-UHFFFAOYSA-N 0 0 437.724 6.570 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002736934 555806604 /nfs/dbraw/zinc/80/66/04/555806604.db2.gz OSUXWHONVFQZTG-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCc1cccc(C)c1 ZINC000002740006 555807053 /nfs/dbraw/zinc/80/70/53/555807053.db2.gz SORRSKZGPKQMHE-HZHRSRAPSA-N 0 0 427.500 5.626 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(Cl)c(Cl)c3)S2)cc1Cl ZINC000002739571 555807083 /nfs/dbraw/zinc/80/70/83/555807083.db2.gz PDYZICCHWFGBJS-HNNXBMFYSA-N 0 0 442.755 5.394 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)cc1 ZINC000002739963 555807162 /nfs/dbraw/zinc/80/71/62/555807162.db2.gz TUBHLDGJZKKRMN-UHFFFAOYSA-N 0 0 439.515 6.725 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000002741639 555807445 /nfs/dbraw/zinc/80/74/45/555807445.db2.gz PFNBLWWDZRTYFY-UHFFFAOYSA-N 0 0 436.433 6.490 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 ZINC000002742983 555807711 /nfs/dbraw/zinc/80/77/11/555807711.db2.gz QOUCQXFPQZKCTL-IBGZPJMESA-N 0 0 447.391 6.631 50 0 IKAARN C[C@H](c1ccccc1)n1cnc2c1c(=O)n(C1CCCCC1)c(=O)n2-c1ccccc1Cl ZINC000034694107 555809167 /nfs/dbraw/zinc/80/91/67/555809167.db2.gz AZQKPXGCJNWGNT-QGZVFWFLSA-N 0 0 448.954 5.117 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)cc3)c2C(N)=O)C1 ZINC000002747050 555809449 /nfs/dbraw/zinc/80/94/49/555809449.db2.gz VRJGVWYXHNXJON-OIQJVACTSA-N 0 0 426.582 5.049 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)cc3)c2C(N)=O)C1 ZINC000002747052 555809525 /nfs/dbraw/zinc/80/95/25/555809525.db2.gz VRJGVWYXHNXJON-WDBUWWRISA-N 0 0 426.582 5.049 50 0 IKAARN O=C(NCCCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000002749928 555810012 /nfs/dbraw/zinc/81/00/12/555810012.db2.gz ZYZNSDDSSCPPAG-UHFFFAOYSA-N 0 0 434.150 5.240 50 0 IKAARN O=C(Oc1ccccc1Br)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000002750385 555810078 /nfs/dbraw/zinc/81/00/78/555810078.db2.gz ZGMADDKBJLNPQW-UHFFFAOYSA-N 0 0 433.301 6.401 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002751611 555810401 /nfs/dbraw/zinc/81/04/01/555810401.db2.gz DKDYIJSFMIVGRT-FYJGNVAPSA-N 0 0 434.278 6.751 50 0 IKAARN CC[C@@H](SC1=NCCS1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002751191 555810414 /nfs/dbraw/zinc/81/04/14/555810414.db2.gz TWRAQIIPPMXMRM-QGZVFWFLSA-N 0 0 427.620 5.825 50 0 IKAARN CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCCCCCCCC3)c1 ZINC000002752449 555810637 /nfs/dbraw/zinc/81/06/37/555810637.db2.gz YYNHSHGVQASPQY-UHFFFAOYSA-N 0 0 443.609 6.405 50 0 IKAARN CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](c2ccccc2)C3)cc1 ZINC000002752499 555810649 /nfs/dbraw/zinc/81/06/49/555810649.db2.gz QVOFWBKHTGRAQB-IBGZPJMESA-N 0 0 449.572 5.848 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1cc(F)c(F)cc1Cl ZINC000002753506 555810968 /nfs/dbraw/zinc/81/09/68/555810968.db2.gz AOEXGAKKFZCTST-UHFFFAOYSA-N 0 0 438.927 5.437 50 0 IKAARN O=C(Nc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccccc1Cl ZINC000002756233 555811190 /nfs/dbraw/zinc/81/11/90/555811190.db2.gz VHETUTJOJLNRPY-UHFFFAOYSA-N 0 0 427.887 6.479 50 0 IKAARN Cc1c(C(=O)NCc2ccc(Cl)cc2Cl)c(-c2ccccc2)nn1-c1ccccc1 ZINC000002757145 555811455 /nfs/dbraw/zinc/81/14/55/555811455.db2.gz HBGQPSJLVILVDS-UHFFFAOYSA-N 0 0 436.342 6.085 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1cccs1 ZINC000002758198 555811786 /nfs/dbraw/zinc/81/17/86/555811786.db2.gz TVPMNFXHZWQXJJ-UHFFFAOYSA-N 0 0 428.535 5.108 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2F)c(C(=O)OC(C)C)c1-c1cc(C)ccc1C ZINC000002760121 555812057 /nfs/dbraw/zinc/81/20/57/555812057.db2.gz SYGVVAWSXIVEBZ-UHFFFAOYSA-N 0 0 425.525 6.297 50 0 IKAARN C[C@@H](NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)c1ccccc1 ZINC000034679976 555812824 /nfs/dbraw/zinc/81/28/24/555812824.db2.gz FXXCACPQGBXIQC-LJQANCHMSA-N 0 0 430.523 5.189 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC2CC2)cc1 ZINC000034680029 555813137 /nfs/dbraw/zinc/81/31/37/555813137.db2.gz FZMXKEZIRIAKBK-UHFFFAOYSA-N 0 0 430.523 5.050 50 0 IKAARN Cc1cccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)c1 ZINC000034680127 555813468 /nfs/dbraw/zinc/81/34/68/555813468.db2.gz NBMDCPGYOIXCHQ-SAPNQHFASA-N 0 0 438.571 5.310 50 0 IKAARN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)scc1-c1ccc(F)cc1 ZINC000002764568 555813761 /nfs/dbraw/zinc/81/37/61/555813761.db2.gz OYECJSRNMNVLGT-UHFFFAOYSA-N 0 0 445.924 6.461 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002764822 555813784 /nfs/dbraw/zinc/81/37/84/555813784.db2.gz QUCORNZMXHWOEZ-UHFFFAOYSA-N 0 0 447.332 6.315 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1c(F)cccc1F ZINC000002767086 555814047 /nfs/dbraw/zinc/81/40/47/555814047.db2.gz DFMGTUAXXDZSKJ-UHFFFAOYSA-N 0 0 443.515 6.420 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1-c1cccc(Cl)c1 ZINC000002766921 555814063 /nfs/dbraw/zinc/81/40/63/555814063.db2.gz LFHZFPDQYGNFEB-UHFFFAOYSA-N 0 0 435.879 6.084 50 0 IKAARN CCCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(F)cc1 ZINC000002767448 555814237 /nfs/dbraw/zinc/81/42/37/555814237.db2.gz ZUKSLEMREJJGPE-LJQANCHMSA-N 0 0 444.355 5.952 50 0 IKAARN O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1sc2ccccc2c1Cl ZINC000002767968 555814367 /nfs/dbraw/zinc/81/43/67/555814367.db2.gz LMCWWINRAMLTHT-UHFFFAOYSA-N 0 0 436.751 6.359 50 0 IKAARN CCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)c2C(=O)OC(C)C)cc1 ZINC000002768341 555814589 /nfs/dbraw/zinc/81/45/89/555814589.db2.gz VQSSTARZSFSZLT-UHFFFAOYSA-N 0 0 449.981 6.346 50 0 IKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C(N)=O ZINC000002768821 555814594 /nfs/dbraw/zinc/81/45/94/555814594.db2.gz VCKJSDZZVXDRQT-LLVKDONJSA-N 0 0 435.332 5.227 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc32)cc1 ZINC000002769783 555814898 /nfs/dbraw/zinc/81/48/98/555814898.db2.gz HFPGAFOCXXQQOR-QGZVFWFLSA-N 0 0 442.515 5.419 50 0 IKAARN Cc1c(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000002773349 555816433 /nfs/dbraw/zinc/81/64/33/555816433.db2.gz RKIPRXRAIRECJI-UHFFFAOYSA-N 0 0 440.528 5.013 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000002773988 555816811 /nfs/dbraw/zinc/81/68/11/555816811.db2.gz XRFJQBIWCOKLLM-UHFFFAOYSA-N 0 0 438.314 6.953 50 0 IKAARN Cc1sc(NC(=O)CC(C)C)c(C(=O)OC(C)C)c1-c1ccc(C2CCCCC2)cc1 ZINC000002773711 555816861 /nfs/dbraw/zinc/81/68/61/555816861.db2.gz QARYXZWXYQTFAC-UHFFFAOYSA-N 0 0 441.637 7.321 50 0 IKAARN O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000002774411 555817078 /nfs/dbraw/zinc/81/70/78/555817078.db2.gz IILRWMNLOIFPAB-UHFFFAOYSA-N 0 0 448.566 5.578 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1cccc(F)c1 ZINC000002775855 555817833 /nfs/dbraw/zinc/81/78/33/555817833.db2.gz HKWXUGBFBVHRAP-UHFFFAOYSA-N 0 0 444.459 5.016 50 0 IKAARN CCOc1ccc2nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)sc2c1 ZINC000002777106 555818420 /nfs/dbraw/zinc/81/84/20/555818420.db2.gz KGZUPCAICIUNHJ-UHFFFAOYSA-N 0 0 432.655 6.281 50 0 IKAARN COC(=O)c1c(NC(=O)c2c(F)cccc2Cl)sc2c1CC[C@H](c1ccccc1)C2 ZINC000002783219 555819922 /nfs/dbraw/zinc/81/99/22/555819922.db2.gz VVQQFMBPQUONEV-AWEZNQCLSA-N 0 0 443.927 5.852 50 0 IKAARN CC(C)Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)c3ccccc3n2)cc1 ZINC000002789235 555821335 /nfs/dbraw/zinc/82/13/35/555821335.db2.gz HOMOSJUSHOQRHI-UHFFFAOYSA-N 0 0 434.461 6.770 50 0 IKAARN CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccc(C)s1 ZINC000002797096 555822818 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O=C(NCc1ccco1)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1 ZINC000034713459 555826696 /nfs/dbraw/zinc/82/66/96/555826696.db2.gz DHRMYAIJDSZLBZ-UHFFFAOYSA-N 0 0 442.899 5.705 50 0 IKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(N(CC)CC)c(C)c3)sc2c1 ZINC000002808102 555826993 /nfs/dbraw/zinc/82/69/93/555826993.db2.gz YSOPXGMIYARIKO-UHFFFAOYSA-N 0 0 429.611 5.580 50 0 IKAARN COc1c(Cl)cc(Cl)cc1[C@H](Nc1ccccc1)P1(=O)OCC(C)(C)CO1 ZINC000002810200 555827037 /nfs/dbraw/zinc/82/70/37/555827037.db2.gz RAVBYZKZNMDXHZ-GOSISDBHSA-N 0 0 430.268 6.379 50 0 IKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)cc1C ZINC000002811402 555827213 /nfs/dbraw/zinc/82/72/13/555827213.db2.gz RVCKUEBYAAXIAI-UHFFFAOYSA-N 0 0 428.389 5.423 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3CC)cc2)cc1 ZINC000002811849 555827587 /nfs/dbraw/zinc/82/75/87/555827587.db2.gz RKLOGGFAOPOORT-OAQYLSRUSA-N 0 0 444.597 5.071 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3CC)cc2)cc1 ZINC000002811850 555827617 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CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000002817949 555829079 /nfs/dbraw/zinc/82/90/79/555829079.db2.gz INKSWCKZMIIBIE-UHFFFAOYSA-N 0 0 449.963 6.398 50 0 IKAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000002817833 555829142 /nfs/dbraw/zinc/82/91/42/555829142.db2.gz JNZRNQCFHFIPQC-UHFFFAOYSA-N 0 0 443.553 6.145 50 0 IKAARN O=C(Nc1cccc(Cl)c1)OCCOc1ccc(Br)cc1Br ZINC000002893392 555859983 /nfs/dbraw/zinc/85/99/83/555859983.db2.gz DODFEWLGLZNLHN-UHFFFAOYSA-N 0 0 449.526 5.493 50 0 IKAARN O=C1c2ccc(-c3nc4ccccc4s3)cc2C(=O)N1c1ccccc1-c1ccccc1 ZINC000002824066 555830746 /nfs/dbraw/zinc/83/07/46/555830746.db2.gz XYZDPVGZCYKLOD-UHFFFAOYSA-N 0 0 432.504 6.431 50 0 IKAARN CCOC(=O)[C@@H](Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)c1ccccc1 ZINC000002826274 555830969 /nfs/dbraw/zinc/83/09/69/555830969.db2.gz HCQSOJOBQLMFGW-SANMLTNESA-N 0 0 442.511 5.684 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(Cc3cccc(Br)c3)s2)cc1 ZINC000002828159 555831451 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O=C(Oc1ccccc1-c1ccccc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002836816 555833488 /nfs/dbraw/zinc/83/34/88/555833488.db2.gz CCQSWDWKETVGLD-VWLOTQADSA-N 0 0 447.490 5.167 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000002837659 555833784 /nfs/dbraw/zinc/83/37/84/555833784.db2.gz UHOYJCXFAOOEDT-UHFFFAOYSA-N 0 0 438.911 5.235 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000002838641 555834417 /nfs/dbraw/zinc/83/44/17/555834417.db2.gz MXHBKSZPZHYULX-SFTDATJTSA-N 0 0 448.636 5.357 50 0 IKAARN COc1ccc(-c2nc(N(C(=O)C3CCCCC3)c3cc(C)ccc3C)sc2C)cc1 ZINC000002839352 555834660 /nfs/dbraw/zinc/83/46/60/555834660.db2.gz UZOUHYIMVWOVJW-UHFFFAOYSA-N 0 0 434.605 6.989 50 0 IKAARN CC[C@H](C(=O)Nc1ccccc1C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000002839766 555834994 /nfs/dbraw/zinc/83/49/94/555834994.db2.gz NOOYIYYQDYJJRC-INIZCTEOSA-N 0 0 427.331 6.378 50 0 IKAARN CCC(=O)N(c1nc(-c2ccc(C)cc2)c(CC)s1)c1ccc(Br)cc1 ZINC000002839867 555835053 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ZINC000002852776 555840136 /nfs/dbraw/zinc/84/01/36/555840136.db2.gz NZDIZCXFCJVADF-UHFFFAOYSA-N 0 0 428.337 5.371 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(Br)cc1Cl ZINC000002852809 555840159 /nfs/dbraw/zinc/84/01/59/555840159.db2.gz OITFMHMSCVOGAK-UHFFFAOYSA-N 0 0 427.795 6.218 50 0 IKAARN Cc1cccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000002854577 555841042 /nfs/dbraw/zinc/84/10/42/555841042.db2.gz XCAGBSPTPYHLGG-UHFFFAOYSA-N 0 0 449.359 5.136 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1 ZINC000002855844 555841425 /nfs/dbraw/zinc/84/14/25/555841425.db2.gz IQINCBMHGWVJOT-UHFFFAOYSA-N 0 0 441.771 5.656 50 0 IKAARN CC(=O)c1ccc(NC(=O)Nc2nn(Cc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000002856076 555841646 /nfs/dbraw/zinc/84/16/46/555841646.db2.gz QNJQAPDUCYPWLV-UHFFFAOYSA-N 0 0 437.714 5.738 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nc2c1 ZINC000002856423 555841989 /nfs/dbraw/zinc/84/19/89/555841989.db2.gz WUAOFKXRFJFWRP-UHFFFAOYSA-N 0 0 449.963 6.398 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1Br ZINC000002857411 555842326 /nfs/dbraw/zinc/84/23/26/555842326.db2.gz FAWKOQDBLCUNCR-UHFFFAOYSA-N 0 0 443.753 6.632 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Br)cc1)c1cccs1 ZINC000002857124 555842374 /nfs/dbraw/zinc/84/23/74/555842374.db2.gz SUGDPRHZMMBTBN-UHFFFAOYSA-N 0 0 426.291 5.740 50 0 IKAARN CCCc1cc(=O)oc2cc(OCC(=O)c3ccc(N4CCCC4)cc3)c(Cl)cc12 ZINC000002857661 555842728 /nfs/dbraw/zinc/84/27/28/555842728.db2.gz MOHNNKNEYCBTEM-UHFFFAOYSA-N 0 0 425.912 5.261 50 0 IKAARN O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000002858029 555842758 /nfs/dbraw/zinc/84/27/58/555842758.db2.gz ZFATVQPVEINAGJ-UHFFFAOYSA-N 0 0 439.686 5.264 50 0 IKAARN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000002858226 555842968 /nfs/dbraw/zinc/84/29/68/555842968.db2.gz MOBYQVOTUFWKLD-UHFFFAOYSA-N 0 0 428.941 5.034 50 0 IKAARN COC(=O)c1cc(C)sc1NC(=S)Nc1cnn(Cc2cccc3ccccc32)c1 ZINC000002858406 555842988 /nfs/dbraw/zinc/84/29/88/555842988.db2.gz QHYYQPFUWDNWKO-UHFFFAOYSA-N 0 0 436.562 5.050 50 0 IKAARN S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Br)cc1Cl ZINC000002859206 555843572 /nfs/dbraw/zinc/84/35/72/555843572.db2.gz RPMZWFSDKFSDRI-UHFFFAOYSA-N 0 0 433.758 6.704 50 0 IKAARN COc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1 ZINC000002859359 555843594 /nfs/dbraw/zinc/84/35/94/555843594.db2.gz YBXFXDYQAPSUQP-DEOSSOPVSA-N 0 0 443.474 5.303 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000002859543 555843875 /nfs/dbraw/zinc/84/38/75/555843875.db2.gz ICPJGWPDUKVGFJ-QHCPKHFHSA-N 0 0 445.515 5.708 50 0 IKAARN Cc1ccc(-c2csc3nnc(SCC(=O)c4ccc(Cl)c(Cl)c4)n23)cc1 ZINC000002859566 555843878 /nfs/dbraw/zinc/84/38/78/555843878.db2.gz YUJIRHVKSWYQSK-UHFFFAOYSA-N 0 0 434.373 6.048 50 0 IKAARN O=C(NCc1ccncc1)c1csc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000034714268 555843890 /nfs/dbraw/zinc/84/38/90/555843890.db2.gz BMINRLRKHAMXBI-UHFFFAOYSA-N 0 0 435.936 5.368 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C3=O ZINC000002859624 555843903 /nfs/dbraw/zinc/84/39/03/555843903.db2.gz PXQIRZHPGKEDHZ-JOCHJYFZSA-N 0 0 433.866 5.639 50 0 IKAARN Cc1ccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)cc1 ZINC000002860554 555844136 /nfs/dbraw/zinc/84/41/36/555844136.db2.gz JQUOFAHAMJTJLC-UHFFFAOYSA-N 0 0 425.532 5.614 50 0 IKAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000002860724 555844157 /nfs/dbraw/zinc/84/41/57/555844157.db2.gz ZASBXOJIXJPOGE-UHFFFAOYSA-N 0 0 438.281 5.222 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002861175 555844501 /nfs/dbraw/zinc/84/45/01/555844501.db2.gz SIVHTQCYBPHQNA-UHFFFAOYSA-N 0 0 443.808 6.385 50 0 IKAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1Br ZINC000002861598 555844724 /nfs/dbraw/zinc/84/47/24/555844724.db2.gz SHANLZQGEGYUBX-UHFFFAOYSA-N 0 0 442.338 5.591 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C3=O ZINC000002861412 555844766 /nfs/dbraw/zinc/84/47/66/555844766.db2.gz CJYRVJJGGYMUFV-HSZRJFAPSA-N 0 0 447.893 5.948 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000002862025 555845075 /nfs/dbraw/zinc/84/50/75/555845075.db2.gz AHFYQTZUWQSAOS-UHFFFAOYSA-N 0 0 449.688 5.209 50 0 IKAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000002861722 555845086 /nfs/dbraw/zinc/84/50/86/555845086.db2.gz FAPYVMXLTWAPAT-UHFFFAOYSA-N 0 0 442.471 5.372 50 0 IKAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1-c1ccccc1 ZINC000002863183 555846079 /nfs/dbraw/zinc/84/60/79/555846079.db2.gz RJIRYASFRZMFIQ-UHFFFAOYSA-N 0 0 432.317 6.287 50 0 IKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccc(Cl)cc2)n1 ZINC000002864156 555846449 /nfs/dbraw/zinc/84/64/49/555846449.db2.gz WRSLIPXQKONKAR-UHFFFAOYSA-N 0 0 433.714 6.076 50 0 IKAARN O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc21 ZINC000002864977 555846712 /nfs/dbraw/zinc/84/67/12/555846712.db2.gz IMWOQDAGRSVWEC-UHFFFAOYSA-N 0 0 449.432 6.755 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000002864597 555846755 /nfs/dbraw/zinc/84/67/55/555846755.db2.gz XZWDULPMRHJMNI-UHFFFAOYSA-N 0 0 426.278 6.238 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002865553 555847065 /nfs/dbraw/zinc/84/70/65/555847065.db2.gz AGICJSPXSSLCTI-UHFFFAOYSA-N 0 0 446.979 5.786 50 0 IKAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000002865937 555847390 /nfs/dbraw/zinc/84/73/90/555847390.db2.gz XPVYJKLNXZSFDR-UHFFFAOYSA-N 0 0 433.129 5.806 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)NCc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 ZINC000002867806 555848173 /nfs/dbraw/zinc/84/81/73/555848173.db2.gz CINKLLISKZFIJB-UHFFFAOYSA-N 0 0 442.515 5.248 50 0 IKAARN COC(=O)c1sc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)nc1C ZINC000002868155 555848375 /nfs/dbraw/zinc/84/83/75/555848375.db2.gz PXKCJFAUZHFJPC-UHFFFAOYSA-N 0 0 437.908 5.359 50 0 IKAARN O=C(Nc1ccc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000002868358 555848470 /nfs/dbraw/zinc/84/84/70/555848470.db2.gz DVJHGSBAXNPPFF-UHFFFAOYSA-N 0 0 435.479 5.527 50 0 IKAARN CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000002868738 555848716 /nfs/dbraw/zinc/84/87/16/555848716.db2.gz XNCAWHBAYZBTBT-UHFFFAOYSA-N 0 0 442.338 5.449 50 0 IKAARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1c(F)cccc1Cl ZINC000002869112 555849051 /nfs/dbraw/zinc/84/90/51/555849051.db2.gz FRYFOFLKFUHESW-UHFFFAOYSA-N 0 0 435.882 6.477 50 0 IKAARN O=C(Nc1cccc(NC(=O)c2cccc3ccccc32)c1)c1ccc(Cl)cc1Cl ZINC000002869633 555849077 /nfs/dbraw/zinc/84/90/77/555849077.db2.gz CZSQRPXPNUQSNJ-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN COc1ccc(C(=O)C[C@H](Nc2ccc(Br)cc2)c2ccc(F)cc2)cc1 ZINC000002870247 555849374 /nfs/dbraw/zinc/84/93/74/555849374.db2.gz SXOSVRVHXGQOIJ-NRFANRHFSA-N 0 0 428.301 6.023 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002872144 555850466 /nfs/dbraw/zinc/85/04/66/555850466.db2.gz FFNFZSSTMZHQDB-OAQYLSRUSA-N 0 0 436.294 6.158 50 0 IKAARN CC(C)CSc1nnc2n1c(=O)c1c(n2CC(C)C)-c2ccccc2CC12CCCC2 ZINC000002872467 555850499 /nfs/dbraw/zinc/85/04/99/555850499.db2.gz MUYNDZBAVXBLFH-UHFFFAOYSA-N 0 0 436.625 5.330 50 0 IKAARN NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1ccccc1Cl ZINC000002872673 555850678 /nfs/dbraw/zinc/85/06/78/555850678.db2.gz WLTWNYAZQZJNJH-UHFFFAOYSA-N 0 0 425.724 5.727 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000002876503 555852510 /nfs/dbraw/zinc/85/25/10/555852510.db2.gz ROZYFGOVAZBFPI-UHFFFAOYSA-N 0 0 442.588 5.963 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002877087 555852916 /nfs/dbraw/zinc/85/29/16/555852916.db2.gz FIMVLMXRPUWPQY-UHFFFAOYSA-N 0 0 440.286 5.728 50 0 IKAARN CC(C)N(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1-c1ccccc1 ZINC000002877044 555852958 /nfs/dbraw/zinc/85/29/58/555852958.db2.gz AYINIDMYOHJILI-UHFFFAOYSA-N 0 0 431.923 6.108 50 0 IKAARN CSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002877699 555853287 /nfs/dbraw/zinc/85/32/87/555853287.db2.gz CQOTWNLGWCPCEL-UHFFFAOYSA-N 0 0 446.981 5.139 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3c12 ZINC000002878727 555853544 /nfs/dbraw/zinc/85/35/44/555853544.db2.gz LCLLFDFEJXZCJQ-UHFFFAOYSA-N 0 0 443.934 6.474 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3ccccc3Cl)c3cc(OC)c(OC)cc3c12 ZINC000002878729 555853558 /nfs/dbraw/zinc/85/35/58/555853558.db2.gz WXTDJGRMYUJORI-UHFFFAOYSA-N 0 0 443.934 6.474 50 0 IKAARN CCc1nn(-c2ccccc2)c2nc(-c3ccccc3OC)c3cc(OC)c(OC)cc3c12 ZINC000002878780 555853633 /nfs/dbraw/zinc/85/36/33/555853633.db2.gz BXIMWRZOVPPBPO-UHFFFAOYSA-N 0 0 439.515 5.829 50 0 IKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(C)cc(-c2ccccc2)n1 ZINC000002879576 555854295 /nfs/dbraw/zinc/85/42/95/555854295.db2.gz FCDLMTKEAQYUOJ-UHFFFAOYSA-N 0 0 441.578 5.038 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000002879635 555854303 /nfs/dbraw/zinc/85/43/03/555854303.db2.gz RSSGESVAMRVWAC-UHFFFAOYSA-N 0 0 441.778 5.408 50 0 IKAARN O=C(Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1cc2ccccc2o1 ZINC000002879754 555854319 /nfs/dbraw/zinc/85/43/19/555854319.db2.gz AQXHZUUKPUHOFL-UHFFFAOYSA-N 0 0 446.506 6.456 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Br ZINC000002880887 555854883 /nfs/dbraw/zinc/85/48/83/555854883.db2.gz VADWHJKMDQXKMJ-UHFFFAOYSA-N 0 0 443.263 5.329 50 0 IKAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(Br)cc1Cl ZINC000002880689 555854938 /nfs/dbraw/zinc/85/49/38/555854938.db2.gz JNJNHXMKZMHGHK-UHFFFAOYSA-N 0 0 449.757 5.391 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccccc3Br)cc2)cc1 ZINC000002880752 555855002 /nfs/dbraw/zinc/85/50/02/555855002.db2.gz VWCIIKFIHRAIFE-UHFFFAOYSA-N 0 0 440.293 5.067 50 0 IKAARN Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000002880983 555855226 /nfs/dbraw/zinc/85/52/26/555855226.db2.gz WPXIYVQUQGXIPO-UHFFFAOYSA-N 0 0 429.773 5.207 50 0 IKAARN O=C(OCc1ccccc1Br)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000002881092 555855296 /nfs/dbraw/zinc/85/52/96/555855296.db2.gz SBKPPMSLVMQOQP-UHFFFAOYSA-N 0 0 435.277 5.523 50 0 IKAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000002881506 555855588 /nfs/dbraw/zinc/85/55/88/555855588.db2.gz LYRAUQSMWHMREQ-UHFFFAOYSA-N 0 0 447.560 5.131 50 0 IKAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c1 ZINC000002882220 555856213 /nfs/dbraw/zinc/85/62/13/555856213.db2.gz BTBQHFPQSCBYMP-UHFFFAOYSA-N 0 0 436.577 5.590 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1OC ZINC000002883327 555856945 /nfs/dbraw/zinc/85/69/45/555856945.db2.gz TVLKQTQLVCNNOM-UHFFFAOYSA-N 0 0 432.520 5.655 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc2c(Br)cccc12 ZINC000002884539 555857211 /nfs/dbraw/zinc/85/72/11/555857211.db2.gz NWYHDIOBFSXQHV-UHFFFAOYSA-N 0 0 428.635 6.527 50 0 IKAARN COc1ccccc1NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000002884422 555857214 /nfs/dbraw/zinc/85/72/14/555857214.db2.gz IBCVOXBRDQLONX-UHFFFAOYSA-N 0 0 436.511 5.718 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3O)nc2c1 ZINC000002884670 555857563 /nfs/dbraw/zinc/85/75/63/555857563.db2.gz SDJQKPGZQUSKLU-UHFFFAOYSA-N 0 0 437.546 5.512 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc(OCC)c1OCC ZINC000002885368 555857770 /nfs/dbraw/zinc/85/77/70/555857770.db2.gz OUQKEIPSAOJUKU-UHFFFAOYSA-N 0 0 431.838 5.807 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2O)c(C)c1 ZINC000002885402 555857836 /nfs/dbraw/zinc/85/78/36/555857836.db2.gz ZLSYNFUARSUJRE-UHFFFAOYSA-N 0 0 448.523 5.127 50 0 IKAARN COc1ccc(-c2csc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1OC ZINC000002890975 555859509 /nfs/dbraw/zinc/85/95/09/555859509.db2.gz NZJOPEAJSQZEDS-UHFFFAOYSA-N 0 0 432.929 5.115 50 0 IKAARN COC(=O)c1c(NC(=O)CSCc2c(F)cccc2Cl)sc2c1CCCC2 ZINC000002890877 555859527 /nfs/dbraw/zinc/85/95/27/555859527.db2.gz CGHSLWRCCCKDCP-UHFFFAOYSA-N 0 0 427.950 5.078 50 0 IKAARN Cc1cccc([C@@H](Nc2cccc(C(F)(F)F)c2)P(=O)(OC(C)C)OC(C)C)c1 ZINC000002895754 555860232 /nfs/dbraw/zinc/86/02/32/555860232.db2.gz XGERLDMPTIOIMT-FQEVSTJZSA-N 0 0 429.419 7.168 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1Br ZINC000002894507 555860291 /nfs/dbraw/zinc/86/02/91/555860291.db2.gz SBMKVCBJPJXBQW-UHFFFAOYSA-N 0 0 439.334 5.987 50 0 IKAARN CC(C)c1ccc(N[C@@H](c2ccc(Br)cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000002895758 555860297 /nfs/dbraw/zinc/86/02/97/555860297.db2.gz UEIQKGORCSFFPI-IXWFPJNJSA-N 0 0 438.302 6.702 50 0 IKAARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC)cc2)C(=O)Nc2ccccc2)cc1 ZINC000002902321 555860860 /nfs/dbraw/zinc/86/08/60/555860860.db2.gz PSEOFUKMMDDFAT-NCELDCMTSA-N 0 0 444.531 5.284 50 0 IKAARN O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002906217 555861553 /nfs/dbraw/zinc/86/15/53/555861553.db2.gz ZYVRCHCLZFWGHI-UHFFFAOYSA-N 0 0 439.334 5.743 50 0 IKAARN CCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 ZINC000002906473 555861600 /nfs/dbraw/zinc/86/16/00/555861600.db2.gz CWMJBCQYMUQGIW-QFIPXVFZSA-N 0 0 430.533 5.706 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccccc1-2 ZINC000002906247 555861718 /nfs/dbraw/zinc/86/17/18/555861718.db2.gz DJADXVRYQJFBCC-HSZRJFAPSA-N 0 0 442.544 5.733 50 0 IKAARN CCCSc1nnc2c(n1)O[C@@H](c1c(OC)ccc3ccccc31)Nc1ccccc1-2 ZINC000002911096 555861950 /nfs/dbraw/zinc/86/19/50/555861950.db2.gz LVRVCZHBVDCBBH-QFIPXVFZSA-N 0 0 430.533 5.706 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 ZINC000002914385 555862300 /nfs/dbraw/zinc/86/23/00/555862300.db2.gz GTDFUCHOLJXYBK-SFHVURJKSA-N 0 0 433.364 6.241 50 0 IKAARN Fc1ccccc1[C@H]1C2C(=Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 ZINC000002917898 555863012 /nfs/dbraw/zinc/86/30/12/555863012.db2.gz FRNCNCJPTPYWKG-LEWJYISDSA-N 0 0 436.899 5.345 50 0 IKAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccccc3)C1[C@H](c1ccccc1Cl)O2 ZINC000002917974 555863020 /nfs/dbraw/zinc/86/30/20/555863020.db2.gz UNRBLJPOHDVRCY-RPWUZVMVSA-N 0 0 426.907 5.453 50 0 IKAARN CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)c3ccccc3n2)cc1 ZINC000002922130 555863508 /nfs/dbraw/zinc/86/35/08/555863508.db2.gz VWGKHXKYRYWMLQ-UHFFFAOYSA-N 0 0 439.540 6.471 50 0 IKAARN CCCCn1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)sc1c2CCCC1 ZINC000002924940 555863672 /nfs/dbraw/zinc/86/36/72/555863672.db2.gz DEFGMGKIJWZUNH-UHFFFAOYSA-N 0 0 447.025 5.765 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccc(OCc2ccccc2)c1 ZINC000002936930 555864445 /nfs/dbraw/zinc/86/44/45/555864445.db2.gz AEGCYRYGPKJIDJ-UHFFFAOYSA-N 0 0 436.467 6.032 50 0 IKAARN O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002947807 555865739 /nfs/dbraw/zinc/86/57/39/555865739.db2.gz UBHMVGIOAKPOJL-HXUWFJFHSA-N 0 0 432.829 5.410 50 0 IKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cc(Cl)ccc1Cl ZINC000002949016 555865810 /nfs/dbraw/zinc/86/58/10/555865810.db2.gz LVUTYEKQYRCEPB-UHFFFAOYSA-N 0 0 433.678 6.413 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1Cl ZINC000002950757 555865925 /nfs/dbraw/zinc/86/59/25/555865925.db2.gz QWRNSZPGPMVMEE-UHFFFAOYSA-N 0 0 442.327 5.928 50 0 IKAARN CCCCOc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1 ZINC000002951408 555866061 /nfs/dbraw/zinc/86/60/61/555866061.db2.gz QMTLZXQGLMJQNY-UHFFFAOYSA-N 0 0 429.685 5.376 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000002952313 555866370 /nfs/dbraw/zinc/86/63/70/555866370.db2.gz ARFKKGGMKRVLQY-UHFFFAOYSA-N 0 0 430.891 6.006 50 0 IKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1 ZINC000002954948 555866722 /nfs/dbraw/zinc/86/67/22/555866722.db2.gz XHXMOERYUSHCNZ-UHFFFAOYSA-N 0 0 432.288 5.521 50 0 IKAARN CCCOc1ccc(-c2ccc(-c3nc(Cc4ccc(OC)c(OC)c4)no3)cc2)cc1 ZINC000002957018 555866977 /nfs/dbraw/zinc/86/69/77/555866977.db2.gz HJDHGSSQSVMFKP-UHFFFAOYSA-N 0 0 430.504 5.800 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000002956661 555867044 /nfs/dbraw/zinc/86/70/44/555867044.db2.gz GTXIUFKUNHXFNB-UHFFFAOYSA-N 0 0 426.255 6.144 50 0 IKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000002956443 555867064 /nfs/dbraw/zinc/86/70/64/555867064.db2.gz IJAAEBPVNRLUHP-MWKZZOCJSA-N 0 0 441.530 5.924 50 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/nfs/dbraw/zinc/86/90/42/555869042.db2.gz HJNAYHLINUSSIT-UHFFFAOYSA-N 0 0 436.722 6.487 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002970413 555869269 /nfs/dbraw/zinc/86/92/69/555869269.db2.gz ZCVKDJODQZWLNO-UHFFFAOYSA-N 0 0 429.072 6.407 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nc2c1 ZINC000002970652 555869273 /nfs/dbraw/zinc/86/92/73/555869273.db2.gz WZBGTCSPJFLMKR-UHFFFAOYSA-N 0 0 432.932 7.178 50 0 IKAARN O=S(=O)(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccccc1 ZINC000002971588 555869389 /nfs/dbraw/zinc/86/93/89/555869389.db2.gz XVRCQDCQNUAFFU-UHFFFAOYSA-N 0 0 429.295 5.058 50 0 IKAARN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1cc(C)ccc1C ZINC000002972683 555869747 /nfs/dbraw/zinc/86/97/47/555869747.db2.gz REPUYHMKRKXJMJ-UHFFFAOYSA-N 0 0 429.383 6.394 50 0 IKAARN C[C@@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C)C2)c1ccccc1 ZINC000002974535 555870017 /nfs/dbraw/zinc/87/00/17/555870017.db2.gz YRIKZZWYEPYQQT-HZPDHXFCSA-N 0 0 436.552 5.755 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000002975238 555870027 /nfs/dbraw/zinc/87/00/27/555870027.db2.gz XKWCGGPGTKCIQH-UHFFFAOYSA-N 0 0 430.504 6.248 50 0 IKAARN COc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002977124 555870050 /nfs/dbraw/zinc/87/00/50/555870050.db2.gz HTGNMSBDWXDVSP-UHFFFAOYSA-N 0 0 425.297 5.077 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)Nc1ccc(F)cc1 ZINC000002978091 555870322 /nfs/dbraw/zinc/87/03/22/555870322.db2.gz QTIQZHMWYBXFPB-UHFFFAOYSA-N 0 0 429.329 5.920 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3O)nc2c1 ZINC000002978915 555870917 /nfs/dbraw/zinc/87/09/17/555870917.db2.gz XUOLECZDYJGDFF-UHFFFAOYSA-N 0 0 434.495 6.279 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 ZINC000002978912 555870946 /nfs/dbraw/zinc/87/09/46/555870946.db2.gz HHHKLNZWIHAFTL-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000002978652 555871014 /nfs/dbraw/zinc/87/10/14/555871014.db2.gz SEZDPQAJGJRTOU-UHFFFAOYSA-N 0 0 441.314 6.679 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4)ccc3o2)cc1 ZINC000002979150 555871180 /nfs/dbraw/zinc/87/11/80/555871180.db2.gz AUOZYDXSTFGBMG-UHFFFAOYSA-N 0 0 431.517 5.329 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1C ZINC000002979810 555871517 /nfs/dbraw/zinc/87/15/17/555871517.db2.gz HLXJFEXINWDEIW-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3C)oc2c(C)c1 ZINC000002979720 555871603 /nfs/dbraw/zinc/87/16/03/555871603.db2.gz BVJRWAPSYRPDHH-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1Cl ZINC000002980028 555871780 /nfs/dbraw/zinc/87/17/80/555871780.db2.gz FUGNMDSOZOAEFL-UHFFFAOYSA-N 0 0 427.287 6.371 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 ZINC000002980336 555871908 /nfs/dbraw/zinc/87/19/08/555871908.db2.gz AGTSBSJORXDPQR-UHFFFAOYSA-N 0 0 425.315 7.177 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)c(C)c1 ZINC000002980932 555872170 /nfs/dbraw/zinc/87/21/70/555872170.db2.gz UKYWWUPEPPNCQK-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1Cl ZINC000002981934 555872224 /nfs/dbraw/zinc/87/22/24/555872224.db2.gz SJKKJKKMPAOWNP-UHFFFAOYSA-N 0 0 439.949 5.449 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000002981988 555872531 /nfs/dbraw/zinc/87/25/31/555872531.db2.gz MBGYIYVXMIWSCA-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1cc(C)ccc1C ZINC000002981936 555872559 /nfs/dbraw/zinc/87/25/59/555872559.db2.gz KSHBBJYNQODYMN-UHFFFAOYSA-N 0 0 440.565 5.658 50 0 IKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4OC)cc3)nc2c1 ZINC000002982390 555872779 /nfs/dbraw/zinc/87/27/79/555872779.db2.gz TZLRSMHMKFIPKT-UHFFFAOYSA-N 0 0 431.517 5.193 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2C)cc1Cl ZINC000002983922 555873405 /nfs/dbraw/zinc/87/34/05/555873405.db2.gz PFPLMZADDUWRGQ-UHFFFAOYSA-N 0 0 434.923 6.724 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@@H](C(C)(C)C)CC2 ZINC000002983984 555873413 /nfs/dbraw/zinc/87/34/13/555873413.db2.gz VWPLYPGVDGYTKY-MJGOQNOKSA-N 0 0 438.637 6.166 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@H](C(C)(C)C)CC2 ZINC000002983986 555873415 /nfs/dbraw/zinc/87/34/15/555873415.db2.gz VWPLYPGVDGYTKY-IEBWSBKVSA-N 0 0 438.637 6.166 50 0 IKAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000002983615 555873439 /nfs/dbraw/zinc/87/34/39/555873439.db2.gz SJFZJEZPNHZTHW-UHFFFAOYSA-N 0 0 447.585 5.879 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N2CCCCC2)C1 ZINC000002984900 555873717 /nfs/dbraw/zinc/87/37/17/555873717.db2.gz SFRMKZKTEDBWKD-QGZVFWFLSA-N 0 0 442.600 5.917 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N2CCCCC2)C1 ZINC000002984899 555873775 /nfs/dbraw/zinc/87/37/75/555873775.db2.gz SFRMKZKTEDBWKD-KRWDZBQOSA-N 0 0 442.600 5.917 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c(Cl)c1 ZINC000002987662 555874294 /nfs/dbraw/zinc/87/42/94/555874294.db2.gz GFJARQHNYWJWNA-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3)nc2c1 ZINC000002986514 555874364 /nfs/dbraw/zinc/87/43/64/555874364.db2.gz QAHUVRLXUSYMCQ-UHFFFAOYSA-N 0 0 433.508 5.884 50 0 IKAARN Cc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1 ZINC000002991101 555874865 /nfs/dbraw/zinc/87/48/65/555874865.db2.gz SSPHAHKYPAJULC-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN C[C@@H](CNC(=O)/C=C/c1cccc2ccccc12)NC(=O)/C=C/c1cccc2ccccc12 ZINC000002991262 555875243 /nfs/dbraw/zinc/87/52/43/555875243.db2.gz FMKMLZUQCBYAAV-UUBDCECBSA-N 0 0 434.539 5.341 50 0 IKAARN Clc1cc(Br)ccc1OCCCCn1c2ccccc2c2ccccc21 ZINC000002993262 555875429 /nfs/dbraw/zinc/87/54/29/555875429.db2.gz IBSBQSPWATVCPJ-UHFFFAOYSA-N 0 0 428.757 7.070 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCCC2)C1 ZINC000002994670 555875750 /nfs/dbraw/zinc/87/57/50/555875750.db2.gz FFNIPPXLVHIUNS-MRXNPFEDSA-N 0 0 444.666 6.229 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)cc1 ZINC000002997739 555876612 /nfs/dbraw/zinc/87/66/12/555876612.db2.gz HVQCILAZYHNLQB-UHFFFAOYSA-N 0 0 434.495 6.274 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 ZINC000002998172 555876623 /nfs/dbraw/zinc/87/66/23/555876623.db2.gz UEMVYLGRUYBOAX-QGZVFWFLSA-N 0 0 448.979 5.557 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2ccc(Br)cc2)o1 ZINC000002998185 555876633 /nfs/dbraw/zinc/87/66/33/555876633.db2.gz FDYYHVZZCJWQON-UHFFFAOYSA-N 0 0 444.634 6.634 50 0 IKAARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002998306 555876920 /nfs/dbraw/zinc/87/69/20/555876920.db2.gz VGGICTCANFSHRO-UHFFFAOYSA-N 0 0 437.948 5.234 50 0 IKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000002998833 555876948 /nfs/dbraw/zinc/87/69/48/555876948.db2.gz FUNBGMKZBSSHRY-UHFFFAOYSA-N 0 0 445.569 5.613 50 0 IKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c(C)c1 ZINC000002999081 555877253 /nfs/dbraw/zinc/87/72/53/555877253.db2.gz RBKVTVWBRNDVEY-UHFFFAOYSA-N 0 0 433.964 6.180 50 0 IKAARN O=C(OCc1ccccc1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002998966 555877330 /nfs/dbraw/zinc/87/73/30/555877330.db2.gz LIOXOUYCJLFAKI-UHFFFAOYSA-N 0 0 437.300 5.118 50 0 IKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(Cl)c4)nc3c2)c1 ZINC000003000303 555877532 /nfs/dbraw/zinc/87/75/32/555877532.db2.gz JYRJIVQSHHNCRU-UHFFFAOYSA-N 0 0 436.895 6.198 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000002999528 555877539 /nfs/dbraw/zinc/87/75/39/555877539.db2.gz JGNMSYMVPHDNDY-UHFFFAOYSA-N 0 0 425.557 5.788 50 0 IKAARN O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc2c(c1)CCCC2 ZINC000003000262 555877596 /nfs/dbraw/zinc/87/75/96/555877596.db2.gz LYIXBXHVDKNYFZ-UHFFFAOYSA-N 0 0 429.339 5.353 50 0 IKAARN O=C(Nc1ccc(I)cc1)c1ccccc1SCc1ccccc1 ZINC000003001068 555877837 /nfs/dbraw/zinc/87/78/37/555877837.db2.gz ZVEDUDJQZAAGGF-UHFFFAOYSA-N 0 0 445.325 5.836 50 0 IKAARN CSc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000003001020 555877931 /nfs/dbraw/zinc/87/79/31/555877931.db2.gz VSLFXUMMCPVAAP-JOCHJYFZSA-N 0 0 444.585 6.056 50 0 IKAARN Cc1cccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)c1 ZINC000003001905 555877934 /nfs/dbraw/zinc/87/79/34/555877934.db2.gz VTEWSGGEYDEHOG-UHFFFAOYSA-N 0 0 446.934 5.372 50 0 IKAARN Cc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000003000933 555877950 /nfs/dbraw/zinc/87/79/50/555877950.db2.gz MPKYGHMHKFOJMT-UHFFFAOYSA-N 0 0 425.315 5.758 50 0 IKAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1ccc(F)cc1 ZINC000034734012 555878454 /nfs/dbraw/zinc/87/84/54/555878454.db2.gz VZFCAXOJSAQAFA-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN C[C@@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)C1=O ZINC000034734197 555878772 /nfs/dbraw/zinc/87/87/72/555878772.db2.gz RZXJUHLJPGOCPH-KRWDZBQOSA-N 0 0 435.474 5.610 50 0 IKAARN O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000003010872 555879086 /nfs/dbraw/zinc/87/90/86/555879086.db2.gz SDKCGTDOHNENAI-AWEZNQCLSA-N 0 0 446.976 6.185 50 0 IKAARN O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000003010870 555879118 /nfs/dbraw/zinc/87/91/18/555879118.db2.gz SDKCGTDOHNENAI-CQSZACIVSA-N 0 0 446.976 6.185 50 0 IKAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011675 555879286 /nfs/dbraw/zinc/87/92/86/555879286.db2.gz UZGOJTOBRWJVAI-QUCCMNQESA-N 0 0 444.457 5.421 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c3N2)cc1 ZINC000003012601 555879665 /nfs/dbraw/zinc/87/96/65/555879665.db2.gz WUMOCZDSOZCCRD-MOPGFXCFSA-N 0 0 448.876 6.066 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012858 555879943 /nfs/dbraw/zinc/87/99/43/555879943.db2.gz ABBREFQWGCYLPZ-GXTWGEPZSA-N 0 0 445.228 5.696 50 0 IKAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1Cl ZINC000003012895 555879963 /nfs/dbraw/zinc/87/99/63/555879963.db2.gz SJWWGBKWTLRJPC-XJKSGUPXSA-N 0 0 440.809 5.051 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012860 555879988 /nfs/dbraw/zinc/87/99/88/555879988.db2.gz QXMAFEYIHKQMRE-HIFRSBDPSA-N 0 0 445.228 5.696 50 0 IKAARN O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000003012857 555880011 /nfs/dbraw/zinc/88/00/11/555880011.db2.gz ABBREFQWGCYLPZ-JSGCOSHPSA-N 0 0 445.228 5.696 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000034734792 555880583 /nfs/dbraw/zinc/88/05/83/555880583.db2.gz PHLCOHLREJSPEK-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3ccc(NC(=O)Cc4cccs4)cc3)C2=O)c1 ZINC000034734808 555880587 /nfs/dbraw/zinc/88/05/87/555880587.db2.gz FSJANGDWRNJUOJ-UHFFFAOYSA-N 0 0 433.577 5.378 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000003016948 555880955 /nfs/dbraw/zinc/88/09/55/555880955.db2.gz ZVNYJXLZBOJFDN-QFIPXVFZSA-N 0 0 447.943 6.227 50 0 IKAARN CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000003017816 555881157 /nfs/dbraw/zinc/88/11/57/555881157.db2.gz HVEWGJFSYJPELD-ZDUSSCGKSA-N 0 0 433.986 5.452 50 0 IKAARN O=C(Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O)OCc1ccccc1 ZINC000034735049 555881168 /nfs/dbraw/zinc/88/11/68/555881168.db2.gz SKGLIVUCKQHVMZ-UHFFFAOYSA-N 0 0 449.938 5.921 50 0 IKAARN O=C(Cc1ccccc1)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003018968 555881214 /nfs/dbraw/zinc/88/12/14/555881214.db2.gz IGPJFBJOAHFODE-HNNXBMFYSA-N 0 0 427.542 5.427 50 0 IKAARN Cc1ccc2nc(-c3ccc(Br)c(NC(=O)c4ccccc4Cl)c3)oc2c1 ZINC000003030233 555882118 /nfs/dbraw/zinc/88/21/18/555882118.db2.gz XCUHBZKNYWSNEJ-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN O=S(=O)(Oc1cccc(C(F)(F)F)c1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000003045768 555882707 /nfs/dbraw/zinc/88/27/07/555882707.db2.gz OJBAUWKJVPWODN-UHFFFAOYSA-N 0 0 443.346 5.208 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000003083169 555884783 /nfs/dbraw/zinc/88/47/83/555884783.db2.gz RWCYEJKGIWDTQK-UHFFFAOYSA-N 0 0 438.393 6.045 50 0 IKAARN O=C(Nc1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)c1c(F)cccc1F ZINC000034735292 555885114 /nfs/dbraw/zinc/88/51/14/555885114.db2.gz PHCGHHQMIMGVGL-UHFFFAOYSA-N 0 0 439.437 5.189 50 0 IKAARN CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000003087765 555885189 /nfs/dbraw/zinc/88/51/89/555885189.db2.gz CYQIXHOAHFTYJM-UHFFFAOYSA-N 0 0 434.605 6.370 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4ccccc4Cl)c3)C2=O)c1 ZINC000034735540 555885478 /nfs/dbraw/zinc/88/54/78/555885478.db2.gz ZNKLTKNVTVGLDO-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)c4ccc(F)cc4)c3)C2=O)c1 ZINC000034735526 555885509 /nfs/dbraw/zinc/88/55/09/555885509.db2.gz VJBUQLVAPMNLLU-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)OCc4ccccc4)c3)C2=O)c1 ZINC000034735586 555885757 /nfs/dbraw/zinc/88/57/57/555885757.db2.gz BGVNAODEAXVWQE-UHFFFAOYSA-N 0 0 443.547 5.884 50 0 IKAARN COc1ccccc1C(=O)Nc1cccc(N2CCCN(Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000034735569 555885795 /nfs/dbraw/zinc/88/57/95/555885795.db2.gz VEOMCJMBWSLNNW-UHFFFAOYSA-N 0 0 443.547 5.397 50 0 IKAARN Cc1cc(C)cc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)c1 ZINC000034735571 555885807 /nfs/dbraw/zinc/88/58/07/555885807.db2.gz GPURATLYGFQYSV-UHFFFAOYSA-N 0 0 433.577 5.378 50 0 IKAARN Cc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034735920 555886100 /nfs/dbraw/zinc/88/61/00/555886100.db2.gz QRACWLZIJMXGNC-UHFFFAOYSA-N 0 0 427.976 5.855 50 0 IKAARN COc1ccc(C(=O)Nc2cc(C)ccc2N2CCCN([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000034736251 555886612 /nfs/dbraw/zinc/88/66/12/555886612.db2.gz HQIWADUBTLUHJK-FQEVSTJZSA-N 0 0 443.547 5.649 50 0 IKAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)cc1 ZINC000003100301 555886791 /nfs/dbraw/zinc/88/67/91/555886791.db2.gz IKJTYIHYWLCCEM-UHFFFAOYSA-N 0 0 446.894 5.039 50 0 IKAARN Cc1ccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c(NC(=O)c2ccco2)c1 ZINC000034736503 555887062 /nfs/dbraw/zinc/88/70/62/555887062.db2.gz YWVHJEZTZOIOCQ-UHFFFAOYSA-N 0 0 431.536 5.796 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)c4ccccc4Cl)c3)C2=O)c1 ZINC000034736841 555887271 /nfs/dbraw/zinc/88/72/71/555887271.db2.gz MMBMJRCBHRTZKY-UHFFFAOYSA-N 0 0 447.966 6.041 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)COc4ccccc4)c3)C2=O)c1 ZINC000034736872 555887397 /nfs/dbraw/zinc/88/73/97/555887397.db2.gz IEDTXGTVGHZQGI-UHFFFAOYSA-N 0 0 443.547 5.153 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)c4ccccc4F)c3)C2=O)c1 ZINC000034736849 555887452 /nfs/dbraw/zinc/88/74/52/555887452.db2.gz KDSIRXGBXOWAFS-UHFFFAOYSA-N 0 0 431.511 5.527 50 0 IKAARN O=C(Nc1ccccc1)c1cc2cc(Cc3ccccc3)cc(Br)c2oc1=O ZINC000003105132 555887640 /nfs/dbraw/zinc/88/76/40/555887640.db2.gz JIAMHAOYCQUJQU-UHFFFAOYSA-N 0 0 434.289 5.399 50 0 IKAARN Cc1ccccc1-n1c(=O)c2c(nc1SCCO)-c1ccccc1CC21CCCCC1 ZINC000003105261 555887718 /nfs/dbraw/zinc/88/77/18/555887718.db2.gz UUMQMYUHFJUMDS-UHFFFAOYSA-N 0 0 432.589 5.050 50 0 biogenic IKAARN Cc1ccc(NC(=O)Nc2cccc(N3CCCN(Cc4ccc(F)cc4)C3=O)c2)cc1 ZINC000034737175 555888020 /nfs/dbraw/zinc/88/80/20/555888020.db2.gz OLSAGZHOATUGFY-UHFFFAOYSA-N 0 0 432.499 5.610 50 0 IKAARN Cc1ccc(NC(=O)Nc2cc(C)ccc2N2CCCN([C@H](C)c3ccccc3)C2=O)cc1 ZINC000034737373 555888220 /nfs/dbraw/zinc/88/82/20/555888220.db2.gz JYLYELYJVTWMAE-OAQYLSRUSA-N 0 0 442.563 6.341 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)Nc4ccc(C)cc4)c3)C2=O)cc1 ZINC000034737187 555888253 /nfs/dbraw/zinc/88/82/53/555888253.db2.gz WENCMNSMYWVDMJ-UHFFFAOYSA-N 0 0 428.536 5.780 50 0 IKAARN Cc1ccc(NC(=O)Nc2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)cc1 ZINC000034737193 555888261 /nfs/dbraw/zinc/88/82/61/555888261.db2.gz JTKNMRRFPWKAGO-UHFFFAOYSA-N 0 0 432.499 5.610 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@@H](Cc1ccccc1)C(F)(F)F ZINC000003120283 555889083 /nfs/dbraw/zinc/88/90/83/555889083.db2.gz ONYWXUAJEZIGMA-HNNXBMFYSA-N 0 0 444.236 6.287 50 0 IKAARN Cc1cccc(C)c1-c1cc(-c2ccccc2)cc(-c2c(C)cccc2C)c1Br ZINC000003121941 555889090 /nfs/dbraw/zinc/88/90/90/555889090.db2.gz ZIKUJUIXXTZGDW-UHFFFAOYSA-N 0 0 441.412 8.684 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000003126641 555889682 /nfs/dbraw/zinc/88/96/82/555889682.db2.gz IKTXWQQRELEMCS-GZTJUZNOSA-N 0 0 428.669 5.707 50 0 IKAARN O=C(Oc1ccc(C2(c3ccc(OC(=O)c4ccco4)cc3)CCCC2)cc1)c1ccco1 ZINC000003130122 555890252 /nfs/dbraw/zinc/89/02/52/555890252.db2.gz UHWUQPRUDQHDGT-UHFFFAOYSA-N 0 0 442.467 6.171 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000003138502 555891179 /nfs/dbraw/zinc/89/11/79/555891179.db2.gz XWPRBQWBXPNDNJ-UHFFFAOYSA-N 0 0 442.220 6.937 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000003138499 555891187 /nfs/dbraw/zinc/89/11/87/555891187.db2.gz UOGKLNSMACOIGB-UHFFFAOYSA-N 0 0 441.327 6.649 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OC(=O)c1ccccc1 ZINC000003139354 555891443 /nfs/dbraw/zinc/89/14/43/555891443.db2.gz TYWKIYZKPQLUJJ-QFIPXVFZSA-N 0 0 448.544 5.099 50 0 IKAARN CC(C)(C)C(=O)C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 ZINC000003148501 555892400 /nfs/dbraw/zinc/89/24/00/555892400.db2.gz YGYLDJWYVFGZEW-UHFFFAOYSA-N 0 0 438.203 6.228 50 0 IKAARN Fc1cccc(Cl)c1CSc1nnc(SCc2c(F)cccc2Cl)s1 ZINC000003170009 555893936 /nfs/dbraw/zinc/89/39/36/555893936.db2.gz YQMXLDZSLXZDHU-UHFFFAOYSA-N 0 0 435.373 6.708 50 0 IKAARN CC(=O)N(c1ccccc1Cl)c1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 ZINC000003179306 555894792 /nfs/dbraw/zinc/89/47/92/555894792.db2.gz IYQMBIBGLYZJDO-UHFFFAOYSA-N 0 0 428.875 5.088 50 0 IKAARN CC[C@H](C)NC(=O)Nc1c(N)n(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(OC)cc1 ZINC000034785964 555896640 /nfs/dbraw/zinc/89/66/40/555896640.db2.gz DVGHGVQYNRXZEX-ZDUSSCGKSA-N 0 0 447.461 5.069 50 0 IKAARN CCCC1CCC(C2CCC(c3noc(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC000003208380 555898712 /nfs/dbraw/zinc/89/87/12/555898712.db2.gz MZYVCEABGZGUGC-UHFFFAOYSA-N 0 0 431.418 7.379 50 0 IKAARN CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)cc(C(C)(C)C)c1 ZINC000003216379 555899596 /nfs/dbraw/zinc/89/95/96/555899596.db2.gz HNUYPAOLEDNXRP-UHFFFAOYSA-N 0 0 446.385 5.840 50 0 IKAARN Fc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4cccc(F)c4)c3C2)cc1 ZINC000034755730 555900775 /nfs/dbraw/zinc/90/07/75/555900775.db2.gz WDVOHGSTIJAECI-UHFFFAOYSA-N 0 0 436.506 5.096 50 0 IKAARN Cc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4cccc(F)c4)c3C2)cc1 ZINC000034755724 555900840 /nfs/dbraw/zinc/90/08/40/555900840.db2.gz ATHMUXHLYPRZRR-UHFFFAOYSA-N 0 0 432.543 5.265 50 0 IKAARN Cc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4cccc(F)c4)c3C2)c1 ZINC000034756032 555901066 /nfs/dbraw/zinc/90/10/66/555901066.db2.gz JAVOLMQRBFCCBJ-UHFFFAOYSA-N 0 0 432.543 5.265 50 0 IKAARN Cc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2ccsc2)CC3)cc1 ZINC000034755984 555901079 /nfs/dbraw/zinc/90/10/79/555901079.db2.gz SVTKMKQGBKXDTQ-UHFFFAOYSA-N 0 0 434.609 5.433 50 0 IKAARN Cc1cccc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)c2ccccc2C)CC3)c1 ZINC000034757845 555902614 /nfs/dbraw/zinc/90/26/14/555902614.db2.gz PKZWZZNRXSEVAU-UHFFFAOYSA-N 0 0 442.563 5.075 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)C3CCCCC3)[C@@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813380 555910053 /nfs/dbraw/zinc/91/00/53/555910053.db2.gz VYJBJAIVMHLPPZ-IBGZPJMESA-N 0 0 447.579 5.301 50 0 IKAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccccc3)[C@@H](C)C1)=Nc1ccc(C)cc1O2 ZINC000034813368 555910088 /nfs/dbraw/zinc/91/00/88/555910088.db2.gz ZYNJQGLRTMEWBG-IBGZPJMESA-N 0 0 441.531 5.034 50 0 IKAARN COc1ccccc1C(=O)N1CCN(C2=Nc3ccccc3Oc3ccc(C)cc32)C[C@@H]1C ZINC000034813642 555910665 /nfs/dbraw/zinc/91/06/65/555910665.db2.gz KUOMKISYZPCDFM-IBGZPJMESA-N 0 0 441.531 5.034 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3cc(F)cc(F)c3)CC1)=N2 ZINC000034813760 555910674 /nfs/dbraw/zinc/91/06/74/555910674.db2.gz QTFXSJAXGWUPMC-UHFFFAOYSA-N 0 0 447.485 5.224 50 0 IKAARN CC(C)(C)NC(=O)N1CCN(C2=Nc3ccc(C(F)(F)F)cc3Oc3ccccc32)CC1 ZINC000034813989 555910688 /nfs/dbraw/zinc/91/06/88/555910688.db2.gz LWENHGJEOXGNOX-UHFFFAOYSA-N 0 0 446.473 5.015 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccc(C)cc4Oc4ccccc43)CC2)cc1 ZINC000034813937 555910707 /nfs/dbraw/zinc/91/07/07/555910707.db2.gz RJQACXXEZLCXKX-UHFFFAOYSA-N 0 0 426.520 5.337 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Nc3ccccc3F)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034814398 555910941 /nfs/dbraw/zinc/91/09/41/555910941.db2.gz GTQMSTAGWYHJJW-GOSISDBHSA-N 0 0 444.510 5.556 50 0 IKAARN COc1ccccc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccc(C)cc32)CC1 ZINC000034814371 555910977 /nfs/dbraw/zinc/91/09/77/555910977.db2.gz NKVNMAXKOHKUME-UHFFFAOYSA-N 0 0 442.519 5.037 50 0 IKAARN Cc1ccc2c(c1)C(N1CCN(C(=O)NCc3ccccc3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034814397 555911025 /nfs/dbraw/zinc/91/10/25/555911025.db2.gz PNQSSHFYKDOABH-FQEVSTJZSA-N 0 0 440.547 5.095 50 0 IKAARN CC(C)(C)c1ccc(Oc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)cc1 ZINC000003267671 555911360 /nfs/dbraw/zinc/91/13/60/555911360.db2.gz JMKUMZFOBCGLAM-UHFFFAOYSA-N 0 0 436.580 8.115 50 0 IKAARN O=C(c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)N1CCC(Cc2ccccc2)CC1 ZINC000034831062 555912317 /nfs/dbraw/zinc/91/23/17/555912317.db2.gz MYQMBYGHDCAXNR-UHFFFAOYSA-N 0 0 429.951 5.750 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCc2ccco2)cc1 ZINC000003274987 555912687 /nfs/dbraw/zinc/91/26/87/555912687.db2.gz ANOWGCKXSLFEHH-UHFFFAOYSA-N 0 0 428.897 5.341 50 0 IKAARN CCCN(CCC)C(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833748 555913296 /nfs/dbraw/zinc/91/32/96/555913296.db2.gz UDKFCOAEVXKCRP-UHFFFAOYSA-N 0 0 432.955 5.979 50 0 IKAARN COc1cccc(-c2cc(C(=O)NCCc3ccccc3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834019 555913507 /nfs/dbraw/zinc/91/35/07/555913507.db2.gz DVLMGCOKHXRVIM-UHFFFAOYSA-N 0 0 448.526 5.044 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833942 555913528 /nfs/dbraw/zinc/91/35/28/555913528.db2.gz BDEVQTPYAITZJR-UHFFFAOYSA-N 0 0 440.453 5.272 50 0 IKAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834182 555913547 /nfs/dbraw/zinc/91/35/47/555913547.db2.gz MSHGZUDLINDBJW-HNNXBMFYSA-N 0 0 434.927 5.254 50 0 IKAARN CCCCCCNC(=O)c1cc(-c2cccc(OC)c2)nc2cc(-c3ccccc3)nn21 ZINC000034834052 555913556 /nfs/dbraw/zinc/91/35/56/555913556.db2.gz TVIULAHCJGMIOC-UHFFFAOYSA-N 0 0 428.536 5.382 50 0 IKAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc21 ZINC000034836077 555914220 /nfs/dbraw/zinc/91/42/20/555914220.db2.gz DHRKESMNQGKFSQ-UHFFFAOYSA-N 0 0 442.515 5.105 50 0 IKAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)NCC3CCCCC3)cc21 ZINC000034836081 555914228 /nfs/dbraw/zinc/91/42/28/555914228.db2.gz JBVLCKAPDXPWBL-UHFFFAOYSA-N 0 0 432.564 5.154 50 0 IKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034795601 555917779 /nfs/dbraw/zinc/91/77/79/555917779.db2.gz VHVOWRMBPGLMEX-UHFFFAOYSA-N 0 0 442.268 6.607 50 0 IKAARN CC(C)(C)c1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000034796671 555918045 /nfs/dbraw/zinc/91/80/45/555918045.db2.gz KTTKSRPRJRNAFM-UHFFFAOYSA-N 0 0 442.485 6.914 50 0 IKAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000034796579 555918071 /nfs/dbraw/zinc/91/80/71/555918071.db2.gz DQKUBEPVHFTEKH-UHFFFAOYSA-N 0 0 446.429 5.634 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000034796959 555918078 /nfs/dbraw/zinc/91/80/78/555918078.db2.gz KOXHDMHWXOUKAM-DEOSSOPVSA-N 0 0 436.964 5.988 50 0 IKAARN COc1ccc(NC(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)n[nH]c2C2CC2)c(OC)c1 ZINC000034796662 555918108 /nfs/dbraw/zinc/91/81/08/555918108.db2.gz MPOBJQVRYRDOEX-UHFFFAOYSA-N 0 0 446.429 5.634 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000034797018 555918324 /nfs/dbraw/zinc/91/83/24/555918324.db2.gz BNRCIOAANQICQO-AREMUKBSSA-N 0 0 436.621 6.498 50 0 IKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000034796966 555918336 /nfs/dbraw/zinc/91/83/36/555918336.db2.gz HPHPSMNIZNAUSW-AREMUKBSSA-N 0 0 430.573 5.653 50 0 IKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000034796990 555918378 /nfs/dbraw/zinc/91/83/78/555918378.db2.gz NTIKVYIFGNKUKO-AREMUKBSSA-N 0 0 430.573 5.978 50 0 IKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2F)c1 ZINC000034797030 555918401 /nfs/dbraw/zinc/91/84/01/555918401.db2.gz SRSSJCYTBKODBO-RUZDIDTESA-N 0 0 434.536 5.980 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccccc3C(C)C)c2)cc1 ZINC000034797015 555918424 /nfs/dbraw/zinc/91/84/24/555918424.db2.gz SUFVQOZLCQDOPM-AREMUKBSSA-N 0 0 430.573 6.149 50 0 IKAARN COc1cc(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)ccc1OC(C)=O ZINC000034904460 555919025 /nfs/dbraw/zinc/91/90/25/555919025.db2.gz IUZYEWSHCISPBV-UHFFFAOYSA-N 0 0 427.378 6.115 50 0 IKAARN COc1ccc(-c2csc3nc(SC(F)F)n(-c4ccccc4)c(=O)c23)cc1OC ZINC000003325500 555920570 /nfs/dbraw/zinc/92/05/70/555920570.db2.gz PHDGCGXLLHVYOB-UHFFFAOYSA-N 0 0 446.500 5.446 50 0 IKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034907156 555920593 /nfs/dbraw/zinc/92/05/93/555920593.db2.gz KSPVDSVVBIFSDR-UHFFFAOYSA-N 0 0 431.367 5.323 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907718 555920979 /nfs/dbraw/zinc/92/09/79/555920979.db2.gz QAXICDYNZIVDLE-NRFANRHFSA-N 0 0 436.433 6.491 50 0 IKAARN O=C(CSc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907784 555920982 /nfs/dbraw/zinc/92/09/82/555920982.db2.gz AEFNGBPVKZDLBS-JOCHJYFZSA-N 0 0 432.520 6.090 50 0 IKAARN Cc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccc(C(C)(C)C)cc4)nc3c2)c1 ZINC000034907839 555921041 /nfs/dbraw/zinc/92/10/41/555921041.db2.gz DJQQQFGINZDOCB-RUZDIDTESA-N 0 0 438.571 7.078 50 0 IKAARN O=C(c1ccccc1Br)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907714 555921073 /nfs/dbraw/zinc/92/10/73/555921073.db2.gz QSPLELKGUSOHAH-NRFANRHFSA-N 0 0 447.332 6.235 50 0 IKAARN CCCCCc1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907690 555921091 /nfs/dbraw/zinc/92/10/91/555921091.db2.gz YBCHWJLBDULAGZ-AREMUKBSSA-N 0 0 438.571 7.205 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908089 555921209 /nfs/dbraw/zinc/92/12/09/555921209.db2.gz JZEDRYOGLUCGEN-NRFANRHFSA-N 0 0 438.861 6.404 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908000 555921319 /nfs/dbraw/zinc/92/13/19/555921319.db2.gz PDSATHJGNKBRMI-OAQYLSRUSA-N 0 0 438.861 6.404 50 0 IKAARN COc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4Cl)nc3c2)c1 ZINC000034907943 555921333 /nfs/dbraw/zinc/92/13/33/555921333.db2.gz QOZFTNHCXFRCJE-JOCHJYFZSA-N 0 0 432.907 6.134 50 0 IKAARN O=C(c1ccco1)N1CCC[C@H]1c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000034908201 555921498 /nfs/dbraw/zinc/92/14/98/555921498.db2.gz TXFDLTDQRIHINJ-SFHVURJKSA-N 0 0 426.394 6.084 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Cc4cccs4)nc3c2)cc1 ZINC000034908298 555921507 /nfs/dbraw/zinc/92/15/07/555921507.db2.gz YCBPTVRQIXTOBD-QFIPXVFZSA-N 0 0 431.561 5.529 50 0 IKAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)c1 ZINC000034908176 555921548 /nfs/dbraw/zinc/92/15/48/555921548.db2.gz CITNQTVNECLWNK-HSZRJFAPSA-N 0 0 446.478 5.628 50 0 IKAARN CCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908384 555921838 /nfs/dbraw/zinc/92/18/38/555921838.db2.gz QWMKGSSBSGKMJR-OAQYLSRUSA-N 0 0 444.497 7.148 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1 ZINC000034908484 555921866 /nfs/dbraw/zinc/92/18/66/555921866.db2.gz YDZWEZBJGITJHV-HSZRJFAPSA-N 0 0 429.495 6.565 50 0 IKAARN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908364 555921897 /nfs/dbraw/zinc/92/18/97/555921897.db2.gz UKVQYGUQGMZFRC-LJQANCHMSA-N 0 0 430.470 6.613 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908545 555921947 /nfs/dbraw/zinc/92/19/47/555921947.db2.gz JCPKJWWCZZCBPX-OAQYLSRUSA-N 0 0 437.421 6.281 50 0 IKAARN O=C(NC1CCCCC1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908652 555922104 /nfs/dbraw/zinc/92/21/04/555922104.db2.gz KKHIQWQEPPMUIJ-NRFANRHFSA-N 0 0 425.479 5.952 50 0 IKAARN COc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Nc4ccc(C)c(C)c4)nc3c2)c1 ZINC000034908645 555922126 /nfs/dbraw/zinc/92/21/26/555922126.db2.gz KTEGYUCXWMJLJP-DEOSSOPVSA-N 0 0 441.531 6.489 50 0 IKAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4cccc(F)c4)ccc3o2)cc1 ZINC000034908549 555922145 /nfs/dbraw/zinc/92/21/45/555922145.db2.gz NGKNSAAEJBAYAN-QHCPKHFHSA-N 0 0 445.494 6.402 50 0 IKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3cccc(Cl)c3)nc2c1 ZINC000034908566 555922159 /nfs/dbraw/zinc/92/21/59/555922159.db2.gz UMPMPVFZGGWNDS-QFIPXVFZSA-N 0 0 431.923 6.826 50 0 IKAARN O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908720 555922402 /nfs/dbraw/zinc/92/24/02/555922402.db2.gz IZUJJHJONASTTL-JOCHJYFZSA-N 0 0 433.458 5.820 50 0 IKAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908786 555922406 /nfs/dbraw/zinc/92/24/06/555922406.db2.gz YIKZEJONORSJLH-NRFANRHFSA-N 0 0 437.421 6.281 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908797 555922434 /nfs/dbraw/zinc/92/24/34/555922434.db2.gz TWEQQOGJNYXMMC-QHCPKHFHSA-N 0 0 429.495 6.565 50 0 IKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908735 555922453 /nfs/dbraw/zinc/92/24/53/555922453.db2.gz BHUJGKLJIZNSHL-QFIPXVFZSA-N 0 0 447.485 6.759 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)NC4CCCCC4)nc3c2)cc1 ZINC000034908839 555922667 /nfs/dbraw/zinc/92/26/67/555922667.db2.gz JJOAZCQZYWWIJG-HSZRJFAPSA-N 0 0 432.568 5.740 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccc(N(C)C)cc4)ccc3o2)cc1 ZINC000034908847 555922711 /nfs/dbraw/zinc/92/27/11/555922711.db2.gz WAPNQVQSXNUIDM-DEOSSOPVSA-N 0 0 440.547 6.238 50 0 IKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)Nc4ccccc4F)nc3c2)cc1 ZINC000034908851 555922735 /nfs/dbraw/zinc/92/27/35/555922735.db2.gz HDDMNHVYERVIIR-HSZRJFAPSA-N 0 0 444.510 6.069 50 0 IKAARN Cc1cccc(-n2nc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)nc2-c2ccco2)c1 ZINC000034911487 555923698 /nfs/dbraw/zinc/92/36/98/555923698.db2.gz GTQBUEBXNTXPKH-XMMPIXPASA-N 0 0 448.526 5.550 50 0 IKAARN CCCc1nc2ccc(NC(=O)NCC)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000034891165 555927255 /nfs/dbraw/zinc/92/72/55/555927255.db2.gz NCGMSTDXMSZUOR-UHFFFAOYSA-N 0 0 440.547 5.206 50 0 IKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccc(CC)cc3)ccc2oc1-c1ccccc1 ZINC000003368544 555927569 /nfs/dbraw/zinc/92/75/69/555927569.db2.gz MQBDHXLJTWJJJE-UHFFFAOYSA-N 0 0 449.528 5.640 50 0 IKAARN CCCc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc23)c1C(=O)OCC ZINC000003368349 555927627 /nfs/dbraw/zinc/92/76/27/555927627.db2.gz FKIFOXXXAHVBJY-UHFFFAOYSA-N 0 0 437.517 5.516 50 0 IKAARN COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc21 ZINC000003368407 555927686 /nfs/dbraw/zinc/92/76/86/555927686.db2.gz ZADWJPQMSQSWBU-UHFFFAOYSA-N 0 0 437.517 5.407 50 0 aggregator IKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@H](c1ccc(F)cc1)C2 ZINC000034898456 555927933 /nfs/dbraw/zinc/92/79/33/555927933.db2.gz OCWRMHKCFZQGLR-ZCYQVOJMSA-N 0 0 439.534 5.466 50 0 IKAARN C[C@H](NC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2)c1ccccc1 ZINC000034898941 555928234 /nfs/dbraw/zinc/92/82/34/555928234.db2.gz NOATTZFZJXYSQJ-NZQKXSOJSA-N 0 0 437.543 5.896 50 0 IKAARN C[C@H](NC(=O)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2)c1ccccc1 ZINC000034898939 555928376 /nfs/dbraw/zinc/92/83/76/555928376.db2.gz NOATTZFZJXYSQJ-REWPJTCUSA-N 0 0 437.543 5.896 50 0 IKAARN O=C(c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCCCC1 ZINC000034899094 555928508 /nfs/dbraw/zinc/92/85/08/555928508.db2.gz RAPWFAPVELKHNR-CYBMUJFWSA-N 0 0 445.407 5.277 50 0 IKAARN CC[C@H](C)NC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899089 555928523 /nfs/dbraw/zinc/92/85/23/555928523.db2.gz DQWUGPQYKYJXCD-NWDGAFQWSA-N 0 0 433.396 5.179 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N[C@H](C)C(C)(C)C)cc2)n1 ZINC000034899308 555928915 /nfs/dbraw/zinc/92/89/15/555928915.db2.gz DIKMAGRWQSZVKO-LJQANCHMSA-N 0 0 447.579 5.497 50 0 IKAARN CCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902040 555929306 /nfs/dbraw/zinc/92/93/06/555929306.db2.gz JUPAYEIBQIXKDT-UHFFFAOYSA-N 0 0 429.486 5.816 50 0 IKAARN CCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901466 555929405 /nfs/dbraw/zinc/92/94/05/555929405.db2.gz FVZADOZGWYWSRO-UHFFFAOYSA-N 0 0 441.375 5.538 50 0 IKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034914980 555929869 /nfs/dbraw/zinc/92/98/69/555929869.db2.gz VZIIEXIZFRBZIM-UHFFFAOYSA-N 0 0 431.364 5.859 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c(-c3cccc(F)c3F)nc3cc(C)ccn32)cc1 ZINC000034914953 555929959 /nfs/dbraw/zinc/92/99/59/555929959.db2.gz TUQHLPFHULOVAP-UHFFFAOYSA-N 0 0 435.474 6.019 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)Cc3ccccc3)c2)n(-c2ccccc2C)n1 ZINC000034915856 555930345 /nfs/dbraw/zinc/93/03/45/555930345.db2.gz GGNSSZPPMBICPR-UHFFFAOYSA-N 0 0 439.515 5.206 50 0 IKAARN CC(C)c1ccc(N2C[C@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000034917765 555930817 /nfs/dbraw/zinc/93/08/17/555930817.db2.gz DIKIKFGTDJEWED-AREMUKBSSA-N 0 0 440.587 5.434 50 0 IKAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)CCC2CCCC2)ccc1N1CCCC[C@@H]1C ZINC000034919694 555931206 /nfs/dbraw/zinc/93/12/06/555931206.db2.gz PUNOPRWDKAFTMQ-OALUTQOASA-N 0 0 449.661 5.051 50 0 IKAARN CCCN(Cc1cc(NC(=O)Cc2ccccc2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000034921607 555932090 /nfs/dbraw/zinc/93/20/90/555932090.db2.gz ROKQGOSRTYXFKE-UHFFFAOYSA-N 0 0 447.554 5.125 50 0 IKAARN Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)NCc2ccccc2F)cc1 ZINC000034922125 555932606 /nfs/dbraw/zinc/93/26/06/555932606.db2.gz MXPXJYNECJQRKF-UHFFFAOYSA-N 0 0 426.495 5.289 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922148 555932669 /nfs/dbraw/zinc/93/26/69/555932669.db2.gz FIJJDBOQLKBDKT-UHFFFAOYSA-N 0 0 438.502 6.361 50 0 IKAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@H]2c2cccc(C)c2)cc1 ZINC000034924110 555932891 /nfs/dbraw/zinc/93/28/91/555932891.db2.gz FWJCVCPJDOAHQN-DQEYMECFSA-N 0 0 426.516 5.085 50 0 IKAARN O=C(c1ccc2ccccc2c1)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000034924414 555933263 /nfs/dbraw/zinc/93/32/63/555933263.db2.gz YANLGYIJGIBZCW-UHFFFAOYSA-N 0 0 436.964 5.206 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)cc1 ZINC000034924410 555933294 /nfs/dbraw/zinc/93/32/94/555933294.db2.gz NLCIFPSIQNQMCJ-UHFFFAOYSA-N 0 0 443.012 5.350 50 0 IKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3cc(Cl)cc(Cl)c3)n2c1 ZINC000034913208 555934488 /nfs/dbraw/zinc/93/44/88/555934488.db2.gz YPBPGYFQUGMWNJ-UHFFFAOYSA-N 0 0 430.722 6.522 50 0 IKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000034912785 555934492 /nfs/dbraw/zinc/93/44/92/555934492.db2.gz OZTXGPQUISXASV-UHFFFAOYSA-N 0 0 425.410 5.589 50 0 IKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000034912682 555934534 /nfs/dbraw/zinc/93/45/34/555934534.db2.gz ZVKZIPWJMOYMAI-UHFFFAOYSA-N 0 0 447.538 6.089 50 0 IKAARN CCCCc1ccc(C(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)nc3ccccn32)cc1 ZINC000034913004 555934538 /nfs/dbraw/zinc/93/45/38/555934538.db2.gz RRFPHQMQBZDULP-UHFFFAOYSA-N 0 0 437.465 6.615 50 0 IKAARN CCCCOc1ccc(C(=O)Nc2c(-c3ccccc3OC)nc3cc(C)ccn32)cc1 ZINC000034912651 555934548 /nfs/dbraw/zinc/93/45/48/555934548.db2.gz XMHPBMMBTWPJCB-UHFFFAOYSA-N 0 0 429.520 5.750 50 0 IKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034912702 555934556 /nfs/dbraw/zinc/93/45/56/555934556.db2.gz PLCDCTCYVMVOEC-UHFFFAOYSA-N 0 0 426.303 5.877 50 0 IKAARN Clc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000003462030 555935580 /nfs/dbraw/zinc/93/55/80/555935580.db2.gz SEBWSZSWGYKXQU-OAQYLSRUSA-N 0 0 432.936 5.987 50 0 IKAARN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2ccc(F)cc2F)n1 ZINC000003467428 555935920 /nfs/dbraw/zinc/93/59/20/555935920.db2.gz QRCSUBDJKJOCKO-UHFFFAOYSA-N 0 0 438.286 7.102 50 0 IKAARN CCOc1ccc(S(=O)(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 ZINC000003622639 555941400 /nfs/dbraw/zinc/94/14/00/555941400.db2.gz HLDFXJYOWYRVER-UHFFFAOYSA-N 0 0 440.304 5.347 50 0 IKAARN Cc1ccc(Cc2c(C)nc3nc(SCc4ccc(F)cc4Cl)nn3c2C)cc1 ZINC000003631752 555942058 /nfs/dbraw/zinc/94/20/58/555942058.db2.gz GNUHOOZGGBXBKQ-UHFFFAOYSA-N 0 0 426.948 5.725 50 0 IKAARN Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(C)c1Cc1ccccc1Cl ZINC000003638199 555942711 /nfs/dbraw/zinc/94/27/11/555942711.db2.gz NRZWTUDKUJVTAV-UHFFFAOYSA-N 0 0 429.376 5.931 50 0 IKAARN CCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000003640714 555943016 /nfs/dbraw/zinc/94/30/16/555943016.db2.gz QSIFUYCUIAFDLQ-HSZRJFAPSA-N 0 0 442.544 5.733 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)Nc1ccc(Br)cc1-2 ZINC000003640761 555943113 /nfs/dbraw/zinc/94/31/13/555943113.db2.gz YYLXQXHOHAVPOP-MRXNPFEDSA-N 0 0 433.306 5.055 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccccc2C)Nc2ccccc2-3)cc1 ZINC000003653274 555943873 /nfs/dbraw/zinc/94/38/73/555943873.db2.gz VACNVWOJQIWGNL-HSZRJFAPSA-N 0 0 426.545 5.951 50 0 IKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccc(F)c2)Nc2ccccc2-3)cc1 ZINC000003653295 555943958 /nfs/dbraw/zinc/94/39/58/555943958.db2.gz JAVLDAIXEKNXND-QFIPXVFZSA-N 0 0 430.508 5.782 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1C)N(C(C)=O)c1ccccc1-2 ZINC000003653375 555943962 /nfs/dbraw/zinc/94/39/62/555943962.db2.gz GVSDJENQEQQQKW-HSZRJFAPSA-N 0 0 434.565 5.573 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 ZINC000003655178 555944275 /nfs/dbraw/zinc/94/42/75/555944275.db2.gz PVKUVAKDYKUPPS-HSZRJFAPSA-N 0 0 434.565 5.655 50 0 IKAARN Oc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)c1 ZINC000003653381 555944334 /nfs/dbraw/zinc/94/43/34/555944334.db2.gz SYHJGLSHMUSVLX-OAQYLSRUSA-N 0 0 448.935 5.693 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1C ZINC000003660983 555944780 /nfs/dbraw/zinc/94/47/80/555944780.db2.gz DHKWVIFKSMNSPW-UHFFFAOYSA-N 0 0 442.968 5.099 50 0 IKAARN CC(C)Cc1ccc(-c2csc(Nc3ccc(I)cc3)n2)cc1 ZINC000003663781 555944804 /nfs/dbraw/zinc/94/48/04/555944804.db2.gz KPCRLKOWYZJPIO-UHFFFAOYSA-N 0 0 434.346 6.357 50 0 IKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000003666283 555945136 /nfs/dbraw/zinc/94/51/36/555945136.db2.gz WNOKVWLMXOKGAG-UHFFFAOYSA-N 0 0 444.438 5.277 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3C2=O)c1 ZINC000003667430 555945177 /nfs/dbraw/zinc/94/51/77/555945177.db2.gz KJORDJNCXCUSDH-VWQFJMCTSA-N 0 0 433.548 5.722 50 0 biogenic IKAARN CCc1ccc(NC2=C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000003670065 555945423 /nfs/dbraw/zinc/94/54/23/555945423.db2.gz XVYDULKZBDZJAA-NDEPHWFRSA-N 0 0 438.615 7.193 50 0 IKAARN Clc1ccc(Cl)c(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c1 ZINC000003668842 555945484 /nfs/dbraw/zinc/94/54/84/555945484.db2.gz AEDSMPCPNSCUGL-UHFFFAOYSA-N 0 0 426.372 6.593 50 0 IKAARN CCCCc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(Br)cc1)N2 ZINC000003672752 555945702 /nfs/dbraw/zinc/94/57/02/555945702.db2.gz NMIDGHGSVHONLN-YADHBBJMSA-N 0 0 430.386 6.589 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 ZINC000003766143 555945951 /nfs/dbraw/zinc/94/59/51/555945951.db2.gz BFXBASMZVJKOTD-UHFFFAOYSA-N 0 0 435.545 5.635 50 0 IKAARN CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000003770778 555946361 /nfs/dbraw/zinc/94/63/61/555946361.db2.gz HSYUUFPESGYKEA-UHFFFAOYSA-N 0 0 428.532 6.372 50 0 IKAARN Cc1ccc(C(c2ccc(C)o2)c2cc(Br)cc(Br)c2O)o1 ZINC000003846752 555948493 /nfs/dbraw/zinc/94/84/93/555948493.db2.gz OIQPXZWSWPFLOS-UHFFFAOYSA-N 0 0 426.104 5.900 50 0 IKAARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1 ZINC000003852078 555949208 /nfs/dbraw/zinc/94/92/08/555949208.db2.gz ZPAJZSLBLJWOOH-JWGURIENSA-N 0 0 446.576 5.637 50 0 IKAARN Ic1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003880971 555950494 /nfs/dbraw/zinc/95/04/94/555950494.db2.gz AAHIYUWXFHXGBO-UHFFFAOYSA-N 0 0 436.296 5.328 50 0 IKAARN COc1cc2c(c(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1)NC(C)(C)C=C2C ZINC000003878837 555950549 /nfs/dbraw/zinc/95/05/49/555950549.db2.gz OUKXUWSZRJSJBU-UHFFFAOYSA-N 0 0 445.606 7.685 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12 ZINC000003962535 555951730 /nfs/dbraw/zinc/95/17/30/555951730.db2.gz FGTCROZDHDSNIO-UHFFFAOYSA-N 0 0 443.450 6.059 50 0 investigational IKAARN Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3N(Cc3ccccc3)C2=O)ccc1O ZINC000004012644 555952737 /nfs/dbraw/zinc/95/27/37/555952737.db2.gz SCZMRGCHZCTHHC-UHFFFAOYSA-N 0 0 435.523 5.596 50 0 IKAARN Cc1c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000004007345 555952804 /nfs/dbraw/zinc/95/28/04/555952804.db2.gz OWABYRKORBARCS-UHFFFAOYSA-N 0 0 425.576 5.889 50 0 IKAARN Clc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000004012931 555952832 /nfs/dbraw/zinc/95/28/32/555952832.db2.gz MSTKXIKKYVMIQK-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004109320 555963449 /nfs/dbraw/zinc/96/34/49/555963449.db2.gz PMZPXWIWNLLLIZ-AYPBNUJASA-N 0 0 435.520 5.113 50 0 biogenic IKAARN COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c(OC)cc1Cl ZINC000004142576 555967883 /nfs/dbraw/zinc/96/78/83/555967883.db2.gz LFAVIIKPDYBSBQ-UHFFFAOYSA-N 0 0 432.907 6.133 50 0 IKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000004144125 555968232 /nfs/dbraw/zinc/96/82/32/555968232.db2.gz LTPSQXWOMPPWOJ-INIZCTEOSA-N 0 0 427.551 5.089 50 0 IKAARN CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccccc1)c1ccccc21 ZINC000004149912 555968565 /nfs/dbraw/zinc/96/85/65/555968565.db2.gz URRVZXFEHWTPPL-UHFFFAOYSA-N 0 0 437.517 5.652 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000004148304 555968641 /nfs/dbraw/zinc/96/86/41/555968641.db2.gz GFFWXRSMXHALKX-SFHVURJKSA-N 0 0 425.594 6.337 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 ZINC000004174578 555972949 /nfs/dbraw/zinc/97/29/49/555972949.db2.gz KJORDJNCXCUSDH-IQOKHDRSSA-N 0 0 433.548 5.722 50 0 IKAARN Fc1ccccc1-c1nnc(SCc2ccc(C(F)(F)F)cc2)n1-c1ccccc1 ZINC000004211400 555976354 /nfs/dbraw/zinc/97/63/54/555976354.db2.gz FRSRLBXGLHTXNH-UHFFFAOYSA-N 0 0 429.442 6.385 50 0 IKAARN CC(=O)O[C@@H]1C=C2C(Cl)=C[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004215415 555976668 /nfs/dbraw/zinc/97/66/68/555976668.db2.gz KSCZWFXQKITHSL-OKCNGXCSSA-N 0 0 448.987 5.114 50 0 in-man IKAARN Ic1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000004243215 555978777 /nfs/dbraw/zinc/97/87/77/555978777.db2.gz DXJZJYPLPZEYBH-UHFFFAOYSA-N 0 0 436.296 5.328 50 0 in-vitro IKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O)c1cccs1 ZINC000004290102 555983071 /nfs/dbraw/zinc/98/30/71/555983071.db2.gz GRTPUCDLYHXTQH-UHFFFAOYSA-N 0 0 440.476 6.533 50 0 IKAARN CCCCc1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 ZINC000004291029 555983444 /nfs/dbraw/zinc/98/34/44/555983444.db2.gz ZKFOZKDSCVWRDJ-UHFFFAOYSA-N 0 0 430.548 5.019 50 0 IKAARN Cc1ccc(Oc2coc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3c2=O)cc1 ZINC000004290442 555983472 /nfs/dbraw/zinc/98/34/72/555983472.db2.gz JTHIIUJRIRJEQB-UHFFFAOYSA-N 0 0 440.407 5.219 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000004291132 555983490 /nfs/dbraw/zinc/98/34/90/555983490.db2.gz XAQLLJSAIVFORV-UHFFFAOYSA-N 0 0 444.575 5.881 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3cc4c(cc3Cl)OCO4)s2)c1C ZINC000010557560 555984971 /nfs/dbraw/zinc/98/49/71/555984971.db2.gz QSHCANCFHDFEOL-UHFFFAOYSA-N 0 0 448.957 5.011 50 0 IKAARN CC(=O)O[C@@H]1C[C@@H]2C(=C3CC[C@H](O)C[C@@]31C)CC[C@]1(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]21 ZINC000004369774 555990465 /nfs/dbraw/zinc/99/04/65/555990465.db2.gz ALUXQROARXCVRO-ALSLJUHISA-N 0 0 444.700 7.074 50 0 IKAARN CCCCCOc1ccc(NC(=O)CC(=O)Nc2ccc(OCCCCC)cc2)cc1 ZINC000004380897 555991982 /nfs/dbraw/zinc/99/19/82/555991982.db2.gz ONJKJWBIFSYJMP-UHFFFAOYSA-N 0 0 426.557 5.792 50 0 IKAARN CCc1cc2c(cc1-c1csc(-c3ccc(C(C)(C)C)cc3)n1)C(C)(C)CCC2(C)C ZINC000004390525 555992371 /nfs/dbraw/zinc/99/23/71/555992371.db2.gz GQCXIWKMXXHKKS-UHFFFAOYSA-N 0 0 431.689 8.686 50 0 IKAARN COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004471036 555995683 /nfs/dbraw/zinc/99/56/83/555995683.db2.gz RMLTWKUCIQYFLK-JWGURIENSA-N 0 0 434.561 5.464 50 0 IKAARN CCCC[C@@H](CC)COC(=O)CCCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000004521838 555999275 /nfs/dbraw/zinc/99/92/75/555999275.db2.gz VJHINFRRDQUWOJ-DNQXCXABSA-N 0 0 426.682 7.626 50 0 IKAARN O=C(C[C@@H](c1ccc(Br)cc1)[C@@H]1CCCCCCC1=O)c1ccc(Cl)cc1 ZINC000004531611 555999514 /nfs/dbraw/zinc/99/95/14/555999514.db2.gz BYDVZMZJQQWBQV-SFTDATJTSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@H](c1ccc(Cl)cc1Cl)[C@H]1CCCCCCC1=O)c1cccc(Cl)c1 ZINC000004531627 555999860 /nfs/dbraw/zinc/99/98/60/555999860.db2.gz JNXAWFVKNDYXBE-WOJBJXKFSA-N 0 0 437.794 7.543 50 0 IKAARN O=C(C[C@H](c1cccc(Cl)c1)[C@@H]1CCCCCCC1=O)c1ccccc1Br ZINC000004531638 555999891 /nfs/dbraw/zinc/99/98/91/555999891.db2.gz PUUUZEBCVYVNKE-AZUAARDMSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(C[C@H](c1ccc(Br)cc1)[C@@H]1CCCCCCC1=O)c1ccccc1Cl ZINC000004531635 555999940 /nfs/dbraw/zinc/99/99/40/555999940.db2.gz OONLQIVENUSPJG-AZUAARDMSA-N 0 0 447.800 6.999 50 0 IKAARN O=C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc2ccccc2c1 ZINC000004565913 556001354 /nfs/dbraw/zinc/00/13/54/556001354.db2.gz OUOCABIWSLFOPY-UHFFFAOYSA-N 0 0 429.519 6.920 50 0 IKAARN O=C(NCCCCc1ccccc1)c1ccccc1C(=O)NCCCCc1ccccc1 ZINC000004614072 556004349 /nfs/dbraw/zinc/00/43/49/556004349.db2.gz MVYCDRDJCSLSIP-UHFFFAOYSA-N 0 0 428.576 5.192 50 0 IKAARN O=C(NCCCCc1ccccc1)c1ccc(C(=O)NCCCCc2ccccc2)cc1 ZINC000004646786 556004995 /nfs/dbraw/zinc/00/49/95/556004995.db2.gz NXFSPHYTIVAMEW-UHFFFAOYSA-N 0 0 428.576 5.192 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3c2C1 ZINC000004660844 556005276 /nfs/dbraw/zinc/00/52/76/556005276.db2.gz OWOYATZPOINZFQ-GOSISDBHSA-N 0 0 425.594 6.392 50 0 IKAARN CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C ZINC000004655189 556005292 /nfs/dbraw/zinc/00/52/92/556005292.db2.gz ZVFDTKUVRCTHQE-UHFFFAOYSA-N 0 0 446.672 7.993 50 0 in-vitro IKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3c2C1 ZINC000004660845 556005305 /nfs/dbraw/zinc/00/53/05/556005305.db2.gz OWOYATZPOINZFQ-SFHVURJKSA-N 0 0 425.594 6.392 50 0 IKAARN CC(C)OCCCNC(=O)CCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004680112 556005920 /nfs/dbraw/zinc/00/59/20/556005920.db2.gz PQBODFHKJQOUPX-UHFFFAOYSA-N 0 0 432.605 5.076 50 0 IKAARN COc1ccc(Nc2ncc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc23)cc1 ZINC000004734213 556008950 /nfs/dbraw/zinc/00/89/50/556008950.db2.gz FRTBFJBXXHKBOR-UHFFFAOYSA-N 0 0 433.895 5.901 50 0 IKAARN COc1ccc(CCNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC ZINC000004757713 556010137 /nfs/dbraw/zinc/01/01/37/556010137.db2.gz QWDFDEAJIWHMPP-UHFFFAOYSA-N 0 0 437.849 5.488 50 0 IKAARN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000004828193 556014058 /nfs/dbraw/zinc/01/40/58/556014058.db2.gz XYJUBXQNPJCOJU-RRPNLBNLSA-N 0 0 425.528 5.912 50 0 IKAARN COC(C)(C)[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911228 556020571 /nfs/dbraw/zinc/02/05/71/556020571.db2.gz MUICXTJRJWBWTP-SJLPKXTDSA-N 0 0 425.569 5.504 50 0 IKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911967 556020797 /nfs/dbraw/zinc/02/07/97/556020797.db2.gz HLERQKOYOVDVKU-FQEVSTJZSA-N 0 0 428.576 6.402 50 0 IKAARN Cc1cc(C2(c3cc(C)c(O)cc3C(C)C)OC(=O)c3ccccc32)c(C(C)C)cc1O ZINC000005224199 556038393 /nfs/dbraw/zinc/03/83/93/556038393.db2.gz POLMEVSSJQXXES-UHFFFAOYSA-N 0 0 430.544 6.424 50 0 IKAARN CCCCOc1ccc(C2=CSc3nc(-c4ccccc4)c(Br)n3N2)cc1 ZINC000005297781 556043903 /nfs/dbraw/zinc/04/39/03/556043903.db2.gz PXAACUINPIQGOF-UHFFFAOYSA-N 0 0 442.382 6.139 50 0 IKAARN C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc34)c2C1 ZINC000005494155 556056669 /nfs/dbraw/zinc/05/66/69/556056669.db2.gz DNFAENMWYCRFCS-CQSZACIVSA-N 0 0 425.937 6.165 50 0 IKAARN COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000002252817 556068514 /nfs/dbraw/zinc/06/85/14/556068514.db2.gz JIIXFVHEGACKTN-VMPITWQZSA-N 0 0 426.365 5.073 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000005944353 556070133 /nfs/dbraw/zinc/07/01/33/556070133.db2.gz YWVGLGMLUGNQJT-UHFFFAOYSA-N 0 0 445.613 6.388 50 0 IKAARN Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000006142164 556077448 /nfs/dbraw/zinc/07/74/48/556077448.db2.gz QHHXDZVYWMXNKM-DEOSSOPVSA-N 0 0 447.365 7.918 50 0 IKAARN Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000006142165 556077507 /nfs/dbraw/zinc/07/75/07/556077507.db2.gz QHHXDZVYWMXNKM-XMMPIXPASA-N 0 0 447.365 7.918 50 0 IKAARN COC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)ccc1C)c2=O ZINC000006162902 556078932 /nfs/dbraw/zinc/07/89/32/556078932.db2.gz DXLHQYRGYGXGGO-CYBMUJFWSA-N 0 0 436.382 5.161 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000006212939 556080591 /nfs/dbraw/zinc/08/05/91/556080591.db2.gz YHSVFZPPUSNPEN-UHFFFAOYSA-N 0 0 438.549 5.046 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000006212379 556080638 /nfs/dbraw/zinc/08/06/38/556080638.db2.gz VRTRBUQLAGJUKN-UHFFFAOYSA-N 0 0 445.950 6.509 50 0 IKAARN CCCOc1cc(OCCC)cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000006352004 556085611 /nfs/dbraw/zinc/08/56/11/556085611.db2.gz XXKOHBUGKOGRBM-UHFFFAOYSA-N 0 0 431.492 5.720 50 0 IKAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)c1 ZINC000006432678 556087306 /nfs/dbraw/zinc/08/73/06/556087306.db2.gz NDALRSVIWILMOV-UHFFFAOYSA-N 0 0 431.879 5.298 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc32)cc1OC ZINC000006427813 556087314 /nfs/dbraw/zinc/08/73/14/556087314.db2.gz BOTXQIHXQVLTCB-OAHLLOKOSA-N 0 0 447.922 5.458 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccccn2)nc2c(C)cc(C)cc12 ZINC000006429623 556087320 /nfs/dbraw/zinc/08/73/20/556087320.db2.gz NTZVIFIOVFODBQ-UHFFFAOYSA-N 0 0 445.544 5.631 50 0 IKAARN Nc1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(N)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000006444991 556087937 /nfs/dbraw/zinc/08/79/37/556087937.db2.gz GLCPSWHSQFDBFV-UHFFFAOYSA-N 0 0 432.487 5.730 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000006444792 556087950 /nfs/dbraw/zinc/08/79/50/556087950.db2.gz RECBXZKDZRLXGY-PZJWPPBQSA-N 0 0 440.728 5.740 50 0 IKAARN O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2ccccn2)nc2ccc(Cl)cc21 ZINC000006457455 556089241 /nfs/dbraw/zinc/08/92/41/556089241.db2.gz GRDQKSQDQVPOLD-UHFFFAOYSA-N 0 0 435.914 6.870 50 0 IKAARN O=C(NCCCc1ccccc1)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000006457295 556089316 /nfs/dbraw/zinc/08/93/16/556089316.db2.gz ZJFYSMVDVCLIMI-UHFFFAOYSA-N 0 0 446.348 5.422 50 0 IKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000006457450 556089380 /nfs/dbraw/zinc/08/93/80/556089380.db2.gz PPKUQZQTHOPEGC-UHFFFAOYSA-N 0 0 425.875 6.463 50 0 IKAARN CCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000006471527 556090406 /nfs/dbraw/zinc/09/04/06/556090406.db2.gz TYDDVCRBJULCPG-QFIPXVFZSA-N 0 0 429.358 5.204 50 0 IKAARN COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc(OC)c1OC ZINC000006552736 556094210 /nfs/dbraw/zinc/09/42/10/556094210.db2.gz NMAHUMWJEFBQQR-UHFFFAOYSA-N 0 0 432.476 5.390 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1ccc(F)cc1 ZINC000006599491 556096522 /nfs/dbraw/zinc/09/65/22/556096522.db2.gz JBMLWMGFFKTRJN-UHFFFAOYSA-N 0 0 444.459 5.016 50 0 IKAARN O=C(Oc1c2ccccc2oc(=O)c1Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002448377 556100073 /nfs/dbraw/zinc/10/00/73/556100073.db2.gz DLXNEPZDCJUPSF-UHFFFAOYSA-N 0 0 425.267 5.910 50 0 IKAARN C[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C12CC3CC(CC(C3)C1)C2 ZINC000006700644 556101694 /nfs/dbraw/zinc/10/16/94/556101694.db2.gz FXGGJIREJNNTCV-BBXRDKHSSA-N 0 0 427.544 5.795 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000006722793 556102248 /nfs/dbraw/zinc/10/22/48/556102248.db2.gz SPDKHBBGQHBQDZ-FQEVSTJZSA-N 0 0 437.628 5.873 50 0 IKAARN CCc1ccccc1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000006860725 556107133 /nfs/dbraw/zinc/10/71/33/556107133.db2.gz GLXSIMVELGMPMT-UHFFFAOYSA-N 0 0 435.471 5.829 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000006924996 556110935 /nfs/dbraw/zinc/11/09/35/556110935.db2.gz FJBMAEXNZBYBBQ-ZJSXRUAMSA-N 0 0 436.870 5.240 50 0 IKAARN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1CNc1cc(Cl)ccc1Cl ZINC000097371668 556114829 /nfs/dbraw/zinc/11/48/29/556114829.db2.gz SZGRENDSDMIECH-VIZOYTHASA-N 0 0 448.158 6.406 50 0 IKAARN CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1 ZINC000002687735 556119005 /nfs/dbraw/zinc/11/90/05/556119005.db2.gz UDMJMQPBKOCWKT-UHFFFAOYSA-N 0 0 441.462 5.518 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000002685447 556119022 /nfs/dbraw/zinc/11/90/22/556119022.db2.gz XKVRNTVMDSRAFF-UHFFFAOYSA-N 0 0 433.501 5.337 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(Cl)cc4)cc2-3)cc1 ZINC000002689433 556119646 /nfs/dbraw/zinc/11/96/46/556119646.db2.gz XVMFMKWVHSYROK-UHFFFAOYSA-N 0 0 429.907 5.922 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1 ZINC000002689439 556119656 /nfs/dbraw/zinc/11/96/56/556119656.db2.gz UWTBPFLQXCJKHO-UHFFFAOYSA-N 0 0 425.463 5.470 50 0 IKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccc(F)cc1 ZINC000002688740 556119683 /nfs/dbraw/zinc/11/96/83/556119683.db2.gz NTOOUOYMVBGBHH-UHFFFAOYSA-N 0 0 441.462 5.518 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4)cc2-3)cc1 ZINC000002689423 556119738 /nfs/dbraw/zinc/11/97/38/556119738.db2.gz QEQZKVWORIYYCL-UHFFFAOYSA-N 0 0 425.488 5.277 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1C ZINC000002691921 556120230 /nfs/dbraw/zinc/12/02/30/556120230.db2.gz NULDXMNMAZMYAM-UHFFFAOYSA-N 0 0 439.490 5.779 50 0 IKAARN COc1cc2c(cc1OC)n(Cc1cccc(C)c1)cc(C(=O)c1ccc(Cl)cc1)c2=O ZINC000002691875 556120263 /nfs/dbraw/zinc/12/02/63/556120263.db2.gz CLLCCMBFNXEOPK-UHFFFAOYSA-N 0 0 447.918 5.260 50 0 IKAARN Clc1ccc(CCNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000002693067 556120552 /nfs/dbraw/zinc/12/05/52/556120552.db2.gz WFDDRAQYOUJGNA-UHFFFAOYSA-N 0 0 434.330 5.906 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000002694994 556121144 /nfs/dbraw/zinc/12/11/44/556121144.db2.gz GORHNJAJDAQXCY-UHFFFAOYSA-N 0 0 446.384 6.278 50 0 IKAARN COc1ccc(OCC(=O)Oc2ccc3oc(=O)sc3c2-c2ccc(Cl)cc2)cc1 ZINC000002697077 556121463 /nfs/dbraw/zinc/12/14/63/556121463.db2.gz RQJVICVUJUDJDW-UHFFFAOYSA-N 0 0 442.876 5.168 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000002699341 556121682 /nfs/dbraw/zinc/12/16/82/556121682.db2.gz RWSMPDRTKXLPLZ-UHFFFAOYSA-N 0 0 431.517 6.092 50 0 IKAARN COc1cc2c(cc1OC)n(Cc1ccccc1F)cc(C(=O)c1ccc(C)c(C)c1)c2=O ZINC000002699076 556121705 /nfs/dbraw/zinc/12/17/05/556121705.db2.gz ATOCADRMUMNDRT-UHFFFAOYSA-N 0 0 445.490 5.054 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2-c2ccccc2)c(OC)c1 ZINC000002699474 556121718 /nfs/dbraw/zinc/12/17/18/556121718.db2.gz QIVAODUTWSTXFF-UHFFFAOYSA-N 0 0 431.517 5.045 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000002699330 556121722 /nfs/dbraw/zinc/12/17/22/556121722.db2.gz PUNFHUGJYHJWHK-UHFFFAOYSA-N 0 0 438.883 6.949 50 0 IKAARN CCc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4cccc(F)c4)cc2-3)cc1 ZINC000002691325 556122091 /nfs/dbraw/zinc/12/20/91/556122091.db2.gz FJYNFGXGXWIHTD-UHFFFAOYSA-N 0 0 441.506 5.970 50 0 IKAARN CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002702773 556122670 /nfs/dbraw/zinc/12/26/70/556122670.db2.gz CIWJEOXZPPNKDV-OAQYLSRUSA-N 0 0 446.528 5.568 50 0 IKAARN CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002702771 556122701 /nfs/dbraw/zinc/12/27/01/556122701.db2.gz CIWJEOXZPPNKDV-NRFANRHFSA-N 0 0 446.528 5.568 50 0 IKAARN Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000002704772 556123850 /nfs/dbraw/zinc/12/38/50/556123850.db2.gz BNPAHEIGFGHDEQ-QFIPXVFZSA-N 0 0 431.875 5.206 50 0 IKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](CC)C2 ZINC000002708296 556124489 /nfs/dbraw/zinc/12/44/89/556124489.db2.gz OLOYXLKTUCQNTB-SAAWKEMMSA-N 0 0 443.565 5.109 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccc(C(F)(F)F)cc2)CCS3)cc1 ZINC000002719786 556125921 /nfs/dbraw/zinc/12/59/21/556125921.db2.gz FSLHKCDMAKGGGP-UHFFFAOYSA-N 0 0 434.508 5.500 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002720689 556127083 /nfs/dbraw/zinc/12/70/83/556127083.db2.gz VNJBBSPEFQENKC-UHFFFAOYSA-N 0 0 425.513 5.150 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2S[C@@H](C)c2ccccc2)cc1 ZINC000002721833 556127674 /nfs/dbraw/zinc/12/76/74/556127674.db2.gz SKXAGEMYXRQWRI-INIZCTEOSA-N 0 0 425.531 5.929 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1SCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000002721844 556127679 /nfs/dbraw/zinc/12/76/79/556127679.db2.gz BSWWNAZJRAGKHU-UHFFFAOYSA-N 0 0 433.457 5.338 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)NCc3ccccc3)c2c1 ZINC000002722589 556128217 /nfs/dbraw/zinc/12/82/17/556128217.db2.gz LCUFSQWYNPFWBR-UHFFFAOYSA-N 0 0 449.645 5.666 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1cccc(C)c1C ZINC000002722322 556128247 /nfs/dbraw/zinc/12/82/47/556128247.db2.gz ZJCPJCPKULKMGZ-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)Nc3ccccc3C)c2c1 ZINC000002722543 556128255 /nfs/dbraw/zinc/12/82/55/556128255.db2.gz BICBXJGXRWIJTM-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2ccc(Cl)cc2)cc1 ZINC000002714338 556129392 /nfs/dbraw/zinc/12/93/92/556129392.db2.gz WAFUDRDRAWDFRY-UHFFFAOYSA-N 0 0 438.962 6.704 50 0 IKAARN Cc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 ZINC000002714221 556129458 /nfs/dbraw/zinc/12/94/58/556129458.db2.gz QLGQRGYVYFWAKU-UHFFFAOYSA-N 0 0 438.962 6.970 50 0 IKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1OC ZINC000002713993 556129527 /nfs/dbraw/zinc/12/95/27/556129527.db2.gz JSGMOJMNEAAISV-UHFFFAOYSA-N 0 0 440.478 5.987 50 0 IKAARN CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)cc1 ZINC000002714695 556129852 /nfs/dbraw/zinc/12/98/52/556129852.db2.gz IHXNVIWQHWORHC-UHFFFAOYSA-N 0 0 436.515 6.238 50 0 IKAARN COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002714994 556130102 /nfs/dbraw/zinc/13/01/02/556130102.db2.gz YVMMFGDIVSZYBC-UHFFFAOYSA-N 0 0 426.907 6.493 50 0 IKAARN C[C@H](Oc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1 ZINC000002716199 556130507 /nfs/dbraw/zinc/13/05/07/556130507.db2.gz PGXZDBXTQBINIA-KRWDZBQOSA-N 0 0 436.349 5.788 50 0 IKAARN Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c1C ZINC000002716464 556131012 /nfs/dbraw/zinc/13/10/12/556131012.db2.gz LTMMGWCJCSRNPU-UHFFFAOYSA-N 0 0 448.950 5.173 50 0 IKAARN Cc1ccc(-n2ncc3c2nc(SCc2cccc(C(F)(F)F)c2)[nH]c3=O)cc1C ZINC000002718031 556131569 /nfs/dbraw/zinc/13/15/69/556131569.db2.gz ACBBOVAGDUXJMB-UHFFFAOYSA-N 0 0 430.455 5.037 50 0 IKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000002736342 556131959 /nfs/dbraw/zinc/13/19/59/556131959.db2.gz XMLOANVGGQCJJY-UHFFFAOYSA-N 0 0 425.340 7.036 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002739114 556132473 /nfs/dbraw/zinc/13/24/73/556132473.db2.gz WALSJPYUPFUAHF-UHFFFAOYSA-N 0 0 449.381 7.586 50 0 IKAARN Cc1sc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)nc1-c1ccccc1 ZINC000002739093 556132509 /nfs/dbraw/zinc/13/25/09/556132509.db2.gz ZCPVKTJXNFROBX-UHFFFAOYSA-N 0 0 435.552 6.894 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 ZINC000002739133 556132538 /nfs/dbraw/zinc/13/25/38/556132538.db2.gz SKKWJJZBIHDICJ-LLVKDONJSA-N 0 0 435.387 5.013 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002740414 556132684 /nfs/dbraw/zinc/13/26/84/556132684.db2.gz ZYVJWXLPOVSSAG-UHFFFAOYSA-N 0 0 428.963 7.241 50 0 IKAARN C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21)c1ccccc1 ZINC000002740239 556132748 /nfs/dbraw/zinc/13/27/48/556132748.db2.gz MMCBIMDIPNTXRJ-INIZCTEOSA-N 0 0 431.333 6.155 50 0 IKAARN CCCCC1CCC(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)CC1 ZINC000002724147 556132973 /nfs/dbraw/zinc/13/29/73/556132973.db2.gz CQTDRVHHPKDWQK-YBFPRZSNSA-N 0 0 436.571 6.001 50 0 IKAARN CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724216 556133023 /nfs/dbraw/zinc/13/30/23/556133023.db2.gz MWFKBEPWXXRVIY-SANMLTNESA-N 0 0 446.522 5.497 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 ZINC000002742415 556133036 /nfs/dbraw/zinc/13/30/36/556133036.db2.gz AGBDTGXSUDILQN-NSHDSACASA-N 0 0 433.982 6.170 50 0 IKAARN O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CCC2 ZINC000002742243 556133044 /nfs/dbraw/zinc/13/30/44/556133044.db2.gz NNRYRNPYRDCASE-UHFFFAOYSA-N 0 0 426.541 5.824 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002741772 556133065 /nfs/dbraw/zinc/13/30/65/556133065.db2.gz FMBRFJQVLMKTHL-UHFFFAOYSA-N 0 0 442.562 6.854 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000002724230 556133217 /nfs/dbraw/zinc/13/32/17/556133217.db2.gz VXIWOHGMYRHVCI-QFIPXVFZSA-N 0 0 443.305 5.625 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1cccc3ccccc31)CC(=O)N2 ZINC000002724283 556133354 /nfs/dbraw/zinc/13/33/54/556133354.db2.gz KYLBTWNKDROKAO-MUUNZHRXSA-N 0 0 438.502 5.400 50 0 IKAARN Cc1cc(NC(=S)Nc2ccccc2OC(F)F)nn1Cc1ccc(F)cc1Cl ZINC000002729189 556133873 /nfs/dbraw/zinc/13/38/73/556133873.db2.gz CXRDRBXWCBXJIV-UHFFFAOYSA-N 0 0 440.878 5.443 50 0 IKAARN Cc1cccc(-c2cc(C(=O)NCc3cccs3)c3cc(Br)ccc3n2)c1 ZINC000002730264 556134195 /nfs/dbraw/zinc/13/41/95/556134195.db2.gz HUZMPVJYJAKMBU-UHFFFAOYSA-N 0 0 437.362 5.964 50 0 IKAARN Cc1c(-c2ccc(Cl)c(Cl)c2)nn(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1 ZINC000002733358 556135058 /nfs/dbraw/zinc/13/50/58/556135058.db2.gz QHRSUPFNTVZKID-UHFFFAOYSA-N 0 0 448.180 8.128 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000002733493 556135072 /nfs/dbraw/zinc/13/50/72/556135072.db2.gz VWSSBYRVAIRLHM-UHFFFAOYSA-N 0 0 427.762 7.783 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)cc1 ZINC000002736043 556135397 /nfs/dbraw/zinc/13/53/97/556135397.db2.gz NDVXOYRFRUVVRS-UHFFFAOYSA-N 0 0 447.387 6.371 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCCC2 ZINC000002734320 556135398 /nfs/dbraw/zinc/13/53/98/556135398.db2.gz JDYMCINOZIPLMD-PKNBQFBNSA-N 0 0 438.376 6.152 50 0 IKAARN CCOc1ccc(C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 ZINC000002762382 556135705 /nfs/dbraw/zinc/13/57/05/556135705.db2.gz IMGQNTDSQYXBAO-UHFFFAOYSA-N 0 0 425.506 5.251 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc32)c1 ZINC000002762872 556135732 /nfs/dbraw/zinc/13/57/32/556135732.db2.gz DRGYBSSDPNGHPK-UHFFFAOYSA-N 0 0 442.515 5.959 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(Br)ccc3n2)cc1 ZINC000002763950 556136015 /nfs/dbraw/zinc/13/60/15/556136015.db2.gz AEUUWUNKKQLEBY-UHFFFAOYSA-N 0 0 437.381 6.243 50 0 IKAARN CCOc1cccc(-c2cc(C(=O)Nc3cc(C(=O)OC)ccc3C)c3ccccc3n2)c1 ZINC000002764035 556136026 /nfs/dbraw/zinc/13/60/26/556136026.db2.gz ZJHXIIBQUPVQDJ-UHFFFAOYSA-N 0 0 440.499 5.648 50 0 IKAARN CC[C@H]1CCc2c(sc(NC(=O)c3c(C)onc3-c3ccccc3Cl)c2C(N)=O)C1 ZINC000002744777 556136352 /nfs/dbraw/zinc/13/63/52/556136352.db2.gz GQIRPFHYTNYTQF-LBPRGKRZSA-N 0 0 443.956 5.231 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(=O)OC)C1 ZINC000002745578 556136362 /nfs/dbraw/zinc/13/63/62/556136362.db2.gz RZDNFAUHZUVSHY-AWEZNQCLSA-N 0 0 429.538 5.057 50 0 IKAARN CCc1ccc2oc(-c3cc(NC(=O)c4ccc5ccccc5c4)ccc3Cl)nc2c1 ZINC000002744586 556136401 /nfs/dbraw/zinc/13/64/01/556136401.db2.gz KJSBDSFRPGRPBH-UHFFFAOYSA-N 0 0 426.903 7.116 50 0 IKAARN Cc1nn(Cc2ccc(C(=O)Nc3nc4c(cccc4C)s3)o2)c(C)c1Br ZINC000002745046 556136407 /nfs/dbraw/zinc/13/64/07/556136407.db2.gz RWIYVFPCCXXEOT-UHFFFAOYSA-N 0 0 445.342 5.074 50 0 IKAARN O=C(NCCCCc1ccccc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002750707 556136953 /nfs/dbraw/zinc/13/69/53/556136953.db2.gz HUIMCYBNZBSWCX-UHFFFAOYSA-N 0 0 449.381 6.961 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC000002754052 556137183 /nfs/dbraw/zinc/13/71/83/556137183.db2.gz JOZOZSBJSQNMKR-CQSZACIVSA-N 0 0 438.549 5.654 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c1 ZINC000002753621 556137230 /nfs/dbraw/zinc/13/72/30/556137230.db2.gz UJJQOQGHXIRWGZ-UHFFFAOYSA-N 0 0 440.543 6.370 50 0 IKAARN Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccc(C)cc4)nc4ccccc43)n2)cc1 ZINC000002754423 556137247 /nfs/dbraw/zinc/13/72/47/556137247.db2.gz ZSPVOFKTMLFKHW-UHFFFAOYSA-N 0 0 435.552 6.894 50 0 IKAARN Cc1ccc(C(=O)NC[C@@]2(C)C[C@@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C ZINC000002752490 556137251 /nfs/dbraw/zinc/13/72/51/556137251.db2.gz KSIKJNIQBQLYQP-CUBQBAPOSA-N 0 0 434.624 5.665 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000002756612 556137450 /nfs/dbraw/zinc/13/74/50/556137450.db2.gz IFYWXLHITSTYMN-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002781983 556138088 /nfs/dbraw/zinc/13/80/88/556138088.db2.gz VREOVKQZMOEIBY-UHFFFAOYSA-N 0 0 428.439 5.218 50 0 IKAARN C[C@H]1CCc2nc(NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)sc2C1 ZINC000002782305 556138105 /nfs/dbraw/zinc/13/81/05/556138105.db2.gz FGLUSNVSSMMVRR-VIFPVBQESA-N 0 0 432.899 5.043 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)sc2c1CC[C@H](C)C2 ZINC000002783031 556138374 /nfs/dbraw/zinc/13/83/74/556138374.db2.gz SHFQALJZOFTQNF-LIRRHRJNSA-N 0 0 429.582 5.463 50 0 IKAARN COc1ccccc1OCc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)c1 ZINC000002786175 556138638 /nfs/dbraw/zinc/13/86/38/556138638.db2.gz IGBNWYJZNWACBR-UHFFFAOYSA-N 0 0 428.517 5.082 50 0 IKAARN O=C(CSc1nccc(-c2ccc(OC(F)F)cc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000002786123 556138661 /nfs/dbraw/zinc/13/86/61/556138661.db2.gz WGHPGUNZNNCZSJ-UHFFFAOYSA-N 0 0 439.846 5.268 50 0 IKAARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000002789212 556139068 /nfs/dbraw/zinc/13/90/68/556139068.db2.gz XFHKTWDLQRLKGM-FQEVSTJZSA-N 0 0 426.538 5.240 50 0 IKAARN C[C@H](c1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002788952 556139112 /nfs/dbraw/zinc/13/91/12/556139112.db2.gz QVNZNBZUAXDXOE-WDEREUQCSA-N 0 0 446.502 5.166 50 0 IKAARN COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)C[C@@H](C)CC6)o2)cc1 ZINC000002790354 556139697 /nfs/dbraw/zinc/13/96/97/556139697.db2.gz QSINOUHYVDUAFC-AWEZNQCLSA-N 0 0 446.532 5.311 50 0 IKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 ZINC000002790462 556139721 /nfs/dbraw/zinc/13/97/21/556139721.db2.gz JHYGPZOPGFKZRI-GFCCVEGCSA-N 0 0 436.371 5.453 50 0 IKAARN CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21)c1ccccc1 ZINC000002769298 556140192 /nfs/dbraw/zinc/14/01/92/556140192.db2.gz VQLBGKDVVGZOMJ-QFIPXVFZSA-N 0 0 445.360 6.545 50 0 IKAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H]3CCCO3)c3cc(Br)ccc3n2)cc1 ZINC000002770051 556140205 /nfs/dbraw/zinc/14/02/05/556140205.db2.gz GYQKMXIXNNUOHB-OYHNWAKOSA-N 0 0 439.353 5.270 50 0 IKAARN CCc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3cc(Br)ccc3n2)cc1 ZINC000002773426 556140425 /nfs/dbraw/zinc/14/04/25/556140425.db2.gz VPBQZIZUHNIILW-INIZCTEOSA-N 0 0 437.381 6.099 50 0 IKAARN CCCCc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Br)ccc3n2)cc1 ZINC000002777332 556140766 /nfs/dbraw/zinc/14/07/66/556140766.db2.gz MXBFLAPEIHIKBV-UHFFFAOYSA-N 0 0 437.381 6.243 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002780370 556141587 /nfs/dbraw/zinc/14/15/87/556141587.db2.gz BOPZURZRBZAPOM-OAHLLOKOSA-N 0 0 442.466 5.284 50 0 IKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002780109 556141605 /nfs/dbraw/zinc/14/16/05/556141605.db2.gz FJOZQIRSDBCJJG-UHFFFAOYSA-N 0 0 425.312 6.054 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5c(Cl)c(C)nn5C)nc4c23)C1 ZINC000002798211 556141856 /nfs/dbraw/zinc/14/18/56/556141856.db2.gz MWTUUAPAMCMNRK-GFCCVEGCSA-N 0 0 428.993 5.242 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5c(Cl)c(C)nn5C)nc4c23)C1 ZINC000002798210 556141893 /nfs/dbraw/zinc/14/18/93/556141893.db2.gz MWTUUAPAMCMNRK-LBPRGKRZSA-N 0 0 428.993 5.242 50 0 IKAARN CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(C)on3)c2C(=O)OC(C)C)cc1 ZINC000002801781 556142416 /nfs/dbraw/zinc/14/24/16/556142416.db2.gz MJOMTHNMGORLLP-AWEZNQCLSA-N 0 0 440.565 6.351 50 0 IKAARN Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000002804430 556143124 /nfs/dbraw/zinc/14/31/24/556143124.db2.gz LMJSORCADKIWLI-SECBINFHSA-N 0 0 431.668 5.128 50 0 IKAARN COC(=O)c1sc2cc(NC(=O)[C@@H](C)Cn3nc(C)c(Cl)c3C)ccc2c1Cl ZINC000002805219 556143297 /nfs/dbraw/zinc/14/32/97/556143297.db2.gz HABYUWUMHZAUEW-VIFPVBQESA-N 0 0 440.352 5.083 50 0 IKAARN C[C@@H](NC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1)c1ccc(-n2cccc2)cc1 ZINC000002805330 556143615 /nfs/dbraw/zinc/14/36/15/556143615.db2.gz SEKHKUQLRKUJBI-HXUWFJFHSA-N 0 0 442.563 5.499 50 0 IKAARN Brc1ccccc1OCc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 ZINC000002806330 556143715 /nfs/dbraw/zinc/14/37/15/556143715.db2.gz SVTLMNHBNPKULC-UHFFFAOYSA-N 0 0 431.293 5.286 50 0 IKAARN Cc1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)o4)nc3c2c1-c1ccccc1 ZINC000002792012 556144249 /nfs/dbraw/zinc/14/42/49/556144249.db2.gz MQQZAAPFIIRBHF-UHFFFAOYSA-N 0 0 446.923 5.473 50 0 IKAARN CC[C@H](C)c1ccc([C@H](C)NC(=O)c2cc(Br)ccc2OC(F)F)cc1 ZINC000002792704 556144637 /nfs/dbraw/zinc/14/46/37/556144637.db2.gz UCXWNIQRFDBPPI-STQMWFEESA-N 0 0 426.301 6.055 50 0 IKAARN CC[C@@H](C)c1ccc([C@H](C)NC(=O)c2cc(Br)ccc2OC(F)F)cc1 ZINC000002792703 556144708 /nfs/dbraw/zinc/14/47/08/556144708.db2.gz UCXWNIQRFDBPPI-OLZOCXBDSA-N 0 0 426.301 6.055 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000002795290 556145512 /nfs/dbraw/zinc/14/55/12/556145512.db2.gz FZHJGFJDBCJAFU-UHFFFAOYSA-N 0 0 441.112 5.241 50 0 IKAARN Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)cc1F ZINC000002796465 556145622 /nfs/dbraw/zinc/14/56/22/556145622.db2.gz WEXWYCUBAQGNJJ-UHFFFAOYSA-N 0 0 438.684 5.035 50 0 IKAARN Cc1cccc2sc(NC(=O)c3ccn(COc4ccc(Cl)cc4Cl)n3)nc21 ZINC000002795616 556145628 /nfs/dbraw/zinc/14/56/28/556145628.db2.gz CWTWEHZPYURLRO-UHFFFAOYSA-N 0 0 433.320 5.397 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC4CCCCCC4)c3n2)s1 ZINC000002808357 556146642 /nfs/dbraw/zinc/14/66/42/556146642.db2.gz ZRRMCZGPQCXDLV-UHFFFAOYSA-N 0 0 436.503 5.492 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccc(-c2cccc(OC(F)F)c2)n1 ZINC000002808860 556146645 /nfs/dbraw/zinc/14/66/45/556146645.db2.gz MSQORKYTJHJDSW-UHFFFAOYSA-N 0 0 435.883 5.438 50 0 IKAARN CCCCCNc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000002810029 556147254 /nfs/dbraw/zinc/14/72/54/556147254.db2.gz HBYXDQSUJBJVMX-UHFFFAOYSA-N 0 0 431.462 5.885 50 0 IKAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1C(F)(F)F ZINC000002890009 556147817 /nfs/dbraw/zinc/14/78/17/556147817.db2.gz HJWSYTXPHSFZNR-CQSZACIVSA-N 0 0 434.361 5.166 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002916718 556149085 /nfs/dbraw/zinc/14/90/85/556149085.db2.gz IMBARSFXZOGDSH-BJKOFHAPSA-N 0 0 444.897 5.592 50 0 IKAARN CCOP(=O)(OCC)c1nc(-c2cccc3ccccc32)oc1NCc1ccco1 ZINC000002908145 556149720 /nfs/dbraw/zinc/14/97/20/556149720.db2.gz IZDJPTHAMMVRDC-UHFFFAOYSA-N 0 0 426.409 5.591 50 0 IKAARN O=c1c2sccc2nc(SCc2ccccc2Cl)n1Cc1ccc2c(c1)OCO2 ZINC000002909047 556149724 /nfs/dbraw/zinc/14/97/24/556149724.db2.gz AJOKRSPFKJRBLV-UHFFFAOYSA-N 0 0 442.949 5.181 50 0 IKAARN O=c1c2sccc2nc(SCc2cccc(F)c2)n1-c1ccc(Br)cc1 ZINC000002908726 556149762 /nfs/dbraw/zinc/14/97/62/556149762.db2.gz CWRIJHOQTCJKJS-UHFFFAOYSA-N 0 0 447.354 5.641 50 0 IKAARN COc1ccc(CNc2oc(-c3cccc4ccccc43)nc2P(=O)(OC)OC)cc1 ZINC000002908130 556149794 /nfs/dbraw/zinc/14/97/94/556149794.db2.gz UUJHIJUIJBLWFW-UHFFFAOYSA-N 0 0 438.420 5.227 50 0 IKAARN Cc1cc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)ccc1Cl ZINC000002931009 556150110 /nfs/dbraw/zinc/15/01/10/556150110.db2.gz CFVCUXLSRHBSJY-UHFFFAOYSA-N 0 0 425.897 5.591 50 0 IKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 ZINC000002938970 556150443 /nfs/dbraw/zinc/15/04/43/556150443.db2.gz ROOXSTYPLCWAAD-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN Cc1cccc(C(=O)Oc2ccc(Cc3ccc(OC(=O)c4cccc(C)c4)cc3)cc2)c1 ZINC000002923941 556150565 /nfs/dbraw/zinc/15/05/65/556150565.db2.gz RRXBYZRKASXGHK-UHFFFAOYSA-N 0 0 436.507 6.333 50 0 IKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)c2ccc(Cl)cc2)cc1C ZINC000002925199 556150614 /nfs/dbraw/zinc/15/06/14/556150614.db2.gz LOGIUHOZVSRJBO-UHFFFAOYSA-N 0 0 440.977 5.692 50 0 IKAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccccc1C(F)(F)F ZINC000002925015 556150652 /nfs/dbraw/zinc/15/06/52/556150652.db2.gz ZXZXKISYMCFXSP-UHFFFAOYSA-N 0 0 429.876 5.608 50 0 IKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)oc2cc1C ZINC000002954395 556150961 /nfs/dbraw/zinc/15/09/61/556150961.db2.gz FNSISFNAVAFVDF-UHFFFAOYSA-N 0 0 449.963 6.200 50 0 IKAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCc1c(F)cccc1Cl ZINC000002970012 556151895 /nfs/dbraw/zinc/15/18/95/556151895.db2.gz AWPHPOFHYONLJJ-UHFFFAOYSA-N 0 0 440.927 5.538 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000002985391 556152109 /nfs/dbraw/zinc/15/21/09/556152109.db2.gz ZOUUWCIRCIKAOZ-UHFFFAOYSA-N 0 0 431.772 5.953 50 0 IKAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)Nc1ccccc1Cl ZINC000002970926 556152178 /nfs/dbraw/zinc/15/21/78/556152178.db2.gz XCPIMVICVPDNPJ-UHFFFAOYSA-N 0 0 427.957 5.286 50 0 IKAARN Cc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)c1 ZINC000002975012 556153188 /nfs/dbraw/zinc/15/31/88/556153188.db2.gz DXUZPYPEVRQGRD-UHFFFAOYSA-N 0 0 444.460 7.158 50 0 IKAARN COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C ZINC000002978597 556153610 /nfs/dbraw/zinc/15/36/10/556153610.db2.gz JNCZSLCCJRTQMN-UHFFFAOYSA-N 0 0 445.544 5.555 50 0 IKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)c1C ZINC000003008313 556154531 /nfs/dbraw/zinc/15/45/31/556154531.db2.gz YIUFMFWGVYZRIN-UHFFFAOYSA-N 0 0 428.355 5.251 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002989980 556155843 /nfs/dbraw/zinc/15/58/43/556155843.db2.gz KZJXYNAPYYUVMS-UHFFFAOYSA-N 0 0 433.933 6.625 50 0 IKAARN CCCC1CCC(c2ccc(-c3nnc(-c4ccccc4Br)o3)cc2)CC1 ZINC000003012074 556155861 /nfs/dbraw/zinc/15/58/61/556155861.db2.gz KKFLDGBYHKQNIU-UHFFFAOYSA-N 0 0 425.370 7.240 50 0 IKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000003002935 556156395 /nfs/dbraw/zinc/15/63/95/556156395.db2.gz UEQDSQQTGBXORX-UHFFFAOYSA-N 0 0 443.572 6.228 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3)nc2c1 ZINC000003002951 556156440 /nfs/dbraw/zinc/15/64/40/556156440.db2.gz GEOQBSWYIHQQHE-UHFFFAOYSA-N 0 0 437.524 6.083 50 0 IKAARN CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000003006775 556156749 /nfs/dbraw/zinc/15/67/49/556156749.db2.gz MNRRYDUBPCVQSG-HSZRJFAPSA-N 0 0 425.569 5.522 50 0 IKAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003028173 556157935 /nfs/dbraw/zinc/15/79/35/556157935.db2.gz HRKMFNORJJVDGL-UHFFFAOYSA-N 0 0 439.726 5.442 50 0 IKAARN CCc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccc(Cl)cc3Cl)c2c1 ZINC000008383370 556158865 /nfs/dbraw/zinc/15/88/65/556158865.db2.gz URPBOAHQUUGPFN-UHFFFAOYSA-N 0 0 435.354 7.332 50 0 IKAARN COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 ZINC000008382980 556158882 /nfs/dbraw/zinc/15/88/82/556158882.db2.gz AFRWOSWUNHFAGE-JYFHCDHNSA-N 0 0 428.557 5.338 50 0 IKAARN COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 ZINC000008382981 556158887 /nfs/dbraw/zinc/15/88/87/556158887.db2.gz AFRWOSWUNHFAGE-OZXSUGGESA-N 0 0 428.557 5.338 50 0 IKAARN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000008383372 556158927 /nfs/dbraw/zinc/15/89/27/556158927.db2.gz PMTDCGAKLVWRLK-UHFFFAOYSA-N 0 0 431.333 6.479 50 0 IKAARN O=C(Nc1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2)Nc1cccc(Cl)c1 ZINC000008382949 556158929 /nfs/dbraw/zinc/15/89/29/556158929.db2.gz XCELKEPFLAKXAO-UHFFFAOYSA-N 0 0 440.894 5.984 50 0 IKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000008383514 556159094 /nfs/dbraw/zinc/15/90/94/556159094.db2.gz YTYKYMMCFNEUOU-UHFFFAOYSA-N 0 0 447.893 6.351 50 0 IKAARN CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc4ccccc43)c2c1 ZINC000008383377 556159114 /nfs/dbraw/zinc/15/91/14/556159114.db2.gz HKGPWHJCGBWSDS-UHFFFAOYSA-N 0 0 436.942 7.523 50 0 IKAARN CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3c(CC)cccc3CC)c2c1 ZINC000008383381 556159157 /nfs/dbraw/zinc/15/91/57/556159157.db2.gz SDAUXWKEUMEZQD-UHFFFAOYSA-N 0 0 442.990 7.495 50 0 IKAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000008383408 556159169 /nfs/dbraw/zinc/15/91/69/556159169.db2.gz KAOCCQAQVKUXKE-UHFFFAOYSA-N 0 0 425.440 5.239 50 0 IKAARN CCOC(=O)c1cccc(COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)c1 ZINC000008383536 556159466 /nfs/dbraw/zinc/15/94/66/556159466.db2.gz ZBABJJSPKKMIJA-UHFFFAOYSA-N 0 0 425.484 5.744 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008383680 556159508 /nfs/dbraw/zinc/15/95/08/556159508.db2.gz ADPIXNRAJXWMMI-INIZCTEOSA-N 0 0 449.959 6.662 50 0 IKAARN O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc2ccccc2c1 ZINC000008384180 556160035 /nfs/dbraw/zinc/16/00/35/556160035.db2.gz ZTXJIGRSFINUAO-UHFFFAOYSA-N 0 0 434.451 5.597 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 ZINC000008384444 556160260 /nfs/dbraw/zinc/16/02/60/556160260.db2.gz JAHSFQSGGCHRMT-UHFFFAOYSA-N 0 0 436.920 5.964 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000008385397 556161497 /nfs/dbraw/zinc/16/14/97/556161497.db2.gz LNWDQGIXCASRCN-UHFFFAOYSA-N 0 0 425.517 5.359 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000008385400 556161509 /nfs/dbraw/zinc/16/15/09/556161509.db2.gz CIPQPOXEZJUEDB-UHFFFAOYSA-N 0 0 441.516 5.059 50 0 IKAARN O=C(Nc1ccc2sc(-c3ccc(Cl)cc3)nc2c1)c1ccc(Cl)cc1Cl ZINC000008386412 556161833 /nfs/dbraw/zinc/16/18/33/556161833.db2.gz ARAUAXAKYIRIMC-UHFFFAOYSA-N 0 0 433.747 7.176 50 0 IKAARN Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000008386766 556162100 /nfs/dbraw/zinc/16/21/00/556162100.db2.gz MNSRIPKTVZLOGG-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN COc1ccc([C@@H]2Nc3c(sc4nc5c(c(-c6ccccc6)c43)CCCC5)C(=O)N2)cc1 ZINC000008386908 556162427 /nfs/dbraw/zinc/16/24/27/556162427.db2.gz ZHDQPWYJDDPXMG-XMMPIXPASA-N 0 0 441.556 5.705 50 0 IKAARN Cc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)N2Nc2ccccc2)cc1 ZINC000008387466 556162766 /nfs/dbraw/zinc/16/27/66/556162766.db2.gz ALDUBFWEWADGIC-QNGOZBTKSA-N 0 0 432.321 5.415 50 0 IKAARN CC[C@@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000008395940 556163032 /nfs/dbraw/zinc/16/30/32/556163032.db2.gz OOUBGMVQDRRIIS-WMRWHDLOSA-N 0 0 433.533 5.115 50 0 IKAARN CC[C@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000008395942 556163079 /nfs/dbraw/zinc/16/30/79/556163079.db2.gz OOUBGMVQDRRIIS-REIAIGDLSA-N 0 0 433.533 5.115 50 0 IKAARN CCOc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1O ZINC000008396706 556163585 /nfs/dbraw/zinc/16/35/85/556163585.db2.gz WFJJQGIPNNPAOO-HTAPYJJXSA-N 0 0 426.925 5.748 50 0 IKAARN CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000008397272 556164144 /nfs/dbraw/zinc/16/41/44/556164144.db2.gz PLFDGEWUSRERIU-OPQYHKBDSA-N 0 0 447.534 5.509 50 0 IKAARN CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000008397273 556164150 /nfs/dbraw/zinc/16/41/50/556164150.db2.gz PLFDGEWUSRERIU-DEQMQSMYSA-N 0 0 447.534 5.509 50 0 IKAARN CCn1c2ccccc2c2cc([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)ccc21 ZINC000008397599 556164152 /nfs/dbraw/zinc/16/41/52/556164152.db2.gz SGBUYXOKZMIPTR-JDXGNMNLSA-N 0 0 443.550 7.057 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000008397274 556164204 /nfs/dbraw/zinc/16/42/04/556164204.db2.gz LBBTXDOZPGPWIT-UHFFFAOYSA-N 0 0 446.498 5.175 50 0 IKAARN Cc1ccccc1Cc1nnc2sc([C@@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 ZINC000008398758 556165141 /nfs/dbraw/zinc/16/51/41/556165141.db2.gz VHOXSCNXIVNOHB-KRWDZBQOSA-N 0 0 428.536 6.043 50 0 IKAARN Cc1ccccc1Cc1nnc2sc([C@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 ZINC000008398764 556165160 /nfs/dbraw/zinc/16/51/60/556165160.db2.gz VHOXSCNXIVNOHB-QGZVFWFLSA-N 0 0 428.536 6.043 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000008400771 556166175 /nfs/dbraw/zinc/16/61/75/556166175.db2.gz GAMANWJXGOFAST-UHFFFAOYSA-N 0 0 438.734 5.192 50 0 IKAARN CCc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000008407313 556166840 /nfs/dbraw/zinc/16/68/40/556166840.db2.gz PSIAACSFRKOOEL-JOCHJYFZSA-N 0 0 433.577 6.929 50 0 IKAARN COc1ccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000008410095 556167036 /nfs/dbraw/zinc/16/70/36/556167036.db2.gz WEBMVXMEBUOBDQ-BZZOAKBMSA-N 0 0 446.304 5.980 50 0 IKAARN O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000008409935 556167079 /nfs/dbraw/zinc/16/70/79/556167079.db2.gz AXBVIOAYWJIPJH-UHFFFAOYSA-N 0 0 442.569 6.084 50 0 IKAARN O=c1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)coc2c(Cl)cc(Cl)cc12 ZINC000008411084 556167089 /nfs/dbraw/zinc/16/70/89/556167089.db2.gz BKKXDYYTNUIZBN-UHFFFAOYSA-N 0 0 433.294 6.824 50 0 IKAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2ccccc2Cl)cc1C ZINC000008414248 556167357 /nfs/dbraw/zinc/16/73/57/556167357.db2.gz XIKKHUVDWPUDGO-JCMHNJIXSA-N 0 0 438.980 5.148 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000008424509 556167922 /nfs/dbraw/zinc/16/79/22/556167922.db2.gz RHISFAGIRYBARC-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(C(=O)c4ccccc4)c3)[nH]2)cc1 ZINC000008425669 556168266 /nfs/dbraw/zinc/16/82/66/556168266.db2.gz FWCVEJPMNIASJG-UHFFFAOYSA-N 0 0 430.507 6.650 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008426702 556169026 /nfs/dbraw/zinc/16/90/26/556169026.db2.gz XIOMSBOFYKNISP-IFMALSPDSA-N 0 0 439.740 6.345 50 0 IKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCCCC2)cc1 ZINC000008426717 556169100 /nfs/dbraw/zinc/16/91/00/556169100.db2.gz OOOACTPWUSQMHU-IBGZPJMESA-N 0 0 431.761 6.306 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000008426621 556169109 /nfs/dbraw/zinc/16/91/09/556169109.db2.gz YATKPBYGTXMBDD-JTHBVZDNSA-N 0 0 425.370 6.207 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000008426742 556169361 /nfs/dbraw/zinc/16/93/61/556169361.db2.gz POSPTOJRPFMJEK-JTHBVZDNSA-N 0 0 443.761 7.198 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000008426743 556169375 /nfs/dbraw/zinc/16/93/75/556169375.db2.gz POSPTOJRPFMJEK-FYYLOGMGSA-N 0 0 443.761 7.198 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1cccc(Cl)c1 ZINC000008427266 556169420 /nfs/dbraw/zinc/16/94/20/556169420.db2.gz IZJSEQAYUDYUPI-OAQYLSRUSA-N 0 0 441.756 6.467 50 0 IKAARN Clc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccccc3Cl)C2)cc1 ZINC000008427279 556169641 /nfs/dbraw/zinc/16/96/41/556169641.db2.gz RDTKHQNQWPIAGQ-NRFANRHFSA-N 0 0 446.175 7.112 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000008427359 556169646 /nfs/dbraw/zinc/16/96/46/556169646.db2.gz LBKVJTXFBAFUBG-JOCHJYFZSA-N 0 0 441.756 6.467 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008427287 556169692 /nfs/dbraw/zinc/16/96/92/556169692.db2.gz SSQBFBMMIKMYRV-QFIPXVFZSA-N 0 0 441.756 6.467 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccccc1)N2 ZINC000008430024 556170228 /nfs/dbraw/zinc/17/02/28/556170228.db2.gz LSEFRFXCYUDJGN-ZWQVRTGJSA-N 0 0 428.963 6.889 50 0 IKAARN Cc1ccc(NC(=O)C(C(=O)Nc2ccc(C)cc2)=C2NC(C)(C)Cc3ccccc32)cc1 ZINC000008430855 556170834 /nfs/dbraw/zinc/17/08/34/556170834.db2.gz CIHBXJUQCUNMQL-UHFFFAOYSA-N 0 0 439.559 5.216 50 0 IKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cc(Br)c(Br)o1 ZINC000008431286 556170885 /nfs/dbraw/zinc/17/08/85/556170885.db2.gz DCSUQJSVPNAKOI-DHDCSXOGSA-N 0 0 447.082 5.302 50 0 IKAARN CCSc1nc2ccccc2n1C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000008431354 556171103 /nfs/dbraw/zinc/17/11/03/556171103.db2.gz FUNWNPGVQXNFBJ-UHFFFAOYSA-N 0 0 443.528 5.018 50 0 IKAARN Cc1nc2sc3c(c2c(N2CCN(c4cccc(C(F)(F)F)c4)CC2)n1)CCCC3 ZINC000008431737 556171423 /nfs/dbraw/zinc/17/14/23/556171423.db2.gz AXBLALLTEONSLY-UHFFFAOYSA-N 0 0 432.515 5.224 50 0 IKAARN CC(C)Cn1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)sc1c2CCC1 ZINC000008432111 556171456 /nfs/dbraw/zinc/17/14/56/556171456.db2.gz SFZJKXHWGIZLQQ-UHFFFAOYSA-N 0 0 432.998 5.231 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccccc1 ZINC000008432351 556171709 /nfs/dbraw/zinc/17/17/09/556171709.db2.gz CYGKPEUBZRMLNW-OAQYLSRUSA-N 0 0 435.321 5.449 50 0 IKAARN CCOC(=O)c1cc(Oc2ncnc3scc(-c4ccccc4)c32)cc(C(=O)OCC)c1 ZINC000008432662 556171737 /nfs/dbraw/zinc/17/17/37/556171737.db2.gz SQNFFLZBCKIIBP-UHFFFAOYSA-N 0 0 448.500 5.504 50 0 IKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3[C@H](C)CCC2)cc1 ZINC000008432669 556172155 /nfs/dbraw/zinc/17/21/55/556172155.db2.gz LCOVDALSHIHZFD-QGZVFWFLSA-N 0 0 432.614 6.488 50 0 IKAARN COc1cc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3S2)cc(OC)c1OC ZINC000008433106 556172445 /nfs/dbraw/zinc/17/24/45/556172445.db2.gz ZVCBIQZAKQKLJG-HSZRJFAPSA-N 0 0 439.964 6.724 50 0 IKAARN Clc1ccc(-c2csc3ncnc(Oc4ccc(Cc5ccccc5)cc4)c23)cc1 ZINC000008433009 556172472 /nfs/dbraw/zinc/17/24/72/556172472.db2.gz RIASHPMBTMVGDO-UHFFFAOYSA-N 0 0 428.944 7.395 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1nc(-c2ccccc2)cs1 ZINC000008435596 556173347 /nfs/dbraw/zinc/17/33/47/556173347.db2.gz YZXFYWLAADSHLJ-UHFFFAOYSA-N 0 0 428.926 5.244 50 0 IKAARN CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3cccc(F)c3)NC2=S)cc1 ZINC000008438955 556174932 /nfs/dbraw/zinc/17/49/32/556174932.db2.gz WVDCQALSHVWTCF-JCMHNJIXSA-N 0 0 448.519 5.066 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)c(C)cc1C)cc2Cl ZINC000008439200 556175130 /nfs/dbraw/zinc/17/51/30/556175130.db2.gz MQLQHOHSXSIVMV-UHFFFAOYSA-N 0 0 435.929 5.297 50 0 IKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc3c2C1 ZINC000008439055 556175223 /nfs/dbraw/zinc/17/52/23/556175223.db2.gz QFEZCSCCPLXCFI-IBGZPJMESA-N 0 0 439.621 6.898 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc3c2C1 ZINC000008439053 556175276 /nfs/dbraw/zinc/17/52/76/556175276.db2.gz QFEZCSCCPLXCFI-LJQANCHMSA-N 0 0 439.621 6.898 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000008439231 556175416 /nfs/dbraw/zinc/17/54/16/556175416.db2.gz HBVIKGRTDLFQHC-UHFFFAOYSA-N 0 0 445.537 5.288 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1C ZINC000008439287 556175567 /nfs/dbraw/zinc/17/55/67/556175567.db2.gz ILDBWDLKVIPFDS-UHFFFAOYSA-N 0 0 433.529 5.831 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000008439910 556175794 /nfs/dbraw/zinc/17/57/94/556175794.db2.gz VQDJVPLDKUHNOL-FXAWDEMLSA-N 0 0 445.769 6.406 50 0 IKAARN Cc1ccc(CSc2nnc(NC(=O)c3sc4cc(C)ccc4c3Cl)s2)cc1 ZINC000008440054 556176116 /nfs/dbraw/zinc/17/61/16/556176116.db2.gz HLENGOFEFNMZEU-UHFFFAOYSA-N 0 0 446.022 6.568 50 0 IKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000008441566 556176777 /nfs/dbraw/zinc/17/67/77/556176777.db2.gz GEUGYXBZEIABAQ-UNMCSNQZSA-N 0 0 441.275 5.970 50 0 IKAARN CC(C)COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 ZINC000008442799 556177761 /nfs/dbraw/zinc/17/77/61/556177761.db2.gz QVWPXOQFXYSVMS-UHFFFAOYSA-N 0 0 436.964 6.904 50 0 IKAARN Cc1ccc(C)c(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000008453327 556184105 /nfs/dbraw/zinc/18/41/05/556184105.db2.gz PSJUMYYWCXSGNN-LBPRGKRZSA-N 0 0 428.120 5.201 50 0 IKAARN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=N)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000008443433 556178412 /nfs/dbraw/zinc/17/84/12/556178412.db2.gz CTJDZOHGCPMOSK-PNVGRYOSSA-N 0 0 438.892 5.442 50 0 IKAARN O=C(Nc1ccc(NC(=O)C2CCCCC2)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1 ZINC000008443763 556178419 /nfs/dbraw/zinc/17/84/19/556178419.db2.gz YLKULRUCICFHKN-UHFFFAOYSA-N 0 0 444.579 6.268 50 0 IKAARN O=C1C[C@H](c2ccc(-c3ccccc3)cc2)c2cc(Br)c3ccccc3c2N1 ZINC000008443979 556178582 /nfs/dbraw/zinc/17/85/82/556178582.db2.gz CXWNEZSOOFKCRD-OAQYLSRUSA-N 0 0 428.329 6.743 50 0 IKAARN CC1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 ZINC000008444411 556178945 /nfs/dbraw/zinc/17/89/45/556178945.db2.gz BDRJBIBMMOPNCV-YPMHNXCESA-N 0 0 432.899 5.130 50 0 IKAARN C[C@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@H]12 ZINC000008444541 556178970 /nfs/dbraw/zinc/17/89/70/556178970.db2.gz PXTKIPXFRAYYAB-VPWXQRGCSA-N 0 0 442.485 5.456 50 0 IKAARN Cc1ccc(CSc2nnc(-c3ccc(NC(=O)CCc4ccccc4)cc3)n2C)cc1 ZINC000008445038 556179185 /nfs/dbraw/zinc/17/91/85/556179185.db2.gz MPEJSXFHDIRESF-UHFFFAOYSA-N 0 0 442.588 5.654 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000008444762 556179282 /nfs/dbraw/zinc/17/92/82/556179282.db2.gz UANNKVWIAGLVDX-JZCIWHOWSA-N 0 0 444.501 5.242 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2 ZINC000008445629 556179841 /nfs/dbraw/zinc/17/98/41/556179841.db2.gz CRRHJTCKHGCDMR-UHFFFAOYSA-N 0 0 434.561 5.839 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H](C)c1ccccc1)CC[C@@H](C)C2 ZINC000008445624 556179853 /nfs/dbraw/zinc/17/98/53/556179853.db2.gz YDAXBNUJGDQMFF-SJLPKXTDSA-N 0 0 432.589 5.925 50 0 IKAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H](C)c1ccccc1)CC[C@H](C)C2 ZINC000008445625 556179856 /nfs/dbraw/zinc/17/98/56/556179856.db2.gz YDAXBNUJGDQMFF-FUHWJXTLSA-N 0 0 432.589 5.925 50 0 IKAARN COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c1 ZINC000008445484 556179876 /nfs/dbraw/zinc/17/98/76/556179876.db2.gz AIFCCQPRNZOKFD-JOCHJYFZSA-N 0 0 447.383 7.117 50 0 IKAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCC3)cc1 ZINC000008445640 556180163 /nfs/dbraw/zinc/18/01/63/556180163.db2.gz PPCMTSSQGBWPLC-UHFFFAOYSA-N 0 0 448.588 5.768 50 0 IKAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000008446074 556180171 /nfs/dbraw/zinc/18/01/71/556180171.db2.gz JFICPFYXXCDPPC-UHFFFAOYSA-N 0 0 435.936 5.690 50 0 IKAARN CCOC(=O)C1=C(c2ccccc2)[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000008446416 556180174 /nfs/dbraw/zinc/18/01/74/556180174.db2.gz FOUUOIDVZJCPLU-JSOSNVBQSA-N 0 0 444.530 6.235 50 0 IKAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCC3)cc1 ZINC000008445638 556180177 /nfs/dbraw/zinc/18/01/77/556180177.db2.gz LAOQBFALQMENGQ-UHFFFAOYSA-N 0 0 440.952 5.332 50 0 IKAARN Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCCC3)c(C)c1 ZINC000008445647 556180182 /nfs/dbraw/zinc/18/01/82/556180182.db2.gz QVYONYIMPPFQOI-UHFFFAOYSA-N 0 0 436.552 6.278 50 0 IKAARN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Br)cc4)ccc3o2)cc1 ZINC000008448890 556180711 /nfs/dbraw/zinc/18/07/11/556180711.db2.gz MFTCSLFIZJKFQC-YIXHJXPBSA-N 0 0 449.304 5.918 50 0 IKAARN Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000008448691 556180757 /nfs/dbraw/zinc/18/07/57/556180757.db2.gz DRBOPWQLKIYPIL-UHFFFAOYSA-N 0 0 448.657 6.885 50 0 IKAARN Cc1cc2n(n1)[C@H](c1c(OCc3ccccc3)ccc3ccccc31)Nc1c(C)cccc1-2 ZINC000008450558 556181256 /nfs/dbraw/zinc/18/12/56/556181256.db2.gz YBJOEBRVPHPGLH-GDLZYMKVSA-N 0 0 431.539 6.872 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)cc1 ZINC000008450735 556181578 /nfs/dbraw/zinc/18/15/78/556181578.db2.gz NRTJQOFWXCZPGT-ATJXCDBQSA-N 0 0 426.563 5.555 50 0 IKAARN CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)Nc3ccccn3)c3ccccc3n2)c1 ZINC000008450823 556181583 /nfs/dbraw/zinc/18/15/83/556181583.db2.gz SKXWHAODTQYMCS-UHFFFAOYSA-N 0 0 442.544 5.211 50 0 IKAARN Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)sc2n1 ZINC000008450711 556181648 /nfs/dbraw/zinc/18/16/48/556181648.db2.gz ZGZRHULQPVAFQT-HXUWFJFHSA-N 0 0 426.545 5.487 50 0 IKAARN Cc1sc2nc(SCc3ccc(Cl)cc3)n(-c3cc(C)ccn3)c(=O)c2c1C ZINC000008450701 556181652 /nfs/dbraw/zinc/18/16/52/556181652.db2.gz MLOWMUYJJVQJDW-UHFFFAOYSA-N 0 0 427.982 5.713 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4nnc(SCC(C)C)s4)c(N)c3cc2C1 ZINC000008451061 556181785 /nfs/dbraw/zinc/18/17/85/556181785.db2.gz OLUPVAHCTTUVNS-LLVKDONJSA-N 0 0 447.655 5.245 50 0 IKAARN CCCCSc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000008451038 556181865 /nfs/dbraw/zinc/18/18/65/556181865.db2.gz FLHVXNNAOXJKAF-UHFFFAOYSA-N 0 0 434.590 6.085 50 0 IKAARN CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)OCc1ccccc1 ZINC000008451829 556182494 /nfs/dbraw/zinc/18/24/94/556182494.db2.gz GJBQVYOJOLWWTN-UHFFFAOYSA-N 0 0 432.564 5.362 50 0 IKAARN O=C1N2c3ccccc3S[C@@H](c3ccccc3)C[C@]2(c2ccccc2)C1(Cl)Cl ZINC000008452012 556182517 /nfs/dbraw/zinc/18/25/17/556182517.db2.gz JDCYQYZPZYWWID-IRLDBZIGSA-N 0 0 426.368 6.340 50 0 IKAARN Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c2)c1 ZINC000008452534 556183034 /nfs/dbraw/zinc/18/30/34/556183034.db2.gz BHHMHUNBGIGFPH-GOSISDBHSA-N 0 0 449.982 6.236 50 0 IKAARN COc1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1Br ZINC000008452638 556183140 /nfs/dbraw/zinc/18/31/40/556183140.db2.gz QLNTUIJDNFHSCB-FNORWQNLSA-N 0 0 435.115 5.644 50 0 IKAARN CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000008452551 556183162 /nfs/dbraw/zinc/18/31/62/556183162.db2.gz FSRNIIZPILEPMV-QGZVFWFLSA-N 0 0 449.934 5.880 50 0 IKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1ccccn1)N(C(C)=O)c1ccccc1-2 ZINC000008453094 556183712 /nfs/dbraw/zinc/18/37/12/556183712.db2.gz HKPHCLPUBIAASY-JOCHJYFZSA-N 0 0 435.553 5.050 50 0 IKAARN O=C1C[C@](/C=C/c2ccccc2)(Nc2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1 ZINC000008453238 556184035 /nfs/dbraw/zinc/18/40/35/556184035.db2.gz UCVYTLPMIOHMQG-LCJITAHGSA-N 0 0 443.374 5.949 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000008453350 556184047 /nfs/dbraw/zinc/18/40/47/556184047.db2.gz KCNXSBPJRGDCKQ-GFCCVEGCSA-N 0 0 441.163 5.741 50 0 IKAARN Cc1ccc(C)c(OC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000008453326 556184103 /nfs/dbraw/zinc/18/41/03/556184103.db2.gz PSJUMYYWCXSGNN-GFCCVEGCSA-N 0 0 428.120 5.201 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000008453260 556184121 /nfs/dbraw/zinc/18/41/21/556184121.db2.gz VPEICTQDOUWGTK-GMAHTHKFSA-N 0 0 436.342 6.549 50 0 IKAARN COc1ccc(CNc2c(F)c(F)c3nc4c(cc3c2F)c(-c2ccccc2)nn4C)cc1 ZINC000008453517 556184508 /nfs/dbraw/zinc/18/45/08/556184508.db2.gz BCNBYEBYEHOUHY-UHFFFAOYSA-N 0 0 448.448 5.827 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000008453793 556184726 /nfs/dbraw/zinc/18/47/26/556184726.db2.gz VKPWWTWMAVNDQQ-IOYSRHCYSA-N 0 0 443.628 6.317 50 0 IKAARN Cc1cc(C)c2c(N)c(C(=O)N(c3ccccc3)c3c(Cl)cccc3Cl)sc2n1 ZINC000008453974 556184748 /nfs/dbraw/zinc/18/47/48/556184748.db2.gz YCRWRZRYXIGNRT-UHFFFAOYSA-N 0 0 442.371 6.781 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000008454132 556184752 /nfs/dbraw/zinc/18/47/52/556184752.db2.gz GQJVWWHRTDUBRI-UHFFFAOYSA-N 0 0 447.410 5.945 50 0 IKAARN CCC[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454311 556185067 /nfs/dbraw/zinc/18/50/67/556185067.db2.gz DFOQZEFZDFHNFZ-WTLBSLDQSA-N 0 0 447.255 5.384 50 0 IKAARN CCC[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454310 556185103 /nfs/dbraw/zinc/18/51/03/556185103.db2.gz DFOQZEFZDFHNFZ-VIFIAVEJSA-N 0 0 447.255 5.384 50 0 IKAARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008454512 556185312 /nfs/dbraw/zinc/18/53/12/556185312.db2.gz NEBZTTVWOONAAQ-UHFFFAOYSA-N 0 0 429.967 5.886 50 0 IKAARN CCOc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(OCC)c1OCC ZINC000008455694 556185580 /nfs/dbraw/zinc/18/55/80/556185580.db2.gz JUAAZGBNVDPNCQ-UHFFFAOYSA-N 0 0 447.575 5.835 50 0 IKAARN CCC(CC)C(=O)Nc1ccc(-c2ccc(NC(=O)C(CC)CC)c(OC)c2)cc1OC ZINC000008455680 556185583 /nfs/dbraw/zinc/18/55/83/556185583.db2.gz OHVIUQWVDTVDDU-UHFFFAOYSA-N 0 0 440.584 6.120 50 0 IKAARN COc1cccc([C@@H]2CN(c3ccc(Br)cc3)N=C2c2cccs2)c1OC ZINC000008456373 556186226 /nfs/dbraw/zinc/18/62/26/556186226.db2.gz SRWDLOHGLSLZJC-KRWDZBQOSA-N 0 0 443.366 5.536 50 0 IKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000008497909 556186792 /nfs/dbraw/zinc/18/67/92/556186792.db2.gz 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CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000008594779 556189834 /nfs/dbraw/zinc/18/98/34/556189834.db2.gz IFXOTGXWOOVUNM-SANMLTNESA-N 0 0 428.557 5.037 50 0 IKAARN CC(C)c1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000008594904 556189850 /nfs/dbraw/zinc/18/98/50/556189850.db2.gz FAPYYQSFCKCCSL-AREMUKBSSA-N 0 0 446.547 5.429 50 0 IKAARN Cc1cc(C)cc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 ZINC000008594483 556189872 /nfs/dbraw/zinc/18/98/72/556189872.db2.gz QYHTUXNZLHGKRQ-OAQYLSRUSA-N 0 0 425.866 6.487 50 0 aggregator IKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c(Cl)c1 ZINC000008594970 556190222 /nfs/dbraw/zinc/19/02/22/556190222.db2.gz XAZKJNLFELPROP-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 aggregator IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000008594983 556190295 /nfs/dbraw/zinc/19/02/95/556190295.db2.gz JUJBETOIWRNHAG-RUZDIDTESA-N 0 0 427.504 5.365 50 0 IKAARN Cc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)cc1Cl ZINC000008604605 556191290 /nfs/dbraw/zinc/19/12/90/556191290.db2.gz VQLMBQHJRAKOTC-HXUWFJFHSA-N 0 0 426.925 5.450 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1=NC(C)(C)ON1c1ccccc1 ZINC000008616545 556192556 /nfs/dbraw/zinc/19/25/56/556192556.db2.gz GTMJXRVXSMNTMW-UHFFFAOYSA-N 0 0 445.306 5.231 50 0 IKAARN CN(Cc1nc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)Cc1ccccc1 ZINC000008616500 556192680 /nfs/dbraw/zinc/19/26/80/556192680.db2.gz JFKQFVYQODNXKT-BQYQJAHWSA-N 0 0 441.375 5.910 50 0 IKAARN CC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000008618142 556192860 /nfs/dbraw/zinc/19/28/60/556192860.db2.gz WWHDZSGEPWVOQR-UHFFFAOYSA-N 0 0 446.399 7.474 50 0 IKAARN O=C(NCc1cc(F)cc2c1OCOC2)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000008618215 556193265 /nfs/dbraw/zinc/19/32/65/556193265.db2.gz XPZLMQAEJKUFAZ-UHFFFAOYSA-N 0 0 438.238 5.314 50 0 IKAARN Cn1c(Sc2nc3ccc(Cl)cc3s2)nnc1-c1ccc(Cl)cc1Cl ZINC000008618243 556193322 /nfs/dbraw/zinc/19/33/22/556193322.db2.gz AUNQGJDISIDNHN-UHFFFAOYSA-N 0 0 427.769 6.203 50 0 IKAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F ZINC000008618201 556193368 /nfs/dbraw/zinc/19/33/68/556193368.db2.gz OXYHWBTUEGUNPS-UHFFFAOYSA-N 0 0 427.142 6.131 50 0 IKAARN Cc1ccc(C)c(Oc2ccc(NC(=O)Nc3ccc(SC(F)(F)F)cc3)cn2)c1 ZINC000008629404 556194183 /nfs/dbraw/zinc/19/41/83/556194183.db2.gz TWPWXXLHGFEDBP-UHFFFAOYSA-N 0 0 433.455 6.747 50 0 IKAARN Clc1ccc(C2=NO[C@H](Cc3ccccc3OCc3c(Cl)cccc3Cl)C2)cc1 ZINC000008636887 556194750 /nfs/dbraw/zinc/19/47/50/556194750.db2.gz PBUYPRFTRLIRRF-GOSISDBHSA-N 0 0 446.761 6.962 50 0 IKAARN Fc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000008636952 556195033 /nfs/dbraw/zinc/19/50/33/556195033.db2.gz WGPFEDIIDVQNKT-FYYLOGMGSA-N 0 0 435.955 6.200 50 0 IKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1F ZINC000008648016 556195601 /nfs/dbraw/zinc/19/56/01/556195601.db2.gz LIQKIELNDWKCRV-UHFFFAOYSA-N 0 0 432.854 5.749 50 0 IKAARN O=C(Nc1ncccc1OCc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000008647897 556195712 /nfs/dbraw/zinc/19/57/12/556195712.db2.gz FURFZPVGGWMWGV-UHFFFAOYSA-N 0 0 442.129 6.527 50 0 IKAARN COc1ccc2c(c1)CC[C@@H]1C2=Nc2ccccc2S[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008648242 556195941 /nfs/dbraw/zinc/19/59/41/556195941.db2.gz JDGSXMVNFYUHTA-YKSBVNFPSA-N 0 0 439.502 7.244 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000008648249 556196009 /nfs/dbraw/zinc/19/60/09/556196009.db2.gz CPUMPVIRPNTBDH-WCQYABFASA-N 0 0 437.968 5.262 50 0 IKAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c(C)c1 ZINC000008672677 556198515 /nfs/dbraw/zinc/19/85/15/556198515.db2.gz JHIPASCAAQGZNS-QGZVFWFLSA-N 0 0 444.815 5.025 50 0 IKAARN Cc1ccc([C@@H]2NC(=Nc3nc4ccccc4o3)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000008682813 556199538 /nfs/dbraw/zinc/19/95/38/556199538.db2.gz UANBWLBZOCDPAT-QHCPKHFHSA-N 0 0 437.503 5.161 50 0 IKAARN Cc1ccc([C@H]2NC(=Nc3nc4ccccc4o3)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000008682812 556199572 /nfs/dbraw/zinc/19/95/72/556199572.db2.gz UANBWLBZOCDPAT-HSZRJFAPSA-N 0 0 437.503 5.161 50 0 IKAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000008684767 556199881 /nfs/dbraw/zinc/19/98/81/556199881.db2.gz LABCXBXQZWMEPM-UHFFFAOYSA-N 0 0 430.316 5.927 50 0 IKAARN Fc1ccccc1/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 ZINC000005800910 556199981 /nfs/dbraw/zinc/19/99/81/556199981.db2.gz LIXXXCZHBUTYLW-QYQHSDTDSA-N 0 0 434.268 6.110 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CSCC4)cc1 ZINC000008706676 556201400 /nfs/dbraw/zinc/20/14/00/556201400.db2.gz JGRKINUTUNMJMP-UHFFFAOYSA-N 0 0 447.585 5.596 50 0 IKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000008714186 556201430 /nfs/dbraw/zinc/20/14/30/556201430.db2.gz NACGRGAEKNTIJU-UHFFFAOYSA-N 0 0 439.898 6.054 50 0 IKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000008715794 556202073 /nfs/dbraw/zinc/20/20/73/556202073.db2.gz JWQAVQVYXUENSC-XMMPIXPASA-N 0 0 445.906 5.497 50 0 IKAARN COc1cc(Br)cc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000008717618 556202438 /nfs/dbraw/zinc/20/24/38/556202438.db2.gz GAWJMJYFQHTHOO-DYESRHJHSA-N 0 0 443.272 5.432 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CC(c4ccccc4)c4ccccc4)cc3)sc2c1 ZINC000008721918 556203029 /nfs/dbraw/zinc/20/30/29/556203029.db2.gz LKCYRSFZBLLMAE-UHFFFAOYSA-N 0 0 448.591 7.432 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(-n2nc3ccccc3n2)c1 ZINC000008721753 556203041 /nfs/dbraw/zinc/20/30/41/556203041.db2.gz YGMIUSDUISBNOZ-UHFFFAOYSA-N 0 0 448.482 5.646 50 0 IKAARN CCCCOc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000008722296 556203432 /nfs/dbraw/zinc/20/34/32/556203432.db2.gz MZERCHKONLNTBP-HSULHUOFSA-N 0 0 444.531 5.102 50 0 IKAARN Clc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 ZINC000008738138 556205022 /nfs/dbraw/zinc/20/50/22/556205022.db2.gz ATZHRUMOZNEMAH-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN CCc1ccc(C(=O)Cn2c(Br)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008738233 556205075 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COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000008740883 556206585 /nfs/dbraw/zinc/20/65/85/556206585.db2.gz COKVFQXVIVPJSY-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000008743716 556208147 /nfs/dbraw/zinc/20/81/47/556208147.db2.gz VKVGQGZCUFWATF-SANMLTNESA-N 0 0 437.543 5.236 50 0 IKAARN CCc1cccc2c(C3=Nn4c(nnc4[C@H]4CCCO4)S[C@@H]3c3ccccc3)c[nH]c21 ZINC000008745059 556208826 /nfs/dbraw/zinc/20/88/26/556208826.db2.gz MTIWRZGFHIXNLW-DENIHFKCSA-N 0 0 429.549 5.273 50 0 IKAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N(Cc1ccco1)C1=CCCCC1 ZINC000008745911 556209382 /nfs/dbraw/zinc/20/93/82/556209382.db2.gz YJROOXCGYZZCLO-UHFFFAOYSA-N 0 0 434.565 5.317 50 0 IKAARN CC(=O)[C@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccccc1 ZINC000008745764 556209447 /nfs/dbraw/zinc/20/94/47/556209447.db2.gz FYJVMTXWNGOQHJ-QHCPKHFHSA-N 0 0 433.508 5.408 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000008746058 556209498 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/nfs/dbraw/zinc/25/92/60/556259260.db2.gz OZLDAJDGPXNNLL-RUZDIDTESA-N 0 0 448.975 5.436 50 0 IKAARN CCc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000009225638 556259547 /nfs/dbraw/zinc/25/95/47/556259547.db2.gz YBVRGQFBUQNCNF-VWLOTQADSA-N 0 0 448.975 5.382 50 0 IKAARN CCc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000009225640 556259555 /nfs/dbraw/zinc/25/95/55/556259555.db2.gz UJAFMKJXGINRCY-RUZDIDTESA-N 0 0 448.975 5.382 50 0 IKAARN O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc2ccccc2o1 ZINC000009226421 556260438 /nfs/dbraw/zinc/26/04/38/556260438.db2.gz VQDDWSHRJMTGES-UHFFFAOYSA-N 0 0 439.880 5.058 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccccc4C)cc3n2)cc1 ZINC000009226576 556260479 /nfs/dbraw/zinc/26/04/79/556260479.db2.gz KLYSGXANANXZFY-UHFFFAOYSA-N 0 0 448.954 5.742 50 0 IKAARN Cc1sc(NC(=O)CCn2c(=O)sc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000009226888 556260634 /nfs/dbraw/zinc/26/06/34/556260634.db2.gz NNKISKLORKOPTD-UHFFFAOYSA-N 0 0 429.954 5.177 50 0 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/nfs/dbraw/zinc/26/76/51/556267651.db2.gz UEYPZLCSNDPWEV-RQZCQDPDSA-N 0 0 435.332 5.285 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C(C)C)c1 ZINC000009262817 556269847 /nfs/dbraw/zinc/26/98/47/556269847.db2.gz WMFLMAGYMACKCF-UHFFFAOYSA-N 0 0 434.487 5.584 50 0 IKAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000009287770 556272086 /nfs/dbraw/zinc/27/20/86/556272086.db2.gz FMFCOHLPZZTWAC-UHFFFAOYSA-N 0 0 425.897 5.522 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000009280845 556272225 /nfs/dbraw/zinc/27/22/25/556272225.db2.gz SITNIHQLQQPZCW-UHFFFAOYSA-N 0 0 438.339 7.004 50 0 IKAARN COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1OC ZINC000009288485 556272791 /nfs/dbraw/zinc/27/27/91/556272791.db2.gz XSWBGWDILKLQHE-XMMPIXPASA-N 0 0 440.503 5.090 50 0 IKAARN COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1OC ZINC000009288484 556272819 /nfs/dbraw/zinc/27/28/19/556272819.db2.gz XSWBGWDILKLQHE-DEOSSOPVSA-N 0 0 440.503 5.090 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccccc2)cc1Cl ZINC000009291029 556274036 /nfs/dbraw/zinc/27/40/36/556274036.db2.gz BBHRXDAHAYETIW-UHFFFAOYSA-N 0 0 441.969 5.083 50 0 IKAARN Cc1sc(/N=c2\cc(-c3cccs3)oc3ccccc32)nc1-c1ccc(C)c(C)c1 ZINC000013685653 556276066 /nfs/dbraw/zinc/27/60/66/556276066.db2.gz SFNMMFYOMBHQEX-LHLOQNFPSA-N 0 0 428.582 7.442 50 0 IKAARN COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 ZINC000013686912 556276708 /nfs/dbraw/zinc/27/67/08/556276708.db2.gz JDWKXMIQBPUTTH-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN Cc1ccc(-n2c(SCc3cccc(Br)c3)nnc2-c2ccccc2)cc1 ZINC000009307531 556277158 /nfs/dbraw/zinc/27/71/58/556277158.db2.gz CSPQMRHTCBRTPV-UHFFFAOYSA-N 0 0 436.378 6.298 50 0 IKAARN COc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 ZINC000009307685 556277568 /nfs/dbraw/zinc/27/75/68/556277568.db2.gz JISMIABZKQPIHX-UHFFFAOYSA-N 0 0 446.359 6.194 50 0 IKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000009307777 556277594 /nfs/dbraw/zinc/27/75/94/556277594.db2.gz KHOMUKDTFUNPGK-UHFFFAOYSA-N 0 0 444.988 5.385 50 0 IKAARN COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000009308116 556277842 /nfs/dbraw/zinc/27/78/42/556277842.db2.gz RIFKWEQWJDELRC-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009308373 556277863 /nfs/dbraw/zinc/27/78/63/556277863.db2.gz MGTDNBUTFODBMM-UHFFFAOYSA-N 0 0 430.577 5.664 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000009308278 556277866 /nfs/dbraw/zinc/27/78/66/556277866.db2.gz HJRFIYANKGYAAI-UHFFFAOYSA-N 0 0 440.878 5.368 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000009308139 556277867 /nfs/dbraw/zinc/27/78/67/556277867.db2.gz AKVPYRGDJDEIDL-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000009308167 556277871 /nfs/dbraw/zinc/27/78/71/556277871.db2.gz OUPZXVAWVCFUCG-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2Cc2ccco2)cc1 ZINC000009308199 556277878 /nfs/dbraw/zinc/27/78/78/556277878.db2.gz TVORRVWRTYOJSP-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000009309029 556278197 /nfs/dbraw/zinc/27/81/97/556278197.db2.gz DHLQOKYPDRCLOI-UHFFFAOYSA-N 0 0 441.644 7.449 50 0 IKAARN Fc1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000009309057 556278200 /nfs/dbraw/zinc/27/82/00/556278200.db2.gz PQUFKCGSZQLFPX-UHFFFAOYSA-N 0 0 430.335 6.673 50 0 IKAARN CC(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1 ZINC000013688575 556278389 /nfs/dbraw/zinc/27/83/89/556278389.db2.gz ANFRNRFZGIOWIN-NTCAYCPXSA-N 0 0 435.354 6.986 50 0 IKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccc2)cc1 ZINC000009309397 556278511 /nfs/dbraw/zinc/27/85/11/556278511.db2.gz SWOQAVBQLSCFKY-UHFFFAOYSA-N 0 0 426.372 6.842 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000009309377 556278530 /nfs/dbraw/zinc/27/85/30/556278530.db2.gz NKSXLYXMYPZGMC-UHFFFAOYSA-N 0 0 444.560 5.291 50 0 IKAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000009309282 556278547 /nfs/dbraw/zinc/27/85/47/556278547.db2.gz PGRKJXRSYDOGGN-UHFFFAOYSA-N 0 0 445.897 6.899 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000009309257 556278555 /nfs/dbraw/zinc/27/85/55/556278555.db2.gz UNGDQELKDFGGIH-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013688993 556278705 /nfs/dbraw/zinc/27/87/05/556278705.db2.gz CDIJFTFOIPENPR-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN COc1ccc(/C=C/C(=O)N(c2ccccc2)[C@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)cc1 ZINC000009310928 556279233 /nfs/dbraw/zinc/27/92/33/556279233.db2.gz MNAKXFMOSHIJJW-JPPXSRKMSA-N 0 0 440.543 5.628 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000013690596 556280046 /nfs/dbraw/zinc/28/00/46/556280046.db2.gz WTUKOZHYVILEJN-QHCPKHFHSA-N 0 0 440.902 5.676 50 0 IKAARN COc1ccc(-c2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(C)c3c(C)n2)cc1 ZINC000013691095 556280345 /nfs/dbraw/zinc/28/03/45/556280345.db2.gz RCPFAQQIYFHCOJ-UHFFFAOYSA-N 0 0 449.532 5.253 50 0 IKAARN COc1ccc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2CC(C)C)cc1 ZINC000009328223 556282273 /nfs/dbraw/zinc/28/22/73/556282273.db2.gz XMWIKGZHSDEVKM-UHFFFAOYSA-N 0 0 429.973 5.162 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3C)c3ccccc3S2)cc1 ZINC000009345562 556283804 /nfs/dbraw/zinc/28/38/04/556283804.db2.gz BFPFSSFQNMUYTN-XMMPIXPASA-N 0 0 446.572 5.521 50 0 IKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc(OC)c1O ZINC000013711994 556284473 /nfs/dbraw/zinc/28/44/73/556284473.db2.gz ATVMJFSOPSSRLZ-UHFFFAOYSA-N 0 0 441.314 6.440 50 0 IKAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 ZINC000013713839 556285772 /nfs/dbraw/zinc/28/57/72/556285772.db2.gz PICHFPOSJGOUDL-UHFFFAOYSA-N 0 0 426.516 5.391 50 0 IKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(Br)cc23)cc1 ZINC000009371770 556286422 /nfs/dbraw/zinc/28/64/22/556286422.db2.gz RVDDEWJJEDAMRU-UHFFFAOYSA-N 0 0 445.360 6.842 50 0 IKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000009371667 556286495 /nfs/dbraw/zinc/28/64/95/556286495.db2.gz CDWCIJCYXBABAZ-JPYJTQIMSA-N 0 0 433.479 5.002 50 0 IKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000009371666 556286501 /nfs/dbraw/zinc/28/65/01/556286501.db2.gz CDWCIJCYXBABAZ-FDDCHVKYSA-N 0 0 433.479 5.002 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000009410763 556288444 /nfs/dbraw/zinc/28/84/44/556288444.db2.gz XOILJQPCBYZIHR-DOMZBBRYSA-N 0 0 426.851 5.511 50 0 IKAARN CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc1 ZINC000009410689 556288461 /nfs/dbraw/zinc/28/84/61/556288461.db2.gz SRUJEYYOENSBBW-ROUUACIJSA-N 0 0 434.487 5.097 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000009424687 556289517 /nfs/dbraw/zinc/28/95/17/556289517.db2.gz PAAZRULKKFCYNS-FXAWDEMLSA-N 0 0 445.769 6.406 50 0 IKAARN Clc1ccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)c(Cl)c1 ZINC000009424850 556289617 /nfs/dbraw/zinc/28/96/17/556289617.db2.gz ONLXKCRAZRRSBV-UHFFFAOYSA-N 0 0 440.153 5.373 50 0 IKAARN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)ccc1O ZINC000009427666 556290878 /nfs/dbraw/zinc/29/08/78/556290878.db2.gz HZIYMHHYNUGNGN-ZRDIBKRKSA-N 0 0 439.298 5.577 50 0 IKAARN COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)c(OC)c1 ZINC000009427246 556290914 /nfs/dbraw/zinc/29/09/14/556290914.db2.gz IHRAWPYLZNIIIH-MRXNPFEDSA-N 0 0 447.922 5.288 50 0 IKAARN CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000009435343 556291593 /nfs/dbraw/zinc/29/15/93/556291593.db2.gz HYOJTPLWOVFZPH-SFTDATJTSA-N 0 0 442.485 5.378 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000009462230 556293112 /nfs/dbraw/zinc/29/31/12/556293112.db2.gz VWQIASPGQISLOM-DHIUTWEWSA-N 0 0 448.860 5.422 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000009478394 556293645 /nfs/dbraw/zinc/29/36/45/556293645.db2.gz GRIFEMOZLNPAJF-UHFFFAOYSA-N 0 0 442.903 5.110 50 0 IKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000009479915 556293776 /nfs/dbraw/zinc/29/37/76/556293776.db2.gz WLXOEKNXIWQOJQ-UHFFFAOYSA-N 0 0 444.988 5.385 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1Cl ZINC000009480022 556293812 /nfs/dbraw/zinc/29/38/12/556293812.db2.gz IKJBZVNNVAJDMZ-UHFFFAOYSA-N 0 0 425.316 5.142 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccc(C)cc1 ZINC000009479395 556293821 /nfs/dbraw/zinc/29/38/21/556293821.db2.gz QSDSPHQGMRRCAE-UHFFFAOYSA-N 0 0 445.386 5.075 50 0 IKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)no1 ZINC000009488175 556294542 /nfs/dbraw/zinc/29/45/42/556294542.db2.gz IKWRDPSHYFCSET-IBGZPJMESA-N 0 0 441.270 5.454 50 0 IKAARN Cc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccc(Cl)cc1 ZINC000009484065 556294553 /nfs/dbraw/zinc/29/45/53/556294553.db2.gz LJNCFABOVVQKAJ-UHFFFAOYSA-N 0 0 445.832 5.333 50 0 IKAARN COc1ccc(CCNC(=O)c2oc(-c3cc(Cl)ccc3Cl)cc2C)cc1OC ZINC000009494960 556294748 /nfs/dbraw/zinc/29/47/48/556294748.db2.gz XIOMPFFCPOQMFI-UHFFFAOYSA-N 0 0 434.319 5.552 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccc(Cl)cc4)C32)cc1 ZINC000009495825 556294851 /nfs/dbraw/zinc/29/48/51/556294851.db2.gz ZHUAVJIBMUZNCL-DNQXCXABSA-N 0 0 442.906 5.500 50 0 IKAARN O=C(C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000013730134 556295097 /nfs/dbraw/zinc/29/50/97/556295097.db2.gz LQJVPJGAGWXOPY-HNNXBMFYSA-N 0 0 448.335 5.049 50 0 IKAARN Cc1cccc(-c2nnc(SCc3ccc(Br)cc3)n2Cc2ccco2)c1 ZINC000009497029 556295200 /nfs/dbraw/zinc/29/52/00/556295200.db2.gz PQAVKTZQKKWPGL-UHFFFAOYSA-N 0 0 440.366 5.950 50 0 IKAARN Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 ZINC000009499237 556295569 /nfs/dbraw/zinc/29/55/69/556295569.db2.gz UPKZVUMQJHVSND-UHFFFAOYSA-N 0 0 449.381 7.695 50 0 IKAARN Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)C[C@H]3c2cccc(O)c2)n1 ZINC000013731374 556295844 /nfs/dbraw/zinc/29/58/44/556295844.db2.gz QFNHGNPXICZRQR-IBGZPJMESA-N 0 0 445.910 5.429 50 0 IKAARN Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)C[C@@H]3c2cccc(O)c2)n1 ZINC000013731372 556295877 /nfs/dbraw/zinc/29/58/77/556295877.db2.gz QFNHGNPXICZRQR-LJQANCHMSA-N 0 0 445.910 5.429 50 0 IKAARN COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000009525788 556296091 /nfs/dbraw/zinc/29/60/91/556296091.db2.gz VWANAJXINXQKSW-UHFFFAOYSA-N 0 0 446.890 5.359 50 0 IKAARN Cc1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000009525782 556296135 /nfs/dbraw/zinc/29/61/35/556296135.db2.gz FTKVUILZGQHVAO-UHFFFAOYSA-N 0 0 444.918 5.968 50 0 IKAARN COc1cc(C)c(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1C(C)C ZINC000009526056 556297074 /nfs/dbraw/zinc/29/70/74/556297074.db2.gz UPQKQVYZTNTSRH-UHFFFAOYSA-N 0 0 428.601 7.476 50 0 IKAARN CCCCOc1ccccc1N1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O ZINC000004451419 556297173 /nfs/dbraw/zinc/29/71/73/556297173.db2.gz MHBRIPPULUNOKM-UHFFFAOYSA-N 0 0 429.560 6.134 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)cc2)cc1 ZINC000009529375 556297409 /nfs/dbraw/zinc/29/74/09/556297409.db2.gz QBZNDTNNBFOFLU-UHFFFAOYSA-N 0 0 447.991 6.540 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000009553494 556297628 /nfs/dbraw/zinc/29/76/28/556297628.db2.gz YEADHWLYTPMGIB-UHFFFAOYSA-N 0 0 429.328 6.288 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009546531 556297655 /nfs/dbraw/zinc/29/76/55/556297655.db2.gz KRRCXFVDSBDXPF-RUZDIDTESA-N 0 0 439.515 5.467 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccccc1F ZINC000009546563 556297677 /nfs/dbraw/zinc/29/76/77/556297677.db2.gz LZQJWRZVQVLKQI-LJQANCHMSA-N 0 0 443.478 5.278 50 0 IKAARN C[C@@H]1C[C@@H](C)CCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000009556693 556297974 /nfs/dbraw/zinc/29/79/74/556297974.db2.gz ZYRVCLZZVJSJRM-UONOGXRCSA-N 0 0 435.515 5.000 50 0 IKAARN CSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@H]1C)Nc1ccc(Br)cc1-2 ZINC000009557720 556298006 /nfs/dbraw/zinc/29/80/06/556298006.db2.gz JGMCBJMVRNZPQS-BTJLNZGRSA-N 0 0 433.375 5.146 50 0 IKAARN COc1ccc(Cl)cc1C(c1c(C)n(C)c2ccccc21)c1c(C)n(C)c2ccccc21 ZINC000009557707 556298011 /nfs/dbraw/zinc/29/80/11/556298011.db2.gz YMUAWEQUOVFBNJ-UHFFFAOYSA-N 0 0 442.990 7.129 50 0 IKAARN CSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@H]1C)Nc1ccc(Br)cc1-2 ZINC000009557723 556298018 /nfs/dbraw/zinc/29/80/18/556298018.db2.gz JGMCBJMVRNZPQS-CJBNDPTMSA-N 0 0 433.375 5.146 50 0 IKAARN COc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 ZINC000013739209 556298045 /nfs/dbraw/zinc/29/80/45/556298045.db2.gz UNLXTWJDLIMWLY-UHFFFAOYSA-N 0 0 427.356 7.536 50 0 IKAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)OC4CCCCCCC4)c(C)c3C(=O)C2)c1 ZINC000009559777 556298063 /nfs/dbraw/zinc/29/80/63/556298063.db2.gz QRLZCSPODIWRTK-KRWDZBQOSA-N 0 0 439.552 5.523 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013749285 556298792 /nfs/dbraw/zinc/29/87/92/556298792.db2.gz PAAZRULKKFCYNS-YLJYHZDGSA-N 0 0 445.769 6.406 50 0 IKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)cc1 ZINC000013751046 556299011 /nfs/dbraw/zinc/29/90/11/556299011.db2.gz MFSGSBQMJYAGOJ-TZIWHRDSSA-N 0 0 440.728 5.740 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000013751937 556299433 /nfs/dbraw/zinc/29/94/33/556299433.db2.gz RFQBIYMAMILLPK-KNQAVFIVSA-N 0 0 439.309 5.601 50 0 IKAARN CCOc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)cc1 ZINC000013751996 556299436 /nfs/dbraw/zinc/29/94/36/556299436.db2.gz CVBMWHOFVXUVQK-UHFFFAOYSA-N 0 0 435.574 5.796 50 0 IKAARN COc1cc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc(OC)c1 ZINC000009561413 556299487 /nfs/dbraw/zinc/29/94/87/556299487.db2.gz YQGVRCJTPNFINV-NRFANRHFSA-N 0 0 439.874 5.748 50 0 IKAARN Cc1cc(N[C@@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)ccc1Br ZINC000009561403 556299511 /nfs/dbraw/zinc/29/95/11/556299511.db2.gz ZQDOSOBLNAPWNP-HXUWFJFHSA-N 0 0 438.300 6.148 50 0 IKAARN Cc1ccc(C)c(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 ZINC000009561422 556299744 /nfs/dbraw/zinc/29/97/44/556299744.db2.gz IXOOUMSRQJYFOM-OAQYLSRUSA-N 0 0 425.866 6.487 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(C)c1 ZINC000009561432 556299900 /nfs/dbraw/zinc/29/99/00/556299900.db2.gz XXIMBJOFCNWHGA-OAQYLSRUSA-N 0 0 425.866 6.487 50 0 IKAARN Cc1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc1-c1cccc(Cl)c1 ZINC000009581274 556300403 /nfs/dbraw/zinc/30/04/03/556300403.db2.gz LIFJDJFZJDYHBL-INIZCTEOSA-N 0 0 425.941 5.072 50 0 IKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccc(C(C)C)cc2)N1c1ccc(Cl)cc1 ZINC000009579532 556300427 /nfs/dbraw/zinc/30/04/27/556300427.db2.gz QSHVOCDTLBRJHZ-SANMLTNESA-N 0 0 431.967 6.700 50 0 IKAARN Clc1ccccc1-c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 ZINC000009593073 556301450 /nfs/dbraw/zinc/30/14/50/556301450.db2.gz FYDFIXKGEYGTDK-CYFREDJKSA-N 0 0 432.932 6.904 50 0 IKAARN COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000013759645 556301823 /nfs/dbraw/zinc/30/18/23/556301823.db2.gz TXBYRYOKBQVBOM-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Br)cc1 ZINC000013763838 556301872 /nfs/dbraw/zinc/30/18/72/556301872.db2.gz XJNTXKQWDVFJFZ-RCCKNPSSSA-N 0 0 435.321 5.167 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1-c1nc2ncccc2o1 ZINC000009600976 556302470 /nfs/dbraw/zinc/30/24/70/556302470.db2.gz UHMRUVCXPQNASF-UHFFFAOYSA-N 0 0 429.863 6.364 50 0 IKAARN CCOc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(Cl)c1OCC ZINC000009601925 556302813 /nfs/dbraw/zinc/30/28/13/556302813.db2.gz DIIMFBDCNGLCDZ-LJQANCHMSA-N 0 0 444.944 5.214 50 0 IKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000009606525 556302991 /nfs/dbraw/zinc/30/29/91/556302991.db2.gz PBGXZANPRWDLNE-HXUWFJFHSA-N 0 0 446.284 6.832 50 0 IKAARN COc1ccc(Cl)cc1N[C@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(Cl)cc1 ZINC000009606530 556303025 /nfs/dbraw/zinc/30/30/25/556303025.db2.gz HFZUOOCIBBZKIE-FQEVSTJZSA-N 0 0 444.293 6.393 50 0 IKAARN CCCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606464 556303052 /nfs/dbraw/zinc/30/30/52/556303052.db2.gz NDGIPTDNCMRAIK-UHFFFAOYSA-N 0 0 435.774 6.283 50 0 IKAARN CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606799 556303066 /nfs/dbraw/zinc/30/30/66/556303066.db2.gz BQTJEQCGLUDEBT-UHFFFAOYSA-N 0 0 447.354 5.257 50 0 IKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000032741481 556303077 /nfs/dbraw/zinc/30/30/77/556303077.db2.gz PWIJASYAUYPUNJ-UHFFFAOYSA-N 0 0 439.559 5.949 50 0 IKAARN CCN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606928 556303326 /nfs/dbraw/zinc/30/33/26/556303326.db2.gz NJTKVLFPYHUWPU-UHFFFAOYSA-N 0 0 436.762 6.284 50 0 IKAARN C[C@@H](Sc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1nnc(-c2cccs2)o1 ZINC000032741642 556303355 /nfs/dbraw/zinc/30/33/55/556303355.db2.gz LJIHNCQMHZTZJI-NXEZZACHSA-N 0 0 429.596 5.363 50 0 IKAARN O=C([C@H](Sc1nnc(-c2ccccc2)c2ccccc21)c1ccccc1)N1CCCC1 ZINC000032741665 556303399 /nfs/dbraw/zinc/30/33/99/556303399.db2.gz JZHVDQCESPXVLU-XMMPIXPASA-N 0 0 425.557 5.753 50 0 IKAARN Cc1ccc(-c2nnc([C@H](C)Sc3nc4sc5c(c4c(N)n3)CC[C@H](C)C5)o2)cc1 ZINC000032741637 556303425 /nfs/dbraw/zinc/30/34/25/556303425.db2.gz OFZISRUMFTVDHP-STQMWFEESA-N 0 0 437.594 5.610 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2CCc2ccccc2)[C@H]3CCC1 ZINC000009614289 556303602 /nfs/dbraw/zinc/30/36/02/556303602.db2.gz OEEUGWDXCKQBCB-NDEPHWFRSA-N 0 0 434.583 6.268 50 0 IKAARN C[C@@H](c1ccccc1)n1cnc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21 ZINC000009614325 556303658 /nfs/dbraw/zinc/30/36/58/556303658.db2.gz JFIKFLBHVXGCIU-HNNXBMFYSA-N 0 0 431.948 6.766 50 0 IKAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2CCc2ccccc2)[C@@H]3CCC1 ZINC000009614288 556303681 /nfs/dbraw/zinc/30/36/81/556303681.db2.gz OEEUGWDXCKQBCB-MUUNZHRXSA-N 0 0 434.583 6.268 50 0 IKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)Cc1ccccc1 ZINC000009614290 556303687 /nfs/dbraw/zinc/30/36/87/556303687.db2.gz KUHSQJPFNXXUNO-UHFFFAOYSA-N 0 0 433.507 6.378 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013768362 556304052 /nfs/dbraw/zinc/30/40/52/556304052.db2.gz JNBFYKPRYOJVCI-XXBNENTESA-N 0 0 439.298 5.964 50 0 IKAARN COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)c(C)c4)=NN32)cc(OC)c1OC ZINC000013769805 556304622 /nfs/dbraw/zinc/30/46/22/556304622.db2.gz USRLRTYQDYXFBT-CUNXSJBXSA-N 0 0 444.531 5.572 50 0 IKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013769285 556304628 /nfs/dbraw/zinc/30/46/28/556304628.db2.gz CUUHNKSDTZCGIL-HYBUGGRVSA-N 0 0 434.879 5.320 50 0 IKAARN Brc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013770284 556304932 /nfs/dbraw/zinc/30/49/32/556304932.db2.gz GVRVYQAAZNPRCM-WMZHIEFXSA-N 0 0 449.304 5.420 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4cccc(Cl)c4)c3n2)cc1OC ZINC000009668612 556305229 /nfs/dbraw/zinc/30/52/29/556305229.db2.gz GUCGKLITCYWPQU-UHFFFAOYSA-N 0 0 447.844 6.085 50 0 IKAARN O=C(c1ccc(Br)o1)N(C[C@@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000022889506 556305494 /nfs/dbraw/zinc/30/54/94/556305494.db2.gz XINGSUWHBMIKNC-JTQLQIEISA-N 0 0 441.734 5.131 50 0 IKAARN CC(C)c1ccc(-n2c(=O)c3cnn(-c4ccc(Cl)cc4)c3nc2-c2ccco2)cc1 ZINC000009678208 556305897 /nfs/dbraw/zinc/30/58/97/556305897.db2.gz KHQGJLDFWIODMB-UHFFFAOYSA-N 0 0 430.895 5.608 50 0 IKAARN Clc1ccccc1-c1nnc([C@@H](Nc2ccccc2Br)c2ccccc2)o1 ZINC000009683258 556306224 /nfs/dbraw/zinc/30/62/24/556306224.db2.gz KKKMKRCJUNKBJA-IBGZPJMESA-N 0 0 440.728 6.354 50 0 IKAARN COc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4C(C)(C)C)c(=O)c23)cc1 ZINC000032736380 556306275 /nfs/dbraw/zinc/30/62/75/556306275.db2.gz OZXVFPAEYZEDGU-UHFFFAOYSA-N 0 0 447.560 5.070 50 0 IKAARN Cc1nn2c(nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1-c1ccccc1 ZINC000009698408 556306511 /nfs/dbraw/zinc/30/65/11/556306511.db2.gz DLYYDTRJNQZHTO-UHFFFAOYSA-N 0 0 435.487 5.453 50 0 IKAARN Cc1nn2c(ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000009698367 556306685 /nfs/dbraw/zinc/30/66/85/556306685.db2.gz VDTQQMWDFUBKIJ-FQEVSTJZSA-N 0 0 429.951 6.394 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013776575 556307424 /nfs/dbraw/zinc/30/74/24/556307424.db2.gz DBYKDXLWCPTVHU-AUSIDOKSSA-N 0 0 439.298 5.964 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1Br ZINC000013776745 556307430 /nfs/dbraw/zinc/30/74/30/556307430.db2.gz FVAQXQHMGOSKMN-UTKZUKDTSA-N 0 0 441.350 5.762 50 0 IKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1Cl ZINC000013776434 556307470 /nfs/dbraw/zinc/30/74/70/556307470.db2.gz YHLOHODZHWFWOD-AUSIDOKSSA-N 0 0 439.298 5.964 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN32)cc1 ZINC000013777685 556307715 /nfs/dbraw/zinc/30/77/15/556307715.db2.gz JAOYOUSNBVRZMF-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4Cl)=NN32)c1 ZINC000013778936 556308190 /nfs/dbraw/zinc/30/81/90/556308190.db2.gz NGWJHFYUNHTFHH-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013778780 556308207 /nfs/dbraw/zinc/30/82/07/556308207.db2.gz GCKILJIWMZTSLR-NJDAHSKKSA-N 0 0 439.298 5.045 50 0 IKAARN Cc1ccc(C)c(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)c1 ZINC000009761220 556308239 /nfs/dbraw/zinc/30/82/39/556308239.db2.gz SMSLOIUGSBNHEV-QFIPXVFZSA-N 0 0 433.577 6.983 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013778778 556308277 /nfs/dbraw/zinc/30/82/77/556308277.db2.gz GCKILJIWMZTSLR-QHAWAJNXSA-N 0 0 439.298 5.045 50 0 IKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN32)c1 ZINC000013778937 556308294 /nfs/dbraw/zinc/30/82/94/556308294.db2.gz NGWJHFYUNHTFHH-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN CCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000009763648 556308552 /nfs/dbraw/zinc/30/85/52/556308552.db2.gz MDDUSWUAFKBWRN-UHFFFAOYSA-N 0 0 427.298 5.700 50 0 IKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000009780373 556308693 /nfs/dbraw/zinc/30/86/93/556308693.db2.gz CGGJPQBOGMMGRQ-BYNQJWBRSA-N 0 0 446.926 5.661 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1 ZINC000013785629 556308793 /nfs/dbraw/zinc/30/87/93/556308793.db2.gz OLZQGPCJZHUFQL-NRFANRHFSA-N 0 0 425.315 5.994 50 0 IKAARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1 ZINC000013785726 556308890 /nfs/dbraw/zinc/30/88/90/556308890.db2.gz OAJKUGWIHNLMKF-STZFKDTASA-N 0 0 432.549 5.103 50 0 IKAARN O=c1c2cc(F)ccc2occ1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013785713 556308902 /nfs/dbraw/zinc/30/89/02/556308902.db2.gz YLDPJMZMPKQVDV-PXDATVDWSA-N 0 0 446.865 5.828 50 0 IKAARN COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000013786155 556309048 /nfs/dbraw/zinc/30/90/48/556309048.db2.gz SWPZOBJVMLVQAG-NQIIRXRSSA-N 0 0 441.350 5.762 50 0 IKAARN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013786117 556309171 /nfs/dbraw/zinc/30/91/71/556309171.db2.gz QUHMVBBGDIYJNQ-BKUYFWCQSA-N 0 0 434.278 6.751 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2Cc2ccco2)cc1 ZINC000013787492 556309480 /nfs/dbraw/zinc/30/94/80/556309480.db2.gz LQCRXNJSFVFMPE-UHFFFAOYSA-N 0 0 432.549 5.242 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccc(F)cc4)cc3)[nH]2)cc1 ZINC000013799087 556309796 /nfs/dbraw/zinc/30/97/96/556309796.db2.gz KDCRPQMXTCIEBF-UHFFFAOYSA-N 0 0 448.497 6.789 50 0 IKAARN Cc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C ZINC000013800928 556310476 /nfs/dbraw/zinc/31/04/76/556310476.db2.gz YSRJNBIZEHMUJG-RCZVLFRGSA-N 0 0 429.907 5.021 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1c(Cl)cccc1Cl ZINC000013801824 556310568 /nfs/dbraw/zinc/31/05/68/556310568.db2.gz VEACORFRNSYZLZ-JLHYYAGUSA-N 0 0 427.718 6.516 50 0 IKAARN O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013804183 556310827 /nfs/dbraw/zinc/31/08/27/556310827.db2.gz IXXVOBDQVAYGAH-VWLOTQADSA-N 0 0 437.543 5.112 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2CC)cc1 ZINC000013803834 556310937 /nfs/dbraw/zinc/31/09/37/556310937.db2.gz UCONQMZJZRHSQR-SFHVURJKSA-N 0 0 438.597 5.430 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccc(Br)cc1 ZINC000013809949 556311491 /nfs/dbraw/zinc/31/14/91/556311491.db2.gz MOBVGPUMJXIFMT-VGOFMYFVSA-N 0 0 437.724 5.972 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc1OC ZINC000013811134 556312283 /nfs/dbraw/zinc/31/22/83/556312283.db2.gz GIESZTPKBDAZOZ-UHFFFAOYSA-N 0 0 435.867 5.327 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000013811416 556312616 /nfs/dbraw/zinc/31/26/16/556312616.db2.gz ZJHYWCDBMLSWBM-WBMJQRKESA-N 0 0 439.965 5.310 50 0 IKAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCc3ccc(C)cc3)n2n1 ZINC000009831118 556312618 /nfs/dbraw/zinc/31/26/18/556312618.db2.gz JBWJUHXERFTVNR-UHFFFAOYSA-N 0 0 447.546 5.099 50 0 IKAARN Cc1cc(C)c2nc(Nc3nc(C)c(Cc4cccc5ccccc54)c(=O)[nH]3)nc(C)c2c1 ZINC000009846924 556313496 /nfs/dbraw/zinc/31/34/96/556313496.db2.gz QPLKBVZGILSSKL-UHFFFAOYSA-N 0 0 435.531 5.434 50 0 IKAARN COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1 ZINC000207617458 556314292 /nfs/dbraw/zinc/31/42/92/556314292.db2.gz XTJZKALDRPVFSN-HNNXBMFYSA-N 0 0 431.544 5.024 50 0 in-vitro IKAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4ccccc4)nn3cnc1O2 ZINC000013816593 556314527 /nfs/dbraw/zinc/31/45/27/556314527.db2.gz ZDKBTSCUKZQZNW-OAQYLSRUSA-N 0 0 446.470 5.164 50 0 IKAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2cccc(OC)c2)c1 ZINC000009861275 556314652 /nfs/dbraw/zinc/31/46/52/556314652.db2.gz DYILXTIHIFNPAX-RUZDIDTESA-N 0 0 432.520 5.259 50 0 IKAARN CCCn1c2ccc(Cl)cc2nc1S[C@H](C)c1nnc(-c2ccc(OC)cc2)o1 ZINC000032745328 556315077 /nfs/dbraw/zinc/31/50/77/556315077.db2.gz KDWHYLGJTXRKEM-CYBMUJFWSA-N 0 0 428.945 6.012 50 0 IKAARN O=C(Cc1noc2ccccc12)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032747496 556315954 /nfs/dbraw/zinc/31/59/54/556315954.db2.gz VGNYADOLDZRRPU-IBGZPJMESA-N 0 0 429.907 5.453 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 ZINC000009906113 556316030 /nfs/dbraw/zinc/31/60/30/556316030.db2.gz UNCALGYYYOPUIN-UHFFFAOYSA-N 0 0 446.270 6.486 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000009908147 556316318 /nfs/dbraw/zinc/31/63/18/556316318.db2.gz KSUCJXWOYJQGEJ-UHFFFAOYSA-N 0 0 427.529 5.473 50 0 IKAARN CCc1ccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000013828263 556316340 /nfs/dbraw/zinc/31/63/40/556316340.db2.gz NHAJYTMKHOBLDL-UHFFFAOYSA-N 0 0 433.596 5.307 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009909584 556316729 /nfs/dbraw/zinc/31/67/29/556316729.db2.gz YJEQDFGLTOGVHW-WMHJFFNYSA-N 0 0 438.612 5.305 50 0 IKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)c1 ZINC000009933409 556317027 /nfs/dbraw/zinc/31/70/27/556317027.db2.gz MSICXSIPUOQGDU-UHFFFAOYSA-N 0 0 445.444 6.782 50 0 IKAARN CC(C)c1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1 ZINC000013843196 556318131 /nfs/dbraw/zinc/31/81/31/556318131.db2.gz NFIUMOADNYRJIG-UHFFFAOYSA-N 0 0 446.375 6.566 50 0 IKAARN CC(C)(C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000013844911 556318821 /nfs/dbraw/zinc/31/88/21/556318821.db2.gz OGHCBNCKGYTQKR-DEOSSOPVSA-N 0 0 449.381 7.485 50 0 IKAARN O=C(Nc1nnc(CCc2ccccc2)s1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000009971357 556319300 /nfs/dbraw/zinc/31/93/00/556319300.db2.gz PRCGBCCPMNJYAC-JOCHJYFZSA-N 0 0 431.586 5.795 50 0 IKAARN Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000009972150 556319447 /nfs/dbraw/zinc/31/94/47/556319447.db2.gz URZMLKUPLUEUFL-UHFFFAOYSA-N 0 0 428.488 6.033 50 0 IKAARN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CCCC2)cc1 ZINC000009972111 556319463 /nfs/dbraw/zinc/31/94/63/556319463.db2.gz DSUFVMTUGRCXLT-CSKARUKUSA-N 0 0 427.331 6.506 50 0 IKAARN CCc1ccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)cc1 ZINC000009972895 556319799 /nfs/dbraw/zinc/31/97/99/556319799.db2.gz ARBHSBYZRDRHTI-ILBGXUMGSA-N 0 0 437.568 5.378 50 0 IKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C(C)(C)C)C[C@H](C(C)(C)C)CC2 ZINC000009994997 556320192 /nfs/dbraw/zinc/32/01/92/556320192.db2.gz ADUKXRHDHNQXJK-OAHLLOKOSA-N 0 0 442.625 6.145 50 0 IKAARN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc(F)cc2)cc1OC ZINC000013856462 556321041 /nfs/dbraw/zinc/32/10/41/556321041.db2.gz PNVRKQCJSCNREB-QHCPKHFHSA-N 0 0 431.467 5.193 50 0 IKAARN Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000032754127 556323500 /nfs/dbraw/zinc/32/35/00/556323500.db2.gz OCLLONJAWHHPGH-JYFHCDHNSA-N 0 0 426.560 5.364 50 0 IKAARN Clc1ccc(OCc2nnc(SCc3noc(-c4ccccc4Cl)n3)o2)cc1 ZINC000032754524 556323811 /nfs/dbraw/zinc/32/38/11/556323811.db2.gz PAWSVZHRHQMLOH-UHFFFAOYSA-N 0 0 435.292 5.298 50 0 IKAARN Cc1cccc(CSc2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2C)c1 ZINC000013880086 556325321 /nfs/dbraw/zinc/32/53/21/556325321.db2.gz GAYDQRLSDKABMH-UHFFFAOYSA-N 0 0 432.524 5.474 50 0 IKAARN Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000013880439 556325732 /nfs/dbraw/zinc/32/57/32/556325732.db2.gz XFQABZFFVGPTQF-CABCVRRESA-N 0 0 439.144 5.076 50 0 IKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 ZINC000013880568 556325938 /nfs/dbraw/zinc/32/59/38/556325938.db2.gz LMULLJMHISXWCU-UHFFFAOYSA-N 0 0 444.004 5.276 50 0 IKAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 ZINC000013881273 556326304 /nfs/dbraw/zinc/32/63/04/556326304.db2.gz ZZLLREFCZHPBSY-UHFFFAOYSA-N 0 0 432.524 5.649 50 0 IKAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)C(c1ccccc1)c1ccccc1 ZINC000010128817 556326524 /nfs/dbraw/zinc/32/65/24/556326524.db2.gz VWOHCYCEPJLTKE-UHFFFAOYSA-N 0 0 431.491 6.231 50 0 IKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000032776651 556326830 /nfs/dbraw/zinc/32/68/30/556326830.db2.gz NYBWREXGGZWUGC-SFHVURJKSA-N 0 0 428.941 5.203 50 0 IKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000032776652 556326943 /nfs/dbraw/zinc/32/69/43/556326943.db2.gz NYBWREXGGZWUGC-GOSISDBHSA-N 0 0 428.941 5.203 50 0 IKAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 ZINC000013893407 556327477 /nfs/dbraw/zinc/32/74/77/556327477.db2.gz NTUUEGNLHWOMJX-BTYSJIOQSA-N 0 0 432.567 7.001 50 0 IKAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 ZINC000013893412 556327531 /nfs/dbraw/zinc/32/75/31/556327531.db2.gz NTUUEGNLHWOMJX-RNWIMVQKSA-N 0 0 432.567 7.001 50 0 IKAARN CSc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000013893739 556327801 /nfs/dbraw/zinc/32/78/01/556327801.db2.gz RGDVAXLIEUCWQH-DEOSSOPVSA-N 0 0 434.586 5.435 50 0 IKAARN O=C1c2ccccc2[C@@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccc2c(c1)OCO2 ZINC000013894605 556328192 /nfs/dbraw/zinc/32/81/92/556328192.db2.gz WAZUNAAXYFEUQU-NRFANRHFSA-N 0 0 426.394 5.201 50 0 IKAARN Cc1cccc(C2=N/C(=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)O2)c1 ZINC000013894763 556328685 /nfs/dbraw/zinc/32/86/85/556328685.db2.gz CKEBNJFUUDXFKG-LPYMAVHISA-N 0 0 438.310 6.225 50 0 IKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000013895814 556329272 /nfs/dbraw/zinc/32/92/72/556329272.db2.gz KGPSMYKFMANSGN-UHFFFAOYSA-N 0 0 435.332 5.633 50 0 IKAARN C[C@@H](NC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013896732 556329882 /nfs/dbraw/zinc/32/98/82/556329882.db2.gz DDSHFZIWICAVGS-AOXVDABRSA-N 0 0 446.591 5.919 50 0 IKAARN O=C(Oc1ccc(Br)cc1C(=S)N1CCCC1)c1ccc2ccccc2c1 ZINC000013897322 556329898 /nfs/dbraw/zinc/32/98/98/556329898.db2.gz QQQWGEIRGUIPEC-UHFFFAOYSA-N 0 0 440.362 5.593 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000013897851 556330295 /nfs/dbraw/zinc/33/02/95/556330295.db2.gz GABTVQWWHRMMLS-HHHXNRCGSA-N 0 0 447.962 5.779 50 0 IKAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1C ZINC000013936102 556336092 /nfs/dbraw/zinc/33/60/92/556336092.db2.gz WCOKWMZYCNDGBQ-UHFFFAOYSA-N 0 0 445.997 5.567 50 0 IKAARN Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000013936106 556336098 /nfs/dbraw/zinc/33/60/98/556336098.db2.gz NZTCKPWMZCCFBG-UHFFFAOYSA-N 0 0 445.997 5.567 50 0 IKAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1 ZINC000013936241 556336107 /nfs/dbraw/zinc/33/61/07/556336107.db2.gz XIABXHVMSUDZHL-UHFFFAOYSA-N 0 0 425.579 5.222 50 0 IKAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000013936256 556336215 /nfs/dbraw/zinc/33/62/15/556336215.db2.gz RQDBSUXZVNDXLG-UHFFFAOYSA-N 0 0 447.585 5.758 50 0 IKAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCCCC1 ZINC000011024100 556339093 /nfs/dbraw/zinc/33/90/93/556339093.db2.gz CLWUYTGIBRKIRP-KAMYIIQDSA-N 0 0 436.353 5.328 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1 ZINC000013942494 556339742 /nfs/dbraw/zinc/33/97/42/556339742.db2.gz OIIDYAJILYHOFN-NFQMXDRXSA-N 0 0 438.527 5.568 50 0 IKAARN COc1ccc(N(C(=O)c2ccccc2F)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000013942611 556339998 /nfs/dbraw/zinc/33/99/98/556339998.db2.gz GHGLTTGCTQANCZ-UHFFFAOYSA-N 0 0 434.511 5.515 50 0 IKAARN COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)cc1 ZINC000013942517 556340035 /nfs/dbraw/zinc/34/00/35/556340035.db2.gz NZCBZAGRDKZUKT-UHFFFAOYSA-N 0 0 445.544 5.310 50 0 IKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000013942733 556340365 /nfs/dbraw/zinc/34/03/65/556340365.db2.gz PVGNHLSZDKOIGN-BCHFMIIMSA-N 0 0 442.946 6.213 50 0 IKAARN Cc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c(C)c1 ZINC000013942939 556340429 /nfs/dbraw/zinc/34/04/29/556340429.db2.gz DKZJACXEOMMXKP-SANMLTNESA-N 0 0 433.935 5.273 50 0 IKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C2CCCCC2)c1 ZINC000013943868 556341072 /nfs/dbraw/zinc/34/10/72/556341072.db2.gz LGJMUUUJBQTCNM-MUUNZHRXSA-N 0 0 436.555 6.721 50 0 IKAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 ZINC000013944075 556341101 /nfs/dbraw/zinc/34/11/01/556341101.db2.gz MXEGLXMDAKOVPN-UHFFFAOYSA-N 0 0 440.594 5.457 50 0 IKAARN COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@@H]2c2c(C)n(C)c3ccccc32)cc1OC ZINC000013945662 556342640 /nfs/dbraw/zinc/34/26/40/556342640.db2.gz XGDXSKOQQJAEBZ-HHHXNRCGSA-N 0 0 444.575 5.501 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000013945514 556342647 /nfs/dbraw/zinc/34/26/47/556342647.db2.gz XFUPTBRSIIOCOI-UHFFFAOYSA-N 0 0 429.303 5.192 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000013946077 556343388 /nfs/dbraw/zinc/34/33/88/556343388.db2.gz NJXJMXUYPZGVTK-UHFFFAOYSA-N 0 0 439.342 7.351 50 0 IKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)nc2c1 ZINC000013946101 556343406 /nfs/dbraw/zinc/34/34/06/556343406.db2.gz MFAKRCPRSZNYGH-QGZVFWFLSA-N 0 0 428.532 6.643 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000013946081 556343408 /nfs/dbraw/zinc/34/34/08/556343408.db2.gz JOAGDLVCTAVUEX-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl ZINC000013946097 556343439 /nfs/dbraw/zinc/34/34/39/556343439.db2.gz VZVWASYZCGGREO-UHFFFAOYSA-N 0 0 434.923 6.841 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4)c3)oc2c1 ZINC000013946093 556343451 /nfs/dbraw/zinc/34/34/51/556343451.db2.gz BPFWMLWLXLSUHY-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)oc2c1 ZINC000013946094 556343456 /nfs/dbraw/zinc/34/34/56/556343456.db2.gz KQZHQJQCMKUKDI-NTUHNPAUSA-N 0 0 430.935 7.232 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC(F)(F)F)c(C)c1C ZINC000011662032 556343558 /nfs/dbraw/zinc/34/35/58/556343558.db2.gz ZKZGDTURRKYVPC-QHCPKHFHSA-N 0 0 430.470 5.610 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 ZINC000013946123 556343723 /nfs/dbraw/zinc/34/37/23/556343723.db2.gz DENZKLNBFPVDLM-UHFFFAOYSA-N 0 0 435.325 5.306 50 0 IKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000013946153 556343745 /nfs/dbraw/zinc/34/37/45/556343745.db2.gz AEVPNWDWMJABPK-NTCAYCPXSA-N 0 0 434.495 7.024 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(Br)cc1Cl ZINC000013946295 556343762 /nfs/dbraw/zinc/34/37/62/556343762.db2.gz DPVMMTUJPKLFIH-UHFFFAOYSA-N 0 0 441.822 5.522 50 0 IKAARN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c(O)c1 ZINC000013946138 556343787 /nfs/dbraw/zinc/34/37/87/556343787.db2.gz MAJWMFDGACZPKP-JXMROGBWSA-N 0 0 426.925 5.449 50 0 IKAARN Cc1nc2sc(-c3ccccc3)cc2c(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000032779237 556344513 /nfs/dbraw/zinc/34/45/13/556344513.db2.gz QKEKITFBHDEMDR-HNNXBMFYSA-N 0 0 437.590 5.268 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000013954928 556344516 /nfs/dbraw/zinc/34/45/16/556344516.db2.gz CIDOXPCFFXNEAW-UHFFFAOYSA-N 0 0 429.328 6.531 50 0 IKAARN O=C(Cc1ccccc1)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000013955046 556344524 /nfs/dbraw/zinc/34/45/24/556344524.db2.gz NCFCPORGCBDLNH-UHFFFAOYSA-N 0 0 448.478 5.461 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000013955063 556344561 /nfs/dbraw/zinc/34/45/61/556344561.db2.gz VFLUSTQOMUBISC-MRXNPFEDSA-N 0 0 433.895 5.771 50 0 IKAARN CCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000013955538 556344832 /nfs/dbraw/zinc/34/48/32/556344832.db2.gz LJBYWYWIOGJJHK-HFJWLAOPSA-N 0 0 431.580 5.497 50 0 IKAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCC[C@H]1CCc1ccccn1 ZINC000011665216 556345775 /nfs/dbraw/zinc/34/57/75/556345775.db2.gz RROWMKVSCUOMLC-SFHVURJKSA-N 0 0 443.906 5.069 50 0 IKAARN O=C1N[C@H](CC(F)(F)F)Nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000013958241 556346000 /nfs/dbraw/zinc/34/60/00/556346000.db2.gz DWJRGXVHCXJDKY-SECBINFHSA-N 0 0 437.390 5.477 50 0 IKAARN Cc1ccc(C(C)C)c(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 ZINC000011667143 556346014 /nfs/dbraw/zinc/34/60/14/556346014.db2.gz WZGAOIAAPNRTRC-UHFFFAOYSA-N 0 0 431.536 5.412 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccccc1Cl)oc(=O)cc2-c1ccccc1 ZINC000011692382 556346885 /nfs/dbraw/zinc/34/68/85/556346885.db2.gz LUTOCBVMSZFPGN-UHFFFAOYSA-N 0 0 446.974 7.815 50 0 IKAARN CCCCCCc1cc2c(cc1OCc1ccccc1F)oc(=O)cc2-c1ccccc1 ZINC000011692377 556346896 /nfs/dbraw/zinc/34/68/96/556346896.db2.gz OQYUYRADEDZCCX-UHFFFAOYSA-N 0 0 430.519 7.301 50 0 IKAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccn(COc2ccccc2)n1 ZINC000013959945 556347092 /nfs/dbraw/zinc/34/70/92/556347092.db2.gz VAALHHIMPXOBTR-UHFFFAOYSA-N 0 0 434.565 5.096 50 0 IKAARN CCOc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)ccc1OC(F)F ZINC000013960133 556347229 /nfs/dbraw/zinc/34/72/29/556347229.db2.gz UXHGOMSCAOYHLA-UHFFFAOYSA-N 0 0 442.249 5.636 50 0 IKAARN Cc1ccsc1C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000011700546 556347296 /nfs/dbraw/zinc/34/72/96/556347296.db2.gz WMPBITVQWJGSSB-UHFFFAOYSA-N 0 0 438.637 5.170 50 0 IKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(Cl)cccc2Cl)cc1 ZINC000013960310 556347667 /nfs/dbraw/zinc/34/76/67/556347667.db2.gz FIRVKWVBTOMTTC-UHFFFAOYSA-N 0 0 444.402 6.519 50 0 IKAARN CCn1ncc(Cl)c1CN(C)C(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000013960308 556347728 /nfs/dbraw/zinc/34/77/28/556347728.db2.gz HTOUAAMQEZCRQA-UHFFFAOYSA-N 0 0 441.837 5.019 50 0 IKAARN C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)c(Cl)c2-c2cccc(OC)c2)cc1 ZINC000013960669 556347932 /nfs/dbraw/zinc/34/79/32/556347932.db2.gz PCRMIRLPFCSYJG-UHFFFAOYSA-N 0 0 430.935 6.579 50 0 IKAARN COc1cccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)c1 ZINC000013960572 556347967 /nfs/dbraw/zinc/34/79/67/556347967.db2.gz MRBHKSWBSXMRDV-UHFFFAOYSA-N 0 0 447.376 6.653 50 0 IKAARN COc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000013960518 556348001 /nfs/dbraw/zinc/34/80/01/556348001.db2.gz JZBXXSFYYHCUJW-UHFFFAOYSA-N 0 0 429.307 5.243 50 0 IKAARN Cc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000013960560 556348038 /nfs/dbraw/zinc/34/80/38/556348038.db2.gz TWFALSVOXSUJCQ-UHFFFAOYSA-N 0 0 431.377 6.953 50 0 IKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2nc(-c3ccccc3)cs2)c1-c1ccc(C)c(C)c1 ZINC000013960778 556348315 /nfs/dbraw/zinc/34/83/15/556348315.db2.gz QZIFEFMAYJDZND-UHFFFAOYSA-N 0 0 449.623 7.872 50 0 IKAARN O=C(c1ccccc1-c1ncc[nH]1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000011753993 556348836 /nfs/dbraw/zinc/34/88/36/556348836.db2.gz VULYHADMXLXPDI-RUZDIDTESA-N 0 0 436.490 5.485 50 0 IKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1Cl ZINC000011753851 556348859 /nfs/dbraw/zinc/34/88/59/556348859.db2.gz HEEHSYGBBMQSBC-MRXNPFEDSA-N 0 0 436.021 5.559 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C(F)(F)F)c12 ZINC000013961196 556348956 /nfs/dbraw/zinc/34/89/56/556348956.db2.gz AEOBNMPRLDHQQD-UHFFFAOYSA-N 0 0 436.437 5.877 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)NC2CCCCC2)cc1 ZINC000013961574 556349415 /nfs/dbraw/zinc/34/94/15/556349415.db2.gz WMDNSHPZBWROQF-RUZDIDTESA-N 0 0 433.552 5.175 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032781525 556349658 /nfs/dbraw/zinc/34/96/58/556349658.db2.gz VDZORJAONYHYQF-GBXCKJPGSA-N 0 0 434.586 5.248 50 0 IKAARN O=c1nc(CSc2ncc(Cl)cc2Cl)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000032778768 556351854 /nfs/dbraw/zinc/35/18/54/556351854.db2.gz WDDGWHHEEBXYIL-UHFFFAOYSA-N 0 0 438.336 5.785 50 0 IKAARN Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)c1 ZINC000011783866 556352176 /nfs/dbraw/zinc/35/21/76/556352176.db2.gz GBUAHRJNLBNLLH-SZBWURDLSA-N 0 0 429.608 5.683 50 0 IKAARN CSc1ccccc1C(=O)NC[C@H]1Cc2cc(C)cc(-c3cc(C(C)=O)ccc3F)c2O1 ZINC000011784405 556352497 /nfs/dbraw/zinc/35/24/97/556352497.db2.gz KMEOHWLBZWSQCX-LJQANCHMSA-N 0 0 449.547 5.459 50 0 IKAARN Cc1cc(NC(=O)[C@@H](SCc2cc(-c3ccc(Cl)cc3)no2)c2ccccc2)no1 ZINC000032779144 556352473 /nfs/dbraw/zinc/35/24/73/556352473.db2.gz SBDZMNFFWMFRLT-NRFANRHFSA-N 0 0 439.924 5.905 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000014008832 556353752 /nfs/dbraw/zinc/35/37/52/556353752.db2.gz AWXURDJGBYWFFF-GDLZYMKVSA-N 0 0 444.534 6.805 50 0 IKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1sc2ccccc2c1Cl ZINC000014008930 556353870 /nfs/dbraw/zinc/35/38/70/556353870.db2.gz ZCDRZUHIXJOUIB-UHFFFAOYSA-N 0 0 436.345 5.891 50 0 IKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3OCc3c(C)noc3C)sc2C)cc1 ZINC000014014239 556355082 /nfs/dbraw/zinc/35/50/82/556355082.db2.gz FRZFVTOPDVCCIO-UHFFFAOYSA-N 0 0 449.532 5.563 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000032795274 556357419 /nfs/dbraw/zinc/35/74/19/556357419.db2.gz YPJARGZGFNKMNV-CQSZACIVSA-N 0 0 434.521 5.075 50 0 IKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1 ZINC000014025123 556357482 /nfs/dbraw/zinc/35/74/82/556357482.db2.gz PSZOLLPDBYLFHG-PSWAGMNNSA-N 0 0 432.520 5.279 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000011814002 556357655 /nfs/dbraw/zinc/35/76/55/556357655.db2.gz YCCRQWFANBRKRQ-UHFFFAOYSA-N 0 0 428.960 5.377 50 0 IKAARN CCCn1c(SCc2ccc(Br)cc2)nnc1-c1csc2c1CCCC2 ZINC000014053359 556358556 /nfs/dbraw/zinc/35/85/56/556358556.db2.gz KLVNONOIYSRUSH-UHFFFAOYSA-N 0 0 448.455 6.350 50 0 IKAARN CCCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc2c1CCCC2 ZINC000014053349 556358562 /nfs/dbraw/zinc/35/85/62/556358562.db2.gz STXFUMHGWSZNBE-UHFFFAOYSA-N 0 0 437.556 6.607 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1csc2ccccc12 ZINC000014057790 556358830 /nfs/dbraw/zinc/35/88/30/556358830.db2.gz LHYQENONDRNWQX-UHFFFAOYSA-N 0 0 449.388 5.734 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505631 556358984 /nfs/dbraw/zinc/35/89/84/556358984.db2.gz HAYDOJZFPBILFU-UHFFFAOYSA-N 0 0 425.528 5.235 50 0 IKAARN O=C(OCCCc1nc(-c2cccnc2)no1)c1ccccc1-c1nc2ccccc2s1 ZINC000014066817 556359278 /nfs/dbraw/zinc/35/92/78/556359278.db2.gz CIPPTPOWEUQAMZ-UHFFFAOYSA-N 0 0 442.500 5.198 50 0 IKAARN Cc1ccc(-c2noc(CCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)n2)cc1 ZINC000014067714 556359605 /nfs/dbraw/zinc/35/96/05/556359605.db2.gz WWEGRMRVKBMVDP-JOCHJYFZSA-N 0 0 435.574 5.275 50 0 IKAARN Cc1ccc(-c2noc(CCC(=O)N3CCc4sccc4[C@H]3c3cccs3)n2)cc1 ZINC000014067717 556359725 /nfs/dbraw/zinc/35/97/25/556359725.db2.gz WWEGRMRVKBMVDP-QFIPXVFZSA-N 0 0 435.574 5.275 50 0 IKAARN Cc1ccccc1OCc1nc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n[nH]1 ZINC000014067979 556359726 /nfs/dbraw/zinc/35/97/26/556359726.db2.gz IAXIZQITPQRHJX-JOCHJYFZSA-N 0 0 448.523 5.303 50 0 IKAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1C ZINC000014069434 556360368 /nfs/dbraw/zinc/36/03/68/556360368.db2.gz QVDURZQEYCDECN-IBGZPJMESA-N 0 0 442.588 5.427 50 0 IKAARN O=C(c1csc(-c2cccs2)n1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000011818046 556360466 /nfs/dbraw/zinc/36/04/66/556360466.db2.gz WMIQMXCFIPMFRB-QFIPXVFZSA-N 0 0 442.569 5.536 50 0 IKAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000011819236 556361019 /nfs/dbraw/zinc/36/10/19/556361019.db2.gz YNPGVZQALKQNKM-RUZDIDTESA-N 0 0 436.490 5.485 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1N1CCCC1 ZINC000014071092 556361181 /nfs/dbraw/zinc/36/11/81/556361181.db2.gz INQDTUWPTMBWGF-MHZLTWQESA-N 0 0 443.591 5.416 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)c(C)c1C ZINC000011819533 556361551 /nfs/dbraw/zinc/36/15/51/556361551.db2.gz PDQRXXITASTVHI-JOCHJYFZSA-N 0 0 434.515 5.628 50 0 IKAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014083379 556363246 /nfs/dbraw/zinc/36/32/46/556363246.db2.gz FHRYOEYUFJMSFU-UHFFFAOYSA-N 0 0 437.952 5.168 50 0 IKAARN O=C(CCc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1c(F)cccc1Cl ZINC000011821963 556363222 /nfs/dbraw/zinc/36/32/22/556363222.db2.gz ZFICPOAHLCOIGN-VWLOTQADSA-N 0 0 433.914 5.462 50 0 IKAARN O=C(CCc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@H]1c1c(F)cccc1Cl ZINC000011821964 556363247 /nfs/dbraw/zinc/36/32/47/556363247.db2.gz ZFICPOAHLCOIGN-RUZDIDTESA-N 0 0 433.914 5.462 50 0 IKAARN O=C(c1ccccc1SC[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014083854 556363448 /nfs/dbraw/zinc/36/34/48/556363448.db2.gz LQLMNKYLIPREDC-QZTJIDSGSA-N 0 0 438.618 5.587 50 0 IKAARN COc1cc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)c2)cc(OC)c1OC ZINC000014084000 556363587 /nfs/dbraw/zinc/36/35/87/556363587.db2.gz PQRLERMHEOECGD-UHFFFAOYSA-N 0 0 425.528 6.725 50 0 IKAARN C[C@H]1CCCCN1C(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000011839077 556363696 /nfs/dbraw/zinc/36/36/96/556363696.db2.gz IIFAFEYMGAGECG-SFHVURJKSA-N 0 0 430.552 5.418 50 0 IKAARN O=C(Nc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)c1)c1ccccc1Cl ZINC000014095083 556366929 /nfs/dbraw/zinc/36/69/29/556366929.db2.gz MZJFULZGEKHLFE-XMMPIXPASA-N 0 0 445.950 6.101 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C ZINC000014095564 556367555 /nfs/dbraw/zinc/36/75/55/556367555.db2.gz XBWWWVTUVBHYLU-HSZRJFAPSA-N 0 0 439.559 5.248 50 0 IKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2ccccc2CC)CC1 ZINC000011878352 556370906 /nfs/dbraw/zinc/37/09/06/556370906.db2.gz CTURHHTXRGJEMH-UHFFFAOYSA-N 0 0 428.960 5.322 50 0 IKAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000011878895 556371316 /nfs/dbraw/zinc/37/13/16/556371316.db2.gz LYIHLGUREXMNKY-NRFANRHFSA-N 0 0 437.499 5.157 50 0 IKAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000011878894 556371361 /nfs/dbraw/zinc/37/13/61/556371361.db2.gz LYIHLGUREXMNKY-OAQYLSRUSA-N 0 0 437.499 5.157 50 0 IKAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014123008 556372511 /nfs/dbraw/zinc/37/25/11/556372511.db2.gz YTICIUWCLDBDSZ-UHFFFAOYSA-N 0 0 448.566 6.026 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000014123650 556372565 /nfs/dbraw/zinc/37/25/65/556372565.db2.gz ZBDIALSRJLAXIC-AREMUKBSSA-N 0 0 442.538 5.157 50 0 IKAARN CCc1c(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)cc(C)n1Cc1cccs1 ZINC000011882321 556373631 /nfs/dbraw/zinc/37/36/31/556373631.db2.gz DSWOYJYQVNEKDM-UHFFFAOYSA-N 0 0 442.584 5.348 50 0 IKAARN c1coc(-c2nnc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)o2)c1 ZINC000014129615 556374467 /nfs/dbraw/zinc/37/44/67/556374467.db2.gz KFVLMGHUHPKDLD-UHFFFAOYSA-N 0 0 427.555 5.371 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC[C@H]3c3cccn3C)nc21 ZINC000014129520 556374601 /nfs/dbraw/zinc/37/46/01/556374601.db2.gz GWSWFZFLHGCHMV-QFIPXVFZSA-N 0 0 444.604 5.314 50 0 IKAARN COc1cccc(OC)c1CNc1nc(C)c(-c2ccn(Cc3ccccc3F)n2)s1 ZINC000011909632 556374712 /nfs/dbraw/zinc/37/47/12/556374712.db2.gz FWELPMBQCUBNEL-UHFFFAOYSA-N 0 0 438.528 5.132 50 0 IKAARN Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(Cc2ccccc2F)n1 ZINC000011911975 556375258 /nfs/dbraw/zinc/37/52/58/556375258.db2.gz ZYWFRFKYTQLNAQ-UHFFFAOYSA-N 0 0 444.539 5.505 50 0 IKAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccc(Br)cc1 ZINC000014137220 556375510 /nfs/dbraw/zinc/37/55/10/556375510.db2.gz CQAFXUIJKUYKNN-UHFFFAOYSA-N 0 0 431.277 5.112 50 0 IKAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)[C@@H]1CCOC(C)(C)C1)C2 ZINC000011913296 556375975 /nfs/dbraw/zinc/37/59/75/556375975.db2.gz UIELHFRKHGVJDI-GGAORHGYSA-N 0 0 444.575 5.144 50 0 IKAARN COc1cc(CN2CC[C@H](c3cccc(F)c3)Sc3ccccc32)cc(OC)c1O ZINC000011913608 556376233 /nfs/dbraw/zinc/37/62/33/556376233.db2.gz WNUXVIJVRVQAAJ-JOCHJYFZSA-N 0 0 425.525 5.792 50 0 IKAARN O=C(c1ccco1)N1CCC(Nc2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000014140922 556376494 /nfs/dbraw/zinc/37/64/94/556376494.db2.gz CDAANVZHIVJCIW-UHFFFAOYSA-N 0 0 438.940 5.321 50 0 IKAARN Cc1nc2cc(OCc3cc(C(=O)N(C)[C@@H]4CCCc5ccccc54)no3)ccc2s1 ZINC000011932762 556376502 /nfs/dbraw/zinc/37/65/02/556376502.db2.gz UMRFRHZXTODTJD-JOCHJYFZSA-N 0 0 433.533 5.321 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 ZINC000014141806 556376754 /nfs/dbraw/zinc/37/67/54/556376754.db2.gz OVTOJRREPPKLAM-KRWDZBQOSA-N 0 0 449.601 5.905 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000011936090 556378339 /nfs/dbraw/zinc/37/83/39/556378339.db2.gz FYVXKDSGQKXIHA-UHFFFAOYSA-N 0 0 446.501 5.359 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc3n2CCCCC3)cs1)c1cccc(C)c1C ZINC000014164990 556379370 /nfs/dbraw/zinc/37/93/70/556379370.db2.gz LBHUZUYZBWTKBZ-UHFFFAOYSA-N 0 0 427.599 5.055 50 0 IKAARN COc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1F ZINC000011937637 556379527 /nfs/dbraw/zinc/37/95/27/556379527.db2.gz UPURLDBLQUIESX-QHCPKHFHSA-N 0 0 435.499 5.015 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2C)cc1 ZINC000014166216 556379766 /nfs/dbraw/zinc/37/97/66/556379766.db2.gz WBNYQJDVRHBVBB-UHFFFAOYSA-N 0 0 436.577 5.261 50 0 IKAARN COCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)s1 ZINC000011946590 556379961 /nfs/dbraw/zinc/37/99/61/556379961.db2.gz UVICWNQYTBKHAB-DEOSSOPVSA-N 0 0 432.545 5.172 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1OC ZINC000011956522 556381127 /nfs/dbraw/zinc/38/11/27/556381127.db2.gz NIPXGIHWINQGIU-JOCHJYFZSA-N 0 0 444.531 5.498 50 0 IKAARN COc1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1OC ZINC000011956526 556381150 /nfs/dbraw/zinc/38/11/50/556381150.db2.gz NIPXGIHWINQGIU-QFIPXVFZSA-N 0 0 444.531 5.498 50 0 IKAARN O=C(c1csc(-c2ccsc2)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014183887 556383675 /nfs/dbraw/zinc/38/36/75/556383675.db2.gz SAPSTBXKIADTAT-UHFFFAOYSA-N 0 0 445.613 5.419 50 0 IKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)Nc1ccc(Cl)cn1 ZINC000014184811 556384798 /nfs/dbraw/zinc/38/47/98/556384798.db2.gz NEEZFOATUCOYHA-WDEREUQCSA-N 0 0 434.974 5.091 50 0 IKAARN CC[C@H](c1nnc(SCC(=O)c2oc3ccccc3c2C)n1Cc1ccccc1)N(C)C ZINC000014186186 556385983 /nfs/dbraw/zinc/38/59/83/556385983.db2.gz HZADSRJTJRKODY-HXUWFJFHSA-N 0 0 448.592 5.369 50 0 IKAARN CC[C@@H](c1nnc(SCC(=O)c2oc3ccccc3c2C)n1Cc1ccccc1)N(C)C ZINC000014186188 556386147 /nfs/dbraw/zinc/38/61/47/556386147.db2.gz HZADSRJTJRKODY-FQEVSTJZSA-N 0 0 448.592 5.369 50 0 IKAARN Cc1cc2cc(C(=O)N3CCC(CCC(=O)NCc4cccc(Cl)c4)CC3)ccc2o1 ZINC000012003447 556386274 /nfs/dbraw/zinc/38/62/74/556386274.db2.gz QDXNLOQWMHITKN-UHFFFAOYSA-N 0 0 438.955 5.343 50 0 IKAARN COc1cc2c(cc1NC(=O)c1ccccc1OCc1noc(C)n1)oc1ccccc12 ZINC000014186611 556386396 /nfs/dbraw/zinc/38/63/96/556386396.db2.gz MCCSTAJUBSUKAX-UHFFFAOYSA-N 0 0 429.432 5.117 50 0 IKAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccc(Cl)c(Cl)c1 ZINC000014186403 556386450 /nfs/dbraw/zinc/38/64/50/556386450.db2.gz SVGRIIMFZCJVSF-UHFFFAOYSA-N 0 0 436.286 5.412 50 0 IKAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)CCC(=O)c4ccc(F)cc4)C3)ccc2c1 ZINC000012022557 556387075 /nfs/dbraw/zinc/38/70/75/556387075.db2.gz RPQAQTCHAWVACZ-QFIPXVFZSA-N 0 0 447.506 5.072 50 0 IKAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)n2)cc1F ZINC000014196543 556388047 /nfs/dbraw/zinc/38/80/47/556388047.db2.gz MTDMFEZDFKSKNO-UHFFFAOYSA-N 0 0 447.495 5.376 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000014196869 556388526 /nfs/dbraw/zinc/38/85/26/556388526.db2.gz DPWBVVPZOSOXPT-UHFFFAOYSA-N 0 0 442.968 6.212 50 0 IKAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)Nc4c(C)cccc4Cl)C3)ccc2c1 ZINC000012030906 556388914 /nfs/dbraw/zinc/38/89/14/556388914.db2.gz DTLPMIYMKZEHMW-HXUWFJFHSA-N 0 0 436.939 5.937 50 0 IKAARN Cc1sc2nc(-c3cccs3)nc(Sc3nnc(CN4CCCCC4)o3)c2c1C ZINC000014199181 556390351 /nfs/dbraw/zinc/39/03/51/556390351.db2.gz SXACORFZBYBLRX-UHFFFAOYSA-N 0 0 443.623 5.557 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)c(Br)c4)cc3)sc2c1 ZINC000012040156 556390735 /nfs/dbraw/zinc/39/07/35/556390735.db2.gz JWKKGFQUFBPWIL-UHFFFAOYSA-N 0 0 437.362 6.595 50 0 IKAARN Cc1cccc([C@@H]2CCCN(C(=O)CC[C@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)C2)c1 ZINC000012040735 556390823 /nfs/dbraw/zinc/39/08/23/556390823.db2.gz YGTNNDKUERAMFF-GJZUVCINSA-N 0 0 438.999 5.026 50 0 IKAARN CCn1c(-c2ccc(OC)cc2)nn(CN(C)[C@H](C)c2nc3ccccc3s2)c1=S ZINC000014201594 556392019 /nfs/dbraw/zinc/39/20/19/556392019.db2.gz HQSJXJZREZUQLT-OAHLLOKOSA-N 0 0 439.610 5.370 50 0 IKAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN(Cc2c(C)nn(C)c2C)C2CC2)c1 ZINC000012053066 556393196 /nfs/dbraw/zinc/39/31/96/556393196.db2.gz IEVOAUAQAXRHOH-UHFFFAOYSA-N 0 0 441.579 5.063 50 0 IKAARN Cn1ccnc1SCc1ccc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000032818008 556393378 /nfs/dbraw/zinc/39/33/78/556393378.db2.gz QKHGYUDQPARPAX-IBGZPJMESA-N 0 0 427.526 5.025 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1nc(-c2ccco2)no1 ZINC000032809264 556393862 /nfs/dbraw/zinc/39/38/62/556393862.db2.gz FLAKQSANEWGMGN-HNNXBMFYSA-N 0 0 427.489 5.702 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2nc(C)cs2)cc1F ZINC000012072491 556396084 /nfs/dbraw/zinc/39/60/84/556396084.db2.gz JYKIVPMGKMZHBU-UHFFFAOYSA-N 0 0 436.556 5.392 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)c(C)c1 ZINC000012074694 556397120 /nfs/dbraw/zinc/39/71/20/556397120.db2.gz LOAGLJYGZTWQDQ-INIZCTEOSA-N 0 0 432.923 5.067 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000014230732 556397292 /nfs/dbraw/zinc/39/72/92/556397292.db2.gz GZMIXRVKCPBOCF-UHFFFAOYSA-N 0 0 428.532 5.030 50 0 IKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CCSc5ccc(F)cc54)cc3)o2)cc1 ZINC000014230529 556397341 /nfs/dbraw/zinc/39/73/41/556397341.db2.gz TVSCNLHTQOQBPO-OAQYLSRUSA-N 0 0 445.519 5.818 50 0 IKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC([C@@H](O)c2cccs2)CC1 ZINC000012075368 556397615 /nfs/dbraw/zinc/39/76/15/556397615.db2.gz XOEJHKAIEOFVRU-OAQYLSRUSA-N 0 0 446.956 5.039 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000032815130 556401139 /nfs/dbraw/zinc/40/11/39/556401139.db2.gz GLLIFOOPPYVDSS-IGNZVWTISA-N 0 0 436.861 5.169 50 0 IKAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000014240707 556401215 /nfs/dbraw/zinc/40/12/15/556401215.db2.gz IZEJJJFRZBXQRS-FQEVSTJZSA-N 0 0 436.577 5.034 50 0 IKAARN Cc1ccc(OCc2nc(C(=O)Nc3nc4c(ccc5ccccc45)s3)cs2)cc1 ZINC000014241122 556401472 /nfs/dbraw/zinc/40/14/72/556401472.db2.gz JZKHNCPOAMMWBY-UHFFFAOYSA-N 0 0 431.542 6.046 50 0 IKAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3C)OC2=O)cs1)c1cccc(C)c1C ZINC000014241583 556402008 /nfs/dbraw/zinc/40/20/08/556402008.db2.gz YZHAOILKSZBZCN-NDENLUEZSA-N 0 0 431.517 5.097 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)Nc3nc4c(ccc5ccccc45)s3)cs2)c(C)c1 ZINC000014241687 556402031 /nfs/dbraw/zinc/40/20/31/556402031.db2.gz MJKPFCFXQQPYFS-UHFFFAOYSA-N 0 0 429.570 6.371 50 0 IKAARN O=C(NC[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012302490 556403326 /nfs/dbraw/zinc/40/33/26/556403326.db2.gz AEFZIMPUKWTKED-FQEVSTJZSA-N 0 0 437.543 5.117 50 0 IKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000032582857 556404998 /nfs/dbraw/zinc/40/49/98/556404998.db2.gz PKEGTXQXMYRFRP-UHFFFAOYSA-N 0 0 428.819 5.300 50 0 IKAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000032578486 556405245 /nfs/dbraw/zinc/40/52/45/556405245.db2.gz QIRYVZRGJMBBOU-UHFFFAOYSA-N 0 0 439.393 5.440 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032578546 556405272 /nfs/dbraw/zinc/40/52/72/556405272.db2.gz MJUAVURFZXCVAV-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN Cc1cc2oc(C(=O)N(C)[C@H](c3cccs3)c3c[nH]c4ccccc43)cc(=O)c2cc1C ZINC000032593463 556406917 /nfs/dbraw/zinc/40/69/17/556406917.db2.gz YWLVXHMGYWDZPS-VWLOTQADSA-N 0 0 442.540 5.814 50 0 IKAARN Cc1cc2oc(C(=O)N(C)[C@@H](c3cccs3)c3c[nH]c4ccccc43)cc(=O)c2cc1C ZINC000032593462 556406992 /nfs/dbraw/zinc/40/69/92/556406992.db2.gz YWLVXHMGYWDZPS-RUZDIDTESA-N 0 0 442.540 5.814 50 0 IKAARN CCc1ccc([C@H]2c3c([nH]nc3-c3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000032593540 556407002 /nfs/dbraw/zinc/40/70/02/556407002.db2.gz PFXBSSOGGTXTSX-MHZLTWQESA-N 0 0 437.543 5.436 50 0 IKAARN COc1ccc(Cn2nccc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1 ZINC000032593705 556407132 /nfs/dbraw/zinc/40/71/32/556407132.db2.gz VDDAUSNSLTYILE-UHFFFAOYSA-N 0 0 440.297 5.009 50 0 IKAARN CCCOc1ccc([C@@H]2c3c(-c4ccccc4)nn(C)c3C(=O)N2Cc2ccco2)cc1 ZINC000032593611 556407239 /nfs/dbraw/zinc/40/72/39/556407239.db2.gz HIYWAXIMPIINCY-XMMPIXPASA-N 0 0 427.504 5.214 50 0 IKAARN CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1 ZINC000032593818 556407530 /nfs/dbraw/zinc/40/75/30/556407530.db2.gz JEPJKBJGKGFNEO-UHFFFAOYSA-N 0 0 438.372 5.170 50 0 IKAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cc(-c4ccc(C)cc4)on3)n2)s1 ZINC000032594143 556407536 /nfs/dbraw/zinc/40/75/36/556407536.db2.gz CPULZHKELSFAHY-UHFFFAOYSA-N 0 0 442.500 5.989 50 0 IKAARN COc1cc(C(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000032593875 556407545 /nfs/dbraw/zinc/40/75/45/556407545.db2.gz YZTMJBUZQSBLSW-XMMPIXPASA-N 0 0 430.504 5.055 50 0 IKAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nc(-c2ccc(Br)s2)ns1 ZINC000032594248 556407806 /nfs/dbraw/zinc/40/78/06/556407806.db2.gz GDBDDRAOEVQMJO-UHFFFAOYSA-N 0 0 434.340 5.644 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1Cl ZINC000032609554 556408572 /nfs/dbraw/zinc/40/85/72/556408572.db2.gz GCJMBXYFFPOXDN-NRFANRHFSA-N 0 0 436.294 5.845 50 0 IKAARN O=C(NCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000004350997 556408626 /nfs/dbraw/zinc/40/86/26/556408626.db2.gz UVOICGWVASOGPR-UHFFFAOYSA-N 0 0 440.672 5.212 50 0 IKAARN CCS(=O)(=O)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000032619640 556409379 /nfs/dbraw/zinc/40/93/79/556409379.db2.gz NXQQFFZFHKENOH-UHFFFAOYSA-N 0 0 439.320 5.003 50 0 IKAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622153 556409407 /nfs/dbraw/zinc/40/94/07/556409407.db2.gz APIMFPSTLHMYFS-FQEVSTJZSA-N 0 0 430.335 5.215 50 0 IKAARN O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032622221 556409666 /nfs/dbraw/zinc/40/96/66/556409666.db2.gz WLLQCTBXHZIAFK-UHFFFAOYSA-N 0 0 443.572 5.850 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3cccc(C)c3C)n2)cc1 ZINC000032622883 556410269 /nfs/dbraw/zinc/41/02/69/556410269.db2.gz YRUMECPZHPLKLD-SFHVURJKSA-N 0 0 443.503 5.435 50 0 IKAARN COCc1c2ccccc2oc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014254432 556410402 /nfs/dbraw/zinc/41/04/02/556410402.db2.gz XVAIALLSAWQQSQ-UHFFFAOYSA-N 0 0 440.543 5.127 50 0 IKAARN O=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Br)o1 ZINC000032623596 556410685 /nfs/dbraw/zinc/41/06/85/556410685.db2.gz LEHNKKAYMAJMLQ-UHFFFAOYSA-N 0 0 444.672 5.665 50 0 IKAARN COc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032623576 556410742 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Cc1ccccc1-n1c(SCc2nc(-c3cccs3)no2)nnc1-c1cccnc1 ZINC000032671904 556414452 /nfs/dbraw/zinc/41/44/52/556414452.db2.gz MWFHCMXARGUZQZ-UHFFFAOYSA-N 0 0 432.534 5.042 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c12 ZINC000014360972 556414694 /nfs/dbraw/zinc/41/46/94/556414694.db2.gz WHAZCILUGAUQET-CALCHBBNSA-N 0 0 446.576 5.015 50 0 IKAARN Cc1cc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000014361529 556414811 /nfs/dbraw/zinc/41/48/11/556414811.db2.gz GGVAYJXTIRBIIY-UHFFFAOYSA-N 0 0 433.533 5.042 50 0 IKAARN C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1F ZINC000014419934 556415520 /nfs/dbraw/zinc/41/55/20/556415520.db2.gz NEYUZGKGZRHQBN-QGZVFWFLSA-N 0 0 432.470 6.097 50 0 IKAARN Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 ZINC000032676068 556415885 /nfs/dbraw/zinc/41/58/85/556415885.db2.gz COSPAOLIFKMDGU-UHFFFAOYSA-N 0 0 426.560 5.389 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c3ccccc3)C1)oc1ccccc12 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C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000060012713 556423489 /nfs/dbraw/zinc/42/34/89/556423489.db2.gz BLFRBYNXGVSWCQ-AWEZNQCLSA-N 0 0 448.466 5.217 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)c2oc1-c1ccccc1 ZINC000012980048 556423928 /nfs/dbraw/zinc/42/39/28/556423928.db2.gz PHZXYKRALSYELQ-INIZCTEOSA-N 0 0 446.886 5.850 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000012982787 556425460 /nfs/dbraw/zinc/42/54/60/556425460.db2.gz RQDLBBOHMYHMRC-OAQYLSRUSA-N 0 0 432.998 5.366 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000012982788 556425466 /nfs/dbraw/zinc/42/54/66/556425466.db2.gz RQDLBBOHMYHMRC-NRFANRHFSA-N 0 0 432.998 5.366 50 0 IKAARN CNC(=O)c1cccc(NC(=O)CSCc2csc(-c3ccc(C(C)C)cc3)n2)c1 ZINC000012983253 556425479 /nfs/dbraw/zinc/42/54/79/556425479.db2.gz SAXSLAJZHWMZIX-UHFFFAOYSA-N 0 0 439.606 5.165 50 0 IKAARN Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n1 ZINC000032841599 556427410 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CCCOc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccs4)n3)n2)cc1 ZINC000014634727 556430340 /nfs/dbraw/zinc/43/03/40/556430340.db2.gz PXXYRHMKEWNIDR-UHFFFAOYSA-N 0 0 441.603 5.965 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5C)no4)c(=O)c23)cc1C ZINC000012995411 556430736 /nfs/dbraw/zinc/43/07/36/556430736.db2.gz YBBJGXQRQJCLHV-UHFFFAOYSA-N 0 0 428.517 5.149 50 0 IKAARN CC[C@@H]1CN=C(N(C(=O)Cc2c(Cl)cccc2Cl)c2ccc(C(C)=O)cc2)S1 ZINC000012996050 556431066 /nfs/dbraw/zinc/43/10/66/556431066.db2.gz MKVRCZGDMJGKSM-MRXNPFEDSA-N 0 0 435.376 5.653 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3Cl)C2)c2ccccc12 ZINC000012997198 556431641 /nfs/dbraw/zinc/43/16/41/556431641.db2.gz PMOKYLKVUGRNAP-OAHLLOKOSA-N 0 0 440.902 5.132 50 0 IKAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012998103 556432143 /nfs/dbraw/zinc/43/21/43/556432143.db2.gz BNYZLSUASYOCDO-UHFFFAOYSA-N 0 0 434.348 5.136 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC ZINC000013001076 556433260 /nfs/dbraw/zinc/43/32/60/556433260.db2.gz KTNQLCRAUHEKRU-UHFFFAOYSA-N 0 0 427.298 5.089 50 0 IKAARN COc1ccc2cc([C@H](C)C(=O)NC[C@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 ZINC000032855862 556433439 /nfs/dbraw/zinc/43/34/39/556433439.db2.gz DDGLOCPYJUALBB-HOTGVXAUSA-N 0 0 437.490 5.617 50 0 IKAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccccc1SCc1ccsc1 ZINC000027821808 556433708 /nfs/dbraw/zinc/43/37/08/556433708.db2.gz PLYBGOZRIMNCJK-UHFFFAOYSA-N 0 0 447.541 5.135 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(SCc3cccnc3)cc2)C(C)C)cc1 ZINC000032857491 556433795 /nfs/dbraw/zinc/43/37/95/556433795.db2.gz RTFWZIAAXDQXCO-HSZRJFAPSA-N 0 0 433.577 5.075 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1 ZINC000011024833 556434251 /nfs/dbraw/zinc/43/42/51/556434251.db2.gz AQIODRDDEJJYBG-UHFFFAOYSA-N 0 0 433.533 5.013 50 0 IKAARN COC(=O)c1sc2ccccc2c1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000011024916 556434300 /nfs/dbraw/zinc/43/43/00/556434300.db2.gz HDZFTCYRLVODDI-UHFFFAOYSA-N 0 0 438.508 6.155 50 0 IKAARN COc1cc(C)c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1OC ZINC000014712449 556435465 /nfs/dbraw/zinc/43/54/65/556435465.db2.gz RGZXFTUOKVWGGJ-UHFFFAOYSA-N 0 0 434.517 5.698 50 0 IKAARN CC(=O)Nc1ccc(SC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000013013140 556436323 /nfs/dbraw/zinc/43/63/23/556436323.db2.gz QPXMFFUDMUPCJM-QFIPXVFZSA-N 0 0 443.515 5.182 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1CSc1nc2ccccc2o1 ZINC000013014913 556437043 /nfs/dbraw/zinc/43/70/43/556437043.db2.gz RCHBMSGTOJVDAC-UHFFFAOYSA-N 0 0 429.545 5.973 50 0 IKAARN C[C@@H]1CCN(C(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c2ccccc2S1 ZINC000013014932 556437068 /nfs/dbraw/zinc/43/70/68/556437068.db2.gz DAYKCTLPJTWPOI-CYBMUJFWSA-N 0 0 430.986 5.135 50 0 IKAARN Fc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 ZINC000013015625 556437336 /nfs/dbraw/zinc/43/73/36/556437336.db2.gz DNYHUBMKKVFGIZ-SFTDATJTSA-N 0 0 449.327 5.993 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc3c(s1)CCC3)CC2 ZINC000013018505 556439333 /nfs/dbraw/zinc/43/93/33/556439333.db2.gz WGIMIPNPTKYIFD-QFIPXVFZSA-N 0 0 425.575 5.103 50 0 IKAARN COc1ccc(-c2nsc(NC(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1OC ZINC000027989010 556439392 /nfs/dbraw/zinc/43/93/92/556439392.db2.gz GGTGOTWMJZKOQB-UHFFFAOYSA-N 0 0 429.885 5.183 50 0 IKAARN Cc1ccc2oc(C(=O)N(Cc3cccc4ccccc43)C[C@@H]3CCCO3)cc(=O)c2c1 ZINC000027990820 556439745 /nfs/dbraw/zinc/43/97/45/556439745.db2.gz ICZKFEQXACNQTD-NRFANRHFSA-N 0 0 427.500 5.076 50 0 IKAARN Cc1ccc2oc(C(=O)N(Cc3cccc4ccccc43)C[C@H]3CCCO3)cc(=O)c2c1 ZINC000027990826 556439821 /nfs/dbraw/zinc/43/98/21/556439821.db2.gz ICZKFEQXACNQTD-OAQYLSRUSA-N 0 0 427.500 5.076 50 0 IKAARN CCN(CC)[P@@]1(=Nc2cccc(C)c2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C ZINC000032690962 556439978 /nfs/dbraw/zinc/43/99/78/556439978.db2.gz NQQKOQYSALBODT-WVQAKYLLSA-N 0 0 449.583 6.878 50 0 IKAARN CCN(C(=O)COc1ccc(C)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991120 556440015 /nfs/dbraw/zinc/44/00/15/556440015.db2.gz NYFLEFZEKOXQNG-HHHXNRCGSA-N 0 0 428.532 5.502 50 0 IKAARN Cc1c(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)oc2cc(C)cc(C)c12 ZINC000027992188 556440427 /nfs/dbraw/zinc/44/04/27/556440427.db2.gz JBHXTQSJPCCGIF-UHFFFAOYSA-N 0 0 425.282 6.028 50 0 IKAARN CCN(C(=O)COc1ccccc1OC)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993063 556440437 /nfs/dbraw/zinc/44/04/37/556440437.db2.gz NOKBAHJOVQNKMK-HHHXNRCGSA-N 0 0 444.531 5.202 50 0 IKAARN CC[C@@H](C)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1 ZINC000013026971 556440547 /nfs/dbraw/zinc/44/05/47/556440547.db2.gz JVJPQPSOCZAUMC-WECAROLCSA-N 0 0 434.561 5.245 50 0 IKAARN CCN(C(=O)COc1ccc(OC)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993106 556440652 /nfs/dbraw/zinc/44/06/52/556440652.db2.gz HFNRXEJBQQCPRW-MHZLTWQESA-N 0 0 444.531 5.202 50 0 IKAARN CCN(C(=O)COc1cccc(C)c1C)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993257 556440695 /nfs/dbraw/zinc/44/06/95/556440695.db2.gz UELFDMOHMWMJAR-MUUNZHRXSA-N 0 0 426.560 6.110 50 0 IKAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000027993816 556441006 /nfs/dbraw/zinc/44/10/06/556441006.db2.gz AKNPMDMQFVTFOZ-MRXNPFEDSA-N 0 0 444.984 5.215 50 0 IKAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1C1CCCCC1 ZINC000013028426 556441336 /nfs/dbraw/zinc/44/13/36/556441336.db2.gz LNOUHZQWZGWLPN-GFCCVEGCSA-N 0 0 428.480 5.110 50 0 IKAARN CC(C)(C)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(C)(C)C)CC3)cc2)CC1 ZINC000011027078 556441834 /nfs/dbraw/zinc/44/18/34/556441834.db2.gz DUXRLKLUVGBJCL-UHFFFAOYSA-N 0 0 442.640 7.202 50 0 IKAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000013029130 556441925 /nfs/dbraw/zinc/44/19/25/556441925.db2.gz ZAYVOJQEACSXMW-UHFFFAOYSA-N 0 0 427.529 5.066 50 0 IKAARN COc1ccc(Cn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1OC ZINC000013030856 556442285 /nfs/dbraw/zinc/44/22/85/556442285.db2.gz VBDKOJYNKBIGLX-FQEVSTJZSA-N 0 0 428.576 6.452 50 0 IKAARN O=C([C@@H]1CC=CCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013031157 556442464 /nfs/dbraw/zinc/44/24/64/556442464.db2.gz GAQWBGNBQFAZQF-SJLPKXTDSA-N 0 0 447.398 5.441 50 0 IKAARN O=C([C@H]1CC=CCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013031148 556442586 /nfs/dbraw/zinc/44/25/86/556442586.db2.gz GAQWBGNBQFAZQF-WMZOPIPTSA-N 0 0 447.398 5.441 50 0 IKAARN COc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C)cc1 ZINC000028047585 556442560 /nfs/dbraw/zinc/44/25/60/556442560.db2.gz CFKAJRPPYLUGPC-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CC(C)c1ccc(N2C[C@@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 ZINC000013037026 556443183 /nfs/dbraw/zinc/44/31/83/556443183.db2.gz IMEWADXYDRYSFQ-INIZCTEOSA-N 0 0 426.314 5.143 50 0 IKAARN Clc1ccc(OCc2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 ZINC000028188012 556444607 /nfs/dbraw/zinc/44/46/07/556444607.db2.gz ZVRLPZVWHMZFRO-UHFFFAOYSA-N 0 0 435.292 5.298 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000028192543 556444987 /nfs/dbraw/zinc/44/49/87/556444987.db2.gz CXIQBCIDUJHUTG-UHFFFAOYSA-N 0 0 445.466 5.359 50 0 IKAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000013039368 556445087 /nfs/dbraw/zinc/44/50/87/556445087.db2.gz XWELIGQWCRSCLY-UHFFFAOYSA-N 0 0 437.565 5.508 50 0 IKAARN Cc1cc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)c(C)n1C[C@H]1CCCO1 ZINC000013039568 556445380 /nfs/dbraw/zinc/44/53/80/556445380.db2.gz CQWYBPBIYDJPPF-OAQYLSRUSA-N 0 0 431.561 5.813 50 0 IKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000013040228 556445808 /nfs/dbraw/zinc/44/58/08/556445808.db2.gz AOMJDOXIYZPHBN-UHFFFAOYSA-N 0 0 444.019 5.794 50 0 IKAARN COc1ccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)c3ccccc3n2)cc1 ZINC000014793487 556446164 /nfs/dbraw/zinc/44/61/64/556446164.db2.gz WSNWOVZYCQXZIN-UHFFFAOYSA-N 0 0 441.487 5.130 50 0 IKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014797813 556446315 /nfs/dbraw/zinc/44/63/15/556446315.db2.gz PBSXPUWFLILGPC-UHFFFAOYSA-N 0 0 428.241 5.818 50 0 IKAARN CN(Cc1ccccc1)[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013040475 556446337 /nfs/dbraw/zinc/44/63/37/556446337.db2.gz ARJPLBGJSZFOEU-OAQYLSRUSA-N 0 0 432.873 6.171 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2nc(CN(C)Cc3cccc(Cl)c3Cl)[nH]c(=O)c21 ZINC000013040740 556446469 /nfs/dbraw/zinc/44/64/69/556446469.db2.gz ALZWYAFVTTUBPT-LBPRGKRZSA-N 0 0 438.424 5.820 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014801978 556446919 /nfs/dbraw/zinc/44/69/19/556446919.db2.gz DGVBHPYDOBPFEK-UHFFFAOYSA-N 0 0 427.435 5.860 50 0 IKAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3noc4ccccc34)sc2c1 ZINC000028246944 556446995 /nfs/dbraw/zinc/44/69/95/556446995.db2.gz GUNBORHBNXISQN-UHFFFAOYSA-N 0 0 429.501 5.222 50 0 IKAARN O=C(/C=C/c1cccc2cccnc12)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000014812054 556447606 /nfs/dbraw/zinc/44/76/06/556447606.db2.gz IIQKRHZZUQQXOC-ZPIZUECNSA-N 0 0 441.458 5.738 50 0 IKAARN O=C(c1ccccn1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014819622 556448229 /nfs/dbraw/zinc/44/82/29/556448229.db2.gz PDBXFRYSUBQMHG-AWEZNQCLSA-N 0 0 434.348 5.338 50 0 IKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288528 556448253 /nfs/dbraw/zinc/44/82/53/556448253.db2.gz OFQXYIZQSZYIDP-MRXNPFEDSA-N 0 0 443.012 5.887 50 0 IKAARN O=C(c1cccs1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000014819598 556448298 /nfs/dbraw/zinc/44/82/98/556448298.db2.gz BGVBOCPOJDGJEL-HNNXBMFYSA-N 0 0 449.395 5.460 50 0 IKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000028288757 556448575 /nfs/dbraw/zinc/44/85/75/556448575.db2.gz AKMYAKADOLJYMX-AREMUKBSSA-N 0 0 448.950 5.765 50 0 IKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cccc(C)c2C)cc1 ZINC000028288735 556448615 /nfs/dbraw/zinc/44/86/15/556448615.db2.gz YSABQCXHJWJCEJ-MHZLTWQESA-N 0 0 428.532 5.420 50 0 IKAARN Cc1cc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)ccc1Cl ZINC000028289137 556448935 /nfs/dbraw/zinc/44/89/35/556448935.db2.gz ZLBKXQVNLRPDIM-OAHLLOKOSA-N 0 0 433.310 5.837 50 0 IKAARN COc1ccc(F)cc1C(=O)COC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000014846181 556449605 /nfs/dbraw/zinc/44/96/05/556449605.db2.gz VATXFCPKSCSRMV-HOTGVXAUSA-N 0 0 427.497 5.144 50 0 IKAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4nc5c(s4)C[C@@H](C)CC5)cc3)nc12 ZINC000014847112 556449717 /nfs/dbraw/zinc/44/97/17/556449717.db2.gz WTLBUTLIAPGEHC-HNNXBMFYSA-N 0 0 432.549 5.055 50 0 IKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Oc3cc(C)ccc3C(C)C)n2)cc1 ZINC000028290491 556449777 /nfs/dbraw/zinc/44/97/77/556449777.db2.gz KXHHTULLZCRODY-UHFFFAOYSA-N 0 0 426.969 6.382 50 0 IKAARN O=C(COc1ccc(Br)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028291099 556449862 /nfs/dbraw/zinc/44/98/62/556449862.db2.gz BSNFVOZVKNFFPS-UHFFFAOYSA-N 0 0 449.707 5.249 50 0 IKAARN Cc1c(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000028291569 556450107 /nfs/dbraw/zinc/45/01/07/556450107.db2.gz AQPZBUXHSGIMKQ-QHCPKHFHSA-N 0 0 434.580 5.285 50 0 IKAARN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCOCC1 ZINC000028291592 556450118 /nfs/dbraw/zinc/45/01/18/556450118.db2.gz KTRSKWQUQAIAFE-JOCHJYFZSA-N 0 0 440.971 5.321 50 0 IKAARN Cc1ccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Br)cc1 ZINC000028291985 556450326 /nfs/dbraw/zinc/45/03/26/556450326.db2.gz XNJDWOJXJBPMHX-UHFFFAOYSA-N 0 0 448.773 5.746 50 0 IKAARN Cc1ccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000028292393 556450331 /nfs/dbraw/zinc/45/03/31/556450331.db2.gz LXRQEDVDWLXABZ-UHFFFAOYSA-N 0 0 443.597 6.481 50 0 IKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000014856932 556450644 /nfs/dbraw/zinc/45/06/44/556450644.db2.gz FVFIKUNHDSZODC-UHFFFAOYSA-N 0 0 432.520 5.689 50 0 IKAARN CCOc1ccc(-c2nc(CSc3nncn3CCc3cccs3)cs2)cc1 ZINC000032865501 556450817 /nfs/dbraw/zinc/45/08/17/556450817.db2.gz NVHXECHSALBBSD-UHFFFAOYSA-N 0 0 428.608 5.397 50 0 IKAARN O=C(Nc1ccccc1F)c1nc(SCc2ccccc2F)ncc1Br ZINC000028293320 556451006 /nfs/dbraw/zinc/45/10/06/556451006.db2.gz KUEYNZRQXICQEX-UHFFFAOYSA-N 0 0 436.281 5.062 50 0 IKAARN Cc1cc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)c(C)n1C[C@H]1CCCO1 ZINC000013062878 556451263 /nfs/dbraw/zinc/45/12/63/556451263.db2.gz DRESJZKDWRIDIN-OAHLLOKOSA-N 0 0 437.396 5.510 50 0 IKAARN COc1ccc(-c2nc(CSc3nc4ccccc4n3C(F)F)cs2)cc1OC ZINC000032865980 556451406 /nfs/dbraw/zinc/45/14/06/556451406.db2.gz NMENUWMTCJVQCF-UHFFFAOYSA-N 0 0 433.505 5.864 50 0 IKAARN CCCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1C ZINC000013063478 556452032 /nfs/dbraw/zinc/45/20/32/556452032.db2.gz RSBQBGCFCVYRDF-UHFFFAOYSA-N 0 0 441.959 5.070 50 0 IKAARN O=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000013068345 556452289 /nfs/dbraw/zinc/45/22/89/556452289.db2.gz PSGOOCCQPZGCTQ-UHFFFAOYSA-N 0 0 444.438 5.342 50 0 IKAARN FC(F)(F)c1cccc(Nc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC000013068341 556452290 /nfs/dbraw/zinc/45/22/90/556452290.db2.gz IANAIIPVWORVMF-UHFFFAOYSA-N 0 0 426.467 6.395 50 0 IKAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000013070984 556453372 /nfs/dbraw/zinc/45/33/72/556453372.db2.gz KWHBJCUZTZERSP-UHFFFAOYSA-N 0 0 426.972 5.145 50 0 IKAARN CC(C)(C)c1ccc(-c2nn(CN3CCCCCC3)c(=S)n2Cc2ccccc2)cc1 ZINC000013071198 556453403 /nfs/dbraw/zinc/45/34/03/556453403.db2.gz XCGOAOZSZLCVBB-UHFFFAOYSA-N 0 0 434.653 6.260 50 0 IKAARN C[C@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCCCC1 ZINC000014880457 556453462 /nfs/dbraw/zinc/45/34/62/556453462.db2.gz IXYZQFCWJBHZIS-HXUWFJFHSA-N 0 0 449.620 5.394 50 0 IKAARN Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2ccccc2F)n1 ZINC000028403853 556453818 /nfs/dbraw/zinc/45/38/18/556453818.db2.gz TWLPHTAVDWIACM-UHFFFAOYSA-N 0 0 432.318 5.231 50 0 IKAARN COc1cccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Br)c1 ZINC000028404724 556453855 /nfs/dbraw/zinc/45/38/55/556453855.db2.gz XXTZCCCPHSIWRV-UHFFFAOYSA-N 0 0 444.354 5.101 50 0 IKAARN CCOc1ccc(N2C(=O)[C@@H](c3ccccc3)N(c3ccc(OCC)cc3)C2=S)cc1 ZINC000028405714 556454049 /nfs/dbraw/zinc/45/40/49/556454049.db2.gz QWDCLYMNTZSBIV-HSZRJFAPSA-N 0 0 432.545 5.363 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2NC(=O)c2ccccc2)cc1 ZINC000028405498 556454065 /nfs/dbraw/zinc/45/40/65/556454065.db2.gz ARMRTSBGPOOWSQ-UHFFFAOYSA-N 0 0 429.523 6.767 50 0 IKAARN C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000013073015 556454423 /nfs/dbraw/zinc/45/44/23/556454423.db2.gz JUEUCSFEIBNRPG-MRXNPFEDSA-N 0 0 440.590 5.146 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)OCCOc2ccc(Cl)cc2Cl)c1 ZINC000013073064 556454429 /nfs/dbraw/zinc/45/44/29/556454429.db2.gz RISMUYCQNRIMQK-UHFFFAOYSA-N 0 0 436.291 5.413 50 0 IKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000072274672 556454448 /nfs/dbraw/zinc/45/44/48/556454448.db2.gz GVBCXESYMSLXNP-UHFFFAOYSA-N 0 0 442.260 5.547 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cn2ccccc2n1 ZINC000013073973 556454669 /nfs/dbraw/zinc/45/46/69/556454669.db2.gz OIZXSRGWDKAMHV-UHFFFAOYSA-N 0 0 425.897 5.145 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1)c1cccs1 ZINC000032958459 556455088 /nfs/dbraw/zinc/45/50/88/556455088.db2.gz HHMPPFXCOCJFMB-UHFFFAOYSA-N 0 0 426.954 5.445 50 0 IKAARN CCc1cccc2c(C(=O)Cn3c4ccccc4nc3SCc3ccccc3)c[nH]c21 ZINC000013075159 556455264 /nfs/dbraw/zinc/45/52/64/556455264.db2.gz XZEGUNBENVHQKQ-UHFFFAOYSA-N 0 0 425.557 6.255 50 0 IKAARN COc1ccc(CN(Cc2cccs2)C(=O)COc2ccccc2Cl)cc1OC ZINC000013075426 556455354 /nfs/dbraw/zinc/45/53/54/556455354.db2.gz VXIOEYJTVJVDOK-UHFFFAOYSA-N 0 0 431.941 5.027 50 0 IKAARN FC(F)Sc1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1 ZINC000013076024 556455596 /nfs/dbraw/zinc/45/55/96/556455596.db2.gz YHEWQVCQHLLDOJ-UHFFFAOYSA-N 0 0 440.544 6.690 50 0 IKAARN CC(C)CN(C(=O)Cn1c2ccccc2nc1C(F)(F)F)c1nc2ccccc2s1 ZINC000013095486 556456287 /nfs/dbraw/zinc/45/62/87/556456287.db2.gz RYNSKNUORLSYFY-UHFFFAOYSA-N 0 0 432.471 5.354 50 0 IKAARN Cc1cc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)n(-c2ccccc2)n1 ZINC000013095494 556456301 /nfs/dbraw/zinc/45/63/01/556456301.db2.gz DSTCWXXELZLUOJ-UHFFFAOYSA-N 0 0 439.544 5.250 50 0 IKAARN CCOC(C(=O)Nc1ccc2c(c1)nc1n2CCCCC1)(c1ccccc1)c1ccccc1 ZINC000013095984 556456676 /nfs/dbraw/zinc/45/66/76/556456676.db2.gz NYTCJNGLHVCOCR-UHFFFAOYSA-N 0 0 439.559 5.682 50 0 IKAARN O=C(Cc1cccs1)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 ZINC000032958493 556456717 /nfs/dbraw/zinc/45/67/17/556456717.db2.gz PPLPZXVUZRDDHX-UHFFFAOYSA-N 0 0 440.981 5.374 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc2c(c1)OCCCO2 ZINC000013096008 556456936 /nfs/dbraw/zinc/45/69/36/556456936.db2.gz LAUGTUJVYPOUNG-OAQYLSRUSA-N 0 0 429.607 5.454 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)c(C)c2)cc1 ZINC000013096288 556457025 /nfs/dbraw/zinc/45/70/25/556457025.db2.gz SJASVZVCMVWRLC-GOSISDBHSA-N 0 0 434.561 5.684 50 0 IKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000013096472 556457260 /nfs/dbraw/zinc/45/72/60/556457260.db2.gz ZZALDPICEUNQCL-SANMLTNESA-N 0 0 430.548 6.043 50 0 IKAARN C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000013097342 556457906 /nfs/dbraw/zinc/45/79/06/556457906.db2.gz PWLWDECZBCNFHI-SNVBAGLBSA-N 0 0 446.450 5.558 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000013097300 556457915 /nfs/dbraw/zinc/45/79/15/556457915.db2.gz MUACFQKMCUIGJA-UHFFFAOYSA-N 0 0 442.371 6.180 50 0 IKAARN O=C(CNc1ccccc1Oc1ccccc1Cl)Nc1ccccc1C(=O)NC1CC1 ZINC000028662162 556458089 /nfs/dbraw/zinc/45/80/89/556458089.db2.gz AGEBPBBCDMTVQE-UHFFFAOYSA-N 0 0 435.911 5.075 50 0 IKAARN C[C@H](NC(=O)CCSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 ZINC000032870754 556458259 /nfs/dbraw/zinc/45/82/59/556458259.db2.gz CDZMARHFMDWKNS-SFHVURJKSA-N 0 0 448.617 5.415 50 0 IKAARN C[C@@H](NC(=O)CCSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 ZINC000032870752 556458296 /nfs/dbraw/zinc/45/82/96/556458296.db2.gz CDZMARHFMDWKNS-GOSISDBHSA-N 0 0 448.617 5.415 50 0 IKAARN O=C(Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000072277538 556458660 /nfs/dbraw/zinc/45/86/60/556458660.db2.gz NGQRYBJNYQCXHO-IBGZPJMESA-N 0 0 444.441 5.321 50 0 IKAARN COc1cc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc(OC)c1 ZINC000013097915 556458855 /nfs/dbraw/zinc/45/88/55/556458855.db2.gz HERXLAZBYVGNAD-UHFFFAOYSA-N 0 0 437.546 5.106 50 0 IKAARN CCn1c(=S)n(CN2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1Cl ZINC000013098354 556459125 /nfs/dbraw/zinc/45/91/25/556459125.db2.gz MFSZHPBSVAXFFC-KSSFIOAISA-N 0 0 425.429 6.020 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2C2CCCCC2)cc1 ZINC000013098748 556459241 /nfs/dbraw/zinc/45/92/41/556459241.db2.gz WMXMCQSCGQALDZ-UHFFFAOYSA-N 0 0 440.544 5.329 50 0 IKAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(C)cc2)c1 ZINC000013098765 556459377 /nfs/dbraw/zinc/45/93/77/556459377.db2.gz XLNRYXJDVJTMCK-UHFFFAOYSA-N 0 0 448.523 5.121 50 0 IKAARN CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)nnc1-c1cccs1 ZINC000013098836 556459390 /nfs/dbraw/zinc/45/93/90/556459390.db2.gz IFLCFIBDDYUZDC-QFIPXVFZSA-N 0 0 444.585 6.224 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000013100497 556459799 /nfs/dbraw/zinc/45/97/99/556459799.db2.gz RUPZSTCFSRLFMD-AREMUKBSSA-N 0 0 439.559 6.004 50 0 IKAARN CC(=O)c1ccccc1C(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000014948316 556459958 /nfs/dbraw/zinc/45/99/58/556459958.db2.gz RNSDNIGSVWNZGV-OAQYLSRUSA-N 0 0 429.491 5.430 50 0 IKAARN CC(=O)N(c1nc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cs1)c1cccc(Cl)c1 ZINC000011034687 556460740 /nfs/dbraw/zinc/46/07/40/556460740.db2.gz ZAEKOYIARUBABB-FQEVSTJZSA-N 0 0 438.940 5.210 50 0 IKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1ncnc2sccc21 ZINC000013108044 556461774 /nfs/dbraw/zinc/46/17/74/556461774.db2.gz YDVQFHGYQBVRDT-UHFFFAOYSA-N 0 0 429.954 5.355 50 0 IKAARN COc1ccc2cc(-c3nc(-c4ccc([S@@](C)=O)cc4)[nH]c3-c3ccncc3)ccc2c1 ZINC000028823975 556461790 /nfs/dbraw/zinc/46/17/90/556461790.db2.gz SINQIEAULQKUPD-YTTGMZPUSA-N 0 0 439.540 5.705 50 0 in-vitro IKAARN CC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c1 ZINC000014955145 556461994 /nfs/dbraw/zinc/46/19/94/556461994.db2.gz UWEFOLKNPGCCED-OAQYLSRUSA-N 0 0 426.516 5.268 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000013108403 556462295 /nfs/dbraw/zinc/46/22/95/556462295.db2.gz UKILERIWABKNQN-UHFFFAOYSA-N 0 0 440.499 5.779 50 0 IKAARN CC(C)[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1 ZINC000013109324 556462646 /nfs/dbraw/zinc/46/26/46/556462646.db2.gz UAVMQBXWMNWHHP-HXUWFJFHSA-N 0 0 428.941 5.613 50 0 IKAARN COc1ccccc1N1C[C@@H](C(=O)N(c2nc3ccccc3s2)c2ccccc2)CC1=O ZINC000013109019 556462706 /nfs/dbraw/zinc/46/27/06/556462706.db2.gz JZDVCZDQUAZXEW-KRWDZBQOSA-N 0 0 443.528 5.023 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 ZINC000013109413 556462890 /nfs/dbraw/zinc/46/28/90/556462890.db2.gz LOKIQSBYRQELKJ-BCHFMIIMSA-N 0 0 442.559 5.887 50 0 IKAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C2CCCC2)c1C ZINC000013109899 556463662 /nfs/dbraw/zinc/46/36/62/556463662.db2.gz DWQSFHCUSZOUIO-AWEZNQCLSA-N 0 0 427.492 5.633 50 0 IKAARN O=C(C1CCOCC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000014962508 556464260 /nfs/dbraw/zinc/46/42/60/556464260.db2.gz NINXYBPEMKLHSM-JOCHJYFZSA-N 0 0 428.454 5.087 50 0 IKAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 ZINC000013112238 556464603 /nfs/dbraw/zinc/46/46/03/556464603.db2.gz WUNHRWCLMORHGH-UHFFFAOYSA-N 0 0 439.993 5.762 50 0 IKAARN O=C(Cc1c(Cl)cccc1Cl)NCCSCc1ccc(Br)s1 ZINC000013112372 556464860 /nfs/dbraw/zinc/46/48/60/556464860.db2.gz GPZVSLJARSQMFR-UHFFFAOYSA-N 0 0 439.227 5.410 50 0 IKAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2c2cccs2)cc1 ZINC000013112737 556465516 /nfs/dbraw/zinc/46/55/16/556465516.db2.gz MBTLCFZQOJYVPP-QFIPXVFZSA-N 0 0 449.576 5.175 50 0 IKAARN CC[C@H](Nc1ncnc2sc(C(=O)NCc3cccc(C)n3)c(C)c21)c1cccs1 ZINC000014968331 556466040 /nfs/dbraw/zinc/46/60/40/556466040.db2.gz YPDRZLASRASTFK-INIZCTEOSA-N 0 0 437.594 5.258 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000013113115 556466120 /nfs/dbraw/zinc/46/61/20/556466120.db2.gz KROJZHJELHQQEU-GJZGRUSLSA-N 0 0 433.499 5.267 50 0 IKAARN Cc1nc(C2(NC(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CCCCC2)no1 ZINC000029058315 556466398 /nfs/dbraw/zinc/46/63/98/556466398.db2.gz LFNUASLFLGEWLD-UHFFFAOYSA-N 0 0 443.503 5.049 50 0 IKAARN c1csc([C@H]2CCCCN2Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000014970175 556466815 /nfs/dbraw/zinc/46/68/15/556466815.db2.gz DZZMWABRVAOLHO-OAQYLSRUSA-N 0 0 444.560 5.452 50 0 IKAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 ZINC000013114841 556467581 /nfs/dbraw/zinc/46/75/81/556467581.db2.gz QSOJIRFIDXTVBR-UHFFFAOYSA-N 0 0 439.610 5.486 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H]2c2nccs2)c(F)c1 ZINC000014973835 556467700 /nfs/dbraw/zinc/46/77/00/556467700.db2.gz UTPCZILJLAFYDS-JOCHJYFZSA-N 0 0 434.540 5.481 50 0 IKAARN CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccoc1C ZINC000013116898 556468953 /nfs/dbraw/zinc/46/89/53/556468953.db2.gz RCXLMSSNBKQHCA-NRFANRHFSA-N 0 0 432.549 5.647 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccccc2Oc2ccccc2)n1Cc1ccccc1 ZINC000013117042 556469128 /nfs/dbraw/zinc/46/91/28/556469128.db2.gz FBYARWFRIJDHAP-UHFFFAOYSA-N 0 0 430.533 5.158 50 0 IKAARN Cc1cc(-c2nnc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)c(C)o1 ZINC000013117234 556469477 /nfs/dbraw/zinc/46/94/77/556469477.db2.gz NTAVMUAUIYEDSP-JTQLQIEISA-N 0 0 428.539 5.475 50 0 IKAARN COC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 ZINC000013117188 556469502 /nfs/dbraw/zinc/46/95/02/556469502.db2.gz XXXXDFWPDBMACI-UHFFFAOYSA-N 0 0 446.718 5.299 50 0 IKAARN C[C@]12CC3CC(C(=O)OCc4nnc(-c5ccccc5Br)o4)(C1)C[C@@](C)(C3)C2 ZINC000013117162 556469525 /nfs/dbraw/zinc/46/95/25/556469525.db2.gz GFFKEDKYNBOMNL-BGCCBAISSA-N 0 0 445.357 5.539 50 0 IKAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000013117136 556469543 /nfs/dbraw/zinc/46/95/43/556469543.db2.gz LCTMSVCREZYLSG-UHFFFAOYSA-N 0 0 440.499 5.236 50 0 IKAARN COc1ccc([C@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccccc2)cc1 ZINC000013117518 556470128 /nfs/dbraw/zinc/47/01/28/556470128.db2.gz MKYDRZHCVKEDQX-XMMPIXPASA-N 0 0 442.540 5.528 50 0 IKAARN CC(=O)N(c1nc(CNc2cc(Cl)ccc2Oc2ccccc2)cs1)c1ccccc1 ZINC000013117816 556470728 /nfs/dbraw/zinc/47/07/28/556470728.db2.gz PUCBAYVDKZHDNR-UHFFFAOYSA-N 0 0 449.963 6.886 50 0 IKAARN CN(C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@@H]1CCCc2ccccc21 ZINC000029258962 556470894 /nfs/dbraw/zinc/47/08/94/556470894.db2.gz YUYQQPCGCDAPCI-MJGOQNOKSA-N 0 0 434.483 5.044 50 0 IKAARN C[C@H](Oc1ccc(F)cc1Br)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000013120468 556472280 /nfs/dbraw/zinc/47/22/80/556472280.db2.gz HPQBCWNXIPQJFN-NSHDSACASA-N 0 0 445.313 5.693 50 0 IKAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000013120309 556472298 /nfs/dbraw/zinc/47/22/98/556472298.db2.gz IALWMOUDZXNZPZ-NRFANRHFSA-N 0 0 430.508 5.040 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3OC(=O)/C=C/c3ccccc3)=NN2C(C)=O)cc1 ZINC000013120579 556472626 /nfs/dbraw/zinc/47/26/26/556472626.db2.gz YLIRMQHTZDSFLG-GCTXXEFPSA-N 0 0 440.499 5.012 50 0 IKAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1SCc1ccsc1 ZINC000029327773 556472724 /nfs/dbraw/zinc/47/27/24/556472724.db2.gz FDJBBUFVRVRHHJ-UHFFFAOYSA-N 0 0 448.569 6.245 50 0 IKAARN Cc1occc1-c1nnc(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)o1 ZINC000029357485 556473309 /nfs/dbraw/zinc/47/33/09/556473309.db2.gz QJSGRVYKHBCDDI-SFHVURJKSA-N 0 0 443.575 5.027 50 0 IKAARN CSc1ccccc1C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000014987428 556473400 /nfs/dbraw/zinc/47/34/00/556473400.db2.gz OKAOBFXZLBPEPM-MRXNPFEDSA-N 0 0 441.549 5.212 50 0 IKAARN Cc1nnc(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1C1CCCCC1 ZINC000013121045 556473530 /nfs/dbraw/zinc/47/35/30/556473530.db2.gz GRFXYECMODLERE-NRFANRHFSA-N 0 0 444.601 5.290 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc2OC)cc1 ZINC000013121128 556473836 /nfs/dbraw/zinc/47/38/36/556473836.db2.gz HYOKBLHLWZFJHQ-UHFFFAOYSA-N 0 0 447.466 5.131 50 0 IKAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000013121504 556474469 /nfs/dbraw/zinc/47/44/69/556474469.db2.gz KFIKBTHIIJOROU-JOCHJYFZSA-N 0 0 446.601 5.204 50 0 IKAARN O[C@H](c1ccc2c(c1)CN(Cc1cccnc1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000014991428 556474991 /nfs/dbraw/zinc/47/49/91/556474991.db2.gz GJDNROXVPRTSEQ-GDLZYMKVSA-N 0 0 436.555 5.342 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2O)n1-c1ccccc1 ZINC000013125719 556475084 /nfs/dbraw/zinc/47/50/84/556475084.db2.gz KXLBYNUMPQWLCA-UHFFFAOYSA-N 0 0 431.517 5.143 50 0 IKAARN CCn1c(S[C@@H]2C[C@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000013127011 556475435 /nfs/dbraw/zinc/47/54/35/556475435.db2.gz NNHYSSVJYGBLAH-KSFYIVLOSA-N 0 0 444.560 5.285 50 0 IKAARN O=C1c2ccccc2N[C@H](c2c(-c3ccccc3)nc3sccn32)N1CC(F)(F)F ZINC000013127230 556475771 /nfs/dbraw/zinc/47/57/71/556475771.db2.gz WACXNQGXGCDFSC-SFHVURJKSA-N 0 0 428.439 5.192 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)no1 ZINC000013127378 556476037 /nfs/dbraw/zinc/47/60/37/556476037.db2.gz HQSMPVDUIMHGBV-UHFFFAOYSA-N 0 0 448.519 6.137 50 0 IKAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000013127682 556476364 /nfs/dbraw/zinc/47/63/64/556476364.db2.gz XIBHUKMMNDQESO-XMMPIXPASA-N 0 0 432.568 5.054 50 0 IKAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c1 ZINC000013128142 556477057 /nfs/dbraw/zinc/47/70/57/556477057.db2.gz WUSKQRVBLGGRQD-FQEVSTJZSA-N 0 0 447.560 5.006 50 0 IKAARN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000072285473 556477152 /nfs/dbraw/zinc/47/71/52/556477152.db2.gz UCUDLEVPXNFKND-JWQCQUIFSA-N 0 0 431.580 5.077 50 0 IKAARN COc1ccccc1-c1noc(CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)n1 ZINC000013128569 556477774 /nfs/dbraw/zinc/47/77/74/556477774.db2.gz VQGXVGDECSHPGY-LBPRGKRZSA-N 0 0 440.550 5.274 50 0 IKAARN COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)[C@H]2CCCO2)C2CC2)c1 ZINC000014996742 556478328 /nfs/dbraw/zinc/47/83/28/556478328.db2.gz RBBLZHQMGWTAKM-XMMPIXPASA-N 0 0 448.588 5.302 50 0 IKAARN Fc1cc(Cn2c3ccccc3nc2-c2cscn2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000013129080 556478902 /nfs/dbraw/zinc/47/89/02/556478902.db2.gz LBRFOELLLLIBJA-RUZDIDTESA-N 0 0 443.503 5.955 50 0 IKAARN O=S(=O)(NC[C@@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)s1 ZINC000013129423 556479142 /nfs/dbraw/zinc/47/91/42/556479142.db2.gz ILMADWZAFQRUFL-MRXNPFEDSA-N 0 0 427.378 5.187 50 0 IKAARN O=S(=O)(Nc1ccccc1Cl)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12 ZINC000013129354 556479176 /nfs/dbraw/zinc/47/91/76/556479176.db2.gz XCBZYESYBPEBRC-UHFFFAOYSA-N 0 0 443.915 5.885 50 0 IKAARN Cc1nc(SCC(=O)Nc2ccc(C)cc2)sc1Cc1ccc(Cl)cc1Cl ZINC000013129836 556479471 /nfs/dbraw/zinc/47/94/71/556479471.db2.gz ZTDLMJGZOOTONO-UHFFFAOYSA-N 0 0 437.417 6.388 50 0 IKAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000013129884 556479493 /nfs/dbraw/zinc/47/94/93/556479493.db2.gz ZZFSOXCRVTZAQR-CYBMUJFWSA-N 0 0 443.330 5.604 50 0 IKAARN CCOc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1 ZINC000013130182 556479557 /nfs/dbraw/zinc/47/95/57/556479557.db2.gz ZOVRUBFVTKQNIL-UHFFFAOYSA-N 0 0 430.577 5.667 50 0 IKAARN Cc1c(C(=O)N(C)[C@@H](C)c2nccs2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000015002560 556480372 /nfs/dbraw/zinc/48/03/72/556480372.db2.gz AQMMZZNRYNZVNM-HNNXBMFYSA-N 0 0 441.626 5.592 50 0 IKAARN COc1cccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000013131700 556480710 /nfs/dbraw/zinc/48/07/10/556480710.db2.gz FVCPHQQRDWBMOZ-UHFFFAOYSA-N 0 0 429.545 5.056 50 0 IKAARN Cc1ccc(-n2c(S[C@H](C)c3nc(-c4ccco4)no3)nnc2-c2ccccc2F)cc1 ZINC000029738467 556480872 /nfs/dbraw/zinc/48/08/72/556480872.db2.gz FPTZJHRWTBQRTH-OAHLLOKOSA-N 0 0 447.495 5.878 50 0 IKAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1nc(-c2ccco2)no1 ZINC000029740062 556481202 /nfs/dbraw/zinc/48/12/02/556481202.db2.gz OPOOLXCAYXAOLE-CYBMUJFWSA-N 0 0 442.932 5.017 50 0 IKAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)c2C1 ZINC000013133769 556481344 /nfs/dbraw/zinc/48/13/44/556481344.db2.gz CYQBCFMVSTUGBR-CYBMUJFWSA-N 0 0 443.330 5.462 50 0 IKAARN COc1cc(Cl)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1OC ZINC000011058183 556481582 /nfs/dbraw/zinc/48/15/82/556481582.db2.gz ZYMPMPGWAMROLF-UHFFFAOYSA-N 0 0 430.502 5.618 50 0 IKAARN C[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1F ZINC000013134186 556482030 /nfs/dbraw/zinc/48/20/30/556482030.db2.gz FEBHSTJKGGZDOB-INIZCTEOSA-N 0 0 437.458 5.797 50 0 IKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O ZINC000015009453 556482893 /nfs/dbraw/zinc/48/28/93/556482893.db2.gz SJAXOEDIJZBBCJ-UHFFFAOYSA-N 0 0 447.962 5.736 50 0 IKAARN CCCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1OC ZINC000013138077 556485035 /nfs/dbraw/zinc/48/50/35/556485035.db2.gz HJCXJIHMUHMKFT-QHCPKHFHSA-N 0 0 443.547 5.464 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000013138037 556485059 /nfs/dbraw/zinc/48/50/59/556485059.db2.gz RQPRFKUNZKSXGL-KKSFZXQISA-N 0 0 439.556 5.819 50 0 IKAARN COc1cc(Br)cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c1O ZINC000015015963 556485060 /nfs/dbraw/zinc/48/50/60/556485060.db2.gz MGEPHZLMWMQVQB-UHFFFAOYSA-N 0 0 447.332 6.306 50 0 IKAARN Brc1cc2c(cc1C(c1c[nH]c3ccccc31)c1c[nH]c3ccccc31)OCO2 ZINC000015016007 556485133 /nfs/dbraw/zinc/48/51/33/556485133.db2.gz KIJGMICQVOCTNR-UHFFFAOYSA-N 0 0 445.316 6.321 50 0 IKAARN COc1cc(OC)c(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1OC ZINC000015016671 556486223 /nfs/dbraw/zinc/48/62/23/556486223.db2.gz WSRDCZLBNPOJNX-UHFFFAOYSA-N 0 0 440.543 5.876 50 0 IKAARN Oc1cccc2ccc(/C=C/c3ccc(OCc4ccccc4)c(Br)c3)nc12 ZINC000015016701 556486236 /nfs/dbraw/zinc/48/62/36/556486236.db2.gz XLWJHKGPGNSYSG-FMIVXFBMSA-N 0 0 432.317 6.452 50 0 IKAARN COc1ccc(Br)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000015016861 556486284 /nfs/dbraw/zinc/48/62/84/556486284.db2.gz YDUWLUHIHQNHKP-WIYYLYMNSA-N 0 0 441.350 5.762 50 0 IKAARN Cc1c(C2(c3c(C)n(C)c4ccccc43)c3ccccc3N(C)C2=O)c2ccccc2n1C ZINC000015016681 556486287 /nfs/dbraw/zinc/48/62/87/556486287.db2.gz PLFSKAZIKSEKBO-UHFFFAOYSA-N 0 0 433.555 5.598 50 0 IKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(C)=O)c1ccccc1-2 ZINC000015016980 556486464 /nfs/dbraw/zinc/48/64/64/556486464.db2.gz SEYYJMFISSFYCA-FQEVSTJZSA-N 0 0 426.567 5.327 50 0 IKAARN CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cc(Br)c(OC)c(OC)c1)N2 ZINC000015017923 556486893 /nfs/dbraw/zinc/48/68/93/556486893.db2.gz DTXWZAXQHFFWQA-JHVJFLLYSA-N 0 0 432.358 5.663 50 0 IKAARN COc1cccc(C[C@H]2c3cc(Br)ccc3N(C)C2=O)c1OC1CCCC1 ZINC000015017795 556486913 /nfs/dbraw/zinc/48/69/13/556486913.db2.gz OOHJOBUXXFPCKC-SFHVURJKSA-N 0 0 430.342 5.082 50 0 IKAARN CCOc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000015018064 556487025 /nfs/dbraw/zinc/48/70/25/556487025.db2.gz OWWKAQFKQAQLCH-JHVJFLLYSA-N 0 0 432.358 5.799 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cc3ccccc3o2)cc1 ZINC000015018938 556487186 /nfs/dbraw/zinc/48/71/86/556487186.db2.gz JFKMLJSZAVXEDW-UHFFFAOYSA-N 0 0 432.549 5.094 50 0 IKAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1ccccc1F ZINC000015018883 556487222 /nfs/dbraw/zinc/48/72/22/556487222.db2.gz PZXLJWTUCYDCTL-UHFFFAOYSA-N 0 0 444.491 5.550 50 0 IKAARN Cc1ccc(-c2noc(CCCCCNC(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000013146170 556488124 /nfs/dbraw/zinc/48/81/24/556488124.db2.gz PIGXRIZYUYTPQM-UHFFFAOYSA-N 0 0 432.351 5.424 50 0 IKAARN C[C@@H](Sc1ncc(-c2ccccc2)n1Cc1ccco1)c1nc2ccccc2c(=O)[nH]1 ZINC000032876433 556488410 /nfs/dbraw/zinc/48/84/10/556488410.db2.gz ZWOOXTISLBSIRJ-MRXNPFEDSA-N 0 0 428.517 5.281 50 0 IKAARN Clc1ccc(N=C2Nc3cc4c(cc3[C@@H](c3ccc(Cl)cc3)O2)OCCO4)cc1 ZINC000015023772 556488485 /nfs/dbraw/zinc/48/84/85/556488485.db2.gz KVMCJVYNJRXRRV-OAQYLSRUSA-N 0 0 427.287 5.984 50 0 IKAARN CCCc1ccc(-c2csc(NC(=O)c3nn(CCC)c(=O)c4ccccc43)n2)cc1 ZINC000013146532 556488726 /nfs/dbraw/zinc/48/87/26/556488726.db2.gz ZHCWKABYPMHJSW-UHFFFAOYSA-N 0 0 432.549 5.135 50 0 IKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCc1nc2ccccc2c(=O)n1C ZINC000030006606 556488925 /nfs/dbraw/zinc/48/89/25/556488925.db2.gz OFKDGBFYPACHJO-UHFFFAOYSA-N 0 0 432.471 5.004 50 0 IKAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000013147740 556489055 /nfs/dbraw/zinc/48/90/55/556489055.db2.gz ISELUZBXTVBONF-UHFFFAOYSA-N 0 0 440.528 5.718 50 0 IKAARN O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(N2CCCCCC2)nc1 ZINC000030017740 556489589 /nfs/dbraw/zinc/48/95/89/556489589.db2.gz DKBJLIWYDAQICO-GJZGRUSLSA-N 0 0 437.428 5.101 50 0 IKAARN O=C(COc1ccc2c(c1)CCC2)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000013148216 556489664 /nfs/dbraw/zinc/48/96/64/556489664.db2.gz SYIBKTKNYNGSTE-MHZLTWQESA-N 0 0 425.484 5.203 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000013148319 556489668 /nfs/dbraw/zinc/48/96/68/556489668.db2.gz RSNXKSQXTDISSV-UHFFFAOYSA-N 0 0 448.588 5.018 50 0 IKAARN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC1CCCCCC1 ZINC000013148552 556490046 /nfs/dbraw/zinc/49/00/46/556490046.db2.gz OJDZHQTVXKMUIM-OAHLLOKOSA-N 0 0 441.622 5.112 50 0 IKAARN COc1ccc(Cc2noc(CN(C)Cc3ccc(Oc4ccccc4)cc3)n2)cc1OC ZINC000015063313 556491104 /nfs/dbraw/zinc/49/11/04/556491104.db2.gz JFMIGADYSYWHKO-UHFFFAOYSA-N 0 0 445.519 5.102 50 0 IKAARN Cc1ccc(Nc2nc(N)nc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000013149826 556491535 /nfs/dbraw/zinc/49/15/35/556491535.db2.gz DMAANSLKEGTOGH-UHFFFAOYSA-N 0 0 443.351 5.122 50 0 IKAARN COc1cccc2c1OCCCN(Cc1nc(-c3cccc(C(F)(F)F)c3)oc1C)C2 ZINC000015064338 556491627 /nfs/dbraw/zinc/49/16/27/556491627.db2.gz RFOPFVBDBKWCHH-UHFFFAOYSA-N 0 0 432.442 5.462 50 0 IKAARN O=C(COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1)Nc1ccc(F)cc1 ZINC000013150439 556492244 /nfs/dbraw/zinc/49/22/44/556492244.db2.gz MRDVCJGFPTUVMO-UHFFFAOYSA-N 0 0 426.513 5.110 50 0 IKAARN O=S(=O)(NC[C@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccccc1 ZINC000013150219 556492253 /nfs/dbraw/zinc/49/22/53/556492253.db2.gz JFODNCYASWUYJD-FQEVSTJZSA-N 0 0 426.588 5.108 50 0 IKAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)OCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000013150386 556492281 /nfs/dbraw/zinc/49/22/81/556492281.db2.gz AQHVYQOSLCNNCX-VWLOTQADSA-N 0 0 448.519 5.118 50 0 IKAARN CC(C)(C)c1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(F)cc1)S2 ZINC000013150364 556492351 /nfs/dbraw/zinc/49/23/51/556492351.db2.gz RFIBXOJAGMSISK-AEFFLSMTSA-N 0 0 430.936 5.010 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000013153669 556492992 /nfs/dbraw/zinc/49/29/92/556492992.db2.gz PIBOHJFCAFPWKW-SZPZYZBQSA-N 0 0 428.576 5.189 50 0 IKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2)n1 ZINC000013163263 556493254 /nfs/dbraw/zinc/49/32/54/556493254.db2.gz IQFLUJWGPSXWSS-UHFFFAOYSA-N 0 0 439.541 5.024 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)cc1C ZINC000013163080 556493352 /nfs/dbraw/zinc/49/33/52/556493352.db2.gz UJJYUKFAZIXGNT-BGYRXZFFSA-N 0 0 434.609 5.433 50 0 IKAARN Cc1sc2nc(C)nc(SCc3nnc(-c4ccccc4Br)o3)c2c1C ZINC000013163290 556493394 /nfs/dbraw/zinc/49/33/94/556493394.db2.gz SMDCSPFDVOYOMQ-UHFFFAOYSA-N 0 0 447.383 5.721 50 0 IKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1C ZINC000013163081 556493400 /nfs/dbraw/zinc/49/34/00/556493400.db2.gz MXHBKSZPZHYULX-OYRHEFFESA-N 0 0 448.636 5.357 50 0 IKAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000015067634 556493885 /nfs/dbraw/zinc/49/38/85/556493885.db2.gz LZQNEGUQUIZGCL-HSZRJFAPSA-N 0 0 436.559 5.326 50 0 IKAARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC/C=C/Cl)cc1Cl ZINC000013163649 556494427 /nfs/dbraw/zinc/49/44/27/556494427.db2.gz BUEVZTAAOGDGHZ-OEIRUCHTSA-N 0 0 425.362 5.640 50 0 IKAARN Cc1ccc(-c2nnc(SCc3nnsc3Cl)nc2-c2ccc(C)cc2)cc1 ZINC000013163637 556494463 /nfs/dbraw/zinc/49/44/63/556494463.db2.gz QWFIUDWIQBAYGT-UHFFFAOYSA-N 0 0 425.970 5.620 50 0 IKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)c(C)c1 ZINC000015069223 556494617 /nfs/dbraw/zinc/49/46/17/556494617.db2.gz LIDZDESWRSUGOB-IBGZPJMESA-N 0 0 434.536 5.329 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000015070044 556494973 /nfs/dbraw/zinc/49/49/73/556494973.db2.gz GUYOBNCZELGABQ-SANMLTNESA-N 0 0 438.637 5.209 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000013163926 556495159 /nfs/dbraw/zinc/49/51/59/556495159.db2.gz HZMKDPZQOBVFMG-AREMUKBSSA-N 0 0 442.588 5.137 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)no1 ZINC000013164477 556496446 /nfs/dbraw/zinc/49/64/46/556496446.db2.gz NRZGXPJESCTEPP-UHFFFAOYSA-N 0 0 449.507 5.532 50 0 IKAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(c2ccccn2)CC1 ZINC000015072175 556496735 /nfs/dbraw/zinc/49/67/35/556496735.db2.gz UATHFBQKHWPINM-UHFFFAOYSA-N 0 0 426.520 5.160 50 0 IKAARN Cc1cc(C)n(-c2ccc(S[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)nn2)n1 ZINC000011068992 556497271 /nfs/dbraw/zinc/49/72/71/556497271.db2.gz GPVSDRZJNUFDIL-DEOSSOPVSA-N 0 0 443.576 5.368 50 0 IKAARN Cc1ccc(C)c(OCc2nnc(S[C@@H](C)c3nc4ccccc4n3C(F)F)o2)c1 ZINC000030583287 556498588 /nfs/dbraw/zinc/49/85/88/556498588.db2.gz YGTJDBBMXTYSAU-AWEZNQCLSA-N 0 0 430.480 5.864 50 0 IKAARN Cc1ccc(C)c(OCc2nnc(S[C@H](C)c3nc4ccccc4n3C(F)F)o2)c1 ZINC000030583285 556498748 /nfs/dbraw/zinc/49/87/48/556498748.db2.gz YGTJDBBMXTYSAU-CQSZACIVSA-N 0 0 430.480 5.864 50 0 IKAARN CC(=CC(=O)OCCCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)NC1CCCCC1 ZINC000013282631 556501296 /nfs/dbraw/zinc/50/12/96/556501296.db2.gz ILZAKBZNOVDNEZ-KNTRCKAVSA-N 0 0 429.645 6.289 50 0 IKAARN O=C1c2ccccc2-c2ccc(-c3[nH]c(-c4cccc(Cl)c4)nc3-c3ccccc3)cc21 ZINC000013284596 556501798 /nfs/dbraw/zinc/50/17/98/556501798.db2.gz QABFAUPYGZSOMS-UHFFFAOYSA-N 0 0 432.910 7.276 50 0 IKAARN COc1cc([C@H]2SC(c3ccccc3)=Nc3c2c(C)nn3-c2ccc(F)cc2)ccc1O ZINC000015084896 556502311 /nfs/dbraw/zinc/50/23/11/556502311.db2.gz BSGHOHBOPYHINF-HSZRJFAPSA-N 0 0 445.519 5.949 50 0 IKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccc(OC(F)F)cc2)N1 ZINC000013305945 556502343 /nfs/dbraw/zinc/50/23/43/556502343.db2.gz GWHTZLLNCYPMNP-OAQYLSRUSA-N 0 0 449.482 5.820 50 0 IKAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1)c1cccs1 ZINC000032878821 556502557 /nfs/dbraw/zinc/50/25/57/556502557.db2.gz DGVWHGTUSAAPHJ-QGZVFWFLSA-N 0 0 427.595 5.375 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1OCc1ccc(F)cc1 ZINC000015086019 556502572 /nfs/dbraw/zinc/50/25/72/556502572.db2.gz BYMDXERTMIJVOU-IBGZPJMESA-N 0 0 437.536 5.828 50 0 IKAARN COc1cc(OC)cc(-c2nnc(S[C@H](C)c3nc4ccccc4n3C(F)F)o2)c1 ZINC000032879041 556502593 /nfs/dbraw/zinc/50/25/93/556502593.db2.gz USDDYXBZYIFPIK-LLVKDONJSA-N 0 0 432.452 5.352 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1OCc1ccc(F)cc1 ZINC000015086021 556502596 /nfs/dbraw/zinc/50/25/96/556502596.db2.gz BYMDXERTMIJVOU-LJQANCHMSA-N 0 0 437.536 5.828 50 0 IKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccc(C)cc2)cc1 ZINC000015088846 556502873 /nfs/dbraw/zinc/50/28/73/556502873.db2.gz GULHQQNIROVFJX-NRFANRHFSA-N 0 0 448.733 6.440 50 0 IKAARN Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1nnn2-c1cccc(C(F)(F)F)c1 ZINC000013364749 556503087 /nfs/dbraw/zinc/50/30/87/556503087.db2.gz BGKUCNFAQUAXAU-UHFFFAOYSA-N 0 0 438.335 5.300 50 0 IKAARN COc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013381992 556503679 /nfs/dbraw/zinc/50/36/79/556503679.db2.gz MIPNVFAJZXAGSV-NFBKMPQASA-N 0 0 435.321 5.700 50 0 IKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000015106614 556503781 /nfs/dbraw/zinc/50/37/81/556503781.db2.gz LXFJGNSIUJJBCF-CQSZACIVSA-N 0 0 436.480 5.863 50 0 IKAARN COc1cc(CCC(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC ZINC000015106016 556503875 /nfs/dbraw/zinc/50/38/75/556503875.db2.gz CWYCDSKXRNDTII-QGZVFWFLSA-N 0 0 447.531 5.292 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015106781 556504111 /nfs/dbraw/zinc/50/41/11/556504111.db2.gz JICHAFKSBBFJOC-HNNXBMFYSA-N 0 0 440.908 5.165 50 0 IKAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000015106710 556504206 /nfs/dbraw/zinc/50/42/06/556504206.db2.gz IFHXIXPUKRRMKX-KRWDZBQOSA-N 0 0 426.925 5.445 50 0 IKAARN c1ccc(Cn2c(COc3ccccc3)nnc2SCc2ccc3ccccc3n2)cc1 ZINC000015108888 556504529 /nfs/dbraw/zinc/50/45/29/556504529.db2.gz IGGFBONHNKLARI-UHFFFAOYSA-N 0 0 438.556 5.746 50 0 IKAARN CC(=O)Nc1c(C)ccc(NC(=O)C(=O)c2c3ccccc3[nH]c2-c2ccccc2)c1C ZINC000015109070 556504578 /nfs/dbraw/zinc/50/45/78/556504578.db2.gz HNDYFFZNUZDAQL-UHFFFAOYSA-N 0 0 425.488 5.232 50 0 IKAARN Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(C)cc3Br)c2c1C ZINC000015129654 556505472 /nfs/dbraw/zinc/50/54/72/556505472.db2.gz NINBRBJNAQYWDJ-UHFFFAOYSA-N 0 0 448.386 5.004 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3c(C)c(C)cc(C)c3C)C2=O)cc1 ZINC000004555232 556505566 /nfs/dbraw/zinc/50/55/66/556505566.db2.gz CXMOGRDKDBHHAC-NDEPHWFRSA-N 0 0 427.544 5.236 50 0 IKAARN O=C(c1ccc(CNc2nc(-c3cccs3)nc3ccccc32)cc1)N1CCCCC1 ZINC000015141735 556506464 /nfs/dbraw/zinc/50/64/64/556506464.db2.gz HDFIRTZJBMLFOR-UHFFFAOYSA-N 0 0 428.561 5.597 50 0 IKAARN CC(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004556353 556506618 /nfs/dbraw/zinc/50/66/18/556506618.db2.gz LIODOMVPIALZOX-LOOMMHCVSA-N 0 0 431.645 7.056 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000015162267 556507264 /nfs/dbraw/zinc/50/72/64/556507264.db2.gz KRLXZDPDHYZJAH-DEOSSOPVSA-N 0 0 447.966 7.267 50 0 IKAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000013476362 556507908 /nfs/dbraw/zinc/50/79/08/556507908.db2.gz FTLKMJLLPAMPLH-MYNGYRLFSA-N 0 0 444.328 5.154 50 0 IKAARN O=C(NCc1ccccc1OC(F)F)c1ccccc1CSc1nc2ccccc2o1 ZINC000032885717 556510094 /nfs/dbraw/zinc/51/00/94/556510094.db2.gz IOUIRPDDOAHQOM-UHFFFAOYSA-N 0 0 440.471 5.652 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Br)c3ccccc3)cc2c1 ZINC000013511757 556510536 /nfs/dbraw/zinc/51/05/36/556510536.db2.gz PHLNXNQZAINWKY-UHFFFAOYSA-N 0 0 447.332 5.446 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000013512313 556510606 /nfs/dbraw/zinc/51/06/06/556510606.db2.gz VAMUOLJAIJQGGF-YLJYHZDGSA-N 0 0 445.769 6.406 50 0 IKAARN O=C(c1ccc(Br)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013512556 556510887 /nfs/dbraw/zinc/51/08/87/556510887.db2.gz SMKNEWPCJXBHSH-OFNKIYASSA-N 0 0 433.305 5.202 50 0 IKAARN Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013513985 556511127 /nfs/dbraw/zinc/51/11/27/556511127.db2.gz FPXPCILUEYYFDG-NQIIRXRSSA-N 0 0 425.351 6.061 50 0 IKAARN COc1ccc(-c2nc3c(c(S[C@H](C)C(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000013514066 556511155 /nfs/dbraw/zinc/51/11/55/556511155.db2.gz BHIGDCMBXCVBEA-MRXNPFEDSA-N 0 0 449.576 5.123 50 0 IKAARN CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000013514110 556511189 /nfs/dbraw/zinc/51/11/89/556511189.db2.gz MZPVCQSBIFVLBR-UHFFFAOYSA-N 0 0 446.400 5.906 50 0 IKAARN Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(C)c(C)c4)n2)COC(C)(C)C3)cc1 ZINC000013513521 556511191 /nfs/dbraw/zinc/51/11/91/556511191.db2.gz AXDXZUICIDURDB-UHFFFAOYSA-N 0 0 447.604 5.651 50 0 IKAARN COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC ZINC000013518313 556511398 /nfs/dbraw/zinc/51/13/98/556511398.db2.gz QQAWGRLZPBJCSW-HXUWFJFHSA-N 0 0 425.488 5.031 50 0 IKAARN O=C(Nc1cccc(C(=O)Nc2cccc3ccccc32)c1)c1ccc(Cl)c(Cl)c1 ZINC000004427027 556512313 /nfs/dbraw/zinc/51/23/13/556512313.db2.gz KQUSKUFJJDPWJF-UHFFFAOYSA-N 0 0 435.310 6.651 50 0 IKAARN CN(Cc1ccccc1)c1ccn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)n1 ZINC000015225609 556512428 /nfs/dbraw/zinc/51/24/28/556512428.db2.gz PMKAWAMYYRJBQF-UHFFFAOYSA-N 0 0 434.499 5.191 50 0 biogenic IKAARN CCCCCCOc1ccc(C(=O)COC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1 ZINC000004427585 556512974 /nfs/dbraw/zinc/51/29/74/556512974.db2.gz SOZRVLUUHQZVMY-UHFFFAOYSA-N 0 0 446.543 6.361 50 0 biogenic IKAARN Fc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc1Br ZINC000013534038 556512989 /nfs/dbraw/zinc/51/29/89/556512989.db2.gz HQIAOJVLLSYFCU-UHFFFAOYSA-N 0 0 427.704 6.966 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000013536954 556513254 /nfs/dbraw/zinc/51/32/54/556513254.db2.gz YXHIZMKPEVXIID-LADGPHEKSA-N 0 0 449.348 6.090 50 0 IKAARN COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013552076 556515273 /nfs/dbraw/zinc/51/52/73/556515273.db2.gz UBZJEEBWQDOGGA-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(C)c4)n2)COC(C)(C)C3)cc1 ZINC000013554840 556515802 /nfs/dbraw/zinc/51/58/02/556515802.db2.gz LPSKBNAEZQWASE-UHFFFAOYSA-N 0 0 449.576 5.043 50 0 IKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccccc4F)n21)CC(C)(C)OC3 ZINC000013555480 556516104 /nfs/dbraw/zinc/51/61/04/556516104.db2.gz AEPSJJOONHROFC-UHFFFAOYSA-N 0 0 446.598 5.344 50 0 IKAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2cccc(C)c2)n1)CC(C)(C)OC3 ZINC000013555054 556516139 /nfs/dbraw/zinc/51/61/39/556516139.db2.gz GXFYMEFTOBHJSL-UHFFFAOYSA-N 0 0 445.635 5.304 50 0 IKAARN Cc1cccc(-c2nc3c(c(SCC(=O)c4ccc(Cl)cc4)n2)COC(C)(C)C3)c1 ZINC000013556964 556516846 /nfs/dbraw/zinc/51/68/46/556516846.db2.gz IIJFOGQJBJJPSX-UHFFFAOYSA-N 0 0 438.980 5.932 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032718955 556518250 /nfs/dbraw/zinc/51/82/50/556518250.db2.gz YIFZXLXLRLHSNJ-UHFFFAOYSA-N 0 0 448.548 5.140 50 0 IKAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073773 556518976 /nfs/dbraw/zinc/51/89/76/556518976.db2.gz GSHZXVHPQJBNJQ-OAHLLOKOSA-N 0 0 425.326 5.014 50 0 IKAARN O=C(NCCCOc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(Cl)c(Cl)c1 ZINC000015319002 556519859 /nfs/dbraw/zinc/51/98/59/556519859.db2.gz YVYQDJLBMMRYKB-UHFFFAOYSA-N 0 0 429.172 5.280 50 0 IKAARN O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1cccnc1 ZINC000003091957 556519998 /nfs/dbraw/zinc/51/99/98/556519998.db2.gz YZENESUZOSIEII-ZDUSSCGKSA-N 0 0 447.071 5.292 50 0 IKAARN COc1ccccc1-c1csc(N2N=C(C)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)n1 ZINC000013569122 556521299 /nfs/dbraw/zinc/52/12/99/556521299.db2.gz PVXPFHWAVBJDKA-GOSISDBHSA-N 0 0 439.537 5.172 50 0 IKAARN O=C(Nc1cnc2ccccc2c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000032894221 556521487 /nfs/dbraw/zinc/52/14/87/556521487.db2.gz SWIQTHBMKKJUBS-UHFFFAOYSA-N 0 0 434.849 5.157 50 0 IKAARN CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]12C ZINC000031291895 556521508 /nfs/dbraw/zinc/52/15/08/556521508.db2.gz MKYFGNOOEKZNPW-ZRJUGLEFSA-N 0 0 446.587 6.474 50 0 IKAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(C)c4[C@H]3c3ccc(C(C)C)cc3)c2c1 ZINC000013570312 556521826 /nfs/dbraw/zinc/52/18/26/556521826.db2.gz KIBFUKHRZRTHQG-RUZDIDTESA-N 0 0 428.536 5.119 50 0 IKAARN Cc1ccc([C@H](Nc2cccc(C(F)(F)F)c2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000003109477 556521928 /nfs/dbraw/zinc/52/19/28/556521928.db2.gz NQRQSCJVSDBJJQ-HXUWFJFHSA-N 0 0 429.419 7.168 50 0 IKAARN COc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2ccccc2OC)cc1 ZINC000013570174 556521985 /nfs/dbraw/zinc/52/19/85/556521985.db2.gz ALSOPIMPJQXBGB-OAQYLSRUSA-N 0 0 425.488 5.680 50 0 IKAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000072300834 556523524 /nfs/dbraw/zinc/52/35/24/556523524.db2.gz VAGHIVIYRWXHHQ-YMGMXPECSA-N 0 0 432.895 5.171 50 0 IKAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000015379358 556523491 /nfs/dbraw/zinc/52/34/91/556523491.db2.gz NQJPCCAEFBFOGT-FYJGNVAPSA-N 0 0 439.298 5.642 50 0 IKAARN C[C@@H]1CCCCN1C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000013574233 556524695 /nfs/dbraw/zinc/52/46/95/556524695.db2.gz CHLRAUZNHLSBRI-SNVBAGLBSA-N 0 0 428.867 5.145 50 0 IKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000015412377 556525125 /nfs/dbraw/zinc/52/51/25/556525125.db2.gz LAUIHJGMLITEMF-DXCHCPKQSA-N 0 0 444.962 5.809 50 0 IKAARN Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)c1C ZINC000015412414 556525175 /nfs/dbraw/zinc/52/51/75/556525175.db2.gz BDAIBQIQJLCCFT-AREMUKBSSA-N 0 0 446.978 6.201 50 0 IKAARN O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000013575203 556525294 /nfs/dbraw/zinc/52/52/94/556525294.db2.gz ZWRVFBCLONJHIQ-SFHVURJKSA-N 0 0 438.858 5.471 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000015412878 556525668 /nfs/dbraw/zinc/52/56/68/556525668.db2.gz CSJJXBZZVVCCJI-SANMLTNESA-N 0 0 446.978 6.201 50 0 IKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(Cl)cc1 ZINC000015413048 556525738 /nfs/dbraw/zinc/52/57/38/556525738.db2.gz ZXJHKGHPSCMZCD-NGIPLVLYSA-N 0 0 444.962 5.809 50 0 IKAARN CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cccc(C)c2C)cc1 ZINC000015413152 556526097 /nfs/dbraw/zinc/52/60/97/556526097.db2.gz IQWVQKGFSNOJDQ-RUZDIDTESA-N 0 0 430.573 5.455 50 0 IKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000015413526 556526415 /nfs/dbraw/zinc/52/64/15/556526415.db2.gz BRDPRBXNULLIIG-NDEPHWFRSA-N 0 0 440.587 6.165 50 0 IKAARN COc1ccc(C2=C/C(=C3/N=C(c4ccccc4Cl)OC3=O)c3ccccc3O2)cc1 ZINC000013576736 556526487 /nfs/dbraw/zinc/52/64/87/556526487.db2.gz DIBPCLXIWAWGJC-NMWGTECJSA-N 0 0 429.859 5.497 50 0 IKAARN CCCC1CCC(c2ccc(C(=O)COC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000004424266 556526758 /nfs/dbraw/zinc/52/67/58/556526758.db2.gz DNEZCDDGGJBXCV-UHFFFAOYSA-N 0 0 443.381 6.563 50 0 IKAARN Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000015437842 556527884 /nfs/dbraw/zinc/52/78/84/556527884.db2.gz SINQBQHPXJXCMB-UHFFFAOYSA-N 0 0 434.439 5.067 50 0 IKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3 ZINC000013591094 556529305 /nfs/dbraw/zinc/52/93/05/556529305.db2.gz NPPGSPFNOVZZNR-KBPBESRZSA-N 0 0 436.335 5.068 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900625 556529430 /nfs/dbraw/zinc/52/94/30/556529430.db2.gz XGIOPFGEDSKJLW-UHFFFAOYSA-N 0 0 425.492 5.385 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000015473439 556529834 /nfs/dbraw/zinc/52/98/34/556529834.db2.gz JETXTENPJLGLOB-UHFFFAOYSA-N 0 0 430.426 5.293 50 0 IKAARN COC(=O)c1ccc(-c2c(NCc3ccccc3)oc3c2c(=O)oc2ccccc32)cc1 ZINC000013592583 556530651 /nfs/dbraw/zinc/53/06/51/556530651.db2.gz GMPWWGBUCFOZQN-UHFFFAOYSA-N 0 0 425.440 5.605 50 0 IKAARN Cc1ccc(Sc2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)c(C)c1 ZINC000032900160 556531870 /nfs/dbraw/zinc/53/18/70/556531870.db2.gz AFKNWCAYWYCYLE-UHFFFAOYSA-N 0 0 440.590 5.103 50 0 IKAARN CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 ZINC000013609578 556534137 /nfs/dbraw/zinc/53/41/37/556534137.db2.gz CSLZLCJYCQWQSN-NHCUHLMSSA-N 0 0 442.485 5.921 50 0 IKAARN Cc1nc2cc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)ccc2o1 ZINC000015567573 556535253 /nfs/dbraw/zinc/53/52/53/556535253.db2.gz IHKQVVDEFLXFQJ-HXUWFJFHSA-N 0 0 433.895 5.290 50 0 IKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616381 556535370 /nfs/dbraw/zinc/53/53/70/556535370.db2.gz LHPLRBDMNKVZTA-QPPBQGQZSA-N 0 0 447.332 5.510 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000013616523 556535507 /nfs/dbraw/zinc/53/55/07/556535507.db2.gz QHOASVHSWVUMND-RCZVLFRGSA-N 0 0 432.907 5.410 50 0 IKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1OC ZINC000013616629 556535563 /nfs/dbraw/zinc/53/55/63/556535563.db2.gz ZLALZZBXLIGHRE-JTSKRJEESA-N 0 0 426.925 5.661 50 0 IKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013618881 556535982 /nfs/dbraw/zinc/53/59/82/556535982.db2.gz BQFSTGKNMBIHIQ-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000013623827 556536141 /nfs/dbraw/zinc/53/61/41/556536141.db2.gz FDTJKGMZEDIXOD-UHFFFAOYSA-N 0 0 442.730 6.121 50 0 IKAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 ZINC000015587311 556536189 /nfs/dbraw/zinc/53/61/89/556536189.db2.gz FJNCGLMITWZZGL-UHFFFAOYSA-N 0 0 445.997 5.258 50 0 IKAARN COc1cc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc(OC)c1OC ZINC000013625201 556536655 /nfs/dbraw/zinc/53/66/55/556536655.db2.gz UPAUUCYUPQRKIX-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN CC(C)(C)C(=O)N1CCC(C(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC000015601395 556537078 /nfs/dbraw/zinc/53/70/78/556537078.db2.gz XOWJQJZCMAPIGO-UHFFFAOYSA-N 0 0 444.369 5.306 50 0 IKAARN Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1NC(=O)c1ccco1 ZINC000011084766 556537232 /nfs/dbraw/zinc/53/72/32/556537232.db2.gz CSUOHYGYRZUNKZ-UHFFFAOYSA-N 0 0 426.900 5.083 50 0 IKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000011088104 556537732 /nfs/dbraw/zinc/53/77/32/556537732.db2.gz COYXKENZRWYIDL-QGZVFWFLSA-N 0 0 446.938 5.835 50 0 IKAARN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccco4)s3)c3ccccc3n2)cc1 ZINC000013629909 556538865 /nfs/dbraw/zinc/53/88/65/556538865.db2.gz TZYFRQXRAXVSPL-UHFFFAOYSA-N 0 0 425.473 5.337 50 0 IKAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000071926951 556541194 /nfs/dbraw/zinc/54/11/94/556541194.db2.gz SDBPPCOIIWRLQA-IBGZPJMESA-N 0 0 436.533 5.184 50 0 IKAARN C[C@@H](NC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1nc2ccccc2[nH]1 ZINC000013636901 556541205 /nfs/dbraw/zinc/54/12/05/556541205.db2.gz SVDMCDWFFOFNKY-QGZVFWFLSA-N 0 0 437.503 5.090 50 0 IKAARN O=C(Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1)C(c1ccccc1)c1ccccc1 ZINC000015659189 556541281 /nfs/dbraw/zinc/54/12/81/556541281.db2.gz IKMCAVJOHCOJNL-UHFFFAOYSA-N 0 0 442.628 6.673 50 0 IKAARN CC(=O)Nc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 ZINC000032902953 556541522 /nfs/dbraw/zinc/54/15/22/556541522.db2.gz CABHRUJHXJCXNF-UHFFFAOYSA-N 0 0 431.517 5.009 50 0 IKAARN O=C(c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)N1CCC[C@@H]1c1cccs1 ZINC000015670991 556541837 /nfs/dbraw/zinc/54/18/37/556541837.db2.gz GYDSNPADONPJLB-CQSZACIVSA-N 0 0 448.495 5.515 50 0 IKAARN COCc1nn2c(ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638340 556541891 /nfs/dbraw/zinc/54/18/91/556541891.db2.gz XXPNULXAIFBYAU-KRWDZBQOSA-N 0 0 447.922 5.117 50 0 IKAARN O=C(c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)N1CCC[C@@H]1c1ccco1 ZINC000015671023 556542163 /nfs/dbraw/zinc/54/21/63/556542163.db2.gz VBHGVZPZVURZPH-CQSZACIVSA-N 0 0 432.427 5.047 50 0 IKAARN O=C(Nc1ccc(Cl)cn1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641224 556542228 /nfs/dbraw/zinc/54/22/28/556542228.db2.gz WYARIDZGCYUBJM-UHFFFAOYSA-N 0 0 432.892 5.919 50 0 IKAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000071926952 556542692 /nfs/dbraw/zinc/54/26/92/556542692.db2.gz SDBPPCOIIWRLQA-LJQANCHMSA-N 0 0 436.533 5.184 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3nc(-c4ccccc4)no3)nn21 ZINC000013643105 556542906 /nfs/dbraw/zinc/54/29/06/556542906.db2.gz XEYMONHQBNTNEW-UHFFFAOYSA-N 0 0 441.800 5.786 50 0 IKAARN Cc1cc(Cl)ccc1Nc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1cnn2C ZINC000015682335 556543040 /nfs/dbraw/zinc/54/30/40/556543040.db2.gz IZIZFGJXJDJDGQ-UHFFFAOYSA-N 0 0 446.986 5.528 50 0 IKAARN Cn1ncc2c1nc(N1CCC(Cc3ccccc3)CC1)nc2Nc1ccc(Cl)cc1 ZINC000015682341 556543116 /nfs/dbraw/zinc/54/31/16/556543116.db2.gz JDSSXNCRDFZJFV-UHFFFAOYSA-N 0 0 432.959 5.219 50 0 IKAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cnn2c1nccc2-c1ccco1 ZINC000013644588 556543220 /nfs/dbraw/zinc/54/32/20/556543220.db2.gz VWQBNAIYRUFHLV-UHFFFAOYSA-N 0 0 445.548 5.166 50 0 IKAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1C ZINC000015686599 556543296 /nfs/dbraw/zinc/54/32/96/556543296.db2.gz SOFYOSBULSHIOJ-UHFFFAOYSA-N 0 0 429.303 5.815 50 0 IKAARN c1coc(C2=NN(c3ccccc3)[C@@H](c3cn(-c4ccccc4)nc3-c3cccnc3)C2)c1 ZINC000015685897 556543308 /nfs/dbraw/zinc/54/33/08/556543308.db2.gz SNSKPFLFCFUDOX-RUZDIDTESA-N 0 0 431.499 5.883 50 0 IKAARN FC(F)(F)c1cc(-c2ccco2)nc2cc(-c3nc(-c4ccc(Cl)cc4)no3)nn21 ZINC000013644842 556543257 /nfs/dbraw/zinc/54/32/57/556543257.db2.gz USSKIGPVWBNIDX-UHFFFAOYSA-N 0 0 431.761 5.379 50 0 IKAARN Cc1ccc(-c2noc(-c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)n2)cc1 ZINC000013644803 556543339 /nfs/dbraw/zinc/54/33/39/556543339.db2.gz QOILIATUWMTUMA-UHFFFAOYSA-N 0 0 427.411 5.502 50 0 IKAARN COc1ccc(NC(=O)c2ccc(CSc3ccc(Br)cc3)cc2)cc1 ZINC000015685935 556543360 /nfs/dbraw/zinc/54/33/60/556543360.db2.gz XCHZXTWLMBSAOD-UHFFFAOYSA-N 0 0 428.351 6.002 50 0 IKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 ZINC000013645135 556543528 /nfs/dbraw/zinc/54/35/28/556543528.db2.gz SWNCLRSAOXYYCI-UHFFFAOYSA-N 0 0 426.516 5.391 50 0 IKAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000071927130 556543939 /nfs/dbraw/zinc/54/39/39/556543939.db2.gz ARAHQTGAVSXTBN-UHFFFAOYSA-N 0 0 434.517 5.110 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000015724706 556545974 /nfs/dbraw/zinc/54/59/74/556545974.db2.gz GYTCTWPOYVUSME-AREMUKBSSA-N 0 0 425.532 6.055 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000015724688 556546005 /nfs/dbraw/zinc/54/60/05/556546005.db2.gz ZLRQPOPXRDTZEQ-VWLOTQADSA-N 0 0 429.951 6.618 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015724807 556546024 /nfs/dbraw/zinc/54/60/24/556546024.db2.gz URRZJZMBTZOQHQ-XMMPIXPASA-N 0 0 449.913 6.149 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000015724682 556546029 /nfs/dbraw/zinc/54/60/29/556546029.db2.gz JEUSHGOMCMNDMI-RUZDIDTESA-N 0 0 429.951 6.618 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)Cc3ccccc3)s2)cc1 ZINC000013655571 556546107 /nfs/dbraw/zinc/54/61/07/556546107.db2.gz VMGQQDGBYBMKHU-UHFFFAOYSA-N 0 0 443.528 5.252 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015724863 556546218 /nfs/dbraw/zinc/54/62/18/556546218.db2.gz JORSOQWWWQXSNC-SANMLTNESA-N 0 0 425.532 5.919 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000015724974 556546223 /nfs/dbraw/zinc/54/62/23/556546223.db2.gz BXWCZQCLUGYUII-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015724902 556546250 /nfs/dbraw/zinc/54/62/50/556546250.db2.gz WFZCNSIWIKCPIB-AREMUKBSSA-N 0 0 425.532 5.973 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015724821 556546277 /nfs/dbraw/zinc/54/62/77/556546277.db2.gz HAMRVQIHBJKOLI-DEOSSOPVSA-N 0 0 433.914 6.448 50 0 IKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000015724880 556546287 /nfs/dbraw/zinc/54/62/87/556546287.db2.gz NWELGSAWXZWOMB-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN CCc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000015725052 556546527 /nfs/dbraw/zinc/54/65/27/556546527.db2.gz KVRVOMATFUQJQV-RUZDIDTESA-N 0 0 447.941 6.702 50 0 IKAARN Cc1cccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1C ZINC000015725058 556546543 /nfs/dbraw/zinc/54/65/43/556546543.db2.gz KQKOBEYULWNXAY-VWLOTQADSA-N 0 0 447.941 6.757 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725146 556546556 /nfs/dbraw/zinc/54/65/56/556546556.db2.gz AFDOBDKDJNJLHE-HSZRJFAPSA-N 0 0 437.877 6.279 50 0 IKAARN O=C(Nc1ccccc1F)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725162 556546563 /nfs/dbraw/zinc/54/65/63/556546563.db2.gz DBKQHFLNANSZLF-HSZRJFAPSA-N 0 0 437.877 6.279 50 0 IKAARN COc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000015725188 556546567 /nfs/dbraw/zinc/54/65/67/556546567.db2.gz DYKSUUKAAVTNNY-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN Cc1cccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(F)cc2)c1C ZINC000015725060 556546575 /nfs/dbraw/zinc/54/65/75/556546575.db2.gz KQKOBEYULWNXAY-RUZDIDTESA-N 0 0 447.941 6.757 50 0 IKAARN COc1ccccc1NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725031 556546582 /nfs/dbraw/zinc/54/65/82/556546582.db2.gz XJOOEABCXDYZRW-DEOSSOPVSA-N 0 0 449.913 6.149 50 0 IKAARN O=C(Oc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000013659511 556546621 /nfs/dbraw/zinc/54/66/21/556546621.db2.gz NUWDULQYONLGGF-AREMUKBSSA-N 0 0 446.506 5.897 50 0 IKAARN Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000013659968 556546626 /nfs/dbraw/zinc/54/66/26/556546626.db2.gz IALCMYRUMJFLJJ-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000015725220 556546813 /nfs/dbraw/zinc/54/68/13/556546813.db2.gz USTLHFJGXVNWMU-SANMLTNESA-N 0 0 443.978 6.926 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000015725233 556546842 /nfs/dbraw/zinc/54/68/42/556546842.db2.gz FYDACHVCFWVQJK-RUZDIDTESA-N 0 0 429.951 6.618 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000015725276 556546849 /nfs/dbraw/zinc/54/68/49/556546849.db2.gz WBSUFQOBHJNBMS-RUZDIDTESA-N 0 0 429.951 6.618 50 0 IKAARN CCc1ccccc1NC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725414 556546877 /nfs/dbraw/zinc/54/68/77/556546877.db2.gz HCPDVJOXERFNKE-AREMUKBSSA-N 0 0 443.522 6.058 50 0 IKAARN Clc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000013661559 556546978 /nfs/dbraw/zinc/54/69/78/556546978.db2.gz FXDJARUSHYGKCE-YLJYHZDGSA-N 0 0 429.701 5.938 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cc(C)ccc2C)cc1 ZINC000013660460 556547037 /nfs/dbraw/zinc/54/70/37/556547037.db2.gz DCSUGPTWOHBWAY-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1)[C@H]3c1ccc(C)cc1 ZINC000015725475 556547125 /nfs/dbraw/zinc/54/71/25/556547125.db2.gz UWFWLUFAWGJVRC-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(Cl)cc1)[C@H]3c1ccc(C)cc1 ZINC000015725446 556547127 /nfs/dbraw/zinc/54/71/27/556547127.db2.gz OJHFELXDTGDHPQ-VWLOTQADSA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1C)[C@H]3c1ccc(C)cc1 ZINC000015725479 556547136 /nfs/dbraw/zinc/54/71/36/556547136.db2.gz CCJDHPOROHTSGF-SANMLTNESA-N 0 0 425.532 5.973 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)c(F)c1)[C@@H]3c1ccc(C)cc1 ZINC000015725526 556547138 /nfs/dbraw/zinc/54/71/38/556547138.db2.gz AFLCTIKJTKLHAI-AREMUKBSSA-N 0 0 443.522 6.112 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]3c1ccc(C)cc1 ZINC000015725444 556547141 /nfs/dbraw/zinc/54/71/41/556547141.db2.gz OJHFELXDTGDHPQ-RUZDIDTESA-N 0 0 445.950 6.318 50 0 IKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccc(C)cc1C)[C@@H]3c1ccc(C)cc1 ZINC000015725522 556547147 /nfs/dbraw/zinc/54/71/47/556547147.db2.gz ZOUMURYIDLGJMC-HHHXNRCGSA-N 0 0 439.559 6.281 50 0 IKAARN Cc1noc(C)c1CSCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC000032721581 556547218 /nfs/dbraw/zinc/54/72/18/556547218.db2.gz MGKTZQZOBLBWSX-UHFFFAOYSA-N 0 0 432.549 5.324 50 0 IKAARN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000072302909 556547469 /nfs/dbraw/zinc/54/74/69/556547469.db2.gz YEEZVDGHAOCNSS-XMMPIXPASA-N 0 0 438.930 5.491 50 0 IKAARN Cc1nc(COc2ccc(/C=C/C(=O)N(Cc3ccccc3)CC(F)F)cc2)cs1 ZINC000072303526 556547864 /nfs/dbraw/zinc/54/78/64/556547864.db2.gz DZBVSATZPUMOOD-FMIVXFBMSA-N 0 0 428.504 5.338 50 0 IKAARN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000015746381 556548162 /nfs/dbraw/zinc/54/81/62/556548162.db2.gz CNVJQPGUUOTEAS-UHFFFAOYSA-N 0 0 437.543 5.263 50 0 IKAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000015746115 556548184 /nfs/dbraw/zinc/54/81/84/556548184.db2.gz QRZSCZHJJMUFPU-KMKOMSMNSA-N 0 0 425.271 6.159 50 0 IKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000015746756 556548511 /nfs/dbraw/zinc/54/85/11/556548511.db2.gz KSEARLBJQSKHHB-OUKQBFOZSA-N 0 0 435.936 5.119 50 0 IKAARN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)[C@H](c2ccco2)C1 ZINC000072304656 556548962 /nfs/dbraw/zinc/54/89/62/556548962.db2.gz CWYLHHPSQUCTAH-DVECYGJZSA-N 0 0 430.548 5.285 50 0 IKAARN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)[C@@H](c2ccco2)C1 ZINC000072304659 556549273 /nfs/dbraw/zinc/54/92/73/556549273.db2.gz CWYLHHPSQUCTAH-YADARESESA-N 0 0 430.548 5.285 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc2nc(NC(=O)C(C)C)sc2c1 ZINC000032959773 556550160 /nfs/dbraw/zinc/55/01/60/556550160.db2.gz ZQDHLLDSAIERGI-UHFFFAOYSA-N 0 0 431.945 5.042 50 0 IKAARN COc1ccc(CN(C)CC(=O)Nc2ccccc2SC)cc1SC(F)(F)F ZINC000072305142 556550224 /nfs/dbraw/zinc/55/02/24/556550224.db2.gz LTEOYFRXTFUNSF-UHFFFAOYSA-N 0 0 430.517 5.100 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000032996963 556550491 /nfs/dbraw/zinc/55/04/91/556550491.db2.gz POWJWENWKGICSD-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1F)N(C(C)=O)c1ccccc1-2 ZINC000032997131 556550830 /nfs/dbraw/zinc/55/08/30/556550830.db2.gz OFVKZNNKLVUWPP-NRFANRHFSA-N 0 0 442.491 5.153 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(=O)CC)c1ccccc1-2 ZINC000032997070 556550870 /nfs/dbraw/zinc/55/08/70/556550870.db2.gz NCIDQLRMFGYNCC-HXUWFJFHSA-N 0 0 426.567 5.327 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1Cl ZINC000032997011 556550883 /nfs/dbraw/zinc/55/08/83/556550883.db2.gz ZDLIJXBBHDRHIT-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN COc1cccc(NC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778736 556550899 /nfs/dbraw/zinc/55/08/99/556550899.db2.gz UROZIWAFZZDREJ-FQEVSTJZSA-N 0 0 434.883 5.310 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997153 556550895 /nfs/dbraw/zinc/55/08/95/556550895.db2.gz CGTINUWYQKGWNF-QHCPKHFHSA-N 0 0 434.565 5.437 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)c(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997094 556550925 /nfs/dbraw/zinc/55/09/25/556550925.db2.gz LQCRHNDZCSBZQB-XMMPIXPASA-N 0 0 448.592 5.882 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997021 556550926 /nfs/dbraw/zinc/55/09/26/556550926.db2.gz YUXAXAMBETYSOF-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C(F)(F)F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997260 556551156 /nfs/dbraw/zinc/55/11/56/556551156.db2.gz RZXIKFXEFSSZDG-LJQANCHMSA-N 0 0 446.454 5.114 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(CC)cc1 ZINC000032997322 556551406 /nfs/dbraw/zinc/55/14/06/556551406.db2.gz BREZOHXGXBDNKQ-DEOSSOPVSA-N 0 0 448.592 5.683 50 0 IKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cc(C)ccc1C ZINC000032997397 556551424 /nfs/dbraw/zinc/55/14/24/556551424.db2.gz LGDLAUMFJKVXGN-QHCPKHFHSA-N 0 0 434.565 5.348 50 0 IKAARN CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cccc(F)c1 ZINC000032997332 556551446 /nfs/dbraw/zinc/55/14/46/556551446.db2.gz NWUWIFGAVNCIDD-QFIPXVFZSA-N 0 0 438.528 5.260 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997464 556551457 /nfs/dbraw/zinc/55/14/57/556551457.db2.gz PWRWELBTYAUQPQ-JOCHJYFZSA-N 0 0 438.528 5.322 50 0 IKAARN CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1 ZINC000032997515 556551691 /nfs/dbraw/zinc/55/16/91/556551691.db2.gz BYZFBDVUBZRIIB-HXUWFJFHSA-N 0 0 426.929 5.057 50 0 IKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(=O)CC)c1c(C)cc(C)cc1-2 ZINC000032997581 556551699 /nfs/dbraw/zinc/55/16/99/556551699.db2.gz UFLKSIKQPRBSRO-DEOSSOPVSA-N 0 0 448.592 5.882 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997666 556551701 /nfs/dbraw/zinc/55/17/01/556551701.db2.gz BFZQZXCKQQHEIB-OAQYLSRUSA-N 0 0 440.956 5.365 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997661 556551736 /nfs/dbraw/zinc/55/17/36/556551736.db2.gz LQNRSHWWXARCQI-NRFANRHFSA-N 0 0 440.956 5.365 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)c(C)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997681 556551747 /nfs/dbraw/zinc/55/17/47/556551747.db2.gz HJGWQSZSEOHDKL-QHCPKHFHSA-N 0 0 434.565 5.328 50 0 IKAARN CCSc1nnc2c(n1)O[C@@H](c1cc(C)ccc1C)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997675 556551750 /nfs/dbraw/zinc/55/17/50/556551750.db2.gz SLZDAMFJFPNUEB-QHCPKHFHSA-N 0 0 434.565 5.328 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997490 556551779 /nfs/dbraw/zinc/55/17/79/556551779.db2.gz BZUWGJLZOZKDOO-OAQYLSRUSA-N 0 0 438.578 5.125 50 0 IKAARN CCSc1nnc2c(n1)O[C@H](c1cc(C)ccc1C)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997676 556551792 /nfs/dbraw/zinc/55/17/92/556551792.db2.gz SLZDAMFJFPNUEB-HSZRJFAPSA-N 0 0 434.565 5.328 50 0 IKAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccccc1C ZINC000032997736 556551936 /nfs/dbraw/zinc/55/19/36/556551936.db2.gz HNEBGCPEJZKUAA-XMMPIXPASA-N 0 0 448.592 5.656 50 0 IKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCCC(C)C)nc2O[C@H]1c1cccc(C)c1 ZINC000032998044 556552268 /nfs/dbraw/zinc/55/22/68/556552268.db2.gz UFVVLLDFJMZBPT-DEOSSOPVSA-N 0 0 448.592 5.738 50 0 IKAARN CSc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)cc1 ZINC000032998208 556552294 /nfs/dbraw/zinc/55/22/94/556552294.db2.gz XSUGVRNYGGMGFF-IBGZPJMESA-N 0 0 444.969 5.080 50 0 IKAARN CCc1ccc(-n2ncc(-c3cc(C(=O)Nc4ccccc4C)c4ccccc4n3)c2C)cc1 ZINC000032998486 556552516 /nfs/dbraw/zinc/55/25/16/556552516.db2.gz XLPGQTNVACEPRS-UHFFFAOYSA-N 0 0 446.554 6.519 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2Br)cc1NC(=O)c1ccccc1C ZINC000032998351 556552530 /nfs/dbraw/zinc/55/25/30/556552530.db2.gz ZNVJLYCHJHUZEQ-UHFFFAOYSA-N 0 0 439.309 5.271 50 0 IKAARN Cc1c(-c2cc(C(=O)NCCC(C)C)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998760 556552545 /nfs/dbraw/zinc/55/25/45/556552545.db2.gz HYEKNUFPOARRBP-UHFFFAOYSA-N 0 0 426.564 5.789 50 0 IKAARN Cc1c(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998551 556552568 /nfs/dbraw/zinc/55/25/68/556552568.db2.gz HZIJPAQIKNPOHL-UHFFFAOYSA-N 0 0 442.538 5.988 50 0 IKAARN COc1cc2ccccc2cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000015799929 556552747 /nfs/dbraw/zinc/55/27/47/556552747.db2.gz FWCVARMMOOJKHP-UHFFFAOYSA-N 0 0 436.555 5.396 50 0 IKAARN CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=O)NC2=O)cc1 ZINC000015800576 556553024 /nfs/dbraw/zinc/55/30/24/556553024.db2.gz PFSLHIQZLGPIIG-KELUXRKGSA-N 0 0 431.941 5.635 50 0 IKAARN CSc1ccc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)cc1 ZINC000015829094 556554204 /nfs/dbraw/zinc/55/42/04/556554204.db2.gz SWGCUWIVCIVHEE-UHFFFAOYSA-N 0 0 429.570 6.953 50 0 IKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(Br)cc1 ZINC000033114936 556554298 /nfs/dbraw/zinc/55/42/98/556554298.db2.gz BNVYNXDTEWRJDY-LJQANCHMSA-N 0 0 434.293 5.019 50 0 IKAARN Cc1cccc(/C=C(/C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c2cccs2)c1 ZINC000032906910 556554663 /nfs/dbraw/zinc/55/46/63/556554663.db2.gz DYCMBXVGVLISJB-OQKWZONESA-N 0 0 446.620 5.168 50 0 IKAARN CN(C(=O)c1ccccc1Br)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835519 556555334 /nfs/dbraw/zinc/55/53/34/556555334.db2.gz XPGCGLUXJDMMKU-HXUWFJFHSA-N 0 0 425.351 5.854 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033115633 556555307 /nfs/dbraw/zinc/55/53/07/556555307.db2.gz VGPQESRIJIYMHN-SANMLTNESA-N 0 0 428.557 5.388 50 0 IKAARN Cc1ccc(Oc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2)cc1 ZINC000033115888 556555660 /nfs/dbraw/zinc/55/56/60/556555660.db2.gz SADBSJDZUBOBKL-HXUWFJFHSA-N 0 0 425.488 5.666 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccccc2Cl)cc1 ZINC000033115655 556555698 /nfs/dbraw/zinc/55/56/98/556555698.db2.gz CWOQFDOLZGERNV-VWLOTQADSA-N 0 0 448.975 5.733 50 0 IKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000033115645 556555720 /nfs/dbraw/zinc/55/57/20/556555720.db2.gz UASDSPSBABHGKD-MHZLTWQESA-N 0 0 442.584 5.696 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(Oc5ccccc5)cc4)no3)CC2=O)cc1C ZINC000033115882 556555758 /nfs/dbraw/zinc/55/57/58/556555758.db2.gz NTRMHEXVCJAPJD-HXUWFJFHSA-N 0 0 425.488 5.666 50 0 IKAARN O=C(C1CCCCC1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033115678 556555769 /nfs/dbraw/zinc/55/57/69/556555769.db2.gz QEMKZHDRHRCROM-RUZDIDTESA-N 0 0 430.617 6.430 50 0 IKAARN CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 ZINC000072305882 556556442 /nfs/dbraw/zinc/55/64/42/556556442.db2.gz WYTRNTVBIAMNLW-IBGZPJMESA-N 0 0 443.469 6.853 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000072306564 556557874 /nfs/dbraw/zinc/55/78/74/556557874.db2.gz XTFOQEHSGNIJNP-JOCHJYFZSA-N 0 0 447.608 5.443 50 0 IKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCCOc1ccccc1Cl ZINC000072306558 556558033 /nfs/dbraw/zinc/55/80/33/556558033.db2.gz LAAGKNJPFYNSSI-NRFANRHFSA-N 0 0 425.960 5.793 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@H]3c3ccncc3)cc12 ZINC000032907455 556559141 /nfs/dbraw/zinc/55/91/41/556559141.db2.gz DBNNBOAJWBNXNN-FQEVSTJZSA-N 0 0 436.968 5.480 50 0 IKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000015869597 556560282 /nfs/dbraw/zinc/56/02/82/556560282.db2.gz UJZYNCVFSXDEGZ-UHFFFAOYSA-N 0 0 440.609 5.091 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1Cl ZINC000015881942 556560827 /nfs/dbraw/zinc/56/08/27/556560827.db2.gz OCCIATFWSHTPDE-UHFFFAOYSA-N 0 0 429.977 5.131 50 0 IKAARN CCOc1c(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cccc1OC ZINC000033337780 556562003 /nfs/dbraw/zinc/56/20/03/556562003.db2.gz LAVFTYRRZAISLT-YVLHZVERSA-N 0 0 438.332 5.637 50 0 IKAARN CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)nc1-c1ccccc1 ZINC000072307385 556562313 /nfs/dbraw/zinc/56/23/13/556562313.db2.gz MZZQYPQJNHMXKD-NRFANRHFSA-N 0 0 438.549 5.021 50 0 IKAARN c1csc(Cc2nnc(SCc3nc4ccccc4s3)n2CCc2ccccc2)c1 ZINC000015912526 556563102 /nfs/dbraw/zinc/56/31/02/556563102.db2.gz FEVIPNYTURDSGN-UHFFFAOYSA-N 0 0 448.642 6.075 50 0 IKAARN Cc1cc(SCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc12 ZINC000015912859 556563123 /nfs/dbraw/zinc/56/31/23/556563123.db2.gz UYOBLYMINLSMFA-UHFFFAOYSA-N 0 0 436.577 5.006 50 0 IKAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Cc1ccccc1 ZINC000033375325 556563355 /nfs/dbraw/zinc/56/33/55/556563355.db2.gz YZSVSBQETKASGK-UHFFFAOYSA-N 0 0 446.591 5.031 50 0 IKAARN O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(-c2ncccn2)n1 ZINC000072307974 556563380 /nfs/dbraw/zinc/56/33/80/556563380.db2.gz ZZACNJJOVIEYPP-GFCCVEGCSA-N 0 0 433.333 5.079 50 0 IKAARN O=C(CCc1nc(-c2ccco2)no1)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072307970 556563422 /nfs/dbraw/zinc/56/34/22/556563422.db2.gz UMQCJDBBWZVGBI-OAHLLOKOSA-N 0 0 434.292 5.128 50 0 IKAARN CCc1ccccc1NC(=O)Nc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1 ZINC000033408100 556563653 /nfs/dbraw/zinc/56/36/53/556563653.db2.gz ANFUCONBIBSASX-UHFFFAOYSA-N 0 0 443.547 5.498 50 0 IKAARN CCOc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccccc3F)C2)cc1 ZINC000015930109 556565061 /nfs/dbraw/zinc/56/50/61/556565061.db2.gz ZFNGSBAMYRABBU-QHCPKHFHSA-N 0 0 439.328 6.343 50 0 IKAARN CCOc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccccc3F)C2)cc1 ZINC000015930107 556565139 /nfs/dbraw/zinc/56/51/39/556565139.db2.gz ZFNGSBAMYRABBU-HSZRJFAPSA-N 0 0 439.328 6.343 50 0 IKAARN Cc1c(-c2ccccc2)sc2ncn(Cc3noc(-c4ccccc4Cl)n3)c(=O)c12 ZINC000032908881 556566271 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ZINC000033941133 556570208 /nfs/dbraw/zinc/57/02/08/556570208.db2.gz ITHLQFLFIGTXTE-UHFFFAOYSA-N 0 0 439.584 5.717 50 0 IKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000032960590 556570492 /nfs/dbraw/zinc/57/04/92/556570492.db2.gz XKFFSPDIWZOCHM-UHFFFAOYSA-N 0 0 435.502 6.202 50 0 IKAARN COc1ccc(-c2nc(NC(=O)CCCSc3nc4ccccc4[nH]3)sc2C)cc1 ZINC000015978444 556570633 /nfs/dbraw/zinc/57/06/33/556570633.db2.gz YYYUBUYAFDUTNZ-UHFFFAOYSA-N 0 0 438.578 5.514 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3ccccc3Br)cc2)nc2ccccc21 ZINC000032960746 556570795 /nfs/dbraw/zinc/57/07/95/556570795.db2.gz JFVBBTGELHIZSH-UHFFFAOYSA-N 0 0 448.364 5.856 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000032960751 556570836 /nfs/dbraw/zinc/57/08/36/556570836.db2.gz HFSVBSUSMZAHSZ-OAQYLSRUSA-N 0 0 433.533 5.457 50 0 IKAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1ccc(OC(F)(F)F)cc1 ZINC000015982134 556570892 /nfs/dbraw/zinc/57/08/92/556570892.db2.gz WUEONIGRNMSXBW-UHFFFAOYSA-N 0 0 445.422 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/nfs/dbraw/zinc/57/14/69/556571469.db2.gz OPCHFKNCVNQVQC-GOSISDBHSA-N 0 0 429.517 5.310 50 0 IKAARN CCN(CC)c1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000032961059 556571829 /nfs/dbraw/zinc/57/18/29/556571829.db2.gz KROXYSDENVFASL-UHFFFAOYSA-N 0 0 444.560 5.647 50 0 IKAARN CCOc1ccc(C(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(OC)c2)cc1 ZINC000032961316 556572202 /nfs/dbraw/zinc/57/22/02/556572202.db2.gz QAAKGLJUMRKCBL-UHFFFAOYSA-N 0 0 447.516 5.208 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1nc(Cl)ccc1Cl)CC2 ZINC000016002346 556573067 /nfs/dbraw/zinc/57/30/67/556573067.db2.gz MIROARLMPSCCBE-QFIPXVFZSA-N 0 0 443.330 5.194 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CCc1c[nH]c3ccccc13)CC2 ZINC000016002215 556573113 /nfs/dbraw/zinc/57/31/13/556573113.db2.gz FWDYCQVWEBDGLL-MUUNZHRXSA-N 0 0 440.543 5.292 50 0 IKAARN Cc1cc(C)cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1 ZINC000000978907 556573763 /nfs/dbraw/zinc/57/37/63/556573763.db2.gz LNXPDYXJKVLHMH-RUZDIDTESA-N 0 0 441.531 5.261 50 0 IKAARN CCOc1ccc(CC(=CC(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2)cc1OC ZINC000000952396 556573827 /nfs/dbraw/zinc/57/38/27/556573827.db2.gz ZWBGSMKPOZFYIH-JLPGSUDCSA-N 0 0 443.543 5.375 50 0 IKAARN C[C@H]1Sc2ccc(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)cc2NC1=O ZINC000016014117 556574444 /nfs/dbraw/zinc/57/44/44/556574444.db2.gz MYMRQEGWITTZGS-CQSZACIVSA-N 0 0 445.569 5.572 50 0 IKAARN O=C(Nc1cccc2ccccc21)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001233722 556574799 /nfs/dbraw/zinc/57/47/99/556574799.db2.gz SNUNBNUHYOFGIT-HOTGVXAUSA-N 0 0 438.738 5.789 50 0 IKAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2s1 ZINC000016023179 556575929 /nfs/dbraw/zinc/57/59/29/556575929.db2.gz SOSUEMLNSVLPKZ-UHFFFAOYSA-N 0 0 434.542 5.247 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000016039400 556578020 /nfs/dbraw/zinc/57/80/20/556578020.db2.gz BHOCTWYDPRAXIO-KBXCAEBGSA-N 0 0 448.589 5.029 50 0 IKAARN O=C(OCCOc1c(Cl)cccc1Cl)c1cc(-c2ccco2)nc2ccccc21 ZINC000032910016 556578286 /nfs/dbraw/zinc/57/82/86/556578286.db2.gz YDFUGIZSPRTPRP-UHFFFAOYSA-N 0 0 428.271 6.037 50 0 IKAARN FC(F)(F)c1cccc(Nc2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1 ZINC000002983176 556578584 /nfs/dbraw/zinc/57/85/84/556578584.db2.gz ADUOHVMZVZGIEI-UHFFFAOYSA-N 0 0 434.219 5.316 50 0 IKAARN COc1cccc(N2CCN(Cc3cc4oc(C)c(-c5ccccc5)c4cc3OC)CC2)c1 ZINC000061853259 556579602 /nfs/dbraw/zinc/57/96/02/556579602.db2.gz LFOMQKPWYNMOOX-UHFFFAOYSA-N 0 0 442.559 5.748 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@H](C)O)cc4)cc3N2)cc1 ZINC000101193013 556580064 /nfs/dbraw/zinc/58/00/64/556580064.db2.gz GICSYISSFVMOKN-DCPHZVHLSA-N 0 0 444.457 5.157 50 0 IKAARN Clc1ccc(OCCn2cc(-c3cnn(CCOc4ccc(Cl)cc4)c3)cn2)cc1 ZINC000016046759 556580294 /nfs/dbraw/zinc/58/02/94/556580294.db2.gz LTAUFYZQERTEHE-UHFFFAOYSA-N 0 0 443.334 5.211 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022938314 556580807 /nfs/dbraw/zinc/58/08/07/556580807.db2.gz YNAYZMYUMOLCKV-AREMUKBSSA-N 0 0 439.559 5.330 50 0 IKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccncc4)cs3)c(F)c2)c1 ZINC000034713265 556581173 /nfs/dbraw/zinc/58/11/73/556581173.db2.gz ISGWHXGQAQBVKZ-UHFFFAOYSA-N 0 0 433.508 5.162 50 0 IKAARN O=C(c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1)N1CCSCC1 ZINC000034717484 556581428 /nfs/dbraw/zinc/58/14/28/556581428.db2.gz PLMUYNSMLIMHAT-UHFFFAOYSA-N 0 0 448.972 5.371 50 0 IKAARN CN(Cc1ccco1)C(=O)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1 ZINC000034717479 556581475 /nfs/dbraw/zinc/58/14/75/556581475.db2.gz NBXSQBCVVKKARC-UHFFFAOYSA-N 0 0 438.936 5.908 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1 ZINC000034713473 556581534 /nfs/dbraw/zinc/58/15/34/556581534.db2.gz HXZNIEUHUVUEOJ-QGZVFWFLSA-N 0 0 446.931 5.090 50 0 IKAARN O=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1 ZINC000034723264 556581707 /nfs/dbraw/zinc/58/17/07/556581707.db2.gz HWKVWEMWXAOVIA-UHFFFAOYSA-N 0 0 432.467 5.548 50 0 IKAARN COc1ccc(CC(=O)Nc2ccc(N3CCCN([C@H](C)c4ccccc4)C3=O)cc2)cc1 ZINC000034734164 556581725 /nfs/dbraw/zinc/58/17/25/556581725.db2.gz OILFSHDNYQXBRT-HXUWFJFHSA-N 0 0 443.547 5.270 50 0 IKAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000034745309 556581929 /nfs/dbraw/zinc/58/19/29/556581929.db2.gz YVMJNAXKVMSTOK-XZDHIHRUSA-N 0 0 436.621 6.430 50 0 IKAARN CC(C)c1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc2n1 ZINC000016106361 556583303 /nfs/dbraw/zinc/58/33/03/556583303.db2.gz LDNPVSJWAHSNNF-UHFFFAOYSA-N 0 0 425.536 5.595 50 0 IKAARN Cc1ccc(OCCOC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000032910655 556583869 /nfs/dbraw/zinc/58/38/69/556583869.db2.gz WTOARKSWTGIRNP-QHCPKHFHSA-N 0 0 437.923 5.132 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)C(c1ccccc1)c1ccccc1 ZINC000032911255 556584644 /nfs/dbraw/zinc/58/46/44/556584644.db2.gz HJRWSSJFZPAXBQ-UHFFFAOYSA-N 0 0 433.508 5.216 50 0 IKAARN O=C(Nc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1)c1ccc(Cl)cc1Cl ZINC000016157638 556586090 /nfs/dbraw/zinc/58/60/90/556586090.db2.gz BYRKADXMNWTBBC-UHFFFAOYSA-N 0 0 426.514 5.554 50 0 IKAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1-c1nc2ccccc2s1 ZINC000032964049 556586400 /nfs/dbraw/zinc/58/64/00/556586400.db2.gz HXWAGJDQRDZQME-UHFFFAOYSA-N 0 0 435.936 5.327 50 0 IKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)c3)nn12 ZINC000016162645 556586698 /nfs/dbraw/zinc/58/66/98/556586698.db2.gz QDMQIYNDNZCIMZ-UHFFFAOYSA-N 0 0 449.580 5.173 50 0 IKAARN COc1cc([C@@H]2Nc3sc(C)c(C)c3C(=O)N2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000016185156 556587490 /nfs/dbraw/zinc/58/74/90/556587490.db2.gz HCVRMDJHLVGFBT-IBGZPJMESA-N 0 0 442.924 5.100 50 0 IKAARN COc1ccccc1-n1c(/C=C/c2ccc(Br)cc2O)nc2ccccc2c1=O ZINC000016183379 556587498 /nfs/dbraw/zinc/58/74/98/556587498.db2.gz ILLGWSHCWGRFDV-ACCUITESSA-N 0 0 449.304 5.033 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)s1 ZINC000032967071 556587653 /nfs/dbraw/zinc/58/76/53/556587653.db2.gz DFVCULYJTOOLJM-UHFFFAOYSA-N 0 0 435.524 5.348 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)n1 ZINC000032970947 556589111 /nfs/dbraw/zinc/58/91/11/556589111.db2.gz FIVYHSNVTNUVTL-IBGZPJMESA-N 0 0 443.576 5.062 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)n1 ZINC000032970946 556589115 /nfs/dbraw/zinc/58/91/15/556589115.db2.gz FIVYHSNVTNUVTL-LJQANCHMSA-N 0 0 443.576 5.062 50 0 IKAARN COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Cl ZINC000016194505 556589528 /nfs/dbraw/zinc/58/95/28/556589528.db2.gz CXNIQNVUGPGQRA-UHFFFAOYSA-N 0 0 429.303 5.436 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000016194627 556589561 /nfs/dbraw/zinc/58/95/61/556589561.db2.gz UUGRKSYMSNWUGW-UHFFFAOYSA-N 0 0 431.254 5.127 50 0 IKAARN COc1cc(C(=O)NC[C@@H](SCc2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000016195217 556589820 /nfs/dbraw/zinc/58/98/20/556589820.db2.gz BOKUJBNYGKNEGN-HSZRJFAPSA-N 0 0 437.561 5.117 50 0 IKAARN Cc1cccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)c1 ZINC000016213382 556591184 /nfs/dbraw/zinc/59/11/84/556591184.db2.gz NFNYLBWXEVBDDE-ZVHZXABRSA-N 0 0 439.490 5.230 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1C ZINC000036105999 556593101 /nfs/dbraw/zinc/59/31/01/556593101.db2.gz FJYKJNSLZZWJHB-FQEVSTJZSA-N 0 0 436.621 6.397 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)C2CC2)cc1 ZINC000036115305 556593363 /nfs/dbraw/zinc/59/33/63/556593363.db2.gz PQLCPYPGWRNAPJ-UHFFFAOYSA-N 0 0 448.997 5.037 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1csc(COc2cccc3ccccc32)n1)C1CC1 ZINC000036115071 556593378 /nfs/dbraw/zinc/59/33/78/556593378.db2.gz XLSOGTPPWPHHTA-UHFFFAOYSA-N 0 0 428.557 5.989 50 0 IKAARN CC[C@@H](C(=O)NCc1cccc(CNC(=O)[C@@H](CC)c2ccccc2)c1)c1ccccc1 ZINC000016246814 556594043 /nfs/dbraw/zinc/59/40/43/556594043.db2.gz BUNQATLBDRXHJI-WMPKNSHKSA-N 0 0 428.576 5.307 50 0 IKAARN O=C(c1cccs1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccccc1 ZINC000036156363 556594156 /nfs/dbraw/zinc/59/41/56/556594156.db2.gz NQNMIFMHTXYOOX-UHFFFAOYSA-N 0 0 443.572 5.846 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1OC ZINC000016262421 556595129 /nfs/dbraw/zinc/59/51/29/556595129.db2.gz BELHGBQGHXYRDD-LJQANCHMSA-N 0 0 448.350 5.044 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248699 556595270 /nfs/dbraw/zinc/59/52/70/556595270.db2.gz KYQBDNSATULERL-INIZCTEOSA-N 0 0 433.932 5.753 50 0 IKAARN COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248624 556595333 /nfs/dbraw/zinc/59/53/33/556595333.db2.gz VJQQUXVWABCNDY-SFHVURJKSA-N 0 0 429.969 5.922 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248623 556595338 /nfs/dbraw/zinc/59/53/38/556595338.db2.gz VJQQUXVWABCNDY-GOSISDBHSA-N 0 0 429.969 5.922 50 0 IKAARN O=C1N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1F ZINC000016266031 556595600 /nfs/dbraw/zinc/59/56/00/556595600.db2.gz PQJDXCSVPGXQKL-YDZHTSKRSA-N 0 0 443.453 5.061 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccc(Br)cc1 ZINC000016267173 556595612 /nfs/dbraw/zinc/59/56/12/556595612.db2.gz QVOQMMLWNYWXSK-NTEUORMPSA-N 0 0 442.316 5.800 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)Nc2cccc(C)c2)c1C ZINC000032974531 556595771 /nfs/dbraw/zinc/59/57/71/556595771.db2.gz GPRLDBOECXEWDR-UHFFFAOYSA-N 0 0 449.551 5.360 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)c1C ZINC000032974492 556595789 /nfs/dbraw/zinc/59/57/89/556595789.db2.gz DENSOELTMZWKGY-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2cc(C)ccc2C)c1C ZINC000032974504 556595803 /nfs/dbraw/zinc/59/58/03/556595803.db2.gz KEWSYANPRNPPLV-UHFFFAOYSA-N 0 0 433.552 5.659 50 0 IKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccccc2CC)c1C ZINC000032974494 556595859 /nfs/dbraw/zinc/59/58/59/556595859.db2.gz RBWRLXJCKOAUBC-UHFFFAOYSA-N 0 0 447.579 5.913 50 0 IKAARN Cc1ccc(C(=C2[C@@H]3C=C[C@H]2[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 ZINC000016275728 556596508 /nfs/dbraw/zinc/59/65/08/556596508.db2.gz SRFOTTJWRPTJKS-WAWARTBOSA-N 0 0 445.562 5.723 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000036372815 556597511 /nfs/dbraw/zinc/59/75/11/556597511.db2.gz WYFMNELGVJKICS-IFMALSPDSA-N 0 0 429.333 6.038 50 0 IKAARN CC(C)(C)OC(=O)NC1(c2ccc3cc(Oc4ccccc4)ccc3c2)COC(C)(C)OC1 ZINC000036377896 556597581 /nfs/dbraw/zinc/59/75/81/556597581.db2.gz JHBVRKFHEWRWDI-UHFFFAOYSA-N 0 0 449.547 6.135 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1 ZINC000071761901 556598103 /nfs/dbraw/zinc/59/81/03/556598103.db2.gz CROZUQRRYRXYBO-UHFFFAOYSA-N 0 0 445.928 5.142 50 0 IKAARN Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016292577 556598092 /nfs/dbraw/zinc/59/80/92/556598092.db2.gz LEDPHOJZIGCPSJ-UHFFFAOYSA-N 0 0 444.556 5.291 50 0 IKAARN Cc1ccc([C@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cn1 ZINC000036444695 556598119 /nfs/dbraw/zinc/59/81/19/556598119.db2.gz UBMMSMSXXPZABH-RUZDIDTESA-N 0 0 430.444 6.852 50 0 IKAARN COc1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000016315399 556600147 /nfs/dbraw/zinc/60/01/47/556600147.db2.gz BIKYNDCDUMNFSQ-UHFFFAOYSA-N 0 0 432.589 5.040 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000016323097 556600608 /nfs/dbraw/zinc/60/06/08/556600608.db2.gz FACOHNLQLDJXFR-UHFFFAOYSA-N 0 0 428.857 5.156 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000016323118 556600631 /nfs/dbraw/zinc/60/06/31/556600631.db2.gz ILHZEJYVIMDQDX-QFIPXVFZSA-N 0 0 445.950 6.207 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)nc1 ZINC000016345387 556601075 /nfs/dbraw/zinc/60/10/75/556601075.db2.gz SPIZYSDPBQJPSZ-FQEVSTJZSA-N 0 0 437.282 5.553 50 0 IKAARN COc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000037285155 556601433 /nfs/dbraw/zinc/60/14/33/556601433.db2.gz WXPFCBFXMHUXJH-UHFFFAOYSA-N 0 0 444.438 5.276 50 0 IKAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H](C)C2)ncn1 ZINC000037357258 556602069 /nfs/dbraw/zinc/60/20/69/556602069.db2.gz UQAVYPQPDXIGOU-MJGOQNOKSA-N 0 0 442.579 5.216 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983469 556602083 /nfs/dbraw/zinc/60/20/83/556602083.db2.gz KOABHDXNBMADJR-NHDPSOOVSA-N 0 0 439.298 5.295 50 0 IKAARN CC(C)CN(CCC(=O)NCc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000037384544 556602334 /nfs/dbraw/zinc/60/23/34/556602334.db2.gz UORNATZZVWTCIA-UHFFFAOYSA-N 0 0 436.987 5.330 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983923 556602911 /nfs/dbraw/zinc/60/29/11/556602911.db2.gz ACJVEQGMZIRZQK-NHDPSOOVSA-N 0 0 439.298 5.295 50 0 IKAARN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000016362376 556603159 /nfs/dbraw/zinc/60/31/59/556603159.db2.gz JDJOUGXPIABHTE-UHFFFAOYSA-N 0 0 437.293 5.827 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000016381544 556603658 /nfs/dbraw/zinc/60/36/58/556603658.db2.gz BYRGNEZCMAMQCP-HSZRJFAPSA-N 0 0 444.289 5.140 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OCC)cc2)oc1C ZINC000032984653 556603817 /nfs/dbraw/zinc/60/38/17/556603817.db2.gz VINVZOLYOUGENI-UHFFFAOYSA-N 0 0 449.576 5.851 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000032984690 556604007 /nfs/dbraw/zinc/60/40/07/556604007.db2.gz UVJAZAFGNWJPTG-UHFFFAOYSA-N 0 0 439.540 5.950 50 0 IKAARN COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000016382641 556604028 /nfs/dbraw/zinc/60/40/28/556604028.db2.gz SWAAMVQWGRWMOY-UHFFFAOYSA-N 0 0 440.524 6.143 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)Cc2ccccc2)cc1 ZINC000016383457 556604062 /nfs/dbraw/zinc/60/40/62/556604062.db2.gz CMSRRYQWPGURQP-QHCPKHFHSA-N 0 0 449.348 5.378 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000032984790 556604066 /nfs/dbraw/zinc/60/40/66/556604066.db2.gz BGJOQTFHWLNFQM-GOSISDBHSA-N 0 0 447.560 5.140 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1Cc1ccccn1 ZINC000032984802 556604079 /nfs/dbraw/zinc/60/40/79/556604079.db2.gz FTCBTQZETFWDIK-UHFFFAOYSA-N 0 0 440.528 5.096 50 0 IKAARN Fc1cccc(F)c1CSc1nc(Oc2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000037509556 556604473 /nfs/dbraw/zinc/60/44/73/556604473.db2.gz PWMAKDZKSRLWLI-UHFFFAOYSA-N 0 0 442.365 5.587 50 0 IKAARN COc1ccccc1Oc1cc(C(F)(F)F)nc(SCc2c(F)cccc2F)n1 ZINC000037510083 556604506 /nfs/dbraw/zinc/60/45/06/556604506.db2.gz NNMNCASDZXJHEC-UHFFFAOYSA-N 0 0 428.382 5.867 50 0 IKAARN Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)cn1 ZINC000016392216 556604512 /nfs/dbraw/zinc/60/45/12/556604512.db2.gz CKKJFEPHLYITHZ-UHFFFAOYSA-N 0 0 433.515 5.411 50 0 IKAARN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016392012 556604572 /nfs/dbraw/zinc/60/45/72/556604572.db2.gz PRJJKCLXIHDLPE-UHFFFAOYSA-N 0 0 436.555 5.907 50 0 IKAARN COc1ccccc1-c1cc(C(=O)NCc2ccccc2Br)c2ccccc2n1 ZINC000016392138 556604604 /nfs/dbraw/zinc/60/46/04/556604604.db2.gz AONXDFJCUISBIL-UHFFFAOYSA-N 0 0 447.332 5.603 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccccc3)c2c1 ZINC000032985743 556605210 /nfs/dbraw/zinc/60/52/10/556605210.db2.gz MPAGEHHUKWYYPV-UHFFFAOYSA-N 0 0 426.472 5.096 50 0 IKAARN COc1ccc(OC)c(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)c1 ZINC000032985813 556605216 /nfs/dbraw/zinc/60/52/16/556605216.db2.gz OGLGIQBEJUMXRJ-UHFFFAOYSA-N 0 0 432.451 5.076 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3cccc(F)c3)c2c1 ZINC000032985757 556605261 /nfs/dbraw/zinc/60/52/61/556605261.db2.gz OZEFFSILLUNYNM-UHFFFAOYSA-N 0 0 444.462 5.235 50 0 IKAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccc(F)cc3)c2c1 ZINC000032985759 556605281 /nfs/dbraw/zinc/60/52/81/556605281.db2.gz BOVZNSFCUFRURN-UHFFFAOYSA-N 0 0 444.462 5.235 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccsc1NC(=O)c1cc(Cl)ccc1OC ZINC000016400342 556605509 /nfs/dbraw/zinc/60/55/09/556605509.db2.gz GQKBGBAYSKCVAP-UHFFFAOYSA-N 0 0 430.913 5.313 50 0 IKAARN COc1ccc(OC)c(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000032985924 556605544 /nfs/dbraw/zinc/60/55/44/556605544.db2.gz GDAJGKODCDYZJE-UHFFFAOYSA-N 0 0 428.488 5.245 50 0 IKAARN COc1cccc2c(OCC(=O)Nc3cccc(SC)c3)cc(-c3ccccc3)nc12 ZINC000032985837 556605549 /nfs/dbraw/zinc/60/55/49/556605549.db2.gz GJEBBCJLISGYDK-UHFFFAOYSA-N 0 0 430.529 5.650 50 0 IKAARN COc1ccc(C(=O)Nc2cccc3cccc(NC(=O)c4ccc(OC)cc4)c32)cc1 ZINC000016401001 556605714 /nfs/dbraw/zinc/60/57/14/556605714.db2.gz XBRYMCZEYSHGBW-UHFFFAOYSA-N 0 0 426.472 5.362 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21 ZINC000032986465 556605968 /nfs/dbraw/zinc/60/59/68/556605968.db2.gz MTSVICDVYOGRLK-UHFFFAOYSA-N 0 0 432.907 6.215 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3CC)cc21 ZINC000032986520 556605994 /nfs/dbraw/zinc/60/59/94/556605994.db2.gz ZHUFECNOLQXMCV-UHFFFAOYSA-N 0 0 426.516 6.124 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000032986483 556606009 /nfs/dbraw/zinc/60/60/09/556606009.db2.gz VPGHCIQFWRHACI-UHFFFAOYSA-N 0 0 426.516 6.178 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cc(C)ccc3OC)cc21 ZINC000032986615 556606267 /nfs/dbraw/zinc/60/62/67/556606267.db2.gz RHRBHFWIUGUJMZ-UHFFFAOYSA-N 0 0 446.934 6.523 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cc(C)ccc3OC)cc21 ZINC000032986529 556606271 /nfs/dbraw/zinc/60/62/71/556606271.db2.gz UIOQCBFEWOWWDF-UHFFFAOYSA-N 0 0 442.515 5.878 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccc(C)cc3)cc21 ZINC000032986560 556606319 /nfs/dbraw/zinc/60/63/19/556606319.db2.gz JVQUXEGSHDOYGG-UHFFFAOYSA-N 0 0 426.516 5.548 50 0 IKAARN COc1cccc(CN2[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986854 556606464 /nfs/dbraw/zinc/60/64/64/556606464.db2.gz YBQAQJQOMJMFPJ-OAQYLSRUSA-N 0 0 448.466 5.029 50 0 IKAARN Cc1cccc(CN2[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986847 556606465 /nfs/dbraw/zinc/60/64/65/556606465.db2.gz WDNZPGBNRXZBPR-NRFANRHFSA-N 0 0 432.467 5.329 50 0 IKAARN COc1cccc(CN2[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986853 556606498 /nfs/dbraw/zinc/60/64/98/556606498.db2.gz YBQAQJQOMJMFPJ-NRFANRHFSA-N 0 0 448.466 5.029 50 0 IKAARN Cc1ccc(C)c(CN2[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986856 556606771 /nfs/dbraw/zinc/60/67/71/556606771.db2.gz JFLKAWMEEBSRDP-JOCHJYFZSA-N 0 0 446.494 5.637 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000016444794 556607735 /nfs/dbraw/zinc/60/77/35/556607735.db2.gz AOQRJMSQGSNYJV-MRXNPFEDSA-N 0 0 443.931 5.094 50 0 IKAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1Oc1ccccc1 ZINC000032989089 556609015 /nfs/dbraw/zinc/60/90/15/556609015.db2.gz ZCHAPYDKFVFAQJ-UHFFFAOYSA-N 0 0 436.227 6.513 50 0 IKAARN COc1ccc2c(C)c(CCC(=O)N(C)Cc3ccc(Cl)cc3Cl)c(=O)oc2c1 ZINC000016468459 556609658 /nfs/dbraw/zinc/60/96/58/556609658.db2.gz GFODQMGWSKWSAK-UHFFFAOYSA-N 0 0 434.319 5.008 50 0 IKAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N1CCc2ccccc2C1 ZINC000016461456 556609680 /nfs/dbraw/zinc/60/96/80/556609680.db2.gz RYPASZUNTBFKPJ-UHFFFAOYSA-N 0 0 445.902 5.077 50 0 IKAARN COc1cc(Cl)ccc1Oc1c(F)c(F)c(/C=C/CN2CCOCC2)c(F)c1F ZINC000016475144 556610392 /nfs/dbraw/zinc/61/03/92/556610392.db2.gz WQIJJLXJVAYANA-NSCUHMNNSA-N 0 0 431.813 5.043 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1Cl ZINC000032995691 556610927 /nfs/dbraw/zinc/61/09/27/556610927.db2.gz VVNZIQLWKBZSQO-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1 ZINC000032995683 556610969 /nfs/dbraw/zinc/61/09/69/556610969.db2.gz JLFAPORRZSWBIP-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000016477983 556611014 /nfs/dbraw/zinc/61/10/14/556611014.db2.gz KCDWHLCOMIFVEY-STZFKDTASA-N 0 0 434.289 5.373 50 0 IKAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1ccc(Br)cc1F ZINC000032996318 556611175 /nfs/dbraw/zinc/61/11/75/556611175.db2.gz QTVJVVHAVODOJI-UHFFFAOYSA-N 0 0 431.265 5.550 50 0 IKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000032996724 556612427 /nfs/dbraw/zinc/61/24/27/556612427.db2.gz WBDMZYKHCUENPJ-HSZRJFAPSA-N 0 0 448.544 5.336 50 0 IKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(CSc2ccccc2)cc1 ZINC000016491688 556612582 /nfs/dbraw/zinc/61/25/82/556612582.db2.gz PQINRSNJQMUBCM-UHFFFAOYSA-N 0 0 448.440 7.158 50 0 IKAARN COc1cccc([C@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546911 556613672 /nfs/dbraw/zinc/61/36/72/556613672.db2.gz LETUBIIMOOANBF-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN Fc1ccccc1[C@@H]1c2cccn2CCN1C(=S)Nc1cccc(Br)c1 ZINC000013496886 556613704 /nfs/dbraw/zinc/61/37/04/556613704.db2.gz TYCLWAZPQAEZEO-LJQANCHMSA-N 0 0 430.346 5.192 50 0 IKAARN COc1ccc([C@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546901 556613731 /nfs/dbraw/zinc/61/37/31/556613731.db2.gz LKAPQNXXNVYJFS-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN COc1cccc([C@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546907 556613746 /nfs/dbraw/zinc/61/37/46/556613746.db2.gz ONRORRQQNJIMHK-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN Fc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(Br)c2)cc1 ZINC000013496883 556613766 /nfs/dbraw/zinc/61/37/66/556613766.db2.gz XDDCEHSXZIYQLG-IBGZPJMESA-N 0 0 430.346 5.192 50 0 IKAARN COc1ccccc1[C@H](Nc1cc(C)ccn1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546919 556613783 /nfs/dbraw/zinc/61/37/83/556613783.db2.gz MQHMMANIHSNKHH-QFIPXVFZSA-N 0 0 433.533 5.815 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccccc1F)CCCC2)c1ccco1 ZINC000038547384 556613922 /nfs/dbraw/zinc/61/39/22/556613922.db2.gz ZRVMTOCALMPVHW-HSZRJFAPSA-N 0 0 447.535 6.208 50 0 IKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546936 556613937 /nfs/dbraw/zinc/61/39/37/556613937.db2.gz GCDZIEGBQABOQP-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546930 556613945 /nfs/dbraw/zinc/61/39/45/556613945.db2.gz VUXZWXVGECEBRM-NRFANRHFSA-N 0 0 437.952 6.460 50 0 IKAARN CSc1ccc([C@@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547018 556613975 /nfs/dbraw/zinc/61/39/75/556613975.db2.gz VZMXOMUFFFKISY-JOCHJYFZSA-N 0 0 449.601 6.529 50 0 IKAARN CSc1ccc([C@H](Nc2cccc(C)n2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547016 556613993 /nfs/dbraw/zinc/61/39/93/556613993.db2.gz VZMXOMUFFFKISY-QFIPXVFZSA-N 0 0 449.601 6.529 50 0 IKAARN CCOc1ccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547008 556614002 /nfs/dbraw/zinc/61/40/02/556614002.db2.gz ZOTMIVMCPHRVEJ-QFIPXVFZSA-N 0 0 433.533 5.897 50 0 IKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546932 556614032 /nfs/dbraw/zinc/61/40/32/556614032.db2.gz VUXZWXVGECEBRM-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547011 556614051 /nfs/dbraw/zinc/61/40/51/556614051.db2.gz BCCIZHGTBCAXEN-HSZRJFAPSA-N 0 0 447.560 6.205 50 0 IKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551007 556614289 /nfs/dbraw/zinc/61/42/89/556614289.db2.gz HDFBDZAQOUQGHE-QHCPKHFHSA-N 0 0 431.536 6.353 50 0 IKAARN Cc1cc([C@H](Nc2ccccn2)c2ccc(C(C)C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038550555 556614369 /nfs/dbraw/zinc/61/43/69/556614369.db2.gz FDHDSGHWXDNPCF-HSZRJFAPSA-N 0 0 431.561 6.622 50 0 IKAARN Cc1ccc([C@H](Nc2ccccn2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)cc1 ZINC000038550638 556614380 /nfs/dbraw/zinc/61/43/80/556614380.db2.gz GCNAMRAFOAWYKM-DEOSSOPVSA-N 0 0 443.572 6.377 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1ccc(F)cc1)CCCC2)c1ccco1 ZINC000038550624 556614409 /nfs/dbraw/zinc/61/44/09/556614409.db2.gz SAWMWGUMVCTYGH-HSZRJFAPSA-N 0 0 447.535 6.208 50 0 IKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551013 556614601 /nfs/dbraw/zinc/61/46/01/556614601.db2.gz JUDYNLKQLXDUQO-HSZRJFAPSA-N 0 0 431.536 6.353 50 0 IKAARN Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2)n1 ZINC000038551041 556614639 /nfs/dbraw/zinc/61/46/39/556614639.db2.gz WZSXJVAYIVWABB-DEOSSOPVSA-N 0 0 443.572 6.377 50 0 IKAARN CC1(C)CN(C(=O)c2ccc(F)cc2)[C@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152915 556615556 /nfs/dbraw/zinc/61/55/56/556615556.db2.gz ZXCLSAAZIMUVLE-SANMLTNESA-N 0 0 446.547 5.193 50 0 IKAARN CC(C)c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000016576010 556616175 /nfs/dbraw/zinc/61/61/75/556616175.db2.gz YJILBTQXQMMSGP-UHFFFAOYSA-N 0 0 444.848 5.582 50 0 IKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)Nc2ccccc2C)C2CC2)o1 ZINC000033664078 556619955 /nfs/dbraw/zinc/61/99/55/556619955.db2.gz FGLOISMCBKRRLV-UHFFFAOYSA-N 0 0 445.563 5.164 50 0 IKAARN Fc1cc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c2c(c1)COCO2 ZINC000016660238 556621050 /nfs/dbraw/zinc/62/10/50/556621050.db2.gz ZRQQJNUITCRENH-UHFFFAOYSA-N 0 0 447.919 5.143 50 0 IKAARN CC(C)(C)CC(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1 ZINC000033683135 556621286 /nfs/dbraw/zinc/62/12/86/556621286.db2.gz NDWUFEQLAYVPQA-UHFFFAOYSA-N 0 0 449.595 6.209 50 0 IKAARN CC(=CC(=O)OCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)NC1CCCCC1 ZINC000016666935 556621287 /nfs/dbraw/zinc/62/12/87/556621287.db2.gz SZCHISYMFDBRPY-KNTRCKAVSA-N 0 0 429.645 6.289 50 0 IKAARN Cc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000016667609 556621608 /nfs/dbraw/zinc/62/16/08/556621608.db2.gz MHBYAXFMRCZVKG-VWLOTQADSA-N 0 0 444.003 7.436 50 0 IKAARN Cc1ccc2nc(COc3ccc(C(=O)N[C@H]4CCSc5ccccc54)cc3)cn2c1 ZINC000011703831 556621651 /nfs/dbraw/zinc/62/16/51/556621651.db2.gz UAQWKBSCKBRATJ-QFIPXVFZSA-N 0 0 429.545 5.189 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(F)c(F)c1)CC2 ZINC000016672235 556621909 /nfs/dbraw/zinc/62/19/09/556621909.db2.gz KPGUJBVJBJEBOP-DEOSSOPVSA-N 0 0 429.894 5.783 50 0 IKAARN CCOc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000016672178 556621964 /nfs/dbraw/zinc/62/19/64/556621964.db2.gz ZDEMKRSXFDGTEE-SANMLTNESA-N 0 0 437.967 5.904 50 0 IKAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1O ZINC000016672187 556622090 /nfs/dbraw/zinc/62/20/90/556622090.db2.gz VFLPLVCTYRBKSG-RUZDIDTESA-N 0 0 439.939 5.219 50 0 IKAARN Cc1cc(C)nc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)c1 ZINC000016677147 556622406 /nfs/dbraw/zinc/62/24/06/556622406.db2.gz IAGCLGRHQQRUAA-UHFFFAOYSA-N 0 0 432.321 5.928 50 0 IKAARN COC(=O)C(=C/c1cc2ccccc2s1)/C=C(/C(=O)OC)c1cc2ccccc2s1 ZINC000033699480 556622570 /nfs/dbraw/zinc/62/25/70/556622570.db2.gz YIUGOSGTVDHKDU-RNCFGZQNSA-N 0 0 434.538 5.929 50 0 IKAARN CC[C@H](C)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)c1ccccc1C ZINC000033703235 556622881 /nfs/dbraw/zinc/62/28/81/556622881.db2.gz VPMRWUFACCODHQ-NRFANRHFSA-N 0 0 434.605 5.526 50 0 IKAARN COc1ccccc1[C@@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@H](C(C)C)C1 ZINC000005033383 556623254 /nfs/dbraw/zinc/62/32/54/556623254.db2.gz BDEBULATKWBYRH-UIOOFZCWSA-N 0 0 427.560 5.346 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1F ZINC000005031934 556623525 /nfs/dbraw/zinc/62/35/25/556623525.db2.gz KHFBTGSGQORUSE-VPUSJEBWSA-N 0 0 425.588 6.036 50 0 IKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1F ZINC000005031938 556623586 /nfs/dbraw/zinc/62/35/86/556623586.db2.gz KHFBTGSGQORUSE-XNMGPUDCSA-N 0 0 425.588 6.036 50 0 IKAARN CCCCSCCCNC(=O)c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2 ZINC000005035935 556623588 /nfs/dbraw/zinc/62/35/88/556623588.db2.gz RIRYBJAWGYDDGR-UHFFFAOYSA-N 0 0 426.651 6.562 50 0 IKAARN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)[C@@H](c1ccccc1)N1CCC1=O ZINC000033710667 556625373 /nfs/dbraw/zinc/62/53/73/556625373.db2.gz MKOWFOUHENVFRT-XZOQPEGZSA-N 0 0 439.342 5.173 50 0 IKAARN O=C(N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl)[C@H](c1ccccc1)N1CCC1=O ZINC000033710668 556625514 /nfs/dbraw/zinc/62/55/14/556625514.db2.gz MKOWFOUHENVFRT-PKTZIBPZSA-N 0 0 439.342 5.173 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)cc1 ZINC000032998809 556626408 /nfs/dbraw/zinc/62/64/08/556626408.db2.gz RZBACJDIFXJZCS-UHFFFAOYSA-N 0 0 445.519 5.338 50 0 IKAARN Cc1ccccc1NC(=O)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998901 556626765 /nfs/dbraw/zinc/62/67/65/556626765.db2.gz BIVXIGABCZPJLH-UHFFFAOYSA-N 0 0 447.947 5.598 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4F)cc3)n2)cc1 ZINC000032998991 556626967 /nfs/dbraw/zinc/62/69/67/556626967.db2.gz CUSLZDIIBWLFFA-UHFFFAOYSA-N 0 0 431.492 5.084 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NC4CCCCCC4)cc3)n2)cc1 ZINC000032998981 556627004 /nfs/dbraw/zinc/62/70/04/556627004.db2.gz CCGRAMRQRIONRU-UHFFFAOYSA-N 0 0 433.577 5.145 50 0 IKAARN Cc1ccc(NC(=O)c2csc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)n2)cc1C ZINC000033719777 556627122 /nfs/dbraw/zinc/62/71/22/556627122.db2.gz WCKPROPHFFKSMQ-UHFFFAOYSA-N 0 0 449.576 5.235 50 0 IKAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000032999012 556627355 /nfs/dbraw/zinc/62/73/55/556627355.db2.gz DGOGXVJCBQPRAY-UHFFFAOYSA-N 0 0 441.556 5.561 50 0 IKAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016698975 556629189 /nfs/dbraw/zinc/62/91/89/556629189.db2.gz USRBQMUWRBMITF-MRXNPFEDSA-N 0 0 445.490 5.127 50 0 IKAARN O=C(N[C@@H](c1ccco1)c1ccccc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699217 556629223 /nfs/dbraw/zinc/62/92/23/556629223.db2.gz IHAZQUNAYWHCBB-AREMUKBSSA-N 0 0 438.527 5.191 50 0 IKAARN CCc1cc(Oc2cccc(C(C)C)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349849 556629247 /nfs/dbraw/zinc/62/92/47/556629247.db2.gz MZJVYUBHOVKYRS-UHFFFAOYSA-N 0 0 432.511 7.266 50 0 IKAARN COc1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(OC)c1OC ZINC000039479203 556629245 /nfs/dbraw/zinc/62/92/45/556629245.db2.gz DYIJWMHLSHPQJV-KRWDZBQOSA-N 0 0 431.536 5.211 50 0 IKAARN CC(C)n1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2o1 ZINC000039758008 556629814 /nfs/dbraw/zinc/62/98/14/556629814.db2.gz KKOJGFKLHWMWIA-INIZCTEOSA-N 0 0 432.549 5.342 50 0 IKAARN Cc1sc2nc(SCC(=O)c3ccc(Cl)cc3)n(Cc3ccco3)c(=O)c2c1C ZINC000016713436 556630447 /nfs/dbraw/zinc/63/04/47/556630447.db2.gz KNIQKWNKGAPVHV-UHFFFAOYSA-N 0 0 444.965 5.345 50 0 IKAARN COc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 ZINC000016713444 556630517 /nfs/dbraw/zinc/63/05/17/556630517.db2.gz PGNBSXKPMLCORP-UHFFFAOYSA-N 0 0 438.574 5.279 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2Cl)scc1-c1ccc(C)cc1 ZINC000033759829 556631697 /nfs/dbraw/zinc/63/16/97/556631697.db2.gz CQZHSKLUQAPMOV-NTMALXAHSA-N 0 0 446.355 6.469 50 0 IKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000016733606 556632357 /nfs/dbraw/zinc/63/23/57/556632357.db2.gz LFEBJETXWVGQNQ-ZWNOBZJWSA-N 0 0 448.828 6.014 50 0 IKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)nc1 ZINC000016736361 556633347 /nfs/dbraw/zinc/63/33/47/556633347.db2.gz SFJTUGPDVJAAHX-FQEVSTJZSA-N 0 0 447.288 5.009 50 0 IKAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000016736778 556633608 /nfs/dbraw/zinc/63/36/08/556633608.db2.gz PPJLHFFECZMINH-HSZRJFAPSA-N 0 0 426.472 5.035 50 0 IKAARN c1ccc(-c2cc(-c3nn4c(CN5CCCCC5)nnc4s3)c3ccccc3n2)cc1 ZINC000040267339 556634200 /nfs/dbraw/zinc/63/42/00/556634200.db2.gz VVHJLKFVGYREON-UHFFFAOYSA-N 0 0 426.549 5.054 50 0 IKAARN Cc1ccccc1CSc1nnc(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)s1 ZINC000016742501 556636326 /nfs/dbraw/zinc/63/63/26/556636326.db2.gz RBAPISDQYXUIDH-KRWDZBQOSA-N 0 0 441.622 5.977 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H]1c3cnn(-c4ccccc4)c3OC(C)(C)[C@@H]1CS2 ZINC000033800529 556636757 /nfs/dbraw/zinc/63/67/57/556636757.db2.gz QSGYPIOMMSUDJY-IRLDBZIGSA-N 0 0 428.561 5.391 50 0 IKAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000016750319 556637100 /nfs/dbraw/zinc/63/71/00/556637100.db2.gz QEOMNVHIQGILEL-DEOSSOPVSA-N 0 0 449.547 5.332 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC ZINC000016751107 556637272 /nfs/dbraw/zinc/63/72/72/556637272.db2.gz JVYSRRWIBUZDQB-HSZRJFAPSA-N 0 0 435.520 5.326 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000016751128 556637296 /nfs/dbraw/zinc/63/72/96/556637296.db2.gz AFFAISRWTZNPIX-DEOSSOPVSA-N 0 0 425.484 5.327 50 0 IKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000016751131 556637337 /nfs/dbraw/zinc/63/73/37/556637337.db2.gz AFFAISRWTZNPIX-XMMPIXPASA-N 0 0 425.484 5.327 50 0 IKAARN CCCCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 ZINC000016752866 556638150 /nfs/dbraw/zinc/63/81/50/556638150.db2.gz GFRRMVDTWUMPJL-GOSISDBHSA-N 0 0 449.557 5.287 50 0 IKAARN COc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(Cl)c3)n2)cc1 ZINC000037509688 556639091 /nfs/dbraw/zinc/63/90/91/556639091.db2.gz VUHPDCDSNPXFBE-UHFFFAOYSA-N 0 0 426.847 6.242 50 0 IKAARN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000016757509 556639242 /nfs/dbraw/zinc/63/92/42/556639242.db2.gz CORMOPHCFGFPIX-OAQYLSRUSA-N 0 0 447.560 5.530 50 0 IKAARN COc1cc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc(OC)c1OC ZINC000016758713 556639830 /nfs/dbraw/zinc/63/98/30/556639830.db2.gz GLTVCNKJBXASDQ-UZUQRXQVSA-N 0 0 440.883 5.201 50 0 IKAARN COc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000409414364 556639839 /nfs/dbraw/zinc/63/98/39/556639839.db2.gz UNEHDYNVBCOTEX-HSZRJFAPSA-N 0 0 445.519 5.089 50 0 IKAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc21 ZINC000016780476 556641597 /nfs/dbraw/zinc/64/15/97/556641597.db2.gz ZDRUQDITMPHCGR-UHFFFAOYSA-N 0 0 433.360 5.101 50 0 IKAARN CCc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)cc1 ZINC000005151959 556642885 /nfs/dbraw/zinc/64/28/85/556642885.db2.gz NDBKMYVCBOCDIX-UHFFFAOYSA-N 0 0 426.564 5.788 50 0 IKAARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(Cl)c2)CC(=O)N1Cc1ccc(F)c(F)c1 ZINC000037575051 556643255 /nfs/dbraw/zinc/64/32/55/556643255.db2.gz BAXQHAVERXVWNQ-SFHVURJKSA-N 0 0 447.909 5.750 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)c12 ZINC000005152007 556643279 /nfs/dbraw/zinc/64/32/79/556643279.db2.gz ZUPOPRIVMDMSIB-UHFFFAOYSA-N 0 0 430.596 5.593 50 0 IKAARN COc1ccc(N2C(=O)C(P3[C@H](C)CC[C@H]3C)=C(P3[C@H](C)CC[C@H]3C)C2=O)cc1 ZINC000040450112 556643716 /nfs/dbraw/zinc/64/37/16/556643716.db2.gz VIHNLSFENROIRF-QBPKDAKJSA-N 0 0 431.453 5.885 50 0 IKAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)CC(=O)N1Cc1cc(F)cc(F)c1 ZINC000037576641 556643851 /nfs/dbraw/zinc/64/38/51/556643851.db2.gz HWCUMYRBUGNFEH-LJQANCHMSA-N 0 0 433.882 5.360 50 0 IKAARN COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1Cl ZINC000016806372 556644158 /nfs/dbraw/zinc/64/41/58/556644158.db2.gz IKDLSHGGQINTDV-UHFFFAOYSA-N 0 0 427.224 5.372 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCc1ccccc1 ZINC000037555357 556644375 /nfs/dbraw/zinc/64/43/75/556644375.db2.gz SATMHSMBOPMQAR-UHFFFAOYSA-N 0 0 426.560 5.269 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(N(Cc3cccc(F)c3)C(=O)C3CCCC3)cc2)c1 ZINC000037555548 556644440 /nfs/dbraw/zinc/64/44/40/556644440.db2.gz BQZDHJITQHIXNR-UHFFFAOYSA-N 0 0 444.550 6.039 50 0 IKAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccs2)cc1)NCc1ccco1 ZINC000037555472 556644461 /nfs/dbraw/zinc/64/44/61/556644461.db2.gz YLYQZVCTOOHNSZ-UHFFFAOYSA-N 0 0 448.519 5.186 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NCCc1ccccc1 ZINC000037555853 556644637 /nfs/dbraw/zinc/64/46/37/556644637.db2.gz LFMNNGNSJVGNOB-UHFFFAOYSA-N 0 0 448.566 5.435 50 0 IKAARN Cc1nn(C(=O)Nc2c(C)onc2-c2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC000040566719 556645001 /nfs/dbraw/zinc/64/50/01/556645001.db2.gz PSVYYCUSDUTFLF-UHFFFAOYSA-N 0 0 427.291 6.209 50 0 IKAARN Cc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000037556927 556645209 /nfs/dbraw/zinc/64/52/09/556645209.db2.gz XNBZZNNQOKFDKT-UHFFFAOYSA-N 0 0 430.523 5.146 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1ccccc1F ZINC000016840618 556645441 /nfs/dbraw/zinc/64/54/41/556645441.db2.gz CXCZHFXCQKIGQG-UHFFFAOYSA-N 0 0 428.492 5.419 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)cc1C ZINC000016840633 556645462 /nfs/dbraw/zinc/64/54/62/556645462.db2.gz CKQQTAPBURTWSX-UHFFFAOYSA-N 0 0 438.556 5.897 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)NCc1ccc(F)cc1 ZINC000016841170 556645813 /nfs/dbraw/zinc/64/58/13/556645813.db2.gz KKYCPMZGXMFHCD-UHFFFAOYSA-N 0 0 442.519 5.097 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1cc(F)ccc1F ZINC000016840655 556645900 /nfs/dbraw/zinc/64/59/00/556645900.db2.gz BQTKFNHTCSAQEH-UHFFFAOYSA-N 0 0 446.482 5.559 50 0 IKAARN Cc1ccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587624 556645938 /nfs/dbraw/zinc/64/59/38/556645938.db2.gz SAJGWYCRTVHEKZ-UHFFFAOYSA-N 0 0 438.493 5.724 50 0 IKAARN Cc1ccc(C(=O)N(c2cccc(C)c2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587947 556645946 /nfs/dbraw/zinc/64/59/46/556645946.db2.gz ZWHLKQBBYKFXQG-UHFFFAOYSA-N 0 0 434.530 5.893 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)NCCc1ccccc1 ZINC000016841181 556646084 /nfs/dbraw/zinc/64/60/84/556646084.db2.gz SEDMGHBGVVEZSS-UHFFFAOYSA-N 0 0 438.556 5.001 50 0 IKAARN O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccccc1C(F)(F)F ZINC000016841432 556646129 /nfs/dbraw/zinc/64/61/29/556646129.db2.gz OONUHIQHFCCYCS-UHFFFAOYSA-N 0 0 446.429 5.285 50 0 IKAARN C[C@H](NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)c1ccccc1 ZINC000037600856 556646191 /nfs/dbraw/zinc/64/61/91/556646191.db2.gz FAYYSUNSCSOTFK-QFIPXVFZSA-N 0 0 440.587 5.830 50 0 IKAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)NCc1ccc(F)cc1 ZINC000037600554 556646232 /nfs/dbraw/zinc/64/62/32/556646232.db2.gz RMQIMWHBEKQOEX-UHFFFAOYSA-N 0 0 442.490 5.125 50 0 IKAARN CC(C)NC(=O)N(Cc1ccccc1)c1cccc(CC(=O)N(C)Cc2ccccc2)c1 ZINC000037600568 556646235 /nfs/dbraw/zinc/64/62/35/556646235.db2.gz JUFLBSGAZQIMAF-UHFFFAOYSA-N 0 0 429.564 5.012 50 0 IKAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000016845019 556646612 /nfs/dbraw/zinc/64/66/12/556646612.db2.gz AVPJVRSIUQRQHI-UHFFFAOYSA-N 0 0 441.965 5.046 50 0 IKAARN CCn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000016845209 556646773 /nfs/dbraw/zinc/64/67/73/556646773.db2.gz IPXFLPFLJXWWEH-UHFFFAOYSA-N 0 0 439.537 5.015 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845109 556646831 /nfs/dbraw/zinc/64/68/31/556646831.db2.gz VPPJIHWKKGVMEJ-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845119 556646880 /nfs/dbraw/zinc/64/68/80/556646880.db2.gz RAKRSFUKTDVBKK-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(-c3ccc(C)cc3)csc2c1=O ZINC000016846181 556647087 /nfs/dbraw/zinc/64/70/87/556647087.db2.gz FEHODRMWRNWZKQ-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1C ZINC000016846905 556647532 /nfs/dbraw/zinc/64/75/32/556647532.db2.gz TUTVAZNGHAXWGC-UHFFFAOYSA-N 0 0 443.525 5.046 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000032923089 556648035 /nfs/dbraw/zinc/64/80/35/556648035.db2.gz MUQQEOMHYMISAS-QHCPKHFHSA-N 0 0 430.504 5.015 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)c1 ZINC000016902538 556648795 /nfs/dbraw/zinc/64/87/95/556648795.db2.gz WQZPFLPKHUEMBE-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954257 556650133 /nfs/dbraw/zinc/65/01/33/556650133.db2.gz UJDAPWZYXPRTRE-UHFFFAOYSA-N 0 0 440.551 5.870 50 0 IKAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000247959880 556650580 /nfs/dbraw/zinc/65/05/80/556650580.db2.gz OAKUTWKDBHUFJR-ZSHCYNCHSA-N 0 0 430.392 5.696 50 0 IKAARN O=C(Cc1cccc2ccccc21)N1CCN=C1SCc1ccc(Br)cc1 ZINC000011757694 556651708 /nfs/dbraw/zinc/65/17/08/556651708.db2.gz TZFFPXBQTHAJLS-UHFFFAOYSA-N 0 0 439.378 5.276 50 0 IKAARN O=C(N1CCN=C1SCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000011757675 556651726 /nfs/dbraw/zinc/65/17/26/556651726.db2.gz SBKPERSVWBNXPW-UHFFFAOYSA-N 0 0 433.415 5.097 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccc(F)cc1 ZINC000011757674 556651779 /nfs/dbraw/zinc/65/17/79/556651779.db2.gz UWJISPGEJGZBPA-UHFFFAOYSA-N 0 0 429.904 5.188 50 0 IKAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCc1nc(-c2ccsc2)no1 ZINC000016988481 556651971 /nfs/dbraw/zinc/65/19/71/556651971.db2.gz IMUDMRSNCLYBKX-UHFFFAOYSA-N 0 0 432.958 5.110 50 0 IKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016995696 556652531 /nfs/dbraw/zinc/65/25/31/556652531.db2.gz UIVXJZOCCAWDMJ-HSZRJFAPSA-N 0 0 448.885 5.024 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c(OC)c1 ZINC000011758415 556652660 /nfs/dbraw/zinc/65/26/60/556652660.db2.gz WXCUKVWHVPOICS-UHFFFAOYSA-N 0 0 444.487 5.274 50 0 IKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 ZINC000017013176 556652778 /nfs/dbraw/zinc/65/27/78/556652778.db2.gz KVKGYDHZBGCVCU-UHFFFAOYSA-N 0 0 425.895 5.174 50 0 IKAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc3S2)cc1 ZINC000017042070 556653778 /nfs/dbraw/zinc/65/37/78/556653778.db2.gz RUXBDSFITIWLJL-HSZRJFAPSA-N 0 0 432.545 5.212 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000033000580 556653968 /nfs/dbraw/zinc/65/39/68/556653968.db2.gz MTACIEUQXUMXBC-UHFFFAOYSA-N 0 0 431.558 5.541 50 0 IKAARN Cc1ccc2oc(-c3ccc(NC(=O)CCCc4nc(-c5ccccc5)no4)cc3)nc2c1 ZINC000033000065 556653980 /nfs/dbraw/zinc/65/39/80/556653980.db2.gz HBIOQBLFCLUXKD-UHFFFAOYSA-N 0 0 438.487 5.815 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1 ZINC000033000486 556654273 /nfs/dbraw/zinc/65/42/73/556654273.db2.gz DXBUWOFDGDVCHL-UHFFFAOYSA-N 0 0 447.585 5.896 50 0 IKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 ZINC000033000796 556654315 /nfs/dbraw/zinc/65/43/15/556654315.db2.gz HJJOPPGDLKKWSK-UHFFFAOYSA-N 0 0 441.622 6.019 50 0 IKAARN Cc1nn(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)c(C)c1CCC(C)C ZINC000033004607 556654669 /nfs/dbraw/zinc/65/46/69/556654669.db2.gz PJYALZLIKVFHTM-UHFFFAOYSA-N 0 0 431.005 5.677 50 0 IKAARN CCN(Cc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC000032925875 556655199 /nfs/dbraw/zinc/65/51/99/556655199.db2.gz PFKQFRFMUZJXEM-UHFFFAOYSA-N 0 0 436.474 5.644 50 0 IKAARN CSc1cccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000033008396 556655825 /nfs/dbraw/zinc/65/58/25/556655825.db2.gz SDPREWFSQCBKFC-UHFFFAOYSA-N 0 0 448.573 6.223 50 0 IKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccccc3Br)cc2OC)s1 ZINC000033008438 556655864 /nfs/dbraw/zinc/65/58/64/556655864.db2.gz QCVLMFACNUILTI-UHFFFAOYSA-N 0 0 449.330 5.060 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(C)cc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008642 556656169 /nfs/dbraw/zinc/65/61/69/556656169.db2.gz WMHJTTHJTPVDAO-UHFFFAOYSA-N 0 0 446.532 5.818 50 0 IKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000017085922 556657164 /nfs/dbraw/zinc/65/71/64/556657164.db2.gz YYVVLIYYXWRGTF-NTKDMRAZSA-N 0 0 446.616 6.332 50 0 IKAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc(Cl)c1O ZINC000017085954 556657175 /nfs/dbraw/zinc/65/71/75/556657175.db2.gz KIGVNDDVIMLPAK-BLVKFPJESA-N 0 0 434.989 5.511 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033008231 556657207 /nfs/dbraw/zinc/65/72/07/556657207.db2.gz MFVBKXQPHDUJPS-UHFFFAOYSA-N 0 0 432.505 5.591 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3cccc(C)c3)c2)cc1 ZINC000033009358 556657453 /nfs/dbraw/zinc/65/74/53/556657453.db2.gz KRTPTHVISOYXHL-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN COc1ccc(NC(=O)Nc2cc(NC(=O)c3ccc(C)cc3)ccc2N2CCCC2)cc1 ZINC000033009346 556657527 /nfs/dbraw/zinc/65/75/27/556657527.db2.gz GLYKLVBBTLUTEK-UHFFFAOYSA-N 0 0 444.535 5.500 50 0 IKAARN CCc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCCC1 ZINC000033009362 556657531 /nfs/dbraw/zinc/65/75/31/556657531.db2.gz JRUXJQKTNFBRJK-UHFFFAOYSA-N 0 0 442.563 6.054 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c1 ZINC000033009406 556657555 /nfs/dbraw/zinc/65/75/55/556657555.db2.gz JOHTVRWIQJNIPC-UHFFFAOYSA-N 0 0 428.536 5.800 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(NC(=O)Nc3ccccc3C)c2)c1 ZINC000033009533 556657640 /nfs/dbraw/zinc/65/76/40/556657640.db2.gz PTSCRZOLSLORTE-UHFFFAOYSA-N 0 0 442.563 6.190 50 0 IKAARN O=C(Nc1ccc(F)cc1F)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009487 556657650 /nfs/dbraw/zinc/65/76/50/556657650.db2.gz BFGGCHWYZKJZBL-UHFFFAOYSA-N 0 0 436.462 5.461 50 0 IKAARN Cc1ccccc1-c1nc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cs1 ZINC000017094583 556657628 /nfs/dbraw/zinc/65/76/28/556657628.db2.gz MSTCBZGSSLLZRS-UHFFFAOYSA-N 0 0 425.604 5.588 50 0 IKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)c1 ZINC000033009610 556657687 /nfs/dbraw/zinc/65/76/87/556657687.db2.gz HNIHLBVRUAZAOU-UHFFFAOYSA-N 0 0 428.536 5.882 50 0 IKAARN O=C(Nc1cccc(F)c1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCCC1 ZINC000033009709 556657936 /nfs/dbraw/zinc/65/79/36/556657936.db2.gz YYNOJALJVCMDHB-UHFFFAOYSA-N 0 0 446.526 6.102 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010513 556658384 /nfs/dbraw/zinc/65/83/84/556658384.db2.gz ZWVCMUFGPSJLGB-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010508 556658397 /nfs/dbraw/zinc/65/83/97/556658397.db2.gz AYQNHFPTRITIIX-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)N[C@H](C)CCc4ccccc4)c3)ncn2)c1 ZINC000033010496 556658399 /nfs/dbraw/zinc/65/83/99/556658399.db2.gz MZOYZGHFHLWGKT-OAQYLSRUSA-N 0 0 436.559 5.947 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010530 556658401 /nfs/dbraw/zinc/65/84/01/556658401.db2.gz VXTSPTJWHZNNRV-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010623 556658706 /nfs/dbraw/zinc/65/87/06/556658706.db2.gz QMPIPOYRQFOXHX-UHFFFAOYSA-N 0 0 448.885 5.941 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1Cl ZINC000033010825 556658783 /nfs/dbraw/zinc/65/87/83/556658783.db2.gz VRVROQORITUPIY-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN Clc1ccc(Cl)c(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000033010822 556658817 /nfs/dbraw/zinc/65/88/17/556658817.db2.gz ZQYXLRSDQVUMTP-UHFFFAOYSA-N 0 0 436.364 5.111 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000017095495 556659008 /nfs/dbraw/zinc/65/90/08/556659008.db2.gz MKPAGWIGANGABR-UHFFFAOYSA-N 0 0 427.541 5.886 50 0 IKAARN COC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)cc1 ZINC000017095832 556659250 /nfs/dbraw/zinc/65/92/50/556659250.db2.gz BEHNZBZHKAZWEM-UHFFFAOYSA-N 0 0 428.488 5.069 50 0 IKAARN Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4ccc(F)cc4)n3)nc21 ZINC000011835146 556659355 /nfs/dbraw/zinc/65/93/55/556659355.db2.gz PORSHYLCOILQIL-UHFFFAOYSA-N 0 0 440.525 5.024 50 0 IKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)ncn2)cc1 ZINC000033010788 556659359 /nfs/dbraw/zinc/65/93/59/556659359.db2.gz CHEKKEWZIQWPRV-UHFFFAOYSA-N 0 0 428.923 6.410 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCCC1=CCCCC1 ZINC000017096135 556659761 /nfs/dbraw/zinc/65/97/61/556659761.db2.gz AMEDAKCFORYZKK-UHFFFAOYSA-N 0 0 428.623 5.693 50 0 IKAARN O=C(Nc1ccccc1-c1nc2ccccc2o1)c1cc(-c2cccs2)nc2ccccc21 ZINC000011847348 556660135 /nfs/dbraw/zinc/66/01/35/556660135.db2.gz SCNOTOOCDFZKQF-UHFFFAOYSA-N 0 0 447.519 7.024 50 0 IKAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)nc2)cc1 ZINC000017096624 556660456 /nfs/dbraw/zinc/66/04/56/556660456.db2.gz BRTFZOBRZKXEKS-RTBURBONSA-N 0 0 429.564 6.613 50 0 IKAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)nc2)cc1 ZINC000017096623 556660492 /nfs/dbraw/zinc/66/04/92/556660492.db2.gz BRTFZOBRZKXEKS-OALUTQOASA-N 0 0 429.564 6.613 50 0 IKAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(Cl)cc1C ZINC000017096695 556660501 /nfs/dbraw/zinc/66/05/01/556660501.db2.gz MINCZBLICRYZKG-UHFFFAOYSA-N 0 0 429.925 5.489 50 0 IKAARN Cc1cccc2c(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc(-c3cccnc3)nc12 ZINC000017096980 556660676 /nfs/dbraw/zinc/66/06/76/556660676.db2.gz VWRJTMRZUGGMRT-UHFFFAOYSA-N 0 0 430.511 5.843 50 0 IKAARN COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cccc12 ZINC000017097027 556661002 /nfs/dbraw/zinc/66/10/02/556661002.db2.gz BAUWJKKCXNDRJW-UHFFFAOYSA-N 0 0 430.529 5.927 50 0 IKAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3F)c12 ZINC000013961126 556661854 /nfs/dbraw/zinc/66/18/54/556661854.db2.gz WTCQWWSGZPJQRE-UHFFFAOYSA-N 0 0 431.309 5.352 50 0 IKAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C1N=NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000017097574 556661994 /nfs/dbraw/zinc/66/19/94/556661994.db2.gz OXYZHLMJMISLPO-MRXNPFEDSA-N 0 0 431.517 5.134 50 0 IKAARN O=C1N[C@H](c2ccccn2)Nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000017097896 556662513 /nfs/dbraw/zinc/66/25/13/556662513.db2.gz AZXNZNFWAZIGJT-MRXNPFEDSA-N 0 0 432.452 5.293 50 0 IKAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000033013154 556662578 /nfs/dbraw/zinc/66/25/78/556662578.db2.gz XDUAUIHCRMHAGE-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccccc1C ZINC000033013223 556662601 /nfs/dbraw/zinc/66/26/01/556662601.db2.gz MEJNWCZYPORQIB-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000033013225 556662620 /nfs/dbraw/zinc/66/26/20/556662620.db2.gz SMXPYGXCKDAASI-UHFFFAOYSA-N 0 0 429.476 5.128 50 0 IKAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000011852849 556662635 /nfs/dbraw/zinc/66/26/35/556662635.db2.gz PPOVQTWWSZCSQU-SJCQXOIGSA-N 0 0 445.547 6.349 50 0 IKAARN CSc1nc2ccc3nc(NC(=S)NC(=O)c4ccc(C)cc4)sc3c2s1 ZINC000011852826 556662645 /nfs/dbraw/zinc/66/26/45/556662645.db2.gz YKVCRUHFGTZUSC-UHFFFAOYSA-N 0 0 430.605 5.063 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3)cs/c2=N/C(=O)c2ccccc2Br)cc1 ZINC000100752603 556663016 /nfs/dbraw/zinc/66/30/16/556663016.db2.gz WVXMYOVDRLVGFN-WJTDDFOZSA-N 0 0 449.373 6.018 50 0 IKAARN COc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017098263 556663037 /nfs/dbraw/zinc/66/30/37/556663037.db2.gz ZTZVNKVBNXLSFP-UHFFFAOYSA-N 0 0 432.951 6.553 50 0 IKAARN COc1ccccc1-c1nn(Cc2cc(C)ccc2C)c(-c2ccccc2OC)c1Cl ZINC000017098261 556663043 /nfs/dbraw/zinc/66/30/43/556663043.db2.gz NMHJWEMRGQYWCM-UHFFFAOYSA-N 0 0 432.951 6.553 50 0 IKAARN Cc1ccc(C(C)C)c(OCc2ccc(C3N=NC(=S)N3c3ccc(C)c(C)c3)o2)c1 ZINC000017098587 556663291 /nfs/dbraw/zinc/66/32/91/556663291.db2.gz HEOWZNMTUWQPFH-UHFFFAOYSA-N 0 0 433.577 6.444 50 0 IKAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1 ZINC000011865241 556664379 /nfs/dbraw/zinc/66/43/79/556664379.db2.gz PUTGWIKEHKIGOU-UHFFFAOYSA-N 0 0 434.419 5.398 50 0 IKAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000011865240 556664383 /nfs/dbraw/zinc/66/43/83/556664383.db2.gz XJLDFZOQYGPKLR-UHFFFAOYSA-N 0 0 430.456 5.568 50 0 IKAARN COc1cccc(Cn2nc(-c3ccccc3OC)c(Cl)c2-c2ccccc2OC)c1 ZINC000017099287 556664477 /nfs/dbraw/zinc/66/44/77/556664477.db2.gz IYOAEDXVWABYAS-UHFFFAOYSA-N 0 0 434.923 5.945 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)CCc4ccccc4)cc3)nc(C)n2)cc1 ZINC000033014175 556664627 /nfs/dbraw/zinc/66/46/27/556664627.db2.gz JBJIRPFFAVHRRE-UHFFFAOYSA-N 0 0 437.547 6.152 50 0 IKAARN Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017099464 556664759 /nfs/dbraw/zinc/66/47/59/556664759.db2.gz BQNBYQPOXBDVPX-UHFFFAOYSA-N 0 0 435.398 7.806 50 0 IKAARN Cc1sc(-n2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)nc1-c1ccccc1 ZINC000017099687 556664887 /nfs/dbraw/zinc/66/48/87/556664887.db2.gz GZYIEAGCCONCOR-UHFFFAOYSA-N 0 0 435.596 7.563 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1 ZINC000017099661 556664944 /nfs/dbraw/zinc/66/49/44/556664944.db2.gz ZWIKYNYRRODEER-UHFFFAOYSA-N 0 0 435.571 5.789 50 0 IKAARN COc1ccc(-c2c(C)c3ccc(OCC(=O)Nc4ccc(C)cc4)c(C)c3oc2=O)cc1 ZINC000011865154 556664966 /nfs/dbraw/zinc/66/49/66/556664966.db2.gz HMFVNOZLGSXKHP-UHFFFAOYSA-N 0 0 443.499 5.411 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3oc2=O)cc1 ZINC000011865117 556665006 /nfs/dbraw/zinc/66/50/06/556665006.db2.gz GPOGCCDZQMJVNQ-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 biogenic IKAARN CCCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 ZINC000017099885 556665213 /nfs/dbraw/zinc/66/52/13/556665213.db2.gz OXJAEBBLKZQPHZ-ZDUSSCGKSA-N 0 0 435.973 5.419 50 0 IKAARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1c(F)cccc1Cl ZINC000011867280 556665260 /nfs/dbraw/zinc/66/52/60/556665260.db2.gz HMJFKOGOUQLFDD-UHFFFAOYSA-N 0 0 429.900 6.159 50 0 IKAARN CCc1cc2c(cc1OCc1ccc(Cl)cc1)oc(N)c(-c1nc(C)cs1)c2=O ZINC000011867292 556665281 /nfs/dbraw/zinc/66/52/81/556665281.db2.gz PVFLLZJFWUATRZ-UHFFFAOYSA-N 0 0 426.925 5.602 50 0 IKAARN CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000017100556 556665428 /nfs/dbraw/zinc/66/54/28/556665428.db2.gz OQXPLXXSSANLTJ-UHFFFAOYSA-N 0 0 436.562 5.418 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2nc(-c3ccc(OC(F)(F)F)cc3)sc2C)cc1 ZINC000011865765 556665515 /nfs/dbraw/zinc/66/55/15/556665515.db2.gz HBDORQDYXNNNRH-UHFFFAOYSA-N 0 0 435.427 5.228 50 0 IKAARN COc1ccc2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 ZINC000017100834 556665708 /nfs/dbraw/zinc/66/57/08/556665708.db2.gz WOQOSCKSLPPARB-UHFFFAOYSA-N 0 0 436.895 5.953 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)Nc4ccccc4)cc3s2)c1 ZINC000033018924 556665830 /nfs/dbraw/zinc/66/58/30/556665830.db2.gz HNKWAYWCLNBAAJ-UHFFFAOYSA-N 0 0 448.573 5.980 50 0 IKAARN CCCn1c(C)nnc1SCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000017101631 556666124 /nfs/dbraw/zinc/66/61/24/556666124.db2.gz QQGPHKUINNUJRP-UHFFFAOYSA-N 0 0 437.594 5.312 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4c(OC)cccc4OC)ccc3oc2=O)cc1 ZINC000011866217 556666169 /nfs/dbraw/zinc/66/61/69/556666169.db2.gz ZSAUACKNPZDHSM-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 IKAARN COc1cccc(COc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)c1 ZINC000011866219 556666186 /nfs/dbraw/zinc/66/61/86/556666186.db2.gz XFRWKHKRXBWILY-UHFFFAOYSA-N 0 0 432.472 5.373 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3nc(N)ncc3Oc3ccc(OC)cc3)c(O)c2)cc1 ZINC000011866310 556666207 /nfs/dbraw/zinc/66/62/07/556666207.db2.gz UQVBXILXGUONEI-UHFFFAOYSA-N 0 0 441.487 5.454 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1OC ZINC000011866291 556666243 /nfs/dbraw/zinc/66/62/43/556666243.db2.gz AGYFVIFOPYXXGZ-UHFFFAOYSA-N 0 0 448.906 5.766 50 0 IKAARN COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1O ZINC000011866350 556666508 /nfs/dbraw/zinc/66/65/08/556666508.db2.gz WGTLSVUYGRRJCP-UHFFFAOYSA-N 0 0 433.895 5.339 50 0 IKAARN Cc1ccc(/C=C/C(=O)NC[C@@]2(C)C[C@@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 ZINC000017102637 556666723 /nfs/dbraw/zinc/66/67/23/556666723.db2.gz FKJSNQKYYVGFEG-MMHWFPHUSA-N 0 0 438.568 5.033 50 0 IKAARN Cc1cccc(-c2nc(CSc3nnc(-c4csc5c4CCCC5)n3C)cs2)c1 ZINC000017102734 556666946 /nfs/dbraw/zinc/66/69/46/556666946.db2.gz ARMRSONORRBCRS-UHFFFAOYSA-N 0 0 438.647 6.147 50 0 IKAARN COC(=O)[C@H](Oc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl)c1ccccc1 ZINC000011866686 556666987 /nfs/dbraw/zinc/66/69/87/556666987.db2.gz WTRZDAIVJOLJNV-XMMPIXPASA-N 0 0 448.902 5.639 50 0 IKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccc(Cl)cc3Cl)n2)c1 ZINC000017103133 556667172 /nfs/dbraw/zinc/66/71/72/556667172.db2.gz FPEUXJJXOVLPGW-UHFFFAOYSA-N 0 0 439.342 6.589 50 0 IKAARN COc1ccccc1-c1nn(-c2ccc(C)c(Cl)c2)c(-c2ccccc2OC)c1Cl ZINC000017103140 556667181 /nfs/dbraw/zinc/66/71/81/556667181.db2.gz GWAOGOCNBFZPBB-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN COc1ccccc1CCNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C ZINC000011867431 556667213 /nfs/dbraw/zinc/66/72/13/556667213.db2.gz BELSYERNTJHAOS-UHFFFAOYSA-N 0 0 447.531 5.055 50 0 IKAARN Fc1ccccc1-c1nnc(Sc2nccc(C(F)(F)F)n2)n1Cc1ccccc1 ZINC000046577107 556667272 /nfs/dbraw/zinc/66/72/72/556667272.db2.gz XDWOYMIGGIPYOJ-UHFFFAOYSA-N 0 0 431.418 5.093 50 0 IKAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCc3ccccc3)c(=O)oc12 ZINC000011867597 556667518 /nfs/dbraw/zinc/66/75/18/556667518.db2.gz JYLPYOMFYQJCPF-UHFFFAOYSA-N 0 0 431.532 5.703 50 0 IKAARN COc1cccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)c1 ZINC000011867547 556667575 /nfs/dbraw/zinc/66/75/75/556667575.db2.gz ZJGJYKIFQIRKFU-UHFFFAOYSA-N 0 0 447.531 5.321 50 0 IKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCCCC1)occ3-c1ccc(Cl)cc1 ZINC000011867598 556667615 /nfs/dbraw/zinc/66/76/15/556667615.db2.gz WPWBCEXJURUYHG-UHFFFAOYSA-N 0 0 435.907 5.723 50 0 IKAARN COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(Cl)c2)cc1 ZINC000017120502 556668362 /nfs/dbraw/zinc/66/83/62/556668362.db2.gz LGCCMUSXRZBWKE-UHFFFAOYSA-N 0 0 439.947 5.214 50 0 IKAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(Cl)ccc2C)c1 ZINC000017121155 556668437 /nfs/dbraw/zinc/66/84/37/556668437.db2.gz WGJCUQKTMWEQMK-UHFFFAOYSA-N 0 0 439.947 5.214 50 0 IKAARN CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccc(OC)cc3)c3ccccc32)cc1 ZINC000017122756 556668554 /nfs/dbraw/zinc/66/85/54/556668554.db2.gz JXGHRFNROGDKPJ-UHFFFAOYSA-N 0 0 426.520 5.531 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(CC3CCCC3)[nH]2)cs1)c1cccc(Cl)c1 ZINC000011885939 556668763 /nfs/dbraw/zinc/66/87/63/556668763.db2.gz OJGFKYOEEGKLSY-UHFFFAOYSA-N 0 0 448.017 5.624 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2C)cc1 ZINC000017138237 556669436 /nfs/dbraw/zinc/66/94/36/556669436.db2.gz WFTCAVCHGVDYOC-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN O=C(CSC(=S)N1CCCCC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000017145456 556669924 /nfs/dbraw/zinc/66/99/24/556669924.db2.gz IEBRIPBPUKUUQZ-UHFFFAOYSA-N 0 0 437.590 5.451 50 0 aggregator IKAARN Cc1cccc(CSCc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000017147539 556670300 /nfs/dbraw/zinc/67/03/00/556670300.db2.gz ZWZJUUBXRRPCQX-UHFFFAOYSA-N 0 0 439.393 6.231 50 0 IKAARN O=[N+]([O-])C(=C(Cl)C(Cl)Cl)C(=Nc1cccc(Br)c1)n1cccn1 ZINC000100788198 556670364 /nfs/dbraw/zinc/67/03/64/556670364.db2.gz DKKRBYSBWWZUHK-ACCUITESSA-N 0 0 438.496 5.046 50 0 IKAARN O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1cc(F)ccc1F ZINC000017156544 556670578 /nfs/dbraw/zinc/67/05/78/556670578.db2.gz TWUIHBDUAKOSTD-UHFFFAOYSA-N 0 0 430.867 5.059 50 0 IKAARN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1OC ZINC000017167216 556671186 /nfs/dbraw/zinc/67/11/86/556671186.db2.gz RHCCCKBUAJNGMP-PXNMLYILSA-N 0 0 442.295 5.386 50 0 IKAARN CCc1c(C)c(C(=O)N2CCN(c3ccccc3C)CC2)n(Cc2ccccc2C)c1C ZINC000044854675 556671344 /nfs/dbraw/zinc/67/13/44/556671344.db2.gz WMARYRCAKNDLQS-UHFFFAOYSA-N 0 0 429.608 5.295 50 0 IKAARN CCCCOc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)cc1 ZINC000044422087 556672214 /nfs/dbraw/zinc/67/22/14/556672214.db2.gz ZIIRLUAHRUVIFR-OAHLLOKOSA-N 0 0 429.879 5.229 50 0 IKAARN COc1ccc(CCn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC ZINC000011916149 556673004 /nfs/dbraw/zinc/67/30/04/556673004.db2.gz OBSWJWZXQYGAEB-UHFFFAOYSA-N 0 0 426.925 5.038 50 0 IKAARN Clc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000017265244 556674132 /nfs/dbraw/zinc/67/41/32/556674132.db2.gz HDRLSWSVJAQBLU-UNMCSNQZSA-N 0 0 439.740 6.345 50 0 IKAARN O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1cc(-c2ccccc2)on1 ZINC000011915832 556674355 /nfs/dbraw/zinc/67/43/55/556674355.db2.gz UVTMXCDTYCEYSO-UHFFFAOYSA-N 0 0 447.516 5.057 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000017281948 556674510 /nfs/dbraw/zinc/67/45/10/556674510.db2.gz GEUGYXBZEIABAQ-IFMALSPDSA-N 0 0 441.275 5.970 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C(F)(F)F)cc3)oc21 ZINC000017299402 556674784 /nfs/dbraw/zinc/67/47/84/556674784.db2.gz FRWQFJKBPFSBNK-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000013522583 556676069 /nfs/dbraw/zinc/67/60/69/556676069.db2.gz YWZHGNCEADQRSG-VWLOTQADSA-N 0 0 439.603 6.653 50 0 IKAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccc(Cl)cc1F ZINC000013522783 556676188 /nfs/dbraw/zinc/67/61/88/556676188.db2.gz KHNHXVGAFZEGMA-UHFFFAOYSA-N 0 0 439.943 5.802 50 0 IKAARN Cc1ccc(NC(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2ccc(C)cc2)cc1 ZINC000017433975 556677424 /nfs/dbraw/zinc/67/74/24/556677424.db2.gz FZJMVCMMNPZEFG-PXLXIMEGSA-N 0 0 449.348 5.476 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)c2cccs2)c1 ZINC000017724603 556678974 /nfs/dbraw/zinc/67/89/74/556678974.db2.gz JYQQAGGPXAPCLP-MHPIHPPYSA-N 0 0 449.572 6.163 50 0 IKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000032936136 556679064 /nfs/dbraw/zinc/67/90/64/556679064.db2.gz UVOITCKJYVJGDD-GOSISDBHSA-N 0 0 425.941 5.335 50 0 IKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)c2cccs2)c1 ZINC000017724601 556679088 /nfs/dbraw/zinc/67/90/88/556679088.db2.gz JYQQAGGPXAPCLP-CEYNDMKZSA-N 0 0 449.572 6.163 50 0 IKAARN COc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1Cl ZINC000033326067 556680694 /nfs/dbraw/zinc/68/06/94/556680694.db2.gz ZBLUOJATVFEZGN-KRWDZBQOSA-N 0 0 443.956 5.041 50 0 IKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]2C1 ZINC000017987156 556680917 /nfs/dbraw/zinc/68/09/17/556680917.db2.gz QTCJFMOFDDJBDD-OAUYIBNBSA-N 0 0 432.303 5.138 50 0 IKAARN C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 ZINC000017987174 556680938 /nfs/dbraw/zinc/68/09/38/556680938.db2.gz RLDHEJRFLYLOHX-AFAVFJNCSA-N 0 0 432.303 5.138 50 0 IKAARN O=C(COc1ccccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1 ZINC000017987313 556680950 /nfs/dbraw/zinc/68/09/50/556680950.db2.gz WJRUKMBVQKDLLX-ZRZAMGCNSA-N 0 0 439.511 5.295 50 0 IKAARN O=C(COc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000017987301 556680965 /nfs/dbraw/zinc/68/09/65/556680965.db2.gz MRTXQWLAWHUFNO-DQEYMECFSA-N 0 0 437.495 5.071 50 0 IKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)oc1ccccc13)C1c3ccccc3C2c2ccccc21 ZINC000018030696 556681941 /nfs/dbraw/zinc/68/19/41/556681941.db2.gz BJEMYNBCKODLSS-SALAOISXSA-N 0 0 441.486 5.983 50 0 IKAARN Cc1cccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)c1 ZINC000033019465 556682057 /nfs/dbraw/zinc/68/20/57/556682057.db2.gz MCPPLAVJOAZISK-XMMPIXPASA-N 0 0 436.964 5.466 50 0 IKAARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000000660709 556682121 /nfs/dbraw/zinc/68/21/21/556682121.db2.gz IHTUZFCPPSZNSR-XDHOZWIPSA-N 0 0 426.944 5.076 50 0 IKAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000018093722 556683843 /nfs/dbraw/zinc/68/38/43/556683843.db2.gz VRGNJIZZWYPPEZ-RUZDIDTESA-N 0 0 441.600 5.687 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2Cl)c1Sc1nc2ccccc2o1 ZINC000018116719 556684064 /nfs/dbraw/zinc/68/40/64/556684064.db2.gz KOARQVAWYARSNF-UHFFFAOYSA-N 0 0 439.323 6.794 50 0 IKAARN CCOc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1OCC ZINC000033019607 556684338 /nfs/dbraw/zinc/68/43/38/556684338.db2.gz WRUZFESVNAMEEJ-UHFFFAOYSA-N 0 0 429.520 5.398 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2ncnc3sc4c(c32)CCC4)c2ccccc2)cc1 ZINC000013526789 556684603 /nfs/dbraw/zinc/68/46/03/556684603.db2.gz TYTNCAXQRPJHPT-NRFANRHFSA-N 0 0 431.586 5.961 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000033020180 556685041 /nfs/dbraw/zinc/68/50/41/556685041.db2.gz GHPHYASZYBKWBL-UHFFFAOYSA-N 0 0 437.565 5.395 50 0 IKAARN O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)c1cc2ccccc2oc1=O ZINC000033020217 556685117 /nfs/dbraw/zinc/68/51/17/556685117.db2.gz WRFGLADLAHYJPC-UHFFFAOYSA-N 0 0 447.516 5.174 50 0 IKAARN C[C@@H]1CCCCN1C(=S)Sc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000018180266 556685823 /nfs/dbraw/zinc/68/58/23/556685823.db2.gz PPLZYILUNULTLE-CQSZACIVSA-N 0 0 429.010 6.100 50 0 IKAARN O=C1/C(=C/c2ccc(Br)s2)CCC/C1=C/c1ccc(Br)s1 ZINC000002110983 556686059 /nfs/dbraw/zinc/68/60/59/556686059.db2.gz TVEAESGOBIRZPF-PNQPDEHRSA-N 0 0 444.213 6.555 50 0 IKAARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000002051963 556686126 /nfs/dbraw/zinc/68/61/26/556686126.db2.gz OCAIBBVBNONNEU-ZOMGDLOTSA-N 0 0 427.718 7.871 50 0 IKAARN N#CC1=C(N)OC2=C(CCC/C2=C/c2c(F)cccc2Cl)[C@H]1c1c(F)cccc1Cl ZINC000002111572 556686175 /nfs/dbraw/zinc/68/61/75/556686175.db2.gz AGCYINWGHUZKCZ-QXHGNLAOSA-N 0 0 445.296 6.601 50 0 IKAARN c1ccc(-c2c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000045329196 556686382 /nfs/dbraw/zinc/68/63/82/556686382.db2.gz UCTTYTFENYGAPP-UHFFFAOYSA-N 0 0 432.566 9.508 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(CSCc4ccccc4Cl)o3)n2)cc1OC ZINC000033021818 556686542 /nfs/dbraw/zinc/68/65/42/556686542.db2.gz TYPUPNLJTNVQBV-UHFFFAOYSA-N 0 0 442.924 6.101 50 0 IKAARN CSc1ccc(-c2noc(-c3ccc(CSCc4ccccc4Cl)o3)n2)cc1 ZINC000033021841 556686544 /nfs/dbraw/zinc/68/65/44/556686544.db2.gz BXJQCPLIBTVNMO-UHFFFAOYSA-N 0 0 428.966 6.805 50 0 IKAARN CC(C)Cc1ccc(-c2ccc(SCc3nc(-c4ccccc4Cl)no3)nn2)cc1 ZINC000033022195 556686813 /nfs/dbraw/zinc/68/68/13/556686813.db2.gz SECLOUGKQOGTRH-UHFFFAOYSA-N 0 0 436.968 6.338 50 0 IKAARN Fc1ccccc1-c1ccc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1 ZINC000033022152 556686887 /nfs/dbraw/zinc/68/68/87/556686887.db2.gz FFPGODCGUTWZCZ-UHFFFAOYSA-N 0 0 448.401 5.524 50 0 IKAARN COc1cccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)c1 ZINC000033022014 556687055 /nfs/dbraw/zinc/68/70/55/556687055.db2.gz VEWIYLSUPUSZAI-UHFFFAOYSA-N 0 0 444.438 5.513 50 0 IKAARN Cc1noc(-c2ccc(C(=O)N3CC[C@@H](C)Sc4ccc(C(F)(F)F)cc43)cc2)n1 ZINC000071943117 556687595 /nfs/dbraw/zinc/68/75/95/556687595.db2.gz NNXSFHVOSDEGQY-GFCCVEGCSA-N 0 0 433.455 5.595 50 0 IKAARN O=c1cc(C(F)(F)F)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)[nH]1 ZINC000018227477 556687719 /nfs/dbraw/zinc/68/77/19/556687719.db2.gz ZJNXEXXWTWKTBE-UHFFFAOYSA-N 0 0 449.841 5.514 50 0 IKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)cc1 ZINC000018244593 556687910 /nfs/dbraw/zinc/68/79/10/556687910.db2.gz LDFZKOYCRHBCOW-ZQMYSKGWSA-N 0 0 433.548 5.519 50 0 IKAARN Cc1ccc(C(=O)N[C@@H](Nc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000002672797 556688120 /nfs/dbraw/zinc/68/81/20/556688120.db2.gz JVZJLYDDXNOJFE-OAHLLOKOSA-N 0 0 426.558 5.840 50 0 IKAARN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)c2ncccc12 ZINC000072313057 556688134 /nfs/dbraw/zinc/68/81/34/556688134.db2.gz ARIJWHXKFDLHEM-VWLOTQADSA-N 0 0 431.561 5.047 50 0 IKAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)N[C@@H](c3cccs3)C(C)C)c2)s1 ZINC000033022906 556688156 /nfs/dbraw/zinc/68/81/56/556688156.db2.gz FMKCNCZCGNMWBO-LJQANCHMSA-N 0 0 442.610 5.178 50 0 IKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1)Nc1ccccc1 ZINC000097656536 556688541 /nfs/dbraw/zinc/68/85/41/556688541.db2.gz VQPXBCOGCVBFIY-UZYVYHOESA-N 0 0 448.522 5.907 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000046005979 556690058 /nfs/dbraw/zinc/69/00/58/556690058.db2.gz ZTICRHCXLIYTOJ-UHFFFAOYSA-N 0 0 446.595 5.375 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)cc1C ZINC000046006030 556690073 /nfs/dbraw/zinc/69/00/73/556690073.db2.gz YGXSQUHNSQHETF-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)c(F)c1 ZINC000046005974 556690082 /nfs/dbraw/zinc/69/00/82/556690082.db2.gz RKRZWIJXZFWHHH-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1OC ZINC000046006020 556690095 /nfs/dbraw/zinc/69/00/95/556690095.db2.gz GNXCPPLYUDCXCG-UHFFFAOYSA-N 0 0 444.535 5.016 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccccc1C ZINC000046006325 556690380 /nfs/dbraw/zinc/69/03/80/556690380.db2.gz WCGBBPCGHNNYOF-UHFFFAOYSA-N 0 0 446.526 5.455 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1cccc(F)c1 ZINC000046006392 556690384 /nfs/dbraw/zinc/69/03/84/556690384.db2.gz UHEPXXMQYOMSAV-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)Nc1ccccc1 ZINC000046006192 556690425 /nfs/dbraw/zinc/69/04/25/556690425.db2.gz TVELSPGCUYBYEX-UHFFFAOYSA-N 0 0 428.536 5.316 50 0 IKAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1F ZINC000046006390 556690455 /nfs/dbraw/zinc/69/04/55/556690455.db2.gz YCJIHZIZFPBPQD-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN C/N=C1\S/C(=C/c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C ZINC000001014925 556690543 /nfs/dbraw/zinc/69/05/43/556690543.db2.gz BFYQUYGGYFENII-BOSNEQTGSA-N 0 0 447.604 5.684 50 0 IKAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1cccc(C)c1 ZINC000046009173 556690873 /nfs/dbraw/zinc/69/08/73/556690873.db2.gz NPIVWHVGWSJCIR-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000001153064 556691133 /nfs/dbraw/zinc/69/11/33/556691133.db2.gz GQTWKJQJEDHWNW-SFQUDFHCSA-N 0 0 427.338 5.203 50 0 IKAARN Cc1ccc(C(=O)c2cn(Cc3c(F)cccc3Cl)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053809 556691469 /nfs/dbraw/zinc/69/14/69/556691469.db2.gz WXPSHKBENOEXOM-UHFFFAOYSA-N 0 0 434.898 5.394 50 0 IKAARN CCNc1c2ccccc2oc(=O)c1NC(=O)c1ccc2noc(-c3ccc(C)cc3)c2c1 ZINC000046141078 556692487 /nfs/dbraw/zinc/69/24/87/556692487.db2.gz OWNMVBJERBKZSU-UHFFFAOYSA-N 0 0 439.471 5.594 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCCC1)c1ccccc1C(F)(F)F ZINC000046141116 556692497 /nfs/dbraw/zinc/69/24/97/556692497.db2.gz FTDWQOUXRCWIKN-UHFFFAOYSA-N 0 0 430.426 5.809 50 0 IKAARN CNc1c2ccccc2oc(=O)c1NC(=O)c1ccc2noc(-c3ccc(C)cc3)c2c1 ZINC000046141085 556692517 /nfs/dbraw/zinc/69/25/17/556692517.db2.gz DWOMWIXTWDNOPT-UHFFFAOYSA-N 0 0 425.444 5.204 50 0 IKAARN CCNc1c2ccccc2oc(=O)c1NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000046141079 556692520 /nfs/dbraw/zinc/69/25/20/556692520.db2.gz IKVGGZLIENEOTG-UHFFFAOYSA-N 0 0 443.434 5.424 50 0 IKAARN CCCCN(CC)S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)sc1C ZINC000046141454 556692964 /nfs/dbraw/zinc/69/29/64/556692964.db2.gz VUSAOCZJAIVOKM-UHFFFAOYSA-N 0 0 439.990 5.238 50 0 IKAARN C[C@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000072313256 556693315 /nfs/dbraw/zinc/69/33/15/556693315.db2.gz WLIZSTYYNFWUQP-LJQANCHMSA-N 0 0 439.987 5.362 50 0 IKAARN CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)c2ccccc12 ZINC000013550016 556696762 /nfs/dbraw/zinc/69/67/62/556696762.db2.gz PVINCJMVXRVUTI-CLCOLTQESA-N 0 0 428.532 5.022 50 0 IKAARN Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c(C)c1 ZINC000024249887 556696910 /nfs/dbraw/zinc/69/69/10/556696910.db2.gz UHWHYRVYIXKDAA-UHFFFAOYSA-N 0 0 427.348 5.779 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1Cl ZINC000033025164 556698420 /nfs/dbraw/zinc/69/84/20/556698420.db2.gz XJXHNYWCLQQTSG-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025157 556698432 /nfs/dbraw/zinc/69/84/32/556698432.db2.gz DUVHPZATDJYJEW-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN COc1cccc([C@H](C)NC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)c1 ZINC000033025117 556698475 /nfs/dbraw/zinc/69/84/75/556698475.db2.gz IRXBWWREWMHMBU-IBGZPJMESA-N 0 0 438.531 5.695 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137863160 556698846 /nfs/dbraw/zinc/69/88/46/556698846.db2.gz GCKILJIWMZTSLR-PWRODBHTSA-N 0 0 439.298 5.045 50 0 IKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025354 556699329 /nfs/dbraw/zinc/69/93/29/556699329.db2.gz FPNKFFOMSQYCFJ-GOSISDBHSA-N 0 0 426.495 5.826 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025319 556699364 /nfs/dbraw/zinc/69/93/64/556699364.db2.gz MGDLHFCWFAWOIF-UHFFFAOYSA-N 0 0 442.450 5.050 50 0 IKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)n2)cc1 ZINC000033025239 556699368 /nfs/dbraw/zinc/69/93/68/556699368.db2.gz QNHKEPNIYGSNDU-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025202 556699384 /nfs/dbraw/zinc/69/93/84/556699384.db2.gz ILTKNACEHVSIMP-UHFFFAOYSA-N 0 0 426.495 5.389 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025333 556699421 /nfs/dbraw/zinc/69/94/21/556699421.db2.gz DFULPBWZLNNGPO-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N\c1ccccc1 ZINC000013581869 556699564 /nfs/dbraw/zinc/69/95/64/556699564.db2.gz OTNFJYGGDGWCRV-IZHYLOQSSA-N 0 0 433.602 6.481 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)cc1 ZINC000048513644 556700268 /nfs/dbraw/zinc/70/02/68/556700268.db2.gz AZABRHQCUMFDBP-UHFFFAOYSA-N 0 0 427.835 5.448 50 0 IKAARN O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1ccc(Br)cc1 ZINC000013590701 556701132 /nfs/dbraw/zinc/70/11/32/556701132.db2.gz PVNQGPIZASRKOU-UHFFFAOYSA-N 0 0 436.349 5.718 50 0 IKAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)c1ccccc1 ZINC000013591323 556701153 /nfs/dbraw/zinc/70/11/53/556701153.db2.gz GTNLCMPDTPMAER-DOUMQJFESA-N 0 0 432.475 5.615 50 0 IKAARN O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000033025726 556701379 /nfs/dbraw/zinc/70/13/79/556701379.db2.gz YDUDKRTWZNDGFN-UHFFFAOYSA-N 0 0 430.573 6.683 50 0 IKAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025786 556701680 /nfs/dbraw/zinc/70/16/80/556701680.db2.gz WONQDUHWVTZUFN-UHFFFAOYSA-N 0 0 438.980 6.488 50 0 IKAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025839 556701690 /nfs/dbraw/zinc/70/16/90/556701690.db2.gz BFVMJBNBKYJGIK-UHFFFAOYSA-N 0 0 437.496 5.123 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033026447 556703224 /nfs/dbraw/zinc/70/32/24/556703224.db2.gz UVGBEDZXYCFGJV-UHFFFAOYSA-N 0 0 430.533 5.248 50 0 IKAARN Cc1cccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000033026497 556703528 /nfs/dbraw/zinc/70/35/28/556703528.db2.gz CXPYSMFVFMAYFD-UHFFFAOYSA-N 0 0 430.533 5.248 50 0 IKAARN Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3ccccc3F)cc(=O)n2c1 ZINC000033026525 556703533 /nfs/dbraw/zinc/70/35/33/556703533.db2.gz WPDMWBGJIDMZCH-UHFFFAOYSA-N 0 0 434.496 5.078 50 0 IKAARN Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3cccc(C)c3C)cc(=O)n2c1 ZINC000033026459 556703574 /nfs/dbraw/zinc/70/35/74/556703574.db2.gz OGBNWFGVQDDIKE-UHFFFAOYSA-N 0 0 444.560 5.556 50 0 IKAARN CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)nc2)CC1 ZINC000004608239 556703756 /nfs/dbraw/zinc/70/37/56/556703756.db2.gz KGVSRJTXJRQFBV-UHFFFAOYSA-N 0 0 431.708 9.677 50 0 IKAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CCCC2)C(C)C)s1 ZINC000004608146 556703894 /nfs/dbraw/zinc/70/38/94/556703894.db2.gz AJQRWKOETVAYCM-UHFFFAOYSA-N 0 0 430.589 5.152 50 0 IKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2-c2cc(=O)oc3cc4c(cc32)CCC4)cc1 ZINC000013625248 556704464 /nfs/dbraw/zinc/70/44/64/556704464.db2.gz VLAANOOQFKOEAX-UHFFFAOYSA-N 0 0 435.479 6.256 50 0 IKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC([C@@H](O)c2ccccn2)CC1 ZINC000019147424 556707031 /nfs/dbraw/zinc/70/70/31/556707031.db2.gz NWRTZBYKDZKCLG-OAQYLSRUSA-N 0 0 431.458 5.009 50 0 IKAARN CC1(C)c2cc(I)ccc2-c2ccc(I)cc21 ZINC000049588438 556707214 /nfs/dbraw/zinc/70/72/14/556707214.db2.gz GYOWFFGLGGCYSQ-UHFFFAOYSA-N 0 0 446.069 5.202 50 0 IKAARN Cc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000033027775 556708143 /nfs/dbraw/zinc/70/81/43/556708143.db2.gz JHLRXRFOPZAKAM-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)Nc3cccc(C(C)=O)c3)cc1)c2=O ZINC000013689932 556711348 /nfs/dbraw/zinc/71/13/48/556711348.db2.gz ZCCXYGZXDUHSBP-UHFFFAOYSA-N 0 0 443.455 5.357 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCCC4=CCCCC4)c3)C2)cc1 ZINC000033034740 556717059 /nfs/dbraw/zinc/71/70/59/556717059.db2.gz RJHYQXBWUDVVMY-VWLOTQADSA-N 0 0 446.591 5.335 50 0 biogenic IKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)CCc4cc(Cl)no4)cc3c2C)cc1 ZINC000013722489 556717474 /nfs/dbraw/zinc/71/74/74/556717474.db2.gz USCYZVFMICSNLT-UHFFFAOYSA-N 0 0 438.867 5.194 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2cccc(C(=O)N3CCCCCC3)c2)C1 ZINC000033035328 556717790 /nfs/dbraw/zinc/71/77/90/556717790.db2.gz ZBPAWVLMFWPDMQ-NRFANRHFSA-N 0 0 439.987 5.768 50 0 IKAARN Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)cc1 ZINC000033035434 556717813 /nfs/dbraw/zinc/71/78/13/556717813.db2.gz YOUFRAYMRZAEBS-OAQYLSRUSA-N 0 0 447.966 6.312 50 0 IKAARN O=C(NCc1ccccc1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035042 556717983 /nfs/dbraw/zinc/71/79/83/556717983.db2.gz BUILMBTXWLRGFR-QFIPXVFZSA-N 0 0 447.966 5.682 50 0 IKAARN CCc1ccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c2)cc1 ZINC000033034982 556718063 /nfs/dbraw/zinc/71/80/63/556718063.db2.gz KMMJZFBXHUNWSD-HHHXNRCGSA-N 0 0 440.587 5.507 50 0 IKAARN CCc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)cc1 ZINC000033035863 556718612 /nfs/dbraw/zinc/71/86/12/556718612.db2.gz RORPSVQFHJNVOT-VWLOTQADSA-N 0 0 441.575 5.591 50 0 IKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1)c1ccco1 ZINC000033036062 556718660 /nfs/dbraw/zinc/71/86/60/556718660.db2.gz OCCSUIWPDSSAKI-UHFFFAOYSA-N 0 0 428.876 5.115 50 0 IKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)c2cccc(C)c2)cc1 ZINC000033036211 556718997 /nfs/dbraw/zinc/71/89/97/556718997.db2.gz HVXHMYVVTYJKGQ-UHFFFAOYSA-N 0 0 448.979 6.000 50 0 IKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)Cc2ccccc2)cc1 ZINC000033036209 556719015 /nfs/dbraw/zinc/71/90/15/556719015.db2.gz OKHPVPQSUOJHHQ-UHFFFAOYSA-N 0 0 448.979 5.621 50 0 IKAARN Cc1c2cc(NC(=O)c3ccc(Cl)nc3Cl)ccc2oc1C(=O)c1ccccc1 ZINC000013723691 556719017 /nfs/dbraw/zinc/71/90/17/556719017.db2.gz MIBMFGPACNGDLM-UHFFFAOYSA-N 0 0 425.271 5.926 50 0 IKAARN COc1ccc2[nH]c(Sc3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)nc2c1 ZINC000008695025 556719175 /nfs/dbraw/zinc/71/91/75/556719175.db2.gz QSOHSTJPIHRANR-UHFFFAOYSA-N 0 0 433.920 5.885 50 0 IKAARN Cc1ccc(-c2cccc3c(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc(C)nc23)cc1 ZINC000033036895 556719882 /nfs/dbraw/zinc/71/98/82/556719882.db2.gz WZTPPAACPMXQNR-UHFFFAOYSA-N 0 0 449.598 6.098 50 0 IKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N(C)Cc2ccccc2)cc1 ZINC000033037014 556720268 /nfs/dbraw/zinc/72/02/68/556720268.db2.gz ZFWOZOZYEZPFIQ-UHFFFAOYSA-N 0 0 438.531 5.078 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)cc1 ZINC000000850561 556722000 /nfs/dbraw/zinc/72/20/00/556722000.db2.gz MWWURPXJSCEFFA-UHFFFAOYSA-N 0 0 436.511 6.600 50 0 IKAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000033037287 556722824 /nfs/dbraw/zinc/72/28/24/556722824.db2.gz OCKONBFZTXHASO-UHFFFAOYSA-N 0 0 434.515 5.008 50 0 IKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000005191144 556723443 /nfs/dbraw/zinc/72/34/43/556723443.db2.gz NYTOWBVYBOYXAB-XHPQRKPJSA-N 0 0 426.560 6.056 50 0 IKAARN COc1ccc(CN(CC[C@H]2CC(C)(C)OC[C@@H]2c2ccccc2)C(C)=O)cc1OC ZINC000004616541 556723942 /nfs/dbraw/zinc/72/39/42/556723942.db2.gz KWLNJGMDUQTJML-XZOQPEGZSA-N 0 0 425.569 5.041 50 0 IKAARN CSCC[C@@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000033916947 556724364 /nfs/dbraw/zinc/72/43/64/556724364.db2.gz PNHJBKYKRCQHBJ-NSNCMOJPSA-N 0 0 441.600 5.708 50 0 IKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cccc(Br)c1 ZINC000072328533 556725862 /nfs/dbraw/zinc/72/58/62/556725862.db2.gz DZUHSWHROVARTB-UHFFFAOYSA-N 0 0 446.776 5.745 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCSCC1 ZINC000072328510 556725965 /nfs/dbraw/zinc/72/59/65/556725965.db2.gz GHJHXFJQJUCWLU-UHFFFAOYSA-N 0 0 449.473 5.194 50 0 IKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2CCc1ccccc1 ZINC000072328612 556726074 /nfs/dbraw/zinc/72/60/74/556726074.db2.gz FXKOFLIODLBVIS-UHFFFAOYSA-N 0 0 431.898 5.435 50 0 IKAARN COc1cccc(CC[C@]2(O)CCC[C@@H]3[C@H]2CCC[C@@]3(O)CCc2cccc(OC)c2)c1 ZINC000001319124 556726823 /nfs/dbraw/zinc/72/68/23/556726823.db2.gz IPWGEHIMZTUZSY-BIYDSLDMSA-N 0 0 438.608 5.332 50 0 IKAARN CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)ccn3n2)cc1Cl ZINC000072329628 556727376 /nfs/dbraw/zinc/72/73/76/556727376.db2.gz ZHNMUMQESFGEJN-UHFFFAOYSA-N 0 0 447.844 5.282 50 0 IKAARN COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(SC)cc3)nc21 ZINC000011143906 556728661 /nfs/dbraw/zinc/72/86/61/556728661.db2.gz RYVNREJTXBLHLW-INIZCTEOSA-N 0 0 428.579 5.161 50 0 IKAARN Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3Br)nc21 ZINC000011142973 556728888 /nfs/dbraw/zinc/72/88/88/556728888.db2.gz MRVAGHPBKUPJKY-HNNXBMFYSA-N 0 0 445.382 5.501 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000101191845 556730635 /nfs/dbraw/zinc/73/06/35/556730635.db2.gz CGGJPQBOGMMGRQ-KZVDOYCCSA-N 0 0 446.926 5.661 50 0 IKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Br)c(C)c3)c2c1 ZINC000072331986 556731049 /nfs/dbraw/zinc/73/10/49/556731049.db2.gz IDVTYCVGQHYVEJ-UHFFFAOYSA-N 0 0 441.354 5.221 50 0 IKAARN O=c1/c(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)sc2nc3ccccc3n12 ZINC000033921286 556731419 /nfs/dbraw/zinc/73/14/19/556731419.db2.gz UYTHZNOJKFMMRH-XYGWBWBKSA-N 0 0 434.520 5.189 50 0 IKAARN Cc1nn2c(ncc(C(=O)NCc3ccc(C)cc3)c2C(F)(F)F)c1-c1cccc(C)c1 ZINC000033039922 556731519 /nfs/dbraw/zinc/73/15/19/556731519.db2.gz NJNOAFXOWFRZNH-UHFFFAOYSA-N 0 0 438.453 5.270 50 0 IKAARN Cc1csc2nc(CNc3ccc(Oc4ccc(Br)cc4)cc3)cc(=O)n12 ZINC000033040271 556731969 /nfs/dbraw/zinc/73/19/69/556731969.db2.gz HACGTHQCGXFSLE-UHFFFAOYSA-N 0 0 442.338 5.231 50 0 IKAARN COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)c1 ZINC000033040753 556732327 /nfs/dbraw/zinc/73/23/27/556732327.db2.gz XBPPWLXCDCPWAR-HSZRJFAPSA-N 0 0 435.593 5.449 50 0 IKAARN Cc1ccc(N2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)[C@H](C)C2)cc1 ZINC000055042659 556732700 /nfs/dbraw/zinc/73/27/00/556732700.db2.gz IDFNGHDVQTTWET-JOCHJYFZSA-N 0 0 438.575 5.269 50 0 IKAARN COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000033924559 556732889 /nfs/dbraw/zinc/73/28/89/556732889.db2.gz XSTGOLXPXOQCTD-TWGQIWQCSA-N 0 0 432.328 6.212 50 0 IKAARN COc1ccc(-c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000170623685 556732927 /nfs/dbraw/zinc/73/29/27/556732927.db2.gz WERFLEPHOZYBCL-UHFFFAOYSA-N 0 0 426.950 6.453 50 0 IKAARN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C\c3ccc(C)cc3)c3ccccc32)cc1 ZINC000033924691 556732952 /nfs/dbraw/zinc/73/29/52/556732952.db2.gz SDNFSTWELAKVMF-WQIJTYIXSA-N 0 0 425.572 6.538 50 0 IKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC000033926838 556733448 /nfs/dbraw/zinc/73/34/48/556733448.db2.gz VAWZYEBCDGJDBN-WNFSUEGQSA-N 0 0 445.990 6.883 50 0 IKAARN Clc1ccc2c(c1)nccc2SCc1csc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000055104344 556734910 /nfs/dbraw/zinc/73/49/10/556734910.db2.gz RSISEYUAVJCALR-UHFFFAOYSA-N 0 0 427.038 7.105 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(Cl)ccc1C)CCCC3 ZINC000033042876 556735895 /nfs/dbraw/zinc/73/58/95/556735895.db2.gz XJFHDAXVRCLWHL-HXUWFJFHSA-N 0 0 440.012 6.878 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)cc1F ZINC000033042824 556735989 /nfs/dbraw/zinc/73/59/89/556735989.db2.gz ZIBZWGFKHYJZJZ-HSZRJFAPSA-N 0 0 437.584 6.610 50 0 IKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccc(Cl)c2)cc1 ZINC000019322722 556736179 /nfs/dbraw/zinc/73/61/79/556736179.db2.gz OKOFJIPVZHZMNP-UHFFFAOYSA-N 0 0 436.983 5.764 50 0 IKAARN COc1c(Cl)cc(Cl)cc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019322472 556736296 /nfs/dbraw/zinc/73/62/96/556736296.db2.gz JLBQZCYZKURYCT-UHFFFAOYSA-N 0 0 427.375 6.019 50 0 IKAARN Cc1cccc(C)c1-n1nnnc1[C@@H](NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000071405256 556737867 /nfs/dbraw/zinc/73/78/67/556737867.db2.gz MTODPSRLZOQMPW-IBGZPJMESA-N 0 0 428.323 5.058 50 0 IKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1C(F)(F)F)CCCC3 ZINC000033043003 556737984 /nfs/dbraw/zinc/73/79/84/556737984.db2.gz OILDLUPXVOCKQU-AWEZNQCLSA-N 0 0 445.510 6.545 50 0 IKAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)NC4CCCCCC4)CC3)c12 ZINC000065301554 556738262 /nfs/dbraw/zinc/73/82/62/556738262.db2.gz WIEFNOBRNPZUPA-UHFFFAOYSA-N 0 0 426.630 5.323 50 0 IKAARN COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000033043041 556739232 /nfs/dbraw/zinc/73/92/32/556739232.db2.gz PBRSTGHPECXIPU-HNNXBMFYSA-N 0 0 435.549 5.313 50 0 IKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000013799219 556741505 /nfs/dbraw/zinc/74/15/05/556741505.db2.gz OXRDWATYMRNBEQ-RGFKIIKPSA-N 0 0 440.897 5.600 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c(C)c1 ZINC000055537535 556741971 /nfs/dbraw/zinc/74/19/71/556741971.db2.gz VZNBGPVWSFFBMO-UHFFFAOYSA-N 0 0 433.983 5.531 50 0 IKAARN CCOc1cc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3)c2)ccc1O ZINC000013811647 556743805 /nfs/dbraw/zinc/74/38/05/556743805.db2.gz BOKCOYDTBQMIIU-BYNJWEBRSA-N 0 0 443.543 6.760 50 0 IKAARN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000033048520 556745196 /nfs/dbraw/zinc/74/51/96/556745196.db2.gz ABNBGULYCNVACT-UHFFFAOYSA-N 0 0 434.439 5.514 50 0 IKAARN Cc1cc(CNC(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)on1 ZINC000061771528 556745592 /nfs/dbraw/zinc/74/55/92/556745592.db2.gz YXELXRFAAPVZBG-UHFFFAOYSA-N 0 0 445.248 5.015 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCc3cccc(Cl)c3)cc1CC2 ZINC000033049012 556745850 /nfs/dbraw/zinc/74/58/50/556745850.db2.gz SBDMQBJMSLLWTD-UHFFFAOYSA-N 0 0 433.964 5.591 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N[C@H](C)CCc3ccccc3)cc1CC2 ZINC000033049009 556745855 /nfs/dbraw/zinc/74/58/55/556745855.db2.gz SHRNDPTVGAXPHI-GOSISDBHSA-N 0 0 441.600 5.759 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000005235762 556746617 /nfs/dbraw/zinc/74/66/17/556746617.db2.gz ZOUBCABTDWMUAG-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN COc1ccc([C@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C(C)C)cc1OC ZINC000604418808 556746703 /nfs/dbraw/zinc/74/67/03/556746703.db2.gz FIEISPJWWPEVGB-PGRDOPGGSA-N 0 0 439.581 5.557 50 0 IKAARN COc1ccc([C@@H](NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C(C)C)cc1OC ZINC000604419631 556746832 /nfs/dbraw/zinc/74/68/32/556746832.db2.gz JZBSBBFIKLKDNY-VWLOTQADSA-N 0 0 433.552 5.381 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1OC ZINC000000666705 556748214 /nfs/dbraw/zinc/74/82/14/556748214.db2.gz TZHLFEBZXPSSFK-UHFFFAOYSA-N 0 0 443.286 6.071 50 0 biogenic,in-vitro IKAARN CCC[C@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000060367801 556748411 /nfs/dbraw/zinc/74/84/11/556748411.db2.gz PZLRSWHQYZYOJJ-INIZCTEOSA-N 0 0 448.894 5.002 50 0 IKAARN CC1=Nc2ncnn2[C@H](c2cccc(Cl)c2)C1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000072333080 556749723 /nfs/dbraw/zinc/74/97/23/556749723.db2.gz KJUBZHQUJNPING-HCKZWYBISA-N 0 0 428.964 5.224 50 0 IKAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000057987210 556750340 /nfs/dbraw/zinc/75/03/40/556750340.db2.gz FOMCJCKBNXPKDM-URXFXBBRSA-N 0 0 446.620 5.244 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)cc1Cl ZINC000057986315 556750423 /nfs/dbraw/zinc/75/04/23/556750423.db2.gz MCFDKXHTCCALCZ-UHFFFAOYSA-N 0 0 441.734 5.697 50 0 IKAARN COc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000072332593 556750586 /nfs/dbraw/zinc/75/05/86/556750586.db2.gz BMTFTLPUQWJZKN-NZQKXSOJSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12 ZINC000057991516 556750964 /nfs/dbraw/zinc/75/09/64/556750964.db2.gz YERPBAYZZQOBGD-UHFFFAOYSA-N 0 0 433.943 5.296 50 0 IKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332719 556751203 /nfs/dbraw/zinc/75/12/03/556751203.db2.gz NTKFCLFBHJMUJL-VWLOTQADSA-N 0 0 436.515 5.356 50 0 IKAARN COc1ccc(CCN(C)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1OC ZINC000058010620 556753162 /nfs/dbraw/zinc/75/31/62/556753162.db2.gz HHKOZMZTRNTEKU-RBUKOAKNSA-N 0 0 436.577 5.064 50 0 IKAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000058009844 556753236 /nfs/dbraw/zinc/75/32/36/556753236.db2.gz ZJGAUEVFZTVEGH-UHFFFAOYSA-N 0 0 436.122 5.129 50 0 IKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(C3CC3)[C@H]3CCc4ccccc43)c2)cs1 ZINC000058014423 556753791 /nfs/dbraw/zinc/75/37/91/556753791.db2.gz ZRZSNTSOQQOCDM-SXAZAVRTSA-N 0 0 430.573 5.722 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(N(C(=O)CCc2ccc(F)cc2)c2ccccc2)CC1 ZINC000058015431 556753975 /nfs/dbraw/zinc/75/39/75/556753975.db2.gz PBIJVJYWQLRIGX-UHFFFAOYSA-N 0 0 426.532 5.191 50 0 IKAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000011152395 556755075 /nfs/dbraw/zinc/75/50/75/556755075.db2.gz RQYOVNXXDZUGDP-UHFFFAOYSA-N 0 0 438.597 5.573 50 0 IKAARN O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000058109433 556758820 /nfs/dbraw/zinc/75/88/20/556758820.db2.gz RGUAOIHGVHZBCE-JOCHJYFZSA-N 0 0 428.561 5.037 50 0 IKAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000002100083 556759178 /nfs/dbraw/zinc/75/91/78/556759178.db2.gz NWNQOAZCDWMOGB-VFIQNOQPSA-N 0 0 435.564 5.002 50 0 biogenic,in-vitro IKAARN Cc1c2cc3c(cc2oc(=O)c1Cc1ccccc1)occ3-c1ccc(Br)cc1 ZINC000002115153 556759249 /nfs/dbraw/zinc/75/92/49/556759249.db2.gz VPSCLNILVNNWPG-UHFFFAOYSA-N 0 0 445.312 6.868 50 0 biogenic IKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000058130149 556759955 /nfs/dbraw/zinc/75/99/55/556759955.db2.gz NPOPBFXSFXZAIP-UHFFFAOYSA-N 0 0 433.895 5.462 50 0 IKAARN O=C(NCCc1cccc2cccnc21)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000058128761 556759970 /nfs/dbraw/zinc/75/99/70/556759970.db2.gz VNJFUMKPGKRXLD-UHFFFAOYSA-N 0 0 425.492 5.243 50 0 IKAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)C(C)(C)C)cc2c1 ZINC000058133947 556760566 /nfs/dbraw/zinc/76/05/66/556760566.db2.gz CBRSFZFOUSUIDN-QHCPKHFHSA-N 0 0 449.982 6.319 50 0 IKAARN COc1cccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)c1 ZINC000002440396 556761017 /nfs/dbraw/zinc/76/10/17/556761017.db2.gz KPTGDZMZMVYONA-UHFFFAOYSA-N 0 0 445.906 5.122 50 0 IKAARN CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1F ZINC000002380208 556761107 /nfs/dbraw/zinc/76/11/07/556761107.db2.gz QRAKUKZKAKDXCX-HLADLETHSA-N 0 0 426.472 6.031 50 0 IKAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc4[nH]c(C5CCC5)nc4c3)c12 ZINC000058139921 556761033 /nfs/dbraw/zinc/76/10/33/556761033.db2.gz BGIUJKLWWKLMSI-UHFFFAOYSA-N 0 0 436.519 5.340 50 0 IKAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n21)CCCC3 ZINC000002351149 556761160 /nfs/dbraw/zinc/76/11/60/556761160.db2.gz SAULIXPIACCAFT-UHFFFAOYSA-N 0 0 442.997 5.409 50 0 IKAARN CCN1c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)c3cccc(c23)C1=O ZINC000001061157 556762869 /nfs/dbraw/zinc/76/28/69/556762869.db2.gz JDMHXIHOWQPAPD-UHFFFAOYSA-N 0 0 443.506 6.287 50 0 IKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)OCC(C)C)c3)no2)cc1 ZINC000061997108 556763488 /nfs/dbraw/zinc/76/34/88/556763488.db2.gz PTKYTNLGFUNHIU-UHFFFAOYSA-N 0 0 436.508 5.586 50 0 IKAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000058160428 556764338 /nfs/dbraw/zinc/76/43/38/556764338.db2.gz ASIJORRVWBKIIA-VWLOTQADSA-N 0 0 427.548 5.026 50 0 IKAARN C[C@H](CCC(=O)N1CCCC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000062001352 556764461 /nfs/dbraw/zinc/76/44/61/556764461.db2.gz JWFCDGLPKVNFEN-QUKDRKDGSA-N 0 0 445.688 5.016 50 0 biogenic IKAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058164487 556766487 /nfs/dbraw/zinc/76/64/87/556766487.db2.gz KDHVDEPHRNYAJC-DEOSSOPVSA-N 0 0 445.563 5.995 50 0 IKAARN C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 ZINC000058166337 556766561 /nfs/dbraw/zinc/76/65/61/556766561.db2.gz DUKINSFSYPYOFP-IIBYNOLFSA-N 0 0 433.508 5.587 50 0 IKAARN C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 ZINC000058166336 556766567 /nfs/dbraw/zinc/76/65/67/556766567.db2.gz DUKINSFSYPYOFP-HRAATJIYSA-N 0 0 433.508 5.587 50 0 IKAARN C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 ZINC000058166339 556766571 /nfs/dbraw/zinc/76/65/71/556766571.db2.gz DUKINSFSYPYOFP-KKSFZXQISA-N 0 0 433.508 5.587 50 0 IKAARN CC(C)[C@H](NC(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(F)cc1 ZINC000058172375 556768609 /nfs/dbraw/zinc/76/86/09/556768609.db2.gz DAOYOJBNQHCLHK-DEOSSOPVSA-N 0 0 435.543 5.206 50 0 IKAARN COc1ccc(-c2csc(CCNC(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1 ZINC000058210466 556771989 /nfs/dbraw/zinc/77/19/89/556771989.db2.gz JAPCSPBYASWILS-UHFFFAOYSA-N 0 0 442.540 5.022 50 0 IKAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 ZINC000058224956 556773702 /nfs/dbraw/zinc/77/37/02/556773702.db2.gz QOXBPKJTVZKVHV-TWOQFEAHSA-N 0 0 438.959 5.187 50 0 IKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000058245169 556775003 /nfs/dbraw/zinc/77/50/03/556775003.db2.gz XQEGBCUDCYPUMG-HZPDHXFCSA-N 0 0 427.595 5.537 50 0 IKAARN CC(C)c1noc(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)n1 ZINC000058247577 556775452 /nfs/dbraw/zinc/77/54/52/556775452.db2.gz ONSTXODDJNBVKV-ZDUSSCGKSA-N 0 0 430.302 5.029 50 0 IKAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000058304490 556778601 /nfs/dbraw/zinc/77/86/01/556778601.db2.gz WHPYYVHPMMYJDQ-HUUCEWRRSA-N 0 0 448.394 5.471 50 0 IKAARN COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1C ZINC000058324542 556780636 /nfs/dbraw/zinc/78/06/36/556780636.db2.gz FOACHHWBIJEVHQ-SANMLTNESA-N 0 0 449.554 5.843 50 0 IKAARN CC(=O)Nc1ccc(C)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)c1 ZINC000058357618 556782894 /nfs/dbraw/zinc/78/28/94/556782894.db2.gz VGLQMZJRPAPYMK-UHFFFAOYSA-N 0 0 434.521 5.396 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058367667 556783081 /nfs/dbraw/zinc/78/30/81/556783081.db2.gz SWXINYKMNTXOPQ-UHFFFAOYSA-N 0 0 441.491 5.335 50 0 IKAARN Cc1c(C(=O)N(C)[C@@H](c2cccc(F)c2)c2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000058367650 556783150 /nfs/dbraw/zinc/78/31/50/556783150.db2.gz GOOMIOSXTLENNJ-QHCPKHFHSA-N 0 0 434.902 5.230 50 0 IKAARN Cc1nc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)[nH]c1Cc1ccccc1 ZINC000058370072 556783426 /nfs/dbraw/zinc/78/34/26/556783426.db2.gz UGFVVFYVCYTMBT-UHFFFAOYSA-N 0 0 431.348 5.958 50 0 IKAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C=Cc1ccc(-c2ccccc2Cl)s1 ZINC000058378114 556783944 /nfs/dbraw/zinc/78/39/44/556783944.db2.gz UCZWKYQCAPEWKC-VQHVLOKHSA-N 0 0 441.965 5.038 50 0 IKAARN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc2cccc(Br)c2o1 ZINC000058387042 556784547 /nfs/dbraw/zinc/78/45/47/556784547.db2.gz FXASRRKSTCIBOK-UHFFFAOYSA-N 0 0 428.286 5.075 50 0 IKAARN CN(Cc1cccc2ccccc21)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000058381085 556784559 /nfs/dbraw/zinc/78/45/59/556784559.db2.gz WOBDGHOCHLBLMH-HXUWFJFHSA-N 0 0 444.478 5.320 50 0 IKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000058393575 556785083 /nfs/dbraw/zinc/78/50/83/556785083.db2.gz GMVTVAVHPIABNW-UHFFFAOYSA-N 0 0 444.438 5.748 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 ZINC000058417259 556786961 /nfs/dbraw/zinc/78/69/61/556786961.db2.gz IACJZCLPOXZRSX-UHFFFAOYSA-N 0 0 431.945 5.256 50 0 IKAARN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 ZINC000058431616 556787833 /nfs/dbraw/zinc/78/78/33/556787833.db2.gz IJEWRQJIYBTVJY-UHFFFAOYSA-N 0 0 438.325 5.339 50 0 IKAARN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000058433166 556787958 /nfs/dbraw/zinc/78/79/58/556787958.db2.gz MLKZGVFOIOAJLX-UHFFFAOYSA-N 0 0 443.931 5.162 50 0 IKAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000058449980 556789206 /nfs/dbraw/zinc/78/92/06/556789206.db2.gz BVIIWGFQQJDDBJ-UHFFFAOYSA-N 0 0 433.166 5.061 50 0 IKAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccccc2Cl)CC1 ZINC000058493525 556789449 /nfs/dbraw/zinc/78/94/49/556789449.db2.gz JYSCWAZNJWOJIC-AWEZNQCLSA-N 0 0 436.865 5.292 50 0 IKAARN COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)n2CCc2ccccc2)cc1 ZINC000058556312 556789933 /nfs/dbraw/zinc/78/99/33/556789933.db2.gz JFUVYAMLIBBBQR-UHFFFAOYSA-N 0 0 436.968 5.537 50 0 IKAARN CN(Cc1csc2ccccc12)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000058533189 556790069 /nfs/dbraw/zinc/79/00/69/556790069.db2.gz MOOWQYCBGLNHPO-UHFFFAOYSA-N 0 0 433.327 5.099 50 0 IKAARN Cc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000058565862 556790242 /nfs/dbraw/zinc/79/02/42/556790242.db2.gz IUPIJDATWVULNX-UHFFFAOYSA-N 0 0 442.485 5.072 50 0 IKAARN CC(=O)c1ccc(SCC(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c(F)c1 ZINC000058700974 556791215 /nfs/dbraw/zinc/79/12/15/556791215.db2.gz NFAOINCEYJFKSE-ZDUSSCGKSA-N 0 0 439.474 5.891 50 0 IKAARN CC(=O)c1ccc(SCC(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c(F)c1 ZINC000058700976 556791226 /nfs/dbraw/zinc/79/12/26/556791226.db2.gz NFAOINCEYJFKSE-CYBMUJFWSA-N 0 0 439.474 5.891 50 0 IKAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1OC ZINC000011181396 556791971 /nfs/dbraw/zinc/79/19/71/556791971.db2.gz QMDBNBLYAKFYGH-UHFFFAOYSA-N 0 0 428.872 5.235 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058828117 556792163 /nfs/dbraw/zinc/79/21/63/556792163.db2.gz NMAJMJZZANGFHG-UHFFFAOYSA-N 0 0 438.837 5.853 50 0 IKAARN CC(C)[C@@H](CCNC(=O)C[C@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 ZINC000005398427 556793233 /nfs/dbraw/zinc/79/32/33/556793233.db2.gz LFWUOLPEABZMPN-PXDATVDWSA-N 0 0 432.004 6.096 50 0 IKAARN COc1ccc(CCNC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1OC ZINC000034145008 556797289 /nfs/dbraw/zinc/79/72/89/556797289.db2.gz GQPRNTGEOTVYPE-FNTYUKOXSA-N 0 0 427.544 5.050 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000001509261 556797448 /nfs/dbraw/zinc/79/74/48/556797448.db2.gz VWIBPHLGNHSPJE-UHFFFAOYSA-N 0 0 431.311 5.002 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 ZINC000011196689 556798261 /nfs/dbraw/zinc/79/82/61/556798261.db2.gz ZIMDJPLLKKTPAK-UHFFFAOYSA-N 0 0 442.544 5.176 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cccc(Br)c1 ZINC000001957833 556798373 /nfs/dbraw/zinc/79/83/73/556798373.db2.gz UATMIZDTFPQGKC-UHFFFAOYSA-N 0 0 449.131 6.239 50 0 IKAARN Cc1ccccc1COc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 ZINC000002081650 556799057 /nfs/dbraw/zinc/79/90/57/556799057.db2.gz XKMHRYSFIACCJF-YVNNLAQVSA-N 0 0 439.845 5.850 50 0 IKAARN COC(=O)[C@]1(C)CN(C2=Nc3ccc(Cl)cc3CS2)N=C1c1ccc(Cl)cc1 ZINC000002150750 556799109 /nfs/dbraw/zinc/79/91/09/556799109.db2.gz HXNKMWYPMQLGQW-HXUWFJFHSA-N 0 0 434.348 5.127 50 0 IKAARN COc1cccc(-n2ccnc2SCc2csc(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000011199275 556799203 /nfs/dbraw/zinc/79/92/03/556799203.db2.gz ZYIWZEXKIKUZIT-UHFFFAOYSA-N 0 0 439.562 5.314 50 0 IKAARN COc1cc(OC)cc(C(=O)O[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 ZINC000002621868 556800491 /nfs/dbraw/zinc/80/04/91/556800491.db2.gz RLXAZRYTLRKKIR-QFIPXVFZSA-N 0 0 439.895 5.202 50 0 IKAARN COc1ccc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2c1 ZINC000002626697 556800669 /nfs/dbraw/zinc/80/06/69/556800669.db2.gz GZEYBGASVFGQEF-UHFFFAOYSA-N 0 0 428.435 6.243 50 0 IKAARN Fc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)cc1 ZINC000002626372 556800708 /nfs/dbraw/zinc/80/07/08/556800708.db2.gz UJQWCBANYGKWRO-UHFFFAOYSA-N 0 0 429.480 5.416 50 0 IKAARN CCOc1ccccc1NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000002623860 556800734 /nfs/dbraw/zinc/80/07/34/556800734.db2.gz WHEOTOODGYZIGW-OAQYLSRUSA-N 0 0 432.372 6.864 50 0 IKAARN COc1ccc(/C=C/C(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1OC ZINC000002624882 556800799 /nfs/dbraw/zinc/80/07/99/556800799.db2.gz JATDWXHHFNRLEE-FYWRMAATSA-N 0 0 444.556 6.308 50 0 IKAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 ZINC000033050669 556800920 /nfs/dbraw/zinc/80/09/20/556800920.db2.gz UOEIKUNNTIOKJK-UHFFFAOYSA-N 0 0 437.952 5.477 50 0 IKAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1 ZINC000002630154 556800975 /nfs/dbraw/zinc/80/09/75/556800975.db2.gz MVKMCAACDJIFFC-UHFFFAOYSA-N 0 0 438.483 5.992 50 0 IKAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccc(Cl)c(Cl)c1 ZINC000002630054 556801052 /nfs/dbraw/zinc/80/10/52/556801052.db2.gz LYYCRJUWYOPXKD-UHFFFAOYSA-N 0 0 430.287 5.259 50 0 IKAARN COc1cc2c(cc1OC)CN(C(=O)CCN1c3ccccc3Sc3ccccc31)CC2 ZINC000002635614 556801375 /nfs/dbraw/zinc/80/13/75/556801375.db2.gz IUXVTFLIULOERA-UHFFFAOYSA-N 0 0 446.572 5.282 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCc1ccc(Cl)cc1 ZINC000002646853 556801866 /nfs/dbraw/zinc/80/18/66/556801866.db2.gz OJIGZOHDSZVWIQ-UHFFFAOYSA-N 0 0 448.975 6.113 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)c2ccc[nH]2)CCCC4)cc1C ZINC000002645834 556801878 /nfs/dbraw/zinc/80/18/78/556801878.db2.gz ZDUNUCWAFSJGLQ-UHFFFAOYSA-N 0 0 449.601 5.246 50 0 IKAARN O=C(CCCSc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000002647556 556801892 /nfs/dbraw/zinc/80/18/92/556801892.db2.gz RFSWHORECMTRIR-UHFFFAOYSA-N 0 0 430.598 6.988 50 0 IKAARN COc1cc(C(=O)OCc2ccc(Br)cc2)ccc1OCc1ccccc1 ZINC000002644712 556801909 /nfs/dbraw/zinc/80/19/09/556801909.db2.gz BJXFEVMZEGVTIO-UHFFFAOYSA-N 0 0 427.294 5.394 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002650417 556802247 /nfs/dbraw/zinc/80/22/47/556802247.db2.gz PUZKIKFWCUEOCE-UHFFFAOYSA-N 0 0 436.625 5.405 50 0 IKAARN CSc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000002654283 556802435 /nfs/dbraw/zinc/80/24/35/556802435.db2.gz SPQKFNKOAGPJFS-UHFFFAOYSA-N 0 0 449.373 6.639 50 0 IKAARN CCCCOc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000002655390 556802457 /nfs/dbraw/zinc/80/24/57/556802457.db2.gz LEHIFMAZJFLVLT-UHFFFAOYSA-N 0 0 433.529 5.852 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c1C ZINC000002658737 556802799 /nfs/dbraw/zinc/80/27/99/556802799.db2.gz BURWWAJMPBKFEP-UHFFFAOYSA-N 0 0 448.544 5.253 50 0 IKAARN CO[C@H](C)C(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000059740689 556803977 /nfs/dbraw/zinc/80/39/77/556803977.db2.gz FTYYHCYGKMGLQA-CQSZACIVSA-N 0 0 431.355 5.141 50 0 IKAARN CC(C)c1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 ZINC000003177066 556804054 /nfs/dbraw/zinc/80/40/54/556804054.db2.gz BCUSTBDELLCTOE-UHFFFAOYSA-N 0 0 436.275 7.795 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000003210148 556804292 /nfs/dbraw/zinc/80/42/92/556804292.db2.gz RMJLJWSZFHNNBI-UHFFFAOYSA-N 0 0 435.357 6.593 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4cc(Cl)ccc4OC)cs3)c(=O)oc2c1 ZINC000003073019 556804602 /nfs/dbraw/zinc/80/46/02/556804602.db2.gz JLALEEODLCHJSQ-UHFFFAOYSA-N 0 0 440.952 6.092 50 0 IKAARN FC(F)(F)c1nc(Nc2ccc(Br)cc2)sc1-c1ccc(Cl)cc1 ZINC000003084431 556804627 /nfs/dbraw/zinc/80/46/27/556804627.db2.gz GFTIVYBFRGBSPL-UHFFFAOYSA-N 0 0 433.680 6.988 50 0 IKAARN CCOc1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc(OCC)c1OCC ZINC000003250003 556805013 /nfs/dbraw/zinc/80/50/13/556805013.db2.gz QZIVSAMASRWYFV-UHFFFAOYSA-N 0 0 427.522 5.363 50 0 IKAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000003216399 556805162 /nfs/dbraw/zinc/80/51/62/556805162.db2.gz CIZYRWMFROLSPN-UHFFFAOYSA-N 0 0 437.495 5.870 50 0 IKAARN O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000003214200 556805186 /nfs/dbraw/zinc/80/51/86/556805186.db2.gz LRCLZPMAOXJLAL-UHFFFAOYSA-N 0 0 442.153 5.014 50 0 IKAARN COCCN(CCOC)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000003214330 556805222 /nfs/dbraw/zinc/80/52/22/556805222.db2.gz AEWHGRSSMQLDDQ-UHFFFAOYSA-N 0 0 440.543 5.304 50 0 IKAARN O=C(c1cc(Cl)cc(Cl)c1)N(CN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 ZINC000003214062 556805284 /nfs/dbraw/zinc/80/52/84/556805284.db2.gz GTHUKNXRDQJAFU-UHFFFAOYSA-N 0 0 443.261 5.033 50 0 IKAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000003220511 556805489 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CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C/c3cccc(Cl)c3)ccc21 ZINC000003230049 556806080 /nfs/dbraw/zinc/80/60/80/556806080.db2.gz UTTGHIYKMXJSAG-JLHYYAGUSA-N 0 0 432.907 5.663 50 0 IKAARN COc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)c(OC)c1 ZINC000003235481 556806343 /nfs/dbraw/zinc/80/63/43/556806343.db2.gz AGZJBBFWJPAMPB-UHFFFAOYSA-N 0 0 434.495 6.325 50 0 IKAARN Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)c(C)c1 ZINC000005451113 556806351 /nfs/dbraw/zinc/80/63/51/556806351.db2.gz PBTYVFDIQCFSQK-NDEPHWFRSA-N 0 0 426.560 6.006 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(Cl)nc3Cl)ccc2OC(F)F)cc1 ZINC000060098714 556806653 /nfs/dbraw/zinc/80/66/53/556806653.db2.gz SIQHDEBYNSSFJF-UHFFFAOYSA-N 0 0 439.245 5.918 50 0 IKAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003241894 556806955 /nfs/dbraw/zinc/80/69/55/556806955.db2.gz LCVYRTHMPNZYHF-UHFFFAOYSA-N 0 0 437.295 6.353 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)N1CC=C(c3ccccc3)CC1)oc1ccccc12 ZINC000003292527 556806960 /nfs/dbraw/zinc/80/69/60/556806960.db2.gz OXNVDTPFHPOECC-GOSISDBHSA-N 0 0 426.516 5.711 50 0 IKAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2cc3ccccc3cc2OC)c2ccccc2)c1 ZINC000003244227 556806968 /nfs/dbraw/zinc/80/69/68/556806968.db2.gz VTIHWPIWRXROGL-VWLOTQADSA-N 0 0 441.483 5.394 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c1 ZINC000003259102 556807013 /nfs/dbraw/zinc/80/70/13/556807013.db2.gz JROYPIKXVSYQRU-UHFFFAOYSA-N 0 0 438.572 5.937 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000003257052 556807102 /nfs/dbraw/zinc/80/71/02/556807102.db2.gz YVBCSRIXLWOKJL-UHFFFAOYSA-N 0 0 439.462 5.928 50 0 IKAARN Cc1ccc(-c2cc(-c3nnc(SCc4ccc(F)cc4)n3N)c3ccccc3n2)cc1 ZINC000003293061 556807118 /nfs/dbraw/zinc/80/71/18/556807118.db2.gz PXHLZTCFKZYFAT-UHFFFAOYSA-N 0 0 441.535 5.614 50 0 IKAARN CCOc1ccccc1C1=N/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C(=O)O1 ZINC000003259442 556807125 /nfs/dbraw/zinc/80/71/25/556807125.db2.gz DZQFDPMQIJXULE-RCCKNPSSSA-N 0 0 429.472 5.017 50 0 IKAARN Cc1ccccc1NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003293063 556807179 /nfs/dbraw/zinc/80/71/79/556807179.db2.gz MCHYSKCHIDFUFT-BUHFOSPRSA-N 0 0 443.528 5.104 50 0 IKAARN O=C(/C=C/c1ccco1)O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000003259876 556807317 /nfs/dbraw/zinc/80/73/17/556807317.db2.gz BNPDACQLTRCVBJ-BQYDLMEBSA-N 0 0 449.812 5.888 50 0 IKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003270000 556807662 /nfs/dbraw/zinc/80/76/62/556807662.db2.gz DBBWAPDYKKIESK-MDWZMJQESA-N 0 0 426.442 5.342 50 0 IKAARN Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000003284068 556808435 /nfs/dbraw/zinc/80/84/35/556808435.db2.gz RBPNOCXIIDZFFT-UHFFFAOYSA-N 0 0 428.410 5.284 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)c(C)c1 ZINC000003283551 556808491 /nfs/dbraw/zinc/80/84/91/556808491.db2.gz XXSHGLPMSGSTKO-UHFFFAOYSA-N 0 0 436.509 5.231 50 0 IKAARN CC[C@H](C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC000003285541 556808706 /nfs/dbraw/zinc/80/87/06/556808706.db2.gz XZPKJZRTYYDGKF-FQEVSTJZSA-N 0 0 439.964 6.167 50 0 IKAARN COc1ccc(OCCC(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000003304075 556808972 /nfs/dbraw/zinc/80/89/72/556808972.db2.gz IQTQMHPOWUWBRQ-RUZDIDTESA-N 0 0 433.504 5.004 50 0 IKAARN Cc1cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C)n1C[C@H]1CCCO1 ZINC000003302752 556809018 /nfs/dbraw/zinc/80/90/18/556809018.db2.gz PDMCPZQDQAYCPZ-CQSZACIVSA-N 0 0 432.895 5.326 50 0 IKAARN CCOc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2CCCOC)cc1 ZINC000003304329 556809142 /nfs/dbraw/zinc/80/91/42/556809142.db2.gz JGJRRNMBQSULBN-UHFFFAOYSA-N 0 0 445.972 5.009 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(OC)cc1OC ZINC000003305546 556809204 /nfs/dbraw/zinc/80/92/04/556809204.db2.gz GACMNIXCZVUAMK-UHFFFAOYSA-N 0 0 445.924 5.515 50 0 IKAARN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003310236 556809452 /nfs/dbraw/zinc/80/94/52/556809452.db2.gz PTZGOLMLPBXSSN-UHFFFAOYSA-N 0 0 441.525 5.678 50 0 IKAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003309595 556809503 /nfs/dbraw/zinc/80/95/03/556809503.db2.gz WFLIWIQMJRJKMO-UHFFFAOYSA-N 0 0 432.328 5.940 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)Cc2ccc(Br)cc2)c2ccc(C)cc2)cc1 ZINC000003314311 556809642 /nfs/dbraw/zinc/80/96/42/556809642.db2.gz ZKYREJHGUDOMQS-XMMPIXPASA-N 0 0 437.333 5.776 50 0 IKAARN O=C1Nc2ccc(Cl)cc2/C1=C\c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000003316675 556809913 /nfs/dbraw/zinc/80/99/13/556809913.db2.gz BBWRKSQHPLQROT-NTCAYCPXSA-N 0 0 427.982 6.008 50 0 IKAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000003319249 556809946 /nfs/dbraw/zinc/80/99/46/556809946.db2.gz MPQAHLMNXVVLSI-UHFFFAOYSA-N 0 0 428.743 5.631 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 ZINC000003321233 556810126 /nfs/dbraw/zinc/81/01/26/556810126.db2.gz BHJWPJZFYIAYNS-UHFFFAOYSA-N 0 0 436.027 6.171 50 0 IKAARN Cc1cccc(C)c1N(C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 ZINC000003294141 556810594 /nfs/dbraw/zinc/81/05/94/556810594.db2.gz WTLQIAFSPNBVIM-UHFFFAOYSA-N 0 0 441.383 7.127 50 0 IKAARN CCOc1ccc(-n2c(SCCOc3ccccc3F)nnc2-c2ccccc2)cc1 ZINC000003327681 556810629 /nfs/dbraw/zinc/81/06/29/556810629.db2.gz ZYISPUMRNLYYGH-UHFFFAOYSA-N 0 0 435.524 5.643 50 0 IKAARN Cc1ccccc1N(C(=O)/C=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000003328072 556810636 /nfs/dbraw/zinc/81/06/36/556810636.db2.gz XCMIZFPSQYFOGP-BUHFOSPRSA-N 0 0 438.474 7.002 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000003300482 556811146 /nfs/dbraw/zinc/81/11/46/556811146.db2.gz GMHWGMCGXCHQFW-VZUCSPMQSA-N 0 0 433.335 5.179 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccccc2Cl)c2ccccc2)cc1Cl ZINC000003300497 556811196 /nfs/dbraw/zinc/81/11/96/556811196.db2.gz BDHHOVGUKOHGLG-KHMHUBCMSA-N 0 0 440.326 6.238 50 0 IKAARN C[C@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)Nc1cccc(Cl)c1 ZINC000003373555 556811783 /nfs/dbraw/zinc/81/17/83/556811783.db2.gz MARYVZGUZODKMT-ZDUSSCGKSA-N 0 0 425.966 6.131 50 0 IKAARN COc1ccccc1-n1cnnc1S[C@@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000003361134 556811795 /nfs/dbraw/zinc/81/17/95/556811795.db2.gz HPFKFFNZTPQCJR-XMMPIXPASA-N 0 0 429.545 5.609 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COc2ccc3c(c2)oc(=O)cc3C(F)(F)F)c1Cl ZINC000003366634 556811950 /nfs/dbraw/zinc/81/19/50/556811950.db2.gz ZFGFPZMOXBPQLQ-UHFFFAOYSA-N 0 0 446.208 5.445 50 0 IKAARN Fc1ccc(Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)cc1 ZINC000003365420 556812061 /nfs/dbraw/zinc/81/20/61/556812061.db2.gz CCIRDGCNRTYHKM-UHFFFAOYSA-N 0 0 441.984 7.008 50 0 IKAARN O=C(CC1CCCC1)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003366018 556812066 /nfs/dbraw/zinc/81/20/66/556812066.db2.gz AKXMXXPRJCJWOE-HXUWFJFHSA-N 0 0 439.861 6.162 50 0 IKAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)c1ccc(Br)cc1 ZINC000003335413 556812718 /nfs/dbraw/zinc/81/27/18/556812718.db2.gz DLCMZHYVDYWHJG-LLVKDONJSA-N 0 0 433.396 5.696 50 0 IKAARN CCOc1cc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cc(OCC)c1OCC ZINC000003341880 556812962 /nfs/dbraw/zinc/81/29/62/556812962.db2.gz NXRROOFDRBZBIE-UHFFFAOYSA-N 0 0 428.569 6.154 50 0 IKAARN CC(C)c1ccccc1NC(=O)COC(=O)CSc1cccc2cccc(Cl)c21 ZINC000003349581 556813471 /nfs/dbraw/zinc/81/34/71/556813471.db2.gz CMSWXNUASJKGJF-UHFFFAOYSA-N 0 0 427.953 5.891 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1 ZINC000003349146 556813493 /nfs/dbraw/zinc/81/34/93/556813493.db2.gz CATRTMQXISHBGV-UHFFFAOYSA-N 0 0 449.391 6.096 50 0 IKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1C ZINC000003347195 556813525 /nfs/dbraw/zinc/81/35/25/556813525.db2.gz RBIVAZJWSHIRTI-UHFFFAOYSA-N 0 0 439.393 5.936 50 0 IKAARN Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003346870 556813594 /nfs/dbraw/zinc/81/35/94/556813594.db2.gz ALKINYACOHKFNG-UHFFFAOYSA-N 0 0 447.608 5.370 50 0 IKAARN CCc1c2cc(F)ccc2oc(=O)c1-c1nc(-c2ccccc2)sc1-c1ccc(C)cc1 ZINC000003351847 556813859 /nfs/dbraw/zinc/81/38/59/556813859.db2.gz WGEAKIQIYZYPHL-UHFFFAOYSA-N 0 0 441.527 7.260 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1 ZINC000003380567 556814002 /nfs/dbraw/zinc/81/40/02/556814002.db2.gz NNUWLZNJYNJEPP-UHFFFAOYSA-N 0 0 448.588 5.378 50 0 IKAARN CC(C)CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O ZINC000011209224 556814178 /nfs/dbraw/zinc/81/41/78/556814178.db2.gz CQROTYAAUPWNAM-UHFFFAOYSA-N 0 0 449.498 5.192 50 0 IKAARN O=C(CSc1ccc2ccccc2c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003396496 556814338 /nfs/dbraw/zinc/81/43/38/556814338.db2.gz ILZOEIUQMLNYIN-UHFFFAOYSA-N 0 0 428.561 5.556 50 0 IKAARN COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)c1 ZINC000003397216 556814390 /nfs/dbraw/zinc/81/43/90/556814390.db2.gz YHNJSNKJOSIMFY-KOEQRZSOSA-N 0 0 429.516 5.541 50 0 IKAARN CCOc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)cc1 ZINC000003459639 556814415 /nfs/dbraw/zinc/81/44/15/556814415.db2.gz GOGXDNFHTWBHLB-UHFFFAOYSA-N 0 0 428.557 6.288 50 0 IKAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003408923 556814737 /nfs/dbraw/zinc/81/47/37/556814737.db2.gz NTYMBSMJJZMMHY-UHFFFAOYSA-N 0 0 425.494 6.942 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)Oc2ccc(Cl)cc2Cc2ccccc2)c1C ZINC000003435240 556815479 /nfs/dbraw/zinc/81/54/79/556815479.db2.gz BTPUKYOOHTXAHB-UHFFFAOYSA-N 0 0 441.958 7.510 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(C)c(C)c(C)n4)cc3)sc2c1 ZINC000003448298 556815795 /nfs/dbraw/zinc/81/57/95/556815795.db2.gz MNHHOKXAYZHYOI-UHFFFAOYSA-N 0 0 434.590 5.718 50 0 IKAARN Cc1ccc(-n2c(SCc3coc(-c4ccccc4)n3)nnc2-c2ccccc2)cc1C ZINC000003441351 556815816 /nfs/dbraw/zinc/81/58/16/556815816.db2.gz PODQJNNXVIKIFA-UHFFFAOYSA-N 0 0 438.556 6.498 50 0 IKAARN Cc1ccccc1N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000021808842 556815921 /nfs/dbraw/zinc/81/59/21/556815921.db2.gz SPGPRVPZZNBKDR-SCNJEZMNSA-N 0 0 449.620 5.371 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000021809140 556816199 /nfs/dbraw/zinc/81/61/99/556816199.db2.gz ULGXDVLRYMSQIH-ZTEVPRNISA-N 0 0 449.620 5.121 50 0 IKAARN C[C@@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003379088 556816324 /nfs/dbraw/zinc/81/63/24/556816324.db2.gz ZUJZWWXYCGMUSF-CQSZACIVSA-N 0 0 429.303 5.921 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000033062360 556817997 /nfs/dbraw/zinc/81/79/97/556817997.db2.gz DIAMFGOLBAQXCE-FQEVSTJZSA-N 0 0 429.520 5.447 50 0 IKAARN CCn1cc([C@H](CNC(=O)Nc2cccc(SC)c2)c2cccnc2)c2ccccc21 ZINC000033062483 556818016 /nfs/dbraw/zinc/81/80/16/556818016.db2.gz YVNASDNWLQLMHD-JOCHJYFZSA-N 0 0 430.577 5.732 50 0 IKAARN Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000005484935 556818087 /nfs/dbraw/zinc/81/80/87/556818087.db2.gz UVRXHUHWEQZPNT-UHFFFAOYSA-N 0 0 427.617 7.141 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2ccc(C)c(F)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033062398 556818100 /nfs/dbraw/zinc/81/81/00/556818100.db2.gz CWJBAJWBWORVKW-FQEVSTJZSA-N 0 0 447.510 5.586 50 0 IKAARN COc1ccc(OC)c(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c1 ZINC000033062253 556818109 /nfs/dbraw/zinc/81/81/09/556818109.db2.gz PRQPBFLPCPZHIZ-FQEVSTJZSA-N 0 0 433.483 5.278 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)[C@H]3C[C@H]3c3ccccc3)cccc12)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004011736 556818339 /nfs/dbraw/zinc/81/83/39/556818339.db2.gz PNVFCFVHVYRXRA-POYMRFPPSA-N 0 0 446.550 6.324 50 0 IKAARN O=C(Nc1cccc2c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc12)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004011738 556818453 /nfs/dbraw/zinc/81/84/53/556818453.db2.gz PNVFCFVHVYRXRA-VEYUFSJPSA-N 0 0 446.550 6.324 50 0 IKAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000033067995 556819784 /nfs/dbraw/zinc/81/97/84/556819784.db2.gz CXUKRKLYUZMDHK-UHFFFAOYSA-N 0 0 441.531 5.132 50 0 IKAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3)nc12 ZINC000033067887 556820091 /nfs/dbraw/zinc/82/00/91/556820091.db2.gz BLWWMZVXYWKOEY-UHFFFAOYSA-N 0 0 448.910 5.188 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 ZINC000033068086 556820508 /nfs/dbraw/zinc/82/05/08/556820508.db2.gz VABJIOJJDACSQT-UHFFFAOYSA-N 0 0 442.519 5.151 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1)c1ccccc1 ZINC000033068074 556820520 /nfs/dbraw/zinc/82/05/20/556820520.db2.gz LADXNOQVEVBRKO-QHCPKHFHSA-N 0 0 441.531 5.023 50 0 IKAARN C[C@@H](NC(=S)N=[P@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 ZINC000005519551 556820943 /nfs/dbraw/zinc/82/09/43/556820943.db2.gz OZNNEBVFCDKOKT-WHLCRQNOSA-N 0 0 429.570 5.195 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCCN(C(=O)Nc3ccccc3)CC1)=N2 ZINC000096503506 556821863 /nfs/dbraw/zinc/82/18/63/556821863.db2.gz VPPJHXOCQVPHSR-UHFFFAOYSA-N 0 0 440.547 5.727 50 0 IKAARN COc1ccc2c(c1)C(N1CCCN(C(=O)CC(C)(C)C)CC1)=Nc1ccc(C)cc1O2 ZINC000096503387 556821911 /nfs/dbraw/zinc/82/19/11/556821911.db2.gz SXCCLXBDWDTJJO-UHFFFAOYSA-N 0 0 435.568 5.158 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)c3cccc(Cl)c3)CC1)=Nc1ccccc1O2 ZINC000096503563 556822139 /nfs/dbraw/zinc/82/21/39/556822139.db2.gz LHSLEDSFYRGDJK-UHFFFAOYSA-N 0 0 445.950 5.681 50 0 IKAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)Nc3cccc(F)c3)CC1)=Nc1ccccc1O2 ZINC000096503566 556822148 /nfs/dbraw/zinc/82/21/48/556822148.db2.gz RGSAFSFBEMGPNG-UHFFFAOYSA-N 0 0 444.510 5.558 50 0 IKAARN Cc1cc(I)ccc1-c1ccc(I)cc1C ZINC000064220097 556823365 /nfs/dbraw/zinc/82/33/65/556823365.db2.gz WHFMNDMHTIOIMS-UHFFFAOYSA-N 0 0 434.058 5.180 50 0 IKAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)sc1C ZINC000064450520 556824224 /nfs/dbraw/zinc/82/42/24/556824224.db2.gz XTUQRLHLYPWAIQ-UHFFFAOYSA-N 0 0 443.525 5.128 50 0 IKAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000064450526 556824243 /nfs/dbraw/zinc/82/42/43/556824243.db2.gz CLKYBKWUHIGXSJ-UHFFFAOYSA-N 0 0 429.498 5.022 50 0 IKAARN O=C(c1cnc2ccccc2c1Nc1ccc(Br)cc1F)N1CCSCC1 ZINC000064471868 556824408 /nfs/dbraw/zinc/82/44/08/556824408.db2.gz MQLHMMGUHJZBOB-UHFFFAOYSA-N 0 0 446.345 5.069 50 0 IKAARN O=C(Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1)c1ccc(Br)cc1 ZINC000064526667 556824481 /nfs/dbraw/zinc/82/44/81/556824481.db2.gz ZNLQLDJJIJRQSM-UHFFFAOYSA-N 0 0 441.369 5.182 50 0 IKAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1c1ccc(Cl)cc1 ZINC000064661937 556825761 /nfs/dbraw/zinc/82/57/61/556825761.db2.gz AOUYCMJRRXPSDB-DEOSSOPVSA-N 0 0 449.963 5.092 50 0 IKAARN Cc1c(Cl)cccc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064662061 556825965 /nfs/dbraw/zinc/82/59/65/556825965.db2.gz QRIJRASQXQIVNC-QHCPKHFHSA-N 0 0 441.984 5.143 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000064661990 556825969 /nfs/dbraw/zinc/82/59/69/556825969.db2.gz LHNALHIHPRUDOW-SANMLTNESA-N 0 0 443.572 5.055 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000064662221 556826180 /nfs/dbraw/zinc/82/61/80/556826180.db2.gz CQLDZNMCESPCDF-VWLOTQADSA-N 0 0 435.593 5.188 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)N1CCc2ccccc2C1 ZINC000064790167 556826721 /nfs/dbraw/zinc/82/67/21/556826721.db2.gz PEGYEVDCPJSXBX-UHFFFAOYSA-N 0 0 442.588 5.048 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1c(C)cccc1C ZINC000064790191 556826959 /nfs/dbraw/zinc/82/69/59/556826959.db2.gz NQYPOARMRBPIQE-UHFFFAOYSA-N 0 0 430.577 5.719 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1Cl ZINC000064790234 556826970 /nfs/dbraw/zinc/82/69/70/556826970.db2.gz XKCBTNYVLJQMBP-UHFFFAOYSA-N 0 0 440.931 5.586 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccc(C)cc1C ZINC000064790192 556826974 /nfs/dbraw/zinc/82/69/74/556826974.db2.gz LMBQZXTUOJYZIB-UHFFFAOYSA-N 0 0 430.577 5.719 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000064790249 556826984 /nfs/dbraw/zinc/82/69/84/556826984.db2.gz YIMASCPWOJLADL-UHFFFAOYSA-N 0 0 440.931 5.586 50 0 IKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1c(C)cccc1C ZINC000064790243 556826990 /nfs/dbraw/zinc/82/69/90/556826990.db2.gz RDDFTXPPNZKVBV-UHFFFAOYSA-N 0 0 434.540 5.550 50 0 IKAARN COc1cccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(C)cc4)cs3)c2C)c1 ZINC000064790202 556827042 /nfs/dbraw/zinc/82/70/42/556827042.db2.gz LGPIIPTZSKKANQ-UHFFFAOYSA-N 0 0 432.549 5.111 50 0 IKAARN COc1ccccc1NC(=O)c1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 ZINC000064816996 556827747 /nfs/dbraw/zinc/82/77/47/556827747.db2.gz MWXGUMZLHDXPNE-UHFFFAOYSA-N 0 0 448.548 5.104 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)c1 ZINC000064816970 556827800 /nfs/dbraw/zinc/82/78/00/556827800.db2.gz XLCGKOPWKKTESO-UHFFFAOYSA-N 0 0 446.576 5.712 50 0 IKAARN Cc1cccc(-n2nc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c3ccccc3c2=O)c1 ZINC000064949787 556829393 /nfs/dbraw/zinc/82/93/93/556829393.db2.gz YPJRBQZHBBYSTK-UHFFFAOYSA-N 0 0 448.404 5.430 50 0 IKAARN CSc1cccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)c1 ZINC000064950117 556829667 /nfs/dbraw/zinc/82/96/67/556829667.db2.gz XIUCBHGQEWXCDQ-UHFFFAOYSA-N 0 0 426.501 5.133 50 0 IKAARN COc1ccc([C@@H](Nc2ccccc2I)[C@@H]2CCCCC2=O)cc1 ZINC000002589197 556829828 /nfs/dbraw/zinc/82/98/28/556829828.db2.gz SALSQZUNPVNDJT-OXQOHEQNSA-N 0 0 435.305 5.212 50 0 IKAARN COc1ccc([C@@H](Nc2ccccc2I)[C@H]2CCCCC2=O)cc1 ZINC000002589195 556829841 /nfs/dbraw/zinc/82/98/41/556829841.db2.gz SALSQZUNPVNDJT-OXJNMPFZSA-N 0 0 435.305 5.212 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002446 556830707 /nfs/dbraw/zinc/83/07/07/556830707.db2.gz LMJRYOYHASDXGS-UHFFFAOYSA-N 0 0 428.580 5.014 50 0 IKAARN O=C(NCCC1=CCCCC1)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002493 556830776 /nfs/dbraw/zinc/83/07/76/556830776.db2.gz SDKHYSIGALKIOE-UHFFFAOYSA-N 0 0 440.591 5.182 50 0 IKAARN Cc1ccc(Oc2ccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)cc2)cc1 ZINC000065005162 556831955 /nfs/dbraw/zinc/83/19/55/556831955.db2.gz KLMXGHZFPKTJQO-UHFFFAOYSA-N 0 0 437.455 6.350 50 0 IKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3nc(-c4ccccc4)cs3)n2)c1 ZINC000019630047 556832073 /nfs/dbraw/zinc/83/20/73/556832073.db2.gz AXTJAJWEIFTINL-UHFFFAOYSA-N 0 0 439.540 6.347 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)cc1 ZINC000019629749 556832123 /nfs/dbraw/zinc/83/21/23/556832123.db2.gz BNBBPYFHSGVYNZ-UHFFFAOYSA-N 0 0 439.515 5.900 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000033068786 556832187 /nfs/dbraw/zinc/83/21/87/556832187.db2.gz VWZQFDPWZYAKBV-UHFFFAOYSA-N 0 0 427.529 5.154 50 0 IKAARN CSc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000033068776 556832191 /nfs/dbraw/zinc/83/21/91/556832191.db2.gz OELSJNPCLSYEPT-UHFFFAOYSA-N 0 0 431.586 5.673 50 0 IKAARN CCOC(=O)c1c(CC)c(C)sc1NC(=S)Nc1ccc(Cc2ccncc2)cc1 ZINC000019630415 556832293 /nfs/dbraw/zinc/83/22/93/556832293.db2.gz JSHPXDNZCHCIOC-UHFFFAOYSA-N 0 0 439.606 5.590 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1C ZINC000022993815 556832774 /nfs/dbraw/zinc/83/27/74/556832774.db2.gz ALIWGUIBELAXOL-UHFFFAOYSA-N 0 0 438.325 5.339 50 0 IKAARN Cc1ccc(CSCC2N=NC(=S)N2c2ccc(Br)cc2Cl)cc1 ZINC000019632579 556833347 /nfs/dbraw/zinc/83/33/47/556833347.db2.gz UUGYKWYIEAUPJI-UHFFFAOYSA-N 0 0 440.819 5.714 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(Cl)c3)c(NCc3ccc(C)cc3)n2c1C ZINC000065315863 556833359 /nfs/dbraw/zinc/83/33/59/556833359.db2.gz PIHOYHAJJIQWDA-UHFFFAOYSA-N 0 0 439.968 6.122 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OCC)cc3)c(NCc3cccc(C)c3)n2c1C ZINC000065315837 556833382 /nfs/dbraw/zinc/83/33/82/556833382.db2.gz XMYOSCPBCNJBFZ-UHFFFAOYSA-N 0 0 449.576 5.867 50 0 IKAARN CCOC(=O)c1sc2nc(-c3cccc(Cl)c3)c(NC3CCCCCC3)n2c1C ZINC000065315908 556833398 /nfs/dbraw/zinc/83/33/98/556833398.db2.gz DINTYTLCKVMPAI-UHFFFAOYSA-N 0 0 431.989 6.336 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(C)c(C)c3)c(NCc3cccc(F)c3)n2c1C ZINC000065315882 556833434 /nfs/dbraw/zinc/83/34/34/556833434.db2.gz XKDATGBJJVMFJY-UHFFFAOYSA-N 0 0 437.540 5.916 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC)c(OC)c3)c(NC3CCCCC3)n2c1C ZINC000065318762 556833530 /nfs/dbraw/zinc/83/35/30/556833530.db2.gz QDDNUABJVKSRJS-UHFFFAOYSA-N 0 0 443.569 5.310 50 0 IKAARN CCOC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)c(NC3CCCC3)n2c1C ZINC000065318771 556833553 /nfs/dbraw/zinc/83/35/53/556833553.db2.gz ROKSIEXBEUXSDZ-UHFFFAOYSA-N 0 0 427.570 5.690 50 0 IKAARN O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)Nc1ccc(Br)cc1Cl ZINC000019633101 556833567 /nfs/dbraw/zinc/83/35/67/556833567.db2.gz NDHFIENPFYGCLJ-UHFFFAOYSA-N 0 0 441.116 5.040 50 0 IKAARN O=C(c1cc(Br)cs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019633427 556833749 /nfs/dbraw/zinc/83/37/49/556833749.db2.gz PVXRLEGYIIUMDY-UHFFFAOYSA-N 0 0 441.394 5.058 50 0 IKAARN CCc1c(C)scc1C(=O)Nn1c(=O)c2cc(Cc3ccccc3)sc2[nH]c1=S ZINC000019634780 556834426 /nfs/dbraw/zinc/83/44/26/556834426.db2.gz NJPSAOSAHDAAPB-UHFFFAOYSA-N 0 0 441.603 5.028 50 0 IKAARN Cc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc12 ZINC000019634865 556834621 /nfs/dbraw/zinc/83/46/21/556834621.db2.gz YUMFHJKWYILVTM-UHFFFAOYSA-N 0 0 441.745 7.423 50 0 IKAARN Cc1cc(Cl)ccc1O[C@@H](C)c1nnc(SCc2cccc(C(F)(F)F)c2)n1C ZINC000019634972 556834634 /nfs/dbraw/zinc/83/46/34/556834634.db2.gz LOUUSQYLLJPAJH-ZDUSSCGKSA-N 0 0 441.906 6.228 50 0 IKAARN Cc1cc(Cl)ccc1O[C@H](C)c1nnc(SCc2cccc(C(F)(F)F)c2)n1C ZINC000019634968 556834673 /nfs/dbraw/zinc/83/46/73/556834673.db2.gz LOUUSQYLLJPAJH-CYBMUJFWSA-N 0 0 441.906 6.228 50 0 IKAARN Cc1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3cccc(C)c3)c2Cl)c1 ZINC000019634877 556834711 /nfs/dbraw/zinc/83/47/11/556834711.db2.gz OYJUTXHEMJQZRW-UHFFFAOYSA-N 0 0 441.789 7.842 50 0 IKAARN CC[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(=O)OC)C1 ZINC000019635478 556834738 /nfs/dbraw/zinc/83/47/38/556834738.db2.gz ZGDRDVAKWZHPIW-LLVKDONJSA-N 0 0 442.364 5.374 50 0 IKAARN COC(=O)c1c(NC(=S)N2CCC(Cc3ccccc3)CC2)sc2c1CC[C@H](C)C2 ZINC000019637083 556835725 /nfs/dbraw/zinc/83/57/25/556835725.db2.gz UXAUBANSCOJNNG-INIZCTEOSA-N 0 0 442.650 5.311 50 0 IKAARN CC[C@@H](NC(=O)c1cc(-c2cn(C)nc2C)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000019637001 556835747 /nfs/dbraw/zinc/83/57/47/556835747.db2.gz MNRHHJBECOCSDD-JUYOQADGSA-N 0 0 442.607 5.669 50 0 IKAARN CC[C@@H](NC(=O)c1cc(-c2cnn(CC)c2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000019636993 556835774 /nfs/dbraw/zinc/83/57/74/556835774.db2.gz UHFFBTZUZCIZQP-JUYOQADGSA-N 0 0 442.607 5.843 50 0 IKAARN CC[C@H](NC(=O)c1cc(-c2cn(C)nc2C)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000019637005 556835788 /nfs/dbraw/zinc/83/57/88/556835788.db2.gz MNRHHJBECOCSDD-RAXRNYJGSA-N 0 0 442.607 5.669 50 0 IKAARN Cc1cccc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(-c3cccnc3)nc12 ZINC000019637483 556835967 /nfs/dbraw/zinc/83/59/67/556835967.db2.gz JCZAZOOBPZQFFL-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN CCOc1cc(/C=C/C(=O)Nc2ccccc2Sc2nccn2C)cc(Cl)c1OC ZINC000062581040 556836605 /nfs/dbraw/zinc/83/66/05/556836605.db2.gz DTEHJRNQTYBNJX-MDZDMXLPSA-N 0 0 443.956 5.284 50 0 IKAARN CCc1cc(C(=O)NCCCCOc2ccc(C(C)(C)CC)cc2C(C)(C)CC)cs1 ZINC000019639164 556836682 /nfs/dbraw/zinc/83/66/82/556836682.db2.gz VVMLZLPWFXMVIL-UHFFFAOYSA-N 0 0 443.697 7.275 50 0 IKAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(C)ccc3[nH]1)CCCCCC2 ZINC000019639006 556836738 /nfs/dbraw/zinc/83/67/38/556836738.db2.gz NVVHQSPLKJIBGE-UHFFFAOYSA-N 0 0 443.594 5.109 50 0 IKAARN CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)CC)C3)cc1 ZINC000019639088 556836748 /nfs/dbraw/zinc/83/67/48/556836748.db2.gz QDUNMFKTPQQEFK-KRWDZBQOSA-N 0 0 443.609 5.656 50 0 IKAARN CCn1c(SCc2ccc(F)cc2Cl)nnc1[C@H](C)Oc1ccc(F)cc1Cl ZINC000019639856 556836861 /nfs/dbraw/zinc/83/68/61/556836861.db2.gz JZDHBYHMUIFHCD-NSHDSACASA-N 0 0 444.334 6.315 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000019639901 556836900 /nfs/dbraw/zinc/83/69/00/556836900.db2.gz LZUBFDNJGOUGFD-UHFFFAOYSA-N 0 0 444.343 6.641 50 0 IKAARN CC[C@H](NC(=O)Cn1nc(C(F)F)c(Br)c1C)C12CC3CC(CC(C3)C1)C2 ZINC000019639952 556836973 /nfs/dbraw/zinc/83/69/73/556836973.db2.gz ORQYYEHRXZBBEL-XACAWQSSSA-N 0 0 444.364 5.003 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccccc3C)n2)c(OC)c1 ZINC000019641093 556837270 /nfs/dbraw/zinc/83/72/70/556837270.db2.gz YZSDOYYAHGGAST-UHFFFAOYSA-N 0 0 444.531 5.608 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccc(C)cc3)n2)cc1OC ZINC000019641023 556837340 /nfs/dbraw/zinc/83/73/40/556837340.db2.gz FGSFHKPIKHRXPT-UHFFFAOYSA-N 0 0 444.531 5.608 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccc(C)cc3)n2)c(OC)c1 ZINC000019641099 556837345 /nfs/dbraw/zinc/83/73/45/556837345.db2.gz RUDVEKQTIQFELT-UHFFFAOYSA-N 0 0 444.531 5.608 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@H](c2nc3ccccc3[nH]2)C1 ZINC000096601959 556837414 /nfs/dbraw/zinc/83/74/14/556837414.db2.gz NAMVEPSDWRWGMF-NRFANRHFSA-N 0 0 439.906 5.164 50 0 IKAARN Cc1ccc([C@H]2Nc3c(sc4nc(C(F)(F)F)cc(-c5cccs5)c43)C(=O)N2)cc1 ZINC000019643361 556838071 /nfs/dbraw/zinc/83/80/71/556838071.db2.gz TVCWYCZZASNAFW-SFHVURJKSA-N 0 0 445.491 6.206 50 0 IKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)[C@@H](c1ccccc1)C1CCCC1 ZINC000096602664 556838389 /nfs/dbraw/zinc/83/83/89/556838389.db2.gz VDBXMFWWURLGDF-DEOSSOPVSA-N 0 0 447.003 7.529 50 0 IKAARN Clc1ccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)o2)cc1Cl ZINC000096602701 556838434 /nfs/dbraw/zinc/83/84/34/556838434.db2.gz FFPYVWVGGHKQBP-UHFFFAOYSA-N 0 0 435.354 7.279 50 0 IKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2s1 ZINC000019643701 556838566 /nfs/dbraw/zinc/83/85/66/556838566.db2.gz UNWPRLVQDCIVJR-UHFFFAOYSA-N 0 0 445.544 5.866 50 0 IKAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(-c2cccnc2)nc2c(C)cccc12 ZINC000019643687 556838580 /nfs/dbraw/zinc/83/85/80/556838580.db2.gz QHPNGLPDKWICJC-UHFFFAOYSA-N 0 0 445.544 5.658 50 0 IKAARN CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000019643890 556838808 /nfs/dbraw/zinc/83/88/08/556838808.db2.gz IIWJROFLUOJEQP-UHFFFAOYSA-N 0 0 445.588 5.013 50 0 IKAARN S=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)Nc1ccc(Cl)cc1Cl ZINC000019644202 556838969 /nfs/dbraw/zinc/83/89/69/556838969.db2.gz DSKNAJLXOQBFCH-UHFFFAOYSA-N 0 0 446.190 6.354 50 0 IKAARN O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc21)N1CCN(c2ccccc2F)CC1 ZINC000019644073 556839004 /nfs/dbraw/zinc/83/90/04/556839004.db2.gz SCCAVAKNZYAFGR-UHFFFAOYSA-N 0 0 445.925 5.657 50 0 IKAARN Cc1sc2nc(SCc3c(F)cccc3Cl)n(Cc3cccnc3)c(=O)c2c1C ZINC000019644134 556839016 /nfs/dbraw/zinc/83/90/16/556839016.db2.gz VVKQZVVELYDZJR-UHFFFAOYSA-N 0 0 445.972 5.603 50 0 IKAARN Cc1sc2nc(SCc3ccc(F)cc3Cl)n(Cc3ccccn3)c(=O)c2c1C ZINC000019644132 556839025 /nfs/dbraw/zinc/83/90/25/556839025.db2.gz YZRZSIJMXXPLGY-UHFFFAOYSA-N 0 0 445.972 5.603 50 0 IKAARN CCOc1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1CO ZINC000062587265 556839026 /nfs/dbraw/zinc/83/90/26/556839026.db2.gz XHPXDLYNHVXZOG-JOCHJYFZSA-N 0 0 444.453 5.388 50 0 IKAARN CCc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(Br)ccc3n2)cc1 ZINC000019644288 556839165 /nfs/dbraw/zinc/83/91/65/556839165.db2.gz CQKJOUHHLOBZER-UHFFFAOYSA-N 0 0 446.348 5.552 50 0 IKAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2CC)cc1 ZINC000019645045 556839656 /nfs/dbraw/zinc/83/96/56/556839656.db2.gz NOOXQRWFSMIEHZ-UHFFFAOYSA-N 0 0 446.576 5.323 50 0 IKAARN O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(c2ccccc2F)CC1 ZINC000019645412 556839889 /nfs/dbraw/zinc/83/98/89/556839889.db2.gz QSTHWGKINGOFIS-UHFFFAOYSA-N 0 0 446.913 5.052 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1csc2ccccc21 ZINC000019645459 556840078 /nfs/dbraw/zinc/84/00/78/556840078.db2.gz TZSCXDFOEPMALK-UHFFFAOYSA-N 0 0 446.960 5.703 50 0 IKAARN Fc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000019648134 556841060 /nfs/dbraw/zinc/84/10/60/556841060.db2.gz SWJFNHSKMZAPFD-UHFFFAOYSA-N 0 0 448.822 7.216 50 0 IKAARN S=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019648444 556841293 /nfs/dbraw/zinc/84/12/93/556841293.db2.gz ZZTGTCSWRRYSBB-UHFFFAOYSA-N 0 0 449.234 5.815 50 0 IKAARN COC(=O)c1sc2cc(NC(=S)N3c4ccc(F)cc4CC[C@H]3C)ccc2c1Cl ZINC000019648345 556841307 /nfs/dbraw/zinc/84/13/07/556841307.db2.gz LALNJPKXGVYOMP-LLVKDONJSA-N 0 0 448.972 6.019 50 0 IKAARN Fc1cc(F)c(F)c(Cn2ccc(NC(=S)Nc3ccc(Cl)c(Cl)c3)n2)c1F ZINC000019648468 556841316 /nfs/dbraw/zinc/84/13/16/556841316.db2.gz QNPODSVKTBUNRG-UHFFFAOYSA-N 0 0 449.260 5.604 50 0 IKAARN Cc1sc(NC(=O)/C=C/c2ccccc2F)c(C(N)=O)c1-c1ccc(Cl)cc1Cl ZINC000019648555 556841591 /nfs/dbraw/zinc/84/15/91/556841591.db2.gz RBTBEVHFWAWNBN-RMKNXTFCSA-N 0 0 449.334 5.920 50 0 IKAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000019683147 556841792 /nfs/dbraw/zinc/84/17/92/556841792.db2.gz XWBCKKPYRUUVQU-UHFFFAOYSA-N 0 0 431.319 5.338 50 0 IKAARN O=C(N[C@@H](c1ccccc1)c1ccc2c3c(cccc31)CC2)[C@@H](c1ccccc1)C1CCCC1 ZINC000067194119 556842058 /nfs/dbraw/zinc/84/20/58/556842058.db2.gz IOEOKVOYHXSRMC-CONSDPRKSA-N 0 0 445.606 7.118 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008725973 556843532 /nfs/dbraw/zinc/84/35/32/556843532.db2.gz OGMPFPCJFSIQOP-GOSISDBHSA-N 0 0 445.592 5.016 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C\c1ccc(-c2ccccc2F)s1 ZINC000096794811 556845833 /nfs/dbraw/zinc/84/58/33/556845833.db2.gz SHTMNMLGPZMWBN-BENRWUELSA-N 0 0 437.496 5.649 50 0 IKAARN Cc1cccc(NC(=O)CCC2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000067955537 556848057 /nfs/dbraw/zinc/84/80/57/556848057.db2.gz IPPCUTBJEDDYCB-UHFFFAOYSA-N 0 0 438.959 5.329 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc2ccccc2c1 ZINC000068713098 556849520 /nfs/dbraw/zinc/84/95/20/556849520.db2.gz GAAASXQLZLBYRB-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN CN(C)c1ccc(P2C3=C(N4CCCCC4)CC(C)(C)CC3=[NH+]N2c2ccccc2)cc1 ZINC000068719959 556849696 /nfs/dbraw/zinc/84/96/96/556849696.db2.gz PZPPDIAKGSJNEJ-UHFFFAOYSA-N 0 0 446.579 6.169 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1C ZINC000008851914 556850077 /nfs/dbraw/zinc/85/00/77/556850077.db2.gz PVXJMFGTTMULTE-SFHVURJKSA-N 0 0 438.597 5.630 50 0 IKAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n(CC(C)C)c2=O ZINC000033076943 556850699 /nfs/dbraw/zinc/85/06/99/556850699.db2.gz STOUZYCRXYWISG-UHFFFAOYSA-N 0 0 444.000 5.138 50 0 IKAARN C[C@H](Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C)c1nc2ccccc2c(=O)[nH]1 ZINC000008888024 556850760 /nfs/dbraw/zinc/85/07/60/556850760.db2.gz PGBAWKOSYNMYFQ-FTRWYGJKSA-N 0 0 446.580 5.181 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1cc(F)ccc1F ZINC000008894368 556851038 /nfs/dbraw/zinc/85/10/38/556851038.db2.gz ZXRGDZJJTHSCOD-UHFFFAOYSA-N 0 0 433.911 5.967 50 0 IKAARN C=Cc1ccc(CSc2nc3cc(C(=O)NCCC)ccc3c(=O)n2CC(C)C)cc1 ZINC000033076954 556851160 /nfs/dbraw/zinc/85/11/60/556851160.db2.gz ZWSIQJDJVXAVNU-UHFFFAOYSA-N 0 0 435.593 5.128 50 0 IKAARN COc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4c(cccc4Cl)s3)oc21 ZINC000008962692 556852002 /nfs/dbraw/zinc/85/20/02/556852002.db2.gz UZZFUAIVTQPLPQ-UHFFFAOYSA-N 0 0 449.919 5.947 50 0 IKAARN COc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4c(cccc4F)s3)oc21 ZINC000008962638 556852010 /nfs/dbraw/zinc/85/20/10/556852010.db2.gz BZPHWFYGDWLNCT-UHFFFAOYSA-N 0 0 433.464 5.432 50 0 IKAARN COc1ccc(NC(=O)COc2ccc(/C=C/c3nc4ccccc4o3)cc2OC)cc1 ZINC000008966310 556852155 /nfs/dbraw/zinc/85/21/55/556852155.db2.gz XRAUBJRGMZWAHF-RIYZIHGNSA-N 0 0 430.460 5.033 50 0 IKAARN Cc1ccc(Cn2c(CCCC(=O)NCc3ccc(Cl)cc3)nc3cccnc32)cc1 ZINC000033072615 556852309 /nfs/dbraw/zinc/85/23/09/556852309.db2.gz AQWMLGHRZDMHFL-UHFFFAOYSA-N 0 0 432.955 5.081 50 0 IKAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000033072808 556852565 /nfs/dbraw/zinc/85/25/65/556852565.db2.gz LMVUDEMQOXESNX-UHFFFAOYSA-N 0 0 445.523 5.190 50 0 IKAARN Cc1ccc(C)c(CSc2nc(CC(=O)Nc3nc4c(cccc4C)s3)cs2)c1 ZINC000008937711 556852901 /nfs/dbraw/zinc/85/29/01/556852901.db2.gz JQYJTGWZFGRHKB-UHFFFAOYSA-N 0 0 439.631 6.152 50 0 IKAARN C[C@@H]1CC[C@@H]2[C@]3(C)CO[C@@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000008952591 556853340 /nfs/dbraw/zinc/85/33/40/556853340.db2.gz CVOGMLCVYFNXLE-FZCPYZSDSA-N 0 0 440.580 5.188 50 0 biogenic IKAARN COc1ccc(NC(=O)c2sc3ncnc(N(C)C4CCCCC4)c3c2C)c(OC)c1 ZINC000033078861 556853893 /nfs/dbraw/zinc/85/38/93/556853893.db2.gz BLVXFEAXTYDWHH-UHFFFAOYSA-N 0 0 440.569 5.038 50 0 IKAARN Cc1ccc(CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2CC(C)C)cc1 ZINC000033076997 556854306 /nfs/dbraw/zinc/85/43/06/556854306.db2.gz FNRNIDAFSYIISI-UHFFFAOYSA-N 0 0 437.609 5.039 50 0 IKAARN C=Cc1ccc(CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2CC(C)C)cc1 ZINC000033077002 556854362 /nfs/dbraw/zinc/85/43/62/556854362.db2.gz OWEUWKFTWAEBBL-UHFFFAOYSA-N 0 0 449.620 5.374 50 0 IKAARN Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1C ZINC000033077520 556854534 /nfs/dbraw/zinc/85/45/34/556854534.db2.gz WGGNRBZCBJSLOH-UHFFFAOYSA-N 0 0 433.602 5.882 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000033085169 556855164 /nfs/dbraw/zinc/85/51/64/556855164.db2.gz PJEDMZFMPBEHBR-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)cc(OC)c1OC ZINC000033084471 556855491 /nfs/dbraw/zinc/85/54/91/556855491.db2.gz XLVUYLFDWGIGRG-UHFFFAOYSA-N 0 0 434.517 5.550 50 0 IKAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000033085759 556856684 /nfs/dbraw/zinc/85/66/84/556856684.db2.gz ZMXACRIUKWICLD-UHFFFAOYSA-N 0 0 436.490 5.669 50 0 IKAARN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccccc3)c21)c1ccccc1 ZINC000033085764 556856713 /nfs/dbraw/zinc/85/67/13/556856713.db2.gz VRRWPWFAVLGALW-QGZVFWFLSA-N 0 0 436.490 5.922 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cc(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085792 556856730 /nfs/dbraw/zinc/85/67/30/556856730.db2.gz QUFJEIJOIOQKCJ-UHFFFAOYSA-N 0 0 438.918 5.875 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085664 556856770 /nfs/dbraw/zinc/85/67/70/556856770.db2.gz MLLYDFNUQRJKJN-UHFFFAOYSA-N 0 0 444.535 5.229 50 0 IKAARN Cc1ccc(NC(=O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1Cl ZINC000033085928 556856937 /nfs/dbraw/zinc/85/69/37/556856937.db2.gz HJOUCFKXEHCARR-UHFFFAOYSA-N 0 0 438.314 5.312 50 0 IKAARN O=C(CCc1nc(CSc2nc(-c3cccs3)cs2)no1)Nc1ccccc1 ZINC000033087430 556857580 /nfs/dbraw/zinc/85/75/80/556857580.db2.gz YLBUYCYMSKWOJM-UHFFFAOYSA-N 0 0 428.564 5.118 50 0 IKAARN CC(C)c1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088594 556857953 /nfs/dbraw/zinc/85/79/53/556857953.db2.gz IJOJCGFWZCHHFK-UHFFFAOYSA-N 0 0 431.443 5.247 50 0 IKAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1 ZINC000033106141 556858476 /nfs/dbraw/zinc/85/84/76/556858476.db2.gz HQYQAUUVLLRRAB-UHFFFAOYSA-N 0 0 437.496 5.123 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N[C@H](C)Cc3ccco3)c3ccccc3n2)cc1 ZINC000033106288 556858488 /nfs/dbraw/zinc/85/84/88/556858488.db2.gz OFIVFAYXSAHWAS-QGZVFWFLSA-N 0 0 427.504 5.204 50 0 IKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccc(F)c3)c3ccccc3n2)cc1 ZINC000033106307 556858912 /nfs/dbraw/zinc/85/89/12/556858912.db2.gz HLPWLGUCASMYPN-UHFFFAOYSA-N 0 0 427.479 5.319 50 0 IKAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c(C)c1 ZINC000033106583 556859177 /nfs/dbraw/zinc/85/91/77/556859177.db2.gz IUQKAWUBQFIOCG-UHFFFAOYSA-N 0 0 439.563 5.056 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106559 556859252 /nfs/dbraw/zinc/85/92/52/556859252.db2.gz PBYIHRTTWMQMFS-UHFFFAOYSA-N 0 0 445.954 5.092 50 0 IKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1 ZINC000033113284 556859868 /nfs/dbraw/zinc/85/98/68/556859868.db2.gz WWBZEIPWBUAYPV-SFHVURJKSA-N 0 0 449.580 5.073 50 0 IKAARN COc1ccc(CC(=O)Nc2cccc(-c3ccc4cc(C(C)C)ccc4n3)c2)cc1OC ZINC000033113807 556860670 /nfs/dbraw/zinc/86/06/70/556860670.db2.gz HBCBWLHBWHZORY-UHFFFAOYSA-N 0 0 440.543 6.224 50 0 IKAARN O=C(CSc1nc(N2CCc3ccccc3C2)nc2ccccc21)Nc1ccccc1F ZINC000033114738 556861456 /nfs/dbraw/zinc/86/14/56/556861456.db2.gz OQBKKZRVPNRPLR-UHFFFAOYSA-N 0 0 444.535 5.062 50 0 IKAARN Cc1cccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCC(C)C)c1 ZINC000033114612 556861493 /nfs/dbraw/zinc/86/14/93/556861493.db2.gz RORDISHZYINXIE-UHFFFAOYSA-N 0 0 431.605 6.049 50 0 IKAARN O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)c1sc2ccccc2c1Cl ZINC000033114929 556861829 /nfs/dbraw/zinc/86/18/29/556861829.db2.gz AUFJOVMQXOCJLG-UHFFFAOYSA-N 0 0 447.745 5.209 50 0 IKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000033116285 556862078 /nfs/dbraw/zinc/86/20/78/556862078.db2.gz PSEIDZCYCBWGND-UHFFFAOYSA-N 0 0 441.600 5.206 50 0 IKAARN CCn1c(CCc2ccccc2NS(=O)(=O)c2ccc(C)cc2C)nc2ccccc21 ZINC000033116520 556862343 /nfs/dbraw/zinc/86/23/43/556862343.db2.gz PCDNDRULGMCCEO-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN O=S(=O)(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cccc(C(F)(F)F)c1 ZINC000033116555 556862441 /nfs/dbraw/zinc/86/24/41/556862441.db2.gz SAOVAOGKRNFABF-UHFFFAOYSA-N 0 0 445.466 5.168 50 0 IKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c1C ZINC000033116554 556862479 /nfs/dbraw/zinc/86/24/79/556862479.db2.gz DFTNXYDITVJZBL-UHFFFAOYSA-N 0 0 433.577 5.383 50 0 IKAARN CCn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000033116541 556862536 /nfs/dbraw/zinc/86/25/36/556862536.db2.gz JYFSZYRHALJUMN-UHFFFAOYSA-N 0 0 437.540 5.090 50 0 IKAARN Cc1cc(Sc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)n2ncnc2n1 ZINC000033122090 556863047 /nfs/dbraw/zinc/86/30/47/556863047.db2.gz OZVWIKZVOMFWPW-UHFFFAOYSA-N 0 0 428.880 5.020 50 0 IKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000033122187 556863245 /nfs/dbraw/zinc/86/32/45/556863245.db2.gz PRYBYYBOXFTVNF-UHFFFAOYSA-N 0 0 440.479 5.069 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000033122249 556863250 /nfs/dbraw/zinc/86/32/50/556863250.db2.gz IETAIFRNDRZUMD-UHFFFAOYSA-N 0 0 436.516 5.320 50 0 IKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000033122243 556863300 /nfs/dbraw/zinc/86/33/00/556863300.db2.gz SKZQKYTZEXLCQI-UHFFFAOYSA-N 0 0 432.553 5.489 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)s1 ZINC000033122946 556864008 /nfs/dbraw/zinc/86/40/08/556864008.db2.gz GTCMTCKNFKLHNK-UHFFFAOYSA-N 0 0 431.926 5.228 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC ZINC000033124112 556864269 /nfs/dbraw/zinc/86/42/69/556864269.db2.gz MQPAWOGCDKAFQG-UHFFFAOYSA-N 0 0 435.505 5.633 50 0 IKAARN CSc1cccc(NC(=S)N(C2CCN(C(C)=O)CC2)[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000004669800 556864835 /nfs/dbraw/zinc/86/48/35/556864835.db2.gz WCCRSQPMOJIRFA-DRSNIGMVSA-N 0 0 433.687 5.243 50 0 IKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc32)cc1 ZINC000033128677 556865660 /nfs/dbraw/zinc/86/56/60/556865660.db2.gz OSTCMCKOPDHVSU-UHFFFAOYSA-N 0 0 439.437 5.861 50 0 IKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(Cl)c3C)cc21 ZINC000033129200 556866158 /nfs/dbraw/zinc/86/61/58/556866158.db2.gz DZLSDSGFONUNLS-UHFFFAOYSA-N 0 0 431.923 6.906 50 0 IKAARN CCOc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000033125771 556866740 /nfs/dbraw/zinc/86/67/40/556866740.db2.gz VZGCJFUFVHGLOB-UHFFFAOYSA-N 0 0 444.963 5.194 50 0 IKAARN Cc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)c1 ZINC000033125779 556866746 /nfs/dbraw/zinc/86/67/46/556866746.db2.gz DPTIYKPLBIFFOJ-UHFFFAOYSA-N 0 0 428.964 5.413 50 0 IKAARN CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(Cl)cc3)cc2n1 ZINC000033126246 556867031 /nfs/dbraw/zinc/86/70/31/556867031.db2.gz GIBOTDIKHBESGA-UHFFFAOYSA-N 0 0 438.934 5.140 50 0 IKAARN CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(Cl)c3)cc2n1 ZINC000033126248 556867108 /nfs/dbraw/zinc/86/71/08/556867108.db2.gz HESGRXQGPZZPIZ-UHFFFAOYSA-N 0 0 438.934 5.140 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1Cl ZINC000033126803 556867374 /nfs/dbraw/zinc/86/73/74/556867374.db2.gz DHJVWELCGPKKMP-UHFFFAOYSA-N 0 0 448.950 5.694 50 0 IKAARN COCCNC(=O)c1[nH]c2c(cc(C)cc2NC(=O)Nc2ccccc2)c1-c1ccccc1 ZINC000033127280 556867818 /nfs/dbraw/zinc/86/78/18/556867818.db2.gz HHPYKXDOOQGAHL-UHFFFAOYSA-N 0 0 442.519 5.164 50 0 IKAARN COc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCCCCC2)cc1 ZINC000004672954 556868093 /nfs/dbraw/zinc/86/80/93/556868093.db2.gz YVKXJZDEJBMURB-VWLOTQADSA-N 0 0 426.601 5.243 50 0 IKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3cccc(SC)c3)cc21 ZINC000033129254 556868269 /nfs/dbraw/zinc/86/82/69/556868269.db2.gz CWUOBWFYPCJYQS-UHFFFAOYSA-N 0 0 449.963 6.930 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccccc3OC)cc21 ZINC000033129267 556868297 /nfs/dbraw/zinc/86/82/97/556868297.db2.gz PZZVTZDOMNKPQP-UHFFFAOYSA-N 0 0 447.922 6.607 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)c(C)c1 ZINC000033130027 556869851 /nfs/dbraw/zinc/86/98/51/556869851.db2.gz LNTDEQARODQCIN-UHFFFAOYSA-N 0 0 448.588 5.397 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4OC)n3)cc2)cc1 ZINC000033130371 556870333 /nfs/dbraw/zinc/87/03/33/556870333.db2.gz MSKRRQJCXKSVET-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)n2)cc1 ZINC000033130502 556870545 /nfs/dbraw/zinc/87/05/45/556870545.db2.gz CHTDHZNWBRCGCZ-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 IKAARN COc1cccc(NC(=O)c2cccc(-c3nccc(Oc4ccccc4OC)n3)c2)c1 ZINC000033130520 556870548 /nfs/dbraw/zinc/87/05/48/556870548.db2.gz XYJNQQALCDSNRI-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)n1 ZINC000033130524 556870561 /nfs/dbraw/zinc/87/05/61/556870561.db2.gz KTVJXDZLCWVWNQ-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3)c2)n1 ZINC000033130539 556870624 /nfs/dbraw/zinc/87/06/24/556870624.db2.gz SDIWISIOZSGDQT-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4C)c3)n2)cc1 ZINC000033130504 556870643 /nfs/dbraw/zinc/87/06/43/556870643.db2.gz QOMSMVVTYBVBKN-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(C)cc4C)c3)n2)c1 ZINC000033130584 556870868 /nfs/dbraw/zinc/87/08/68/556870868.db2.gz HUSQHKGUBMVNLZ-UHFFFAOYSA-N 0 0 425.488 5.814 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4cccc(C)c4)c3)n2)c1 ZINC000033130598 556870884 /nfs/dbraw/zinc/87/08/84/556870884.db2.gz NQZDFIITCASDMV-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)n2)c1 ZINC000033130565 556870918 /nfs/dbraw/zinc/87/09/18/556870918.db2.gz ZRKRGENECYJTKE-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1cccc(NC(=O)c2ccc(-c3ccc(Oc4ccccc4OC)nn3)cc2)c1 ZINC000033130864 556871120 /nfs/dbraw/zinc/87/11/20/556871120.db2.gz BRQQYNGHCWGGCG-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)NC3CCCCCC3)nc(N3CCCCC3)c12 ZINC000033130670 556871138 /nfs/dbraw/zinc/87/11/38/556871138.db2.gz GUTPIIGMXXQRJP-UHFFFAOYSA-N 0 0 445.611 5.480 50 0 IKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1 ZINC000033130935 556871306 /nfs/dbraw/zinc/87/13/06/556871306.db2.gz BJYAYXLVVCOPGV-UHFFFAOYSA-N 0 0 429.407 5.056 50 0 IKAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Oc4ccc(F)cc4)nn3)cc2)c(OC)c1 ZINC000033130944 556871333 /nfs/dbraw/zinc/87/13/33/556871333.db2.gz XCKRPJLAMMFXBW-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)cc1OC ZINC000033131086 556871671 /nfs/dbraw/zinc/87/16/71/556871671.db2.gz RXSCFZABIOLBQZ-UHFFFAOYSA-N 0 0 445.450 5.345 50 0 IKAARN CSc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4cccc(C)c4)n3)c2)cc1 ZINC000033139091 556872881 /nfs/dbraw/zinc/87/28/81/556872881.db2.gz HRCVZPIDJVWRII-UHFFFAOYSA-N 0 0 441.556 5.896 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(F)cc4)cn3)cc2)cc1 ZINC000033139287 556874046 /nfs/dbraw/zinc/87/40/46/556874046.db2.gz XIXIRHDHHROJHK-UHFFFAOYSA-N 0 0 429.451 5.726 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1OC ZINC000033139255 556874074 /nfs/dbraw/zinc/87/40/74/556874074.db2.gz PJRWFFWGMYCBLJ-UHFFFAOYSA-N 0 0 441.487 5.514 50 0 IKAARN O=C(NCc1ccccc1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139866 556874978 /nfs/dbraw/zinc/87/49/78/556874978.db2.gz VZIFJDRCNPIPCJ-UHFFFAOYSA-N 0 0 447.947 6.004 50 0 IKAARN O=C(NC1CCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139869 556875023 /nfs/dbraw/zinc/87/50/23/556875023.db2.gz XDFUCIUVOSDVJX-UHFFFAOYSA-N 0 0 425.941 5.746 50 0 IKAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1 ZINC000033139963 556875117 /nfs/dbraw/zinc/87/51/17/556875117.db2.gz QFABVUZFOUPMLL-UHFFFAOYSA-N 0 0 445.519 5.798 50 0 IKAARN C[C@H](NC(=O)c1ccc(Oc2nccnc2Sc2ccccc2)cc1)c1ccccc1 ZINC000033139987 556875163 /nfs/dbraw/zinc/87/51/63/556875163.db2.gz QDOIWPNCQJTMES-SFHVURJKSA-N 0 0 427.529 5.911 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139969 556875164 /nfs/dbraw/zinc/87/51/64/556875164.db2.gz FJWFSFDIPLRWGC-UHFFFAOYSA-N 0 0 447.947 6.004 50 0 IKAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NCc3ccccc3F)cc2)cc1 ZINC000033139959 556875168 /nfs/dbraw/zinc/87/51/68/556875168.db2.gz QYUIGVFOXDVAHM-UHFFFAOYSA-N 0 0 445.519 5.798 50 0 IKAARN Cc1ccccc1CNC(=O)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033140006 556875395 /nfs/dbraw/zinc/87/53/95/556875395.db2.gz VNMWBVJDFGHONL-UHFFFAOYSA-N 0 0 427.529 5.659 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139991 556875489 /nfs/dbraw/zinc/87/54/89/556875489.db2.gz CFPSKWOHOULDIC-UHFFFAOYSA-N 0 0 431.492 5.489 50 0 IKAARN CCOc1ccc(C2=C(CN3CCOCC3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000019721058 556876475 /nfs/dbraw/zinc/87/64/75/556876475.db2.gz NULFYNLVJABQEB-MHZLTWQESA-N 0 0 427.544 5.353 50 0 IKAARN Clc1ccc(OCCCCNc2cccc(OCCc3ccccc3)c2)c(Cl)c1 ZINC000019737464 556876884 /nfs/dbraw/zinc/87/68/84/556876884.db2.gz WXNHLIUEGDHRLT-UHFFFAOYSA-N 0 0 430.375 6.886 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-n2cnc(NC(=O)C3CC3)c2)cc1 ZINC000033140797 556876993 /nfs/dbraw/zinc/87/69/93/556876993.db2.gz WTICAVQZAPFZMC-UHFFFAOYSA-N 0 0 448.832 5.145 50 0 IKAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000033142041 556877350 /nfs/dbraw/zinc/87/73/50/556877350.db2.gz WZLTVBUECYATQB-UHFFFAOYSA-N 0 0 436.943 5.394 50 0 IKAARN CCOc1ccc(NC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)cc1 ZINC000033142091 556877672 /nfs/dbraw/zinc/87/76/72/556877672.db2.gz HXZAGYGXMJYVSK-UHFFFAOYSA-N 0 0 448.592 5.190 50 0 IKAARN O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000033141655 556877994 /nfs/dbraw/zinc/87/79/94/556877994.db2.gz RFRBMRNGEOQTEJ-UHFFFAOYSA-N 0 0 449.473 5.191 50 0 IKAARN CCC(C)(C)c1ccc(OCCCc2nc(-c3ccc(C)cc3)no2)c(C(C)(C)CC)c1 ZINC000004685118 556878793 /nfs/dbraw/zinc/87/87/93/556878793.db2.gz KZUHGMAAUJQIAM-UHFFFAOYSA-N 0 0 434.624 7.432 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4F)cc3)sc2c1 ZINC000033169227 556880474 /nfs/dbraw/zinc/88/04/74/556880474.db2.gz UXNSKDYCQWEATQ-UHFFFAOYSA-N 0 0 428.510 5.053 50 0 IKAARN O=C(c1ccco1)c1cn(-c2cccc(Cl)c2)nc1C(=O)c1nc2ccccc2s1 ZINC000071405176 556880641 /nfs/dbraw/zinc/88/06/41/556880641.db2.gz DHSNTRRBBPQCGJ-UHFFFAOYSA-N 0 0 433.876 5.190 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 ZINC000033168706 556880921 /nfs/dbraw/zinc/88/09/21/556880921.db2.gz RCQJNDRPARCKPC-TZIWHRDSSA-N 0 0 432.593 5.030 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169028 556881158 /nfs/dbraw/zinc/88/11/58/556881158.db2.gz UKEXAUOIJZAHLO-UHFFFAOYSA-N 0 0 442.993 6.370 50 0 IKAARN Cc1cc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)ccc1F ZINC000033169037 556881243 /nfs/dbraw/zinc/88/12/43/556881243.db2.gz MXWDGZBXRRCHLF-UHFFFAOYSA-N 0 0 432.929 5.865 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3Cl)sc2c1 ZINC000033169069 556881487 /nfs/dbraw/zinc/88/14/87/556881487.db2.gz XUEYSHUKYUUBGD-UHFFFAOYSA-N 0 0 448.928 5.565 50 0 IKAARN O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169151 556881509 /nfs/dbraw/zinc/88/15/09/556881509.db2.gz URVVXNIIHZZXEX-UHFFFAOYSA-N 0 0 432.929 5.698 50 0 IKAARN O=S(=O)(Cc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169056 556881542 /nfs/dbraw/zinc/88/15/42/556881542.db2.gz ONSQVHUGZWVUQP-UHFFFAOYSA-N 0 0 449.384 6.212 50 0 IKAARN Cc1ccc(C)c(-c2csc(Cc3nc(-c4ccc(Br)cc4)no3)n2)c1 ZINC000033171465 556882406 /nfs/dbraw/zinc/88/24/06/556882406.db2.gz OKAYNFYZSFTHHZ-UHFFFAOYSA-N 0 0 426.339 5.830 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)c1 ZINC000033171474 556882419 /nfs/dbraw/zinc/88/24/19/556882419.db2.gz MCWISCYRTGIZCO-UHFFFAOYSA-N 0 0 431.395 5.198 50 0 IKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)s1 ZINC000033171979 556882826 /nfs/dbraw/zinc/88/28/26/556882826.db2.gz IPCRSHQENNPTDW-UHFFFAOYSA-N 0 0 444.398 5.531 50 0 IKAARN CCCCOc1ccc(CNC(=O)C2CCN(c3nccc4sc(C)cc43)CC2)cc1 ZINC000033172010 556882882 /nfs/dbraw/zinc/88/28/82/556882882.db2.gz JXNNFSNFWBNHTN-UHFFFAOYSA-N 0 0 437.609 5.316 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c(C)c1 ZINC000033172661 556883063 /nfs/dbraw/zinc/88/30/63/556883063.db2.gz GDWMRYJKFRFTJJ-UHFFFAOYSA-N 0 0 437.544 5.136 50 0 IKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000033173534 556883674 /nfs/dbraw/zinc/88/36/74/556883674.db2.gz FKIMEARYWZJQHY-UHFFFAOYSA-N 0 0 428.476 5.092 50 0 IKAARN Cc1cc(NC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)ccc1Br ZINC000033174255 556884205 /nfs/dbraw/zinc/88/42/05/556884205.db2.gz CNIIDGVWSHVWCR-CQSZACIVSA-N 0 0 430.371 5.222 50 0 IKAARN COc1ccc(C)cc1NC(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3C)co2)cc1 ZINC000033169366 556884531 /nfs/dbraw/zinc/88/45/31/556884531.db2.gz ZIZRBMLJLVQMJA-UHFFFAOYSA-N 0 0 427.504 6.586 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1Cl ZINC000033170763 556886349 /nfs/dbraw/zinc/88/63/49/556886349.db2.gz FDIIMMZRZHUWRF-UHFFFAOYSA-N 0 0 438.915 5.174 50 0 IKAARN OC(c1ccccc1)([C@@H](c1ccccc1)c1ccccn1)[C@@H](c1ccccc1)c1ccccn1 ZINC000071767161 556887504 /nfs/dbraw/zinc/88/75/04/556887504.db2.gz ZEDBVJOWFKEYDR-KYJUHHDHSA-N 0 0 442.562 6.328 50 0 IKAARN CCCCCCN(Cc1ccccc1)C(=O)[C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000071770277 556888002 /nfs/dbraw/zinc/88/80/02/556888002.db2.gz PIXIMVKECQKBIL-DEOSSOPVSA-N 0 0 429.604 6.168 50 0 IKAARN c1cc2ccc1CCCc1ccc(cc1)CCc1ccc(cc1)CCCc1ccc(cc1)CC2 ZINC000071782863 556888329 /nfs/dbraw/zinc/88/83/29/556888329.db2.gz IZEZTRBWIKEJKI-UHFFFAOYSA-N 0 0 444.662 7.921 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)cc1 ZINC000071782708 556888352 /nfs/dbraw/zinc/88/83/52/556888352.db2.gz PJZGAAZFPXZCEF-UHFFFAOYSA-N 0 0 438.614 9.588 50 0 IKAARN CCCCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CCCC)cc3)n2)cc1 ZINC000004718276 556888798 /nfs/dbraw/zinc/88/87/98/556888798.db2.gz FEUPXVYOSVGIDY-UHFFFAOYSA-N 0 0 429.564 6.271 50 0 IKAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)cc1Cl ZINC000033250538 556891461 /nfs/dbraw/zinc/89/14/61/556891461.db2.gz KHCKRGTZEKMYGG-HNNXBMFYSA-N 0 0 445.972 5.204 50 0 IKAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)cc1Cl ZINC000033250539 556891568 /nfs/dbraw/zinc/89/15/68/556891568.db2.gz KHCKRGTZEKMYGG-OAHLLOKOSA-N 0 0 445.972 5.204 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251088 556891757 /nfs/dbraw/zinc/89/17/57/556891757.db2.gz BAXJQMAEVAILCJ-MRXNPFEDSA-N 0 0 437.849 5.275 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251176 556891910 /nfs/dbraw/zinc/89/19/10/556891910.db2.gz VDZSOWNJSSCQKZ-INIZCTEOSA-N 0 0 437.849 5.275 50 0 IKAARN COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000033252389 556892922 /nfs/dbraw/zinc/89/29/22/556892922.db2.gz PZEWXRHQNNHQIF-UHFFFAOYSA-N 0 0 435.867 5.327 50 0 IKAARN O=C(NC1CC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2Cl)cc1 ZINC000033252304 556892960 /nfs/dbraw/zinc/89/29/60/556892960.db2.gz MXIIALAWTFUHLV-UHFFFAOYSA-N 0 0 448.979 5.318 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)nc2ccccc21 ZINC000033252623 556893119 /nfs/dbraw/zinc/89/31/19/556893119.db2.gz MVWYUUSAKUCRKI-UHFFFAOYSA-N 0 0 426.520 5.052 50 0 IKAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)c2c1C ZINC000033252508 556893158 /nfs/dbraw/zinc/89/31/58/556893158.db2.gz QQUNMTREOOXYPS-HNNXBMFYSA-N 0 0 432.446 5.022 50 0 IKAARN CCn1c(CCc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)nc2ccccc21 ZINC000033252631 556893201 /nfs/dbraw/zinc/89/32/01/556893201.db2.gz BOYVZXNSTSOMLC-UHFFFAOYSA-N 0 0 437.547 5.289 50 0 IKAARN Cc1ccc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccccc5C)no4)c3)cc2)cc1 ZINC000033254875 556894665 /nfs/dbraw/zinc/89/46/65/556894665.db2.gz LRHBSWYHTWSWMP-UHFFFAOYSA-N 0 0 449.514 5.518 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1OC ZINC000033257011 556895493 /nfs/dbraw/zinc/89/54/93/556895493.db2.gz PUSZWJMDOOGOTH-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1cccc(Cl)c1C ZINC000033258583 556896326 /nfs/dbraw/zinc/89/63/26/556896326.db2.gz UXINWOZFIOUWMI-UHFFFAOYSA-N 0 0 447.926 5.712 50 0 IKAARN CCc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCCC5)n4)cc3)nc2C)cc1 ZINC000033258635 556896355 /nfs/dbraw/zinc/89/63/55/556896355.db2.gz PLZKKKMLTQFJRZ-UHFFFAOYSA-N 0 0 441.535 5.703 50 0 IKAARN CCc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)c1 ZINC000033258595 556896424 /nfs/dbraw/zinc/89/64/24/556896424.db2.gz WARJVAKXTVCXPK-UHFFFAOYSA-N 0 0 427.508 5.313 50 0 IKAARN CCc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)cc1 ZINC000033258574 556896454 /nfs/dbraw/zinc/89/64/54/556896454.db2.gz DWQSUVPPTIYPMK-UHFFFAOYSA-N 0 0 427.508 5.313 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(C)cc4C)cc3)nn2)c(C)c1C ZINC000072115849 556897925 /nfs/dbraw/zinc/89/79/25/556897925.db2.gz MATTUUQEGNDQKN-UHFFFAOYSA-N 0 0 441.539 5.592 50 0 IKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)n1 ZINC000072115547 556897929 /nfs/dbraw/zinc/89/79/29/556897929.db2.gz VHDQUXXSVOCYGY-UHFFFAOYSA-N 0 0 438.535 5.926 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)nn2)c(C)c1C ZINC000072117539 556898227 /nfs/dbraw/zinc/89/82/27/556898227.db2.gz IXGJBNPKOWRKTO-UHFFFAOYSA-N 0 0 427.512 5.284 50 0 IKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)ncn2)cc1 ZINC000033261017 556898229 /nfs/dbraw/zinc/89/82/29/556898229.db2.gz MEQRGYSBVHLUSO-UHFFFAOYSA-N 0 0 438.487 5.219 50 0 IKAARN CCOc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033261066 556898442 /nfs/dbraw/zinc/89/84/42/556898442.db2.gz NCGVJHZPXABOHO-UHFFFAOYSA-N 0 0 428.467 5.677 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)c(OC)c1 ZINC000033261076 556898484 /nfs/dbraw/zinc/89/84/84/556898484.db2.gz HBINOTUBQPZGIK-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN O=S(=O)(c1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000033261432 556900507 /nfs/dbraw/zinc/90/05/07/556900507.db2.gz RBWZASUERAQSOL-QHCPKHFHSA-N 0 0 440.927 5.297 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000072193878 556900672 /nfs/dbraw/zinc/90/06/72/556900672.db2.gz FRZOIZFBFBYKLX-DEOSSOPVSA-N 0 0 440.326 5.309 50 0 IKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(C)cc4)nn3)n2)cc1OC ZINC000033262446 556900677 /nfs/dbraw/zinc/90/06/77/556900677.db2.gz MTVLCRZXLLTKCU-UHFFFAOYSA-N 0 0 434.521 5.202 50 0 IKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(C(C)=O)c2)c1OC ZINC000019772268 556913160 /nfs/dbraw/zinc/91/31/60/556913160.db2.gz HYLQPRGSYLXKKM-MHZLTWQESA-N 0 0 440.543 5.535 50 0 IKAARN COc1cccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)c1OC ZINC000019773198 556913488 /nfs/dbraw/zinc/91/34/88/556913488.db2.gz LYGZCJMJAKLHKI-HSZRJFAPSA-N 0 0 441.612 5.426 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)c1 ZINC000019800560 556917420 /nfs/dbraw/zinc/91/74/20/556917420.db2.gz VNDXCIRJPYCTHW-GHTZIAJQSA-N 0 0 441.350 5.762 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)c1 ZINC000019800561 556917485 /nfs/dbraw/zinc/91/74/85/556917485.db2.gz VNDXCIRJPYCTHW-WIYYLYMNSA-N 0 0 441.350 5.762 50 0 IKAARN CCOc1ccc(C2=C(CN3CCOCC3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000019802687 556918050 /nfs/dbraw/zinc/91/80/50/556918050.db2.gz SDILMVGNWPKUBF-MHZLTWQESA-N 0 0 445.534 5.492 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1=Cc2ccccc2OC=C1 ZINC000019809871 556918577 /nfs/dbraw/zinc/91/85/77/556918577.db2.gz CXFUEPMFXXHASO-UHFFFAOYSA-N 0 0 435.476 5.659 50 0 IKAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccc(C)cc3)s1)=C2 ZINC000019809927 556918889 /nfs/dbraw/zinc/91/88/89/556918889.db2.gz YSUDUHXPVSYEGE-UHFFFAOYSA-N 0 0 438.936 5.633 50 0 IKAARN CCOc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000019810234 556918895 /nfs/dbraw/zinc/91/88/95/556918895.db2.gz DOBIXHJBGLAEGV-UHFFFAOYSA-N 0 0 431.561 5.942 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(SC/C=C/c3ccccc3)n2Cc2ccco2)cc1 ZINC000019810824 556919124 /nfs/dbraw/zinc/91/91/24/556919124.db2.gz SOYOYWIWQYIROD-DHZHZOJOSA-N 0 0 429.589 6.689 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2F)cc1 ZINC000019823042 556924682 /nfs/dbraw/zinc/92/46/82/556924682.db2.gz JPVOGCXRFJXQCB-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000019823199 556924899 /nfs/dbraw/zinc/92/48/99/556924899.db2.gz OTSYUAYTXMAMFG-UHFFFAOYSA-N 0 0 429.549 5.184 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2F)cc1 ZINC000019823144 556924904 /nfs/dbraw/zinc/92/49/04/556924904.db2.gz OCHMNNZSFYMHGP-UHFFFAOYSA-N 0 0 446.551 5.729 50 0 IKAARN COc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2cccnc2)cc1 ZINC000019823835 556925120 /nfs/dbraw/zinc/92/51/20/556925120.db2.gz KQSOTBFZSXFWIB-UHFFFAOYSA-N 0 0 443.359 5.937 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019823596 556925131 /nfs/dbraw/zinc/92/51/31/556925131.db2.gz YFANGJUYIWPDDQ-UHFFFAOYSA-N 0 0 448.994 5.431 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1 ZINC000019823674 556925247 /nfs/dbraw/zinc/92/52/47/556925247.db2.gz NRZKIOZMDHMFDD-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OC)cc1 ZINC000019824390 556925426 /nfs/dbraw/zinc/92/54/26/556925426.db2.gz IKKCBQDELKLSHT-UHFFFAOYSA-N 0 0 448.548 5.138 50 0 IKAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)cc1 ZINC000019824758 556925721 /nfs/dbraw/zinc/92/57/21/556925721.db2.gz WMCHIRZTYFSCBM-UHFFFAOYSA-N 0 0 434.590 5.597 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2cccs2)cc1 ZINC000019824677 556925741 /nfs/dbraw/zinc/92/57/41/556925741.db2.gz RARDMWHXNPGRNQ-UHFFFAOYSA-N 0 0 438.553 5.483 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019849727 556930428 /nfs/dbraw/zinc/93/04/28/556930428.db2.gz XLKVMADPKSYFGR-UHFFFAOYSA-N 0 0 432.567 5.901 50 0 IKAARN COc1ccc(C(=O)CSC2=NC(=Cc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000019878845 556936098 /nfs/dbraw/zinc/93/60/98/556936098.db2.gz QOALUJKOTUIDMD-CJLVFECKSA-N 0 0 428.513 5.055 50 0 IKAARN COc1ccccc1C(=O)c1cc(C(=O)c2ccccc2)c2cc(-c3ccccc3)ncn12 ZINC000019878407 556936127 /nfs/dbraw/zinc/93/61/27/556936127.db2.gz UAQHVQSYOFJRJZ-UHFFFAOYSA-N 0 0 432.479 5.472 50 0 IKAARN CC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2ccc(Cc3ccccc3)cc12 ZINC000019879437 556936547 /nfs/dbraw/zinc/93/65/47/556936547.db2.gz GABOCHAMUYZIMS-UHFFFAOYSA-N 0 0 429.519 6.631 50 0 IKAARN CCc1cc([C@H](c2cccc(F)c2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880698 556937064 /nfs/dbraw/zinc/93/70/64/556937064.db2.gz MJAQOJALZGXRLN-QHCPKHFHSA-N 0 0 437.584 5.039 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000019881440 556937407 /nfs/dbraw/zinc/93/74/07/556937407.db2.gz ZPHSCMHBYJWILW-LLVKDONJSA-N 0 0 427.136 5.180 50 0 IKAARN O=C(N[C@H](Nc1nc2ccc(Cl)cc2s1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000019893059 556939725 /nfs/dbraw/zinc/93/97/25/556939725.db2.gz LKWSJGYVRZPQPN-CQSZACIVSA-N 0 0 435.163 5.488 50 0 IKAARN O=C(c1ccccc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019893565 556940071 /nfs/dbraw/zinc/94/00/71/556940071.db2.gz DFWBJUZUJMINIE-NZQKXSOJSA-N 0 0 433.305 5.202 50 0 IKAARN Clc1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000019893590 556940084 /nfs/dbraw/zinc/94/00/84/556940084.db2.gz CEPQOTUQUFOCSG-YLJYHZDGSA-N 0 0 435.763 6.951 50 0 IKAARN Clc1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000019893503 556940090 /nfs/dbraw/zinc/94/00/90/556940090.db2.gz XFNLXYCLRZTDIB-IFMALSPDSA-N 0 0 429.734 6.889 50 0 IKAARN COc1ccccc1NC(=O)c1c(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1C ZINC000019894325 556940428 /nfs/dbraw/zinc/94/04/28/556940428.db2.gz KVAZXRPJFTUBPZ-UHFFFAOYSA-N 0 0 425.315 6.413 50 0 IKAARN O=C(Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccccc1)c1ccco1 ZINC000019898744 556941150 /nfs/dbraw/zinc/94/11/50/556941150.db2.gz SGMMECNIFIRWEO-DDJBQFQUSA-N 0 0 445.544 5.473 50 0 IKAARN COc1ccc(C2=C(C)S/C(=C3\SC(C)=C(c4ccc(OC)cc4)S3)S2)cc1 ZINC000019899061 556941407 /nfs/dbraw/zinc/94/14/07/556941407.db2.gz RQMNGIAKFIGDEH-DQRAZIAOSA-N 0 0 444.668 7.868 50 0 IKAARN c1ccc2sc(N3CN(Cc4cccnc4)CN(c4nc5ccccc5s4)C3)nc2c1 ZINC000019899730 556941625 /nfs/dbraw/zinc/94/16/25/556941625.db2.gz BZGCENQGLAJLCJ-UHFFFAOYSA-N 0 0 444.589 5.002 50 0 IKAARN Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@@H]2c1ccc(C(C)C)cc1 ZINC000019900821 556942088 /nfs/dbraw/zinc/94/20/88/556942088.db2.gz BTPULVLKVMVCHX-FQEVSTJZSA-N 0 0 442.350 6.129 50 0 IKAARN Cc1ccc(N2CCN(C[C@H](O)COc3ccc4ccccc4c3Cl)CC2)cc1Cl ZINC000019908860 556942737 /nfs/dbraw/zinc/94/27/37/556942737.db2.gz BOTZTPZHUIUQLN-FQEVSTJZSA-N 0 0 445.390 5.017 50 0 IKAARN FC(F)(F)Oc1ccc(Nc2ccnc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000019910254 556943042 /nfs/dbraw/zinc/94/30/42/556943042.db2.gz KZPZMNHPHDYEGH-UHFFFAOYSA-N 0 0 430.308 5.761 50 0 IKAARN FC(F)(F)c1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn32)c1 ZINC000019910192 556943126 /nfs/dbraw/zinc/94/31/26/556943126.db2.gz BUCYYTHTLOTHDJ-UHFFFAOYSA-N 0 0 425.233 5.301 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911345 556943384 /nfs/dbraw/zinc/94/33/84/556943384.db2.gz GBFXNIDBNCIZIC-UHFFFAOYSA-N 0 0 446.763 5.102 50 0 IKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1ccccc1Cl)O2 ZINC000019924593 556944625 /nfs/dbraw/zinc/94/46/25/556944625.db2.gz VVAKELWTLYPLHW-AOYPEHQESA-N 0 0 445.349 7.389 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc(-c3ccc(C)cc3C)cc12 ZINC000019924568 556944656 /nfs/dbraw/zinc/94/46/56/556944656.db2.gz ZQOVQMOVNMMLBD-UHFFFAOYSA-N 0 0 448.522 6.179 50 0 IKAARN C[C@H]1CCCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCC[C@H](C)C4)cc3)cc2)C1 ZINC000019925879 556944982 /nfs/dbraw/zinc/94/49/82/556944982.db2.gz MIACRZOCWZWERW-SFTDATJTSA-N 0 0 448.611 5.805 50 0 IKAARN COc1ccc(-c2csc3[nH]c(CNc4ccc(Br)cc4)nc(=O)c23)cc1 ZINC000019926602 556945021 /nfs/dbraw/zinc/94/50/21/556945021.db2.gz ANSYNTCWICXSDP-UHFFFAOYSA-N 0 0 442.338 5.035 50 0 IKAARN O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccc(Oc2ccccc2)cc1 ZINC000019958965 556954937 /nfs/dbraw/zinc/95/49/37/556954937.db2.gz IUYHIJVBISZXFZ-UHFFFAOYSA-N 0 0 446.510 5.136 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 ZINC000020005102 556957991 /nfs/dbraw/zinc/95/79/91/556957991.db2.gz XNHHCAYTVYULMV-LJQANCHMSA-N 0 0 449.601 5.483 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1Br ZINC000020005399 556958154 /nfs/dbraw/zinc/95/81/54/556958154.db2.gz YMMVOMURPLCZSY-UHFFFAOYSA-N 0 0 428.311 5.086 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 ZINC000020023717 556966167 /nfs/dbraw/zinc/96/61/67/556966167.db2.gz UBMYGKNMDJVFOR-UHFFFAOYSA-N 0 0 427.639 5.416 50 0 IKAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NCc1ccccc1 ZINC000020029475 556968421 /nfs/dbraw/zinc/96/84/21/556968421.db2.gz XICDLURVPKQXPH-UHFFFAOYSA-N 0 0 445.592 5.303 50 0 IKAARN CSc1nc(Cl)cc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000020031238 556968914 /nfs/dbraw/zinc/96/89/14/556968914.db2.gz QQFPWGQQAFIQHA-UHFFFAOYSA-N 0 0 446.954 5.042 50 0 IKAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)CCC4CCCCC4)cc3)nn2)c(C)c1C ZINC000072437329 556972600 /nfs/dbraw/zinc/97/26/00/556972600.db2.gz SWTJQMMAVSIWRU-UHFFFAOYSA-N 0 0 432.572 5.630 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)n1 ZINC000072437051 556972631 /nfs/dbraw/zinc/97/26/31/556972631.db2.gz ILVMCDUHGITTPT-UHFFFAOYSA-N 0 0 434.519 5.610 50 0 IKAARN COc1ccccc1NC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 ZINC000072437737 556973103 /nfs/dbraw/zinc/97/31/03/556973103.db2.gz HPXBORNJUPCWRK-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN CC(=O)Nc1cc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)ccc1C ZINC000033264684 556974477 /nfs/dbraw/zinc/97/44/77/556974477.db2.gz WNUAALPKZZDTDA-UHFFFAOYSA-N 0 0 429.505 5.379 50 0 IKAARN Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000033265115 556975065 /nfs/dbraw/zinc/97/50/65/556975065.db2.gz BANWCKIBDFVYJD-UHFFFAOYSA-N 0 0 442.544 5.164 50 0 IKAARN Cc1ccc(OCCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 ZINC000020058997 556975509 /nfs/dbraw/zinc/97/55/09/556975509.db2.gz AFMIRJYESFBVCR-UHFFFAOYSA-N 0 0 440.259 5.926 50 0 IKAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020058989 556975540 /nfs/dbraw/zinc/97/55/40/556975540.db2.gz MFEDTFBAOZQMPM-BXKMTCNYSA-N 0 0 441.487 5.221 50 0 IKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCCc1ccccc1)CCCC3 ZINC000033265507 556976105 /nfs/dbraw/zinc/97/61/05/556976105.db2.gz QCONKENGZFSXHE-DEOSSOPVSA-N 0 0 433.621 5.883 50 0 IKAARN CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033265559 556976125 /nfs/dbraw/zinc/97/61/25/556976125.db2.gz JYORTPSUFZYSFU-INIZCTEOSA-N 0 0 449.576 5.703 50 0 IKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1CC)CCCC3 ZINC000033265530 556976186 /nfs/dbraw/zinc/97/61/86/556976186.db2.gz GIFFRARLHQXGDA-HXUWFJFHSA-N 0 0 435.593 6.315 50 0 IKAARN CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)cc1 ZINC000033265497 556976202 /nfs/dbraw/zinc/97/62/02/556976202.db2.gz SGZLSGFDLJSASU-DEOSSOPVSA-N 0 0 449.620 6.561 50 0 IKAARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c(OC)c1 ZINC000033265582 556976287 /nfs/dbraw/zinc/97/62/87/556976287.db2.gz BLLUXFQGVIHKTK-OAHLLOKOSA-N 0 0 437.565 5.544 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000033265567 556976325 /nfs/dbraw/zinc/97/63/25/556976325.db2.gz UNKIKDGLNZABMQ-INIZCTEOSA-N 0 0 449.576 5.703 50 0 IKAARN CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCN(Cc1ccccc1)C3 ZINC000020065107 556978187 /nfs/dbraw/zinc/97/81/87/556978187.db2.gz MHTFTVGVBRWNJU-UHFFFAOYSA-N 0 0 447.629 5.426 50 0 IKAARN CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000020085944 556978996 /nfs/dbraw/zinc/97/89/96/556978996.db2.gz BYYWEIYBQNVJNG-HRJZJZEUSA-N 0 0 436.502 6.028 50 0 IKAARN CCCc1noc([C@@H](C)SC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)n1 ZINC000097002865 556979007 /nfs/dbraw/zinc/97/90/07/556979007.db2.gz LZJRVRFCGSWAEH-WBFOAEISSA-N 0 0 436.512 5.399 50 0 IKAARN Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3C2=O)cc1 ZINC000020095914 556979770 /nfs/dbraw/zinc/97/97/70/556979770.db2.gz DTHRHJKZCKYNAU-UHFFFAOYSA-N 0 0 425.271 5.355 50 0 IKAARN CC[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(OC)cc1 ZINC000011237938 556979781 /nfs/dbraw/zinc/97/97/81/556979781.db2.gz MLFLPZYMHRCTKE-DEOSSOPVSA-N 0 0 440.543 6.217 50 0 IKAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267223 556980127 /nfs/dbraw/zinc/98/01/27/556980127.db2.gz LGCIJYLWRILWII-UHFFFAOYSA-N 0 0 426.907 5.404 50 0 IKAARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(N2CCOCC2)cc1 ZINC000020100725 556980372 /nfs/dbraw/zinc/98/03/72/556980372.db2.gz SKTRAOZWULKIGS-PKNBQFBNSA-N 0 0 443.330 5.742 50 0 IKAARN Cc1c(C)n(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000020103007 556980738 /nfs/dbraw/zinc/98/07/38/556980738.db2.gz SXRWXQKSDZTXCD-UHFFFAOYSA-N 0 0 437.587 5.306 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000033267767 556982099 /nfs/dbraw/zinc/98/20/99/556982099.db2.gz TXSZPLKDKVWXLO-OAQYLSRUSA-N 0 0 429.520 5.447 50 0 IKAARN COc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033267771 556982172 /nfs/dbraw/zinc/98/21/72/556982172.db2.gz RZLYGLJCBRJNEL-OAQYLSRUSA-N 0 0 429.520 5.447 50 0 IKAARN COc1ccc([C@H](CNC(=O)Nc2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000033267772 556982186 /nfs/dbraw/zinc/98/21/86/556982186.db2.gz RZLYGLJCBRJNEL-NRFANRHFSA-N 0 0 429.520 5.447 50 0 IKAARN CC(=O)N(c1nc(/C=C/C(=O)N2CCCc3cc(F)cc(F)c32)cs1)c1ccccc1 ZINC000071973579 556983054 /nfs/dbraw/zinc/98/30/54/556983054.db2.gz QHTXYIIOEIUQGK-MDZDMXLPSA-N 0 0 439.487 5.099 50 0 IKAARN CCOC(=O)c1ccccc1N[C@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000033268282 556983729 /nfs/dbraw/zinc/98/37/29/556983729.db2.gz SXRTVBULVYLGQE-NRFANRHFSA-N 0 0 433.895 5.768 50 0 IKAARN O=C(Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1)c1ccccc1 ZINC000023042566 556985817 /nfs/dbraw/zinc/98/58/17/556985817.db2.gz IKFPJYXNAZZBSS-UHFFFAOYSA-N 0 0 434.926 7.475 50 0 IKAARN Cc1cc(SCC(=O)N[C@H]2CCCc3ccccc32)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268974 556986831 /nfs/dbraw/zinc/98/68/31/556986831.db2.gz POQSWQWCKIHGGR-QFIPXVFZSA-N 0 0 446.551 5.130 50 0 IKAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000033269012 556987028 /nfs/dbraw/zinc/98/70/28/556987028.db2.gz JKUJCOINLFFNQU-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000033269026 556987064 /nfs/dbraw/zinc/98/70/64/556987064.db2.gz BPAQMLJNNMLZJL-UHFFFAOYSA-N 0 0 432.549 5.061 50 0 IKAARN CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000097105024 556987638 /nfs/dbraw/zinc/98/76/38/556987638.db2.gz SNSLVNWGPKLIME-HSZRJFAPSA-N 0 0 440.503 5.229 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000097105091 556987669 /nfs/dbraw/zinc/98/76/69/556987669.db2.gz AVWJONZZGZTIHK-XMMPIXPASA-N 0 0 430.577 5.309 50 0 IKAARN CCCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020130446 556987683 /nfs/dbraw/zinc/98/76/83/556987683.db2.gz XUOPURGJCRZKII-UHFFFAOYSA-N 0 0 425.602 5.293 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097111384 556990050 /nfs/dbraw/zinc/99/00/50/556990050.db2.gz PGTVHKRICJQRDX-INIZCTEOSA-N 0 0 441.413 5.189 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097111381 556990072 /nfs/dbraw/zinc/99/00/72/556990072.db2.gz PGTVHKRICJQRDX-MRXNPFEDSA-N 0 0 441.413 5.189 50 0 IKAARN CCCCN(CC)C(=O)/C(=C/c1ccc(OCc2ccccc2)cc1)n1ccccc1=O ZINC000020169291 556994671 /nfs/dbraw/zinc/99/46/71/556994671.db2.gz RDBIZSXCCZQCPI-QQTULTPQSA-N 0 0 430.548 5.074 50 0 IKAARN O=C(c1ccc(Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)cc1)N1CCCC1 ZINC000097165870 556994802 /nfs/dbraw/zinc/99/48/02/556994802.db2.gz GRWTXTUJFYEKRV-UHFFFAOYSA-N 0 0 428.923 5.930 50 0 IKAARN CCCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=N ZINC000020291642 557006008 /nfs/dbraw/zinc/00/60/08/557006008.db2.gz ULDNMMRJUXFKPW-QGZVFWFLSA-N 0 0 436.383 5.249 50 0 IKAARN COc1ccc(NC(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c(OC)c1 ZINC000020294318 557006215 /nfs/dbraw/zinc/00/62/15/557006215.db2.gz IQSKGLKDFVKRGQ-UHFFFAOYSA-N 0 0 449.338 5.516 50 0 IKAARN COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2C)c(OC)c1 ZINC000020294396 557006286 /nfs/dbraw/zinc/00/62/86/557006286.db2.gz ZXAGAORYLKWHSW-UHFFFAOYSA-N 0 0 449.338 5.516 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000023125761 557007419 /nfs/dbraw/zinc/00/74/19/557007419.db2.gz CIZGUDWKOMMQRX-UHFFFAOYSA-N 0 0 428.579 5.005 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1COC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C ZINC000023126391 557007893 /nfs/dbraw/zinc/00/78/93/557007893.db2.gz CIPYXHLONMWXAR-UHFFFAOYSA-N 0 0 436.899 5.166 50 0 IKAARN Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000020343029 557008389 /nfs/dbraw/zinc/00/83/89/557008389.db2.gz YRTKHLOZKCOENM-UHFFFAOYSA-N 0 0 449.923 5.018 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000020344682 557008692 /nfs/dbraw/zinc/00/86/92/557008692.db2.gz ZNDLRPRUPGZFSN-UHFFFAOYSA-N 0 0 437.992 7.636 50 0 IKAARN Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Br ZINC000020347250 557008718 /nfs/dbraw/zinc/00/87/18/557008718.db2.gz SYLKNNIABJGXSM-UHFFFAOYSA-N 0 0 449.392 5.305 50 0 IKAARN CCCCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020347267 557009233 /nfs/dbraw/zinc/00/92/33/557009233.db2.gz MONQEJSEXVZTOD-UHFFFAOYSA-N 0 0 442.603 5.803 50 0 IKAARN COc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)ccc1N1CCCC1=O ZINC000011259085 557010109 /nfs/dbraw/zinc/01/01/09/557010109.db2.gz QKWWSHVIHXGSLJ-XMMPIXPASA-N 0 0 432.545 5.294 50 0 IKAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2nc3c(cccc3C)s2)c1C ZINC000020356080 557010311 /nfs/dbraw/zinc/01/03/11/557010311.db2.gz IQCGWBPURQHFPQ-UHFFFAOYSA-N 0 0 447.560 5.505 50 0 IKAARN O=C(CN1CCC[C@H]1CC(=O)c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000079025769 557010904 /nfs/dbraw/zinc/01/09/04/557010904.db2.gz SJDFKPZYKCYMQO-LBPRGKRZSA-N 0 0 431.772 5.384 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c(C)c1 ZINC000023127018 557011639 /nfs/dbraw/zinc/01/16/39/557011639.db2.gz BSEGNOZXKLVMQW-UHFFFAOYSA-N 0 0 435.574 5.010 50 0 IKAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1nc(-c2ccccc2)no1 ZINC000023127070 557011879 /nfs/dbraw/zinc/01/18/79/557011879.db2.gz COHCZIPKGJSVIQ-UHFFFAOYSA-N 0 0 432.530 5.004 50 0 IKAARN C[C@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020386545 557012409 /nfs/dbraw/zinc/01/24/09/557012409.db2.gz USEVJXUDAHBZHA-GAQQMNMRSA-N 0 0 430.342 5.150 50 0 IKAARN C[C@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020386532 557012427 /nfs/dbraw/zinc/01/24/27/557012427.db2.gz USEVJXUDAHBZHA-JQOQJDEVSA-N 0 0 430.342 5.150 50 0 IKAARN CSc1nc2sc3c(c2c(SCc2c(Cl)cccc2Cl)n1)CCN(C)C3 ZINC000020390955 557012808 /nfs/dbraw/zinc/01/28/08/557012808.db2.gz WJBQSDPPSUUQSE-UHFFFAOYSA-N 0 0 442.462 6.000 50 0 IKAARN O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000096998770 557012757 /nfs/dbraw/zinc/01/27/57/557012757.db2.gz TXIWPUXJWDAZRI-UHFFFAOYSA-N 0 0 429.332 5.233 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1C ZINC000020394744 557013129 /nfs/dbraw/zinc/01/31/29/557013129.db2.gz OOGLMRSWEQZGPN-NRFANRHFSA-N 0 0 432.911 5.918 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1F ZINC000020395516 557013361 /nfs/dbraw/zinc/01/33/61/557013361.db2.gz AUTVOJASWMLWCW-UHFFFAOYSA-N 0 0 434.496 6.120 50 0 IKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020395738 557013367 /nfs/dbraw/zinc/01/33/67/557013367.db2.gz UBDSJPXIMOJFDL-UHFFFAOYSA-N 0 0 431.970 5.258 50 0 IKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1F ZINC000020395504 557013406 /nfs/dbraw/zinc/01/34/06/557013406.db2.gz XAAOOKAGQFMRPF-FQEVSTJZSA-N 0 0 436.874 5.749 50 0 IKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1F ZINC000020395507 557013461 /nfs/dbraw/zinc/01/34/61/557013461.db2.gz XAAOOKAGQFMRPF-HXUWFJFHSA-N 0 0 436.874 5.749 50 0 IKAARN Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000020407638 557013838 /nfs/dbraw/zinc/01/38/38/557013838.db2.gz RWJZGZRBFTVMFV-UHFFFAOYSA-N 0 0 449.598 5.785 50 0 IKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1 ZINC000020419123 557015153 /nfs/dbraw/zinc/01/51/53/557015153.db2.gz RPBDKKFIPHXEDQ-UHFFFAOYSA-N 0 0 432.549 5.307 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3cc(C)ccc3C)cc(C(F)(F)F)c12 ZINC000045995405 557015233 /nfs/dbraw/zinc/01/52/33/557015233.db2.gz GVFZJXMENFTJEH-UHFFFAOYSA-N 0 0 425.454 6.252 50 0 IKAARN Cc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)Nc4ccccc4)cc(C)c23)c1 ZINC000045986577 557015850 /nfs/dbraw/zinc/01/58/50/557015850.db2.gz OQLVVNKWODEDKZ-UHFFFAOYSA-N 0 0 448.526 5.722 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C)c12 ZINC000045990543 557016141 /nfs/dbraw/zinc/01/61/41/557016141.db2.gz RNLOBKLEXONYGT-KRWDZBQOSA-N 0 0 448.954 5.255 50 0 IKAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(C(C)C)cc2)cc3C)cc1 ZINC000045990715 557016412 /nfs/dbraw/zinc/01/64/12/557016412.db2.gz XOEGSVBBRORVCR-UHFFFAOYSA-N 0 0 442.563 5.741 50 0 IKAARN O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000020436566 557016644 /nfs/dbraw/zinc/01/66/44/557016644.db2.gz DEXHUOWQYFTVIC-UHFFFAOYSA-N 0 0 436.396 5.089 50 0 IKAARN CCc1cccc(C)c1NC(=O)COc1cc(C)c2c(C)nn(-c3cccc(F)c3)c2n1 ZINC000045991005 557016692 /nfs/dbraw/zinc/01/66/92/557016692.db2.gz OEEATJJRTWSTLU-UHFFFAOYSA-N 0 0 432.499 5.065 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1cccc(Cl)c1C)cc2-c1ccccc1 ZINC000045992326 557017884 /nfs/dbraw/zinc/01/78/84/557017884.db2.gz UZRPNNFUAXKMQQ-QGZVFWFLSA-N 0 0 448.954 5.794 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1ccc(C)cc1C)cc2-c1ccccc1 ZINC000045992338 557017894 /nfs/dbraw/zinc/01/78/94/557017894.db2.gz DAWSNJUBVFEUIE-LJQANCHMSA-N 0 0 428.536 5.449 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)cc2-c1ccccc1 ZINC000045992359 557017963 /nfs/dbraw/zinc/01/79/63/557017963.db2.gz HNCRXHNQPCCCFO-FQEVSTJZSA-N 0 0 442.563 5.758 50 0 IKAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(CC)c3n2)cc1 ZINC000045992305 557017972 /nfs/dbraw/zinc/01/79/72/557017972.db2.gz VZJXENPWTDVGNV-SFHVURJKSA-N 0 0 444.535 5.231 50 0 IKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1cc(C)cc(C)c1)cc2-c1ccccc1 ZINC000045992365 557018165 /nfs/dbraw/zinc/01/81/65/557018165.db2.gz NIQDGQRZENYHNH-IBGZPJMESA-N 0 0 428.536 5.449 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000046012206 557018478 /nfs/dbraw/zinc/01/84/78/557018478.db2.gz AXAPCUOBRCGGLJ-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000046012324 557018739 /nfs/dbraw/zinc/01/87/39/557018739.db2.gz SMVYQKKKZFXFOW-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000046012272 557018752 /nfs/dbraw/zinc/01/87/52/557018752.db2.gz QDILCVCXRKQWAG-UHFFFAOYSA-N 0 0 429.476 5.047 50 0 IKAARN CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000046012339 557018794 /nfs/dbraw/zinc/01/87/94/557018794.db2.gz KHMMRFDKLLMLLE-UHFFFAOYSA-N 0 0 449.894 5.473 50 0 IKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000010691289 557018741 /nfs/dbraw/zinc/01/87/41/557018741.db2.gz CKHYVRQARVNVJJ-FQEVSTJZSA-N 0 0 441.556 5.164 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2ccccc2)cc1 ZINC000046012606 557019203 /nfs/dbraw/zinc/01/92/03/557019203.db2.gz PYRQJQFIARFQEW-UHFFFAOYSA-N 0 0 438.409 5.214 50 0 IKAARN COc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)cc1OC ZINC000046004934 557019327 /nfs/dbraw/zinc/01/93/27/557019327.db2.gz XLXXETVGYBPFND-UHFFFAOYSA-N 0 0 436.508 5.055 50 0 IKAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(-c2cccs2)n1C ZINC000010710535 557019737 /nfs/dbraw/zinc/01/97/37/557019737.db2.gz OYEULSOHYMWZHX-UHFFFAOYSA-N 0 0 433.555 5.366 50 0 IKAARN Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)cc1C ZINC000010702610 557019849 /nfs/dbraw/zinc/01/98/49/557019849.db2.gz BFGXWTCCVAONSC-HNNXBMFYSA-N 0 0 446.641 6.948 50 0 IKAARN CCc1cc(OCC(=O)Nc2ccc(C)cc2C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017082 557020101 /nfs/dbraw/zinc/02/01/01/557020101.db2.gz YILVESGCHWZPOK-UHFFFAOYSA-N 0 0 428.536 5.234 50 0 IKAARN CCc1cc(OCC(=O)Nc2cc(Cl)ccc2C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017140 557020457 /nfs/dbraw/zinc/02/04/57/557020457.db2.gz OXWDHQSTBFNJPN-UHFFFAOYSA-N 0 0 448.954 5.579 50 0 IKAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000046018766 557020814 /nfs/dbraw/zinc/02/08/14/557020814.db2.gz FNPVUIXSVMMRJP-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001436375 557020950 /nfs/dbraw/zinc/02/09/50/557020950.db2.gz QYLOFNOQWXRRBK-XMMPIXPASA-N 0 0 427.548 5.335 50 0 IKAARN CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001436374 557021154 /nfs/dbraw/zinc/02/11/54/557021154.db2.gz QYLOFNOQWXRRBK-DEOSSOPVSA-N 0 0 427.548 5.335 50 0 IKAARN Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000010730275 557021740 /nfs/dbraw/zinc/02/17/40/557021740.db2.gz RUDBGMAXIUFSMF-MRXNPFEDSA-N 0 0 449.967 5.410 50 0 IKAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1cccc(C(F)(F)F)c1 ZINC000046022236 557022039 /nfs/dbraw/zinc/02/20/39/557022039.db2.gz ZKDKWOLWZXAECH-UHFFFAOYSA-N 0 0 437.512 5.610 50 0 IKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c(C)c1 ZINC000046022393 557022201 /nfs/dbraw/zinc/02/22/01/557022201.db2.gz OIMFCBSHYFWLNY-UHFFFAOYSA-N 0 0 425.623 5.989 50 0 IKAARN CCc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1 ZINC000046022429 557022256 /nfs/dbraw/zinc/02/22/56/557022256.db2.gz FLWGXZPGILUFGK-UHFFFAOYSA-N 0 0 425.623 5.934 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000072028813 557022230 /nfs/dbraw/zinc/02/22/30/557022230.db2.gz WVYFTJGFTBHTCT-UHFFFAOYSA-N 0 0 437.858 6.191 50 0 IKAARN CCOc1ccc(OCC)c(Nc2c3c(nc4nc(-c5ccc(C)cc5)nn42)CCCC3)c1 ZINC000046022849 557022607 /nfs/dbraw/zinc/02/26/07/557022607.db2.gz NSAIOWPGTYMAAN-UHFFFAOYSA-N 0 0 443.551 5.520 50 0 IKAARN Cc1ccnc(N[C@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)c1 ZINC000043220772 557022816 /nfs/dbraw/zinc/02/28/16/557022816.db2.gz MMWUPEHSAJYZSN-JOCHJYFZSA-N 0 0 449.601 6.439 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccccc2C)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016473 557022919 /nfs/dbraw/zinc/02/29/19/557022919.db2.gz HYAAEBKCEFIALU-UHFFFAOYSA-N 0 0 448.526 5.722 50 0 IKAARN Cc1cc(OCC(=O)NC2CCCCC2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016505 557022929 /nfs/dbraw/zinc/02/29/29/557022929.db2.gz HKUHYHOFOQWQJI-UHFFFAOYSA-N 0 0 440.547 5.224 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3ccccc3)cc(-c3ccccc3)c12 ZINC000046016610 557022947 /nfs/dbraw/zinc/02/29/47/557022947.db2.gz LRXTVMCXEYRHOO-UHFFFAOYSA-N 0 0 434.499 5.413 50 0 IKAARN Cc1ccc(NC(=O)COc2cc(C)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1 ZINC000046016482 557022977 /nfs/dbraw/zinc/02/29/77/557022977.db2.gz UMKXXROKTGUXPP-UHFFFAOYSA-N 0 0 448.526 5.722 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3ccccc3C)cc(-c3ccccc3)c12 ZINC000046016619 557023001 /nfs/dbraw/zinc/02/30/01/557023001.db2.gz YVHWLBAPNPLSSB-UHFFFAOYSA-N 0 0 448.526 5.722 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(Br)c4)n3)oc21 ZINC000010749401 557023887 /nfs/dbraw/zinc/02/38/87/557023887.db2.gz GWVYHERSOGDTPB-UHFFFAOYSA-N 0 0 443.322 5.970 50 0 IKAARN CCOc1cccc2cc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)oc21 ZINC000010749723 557023997 /nfs/dbraw/zinc/02/39/97/557023997.db2.gz NTCAIOOTTMGUDL-UHFFFAOYSA-N 0 0 428.897 5.626 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043804 557025102 /nfs/dbraw/zinc/02/51/02/557025102.db2.gz RUQMOHVJJDOVOA-CQSZACIVSA-N 0 0 444.375 5.215 50 0 IKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000046044995 557025489 /nfs/dbraw/zinc/02/54/89/557025489.db2.gz LPNTUKDFQFNOMX-LJQANCHMSA-N 0 0 440.465 5.278 50 0 IKAARN O=C(c1cc(Cl)ccc1Cl)N(CCn1cccn1)c1nc2c(cccc2F)s1 ZINC000023144895 557026554 /nfs/dbraw/zinc/02/65/54/557026554.db2.gz WWDYVNAZMTUOAB-UHFFFAOYSA-N 0 0 435.311 5.286 50 0 IKAARN CC(=O)Nc1ccccc1OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000010801034 557027694 /nfs/dbraw/zinc/02/76/94/557027694.db2.gz FRDWJMPEEOJIOA-UHFFFAOYSA-N 0 0 426.925 5.467 50 0 IKAARN COc1cc(CCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc(OC)c1OC ZINC000010802796 557028010 /nfs/dbraw/zinc/02/80/10/557028010.db2.gz XOGPDAZFIJDJBF-RUZDIDTESA-N 0 0 437.511 5.032 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046056854 557028331 /nfs/dbraw/zinc/02/83/31/557028331.db2.gz YZVWHVLHCUFSPR-DEOSSOPVSA-N 0 0 441.575 6.154 50 0 IKAARN NS(=O)(=O)c1ccc(-c2nc(-c3c4ccccc4[nH]c3-c3ccccc3)cs2)cc1 ZINC000072085529 557028955 /nfs/dbraw/zinc/02/89/55/557028955.db2.gz WXORKBDTDXIAKZ-UHFFFAOYSA-N 0 0 431.542 5.273 50 0 IKAARN Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046057223 557029067 /nfs/dbraw/zinc/02/90/67/557029067.db2.gz NJIVCPGZTDNDST-FQEVSTJZSA-N 0 0 449.501 5.815 50 0 IKAARN Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](C(=O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046057226 557029123 /nfs/dbraw/zinc/02/91/23/557029123.db2.gz NJIVCPGZTDNDST-HXUWFJFHSA-N 0 0 449.501 5.815 50 0 IKAARN CCN(c1ccc2sc(C(=O)NC3CCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000046059050 557029736 /nfs/dbraw/zinc/02/97/36/557029736.db2.gz ADRXBIULVVRBPD-UHFFFAOYSA-N 0 0 442.606 5.097 50 0 IKAARN CN(c1ccc2sc(C(=O)NC3CCCC3)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000046058775 557029842 /nfs/dbraw/zinc/02/98/42/557029842.db2.gz YALXWQQNAYNQAO-UHFFFAOYSA-N 0 0 448.997 5.052 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cc(Br)ccc2F)cc1 ZINC000046076371 557032508 /nfs/dbraw/zinc/03/25/08/557032508.db2.gz SXZOXYLBRLKJNU-OAHLLOKOSA-N 0 0 432.314 5.799 50 0 IKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)ccc1OCC(C)C ZINC000046076674 557032672 /nfs/dbraw/zinc/03/26/72/557032672.db2.gz CMNIEYSMZXGPFZ-QGZVFWFLSA-N 0 0 425.525 6.072 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)ccc1OCC(C)C ZINC000046076888 557032677 /nfs/dbraw/zinc/03/26/77/557032677.db2.gz BCSFXOPPAWSLNH-SFHVURJKSA-N 0 0 425.525 6.072 50 0 IKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(Br)ccc2OC)cc1 ZINC000046076465 557032699 /nfs/dbraw/zinc/03/26/99/557032699.db2.gz RJNMJHSZHVPTCA-INIZCTEOSA-N 0 0 444.350 5.669 50 0 IKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OCC ZINC000046077099 557032728 /nfs/dbraw/zinc/03/27/28/557032728.db2.gz AGBZDVNAPATPDT-GOSISDBHSA-N 0 0 425.525 6.216 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)ccc1OCC(C)C ZINC000046077128 557033086 /nfs/dbraw/zinc/03/30/86/557033086.db2.gz KDTFTYKFQGUIOP-SFHVURJKSA-N 0 0 425.525 6.072 50 0 IKAARN Cc1ccc2c(c1)Oc1ccc(S(=O)(=O)N(C)c3c(C)cc(C)cc3C)cc1C(=O)N2 ZINC000046077619 557033229 /nfs/dbraw/zinc/03/32/29/557033229.db2.gz NQNBZCWAOZPVKF-UHFFFAOYSA-N 0 0 436.533 5.103 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046079009 557033796 /nfs/dbraw/zinc/03/37/96/557033796.db2.gz DZKZLZPGDYLKOZ-UHFFFAOYSA-N 0 0 438.886 5.333 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000046078886 557033837 /nfs/dbraw/zinc/03/38/37/557033837.db2.gz MXGUQAUAJYRCMX-UHFFFAOYSA-N 0 0 434.923 5.584 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000046078907 557033849 /nfs/dbraw/zinc/03/38/49/557033849.db2.gz JNCRTAOKQKHQCN-UHFFFAOYSA-N 0 0 447.922 5.144 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000046078813 557033856 /nfs/dbraw/zinc/03/38/56/557033856.db2.gz UUIVZTXOABHNBK-UHFFFAOYSA-N 0 0 447.922 5.144 50 0 IKAARN COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1C ZINC000017180015 557034047 /nfs/dbraw/zinc/03/40/47/557034047.db2.gz BMXICPDOABEZDN-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1=O ZINC000046079390 557034406 /nfs/dbraw/zinc/03/44/06/557034406.db2.gz BUEJUYJPPDGKOC-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)C2=O)cc1 ZINC000046079452 557034428 /nfs/dbraw/zinc/03/44/28/557034428.db2.gz XNYHVTVHBMNWEC-UHFFFAOYSA-N 0 0 433.939 5.733 50 0 IKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)N3CCc4ccccc43)cc2)C1=O ZINC000046079398 557034435 /nfs/dbraw/zinc/03/44/35/557034435.db2.gz IJWIHQHBPLKEAM-UHFFFAOYSA-N 0 0 425.532 5.030 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000046079541 557034642 /nfs/dbraw/zinc/03/46/42/557034642.db2.gz SUVXFBHTDWWLAW-UHFFFAOYSA-N 0 0 437.902 5.564 50 0 IKAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000046079643 557034729 /nfs/dbraw/zinc/03/47/29/557034729.db2.gz FMKUIKGMGODFSL-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN O=C(NCc1ccccc1Cl)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079778 557034992 /nfs/dbraw/zinc/03/49/92/557034992.db2.gz ORKKZFQPPWXFCC-UHFFFAOYSA-N 0 0 433.939 5.102 50 0 IKAARN O=C(NCCc1ccccc1)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000046079673 557035036 /nfs/dbraw/zinc/03/50/36/557035036.db2.gz LMYIYDPUOZBLAD-UHFFFAOYSA-N 0 0 447.966 5.145 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@H](C)c3nnc(-c4ccccc4)o3)nc(=O)c12 ZINC000017189528 557035612 /nfs/dbraw/zinc/03/56/12/557035612.db2.gz PHBUZFXTAKBFTL-GXTWGEPZSA-N 0 0 440.594 5.785 50 0 IKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 ZINC000046086283 557035848 /nfs/dbraw/zinc/03/58/48/557035848.db2.gz CRVUXSXIUHIBGU-UHFFFAOYSA-N 0 0 425.834 6.845 50 0 IKAARN COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1 ZINC000017197283 557039919 /nfs/dbraw/zinc/03/99/19/557039919.db2.gz PKPRBMUMXNCCAJ-UHFFFAOYSA-N 0 0 432.907 5.346 50 0 IKAARN CC1CCN(C(=O)Cn2cc(SCc3ccc(C(F)(F)F)cc3)c3ccccc32)CC1 ZINC000017245908 557044463 /nfs/dbraw/zinc/04/44/63/557044463.db2.gz RMJRTXQRTVWJMF-UHFFFAOYSA-N 0 0 446.538 6.211 50 0 IKAARN CC[C@@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C)c1ccccc1 ZINC000010869313 557044508 /nfs/dbraw/zinc/04/45/08/557044508.db2.gz ONWIJCVUXHIFLN-INIZCTEOSA-N 0 0 444.000 5.033 50 0 IKAARN O=c1nc(SCc2csc(-c3cccc(Br)c3)n2)[nH]c2sccc21 ZINC000010869035 557044511 /nfs/dbraw/zinc/04/45/11/557044511.db2.gz RYNZFSMJXDNFKT-UHFFFAOYSA-N 0 0 436.381 5.163 50 0 IKAARN Cc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1Cl ZINC000046146457 557044575 /nfs/dbraw/zinc/04/45/75/557044575.db2.gz WOEIFNQUXWCOAJ-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN CCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037397246 557044859 /nfs/dbraw/zinc/04/48/59/557044859.db2.gz VWDMCVLBFFGZQU-UHFFFAOYSA-N 0 0 442.519 5.292 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1 ZINC000046146463 557044888 /nfs/dbraw/zinc/04/48/88/557044888.db2.gz WOHCJAAKKALJOS-UHFFFAOYSA-N 0 0 426.495 6.402 50 0 IKAARN CCN1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2-c2nc3ccccc3s2)C1 ZINC000017288783 557045654 /nfs/dbraw/zinc/04/56/54/557045654.db2.gz PKZSJVYVXVNBIG-UHFFFAOYSA-N 0 0 447.629 6.272 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 ZINC000033270690 557047328 /nfs/dbraw/zinc/04/73/28/557047328.db2.gz CJQORMNULOERCR-UHFFFAOYSA-N 0 0 428.901 5.036 50 0 IKAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cc(Cl)ccc4C)n3)nc2c1 ZINC000033270696 557047356 /nfs/dbraw/zinc/04/73/56/557047356.db2.gz HWXMNBDKUMRQBU-UHFFFAOYSA-N 0 0 442.928 5.345 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000033270686 557047382 /nfs/dbraw/zinc/04/73/82/557047382.db2.gz GGLWXKAUAHXTDR-UHFFFAOYSA-N 0 0 444.969 5.505 50 0 IKAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4C)n3)nc2c1 ZINC000033270981 557048107 /nfs/dbraw/zinc/04/81/07/557048107.db2.gz DETJMZKHMORZAV-UHFFFAOYSA-N 0 0 441.944 5.080 50 0 IKAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271531 557049435 /nfs/dbraw/zinc/04/94/35/557049435.db2.gz XAIZMTVUNJSCMC-QGZVFWFLSA-N 0 0 432.549 5.362 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000033271521 557049519 /nfs/dbraw/zinc/04/95/19/557049519.db2.gz UMXIGGJBQDBLCZ-QGZVFWFLSA-N 0 0 432.549 5.360 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000048261801 557049532 /nfs/dbraw/zinc/04/95/32/557049532.db2.gz GHESYNPCMVOORW-QFIPXVFZSA-N 0 0 447.501 5.283 50 0 IKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C(C)C)cc3)sc2c1 ZINC000033271743 557049736 /nfs/dbraw/zinc/04/97/36/557049736.db2.gz FUALZHZZFJLGGZ-IBGZPJMESA-N 0 0 446.576 5.787 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3OC(C)C)sc2c1 ZINC000033271624 557049783 /nfs/dbraw/zinc/04/97/83/557049783.db2.gz UFPAETGOVLRRSQ-QGZVFWFLSA-N 0 0 448.548 5.060 50 0 IKAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc4ccccc43)sc2c1 ZINC000033271635 557049789 /nfs/dbraw/zinc/04/97/89/557049789.db2.gz XKCPZDHARXTCHD-IBGZPJMESA-N 0 0 440.528 5.426 50 0 IKAARN CN1c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2-c2ccccc2S1(=O)=O ZINC000033271862 557050091 /nfs/dbraw/zinc/05/00/91/557050091.db2.gz YXTZGHAWEVCNBQ-UHFFFAOYSA-N 0 0 440.524 5.411 50 0 IKAARN Cc1nc(COc2cccc(C(=O)N(C3=NC[C@H](C)S3)C3CCCCC3)c2)cs1 ZINC000048263584 557050228 /nfs/dbraw/zinc/05/02/28/557050228.db2.gz IFONPIXBIPCKPP-HNNXBMFYSA-N 0 0 429.611 5.297 50 0 IKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000048263565 557050232 /nfs/dbraw/zinc/05/02/32/557050232.db2.gz UZXKCQQSZSPYEM-SANMLTNESA-N 0 0 447.542 5.375 50 0 IKAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2F)cc1 ZINC000017315102 557053104 /nfs/dbraw/zinc/05/31/04/557053104.db2.gz OQDRCXDDHQGXGF-UHFFFAOYSA-N 0 0 445.519 5.697 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000033273868 557053255 /nfs/dbraw/zinc/05/32/55/557053255.db2.gz FZOSHDNNDGXOIG-ZDUSSCGKSA-N 0 0 437.956 5.152 50 0 IKAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SCC)nn32)cc1 ZINC000017307557 557053757 /nfs/dbraw/zinc/05/37/57/557053757.db2.gz VHCCYOOHPXRUDI-NRFANRHFSA-N 0 0 449.580 5.025 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1 ZINC000017307456 557053859 /nfs/dbraw/zinc/05/38/59/557053859.db2.gz RQVHZHROUGEJTO-UHFFFAOYSA-N 0 0 439.519 5.923 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1ccc(C)cc1C ZINC000033275324 557054047 /nfs/dbraw/zinc/05/40/47/557054047.db2.gz UTDLHKLKGLVXAQ-UHFFFAOYSA-N 0 0 427.508 5.286 50 0 IKAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OCc3ccc(Cl)nc3)[C@@H]2c2cccs2)cc1 ZINC000022966421 557054657 /nfs/dbraw/zinc/05/46/57/557054657.db2.gz OPDZZPYVVMCCRZ-PGRDOPGGSA-N 0 0 440.952 5.333 50 0 IKAARN CCc1cc(Sc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)n2nc(C)nc2n1 ZINC000033276001 557054951 /nfs/dbraw/zinc/05/49/51/557054951.db2.gz MMRSDTSGBUYNDE-UHFFFAOYSA-N 0 0 432.553 5.407 50 0 IKAARN CN(Cn1nc2c(Cl)cc(Cl)cn2c1=S)[C@H](c1ccccc1)c1ccccn1 ZINC000048275771 557056008 /nfs/dbraw/zinc/05/60/08/557056008.db2.gz HPYHSTZZUHZSQK-GOSISDBHSA-N 0 0 430.364 5.246 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(I)[C@@]4(C)CC[C@@H]32)C1 ZINC000082048842 557056440 /nfs/dbraw/zinc/05/64/40/557056440.db2.gz OFYWDQNTPMUZEH-ZKHIMWLXSA-N 0 0 440.365 5.810 50 0 IKAARN Cc1ccc(-n2c3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948578 557056722 /nfs/dbraw/zinc/05/67/22/557056722.db2.gz OEQRRHFBEWPFDN-UHFFFAOYSA-N 0 0 431.995 5.759 50 0 IKAARN CCSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316837 557057226 /nfs/dbraw/zinc/05/72/26/557057226.db2.gz FSPHBGSPFJEWOU-QFIPXVFZSA-N 0 0 447.608 5.750 50 0 IKAARN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccco1)c1cccc(F)c1 ZINC000048279718 557057403 /nfs/dbraw/zinc/05/74/03/557057403.db2.gz ACXVOZBPXCPOPG-UHFFFAOYSA-N 0 0 447.432 5.282 50 0 IKAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)n1 ZINC000023012396 557057429 /nfs/dbraw/zinc/05/74/29/557057429.db2.gz HGASNTUXHCXJHU-NRFANRHFSA-N 0 0 435.549 5.055 50 0 IKAARN O=c1[nH]c(SCc2ccccc2F)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948672 557057456 /nfs/dbraw/zinc/05/74/56/557057456.db2.gz AHPUQRKBDRZSEM-UHFFFAOYSA-N 0 0 435.958 5.590 50 0 IKAARN Cc1cccc(C)c1OC1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048312250 557059155 /nfs/dbraw/zinc/05/91/55/557059155.db2.gz KKWZUPZRQNJSOE-UHFFFAOYSA-N 0 0 445.588 5.083 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000023043479 557059469 /nfs/dbraw/zinc/05/94/69/557059469.db2.gz TUWNHVCJHGYEGG-UHFFFAOYSA-N 0 0 448.910 5.087 50 0 IKAARN CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C ZINC000010876265 557059796 /nfs/dbraw/zinc/05/97/96/557059796.db2.gz QYLIDYKDMHYPKL-QGZVFWFLSA-N 0 0 443.638 5.185 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278119 557060091 /nfs/dbraw/zinc/06/00/91/557060091.db2.gz AAQAQRKZMZCVBP-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278118 557060153 /nfs/dbraw/zinc/06/01/53/557060153.db2.gz RZVINCTXQZRNFP-UHFFFAOYSA-N 0 0 435.574 5.184 50 0 IKAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3F)cc21 ZINC000033278486 557060163 /nfs/dbraw/zinc/06/01/63/557060163.db2.gz KFDTZSIDMLKYKF-UHFFFAOYSA-N 0 0 445.450 5.237 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278120 557060169 /nfs/dbraw/zinc/06/01/69/557060169.db2.gz PREYZINGSDEMHD-UHFFFAOYSA-N 0 0 449.601 5.493 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2CC)cc1 ZINC000033278127 557060176 /nfs/dbraw/zinc/06/01/76/557060176.db2.gz IWAYVFVCIMQDQY-UHFFFAOYSA-N 0 0 449.601 5.438 50 0 IKAARN CCOc1ccccc1NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cc(OC)c2c1 ZINC000033278573 557060431 /nfs/dbraw/zinc/06/04/31/557060431.db2.gz KCTHSPJGDKZCCQ-UHFFFAOYSA-N 0 0 431.467 6.092 50 0 IKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc21 ZINC000033278530 557060454 /nfs/dbraw/zinc/06/04/54/557060454.db2.gz APCSQUJVTDSYCD-UHFFFAOYSA-N 0 0 425.532 6.870 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc21 ZINC000033278592 557060472 /nfs/dbraw/zinc/06/04/72/557060472.db2.gz GMPXAQPSGGZVEI-UHFFFAOYSA-N 0 0 429.495 6.646 50 0 IKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc21 ZINC000033278606 557060481 /nfs/dbraw/zinc/06/04/81/557060481.db2.gz MUKXCEMVUUKYDM-UHFFFAOYSA-N 0 0 429.495 6.700 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OC)c3c2)cc1 ZINC000033278649 557060504 /nfs/dbraw/zinc/06/05/04/557060504.db2.gz FGRZOQPECHPWSP-UHFFFAOYSA-N 0 0 431.923 6.770 50 0 IKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccccc3F)cc21 ZINC000033278679 557060658 /nfs/dbraw/zinc/06/06/58/557060658.db2.gz PBKJRVOWMMLOEZ-UHFFFAOYSA-N 0 0 435.886 6.737 50 0 IKAARN O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033278871 557060753 /nfs/dbraw/zinc/06/07/53/557060753.db2.gz LXTAPOMIAICUES-UHFFFAOYSA-N 0 0 444.922 5.019 50 0 IKAARN O=C(COc1cc(Cl)ccc1Cl)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000023055214 557060794 /nfs/dbraw/zinc/06/07/94/557060794.db2.gz OHRVSKRCOJBXNZ-QFIPXVFZSA-N 0 0 426.303 5.154 50 0 IKAARN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc3cc(OC)ccc3nc2C)cn1 ZINC000048299246 557061317 /nfs/dbraw/zinc/06/13/17/557061317.db2.gz MMESVBUNRKMEBK-UHFFFAOYSA-N 0 0 443.503 5.068 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000033279600 557062243 /nfs/dbraw/zinc/06/22/43/557062243.db2.gz FUWZACCJOCMROK-JOCHJYFZSA-N 0 0 447.604 5.029 50 0 IKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccc(C)cc2)c(Nc2ccc(F)cc2F)n1 ZINC000033279926 557062482 /nfs/dbraw/zinc/06/24/82/557062482.db2.gz MVFHTDQNIMXVLI-UHFFFAOYSA-N 0 0 436.462 5.544 50 0 IKAARN COc1cccc(Oc2ccc(CNC(=O)c3cc4cc(Cl)ccc4nc3C)cn2)c1 ZINC000048302070 557063284 /nfs/dbraw/zinc/06/32/84/557063284.db2.gz ODPAWGYSSKMZOQ-UHFFFAOYSA-N 0 0 433.895 5.323 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000048302281 557063291 /nfs/dbraw/zinc/06/32/91/557063291.db2.gz FHAJBVVUBFBHHZ-KRWDZBQOSA-N 0 0 446.359 5.360 50 0 IKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000048326261 557065254 /nfs/dbraw/zinc/06/52/54/557065254.db2.gz BKAATKPJBUYTQP-UHFFFAOYSA-N 0 0 435.524 5.478 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000023126885 557065460 /nfs/dbraw/zinc/06/54/60/557065460.db2.gz LFYYMOHVLWAHGG-UHFFFAOYSA-N 0 0 439.562 5.161 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)cc1 ZINC000023128823 557065793 /nfs/dbraw/zinc/06/57/93/557065793.db2.gz YVYBIVIJPRIYAZ-HHHXNRCGSA-N 0 0 449.558 5.295 50 0 IKAARN CCOC(=O)N1CCC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1 ZINC000048325044 557065949 /nfs/dbraw/zinc/06/59/49/557065949.db2.gz MCXNBLWJIJQQQD-UHFFFAOYSA-N 0 0 435.760 5.212 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccc(C)c(C)c3)C2)c1 ZINC000033288787 557066074 /nfs/dbraw/zinc/06/60/74/557066074.db2.gz IVAQJWJVCJMHPN-QFIPXVFZSA-N 0 0 446.620 5.086 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1ccc(Oc2nccnc2Oc2ccc(C)cc2)cc1 ZINC000033288813 557066151 /nfs/dbraw/zinc/06/61/51/557066151.db2.gz XCEAYHMTAZICIR-UHFFFAOYSA-N 0 0 441.487 5.939 50 0 IKAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 ZINC000033288719 557066167 /nfs/dbraw/zinc/06/61/67/557066167.db2.gz CCQUHSWUDMIDGO-PZJWPPBQSA-N 0 0 432.593 5.030 50 0 IKAARN COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1OC(C)C ZINC000048325567 557066267 /nfs/dbraw/zinc/06/62/67/557066267.db2.gz XBSZNCDHUNGKRY-QZTJIDSGSA-N 0 0 444.572 5.400 50 0 IKAARN COc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc1Cl ZINC000033288991 557066500 /nfs/dbraw/zinc/06/65/00/557066500.db2.gz WTLHBPNQTIWTPL-UHFFFAOYSA-N 0 0 431.970 5.329 50 0 IKAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000048313598 557067593 /nfs/dbraw/zinc/06/75/93/557067593.db2.gz VTFJLKDNHPVSJF-UHFFFAOYSA-N 0 0 447.485 5.485 50 0 IKAARN O=C(c1cc(Cl)sc1Cl)N(C[C@@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000010883998 557068223 /nfs/dbraw/zinc/06/82/23/557068223.db2.gz NVBJIQVQNDAQCB-VIFPVBQESA-N 0 0 431.341 5.630 50 0 IKAARN Cc1ccc(/C=C2\SC(=O)N([C@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 ZINC000051364641 557068726 /nfs/dbraw/zinc/06/87/26/557068726.db2.gz BAKFGHKRERNNBA-QBOMHBFWSA-N 0 0 433.788 5.214 50 0 IKAARN Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1 ZINC000033289277 557070800 /nfs/dbraw/zinc/07/08/00/557070800.db2.gz VLJAANBPPUPZDW-UHFFFAOYSA-N 0 0 449.384 6.379 50 0 IKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c(C)c3)sc2c1 ZINC000033289312 557070820 /nfs/dbraw/zinc/07/08/20/557070820.db2.gz YPUDCAGMQCWCCA-UHFFFAOYSA-N 0 0 438.574 5.698 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(OC)cc4s3)cc2C)cc1 ZINC000033289304 557071011 /nfs/dbraw/zinc/07/10/11/557071011.db2.gz HPZIPDUJALVYHK-UHFFFAOYSA-N 0 0 438.574 5.644 50 0 IKAARN CCc1ccccc1S(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)c(Cl)c1 ZINC000033289265 557071055 /nfs/dbraw/zinc/07/10/55/557071055.db2.gz WJJHYMSMSMFYNK-UHFFFAOYSA-N 0 0 442.993 6.288 50 0 IKAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)c(C)s2)sc1C ZINC000033290114 557072246 /nfs/dbraw/zinc/07/22/46/557072246.db2.gz IVMUAYGUDHYVQX-UHFFFAOYSA-N 0 0 436.624 5.063 50 0 IKAARN O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000023190758 557072293 /nfs/dbraw/zinc/07/22/93/557072293.db2.gz DXARSGIINCNMPB-UHFFFAOYSA-N 0 0 439.319 5.039 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000023193560 557072599 /nfs/dbraw/zinc/07/25/99/557072599.db2.gz XSBPSLHXSBFPQO-SSOJOUAXSA-N 0 0 448.950 5.392 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3ccccc3Cl)no2)c1C ZINC000033296864 557072822 /nfs/dbraw/zinc/07/28/22/557072822.db2.gz YGSRLQJRLMIKTN-UHFFFAOYSA-N 0 0 446.898 5.277 50 0 IKAARN CC[C@H](NC(=O)C=Cc1cc(Cl)c(OC)c(OC)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000048354605 557072866 /nfs/dbraw/zinc/07/28/66/557072866.db2.gz OUBZWBDGDWXLAW-ZGKFYVQTSA-N 0 0 425.916 5.028 50 0 IKAARN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(C)c1 ZINC000033297840 557073671 /nfs/dbraw/zinc/07/36/71/557073671.db2.gz PSTZJUYPVWSCOF-HNNXBMFYSA-N 0 0 434.652 5.825 50 0 IKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287967 557077208 /nfs/dbraw/zinc/07/72/08/557077208.db2.gz CDAZLTLEBVCWKZ-OAQYLSRUSA-N 0 0 442.987 5.402 50 0 IKAARN Cc1cccc(C(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCCC5)csc4n3)c2)c1 ZINC000033299457 557078056 /nfs/dbraw/zinc/07/80/56/557078056.db2.gz HSKQZCJZIUSFAT-UHFFFAOYSA-N 0 0 444.560 5.250 50 0 IKAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3ccccc3C(F)(F)F)C2)s1 ZINC000033299585 557078299 /nfs/dbraw/zinc/07/82/99/557078299.db2.gz GHQHWMIPOMUFOD-MRXNPFEDSA-N 0 0 433.499 5.156 50 0 IKAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000049001784 557081105 /nfs/dbraw/zinc/08/11/05/557081105.db2.gz HGCAUEPRHBHSSZ-UHFFFAOYSA-N 0 0 445.953 5.252 50 0 IKAARN CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)o3)n2)cc1 ZINC000049001750 557081169 /nfs/dbraw/zinc/08/11/69/557081169.db2.gz MUZSVTGAELYFMP-UHFFFAOYSA-N 0 0 446.937 5.346 50 0 IKAARN Cc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(CC(C)C)cc4)o3)n2)c1 ZINC000049001752 557081182 /nfs/dbraw/zinc/08/11/82/557081182.db2.gz LLWDDVMEPMNOSA-UHFFFAOYSA-N 0 0 436.533 5.477 50 0 IKAARN FC(F)(F)c1ccc(-c2ccccc2-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000023279690 557081821 /nfs/dbraw/zinc/08/18/21/557081821.db2.gz ZDKXIGSISYQPTC-UHFFFAOYSA-N 0 0 442.440 7.756 50 0 IKAARN Cc1ccc(CNC(=O)CSc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000033301563 557083319 /nfs/dbraw/zinc/08/33/19/557083319.db2.gz XDGOBKMVYFJXQQ-UHFFFAOYSA-N 0 0 431.483 5.188 50 0 IKAARN COc1cc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000048989319 557083300 /nfs/dbraw/zinc/08/33/00/557083300.db2.gz AMYKHYNSNIMXGR-INIZCTEOSA-N 0 0 433.552 5.485 50 0 IKAARN CCc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc32)cc1 ZINC000048989350 557083335 /nfs/dbraw/zinc/08/33/35/557083335.db2.gz RYEXVMAGTWSDHZ-KRWDZBQOSA-N 0 0 433.552 5.430 50 0 IKAARN CCc1ccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3cc(OC)c(OC)cc32)cc1 ZINC000048989355 557083466 /nfs/dbraw/zinc/08/34/66/557083466.db2.gz RYEXVMAGTWSDHZ-QGZVFWFLSA-N 0 0 433.552 5.430 50 0 IKAARN COc1ccc(N(Cc2nc(-c3cccc(C)c3)oc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000048989955 557083589 /nfs/dbraw/zinc/08/35/89/557083589.db2.gz ILCJJHZVNBDEHW-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN COc1ccccc1N(Cc1nc(-c2ccc(C)cc2)oc1C)S(=O)(=O)c1ccccc1 ZINC000048989757 557083695 /nfs/dbraw/zinc/08/36/95/557083695.db2.gz NVODHVQHDJZQPR-UHFFFAOYSA-N 0 0 448.544 5.363 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(OC)c1 ZINC000049005004 557083917 /nfs/dbraw/zinc/08/39/17/557083917.db2.gz AAEDMXXLZLODLM-GOSISDBHSA-N 0 0 434.540 5.104 50 0 IKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000049005372 557084208 /nfs/dbraw/zinc/08/42/08/557084208.db2.gz SWICSWGEJOYCLA-AWEZNQCLSA-N 0 0 444.457 5.453 50 0 IKAARN Cc1ccc(F)c(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023330436 557084447 /nfs/dbraw/zinc/08/44/47/557084447.db2.gz PMZAKTBBYNJSCA-XMMPIXPASA-N 0 0 437.946 5.727 50 0 IKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049005557 557084571 /nfs/dbraw/zinc/08/45/71/557084571.db2.gz NKAGSGXEEROXND-UHFFFAOYSA-N 0 0 436.865 5.836 50 0 IKAARN O=C(c1cc(Cl)cnc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023335626 557084783 /nfs/dbraw/zinc/08/47/83/557084783.db2.gz DKMJROFRMXFZPB-OAQYLSRUSA-N 0 0 444.337 5.075 50 0 IKAARN CCOc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1 ZINC000049006035 557084807 /nfs/dbraw/zinc/08/48/07/557084807.db2.gz RQRXCRJNFSSUBC-UHFFFAOYSA-N 0 0 432.524 5.156 50 0 IKAARN CSc1cccc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000049006994 557085747 /nfs/dbraw/zinc/08/57/47/557085747.db2.gz VRRIBDMOBPWHJE-UHFFFAOYSA-N 0 0 433.455 5.210 50 0 IKAARN Cc1ccccc1CC(=O)Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000033307415 557086829 /nfs/dbraw/zinc/08/68/29/557086829.db2.gz PYTCVCSMECUYJC-UHFFFAOYSA-N 0 0 433.895 5.459 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)s1 ZINC000033307407 557086878 /nfs/dbraw/zinc/08/68/78/557086878.db2.gz SAJNXHRXVOGUPH-UHFFFAOYSA-N 0 0 425.897 5.591 50 0 IKAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000023362547 557088018 /nfs/dbraw/zinc/08/80/18/557088018.db2.gz HWHBDLHRSDBJQT-HXUWFJFHSA-N 0 0 445.588 5.146 50 0 IKAARN CC(C)c1csc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2nc3ccccc3n2C)n1 ZINC000023366901 557088283 /nfs/dbraw/zinc/08/82/83/557088283.db2.gz DOMBHJFPMMFZOE-RUZDIDTESA-N 0 0 441.604 5.782 50 0 IKAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)/C=C/c4cccs4)cc3)o2)cc1 ZINC000033308328 557088571 /nfs/dbraw/zinc/08/85/71/557088571.db2.gz GOGPXXPOBUGHNE-OUKQBFOZSA-N 0 0 433.489 5.038 50 0 IKAARN O=C(CCCn1cnc(-c2ccccc2)cc1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000049028161 557088603 /nfs/dbraw/zinc/08/86/03/557088603.db2.gz YAOKTTLKEIZKSB-UHFFFAOYSA-N 0 0 435.833 5.001 50 0 IKAARN Cc1ccsc1C(=O)Nc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000033308376 557088832 /nfs/dbraw/zinc/08/88/32/557088832.db2.gz HHVFGGHNHYTDQF-UHFFFAOYSA-N 0 0 425.897 5.591 50 0 IKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c(C)s2)cs1 ZINC000033308398 557088882 /nfs/dbraw/zinc/08/88/82/557088882.db2.gz VWQLSIBNGFNHPL-UHFFFAOYSA-N 0 0 447.376 5.191 50 0 IKAARN Cc1csc(-c2cc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)c(C)s2)n1 ZINC000033308464 557088934 /nfs/dbraw/zinc/08/89/34/557088934.db2.gz VNXTWSDVRCBUFA-ZDUSSCGKSA-N 0 0 431.970 5.133 50 0 IKAARN COc1cccc([C@@H](CNc2ncnc3sccc32)c2c[nH]c3ccccc32)c1OC ZINC000023381121 557089151 /nfs/dbraw/zinc/08/91/51/557089151.db2.gz IWBZSWBTCLSJKU-LJQANCHMSA-N 0 0 430.533 5.434 50 0 IKAARN Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)n3c4ccccc4nc32)cc1 ZINC000023382110 557089182 /nfs/dbraw/zinc/08/91/82/557089182.db2.gz SJSAZYULEUWZMW-XMMPIXPASA-N 0 0 438.531 5.078 50 0 IKAARN CCSc1nnc(NC(=O)c2ccc(OCc3nc(-c4ccco4)cs3)cc2)s1 ZINC000049032356 557089594 /nfs/dbraw/zinc/08/95/94/557089594.db2.gz GELNUFAXDJWADP-UHFFFAOYSA-N 0 0 444.563 5.198 50 0 IKAARN O=C(NCc1c(F)cccc1F)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 ZINC000049032359 557089638 /nfs/dbraw/zinc/08/96/38/557089638.db2.gz JYMBRIMSGYIWEN-UHFFFAOYSA-N 0 0 426.444 5.190 50 0 IKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 ZINC000049032343 557089752 /nfs/dbraw/zinc/08/97/52/557089752.db2.gz AUWXWLXTDBAYMR-UHFFFAOYSA-N 0 0 443.528 5.436 50 0 IKAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023384554 557090228 /nfs/dbraw/zinc/09/02/28/557090228.db2.gz DFYNGAKYMDADLG-MHZLTWQESA-N 0 0 437.543 5.125 50 0 IKAARN COc1cccc2c(Nc3ccc(Br)cc3)cc(C(=O)N3CCCCC3)nc12 ZINC000049003006 557090783 /nfs/dbraw/zinc/09/07/83/557090783.db2.gz IJAPOFJHOFGSDG-UHFFFAOYSA-N 0 0 440.341 5.376 50 0 IKAARN C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000023410490 557091037 /nfs/dbraw/zinc/09/10/37/557091037.db2.gz URIUZPZKVODFIY-WGDIFIGCSA-N 0 0 437.499 5.241 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000023436078 557092472 /nfs/dbraw/zinc/09/24/72/557092472.db2.gz QLGUZKBTKPTURP-XMMPIXPASA-N 0 0 436.939 5.845 50 0 IKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 ZINC000023458445 557092843 /nfs/dbraw/zinc/09/28/43/557092843.db2.gz UORRJXJJKYJEPH-NDEPHWFRSA-N 0 0 449.598 6.689 50 0 IKAARN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(OC)c2)cc1 ZINC000023467625 557093157 /nfs/dbraw/zinc/09/31/57/557093157.db2.gz UBIGFUYKEHRJFW-PNHLSOANSA-N 0 0 434.879 5.588 50 0 IKAARN COc1c2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc2oc1C(=O)Nc1ccccc1 ZINC000033310135 557093266 /nfs/dbraw/zinc/09/32/66/557093266.db2.gz MSZYQZDHVOOUDU-UHFFFAOYSA-N 0 0 438.842 5.739 50 0 IKAARN O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000023485355 557094562 /nfs/dbraw/zinc/09/45/62/557094562.db2.gz YVBTXBWAFIJJDB-LJQANCHMSA-N 0 0 449.626 5.905 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 ZINC000008426663 557095213 /nfs/dbraw/zinc/09/52/13/557095213.db2.gz XWMXZPAYTYZFRU-GHTZIAJQSA-N 0 0 441.350 5.762 50 0 IKAARN CCc1ccc(NC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)cc1 ZINC000033311899 557095302 /nfs/dbraw/zinc/09/53/02/557095302.db2.gz WXVVWTFGZNOGKZ-UHFFFAOYSA-N 0 0 430.552 5.303 50 0 IKAARN Nc1cc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)ccc1Cl ZINC000023514555 557095496 /nfs/dbraw/zinc/09/54/96/557095496.db2.gz VPIRVTGNTNUVKV-UHFFFAOYSA-N 0 0 442.513 5.331 50 0 IKAARN Cc1nc(C2(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CCCCC2)no1 ZINC000023508667 557095598 /nfs/dbraw/zinc/09/55/98/557095598.db2.gz KUCQLNCCIKEDAN-UHFFFAOYSA-N 0 0 449.338 5.248 50 0 IKAARN Cc1ccc(CNC(=O)C2CCN(c3cc(Sc4cc(C)ccc4C)ncn3)CC2)cc1 ZINC000033312053 557095810 /nfs/dbraw/zinc/09/58/10/557095810.db2.gz IVZPWZWZLQCQOH-UHFFFAOYSA-N 0 0 446.620 5.086 50 0 IKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1ccc(Br)cc1F ZINC000033312706 557096413 /nfs/dbraw/zinc/09/64/13/557096413.db2.gz FCFKXFYYPSFNQC-UHFFFAOYSA-N 0 0 443.251 5.686 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(-c3ccc(C)cc3)nc3ccccn32)cc1Cl ZINC000033312668 557096456 /nfs/dbraw/zinc/09/64/56/557096456.db2.gz BEMIWFZSSDNJHN-UHFFFAOYSA-N 0 0 436.899 5.624 50 0 IKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(Br)cc1C ZINC000033312554 557096943 /nfs/dbraw/zinc/09/69/43/557096943.db2.gz MGHVRVLIMPKMMO-UHFFFAOYSA-N 0 0 445.386 5.313 50 0 IKAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)CC3)ncn2)cc1 ZINC000049401928 557097314 /nfs/dbraw/zinc/09/73/14/557097314.db2.gz ZGUAKHPGOWUXKF-SFHVURJKSA-N 0 0 448.542 5.064 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000033313123 557098293 /nfs/dbraw/zinc/09/82/93/557098293.db2.gz WKZPLOAMQFZRFB-UHFFFAOYSA-N 0 0 426.442 5.405 50 0 IKAARN COc1cccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)c1OC ZINC000004767891 557098562 /nfs/dbraw/zinc/09/85/62/557098562.db2.gz MCLNMBUNDSGBIH-HSZRJFAPSA-N 0 0 447.535 5.218 50 0 IKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC ZINC000004767934 557098577 /nfs/dbraw/zinc/09/85/77/557098577.db2.gz CAKUQEPJLJXTRM-QFIPXVFZSA-N 0 0 435.524 5.076 50 0 IKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1OC ZINC000004767932 557098583 /nfs/dbraw/zinc/09/85/83/557098583.db2.gz CAKUQEPJLJXTRM-JOCHJYFZSA-N 0 0 435.524 5.076 50 0 IKAARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nc3ccccc3n21 ZINC000004767942 557098619 /nfs/dbraw/zinc/09/86/19/557098619.db2.gz DUPSVERSWXSGOH-DEOSSOPVSA-N 0 0 431.536 5.600 50 0 IKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC ZINC000004767949 557098625 /nfs/dbraw/zinc/09/86/25/557098625.db2.gz WNGKTPGCOOQZMB-HSZRJFAPSA-N 0 0 435.524 5.076 50 0 IKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000010916882 557099081 /nfs/dbraw/zinc/09/90/81/557099081.db2.gz KHDPXMSWRMAXPW-UHFFFAOYSA-N 0 0 431.359 5.016 50 0 IKAARN CC[C@@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 ZINC000010918211 557099360 /nfs/dbraw/zinc/09/93/60/557099360.db2.gz AYDQSMDREHWACY-GOSISDBHSA-N 0 0 430.957 5.291 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)c1 ZINC000008445996 557100299 /nfs/dbraw/zinc/10/02/99/557100299.db2.gz VSMNQWGXARUGCA-UHFFFAOYSA-N 0 0 432.343 5.155 50 0 IKAARN CCc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000023623882 557101418 /nfs/dbraw/zinc/10/14/18/557101418.db2.gz FUKWQYIARRPJGM-UHFFFAOYSA-N 0 0 444.556 5.384 50 0 IKAARN COc1ccc(-c2nc(CSc3ncnc4sc5c(c43)CCC5)cs2)cc1OC ZINC000023638288 557101803 /nfs/dbraw/zinc/10/18/03/557101803.db2.gz LECNDGHEGVAEIT-UHFFFAOYSA-N 0 0 441.603 5.613 50 0 IKAARN COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2CCCOC(C)C)c1 ZINC000085430408 557101834 /nfs/dbraw/zinc/10/18/34/557101834.db2.gz NNTCIKPGDXBZCR-JOCHJYFZSA-N 0 0 436.552 5.331 50 0 IKAARN CC(=O)Nc1ccc(C(=O)c2cc(-c3ccc(Cl)cc3)c(N3CCOCC3)s2)cc1 ZINC000085430286 557101907 /nfs/dbraw/zinc/10/19/07/557101907.db2.gz XUUCIIIIVAHESI-UHFFFAOYSA-N 0 0 440.952 5.095 50 0 IKAARN CCc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000085618793 557102325 /nfs/dbraw/zinc/10/23/25/557102325.db2.gz GYIYYQXGJFXPCU-AREMUKBSSA-N 0 0 443.572 5.001 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5cc(Cl)ccc54)C3)cc2C)cc1 ZINC000033320654 557103904 /nfs/dbraw/zinc/10/39/04/557103904.db2.gz LGKYQCMOWZWGCF-UHFFFAOYSA-N 0 0 446.938 5.279 50 0 IKAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1ccc(C)cc1 ZINC000033320670 557104096 /nfs/dbraw/zinc/10/40/96/557104096.db2.gz JTROEBLAMFKMOA-UHFFFAOYSA-N 0 0 446.938 5.279 50 0 IKAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1ccccc1C ZINC000033320668 557104225 /nfs/dbraw/zinc/10/42/25/557104225.db2.gz BCAMNAZOUQHTRX-UHFFFAOYSA-N 0 0 446.938 5.279 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1cccs1)Cc1cccn1C ZINC000049410049 557105570 /nfs/dbraw/zinc/10/55/70/557105570.db2.gz VBZDDFHQVJADDO-UHFFFAOYSA-N 0 0 425.941 5.546 50 0 IKAARN CC(C)n1cnc2c1nc(-c1csc3ccccc13)nc2NCCc1ccc(O)cc1 ZINC000086014468 557105775 /nfs/dbraw/zinc/10/57/75/557105775.db2.gz BGFHMYJZJZLMHW-UHFFFAOYSA-N 0 0 429.549 5.649 50 0 in-vitro IKAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023701672 557107922 /nfs/dbraw/zinc/10/79/22/557107922.db2.gz GUNOVFLKJVZLSK-AWEZNQCLSA-N 0 0 436.865 5.292 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cccc(C(C)C)c2)=Nc2ccccc2N1 ZINC000049421638 557108436 /nfs/dbraw/zinc/10/84/36/557108436.db2.gz VXGSZPKBXHVVNV-UHFFFAOYSA-N 0 0 437.565 5.475 50 0 IKAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2C)cc1 ZINC000086069987 557108435 /nfs/dbraw/zinc/10/84/35/557108435.db2.gz PUGBYRJRCJSUQS-UHFFFAOYSA-N 0 0 427.552 5.195 50 0 IKAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000086069957 557108444 /nfs/dbraw/zinc/10/84/44/557108444.db2.gz ONBYQUCKQSNCLO-UHFFFAOYSA-N 0 0 431.515 5.026 50 0 IKAARN Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)C4CCCCC4)cc3)cn2)c(C)c1 ZINC000049422006 557108941 /nfs/dbraw/zinc/10/89/41/557108941.db2.gz HQXAWNKSNMCWDN-UHFFFAOYSA-N 0 0 430.552 5.319 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cn(Cc3ccc(NC(=O)C4CCCCC4)cc3)cn2)c1 ZINC000049422030 557108960 /nfs/dbraw/zinc/10/89/60/557108960.db2.gz GOPXWOBAEOTBKU-UHFFFAOYSA-N 0 0 430.552 5.319 50 0 IKAARN CCc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)cc1 ZINC000049421913 557109002 /nfs/dbraw/zinc/10/90/02/557109002.db2.gz HHMVDICIVXJBDA-UHFFFAOYSA-N 0 0 442.494 5.138 50 0 IKAARN CCc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)c1 ZINC000049422081 557109021 /nfs/dbraw/zinc/10/90/21/557109021.db2.gz XVBAKOCYMMMDKR-UHFFFAOYSA-N 0 0 442.494 5.138 50 0 IKAARN COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)no1 ZINC000033327370 557109670 /nfs/dbraw/zinc/10/96/70/557109670.db2.gz VQAICVHUPWUSRE-UHFFFAOYSA-N 0 0 435.867 5.083 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(F)cc1Cl)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414202 557109718 /nfs/dbraw/zinc/10/97/18/557109718.db2.gz RMXJBIZFPBKCRI-NRFANRHFSA-N 0 0 437.902 5.864 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(O)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415520 557110279 /nfs/dbraw/zinc/11/02/79/557110279.db2.gz NIGNWXPHQOVZGY-HSZRJFAPSA-N 0 0 429.520 5.243 50 0 IKAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1csc(-c2ccccc2)n1 ZINC000049510994 557114113 /nfs/dbraw/zinc/11/41/13/557114113.db2.gz OTEIKRHVKRLLJG-UHFFFAOYSA-N 0 0 445.569 5.322 50 0 IKAARN COc1cc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CC2)ccc1OC(F)F ZINC000017743681 557114308 /nfs/dbraw/zinc/11/43/08/557114308.db2.gz SWPMTAGCTUQMBO-UHFFFAOYSA-N 0 0 431.266 5.800 50 0 IKAARN COc1ccccc1-c1nnc(SC[C@@H](O)c2ccccc2)n1CCc1ccccc1 ZINC000011366747 557114338 /nfs/dbraw/zinc/11/43/38/557114338.db2.gz PWCHBVYFPMECSM-JOCHJYFZSA-N 0 0 431.561 5.022 50 0 IKAARN COc1cc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(OC)cc1Cl ZINC000000678872 557114767 /nfs/dbraw/zinc/11/47/67/557114767.db2.gz KUNHKTRBWVDYQA-UHFFFAOYSA-N 0 0 440.952 5.002 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000000710192 557115805 /nfs/dbraw/zinc/11/58/05/557115805.db2.gz BTVSTOQSUZIMED-UHFFFAOYSA-N 0 0 437.746 5.552 50 0 IKAARN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629703 557115963 /nfs/dbraw/zinc/11/59/63/557115963.db2.gz VRRGQMAVRWTYGJ-HHHXNRCGSA-N 0 0 428.576 5.498 50 0 IKAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023805872 557117381 /nfs/dbraw/zinc/11/73/81/557117381.db2.gz JBWFDLZWWLYFAJ-UHFFFAOYSA-N 0 0 428.620 5.527 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3c(C)cc(C)cc3C)C2=O)c1 ZINC000004784428 557117588 /nfs/dbraw/zinc/11/75/88/557117588.db2.gz BSZBQWQTIUGGNM-NDEPHWFRSA-N 0 0 427.544 5.236 50 0 IKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(I)cc1 ZINC000000997123 557118103 /nfs/dbraw/zinc/11/81/03/557118103.db2.gz CSGZGROUTXMWHP-UHFFFAOYSA-N 0 0 425.575 5.216 50 0 IKAARN O=C(CSc1n[nH]c(C=Cc2ccc(F)cc2)n1)N(c1ccccc1)C1CCCCC1 ZINC000014897910 557118354 /nfs/dbraw/zinc/11/83/54/557118354.db2.gz XZWVTSUINJSIJP-DTQAZKPQSA-N 0 0 436.556 5.572 50 0 IKAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c12 ZINC000014898578 557118792 /nfs/dbraw/zinc/11/87/92/557118792.db2.gz XWDBCDCIAKNENH-UHFFFAOYSA-N 0 0 448.486 5.332 50 0 IKAARN CC1=CC(C)(C)N(C(=O)/C=C\c2ccco2)c2ccc(OC(=O)/C=C\c3ccco3)cc21 ZINC000033335880 557118885 /nfs/dbraw/zinc/11/88/85/557118885.db2.gz IDYDTONCIAPYDQ-QKFASICWSA-N 0 0 429.472 5.733 50 0 IKAARN COc1cc(Br)cc(/C=C2/C(=O)Nc3ccccc32)c1OCc1ccccc1 ZINC000113929088 557118878 /nfs/dbraw/zinc/11/88/78/557118878.db2.gz WBGOUSVTENTAGQ-XDHOZWIPSA-N 0 0 436.305 5.529 50 0 IKAARN CC(=O)Nc1ccc2c(CSc3nc(C(F)(F)F)nc4ccccc43)cc(=O)oc2c1 ZINC000049799693 557118924 /nfs/dbraw/zinc/11/89/24/557118924.db2.gz YWIFEOXFLMPNLF-UHFFFAOYSA-N 0 0 445.422 5.006 50 0 IKAARN CCC(C)(C)C1CCC2(CC1)S[C@H](C)C(=O)N2c1ccc(OCc2ccccc2)cc1 ZINC000049947098 557118968 /nfs/dbraw/zinc/11/89/68/557118968.db2.gz PVVZWJPVEYKMNH-UNYPOBEMSA-N 0 0 437.649 7.057 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)n2c3ccccc3nc2N1 ZINC000004786475 557119292 /nfs/dbraw/zinc/11/92/92/557119292.db2.gz WYCBINHYUQABOH-JOCHJYFZSA-N 0 0 449.341 6.271 50 0 IKAARN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004787325 557119514 /nfs/dbraw/zinc/11/95/14/557119514.db2.gz KNFHKGYLPHPXTI-XMMPIXPASA-N 0 0 442.950 6.180 50 0 IKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000001167358 557119700 /nfs/dbraw/zinc/11/97/00/557119700.db2.gz SOXSWRGWOXYFKD-UHFFFAOYSA-N 0 0 425.282 6.226 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl ZINC000004786793 557119977 /nfs/dbraw/zinc/11/99/77/557119977.db2.gz SMIDDVWKIBVAOA-QHCPKHFHSA-N 0 0 444.922 5.626 50 0 IKAARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnc(Cl)c(Cl)c1)OCCO3 ZINC000014903777 557120038 /nfs/dbraw/zinc/12/00/38/557120038.db2.gz ZKVUKFBKPDPBEW-CYBMUJFWSA-N 0 0 433.335 5.188 50 0 IKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000004786555 557120021 /nfs/dbraw/zinc/12/00/21/557120021.db2.gz MRSDYMYHPHCCHU-QHCPKHFHSA-N 0 0 428.467 5.112 50 0 IKAARN COc1c2cc(NC(=O)c3n[nH]c4ccccc43)ccc2oc1C(=O)Nc1cccc(C)c1 ZINC000085823361 557120417 /nfs/dbraw/zinc/12/04/17/557120417.db2.gz UOASFQXTCJKUIW-UHFFFAOYSA-N 0 0 440.459 5.131 50 0 IKAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc5ccccc54)n3C)oc21 ZINC000001105592 557121292 /nfs/dbraw/zinc/12/12/92/557121292.db2.gz LEBLKOCPPPNKPK-UHFFFAOYSA-N 0 0 444.516 5.121 50 0 IKAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000001117828 557121352 /nfs/dbraw/zinc/12/13/52/557121352.db2.gz BAWQIXCQYCILQB-OAHLLOKOSA-N 0 0 426.538 5.358 50 0 IKAARN CC(=O)c1cccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)c1 ZINC000000630195 557122674 /nfs/dbraw/zinc/12/26/74/557122674.db2.gz LONVSWPAJYYGPV-UHFFFAOYSA-N 0 0 442.953 5.045 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000647988 557124401 /nfs/dbraw/zinc/12/44/01/557124401.db2.gz CMPXTYMQYUCYNG-UHFFFAOYSA-N 0 0 430.891 5.522 50 0 IKAARN Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1-c1ccccc1 ZINC000000648759 557124730 /nfs/dbraw/zinc/12/47/30/557124730.db2.gz OVGMADKCLPGEBP-UHFFFAOYSA-N 0 0 430.558 5.497 50 0 IKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000004791094 557124847 /nfs/dbraw/zinc/12/48/47/557124847.db2.gz NYFLCWMOZXUVMV-UHFFFAOYSA-N 0 0 449.938 5.768 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)COc1ccc(Cl)cc1Cl ZINC000004790978 557124850 /nfs/dbraw/zinc/12/48/50/557124850.db2.gz LAXZTXRSRBFSOR-UHFFFAOYSA-N 0 0 444.293 5.773 50 0 IKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSc1nc[nH]n1 ZINC000017824193 557124803 /nfs/dbraw/zinc/12/48/03/557124803.db2.gz UJRULAJRVQBIQM-QFIPXVFZSA-N 0 0 426.973 5.072 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)C2CCCCC2)c1 ZINC000000648653 557124884 /nfs/dbraw/zinc/12/48/84/557124884.db2.gz LIQRBGMGSHDVGS-UHFFFAOYSA-N 0 0 448.592 5.513 50 0 IKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000606422413 557125072 /nfs/dbraw/zinc/12/50/72/557125072.db2.gz XYWGHUBLYXUPOD-WMLDXEAASA-N 0 0 434.754 6.184 50 0 IKAARN Cc1cc(CSc2ncccc2C(=O)OCCOc2ccc(Cl)cc2Cl)no1 ZINC000017832697 557125271 /nfs/dbraw/zinc/12/52/71/557125271.db2.gz BKBMLDPBRHSHNS-UHFFFAOYSA-N 0 0 439.320 5.213 50 0 IKAARN COc1cccc(-c2nc(CSc3nnc(NCc4ccc(F)cc4)s3)cs2)c1 ZINC000023909040 557125473 /nfs/dbraw/zinc/12/54/73/557125473.db2.gz MQBIOAQDMZYDFW-UHFFFAOYSA-N 0 0 444.582 5.714 50 0 IKAARN C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000014942193 557125617 /nfs/dbraw/zinc/12/56/17/557125617.db2.gz YAJSIFOSQLROTL-CYBMUJFWSA-N 0 0 445.407 5.213 50 0 IKAARN Cn1cc([C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792542 557125707 /nfs/dbraw/zinc/12/57/07/557125707.db2.gz MZKDDTRSFLJGED-ZEQRLZLVSA-N 0 0 443.934 5.381 50 0 IKAARN Cn1cc([C@H]2[C@H](C(=O)NCCC3=CCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792508 557125812 /nfs/dbraw/zinc/12/58/12/557125812.db2.gz GEGIKXILYSZTES-FTJBHMTQSA-N 0 0 441.575 5.096 50 0 IKAARN Cn1cc([C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792534 557125843 /nfs/dbraw/zinc/12/58/43/557125843.db2.gz MZKDDTRSFLJGED-DNQXCXABSA-N 0 0 443.934 5.381 50 0 IKAARN Cc1ccccc1Nc1c(-c2cc(Br)ccc2F)nc2ccc(Cl)cn21 ZINC000004793945 557126145 /nfs/dbraw/zinc/12/61/45/557126145.db2.gz JGZAJZMHQIJWKY-UHFFFAOYSA-N 0 0 430.708 6.608 50 0 IKAARN O=C(NCc1cc2ccccc2[nH]1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 ZINC000000651123 557127323 /nfs/dbraw/zinc/12/73/23/557127323.db2.gz HLGYRWLDFVGLBG-UHFFFAOYSA-N 0 0 425.315 5.984 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000002145613 557128341 /nfs/dbraw/zinc/12/83/41/557128341.db2.gz GOCZDCSOXPNPBD-UHFFFAOYSA-N 0 0 426.900 5.990 50 0 IKAARN Clc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccco3)cs2)cc1 ZINC000023968739 557128667 /nfs/dbraw/zinc/12/86/67/557128667.db2.gz CYFYFRZHOZHBNR-UHFFFAOYSA-N 0 0 428.970 5.866 50 0 IKAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000017917857 557128709 /nfs/dbraw/zinc/12/87/09/557128709.db2.gz UNPWUJZCWFCHDA-ZLNRFVROSA-N 0 0 432.907 5.008 50 0 IKAARN Brc1cccc(-c2noc(CN3CCC[C@@H]3c3nc4ccccc4s3)n2)c1 ZINC000023968709 557128720 /nfs/dbraw/zinc/12/87/20/557128720.db2.gz MOXDAEAERKMGSV-MRXNPFEDSA-N 0 0 441.354 5.446 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc(Br)s2)o1 ZINC000023968661 557128738 /nfs/dbraw/zinc/12/87/38/557128738.db2.gz RMMGPQQPWBDZIW-UHFFFAOYSA-N 0 0 445.342 5.156 50 0 IKAARN COc1ccc(OC)c(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000006768669 557129399 /nfs/dbraw/zinc/12/93/99/557129399.db2.gz QZRMLNYHPCOXEA-HNNXBMFYSA-N 0 0 425.554 5.318 50 0 IKAARN CCn1cc([C@H](C)NC(=O)c2ccc(COc3ccccc3Br)cc2)c(C)n1 ZINC000000652888 557129452 /nfs/dbraw/zinc/12/94/52/557129452.db2.gz JKGTYDCEROUVBS-HNNXBMFYSA-N 0 0 442.357 5.044 50 0 IKAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cc2ccccc2o1 ZINC000002320243 557129468 /nfs/dbraw/zinc/12/94/68/557129468.db2.gz CJBPEMJIVDTINH-UHFFFAOYSA-N 0 0 445.525 5.542 50 0 IKAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000011379094 557129866 /nfs/dbraw/zinc/12/98/66/557129866.db2.gz YBMBEQGVMRIHAY-DEOSSOPVSA-N 0 0 431.879 5.115 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(-c3ccsc3)no1)CC2 ZINC000023989296 557130001 /nfs/dbraw/zinc/13/00/01/557130001.db2.gz IVZLMKDJORIDPN-NRFANRHFSA-N 0 0 439.562 5.025 50 0 IKAARN c1coc(-c2nnc(SCc3csc(-c4cccs4)n3)n2Cc2ccccc2)c1 ZINC000023989447 557130012 /nfs/dbraw/zinc/13/00/12/557130012.db2.gz IPUAIAQPWKPQRP-UHFFFAOYSA-N 0 0 436.587 6.064 50 0 IKAARN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000000654252 557130215 /nfs/dbraw/zinc/13/02/15/557130215.db2.gz COODTOYVFFLMJI-UHFFFAOYSA-N 0 0 430.529 5.058 50 0 IKAARN C[C@@H](NC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N)c1ccccc1 ZINC000000658702 557130248 /nfs/dbraw/zinc/13/02/48/557130248.db2.gz MLZYQNHMGBVJDM-LLVKDONJSA-N 0 0 447.507 6.117 50 0 IKAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C2SCCS2)cc1 ZINC000017957606 557130567 /nfs/dbraw/zinc/13/05/67/557130567.db2.gz NPDSRZOIGAXWPJ-UHFFFAOYSA-N 0 0 438.412 5.209 50 0 IKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000000660290 557130864 /nfs/dbraw/zinc/13/08/64/557130864.db2.gz WAVODPNOXNIYEI-UHFFFAOYSA-N 0 0 433.480 5.556 50 0 IKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)c(Cl)c4)sc3n2)c1 ZINC000000661237 557130917 /nfs/dbraw/zinc/13/09/17/557130917.db2.gz PZESAQXCIJSBQG-UHFFFAOYSA-N 0 0 427.888 5.599 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(C)ccc4C)sc3n2)cc1OC ZINC000000661361 557130941 /nfs/dbraw/zinc/13/09/41/557130941.db2.gz NROMTIFGGRVOSD-UHFFFAOYSA-N 0 0 433.533 5.432 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(Br)c4)c(N)c3cc2C1 ZINC000000661773 557131226 /nfs/dbraw/zinc/13/12/26/557131226.db2.gz FUCZERKARCOTKJ-LLVKDONJSA-N 0 0 430.371 5.408 50 0 IKAARN Cc1ccccc1NC(=O)c1sc2nc3c(c(C(F)(F)F)c2c1N)CCCCCC3 ZINC000000664023 557131451 /nfs/dbraw/zinc/13/14/51/557131451.db2.gz FXUQGBXJPOHRSV-UHFFFAOYSA-N 0 0 433.499 6.117 50 0 IKAARN Nc1c(C(=O)N2CCc3ccccc3C2)sc2nc3c(c(C(F)(F)F)c12)CCCCC3 ZINC000000663859 557131456 /nfs/dbraw/zinc/13/14/56/557131456.db2.gz HDDQWELEEGSKNN-UHFFFAOYSA-N 0 0 445.510 5.365 50 0 IKAARN O=C(c1cc(Br)ccc1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000024002999 557131550 /nfs/dbraw/zinc/13/15/50/557131550.db2.gz QCXWPHUZAMJXSZ-CYBMUJFWSA-N 0 0 435.318 5.024 50 0 IKAARN Nc1c(C(=O)Nc2ccc(F)cc2F)sc2nc3c(c(C(F)(F)F)c12)CCCCC3 ZINC000000664014 557131564 /nfs/dbraw/zinc/13/15/64/557131564.db2.gz UOCZDHVXTAUXTI-UHFFFAOYSA-N 0 0 441.425 5.697 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000000672314 557133156 /nfs/dbraw/zinc/13/31/56/557133156.db2.gz ICYGTUYVZHDDSI-KRWDZBQOSA-N 0 0 446.378 5.878 50 0 IKAARN O=C(NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000674980 557133490 /nfs/dbraw/zinc/13/34/90/557133490.db2.gz VVYCOCZXWXVGDJ-FUHWJXTLSA-N 0 0 434.849 5.127 50 0 IKAARN O=C(Nc1ccc(I)cc1F)c1cccc(OCc2ccccc2)c1 ZINC000002880122 557134015 /nfs/dbraw/zinc/13/40/15/557134015.db2.gz YQLFDFYUJASWNA-UHFFFAOYSA-N 0 0 447.247 5.262 50 0 IKAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2Cl)cc1 ZINC000002852547 557134031 /nfs/dbraw/zinc/13/40/31/557134031.db2.gz JFUIYEXRMQJZOE-LBPRGKRZSA-N 0 0 443.712 5.476 50 0 IKAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000002847872 557134134 /nfs/dbraw/zinc/13/41/34/557134134.db2.gz AXHPOFDOEOMBKT-UHFFFAOYSA-N 0 0 431.772 5.777 50 0 IKAARN Cc1ccccc1OCC(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccnc2)c1 ZINC000000678480 557134353 /nfs/dbraw/zinc/13/43/53/557134353.db2.gz PUCFVYXALNRCLW-UHFFFAOYSA-N 0 0 444.462 6.131 50 0 IKAARN CCCCSc1nnc(SCCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000024757101 557134372 /nfs/dbraw/zinc/13/43/72/557134372.db2.gz YQBPGXDSONWXGF-UHFFFAOYSA-N 0 0 437.656 5.167 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 ZINC000002978383 557134393 /nfs/dbraw/zinc/13/43/93/557134393.db2.gz GYMNQQWFCNEHOW-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000000679890 557134587 /nfs/dbraw/zinc/13/45/87/557134587.db2.gz KPZNEPAQLCTJHS-UHFFFAOYSA-N 0 0 436.342 6.009 50 0 aggregator IKAARN CC(=O)Nc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 ZINC000000678541 557134659 /nfs/dbraw/zinc/13/46/59/557134659.db2.gz WBXYMGDXNJXBBN-OEAKJJBVSA-N 0 0 446.890 5.222 50 0 IKAARN O=C(Cc1cccs1)Nc1ccc(Cc2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000000683153 557134907 /nfs/dbraw/zinc/13/49/07/557134907.db2.gz HGULQNDEEIFKEI-UHFFFAOYSA-N 0 0 446.597 5.763 50 0 IKAARN Cc1cccc(-c2nnc(SCCC(=O)Nc3ccccc3F)n2Cc2ccco2)c1 ZINC000024758659 557135023 /nfs/dbraw/zinc/13/50/23/557135023.db2.gz DGWKYHQAOASMBN-UHFFFAOYSA-N 0 0 436.512 5.155 50 0 IKAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000002892033 557135123 /nfs/dbraw/zinc/13/51/23/557135123.db2.gz ZHPPBJWFEPMEGY-BKUYFWCQSA-N 0 0 445.446 5.097 50 0 IKAARN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000002884658 557135140 /nfs/dbraw/zinc/13/51/40/557135140.db2.gz YHFYCTJFWDYQFU-UHFFFAOYSA-N 0 0 430.451 5.411 50 0 IKAARN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002890039 557135193 /nfs/dbraw/zinc/13/51/93/557135193.db2.gz WYAGMIPGIJKNEG-UHFFFAOYSA-N 0 0 436.377 5.168 50 0 IKAARN Cc1c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cnn1-c1cccc(Cl)c1 ZINC000024760200 557135254 /nfs/dbraw/zinc/13/52/54/557135254.db2.gz XDQQNDNZQRAFFK-UHFFFAOYSA-N 0 0 449.898 5.001 50 0 IKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1C(=O)Nc1ccccc1 ZINC000090623523 557135558 /nfs/dbraw/zinc/13/55/58/557135558.db2.gz GTFSGUOMYYQTPE-CQSZACIVSA-N 0 0 430.287 5.619 50 0 IKAARN Cc1cc2nc3s/c(=C\c4ccc(-c5cc(Cl)cc(Cl)c5)o4)c(=O)n3c2cc1C ZINC000003004068 557135817 /nfs/dbraw/zinc/13/58/17/557135817.db2.gz WEFYYXSPTXMBGD-JMIUGGIZSA-N 0 0 441.339 5.641 50 0 IKAARN CC(C)COc1cccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)c1 ZINC000000689155 557136126 /nfs/dbraw/zinc/13/61/26/557136126.db2.gz RGCXRFNOPBVAFL-UHFFFAOYSA-N 0 0 439.515 5.288 50 0 IKAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000000688998 557136174 /nfs/dbraw/zinc/13/61/74/557136174.db2.gz GFEJFTBIDUTZPB-DEDYPNTBSA-N 0 0 444.478 5.793 50 0 IKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 ZINC000000686956 557136531 /nfs/dbraw/zinc/13/65/31/557136531.db2.gz UYXMAEWJDPJGRF-RUZDIDTESA-N 0 0 430.935 6.008 50 0 biogenic IKAARN O=C(Nc1ccc(F)cc1F)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000691737 557136766 /nfs/dbraw/zinc/13/67/66/557136766.db2.gz ZDNVQMBHHNEASC-JOCHJYFZSA-N 0 0 426.488 5.823 50 0 IKAARN Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000017994268 557137427 /nfs/dbraw/zinc/13/74/27/557137427.db2.gz XDVFYFCTFGIXLK-DSNGMDLFSA-N 0 0 438.458 5.030 50 0 IKAARN Cc1ccccc1-c1nc(OC(C)C)nn1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000000696799 557137448 /nfs/dbraw/zinc/13/74/48/557137448.db2.gz PHNZFDLTTGABJQ-UHFFFAOYSA-N 0 0 430.483 5.421 50 0 IKAARN CC(C)Oc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000000698446 557137686 /nfs/dbraw/zinc/13/76/86/557137686.db2.gz ZEKSTTCLQNSWIO-UHFFFAOYSA-N 0 0 444.457 5.479 50 0 IKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000216031558 557138710 /nfs/dbraw/zinc/13/87/10/557138710.db2.gz WOECLDQDCSEWTG-KZECIMMFSA-N 0 0 428.661 6.344 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000003766253 557138769 /nfs/dbraw/zinc/13/87/69/557138769.db2.gz QRFIHRUZZOPIMI-UHFFFAOYSA-N 0 0 447.000 5.360 50 0 IKAARN COC(=O)C(OC(=O)Nc1ccc(OC)c(Cl)c1)(c1ccccc1)c1ccccc1 ZINC000000704483 557138933 /nfs/dbraw/zinc/13/89/33/557138933.db2.gz LMCVWPUQJMOKLR-UHFFFAOYSA-N 0 0 425.868 5.014 50 0 IKAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(OC)c1OC)O2 ZINC000216147207 557139875 /nfs/dbraw/zinc/13/98/75/557139875.db2.gz YOBSMYXMJKDADT-BKMJKUGQSA-N 0 0 430.504 5.345 50 0 IKAARN Clc1cc(Br)ccc1OCc1nnc(-c2ccc(Br)o2)o1 ZINC000011399401 557139969 /nfs/dbraw/zinc/13/99/69/557139969.db2.gz WRYSBTSJYIHOTM-UHFFFAOYSA-N 0 0 434.471 5.087 50 0 IKAARN COc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000216139139 557139910 /nfs/dbraw/zinc/13/99/10/557139910.db2.gz FQJQRHZXOKZFGR-REWPJTCUSA-N 0 0 425.315 6.244 50 0 IKAARN COc1cccc2c1O[C@@H](c1ccc(Cl)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000216139347 557140069 /nfs/dbraw/zinc/14/00/69/557140069.db2.gz WUFXKPYTZMTPCB-REWPJTCUSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109782 557141312 /nfs/dbraw/zinc/14/13/12/557141312.db2.gz AHCLLRIAZGTODF-UHFFFAOYSA-N 0 0 443.263 5.329 50 0 IKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)n1 ZINC000024222811 557141375 /nfs/dbraw/zinc/14/13/75/557141375.db2.gz ZGQBWUCPVAXTSE-INIZCTEOSA-N 0 0 440.590 5.651 50 0 IKAARN CC1CCN(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2-c2ccccc2)CC1 ZINC000011410980 557142579 /nfs/dbraw/zinc/14/25/79/557142579.db2.gz HNLLKXCALATPIA-UHFFFAOYSA-N 0 0 432.549 5.031 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)NCCSc2ccc(Cl)cc2)cs1 ZINC000011415311 557143241 /nfs/dbraw/zinc/14/32/41/557143241.db2.gz FFOVFPZYHNHXBL-UHFFFAOYSA-N 0 0 432.998 5.313 50 0 IKAARN CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccccc1F ZINC000003147040 557144706 /nfs/dbraw/zinc/14/47/06/557144706.db2.gz PDWJCJOHPZERNH-HSZRJFAPSA-N 0 0 438.930 5.802 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(CNc3ccc(NC(C)=O)c(Cl)c3)nc(=O)c12 ZINC000010944455 557144763 /nfs/dbraw/zinc/14/47/63/557144763.db2.gz GQXUXCABJVEKHR-LLVKDONJSA-N 0 0 432.977 5.106 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccc3cccnc31)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413360 557145607 /nfs/dbraw/zinc/14/56/07/557145607.db2.gz BHGIWSAIIJNYCB-HSZRJFAPSA-N 0 0 436.515 5.620 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000011421558 557145650 /nfs/dbraw/zinc/14/56/50/557145650.db2.gz PHSLYIFFESKBCA-OAQYLSRUSA-N 0 0 439.631 5.446 50 0 IKAARN CC(=O)c1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 ZINC000024376270 557145737 /nfs/dbraw/zinc/14/57/37/557145737.db2.gz LDDMQEYVEROMKE-UHFFFAOYSA-N 0 0 441.331 5.365 50 0 IKAARN Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1Br ZINC000024376858 557145750 /nfs/dbraw/zinc/14/57/50/557145750.db2.gz XTTPSSOYMAORNI-UHFFFAOYSA-N 0 0 442.210 5.353 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(F)cc1Cl)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414203 557145917 /nfs/dbraw/zinc/14/59/17/557145917.db2.gz RMXJBIZFPBKCRI-OAQYLSRUSA-N 0 0 437.902 5.864 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(OC(C)C)cc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414562 557146041 /nfs/dbraw/zinc/14/60/41/557146041.db2.gz XFIQARJEULKAEU-DEOSSOPVSA-N 0 0 443.547 5.859 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(O)c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414613 557146066 /nfs/dbraw/zinc/14/60/66/557146066.db2.gz YFVHMUJHURDIMU-OAQYLSRUSA-N 0 0 435.911 5.431 50 0 IKAARN CSc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409414664 557146079 /nfs/dbraw/zinc/14/60/79/557146079.db2.gz ZQFAUYLIDVTMCM-QFIPXVFZSA-N 0 0 431.561 5.794 50 0 IKAARN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000011425297 557146227 /nfs/dbraw/zinc/14/62/27/557146227.db2.gz VJBNMUPSPUGJKS-UHFFFAOYSA-N 0 0 435.254 5.258 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccncc2)cc1 ZINC000009465158 557147040 /nfs/dbraw/zinc/14/70/40/557147040.db2.gz BYTIUKYIBNXDOK-IFMALSPDSA-N 0 0 426.303 5.639 50 0 IKAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000024455723 557147455 /nfs/dbraw/zinc/14/74/55/557147455.db2.gz BIUMZULEJIRUPB-ZDUSSCGKSA-N 0 0 437.754 6.454 50 0 IKAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000024459981 557147744 /nfs/dbraw/zinc/14/77/44/557147744.db2.gz ZIYXSUWXWGUQQV-CYBMUJFWSA-N 0 0 437.754 6.454 50 0 IKAARN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc32)cc1 ZINC000024483410 557148043 /nfs/dbraw/zinc/14/80/43/557148043.db2.gz HWXFOWKAPSJQIW-XMSQKQJNSA-N 0 0 430.379 5.066 50 0 IKAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000000717980 557148502 /nfs/dbraw/zinc/14/85/02/557148502.db2.gz GOEMEMPXHVGXON-XMMPIXPASA-N 0 0 427.529 5.323 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000024500901 557148751 /nfs/dbraw/zinc/14/87/51/557148751.db2.gz JGAAVOAQTIGEKR-UHFFFAOYSA-N 0 0 446.528 5.259 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccccc2Cl)c2cccc(Cl)c2)c1C ZINC000000719945 557149553 /nfs/dbraw/zinc/14/95/53/557149553.db2.gz OYDDZUFPXBNDFT-UHFFFAOYSA-N 0 0 445.346 5.962 50 0 IKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000021578530 557151387 /nfs/dbraw/zinc/15/13/87/557151387.db2.gz PKTLQNUBNFHFAD-UHFFFAOYSA-N 0 0 425.315 6.979 50 0 IKAARN O=C(Nc1cccc2ccccc21)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000000721067 557151549 /nfs/dbraw/zinc/15/15/49/557151549.db2.gz CZNZEDHALFJAPF-UHFFFAOYSA-N 0 0 438.434 5.882 50 0 IKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000000722924 557151817 /nfs/dbraw/zinc/15/18/17/557151817.db2.gz HEWRQWOJQCZYPY-UHFFFAOYSA-N 0 0 448.935 5.858 50 0 IKAARN O=C(Nc1ccc2nc(-c3ccccc3F)oc2c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000000722848 557151830 /nfs/dbraw/zinc/15/18/30/557151830.db2.gz AYXDRAUUHHWAJG-UHFFFAOYSA-N 0 0 432.838 6.800 50 0 IKAARN COCCn1c2ccccc2nc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000011490009 557152850 /nfs/dbraw/zinc/15/28/50/557152850.db2.gz JPKCNYBNAZGFCP-UHFFFAOYSA-N 0 0 441.578 5.116 50 0 IKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000011497803 557153673 /nfs/dbraw/zinc/15/36/73/557153673.db2.gz YIXYKUSRWXJATP-UHFFFAOYSA-N 0 0 445.498 5.037 50 0 IKAARN CCCCCN1c2ccccc2[C@@]2(c3[nH]c4ccccc4c3C[C@H](C)N2C(=O)CC)C1=O ZINC000095115738 557156480 /nfs/dbraw/zinc/15/64/80/557156480.db2.gz RXMCCQKEPKHXNY-XRHLQHRESA-N 0 0 429.564 5.132 50 0 IKAARN O=C(CCCCC(=O)Nc1ccc2c3c(cccc31)CC2)Nc1ccc2c3c(cccc31)CC2 ZINC000095115793 557156503 /nfs/dbraw/zinc/15/65/03/557156503.db2.gz IJMXHBKVUZYKTO-UHFFFAOYSA-N 0 0 448.566 6.328 50 0 IKAARN C[C@@H]1CCc2c(sc3nc(-c4ccc(S(C)(=O)=O)cc4)cc(-c4ccccc4)c23)C1 ZINC000024634757 557156793 /nfs/dbraw/zinc/15/67/93/557156793.db2.gz GWXYXBJQIQHMHY-MRXNPFEDSA-N 0 0 433.598 6.159 50 0 IKAARN CCOC(=O)c1c2cc(OCC(=O)c3ccccc3)ccc2oc1-c1ccc(OC)cc1 ZINC000000728019 557156930 /nfs/dbraw/zinc/15/69/30/557156930.db2.gz HQTBUXLAMUINDS-UHFFFAOYSA-N 0 0 430.456 5.547 50 0 biogenic IKAARN CCCc1cc2c(cc1OC(=O)c1cccs1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000728052 557156987 /nfs/dbraw/zinc/15/69/87/557156987.db2.gz JNNCYHDETQMUPI-UHFFFAOYSA-N 0 0 448.496 5.464 50 0 biogenic IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2noc3ccccc23)cc1 ZINC000024646675 557157060 /nfs/dbraw/zinc/15/70/60/557157060.db2.gz WEKJFUPTALPWDW-UHFFFAOYSA-N 0 0 427.504 5.559 50 0 IKAARN Cc1cc(-c2cc(C(=O)OCc3nc4ccccc4o3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000010956185 557158068 /nfs/dbraw/zinc/15/80/68/557158068.db2.gz RUKDKDWWRSDYRI-UHFFFAOYSA-N 0 0 430.464 5.387 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)N(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1 ZINC000016957282 557158734 /nfs/dbraw/zinc/15/87/34/557158734.db2.gz ZUISKEIKCHYWOI-UHFFFAOYSA-N 0 0 442.943 5.394 50 0 IKAARN O[C@@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000016957574 557159077 /nfs/dbraw/zinc/15/90/77/557159077.db2.gz PEAWIEYQMCERBF-OXQOHEQNSA-N 0 0 449.885 5.501 50 0 IKAARN Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@@H]4[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957569 557159175 /nfs/dbraw/zinc/15/91/75/557159175.db2.gz SNXRDYREUBKUGY-LAUBAEHRSA-N 0 0 429.467 5.156 50 0 IKAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ncc(-c2ccccc2)o1 ZINC000011528331 557159904 /nfs/dbraw/zinc/15/99/04/557159904.db2.gz YINZUFLBFNUQCQ-UHFFFAOYSA-N 0 0 441.940 5.034 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000024747517 557161742 /nfs/dbraw/zinc/16/17/42/557161742.db2.gz OKGXKLNFUIWVPL-MRXNPFEDSA-N 0 0 445.544 5.117 50 0 IKAARN Cc1nc(COc2ccccc2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000014731796 557161848 /nfs/dbraw/zinc/16/18/48/557161848.db2.gz CAMZFMYHIOGMDJ-UHFFFAOYSA-N 0 0 445.319 5.247 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000024749307 557162059 /nfs/dbraw/zinc/16/20/59/557162059.db2.gz VOEKABCXQHWOBM-QFIPXVFZSA-N 0 0 449.620 5.425 50 0 IKAARN c1coc(CNc2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3Cc2ccco2)c1 ZINC000000728984 557162489 /nfs/dbraw/zinc/16/24/89/557162489.db2.gz UCYFSUCPWFWJKZ-UHFFFAOYSA-N 0 0 446.510 6.612 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)C[C@H](C)CC(C)(C)C)CC2 ZINC000023304460 557163081 /nfs/dbraw/zinc/16/30/81/557163081.db2.gz HSFQXAOTZDCGBN-GKVSMKOHSA-N 0 0 444.015 6.294 50 0 IKAARN Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CCCOC(C)C)co2)cc1 ZINC000024758706 557163893 /nfs/dbraw/zinc/16/38/93/557163893.db2.gz GZJDZOAFKNPDTD-UHFFFAOYSA-N 0 0 449.576 5.467 50 0 IKAARN CCCc1ccc([C@H](NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)C)cc1 ZINC000024767262 557165209 /nfs/dbraw/zinc/16/52/09/557165209.db2.gz ZUSODGZHRNDRPM-OAQYLSRUSA-N 0 0 426.561 5.369 50 0 IKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(F)c(F)c1F ZINC000206892179 557165725 /nfs/dbraw/zinc/16/57/25/557165725.db2.gz COYLTFUKMMRLGL-UHFFFAOYSA-N 0 0 426.423 5.618 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)c1 ZINC000206901336 557165739 /nfs/dbraw/zinc/16/57/39/557165739.db2.gz ZCUVJIBSRLOZGX-UHFFFAOYSA-N 0 0 436.309 5.333 50 0 IKAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000024832204 557165987 /nfs/dbraw/zinc/16/59/87/557165987.db2.gz NMUHSCASCZNYCY-UHFFFAOYSA-N 0 0 440.425 5.095 50 0 IKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000024802842 557168339 /nfs/dbraw/zinc/16/83/39/557168339.db2.gz NAJFDHVNQGTLMS-UHFFFAOYSA-N 0 0 439.515 5.336 50 0 IKAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc21 ZINC000000755097 557169726 /nfs/dbraw/zinc/16/97/26/557169726.db2.gz KDVUJEGTLDKHTR-UHFFFAOYSA-N 0 0 443.908 5.525 50 0 IKAARN Ic1ccsc1/C=C\c1cscc1I ZINC000008431214 557169906 /nfs/dbraw/zinc/16/99/06/557169906.db2.gz IQGNYENQARSDQM-UPHRSURJSA-N 0 0 444.100 5.189 50 0 IKAARN CCOc1cc(-c2nnc(S[C@@H](C)c3nc(C(C)C)no3)o2)cc(OCC)c1OCC ZINC000024830874 557170259 /nfs/dbraw/zinc/17/02/59/557170259.db2.gz APSBPJGQQHGPDH-ZDUSSCGKSA-N 0 0 448.545 5.292 50 0 IKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024831070 557170343 /nfs/dbraw/zinc/17/03/43/557170343.db2.gz DRZMQXUMFKIBRS-QFIPXVFZSA-N 0 0 436.895 5.502 50 0 IKAARN CCOc1ccc(-n2c3nc(SC)n(-c4ccc(F)cc4)c(=O)c3sc2=S)cc1 ZINC000000756700 557170387 /nfs/dbraw/zinc/17/03/87/557170387.db2.gz ZPVCSOLYGXDVJY-UHFFFAOYSA-N 0 0 445.566 5.227 50 0 IKAARN CCn1c2nc(SCc3cccc(F)c3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000000756706 557170446 /nfs/dbraw/zinc/17/04/46/557170446.db2.gz PBKLGUSRURUJJW-UHFFFAOYSA-N 0 0 429.567 5.429 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207017458 557171054 /nfs/dbraw/zinc/17/10/54/557171054.db2.gz BHMZTIZWJDOBPU-CYBMUJFWSA-N 0 0 436.459 5.304 50 0 IKAARN Cc1ccc([C@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c(O)c1 ZINC000000781880 557176371 /nfs/dbraw/zinc/17/63/71/557176371.db2.gz QKTPJHIBFMDTDH-RUZDIDTESA-N 0 0 429.560 5.087 50 0 IKAARN COc1ccc2c(CNc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000024923817 557179075 /nfs/dbraw/zinc/17/90/75/557179075.db2.gz VMROHLPYEFDKKR-UHFFFAOYSA-N 0 0 434.879 5.319 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H](C)Oc1ccc(C)cc1)CC2 ZINC000024924048 557179441 /nfs/dbraw/zinc/17/94/41/557179441.db2.gz FRHRICKQKHAGBQ-XDHUDOTRSA-N 0 0 437.561 5.015 50 0 IKAARN CC1=C[C@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000000783601 557180512 /nfs/dbraw/zinc/18/05/12/557180512.db2.gz WJBCXGNDJCUFGU-PMACEKPBSA-N 0 0 434.621 5.713 50 0 IKAARN O=C(Cc1csc(-c2ccco2)n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000024928560 557180896 /nfs/dbraw/zinc/18/08/96/557180896.db2.gz YTVBMFWFTQYSCF-UHFFFAOYSA-N 0 0 438.530 5.012 50 0 IKAARN O=C(CSc1ncnc2ccccc21)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000024929517 557180927 /nfs/dbraw/zinc/18/09/27/557180927.db2.gz AVNHNHNEJVIGPC-UHFFFAOYSA-N 0 0 448.935 5.266 50 0 IKAARN Cc1ccccc1-c1nc(SCC(=O)Nc2ccc(Br)cc2C(C)C)n[nH]1 ZINC000009095855 557181734 /nfs/dbraw/zinc/18/17/34/557181734.db2.gz SERYQUBMCHIPLA-UHFFFAOYSA-N 0 0 445.386 5.397 50 0 IKAARN Cc1cccc(CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)c1 ZINC000009264881 557182838 /nfs/dbraw/zinc/18/28/38/557182838.db2.gz NOSNMAJIKSSRRQ-GOSISDBHSA-N 0 0 446.551 5.498 50 0 IKAARN Fc1ccc(OCc2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000024971438 557183918 /nfs/dbraw/zinc/18/39/18/557183918.db2.gz LBSGWBCBPSXUBA-INIZCTEOSA-N 0 0 439.581 5.851 50 0 IKAARN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000009246719 557184201 /nfs/dbraw/zinc/18/42/01/557184201.db2.gz NLSRMNLPXWHXLO-UHFFFAOYSA-N 0 0 441.597 5.248 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009260610 557184279 /nfs/dbraw/zinc/18/42/79/557184279.db2.gz JYRMWICLUSQYEV-UHFFFAOYSA-N 0 0 436.537 5.067 50 0 IKAARN CCOc1c(Cl)cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OC ZINC000024977963 557184946 /nfs/dbraw/zinc/18/49/46/557184946.db2.gz WQWVHEOAKFEUOK-LJQANCHMSA-N 0 0 433.982 5.658 50 0 IKAARN Cc1sc2nc(SCc3nnsc3Cl)n(-c3cc(C)ccc3C)c(=O)c2c1C ZINC000024990349 557187341 /nfs/dbraw/zinc/18/73/41/557187341.db2.gz JJVSCNDADAKHTH-UHFFFAOYSA-N 0 0 449.026 5.478 50 0 IKAARN CC(=O)Nc1ccc(Sc2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1 ZINC000024990597 557187377 /nfs/dbraw/zinc/18/73/77/557187377.db2.gz QHMFLXCRQYGNDQ-UHFFFAOYSA-N 0 0 427.554 6.621 50 0 IKAARN CCOc1cc(CN(Cc2noc(-c3ccc(Cl)cc3)n2)C2CC2)ccc1OC(F)F ZINC000024992539 557187966 /nfs/dbraw/zinc/18/79/66/557187966.db2.gz GZLJJLUTHZTZGQ-UHFFFAOYSA-N 0 0 449.885 5.555 50 0 IKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CSCc1cccc(Cl)c1 ZINC000024993649 557188360 /nfs/dbraw/zinc/18/83/60/557188360.db2.gz NHRZKSLWWWWDBR-UHFFFAOYSA-N 0 0 441.000 5.505 50 0 IKAARN Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)cc1 ZINC000009426779 557188410 /nfs/dbraw/zinc/18/84/10/557188410.db2.gz FXYFWAYSZPUVQW-GOSISDBHSA-N 0 0 446.551 5.498 50 0 IKAARN CC(=O)N(c1nc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cs1)c1ccc(C)c(C)c1 ZINC000098002329 557188939 /nfs/dbraw/zinc/18/89/39/557188939.db2.gz PNZGONMNRRTVHA-WSDLNYQXSA-N 0 0 445.544 5.406 50 0 IKAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025038171 557189877 /nfs/dbraw/zinc/18/98/77/557189877.db2.gz HPTSNICHLTWGRU-HSZRJFAPSA-N 0 0 428.517 5.036 50 0 IKAARN Cc1ccc(-c2nc(CC(=O)N[C@@H](c3ccccc3)c3ccc4[nH]cnc4c3)cs2)cc1 ZINC000025035550 557190048 /nfs/dbraw/zinc/19/00/48/557190048.db2.gz OFVQQFXMJHPDSY-VWLOTQADSA-N 0 0 438.556 5.443 50 0 IKAARN COc1ccc(OC)c([C@H](C)NC(=O)Cc2sc(C)nc2-c2cc(C)sc2C)c1 ZINC000025050207 557191321 /nfs/dbraw/zinc/19/13/21/557191321.db2.gz UTVZRKLQVYCPBD-ZDUSSCGKSA-N 0 0 430.595 5.234 50 0 IKAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000009698898 557191460 /nfs/dbraw/zinc/19/14/60/557191460.db2.gz OEQGWWWVABMGLB-UHFFFAOYSA-N 0 0 430.892 5.235 50 0 IKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000025052908 557191641 /nfs/dbraw/zinc/19/16/41/557191641.db2.gz BXHYJWUWQCAHMD-QZTJIDSGSA-N 0 0 430.495 6.024 50 0 IKAARN Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1-c1ccccc1 ZINC000009668980 557192301 /nfs/dbraw/zinc/19/23/01/557192301.db2.gz NJNDBZJODYLPFN-GOSISDBHSA-N 0 0 446.551 5.498 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)N1CC=C(c3ccc(O)cc3)CC1)oc1ccccc12 ZINC000025062170 557193196 /nfs/dbraw/zinc/19/31/96/557193196.db2.gz RWLSIZBWMSKTIJ-QGZVFWFLSA-N 0 0 442.515 5.417 50 0 IKAARN Cc1cc2nc(Cc3ccccc3Cl)n(Cc3ccc(C(=O)NC(C)C)cc3)c2cc1C ZINC000096278140 557193683 /nfs/dbraw/zinc/19/36/83/557193683.db2.gz FPZJQPJIJRHIPD-UHFFFAOYSA-N 0 0 445.994 6.084 50 0 IKAARN CC(C)[C@@H](C)N(Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000096279964 557193808 /nfs/dbraw/zinc/19/38/08/557193808.db2.gz PVSXJQQYPSBHFU-RBUKOAKNSA-N 0 0 439.987 5.866 50 0 IKAARN Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2Cl)c(-c2nc3c(cccc3C)o2)c1 ZINC000096279295 557193905 /nfs/dbraw/zinc/19/39/05/557193905.db2.gz LGZQUYGVJGKNEY-UHFFFAOYSA-N 0 0 448.327 6.186 50 0 IKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)s1 ZINC000096280619 557193927 /nfs/dbraw/zinc/19/39/27/557193927.db2.gz XRLLHSZQYNDNIY-LJQANCHMSA-N 0 0 441.666 6.052 50 0 IKAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000000790131 557193897 /nfs/dbraw/zinc/19/38/97/557193897.db2.gz VQVAMLATHJBSOA-UHFFFAOYSA-N 0 0 442.544 5.253 50 0 IKAARN Cc1ccc2oc(-c3ccccc3OS(=O)(=O)c3cccc(Cl)c3Cl)nc2c1 ZINC000096279305 557193945 /nfs/dbraw/zinc/19/39/45/557193945.db2.gz IFOUDRQTFSLPES-UHFFFAOYSA-N 0 0 434.300 5.878 50 0 IKAARN CC(C)[C@H](C)N(Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000096279965 557193985 /nfs/dbraw/zinc/19/39/85/557193985.db2.gz PVSXJQQYPSBHFU-OALUTQOASA-N 0 0 439.987 5.866 50 0 IKAARN Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 ZINC000025068680 557194222 /nfs/dbraw/zinc/19/42/22/557194222.db2.gz IJVWBKWMMUUCTE-OFNKIYASSA-N 0 0 433.577 5.206 50 0 IKAARN Cc1ccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CCC(=O)NCc2ccco2)cc1 ZINC000096290099 557194299 /nfs/dbraw/zinc/19/42/99/557194299.db2.gz MJIYOWZQBWTDLK-UHFFFAOYSA-N 0 0 449.554 6.127 50 0 IKAARN Cc1sc2nc([C@H](C)SCC(=O)N[C@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C ZINC000025068818 557194308 /nfs/dbraw/zinc/19/43/08/557194308.db2.gz ZWGVGTKPGKUYFD-OCCSQVGLSA-N 0 0 441.578 5.019 50 0 IKAARN CCN(CC)C(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000096289933 557194312 /nfs/dbraw/zinc/19/43/12/557194312.db2.gz HADPDGOYRMVLBO-UHFFFAOYSA-N 0 0 431.967 6.123 50 0 IKAARN CC[C@@H](C)NC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000096290093 557194336 /nfs/dbraw/zinc/19/43/36/557194336.db2.gz BSZRPHBEIQMVRY-OAQYLSRUSA-N 0 0 425.576 6.132 50 0 IKAARN O=C(C=Cc1ccc(F)cc1)Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000100880227 557197816 /nfs/dbraw/zinc/19/78/16/557197816.db2.gz RBDULFMVGAQDCJ-IGVGMEOHSA-N 0 0 437.478 5.125 50 0 IKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000100906307 557199299 /nfs/dbraw/zinc/19/92/99/557199299.db2.gz QNYDWYBXEMBFRU-NRFANRHFSA-N 0 0 437.305 6.447 50 0 IKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1c(OC)cccc1OC ZINC000023307496 557199788 /nfs/dbraw/zinc/19/97/88/557199788.db2.gz SWNBZSJSCDJGIV-CQSZACIVSA-N 0 0 433.570 5.734 50 0 IKAARN CCOc1ccc(CCC2CCN(C(=O)CSc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000010980109 557200090 /nfs/dbraw/zinc/20/00/90/557200090.db2.gz AFQHZZPBTNYYSK-UHFFFAOYSA-N 0 0 440.609 5.007 50 0 IKAARN O=C(Cc1csc(-c2ccccn2)n1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000072235905 557200399 /nfs/dbraw/zinc/20/03/99/557200399.db2.gz XEOYIRRCPCICBU-UHFFFAOYSA-N 0 0 427.573 5.872 50 0 IKAARN CC[S@](=O)c1ccccc1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000025256503 557201477 /nfs/dbraw/zinc/20/14/77/557201477.db2.gz JKNCNBCALPZXHQ-WJOKGBTCSA-N 0 0 431.513 5.002 50 0 IKAARN S=c1n(CCc2ccccc2)c2ccccc2n1CN1CC=C(c2ccccc2)CC1 ZINC000025286250 557202395 /nfs/dbraw/zinc/20/23/95/557202395.db2.gz GMARCDIDTNSUQE-UHFFFAOYSA-N 0 0 425.601 6.162 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(SCc2cscn2)cc1 ZINC000025277466 557202463 /nfs/dbraw/zinc/20/24/63/557202463.db2.gz BRXKGHDYDCIJLN-UHFFFAOYSA-N 0 0 440.550 5.131 50 0 IKAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000011575473 557203402 /nfs/dbraw/zinc/20/34/02/557203402.db2.gz XFLVNGKGAHZKNN-UHFFFAOYSA-N 0 0 426.520 5.074 50 0 IKAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)c2ccccn2)CCCCC1 ZINC000000792630 557203560 /nfs/dbraw/zinc/20/35/60/557203560.db2.gz RWVCYUFQCFVRKY-UHFFFAOYSA-N 0 0 441.575 5.682 50 0 IKAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000025322233 557203783 /nfs/dbraw/zinc/20/37/83/557203783.db2.gz HQCPRVXMEUQSJK-UHFFFAOYSA-N 0 0 443.931 5.094 50 0 IKAARN c1ccc(C2=C(c3ccccc3)[C@H](c3ccccc3)C(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000169555950 557204009 /nfs/dbraw/zinc/20/40/09/557204009.db2.gz ONCRRKVNEMITTH-CZNDPXEESA-N 0 0 448.609 8.962 50 0 IKAARN CCN(C(=O)Nc1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C)C1CCCCC1 ZINC000025389145 557206871 /nfs/dbraw/zinc/20/68/71/557206871.db2.gz AKLHSDAOASLFOA-UHFFFAOYSA-N 0 0 443.636 6.071 50 0 IKAARN CN(CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000025393135 557207657 /nfs/dbraw/zinc/20/76/57/557207657.db2.gz GLLHTZZXMONJPB-MUUNZHRXSA-N 0 0 433.555 5.650 50 0 IKAARN C[C@@H]1CCC[C@@H](Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@@H]1C ZINC000025397549 557208009 /nfs/dbraw/zinc/20/80/09/557208009.db2.gz IYHXKSRTJBSOST-DBXWQHBBSA-N 0 0 436.625 5.427 50 0 IKAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3cncc(Br)c3)nc21 ZINC000025397436 557208089 /nfs/dbraw/zinc/20/80/89/557208089.db2.gz NMKUQRDILSESRA-UHFFFAOYSA-N 0 0 438.350 5.609 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000100967676 557208833 /nfs/dbraw/zinc/20/88/33/557208833.db2.gz FOGUVKOKUQBLPP-CCLHPLFOSA-N 0 0 426.491 6.396 50 0 IKAARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000100971934 557208839 /nfs/dbraw/zinc/20/88/39/557208839.db2.gz IAEIIBHELACHGY-RBTNQOKQSA-N 0 0 438.527 6.265 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Nc1cccc(CO)c1)c1ccccc1 ZINC000025427106 557209358 /nfs/dbraw/zinc/20/93/58/557209358.db2.gz LHDKXCPWHQWNKG-FQEVSTJZSA-N 0 0 434.845 5.643 50 0 IKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1ccc2c(c1)c1ccccc1n2C ZINC000169678574 557209878 /nfs/dbraw/zinc/20/98/78/557209878.db2.gz DWQSSIFTRHQFQG-QABSLLFYSA-N 0 0 427.544 6.495 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000011614262 557210770 /nfs/dbraw/zinc/21/07/70/557210770.db2.gz YNAQWYXNOXMTLE-NRFANRHFSA-N 0 0 430.529 5.740 50 0 IKAARN CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000025461914 557211222 /nfs/dbraw/zinc/21/12/22/557211222.db2.gz OWUFLDKPORAPPB-UHFFFAOYSA-N 0 0 436.389 5.652 50 0 IKAARN O=C(c1ccccc1OC(F)(F)F)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000023310320 557211825 /nfs/dbraw/zinc/21/18/25/557211825.db2.gz HRLWVZKFIMQZAP-UHFFFAOYSA-N 0 0 428.454 5.471 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cc2ccccc2)cc1 ZINC000011617466 557212211 /nfs/dbraw/zinc/21/22/11/557212211.db2.gz BSZUZNUWDJAQLD-UHFFFAOYSA-N 0 0 439.367 6.960 50 0 IKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1cccc(OC(C)=O)c1C ZINC000023311849 557212428 /nfs/dbraw/zinc/21/24/28/557212428.db2.gz YVENVZYRBFWDGJ-CQSZACIVSA-N 0 0 445.581 5.951 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1CC ZINC000000797562 557212930 /nfs/dbraw/zinc/21/29/30/557212930.db2.gz UXHDPYZJVMFTNA-UHFFFAOYSA-N 0 0 444.004 5.165 50 0 IKAARN Cc1c(-n2c(-c3ccc(C)cc3)cs/c2=N\C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000011617340 557213015 /nfs/dbraw/zinc/21/30/15/557213015.db2.gz BEZVYSJIZMWIIW-LCUIJRPUSA-N 0 0 432.593 5.011 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1ccc(F)cc1 ZINC000101008942 557213315 /nfs/dbraw/zinc/21/33/15/557213315.db2.gz ARDADIUTSHCDKZ-NRFANRHFSA-N 0 0 445.885 5.379 50 0 IKAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1ccc(F)cc1 ZINC000101008937 557213358 /nfs/dbraw/zinc/21/33/58/557213358.db2.gz ARDADIUTSHCDKZ-OAQYLSRUSA-N 0 0 445.885 5.379 50 0 IKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cc(C2CC2)on1 ZINC000025539888 557213730 /nfs/dbraw/zinc/21/37/30/557213730.db2.gz XLSBJMJKLOSOPQ-UHFFFAOYSA-N 0 0 432.911 5.330 50 0 IKAARN CC(C)[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558672 557214016 /nfs/dbraw/zinc/21/40/16/557214016.db2.gz VHCLBAZIBDWCQJ-MJGOQNOKSA-N 0 0 440.168 6.282 50 0 IKAARN CC(C)[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558669 557214035 /nfs/dbraw/zinc/21/40/35/557214035.db2.gz VHCLBAZIBDWCQJ-PKOBYXMFSA-N 0 0 440.168 6.282 50 0 IKAARN CC(C)[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558676 557214442 /nfs/dbraw/zinc/21/44/42/557214442.db2.gz VHCLBAZIBDWCQJ-IEBWSBKVSA-N 0 0 440.168 6.282 50 0 IKAARN Clc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000025575462 557215225 /nfs/dbraw/zinc/21/52/25/557215225.db2.gz LJSOACZAHXWTPC-XZOQPEGZSA-N 0 0 447.325 5.798 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000023316771 557215482 /nfs/dbraw/zinc/21/54/82/557215482.db2.gz TXFKNSWFKKZSMR-UHFFFAOYSA-N 0 0 442.559 6.017 50 0 IKAARN COc1ccc(-c2c(C)n3nc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 ZINC000025576070 557215617 /nfs/dbraw/zinc/21/56/17/557215617.db2.gz KITPKEFSISUUKW-UHFFFAOYSA-N 0 0 436.353 5.886 50 0 IKAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCC2 ZINC000000799655 557216022 /nfs/dbraw/zinc/21/60/22/557216022.db2.gz XTKUAEZYGMHYFS-UHFFFAOYSA-N 0 0 427.529 5.193 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2OC32CCCC2)cc1OC ZINC000025579174 557216045 /nfs/dbraw/zinc/21/60/45/557216045.db2.gz JTBZHJKIEFOEER-SFHVURJKSA-N 0 0 433.335 5.824 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000025581521 557216328 /nfs/dbraw/zinc/21/63/28/557216328.db2.gz SPGXZPLSFHAKBE-QPPBQGQZSA-N 0 0 448.906 5.378 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000025581962 557216636 /nfs/dbraw/zinc/21/66/36/557216636.db2.gz GHKXUFSXILJKKG-LADGPHEKSA-N 0 0 449.348 6.008 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)c(OC)c2)cc1 ZINC000025582455 557216640 /nfs/dbraw/zinc/21/66/40/557216640.db2.gz GOSABOAACAQEBL-WNCULLNHSA-N 0 0 444.531 5.735 50 0 IKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582292 557216675 /nfs/dbraw/zinc/21/66/75/557216675.db2.gz IOCFQSZAKAGXAA-XUZZJYLKSA-N 0 0 439.342 6.634 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000025582233 557216700 /nfs/dbraw/zinc/21/67/00/557216700.db2.gz UWWQCXXZHASYQG-ATIYNZHBSA-N 0 0 430.504 5.345 50 0 IKAARN COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000025582529 557216718 /nfs/dbraw/zinc/21/67/18/557216718.db2.gz WBHGVAHFPLCIMJ-URXFXBBRSA-N 0 0 438.886 5.739 50 0 IKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1OC ZINC000025583040 557216988 /nfs/dbraw/zinc/21/69/88/557216988.db2.gz XTMUTWCHFWTFPY-FNZWTVRRSA-N 0 0 444.487 5.065 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc(OC)c1OC ZINC000025583285 557217261 /nfs/dbraw/zinc/21/72/61/557217261.db2.gz HWZPWUIKELGLAI-CJFMBICVSA-N 0 0 434.467 5.094 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)c(Cl)c1 ZINC000025583680 557217318 /nfs/dbraw/zinc/21/73/18/557217318.db2.gz HRVYJLLIFZNVGP-IRLDBZIGSA-N 0 0 429.734 6.889 50 0 IKAARN COc1cc(Br)cc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000170618956 557217300 /nfs/dbraw/zinc/21/73/00/557217300.db2.gz GAWJMJYFQHTHOO-UWJYYQICSA-N 0 0 443.272 5.432 50 0 IKAARN Brc1ccc(-c2cc(-c3ccccc3)nc3oc(-c4ccccc4)nc32)cc1 ZINC000025585233 557217650 /nfs/dbraw/zinc/21/76/50/557217650.db2.gz WTENLLKZFTZXNC-UHFFFAOYSA-N 0 0 427.301 6.986 50 0 IKAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000010992557 557218772 /nfs/dbraw/zinc/21/87/72/557218772.db2.gz LORBDTGWKMYJCU-UHFFFAOYSA-N 0 0 427.504 5.000 50 0 IKAARN Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1C ZINC000006280309 557218826 /nfs/dbraw/zinc/21/88/26/557218826.db2.gz XGBFJCBZQVYQRZ-UHFFFAOYSA-N 0 0 434.564 7.060 50 0 IKAARN N=c1c2c(ncn1CCCO)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000101060718 557218950 /nfs/dbraw/zinc/21/89/50/557218950.db2.gz FTONQWOSFUNKSC-UHFFFAOYSA-N 0 0 434.543 5.082 50 0 IKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cc(Br)ccc3F)C12 ZINC000101060451 557218956 /nfs/dbraw/zinc/21/89/56/557218956.db2.gz RFDSFQKMKPWWDY-QFIPXVFZSA-N 0 0 438.321 6.839 50 0 IKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000025613828 557219549 /nfs/dbraw/zinc/21/95/49/557219549.db2.gz OPEVBYZQSASMLT-HXUWFJFHSA-N 0 0 448.548 5.026 50 0 IKAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000025668954 557220870 /nfs/dbraw/zinc/22/08/70/557220870.db2.gz WGUZYNJIEXVNSX-FQEVSTJZSA-N 0 0 448.548 5.026 50 0 IKAARN O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000025666264 557220925 /nfs/dbraw/zinc/22/09/25/557220925.db2.gz MJVCMJFMSYHJSB-UHFFFAOYSA-N 0 0 434.499 5.183 50 0 IKAARN C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc2ccccc2n1C(F)F ZINC000025673299 557221307 /nfs/dbraw/zinc/22/13/07/557221307.db2.gz BKGNMUFHHOGXQB-SNVBAGLBSA-N 0 0 433.256 5.166 50 0 IKAARN C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc2ccccc2n1C(F)F ZINC000025673303 557221389 /nfs/dbraw/zinc/22/13/89/557221389.db2.gz BKGNMUFHHOGXQB-JTQLQIEISA-N 0 0 433.256 5.166 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101068342 557222248 /nfs/dbraw/zinc/22/22/48/557222248.db2.gz IUTLYTNICBKNHE-GVAUOCQISA-N 0 0 440.543 5.031 50 0 IKAARN C[C@@H](Oc1ccc(Cl)c(COC(=O)c2nc(Cl)ccc2Cl)n1)c1ccccc1 ZINC000072300971 557223373 /nfs/dbraw/zinc/22/33/73/557223373.db2.gz MHUNDSZRNIZIGN-GFCCVEGCSA-N 0 0 437.710 5.934 50 0 IKAARN C[C@H](Oc1ccc(Cl)c(COC(=O)c2nc(Cl)ccc2Cl)n1)c1ccccc1 ZINC000072300970 557223427 /nfs/dbraw/zinc/22/34/27/557223427.db2.gz MHUNDSZRNIZIGN-LBPRGKRZSA-N 0 0 437.710 5.934 50 0 IKAARN COCCCn1c(SCc2cc(-c3ccco3)on2)nnc1-c1ccccc1Cl ZINC000025745702 557223857 /nfs/dbraw/zinc/22/38/57/557223857.db2.gz NOMNLIGKDAQJGQ-UHFFFAOYSA-N 0 0 430.917 5.175 50 0 IKAARN Nc1c(C(=O)Nc2ccccc2F)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000010013028 557224701 /nfs/dbraw/zinc/22/47/01/557224701.db2.gz MJWYGJBBNLBAJA-UHFFFAOYSA-N 0 0 431.414 5.956 50 0 IKAARN Brc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000101071677 557225160 /nfs/dbraw/zinc/22/51/60/557225160.db2.gz BHRLTXVQLNPKJL-JOCHJYFZSA-N 0 0 429.321 5.764 50 0 IKAARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000101073213 557225250 /nfs/dbraw/zinc/22/52/50/557225250.db2.gz KXTRRAANNZFXSC-QFIPXVFZSA-N 0 0 425.370 6.937 50 0 IKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007948383 557225733 /nfs/dbraw/zinc/22/57/33/557225733.db2.gz VLRPNJQIDISLQB-QHCPKHFHSA-N 0 0 427.639 5.386 50 0 IKAARN CCOC(=O)c1oc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2c1N ZINC000025782242 557225772 /nfs/dbraw/zinc/22/57/72/557225772.db2.gz CKQZGUMMVVEKRS-UHFFFAOYSA-N 0 0 429.192 5.035 50 0 IKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782879 557225846 /nfs/dbraw/zinc/22/58/46/557225846.db2.gz WWUJVYCIVPUKRG-KNQAVFIVSA-N 0 0 447.724 7.028 50 0 IKAARN Cc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783705 557226083 /nfs/dbraw/zinc/22/60/83/557226083.db2.gz GFGLNWAAFCFTFI-ZEQRLZLVSA-N 0 0 426.907 5.453 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)C1CCCCC1 ZINC000008843248 557226388 /nfs/dbraw/zinc/22/63/88/557226388.db2.gz LOBFPOUYPVQJDC-UHFFFAOYSA-N 0 0 432.517 5.143 50 0 IKAARN Cc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@@H](c3ccccc3F)C21 ZINC000025783913 557226483 /nfs/dbraw/zinc/22/64/83/557226483.db2.gz WNISQGAYTJXXDB-ZEQRLZLVSA-N 0 0 444.897 5.592 50 0 IKAARN COc1ccc2nc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2c1 ZINC000025815227 557227446 /nfs/dbraw/zinc/22/74/46/557227446.db2.gz GZHUFNSMOJTONN-UHFFFAOYSA-N 0 0 426.398 5.009 50 0 IKAARN Cc1c(C(=O)N(CCc2cccs2)Cc2cccs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025847198 557228391 /nfs/dbraw/zinc/22/83/91/557228391.db2.gz LYWQVAXQHJGCTJ-UHFFFAOYSA-N 0 0 426.607 5.486 50 0 IKAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000025897487 557229456 /nfs/dbraw/zinc/22/94/56/557229456.db2.gz KYROQKYPANPYNB-DEOSSOPVSA-N 0 0 445.588 5.166 50 0 IKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc(OC(C)C)n1 ZINC000011613288 557230682 /nfs/dbraw/zinc/23/06/82/557230682.db2.gz OJGGYWNNWFWNCU-UHFFFAOYSA-N 0 0 445.445 5.979 50 0 IKAARN O=C(CCC1CCCCC1)N1CCC(n2c3ccccc3nc2Cc2ccccc2)CC1 ZINC000023318504 557231240 /nfs/dbraw/zinc/23/12/40/557231240.db2.gz KTSOSIYVUSZXFP-UHFFFAOYSA-N 0 0 429.608 6.151 50 0 IKAARN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000072304099 557231929 /nfs/dbraw/zinc/23/19/29/557231929.db2.gz LEKHVSZNBOBDET-GOSISDBHSA-N 0 0 430.614 5.417 50 0 IKAARN COc1ccc2nc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)cn2n1 ZINC000011693405 557232619 /nfs/dbraw/zinc/23/26/19/557232619.db2.gz BJHPZMPFHFPDRZ-UHFFFAOYSA-N 0 0 434.499 5.176 50 0 IKAARN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072705 557232919 /nfs/dbraw/zinc/23/29/19/557232919.db2.gz QOYYXWZPMZEOMT-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl ZINC000098072738 557233019 /nfs/dbraw/zinc/23/30/19/557233019.db2.gz ARJAVHBFBSPZAZ-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072974 557233193 /nfs/dbraw/zinc/23/31/93/557233193.db2.gz MFRIGRKYAFXSCD-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(Cl)c1 ZINC000098072991 557233220 /nfs/dbraw/zinc/23/32/20/557233220.db2.gz WMWXYTIXJKHPEI-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073025 557233252 /nfs/dbraw/zinc/23/32/52/557233252.db2.gz LLLVUTISDMHDIY-UHFFFAOYSA-N 0 0 449.075 5.576 50 0 IKAARN Cc1cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)ccc1Cl ZINC000098073000 557233357 /nfs/dbraw/zinc/23/33/57/557233357.db2.gz LPHUATQOKRQNOJ-UHFFFAOYSA-N 0 0 428.657 5.231 50 0 IKAARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000098086756 557233643 /nfs/dbraw/zinc/23/36/43/557233643.db2.gz VNRRRZKMDRXIPI-UHFFFAOYSA-N 0 0 439.939 5.830 50 0 IKAARN Cc1ccc(C(=O)Nc2cccc(-c3nn4c(nnc4C(F)(F)F)s3)c2)c(Cl)c1 ZINC000098086967 557233729 /nfs/dbraw/zinc/23/37/29/557233729.db2.gz VAYUMUIUDSRSEV-UHFFFAOYSA-N 0 0 437.834 5.086 50 0 IKAARN O=C(Cc1csc(-c2ccco2)n1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026069585 557233734 /nfs/dbraw/zinc/23/37/34/557233734.db2.gz VATOLUOOFALIFJ-UHFFFAOYSA-N 0 0 440.528 5.115 50 0 IKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1 ZINC000026089620 557233923 /nfs/dbraw/zinc/23/39/23/557233923.db2.gz JVSNAZWMYFOUBL-UHFFFAOYSA-N 0 0 435.574 5.301 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026089673 557233991 /nfs/dbraw/zinc/23/39/91/557233991.db2.gz BFJUYAALBNCNOJ-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000018045695 557234635 /nfs/dbraw/zinc/23/46/35/557234635.db2.gz HOFKOZBBHXEODO-WMPKNSHKSA-N 0 0 428.482 6.143 50 0 IKAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1F ZINC000098211401 557234880 /nfs/dbraw/zinc/23/48/80/557234880.db2.gz LQLRPWWTKYPUJU-UHFFFAOYSA-N 0 0 434.471 5.115 50 0 IKAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000026121196 557235192 /nfs/dbraw/zinc/23/51/92/557235192.db2.gz MCYSPACNQPUAJB-UHFFFAOYSA-N 0 0 440.975 5.021 50 0 IKAARN CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 ZINC000100003644 557236897 /nfs/dbraw/zinc/23/68/97/557236897.db2.gz BJNNOFQXTSZGIC-PSWAGMNNSA-N 0 0 436.636 8.329 50 0 IKAARN O=C(CSc1nc2ccccc2o1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018110738 557237594 /nfs/dbraw/zinc/23/75/94/557237594.db2.gz ZUZNUAZGQXXMLU-UHFFFAOYSA-N 0 0 440.528 5.089 50 0 IKAARN Fc1ccccc1[C@H]1CC(c2ccc(Br)s2)=Nc2nc3ccccc3n21 ZINC000101089839 557237859 /nfs/dbraw/zinc/23/78/59/557237859.db2.gz FUCZJCQBCAYIOO-QGZVFWFLSA-N 0 0 426.314 6.055 50 0 IKAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005677879 557237881 /nfs/dbraw/zinc/23/78/81/557237881.db2.gz LVZKOHSROFEFJQ-UHFFFAOYSA-N 0 0 427.592 6.246 50 0 IKAARN Cc1c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cnn1-c1ccc(F)cc1 ZINC000026261246 557238344 /nfs/dbraw/zinc/23/83/44/557238344.db2.gz UNYZQKYZMBJLLD-UHFFFAOYSA-N 0 0 436.874 5.200 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000026390389 557240135 /nfs/dbraw/zinc/24/01/35/557240135.db2.gz FCYQFHMMYKLFNU-UHFFFAOYSA-N 0 0 437.565 5.821 50 0 IKAARN COc1ccc(Br)cc1-c1nc(CSc2ncc3ccccn32)cs1 ZINC000026407329 557240748 /nfs/dbraw/zinc/24/07/48/557240748.db2.gz WTZDLVQZTWDWGF-UHFFFAOYSA-N 0 0 432.368 5.521 50 0 IKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026460651 557241701 /nfs/dbraw/zinc/24/17/01/557241701.db2.gz AYNHOYAJONSUEY-QGZVFWFLSA-N 0 0 436.364 5.621 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000026461380 557241867 /nfs/dbraw/zinc/24/18/67/557241867.db2.gz NGCOCSYECKWQCU-LJQANCHMSA-N 0 0 434.298 5.391 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncnc3SCc3ccc(Cl)cc3)[C@H]2C2=C1CCC2 ZINC000026464338 557241958 /nfs/dbraw/zinc/24/19/58/557241958.db2.gz VXPUVNNOJLOVOH-DENIHFKCSA-N 0 0 442.053 7.063 50 0 IKAARN CCCCC1=N[C@H]2Sc3c(ncnc3SCc3ccc(Cl)cc3)[C@H]2C2=C1CCC2 ZINC000026464345 557241976 /nfs/dbraw/zinc/24/19/76/557241976.db2.gz VXPUVNNOJLOVOH-KNQAVFIVSA-N 0 0 442.053 7.063 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1ccccc1 ZINC000100141890 557242550 /nfs/dbraw/zinc/24/25/50/557242550.db2.gz INOPNVAUVHXHDD-MHZLTWQESA-N 0 0 443.591 6.011 50 0 IKAARN CC(C)C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000018131381 557242600 /nfs/dbraw/zinc/24/26/00/557242600.db2.gz KBWAVFVIZJEUBO-SANMLTNESA-N 0 0 428.576 5.596 50 0 IKAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000026543071 557244070 /nfs/dbraw/zinc/24/40/70/557244070.db2.gz NSOQKMAAUKXUTH-UHFFFAOYSA-N 0 0 427.469 5.171 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000032951480 557244442 /nfs/dbraw/zinc/24/44/42/557244442.db2.gz UTABAIAGJJIKAI-UHFFFAOYSA-N 0 0 432.955 5.605 50 0 IKAARN COc1ccccc1-c1noc(CSc2ccc(-c3ccc(CC(C)C)cc3)nn2)n1 ZINC000032951351 557245166 /nfs/dbraw/zinc/24/51/66/557245166.db2.gz NMZNNIOJTURVQQ-UHFFFAOYSA-N 0 0 432.549 5.693 50 0 IKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(F)c(Cl)c4)no3)nn2)cc1C ZINC000032951364 557245578 /nfs/dbraw/zinc/24/55/78/557245578.db2.gz NSSHNKDYMBDNQV-UHFFFAOYSA-N 0 0 426.904 5.895 50 0 IKAARN CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl ZINC000018173246 557245675 /nfs/dbraw/zinc/24/56/75/557245675.db2.gz SLUQRCFTBKXEDW-UHFFFAOYSA-N 0 0 425.768 6.975 50 0 IKAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000026687344 557246507 /nfs/dbraw/zinc/24/65/07/557246507.db2.gz FUIAQFQHNYOZQY-OQKWZONESA-N 0 0 447.604 5.232 50 0 IKAARN Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000018182199 557246580 /nfs/dbraw/zinc/24/65/80/557246580.db2.gz ODXMXNAZUSNTCA-DYESRHJHSA-N 0 0 429.586 5.533 50 0 IKAARN CCCCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000026688734 557246740 /nfs/dbraw/zinc/24/67/40/557246740.db2.gz CAUWYHUWNHYPAI-QPLCGJKRSA-N 0 0 431.561 6.485 50 0 IKAARN CCN(CC)C(=S)Sc1c2ccccc2n(Cc2ccccc2)c1-c1ccccc1 ZINC000018193592 557246964 /nfs/dbraw/zinc/24/69/64/557246964.db2.gz JLMODQTULYWDQG-UHFFFAOYSA-N 0 0 430.642 7.075 50 0 IKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000012569810 557248736 /nfs/dbraw/zinc/24/87/36/557248736.db2.gz HPCBEBPXWDVCSP-NTCAYCPXSA-N 0 0 439.946 5.791 50 0 IKAARN Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000026829454 557249535 /nfs/dbraw/zinc/24/95/35/557249535.db2.gz RFFYCFQYWGCQFK-SFHVURJKSA-N 0 0 447.585 5.745 50 0 IKAARN CCOc1ccc(Cl)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000026843841 557249539 /nfs/dbraw/zinc/24/95/39/557249539.db2.gz BVSTWNYMBKSINM-UHFFFAOYSA-N 0 0 432.712 5.361 50 0 IKAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2c(CC)cccc2CC)c1N ZINC000032952352 557249726 /nfs/dbraw/zinc/24/97/26/557249726.db2.gz KXPFVCWNOWHLQI-UHFFFAOYSA-N 0 0 427.595 5.626 50 0 IKAARN Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000026852087 557249781 /nfs/dbraw/zinc/24/97/81/557249781.db2.gz WTDXSHNXEDCIFK-IRXDYDNUSA-N 0 0 433.343 5.027 50 0 IKAARN COc1ccc(Cl)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000072265270 557250414 /nfs/dbraw/zinc/25/04/14/557250414.db2.gz XKYMLGBFFVIOKD-SANMLTNESA-N 0 0 448.994 5.513 50 0 IKAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCc1c(F)cccc1Cl ZINC000032952555 557251262 /nfs/dbraw/zinc/25/12/62/557251262.db2.gz BHUQNPFBAQERQO-UHFFFAOYSA-N 0 0 449.985 5.600 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000005688284 557251524 /nfs/dbraw/zinc/25/15/24/557251524.db2.gz WCVUEYKLQOPBJZ-RUZDIDTESA-N 0 0 427.548 5.177 50 0 IKAARN Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 ZINC000012651120 557251550 /nfs/dbraw/zinc/25/15/50/557251550.db2.gz FNHPUOQHZAUOJA-UHFFFAOYSA-N 0 0 427.287 6.128 50 0 IKAARN CCCCC1=N[C@@H]2Sc3c(ncn4c(SCc5ccccc5)nnc34)[C@H]2C2=C1CCC2 ZINC000026959949 557252147 /nfs/dbraw/zinc/25/21/47/557252147.db2.gz GPPLAZKVPMJOLV-AUSIDOKSSA-N 0 0 447.633 6.057 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)n2)cc1 ZINC000018209736 557252222 /nfs/dbraw/zinc/25/22/22/557252222.db2.gz JOMMXMBPNVRQMV-OKILXGFUSA-N 0 0 439.503 5.053 50 0 IKAARN CCO[P@@](=O)(c1ccccc1)[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000026962884 557252399 /nfs/dbraw/zinc/25/23/99/557252399.db2.gz SGDZPTMIISDAHO-QUGAMOGWSA-N 0 0 434.687 5.061 50 0 IKAARN CCO[P@](=O)(c1ccccc1)[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000026962874 557252487 /nfs/dbraw/zinc/25/24/87/557252487.db2.gz SGDZPTMIISDAHO-WGDIFIGCSA-N 0 0 434.687 5.061 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000018238986 557253694 /nfs/dbraw/zinc/25/36/94/557253694.db2.gz RFGWLCSDLRNSJT-UHFFFAOYSA-N 0 0 436.533 5.040 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000018239026 557253726 /nfs/dbraw/zinc/25/37/26/557253726.db2.gz USQPYCJXXADDOO-HSZRJFAPSA-N 0 0 428.488 5.390 50 0 IKAARN COc1ccccc1C(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000027016271 557253943 /nfs/dbraw/zinc/25/39/43/557253943.db2.gz XOZVQGZENRYJGY-HNNXBMFYSA-N 0 0 425.164 5.567 50 0 IKAARN Brc1cccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c1 ZINC000101100867 557255635 /nfs/dbraw/zinc/25/56/35/557255635.db2.gz OSXIYGBLZPUGNF-JOCHJYFZSA-N 0 0 429.321 5.764 50 0 IKAARN CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)c(OC)c1)c1ccc3ccccc3c1O2 ZINC000101111928 557255960 /nfs/dbraw/zinc/25/59/60/557255960.db2.gz DOWXFBCQAPJDAG-HSZRJFAPSA-N 0 0 441.531 5.619 50 0 IKAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000032952952 557256569 /nfs/dbraw/zinc/25/65/69/557256569.db2.gz ARSGEIWPCSUTAO-UHFFFAOYSA-N 0 0 436.559 5.184 50 0 IKAARN Cc1ccc2sc(-c3ccc(N4C(=O)C[C@H](Sc5ccc(N)cc5)C4=O)cc3)nc2c1 ZINC000100284020 557256564 /nfs/dbraw/zinc/25/65/64/557256564.db2.gz QZDLMIRUNBRTEU-NRFANRHFSA-N 0 0 445.569 5.278 50 0 IKAARN CC[C@@H](C)n1c(SCc2nnc(C(C)(C)C)o2)nc2sc3c(c2c1=O)CCCCC3 ZINC000027224424 557258853 /nfs/dbraw/zinc/25/88/53/557258853.db2.gz ZHJQUZRXYFVOOQ-CYBMUJFWSA-N 0 0 446.642 5.671 50 0 IKAARN CCCCOC(=O)c1ccc(/C=C2\SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000027229703 557259185 /nfs/dbraw/zinc/25/91/85/557259185.db2.gz PYPZFSRAXAVWNH-PDGQHHTCSA-N 0 0 449.450 5.903 50 0 IKAARN Cc1cc(Br)c(Cl)cc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2C1=O ZINC000100394396 557259631 /nfs/dbraw/zinc/25/96/31/557259631.db2.gz VXXMOYSZEUWRGL-OAGGEKHMSA-N 0 0 432.745 5.484 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccco1 ZINC000100425070 557260833 /nfs/dbraw/zinc/26/08/33/557260833.db2.gz RVIPYCANLASKAA-DEOSSOPVSA-N 0 0 443.572 6.943 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 ZINC000100429364 557261069 /nfs/dbraw/zinc/26/10/69/557261069.db2.gz YQRBNQVNMVZFGP-WINIVTDRSA-N 0 0 426.516 6.333 50 0 IKAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000027409186 557262153 /nfs/dbraw/zinc/26/21/53/557262153.db2.gz LJBKPNFSCSLKBN-UHFFFAOYSA-N 0 0 447.560 5.500 50 0 IKAARN CCC(CC)(NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000072271035 557262556 /nfs/dbraw/zinc/26/25/56/557262556.db2.gz LSZCWEQJOCHOBY-UHFFFAOYSA-N 0 0 428.747 5.583 50 0 IKAARN COc1cc(-c2c(NC(=O)c3ccc(C)cc3)oc3ccccc3c2=O)cc(OC)c1OC ZINC000101192132 557263018 /nfs/dbraw/zinc/26/30/18/557263018.db2.gz SUVMPQMMCLJVQS-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3cccs3)oc3ccc(Cl)cc3c2=O)cc1OC ZINC000101192186 557263041 /nfs/dbraw/zinc/26/30/41/557263041.db2.gz LRDHGWKTZDGJAN-UHFFFAOYSA-N 0 0 441.892 5.444 50 0 IKAARN CCOc1ccc(Nc2cc(Nc3ccc(C)c(Cl)c3)cc(N3CCOCC3)c2)cc1 ZINC000027546474 557264733 /nfs/dbraw/zinc/26/47/33/557264733.db2.gz IRGHADVXGQAPPH-UHFFFAOYSA-N 0 0 437.971 6.371 50 0 IKAARN C[C@@H]1CC[C@@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100580497 557265377 /nfs/dbraw/zinc/26/53/77/557265377.db2.gz LDALHFVGDABISL-VOBQZIQPSA-N 0 0 443.341 5.032 50 0 IKAARN Cc1nn2c(nc3c(c2Nc2ccc(Br)cc2)CCCC3)c1-c1ccccc1 ZINC000027584938 557266885 /nfs/dbraw/zinc/26/68/85/557266885.db2.gz PUOQCXPOJYBQOB-UHFFFAOYSA-N 0 0 433.353 6.090 50 0 IKAARN COc1ccc(-c2nc(CSc3nncn3-c3ccc(C)cc3C)cs2)c(OC)c1 ZINC000027594475 557267086 /nfs/dbraw/zinc/26/70/86/557267086.db2.gz HZQDQQWOZBWKHZ-UHFFFAOYSA-N 0 0 438.578 5.317 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000820437 557267476 /nfs/dbraw/zinc/26/74/76/557267476.db2.gz IHJIYDUNPXRWBC-UHFFFAOYSA-N 0 0 438.918 6.277 50 0 IKAARN COc1ccc(C2=Nc3nc(-c4ccc(C)cc4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000101288376 557268616 /nfs/dbraw/zinc/26/86/16/557268616.db2.gz FMLMGXWMPXDWEB-QHCPKHFHSA-N 0 0 428.923 5.972 50 0 IKAARN CC[C@@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl ZINC000000823213 557268882 /nfs/dbraw/zinc/26/88/82/557268882.db2.gz VOOLDIGNBZELOQ-KXBFYZLASA-N 0 0 439.364 5.595 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 ZINC000027663215 557269384 /nfs/dbraw/zinc/26/93/84/557269384.db2.gz FYIZJZZBWNKQDA-UHFFFAOYSA-N 0 0 435.321 6.054 50 0 IKAARN Cc1c2ccc(Br)cc2oc1C(=O)N(Cc1cccs1)c1ncccc1C ZINC000027663628 557269733 /nfs/dbraw/zinc/26/97/33/557269733.db2.gz OUJKORLWWPTRIO-UHFFFAOYSA-N 0 0 441.350 6.116 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(C)c1 ZINC000027664486 557270240 /nfs/dbraw/zinc/27/02/40/557270240.db2.gz OUCZHNDLEJRVEP-KRWDZBQOSA-N 0 0 444.487 5.408 50 0 IKAARN O=C(c1ccccc1)C(C(=O)c1ccccc1)c1c(-c2ccccc2)n[nH]c1-c1ccccc1 ZINC000100698223 557270429 /nfs/dbraw/zinc/27/04/29/557270429.db2.gz LOMCGYABXOFIED-UHFFFAOYSA-N 0 0 442.518 6.593 50 0 IKAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)cc1 ZINC000008395328 557270595 /nfs/dbraw/zinc/27/05/95/557270595.db2.gz OKLBQGSHGVSZRL-INIZCTEOSA-N 0 0 425.554 5.345 50 0 IKAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)o2)cc1 ZINC000008395212 557270670 /nfs/dbraw/zinc/27/06/70/557270670.db2.gz FSIBKOHHWYESGA-MIALQEHNSA-N 0 0 430.618 5.004 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827039 557270705 /nfs/dbraw/zinc/27/07/05/557270705.db2.gz PESMZIUFAGBSHV-UHFFFAOYSA-N 0 0 440.809 5.521 50 0 IKAARN CSc1nc2n(n1)[C@H](c1ccc(Br)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100717379 557271085 /nfs/dbraw/zinc/27/10/85/557271085.db2.gz OHMLIDYFXQCEFR-INIZCTEOSA-N 0 0 433.762 5.472 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000100720505 557271100 /nfs/dbraw/zinc/27/11/00/557271100.db2.gz QGORPPLRKSEACI-IRLDBZIGSA-N 0 0 447.724 7.028 50 0 IKAARN Cc1nc2n(n1)[C@H](c1ccccc1OC(F)F)CC(c1ccc(-c3ccccc3)cc1)=N2 ZINC000100716807 557271140 /nfs/dbraw/zinc/27/11/40/557271140.db2.gz HXVOIKBDVZHIRQ-QFIPXVFZSA-N 0 0 430.458 5.911 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 ZINC000027689239 557271598 /nfs/dbraw/zinc/27/15/98/557271598.db2.gz BTFHONXGPVFKJV-GFCCVEGCSA-N 0 0 433.291 5.187 50 0 IKAARN CCCOc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC000027744611 557272545 /nfs/dbraw/zinc/27/25/45/557272545.db2.gz RIRXSADSBLSONG-XMMPIXPASA-N 0 0 428.532 5.527 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027746207 557272819 /nfs/dbraw/zinc/27/28/19/557272819.db2.gz CTGJQIYNYBVAQO-JOCHJYFZSA-N 0 0 434.923 5.157 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)c2c[nH]c3ccccc32)cc1 ZINC000027746287 557272851 /nfs/dbraw/zinc/27/28/51/557272851.db2.gz UQEKMKISJMFFJA-QHCPKHFHSA-N 0 0 428.532 5.120 50 0 IKAARN COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027746219 557272864 /nfs/dbraw/zinc/27/28/64/557272864.db2.gz CTGJQIYNYBVAQO-QFIPXVFZSA-N 0 0 434.923 5.157 50 0 IKAARN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746315 557272878 /nfs/dbraw/zinc/27/28/78/557272878.db2.gz BMCZEVUAKQXAIU-JOCHJYFZSA-N 0 0 448.950 5.465 50 0 IKAARN COc1cc(-c2nnc(SCc3cccnc3)n2C2CCCCC2)cc(OC)c1OC ZINC000027765501 557273443 /nfs/dbraw/zinc/27/34/43/557273443.db2.gz CJCSACRLXFLRMM-UHFFFAOYSA-N 0 0 440.569 5.163 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000011024199 557273542 /nfs/dbraw/zinc/27/35/42/557273542.db2.gz AWWZBIYVZZGBRI-UHFFFAOYSA-N 0 0 441.490 6.962 50 0 IKAARN CC1(C)Cc2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2C(=O)C1 ZINC000011024123 557273591 /nfs/dbraw/zinc/27/35/91/557273591.db2.gz OSTHVCRPWWSHSI-UHFFFAOYSA-N 0 0 439.587 5.889 50 0 IKAARN CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 ZINC000027776708 557273725 /nfs/dbraw/zinc/27/37/25/557273725.db2.gz AFTPSOOJOPTDHS-CYBMUJFWSA-N 0 0 426.929 5.399 50 0 IKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2OC)n1 ZINC000027776403 557273775 /nfs/dbraw/zinc/27/37/75/557273775.db2.gz KGWHIZGTTCROOW-CYBMUJFWSA-N 0 0 427.555 5.193 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cc(C)ccc3C)CC2=O)cc1 ZINC000027792721 557274126 /nfs/dbraw/zinc/27/41/26/557274126.db2.gz XJQFEAHLZIYLJP-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000027792683 557274152 /nfs/dbraw/zinc/27/41/52/557274152.db2.gz GIWVFLOKDARPCX-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN COc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2ccccn2)cc1 ZINC000027792838 557274208 /nfs/dbraw/zinc/27/42/08/557274208.db2.gz WRUGEARYSWEZHW-UHFFFAOYSA-N 0 0 434.879 5.005 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2cc(Br)ccc2o1 ZINC000027794600 557274810 /nfs/dbraw/zinc/27/48/10/557274810.db2.gz XIJGNYJZHOBPPE-UHFFFAOYSA-N 0 0 446.606 5.480 50 0 IKAARN C[C@H](OC(=O)/C=C/c1cccc(Cl)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013072463 557274937 /nfs/dbraw/zinc/27/49/37/557274937.db2.gz VMAKWNUPHIGSDL-ZCRIDZFUSA-N 0 0 448.878 5.325 50 0 IKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000101373526 557276485 /nfs/dbraw/zinc/27/64/85/557276485.db2.gz DBAXYIIMUYORRC-PIIWDFAUSA-N 0 0 440.518 6.786 50 0 IKAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]2C1 ZINC000100893508 557277913 /nfs/dbraw/zinc/27/79/13/557277913.db2.gz QTCJFMOFDDJBDD-CSMYWGQOSA-N 0 0 432.303 5.138 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCCC1)c1ccc(Br)cc1 ZINC000101368262 557278012 /nfs/dbraw/zinc/27/80/12/557278012.db2.gz ZXHMKAYAXCWPRH-UHFFFAOYSA-N 0 0 441.325 5.552 50 0 IKAARN O=C(COc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000100912689 557278361 /nfs/dbraw/zinc/27/83/61/557278361.db2.gz MRTXQWLAWHUFNO-JWQCQUIFSA-N 0 0 437.495 5.071 50 0 IKAARN Cc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 ZINC000101350389 557280104 /nfs/dbraw/zinc/28/01/04/557280104.db2.gz DHQBDNZSHZEZSL-DEOSSOPVSA-N 0 0 447.542 5.397 50 0 IKAARN CC1=C(CC(=O)NCc2ccco2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101378555 557281468 /nfs/dbraw/zinc/28/14/68/557281468.db2.gz QWSIAAFSNMINOX-JELJHHCJSA-N 0 0 435.520 5.190 50 0 IKAARN COc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/C3CCCCC3)c2c1 ZINC000101379460 557281673 /nfs/dbraw/zinc/28/16/73/557281673.db2.gz SIJWMDOKCUJTRK-BYCLXTJYSA-N 0 0 431.605 6.183 50 0 IKAARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccc(Br)o1 ZINC000101094209 557282755 /nfs/dbraw/zinc/28/27/55/557282755.db2.gz GFXNEWFFQHKMEI-UHFFFAOYSA-N 0 0 439.265 5.013 50 0 IKAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1cccc2ccccc21 ZINC000011665527 557284209 /nfs/dbraw/zinc/28/42/09/557284209.db2.gz KBAVOIBHENHNIY-UHFFFAOYSA-N 0 0 442.482 5.259 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(COc2ccccc2)cc1 ZINC000023043336 557284801 /nfs/dbraw/zinc/28/48/01/557284801.db2.gz JQAPRAYXJGSFPH-UHFFFAOYSA-N 0 0 438.409 5.117 50 0 IKAARN COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccc(F)cc3)c2cc1OC ZINC000101489071 557287936 /nfs/dbraw/zinc/28/79/36/557287936.db2.gz UMUYNYFFTQSTTL-UHFFFAOYSA-N 0 0 427.479 5.716 50 0 IKAARN Cc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)c1 ZINC000101489188 557288233 /nfs/dbraw/zinc/28/82/33/557288233.db2.gz BTQVHBSPKPFIRY-UHFFFAOYSA-N 0 0 427.891 5.942 50 0 IKAARN COc1cccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc4c(cc32)OCCO4)c1 ZINC000101489266 557288329 /nfs/dbraw/zinc/28/83/29/557288329.db2.gz OUGXQAXTIFNDMY-UHFFFAOYSA-N 0 0 437.499 5.340 50 0 IKAARN Clc1ccc(C2=Nc3ccccc3C(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 ZINC000101491011 557288332 /nfs/dbraw/zinc/28/83/32/557288332.db2.gz CERNYAMKSNGAMW-UHFFFAOYSA-N 0 0 427.334 7.645 50 0 IKAARN O=c1c2c3c(sc2[nH]c2c1CCCCC2)C(=O)C(Br)(Br)CC3 ZINC000101313597 557289533 /nfs/dbraw/zinc/28/95/33/557289533.db2.gz HYRJGLHHFNQNQX-MRVPVSSYSA-N 0 0 445.176 5.212 50 0 IKAARN CC(=O)Nc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000101500594 557289511 /nfs/dbraw/zinc/28/95/11/557289511.db2.gz LVUAMUMQPLNJMS-UZUQRXQVSA-N 0 0 429.476 5.255 50 0 IKAARN CC(=O)Nc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000101500595 557289536 /nfs/dbraw/zinc/28/95/36/557289536.db2.gz LVUAMUMQPLNJMS-SBUREZEXSA-N 0 0 429.476 5.255 50 0 IKAARN Clc1ccc(C2=Nc3nc(-c4ccccc4)nn3[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000101514224 557290496 /nfs/dbraw/zinc/29/04/96/557290496.db2.gz SZPXNCQBMQOYSG-HXUWFJFHSA-N 0 0 428.879 5.383 50 0 IKAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000101641767 557292185 /nfs/dbraw/zinc/29/21/85/557292185.db2.gz FTVUWJGVSCEKPL-QGZVFWFLSA-N 0 0 447.283 5.260 50 0 IKAARN CCc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000101638872 557292226 /nfs/dbraw/zinc/29/22/26/557292226.db2.gz MPBXHPONGCMAOM-HSZRJFAPSA-N 0 0 430.349 6.417 50 0 IKAARN CCN(CC)c1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)c(C)c1 ZINC000101681185 557295074 /nfs/dbraw/zinc/29/50/74/557295074.db2.gz PJSAOKMUWDYTOF-NRFANRHFSA-N 0 0 446.595 5.316 50 0 IKAARN FC(F)(F)c1ccc(Cl)c(N2N=C(/C=C\c3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000033387632 557296418 /nfs/dbraw/zinc/29/64/18/557296418.db2.gz BWXBGYOYBJHZGE-YLQXFRFJSA-N 0 0 426.869 7.380 50 0 IKAARN Clc1cccc(-n2c(SCc3ncc(-c4ccccc4)o3)nnc2N2CCCC2)c1 ZINC000013121278 557296517 /nfs/dbraw/zinc/29/65/17/557296517.db2.gz QGFQBBAWKOPDNJ-UHFFFAOYSA-N 0 0 437.956 5.468 50 0 IKAARN CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 ZINC000014068935 557297265 /nfs/dbraw/zinc/29/72/65/557297265.db2.gz ALIOMSRUYYKIDQ-QGZVFWFLSA-N 0 0 445.548 5.272 50 0 IKAARN CCCOc1ccc(/C=C/C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1OCC ZINC000013129275 557297490 /nfs/dbraw/zinc/29/74/90/557297490.db2.gz HUJKGVOAGRUULD-FMIVXFBMSA-N 0 0 436.504 5.354 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1cccc(Cl)c1 ZINC000031903690 557297629 /nfs/dbraw/zinc/29/76/29/557297629.db2.gz BWIJTPOWDFCUPC-OSICKASQSA-N 0 0 427.935 5.924 50 0 IKAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1Cl ZINC000014071399 557298035 /nfs/dbraw/zinc/29/80/35/557298035.db2.gz DFQDXXKZWHZLQC-LBPRGKRZSA-N 0 0 433.364 5.571 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccc(Cl)cc1 ZINC000101797453 557298974 /nfs/dbraw/zinc/29/89/74/557298974.db2.gz PBSBEZISDRRSSI-NRFANRHFSA-N 0 0 445.885 5.379 50 0 IKAARN Cc1noc(-c2cccnc2)c1C(=O)N1CCC[C@@H](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000023324280 557299120 /nfs/dbraw/zinc/29/91/20/557299120.db2.gz WGFMAMCHKBDEAJ-NRFANRHFSA-N 0 0 431.580 5.828 50 0 IKAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000014076452 557299451 /nfs/dbraw/zinc/29/94/51/557299451.db2.gz CFOHNINPAUANFL-UHFFFAOYSA-N 0 0 428.410 5.076 50 0 IKAARN O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014084349 557299978 /nfs/dbraw/zinc/29/99/78/557299978.db2.gz ZXMJZDKTHVWOJF-UHFFFAOYSA-N 0 0 432.373 5.162 50 0 IKAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1OC ZINC000013149905 557300506 /nfs/dbraw/zinc/30/05/06/557300506.db2.gz KIWHTEMFWRKGBB-UHFFFAOYSA-N 0 0 433.346 5.099 50 0 IKAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000011666865 557301562 /nfs/dbraw/zinc/30/15/62/557301562.db2.gz MEFGIUZBYAWXQP-UHFFFAOYSA-N 0 0 440.927 6.358 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccc(F)cc4)nn3[C@H](c3ccccc3)C2)cc1 ZINC000101835330 557301596 /nfs/dbraw/zinc/30/15/96/557301596.db2.gz WORHWFLZUJRNOO-QFIPXVFZSA-N 0 0 425.467 5.034 50 0 IKAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccc(Cl)cc2)=N3)c1 ZINC000101835236 557301608 /nfs/dbraw/zinc/30/16/08/557301608.db2.gz DAHZVWODEWBLDY-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(Cl)c4)nn3[C@H](c3ccccc3)C2)cc1 ZINC000101835389 557301965 /nfs/dbraw/zinc/30/19/65/557301965.db2.gz DHIJRTYOERLCFW-QFIPXVFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4cccc(Cl)c4)nn32)cc1 ZINC000101835624 557302187 /nfs/dbraw/zinc/30/21/87/557302187.db2.gz YBCBSWKLEVNORR-JOCHJYFZSA-N 0 0 441.922 5.548 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccccc4F)nn32)cc1 ZINC000101835590 557302210 /nfs/dbraw/zinc/30/22/10/557302210.db2.gz GXXIHTHTSRHXJB-QFIPXVFZSA-N 0 0 425.467 5.034 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101836569 557302929 /nfs/dbraw/zinc/30/29/29/557302929.db2.gz GZWPGMUEFFJBKK-NRFANRHFSA-N 0 0 427.895 5.240 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1ccc(F)cc1 ZINC000101836597 557302950 /nfs/dbraw/zinc/30/29/50/557302950.db2.gz SUAHQLJRMJCAOK-NRFANRHFSA-N 0 0 445.885 5.379 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccco4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101837024 557303230 /nfs/dbraw/zinc/30/32/30/557303230.db2.gz DWZOZOSIIHBYCP-LJQANCHMSA-N 0 0 431.883 5.141 50 0 IKAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101836738 557303249 /nfs/dbraw/zinc/30/32/49/557303249.db2.gz GENNMEWZSVBGGY-SFHVURJKSA-N 0 0 428.323 5.380 50 0 IKAARN CC(C)CC(=O)Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2 ZINC000101837232 557303260 /nfs/dbraw/zinc/30/32/60/557303260.db2.gz DQMFFPLSJAVTPP-SFHVURJKSA-N 0 0 425.895 5.111 50 0 IKAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101837281 557303426 /nfs/dbraw/zinc/30/34/26/557303426.db2.gz JCJMNPUZYVZXMZ-KRWDZBQOSA-N 0 0 446.313 5.519 50 0 IKAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837541 557303465 /nfs/dbraw/zinc/30/34/65/557303465.db2.gz AQWWJZPISBGTDL-LJQANCHMSA-N 0 0 439.922 5.420 50 0 IKAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccc(C)cc1)=N2 ZINC000101837421 557303484 /nfs/dbraw/zinc/30/34/84/557303484.db2.gz OCEFCOYFKPZSNL-GOSISDBHSA-N 0 0 425.895 5.174 50 0 IKAARN CCC(=O)Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101837273 557303496 /nfs/dbraw/zinc/30/34/96/557303496.db2.gz XPQGMXOSEOZVCG-INIZCTEOSA-N 0 0 432.286 5.129 50 0 IKAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccc(C)cc1)=N2 ZINC000101837417 557303499 /nfs/dbraw/zinc/30/34/99/557303499.db2.gz OCEFCOYFKPZSNL-SFHVURJKSA-N 0 0 425.895 5.174 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1Oc3ccc(Cl)cc3[C@@H]3Oc4ccc(Cl)cc4[C@H](O2)N13 ZINC000230126835 557303525 /nfs/dbraw/zinc/30/35/25/557303525.db2.gz FIMOUKLUPREBRQ-ACRUOGEOSA-N 0 0 432.690 6.522 50 0 IKAARN CCC(=O)Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101837277 557303518 /nfs/dbraw/zinc/30/35/18/557303518.db2.gz XPQGMXOSEOZVCG-MRXNPFEDSA-N 0 0 432.286 5.129 50 0 IKAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)C2)cc1 ZINC000101880711 557304961 /nfs/dbraw/zinc/30/49/61/557304961.db2.gz MHSLKMITVAMLDY-UHFFFAOYSA-N 0 0 446.938 5.102 50 0 IKAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)C2)cc1 ZINC000101881369 557305385 /nfs/dbraw/zinc/30/53/85/557305385.db2.gz GQPXWZDRCFYMPM-UHFFFAOYSA-N 0 0 426.520 5.010 50 0 IKAARN Cc1ccc(NC(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2cccs2)cc1 ZINC000013306702 557306410 /nfs/dbraw/zinc/30/64/10/557306410.db2.gz GUGQWUFTWKDRKX-QGOAFFKASA-N 0 0 441.350 5.229 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cnn2c1N=C(c1ccccc1)C[C@@H]2c1ccccc1 ZINC000101968900 557306698 /nfs/dbraw/zinc/30/66/98/557306698.db2.gz IYAGYYQRWFBHDH-HSZRJFAPSA-N 0 0 426.907 5.845 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCCC1=N2 ZINC000101945798 557307792 /nfs/dbraw/zinc/30/77/92/557307792.db2.gz YYSYEJMPNMPNPP-QGZVFWFLSA-N 0 0 429.442 5.180 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C(=O)[C@H]1CCCC1=N2 ZINC000101946108 557308142 /nfs/dbraw/zinc/30/81/42/557308142.db2.gz WECMECWKFLKTJY-QHCPKHFHSA-N 0 0 443.591 5.004 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CCCC1=N2 ZINC000101946328 557308153 /nfs/dbraw/zinc/30/81/53/557308153.db2.gz CIQHOIKNBCIXLH-HNNXBMFYSA-N 0 0 429.442 5.180 50 0 IKAARN O=C(CN1c2ccccc2N=C2CCC[C@H]2C1=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000101946647 557308295 /nfs/dbraw/zinc/30/82/95/557308295.db2.gz IWBXFQISBRJAGL-CYBMUJFWSA-N 0 0 435.833 5.217 50 0 IKAARN CCOc1ccccc1NC(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O ZINC000101947765 557308659 /nfs/dbraw/zinc/30/86/59/557308659.db2.gz PGRTZVFQOWEDMM-UHFFFAOYSA-N 0 0 447.560 5.260 50 0 IKAARN CSc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101947949 557308661 /nfs/dbraw/zinc/30/86/61/557308661.db2.gz LWKIXUIPOCFQLX-UHFFFAOYSA-N 0 0 449.601 5.583 50 0 IKAARN COc1cccc(CN2c3ccccc3N=C(c3ccc(Br)s3)CC2=O)c1 ZINC000101948151 557308663 /nfs/dbraw/zinc/30/86/63/557308663.db2.gz URTOSBWCZGMWRT-UHFFFAOYSA-N 0 0 441.350 5.577 50 0 IKAARN Cc1cc2c(cc1C)N(CC(=O)NCCC1=CCCCC1)C(=O)CC(c1cccs1)=N2 ZINC000101947777 557308677 /nfs/dbraw/zinc/30/86/77/557308677.db2.gz KRZGQFBRJSIJGS-UHFFFAOYSA-N 0 0 435.593 5.229 50 0 IKAARN O=P1(Nc2ccccc2C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000013304834 557308842 /nfs/dbraw/zinc/30/88/42/557308842.db2.gz CTCMTHKNQFNDSI-UHFFFAOYSA-N 0 0 427.362 7.423 50 0 IKAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000002264378 557310088 /nfs/dbraw/zinc/31/00/88/557310088.db2.gz JVIMYEZENJKGFX-UHFFFAOYSA-N 0 0 442.418 5.868 50 0 IKAARN CCCCc1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000004825548 557312404 /nfs/dbraw/zinc/31/24/04/557312404.db2.gz XRQCSWFGFUTJBS-AWEZNQCLSA-N 0 0 426.586 5.024 50 0 IKAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCCN(C(=O)Nc3cccc(F)c3)CC1)=N2 ZINC000103057694 557312506 /nfs/dbraw/zinc/31/25/06/557312506.db2.gz NVBRXSNAERJZNX-UHFFFAOYSA-N 0 0 444.510 5.558 50 0 IKAARN Cc1nnc(COC(=O)c2c3ccccc3nc3c2C[C@@H](C)C/C3=C\c2ccccc2)o1 ZINC000102073533 557312645 /nfs/dbraw/zinc/31/26/45/557312645.db2.gz LZRZZMSPYLIRHU-TWQQJCIXSA-N 0 0 425.488 5.406 50 0 IKAARN CCc1ccc(C2=Nc3c(C(=O)Nc4ccc(C)cc4)cnn3[C@@H](c3ccccc3)C2)cc1 ZINC000102133402 557313322 /nfs/dbraw/zinc/31/33/22/557313322.db2.gz QCNKOFGHUVXAOB-AREMUKBSSA-N 0 0 434.543 6.062 50 0 IKAARN COc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000102133538 557313385 /nfs/dbraw/zinc/31/33/85/557313385.db2.gz PLEABYMPHLDHDE-VWLOTQADSA-N 0 0 436.515 5.508 50 0 IKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nc4sc5c(c4c(N)n3)CC[C@@H](C)C5)o2)cc1 ZINC000032741638 557314769 /nfs/dbraw/zinc/31/47/69/557314769.db2.gz OFZISRUMFTVDHP-CHWSQXEVSA-N 0 0 437.594 5.610 50 0 IKAARN FC(F)(F)c1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(c1ccc(Cl)cc1)=N2 ZINC000102235866 557315128 /nfs/dbraw/zinc/31/51/28/557315128.db2.gz NFVCQOUPKKJLKW-OAHLLOKOSA-N 0 0 445.659 6.313 50 0 IKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1C ZINC000102222957 557315858 /nfs/dbraw/zinc/31/58/58/557315858.db2.gz ZHORDEJFMUGINL-DHTSOJEISA-N 0 0 437.580 6.208 50 0 IKAARN Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000032818010 557315873 /nfs/dbraw/zinc/31/58/73/557315873.db2.gz QKHGYUDQPARPAX-LJQANCHMSA-N 0 0 427.526 5.025 50 0 IKAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000011667247 557315947 /nfs/dbraw/zinc/31/59/47/557315947.db2.gz COBIZKXWNBVKDI-SFHVURJKSA-N 0 0 431.536 5.497 50 0 IKAARN Cc1ccc(CN2c3ccccc3N=C(c3ccc(Br)s3)CC2=O)cc1 ZINC000102301205 557316015 /nfs/dbraw/zinc/31/60/15/557316015.db2.gz POTJYQYUUWMOCL-UHFFFAOYSA-N 0 0 425.351 5.877 50 0 IKAARN FC(F)(F)c1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000102300301 557316044 /nfs/dbraw/zinc/31/60/44/557316044.db2.gz YRPMBMULHYKEDX-AWEZNQCLSA-N 0 0 445.659 6.313 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000011667169 557316673 /nfs/dbraw/zinc/31/66/73/557316673.db2.gz IVPRIZSBSVPTRL-UHFFFAOYSA-N 0 0 447.579 5.992 50 0 IKAARN Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1CCc1ccccc1 ZINC000014200070 557317087 /nfs/dbraw/zinc/31/70/87/557317087.db2.gz NXQXXCFULUJYFZ-UHFFFAOYSA-N 0 0 431.609 5.380 50 0 IKAARN CCOC(=O)c1c(-c2cccs2)csc1NC=C1N=C(c2ccc(C)cc2)OC1=O ZINC000103648568 557317648 /nfs/dbraw/zinc/31/76/48/557317648.db2.gz IDUCIYATEATNBI-WJDWOHSUSA-N 0 0 438.530 5.219 50 0 IKAARN COc1cccc(-n2c3nc(SCc4ccccc4Cl)[nH]c(=O)c3sc2=S)c1 ZINC000032948247 557317837 /nfs/dbraw/zinc/31/78/37/557317837.db2.gz GKIBZKVKWHJSDK-UHFFFAOYSA-N 0 0 447.994 5.459 50 0 IKAARN COc1ccc(-c2nc(CSc3nncn3-c3cccc(Cl)c3)cs2)cc1OC ZINC000032945236 557317911 /nfs/dbraw/zinc/31/79/11/557317911.db2.gz XRWUDSPZQLESLU-UHFFFAOYSA-N 0 0 444.969 5.354 50 0 IKAARN Cc1cc(C)cc(OCCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1 ZINC000011667353 557318526 /nfs/dbraw/zinc/31/85/26/557318526.db2.gz NXSLIWNMJNSIRQ-HXUWFJFHSA-N 0 0 431.536 5.596 50 0 IKAARN Cc1cccc(C)c1OCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000011667337 557318550 /nfs/dbraw/zinc/31/85/50/557318550.db2.gz VWLOXHIOYLZNFG-HXUWFJFHSA-N 0 0 431.536 5.596 50 0 IKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1 ZINC000032955128 557318869 /nfs/dbraw/zinc/31/88/69/557318869.db2.gz TVVSGYFOVHUPPW-UHFFFAOYSA-N 0 0 435.393 6.433 50 0 IKAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1Cl ZINC000104017478 557319118 /nfs/dbraw/zinc/31/91/18/557319118.db2.gz CSUYXPULJWRWEX-RUZDIDTESA-N 0 0 447.922 6.202 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000033389946 557319147 /nfs/dbraw/zinc/31/91/47/557319147.db2.gz FRPINBZZMRIMFW-XCHKQJEOSA-N 0 0 431.985 5.991 50 0 IKAARN Cc1ccc(NC(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)c(Cl)c1 ZINC000032950114 557320311 /nfs/dbraw/zinc/32/03/11/557320311.db2.gz QIVXKUSQAABPTP-UHFFFAOYSA-N 0 0 445.954 5.929 50 0 IKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N(C)Cc3ccccc3)cc21 ZINC000032986629 557320333 /nfs/dbraw/zinc/32/03/33/557320333.db2.gz RJZZCRAZPQWJSS-UHFFFAOYSA-N 0 0 430.935 6.226 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 ZINC000032950159 557320347 /nfs/dbraw/zinc/32/03/47/557320347.db2.gz KTYLNFOVZRLOPC-UHFFFAOYSA-N 0 0 441.963 5.161 50 0 IKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCCC3=CCCCC3)cc21 ZINC000032986450 557320351 /nfs/dbraw/zinc/32/03/51/557320351.db2.gz VJPILEDNMMJUHT-UHFFFAOYSA-N 0 0 430.548 5.929 50 0 IKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCCCC2)c1 ZINC000033009689 557320710 /nfs/dbraw/zinc/32/07/10/557320710.db2.gz BXTXUYNDNGNLAB-UHFFFAOYSA-N 0 0 442.563 6.272 50 0 IKAARN CCCC1CC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)CC(CCC)CC2=O)C(=O)C1 ZINC000102372523 557321093 /nfs/dbraw/zinc/32/10/93/557321093.db2.gz UBRMTQKUEUPZED-UHFFFAOYSA-N 0 0 430.972 5.353 50 0 IKAARN Cc1csc(NC(=O)CSc2nnc(-c3ccc(C)c(C)c3)n2-c2ccccc2)n1 ZINC000033025616 557321236 /nfs/dbraw/zinc/32/12/36/557321236.db2.gz RBOQFIUKYVELEQ-UHFFFAOYSA-N 0 0 435.578 5.047 50 0 IKAARN CCOc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000102425815 557321938 /nfs/dbraw/zinc/32/19/38/557321938.db2.gz FIPGZCAFILWYGU-UHFFFAOYSA-N 0 0 441.531 5.198 50 0 IKAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000102425799 557322056 /nfs/dbraw/zinc/32/20/56/557322056.db2.gz SSCORWZSAIXNSB-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN CCOc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccc(F)cc4)cccc23)cc1OC ZINC000033036849 557322537 /nfs/dbraw/zinc/32/25/37/557322537.db2.gz OTYPJKIVYUKKDO-UHFFFAOYSA-N 0 0 444.506 5.687 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(F)ccc1F)CCCC3 ZINC000033042918 557322782 /nfs/dbraw/zinc/32/27/82/557322782.db2.gz VZDDIOSKDWOIBW-LJQANCHMSA-N 0 0 427.520 6.195 50 0 IKAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1F ZINC000104232253 557323036 /nfs/dbraw/zinc/32/30/36/557323036.db2.gz RATXTWMKLCBDGX-RUZDIDTESA-N 0 0 431.467 5.687 50 0 IKAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000033068719 557323401 /nfs/dbraw/zinc/32/34/01/557323401.db2.gz JIWXAORRARFYEB-UHFFFAOYSA-N 0 0 427.573 5.877 50 0 IKAARN CC(C)Cn1c(SCc2ccccc2Cl)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033076962 557323724 /nfs/dbraw/zinc/32/37/24/557323724.db2.gz VZJSDUKEKCUBPK-UHFFFAOYSA-N 0 0 444.000 5.136 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000033085153 557324139 /nfs/dbraw/zinc/32/41/39/557324139.db2.gz WFFRRBNTLHLUFX-UHFFFAOYSA-N 0 0 438.959 5.270 50 0 IKAARN CCOc1ccc(CC(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1OCC ZINC000033084697 557324379 /nfs/dbraw/zinc/32/43/79/557324379.db2.gz GXXUTWZFHVBKKX-UHFFFAOYSA-N 0 0 435.568 5.368 50 0 IKAARN CCCOc1c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2sc1C(=O)OC ZINC000033123477 557324694 /nfs/dbraw/zinc/32/46/94/557324694.db2.gz BFJWTUVQLJRDRM-UHFFFAOYSA-N 0 0 433.913 5.148 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(-c2nccc(Oc3ccccc3OC)n2)cc1 ZINC000033130374 557325190 /nfs/dbraw/zinc/32/51/90/557325190.db2.gz KZBWIZWPSVCODH-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000033130325 557325301 /nfs/dbraw/zinc/32/53/01/557325301.db2.gz JAMKAGLKIKNUPS-UHFFFAOYSA-N 0 0 442.540 5.715 50 0 IKAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NCc3ccccc3C)cc2)cc1 ZINC000033139962 557325743 /nfs/dbraw/zinc/32/57/43/557325743.db2.gz LRFOQUTWYFPQEC-UHFFFAOYSA-N 0 0 441.556 5.967 50 0 IKAARN CCc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)cc1 ZINC000033114043 557326059 /nfs/dbraw/zinc/32/60/59/557326059.db2.gz IXWYXUSXDBIQQG-UHFFFAOYSA-N 0 0 449.580 5.073 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1 ZINC000033169326 557326309 /nfs/dbraw/zinc/32/63/09/557326309.db2.gz HCADIAWHIRAYEU-UHFFFAOYSA-N 0 0 427.460 5.829 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3Cl)sc2c1 ZINC000033169065 557326392 /nfs/dbraw/zinc/32/63/92/557326392.db2.gz YYLISPCKEFGCRA-UHFFFAOYSA-N 0 0 446.956 6.173 50 0 IKAARN Fc1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc(Br)cc1 ZINC000000833297 557326958 /nfs/dbraw/zinc/32/69/58/557326958.db2.gz MPSHOCKGSSXMFK-UHFFFAOYSA-N 0 0 438.098 5.628 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 ZINC000033271263 557328654 /nfs/dbraw/zinc/32/86/54/557328654.db2.gz UWMZCLQYRXBTAX-GOSISDBHSA-N 0 0 432.549 5.299 50 0 IKAARN CCOc1ccc(NC(=O)Nc2ccc(Sc3cc(CC)nc4nc(C)nn43)cc2)cc1 ZINC000033276015 557328911 /nfs/dbraw/zinc/32/89/11/557328911.db2.gz NZBAKGLGFXZTSL-UHFFFAOYSA-N 0 0 448.552 5.189 50 0 IKAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000033275329 557328915 /nfs/dbraw/zinc/32/89/15/557328915.db2.gz CKDZAHSIKADMMB-UHFFFAOYSA-N 0 0 441.535 5.792 50 0 IKAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccccc3C)nc(N3CCCC3)c12 ZINC000033279951 557331563 /nfs/dbraw/zinc/33/15/63/557331563.db2.gz WQRYGPHFJGKPDT-UHFFFAOYSA-N 0 0 425.536 5.198 50 0 IKAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3C)CC2)cc1 ZINC000033288312 557332041 /nfs/dbraw/zinc/33/20/41/557332041.db2.gz KUFRIHROXDXQED-UHFFFAOYSA-N 0 0 434.515 5.134 50 0 IKAARN CSc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 ZINC000014270948 557332619 /nfs/dbraw/zinc/33/26/19/557332619.db2.gz MWMOHKINXBEHTK-UHFFFAOYSA-N 0 0 429.545 5.706 50 0 IKAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccccc32)cc1 ZINC000033315089 557332953 /nfs/dbraw/zinc/33/29/53/557332953.db2.gz WBYCTVQPHVVBIH-UHFFFAOYSA-N 0 0 431.513 5.006 50 0 IKAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H](C)C2)ncn1 ZINC000106679984 557333884 /nfs/dbraw/zinc/33/38/84/557333884.db2.gz UQAVYPQPDXIGOU-HKUYNNGSSA-N 0 0 442.579 5.216 50 0 IKAARN CCCn1c(C)cc(-c2csc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n2)c1C ZINC000014345324 557334893 /nfs/dbraw/zinc/33/48/93/557334893.db2.gz XGBXRDCQSBFPBJ-GOSISDBHSA-N 0 0 436.581 5.168 50 0 IKAARN CC(=O)Oc1cccc(/C=C\c2ccc3cccc(OCc4ccccc4Cl)c3n2)c1 ZINC000033430465 557335192 /nfs/dbraw/zinc/33/51/92/557335192.db2.gz MEGVHZLDPICURF-OWBHPGMISA-N 0 0 429.903 6.563 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033455933 557335524 /nfs/dbraw/zinc/33/55/24/557335524.db2.gz UKWLJGLLICAWBG-XFFZJAGNSA-N 0 0 435.501 5.281 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1 ZINC000014358114 557335742 /nfs/dbraw/zinc/33/57/42/557335742.db2.gz CUHIOSOWUYTHKY-FFJSRYDGSA-N 0 0 445.603 6.020 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@H]2c1ccc(F)cc1 ZINC000102499982 557337216 /nfs/dbraw/zinc/33/72/16/557337216.db2.gz FBSKFGPMNLYLJW-SANMLTNESA-N 0 0 440.518 6.928 50 0 IKAARN CCCCOP(=O)(OCCCC)C(C)(O)P(=O)(OCCCC)OCCCC ZINC000004837211 557337784 /nfs/dbraw/zinc/33/77/84/557337784.db2.gz FYIBJOMOOTYWCI-UHFFFAOYSA-N 0 0 430.459 6.305 50 0 IKAARN CCOc1ccc(C(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1F ZINC000257173691 557338092 /nfs/dbraw/zinc/33/80/92/557338092.db2.gz VCHAGELRVRJKPE-UHFFFAOYSA-N 0 0 438.446 5.545 50 0 IKAARN Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 ZINC000257173667 557338129 /nfs/dbraw/zinc/33/81/29/557338129.db2.gz UQHPZZSZHPAHHM-UHFFFAOYSA-N 0 0 425.863 5.682 50 0 IKAARN Cc1ccc(-c2onc3c2CCCC3)cc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000023329976 557340020 /nfs/dbraw/zinc/34/00/20/557340020.db2.gz HJDCRVBDKAGHAB-ZRDIBKRKSA-N 0 0 426.438 6.200 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)cc2)CC1=O ZINC000102529521 557340518 /nfs/dbraw/zinc/34/05/18/557340518.db2.gz CBRCSRFNUOCBQP-UHFFFAOYSA-N 0 0 447.922 5.153 50 0 IKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccccc1Cl ZINC000023330282 557340808 /nfs/dbraw/zinc/34/08/08/557340808.db2.gz JELZSXBNEANSEC-UHFFFAOYSA-N 0 0 432.973 5.585 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 ZINC000014553119 557340897 /nfs/dbraw/zinc/34/08/97/557340897.db2.gz WZVWUEZFJIKUNO-UHFFFAOYSA-N 0 0 429.303 5.572 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cccc3C)C(=O)C2)cc1C ZINC000102529988 557341143 /nfs/dbraw/zinc/34/11/43/557341143.db2.gz CHPBQSDIKYFTGX-UHFFFAOYSA-N 0 0 425.532 5.416 50 0 IKAARN O=C(CCC1CCCCC1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023330300 557341189 /nfs/dbraw/zinc/34/11/89/557341189.db2.gz HHDCSKFNQVIUNU-UHFFFAOYSA-N 0 0 433.571 6.366 50 0 IKAARN CSc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c1 ZINC000102529887 557341280 /nfs/dbraw/zinc/34/12/80/557341280.db2.gz UUMPUZWCNMWEHV-UHFFFAOYSA-N 0 0 433.508 5.044 50 0 IKAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023330834 557342205 /nfs/dbraw/zinc/34/22/05/557342205.db2.gz ASPZHQBBVYEGSW-VWLOTQADSA-N 0 0 434.555 5.572 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)C2)cc1 ZINC000102530321 557342658 /nfs/dbraw/zinc/34/26/58/557342658.db2.gz YVBLTLFSHACQCK-UHFFFAOYSA-N 0 0 441.531 5.315 50 0 IKAARN CCOc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000102530593 557342831 /nfs/dbraw/zinc/34/28/31/557342831.db2.gz YNWMPRYHUDRBAS-UHFFFAOYSA-N 0 0 447.922 5.235 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000102530743 557342857 /nfs/dbraw/zinc/34/28/57/557342857.db2.gz QUHNLSAZQWEWOA-UHFFFAOYSA-N 0 0 431.923 5.399 50 0 IKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000102530741 557342870 /nfs/dbraw/zinc/34/28/70/557342870.db2.gz DCWSWAXINQZNOR-UHFFFAOYSA-N 0 0 431.923 5.399 50 0 IKAARN CC(C)(C)c1ccc([C@H]2C3C(=O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1 ZINC000102531065 557343068 /nfs/dbraw/zinc/34/30/68/557343068.db2.gz BPRNTYSLLNTUKX-VWLOTQADSA-N 0 0 429.541 5.916 50 0 IKAARN CCc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)cc2C)CC1=O ZINC000102531037 557343128 /nfs/dbraw/zinc/34/31/28/557343128.db2.gz NLEMFGSIEZIEQF-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000014586431 557343201 /nfs/dbraw/zinc/34/32/01/557343201.db2.gz UNWLFFVUBGTBCR-UHFFFAOYSA-N 0 0 436.558 5.074 50 0 IKAARN Cc1csc(N(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c2ccccc2)n1 ZINC000014586707 557343320 /nfs/dbraw/zinc/34/33/20/557343320.db2.gz BJKVTUNKUYLEDE-OUKQBFOZSA-N 0 0 431.561 5.068 50 0 IKAARN Cc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Br)cc3)CC2)c1 ZINC000023331781 557343883 /nfs/dbraw/zinc/34/38/83/557343883.db2.gz JQIOUNWHGHCQGR-XMMPIXPASA-N 0 0 449.392 5.305 50 0 IKAARN CCOc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023331883 557343941 /nfs/dbraw/zinc/34/39/41/557343941.db2.gz YGZOXHUGXADODI-VWLOTQADSA-N 0 0 449.982 5.678 50 0 IKAARN Cc1ccccc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023332295 557344467 /nfs/dbraw/zinc/34/44/67/557344467.db2.gz HHKLZXQCPYSRPL-XMMPIXPASA-N 0 0 449.392 5.305 50 0 IKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000023332388 557344606 /nfs/dbraw/zinc/34/46/06/557344606.db2.gz FSSXBKMMLFPUPQ-DEOSSOPVSA-N 0 0 439.386 5.849 50 0 IKAARN Cc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)N1CCc2ccccc2C1 ZINC000014608867 557344807 /nfs/dbraw/zinc/34/48/07/557344807.db2.gz GOABBZCLMMSESM-UHFFFAOYSA-N 0 0 442.588 5.043 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccc(N(C)C)cc3)s2)c(C)c1Cc1ccccc1 ZINC000014608874 557344835 /nfs/dbraw/zinc/34/48/35/557344835.db2.gz TVGIWACHRZYIHD-UHFFFAOYSA-N 0 0 445.592 5.163 50 0 IKAARN CCc1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)cc1 ZINC000014609257 557344915 /nfs/dbraw/zinc/34/49/15/557344915.db2.gz DWVZWNZLYQUXFH-UHFFFAOYSA-N 0 0 430.577 5.280 50 0 IKAARN COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000014610926 557345429 /nfs/dbraw/zinc/34/54/29/557345429.db2.gz VAFLGYUGYKKDMA-UHFFFAOYSA-N 0 0 430.508 5.145 50 0 IKAARN CC(C)CCN(CCC(C)C)C(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023332723 557346013 /nfs/dbraw/zinc/34/60/13/557346013.db2.gz JFZBCJMQCSFTPR-UHFFFAOYSA-N 0 0 439.550 6.352 50 0 IKAARN CCOC(=O)c1cc(C(CC)CC)n(-c2ccc(C(=O)N(C)CCc3ccccc3)cc2)n1 ZINC000023332940 557346398 /nfs/dbraw/zinc/34/63/98/557346398.db2.gz MMCJMIHFGYACRZ-UHFFFAOYSA-N 0 0 447.579 5.267 50 0 IKAARN CCOC(=O)CCCCCC(=O)N(C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023332988 557346634 /nfs/dbraw/zinc/34/66/34/557346634.db2.gz JEFGUJYWLRJYOQ-UHFFFAOYSA-N 0 0 446.547 5.584 50 0 IKAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000014637665 557346646 /nfs/dbraw/zinc/34/66/46/557346646.db2.gz ZIKMMBJZZBBYNP-UHFFFAOYSA-N 0 0 447.359 5.032 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)n2)o1 ZINC000023333014 557346665 /nfs/dbraw/zinc/34/66/65/557346665.db2.gz HEKAKLWULYBDQM-UHFFFAOYSA-N 0 0 433.556 5.149 50 0 IKAARN Cc1ccc(F)c(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000023333117 557346994 /nfs/dbraw/zinc/34/69/94/557346994.db2.gz VKRNJKROWGGTAW-UHFFFAOYSA-N 0 0 439.481 5.351 50 0 IKAARN CCCC[C@H](CC)CNC(=O)c1cncn1-c1ccc(-c2c(OC)cccc2OC)cc1 ZINC000023333073 557347043 /nfs/dbraw/zinc/34/70/43/557347043.db2.gz VNAZRECPTZUOKN-IBGZPJMESA-N 0 0 435.568 5.503 50 0 IKAARN COc1ccc(OC)c(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000023333155 557347071 /nfs/dbraw/zinc/34/70/71/557347071.db2.gz MYDBYLFAEWYDCX-UHFFFAOYSA-N 0 0 426.390 6.350 50 0 IKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1 ZINC000023333229 557347076 /nfs/dbraw/zinc/34/70/76/557347076.db2.gz VESXKSBGMBVWDL-XMMPIXPASA-N 0 0 439.481 5.351 50 0 IKAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000014677206 557347752 /nfs/dbraw/zinc/34/77/52/557347752.db2.gz PRGDYHJNOQWXBJ-UHFFFAOYSA-N 0 0 438.871 5.016 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023333958 557347923 /nfs/dbraw/zinc/34/79/23/557347923.db2.gz YZYBVLJXKIGGMO-QHCPKHFHSA-N 0 0 443.349 5.680 50 0 IKAARN O=C(Cc1ccccc1Br)Nc1cc(-c2onc3c2CCCC3)ccc1Cl ZINC000023333981 557347925 /nfs/dbraw/zinc/34/79/25/557347925.db2.gz GWYWODPYHFMFNA-UHFFFAOYSA-N 0 0 445.744 5.818 50 0 IKAARN CCCC(CCC)NC(=O)c1cncn1-c1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000023333864 557347955 /nfs/dbraw/zinc/34/79/55/557347955.db2.gz XINQYAIYBRFMNQ-UHFFFAOYSA-N 0 0 425.960 5.900 50 0 IKAARN Cc1ccc(F)c(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1F ZINC000023335628 557348331 /nfs/dbraw/zinc/34/83/31/557348331.db2.gz AFZMOXIFSIFNGU-DEOSSOPVSA-N 0 0 440.921 5.474 50 0 IKAARN FC(F)(F)c1ccnc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)n1 ZINC000023335879 557348531 /nfs/dbraw/zinc/34/85/31/557348531.db2.gz HYMCWWDPDZPAAI-UHFFFAOYSA-N 0 0 436.311 6.142 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000023335899 557348539 /nfs/dbraw/zinc/34/85/39/557348539.db2.gz YCJRDXXTOOFIQR-UHFFFAOYSA-N 0 0 445.563 5.075 50 0 IKAARN C[C@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc(Br)cc1 ZINC000023336386 557348814 /nfs/dbraw/zinc/34/88/14/557348814.db2.gz OHYROUGCGMKVRF-ZDUSSCGKSA-N 0 0 444.350 5.440 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N[C@H](C)CC(C)C)cc2)n1 ZINC000023336622 557349120 /nfs/dbraw/zinc/34/91/20/557349120.db2.gz DZYKCYUTYYCHOS-LJQANCHMSA-N 0 0 433.552 5.189 50 0 IKAARN CCCSc1ncccc1C(=O)Nc1cc(-c2onc3c2CCCC3)ccc1Cl ZINC000023336558 557349130 /nfs/dbraw/zinc/34/91/30/557349130.db2.gz NKASQOMIBOPCDZ-UHFFFAOYSA-N 0 0 427.957 6.023 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N[C@H](C)C(C)C)cc2)n1 ZINC000023336807 557349212 /nfs/dbraw/zinc/34/92/12/557349212.db2.gz KVDUYBZCYPQWPQ-GOSISDBHSA-N 0 0 433.552 5.053 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(Cl)ccc1Cl)n2CCOC ZINC000023334408 557349399 /nfs/dbraw/zinc/34/93/99/557349399.db2.gz CGMKMGVMRPQHND-UHFFFAOYSA-N 0 0 439.364 5.459 50 0 IKAARN Cc1noc(-c2ccccc2Cl)c1C(=O)N1CCC(Cc2ccc3c(c2)OCO3)CC1 ZINC000023334520 557349437 /nfs/dbraw/zinc/34/94/37/557349437.db2.gz NNNVZWVKZAITIF-UHFFFAOYSA-N 0 0 438.911 5.127 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023334601 557349498 /nfs/dbraw/zinc/34/94/98/557349498.db2.gz LRPYPEQAUBZXDR-QHCPKHFHSA-N 0 0 443.349 5.680 50 0 IKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102522062 557352927 /nfs/dbraw/zinc/35/29/27/557352927.db2.gz USAUPWUYKBQSBO-XMMPIXPASA-N 0 0 431.532 6.486 50 0 IKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102522067 557352981 /nfs/dbraw/zinc/35/29/81/557352981.db2.gz USAUPWUYKBQSBO-DEOSSOPVSA-N 0 0 431.532 6.486 50 0 IKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(C)c(C)c(C)c(C)c1C)n2CCOC ZINC000023424261 557353098 /nfs/dbraw/zinc/35/30/98/557353098.db2.gz GAJVGFOJQVHFEE-UHFFFAOYSA-N 0 0 440.609 5.694 50 0 IKAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023426365 557353401 /nfs/dbraw/zinc/35/34/01/557353401.db2.gz PUUDKYLCICPYBM-YLJYHZDGSA-N 0 0 449.599 5.374 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)NC(CC)CC)cc2)n1 ZINC000023426716 557353732 /nfs/dbraw/zinc/35/37/32/557353732.db2.gz QDOLZLYJFWLPFI-UHFFFAOYSA-N 0 0 439.943 5.288 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC3CCCC3)c2)n(-c2ccccc2C)n1 ZINC000023427485 557353946 /nfs/dbraw/zinc/35/39/46/557353946.db2.gz SXZIGDPIQRDWAK-UHFFFAOYSA-N 0 0 431.536 5.543 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc3cc(C)c(C)cc3nc2-c2ccccc2)CC1 ZINC000023428134 557353953 /nfs/dbraw/zinc/35/39/53/557353953.db2.gz SHLTYJQKTGSKEB-QFIPXVFZSA-N 0 0 444.623 5.779 50 0 IKAARN COc1ccc(CNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c(OC)c1 ZINC000023427360 557353974 /nfs/dbraw/zinc/35/39/74/557353974.db2.gz GYKYCRPSSCOKNZ-UHFFFAOYSA-N 0 0 429.847 5.521 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](C)CC)c(-c2ccc(OC)cc2)cn1Cc1ccccc1 ZINC000023428111 557353997 /nfs/dbraw/zinc/35/39/97/557353997.db2.gz NUONEZYSYBUAMA-GOSISDBHSA-N 0 0 434.536 5.373 50 0 IKAARN CC(C)c1ccc(-n2c(CCC(=O)NC[C@@H]3CCCO3)cc3c2-c2ccccc2OC3)cc1 ZINC000023435486 557354231 /nfs/dbraw/zinc/35/42/31/557354231.db2.gz APHLZZLGOLEBSM-DEOSSOPVSA-N 0 0 444.575 5.388 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCCC[C@@H]3CC)cc2)n1 ZINC000023437865 557354540 /nfs/dbraw/zinc/35/45/40/557354540.db2.gz GNPOADSUYONKSV-NRFANRHFSA-N 0 0 445.563 5.429 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCCC[C@H]3CC)cc2)n1 ZINC000023437868 557354602 /nfs/dbraw/zinc/35/46/02/557354602.db2.gz GNPOADSUYONKSV-OAQYLSRUSA-N 0 0 445.563 5.429 50 0 IKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Cl)c2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023428969 557354837 /nfs/dbraw/zinc/35/48/37/557354837.db2.gz LMKWNVSDCNMJHE-UHFFFAOYSA-N 0 0 440.733 6.521 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)NC3CCCC3)cc2)n1 ZINC000023428401 557354864 /nfs/dbraw/zinc/35/48/64/557354864.db2.gz APIURXDUFSSIOY-UHFFFAOYSA-N 0 0 431.536 5.005 50 0 IKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000023429265 557354913 /nfs/dbraw/zinc/35/49/13/557354913.db2.gz TYERCNCZWALULG-UHFFFAOYSA-N 0 0 434.344 6.075 50 0 IKAARN O=C(NCCCCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023430418 557355223 /nfs/dbraw/zinc/35/52/23/557355223.db2.gz IZSNXYHOMVLILW-UHFFFAOYSA-N 0 0 429.951 6.150 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023431074 557355445 /nfs/dbraw/zinc/35/54/45/557355445.db2.gz GNVQNFAOHPUTLT-QFBILLFUSA-N 0 0 449.599 5.473 50 0 IKAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)N[C@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 ZINC000023431079 557355483 /nfs/dbraw/zinc/35/54/83/557355483.db2.gz GNVQNFAOHPUTLT-APWZRJJASA-N 0 0 449.599 5.473 50 0 IKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000023434928 557355949 /nfs/dbraw/zinc/35/59/49/557355949.db2.gz IFLGIVXUKRBHEJ-HSZRJFAPSA-N 0 0 436.483 5.031 50 0 IKAARN CCOc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000023434130 557356096 /nfs/dbraw/zinc/35/60/96/557356096.db2.gz FMHTUMXAKXJUDG-RUZDIDTESA-N 0 0 432.520 5.282 50 0 IKAARN CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cc(C(F)(F)F)ccc2F)cc1 ZINC000023448568 557356229 /nfs/dbraw/zinc/35/62/29/557356229.db2.gz ASUJOVAXUSKDKB-OAHLLOKOSA-N 0 0 440.440 6.724 50 0 IKAARN CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000023449498 557356256 /nfs/dbraw/zinc/35/62/56/557356256.db2.gz HPOMLEBPPYOMNQ-UHFFFAOYSA-N 0 0 425.532 5.854 50 0 IKAARN CCCCCn1cc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)c2ccccc21 ZINC000023448868 557356358 /nfs/dbraw/zinc/35/63/58/557356358.db2.gz HCQKKQRWKJWWBA-UHFFFAOYSA-N 0 0 430.617 7.066 50 0 IKAARN O=C([C@@H]1C[C@@H]1c1ccccc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023450133 557356531 /nfs/dbraw/zinc/35/65/31/557356531.db2.gz AGIVJZASPUKROR-NHCUHLMSSA-N 0 0 434.898 5.953 50 0 IKAARN O=C([C@H]1C[C@@H]1c1ccccc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023450136 557356596 /nfs/dbraw/zinc/35/65/96/557356596.db2.gz AGIVJZASPUKROR-RTWAWAEBSA-N 0 0 434.898 5.953 50 0 IKAARN Fc1ccc(Cc2nc(CSc3nc4ccc(Cl)cc4o3)cs2)c(Cl)c1 ZINC000023450082 557356644 /nfs/dbraw/zinc/35/66/44/557356644.db2.gz IZSUKRCEWMWCKS-UHFFFAOYSA-N 0 0 425.337 6.613 50 0 IKAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)c4ccc(F)c(F)c4F)cc3)n2)cc1 ZINC000023450629 557356765 /nfs/dbraw/zinc/35/67/65/557356765.db2.gz ZLUATXJDFJCFPO-UHFFFAOYSA-N 0 0 437.421 5.100 50 0 IKAARN CC[C@@H](C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccc(OC)cc1)c1ccccc1 ZINC000023450986 557356785 /nfs/dbraw/zinc/35/67/85/557356785.db2.gz BQDCHTLQMHRNQG-HSZRJFAPSA-N 0 0 428.532 5.867 50 0 IKAARN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023450881 557356803 /nfs/dbraw/zinc/35/68/03/557356803.db2.gz ABSMNJTXBOEJQZ-UHFFFAOYSA-N 0 0 435.449 6.001 50 0 IKAARN O=C(CCCc1ccccc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023450947 557356831 /nfs/dbraw/zinc/35/68/31/557356831.db2.gz IBAAIHMKFUXZSW-UHFFFAOYSA-N 0 0 441.550 6.029 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023450528 557356854 /nfs/dbraw/zinc/35/68/54/557356854.db2.gz ONPVCDNQOWZTCX-UHFFFAOYSA-N 0 0 443.978 5.687 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)c1 ZINC000023450406 557356866 /nfs/dbraw/zinc/35/68/66/557356866.db2.gz HIRPIDUSANLTFE-UHFFFAOYSA-N 0 0 435.449 6.001 50 0 IKAARN Cc1cc(C(=O)N2CCC(n3c4ccccc4nc3Cc3ccccc3)CC2)ccc1F ZINC000023450835 557356921 /nfs/dbraw/zinc/35/69/21/557356921.db2.gz HRQABTUEOADMCQ-UHFFFAOYSA-N 0 0 427.523 5.552 50 0 IKAARN Cc1ccc([C@@H](C)C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023450998 557356926 /nfs/dbraw/zinc/35/69/26/557356926.db2.gz RWJIHNBDPVHZJY-JOCHJYFZSA-N 0 0 437.587 5.903 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1cccs1)CC2 ZINC000023450462 557356930 /nfs/dbraw/zinc/35/69/30/557356930.db2.gz TXVBQNZJALBOSI-NRFANRHFSA-N 0 0 431.916 5.346 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1F)CC2 ZINC000023438819 557357426 /nfs/dbraw/zinc/35/74/26/557357426.db2.gz LPKBTVDSVOWOIO-QHCPKHFHSA-N 0 0 425.887 5.284 50 0 IKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000023439225 557357469 /nfs/dbraw/zinc/35/74/69/557357469.db2.gz ACLQAMHSMFQCFT-SANMLTNESA-N 0 0 431.532 5.063 50 0 biogenic IKAARN COc1ccc2nc(-c3cc(C(F)(F)F)ccc3F)n(Cc3ccccc3)c(=O)c2c1 ZINC000023440534 557357707 /nfs/dbraw/zinc/35/77/07/557357707.db2.gz LCWIMQXEILGWPS-UHFFFAOYSA-N 0 0 428.385 5.278 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N[C@H](C)c1cccc(OC)c1 ZINC000023439290 557357738 /nfs/dbraw/zinc/35/77/38/557357738.db2.gz VUWKSEDSTQEELD-CQSZACIVSA-N 0 0 445.441 5.521 50 0 IKAARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1 ZINC000102602383 557357767 /nfs/dbraw/zinc/35/77/67/557357767.db2.gz YRJQLCBYFLJOIC-QUGAMOGWSA-N 0 0 428.488 5.761 50 0 IKAARN O=C(N1CCc2ccccc2[C@H]1c1ccccc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000023440968 557357907 /nfs/dbraw/zinc/35/79/07/557357907.db2.gz SIWWUVKAXSBMOS-VWLOTQADSA-N 0 0 433.954 6.465 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCCCN(C)c4ccccc4)cc3)n[nH]2)c1 ZINC000023441087 557357916 /nfs/dbraw/zinc/35/79/16/557357916.db2.gz RTBNZUWLHYSXOZ-UHFFFAOYSA-N 0 0 440.547 5.009 50 0 biogenic IKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000023441017 557358003 /nfs/dbraw/zinc/35/80/03/557358003.db2.gz SCSIGFJUSPWZEZ-VWLOTQADSA-N 0 0 435.951 5.708 50 0 IKAARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000102602886 557358240 /nfs/dbraw/zinc/35/82/40/557358240.db2.gz SYBSIRDXDUIKFS-XDHUDOTRSA-N 0 0 426.907 6.150 50 0 IKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCCc4cccc(Cl)c4)cc3)n[nH]2)c1 ZINC000023442032 557358273 /nfs/dbraw/zinc/35/82/73/557358273.db2.gz KMBGWJVXEBLKRZ-UHFFFAOYSA-N 0 0 431.923 5.378 50 0 biogenic IKAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000023442184 557358309 /nfs/dbraw/zinc/35/83/09/557358309.db2.gz MIUWNEVECXRMHX-DEOSSOPVSA-N 0 0 437.923 5.154 50 0 IKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023442900 557358352 /nfs/dbraw/zinc/35/83/52/557358352.db2.gz BOMCINWCHMEANN-LEWJYISDSA-N 0 0 447.600 6.330 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000023442291 557358371 /nfs/dbraw/zinc/35/83/71/557358371.db2.gz BVBDVHGLNAIZNC-QHCPKHFHSA-N 0 0 442.342 5.799 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)o1 ZINC000023444598 557358548 /nfs/dbraw/zinc/35/85/48/557358548.db2.gz UQCDKHICZAEJAC-UHFFFAOYSA-N 0 0 425.410 5.594 50 0 IKAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2Cl)cc1 ZINC000023444313 557358573 /nfs/dbraw/zinc/35/85/73/557358573.db2.gz DBDVAQGSRQUFGA-DEOSSOPVSA-N 0 0 437.923 5.154 50 0 IKAARN CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000023446278 557358816 /nfs/dbraw/zinc/35/88/16/557358816.db2.gz UREOBAKQGQKKJN-UHFFFAOYSA-N 0 0 427.504 5.081 50 0 biogenic IKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1C(F)(F)F ZINC000023446895 557359097 /nfs/dbraw/zinc/35/90/97/557359097.db2.gz VKDREBMJTMUNHQ-CQSZACIVSA-N 0 0 447.478 6.348 50 0 IKAARN COc1ccccc1CCNC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000023446987 557359185 /nfs/dbraw/zinc/35/91/85/557359185.db2.gz KAHRYOQCSLHVDY-UHFFFAOYSA-N 0 0 425.532 5.137 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)ncn1 ZINC000064568558 557359278 /nfs/dbraw/zinc/35/92/78/557359278.db2.gz CTFJDZUDMQQJCO-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1cc(F)ccc1F)CC2 ZINC000023447831 557359535 /nfs/dbraw/zinc/35/95/35/557359535.db2.gz JHUOARLZGRUMII-QHCPKHFHSA-N 0 0 443.877 5.423 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc(F)c(Cl)c1 ZINC000023459766 557360098 /nfs/dbraw/zinc/36/00/98/557360098.db2.gz FRKPJUPWRGSABR-UHFFFAOYSA-N 0 0 426.278 6.238 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1ccc(F)cc1 ZINC000023459825 557360117 /nfs/dbraw/zinc/36/01/17/557360117.db2.gz PHMHVCBKJURMAR-UHFFFAOYSA-N 0 0 430.523 6.645 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1-c1ccc(C)cc1 ZINC000023460432 557360334 /nfs/dbraw/zinc/36/03/34/557360334.db2.gz XZWBDKIPKZYOMM-UHFFFAOYSA-N 0 0 430.523 6.645 50 0 IKAARN COc1ccc(-c2ccc3nc(-c4ccc(OC(C)(C)C)cc4)oc3c2)c(OC)c1OC ZINC000023460523 557360572 /nfs/dbraw/zinc/36/05/72/557360572.db2.gz XXULLRMNEJLCQD-UHFFFAOYSA-N 0 0 433.504 6.365 50 0 IKAARN Fc1ccc(Cc2nc(CSc3nc(-c4ccccc4)cs3)cs2)c(Cl)c1 ZINC000023460584 557360654 /nfs/dbraw/zinc/36/06/54/557360654.db2.gz PUHNPGFGKKDXDL-UHFFFAOYSA-N 0 0 432.998 6.942 50 0 IKAARN O=C(Cc1c(F)cccc1F)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023460756 557360704 /nfs/dbraw/zinc/36/07/04/557360704.db2.gz SPPDVFPYQLZQQX-UHFFFAOYSA-N 0 0 449.476 5.527 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1-c1ccc(F)cc1 ZINC000023461801 557360877 /nfs/dbraw/zinc/36/08/77/557360877.db2.gz POJQLUIPLCSOJN-UHFFFAOYSA-N 0 0 434.486 6.475 50 0 IKAARN COc1ccc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023461760 557360978 /nfs/dbraw/zinc/36/09/78/557360978.db2.gz SQSYJWJEWJIEAV-UHFFFAOYSA-N 0 0 435.886 5.901 50 0 IKAARN O=c1c2ccccc2nc(-c2cccc(OCc3ccccc3)c2)n1Cc1ccc(F)cc1 ZINC000023461990 557361153 /nfs/dbraw/zinc/36/11/53/557361153.db2.gz MYTCDDNBEGRJPV-UHFFFAOYSA-N 0 0 436.486 5.830 50 0 IKAARN Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000023461861 557361255 /nfs/dbraw/zinc/36/12/55/557361255.db2.gz LZBBRBXADLPTEQ-UHFFFAOYSA-N 0 0 440.474 5.887 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000102650314 557361244 /nfs/dbraw/zinc/36/12/44/557361244.db2.gz MFXZUKHOGRUQDA-XMMPIXPASA-N 0 0 432.520 5.676 50 0 IKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3cc(F)cc(F)c3)nc2c1 ZINC000023454241 557361813 /nfs/dbraw/zinc/36/18/13/557361813.db2.gz UGUYKMRPBXBOMD-UHFFFAOYSA-N 0 0 426.850 5.910 50 0 IKAARN O=C(c1ccc(F)cc1)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023453601 557361839 /nfs/dbraw/zinc/36/18/39/557361839.db2.gz PNAZCHUDWRDDSN-UHFFFAOYSA-N 0 0 425.507 5.834 50 0 IKAARN COc1cccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1OC ZINC000102658456 557361913 /nfs/dbraw/zinc/36/19/13/557361913.db2.gz BKAUOSXIBMXVIS-NRFANRHFSA-N 0 0 448.548 5.259 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1cccc(Cl)c1 ZINC000102664228 557362232 /nfs/dbraw/zinc/36/22/32/557362232.db2.gz CIGNDKGUGDYVTN-HXUWFJFHSA-N 0 0 436.968 6.546 50 0 IKAARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC ZINC000102665106 557362259 /nfs/dbraw/zinc/36/22/59/557362259.db2.gz JMBQVHKBHUJOLX-IVZQSRNASA-N 0 0 436.899 5.014 50 0 IKAARN CCOc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3F)C2)cc1Cl ZINC000102664455 557362315 /nfs/dbraw/zinc/36/23/15/557362315.db2.gz JAPMOOOYQDBUHU-QGZVFWFLSA-N 0 0 449.711 5.288 50 0 IKAARN Cc1ccc(Cl)c(C(=O)N2CCC(n3c4ccccc4nc3Cc3ccccc3)CC2)c1 ZINC000023455815 557362339 /nfs/dbraw/zinc/36/23/39/557362339.db2.gz YADAQGKJUAXVNY-UHFFFAOYSA-N 0 0 443.978 6.066 50 0 IKAARN O=C(c1cccc2ccccc21)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023455481 557362345 /nfs/dbraw/zinc/36/23/45/557362345.db2.gz LBMNHKMTSNDJBA-MHZLTWQESA-N 0 0 440.974 6.041 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023455978 557362394 /nfs/dbraw/zinc/36/23/94/557362394.db2.gz QOHQQPHJPVZFDG-XMMPIXPASA-N 0 0 429.470 5.625 50 0 IKAARN O=C(c1cccc(Cl)c1)N(Cc1nc2cc(Cl)ccc2o1)Cc1cccc(Cl)c1 ZINC000023456366 557362717 /nfs/dbraw/zinc/36/27/17/557362717.db2.gz ZPUMKHJYHLJSGZ-UHFFFAOYSA-N 0 0 445.733 6.631 50 0 IKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3cccc(F)c3F)nc2c1 ZINC000023457496 557362852 /nfs/dbraw/zinc/36/28/52/557362852.db2.gz LYMDSWDMSHXCTA-UHFFFAOYSA-N 0 0 428.385 5.535 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023457148 557362890 /nfs/dbraw/zinc/36/28/90/557362890.db2.gz BYVIEXFLIUSTAK-UHFFFAOYSA-N 0 0 447.941 5.902 50 0 IKAARN Cc1cc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)ccc1F ZINC000023457447 557362961 /nfs/dbraw/zinc/36/29/61/557362961.db2.gz DCLLOPROYBWPRI-UHFFFAOYSA-N 0 0 431.486 5.767 50 0 IKAARN CC[C@H](C(=O)Nc1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1)c1ccccc1 ZINC000023457160 557363011 /nfs/dbraw/zinc/36/30/11/557363011.db2.gz GAZICTJHQJMYHX-DEOSSOPVSA-N 0 0 425.532 5.989 50 0 IKAARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102675035 557363147 /nfs/dbraw/zinc/36/31/47/557363147.db2.gz PYFVFXDWBJAACS-QRQCRPRQSA-N 0 0 436.899 5.101 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)cc1 ZINC000023485583 557363967 /nfs/dbraw/zinc/36/39/67/557363967.db2.gz SSNPRHSZLKKUAJ-UHFFFAOYSA-N 0 0 449.598 6.343 50 0 IKAARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 ZINC000102701916 557365767 /nfs/dbraw/zinc/36/57/67/557365767.db2.gz GTLUFRZIGQDXTO-RUZDIDTESA-N 0 0 446.547 5.906 50 0 IKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1c(F)cccc1F ZINC000023582635 557367119 /nfs/dbraw/zinc/36/71/19/557367119.db2.gz FJULBIFTTSVAES-UHFFFAOYSA-N 0 0 429.414 5.474 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3Cl)C2)cc1OC ZINC000102677895 557368069 /nfs/dbraw/zinc/36/80/69/557368069.db2.gz BLNRWUQIUHBDEJ-PEBXRYMYSA-N 0 0 436.899 5.014 50 0 IKAARN Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000011689942 557368165 /nfs/dbraw/zinc/36/81/65/557368165.db2.gz SXIAYBZIVFKFAZ-UHFFFAOYSA-N 0 0 429.867 5.290 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@@H]2c2ccco2)cc1 ZINC000102678936 557368266 /nfs/dbraw/zinc/36/82/66/557368266.db2.gz IUSQNTVMGODUCY-LMKMVOKYSA-N 0 0 428.488 6.004 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2ccco2)cc1 ZINC000102678942 557368282 /nfs/dbraw/zinc/36/82/82/557368282.db2.gz IUSQNTVMGODUCY-PUAOIOHZSA-N 0 0 428.488 6.004 50 0 IKAARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@H]2c2ccco2)cc1 ZINC000102678940 557368315 /nfs/dbraw/zinc/36/83/15/557368315.db2.gz IUSQNTVMGODUCY-IVCQMTBJSA-N 0 0 428.488 6.004 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000102681263 557368588 /nfs/dbraw/zinc/36/85/88/557368588.db2.gz SMNNPRYAEDCRGM-HLZOOKHESA-N 0 0 447.531 5.964 50 0 IKAARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 ZINC000102681939 557368603 /nfs/dbraw/zinc/36/86/03/557368603.db2.gz INWHOOFGASWYAH-RUZDIDTESA-N 0 0 426.516 6.694 50 0 IKAARN CC1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4cccc(Cl)c4)cc32)CC1 ZINC000102683774 557368610 /nfs/dbraw/zinc/36/86/10/557368610.db2.gz NNEHMOCCMJMSHF-UHFFFAOYSA-N 0 0 445.950 6.508 50 0 IKAARN Cc1ccc(-c2ccc(CCC(=O)N3CCN(c4nsc5ccccc54)CC3)o2)cc1 ZINC000011690011 557368602 /nfs/dbraw/zinc/36/86/02/557368602.db2.gz FBPDDNTWFWKSDW-UHFFFAOYSA-N 0 0 431.561 5.146 50 0 IKAARN CSc1ccc([C@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000524729699 557368875 /nfs/dbraw/zinc/36/88/75/557368875.db2.gz FIRDFFHOSKEHBX-QHCPKHFHSA-N 0 0 445.588 5.219 50 0 biogenic IKAARN O=C(Nc1ncc(Cc2cccc3ccccc32)s1)c1cc(Br)cs1 ZINC000011690087 557368890 /nfs/dbraw/zinc/36/88/90/557368890.db2.gz PMBHYNJETGALTE-UHFFFAOYSA-N 0 0 429.364 5.963 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102723264 557369167 /nfs/dbraw/zinc/36/91/67/557369167.db2.gz VFLVERBIEIQBPN-PCCBWWKXSA-N 0 0 439.298 5.045 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc(OC(F)(F)F)cc4)CC3=O)n2)cc1 ZINC000102722775 557369271 /nfs/dbraw/zinc/36/92/71/557369271.db2.gz DBDGMTJTCURZGJ-UHFFFAOYSA-N 0 0 447.438 5.484 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc(Cl)c2)o1 ZINC000102725159 557369629 /nfs/dbraw/zinc/36/96/29/557369629.db2.gz VQTOZUFFNGWSIU-RXVVDRJESA-N 0 0 443.728 6.246 50 0 IKAARN O=C(OCc1coc(-c2cccs2)n1)c1cc(Br)c(Br)s1 ZINC000023645092 557370159 /nfs/dbraw/zinc/37/01/59/557370159.db2.gz JLHDKHXMJFUWAL-UHFFFAOYSA-N 0 0 449.145 5.347 50 0 IKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)cc2)cc1OC ZINC000102728018 557370490 /nfs/dbraw/zinc/37/04/90/557370490.db2.gz CKOWHYRAUUEWKP-WAIKUNEKSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCCCC2)c2ccccc2O)cc1 ZINC000524734715 557370748 /nfs/dbraw/zinc/37/07/48/557370748.db2.gz GUWAIGJYHBVHAE-AREMUKBSSA-N 0 0 443.587 5.941 50 0 IKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccccc1F)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524734494 557370880 /nfs/dbraw/zinc/37/08/80/557370880.db2.gz KLSLLLGZJASLSM-QHCPKHFHSA-N 0 0 431.511 5.027 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2Cl)o1 ZINC000102728984 557370873 /nfs/dbraw/zinc/37/08/73/557370873.db2.gz UQMMHWCVYFSYTN-NQIIRXRSSA-N 0 0 443.728 6.246 50 0 IKAARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000102730279 557371140 /nfs/dbraw/zinc/37/11/40/557371140.db2.gz PDBSHOLBDQLWPN-QMHKHESXSA-N 0 0 446.503 5.617 50 0 IKAARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000102730284 557371193 /nfs/dbraw/zinc/37/11/93/557371193.db2.gz PDBSHOLBDQLWPN-WAIKUNEKSA-N 0 0 446.503 5.617 50 0 IKAARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1 ZINC000524735289 557371206 /nfs/dbraw/zinc/37/12/06/557371206.db2.gz OHSSLCHHZJYGQR-XZOQPEGZSA-N 0 0 432.955 5.371 50 0 IKAARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000102730286 557371230 /nfs/dbraw/zinc/37/12/30/557371230.db2.gz PDBSHOLBDQLWPN-HJPURHCSSA-N 0 0 446.503 5.617 50 0 IKAARN Cc1cccc(C)c1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102730256 557371243 /nfs/dbraw/zinc/37/12/43/557371243.db2.gz DNRSHPPENRRNNQ-YMPZKCBVSA-N 0 0 432.907 5.008 50 0 IKAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1OC ZINC000102731726 557371430 /nfs/dbraw/zinc/37/14/30/557371430.db2.gz CYLUTXFFSVLOFB-WAIKUNEKSA-N 0 0 432.476 5.314 50 0 IKAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1OC ZINC000102731731 557371474 /nfs/dbraw/zinc/37/14/74/557371474.db2.gz CYLUTXFFSVLOFB-MWTRTKDXSA-N 0 0 432.476 5.314 50 0 IKAARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000102731198 557371486 /nfs/dbraw/zinc/37/14/86/557371486.db2.gz PFSVTUWTNIYLCO-JTSKRJEESA-N 0 0 430.460 5.083 50 0 IKAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1OC ZINC000102731723 557371536 /nfs/dbraw/zinc/37/15/36/557371536.db2.gz CYLUTXFFSVLOFB-QMHKHESXSA-N 0 0 432.476 5.314 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000102732082 557371693 /nfs/dbraw/zinc/37/16/93/557371693.db2.gz OTEQERDLHBOLTD-UHFFFAOYSA-N 0 0 430.577 5.037 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc(C(C)C)cc4)CC3=O)n2)cc1OC ZINC000102732559 557371778 /nfs/dbraw/zinc/37/17/78/557371778.db2.gz WSICUKJKZULVOS-UHFFFAOYSA-N 0 0 435.549 5.717 50 0 IKAARN CCCc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000023722143 557372679 /nfs/dbraw/zinc/37/26/79/557372679.db2.gz HCXVWXDABYLEQM-IBGZPJMESA-N 0 0 439.408 5.436 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4Br)CC3=O)n2)cc1 ZINC000102735334 557372908 /nfs/dbraw/zinc/37/29/08/557372908.db2.gz MNIDLDIOFISZRO-UHFFFAOYSA-N 0 0 442.338 5.348 50 0 IKAARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000102714422 557374375 /nfs/dbraw/zinc/37/43/75/557374375.db2.gz OJHNSWWTXFWCDI-VWLOTQADSA-N 0 0 446.547 5.906 50 0 IKAARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O ZINC000102716933 557374804 /nfs/dbraw/zinc/37/48/04/557374804.db2.gz UJBZXYAFASJMCL-IVZQSRNASA-N 0 0 432.476 5.314 50 0 IKAARN CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 ZINC000102747517 557378455 /nfs/dbraw/zinc/37/84/55/557378455.db2.gz LCHKXPXWDLBGEY-LPPUWEFUSA-N 0 0 445.902 5.261 50 0 IKAARN COCCCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1Cl ZINC000023905353 557379034 /nfs/dbraw/zinc/37/90/34/557379034.db2.gz BINPFNOIAHKKLZ-CYBMUJFWSA-N 0 0 435.981 5.169 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000102750016 557379113 /nfs/dbraw/zinc/37/91/13/557379113.db2.gz QMPCFFAWGGZZJL-DSNGMDLFSA-N 0 0 440.543 5.344 50 0 IKAARN CCOc1ccccc1C1=N/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C(=O)O1 ZINC000023907978 557379391 /nfs/dbraw/zinc/37/93/91/557379391.db2.gz SOQKHABFZKZASS-RCCKNPSSSA-N 0 0 429.472 5.017 50 0 IKAARN CCCCCCNC(=O)c1cccc(CSc2ccc(-c3ccc(Cl)cc3)nn2)c1 ZINC000033941159 557381211 /nfs/dbraw/zinc/38/12/11/557381211.db2.gz CYAFVQQDFNOLMV-UHFFFAOYSA-N 0 0 440.012 6.399 50 0 IKAARN Cc1c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668083 557383865 /nfs/dbraw/zinc/38/38/65/557383865.db2.gz SJOXMTXXZNPGTE-INIZCTEOSA-N 0 0 449.601 5.264 50 0 IKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCc4cccc(Cl)c4)c(=O)oc3c2C)c1C ZINC000011691865 557385044 /nfs/dbraw/zinc/38/50/44/557385044.db2.gz NAXYUHMXRFEWEI-UHFFFAOYSA-N 0 0 437.923 5.675 50 0 IKAARN CCCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1 ZINC000011691923 557385348 /nfs/dbraw/zinc/38/53/48/557385348.db2.gz HRWAVFHFUZITNQ-UHFFFAOYSA-N 0 0 425.322 7.010 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5ccc6ccccc6c5)c4cc23)cc1 ZINC000011691933 557385420 /nfs/dbraw/zinc/38/54/20/557385420.db2.gz XRFCKWDAJDOGQO-UHFFFAOYSA-N 0 0 432.475 7.343 50 0 IKAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccc2c(c1)OCO2 ZINC000011692364 557388406 /nfs/dbraw/zinc/38/84/06/557388406.db2.gz RZSSXYGQDNLHOF-UHFFFAOYSA-N 0 0 434.831 5.104 50 0 IKAARN COc1ccc([C@H]2CC(c3cccc(Br)c3)=Nc3nc4ccccc4n32)cc1 ZINC000102795068 557388685 /nfs/dbraw/zinc/38/86/85/557388685.db2.gz CWCUAPNVBWOLDC-JOCHJYFZSA-N 0 0 432.321 5.863 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000102794956 557388750 /nfs/dbraw/zinc/38/87/50/557388750.db2.gz AMXDNQZXRRXBDM-OAQYLSRUSA-N 0 0 432.321 5.863 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000011692469 557388815 /nfs/dbraw/zinc/38/88/15/557388815.db2.gz INDLABONRCQYKS-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN Clc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000102798677 557389429 /nfs/dbraw/zinc/38/94/29/557389429.db2.gz ZCRRYKUWKFQDHW-OAQYLSRUSA-N 0 0 436.740 6.508 50 0 IKAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102799811 557390154 /nfs/dbraw/zinc/39/01/54/557390154.db2.gz ZXISHGBBVPNQRB-INIZCTEOSA-N 0 0 433.256 5.006 50 0 IKAARN COc1ccc2nc(-c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)cn2n1 ZINC000011693400 557390814 /nfs/dbraw/zinc/39/08/14/557390814.db2.gz HJYCYXFQEYTSIV-UHFFFAOYSA-N 0 0 448.526 5.566 50 0 IKAARN COc1ccc2nc(-c3cccc(NC(=O)C4c5ccccc5Oc5ccccc54)c3)cn2n1 ZINC000011693414 557390901 /nfs/dbraw/zinc/39/09/01/557390901.db2.gz LERLJMBJNQKLNY-UHFFFAOYSA-N 0 0 448.482 5.281 50 0 IKAARN CC[C@@H](C(=O)N1CCCN(C2=Nc3ccccc3Oc3ccccc32)CC1)c1ccccc1 ZINC000102812936 557393174 /nfs/dbraw/zinc/39/31/74/557393174.db2.gz DFOCDBKRVBIAGO-JOCHJYFZSA-N 0 0 439.559 5.599 50 0 IKAARN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccccc1)CC(=O)O3 ZINC000072404464 557396076 /nfs/dbraw/zinc/39/60/76/557396076.db2.gz OUITXBPQJQRTKX-FKBUOAMDSA-N 0 0 448.515 5.315 50 0 IKAARN CCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000102873813 557396212 /nfs/dbraw/zinc/39/62/12/557396212.db2.gz UVHLZDGLNSPZSM-AREMUKBSSA-N 0 0 432.564 6.678 50 0 IKAARN CCOc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nc(-c3ccccc3)nn21 ZINC000102875532 557396800 /nfs/dbraw/zinc/39/68/00/557396800.db2.gz QLDHWJYEIRVHRF-JOCHJYFZSA-N 0 0 428.923 6.053 50 0 IKAARN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](C(F)(F)C(F)F)C2)cc1 ZINC000033434155 557397340 /nfs/dbraw/zinc/39/73/40/557397340.db2.gz FYZYLZYTAQDYCB-GOSISDBHSA-N 0 0 435.446 5.702 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cc2ccccc2o1 ZINC000013955790 557397456 /nfs/dbraw/zinc/39/74/56/557397456.db2.gz MHKHVDDEZRLINO-UHFFFAOYSA-N 0 0 446.454 5.461 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2c(F)cccc2F)n1C(C)C ZINC000013956672 557398811 /nfs/dbraw/zinc/39/88/11/557398811.db2.gz LQCMEPUXWKZNMR-UHFFFAOYSA-N 0 0 446.523 5.064 50 0 IKAARN Cc1ccc(C(=O)Oc2ccc([C@@H]3C4C(=O)CC(C)(C)CC4=Nc4ncnn43)cc2)cc1 ZINC000102858423 557399127 /nfs/dbraw/zinc/39/91/27/557399127.db2.gz NJRVLEFVVIPAPW-JOCHJYFZSA-N 0 0 428.492 5.113 50 0 IKAARN CC(C)[C@@H](O)P(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000100321153 557399646 /nfs/dbraw/zinc/39/96/46/557399646.db2.gz ITBZCTBEJMCLOU-GCWMNCCDSA-N 0 0 430.610 7.109 50 0 IKAARN CCCCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Nc2cccc(Cl)c2)c2ccc(C)cc21 ZINC000004886811 557401531 /nfs/dbraw/zinc/40/15/31/557401531.db2.gz JHOLAWICKNKJQB-UTKZUKDTSA-N 0 0 427.976 6.217 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1 ZINC000100429432 557402455 /nfs/dbraw/zinc/40/24/55/557402455.db2.gz CLGJGVPRZABLNA-CLYVBNDRSA-N 0 0 442.515 6.248 50 0 IKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1 ZINC000100429437 557402679 /nfs/dbraw/zinc/40/26/79/557402679.db2.gz CLGJGVPRZABLNA-DNOBIOAJSA-N 0 0 442.515 6.248 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 ZINC000004903174 557402693 /nfs/dbraw/zinc/40/26/93/557402693.db2.gz QORVXDIAFCOZLR-OAQYLSRUSA-N 0 0 425.532 5.253 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000100425940 557402714 /nfs/dbraw/zinc/40/27/14/557402714.db2.gz VEDLRAWCYYZOTG-MUAVYFROSA-N 0 0 436.555 6.873 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000118921908 557406389 /nfs/dbraw/zinc/40/63/89/557406389.db2.gz DGHNSOORNPGMCA-VGPWYMMASA-N 0 0 426.645 5.278 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000102879525 557407357 /nfs/dbraw/zinc/40/73/57/557407357.db2.gz GZCBREOSOKFUPB-HRFSGMKKSA-N 0 0 442.946 6.910 50 0 IKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000102879527 557407502 /nfs/dbraw/zinc/40/75/02/557407502.db2.gz GZCBREOSOKFUPB-CCLHPLFOSA-N 0 0 442.946 6.910 50 0 IKAARN C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4cccs4)n3-c3ccccc3)cc21 ZINC000102896379 557410886 /nfs/dbraw/zinc/41/08/86/557410886.db2.gz LYRHDLHXMAVQIZ-CQSZACIVSA-N 0 0 446.557 5.026 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(C)c12 ZINC000004936227 557411006 /nfs/dbraw/zinc/41/10/06/557411006.db2.gz HHCDBIRXEVPJTA-IBGZPJMESA-N 0 0 426.564 5.464 50 0 IKAARN O=C(c1cccs1)[C@@H]1C(c2ccc(Cl)cc2Cl)=NO[C@]12C(=O)Nc1ccccc12 ZINC000102898465 557411090 /nfs/dbraw/zinc/41/10/90/557411090.db2.gz RISIPFOKZDLDST-UWJYYQICSA-N 0 0 443.311 5.136 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)C(N1CCOCC1)=Nc1ccccc1O2)c1ccccc1 ZINC000102903478 557411694 /nfs/dbraw/zinc/41/16/94/557411694.db2.gz DMVSYFGRLNKQMU-OAQYLSRUSA-N 0 0 441.531 5.335 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc2c(c1)C(N(CC)CC)=Nc1ccccc1O2)c1ccccc1 ZINC000102903468 557411711 /nfs/dbraw/zinc/41/17/11/557411711.db2.gz SRNDWRMTPVYWMP-OAQYLSRUSA-N 0 0 427.548 6.345 50 0 IKAARN CCOc1cc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)ccc1OC(F)F ZINC000024459736 557413368 /nfs/dbraw/zinc/41/33/68/557413368.db2.gz NVGAECLFWMFWCB-CSKARUKUSA-N 0 0 433.476 5.583 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000004951512 557414788 /nfs/dbraw/zinc/41/47/88/557414788.db2.gz IIZNEQLGZAAGFS-CJFMBICVSA-N 0 0 427.610 6.065 50 0 IKAARN CC(C)CN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccccc1F ZINC000004951501 557414812 /nfs/dbraw/zinc/41/48/12/557414812.db2.gz OXXNNHAYRGBGES-UHFFFAOYSA-N 0 0 426.507 5.245 50 0 IKAARN O=C(Nc1ccc(F)cc1)N1CCCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000103071967 557418080 /nfs/dbraw/zinc/41/80/80/557418080.db2.gz CSXDUOPCMIFNQN-UHFFFAOYSA-N 0 0 430.483 5.250 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1cccn1Cc1ccccc1Cl)CC(C)C ZINC000004978164 557422481 /nfs/dbraw/zinc/42/24/81/557422481.db2.gz AERWVMWSAFBEFO-UHFFFAOYSA-N 0 0 425.960 5.889 50 0 IKAARN CCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000004976666 557422492 /nfs/dbraw/zinc/42/24/92/557422492.db2.gz MXEMYXJZLCUHEA-UHFFFAOYSA-N 0 0 430.589 5.153 50 0 IKAARN CC[C@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000004977387 557422511 /nfs/dbraw/zinc/42/25/11/557422511.db2.gz ZUVQZDRBPVPGRD-KRWDZBQOSA-N 0 0 430.589 5.152 50 0 IKAARN CCC(=O)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccccc1 ZINC000033619942 557425552 /nfs/dbraw/zinc/42/55/52/557425552.db2.gz MPIVXWCTSAWDTP-UHFFFAOYSA-N 0 0 439.584 6.197 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccco1 ZINC000103523483 557438369 /nfs/dbraw/zinc/43/83/69/557438369.db2.gz KOMGXIFITASVFW-AREMUKBSSA-N 0 0 426.516 6.315 50 0 IKAARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000103524820 557438404 /nfs/dbraw/zinc/43/84/04/557438404.db2.gz LWNNTGLJJKCIJE-QHCPKHFHSA-N 0 0 435.593 5.856 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2ccccc2F)[C@H]1c1c(Cl)cccc1Cl ZINC000103623821 557439263 /nfs/dbraw/zinc/43/92/63/557439263.db2.gz ARWFWTVNDNUYAU-DEOSSOPVSA-N 0 0 429.366 6.458 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)[C@H]1C ZINC000103670473 557440112 /nfs/dbraw/zinc/44/01/12/557440112.db2.gz LMGHQHYNGFHAHX-VKJFTORMSA-N 0 0 440.588 5.141 50 0 IKAARN Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@H]1c1ccccc1Cl ZINC000103623955 557440280 /nfs/dbraw/zinc/44/02/80/557440280.db2.gz BKPMHJQAFBRMNV-XMMPIXPASA-N 0 0 429.366 6.539 50 0 IKAARN CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1 ZINC000103890308 557442345 /nfs/dbraw/zinc/44/23/45/557442345.db2.gz PRWUKRXYJYHDLH-HMILPKGGSA-N 0 0 440.543 6.723 50 0 IKAARN Cc1cccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)NC(C)C)c2)c1 ZINC000037600477 557447257 /nfs/dbraw/zinc/44/72/57/557447257.db2.gz OUXIZGOOQQTECI-UHFFFAOYSA-N 0 0 433.527 5.440 50 0 IKAARN CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccc(C)cc1 ZINC000096294021 557450970 /nfs/dbraw/zinc/45/09/70/557450970.db2.gz MXAMODDXXXAKFQ-UHFFFAOYSA-N 0 0 432.549 5.089 50 0 IKAARN CCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000096289033 557451223 /nfs/dbraw/zinc/45/12/23/557451223.db2.gz NBEDPLJMBRIBNZ-UHFFFAOYSA-N 0 0 431.967 6.089 50 0 IKAARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000104153594 557451252 /nfs/dbraw/zinc/45/12/52/557451252.db2.gz YJVOYPLHJOXXDS-AREMUKBSSA-N 0 0 432.564 6.534 50 0 IKAARN CC(=O)c1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)cc1 ZINC000096292286 557451369 /nfs/dbraw/zinc/45/13/69/557451369.db2.gz CQQLITVWMNPADZ-UHFFFAOYSA-N 0 0 445.950 5.357 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000014707393 557451668 /nfs/dbraw/zinc/45/16/68/557451668.db2.gz IXOLIOGURGQZSA-UHFFFAOYSA-N 0 0 449.841 6.097 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)cc1 ZINC000096318425 557451895 /nfs/dbraw/zinc/45/18/95/557451895.db2.gz AEIOJKJWZQWQJL-UHFFFAOYSA-N 0 0 444.466 5.499 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccs1 ZINC000104166918 557452141 /nfs/dbraw/zinc/45/21/41/557452141.db2.gz WKCIFVHQSMSDHQ-SANMLTNESA-N 0 0 442.584 6.783 50 0 IKAARN O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1ccc(F)cc1 ZINC000003162736 557458661 /nfs/dbraw/zinc/45/86/61/557458661.db2.gz KJFJRLBENNCLMY-UHFFFAOYSA-N 0 0 431.557 7.380 50 0 IKAARN COc1cccc(CN(Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000104961403 557469429 /nfs/dbraw/zinc/46/94/29/557469429.db2.gz VBAFMKZWDHNJIH-WOJBJXKFSA-N 0 0 435.568 5.221 50 0 IKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)n1 ZINC000104959653 557469594 /nfs/dbraw/zinc/46/95/94/557469594.db2.gz PGWJLGRDFVKUOP-ZWKOTPCHSA-N 0 0 425.960 5.620 50 0 IKAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000016399962 557472027 /nfs/dbraw/zinc/47/20/27/557472027.db2.gz WYCYSHLNQPWTAY-UHFFFAOYSA-N 0 0 447.966 5.318 50 0 IKAARN Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000105022697 557473104 /nfs/dbraw/zinc/47/31/04/557473104.db2.gz ACMDUCRFEHHFLQ-LYZGTLIUSA-N 0 0 440.587 5.189 50 0 IKAARN Cc1ccccc1N[P@](=O)(/C=C(/Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000018188059 557495993 /nfs/dbraw/zinc/49/59/93/557495993.db2.gz ZXCSHVYQIKZAQV-ICZBVKINSA-N 0 0 428.299 8.160 50 0 IKAARN O=C1CSC2=N[C@@H]3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@@H](c3ccc(Cl)cc3)N12 ZINC000051329849 557497270 /nfs/dbraw/zinc/49/72/70/557497270.db2.gz MLJGGZQKISBLGP-XNQXNLOKSA-N 0 0 443.399 6.232 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Oc3ccccc32)[C@H]1C ZINC000105451015 557498821 /nfs/dbraw/zinc/49/88/21/557498821.db2.gz ZWMDEIZTIUGOQB-MOHLYMNHSA-N 0 0 438.955 5.047 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2C2CCCCCC2)[C@H]1C ZINC000105469017 557499337 /nfs/dbraw/zinc/49/93/37/557499337.db2.gz NQLOBCDLLTUWMK-BVFWVQIHSA-N 0 0 439.600 5.113 50 0 IKAARN O=C1Nc2c(cc(Cl)cc2Cl)[C@@]12Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000051330294 557500965 /nfs/dbraw/zinc/50/09/65/557500965.db2.gz NLNANYATVPQJFK-IIBYNOLFSA-N 0 0 442.327 5.404 50 0 IKAARN CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)nc1C ZINC000051330456 557507262 /nfs/dbraw/zinc/50/72/62/557507262.db2.gz FCHAMQYISDHWJM-BVGOTIDCSA-N 0 0 442.588 5.612 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Cl ZINC000105548503 557507380 /nfs/dbraw/zinc/50/73/80/557507380.db2.gz DODPQYCQVRUPKH-HSZRJFAPSA-N 0 0 446.978 5.628 50 0 IKAARN FC(F)Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000105833430 557511299 /nfs/dbraw/zinc/51/12/99/557511299.db2.gz SYYYXSMEMGDUPA-DENIHFKCSA-N 0 0 426.850 6.184 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 ZINC000105833350 557511404 /nfs/dbraw/zinc/51/14/04/557511404.db2.gz MCMCHPQIQKPIKU-IAPPQJPRSA-N 0 0 436.942 7.249 50 0 IKAARN O=C1Nc2c(cc(Cl)cc2Cl)[C@]12Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000105972866 557512498 /nfs/dbraw/zinc/51/24/98/557512498.db2.gz NLNANYATVPQJFK-IERDGZPVSA-N 0 0 442.327 5.404 50 0 IKAARN O=C(Nc1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000000592742 557521040 /nfs/dbraw/zinc/52/10/40/557521040.db2.gz VSJSCBLEWVQRQB-UHFFFAOYSA-N 0 0 429.951 5.963 50 0 IKAARN CCCOc1c(Cl)cc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OC ZINC000002736852 557521843 /nfs/dbraw/zinc/52/18/43/557521843.db2.gz VXQJLPSJVCUGFX-OMCISZLKSA-N 0 0 442.245 5.414 50 0 IKAARN Cc1cccc(N2C(=S)N=NC2c2cc(Br)c(Br)s2)c1C ZINC000002791628 557522062 /nfs/dbraw/zinc/52/20/62/557522062.db2.gz XXZVJTUWNDXQLP-UHFFFAOYSA-N 0 0 445.205 5.426 50 0 IKAARN O=C(NCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000003012689 557522953 /nfs/dbraw/zinc/52/29/53/557522953.db2.gz QEBYXFORVZPWQE-BKUYFWCQSA-N 0 0 425.315 5.081 50 0 IKAARN O=S(=O)(c1ccc(/C=C/c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1)C(F)F ZINC000003177694 557523475 /nfs/dbraw/zinc/52/34/75/557523475.db2.gz UHDLPVSQNHNNIK-VOTSOKGWSA-N 0 0 437.467 6.175 50 0 IKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)n1 ZINC000012032691 557524417 /nfs/dbraw/zinc/52/44/17/557524417.db2.gz LRTVOEGSHYUCJR-AWEZNQCLSA-N 0 0 432.307 5.599 50 0 IKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)n1 ZINC000012032690 557524493 /nfs/dbraw/zinc/52/44/93/557524493.db2.gz LRTVOEGSHYUCJR-CQSZACIVSA-N 0 0 432.307 5.599 50 0 IKAARN O=C(c1ccc(Cl)cc1Cl)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)NC1=S ZINC000003308349 557524709 /nfs/dbraw/zinc/52/47/09/557524709.db2.gz AVSZSJNYIFGNRR-NSIKDUERSA-N 0 0 446.142 5.198 50 0 IKAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(SC)cc3)C2)c2ccccc12 ZINC000012039844 557525026 /nfs/dbraw/zinc/52/50/26/557525026.db2.gz XIOSLFFWDWFRFP-KRWDZBQOSA-N 0 0 434.561 5.061 50 0 IKAARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)/C=C/c1ccccc1 ZINC000003361691 557526437 /nfs/dbraw/zinc/52/64/37/557526437.db2.gz OULDULXTSSUXBX-FYWRMAATSA-N 0 0 437.495 6.028 50 0 IKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccc(Br)c2)N[C@H]1c1cccc(Br)c1 ZINC000013154603 557526992 /nfs/dbraw/zinc/52/69/92/557526992.db2.gz QLAGUGWBFPPFDV-FVEFGIFQSA-N 0 0 437.175 5.439 50 0 IKAARN COc1ccccc1C1=C(CN2CCOCC2)[C@@H](c2ccc(F)cc2)c2ccccc2O1 ZINC000025178246 557528797 /nfs/dbraw/zinc/52/87/97/557528797.db2.gz ALSUGJCUGQVFHU-SANMLTNESA-N 0 0 431.507 5.102 50 0 IKAARN COc1ccccc1C1=C(CN2CCOCC2)[C@H](c2ccc(F)cc2)c2ccccc2O1 ZINC000025178255 557528817 /nfs/dbraw/zinc/52/88/17/557528817.db2.gz ALSUGJCUGQVFHU-AREMUKBSSA-N 0 0 431.507 5.102 50 0 IKAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]12 ZINC000025184839 557529144 /nfs/dbraw/zinc/52/91/44/557529144.db2.gz JKFFPBPVDGNIPG-IRLDBZIGSA-N 0 0 447.888 5.683 50 0 IKAARN Cn1cc([C@H](CC(=O)NC[C@]2(C)CCCO2)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000106798175 557532752 /nfs/dbraw/zinc/53/27/52/557532752.db2.gz USWWPCPQXBBLEU-KOSHJBKYSA-N 0 0 445.390 5.692 50 0 IKAARN Cn1cc([C@H](CC(=O)NC[C@@]2(C)CCCO2)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000106798172 557532774 /nfs/dbraw/zinc/53/27/74/557532774.db2.gz USWWPCPQXBBLEU-HOYKHHGWSA-N 0 0 445.390 5.692 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000106937278 557533856 /nfs/dbraw/zinc/53/38/56/557533856.db2.gz KFXIRDYUFKJWPD-GMAHTHKFSA-N 0 0 443.761 7.198 50 0 IKAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000211084662 557533974 /nfs/dbraw/zinc/53/39/74/557533974.db2.gz GCRHSUZHNDMEJT-UHFFFAOYSA-N 0 0 431.538 5.595 50 0 IKAARN CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1ccc(C)cc1 ZINC000107130350 557534803 /nfs/dbraw/zinc/53/48/03/557534803.db2.gz NJKAQALQDVNYNR-UHFFFAOYSA-N 0 0 432.549 5.089 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2C(=O)NC2CC2)nnc1-c1cccs1 ZINC000107403613 557535944 /nfs/dbraw/zinc/53/59/44/557535944.db2.gz HFTGVNLNXCGUMZ-UHFFFAOYSA-N 0 0 446.601 5.489 50 0 IKAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc21)[C@@H]1C[C@@H]1C ZINC000107508384 557536090 /nfs/dbraw/zinc/53/60/90/557536090.db2.gz GTPJOUCVMBDGOE-VBRRKGIISA-N 0 0 446.616 5.593 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000107552469 557536413 /nfs/dbraw/zinc/53/64/13/557536413.db2.gz XQMMFHWGLTVXCM-UHFFFAOYSA-N 0 0 426.343 6.774 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1Cl ZINC000085808132 557536764 /nfs/dbraw/zinc/53/67/64/557536764.db2.gz ABYMEBLFWHRUMB-UHFFFAOYSA-N 0 0 439.874 6.289 50 0 IKAARN COc1cc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)cc(OC)c1OC ZINC000085808335 557536775 /nfs/dbraw/zinc/53/67/75/557536775.db2.gz AKVBLRIXSRVGLU-UHFFFAOYSA-N 0 0 431.492 5.813 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@H](/C=C\c2ccccc2)C1 ZINC000107767673 557536796 /nfs/dbraw/zinc/53/67/96/557536796.db2.gz JECFLWYVNMSGND-DDNJPHGJSA-N 0 0 425.919 5.628 50 0 IKAARN CCCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)sc1N[C@H]1OC(=O)c2ccccc21 ZINC000044827160 557537360 /nfs/dbraw/zinc/53/73/60/557537360.db2.gz SITVYJRNYNQYDU-SFHVURJKSA-N 0 0 445.537 5.250 50 0 IKAARN O=C(C1CCC1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000044854839 557537717 /nfs/dbraw/zinc/53/77/17/557537717.db2.gz GMTFUVVFUCIJNT-QGZVFWFLSA-N 0 0 435.326 5.454 50 0 IKAARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(C(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000044859750 557538559 /nfs/dbraw/zinc/53/85/59/557538559.db2.gz GDDADAFPIWWYRB-VWLOTQADSA-N 0 0 429.564 6.325 50 0 IKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837341 557538850 /nfs/dbraw/zinc/53/88/50/557538850.db2.gz GUFAFSORGXXAQB-UHFFFAOYSA-N 0 0 446.304 5.323 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837505 557538918 /nfs/dbraw/zinc/53/89/18/557538918.db2.gz CSFZBQOQKSBQNY-UHFFFAOYSA-N 0 0 435.119 5.162 50 0 IKAARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000108055068 557540661 /nfs/dbraw/zinc/54/06/61/557540661.db2.gz KSKGSTRFGYYLGO-UHFFFAOYSA-N 0 0 425.517 5.004 50 0 IKAARN COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000044974305 557542235 /nfs/dbraw/zinc/54/22/35/557542235.db2.gz AYNULYJJGCOJGK-UHFFFAOYSA-N 0 0 438.698 5.130 50 0 IKAARN O=S(=O)(c1nc(-c2ccco2)oc1SCc1ccccc1)c1ccc(Cl)cc1 ZINC000051353936 557542480 /nfs/dbraw/zinc/54/24/80/557542480.db2.gz LMFPEODIKCFRED-UHFFFAOYSA-N 0 0 431.922 5.713 50 0 IKAARN C[C@H](OC/C=C\c1ccccc1)c1nc2ccccc2c(=O)n1NC/C=C\c1ccccc1 ZINC000108869017 557543770 /nfs/dbraw/zinc/54/37/70/557543770.db2.gz VBBGSCFNHSGYRG-XLXDDLSASA-N 0 0 437.543 5.444 50 0 IKAARN Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)CC(C)(C)C)n2)cc1Cl ZINC000109028946 557545370 /nfs/dbraw/zinc/54/53/70/557545370.db2.gz VPRWXKOIHRFRTM-UHFFFAOYSA-N 0 0 425.960 5.706 50 0 IKAARN COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@H](C)[C@@H]32)ccc1OCc1c(C)noc1C ZINC000109048118 557545598 /nfs/dbraw/zinc/54/55/98/557545598.db2.gz SWKLBDWPNPBGNR-YNBLXMKKSA-N 0 0 438.568 5.319 50 0 IKAARN O=c1c2ccccc2nc(/C=C/c2ccc(OCc3cscn3)cc2)n1-c1ccccc1 ZINC000045866004 557546008 /nfs/dbraw/zinc/54/60/08/557546008.db2.gz PSBHQFDEHJADCM-NTCAYCPXSA-N 0 0 437.524 5.592 50 0 IKAARN O=C(OC[C@H]1COc2ccccc21)c1nc2ccccc2nc1Nc1ccc(Cl)cc1 ZINC000045901747 557546655 /nfs/dbraw/zinc/54/66/55/557546655.db2.gz PGVPQNSSHPPRKO-OAHLLOKOSA-N 0 0 431.879 5.360 50 0 IKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5n4C)cc3)n[nH]2)cc1 ZINC000045901813 557546730 /nfs/dbraw/zinc/54/67/30/557546730.db2.gz CBRMEAXWIDQXOG-UHFFFAOYSA-N 0 0 449.558 5.563 50 0 IKAARN CCCCSc1nc2c3cccnc3sc2c(=O)n1Cc1ccc(OCCC)cc1 ZINC000045924090 557547291 /nfs/dbraw/zinc/54/72/91/557547291.db2.gz WYLFQLQFAFSEMQ-UHFFFAOYSA-N 0 0 439.606 5.736 50 0 IKAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000045921402 557547553 /nfs/dbraw/zinc/54/75/53/557547553.db2.gz BZDSLVXGSQUEBG-FQEVSTJZSA-N 0 0 446.620 5.073 50 0 IKAARN Cc1ccc(Cn2c(SCc3cccc(C)c3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045924307 557547757 /nfs/dbraw/zinc/54/77/57/557547757.db2.gz APIBORTZYLYDDK-UHFFFAOYSA-N 0 0 443.597 5.964 50 0 IKAARN CCCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccccc2C)no1 ZINC000045939309 557548321 /nfs/dbraw/zinc/54/83/21/557548321.db2.gz IWUGTEGOKXYLKG-UHFFFAOYSA-N 0 0 426.567 5.299 50 0 IKAARN Cc1ccc(Sc2cc3c(cc2NC(=O)c2cccc(Cl)c2)n(C)c(=O)n3C)cc1 ZINC000045940961 557549338 /nfs/dbraw/zinc/54/93/38/557549338.db2.gz NEYGTGDJWHWVBK-UHFFFAOYSA-N 0 0 437.952 5.242 50 0 IKAARN CCn1c2cc(NC(=O)c3ccccc3OC)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940818 557549340 /nfs/dbraw/zinc/54/93/40/557549340.db2.gz VVFMEUXMFPKIKK-UHFFFAOYSA-N 0 0 447.560 5.255 50 0 IKAARN CCn1c2cc(NC(=O)c3cccc(OC)c3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940830 557549367 /nfs/dbraw/zinc/54/93/67/557549367.db2.gz UOBFDKCOFDGWTJ-UHFFFAOYSA-N 0 0 447.560 5.255 50 0 IKAARN CCCCn1c2nnc(SCc3cccc(C(F)(F)F)c3)n2c2ccsc2c1=O ZINC000045924381 557549470 /nfs/dbraw/zinc/54/94/70/557549470.db2.gz SPJRGLGNHCQGPE-UHFFFAOYSA-N 0 0 438.500 5.217 50 0 IKAARN O=c1c2sccc2n2c(SCc3ccccc3Cl)nnc2n1Cc1cccs1 ZINC000045924483 557549531 /nfs/dbraw/zinc/54/95/31/557549531.db2.gz MPEPCOHBYOESQH-UHFFFAOYSA-N 0 0 444.994 5.161 50 0 IKAARN Cc1ccc(Sc2cc3c(cc2NC(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 ZINC000045940971 557549604 /nfs/dbraw/zinc/54/96/04/557549604.db2.gz OOXGXNFQOWTHSG-UHFFFAOYSA-N 0 0 437.952 5.242 50 0 IKAARN COc1cccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)c(C)o2)c1OC ZINC000045924701 557549870 /nfs/dbraw/zinc/54/98/70/557549870.db2.gz ONZUJXFXZLPLMO-UHFFFAOYSA-N 0 0 435.505 5.122 50 0 IKAARN COc1ccc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)c(C)o2)cc1 ZINC000045924854 557549881 /nfs/dbraw/zinc/54/98/81/557549881.db2.gz FBSLJVYAKNKVEQ-UHFFFAOYSA-N 0 0 433.533 5.346 50 0 IKAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000045924684 557549908 /nfs/dbraw/zinc/54/99/08/557549908.db2.gz NWXZUSCOWVEOHT-UHFFFAOYSA-N 0 0 433.533 5.892 50 0 IKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000045928135 557550419 /nfs/dbraw/zinc/55/04/19/557550419.db2.gz IYEVQAGVNXWUGO-JOCHJYFZSA-N 0 0 437.442 5.349 50 0 IKAARN CC(C)(C)c1ccc(C2=NC3(CCCCCC3)N(C(=O)c3cccc(F)c3)C2=S)cc1 ZINC000045933258 557550546 /nfs/dbraw/zinc/55/05/46/557550546.db2.gz MVYSGEDLBYCDMP-UHFFFAOYSA-N 0 0 436.596 6.446 50 0 IKAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@H](c2ccccc2F)C1c1ccc(Cl)cc1 ZINC000045928436 557550554 /nfs/dbraw/zinc/55/05/54/557550554.db2.gz NUFRACOTWYKITP-JOCHJYFZSA-N 0 0 437.854 5.261 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045941402 557551088 /nfs/dbraw/zinc/55/10/88/557551088.db2.gz SGDQGMHICWDSBI-HSZRJFAPSA-N 0 0 435.907 5.410 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000045941590 557551268 /nfs/dbraw/zinc/55/12/68/557551268.db2.gz PMHQKSIKEWDPMA-HSZRJFAPSA-N 0 0 448.360 6.119 50 0 IKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2Br)cc1 ZINC000045941585 557551292 /nfs/dbraw/zinc/55/12/92/557551292.db2.gz GQTLBQOTDTVMST-QHCPKHFHSA-N 0 0 448.360 6.119 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1OC ZINC000045941803 557551336 /nfs/dbraw/zinc/55/13/36/557551336.db2.gz KJMIWUINGLPXAF-RUZDIDTESA-N 0 0 429.516 5.108 50 0 IKAARN COC(=O)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(SC)cc2)cc1 ZINC000045942011 557551462 /nfs/dbraw/zinc/55/14/62/557551462.db2.gz WPXILNZVMJZSOG-QHCPKHFHSA-N 0 0 445.540 5.248 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942490 557551942 /nfs/dbraw/zinc/55/19/42/557551942.db2.gz AJWOFDLCFYBCCT-OAQYLSRUSA-N 0 0 438.296 5.954 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942538 557551949 /nfs/dbraw/zinc/55/19/49/557551949.db2.gz ILVJPZAOKKWPTJ-RUZDIDTESA-N 0 0 429.516 5.884 50 0 IKAARN COc1cc(OC)c(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1Cl ZINC000045943357 557552359 /nfs/dbraw/zinc/55/23/59/557552359.db2.gz WDVORSLTTHEZEK-UHFFFAOYSA-N 0 0 432.929 5.360 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H](C)Sc1ncc(-c2cccc(Br)c2)o1 ZINC000045943410 557552598 /nfs/dbraw/zinc/55/25/98/557552598.db2.gz LXCLECZWXZOAIJ-CYBMUJFWSA-N 0 0 431.355 5.786 50 0 IKAARN CCOc1ccc2ncc3c(sc(C(=O)NC[C@H]4CCCO4)c3-c3ccc(C)cc3)c2c1 ZINC000045943835 557552625 /nfs/dbraw/zinc/55/26/25/557552625.db2.gz OQZSJCRGZTXDCR-LJQANCHMSA-N 0 0 446.572 5.732 50 0 IKAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000045967368 557557242 /nfs/dbraw/zinc/55/72/42/557557242.db2.gz VVLRPOIJRACGTD-UHFFFAOYSA-N 0 0 447.922 6.343 50 0 IKAARN O=C(c1cccs1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000038257064 557568335 /nfs/dbraw/zinc/56/83/35/557568335.db2.gz FMXAWRCGHYGXPB-XDOMSBSOSA-N 0 0 434.511 6.463 50 0 IKAARN CCCc1noc([C@H](C)Sc2nnc(CSc3nc4ccccc4s3)n2CC)n1 ZINC000027777798 557583829 /nfs/dbraw/zinc/58/38/29/557583829.db2.gz HOHUKQAUCFRTEE-LBPRGKRZSA-N 0 0 446.627 5.389 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](c1ccc(F)cc1)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546190 557591050 /nfs/dbraw/zinc/59/10/50/557591050.db2.gz HECPKJCKCKQMAL-QFIPXVFZSA-N 0 0 440.540 5.033 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547107 557591911 /nfs/dbraw/zinc/59/19/11/557591911.db2.gz YUOLVDSBNIMCHU-QHCPKHFHSA-N 0 0 447.560 6.069 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2nc(C)cc(C)n2)c2ccsc2)c1C ZINC000038548177 557592279 /nfs/dbraw/zinc/59/22/79/557592279.db2.gz ASEBGTFBOQFLTE-LJQANCHMSA-N 0 0 438.578 5.880 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000038624098 557598894 /nfs/dbraw/zinc/59/88/94/557598894.db2.gz BQNDYWQNPGBTEQ-SANMLTNESA-N 0 0 425.532 5.225 50 0 IKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000039404512 557646890 /nfs/dbraw/zinc/64/68/90/557646890.db2.gz JFKHTAOEQKQUED-KTBQNSCASA-N 0 0 439.005 6.900 50 0 IKAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000040086835 557694828 /nfs/dbraw/zinc/69/48/28/557694828.db2.gz WSMUFTUNFKMCEG-FOWTUZBSSA-N 0 0 428.488 5.076 50 0 IKAARN COc1cccc([C@@H]2CC(c3cccc(N(C)C)c3)=NN2C(=S)Nc2ccccc2)c1 ZINC000225516680 557733968 /nfs/dbraw/zinc/73/39/68/557733968.db2.gz YPOBMGZEPGDYSN-DEOSSOPVSA-N 0 0 430.577 5.309 50 0 IKAARN COc1ccc(N2C[C@H](c3nc(-c4ccc(Oc5ccc(F)cc5)cc4)no3)CC2=O)cc1 ZINC000040454681 557737517 /nfs/dbraw/zinc/73/75/17/557737517.db2.gz VBGCXRYFEPSFFM-QGZVFWFLSA-N 0 0 445.450 5.197 50 0 IKAARN CCc1nc(-c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2)cs1 ZINC000040454974 557737533 /nfs/dbraw/zinc/73/75/33/557737533.db2.gz XGHWRQVJWFOFAS-SFHVURJKSA-N 0 0 430.533 5.251 50 0 IKAARN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Cc3cccc(Cl)c3)C2)n1 ZINC000225565514 557743223 /nfs/dbraw/zinc/74/32/23/557743223.db2.gz HLPLTTNSFDMSSW-QGZVFWFLSA-N 0 0 426.969 5.421 50 0 IKAARN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)CCC(=O)c3ccc(C)cc3)C2)n1 ZINC000225565842 557743237 /nfs/dbraw/zinc/74/32/37/557743237.db2.gz QWAMCVMLSBEHFB-HXUWFJFHSA-N 0 0 448.588 5.496 50 0 IKAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c2cnn(C(C)C)c2n1 ZINC000225578395 557746151 /nfs/dbraw/zinc/74/61/51/557746151.db2.gz QDMIVKSGFOKVLS-JOCHJYFZSA-N 0 0 428.540 5.078 50 0 IKAARN CC(C)(C)OC(=O)NC1(c2noc([C@@H]3CCCCN3Cc3ccccc3)n2)CCCC1 ZINC000225630725 557754351 /nfs/dbraw/zinc/75/43/51/557754351.db2.gz LTXQVPIYGIREEN-IBGZPJMESA-N 0 0 426.561 5.091 50 0 IKAARN FC(F)(F)c1ccc2sc(N3CCOC[C@H]3c3nc(-c4cccs4)no3)nc2c1 ZINC000225813686 557780140 /nfs/dbraw/zinc/78/01/40/557780140.db2.gz NEBAVBYZUOJWFI-LBPRGKRZSA-N 0 0 438.456 5.005 50 0 IKAARN O=C(c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000000842137 557796456 /nfs/dbraw/zinc/79/64/56/557796456.db2.gz PZRGNUYBZGGEIO-OAQYLSRUSA-N 0 0 445.320 5.317 50 0 IKAARN Cc1oc2cc(OCc3ccc(Cl)cc3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000000842836 557802513 /nfs/dbraw/zinc/80/25/13/557802513.db2.gz DATRWOVLWRWIKN-UHFFFAOYSA-N 0 0 448.902 6.162 50 0 biogenic IKAARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 ZINC000226826041 557809448 /nfs/dbraw/zinc/80/94/48/557809448.db2.gz SEPGHCCRPAHPBO-YTFSRNRJSA-N 0 0 432.907 5.008 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000000847183 557829365 /nfs/dbraw/zinc/82/93/65/557829365.db2.gz YKCRJBFHLOVOFQ-UHFFFAOYSA-N 0 0 429.863 5.957 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000024989319 557830015 /nfs/dbraw/zinc/83/00/15/557830015.db2.gz LVDAWLAROUVQHG-HNNXBMFYSA-N 0 0 444.409 5.501 50 0 IKAARN COc1cc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc(OC)c1OC ZINC000000850230 557830647 /nfs/dbraw/zinc/83/06/47/557830647.db2.gz NDUUWRNNVFXOKW-UHFFFAOYSA-N 0 0 427.309 5.362 50 0 IKAARN COc1ccc(CN(CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000000856842 557831395 /nfs/dbraw/zinc/83/13/95/557831395.db2.gz RMBQATLXSBUNCR-RPWUZVMVSA-N 0 0 439.596 5.431 50 0 biogenic IKAARN CCOc1ccc2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c(=O)oc2c1 ZINC000000856353 557831438 /nfs/dbraw/zinc/83/14/38/557831438.db2.gz DVOGCYSMSYIPHH-UHFFFAOYSA-N 0 0 432.423 6.078 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000229994540 557834765 /nfs/dbraw/zinc/83/47/65/557834765.db2.gz GWFDKPXTLMKEHJ-QKNQBKEWSA-N 0 0 439.298 5.045 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229999814 557835118 /nfs/dbraw/zinc/83/51/18/557835118.db2.gz SALBNUSWSPILRS-PWRODBHTSA-N 0 0 439.298 5.045 50 0 IKAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](c3cccs3)c3ccccc3)ccc12 ZINC000018536888 557835153 /nfs/dbraw/zinc/83/51/53/557835153.db2.gz QPMGLLLGTJYECR-VWLOTQADSA-N 0 0 433.529 5.092 50 0 IKAARN CC(C)[C@@H]1CC[C@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1ccc2ccccc2c1 ZINC000231426942 557836054 /nfs/dbraw/zinc/83/60/54/557836054.db2.gz HDZUKAKJNUJUAC-KGKZSPKZSA-N 0 0 434.583 7.694 50 0 IKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000013598533 557836265 /nfs/dbraw/zinc/83/62/65/557836265.db2.gz WENAUEXWDPYYJE-XXBNENTESA-N 0 0 447.362 5.831 50 0 IKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000013768589 557836596 /nfs/dbraw/zinc/83/65/96/557836596.db2.gz RWYZGOSJNMNCMW-WXVAWEFUSA-N 0 0 444.531 5.653 50 0 IKAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1c(F)cccc1F)C2 ZINC000014993851 557838731 /nfs/dbraw/zinc/83/87/31/557838731.db2.gz OTVHJHBMZPMEAD-UHFFFAOYSA-N 0 0 438.499 5.645 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000865327 557839060 /nfs/dbraw/zinc/83/90/60/557839060.db2.gz PNCVTURHDQMKFE-SJLPKXTDSA-N 0 0 434.849 5.758 50 0 IKAARN CC[C@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000866817 557839779 /nfs/dbraw/zinc/83/97/79/557839779.db2.gz LIPPHDMICQMURW-RJIBLYRGSA-N 0 0 435.277 5.379 50 0 IKAARN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCCC1 ZINC000000867008 557839923 /nfs/dbraw/zinc/83/99/23/557839923.db2.gz PBXZJTCEKAJLNC-HUUCEWRRSA-N 0 0 444.860 5.352 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 ZINC000000867062 557839948 /nfs/dbraw/zinc/83/99/48/557839948.db2.gz JAWYITGVFTYRFB-GJZGRUSLSA-N 0 0 438.837 5.028 50 0 IKAARN O=P(C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000003185389 557841744 /nfs/dbraw/zinc/84/17/44/557841744.db2.gz WWRVWJSRZZIELC-ZNTNEXAZSA-N 0 0 441.511 5.422 50 0 IKAARN Cc1cccc([C@@]2(c3ccccc3)OC(=O)[C@@](c3ccccc3)(c3cccc(C)c3)OC2=O)c1 ZINC000003080929 557842152 /nfs/dbraw/zinc/84/21/52/557842152.db2.gz NKLQBTIQTRJJAO-LOYHVIPDSA-N 0 0 448.518 5.591 50 0 IKAARN O=C(Nc1cc(F)ccc1F)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000003086226 557842268 /nfs/dbraw/zinc/84/22/68/557842268.db2.gz BOMCNHPGYGYGGH-UHFFFAOYSA-N 0 0 437.509 7.556 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000000877982 557848632 /nfs/dbraw/zinc/84/86/32/557848632.db2.gz TYCPLUYPWCGDKA-UHFFFAOYSA-N 0 0 431.492 5.369 50 0 IKAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000000886624 557855744 /nfs/dbraw/zinc/85/57/44/557855744.db2.gz FUMIMXGRIKPXQN-UHFFFAOYSA-N 0 0 443.576 5.227 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 ZINC000000886867 557855781 /nfs/dbraw/zinc/85/57/81/557855781.db2.gz AZERWIPKUVIMRO-UHFFFAOYSA-N 0 0 431.517 5.355 50 0 IKAARN CC(C)c1c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000025053013 557857106 /nfs/dbraw/zinc/85/71/06/557857106.db2.gz ZMNNLGJRPMIMLI-MDZDMXLPSA-N 0 0 430.335 5.258 50 0 IKAARN CCOc1ccc(-n2c(SCc3nc(CC)no3)nnc2-c2ccccc2Cl)cc1 ZINC000025056918 557858860 /nfs/dbraw/zinc/85/88/60/557858860.db2.gz JQYFKXBCOGLUJG-UHFFFAOYSA-N 0 0 441.944 5.224 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2)cc1 ZINC000000890651 557859076 /nfs/dbraw/zinc/85/90/76/557859076.db2.gz JOMMXMBPNVRQMV-KBPBESRZSA-N 0 0 439.503 5.053 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1Cl ZINC000000892493 557860459 /nfs/dbraw/zinc/86/04/59/557860459.db2.gz TUVCPZKJMRZBOQ-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc21 ZINC000000892280 557860517 /nfs/dbraw/zinc/86/05/17/557860517.db2.gz LIBOHYUFGUUJHN-UHFFFAOYSA-N 0 0 440.322 5.383 50 0 IKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cc2ccccc2oc1=O ZINC000018835772 557860652 /nfs/dbraw/zinc/86/06/52/557860652.db2.gz FLYYHBJATDUUPB-UHFFFAOYSA-N 0 0 438.277 5.088 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Br)cc1 ZINC000018832815 557862134 /nfs/dbraw/zinc/86/21/34/557862134.db2.gz VHLYSXSKFCMHHU-UHFFFAOYSA-N 0 0 434.721 5.205 50 0 IKAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 ZINC000018892937 557862720 /nfs/dbraw/zinc/86/27/20/557862720.db2.gz QNVAFCMWFHAKGB-UHFFFAOYSA-N 0 0 435.336 5.503 50 0 IKAARN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000001484338 560180687 /nfs/dbraw/zinc/18/06/87/560180687.db2.gz VKHAHZOOUSRJNA-SVTWOBQPSA-N 0 0 429.604 5.407 50 0 biogenic,in-vitro IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)Nc3cccnc3)cc2)cc1)Nc1cccnc1 ZINC000000640690 562918842 /nfs/dbraw/zinc/91/88/42/562918842.db2.gz KMGCWLZVNNGAJT-UHFFFAOYSA-N 0 0 438.491 5.355 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1Cl ZINC000000902026 562919537 /nfs/dbraw/zinc/91/95/37/562919537.db2.gz ACADGQGWXOGEKX-UHFFFAOYSA-N 0 0 443.834 5.148 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000000907639 562919590 /nfs/dbraw/zinc/91/95/90/562919590.db2.gz RKGCEMULRNJJLA-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN NC(=O)c1cc(-c2csc([C@H]3COc4ccccc4O3)n2)ccc1OCc1ccccc1 ZINC000000910046 562919596 /nfs/dbraw/zinc/91/95/96/562919596.db2.gz YNHSRUGJLDWTIA-HSZRJFAPSA-N 0 0 444.512 5.001 50 0 IKAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)c3ccco3)cc2oc1C(F)(F)F ZINC000000946480 562919764 /nfs/dbraw/zinc/91/97/64/562919764.db2.gz GSSOKXPOXOMGAM-UHFFFAOYSA-N 0 0 430.334 5.300 50 0 biogenic IKAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001026453 562920034 /nfs/dbraw/zinc/92/00/34/562920034.db2.gz HOENMPIVHMZBQH-UHFFFAOYSA-N 0 0 448.857 5.865 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4C)sc3n2)cc1OC ZINC000001088024 562920373 /nfs/dbraw/zinc/92/03/73/562920373.db2.gz AUFKXQQBEAXZES-UHFFFAOYSA-N 0 0 433.533 5.432 50 0 IKAARN COc1cccc(C(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c1 ZINC000001131564 562920596 /nfs/dbraw/zinc/92/05/96/562920596.db2.gz ZUWIGMJXQYBOCG-UHFFFAOYSA-N 0 0 428.484 5.271 50 0 aggregator,biogenic IKAARN Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)c1 ZINC000001300160 562921147 /nfs/dbraw/zinc/92/11/47/562921147.db2.gz HENCRDRZCWAPOJ-UHFFFAOYSA-N 0 0 433.602 6.437 50 0 IKAARN O=C(CSc1nccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000001388734 562921558 /nfs/dbraw/zinc/92/15/58/562921558.db2.gz ANNWRJXOLOYOMV-UHFFFAOYSA-N 0 0 432.254 5.568 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2c(Cl)cccc2Cl)n1 ZINC000001388262 562921567 /nfs/dbraw/zinc/92/15/67/562921567.db2.gz LSMIZQNWFFWTPY-UHFFFAOYSA-N 0 0 436.316 5.057 50 0 IKAARN Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Sc1cccc(Cl)c1 ZINC000001401163 562921709 /nfs/dbraw/zinc/92/17/09/562921709.db2.gz WYJOCCKBKUKOBU-UHFFFAOYSA-N 0 0 447.816 5.774 50 0 IKAARN COc1cc(OC)cc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)c1 ZINC000001447497 562921973 /nfs/dbraw/zinc/92/19/73/562921973.db2.gz IEPJZVGKRLMYBQ-UHFFFAOYSA-N 0 0 426.538 5.334 50 0 IKAARN COc1ccccc1C(=O)Nc1c(C(=O)N(C)c2ccccc2)sc2nc(C)cc(C)c21 ZINC000001428530 562921898 /nfs/dbraw/zinc/92/18/98/562921898.db2.gz UENQUSYXHYLLGP-UHFFFAOYSA-N 0 0 445.544 5.451 50 0 IKAARN Cc1nn2c(COc3ccc(NC(=O)c4ccccc4Cl)cc3)nnc2c2ccccc12 ZINC000001431633 562921903 /nfs/dbraw/zinc/92/19/03/562921903.db2.gz ZCOQKNVSWQHJRV-UHFFFAOYSA-N 0 0 443.894 5.071 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000001773503 562924543 /nfs/dbraw/zinc/92/45/43/562924543.db2.gz CBTNVKPTBXKJRU-UHFFFAOYSA-N 0 0 443.609 5.899 50 0 IKAARN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000001808239 562924760 /nfs/dbraw/zinc/92/47/60/562924760.db2.gz CLRUPSPKWGLTKV-UHFFFAOYSA-N 0 0 435.951 6.194 50 0 IKAARN COC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001826718 562924802 /nfs/dbraw/zinc/92/48/02/562924802.db2.gz PPFSIISDLIQSBY-QFIPXVFZSA-N 0 0 425.315 5.650 50 0 IKAARN COC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001837667 562924812 /nfs/dbraw/zinc/92/48/12/562924812.db2.gz UACIDLHDKXVDTL-JOCHJYFZSA-N 0 0 425.315 5.650 50 0 aggregator IKAARN COC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001826719 562924834 /nfs/dbraw/zinc/92/48/34/562924834.db2.gz PPFSIISDLIQSBY-JOCHJYFZSA-N 0 0 425.315 5.650 50 0 IKAARN CCOC(=O)c1c(Oc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001971311 562925436 /nfs/dbraw/zinc/92/54/36/562925436.db2.gz XZRMCMVVOPNGTB-UHFFFAOYSA-N 0 0 426.472 5.788 50 0 aggregator IKAARN COc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002081412 562925673 /nfs/dbraw/zinc/92/56/73/562925673.db2.gz IODUMZAJXLGNOK-UHFFFAOYSA-N 0 0 434.586 5.627 50 0 IKAARN C[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000002062341 562925708 /nfs/dbraw/zinc/92/57/08/562925708.db2.gz QNSIWIBYBQXTLA-HNNXBMFYSA-N 0 0 438.980 5.960 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc(-c4ccc(Cl)cc4Cl)cs3)c(=O)oc2c1 ZINC000002200990 562926221 /nfs/dbraw/zinc/92/62/21/562926221.db2.gz MFCPKKFTFOFRRN-UHFFFAOYSA-N 0 0 445.371 6.737 50 0 IKAARN COc1ccc([C@@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000002274850 562926704 /nfs/dbraw/zinc/92/67/04/562926704.db2.gz ASUMFZVKBIBPGG-SANMLTNESA-N 0 0 445.455 7.157 50 0 IKAARN CCOC(=O)c1c2nc3ccccc3nc2n(C2CCCCC2)c1NC(=O)c1ccco1 ZINC000002277549 562926780 /nfs/dbraw/zinc/92/67/80/562926780.db2.gz OGNMPGBLOQERST-UHFFFAOYSA-N 0 0 432.480 5.112 50 0 IKAARN CC(C)(C)c1cc(C2=NO[C@@H](c3ccccc3)N2c2ccccc2)cc(C(C)(C)C)c1O ZINC000002294888 562926787 /nfs/dbraw/zinc/92/67/87/562926787.db2.gz ZDICBPCJPFAEAQ-SANMLTNESA-N 0 0 428.576 6.884 50 0 IKAARN CCOP(=O)(OCC)[C@@H](NC(=O)c1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002323139 562926933 /nfs/dbraw/zinc/92/69/33/562926933.db2.gz ASVZHKGQNHXEDR-MRXNPFEDSA-N 0 0 438.675 5.532 50 0 IKAARN O=C(Nc1nnc(CSCc2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1 ZINC000002327744 562927015 /nfs/dbraw/zinc/92/70/15/562927015.db2.gz OKSUJSAEMWDEPX-UHFFFAOYSA-N 0 0 425.366 5.922 50 0 IKAARN NC1=C(c2nc(-c3ccccc3)cs2)[C@@H](c2ccco2)c2c(=O)oc3ccccc3c2O1 ZINC000002371860 562927174 /nfs/dbraw/zinc/92/71/74/562927174.db2.gz AYMVFKCJJBANOF-IBGZPJMESA-N 0 0 440.480 5.361 50 0 IKAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl ZINC000002370999 562927176 /nfs/dbraw/zinc/92/71/76/562927176.db2.gz TVDPOCVINOIXSD-DCFHFQCYSA-N 0 0 430.312 5.717 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002456699 562927886 /nfs/dbraw/zinc/92/78/86/562927886.db2.gz KLBXUYOSQXCTQR-OAQYLSRUSA-N 0 0 428.385 5.028 50 0 IKAARN CC(C)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002461117 562928106 /nfs/dbraw/zinc/92/81/06/562928106.db2.gz DHWXHJIQYNHOCT-UHFFFAOYSA-N 0 0 442.356 5.278 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000002616826 562928327 /nfs/dbraw/zinc/92/83/27/562928327.db2.gz IIWNGLGBKYAGTD-INIZCTEOSA-N 0 0 449.359 5.927 50 0 aggregator IKAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C ZINC000002626161 562928663 /nfs/dbraw/zinc/92/86/63/562928663.db2.gz USSUECRVHBFCJW-CYBMUJFWSA-N 0 0 434.562 5.022 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2S[C@@H](C)c2ccccc2)cc1 ZINC000002721738 562929957 /nfs/dbraw/zinc/92/99/57/562929957.db2.gz KVSFYHPIHNXQJP-INIZCTEOSA-N 0 0 441.599 6.398 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000002724278 562929987 /nfs/dbraw/zinc/92/99/87/562929987.db2.gz RAGOEYNQLPSOPO-VWLOTQADSA-N 0 0 432.495 5.105 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccccc1C ZINC000002722453 562930024 /nfs/dbraw/zinc/93/00/24/562930024.db2.gz HNIVZYLTEQGTML-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN O=C(Nc1ccc(Cl)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1 ZINC000002746531 562930076 /nfs/dbraw/zinc/93/00/76/562930076.db2.gz IVCNKRXNAIYUKI-UHFFFAOYSA-N 0 0 435.707 5.599 50 0 aggregator IKAARN Clc1ccc(CNc2nc(SCc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002933046 562930731 /nfs/dbraw/zinc/93/07/31/562930731.db2.gz VMKKCQFZCNQHLB-UHFFFAOYSA-N 0 0 426.372 6.841 50 0 IKAARN Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1CCCOC(C)C ZINC000002961975 562931259 /nfs/dbraw/zinc/93/12/59/562931259.db2.gz OQGQDQHSYZOBAX-UHFFFAOYSA-N 0 0 438.618 6.027 50 0 IKAARN CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000002974694 562931433 /nfs/dbraw/zinc/93/14/33/562931433.db2.gz MDXPCSAWPUSIEG-UHFFFAOYSA-N 0 0 436.515 6.238 50 0 IKAARN COc1ccccc1CNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000003010158 562931707 /nfs/dbraw/zinc/93/17/07/562931707.db2.gz CYPHWDFWBJZORP-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000003039946 562932029 /nfs/dbraw/zinc/93/20/29/562932029.db2.gz WTFOQNNCAHVNJT-QHCPKHFHSA-N 0 0 444.987 6.847 50 0 IKAARN O=c1c(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cccn1Cc1ccccc1 ZINC000003041827 562932093 /nfs/dbraw/zinc/93/20/93/562932093.db2.gz ZHQDWRKFEYOOCM-UHFFFAOYSA-N 0 0 444.343 5.546 50 0 IKAARN O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003040807 562932112 /nfs/dbraw/zinc/93/21/12/562932112.db2.gz WMUVNKZXMQMYRD-UHFFFAOYSA-N 0 0 440.524 5.521 50 0 aggregator IKAARN Cc1ccc(NC(=O)CSc2ncccc2C(=O)Oc2ccccc2Cl)cc1Cl ZINC000003048943 562932239 /nfs/dbraw/zinc/93/22/39/562932239.db2.gz CGFDEQURXCPQLD-UHFFFAOYSA-N 0 0 447.343 5.647 50 0 aggregator IKAARN Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12 ZINC000003063648 562932376 /nfs/dbraw/zinc/93/23/76/562932376.db2.gz IKZFMOOVTIQLDS-UHFFFAOYSA-N 0 0 425.250 6.183 50 0 IKAARN Cc1c(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000003241629 562933242 /nfs/dbraw/zinc/93/32/42/562933242.db2.gz YWJWTVDHQNONIC-UHFFFAOYSA-N 0 0 448.526 5.260 50 0 IKAARN CC(C)c1ccc(Nc2nnc(SCC(=O)c3nnc(-c4ccccc4)o3)s2)cc1 ZINC000003258792 562933487 /nfs/dbraw/zinc/93/34/87/562933487.db2.gz VFDYUGURZMDABK-UHFFFAOYSA-N 0 0 437.550 5.430 50 0 IKAARN Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c1Cl ZINC000003297495 562933888 /nfs/dbraw/zinc/93/38/88/562933888.db2.gz BMMMXBPKEOCQFJ-UHFFFAOYSA-N 0 0 443.286 5.321 50 0 aggregator IKAARN FC(F)(F)c1cnc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(Cl)c1 ZINC000003339006 562934451 /nfs/dbraw/zinc/93/44/51/562934451.db2.gz ZLNBTOKSNFPADP-LLVKDONJSA-N 0 0 446.907 5.404 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000003348903 562934588 /nfs/dbraw/zinc/93/45/88/562934588.db2.gz BWEJXHTYTJOPNA-MRXNPFEDSA-N 0 0 434.492 5.149 50 0 IKAARN Cc1nnc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)s1 ZINC000003370938 562934989 /nfs/dbraw/zinc/93/49/89/562934989.db2.gz IKASRKNPWXWIAR-UHFFFAOYSA-N 0 0 449.605 5.355 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1cn(CC)c3ccccc13)CCC2 ZINC000003581920 562936516 /nfs/dbraw/zinc/93/65/16/562936516.db2.gz YDFNCFOSBYVSPV-UHFFFAOYSA-N 0 0 428.579 5.119 50 0 aggregator IKAARN CCOC(=O)C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1Cl ZINC000003627107 562936884 /nfs/dbraw/zinc/93/68/84/562936884.db2.gz RTIXXYXLOMWVMS-FQEVSTJZSA-N 0 0 435.907 5.388 50 0 IKAARN O=C(OCc1ccccc1Cl)c1ccc(-c2nnn(Cc3ccccc3Cl)n2)cc1 ZINC000003626661 562936887 /nfs/dbraw/zinc/93/68/87/562936887.db2.gz JQBBYPJVIBSJAH-UHFFFAOYSA-N 0 0 439.302 5.052 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)c1 ZINC000003655600 562937429 /nfs/dbraw/zinc/93/74/29/562937429.db2.gz APAPJVKWGLEQTE-UHFFFAOYSA-N 0 0 427.500 6.113 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000003655539 562937435 /nfs/dbraw/zinc/93/74/35/562937435.db2.gz SRIBCERYDFTJJU-INIZCTEOSA-N 0 0 433.891 6.032 50 0 IKAARN CC(C)c1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000003655615 562937451 /nfs/dbraw/zinc/93/74/51/562937451.db2.gz FSAVMXYOWKXNHA-UHFFFAOYSA-N 0 0 431.463 5.944 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000003655510 562937463 /nfs/dbraw/zinc/93/74/63/562937463.db2.gz UFAFHAYDSIJTEO-UHFFFAOYSA-N 0 0 433.891 5.952 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 ZINC000004003947 562940710 /nfs/dbraw/zinc/94/07/10/562940710.db2.gz JIOKYSCECFYDKL-UHFFFAOYSA-N 0 0 443.894 5.574 50 0 IKAARN CC(=O)OC1=CC2=CC[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 ZINC000004082183 562941602 /nfs/dbraw/zinc/94/16/02/562941602.db2.gz DGCXQKBLGRZRTK-RQZMLCOOSA-N 0 0 426.685 8.085 50 0 biogenic IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000004090510 562941664 /nfs/dbraw/zinc/94/16/64/562941664.db2.gz AMXVHIHBOMEEEJ-UHFFFAOYSA-N 0 0 431.561 5.363 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4cccs4)c3C)o2)cc1 ZINC000004144070 562942289 /nfs/dbraw/zinc/94/22/89/562942289.db2.gz JGRUTEFDDMITEO-UHFFFAOYSA-N 0 0 439.562 5.248 50 0 IKAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)cc1 ZINC000004673079 562943496 /nfs/dbraw/zinc/94/34/96/562943496.db2.gz BGLNNYUZJHIGGC-VWLOTQADSA-N 0 0 426.601 5.243 50 0 IKAARN Brc1ccc(Cn2c3ccccc3nc2-c2ccc(Br)cc2)cc1 ZINC000006446963 562946778 /nfs/dbraw/zinc/94/67/78/562946778.db2.gz KAHUMZJCUKCYOY-UHFFFAOYSA-N 0 0 442.154 6.277 50 0 IKAARN Cc1nn2c(nc(C)c(CCC(=O)N[C@H](C)CCc3ccco3)c2C)c1-c1ccc(F)cc1 ZINC000006577385 562947620 /nfs/dbraw/zinc/94/76/20/562947620.db2.gz UTURPAUEBUIDJO-MRXNPFEDSA-N 0 0 448.542 5.124 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 ZINC000006753163 562948328 /nfs/dbraw/zinc/94/83/28/562948328.db2.gz ITMTXGTWRIXYPF-OAQYLSRUSA-N 0 0 431.580 5.926 50 0 IKAARN Cc1cccc(C)c1OCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006752558 562948329 /nfs/dbraw/zinc/94/83/29/562948329.db2.gz XCPYTHKADSYQLH-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 aggregator IKAARN Cc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006901241 562948517 /nfs/dbraw/zinc/94/85/17/562948517.db2.gz MKHQHWHMTZQTMA-OAQYLSRUSA-N 0 0 426.560 5.898 50 0 IKAARN CCOc1ccc(-n2c(/C=C/c3cccc(F)c3)nc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000008583131 562949668 /nfs/dbraw/zinc/94/96/68/562949668.db2.gz WTTJTROZAZCAEX-MDWZMJQESA-N 0 0 446.478 5.111 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)Nc2ccc(C(C)C)cc2)c1C ZINC000008583672 562949804 /nfs/dbraw/zinc/94/98/04/562949804.db2.gz UEOXIUXQBRDLJU-UHFFFAOYSA-N 0 0 432.564 6.183 50 0 IKAARN Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 ZINC000008583800 562949875 /nfs/dbraw/zinc/94/98/75/562949875.db2.gz QIJUNEMMRMTMMU-UHFFFAOYSA-N 0 0 435.593 5.083 50 0 IKAARN COc1ccc(NC(=O)c2cc3c(s2)c2ccc(Cl)cc2n(C)c3=O)cc1Cl ZINC000008586029 562950072 /nfs/dbraw/zinc/95/00/72/562950072.db2.gz IGYYIIRQPWUPCB-UHFFFAOYSA-N 0 0 433.316 5.321 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2C)CC1=O ZINC000008587097 562950196 /nfs/dbraw/zinc/95/01/96/562950196.db2.gz LPMICCDJBKPSOG-QFIPXVFZSA-N 0 0 433.596 5.628 50 0 IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2c(C)cccc2C)CC1=O ZINC000008587098 562950210 /nfs/dbraw/zinc/95/02/10/562950210.db2.gz QTRZYTXEQSLQDS-JOCHJYFZSA-N 0 0 433.596 5.628 50 0 IKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cc(C)ccc2C)CC1=O ZINC000008587119 562950221 /nfs/dbraw/zinc/95/02/21/562950221.db2.gz GRTRYBYFCXENDA-QFIPXVFZSA-N 0 0 433.596 5.628 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C(C)=O)c3)nn2-c2ccccc2Cl)cc1 ZINC000008587086 562950229 /nfs/dbraw/zinc/95/02/29/562950229.db2.gz VBDMDVRRWSVYGX-UHFFFAOYSA-N 0 0 446.894 5.051 50 0 aggregator IKAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)C1 ZINC000008587620 562950316 /nfs/dbraw/zinc/95/03/16/562950316.db2.gz GNHLIMRKAOEJFL-OAHLLOKOSA-N 0 0 442.968 5.388 50 0 IKAARN C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1c2c(sc1-n1cccc1)CCCC2 ZINC000008587623 562950319 /nfs/dbraw/zinc/95/03/19/562950319.db2.gz BRGYHPWHWJOEMC-CYBMUJFWSA-N 0 0 434.392 6.607 50 0 IKAARN CCN1c2cc(NC(=O)Nc3ccc(C(C)=O)cc3)ccc2Sc2ccccc2C1=O ZINC000008587590 562950330 /nfs/dbraw/zinc/95/03/30/562950330.db2.gz LISKBAYGSGMMAU-UHFFFAOYSA-N 0 0 431.517 5.665 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000008587587 562950336 /nfs/dbraw/zinc/95/03/36/562950336.db2.gz WHNZRIZGJUPDFF-UHFFFAOYSA-N 0 0 441.918 5.688 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 ZINC000008587586 562950358 /nfs/dbraw/zinc/95/03/58/562950358.db2.gz SYUMWXKSDFJGMW-UHFFFAOYSA-N 0 0 447.560 5.537 50 0 IKAARN CCOc1ccc(Nc2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)cc1 ZINC000008587731 562950376 /nfs/dbraw/zinc/95/03/76/562950376.db2.gz MMGJDEUFXHYNOR-UHFFFAOYSA-N 0 0 429.907 6.499 50 0 IKAARN COc1ccc2c(c1)[nH]c(C(=O)NCCc1ccc(Cl)cc1)c2Sc1ccccc1 ZINC000008587635 562950397 /nfs/dbraw/zinc/95/03/97/562950397.db2.gz BTTUXBWIDGJTDW-UHFFFAOYSA-N 0 0 436.964 5.954 50 0 IKAARN Cc1nn(CCCC(=O)Nc2cccc(Cl)c2C)c(=O)c2c3ccccc3sc21 ZINC000008587819 562950461 /nfs/dbraw/zinc/95/04/61/562950461.db2.gz NNUXYIUWNGWXHM-UHFFFAOYSA-N 0 0 425.941 5.300 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000008587762 562950471 /nfs/dbraw/zinc/95/04/71/562950471.db2.gz PLSLQDNJHXYOGA-QGZVFWFLSA-N 0 0 425.941 5.471 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(-c4cc5cc(Cl)ccc5oc4=O)[nH]c(=O)c32)C1 ZINC000008588368 562950654 /nfs/dbraw/zinc/95/06/54/562950654.db2.gz GZDXYGUNKACNPQ-LBPRGKRZSA-N 0 0 440.952 5.562 50 0 IKAARN CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1cccc(Cl)c1 ZINC000008588619 562950723 /nfs/dbraw/zinc/95/07/23/562950723.db2.gz MHUYQBVROZFLMS-UHFFFAOYSA-N 0 0 432.907 5.319 50 0 IKAARN Cc1c(C(=O)NCc2cccc(C)c2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000008588599 562950726 /nfs/dbraw/zinc/95/07/26/562950726.db2.gz BINIFMBYRSJNMO-UHFFFAOYSA-N 0 0 445.950 5.490 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)N[C@H]5CCCc6ccccc65)cc4sc3n2)cc1 ZINC000008588616 562950732 /nfs/dbraw/zinc/95/07/32/562950732.db2.gz IFYIOCKACUFHCS-QFIPXVFZSA-N 0 0 437.568 6.332 50 0 IKAARN Cc1c(C(=O)NCc2cccc(C)c2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000008588556 562950770 /nfs/dbraw/zinc/95/07/70/562950770.db2.gz QOUCHLOPQFUTJI-UHFFFAOYSA-N 0 0 445.950 5.490 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NC[C@H](C)c5ccccc5)cc4sc3n2)cc1 ZINC000008588698 562950804 /nfs/dbraw/zinc/95/08/04/562950804.db2.gz AHBQBJDZIUTQGG-KRWDZBQOSA-N 0 0 441.556 5.758 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)NCCC5=CCCCC5)cc4sc3n2)c(C)c1 ZINC000008588664 562950809 /nfs/dbraw/zinc/95/08/09/562950809.db2.gz HXQHEHNNFLOAQY-UHFFFAOYSA-N 0 0 429.589 6.453 50 0 aggregator IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NC[C@@H](C)c5ccccc5)cc4sc3n2)cc1 ZINC000008588722 562950811 /nfs/dbraw/zinc/95/08/11/562950811.db2.gz MEGNFYPLCGSDHZ-GOSISDBHSA-N 0 0 439.584 6.312 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccc5OC)cc4sc3n2)cc1 ZINC000008588695 562950820 /nfs/dbraw/zinc/95/08/20/562950820.db2.gz GWXWTXZJEFTRME-UHFFFAOYSA-N 0 0 443.528 5.163 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)Nc5cccc(SC)c5)cc4sc3n2)cc1 ZINC000008588694 562950828 /nfs/dbraw/zinc/95/08/28/562950828.db2.gz NEPRPPXVOMQHNT-UHFFFAOYSA-N 0 0 445.569 6.199 50 0 IKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588808 562950860 /nfs/dbraw/zinc/95/08/60/562950860.db2.gz FCIIAULHPXUYJM-UHFFFAOYSA-N 0 0 431.492 5.294 50 0 IKAARN CCc1nnc(S[C@H](CC)C(=O)Nc2ccc(OC)c(Cl)c2)c2cc3occc3n21 ZINC000008588933 562950948 /nfs/dbraw/zinc/95/09/48/562950948.db2.gz YADXNCJQURFLJW-GOSISDBHSA-N 0 0 444.944 5.209 50 0 IKAARN COc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2OC)CCCC4)cc1 ZINC000008589102 562951076 /nfs/dbraw/zinc/95/10/76/562951076.db2.gz ILTNAIBJXGIQMD-DEOSSOPVSA-N 0 0 448.588 5.824 50 0 aggregator IKAARN C[C@H](CNC(=O)CCc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000008589138 562951083 /nfs/dbraw/zinc/95/10/83/562951083.db2.gz SPNBINHUUNSMQB-HXUWFJFHSA-N 0 0 430.979 6.196 50 0 IKAARN Cc1ccccc1CSc1nc(-c2ccccc2)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000008589125 562951107 /nfs/dbraw/zinc/95/11/07/562951107.db2.gz NKHWYUCQYALRFF-UHFFFAOYSA-N 0 0 441.556 5.637 50 0 IKAARN CCc1ccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)cc1 ZINC000008589311 562951133 /nfs/dbraw/zinc/95/11/33/562951133.db2.gz UFJWJIIBUJUFFA-UHFFFAOYSA-N 0 0 446.601 5.869 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000008589251 562951137 /nfs/dbraw/zinc/95/11/37/562951137.db2.gz FSBCXFMYUBCSAT-SSEXGKCCSA-N 0 0 445.968 5.099 50 0 IKAARN CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008590326 562951638 /nfs/dbraw/zinc/95/16/38/562951638.db2.gz PFFQAPCPNOECKV-OAQYLSRUSA-N 0 0 430.529 5.487 50 0 IKAARN CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008590328 562951641 /nfs/dbraw/zinc/95/16/41/562951641.db2.gz PFFQAPCPNOECKV-NRFANRHFSA-N 0 0 430.529 5.487 50 0 IKAARN COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 ZINC000008590781 562951857 /nfs/dbraw/zinc/95/18/57/562951857.db2.gz APAQXYLMLQVBGT-UHFFFAOYSA-N 0 0 427.504 5.962 50 0 IKAARN CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3F)o2)cc1 ZINC000008590785 562951905 /nfs/dbraw/zinc/95/19/05/562951905.db2.gz CLWHBLVODGMCAV-UHFFFAOYSA-N 0 0 433.458 6.232 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)cc1 ZINC000008591186 562952021 /nfs/dbraw/zinc/95/20/21/562952021.db2.gz RJBSLIMQLKWKTO-UHFFFAOYSA-N 0 0 431.923 6.266 50 0 IKAARN O=S(=O)(c1nc(-c2cccs2)oc1SCc1ccccc1F)c1ccccc1 ZINC000008591746 562952130 /nfs/dbraw/zinc/95/21/30/562952130.db2.gz SYCDATNDNQNUAJ-UHFFFAOYSA-N 0 0 431.535 5.667 50 0 IKAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(Cl)c3)c2=O)CCC4)cc1C ZINC000008591859 562952132 /nfs/dbraw/zinc/95/21/32/562952132.db2.gz ORHBRFMPQSOFSJ-UHFFFAOYSA-N 0 0 436.964 5.021 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c(C)c1 ZINC000008591929 562952150 /nfs/dbraw/zinc/95/21/50/562952150.db2.gz JPORPHTYGMSVRX-UHFFFAOYSA-N 0 0 445.542 5.517 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2Cl)c(=O)n1Cc1ccccc1 ZINC000008592717 562952394 /nfs/dbraw/zinc/95/23/94/562952394.db2.gz NOMQCUBVWBUAOW-UHFFFAOYSA-N 0 0 432.932 5.128 50 0 IKAARN Cc1ccc(-c2nc(-c3cc4cccc(OCc5cccc(F)c5)c4oc3=O)no2)cc1 ZINC000008592652 562952409 /nfs/dbraw/zinc/95/24/09/562952409.db2.gz UFMOCPJQVTVVHJ-UHFFFAOYSA-N 0 0 428.419 5.537 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1 ZINC000008593089 562952547 /nfs/dbraw/zinc/95/25/47/562952547.db2.gz VPMACHNUSJWIQT-UHFFFAOYSA-N 0 0 436.920 6.046 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3cccs3)c2C(=O)[O-])cc1 ZINC000008593602 562952751 /nfs/dbraw/zinc/95/27/51/562952751.db2.gz BJDQPIQILUTRFY-UHFFFAOYSA-N 0 0 434.561 5.099 50 0 IKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1Cl ZINC000008594466 562953004 /nfs/dbraw/zinc/95/30/04/562953004.db2.gz KSFBBHZWFNSIFH-FQEVSTJZSA-N 0 0 444.293 6.393 50 0 aggregator IKAARN Cc1cccc(Nc2ncc(NC(=O)c3cccc(F)c3)c(Nc3cccc(C)c3)n2)c1 ZINC000008594602 562953030 /nfs/dbraw/zinc/95/30/30/562953030.db2.gz QKFJKBRSUBYXSD-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 aggregator IKAARN Cc1ccc(Nc2nc(C)c(NC(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000008594529 562953101 /nfs/dbraw/zinc/95/31/01/562953101.db2.gz SDOJWIFAHKEZJL-UHFFFAOYSA-N 0 0 437.547 6.450 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N=C(C)c2ccccc2S3)cc1OC ZINC000008595012 562953131 /nfs/dbraw/zinc/95/31/31/562953131.db2.gz XIDWJCMEKYVCPA-UHFFFAOYSA-N 0 0 432.545 5.282 50 0 biogenic IKAARN CCCC1=Nc2cc(C(=O)N3CCC(C(=O)OCC)CC3)ccc2Sc2ccccc21 ZINC000008595054 562953262 /nfs/dbraw/zinc/95/32/62/562953262.db2.gz IQTCJJCEZZOMIX-UHFFFAOYSA-N 0 0 436.577 5.487 50 0 IKAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008595431 562953458 /nfs/dbraw/zinc/95/34/58/562953458.db2.gz IKJZPZSLIGICJC-QFIPXVFZSA-N 0 0 447.491 5.204 50 0 aggregator IKAARN CCOc1ccc(CCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)cc1OCC ZINC000008596928 562953929 /nfs/dbraw/zinc/95/39/29/562953929.db2.gz RCUINHRSYQUHHC-UHFFFAOYSA-N 0 0 448.588 5.526 50 0 IKAARN CCN(CC)c1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(F)c2)c(C)c1 ZINC000008598254 562954273 /nfs/dbraw/zinc/95/42/73/562954273.db2.gz QUPWPAWGXUWNHW-UHFFFAOYSA-N 0 0 445.542 5.583 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)Nc3ccc(Br)c(C)c3)c12 ZINC000008598541 562954301 /nfs/dbraw/zinc/95/43/01/562954301.db2.gz KFSMUUDGRGHZBL-UHFFFAOYSA-N 0 0 449.352 5.669 50 0 IKAARN Cc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(C(C)C)cc4)no3)CC2)c(Cl)c1 ZINC000008598501 562954332 /nfs/dbraw/zinc/95/43/32/562954332.db2.gz GVCMPCROMODWEZ-UHFFFAOYSA-N 0 0 438.959 5.677 50 0 IKAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000008598672 562954373 /nfs/dbraw/zinc/95/43/73/562954373.db2.gz QKSQXATYJWOLGV-UHFFFAOYSA-N 0 0 439.947 5.214 50 0 IKAARN CCOc1ccc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000008598663 562954389 /nfs/dbraw/zinc/95/43/89/562954389.db2.gz UOWMOUWWPPFSAN-UHFFFAOYSA-N 0 0 428.536 5.292 50 0 IKAARN O=C(Nc1cc(-c2ccccc2F)nn1-c1ccccc1)c1ccccc1Br ZINC000008598972 562954519 /nfs/dbraw/zinc/95/45/19/562954519.db2.gz VZVNLQRUYVLTBF-UHFFFAOYSA-N 0 0 436.284 5.693 50 0 IKAARN COc1ccccc1-c1cc(NC(=O)COc2ccccc2Cl)n(-c2ccccc2)n1 ZINC000008599074 562954582 /nfs/dbraw/zinc/95/45/82/562954582.db2.gz HSNVVVKBZLAYAE-UHFFFAOYSA-N 0 0 433.895 5.219 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc(NC(=O)c3nsc4ccccc43)cc2)cc1 ZINC000008599333 562954650 /nfs/dbraw/zinc/95/46/50/562954650.db2.gz YXLBAJZYPIBCNA-UHFFFAOYSA-N 0 0 433.558 5.201 50 0 aggregator IKAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)c(Cl)c1 ZINC000008599800 562954904 /nfs/dbraw/zinc/95/49/04/562954904.db2.gz UPRRZFHKIZCIKI-UHFFFAOYSA-N 0 0 429.973 5.361 50 0 IKAARN Cc1cc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)ccc1Br ZINC000008599910 562954931 /nfs/dbraw/zinc/95/49/31/562954931.db2.gz VKVUUJJCWITADP-UHFFFAOYSA-N 0 0 435.325 5.063 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSCc2ccc(F)cc2)cc1 ZINC000008599940 562954933 /nfs/dbraw/zinc/95/49/33/562954933.db2.gz FTEJBKCWQOTSRK-MHZLTWQESA-N 0 0 444.575 6.023 50 0 aggregator IKAARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc(Br)ccc1Cl ZINC000008601110 562955192 /nfs/dbraw/zinc/95/51/92/562955192.db2.gz WBYPDUXOVDOCJB-UHFFFAOYSA-N 0 0 427.689 5.065 50 0 IKAARN O=C(c1ccc(Br)s1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000008601616 562955472 /nfs/dbraw/zinc/95/54/72/562955472.db2.gz USOPFPJQJQAFNS-UHFFFAOYSA-N 0 0 448.342 5.501 50 0 IKAARN Cc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)NCCc4ccccc4)c32)cc1 ZINC000008602190 562955817 /nfs/dbraw/zinc/95/58/17/562955817.db2.gz JIWSLVOHFLTODE-UHFFFAOYSA-N 0 0 446.554 5.881 50 0 IKAARN Cc1cccc(CNC(=O)c2ccc(N3Cc4ccccc4Oc4ncccc43)s2)c1 ZINC000008602783 562955884 /nfs/dbraw/zinc/95/58/84/562955884.db2.gz HGSOOOQZGMXSRA-UHFFFAOYSA-N 0 0 427.529 5.826 50 0 aggregator IKAARN COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1 ZINC000008602840 562955887 /nfs/dbraw/zinc/95/58/87/562955887.db2.gz WRESKQCBLAYTKD-UHFFFAOYSA-N 0 0 442.559 5.296 50 0 aggregator,biogenic IKAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccc(C(C)C)cc1 ZINC000008603043 562955894 /nfs/dbraw/zinc/95/58/94/562955894.db2.gz QCOPXZRTYTWBGO-UHFFFAOYSA-N 0 0 438.944 5.123 50 0 aggregator IKAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)cc1 ZINC000008603057 562955946 /nfs/dbraw/zinc/95/59/46/562955946.db2.gz RFARABHREAFYGO-UHFFFAOYSA-N 0 0 446.978 6.289 50 0 IKAARN CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000008603110 562955969 /nfs/dbraw/zinc/95/59/69/562955969.db2.gz TYICNWZIHUKHRU-JOCHJYFZSA-N 0 0 427.504 5.762 50 0 IKAARN Cc1ccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1Cl ZINC000008603361 562956028 /nfs/dbraw/zinc/95/60/28/562956028.db2.gz NAUWSYPQBKZNOI-UHFFFAOYSA-N 0 0 447.966 6.204 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000008603307 562956031 /nfs/dbraw/zinc/95/60/31/562956031.db2.gz BBQHBEFOCFRJGU-UHFFFAOYSA-N 0 0 447.966 6.204 50 0 IKAARN COc1ccc(C)cc1N(C)C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603717 562956081 /nfs/dbraw/zinc/95/60/81/562956081.db2.gz XSZPBMBEEKIHJS-UHFFFAOYSA-N 0 0 443.547 5.117 50 0 IKAARN Cc1cn2c(nc(COc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2=O)s1 ZINC000008603825 562956130 /nfs/dbraw/zinc/95/61/30/562956130.db2.gz BFQDZOQPYQKAPS-UHFFFAOYSA-N 0 0 447.560 5.193 50 0 IKAARN Cc1ccc(C)c(Cn2c3c4ccccc4sc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000008603883 562956173 /nfs/dbraw/zinc/95/61/73/562956173.db2.gz XEOBUAODVXPTED-UHFFFAOYSA-N 0 0 426.541 5.091 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(C)cc(C)c2)c(OC)c1 ZINC000008603964 562956254 /nfs/dbraw/zinc/95/62/54/562956254.db2.gz WETXHOSECBBYIF-UHFFFAOYSA-N 0 0 444.487 5.571 50 0 IKAARN CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccccc32)cc1 ZINC000008605082 562956558 /nfs/dbraw/zinc/95/65/58/562956558.db2.gz JNLRZHYSGBUYLM-UHFFFAOYSA-N 0 0 429.541 5.478 50 0 IKAARN CCOc1ccc(Nc2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008605049 562956584 /nfs/dbraw/zinc/95/65/84/562956584.db2.gz YINGJTKOPVDVFF-UHFFFAOYSA-N 0 0 436.508 5.657 50 0 IKAARN CCc1ccc(-c2nn(CC(=O)NCc3ccccc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000008605965 562956910 /nfs/dbraw/zinc/95/69/10/562956910.db2.gz SNQQPZPUPZGMEN-UHFFFAOYSA-N 0 0 438.506 5.269 50 0 IKAARN CCOc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(C)cc32)cc1 ZINC000008605941 562956930 /nfs/dbraw/zinc/95/69/30/562956930.db2.gz KKKNMOUHIFWUKP-UHFFFAOYSA-N 0 0 442.563 5.408 50 0 IKAARN CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000008606567 562956983 /nfs/dbraw/zinc/95/69/83/562956983.db2.gz REEOCKKOJRYJIB-AREMUKBSSA-N 0 0 439.515 5.317 50 0 aggregator IKAARN Cc1oc(-c2ccccc2F)nc1Cn1c2cnccc2nc1SCc1ccccc1F ZINC000008606405 562956996 /nfs/dbraw/zinc/95/69/96/562956996.db2.gz PLESVKDSBCRTLG-UHFFFAOYSA-N 0 0 448.498 6.014 50 0 IKAARN CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 ZINC000008606551 562957013 /nfs/dbraw/zinc/95/70/13/562957013.db2.gz FMQMWWPLMSZSDC-HHHXNRCGSA-N 0 0 437.543 5.694 50 0 IKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2CC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000008606400 562957018 /nfs/dbraw/zinc/95/70/18/562957018.db2.gz XFCAHEHSUGTJRA-UHFFFAOYSA-N 0 0 445.592 5.045 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 ZINC000008606587 562957098 /nfs/dbraw/zinc/95/70/98/562957098.db2.gz QBNWDDQITPJKSE-IBGZPJMESA-N 0 0 429.495 5.143 50 0 IKAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 ZINC000008606712 562957119 /nfs/dbraw/zinc/95/71/19/562957119.db2.gz ANTXJKXXWZYQQK-UHFFFAOYSA-N 0 0 448.611 5.491 50 0 IKAARN CSc1ccc(CNC(=O)c2sc3ncnc(N(C)C4CCCCC4)c3c2C)cc1 ZINC000008607190 562957288 /nfs/dbraw/zinc/95/72/88/562957288.db2.gz QHIAWCIKCOEKSM-UHFFFAOYSA-N 0 0 440.638 5.421 50 0 IKAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1 ZINC000008608508 562957510 /nfs/dbraw/zinc/95/75/10/562957510.db2.gz AENHWKKJOUKMRL-UHFFFAOYSA-N 0 0 425.554 5.174 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2SCC(=O)N(C)Cc2ccccc2)c1 ZINC000008609106 562957610 /nfs/dbraw/zinc/95/76/10/562957610.db2.gz RBKQJLQKPODXJV-UHFFFAOYSA-N 0 0 429.589 5.452 50 0 IKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1Cl)[C@H]2c1ccc(OC)cc1 ZINC000008609105 562957617 /nfs/dbraw/zinc/95/76/17/562957617.db2.gz USGXQBIKJBCANX-QFIPXVFZSA-N 0 0 440.996 6.461 50 0 aggregator IKAARN CCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 ZINC000008609135 562957619 /nfs/dbraw/zinc/95/76/19/562957619.db2.gz AAYALEPKVZDTNR-UHFFFAOYSA-N 0 0 435.886 5.057 50 0 IKAARN CCOc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1OCC ZINC000008609327 562957799 /nfs/dbraw/zinc/95/77/99/562957799.db2.gz UHFHKFADOHWZFX-UHFFFAOYSA-N 0 0 428.529 5.028 50 0 IKAARN Cc1c(C(=O)NCc2ccccc2Br)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000008610017 562957995 /nfs/dbraw/zinc/95/79/95/562957995.db2.gz NXYCWCKUGYOTCD-UHFFFAOYSA-N 0 0 442.309 5.178 50 0 IKAARN CC(C)CCNC(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000008610386 562958079 /nfs/dbraw/zinc/95/80/79/562958079.db2.gz PKZKUPHGVGSGRH-UHFFFAOYSA-N 0 0 445.588 6.166 50 0 aggregator IKAARN COC(=O)c1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008610526 562958160 /nfs/dbraw/zinc/95/81/60/562958160.db2.gz DFFQPDHOQVVLQG-VWLOTQADSA-N 0 0 439.515 5.443 50 0 IKAARN Cc1oc(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)nc1CN1CCc2ccccc21 ZINC000008610823 562958323 /nfs/dbraw/zinc/95/83/23/562958323.db2.gz PCSOBULHAHHSIJ-UHFFFAOYSA-N 0 0 437.543 5.485 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nc1CN1CCc2ccccc21 ZINC000008610837 562958329 /nfs/dbraw/zinc/95/83/29/562958329.db2.gz BHKIKORIIGASLE-UHFFFAOYSA-N 0 0 437.543 5.451 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000008611086 562958378 /nfs/dbraw/zinc/95/83/78/562958378.db2.gz XADWUFOJBVMWSX-UHFFFAOYSA-N 0 0 444.934 5.332 50 0 IKAARN CCc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 ZINC000008611520 562958647 /nfs/dbraw/zinc/95/86/47/562958647.db2.gz TXCFPDRGOBRNIV-UHFFFAOYSA-N 0 0 431.536 6.315 50 0 aggregator IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3c2ccc(C)c3C)cc1 ZINC000008611911 562958745 /nfs/dbraw/zinc/95/87/45/562958745.db2.gz ASBKOABYRQKWKK-UHFFFAOYSA-N 0 0 437.495 6.516 50 0 IKAARN COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000008612053 562958946 /nfs/dbraw/zinc/95/89/46/562958946.db2.gz FNRLGYSZDIIQIW-UHFFFAOYSA-N 0 0 448.906 5.046 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 ZINC000008612361 562959170 /nfs/dbraw/zinc/95/91/70/562959170.db2.gz YTVSJUVLOWDMSA-UHFFFAOYSA-N 0 0 437.451 5.639 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 ZINC000008612417 562959266 /nfs/dbraw/zinc/95/92/66/562959266.db2.gz WZRQPFNRQBONKO-UHFFFAOYSA-N 0 0 447.512 5.567 50 0 IKAARN Cc1cccc(-n2c(SCc3nc(-c4ccccc4C)no3)nnc2-c2ccccc2)c1 ZINC000008612651 562959267 /nfs/dbraw/zinc/95/92/67/562959267.db2.gz MPBSPDBHHFLXRE-UHFFFAOYSA-N 0 0 439.544 5.893 50 0 IKAARN Cc1nn([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2c3ccccc3sc21 ZINC000008618973 562959726 /nfs/dbraw/zinc/95/97/26/562959726.db2.gz QYSAQAROZIUWOD-LBPRGKRZSA-N 0 0 431.439 5.138 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)c3cccc(C)c3[nH]2)cc1 ZINC000008617326 562959732 /nfs/dbraw/zinc/95/97/32/562959732.db2.gz PEVLMRSVWWDBJA-UHFFFAOYSA-N 0 0 430.529 5.390 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000008619660 562959926 /nfs/dbraw/zinc/95/99/26/562959926.db2.gz ZSNVGWJSITXRMP-UHFFFAOYSA-N 0 0 427.573 5.822 50 0 IKAARN O=C(CSc1nc2ccccc2nc1Cc1ccccc1)NCc1ccccc1Cl ZINC000008619636 562959954 /nfs/dbraw/zinc/95/99/54/562959954.db2.gz LZIYWMAQYFSHRJ-UHFFFAOYSA-N 0 0 433.964 5.283 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000008672353 562961067 /nfs/dbraw/zinc/96/10/67/562961067.db2.gz DIWXLDADNWFYOC-OAHLLOKOSA-N 0 0 440.771 5.316 50 0 IKAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OC(=O)c1ccc(C)cc1 ZINC000008673526 562961231 /nfs/dbraw/zinc/96/12/31/562961231.db2.gz LUSCZOLRGIESOU-UHFFFAOYSA-N 0 0 444.483 5.622 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCC[C@@H]3C)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000008673578 562961234 /nfs/dbraw/zinc/96/12/34/562961234.db2.gz HGAUHFNWXRZWHE-AWEZNQCLSA-N 0 0 443.016 5.513 50 0 IKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3c(C)cccc3C)s2)c(C)c1Cc1ccccc1 ZINC000008673565 562961253 /nfs/dbraw/zinc/96/12/53/562961253.db2.gz ZJSVKJDHJXYUQT-UHFFFAOYSA-N 0 0 430.577 5.714 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccco4)cc3s2)c(C)c1 ZINC000008673946 562961348 /nfs/dbraw/zinc/96/13/48/562961348.db2.gz XELWYETYTKMJMY-UHFFFAOYSA-N 0 0 437.546 5.489 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cc(Br)ccc4Cl)ccc3o2)cc1 ZINC000008682293 562961712 /nfs/dbraw/zinc/96/17/12/562961712.db2.gz DTIWCVQHKOGZEB-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN COc1ccc([C@@H]2c3c4nc(-c5ccco5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000008682634 562961765 /nfs/dbraw/zinc/96/17/65/562961765.db2.gz MUPBTELOTRVYLW-QFIPXVFZSA-N 0 0 446.466 5.832 50 0 aggregator IKAARN COc1ccc([C@H]2c3c4nc(-c5ccco5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000008682633 562961790 /nfs/dbraw/zinc/96/17/90/562961790.db2.gz MUPBTELOTRVYLW-JOCHJYFZSA-N 0 0 446.466 5.832 50 0 aggregator IKAARN CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2ccco2)cc1 ZINC000008685206 562962372 /nfs/dbraw/zinc/96/23/72/562962372.db2.gz OPWXWFJKRMDGEA-UHFFFAOYSA-N 0 0 447.604 6.218 50 0 IKAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1c2ccccc2Oc2ccccc21 ZINC000008685251 562962376 /nfs/dbraw/zinc/96/23/76/562962376.db2.gz BYHBKQJVCFNNRU-UHFFFAOYSA-N 0 0 435.508 6.235 50 0 IKAARN CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc32)Cc2ccco2)cc1 ZINC000008685197 562962389 /nfs/dbraw/zinc/96/23/89/562962389.db2.gz TZXOIYNIEIUYLQ-UHFFFAOYSA-N 0 0 433.577 5.910 50 0 aggregator IKAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000008685420 562962466 /nfs/dbraw/zinc/96/24/66/562962466.db2.gz FXSYYMGBMPXVBO-DFPCJXSUSA-N 0 0 444.531 5.166 50 0 IKAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000008685934 562962627 /nfs/dbraw/zinc/96/26/27/562962627.db2.gz YIJPEFNZZMASKU-UHFFFAOYSA-N 0 0 429.332 5.458 50 0 IKAARN Cc1nn(-c2ccccc2)c(N)c1C(c1c(C)nn(-c2ccccc2)c1N)c1ccc(C)cc1 ZINC000008691193 562963386 /nfs/dbraw/zinc/96/33/86/562963386.db2.gz HHQHGWZZWYVUBK-UHFFFAOYSA-N 0 0 448.574 5.328 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1nnn(CCCC)n1)c1ccc(F)cc1 ZINC000008691556 562963445 /nfs/dbraw/zinc/96/34/45/562963445.db2.gz YPXGBVPOSFVDRO-IBGZPJMESA-N 0 0 441.488 5.550 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1nnn(CCCC)n1)c1ccc(F)cc1 ZINC000008691555 562963449 /nfs/dbraw/zinc/96/34/49/562963449.db2.gz YPXGBVPOSFVDRO-LJQANCHMSA-N 0 0 441.488 5.550 50 0 IKAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccs1 ZINC000008693896 562963644 /nfs/dbraw/zinc/96/36/44/562963644.db2.gz WLKIXCIDAIQLDG-UHFFFAOYSA-N 0 0 427.334 5.108 50 0 IKAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000008762538 562963898 /nfs/dbraw/zinc/96/38/98/562963898.db2.gz AOSMUGPYCRQJDB-UHFFFAOYSA-N 0 0 443.498 5.770 50 0 IKAARN O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000008781674 562964146 /nfs/dbraw/zinc/96/41/46/562964146.db2.gz WRNGRJNYRDRJHH-UHFFFAOYSA-N 0 0 439.129 6.054 50 0 IKAARN CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(OC)cc1 ZINC000008801976 562964310 /nfs/dbraw/zinc/96/43/10/562964310.db2.gz MYLLHPVLIARBIU-DTQAZKPQSA-N 0 0 442.452 5.357 50 0 IKAARN COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(F)cc3)c2cc1OC ZINC000008828532 562964577 /nfs/dbraw/zinc/96/45/77/562964577.db2.gz HIUNZPUBRHOMHJ-UHFFFAOYSA-N 0 0 431.442 5.547 50 0 IKAARN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 ZINC000008830803 562964873 /nfs/dbraw/zinc/96/48/73/562964873.db2.gz NZCILFFPYJODKJ-UHFFFAOYSA-N 0 0 441.314 6.843 50 0 IKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)c4ccc(F)cc4)cc3s2)cc1 ZINC000008830928 562964959 /nfs/dbraw/zinc/96/49/59/562964959.db2.gz DGJCTAMMCCIBMZ-UHFFFAOYSA-N 0 0 438.549 6.167 50 0 IKAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)cc1 ZINC000008860090 562965247 /nfs/dbraw/zinc/96/52/47/562965247.db2.gz XYAMIYHXMKVHPN-LJQANCHMSA-N 0 0 433.558 5.668 50 0 aggregator IKAARN CCc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(C)cc2)cc1 ZINC000008860281 562965368 /nfs/dbraw/zinc/96/53/68/562965368.db2.gz ZLRWNIOMINNLSH-UHFFFAOYSA-N 0 0 427.573 5.822 50 0 IKAARN COc1cc(C)c(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1OC ZINC000008900558 562965854 /nfs/dbraw/zinc/96/58/54/562965854.db2.gz XPQOPIQODOYDRH-UHFFFAOYSA-N 0 0 429.472 5.346 50 0 IKAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](Nc2ccccc2)c2cccnc2)cc1 ZINC000009190787 562968129 /nfs/dbraw/zinc/96/81/29/562968129.db2.gz CHXUUZWXXVSHNQ-XYFQYJLHSA-N 0 0 449.535 6.211 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1 ZINC000009404746 562970059 /nfs/dbraw/zinc/97/00/59/562970059.db2.gz MNNGLPSPTODIAI-UHFFFAOYSA-N 0 0 437.571 6.042 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(C)C)cc2)[C@H]1c1cccs1 ZINC000009433037 562970855 /nfs/dbraw/zinc/97/08/55/562970855.db2.gz AYHMXVZVCWAYDM-LOSJGSFVSA-N 0 0 446.616 6.447 50 0 IKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cl)cn2)[C@H]1c1cccs1 ZINC000009433233 562970860 /nfs/dbraw/zinc/97/08/60/562970860.db2.gz DODRHCDYHZWWQW-LEWJYISDSA-N 0 0 439.968 5.372 50 0 IKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009433498 562970939 /nfs/dbraw/zinc/97/09/39/562970939.db2.gz UXZZPAVIPKXYHQ-RPBOFIJWSA-N 0 0 444.600 6.173 50 0 IKAARN Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433622 562970985 /nfs/dbraw/zinc/97/09/85/562970985.db2.gz WFLDJSCUCODITC-RPWUZVMVSA-N 0 0 430.573 5.919 50 0 IKAARN COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)C1 ZINC000009435907 562971079 /nfs/dbraw/zinc/97/10/79/562971079.db2.gz DLAKRFSCHHTMIG-NRFANRHFSA-N 0 0 435.321 5.449 50 0 IKAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000009471840 562971786 /nfs/dbraw/zinc/97/17/86/562971786.db2.gz RVLGQIPNAZBZIZ-UHFFFAOYSA-N 0 0 426.863 5.858 50 0 IKAARN COc1ccc(-n2cc(-c3ccc(C)cc3)nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000009529388 562972978 /nfs/dbraw/zinc/97/29/78/562972978.db2.gz MXKOJZQNWLNOCW-UHFFFAOYSA-N 0 0 443.572 5.896 50 0 IKAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000009588332 562973695 /nfs/dbraw/zinc/97/36/95/562973695.db2.gz STSIZQQVNOSTJO-UHFFFAOYSA-N 0 0 434.439 5.009 50 0 IKAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N=C(CC)c2ccccc2S3)CC1 ZINC000009607862 562974004 /nfs/dbraw/zinc/97/40/04/562974004.db2.gz KJCHXRKAULUEPK-UHFFFAOYSA-N 0 0 437.565 5.033 50 0 IKAARN COc1ccccc1NC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000009609351 562974124 /nfs/dbraw/zinc/97/41/24/562974124.db2.gz OGJGONTTYUENKH-UHFFFAOYSA-N 0 0 432.499 5.041 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1n[nH]c(-c2ccccc2Br)n1 ZINC000009780853 562976836 /nfs/dbraw/zinc/97/68/36/562976836.db2.gz HQXPVWPUQLVRMT-GFCCVEGCSA-N 0 0 441.354 5.387 50 0 IKAARN COc1cc(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccc(C)c(C)c3)[nH]2)cc(OC)c1O ZINC000009779949 562976851 /nfs/dbraw/zinc/97/68/51/562976851.db2.gz DDEVHNBQFHUOLK-UHFFFAOYSA-N 0 0 428.532 6.367 50 0 IKAARN O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000009854397 562977407 /nfs/dbraw/zinc/97/74/07/562977407.db2.gz VQUBJCWQTJGWRN-UHFFFAOYSA-N 0 0 444.438 5.487 50 0 IKAARN Cc1ccc(Cl)cc1N(C)C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12 ZINC000010013259 562978211 /nfs/dbraw/zinc/97/82/11/562978211.db2.gz ISQKXWHWYRBJMR-UHFFFAOYSA-N 0 0 438.861 5.507 50 0 IKAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000010029090 562978316 /nfs/dbraw/zinc/97/83/16/562978316.db2.gz FVPQVQWYLIEOQS-JOCHJYFZSA-N 0 0 447.560 5.848 50 0 IKAARN CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000010381586 562978690 /nfs/dbraw/zinc/97/86/90/562978690.db2.gz IQUABPHPUUMVPY-VQHVLOKHSA-N 0 0 438.578 5.090 50 0 IKAARN Cc1ccc(CNc2ncnc3sc(C(=O)N4CCCC[C@@H]4c4cccnc4)c(C)c32)o1 ZINC000012128085 562980912 /nfs/dbraw/zinc/98/09/12/562980912.db2.gz CJEZZTBKYSTAFT-LJQANCHMSA-N 0 0 447.564 5.276 50 0 IKAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2)cc1OC ZINC000013004213 562983884 /nfs/dbraw/zinc/98/38/84/562983884.db2.gz ZGXYQIGRCUWYMZ-MRXNPFEDSA-N 0 0 444.453 5.334 50 0 IKAARN Cc1ccccc1Cn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000019707802 563022864 /nfs/dbraw/zinc/02/28/64/563022864.db2.gz BEKCHDAUQRKKOP-JOCHJYFZSA-N 0 0 426.347 5.319 50 0 in-vitro IKAARN Cc1cccc(N2CCN([C@H](c3nnc(-c4ccccc4)o3)c3ccc(F)cc3)CC2)c1C ZINC000020178471 563023916 /nfs/dbraw/zinc/02/39/16/563023916.db2.gz WJYADGBJCBQJIT-VWLOTQADSA-N 0 0 442.538 5.404 50 0 aggregator IKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCC[C@H]2C)cc1 ZINC000020381804 563024565 /nfs/dbraw/zinc/02/45/65/563024565.db2.gz JQWLNIKOJZUWLS-OAHLLOKOSA-N 0 0 430.957 5.108 50 0 IKAARN COc1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NO2)cc1 ZINC000027528303 563043359 /nfs/dbraw/zinc/04/33/59/563043359.db2.gz XIROHIIIMSLZKC-QFIPXVFZSA-N 0 0 430.891 5.723 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000103887265 568622308 /nfs/dbraw/zinc/62/23/08/568622308.db2.gz QHYXKGQSEWGZKF-AUSJPIAWSA-N 0 0 431.001 6.004 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1Cl ZINC000000897137 568634888 /nfs/dbraw/zinc/63/48/88/568634888.db2.gz JMLNPYXIYWKNFO-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 ZINC000000900410 568635948 /nfs/dbraw/zinc/63/59/48/568635948.db2.gz NRYVNIJBZVAFMV-UHFFFAOYSA-N 0 0 429.876 5.608 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000900903 568636015 /nfs/dbraw/zinc/63/60/15/568636015.db2.gz XTYIBOBFVYBSTO-CYBMUJFWSA-N 0 0 433.455 5.290 50 0 IKAARN COc1ccccc1NC(=O)[C@H](Cc1ccc(OC)c(OC)c1)c1nc2ccccc2s1 ZINC000000907873 568636483 /nfs/dbraw/zinc/63/64/83/568636483.db2.gz SEWQCGWQERGAGZ-KRWDZBQOSA-N 0 0 448.544 5.287 50 0 IKAARN CCCCc1ccc(NCN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000210984657 568636881 /nfs/dbraw/zinc/63/68/81/568636881.db2.gz KLTBXUZQWPIAFO-XDHOZWIPSA-N 0 0 435.376 6.442 50 0 IKAARN COc1ccc(OCc2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000000925181 568637850 /nfs/dbraw/zinc/63/78/50/568637850.db2.gz GZEIYFUSILUGMI-UHFFFAOYSA-N 0 0 445.544 5.138 50 0 IKAARN COc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000000925391 568637872 /nfs/dbraw/zinc/63/78/72/568637872.db2.gz ZHPKECIUCGMXGB-UHFFFAOYSA-N 0 0 444.560 5.171 50 0 IKAARN Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccccc2)cc1 ZINC000000925259 568637883 /nfs/dbraw/zinc/63/78/83/568637883.db2.gz GZNIIZPZPGZLFX-UHFFFAOYSA-N 0 0 447.539 5.058 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000000934501 568638692 /nfs/dbraw/zinc/63/86/92/568638692.db2.gz DDQWNBNEKIWPCO-UHFFFAOYSA-N 0 0 439.533 5.478 50 0 IKAARN Cc1ccccc1NC(=O)[C@@H](C)n1cnc2scc(-c3ccc4ccccc4c3)c2c1=O ZINC000000937709 568638931 /nfs/dbraw/zinc/63/89/31/568638931.db2.gz DWTJGFMUYLVJEW-QGZVFWFLSA-N 0 0 439.540 5.786 50 0 IKAARN COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000937242 568639037 /nfs/dbraw/zinc/63/90/37/568639037.db2.gz HIWQUHTUGDQUSV-UHFFFAOYSA-N 0 0 445.302 5.272 50 0 IKAARN Cc1ccccc1NC(=O)[C@H](C)n1cnc2scc(-c3ccc4ccccc4c3)c2c1=O ZINC000000937710 568639136 /nfs/dbraw/zinc/63/91/36/568639136.db2.gz DWTJGFMUYLVJEW-KRWDZBQOSA-N 0 0 439.540 5.786 50 0 IKAARN Cc1c(Cl)cccc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000000938224 568639263 /nfs/dbraw/zinc/63/92/63/568639263.db2.gz XPVCXOOURQYEQK-UHFFFAOYSA-N 0 0 430.118 5.387 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3C)c2)n(-c2cccc(C)c2)n1 ZINC000025143600 568639757 /nfs/dbraw/zinc/63/97/57/568639757.db2.gz KVNCVTYEUANTJE-UHFFFAOYSA-N 0 0 439.515 5.585 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1-c1ccc(F)cc1 ZINC000025143132 568639771 /nfs/dbraw/zinc/63/97/71/568639771.db2.gz XOOSFMDFSBZSIB-UHFFFAOYSA-N 0 0 444.550 6.953 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)ccc2C)c1-c1ccc(C)cc1 ZINC000025142409 568639861 /nfs/dbraw/zinc/63/98/61/568639861.db2.gz MNQOFOYLXCGHPL-UHFFFAOYSA-N 0 0 440.587 7.122 50 0 IKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1ccc(OC)cc1 ZINC000025142338 568639867 /nfs/dbraw/zinc/63/98/67/568639867.db2.gz UIGBVAKENPBMBQ-UHFFFAOYSA-N 0 0 442.559 6.514 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccs3)c2)n(-c2cccc(C)c2)n1 ZINC000025143770 568639892 /nfs/dbraw/zinc/63/98/92/568639892.db2.gz WSMDAUGBKKUZRG-UHFFFAOYSA-N 0 0 431.517 5.338 50 0 IKAARN COc1ccc(CCn2c(=O)c3cc(Cl)ccc3nc2-c2cnc3ccccc3c2)cc1 ZINC000025142727 568640141 /nfs/dbraw/zinc/64/01/41/568640141.db2.gz JXQDYOJGNXJKQC-UHFFFAOYSA-N 0 0 441.918 5.516 50 0 IKAARN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000025145543 568640422 /nfs/dbraw/zinc/64/04/22/568640422.db2.gz FIEWIJQQFJJERS-UHFFFAOYSA-N 0 0 441.552 6.029 50 0 IKAARN Brc1ccc(CSc2ncnn2Cc2ccc(Br)cc2)cc1 ZINC000000939648 568640650 /nfs/dbraw/zinc/64/06/50/568640650.db2.gz USYXCLZQGIOYBO-UHFFFAOYSA-N 0 0 439.176 5.144 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C)c3)c2)n(-c2ccc(F)cc2)n1 ZINC000025144046 568640720 /nfs/dbraw/zinc/64/07/20/568640720.db2.gz CLUHFRJJERGTKH-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccccc2C)n1 ZINC000025144633 568640822 /nfs/dbraw/zinc/64/08/22/568640822.db2.gz SCRYRKDGXOLAJH-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000025144719 568640880 /nfs/dbraw/zinc/64/08/80/568640880.db2.gz JSYXLPFTPNZCLE-UHFFFAOYSA-N 0 0 443.375 6.089 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n(-c2ccccc2F)n1 ZINC000025144914 568640891 /nfs/dbraw/zinc/64/08/91/568640891.db2.gz CMDYENXUDRCHGL-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C)c3)c2)n(-c2cccc(F)c2)n1 ZINC000025144564 568640894 /nfs/dbraw/zinc/64/08/94/568640894.db2.gz KAFDTZKUDDPQJP-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN COc1cc(-c2cc(C(=O)NCc3ccc(C)cc3)c3ccccc3n2)cc(OC)c1OC ZINC000025144650 568640945 /nfs/dbraw/zinc/64/09/45/568640945.db2.gz PEVYJHIXIKOCGM-UHFFFAOYSA-N 0 0 442.515 5.166 50 0 IKAARN O=C(Nc1ccc(-c2onc3c2CCCC3)cc1)c1csc(-c2ccc3c(c2)CCO3)n1 ZINC000025144670 568641001 /nfs/dbraw/zinc/64/10/01/568641001.db2.gz DPLMYKFPUIUCOB-UHFFFAOYSA-N 0 0 443.528 5.531 50 0 IKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(F)c3)c2)n(-c2cccc(F)c2)n1 ZINC000025145788 568641111 /nfs/dbraw/zinc/64/11/11/568641111.db2.gz LVSZWTCISRTRQM-UHFFFAOYSA-N 0 0 447.441 5.247 50 0 IKAARN CCCC[C@@H](CC)CNC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025146359 568641117 /nfs/dbraw/zinc/64/11/17/568641117.db2.gz FMOXXXVEFBMEBA-QGZVFWFLSA-N 0 0 433.581 5.490 50 0 IKAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)c4oc5ccccc5c4C)cc3)n2)cc1 ZINC000025146338 568641221 /nfs/dbraw/zinc/64/12/21/568641221.db2.gz QKMLPXQHVLTNSS-UHFFFAOYSA-N 0 0 437.499 5.737 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025148345 568641371 /nfs/dbraw/zinc/64/13/71/568641371.db2.gz CNTBWDCNQKCOJP-NRFANRHFSA-N 0 0 445.566 6.648 50 0 IKAARN O=C(Nc1nc(-c2cccs2)c(C(F)(F)F)s1)c1ccc(Br)cc1 ZINC000000945126 568643405 /nfs/dbraw/zinc/64/34/05/568643405.db2.gz RDZNTUYPDPNBFN-UHFFFAOYSA-N 0 0 433.274 5.905 50 0 IKAARN Cc1cccc(Oc2c(=O)c3ccc(OCC(=O)OC(C)C)cc3oc2C(F)(F)F)c1 ZINC000000942557 568641790 /nfs/dbraw/zinc/64/17/90/568641790.db2.gz SNCIXPKOQZZONU-UHFFFAOYSA-N 0 0 436.382 5.243 50 0 IKAARN O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccc(F)cc3)ccc12 ZINC000000942742 568641970 /nfs/dbraw/zinc/64/19/70/568641970.db2.gz BWSIMSPMBOJKER-UHFFFAOYSA-N 0 0 441.252 6.066 50 0 IKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 ZINC000086057029 568642537 /nfs/dbraw/zinc/64/25/37/568642537.db2.gz KUTPDKBSZYAXJP-LJQANCHMSA-N 0 0 449.576 5.024 50 0 IKAARN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)cc1 ZINC000025149413 568642781 /nfs/dbraw/zinc/64/27/81/568642781.db2.gz QKXYMHIHPCGXIM-UHFFFAOYSA-N 0 0 447.538 5.878 50 0 biogenic IKAARN CCOC(=O)c1c(NC(=O)c2cccs2)c(-c2cccc(F)c2)cn1Cc1ccccc1 ZINC000025149960 568642792 /nfs/dbraw/zinc/64/27/92/568642792.db2.gz UNMPTYTVKVSCSV-UHFFFAOYSA-N 0 0 448.519 5.833 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)c1 ZINC000025148886 568642808 /nfs/dbraw/zinc/64/28/08/568642808.db2.gz SOKOXJMWSIYOGJ-UHFFFAOYSA-N 0 0 433.511 5.836 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1cccc3ccccc31)CC2 ZINC000025149359 568642822 /nfs/dbraw/zinc/64/28/22/568642822.db2.gz IRBNQYSOULCMKK-MHZLTWQESA-N 0 0 441.502 5.784 50 0 IKAARN COc1ccc(Oc2coc3cc(OC(=O)c4c(C)cc(C)cc4C)ccc3c2=O)cc1 ZINC000000945045 568643264 /nfs/dbraw/zinc/64/32/64/568643264.db2.gz CQUDOMKUFJAQQQ-UHFFFAOYSA-N 0 0 430.456 5.738 50 0 biogenic IKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccc(-c3ccc(F)c(F)c3)s2)cc1 ZINC000025151651 568643285 /nfs/dbraw/zinc/64/32/85/568643285.db2.gz AUZDBSVPFWDQPD-AREMUKBSSA-N 0 0 445.534 6.790 50 0 IKAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025150471 568643389 /nfs/dbraw/zinc/64/33/89/568643389.db2.gz MFOLBIBUINEAHS-UHFFFAOYSA-N 0 0 439.465 6.105 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(I)cc1)c1cccnc1 ZINC000000945469 568643404 /nfs/dbraw/zinc/64/34/04/568643404.db2.gz BRVOVXOSVNOFFU-NRFANRHFSA-N 0 0 439.300 5.677 50 0 IKAARN CCN(Cc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000025155445 568643557 /nfs/dbraw/zinc/64/35/57/568643557.db2.gz ASEHYPSZXXTDAS-UHFFFAOYSA-N 0 0 431.539 7.116 50 0 IKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025153417 568643582 /nfs/dbraw/zinc/64/35/82/568643582.db2.gz LAPPIAUDBBASNS-HHHXNRCGSA-N 0 0 443.550 6.704 50 0 IKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc3ccccc32)cc1 ZINC000025154671 568643591 /nfs/dbraw/zinc/64/35/91/568643591.db2.gz QSAZTSGUUOPHCW-UHFFFAOYSA-N 0 0 436.511 6.141 50 0 IKAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025153101 568643596 /nfs/dbraw/zinc/64/35/96/568643596.db2.gz UYELNONNNRMSRD-UHFFFAOYSA-N 0 0 447.494 5.556 50 0 IKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3c(Cl)cccc3Cl)cc21 ZINC000000947170 568643616 /nfs/dbraw/zinc/64/36/16/568643616.db2.gz VZNWEHLKDOXDEL-UHFFFAOYSA-N 0 0 444.108 6.176 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)ccc2C)c3=O)cc1OC ZINC000000948975 568643778 /nfs/dbraw/zinc/64/37/78/568643778.db2.gz SUOMDWATTOGXKK-UHFFFAOYSA-N 0 0 446.455 5.439 50 0 biogenic IKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4cc5ccccc5s4)c3)n2)cc1 ZINC000025157497 568643863 /nfs/dbraw/zinc/64/38/63/568643863.db2.gz GCKBJCTWAISBET-UHFFFAOYSA-N 0 0 436.536 6.891 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2nc(-c3ccccc3)nc2N1 ZINC000000949710 568644347 /nfs/dbraw/zinc/64/43/47/568644347.db2.gz QXDOUZDNTAUCBB-QFIPXVFZSA-N 0 0 441.922 5.526 50 0 IKAARN Cc1cc(C)n2nc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3cccc(Cl)c3)nc2n1 ZINC000086066453 568644368 /nfs/dbraw/zinc/64/43/68/568644368.db2.gz QQQURIZROLHHEB-UHFFFAOYSA-N 0 0 447.970 5.539 50 0 IKAARN Cc1nc2nc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)nn2c(C)c1Cl ZINC000086066599 568644378 /nfs/dbraw/zinc/64/43/78/568644378.db2.gz RBJODMBKNPAVSI-UHFFFAOYSA-N 0 0 447.970 5.539 50 0 IKAARN CCc1ccccc1Oc1coc2cc(OCC(=O)Nc3ccccc3F)ccc2c1=O ZINC000000950217 568645074 /nfs/dbraw/zinc/64/50/74/568645074.db2.gz JNVZMBKCCXXITH-UHFFFAOYSA-N 0 0 433.435 5.304 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccc(F)cc1 ZINC000000955559 568645673 /nfs/dbraw/zinc/64/56/73/568645673.db2.gz XOKXQVICQKFUDP-UHFFFAOYSA-N 0 0 429.929 5.882 50 0 IKAARN Cc1ccsc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc(-c3ccccc3)nn21 ZINC000000956260 568645680 /nfs/dbraw/zinc/64/56/80/568645680.db2.gz WTBONVDMCPACTP-HXUWFJFHSA-N 0 0 427.533 5.243 50 0 IKAARN O=C(COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O)NC1CCCCC1 ZINC000000956115 568645695 /nfs/dbraw/zinc/64/56/95/568645695.db2.gz HGKLOLJFBNRRPB-UHFFFAOYSA-N 0 0 427.884 5.066 50 0 IKAARN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4cccs4)cc3oc2C(F)(F)F)cc1 ZINC000000958112 568646342 /nfs/dbraw/zinc/64/63/42/568646342.db2.gz ROQNHVKFOWQFRK-UHFFFAOYSA-N 0 0 446.402 6.193 50 0 IKAARN C[C@H](Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)OCc1ccccc1 ZINC000000953530 568646946 /nfs/dbraw/zinc/64/69/46/568646946.db2.gz KQRGXNMQGUGUHH-INIZCTEOSA-N 0 0 443.421 5.468 50 0 IKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000953693 568647001 /nfs/dbraw/zinc/64/70/01/568647001.db2.gz URZIQXFXYDPPML-UHFFFAOYSA-N 0 0 446.550 5.619 50 0 IKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 ZINC000000954660 568647028 /nfs/dbraw/zinc/64/70/28/568647028.db2.gz MHZKIOUYNCQELS-QGZVFWFLSA-N 0 0 434.714 5.166 50 0 IKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccccc2C(C)C)c3=O)cc1 ZINC000000954163 568647065 /nfs/dbraw/zinc/64/70/65/568647065.db2.gz ICWXBJBWHZGXCW-UHFFFAOYSA-N 0 0 430.456 5.937 50 0 IKAARN O=C(CN(Cc1ccccc1)C(=O)c1ccco1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000970955 568647493 /nfs/dbraw/zinc/64/74/93/568647493.db2.gz JUHRTZLNQDYWRF-UHFFFAOYSA-N 0 0 437.710 5.521 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)O[C@@H](c1ccc(Cl)cc1)c1ccccc1-n1ccnc1 ZINC000000971627 568647645 /nfs/dbraw/zinc/64/76/45/568647645.db2.gz DOERKMATLKGQHF-QFIPXVFZSA-N 0 0 438.314 6.517 50 0 IKAARN COC(=O)Nc1nc2cc(Oc3ccc(Br)c4ccccc34)c(Cl)cc2[nH]1 ZINC000000974696 568647653 /nfs/dbraw/zinc/64/76/53/568647653.db2.gz OXDJRMXPZCLYRN-UHFFFAOYSA-N 0 0 446.688 6.103 50 0 IKAARN Cc1cc2c3nnc(SCC(=O)N(c4ccccc4)c4ccccc4)nc3[nH]c2c(C)c1 ZINC000000976832 568648017 /nfs/dbraw/zinc/64/80/17/568648017.db2.gz DTRINAJCRRHMPG-UHFFFAOYSA-N 0 0 439.544 5.580 50 0 IKAARN CCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 ZINC000000976316 568648035 /nfs/dbraw/zinc/64/80/35/568648035.db2.gz AOYSFQOMUDJRNG-GOSISDBHSA-N 0 0 429.549 5.206 50 0 IKAARN CC[C@H](C)N1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O ZINC000000980908 568648771 /nfs/dbraw/zinc/64/87/71/568648771.db2.gz OOUBGMVQDRRIIS-JHDSZEHQSA-N 0 0 433.533 5.115 50 0 IKAARN CCN(CC)C(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2c1N ZINC000000989095 568648997 /nfs/dbraw/zinc/64/89/97/568648997.db2.gz LYBWDFZRTLVYRV-UHFFFAOYSA-N 0 0 431.561 5.703 50 0 IKAARN COc1ccc(-n2nc3ccc(NC(=O)[C@H](c4ccccc4)C4CCCC4)cc3n2)cc1 ZINC000000986881 568649060 /nfs/dbraw/zinc/64/90/60/568649060.db2.gz MLWQAOJPWUQRLA-RUZDIDTESA-N 0 0 426.520 5.342 50 0 IKAARN CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)cc(Cl)c1OCc1ccccc1F ZINC000000997358 568649345 /nfs/dbraw/zinc/64/93/45/568649345.db2.gz WINWCYCELDDLGQ-WOJGMQOQSA-N 0 0 441.842 5.394 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)o1 ZINC000000995319 568649404 /nfs/dbraw/zinc/64/94/04/568649404.db2.gz UBSRJPZTAFBDEP-UHFFFAOYSA-N 0 0 429.476 6.318 50 0 IKAARN O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc21)n1nnc2ccccc21 ZINC000000997027 568649417 /nfs/dbraw/zinc/64/94/17/568649417.db2.gz QSTGLHXJIJMRQF-UHFFFAOYSA-N 0 0 429.277 5.098 50 0 IKAARN CN(Cc1ccccc1)C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000999463 568649591 /nfs/dbraw/zinc/64/95/91/568649591.db2.gz YBPLQMMWUHVMFO-DZGCQCFKSA-N 0 0 438.837 5.062 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c(C)cccc23)cc1 ZINC000000991113 568650000 /nfs/dbraw/zinc/65/00/00/568650000.db2.gz DXCVNOJNGVXWEJ-UHFFFAOYSA-N 0 0 426.472 5.258 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000001004508 568650936 /nfs/dbraw/zinc/65/09/36/568650936.db2.gz VYFYGQSEDODWEQ-UHFFFAOYSA-N 0 0 445.924 5.515 50 0 IKAARN COc1ccc(OC)c(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000001003184 568650948 /nfs/dbraw/zinc/65/09/48/568650948.db2.gz HMLISOVZTLEUHN-UHFFFAOYSA-N 0 0 443.528 5.046 50 0 IKAARN Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000001004667 568650995 /nfs/dbraw/zinc/65/09/95/568650995.db2.gz VOXNXVPMAKCNSI-UHFFFAOYSA-N 0 0 435.332 5.703 50 0 IKAARN Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(C)cc4)c(C)s3)c3ccccc3n2)o1 ZINC000001009257 568651208 /nfs/dbraw/zinc/65/12/08/568651208.db2.gz ICCVYVATBRBWOK-UHFFFAOYSA-N 0 0 439.540 6.796 50 0 IKAARN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)Nc3ccc(Cl)cc3Cl)cc2N1 ZINC000001009264 568651210 /nfs/dbraw/zinc/65/12/10/568651210.db2.gz XWUIZJGZCOWEFQ-UONOGXRCSA-N 0 0 435.277 5.776 50 0 IKAARN CCn1cc([C@H](C)NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c(C)n1 ZINC000001012147 568651992 /nfs/dbraw/zinc/65/19/92/568651992.db2.gz XYVKHOYRMOBIBP-HNNXBMFYSA-N 0 0 442.357 5.044 50 0 IKAARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2ccc(Cl)cc2Cl)O1 ZINC000001027017 568653442 /nfs/dbraw/zinc/65/34/42/568653442.db2.gz CFOHICJDVBLLHQ-CVDCTZTESA-N 0 0 444.314 5.544 50 0 IKAARN O=C(c1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000001060693 568655833 /nfs/dbraw/zinc/65/58/33/568655833.db2.gz LGLNINDXYLXPNZ-DEOSSOPVSA-N 0 0 430.891 5.338 50 0 biogenic IKAARN Fc1cccc(Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)c1 ZINC000025390314 568656338 /nfs/dbraw/zinc/65/63/38/568656338.db2.gz RPQLXOLAZQEUKL-UHFFFAOYSA-N 0 0 441.984 7.008 50 0 IKAARN Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1C[C@@H]1CCCO1 ZINC000025396068 568656571 /nfs/dbraw/zinc/65/65/71/568656571.db2.gz WFEDQNMKYACDKG-NRFANRHFSA-N 0 0 445.588 5.598 50 0 IKAARN Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 ZINC000001094978 568658499 /nfs/dbraw/zinc/65/84/99/568658499.db2.gz ZJESWMLNZUWIKQ-UHFFFAOYSA-N 0 0 433.964 5.618 50 0 IKAARN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)/C(=C/c1ccco1)c1ccccc1 ZINC000001098785 568658776 /nfs/dbraw/zinc/65/87/76/568658776.db2.gz KUERJFXTAVHCSP-LKUDQCMESA-N 0 0 436.511 5.431 50 0 IKAARN Cc1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000001097530 568658838 /nfs/dbraw/zinc/65/88/38/568658838.db2.gz OSIHTIBJAFJQDC-UHFFFAOYSA-N 0 0 425.234 5.343 50 0 IKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000001116109 568659876 /nfs/dbraw/zinc/65/98/76/568659876.db2.gz DBVPMBWGLABZOQ-NSHDSACASA-N 0 0 444.336 5.149 50 0 IKAARN COc1ccc(C(=O)c2sc3nc(-c4ccco4)cc(C(F)(F)F)c3c2N)cc1OC ZINC000001125845 568661338 /nfs/dbraw/zinc/66/13/38/568661338.db2.gz LGZYLJQCFYMCDC-UHFFFAOYSA-N 0 0 448.422 5.406 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001156214 568663798 /nfs/dbraw/zinc/66/37/98/568663798.db2.gz LGKAVVHNJONYOL-UHFFFAOYSA-N 0 0 425.109 6.577 50 0 IKAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cc(Cl)ccc1Cl ZINC000001161741 568664251 /nfs/dbraw/zinc/66/42/51/568664251.db2.gz LGKFDBLIXBAPNU-UHFFFAOYSA-N 0 0 438.376 5.773 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cccc2ccccc21 ZINC000015163238 568731848 /nfs/dbraw/zinc/73/18/48/568731848.db2.gz PITDIPZKFWYDLE-UHFFFAOYSA-N 0 0 447.563 6.695 50 0 IKAARN COc1ccccc1-n1c(SCc2cn3cccc(C)c3n2)nnc1-c1cccs1 ZINC000015228395 568734981 /nfs/dbraw/zinc/73/49/81/568734981.db2.gz YWWJFLGFQFCBTJ-UHFFFAOYSA-N 0 0 433.562 5.253 50 0 IKAARN COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2Br)c2ccccc2)cc1 ZINC000001170922 568735359 /nfs/dbraw/zinc/73/53/59/568735359.db2.gz LJJCHTIXWAXQRS-NRFANRHFSA-N 0 0 425.278 5.239 50 0 IKAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000001174768 568735592 /nfs/dbraw/zinc/73/55/92/568735592.db2.gz FZHSULLFCFIMHO-UHFFFAOYSA-N 0 0 440.540 5.092 50 0 IKAARN COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000001173156 568735670 /nfs/dbraw/zinc/73/56/70/568735670.db2.gz SBZHVFHHVOTZIE-SXGWCWSVSA-N 0 0 438.730 5.348 50 0 IKAARN CC(C)C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000001178198 568735815 /nfs/dbraw/zinc/73/58/15/568735815.db2.gz KDEBJDGMKCQISA-KRWDZBQOSA-N 0 0 439.726 5.296 50 0 IKAARN CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1nc2ccccc2s1 ZINC000001176893 568735900 /nfs/dbraw/zinc/73/59/00/568735900.db2.gz BAKDSTOVJIDVJQ-MRXNPFEDSA-N 0 0 448.577 5.119 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000001737992 568738272 /nfs/dbraw/zinc/73/82/72/568738272.db2.gz HSBMMWWSPKSUOM-UHFFFAOYSA-N 0 0 447.321 7.136 50 0 IKAARN COc1ccc([C@H]2c3cc(Cl)c4ccccc4c3Oc3ncn(C)c(=N)c32)cc1OC ZINC000137055794 568738278 /nfs/dbraw/zinc/73/82/78/568738278.db2.gz ZNQOPHZRZPZUDQ-FQEVSTJZSA-N 0 0 433.895 5.009 50 0 IKAARN O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CNc1cc(Cl)ccc1Cl ZINC000034855857 568738442 /nfs/dbraw/zinc/73/84/42/568738442.db2.gz DQPCBLMMCVQYHJ-WCSRMQSCSA-N 0 0 448.158 6.406 50 0 IKAARN CCCc1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000005919350 568738603 /nfs/dbraw/zinc/73/86/03/568738603.db2.gz KFRMKNMSAHSOIY-QFIPXVFZSA-N 0 0 446.938 5.613 50 0 IKAARN Cc1ccc(/C=C2/N=C(SCc3ccc(F)cc3)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000025608638 568738676 /nfs/dbraw/zinc/73/86/76/568738676.db2.gz MSGODNYHLBTAJC-LPYMAVHISA-N 0 0 436.939 6.465 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2OC)sc2c1CCCCCC2 ZINC000005948046 568739221 /nfs/dbraw/zinc/73/92/21/568739221.db2.gz ICUDUZUOVMFVLD-UHFFFAOYSA-N 0 0 448.610 5.410 50 0 IKAARN CCOC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc2c1CCCCCC2 ZINC000005948025 568739232 /nfs/dbraw/zinc/73/92/32/568739232.db2.gz FTZYIKMDTMHIJD-OAHLLOKOSA-N 0 0 428.623 5.732 50 0 IKAARN CCCCc1ccc(NC(=S)Nc2sc3c(c2C(=O)OCC)CCCCCC3)cc1 ZINC000005946374 568739233 /nfs/dbraw/zinc/73/92/33/568739233.db2.gz DHRYYYWZQISZBM-UHFFFAOYSA-N 0 0 444.666 6.735 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OCC)cc2)sc2c1CCCCCC2 ZINC000005949217 568739346 /nfs/dbraw/zinc/73/93/46/568739346.db2.gz WNVGZYSGBOSODH-UHFFFAOYSA-N 0 0 432.611 5.791 50 0 IKAARN CCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775131 568739441 /nfs/dbraw/zinc/73/94/41/568739441.db2.gz KSBFRANPTVINTI-OAHLLOKOSA-N 0 0 430.884 5.576 50 0 IKAARN CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775161 568739546 /nfs/dbraw/zinc/73/95/46/568739546.db2.gz VQRSPSZUSHSPMN-IBGZPJMESA-N 0 0 444.911 5.966 50 0 IKAARN Cc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 ZINC000001776882 568739678 /nfs/dbraw/zinc/73/96/78/568739678.db2.gz RXISCIWUAYXKCQ-UHFFFAOYSA-N 0 0 427.283 6.780 50 0 IKAARN CCc1cccc(CC)c1NC(=O)c1cccc(C(=O)Nc2c(CC)cccc2CC)n1 ZINC000005985296 568739923 /nfs/dbraw/zinc/73/99/23/568739923.db2.gz MPXYDPRUUOXHFE-UHFFFAOYSA-N 0 0 429.564 5.836 50 0 IKAARN Cc1sc2[nH]c(SCCCCOc3ccccc3C)nc(=O)c2c1-c1ccccc1 ZINC000001792219 568740225 /nfs/dbraw/zinc/74/02/25/568740225.db2.gz KKUPXTJCQSYBJN-UHFFFAOYSA-N 0 0 436.602 6.220 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001798146 568740396 /nfs/dbraw/zinc/74/03/96/568740396.db2.gz XHEYWOJOSDINGJ-UHFFFAOYSA-N 0 0 430.617 6.468 50 0 IKAARN CC[C@]1(C)Cc2ccccc2-c2nc(SCCC(C)C)n(Cc3ccccc3)c(=O)c21 ZINC000001801714 568740449 /nfs/dbraw/zinc/74/04/49/568740449.db2.gz VLMRNVCYUAUXIR-HHHXNRCGSA-N 0 0 432.633 6.321 50 0 IKAARN COc1ccc(OCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001800445 568740461 /nfs/dbraw/zinc/74/04/61/568740461.db2.gz FTKJFQJMWJRJIA-UHFFFAOYSA-N 0 0 448.950 5.975 50 0 IKAARN COc1ccc(CSc2ncnc3c2sc2nc(CC(C)C)c4c(c23)CCCC4)cc1 ZINC000001800676 568740475 /nfs/dbraw/zinc/74/04/75/568740475.db2.gz MKBIMZZGGJKQOO-UHFFFAOYSA-N 0 0 449.645 6.618 50 0 IKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001807454 568740839 /nfs/dbraw/zinc/74/08/39/568740839.db2.gz PMVZNGLTSKWVRG-UHFFFAOYSA-N 0 0 444.483 6.111 50 0 IKAARN Cc1ccc(Cn2c(=O)c3c(nc2SC(C)C)-c2ccccc2CC32CCCCC2)cc1 ZINC000001826880 568741576 /nfs/dbraw/zinc/74/15/76/568741576.db2.gz PFZSEMNLASAAIV-UHFFFAOYSA-N 0 0 444.644 6.526 50 0 biogenic IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001821524 568741582 /nfs/dbraw/zinc/74/15/82/568741582.db2.gz LTEQVPMEEPTHRJ-GOSISDBHSA-N 0 0 444.622 5.445 50 0 IKAARN CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3 ZINC000001856848 568741776 /nfs/dbraw/zinc/74/17/76/568741776.db2.gz MITWQHRUJHYQHN-AWEZNQCLSA-N 0 0 432.659 5.466 50 0 IKAARN CCc1cc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)ccc1Cl ZINC000001895860 568741936 /nfs/dbraw/zinc/74/19/36/568741936.db2.gz JFWQNAYAAIQOKP-UHFFFAOYSA-N 0 0 439.342 6.012 50 0 IKAARN CCOP(=O)(Cc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C)OCC ZINC000001900839 568742250 /nfs/dbraw/zinc/74/22/50/568742250.db2.gz WROUGGBQUABEBQ-DEOSSOPVSA-N 0 0 427.481 5.982 50 0 IKAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccco1)c1ccc(Br)cc1 ZINC000001994104 568742354 /nfs/dbraw/zinc/74/23/54/568742354.db2.gz OLWNYWBEWCMJAU-UHFFFAOYSA-N 0 0 425.234 5.077 50 0 IKAARN CCN(CC)[P@@]1(=Nc2cccc(C)c2C)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012524484 568742399 /nfs/dbraw/zinc/74/23/99/568742399.db2.gz NQQKOQYSALBODT-RUEYHTOUSA-N 0 0 449.583 6.878 50 0 IKAARN O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002083570 568742559 /nfs/dbraw/zinc/74/25/59/568742559.db2.gz CDSAITVZCSLLTR-UHFFFAOYSA-N 0 0 427.356 6.243 50 0 IKAARN O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002105564 568742724 /nfs/dbraw/zinc/74/27/24/568742724.db2.gz QNUMUHYKXHRENH-UHFFFAOYSA-N 0 0 428.919 6.915 50 0 IKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000003210722 568742990 /nfs/dbraw/zinc/74/29/90/568742990.db2.gz YLRJCLVQVAHALG-UHFFFAOYSA-N 0 0 440.446 6.874 50 0 IKAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(Cl)ccc(C)c2Cl)c1 ZINC000003217974 568743110 /nfs/dbraw/zinc/74/31/10/568743110.db2.gz SLHVDEAGKRLLGO-UHFFFAOYSA-N 0 0 449.787 5.238 50 0 IKAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000003224465 568743120 /nfs/dbraw/zinc/74/31/20/568743120.db2.gz ZSDBHEXQOITZDO-UHFFFAOYSA-N 0 0 443.425 5.256 50 0 IKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccc(F)c(F)c1F ZINC000003225672 568743131 /nfs/dbraw/zinc/74/31/31/568743131.db2.gz ZWUOKYVBESKHOZ-UHFFFAOYSA-N 0 0 426.825 6.533 50 0 IKAARN CCSc1nnc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)s1 ZINC000003235324 568743299 /nfs/dbraw/zinc/74/32/99/568743299.db2.gz YLMHFGUOOWDXGX-UHFFFAOYSA-N 0 0 440.981 6.079 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000003226564 568743344 /nfs/dbraw/zinc/74/33/44/568743344.db2.gz UJRORKWPLONXLH-UHFFFAOYSA-N 0 0 429.748 5.305 50 0 IKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003227770 568743365 /nfs/dbraw/zinc/74/33/65/568743365.db2.gz AMFZQBFYKFBMCI-UHFFFAOYSA-N 0 0 448.375 5.026 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000003247034 568743551 /nfs/dbraw/zinc/74/35/51/568743551.db2.gz NDDGBVPKUVDLSW-MRXNPFEDSA-N 0 0 444.512 5.350 50 0 IKAARN O=C(c1sc2c(c1Cl)c(-c1ccc(F)cc1)nn2-c1ccccc1)N1CCCCC1 ZINC000003254788 568744015 /nfs/dbraw/zinc/74/40/15/568744015.db2.gz HTJKSHITZCNPCK-UHFFFAOYSA-N 0 0 439.943 6.173 50 0 IKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)c(C)c1 ZINC000003255783 568744072 /nfs/dbraw/zinc/74/40/72/568744072.db2.gz YVCUHZKNWHJSQH-UHFFFAOYSA-N 0 0 440.381 5.331 50 0 IKAARN O=C(CSc1cccc2cccc(Cl)c21)OCC(=O)c1cccc(Br)c1 ZINC000003264450 568744256 /nfs/dbraw/zinc/74/42/56/568744256.db2.gz FONRPSHNUMOXGE-UHFFFAOYSA-N 0 0 449.753 5.774 50 0 IKAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1ccccc1C)cc2C ZINC000003268627 568744442 /nfs/dbraw/zinc/74/44/42/568744442.db2.gz IMBVUZAAQDHRPC-UHFFFAOYSA-N 0 0 445.265 5.021 50 0 IKAARN CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O ZINC000003263871 568744516 /nfs/dbraw/zinc/74/45/16/568744516.db2.gz APAOPVQBBWHNEV-UHFFFAOYSA-N 0 0 447.535 5.379 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c1Cl ZINC000003274246 568744580 /nfs/dbraw/zinc/74/45/80/568744580.db2.gz NZTQHGITBAANOZ-UHFFFAOYSA-N 0 0 431.348 5.537 50 0 IKAARN CCOC(=O)c1oc2ccccc2c1CSc1nnc(NCc2ccccc2)s1 ZINC000003277191 568744852 /nfs/dbraw/zinc/74/48/52/568744852.db2.gz LNLJMNMIDNUVQQ-UHFFFAOYSA-N 0 0 425.535 5.365 50 0 IKAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3Cc3ccccc3)cc12 ZINC000003297013 568745343 /nfs/dbraw/zinc/74/53/43/568745343.db2.gz OPESNLJYRCBXQR-UHFFFAOYSA-N 0 0 437.568 6.298 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003293192 568745348 /nfs/dbraw/zinc/74/53/48/568745348.db2.gz SPQAZJOZRLEVSG-NRFANRHFSA-N 0 0 429.303 5.192 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc43)n2CC(C)C)cc1 ZINC000003297686 568745548 /nfs/dbraw/zinc/74/55/48/568745548.db2.gz QTVUCHNPYHYPRP-UHFFFAOYSA-N 0 0 434.565 5.374 50 0 IKAARN Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]2C)c1 ZINC000012551597 568745764 /nfs/dbraw/zinc/74/57/64/568745764.db2.gz JLYCXJWRLSBINT-PKTZIBPZSA-N 0 0 443.591 5.112 50 0 IKAARN O=C(OCCOc1ccc(Br)cc1)c1sc2cc(F)ccc2c1Cl ZINC000003311924 568745841 /nfs/dbraw/zinc/74/58/41/568745841.db2.gz HPKBAOOGRXALBI-UHFFFAOYSA-N 0 0 429.694 5.692 50 0 IKAARN O=C(Cc1ccc(Br)cc1)O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003316110 568745863 /nfs/dbraw/zinc/74/58/63/568745863.db2.gz SKMCYNACRCSDTM-XMMPIXPASA-N 0 0 448.316 5.640 50 0 IKAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003319934 568746027 /nfs/dbraw/zinc/74/60/27/568746027.db2.gz LPLQBGMSRJMOHY-UHFFFAOYSA-N 0 0 442.846 5.083 50 0 IKAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1C(F)(F)F ZINC000003319420 568746068 /nfs/dbraw/zinc/74/60/68/568746068.db2.gz KJJPXEVPRKAXHT-UHFFFAOYSA-N 0 0 431.794 5.508 50 0 IKAARN O=C(c1c[nH]c2ccccc21)[C@@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 ZINC000003331738 568746235 /nfs/dbraw/zinc/74/62/35/568746235.db2.gz MAWAJVRPNKNKJH-QFIPXVFZSA-N 0 0 440.553 6.142 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)c1oc2ccccc2c1COc1ccccc1 ZINC000003325727 568746269 /nfs/dbraw/zinc/74/62/69/568746269.db2.gz NKCYIWXGAKIOES-UHFFFAOYSA-N 0 0 433.507 6.531 50 0 IKAARN O=C(Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1)NCC(F)(F)F ZINC000044035878 568746279 /nfs/dbraw/zinc/74/62/79/568746279.db2.gz VMLVQTLRIBWHNJ-UHFFFAOYSA-N 0 0 440.465 5.068 50 0 IKAARN COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003340110 568746503 /nfs/dbraw/zinc/74/65/03/568746503.db2.gz QSKKIDMQEHKGQY-OAHLLOKOSA-N 0 0 432.501 5.156 50 0 IKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000003336427 568746512 /nfs/dbraw/zinc/74/65/12/568746512.db2.gz TWGNLWCLWFVSAG-UHFFFAOYSA-N 0 0 444.560 5.335 50 0 IKAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003344735 568746522 /nfs/dbraw/zinc/74/65/22/568746522.db2.gz PRMCRKWIIWFAES-UHFFFAOYSA-N 0 0 442.846 5.083 50 0 IKAARN Cc1ccc(-c2nnc(SCCOc3ccccc3Cl)nc2-c2ccc(C)cc2)cc1 ZINC000003352077 568746849 /nfs/dbraw/zinc/74/68/49/568746849.db2.gz UTPNOJZMYFMVTM-UHFFFAOYSA-N 0 0 447.991 6.647 50 0 IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000003351891 568746859 /nfs/dbraw/zinc/74/68/59/568746859.db2.gz NUHACGLXWRUCDS-UHFFFAOYSA-N 0 0 429.516 5.879 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 ZINC000003354880 568746975 /nfs/dbraw/zinc/74/69/75/568746975.db2.gz OXEBXKDKKCQMQW-OAQYLSRUSA-N 0 0 434.539 6.021 50 0 IKAARN CCOc1ccc(OC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)cc1 ZINC000003360972 568747208 /nfs/dbraw/zinc/74/72/08/568747208.db2.gz ZRVTWWKNHUYZOQ-UHFFFAOYSA-N 0 0 436.558 6.077 50 0 IKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000044086018 568747315 /nfs/dbraw/zinc/74/73/15/568747315.db2.gz DMMZRJVNCKQYQB-UHFFFAOYSA-N 0 0 449.963 5.932 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1)N1CCCC1 ZINC000044086091 568747316 /nfs/dbraw/zinc/74/73/16/568747316.db2.gz RHJXWRGEWFPYQZ-UHFFFAOYSA-N 0 0 432.376 5.561 50 0 IKAARN O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1)N1CCCCC1 ZINC000044086093 568747323 /nfs/dbraw/zinc/74/73/23/568747323.db2.gz ZLVYBMNVEDSOBG-UHFFFAOYSA-N 0 0 446.403 5.951 50 0 IKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 ZINC000044087487 568747542 /nfs/dbraw/zinc/74/75/42/568747542.db2.gz PYKLEESDQXNLQD-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)n1 ZINC000044087225 568747558 /nfs/dbraw/zinc/74/75/58/568747558.db2.gz IIUOQCOUQSJNDP-UHFFFAOYSA-N 0 0 440.981 5.688 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2cccc(Cl)c2)cc1 ZINC000044087308 568747595 /nfs/dbraw/zinc/74/75/95/568747595.db2.gz OUVJWDJOVKHPNB-UHFFFAOYSA-N 0 0 447.991 6.540 50 0 IKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)no1 ZINC000044087584 568747733 /nfs/dbraw/zinc/74/77/33/568747733.db2.gz VWJVUAKYQUYPMH-UHFFFAOYSA-N 0 0 438.940 5.528 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000044087682 568747737 /nfs/dbraw/zinc/74/77/37/568747737.db2.gz KSLJDPFNBXZVMS-UHFFFAOYSA-N 0 0 445.510 5.663 50 0 IKAARN COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044087953 568747776 /nfs/dbraw/zinc/74/77/76/568747776.db2.gz STYOMBXZOFVNMI-UHFFFAOYSA-N 0 0 434.483 6.481 50 0 IKAARN CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087868 568747780 /nfs/dbraw/zinc/74/77/80/568747780.db2.gz OGFYOVAWHWTGDU-UHFFFAOYSA-N 0 0 427.289 6.433 50 0 IKAARN CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044087933 568747793 /nfs/dbraw/zinc/74/77/93/568747793.db2.gz VQUJECJPLHZCMW-UHFFFAOYSA-N 0 0 435.471 5.055 50 0 IKAARN FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)cc1 ZINC000044087935 568747800 /nfs/dbraw/zinc/74/78/00/568747800.db2.gz OLLRWRRMGQOAIF-UHFFFAOYSA-N 0 0 426.463 6.730 50 0 IKAARN Fc1ccc(CSc2ncc(-c3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087708 568747813 /nfs/dbraw/zinc/74/78/13/568747813.db2.gz OVOCNBKLVMIHNB-UHFFFAOYSA-N 0 0 428.454 6.990 50 0 IKAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000044086689 568747868 /nfs/dbraw/zinc/74/78/68/568747868.db2.gz UVWLJILUMSOLMG-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000044086686 568747880 /nfs/dbraw/zinc/74/78/80/568747880.db2.gz REOXMADWUBVAKZ-UHFFFAOYSA-N 0 0 433.964 6.232 50 0 IKAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044086680 568747932 /nfs/dbraw/zinc/74/79/32/568747932.db2.gz JMTLPDILPHXKKQ-UHFFFAOYSA-N 0 0 425.557 5.529 50 0 IKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000044086514 568748006 /nfs/dbraw/zinc/74/80/06/568748006.db2.gz STXORLWGCYIQMK-UHFFFAOYSA-N 0 0 447.991 6.540 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCC(=O)N2CCCC2)cc1 ZINC000044086584 568748010 /nfs/dbraw/zinc/74/80/10/568748010.db2.gz CBZRDIKUIHGNHW-UHFFFAOYSA-N 0 0 446.403 5.869 50 0 IKAARN CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1C ZINC000044086901 568748098 /nfs/dbraw/zinc/74/80/98/568748098.db2.gz VBCWBTZWJSNCMI-UHFFFAOYSA-N 0 0 431.355 5.265 50 0 IKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000044086968 568748130 /nfs/dbraw/zinc/74/81/30/568748130.db2.gz BLOUBQRMXREJSP-UHFFFAOYSA-N 0 0 437.927 6.063 50 0 IKAARN Cc1ccccc1-n1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC(C)C ZINC000044086933 568748159 /nfs/dbraw/zinc/74/81/59/568748159.db2.gz FQUAPDKOMJKFLN-UHFFFAOYSA-N 0 0 444.398 5.227 50 0 IKAARN CC(C)(C)c1ccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 ZINC000003409633 568748464 /nfs/dbraw/zinc/74/84/64/568748464.db2.gz SYSNEYJFCADTSB-UHFFFAOYSA-N 0 0 433.599 5.831 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(C)n1C ZINC000003410917 568748740 /nfs/dbraw/zinc/74/87/40/568748740.db2.gz BDSILWKAECDMKY-UHFFFAOYSA-N 0 0 440.956 5.170 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3cc(OC)c(OC)cc32)cc1 ZINC000044170100 568749086 /nfs/dbraw/zinc/74/90/86/568749086.db2.gz MGKIZTIWWPVVHX-UHFFFAOYSA-N 0 0 449.551 5.266 50 0 IKAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000003466261 568749814 /nfs/dbraw/zinc/74/98/14/568749814.db2.gz MQHSSHWUSDJLQY-GOSISDBHSA-N 0 0 428.263 5.835 50 0 IKAARN Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C[C@H]3CCCO3)cs2)cc1 ZINC000003444305 568749538 /nfs/dbraw/zinc/74/95/38/568749538.db2.gz FGJDQOCOTOSVLH-LJQANCHMSA-N 0 0 449.601 5.300 50 0 IKAARN Cc1sc2nc(SCC(=O)c3cc(F)ccc3F)n(C3CCCC3)c(=O)c2c1C ZINC000003446162 568749644 /nfs/dbraw/zinc/74/96/44/568749644.db2.gz VEDDDCDSPXENID-UHFFFAOYSA-N 0 0 434.533 5.443 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000003445279 568749713 /nfs/dbraw/zinc/74/97/13/568749713.db2.gz OOZQRTXMCUPBLX-UHFFFAOYSA-N 0 0 439.924 5.094 50 0 IKAARN C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000003458173 568749755 /nfs/dbraw/zinc/74/97/55/568749755.db2.gz ZIEKYJDGMOGCGQ-LJQANCHMSA-N 0 0 440.543 5.051 50 0 IKAARN COc1cccc(CN[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c1 ZINC000003454218 568749883 /nfs/dbraw/zinc/74/98/83/568749883.db2.gz HDURPLSRIYOWNE-OAQYLSRUSA-N 0 0 448.872 5.837 50 0 IKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2 ZINC000012569725 568750143 /nfs/dbraw/zinc/75/01/43/568750143.db2.gz ZCVISYMJYWAPHE-SSGAXFJESA-N 0 0 437.605 5.456 50 0 IKAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Br)c2cccc(Cl)c12 ZINC000012569796 568750376 /nfs/dbraw/zinc/75/03/76/568750376.db2.gz ISKZEUQGFSYCNB-ZDUSSCGKSA-N 0 0 446.797 6.326 50 0 IKAARN CCCn1cc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)c2ccccc21 ZINC000003581998 568751170 /nfs/dbraw/zinc/75/11/70/568751170.db2.gz QIJJLBYONQNXJD-UHFFFAOYSA-N 0 0 442.606 5.509 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1C ZINC000003618620 568751573 /nfs/dbraw/zinc/75/15/73/568751573.db2.gz LJCKTRBMQMLEGN-UHFFFAOYSA-N 0 0 432.564 5.953 50 0 IKAARN O=C(NC1CCCCC1)C1(N(C(=O)c2ccc3c(c2)OCO3)c2ccccc2)CCCCC1 ZINC000003626065 568751947 /nfs/dbraw/zinc/75/19/47/568751947.db2.gz SWIWGSMQLYRPQD-UHFFFAOYSA-N 0 0 448.563 5.214 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000003636622 568752080 /nfs/dbraw/zinc/75/20/80/568752080.db2.gz OAIYXZBHZNZRGH-HTAPYJJXSA-N 0 0 448.588 5.376 50 0 IKAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000003636614 568752113 /nfs/dbraw/zinc/75/21/13/568752113.db2.gz CWSONHBODQDMAZ-VGSWGCGISA-N 0 0 434.561 5.202 50 0 IKAARN Cc1c2c3cc(-c4ccc(Br)cc4)cn3nc(C)c2c(C)n1Cc1ccccc1 ZINC000003647566 568752591 /nfs/dbraw/zinc/75/25/91/568752591.db2.gz XKFAOJDWFMOBJI-UHFFFAOYSA-N 0 0 444.376 6.692 50 0 IKAARN CC1(C)Cc2c([nH]c3nc(SCc4ccccc4)nc(SCc4ccccc4)c32)CO1 ZINC000003647737 568752601 /nfs/dbraw/zinc/75/26/01/568752601.db2.gz FHVNTNDTAGLJRH-UHFFFAOYSA-N 0 0 447.629 6.394 50 0 IKAARN CCn1c2ccccc2c2cc(/N=c3\cc(-c4ccc(OC)cc4)oc4ccccc43)ccc21 ZINC000003647547 568752647 /nfs/dbraw/zinc/75/26/47/568752647.db2.gz KNHSSXPKCUMSJO-GKPLWNPISA-N 0 0 444.534 7.469 50 0 IKAARN COc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccccc4)cc(C(F)(F)F)c23)cc1 ZINC000003651664 568752821 /nfs/dbraw/zinc/75/28/21/568752821.db2.gz AUKPPKMXJIXSHL-UHFFFAOYSA-N 0 0 445.444 6.782 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655457 568752928 /nfs/dbraw/zinc/75/29/28/568752928.db2.gz NFJXFUHQQLOTRQ-HNNXBMFYSA-N 0 0 433.435 5.218 50 0 IKAARN CCCCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000003655443 568752992 /nfs/dbraw/zinc/75/29/92/568752992.db2.gz JJWUIFTWTCWKNM-UHFFFAOYSA-N 0 0 445.490 6.624 50 0 IKAARN COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000003655416 568753030 /nfs/dbraw/zinc/75/30/30/568753030.db2.gz KHNYRHSDCRHAOK-UHFFFAOYSA-N 0 0 449.434 5.081 50 0 IKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655460 568753101 /nfs/dbraw/zinc/75/31/01/568753101.db2.gz HMLJEKZEZBRMKC-KRWDZBQOSA-N 0 0 429.472 5.387 50 0 IKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000003655521 568753126 /nfs/dbraw/zinc/75/31/26/568753126.db2.gz QWTUYDXWCRILDA-UHFFFAOYSA-N 0 0 429.472 5.307 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000003655513 568753128 /nfs/dbraw/zinc/75/31/28/568753128.db2.gz ZRACOOSZNRGXGO-UHFFFAOYSA-N 0 0 447.918 6.260 50 0 IKAARN CC(C)COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655482 568753137 /nfs/dbraw/zinc/75/31/37/568753137.db2.gz QMUKABBAMFDGFG-UHFFFAOYSA-N 0 0 447.918 6.604 50 0 IKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000003655498 568753157 /nfs/dbraw/zinc/75/31/57/568753157.db2.gz XMABQDXMLZOPTQ-LJQANCHMSA-N 0 0 427.500 5.995 50 0 IKAARN Cc1cc(C)cc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)c1 ZINC000003655518 568753164 /nfs/dbraw/zinc/75/31/64/568753164.db2.gz SRWZKHRIJXEKAC-UHFFFAOYSA-N 0 0 433.891 5.952 50 0 IKAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655475 568753177 /nfs/dbraw/zinc/75/31/77/568753177.db2.gz ZRSBOMPGUAGFPY-AWEZNQCLSA-N 0 0 437.854 5.862 50 0 IKAARN Cc1cc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc(C)c1Cl ZINC000003655490 568753196 /nfs/dbraw/zinc/75/31/96/568753196.db2.gz BRHSCKHSBURASX-KRWDZBQOSA-N 0 0 447.918 6.340 50 0 IKAARN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000003658652 568753313 /nfs/dbraw/zinc/75/33/13/568753313.db2.gz FTNQPRWIHQLHQH-UHFFFAOYSA-N 0 0 425.532 6.827 50 0 IKAARN CCc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)cc2)cc1 ZINC000003655628 568753315 /nfs/dbraw/zinc/75/33/15/568753315.db2.gz GPIBBHOQVMNSSI-UHFFFAOYSA-N 0 0 429.472 5.252 50 0 IKAARN Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658670 568753324 /nfs/dbraw/zinc/75/33/24/568753324.db2.gz UOWSIBAWGWQTSD-UHFFFAOYSA-N 0 0 425.532 6.827 50 0 IKAARN Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)cc1 ZINC000003658682 568753401 /nfs/dbraw/zinc/75/34/01/568753401.db2.gz SDYZMTRYTLVNML-UHFFFAOYSA-N 0 0 429.495 6.658 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2SCc1ccc(C)cc1 ZINC000003658716 568753405 /nfs/dbraw/zinc/75/34/05/568753405.db2.gz MENUGIAIIZDBKX-UHFFFAOYSA-N 0 0 437.568 6.697 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2cccc(C)c2)cc1 ZINC000003658760 568753585 /nfs/dbraw/zinc/75/35/85/568753585.db2.gz YHYSCHKAOYNREM-UHFFFAOYSA-N 0 0 437.568 6.697 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@@H](C)c2ccccc2)cc1 ZINC000003658745 568753593 /nfs/dbraw/zinc/75/35/93/568753593.db2.gz ANPRVMMYVXBUNM-IBGZPJMESA-N 0 0 437.568 6.949 50 0 IKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2)cc1 ZINC000003658773 568753613 /nfs/dbraw/zinc/75/36/13/568753613.db2.gz AGVARKJZARVJDK-UHFFFAOYSA-N 0 0 437.568 6.779 50 0 IKAARN Cc1ccc(N(C(=O)c2ccccc2O)C2(C(=O)Nc3ccccc3)CCCCC2)cc1 ZINC000003667581 568753883 /nfs/dbraw/zinc/75/38/83/568753883.db2.gz CYCJQDGWSXREAE-UHFFFAOYSA-N 0 0 428.532 5.689 50 0 IKAARN CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 ZINC000003667619 568753899 /nfs/dbraw/zinc/75/38/99/568753899.db2.gz YAFAWYDHWFQVFE-QNGOZBTKSA-N 0 0 436.577 5.055 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1Oc1ccc(C2CCCCC2)cc1)c1cccnc1 ZINC000003666856 568753932 /nfs/dbraw/zinc/75/39/32/568753932.db2.gz GULBSXOLOXALFB-UHFFFAOYSA-N 0 0 440.465 7.193 50 0 IKAARN c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003671438 568754084 /nfs/dbraw/zinc/75/40/84/568754084.db2.gz FUEGHUIETSUFQD-UHFFFAOYSA-N 0 0 438.534 7.059 50 0 IKAARN CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000003765750 568754249 /nfs/dbraw/zinc/75/42/49/568754249.db2.gz ZOYSRMAEPTZRQB-UHFFFAOYSA-N 0 0 439.338 5.384 50 0 IKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2nnn(-c3ccc(F)cc3)c2C)C1(C)C ZINC000003765632 568754306 /nfs/dbraw/zinc/75/43/06/568754306.db2.gz MTWGQVTVDNWZAU-OFNKIYASSA-N 0 0 445.542 5.064 50 0 IKAARN CCOC(=O)c1c2cc(O)cc(-c3cccc(C(F)(F)F)c3)c2oc1-c1ccccc1 ZINC000003764217 568754445 /nfs/dbraw/zinc/75/44/45/568754445.db2.gz LZMANJHZNKDTDR-UHFFFAOYSA-N 0 0 426.390 6.668 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000003766627 568754448 /nfs/dbraw/zinc/75/44/48/568754448.db2.gz JWNYIGANQBUBEZ-UHFFFAOYSA-N 0 0 435.858 6.344 50 0 IKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003766629 568754479 /nfs/dbraw/zinc/75/44/79/568754479.db2.gz QHVTUVDKIMBKRO-UHFFFAOYSA-N 0 0 440.277 6.988 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000003771734 568754596 /nfs/dbraw/zinc/75/45/96/568754596.db2.gz WNBYJUYNDCVARO-NDEPHWFRSA-N 0 0 446.660 6.659 50 0 IKAARN CCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000003771731 568754600 /nfs/dbraw/zinc/75/46/00/568754600.db2.gz ZHOWVWYPCUTICM-HHHXNRCGSA-N 0 0 432.633 6.269 50 0 IKAARN CC(=O)Nc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000003770978 568754651 /nfs/dbraw/zinc/75/46/51/568754651.db2.gz CVCONDHAAFKXHA-MHZLTWQESA-N 0 0 432.479 6.087 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000004025726 568758722 /nfs/dbraw/zinc/75/87/22/568758722.db2.gz WAVPHEOFLPWMCI-JRTYBQPKSA-N 0 0 432.604 6.534 50 0 biogenic IKAARN COc1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1Cl ZINC000004145633 568758745 /nfs/dbraw/zinc/75/87/45/568758745.db2.gz CVQVWTMJYDIIRT-UHFFFAOYSA-N 0 0 442.371 6.542 50 0 IKAARN COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263586534 568759231 /nfs/dbraw/zinc/75/92/31/568759231.db2.gz VJQIPXUAZVRXQU-OAQYLSRUSA-N 0 0 448.526 5.562 50 0 biogenic IKAARN Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000073686364 568759653 /nfs/dbraw/zinc/75/96/53/568759653.db2.gz SETINKQYYJNCAW-UHFFFAOYSA-N 0 0 437.568 6.290 50 0 IKAARN COc1cc(C(=O)N[C@H](c2cccs2)c2ccccc2)ccc1OCc1ccncc1 ZINC000031915960 568759702 /nfs/dbraw/zinc/75/97/02/568759702.db2.gz PSPCGBFMDUDDJI-DEOSSOPVSA-N 0 0 430.529 5.250 50 0 IKAARN CC(=O)[C@@H]1C[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 ZINC000004046863 568759910 /nfs/dbraw/zinc/75/99/10/568759910.db2.gz VGHIIJSHMNDPAA-QKZGOTKPSA-N 0 0 444.534 5.824 50 0 IKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(OC(F)(F)F)cc1 ZINC000031952013 568760025 /nfs/dbraw/zinc/76/00/25/568760025.db2.gz IKCCANNBQLTDCY-GFCCVEGCSA-N 0 0 440.368 5.328 50 0 IKAARN COC(=O)c1nc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)sc1-c1ccccc1 ZINC000263586978 568760030 /nfs/dbraw/zinc/76/00/30/568760030.db2.gz AOSFFSZAQBHJOO-KRWDZBQOSA-N 0 0 437.546 5.078 50 0 IKAARN Cc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCc2cccc(C)c2)cc1 ZINC000073690829 568760054 /nfs/dbraw/zinc/76/00/54/568760054.db2.gz XAGRGQYUIFYDDB-UHFFFAOYSA-N 0 0 437.568 6.290 50 0 IKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1OC ZINC000263586971 568760073 /nfs/dbraw/zinc/76/00/73/568760073.db2.gz AKVJMSDUBHWHQG-IBGZPJMESA-N 0 0 430.479 5.320 50 0 IKAARN CCOc1ccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CCC3)cc1 ZINC000004062389 568760080 /nfs/dbraw/zinc/76/00/80/568760080.db2.gz FRROLMPZPWDZMM-UHFFFAOYSA-N 0 0 437.590 5.697 50 0 IKAARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CC[C@@]1(CCOC(C)(C)OC1)O2 ZINC000004073269 568760466 /nfs/dbraw/zinc/76/04/66/568760466.db2.gz JPCPUGHXRFGTIL-YURJADMSSA-N 0 0 436.633 5.451 50 0 biogenic IKAARN O=C1C[C@H](c2c(Cl)nc3sccn32)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263588701 568761161 /nfs/dbraw/zinc/76/11/61/568761161.db2.gz XKDUSTMQJRPONJ-HNNXBMFYSA-N 0 0 432.936 5.526 50 0 IKAARN CCCCc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015390949 568761456 /nfs/dbraw/zinc/76/14/56/568761456.db2.gz NHCMDNGGMFMMOT-NRFANRHFSA-N 0 0 449.016 5.255 50 0 IKAARN CCc1cc([C@H](c2ccccc2Cl)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000001236009 568762318 /nfs/dbraw/zinc/76/23/18/568762318.db2.gz JUVOPAQSSMRCSV-QFIPXVFZSA-N 0 0 440.996 5.638 50 0 IKAARN CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 ZINC000005442564 568774397 /nfs/dbraw/zinc/77/43/97/568774397.db2.gz DYENHGWYSAJCPB-MHZLTWQESA-N 0 0 439.640 6.830 50 0 IKAARN CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 ZINC000005442561 568774405 /nfs/dbraw/zinc/77/44/05/568774405.db2.gz DYENHGWYSAJCPB-HHHXNRCGSA-N 0 0 439.640 6.830 50 0 IKAARN O=C(c1ccccc1Cl)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000001240313 568774529 /nfs/dbraw/zinc/77/45/29/568774529.db2.gz NQOFAJOEIOWIAU-SFHVURJKSA-N 0 0 429.701 5.687 50 0 IKAARN CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccccc3Br)cc21 ZINC000001244142 568774671 /nfs/dbraw/zinc/77/46/71/568774671.db2.gz HROQDCPLVAMJEV-UHFFFAOYSA-N 0 0 444.325 5.689 50 0 IKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000001248479 568774903 /nfs/dbraw/zinc/77/49/03/568774903.db2.gz WRTQJUZHVRUJNV-UHFFFAOYSA-N 0 0 449.240 6.097 50 0 IKAARN CC1(C)Cc2nc3sc(C(=O)N(c4ccccc4)c4ccccc4)c(N)c3cc2C(=O)C1 ZINC000001250261 568775015 /nfs/dbraw/zinc/77/50/15/568775015.db2.gz MJGWHIYUSGYLMU-UHFFFAOYSA-N 0 0 441.556 6.012 50 0 IKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)cc1 ZINC000001258936 568775210 /nfs/dbraw/zinc/77/52/10/568775210.db2.gz PAYZZBVUSYHHTN-UHFFFAOYSA-N 0 0 433.533 5.668 50 0 IKAARN CCCc1nc2sc3c(ncnc3SCC(=O)Nc3ccccn3)c2c2c1CCCC2 ZINC000001260272 568775388 /nfs/dbraw/zinc/77/53/88/568775388.db2.gz QQGVJTIXWFEIFA-UHFFFAOYSA-N 0 0 449.605 5.197 50 0 IKAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)c1 ZINC000263615463 568775968 /nfs/dbraw/zinc/77/59/68/568775968.db2.gz CNTYHBRHPITCDY-KRWDZBQOSA-N 0 0 430.361 5.030 50 0 IKAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC(C)C)cc5)no4)cc3CO2)cc1 ZINC000263615823 568776225 /nfs/dbraw/zinc/77/62/25/568776225.db2.gz FIZAARSONRTOEQ-QHCPKHFHSA-N 0 0 446.507 5.058 50 0 IKAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)c1 ZINC000263616379 568776472 /nfs/dbraw/zinc/77/64/72/568776472.db2.gz IJCTWSAMYRBZBS-QGZVFWFLSA-N 0 0 430.361 5.030 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N=C1c1ccc(C)cc1 ZINC000263616335 568776579 /nfs/dbraw/zinc/77/65/79/568776579.db2.gz IDJMNPVUBQZLOI-UHFFFAOYSA-N 0 0 426.973 5.237 50 0 IKAARN FC(F)(F)c1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263617285 568777033 /nfs/dbraw/zinc/77/70/33/568777033.db2.gz NBKOUFWCOKLAFU-GOSISDBHSA-N 0 0 446.816 5.544 50 0 IKAARN Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c2CO1 ZINC000263618524 568777724 /nfs/dbraw/zinc/77/77/24/568777724.db2.gz UEOKLHWIURXNTA-KRWDZBQOSA-N 0 0 430.361 5.030 50 0 IKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1/C=C\c1cc(Br)ccc1O ZINC000083296062 568778334 /nfs/dbraw/zinc/77/83/34/568778334.db2.gz IXGYSCRSDMBBKR-RAXLEYEMSA-N 0 0 433.305 5.333 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)c1 ZINC000001293629 568778581 /nfs/dbraw/zinc/77/85/81/568778581.db2.gz GBYCHDQQONXNFO-UHFFFAOYSA-N 0 0 433.533 5.668 50 0 IKAARN O=C(COc1ccccc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000001298868 568778610 /nfs/dbraw/zinc/77/86/10/568778610.db2.gz NMXVZZKXWSYLCC-UHFFFAOYSA-N 0 0 428.875 6.319 50 0 IKAARN Cn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)c(Cl)c1)COC(C)(C)C3 ZINC000001296865 568778744 /nfs/dbraw/zinc/77/87/44/568778744.db2.gz NSEQLWZPYAVDSI-UHFFFAOYSA-N 0 0 441.405 5.445 50 0 IKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001301988 568778974 /nfs/dbraw/zinc/77/89/74/568778974.db2.gz WRFBUCKFJMJFKL-UHFFFAOYSA-N 0 0 448.693 5.868 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1ccccc1OC ZINC000001302339 568778977 /nfs/dbraw/zinc/77/89/77/568778977.db2.gz JMGQBFSWTHWOHX-HNNXBMFYSA-N 0 0 425.506 5.006 50 0 IKAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000001301688 568779022 /nfs/dbraw/zinc/77/90/22/568779022.db2.gz WSRDASNPLOQHBS-HXUWFJFHSA-N 0 0 428.319 5.638 50 0 IKAARN Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1 ZINC000025742879 568779277 /nfs/dbraw/zinc/77/92/77/568779277.db2.gz XHPCNQFIIBHLHK-IBGZPJMESA-N 0 0 448.573 5.305 50 0 IKAARN COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4)cc(=O)c-3c2O)cc1OC ZINC000001317802 568779467 /nfs/dbraw/zinc/77/94/67/568779467.db2.gz LHCWCFLQWDNOEY-UHFFFAOYSA-N 0 0 438.863 5.415 50 0 biogenic IKAARN CCOC(=O)c1c2cc(OC(=O)c3cccc(OC)c3)ccc2oc1-c1ccc(OC)cc1 ZINC000001322999 568780250 /nfs/dbraw/zinc/78/02/50/568780250.db2.gz LCDYHAUGUHMVLL-UHFFFAOYSA-N 0 0 446.455 5.513 50 0 IKAARN COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)CCc1ccccc1 ZINC000032103441 568780819 /nfs/dbraw/zinc/78/08/19/568780819.db2.gz KOGZTXLFHBORPR-UHFFFAOYSA-N 0 0 433.577 5.599 50 0 IKAARN Cc1cccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccco2)c1 ZINC000004144519 568781916 /nfs/dbraw/zinc/78/19/16/568781916.db2.gz OWJJUBNTSUJXHX-UHFFFAOYSA-N 0 0 426.339 5.891 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccco1 ZINC000004144777 568781938 /nfs/dbraw/zinc/78/19/38/568781938.db2.gz QXBNXVIKDBOZRH-UHFFFAOYSA-N 0 0 449.885 6.800 50 0 IKAARN CCc1c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)[nH]c(C)c1C(C)=O ZINC000083817338 568782623 /nfs/dbraw/zinc/78/26/23/568782623.db2.gz FTHVQVRWZVLIRY-UHFFFAOYSA-N 0 0 430.430 5.498 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045942194 568783626 /nfs/dbraw/zinc/78/36/26/568783626.db2.gz NQHCOUXQNNWTBF-HSZRJFAPSA-N 0 0 435.520 5.609 50 0 IKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000045942008 568783646 /nfs/dbraw/zinc/78/36/46/568783646.db2.gz QCGDEARNYJHMHT-QHCPKHFHSA-N 0 0 435.976 6.423 50 0 IKAARN O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2cccc(C(F)(F)F)c2)c[nH]1 ZINC000001382113 568783831 /nfs/dbraw/zinc/78/38/31/568783831.db2.gz YBIBZOCHPBQBQT-UHFFFAOYSA-N 0 0 438.236 5.766 50 0 IKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1Cl ZINC000001382666 568784078 /nfs/dbraw/zinc/78/40/78/568784078.db2.gz WJWHAMNXXGFFOK-UHFFFAOYSA-N 0 0 427.136 5.346 50 0 IKAARN Fc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn32)cc1 ZINC000001382290 568784094 /nfs/dbraw/zinc/78/40/94/568784094.db2.gz WRGGZEWYNRWDAX-UHFFFAOYSA-N 0 0 425.798 5.149 50 0 IKAARN COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000001383704 568784139 /nfs/dbraw/zinc/78/41/39/568784139.db2.gz NCMWBYPPNXXARV-GIDUJCDVSA-N 0 0 438.321 5.689 50 0 IKAARN Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000001384113 568784251 /nfs/dbraw/zinc/78/42/51/568784251.db2.gz OATUGQVRSFARFU-VEXUSMLFSA-N 0 0 440.609 5.172 50 0 IKAARN CC(C)(C)c1ccc(CON2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001383946 568784265 /nfs/dbraw/zinc/78/42/65/568784265.db2.gz BHUKKPQREMVXPO-HDLCADABSA-N 0 0 437.539 5.308 50 0 IKAARN COc1ccc(OC)c2nc3c(cc12)CCc1c2ccccc2n(Cc2ccccc2C)c1-3 ZINC000001385166 568784355 /nfs/dbraw/zinc/78/43/55/568784355.db2.gz UVWZBBXZBFGSSB-UHFFFAOYSA-N 0 0 434.539 6.329 50 0 IKAARN Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1cc(Cl)cc(Cl)c1 ZINC000001385734 568784477 /nfs/dbraw/zinc/78/44/77/568784477.db2.gz RURNYQCOMYAROR-UHFFFAOYSA-N 0 0 431.201 5.033 50 0 IKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C(F)(F)F)c1 ZINC000001386112 568784513 /nfs/dbraw/zinc/78/45/13/568784513.db2.gz KOWJJSCOXXAIDZ-UHFFFAOYSA-N 0 0 438.236 5.766 50 0 IKAARN O=C(c1cccs1)n1ccc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000001390006 568784942 /nfs/dbraw/zinc/78/49/42/568784942.db2.gz HRCDIBFUBDIMQF-UHFFFAOYSA-N 0 0 429.328 6.186 50 0 IKAARN COc1ccc(NC(=O)Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000001389727 568785008 /nfs/dbraw/zinc/78/50/08/568785008.db2.gz KJYJFLGYUBQFBV-UHFFFAOYSA-N 0 0 436.817 5.964 50 0 IKAARN Cc1cc(C)n(-c2nc(-c3ccccc3)c(S(=O)(=O)c3ccc(Cl)cc3)s2)n1 ZINC000001390240 568785098 /nfs/dbraw/zinc/78/50/98/568785098.db2.gz BQWVLDAVKKOYAP-UHFFFAOYSA-N 0 0 429.954 5.099 50 0 IKAARN Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(Cl)cc2)c1Oc1ccc(Cl)cc1 ZINC000001391438 568785227 /nfs/dbraw/zinc/78/52/27/568785227.db2.gz AQISITOLJNJMPQ-UHFFFAOYSA-N 0 0 445.224 5.895 50 0 IKAARN O=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000001392109 568785267 /nfs/dbraw/zinc/78/52/67/568785267.db2.gz DXTVITRHZYBARQ-UHFFFAOYSA-N 0 0 439.787 5.957 50 0 IKAARN CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(C(C)(C)C)cc1 ZINC000001392468 568785270 /nfs/dbraw/zinc/78/52/70/568785270.db2.gz IBQAHDHHSSDQRG-UHFFFAOYSA-N 0 0 443.016 5.471 50 0 IKAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000001393240 568785347 /nfs/dbraw/zinc/78/53/47/568785347.db2.gz TZFKYOKIHWGUBA-UHFFFAOYSA-N 0 0 440.373 5.590 50 0 IKAARN Cc1ccc(N2C(=O)[C@H](CSc3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 ZINC000001394094 568785468 /nfs/dbraw/zinc/78/54/68/568785468.db2.gz DXGAUROYEGPQDM-FGZHOGPDSA-N 0 0 438.390 6.254 50 0 IKAARN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000001394771 568785498 /nfs/dbraw/zinc/78/54/98/568785498.db2.gz ZPWYMUWDYMZSRV-UHFFFAOYSA-N 0 0 443.912 5.073 50 0 IKAARN Cc1cc(C(=O)CSc2cccc(C(F)(F)F)c2)cc(C)c1OC(=S)N(C)C ZINC000001397549 568785708 /nfs/dbraw/zinc/78/57/08/568785708.db2.gz YVTFJAQSBFISBJ-UHFFFAOYSA-N 0 0 427.513 5.523 50 0 IKAARN COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1-c1cnc(C)nc1C(F)(F)F ZINC000001397891 568785666 /nfs/dbraw/zinc/78/56/66/568785666.db2.gz NCVZBAJQMZVJQT-UHFFFAOYSA-N 0 0 432.185 5.219 50 0 IKAARN COc1cc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2C)c(Cl)cc1Cl ZINC000001397937 568785688 /nfs/dbraw/zinc/78/56/88/568785688.db2.gz PTNDSAVCHGWUFR-UHFFFAOYSA-N 0 0 425.703 5.105 50 0 IKAARN COc1cc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nc2C)c(Cl)cc1Cl ZINC000001397940 568785711 /nfs/dbraw/zinc/78/57/11/568785711.db2.gz FGXOZJVHERCMIC-UHFFFAOYSA-N 0 0 445.228 5.162 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000001400058 568785879 /nfs/dbraw/zinc/78/58/79/568785879.db2.gz AKYPUSKCWUXTPY-UHFFFAOYSA-N 0 0 442.771 5.099 50 0 IKAARN Cc1cc(C)c(C(=O)N2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)c(C)c1 ZINC000001395417 568785907 /nfs/dbraw/zinc/78/59/07/568785907.db2.gz IMVCVUWNPXMYAJ-UHFFFAOYSA-N 0 0 441.497 6.041 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001400042 568785975 /nfs/dbraw/zinc/78/59/75/568785975.db2.gz AZOWOCXCVIHOGL-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3ccc(C(C)(C)C)cc3)n2n1 ZINC000001396365 568785994 /nfs/dbraw/zinc/78/59/94/568785994.db2.gz BGCPOAPSQGVYTI-UHFFFAOYSA-N 0 0 436.581 5.447 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001396422 568786065 /nfs/dbraw/zinc/78/60/65/568786065.db2.gz XNSIJFPYTXYWEO-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000001396471 568786109 /nfs/dbraw/zinc/78/61/09/568786109.db2.gz VTMKZUSRLJBCPC-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000001400661 568786230 /nfs/dbraw/zinc/78/62/30/568786230.db2.gz XNIQCJFJZXEQQL-UHFFFAOYSA-N 0 0 441.478 5.986 50 0 IKAARN Cc1nc(C(=O)Nc2ccc(C)cc2C)nn1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000001400992 568786236 /nfs/dbraw/zinc/78/62/36/568786236.db2.gz LICLWKNWENPIFY-UHFFFAOYSA-N 0 0 433.339 5.539 50 0 IKAARN Cn1nc(C(F)(F)F)c2cc(-c3nnc(SCc4ccc(Cl)cc4)o3)sc21 ZINC000001401895 568786410 /nfs/dbraw/zinc/78/64/10/568786410.db2.gz JHIIOPQUIREEKN-UHFFFAOYSA-N 0 0 430.864 5.649 50 0 IKAARN COc1ccc(CSc2nnc(-c3cc4c(C(F)(F)F)nn(C)c4s3)o2)cc1 ZINC000001401894 568786467 /nfs/dbraw/zinc/78/64/67/568786467.db2.gz RRQUHJRAIQPIAN-UHFFFAOYSA-N 0 0 426.445 5.005 50 0 IKAARN O=CNc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405018 568786876 /nfs/dbraw/zinc/78/68/76/568786876.db2.gz JSJPLUJPLKINKM-UHFFFAOYSA-N 0 0 443.301 5.133 50 0 IKAARN Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)cc1Cl ZINC000001405179 568786912 /nfs/dbraw/zinc/78/69/12/568786912.db2.gz XPBTYAJUDORYPP-UHFFFAOYSA-N 0 0 426.702 5.883 50 0 IKAARN Cc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3NC=O)n2)cc1 ZINC000001405024 568786951 /nfs/dbraw/zinc/78/69/51/568786951.db2.gz ZSYFXYWISHQBJZ-UHFFFAOYSA-N 0 0 439.338 5.302 50 0 IKAARN CC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 ZINC000001410113 568787448 /nfs/dbraw/zinc/78/74/48/568787448.db2.gz YSBBYOTWFWUSLC-ZEQRLZLVSA-N 0 0 437.580 5.451 50 0 IKAARN Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000032212148 568787474 /nfs/dbraw/zinc/78/74/74/568787474.db2.gz FMKXQXQSRGMREI-NRFANRHFSA-N 0 0 443.330 5.426 50 0 IKAARN O=C(Oc1cccc2c(OC(=O)c3ccccc3Cl)cccc12)c1ccccc1Cl ZINC000001837918 568787820 /nfs/dbraw/zinc/78/78/20/568787820.db2.gz SWTCHLICVNOBCR-UHFFFAOYSA-N 0 0 437.278 6.585 50 0 IKAARN O=C1c2ccc(Oc3ccc(Br)cc3)cc2C(=O)N1c1ccccc1Cl ZINC000001120905 568788022 /nfs/dbraw/zinc/78/80/22/568788022.db2.gz AMZLKWONXYQWNL-UHFFFAOYSA-N 0 0 428.669 5.695 50 0 IKAARN COc1cc(C(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc(OC)c1OC ZINC000001120715 568788092 /nfs/dbraw/zinc/78/80/92/568788092.db2.gz MGYCILCESLHKLV-DEOSSOPVSA-N 0 0 434.488 5.110 50 0 IKAARN O=c1c2ccccc2nc(CSc2nc(C3CC3)nc3ccccc32)n1-c1ccccc1 ZINC000002848450 568789486 /nfs/dbraw/zinc/78/94/86/568789486.db2.gz OLAHWIKPUIPHGB-UHFFFAOYSA-N 0 0 436.540 5.499 50 0 IKAARN Cc1sc(CNC(=O)c2ccc(C(F)(F)F)nc2C)nc1-c1ccc(Cl)cc1 ZINC000084028749 568790067 /nfs/dbraw/zinc/79/00/67/568790067.db2.gz AMUKWCILNDPTLJ-UHFFFAOYSA-N 0 0 425.863 5.424 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)c(OC)c1 ZINC000001413622 568790089 /nfs/dbraw/zinc/79/00/89/568790089.db2.gz NTWKCBAKUXXTIV-UHFFFAOYSA-N 0 0 431.439 5.699 50 0 IKAARN CC(=O)Oc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000001413639 568790181 /nfs/dbraw/zinc/79/01/81/568790181.db2.gz PQDOLCUSOZQRBI-UHFFFAOYSA-N 0 0 447.413 5.746 50 0 IKAARN COc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000001413271 568790216 /nfs/dbraw/zinc/79/02/16/568790216.db2.gz NKRNOYORVPRFRL-QHCPKHFHSA-N 0 0 431.879 5.194 50 0 IKAARN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004194040 568790577 /nfs/dbraw/zinc/79/05/77/568790577.db2.gz NOLLIEQHBFBVNA-MHZLTWQESA-N 0 0 428.576 5.892 50 0 IKAARN Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000084064802 568790810 /nfs/dbraw/zinc/79/08/10/568790810.db2.gz GXYXUDBGQADPEZ-MRXNPFEDSA-N 0 0 426.954 5.143 50 0 IKAARN COc1cc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)ccc1N1CCCC1=O ZINC000084064658 568790832 /nfs/dbraw/zinc/79/08/32/568790832.db2.gz PMHSRFZDDPWPPD-UHFFFAOYSA-N 0 0 447.969 5.221 50 0 IKAARN Cc1cc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc(C)c1Cl ZINC000084086113 568791913 /nfs/dbraw/zinc/79/19/13/568791913.db2.gz FKZQXOSUALPQOT-UHFFFAOYSA-N 0 0 430.213 5.362 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc3ccccc32)n2c(nc3ccccc32)N1 ZINC000001423653 568793625 /nfs/dbraw/zinc/79/36/25/568793625.db2.gz HMOOXPCJUYVSBY-SANMLTNESA-N 0 0 430.511 6.117 50 0 IKAARN Cc1ccc2c(c1Br)[C@@](O)(CC(=O)c1ccc(C3CCCCC3)cc1)C(=O)N2 ZINC000001425410 568793765 /nfs/dbraw/zinc/79/37/65/568793765.db2.gz ALHRVZPUXLEDRB-QHCPKHFHSA-N 0 0 442.353 5.218 50 0 IKAARN CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000001432449 568795263 /nfs/dbraw/zinc/79/52/63/568795263.db2.gz LPWHVFOMTTXQGR-UHFFFAOYSA-N 0 0 439.947 5.295 50 0 IKAARN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000084219734 568796207 /nfs/dbraw/zinc/79/62/07/568796207.db2.gz XGSFEAGGDWQRHR-HSZRJFAPSA-N 0 0 445.563 6.387 50 0 IKAARN Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)COc1ccc(Cl)cc1 ZINC000084224827 568796267 /nfs/dbraw/zinc/79/62/67/568796267.db2.gz PTSNGBHRUPPISU-UHFFFAOYSA-N 0 0 449.913 6.157 50 0 IKAARN COc1ccc(C)cc1CN(C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000015509909 568796294 /nfs/dbraw/zinc/79/62/94/568796294.db2.gz YLZJVLFEVJAFBH-UHFFFAOYSA-N 0 0 439.968 5.254 50 0 IKAARN CC(C)(C)c1nnc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)o1 ZINC000084325378 568797035 /nfs/dbraw/zinc/79/70/35/568797035.db2.gz PSJZHMAZFUTMJQ-UHFFFAOYSA-N 0 0 429.156 5.712 50 0 IKAARN O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCC[C@H](C(F)(F)F)C1 ZINC000084358105 568797128 /nfs/dbraw/zinc/79/71/28/568797128.db2.gz ZPDNXDNJMGCOEB-NSHDSACASA-N 0 0 447.226 5.190 50 0 IKAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 ZINC000084363760 568797342 /nfs/dbraw/zinc/79/73/42/568797342.db2.gz RHXIOUPFWSUEBZ-JSGCOSHPSA-N 0 0 443.263 5.487 50 0 IKAARN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000084392814 568797649 /nfs/dbraw/zinc/79/76/49/568797649.db2.gz SCBCPRWADSDPSV-HZMBPMFUSA-N 0 0 438.113 5.484 50 0 IKAARN CC(C)c1sc(NC(=O)c2nc(N3CCCC3)ncc2Cl)nc1-c1ccccc1 ZINC000084622420 568799081 /nfs/dbraw/zinc/79/90/81/568799081.db2.gz FUFJNTYUGDQSIT-UHFFFAOYSA-N 0 0 427.961 5.229 50 0 IKAARN O=C(c1ccc2cc[nH]c2c1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000084609993 568799135 /nfs/dbraw/zinc/79/91/35/568799135.db2.gz FVCQPHAMXJOPJB-UHFFFAOYSA-N 0 0 438.300 5.307 50 0 IKAARN O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000084603771 568799234 /nfs/dbraw/zinc/79/92/34/568799234.db2.gz BDAZVGFJAZZOON-IBGZPJMESA-N 0 0 443.450 5.236 50 0 IKAARN C[C@@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccc2c(c1)CC(=O)N2 ZINC000084651719 568799540 /nfs/dbraw/zinc/79/95/40/568799540.db2.gz PVJFJLXRZDQARR-MRVPVSSYSA-N 0 0 439.751 5.847 50 0 IKAARN O=C(CSc1ccccc1C(=O)NCCc1ccc(Cl)cc1)NCC1CCCCC1 ZINC000015617507 568800020 /nfs/dbraw/zinc/80/00/20/568800020.db2.gz ZZSGAMNSXUBVKC-UHFFFAOYSA-N 0 0 445.028 5.101 50 0 IKAARN Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1C ZINC000001436716 568800217 /nfs/dbraw/zinc/80/02/17/568800217.db2.gz RJBBHEWRCSTEBU-VWLOTQADSA-N 0 0 441.531 5.261 50 0 IKAARN O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015647074 568800903 /nfs/dbraw/zinc/80/09/03/568800903.db2.gz BBLVHFLMOYPYTI-LJQANCHMSA-N 0 0 428.479 5.739 50 0 IKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(CSC)nc2ccccc21 ZINC000015668537 568801647 /nfs/dbraw/zinc/80/16/47/568801647.db2.gz RZMIDTZWJCYNNL-UHFFFAOYSA-N 0 0 437.487 5.346 50 0 IKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000032425814 568801720 /nfs/dbraw/zinc/80/17/20/568801720.db2.gz XLALKWGZNQMFIU-INIZCTEOSA-N 0 0 427.595 5.133 50 0 IKAARN COc1ccc(-c2noc(CCCC(=O)Nc3c(C)cc(Br)cc3C)n2)cc1 ZINC000015669630 568801934 /nfs/dbraw/zinc/80/19/34/568801934.db2.gz IIMTYVHZANLGST-UHFFFAOYSA-N 0 0 444.329 5.086 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccc(F)c4)cc3)nc(C)n2)cc1 ZINC000015671221 568802298 /nfs/dbraw/zinc/80/22/98/568802298.db2.gz TUHJDCIQZFUSSD-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN CCN1c2cc(NC(=O)N3CCCc4ccccc43)ccc2Sc2ccccc2C1=O ZINC000015671854 568802992 /nfs/dbraw/zinc/80/29/92/568802992.db2.gz HLDKSRWKJOKVDL-UHFFFAOYSA-N 0 0 429.545 5.803 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000015672660 568803138 /nfs/dbraw/zinc/80/31/38/568803138.db2.gz AQAJTWDTAHUYGH-MIRXNBLZSA-N 0 0 449.620 5.434 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1C ZINC000015672966 568803293 /nfs/dbraw/zinc/80/32/93/568803293.db2.gz STLZXSSQWOVEOH-AREMUKBSSA-N 0 0 449.620 5.578 50 0 IKAARN CC(C)c1ccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000015672426 568803296 /nfs/dbraw/zinc/80/32/96/568803296.db2.gz JKDKGNQDWMGCKJ-AREMUKBSSA-N 0 0 449.620 5.694 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCCC1 ZINC000015672909 568803324 /nfs/dbraw/zinc/80/33/24/568803324.db2.gz IBZVSXRRVUQDTL-VWLOTQADSA-N 0 0 441.641 5.479 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCC1 ZINC000015672888 568803403 /nfs/dbraw/zinc/80/34/03/568803403.db2.gz XSMZGNYPZKIEIF-XMMPIXPASA-N 0 0 427.614 5.089 50 0 IKAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c(C)c1 ZINC000015672960 568803422 /nfs/dbraw/zinc/80/34/22/568803422.db2.gz JRBSBZRWFFYLSK-SANMLTNESA-N 0 0 449.620 5.578 50 0 IKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1c1cccc(F)c1 ZINC000015675454 568803637 /nfs/dbraw/zinc/80/36/37/568803637.db2.gz CXGJHLIRNWGLPF-VWLOTQADSA-N 0 0 437.515 5.022 50 0 IKAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000015675461 568803805 /nfs/dbraw/zinc/80/38/05/568803805.db2.gz LRSQGFGEPREZQW-MHZLTWQESA-N 0 0 447.579 5.187 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000015675587 568804113 /nfs/dbraw/zinc/80/41/13/568804113.db2.gz OEXOBNHQSKPYMT-AREMUKBSSA-N 0 0 439.600 5.401 50 0 IKAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675561 568804217 /nfs/dbraw/zinc/80/42/17/568804217.db2.gz NCZNJUQJZXPVIQ-MHZLTWQESA-N 0 0 447.579 5.187 50 0 IKAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(C1CCCCCC1)C2=O ZINC000015676631 568804325 /nfs/dbraw/zinc/80/43/25/568804325.db2.gz MXSPCVLLRSZMKL-SANMLTNESA-N 0 0 442.648 5.173 50 0 IKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000015677013 568804428 /nfs/dbraw/zinc/80/44/28/568804428.db2.gz LKTJZSNSBKUYIA-MUUNZHRXSA-N 0 0 443.591 5.285 50 0 IKAARN Cc1ccc(C)c(NC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1 ZINC000015679453 568805147 /nfs/dbraw/zinc/80/51/47/568805147.db2.gz JTRUNZNHIAKESS-UHFFFAOYSA-N 0 0 449.555 5.069 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3nc(-c4cccc(F)c4)n4c3CCCCC4)C[C@@H]2C)cc1 ZINC000015679107 568805463 /nfs/dbraw/zinc/80/54/63/568805463.db2.gz MPLBHGDREITMDF-FQEVSTJZSA-N 0 0 446.570 5.075 50 0 IKAARN CCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015679654 568805720 /nfs/dbraw/zinc/80/57/20/568805720.db2.gz ALKXJDFISNOGIP-MHZLTWQESA-N 0 0 435.612 5.399 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000015679819 568805845 /nfs/dbraw/zinc/80/58/45/568805845.db2.gz LMZHSRVDZCSORF-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN Fc1cccc(CSc2nc3cccnc3n2Cc2ccc(Br)cc2F)c1 ZINC000015679841 568805862 /nfs/dbraw/zinc/80/58/62/568805862.db2.gz SUCLQBQPWZFQEH-UHFFFAOYSA-N 0 0 446.320 5.813 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681338 568806471 /nfs/dbraw/zinc/80/64/71/568806471.db2.gz FCDKNRDRZUJBLP-UHFFFAOYSA-N 0 0 430.508 5.021 50 0 IKAARN CCc1ccc(CNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)cc1 ZINC000015682094 568806862 /nfs/dbraw/zinc/80/68/62/568806862.db2.gz UDLWFDAFYXGNOM-UHFFFAOYSA-N 0 0 426.516 5.721 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682130 568806919 /nfs/dbraw/zinc/80/69/19/568806919.db2.gz MFPFIGWMROAEMW-UHFFFAOYSA-N 0 0 430.479 5.607 50 0 IKAARN CCc1ccccc1NC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000015682218 568807091 /nfs/dbraw/zinc/80/70/91/568807091.db2.gz CTLODCQSNONMJV-UHFFFAOYSA-N 0 0 428.557 6.757 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3C)cc2)nc1COc1ccc(C)cc1 ZINC000015682153 568807122 /nfs/dbraw/zinc/80/71/22/568807122.db2.gz ZDQBNFZODJYLSM-UHFFFAOYSA-N 0 0 426.516 5.776 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCc3cccs3)cc2)nc1CSc1ccccc1 ZINC000015682261 568807150 /nfs/dbraw/zinc/80/71/50/568807150.db2.gz CJLRVDYFHJEKAE-UHFFFAOYSA-N 0 0 434.586 5.976 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)c1 ZINC000015729518 568813427 /nfs/dbraw/zinc/81/34/27/568813427.db2.gz CSWAYRMKFRTFIE-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)c1 ZINC000015729393 568813475 /nfs/dbraw/zinc/81/34/75/568813475.db2.gz PRWJTIYAXGLIRJ-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4C)ccc3c2C)c1 ZINC000015729390 568813498 /nfs/dbraw/zinc/81/34/98/568813498.db2.gz ZMXTVFLMLQOCKA-UHFFFAOYSA-N 0 0 429.472 5.550 50 0 IKAARN Cc1c2cc(NC(=O)c3ccc(Br)cc3)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729523 568813527 /nfs/dbraw/zinc/81/35/27/568813527.db2.gz OGQRQGUACMPULK-UHFFFAOYSA-N 0 0 448.316 6.295 50 0 IKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3c2C)c1 ZINC000015729522 568813538 /nfs/dbraw/zinc/81/35/38/568813538.db2.gz YHYJCLRACVNCCZ-UHFFFAOYSA-N 0 0 445.471 5.250 50 0 IKAARN COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)c(OC)cc1Cl ZINC000012809178 568813870 /nfs/dbraw/zinc/81/38/70/568813870.db2.gz GNDKKGAROJMCEL-UHFFFAOYSA-N 0 0 441.846 5.260 50 0 IKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000015732160 568815121 /nfs/dbraw/zinc/81/51/21/568815121.db2.gz SGQKSBHHZJNYRI-LJAQVGFWSA-N 0 0 449.598 7.355 50 0 IKAARN CCN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1cc(C)ccc1C ZINC000015733134 568815656 /nfs/dbraw/zinc/81/56/56/568815656.db2.gz WFHGOXGNLSDJJS-UHFFFAOYSA-N 0 0 441.575 5.807 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(C)c1C ZINC000015733541 568815829 /nfs/dbraw/zinc/81/58/29/568815829.db2.gz KFJZVZMSJFIWHL-QFIPXVFZSA-N 0 0 427.504 5.817 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733535 568815862 /nfs/dbraw/zinc/81/58/62/568815862.db2.gz XNBWOENAUHVYQN-INIZCTEOSA-N 0 0 433.895 5.771 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733511 568815864 /nfs/dbraw/zinc/81/58/64/568815864.db2.gz ODNNQTBELOGLHD-MRXNPFEDSA-N 0 0 433.895 5.771 50 0 IKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(C)c1C ZINC000015733540 568815881 /nfs/dbraw/zinc/81/58/81/568815881.db2.gz KFJZVZMSJFIWHL-JOCHJYFZSA-N 0 0 427.504 5.817 50 0 IKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)N1CCCc2ccccc21 ZINC000015733484 568815903 /nfs/dbraw/zinc/81/59/03/568815903.db2.gz PJBSWRQRSGDPBB-QHCPKHFHSA-N 0 0 439.515 5.540 50 0 IKAARN CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000001445195 568816078 /nfs/dbraw/zinc/81/60/78/568816078.db2.gz PWDKENAYFQNPIK-HSZRJFAPSA-N 0 0 448.567 5.847 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)CCCC3 ZINC000015735410 568816649 /nfs/dbraw/zinc/81/66/49/568816649.db2.gz KOQIKWVMIMGZTQ-HSZRJFAPSA-N 0 0 435.593 5.451 50 0 IKAARN COc1ccc2c(c1)CC[C@@H]1CN(C(=S)Nc3ccc(OCc4ccccc4)cc3)N=C21 ZINC000085388816 568816679 /nfs/dbraw/zinc/81/66/79/568816679.db2.gz GZMBSDUSRDLKMF-HXUWFJFHSA-N 0 0 443.572 5.253 50 0 IKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cc(F)cc(F)c1)CCCC3 ZINC000015735439 568816726 /nfs/dbraw/zinc/81/67/26/568816726.db2.gz GFFFOTMEUFGUCH-JOCHJYFZSA-N 0 0 441.547 5.720 50 0 IKAARN CC(C)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000015735348 568816732 /nfs/dbraw/zinc/81/67/32/568816732.db2.gz ZSKTUVNOYLKBSF-XMMPIXPASA-N 0 0 433.621 6.078 50 0 IKAARN CC[C@H](C)Sc1nnc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1CC ZINC000085392990 568816812 /nfs/dbraw/zinc/81/68/12/568816812.db2.gz ISPPTXPETFPMPC-INIZCTEOSA-N 0 0 440.594 5.047 50 0 IKAARN COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C(C)C)CCCC3 ZINC000015735643 568816839 /nfs/dbraw/zinc/81/68/39/568816839.db2.gz IIRFVJXRQRIIGL-XMMPIXPASA-N 0 0 449.620 6.479 50 0 IKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(Cl)c1C)CCCC3 ZINC000015735665 568816900 /nfs/dbraw/zinc/81/69/00/568816900.db2.gz VVSTWCKODUDMNJ-HXUWFJFHSA-N 0 0 440.012 6.878 50 0 IKAARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C(C)C)CCCC3 ZINC000015735588 568816967 /nfs/dbraw/zinc/81/69/67/568816967.db2.gz WSIDZXOAXWIHIA-HSZRJFAPSA-N 0 0 435.593 6.171 50 0 IKAARN FC(F)(F)c1cccc(-c2c[nH]nc2-c2nnc(Cc3ccncc3)c3ccccc32)c1 ZINC000085392067 568817013 /nfs/dbraw/zinc/81/70/13/568817013.db2.gz RQTBRWDZPLCJFM-UHFFFAOYSA-N 0 0 431.421 5.692 50 0 IKAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)c2n1 ZINC000015735998 568817016 /nfs/dbraw/zinc/81/70/16/568817016.db2.gz RTXGBRZUEISAPG-UHFFFAOYSA-N 0 0 449.558 5.756 50 0 IKAARN CCOC(=O)c1c2cc(OC)c(-c3cccnc3)cc2n(C2CCCCC2)c1CN(C)C ZINC000085393762 568817066 /nfs/dbraw/zinc/81/70/66/568817066.db2.gz KEHSDXPNQAPAFM-UHFFFAOYSA-N 0 0 435.568 5.455 50 0 IKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3c2=O)cc1 ZINC000001447937 568817308 /nfs/dbraw/zinc/81/73/08/568817308.db2.gz FNTXYAPJQMVTOF-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 biogenic IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000001448100 568817414 /nfs/dbraw/zinc/81/74/14/568817414.db2.gz HJYHNUCZYRXGEL-UHFFFAOYSA-N 0 0 430.456 5.649 50 0 IKAARN COc1ccc(-c2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1OC ZINC000001448054 568817426 /nfs/dbraw/zinc/81/74/26/568817426.db2.gz DFMXHYFHHPERCA-MDWZMJQESA-N 0 0 428.440 5.096 50 0 biogenic IKAARN COc1ccc(-c2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1OC ZINC000001448041 568817441 /nfs/dbraw/zinc/81/74/41/568817441.db2.gz FGSWYKNXHQPXFP-UHFFFAOYSA-N 0 0 436.847 5.350 50 0 biogenic IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1C ZINC000001448857 568817501 /nfs/dbraw/zinc/81/75/01/568817501.db2.gz OLXKBMWTPOHITG-OAQYLSRUSA-N 0 0 444.000 5.200 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1C ZINC000001448768 568817505 /nfs/dbraw/zinc/81/75/05/568817505.db2.gz JMESXJBPGPACPU-HSZRJFAPSA-N 0 0 438.593 5.755 50 0 IKAARN CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1 ZINC000001448098 568817516 /nfs/dbraw/zinc/81/75/16/568817516.db2.gz SZCCUUPUMOUBRI-UHFFFAOYSA-N 0 0 448.402 5.120 50 0 IKAARN CC[C@H](C(=O)NCC(C)C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405293 568817652 /nfs/dbraw/zinc/81/76/52/568817652.db2.gz YCLKZCUXSHKJEC-LJQANCHMSA-N 0 0 436.358 5.796 50 0 IKAARN CCCNC(=O)CCc1c(-c2ccc(OC)cc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000085410187 568817834 /nfs/dbraw/zinc/81/78/34/568817834.db2.gz KPKTVSSSBRDNBW-UHFFFAOYSA-N 0 0 447.966 5.789 50 0 IKAARN Cc1ccc(Oc2ccc3c4c(c(Oc5ccccc5)n3C)-c3ccccc3C(=O)c42)cc1 ZINC000085409364 568817842 /nfs/dbraw/zinc/81/78/42/568817842.db2.gz WDCAALXIOHAJKR-UHFFFAOYSA-N 0 0 431.491 7.283 50 0 IKAARN Cc1ccccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)NCc3ccco3)n2c1 ZINC000085409073 568817856 /nfs/dbraw/zinc/81/78/56/568817856.db2.gz IMWWUGOLOAKHHK-UHFFFAOYSA-N 0 0 435.527 5.819 50 0 IKAARN COC(=O)c1ccccc1CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1 ZINC000085408834 568817863 /nfs/dbraw/zinc/81/78/63/568817863.db2.gz SDDYHZXQCHUTAZ-UHFFFAOYSA-N 0 0 436.924 5.062 50 0 IKAARN CCCNC(=O)CCc1c(-c2cccc(OC)c2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000085409508 568817864 /nfs/dbraw/zinc/81/78/64/568817864.db2.gz YBXAOPJGXSFTHF-UHFFFAOYSA-N 0 0 427.548 5.444 50 0 IKAARN COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccc(F)cc1 ZINC000085411821 568818001 /nfs/dbraw/zinc/81/80/01/568818001.db2.gz STOIZOANMHTBKQ-OAQYLSRUSA-N 0 0 441.528 5.370 50 0 IKAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccc(F)cc1 ZINC000085412305 568818434 /nfs/dbraw/zinc/81/84/34/568818434.db2.gz ADUKFQFOALXOOA-NRFANRHFSA-N 0 0 441.528 5.370 50 0 IKAARN Cc1ccc2nc(-c3ccco3)nc(NCCNC(=O)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000085412348 568818486 /nfs/dbraw/zinc/81/84/86/568818486.db2.gz BVEJBFSRJCFADK-UHFFFAOYSA-N 0 0 428.536 5.338 50 0 IKAARN CC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(CCC(=O)NC4CC4)n3c2)cc1 ZINC000085420988 568819432 /nfs/dbraw/zinc/81/94/32/568819432.db2.gz UNVUFJBHGIZDAY-UHFFFAOYSA-N 0 0 437.543 5.391 50 0 IKAARN Brc1ccc(Cn2nnc3c2c(-c2ccccc2)nnc3-c2ccccc2)cc1 ZINC000085423577 568819660 /nfs/dbraw/zinc/81/96/60/568819660.db2.gz VGIMBDVFWBDQCM-UHFFFAOYSA-N 0 0 442.320 5.366 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccc(C(=O)OC)cc3)ccc2oc1-c1ccccc1 ZINC000001463691 568820062 /nfs/dbraw/zinc/82/00/62/568820062.db2.gz ZJFMSMMDAAZZHI-UHFFFAOYSA-N 0 0 430.456 5.642 50 0 biogenic IKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc2ccccc2o1 ZINC000001465683 568820195 /nfs/dbraw/zinc/82/01/95/568820195.db2.gz PKOFEOJEZWFNQW-UHFFFAOYSA-N 0 0 425.893 6.244 50 0 IKAARN O=C(Nc1ccc2c(c1)OCCO2)c1sc(Nc2ccccc2)nc1-c1ccccc1 ZINC000001466046 568820197 /nfs/dbraw/zinc/82/01/97/568820197.db2.gz OCSUKJOLOLVESL-UHFFFAOYSA-N 0 0 429.501 5.577 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1 ZINC000001467217 568820384 /nfs/dbraw/zinc/82/03/84/568820384.db2.gz WYYWTDXWWFCOST-QFIPXVFZSA-N 0 0 441.922 5.526 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1 ZINC000001467216 568820386 /nfs/dbraw/zinc/82/03/86/568820386.db2.gz WYYWTDXWWFCOST-JOCHJYFZSA-N 0 0 441.922 5.526 50 0 IKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc5c6c(cccc64)CC5)ccc3o2)cc1 ZINC000006075517 568821507 /nfs/dbraw/zinc/82/15/07/568821507.db2.gz QKFKXVDZHDMMCH-UHFFFAOYSA-N 0 0 446.550 7.296 50 0 IKAARN COc1ccc(-c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1OC ZINC000001473076 568821723 /nfs/dbraw/zinc/82/17/23/568821723.db2.gz UOTKOSPWRPBAHG-UHFFFAOYSA-N 0 0 429.520 5.162 50 0 IKAARN Cc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000015769664 568822162 /nfs/dbraw/zinc/82/21/62/568822162.db2.gz ZTWTUIUCCDZGDP-UHFFFAOYSA-N 0 0 426.358 5.546 50 0 IKAARN CCc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)c1 ZINC000015770967 568822486 /nfs/dbraw/zinc/82/24/86/568822486.db2.gz KUWAWJNYCBPPKX-UHFFFAOYSA-N 0 0 431.923 5.399 50 0 IKAARN Cc1c(C[NH2+]CCCN(C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000015776989 568823633 /nfs/dbraw/zinc/82/36/33/568823633.db2.gz RMNFMBMYLUTSMV-UHFFFAOYSA-N 0 0 439.987 5.121 50 0 IKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(Br)c2)cc1 ZINC000085590958 568825970 /nfs/dbraw/zinc/82/59/70/568825970.db2.gz YCARQMBVYFNRGB-UHFFFAOYSA-N 0 0 434.337 6.804 50 0 IKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc(Cl)cc(Cl)c1 ZINC000001499785 568828045 /nfs/dbraw/zinc/82/80/45/568828045.db2.gz LEGXJVBPVAITOK-UHFFFAOYSA-N 0 0 428.138 6.132 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)o2)c(C)c1 ZINC000085643970 568829142 /nfs/dbraw/zinc/82/91/42/568829142.db2.gz LDNWVNMTNMEPLK-UHFFFAOYSA-N 0 0 428.897 5.241 50 0 IKAARN Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)c(Cl)c4)o3)n2)cc1 ZINC000085644263 568829202 /nfs/dbraw/zinc/82/92/02/568829202.db2.gz PHSAAYXLIMMPIM-UHFFFAOYSA-N 0 0 428.897 5.241 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)c1C ZINC000015785085 568829762 /nfs/dbraw/zinc/82/97/62/568829762.db2.gz MOXIJFAUHOQUBB-UHFFFAOYSA-N 0 0 429.495 5.213 50 0 IKAARN O=C(Nc1ccc(Br)cc1F)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785073 568829766 /nfs/dbraw/zinc/82/97/66/568829766.db2.gz VGBSHNQKUMXOMK-UHFFFAOYSA-N 0 0 429.220 5.788 50 0 IKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000085649248 568830798 /nfs/dbraw/zinc/83/07/98/568830798.db2.gz DAKFBBYWVFYRSC-UHFFFAOYSA-N 0 0 428.580 5.650 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649417 568830804 /nfs/dbraw/zinc/83/08/04/568830804.db2.gz FAANKHSVIFGTNB-UHFFFAOYSA-N 0 0 440.522 6.621 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccccc4Cl)cc3)n2)cc1 ZINC000085649658 568831046 /nfs/dbraw/zinc/83/10/46/568831046.db2.gz PUVWXRMEWDHTNX-UHFFFAOYSA-N 0 0 428.923 5.779 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1Cl ZINC000085649649 568831090 /nfs/dbraw/zinc/83/10/90/568831090.db2.gz FSKPPZXGAWOMPA-UHFFFAOYSA-N 0 0 444.922 6.110 50 0 IKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1OC ZINC000085649625 568831095 /nfs/dbraw/zinc/83/10/95/568831095.db2.gz OPQWDEDWHPPGOV-UHFFFAOYSA-N 0 0 440.503 5.465 50 0 IKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)n2)cc1 ZINC000085649632 568831125 /nfs/dbraw/zinc/83/11/25/568831125.db2.gz KVZBXOHVUMAQCH-UHFFFAOYSA-N 0 0 432.886 6.240 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000085651528 568831473 /nfs/dbraw/zinc/83/14/73/568831473.db2.gz HAKMGRMPKSDYCG-UHFFFAOYSA-N 0 0 435.833 5.694 50 0 IKAARN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000015785711 568831795 /nfs/dbraw/zinc/83/17/95/568831795.db2.gz JYBAQGJAPYRWEI-RUZDIDTESA-N 0 0 427.891 5.794 50 0 IKAARN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000015785712 568832071 /nfs/dbraw/zinc/83/20/71/568832071.db2.gz JYBAQGJAPYRWEI-VWLOTQADSA-N 0 0 427.891 5.794 50 0 IKAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCCC4=CCCCC4)ccc3[nH]2)cc1 ZINC000085653712 568832239 /nfs/dbraw/zinc/83/22/39/568832239.db2.gz ZGPVFJCWJVSHAM-UHFFFAOYSA-N 0 0 444.579 5.317 50 0 IKAARN Cc1c2cc(S(=O)(=O)Nc3ccccc3)ccc2oc1-c1nc(-c2ccc(F)cc2)no1 ZINC000085654784 568834037 /nfs/dbraw/zinc/83/40/37/568834037.db2.gz XWXDWCHLCDIXLE-UHFFFAOYSA-N 0 0 449.463 5.398 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(I)ccc1Cl ZINC000001506183 568834259 /nfs/dbraw/zinc/83/42/59/568834259.db2.gz ALHWNKCIAIJYNC-UHFFFAOYSA-N 0 0 426.468 5.504 50 0 IKAARN Cc1oc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)nc1CN1CCc2ccccc21 ZINC000015785951 568834376 /nfs/dbraw/zinc/83/43/76/568834376.db2.gz UBSMDPHPLMJDMS-UHFFFAOYSA-N 0 0 441.575 5.833 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccc(OCC)cc2)C2CCCCC2)c1C ZINC000085711368 568835013 /nfs/dbraw/zinc/83/50/13/568835013.db2.gz KAELEGBMKIYEIR-UHFFFAOYSA-N 0 0 426.557 5.182 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Cc2ccc(F)cc2)c1C ZINC000085711091 568835015 /nfs/dbraw/zinc/83/50/15/568835015.db2.gz FDGAPYNCEYHCHZ-UHFFFAOYSA-N 0 0 436.527 5.027 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2cccc(SC)c2)C2CCCCC2)c1C ZINC000085712379 568835521 /nfs/dbraw/zinc/83/55/21/568835521.db2.gz KBTAVQDRQRQZGM-UHFFFAOYSA-N 0 0 443.613 5.897 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc(F)cc2)c1C ZINC000085711650 568835793 /nfs/dbraw/zinc/83/57/93/568835793.db2.gz PTWONALLFHDLMN-UHFFFAOYSA-N 0 0 442.918 5.443 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2Cl)C(=O)c2ccccc2F)c1C ZINC000085711814 568835903 /nfs/dbraw/zinc/83/59/03/568835903.db2.gz FBZXDQSDUQMOAR-UHFFFAOYSA-N 0 0 442.918 5.443 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(-c3ccccc3)cc1)CC(=O)N2 ZINC000001509791 568836064 /nfs/dbraw/zinc/83/60/64/568836064.db2.gz LPTBYMNSNVHQNO-NDEPHWFRSA-N 0 0 432.523 5.846 50 0 IKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)Nc2cccc(C)c2C)c1C ZINC000085711841 568836095 /nfs/dbraw/zinc/83/60/95/568836095.db2.gz KNHBCEDZWKFKBH-UHFFFAOYSA-N 0 0 447.579 5.968 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002259483 568838394 /nfs/dbraw/zinc/83/83/94/568838394.db2.gz QKGGEQBLXJPEHM-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001514531 568839355 /nfs/dbraw/zinc/83/93/55/568839355.db2.gz HAZCROFMYAJNGW-KRWDZBQOSA-N 0 0 437.327 5.283 50 0 IKAARN O=C1c2ccccc2C(=O)N1c1ccc(Oc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000001514874 568839363 /nfs/dbraw/zinc/83/93/63/568839363.db2.gz VFUBOEMFURKZTM-UHFFFAOYSA-N 0 0 427.485 5.163 50 0 IKAARN COC(=O)c1c(NCCCN2CCCc3ccccc32)onc1-c1ccc(Cl)cc1 ZINC000015821765 568839865 /nfs/dbraw/zinc/83/98/65/568839865.db2.gz QKZCEAFLLOYNSL-UHFFFAOYSA-N 0 0 425.916 5.036 50 0 IKAARN O=C(c1ccccc1Br)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015822519 568839977 /nfs/dbraw/zinc/83/99/77/568839977.db2.gz VXHQYPCHAMNDFE-HSZRJFAPSA-N 0 0 449.323 5.857 50 0 IKAARN O=C(c1ccc(Br)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000015822507 568840054 /nfs/dbraw/zinc/84/00/54/568840054.db2.gz XPOLQVHFIKXOQF-QHCPKHFHSA-N 0 0 431.333 5.718 50 0 biogenic IKAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000015823843 568840256 /nfs/dbraw/zinc/84/02/56/568840256.db2.gz ZMPAAVMEJALSGI-UHFFFAOYSA-N 0 0 449.985 5.127 50 0 IKAARN O=C(CSc1nccn1Cc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000015825509 568840586 /nfs/dbraw/zinc/84/05/86/568840586.db2.gz ARPOTAGAZFCWHB-UHFFFAOYSA-N 0 0 425.863 5.334 50 0 IKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)N1CCc2ccccc21 ZINC000015824607 568840634 /nfs/dbraw/zinc/84/06/34/568840634.db2.gz BKPNJZDIVASKDI-UHFFFAOYSA-N 0 0 440.952 5.004 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)cc1F ZINC000015827480 568840962 /nfs/dbraw/zinc/84/09/62/568840962.db2.gz CSGZQQUQNOEOIE-UHFFFAOYSA-N 0 0 435.499 5.538 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC ZINC000001518388 568841086 /nfs/dbraw/zinc/84/10/86/568841086.db2.gz LOHBSRAVRCKLKT-UHFFFAOYSA-N 0 0 439.320 5.395 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(SC3CCCCC3)c2c1 ZINC000015828733 568841258 /nfs/dbraw/zinc/84/12/58/568841258.db2.gz GUOJFVWKVJLNPD-UHFFFAOYSA-N 0 0 448.009 6.154 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(Sc3ccccc3)c2c1 ZINC000015828729 568841301 /nfs/dbraw/zinc/84/13/01/568841301.db2.gz JSNFOPKWOYDTTR-UHFFFAOYSA-N 0 0 425.506 5.367 50 0 IKAARN Cc1ccc(C(=O)Nc2c(Br)cc(Br)cc2Br)cc1 ZINC000000640488 568841613 /nfs/dbraw/zinc/84/16/13/568841613.db2.gz LKKUEZGKQHDRMK-UHFFFAOYSA-N 0 0 447.952 5.535 50 0 IKAARN CCC(C)(c1ccc(OC(=O)c2ccco2)cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000000638690 568841658 /nfs/dbraw/zinc/84/16/58/568841658.db2.gz NISOKQRXHXDYOQ-UHFFFAOYSA-N 0 0 430.456 6.027 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Nc1cc(Br)ccc1Br ZINC000000641839 568841710 /nfs/dbraw/zinc/84/17/10/568841710.db2.gz OYXNQAFIZBAHHQ-UHFFFAOYSA-N 0 0 434.515 5.518 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2c1ccc1cc(OC)ccc12 ZINC000004542220 568841814 /nfs/dbraw/zinc/84/18/14/568841814.db2.gz MUIRUUNEWUHAFP-UHFFFAOYSA-N 0 0 449.506 6.176 50 0 IKAARN O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2)c1)Nc1ccccc1C(F)(F)F ZINC000004542160 568841863 /nfs/dbraw/zinc/84/18/63/568841863.db2.gz IODWXJCMEMHPFS-JLHYYAGUSA-N 0 0 431.841 6.590 50 0 IKAARN O=C(CCc1ccc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)cc1Cl ZINC000004542711 568841876 /nfs/dbraw/zinc/84/18/76/568841876.db2.gz RICWJUDMIUIABV-UHFFFAOYSA-N 0 0 439.136 6.587 50 0 IKAARN CCOc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(OCC)cc2)cc1 ZINC000005330109 568841995 /nfs/dbraw/zinc/84/19/95/568841995.db2.gz WUOQOXCMMVFWOQ-UHFFFAOYSA-N 0 0 440.584 6.182 50 0 IKAARN Cc1ccc(NC(=O)Oc2ccc(Cl)cc2)cc1NC(=O)Oc1ccc(Cl)cc1 ZINC000002161987 568842011 /nfs/dbraw/zinc/84/20/11/568842011.db2.gz IFRNSPYXENSBIG-UHFFFAOYSA-N 0 0 431.275 6.524 50 0 IKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000036372911 568842415 /nfs/dbraw/zinc/84/24/15/568842415.db2.gz MMVXZRVACCTCHY-WMZHIEFXSA-N 0 0 439.298 5.964 50 0 IKAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028064608 568842739 /nfs/dbraw/zinc/84/27/39/568842739.db2.gz YBUJFCSSQSKNMT-NRFANRHFSA-N 0 0 436.005 7.189 50 0 IKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccn3)cc2)cc1)Oc1ccccn1 ZINC000025693875 568842740 /nfs/dbraw/zinc/84/27/40/568842740.db2.gz UYIOUGCZSJMJNL-UHFFFAOYSA-N 0 0 440.459 5.289 50 0 IKAARN CCCN(CCC)C(=S)SCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000039959668 568842917 /nfs/dbraw/zinc/84/29/17/568842917.db2.gz MYPJSZIUPJJYEV-QFIPXVFZSA-N 0 0 439.650 5.504 50 0 IKAARN CCOC(=O)CN(C(C)=O)c1c2ccccc2oc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000043191030 568842953 /nfs/dbraw/zinc/84/29/53/568842953.db2.gz FRUSJYRFXDBYQC-UHFFFAOYSA-N 0 0 441.483 5.247 50 0 IKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)n2)c(O)c1 ZINC000039959712 568842976 /nfs/dbraw/zinc/84/29/76/568842976.db2.gz YQIOTMKBPLTKOY-HXUWFJFHSA-N 0 0 433.558 5.942 50 0 IKAARN Cc1ccc([C@@H](CC(=O)c2cccs2)Sc2nnc(Cc3cccs3)n2N)cc1 ZINC000045067840 568843103 /nfs/dbraw/zinc/84/31/03/568843103.db2.gz JYEKXZUSBDVCQU-LJQANCHMSA-N 0 0 440.619 5.121 50 0 IKAARN O=C1CCCC1(CC/C=C/CSc1ccccc1)CC/C=C/CSc1ccccc1 ZINC000043762898 568843165 /nfs/dbraw/zinc/84/31/65/568843165.db2.gz RAVRDCRPQAXQOY-HMMKTVFPSA-N 0 0 436.686 7.983 50 0 IKAARN CC1(C)CC(=O)C[C@]2(C1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000100729055 568843402 /nfs/dbraw/zinc/84/34/02/568843402.db2.gz HCTSMTJNYAKKHU-NFBKMPQASA-N 0 0 429.347 6.495 50 0 IKAARN CCO[C@@H]1C=C2C(C)(C)C=C[C@@]2(C)[C@]2(O)[C@H]3C[C@@H](C)[C@H](OCc4ccccc4)[C@H]3C[C@]12C ZINC000071786752 568843561 /nfs/dbraw/zinc/84/35/61/568843561.db2.gz JZJNDCICVNQKOK-KICNEXKKSA-N 0 0 436.636 5.933 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc(C)n2)cc1 ZINC000015838372 568844473 /nfs/dbraw/zinc/84/44/73/568844473.db2.gz IXMSSJAEOBYYKW-UHFFFAOYSA-N 0 0 443.938 6.486 50 0 IKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)nc(C)n2)cc1 ZINC000015838368 568844478 /nfs/dbraw/zinc/84/44/78/568844478.db2.gz NOMFCONAMOALPK-UHFFFAOYSA-N 0 0 443.938 6.486 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O ZINC000006134449 568845013 /nfs/dbraw/zinc/84/50/13/568845013.db2.gz UQBPFSCOSHJKMO-KCQSEKJDSA-N 0 0 437.543 5.669 50 0 IKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc1 ZINC000006143791 568845820 /nfs/dbraw/zinc/84/58/20/568845820.db2.gz HCPYBZNIRCSBJX-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN Cc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc1 ZINC000006144047 568845857 /nfs/dbraw/zinc/84/58/57/568845857.db2.gz NCLSUCSNIBYBRQ-UHFFFAOYSA-N 0 0 441.314 6.769 50 0 IKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000006146675 568846252 /nfs/dbraw/zinc/84/62/52/568846252.db2.gz ZFECLBZPQNTKHY-UHFFFAOYSA-N 0 0 430.529 5.510 50 0 IKAARN CCOc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccc(Cl)cc2)cc1 ZINC000015858716 568846598 /nfs/dbraw/zinc/84/65/98/568846598.db2.gz WTPQUPAIONKEEC-UHFFFAOYSA-N 0 0 443.934 5.839 50 0 IKAARN Cc1cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)ccc1Br ZINC000006148279 568846625 /nfs/dbraw/zinc/84/66/25/568846625.db2.gz VNWRXYUYLIVOGZ-UHFFFAOYSA-N 0 0 433.284 5.846 50 0 IKAARN CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859340 568847115 /nfs/dbraw/zinc/84/71/15/568847115.db2.gz CZUNPYISDNKRJA-QHCPKHFHSA-N 0 0 448.544 5.422 50 0 IKAARN CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859339 568847257 /nfs/dbraw/zinc/84/72/57/568847257.db2.gz CZUNPYISDNKRJA-HSZRJFAPSA-N 0 0 448.544 5.422 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 ZINC000015859482 568847634 /nfs/dbraw/zinc/84/76/34/568847634.db2.gz XWHHORWBIDKAID-DEOSSOPVSA-N 0 0 446.934 5.760 50 0 IKAARN COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCOCC2)c1 ZINC000015859465 568847647 /nfs/dbraw/zinc/84/76/47/568847647.db2.gz GZFRTTJNBFIHSB-RUZDIDTESA-N 0 0 442.515 5.115 50 0 IKAARN O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)N1CCOCC1)c1cccs1 ZINC000015859408 568847716 /nfs/dbraw/zinc/84/77/16/568847716.db2.gz DNUIDTXEHFWPPY-QFIPXVFZSA-N 0 0 436.508 5.307 50 0 IKAARN Cc1cccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3cc(F)ccc32)c1 ZINC000015860966 568848065 /nfs/dbraw/zinc/84/80/65/568848065.db2.gz XFZXQCNOTCNAGD-UHFFFAOYSA-N 0 0 425.507 5.464 50 0 IKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)N[C@H](c3cccs3)C(C)C)cc2s1 ZINC000015861845 568848166 /nfs/dbraw/zinc/84/81/66/568848166.db2.gz ACGKXJMBZOFBMV-NRFANRHFSA-N 0 0 429.611 5.543 50 0 IKAARN CCCOc1ccc(CNC(=O)CCc2ccc3nc(NC(=O)CCC)sc3c2)cc1 ZINC000015861855 568848229 /nfs/dbraw/zinc/84/82/29/568848229.db2.gz MFJYQZNFRBWWLH-UHFFFAOYSA-N 0 0 439.581 5.073 50 0 IKAARN O=C(Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)c1n[nH]c2c1CCc1ccccc1-2 ZINC000015863887 568849460 /nfs/dbraw/zinc/84/94/60/568849460.db2.gz LXJHYJOISQZAAR-UHFFFAOYSA-N 0 0 433.515 5.089 50 0 IKAARN CCOC(=O)c1c(C)n(-c2ccc(OC)c(Cl)c2)c2ccc(OC(=O)C=C(C)C)cc21 ZINC000001522209 568849743 /nfs/dbraw/zinc/84/97/43/568849743.db2.gz GTYHPEAXQNUVSO-UHFFFAOYSA-N 0 0 441.911 5.649 50 0 IKAARN CCCC(=O)Nc1ccc2nc(SCc3cc(=O)c4cc(Cl)ccc4[nH]3)sc2c1 ZINC000015865302 568850110 /nfs/dbraw/zinc/85/01/10/568850110.db2.gz GDWLPPINPPQGKU-UHFFFAOYSA-N 0 0 443.981 5.822 50 0 IKAARN CCC(=O)Nc1ccc2nc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)sc2c1 ZINC000015865297 568850129 /nfs/dbraw/zinc/85/01/29/568850129.db2.gz YOHBVRRAXMOBJR-UHFFFAOYSA-N 0 0 429.954 5.432 50 0 IKAARN CCc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000015865522 568850346 /nfs/dbraw/zinc/85/03/46/568850346.db2.gz WQFFQRDJWPMWGN-UHFFFAOYSA-N 0 0 448.910 5.133 50 0 IKAARN CCc1nc2c3ccccc3oc2c(Oc2ccc(Cl)cc2[C@@H](C)c2ccccc2)n1 ZINC000015866549 568850762 /nfs/dbraw/zinc/85/07/62/568850762.db2.gz DABDGPQXZOCSHO-INIZCTEOSA-N 0 0 428.919 7.536 50 0 IKAARN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000006173640 568850895 /nfs/dbraw/zinc/85/08/95/568850895.db2.gz KSLOYHGQFBPCJU-UHFFFAOYSA-N 0 0 430.529 6.009 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(Cl)c4)nc3n2)cc1 ZINC000015868180 568851052 /nfs/dbraw/zinc/85/10/52/568851052.db2.gz VOHDOYIZZRKARL-UHFFFAOYSA-N 0 0 445.832 5.333 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C(C)C)cc4)nc3n2)cc1 ZINC000015868189 568851146 /nfs/dbraw/zinc/85/11/46/568851146.db2.gz UNHUAHWDDUBMCC-UHFFFAOYSA-N 0 0 439.441 5.494 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868297 568851208 /nfs/dbraw/zinc/85/12/08/568851208.db2.gz XKMKRASBDVQDJU-CQSZACIVSA-N 0 0 443.359 5.880 50 0 IKAARN Cc1ccc2oc(SCC(=O)Nc3ccccc3SCc3ccc(F)cc3)nc2n1 ZINC000015867828 568851211 /nfs/dbraw/zinc/85/12/11/568851211.db2.gz ABNYSEPUOJDFAJ-UHFFFAOYSA-N 0 0 439.537 5.693 50 0 IKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000015868351 568851286 /nfs/dbraw/zinc/85/12/86/568851286.db2.gz OBELAMAJXXGECA-CYBMUJFWSA-N 0 0 443.359 5.880 50 0 IKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000015868302 568851308 /nfs/dbraw/zinc/85/13/08/568851308.db2.gz ZYTXBGHTPHJWRK-GFCCVEGCSA-N 0 0 429.332 5.571 50 0 IKAARN CC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2s1 ZINC000015870103 568851444 /nfs/dbraw/zinc/85/14/44/568851444.db2.gz SLHJPQSUCSRWJN-UHFFFAOYSA-N 0 0 429.567 5.103 50 0 IKAARN CCc1ccccc1S(=O)(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015870281 568851598 /nfs/dbraw/zinc/85/15/98/568851598.db2.gz PSOMZRVELDFASI-UHFFFAOYSA-N 0 0 443.594 5.178 50 0 IKAARN CCn1c(CCc2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)nc2ccccc21 ZINC000015870462 568851756 /nfs/dbraw/zinc/85/17/56/568851756.db2.gz VTJMZCQEOZBFQB-UHFFFAOYSA-N 0 0 433.577 5.259 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870261 568851777 /nfs/dbraw/zinc/85/17/77/568851777.db2.gz VUFLMPKNPORIDY-UHFFFAOYSA-N 0 0 443.594 5.178 50 0 IKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000015870623 568851882 /nfs/dbraw/zinc/85/18/82/568851882.db2.gz XWZRHEZCPLGEJC-UHFFFAOYSA-N 0 0 433.577 5.112 50 0 IKAARN CCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3CC)c2)cc1 ZINC000015870485 568851970 /nfs/dbraw/zinc/85/19/70/568851970.db2.gz GXFAWHXUJHYLAT-UHFFFAOYSA-N 0 0 433.577 5.205 50 0 IKAARN CCc1ccccc1S(=O)(=O)Nc1ccc(CCc2nc3ccccc3n2CC)cc1 ZINC000015870621 568851993 /nfs/dbraw/zinc/85/19/93/568851993.db2.gz JVNKWOPXCRSMIF-UHFFFAOYSA-N 0 0 433.577 5.205 50 0 IKAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000026125529 568852482 /nfs/dbraw/zinc/85/24/82/568852482.db2.gz MWUBQYUZJQKKAX-XMMPIXPASA-N 0 0 430.573 5.071 50 0 IKAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1Cl ZINC000015880722 568854243 /nfs/dbraw/zinc/85/42/43/568854243.db2.gz RPYSZVOBMYGUBQ-UHFFFAOYSA-N 0 0 435.336 5.584 50 0 IKAARN CCOc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000015880649 568854868 /nfs/dbraw/zinc/85/48/68/568854868.db2.gz KVZIWOCMRVDBTB-UHFFFAOYSA-N 0 0 430.917 5.020 50 0 IKAARN COC(=O)c1ccccc1NC(=O)c1c2cc(OC)ccc2oc1-c1ccc(OC)cc1 ZINC000015880507 568854976 /nfs/dbraw/zinc/85/49/76/568854976.db2.gz ISWFICMRPBGMKE-UHFFFAOYSA-N 0 0 431.444 5.156 50 0 IKAARN CC(=O)Nc1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 ZINC000015881195 568855176 /nfs/dbraw/zinc/85/51/76/568855176.db2.gz LGKMTYNMEIWUDO-UHFFFAOYSA-N 0 0 430.504 5.190 50 0 IKAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000015881573 568855355 /nfs/dbraw/zinc/85/53/55/568855355.db2.gz AIYDIOVRYSUTNP-UHFFFAOYSA-N 0 0 442.441 5.547 50 0 IKAARN CCCCOc1ccc(C(=O)NCCc2sc3nc(-c4ccc(C)cc4)nn3c2C)cc1 ZINC000015882099 568856452 /nfs/dbraw/zinc/85/64/52/568856452.db2.gz TXKNNKYPLSYBQF-UHFFFAOYSA-N 0 0 448.592 5.226 50 0 IKAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000015882499 568857058 /nfs/dbraw/zinc/85/70/58/568857058.db2.gz BRIBEXZHRANKBE-UHFFFAOYSA-N 0 0 436.558 5.318 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000015882877 568857403 /nfs/dbraw/zinc/85/74/03/568857403.db2.gz HZHLKCOTWJFHLM-UHFFFAOYSA-N 0 0 425.326 5.035 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000015883372 568857645 /nfs/dbraw/zinc/85/76/45/568857645.db2.gz MTCUYVCEJPLWPA-UHFFFAOYSA-N 0 0 431.923 5.474 50 0 IKAARN Cc1cc(C)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000015913188 568858625 /nfs/dbraw/zinc/85/86/25/568858625.db2.gz GONKGRMZKHBRDG-LJQANCHMSA-N 0 0 433.499 5.062 50 0 IKAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccccc1C(C)C ZINC000015950175 568859617 /nfs/dbraw/zinc/85/96/17/568859617.db2.gz RFCZAJUCBGETGM-UHFFFAOYSA-N 0 0 448.519 5.097 50 0 IKAARN CN1c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000583649128 568860347 /nfs/dbraw/zinc/86/03/47/568860347.db2.gz ZDICUCITUOHEIW-GOSISDBHSA-N 0 0 437.849 5.013 50 0 IKAARN COc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(OC)cc1Cl ZINC000015970739 568861503 /nfs/dbraw/zinc/86/15/03/568861503.db2.gz KUPLRZNPZIADFK-UHFFFAOYSA-N 0 0 430.502 5.618 50 0 IKAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000015978060 568861700 /nfs/dbraw/zinc/86/17/00/568861700.db2.gz CQPRZUITCUTEIK-UHFFFAOYSA-N 0 0 443.616 6.253 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1ccc2ccccc2n1 ZINC000015980245 568861845 /nfs/dbraw/zinc/86/18/45/568861845.db2.gz WWJQDFHFXOTDDC-UHFFFAOYSA-N 0 0 448.569 5.871 50 0 IKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1c(C)cccc1C ZINC000012940251 568868401 /nfs/dbraw/zinc/86/84/01/568868401.db2.gz MJMUYLMNNYVXHG-UHFFFAOYSA-N 0 0 426.592 5.742 50 0 IKAARN O=C(c1ccc(F)cc1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl ZINC000575443245 568869085 /nfs/dbraw/zinc/86/90/85/568869085.db2.gz RCJLWXVJIGEWSF-UHFFFAOYSA-N 0 0 441.293 6.505 50 0 IKAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000016047937 568869151 /nfs/dbraw/zinc/86/91/51/568869151.db2.gz VHMWCQPXASJEOE-UHFFFAOYSA-N 0 0 436.558 5.074 50 0 IKAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000016047934 568869192 /nfs/dbraw/zinc/86/91/92/568869192.db2.gz VSJPBMMMAIJMOJ-UHFFFAOYSA-N 0 0 436.558 5.074 50 0 IKAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000016047935 568869271 /nfs/dbraw/zinc/86/92/71/568869271.db2.gz BYQGKLNZXHRURJ-UHFFFAOYSA-N 0 0 436.558 5.074 50 0 IKAARN CC(C)(C)NC(=O)C1(N(CCc2c[nH]c3ccccc23)C(=O)Cc2ccccc2)CCCC1 ZINC000575443918 568869842 /nfs/dbraw/zinc/86/98/42/568869842.db2.gz WYXWJRJINAJTDN-UHFFFAOYSA-N 0 0 445.607 5.009 50 0 IKAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000016088192 568870331 /nfs/dbraw/zinc/87/03/31/568870331.db2.gz JKWRFXGZWHAWQC-GFCCVEGCSA-N 0 0 427.378 5.171 50 0 IKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000012945141 568870612 /nfs/dbraw/zinc/87/06/12/568870612.db2.gz SHZGQPIIJOUWCB-UHFFFAOYSA-N 0 0 432.470 5.027 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000012949320 568871759 /nfs/dbraw/zinc/87/17/59/568871759.db2.gz AJDVSJLANYUENZ-FQEVSTJZSA-N 0 0 446.856 5.339 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000012949316 568871845 /nfs/dbraw/zinc/87/18/45/568871845.db2.gz AJDVSJLANYUENZ-HXUWFJFHSA-N 0 0 446.856 5.339 50 0 IKAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000012950797 568872241 /nfs/dbraw/zinc/87/22/41/568872241.db2.gz SLAQHUFXHFTMOG-UHFFFAOYSA-N 0 0 436.508 5.937 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)N(C3=CCCCC3)C3CC3)n2Cc2ccco2)c1 ZINC000012952751 568872332 /nfs/dbraw/zinc/87/23/32/568872332.db2.gz OEYRVANPSDRLIB-UHFFFAOYSA-N 0 0 448.592 5.436 50 0 IKAARN C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(-c5ccccc5)cc4)cc3cc21 ZINC000584906203 568872462 /nfs/dbraw/zinc/87/24/62/568872462.db2.gz LNKDBUWCFZOZLD-GOSISDBHSA-N 0 0 437.539 6.413 50 0 IKAARN Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000006189131 568872536 /nfs/dbraw/zinc/87/25/36/568872536.db2.gz RIPLGYIKFYBXQQ-UHFFFAOYSA-N 0 0 439.993 6.392 50 0 IKAARN CCc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)sc1-c1ccccc1 ZINC000585152220 568872753 /nfs/dbraw/zinc/87/27/53/568872753.db2.gz BJVWIJVREJILBT-UHFFFAOYSA-N 0 0 432.614 6.607 50 0 IKAARN Cc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3Cl)n1)[C@H](C)CC(C)(C)N2 ZINC000575473214 568873068 /nfs/dbraw/zinc/87/30/68/568873068.db2.gz NPGWTKWXBVPPQX-CQSZACIVSA-N 0 0 427.379 7.200 50 0 IKAARN CCCCOc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016262195 568875176 /nfs/dbraw/zinc/87/51/76/568875176.db2.gz ISPNURWRHOHFRQ-JOCHJYFZSA-N 0 0 441.959 5.171 50 0 IKAARN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@H](C)c4ccc(F)cc4)c(=O)c23)cc1 ZINC000016266320 568875198 /nfs/dbraw/zinc/87/51/98/568875198.db2.gz DYEXEKOGEDKTER-QGZVFWFLSA-N 0 0 449.551 5.182 50 0 IKAARN c1ccc(C2C(c3nc4ccccc4o3)C(c3ccccc3)C2c2nc3ccccc3o2)cc1 ZINC000001584710 568876025 /nfs/dbraw/zinc/87/60/25/568876025.db2.gz NUSKQQYYCDXKQE-UHFFFAOYSA-N 0 0 442.518 7.418 50 0 IKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000006203396 568879419 /nfs/dbraw/zinc/87/94/19/568879419.db2.gz QQIMFNTUDINJIN-UHFFFAOYSA-N 0 0 426.564 6.402 50 0 IKAARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1-c1ccccc1 ZINC000006245236 568880958 /nfs/dbraw/zinc/88/09/58/568880958.db2.gz KILYMJWXNXDSPO-SFHVURJKSA-N 0 0 444.560 5.371 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)n1c2ccccc2nc1SCc1cccc(F)c1 ZINC000006296850 568882363 /nfs/dbraw/zinc/88/23/63/568882363.db2.gz LJIVQBXKHNFWDG-UHFFFAOYSA-N 0 0 432.929 5.358 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Br)N1CCCCC1 ZINC000035478603 568882686 /nfs/dbraw/zinc/88/26/86/568882686.db2.gz FOBIHPYLMGVPEL-UHFFFAOYSA-N 0 0 428.305 5.506 50 0 IKAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478433 568882727 /nfs/dbraw/zinc/88/27/27/568882727.db2.gz HPOSSUKFTCDABR-CYBMUJFWSA-N 0 0 434.849 5.157 50 0 IKAARN COc1cc(OC)c(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1Cl ZINC000035478591 568882734 /nfs/dbraw/zinc/88/27/34/568882734.db2.gz KOPMBRYSITUHDT-UHFFFAOYSA-N 0 0 443.906 5.414 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1OC ZINC000009518446 568883515 /nfs/dbraw/zinc/88/35/15/568883515.db2.gz ZBYZYENWLQEEBG-UHFFFAOYSA-N 0 0 448.450 5.023 50 0 IKAARN O=C1c2ccccc2C(=CNc2ccc(Cl)cn2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102328748 568884384 /nfs/dbraw/zinc/88/43/84/568884384.db2.gz MUBPNFCJWUSRMO-PDGQHHTCSA-N 0 0 443.812 5.394 50 0 IKAARN CCc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000102425802 568884817 /nfs/dbraw/zinc/88/48/17/568884817.db2.gz XSGRFYHCRAWFGB-UHFFFAOYSA-N 0 0 425.532 5.362 50 0 IKAARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2cccnc2)n1 ZINC000102625316 568887288 /nfs/dbraw/zinc/88/72/88/568887288.db2.gz DATGARPAGHMVFF-KOSHJBKYSA-N 0 0 440.503 5.219 50 0 IKAARN CCOc1ccc2ccccc2c1C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000090557761 568887502 /nfs/dbraw/zinc/88/75/02/568887502.db2.gz FENOOEYZRHTZJH-UHFFFAOYSA-N 0 0 433.533 5.370 50 0 IKAARN O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000090607159 568889791 /nfs/dbraw/zinc/88/97/91/568889791.db2.gz LKBTYKDMHNJYEJ-UHFFFAOYSA-N 0 0 429.446 5.401 50 0 IKAARN O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)c1ccccc1Br ZINC000090607075 568889802 /nfs/dbraw/zinc/88/98/02/568889802.db2.gz NBGVAHFFIINBPN-UHFFFAOYSA-N 0 0 430.371 5.419 50 0 IKAARN Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000102931569 568890845 /nfs/dbraw/zinc/89/08/45/568890845.db2.gz GSBZFSVRWPNFDN-ZXVVBBHZSA-N 0 0 430.507 6.302 50 0 IKAARN Cc1csc(SCC2CCN(C(=O)c3c(C)onc3-c3ccccc3Cl)CC2)n1 ZINC000090608110 568891028 /nfs/dbraw/zinc/89/10/28/568891028.db2.gz UQXLQWHVHKUIEW-UHFFFAOYSA-N 0 0 448.013 5.713 50 0 IKAARN C[C@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1cccs1)CC2 ZINC000103083289 568891884 /nfs/dbraw/zinc/89/18/84/568891884.db2.gz NQXCIMKMLRBXAC-LXMVLSBBSA-N 0 0 446.572 5.341 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C(=O)c2cccs2)s1 ZINC000090610587 568892310 /nfs/dbraw/zinc/89/23/10/568892310.db2.gz NSTPSWQMHVZGOR-UHFFFAOYSA-N 0 0 442.949 5.587 50 0 IKAARN O=C(/C=C/c1ccc(Br)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000014359529 568893106 /nfs/dbraw/zinc/89/31/06/568893106.db2.gz LFQAWDGNMYBKJN-SOFGYWHQSA-N 0 0 426.354 6.162 50 0 IKAARN COc1cc(/C=C/C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc32)cc(OC)c1OC ZINC000014360943 568893224 /nfs/dbraw/zinc/89/32/24/568893224.db2.gz PUPRYBKXWRJPIA-SOFGYWHQSA-N 0 0 448.302 5.495 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(O)cc1 ZINC000103140849 568893344 /nfs/dbraw/zinc/89/33/44/568893344.db2.gz PISQGWNBTJYEHZ-SDXDJHTJSA-N 0 0 429.516 5.589 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(=O)NC2CC2)C1 ZINC000006396958 568894064 /nfs/dbraw/zinc/89/40/64/568894064.db2.gz KLCVFPSMJHPFGR-HNNXBMFYSA-N 0 0 428.598 5.644 50 0 IKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](Nc1ccccc1)c1ccccc1 ZINC000006402941 568894066 /nfs/dbraw/zinc/89/40/66/568894066.db2.gz RYYOZEZJEQLLOR-VWLOTQADSA-N 0 0 427.525 7.689 50 0 IKAARN O=C(COc1ccc(Br)cc1F)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012981715 568894506 /nfs/dbraw/zinc/89/45/06/568894506.db2.gz GAHVOYLXKPXALU-LJQANCHMSA-N 0 0 438.293 5.073 50 0 IKAARN COc1cc(/C=C2\c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(F)F ZINC000033039505 568895987 /nfs/dbraw/zinc/89/59/87/568895987.db2.gz OREPVZFZUBQAIQ-DEDYPNTBSA-N 0 0 435.426 5.333 50 0 IKAARN CN(C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000040134797 568896606 /nfs/dbraw/zinc/89/66/06/568896606.db2.gz RACCLADVNPHGKG-UFSNDUKISA-N 0 0 430.857 6.015 50 0 IKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000012993463 568897031 /nfs/dbraw/zinc/89/70/31/568897031.db2.gz NZFNPQSXJFQPFB-UHFFFAOYSA-N 0 0 435.380 5.272 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3)sc2NC(=O)c2ccco2)cc1 ZINC000035671263 568897145 /nfs/dbraw/zinc/89/71/45/568897145.db2.gz CPHDSOHBXNAEJY-SDNWHVSQSA-N 0 0 429.501 5.616 50 0 IKAARN Cc1ccc(-c2noc(-c3c4c(sc3NC(=O)c3ccc(F)cc3)CCCC4)n2)cc1 ZINC000035671270 568897272 /nfs/dbraw/zinc/89/72/72/568897272.db2.gz QJCISEDKCKUUHJ-UHFFFAOYSA-N 0 0 433.508 6.044 50 0 IKAARN CC(=O)Nc1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000035671510 568897317 /nfs/dbraw/zinc/89/73/17/568897317.db2.gz WIRPGEKZDOWJDX-UHFFFAOYSA-N 0 0 437.565 5.392 50 0 IKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000035671393 568897351 /nfs/dbraw/zinc/89/73/51/568897351.db2.gz YRIRNUYFQILPLQ-UHFFFAOYSA-N 0 0 436.467 6.188 50 0 IKAARN CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2OCC(F)(F)F)cs1 ZINC000013003465 568898514 /nfs/dbraw/zinc/89/85/14/568898514.db2.gz BJQIPHHCKFXAHM-UHFFFAOYSA-N 0 0 436.455 5.331 50 0 IKAARN Clc1cccc(-n2cc3c(n2)c(-c2nc4ccccc4s2)nnc3-c2ccccc2)c1 ZINC000096602000 568899832 /nfs/dbraw/zinc/89/98/32/568899832.db2.gz VCNOSCSZZDUATQ-UHFFFAOYSA-N 0 0 439.931 6.413 50 0 IKAARN COc1cccc(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 ZINC000102957672 568900271 /nfs/dbraw/zinc/90/02/71/568900271.db2.gz VQIVDKLPWANQDO-KGENOOAVSA-N 0 0 438.405 5.354 50 0 IKAARN CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC000103081658 568900743 /nfs/dbraw/zinc/90/07/43/568900743.db2.gz IGQMXUPIVMMFEV-ATVHPVEESA-N 0 0 443.499 5.222 50 0 IKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 ZINC000013012019 568901002 /nfs/dbraw/zinc/90/10/02/568901002.db2.gz CEBVBHVANGPJMH-UHFFFAOYSA-N 0 0 439.512 5.324 50 0 IKAARN COc1cccc(COc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)c1 ZINC000001742538 568901016 /nfs/dbraw/zinc/90/10/16/568901016.db2.gz JROYQCFELUZBQU-UHFFFAOYSA-N 0 0 437.289 5.810 50 0 biogenic IKAARN O=C1/C(=C/c2ccc(Cl)cc2)N=C(SCc2ccc(F)cc2)N1C1CCCCC1 ZINC000013014441 568901321 /nfs/dbraw/zinc/90/13/21/568901321.db2.gz XFKAFXAKSHSZOI-STZFKDTASA-N 0 0 428.960 6.284 50 0 IKAARN CC[C@@H](C)c1ccc([C@@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000013022385 568902288 /nfs/dbraw/zinc/90/22/88/568902288.db2.gz GKHIMJVZGKSSLM-WXTAPIANSA-N 0 0 445.588 5.267 50 0 IKAARN O=c1[nH]c(C(Cl)=Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)nc2ccccc12 ZINC000016441411 568902790 /nfs/dbraw/zinc/90/27/90/568902790.db2.gz MVUZHZWMDXZUPW-HOFZKYPUSA-N 0 0 448.750 5.944 50 0 IKAARN O=c1[nH]c(C(Cl)=Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)nc2ccccc12 ZINC000016441410 568902865 /nfs/dbraw/zinc/90/28/65/568902865.db2.gz MVUZHZWMDXZUPW-GQPJMJRUSA-N 0 0 448.750 5.944 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000001746132 568903334 /nfs/dbraw/zinc/90/33/34/568903334.db2.gz LORZMNHXAOWKON-UHFFFAOYSA-N 0 0 446.641 7.453 50 0 IKAARN COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1OC ZINC000001746693 568904135 /nfs/dbraw/zinc/90/41/35/568904135.db2.gz ZQLIRKHOPMIJPK-VXKWHMMOSA-N 0 0 426.310 5.697 50 0 IKAARN COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CC[C@H](C)C2 ZINC000001747438 568904226 /nfs/dbraw/zinc/90/42/26/568904226.db2.gz BRQPEWKSOXQHBT-INIZCTEOSA-N 0 0 435.545 5.344 50 0 IKAARN CCC(CC)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1 ZINC000104698476 568904363 /nfs/dbraw/zinc/90/43/63/568904363.db2.gz LDMHMNCSYRLFLS-JZJYNLBNSA-N 0 0 442.559 5.573 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccc(Cl)cc1 ZINC000001764992 568905667 /nfs/dbraw/zinc/90/56/67/568905667.db2.gz BKXYEZFPHANOCG-UHFFFAOYSA-N 0 0 439.342 6.230 50 0 IKAARN COC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000001766760 568905760 /nfs/dbraw/zinc/90/57/60/568905760.db2.gz IQFGVRZTAPDQPC-UHFFFAOYSA-N 0 0 438.321 5.273 50 0 IKAARN CCCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 ZINC000001769909 568905963 /nfs/dbraw/zinc/90/59/63/568905963.db2.gz YZKSRZMMHWTREL-AWEZNQCLSA-N 0 0 436.672 5.831 50 0 IKAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(I)cc1 ZINC000001769204 568905971 /nfs/dbraw/zinc/90/59/71/568905971.db2.gz BGMQZRIMDCQSBD-UHFFFAOYSA-N 0 0 432.261 5.068 50 0 IKAARN Cc1ccc(-c2ccc(OC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1 ZINC000001771927 568906049 /nfs/dbraw/zinc/90/60/49/568906049.db2.gz LQCYEPCEPVVQKJ-UHFFFAOYSA-N 0 0 435.273 5.750 50 0 IKAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3c2=O)cc1 ZINC000001772082 568906111 /nfs/dbraw/zinc/90/61/11/568906111.db2.gz UYEZXMZJYWPQTH-UHFFFAOYSA-N 0 0 444.483 6.111 50 0 biogenic IKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)c1ccc(Cl)c(Cl)c1 ZINC000001770879 568906122 /nfs/dbraw/zinc/90/61/22/568906122.db2.gz YGHZVIUQAHMXAY-UHFFFAOYSA-N 0 0 445.685 6.639 50 0 IKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000001770636 568906205 /nfs/dbraw/zinc/90/62/05/568906205.db2.gz NLKPRGWFUHNFLY-UHFFFAOYSA-N 0 0 437.561 6.041 50 0 IKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000001774947 568906261 /nfs/dbraw/zinc/90/62/61/568906261.db2.gz PLYIFBSWOQQSQM-UHFFFAOYSA-N 0 0 443.543 6.333 50 0 IKAARN O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000001774883 568906314 /nfs/dbraw/zinc/90/63/14/568906314.db2.gz KNJRLSHZEHQWFY-UHFFFAOYSA-N 0 0 446.506 5.898 50 0 IKAARN Cc1c(Cl)cccc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000001774330 568906336 /nfs/dbraw/zinc/90/63/36/568906336.db2.gz WPSYVZVZMWBRSZ-MRXNPFEDSA-N 0 0 433.766 6.536 50 0 IKAARN CCc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OC4CCCCC4)ccc3c2=O)cc1 ZINC000001775145 568906391 /nfs/dbraw/zinc/90/63/91/568906391.db2.gz PUVOEIPXOQGAIA-KRWDZBQOSA-N 0 0 436.504 5.791 50 0 IKAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(OC(C)C)cc1 ZINC000001778629 568906776 /nfs/dbraw/zinc/90/67/76/568906776.db2.gz LAEFDVPXKAHVPO-UHFFFAOYSA-N 0 0 429.314 5.705 50 0 IKAARN CCCc1nc2sc3c(ncnc3SCc3ccc4c(c3)OCO4)c2c2c1CCCC2 ZINC000001781443 568907112 /nfs/dbraw/zinc/90/71/12/568907112.db2.gz WEHPOFQIUAXFLD-UHFFFAOYSA-N 0 0 449.601 6.092 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1 ZINC000035707366 568907145 /nfs/dbraw/zinc/90/71/45/568907145.db2.gz BESXXBQNJHZZFP-UHFFFAOYSA-N 0 0 440.975 5.647 50 0 IKAARN Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000001783377 568907304 /nfs/dbraw/zinc/90/73/04/568907304.db2.gz MHQSSXOZMKPOEQ-UHFFFAOYSA-N 0 0 425.966 6.051 50 0 IKAARN O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 ZINC000006446014 568907494 /nfs/dbraw/zinc/90/74/94/568907494.db2.gz JEQOBCGXSRXSCE-UHFFFAOYSA-N 0 0 434.952 5.508 50 0 IKAARN CC(C)c1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001787777 568907564 /nfs/dbraw/zinc/90/75/64/568907564.db2.gz OJBHTASYXGUEGC-UHFFFAOYSA-N 0 0 446.978 6.700 50 0 IKAARN COc1ccc(CN(CC[C@H](c2ccc(OC(C)C)cc2)C(C)C)C(=O)c2ccco2)cc1 ZINC000001786514 568907587 /nfs/dbraw/zinc/90/75/87/568907587.db2.gz VDQZIOAWNGAYTO-SANMLTNESA-N 0 0 449.591 6.548 50 0 IKAARN CCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001787079 568907601 /nfs/dbraw/zinc/90/76/01/568907601.db2.gz VLPDDRIVWSQPPX-AWEZNQCLSA-N 0 0 430.601 5.644 50 0 IKAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000001789889 568907802 /nfs/dbraw/zinc/90/78/02/568907802.db2.gz NNYHKKJNZQMBKL-UHFFFAOYSA-N 0 0 445.685 6.639 50 0 IKAARN CCOC(=O)c1c(Nc2ccc(Cl)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001791368 568907945 /nfs/dbraw/zinc/90/79/45/568907945.db2.gz NNNVPQDCYAKNAM-UHFFFAOYSA-N 0 0 429.907 6.384 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCC1)Cc1ccccc1-2 ZINC000001791454 568907958 /nfs/dbraw/zinc/90/79/58/568907958.db2.gz WECFIMQTKXLOAH-UHFFFAOYSA-N 0 0 432.589 5.778 50 0 IKAARN CC(C)OC(=O)c1cccc(CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000001792226 568907984 /nfs/dbraw/zinc/90/79/84/568907984.db2.gz YYBLJSUXTGUVTD-UHFFFAOYSA-N 0 0 436.558 5.509 50 0 IKAARN O=C(Nc1nc2c(s1)CCCC2)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000001792159 568907985 /nfs/dbraw/zinc/90/79/85/568907985.db2.gz HEQXGDSTOHOQJE-UHFFFAOYSA-N 0 0 428.517 5.104 50 0 IKAARN CCC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c1C ZINC000001791999 568907993 /nfs/dbraw/zinc/90/79/93/568907993.db2.gz RMEYALBPZFZRJC-UHFFFAOYSA-N 0 0 433.407 5.712 50 0 IKAARN COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)Sc2ccc(Cl)cc2)cc1OC ZINC000001798848 568908306 /nfs/dbraw/zinc/90/83/06/568908306.db2.gz SMEVVCCXYQHTEQ-QHCPKHFHSA-N 0 0 447.383 7.117 50 0 IKAARN CCOC(=O)c1c2cc(OCc3ccc(Cl)cc3Cl)ccc2oc1-c1ccccc1 ZINC000001797683 568908318 /nfs/dbraw/zinc/90/83/18/568908318.db2.gz XJAYNMQODMZWQD-UHFFFAOYSA-N 0 0 441.310 7.162 50 0 IKAARN CC[C@@]1(C)Cc2ccccc2-c2nc(SCCC(C)C)n(Cc3ccccc3)c(=O)c21 ZINC000001801711 568908508 /nfs/dbraw/zinc/90/85/08/568908508.db2.gz VLMRNVCYUAUXIR-MHZLTWQESA-N 0 0 432.633 6.321 50 0 IKAARN COc1cccc(Nc2nc(-c3cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c3)cs2)c1 ZINC000035730468 568908907 /nfs/dbraw/zinc/90/89/07/568908907.db2.gz TUINHYCBKBWSFH-QGZVFWFLSA-N 0 0 437.609 6.963 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(-c2csc(Nc3cccc(OC)c3)n2)cc1)c1ccccc1 ZINC000035730464 568908908 /nfs/dbraw/zinc/90/89/08/568908908.db2.gz XTRXAGAVAVFXKY-HSZRJFAPSA-N 0 0 443.572 6.695 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccs2)cc1 ZINC000025576554 568909630 /nfs/dbraw/zinc/90/96/30/568909630.db2.gz ZJYRRBQMBRDXAG-GHTZIAJQSA-N 0 0 431.344 6.306 50 0 IKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc(-c3ccccc3Cl)cc12 ZINC000025576095 568909683 /nfs/dbraw/zinc/90/96/83/568909683.db2.gz AHMRIOXVIUTAPT-UHFFFAOYSA-N 0 0 439.298 5.716 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577202 568909718 /nfs/dbraw/zinc/90/97/18/568909718.db2.gz OOKRFUKWXZYURM-AZGAKELHSA-N 0 0 428.894 6.875 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000025577535 568909867 /nfs/dbraw/zinc/90/98/67/568909867.db2.gz WHRLBIAQBSSTIG-AOYPEHQESA-N 0 0 445.349 7.389 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577211 568909881 /nfs/dbraw/zinc/90/98/81/568909881.db2.gz OOKRFUKWXZYURM-AOYPEHQESA-N 0 0 428.894 6.875 50 0 IKAARN COc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000001814581 568915417 /nfs/dbraw/zinc/91/54/17/568915417.db2.gz QKYGJNZHLYERNF-YIXHJXPBSA-N 0 0 438.888 5.802 50 0 IKAARN Cc1ccc(-c2c3c4n(cc(-c5ccccc5)n4CCCC3)c2C(=O)Nc2ccccc2)cc1 ZINC000001812532 568915432 /nfs/dbraw/zinc/91/54/32/568915432.db2.gz MUEYJKXAHSOBQU-UHFFFAOYSA-N 0 0 445.566 6.972 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 ZINC000001813750 568915435 /nfs/dbraw/zinc/91/54/35/568915435.db2.gz SKBRVCBYFYRUEP-UHFFFAOYSA-N 0 0 446.641 6.554 50 0 IKAARN Cc1sc(NC(=O)CSc2cc(Br)ccc2C)nc1-c1ccccc1 ZINC000001810834 568915515 /nfs/dbraw/zinc/91/55/15/568915515.db2.gz DDJRNSXYJBHGME-UHFFFAOYSA-N 0 0 433.396 5.920 50 0 IKAARN O=C(CSC1=NC(=Cc2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccc(F)cc1 ZINC000001812007 568915528 /nfs/dbraw/zinc/91/55/28/568915528.db2.gz RZUHOQDIUKHVIX-STZFKDTASA-N 0 0 434.467 5.325 50 0 IKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 ZINC000001819018 568915620 /nfs/dbraw/zinc/91/56/20/568915620.db2.gz DUGXRKKJRBPMIB-MRXNPFEDSA-N 0 0 442.650 6.253 50 0 IKAARN Cc1ccc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000001823025 568915644 /nfs/dbraw/zinc/91/56/44/568915644.db2.gz JDTQYXIRVVACPM-UHFFFAOYSA-N 0 0 443.355 6.596 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001820274 568915713 /nfs/dbraw/zinc/91/57/13/568915713.db2.gz PFYFRHQGUOVOQY-UHFFFAOYSA-N 0 0 446.616 6.168 50 0 biogenic IKAARN COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 ZINC000001828760 568915843 /nfs/dbraw/zinc/91/58/43/568915843.db2.gz NSUAISKJGHSCEF-NDEPHWFRSA-N 0 0 431.576 6.053 50 0 biogenic IKAARN CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000001828401 568915890 /nfs/dbraw/zinc/91/58/90/568915890.db2.gz GBUHOIAMRWKFKJ-VWLOTQADSA-N 0 0 431.576 5.859 50 0 biogenic IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001830486 568915948 /nfs/dbraw/zinc/91/59/48/568915948.db2.gz FUXYTBSNDIFMOG-UHFFFAOYSA-N 0 0 428.623 5.889 50 0 IKAARN Cc1ccc(OCCCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001834878 568916137 /nfs/dbraw/zinc/91/61/37/568916137.db2.gz MMACTGYHSMUYIP-UHFFFAOYSA-N 0 0 446.978 6.665 50 0 IKAARN Cc1ccc(C)c(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1C ZINC000001834212 568916213 /nfs/dbraw/zinc/91/62/13/568916213.db2.gz PXKCEVMVTPGSBV-UHFFFAOYSA-N 0 0 432.951 6.111 50 0 IKAARN Cc1ccc([C@@H](CCNC(=O)C[C@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 ZINC000001832700 568916220 /nfs/dbraw/zinc/91/62/20/568916220.db2.gz FWXYDKSGTWJPJW-SXOMAYOGSA-N 0 0 447.619 6.843 50 0 biogenic IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc2ccccc2c1 ZINC000001835166 568916231 /nfs/dbraw/zinc/91/62/31/568916231.db2.gz YFQGXHQUYCNNBH-UHFFFAOYSA-N 0 0 440.930 6.339 50 0 IKAARN Cc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1C ZINC000001835547 568916263 /nfs/dbraw/zinc/91/62/63/568916263.db2.gz JYIZXVVWMARKAA-UHFFFAOYSA-N 0 0 432.951 6.193 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001838020 568916398 /nfs/dbraw/zinc/91/63/98/568916398.db2.gz IENKWVXXMRTHSD-CYBMUJFWSA-N 0 0 447.387 6.894 50 0 IKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000001846517 568916482 /nfs/dbraw/zinc/91/64/82/568916482.db2.gz XZIXNIBTOPTOPT-SDNWHVSQSA-N 0 0 445.569 5.498 50 0 IKAARN Cc1cccc(OP(=O)(Nc2cccc(C(F)(F)F)c2)Oc2cccc(C)c2C)c1C ZINC000001846981 568916494 /nfs/dbraw/zinc/91/64/94/568916494.db2.gz UCTVWAPHIXLNKW-UHFFFAOYSA-N 0 0 449.409 7.617 50 0 IKAARN CCc1c(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)noc1-c1ccc(Cl)s1 ZINC000089282603 568916528 /nfs/dbraw/zinc/91/65/28/568916528.db2.gz OHZZUPIKNMBEJN-IBGZPJMESA-N 0 0 443.956 5.311 50 0 IKAARN COc1ccc(COc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)cc1 ZINC000001840935 568916560 /nfs/dbraw/zinc/91/65/60/568916560.db2.gz HTYZCWKOQYHYIN-UHFFFAOYSA-N 0 0 437.289 5.810 50 0 biogenic IKAARN CC[C@H](C)[C@H](N)C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000026772129 568916729 /nfs/dbraw/zinc/91/67/29/568916729.db2.gz FRDOVDLKLQQWCJ-WLRWDXFRSA-N 0 0 436.291 5.171 50 0 IKAARN O=P(Nc1cccc(C(F)(F)F)c1)(Oc1ccccc1F)Oc1ccccc1F ZINC000001851899 568916744 /nfs/dbraw/zinc/91/67/44/568916744.db2.gz UHUUBIGJHBHPCO-UHFFFAOYSA-N 0 0 429.281 6.662 50 0 IKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000001858238 568916807 /nfs/dbraw/zinc/91/68/07/568916807.db2.gz YIRTYTNPPUNBSC-UHFFFAOYSA-N 0 0 433.558 5.413 50 0 IKAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000026790191 568917075 /nfs/dbraw/zinc/91/70/75/568917075.db2.gz GQFGPRFAASNEEK-UHFFFAOYSA-N 0 0 449.352 5.040 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)n2)c2ccccc2)c1C ZINC000001890787 568917587 /nfs/dbraw/zinc/91/75/87/568917587.db2.gz VJQQROZUWQCSCJ-DEOSSOPVSA-N 0 0 427.573 6.522 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccccc2Cl)c1C ZINC000001890843 568917592 /nfs/dbraw/zinc/91/75/92/568917592.db2.gz RZSVZMDBWGIBIH-QHCPKHFHSA-N 0 0 447.991 6.867 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCCCOc1ccccc1 ZINC000001888640 568917612 /nfs/dbraw/zinc/91/76/12/568917612.db2.gz BFLNISQNJXOPDQ-UHFFFAOYSA-N 0 0 432.951 6.356 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccccc2Cl)c1C ZINC000001890837 568917622 /nfs/dbraw/zinc/91/76/22/568917622.db2.gz RZSVZMDBWGIBIH-HSZRJFAPSA-N 0 0 447.991 6.867 50 0 IKAARN COc1ccccc1[C@@H](Nc1ccccn1)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000001890819 568917679 /nfs/dbraw/zinc/91/76/79/568917679.db2.gz QROROYNIVPKIJI-XMMPIXPASA-N 0 0 443.572 6.222 50 0 IKAARN O=C1c2ccccc2C(=O)N1CCCCSc1ncnc2sc(-c3ccccc3)cc21 ZINC000001895897 568917705 /nfs/dbraw/zinc/91/77/05/568917705.db2.gz PUKRARBXYFXDSA-UHFFFAOYSA-N 0 0 445.569 5.527 50 0 IKAARN CCOc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000001895100 568917737 /nfs/dbraw/zinc/91/77/37/568917737.db2.gz KQBFHOJZXRIMPN-UHFFFAOYSA-N 0 0 443.572 6.822 50 0 IKAARN CCCCCC(=O)N1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000035744765 568917938 /nfs/dbraw/zinc/91/79/38/568917938.db2.gz MTUJHORSIJMSKC-UHFFFAOYSA-N 0 0 428.964 5.213 50 0 IKAARN CCOP(=O)(Cc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C)OCC ZINC000001900840 568918133 /nfs/dbraw/zinc/91/81/33/568918133.db2.gz WROUGGBQUABEBQ-XMMPIXPASA-N 0 0 427.481 5.982 50 0 IKAARN CCc1ccc(N(C(C)=O)c2nc(CN[C@@H](c3cccs3)c3ccccc3)cs2)cc1 ZINC000089284887 568918349 /nfs/dbraw/zinc/91/83/49/568918349.db2.gz GPHUIZGUTRFXED-XMMPIXPASA-N 0 0 447.629 6.331 50 0 IKAARN COc1ccc(C(=O)Nc2ccccc2Sc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000001901837 568918498 /nfs/dbraw/zinc/91/84/98/568918498.db2.gz IRXLXVUTJMLLAK-UHFFFAOYSA-N 0 0 447.585 5.982 50 0 IKAARN CCCc1cc2c(cc1OCc1cc(C(=O)OC)oc1C)oc(=O)cc2-c1ccccc1 ZINC000001902706 568918659 /nfs/dbraw/zinc/91/86/59/568918659.db2.gz FDICBVLNOFQYQE-UHFFFAOYSA-N 0 0 432.472 5.680 50 0 IKAARN CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000001903597 568919301 /nfs/dbraw/zinc/91/93/01/568919301.db2.gz GSVYVSJXHPDNPK-MUUNZHRXSA-N 0 0 444.644 6.465 50 0 IKAARN O=C(NCCC[C@@]1(c2ccccc2)C(=O)Nc2ccc(Cl)cc21)OCc1ccccc1 ZINC000025693505 568919303 /nfs/dbraw/zinc/91/93/03/568919303.db2.gz NRTVOMXXRWHCAR-VWLOTQADSA-N 0 0 434.923 5.285 50 0 IKAARN CCOC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc(C)c1-c1ccccc1 ZINC000001903839 568919327 /nfs/dbraw/zinc/91/93/27/568919327.db2.gz JQEIBAZFRPNLCM-UHFFFAOYSA-N 0 0 437.561 6.006 50 0 IKAARN Cc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)cc1 ZINC000001907465 568919497 /nfs/dbraw/zinc/91/94/97/568919497.db2.gz BJJNKHDIFKDJDB-UHFFFAOYSA-N 0 0 446.934 5.372 50 0 IKAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)COc2ccccc2C)cc1 ZINC000006472300 568919853 /nfs/dbraw/zinc/91/98/53/568919853.db2.gz ZJOYIYRLPJCFJU-QHCPKHFHSA-N 0 0 448.485 5.102 50 0 IKAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)CCc2ccccc2)cc1 ZINC000006472299 568919876 /nfs/dbraw/zinc/91/98/76/568919876.db2.gz HOCXWOYOGUFMPL-QHCPKHFHSA-N 0 0 432.486 5.348 50 0 IKAARN CC(=O)N(c1nc(COC(=O)c2c(C)oc(C)c2C)cs1)c1c(C)cc(C)cc1C ZINC000016542134 568921158 /nfs/dbraw/zinc/92/11/58/568921158.db2.gz KIKGBRUINVOSFK-UHFFFAOYSA-N 0 0 426.538 5.628 50 0 IKAARN CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c2cccc3C(F)(F)F)c1 ZINC000001912368 568922276 /nfs/dbraw/zinc/92/22/76/568922276.db2.gz XDFMZJVYJOGIGG-UHFFFAOYSA-N 0 0 432.398 5.351 50 0 IKAARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1cccc(Br)c1 ZINC000001915514 568922440 /nfs/dbraw/zinc/92/24/40/568922440.db2.gz SXXXYUGSMXSJOV-UHFFFAOYSA-N 0 0 431.742 5.589 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cc(C)cc(C)c1C ZINC000001916483 568922444 /nfs/dbraw/zinc/92/24/44/568922444.db2.gz WNQFRJMEZVQLQW-UHFFFAOYSA-N 0 0 441.524 5.674 50 0 IKAARN COC(=O)c1ccc(COc2ccc3c(c2)occ(Oc2ccccc2C(C)C)c3=O)cc1 ZINC000001915144 568922489 /nfs/dbraw/zinc/92/24/89/568922489.db2.gz ZHGFXCJYYYRRQE-UHFFFAOYSA-N 0 0 444.483 6.074 50 0 IKAARN CC(C)(C)c1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1 ZINC000001913257 568922499 /nfs/dbraw/zinc/92/24/99/568922499.db2.gz OMHNTYBEMHKRJG-UHFFFAOYSA-N 0 0 449.547 5.711 50 0 IKAARN CCc1cccc(CC)c1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000001917352 568922963 /nfs/dbraw/zinc/92/29/63/568922963.db2.gz CDSNJPKWNQOHSO-UHFFFAOYSA-N 0 0 441.527 5.911 50 0 IKAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 ZINC000035794482 568923025 /nfs/dbraw/zinc/92/30/25/568923025.db2.gz HHHCYUHOEXNURF-UHFFFAOYSA-N 0 0 447.926 5.939 50 0 IKAARN CCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C[C@@H](C)CC ZINC000035795106 568923115 /nfs/dbraw/zinc/92/31/15/568923115.db2.gz BFBKJFKQPNJMEL-QFIPXVFZSA-N 0 0 442.669 6.122 50 0 IKAARN O=c1c2ccc(OCc3ccccc3)cc2oc(C(F)(F)F)c1-c1ccccc1Cl ZINC000001932319 568923501 /nfs/dbraw/zinc/92/35/01/568923501.db2.gz IXMNGOXRTMHAEV-UHFFFAOYSA-N 0 0 430.809 6.711 50 0 IKAARN COc1ccc(Br)cc1/C=C1\N=C(c2cc(Cl)ccc2Cl)OC1=O ZINC000001948991 568923653 /nfs/dbraw/zinc/92/36/53/568923653.db2.gz OKDDMJKVTKOKDM-AUWJEWJLSA-N 0 0 427.081 5.109 50 0 IKAARN CCOC(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)cc1 ZINC000001944672 568923708 /nfs/dbraw/zinc/92/37/08/568923708.db2.gz AUUBLDMNOWPSAY-YYADALCUSA-N 0 0 448.316 6.271 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Br)cc1 ZINC000001957696 568924036 /nfs/dbraw/zinc/92/40/36/568924036.db2.gz RUPUMIIYECRIOE-UHFFFAOYSA-N 0 0 428.138 6.132 50 0 IKAARN CCOC(=O)c1c(Oc2ccc(Cl)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001971307 568924124 /nfs/dbraw/zinc/92/41/24/568924124.db2.gz NMAGTHQJXMWXKJ-UHFFFAOYSA-N 0 0 430.891 6.433 50 0 IKAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccco1)Nc1ccccc1C(F)(F)F ZINC000001978990 568924127 /nfs/dbraw/zinc/92/41/27/568924127.db2.gz PTGGKZQXGYFBLY-UHFFFAOYSA-N 0 0 429.350 5.089 50 0 IKAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)Nc1ccccc1Cl ZINC000001993641 568924392 /nfs/dbraw/zinc/92/43/92/568924392.db2.gz ZASGGKBORFFSOU-UHFFFAOYSA-N 0 0 440.282 5.784 50 0 IKAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000016591641 568924488 /nfs/dbraw/zinc/92/44/88/568924488.db2.gz KGFLCLNPMXKFRV-DNVCBOLYSA-N 0 0 426.866 5.303 50 0 IKAARN Cc1oc2cc(OCc3ccc(Cl)cc3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000000726163 568924549 /nfs/dbraw/zinc/92/45/49/568924549.db2.gz QBRWERIAJKNCFI-UHFFFAOYSA-N 0 0 434.875 5.772 50 0 biogenic IKAARN COc1cc2c(NCc3ccccc3)cc(O)c(CC(=O)Nc3ccccc3)c2cc1OC ZINC000000754295 568924663 /nfs/dbraw/zinc/92/46/63/568924663.db2.gz UTJJADQWFXUGMK-UHFFFAOYSA-N 0 0 442.515 5.356 50 0 biogenic IKAARN CC(C)Oc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2)C(=O)c2ccco2)cc1 ZINC000001137036 568924750 /nfs/dbraw/zinc/92/47/50/568924750.db2.gz QUVNBOQYZIQOSS-RUZDIDTESA-N 0 0 443.543 6.524 50 0 biogenic IKAARN COc1cccc(C(=O)COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)c1 ZINC000001165134 568924817 /nfs/dbraw/zinc/92/48/17/568924817.db2.gz HLZYYCUVGFNZEY-UHFFFAOYSA-N 0 0 428.484 5.271 50 0 biogenic IKAARN CCCCCCc1cc2c(cc1O[C@@H](C)C(=O)OCC)occ(-c1csc(C)n1)c2=O ZINC000001886801 568924942 /nfs/dbraw/zinc/92/49/42/568924942.db2.gz WDTQUEVGFRWBMY-HNNXBMFYSA-N 0 0 443.565 5.678 50 0 biogenic IKAARN CCCCCCc1cc2c(cc1O[C@H](C)C(=O)OCC)occ(-c1csc(C)n1)c2=O ZINC000001886804 568925003 /nfs/dbraw/zinc/92/50/03/568925003.db2.gz WDTQUEVGFRWBMY-OAHLLOKOSA-N 0 0 443.565 5.678 50 0 biogenic IKAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)c3ccccc3)c2)N2CCCSC2=N1 ZINC000016613597 568925769 /nfs/dbraw/zinc/92/57/69/568925769.db2.gz UDTPFOHJNZINMN-JOCHJYFZSA-N 0 0 449.576 5.014 50 0 IKAARN CCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000035806683 568926097 /nfs/dbraw/zinc/92/60/97/568926097.db2.gz DYRXPWLTRWHRBP-UHFFFAOYSA-N 0 0 448.526 6.047 50 0 IKAARN Cc1cccc(Nc2nc(N=NCc3ccc(F)cc3)nc(N3CCC(C)CC3)n2)c1C ZINC000252626206 568926282 /nfs/dbraw/zinc/92/62/82/568926282.db2.gz QYJBGIAESQEYCL-UHFFFAOYSA-N 0 0 433.535 5.053 50 0 IKAARN O=[N+]([O-])c1ccc(NN=Cc2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)cc1 ZINC000252637850 568926817 /nfs/dbraw/zinc/92/68/17/568926817.db2.gz XXLWVDGTMPHZTG-UHFFFAOYSA-N 0 0 445.460 5.648 50 0 IKAARN Cn1c2ccc(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)cc2n(C)c1=O ZINC000064408176 568927602 /nfs/dbraw/zinc/92/76/02/568927602.db2.gz SIMRRJBJPXIQOP-UHFFFAOYSA-N 0 0 440.739 5.304 50 0 IKAARN Cc1ccccc1NC(=O)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450121 568928952 /nfs/dbraw/zinc/92/89/52/568928952.db2.gz NQPJRUVPTLAEJU-UHFFFAOYSA-N 0 0 433.943 5.194 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000064450159 568928988 /nfs/dbraw/zinc/92/89/88/568928988.db2.gz UAIRGSYHFKSFSQ-UHFFFAOYSA-N 0 0 433.943 5.112 50 0 IKAARN CCc1ccccc1NC(=O)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450127 568928994 /nfs/dbraw/zinc/92/89/94/568928994.db2.gz KGFNGGRLMKTPID-UHFFFAOYSA-N 0 0 447.970 5.448 50 0 IKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)cc1 ZINC000064452354 568929226 /nfs/dbraw/zinc/92/92/26/568929226.db2.gz LOPOGDXENIVGDK-SFHVURJKSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1Cl ZINC000064452519 568929461 /nfs/dbraw/zinc/92/94/61/568929461.db2.gz TUAMYYUFBSIYSA-GOSISDBHSA-N 0 0 436.943 5.394 50 0 IKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(Br)c1 ZINC000064459720 568929482 /nfs/dbraw/zinc/92/94/82/568929482.db2.gz FHGQHQBFIRIBKP-GFCCVEGCSA-N 0 0 445.386 5.251 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2scc(-c3ccc(OC)cc3)c2-n2cccc2)cc1 ZINC000064472803 568929808 /nfs/dbraw/zinc/92/98/08/568929808.db2.gz YQUIDYAZVVSQRM-UHFFFAOYSA-N 0 0 432.501 5.253 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)cc1 ZINC000064471535 568929879 /nfs/dbraw/zinc/92/98/79/568929879.db2.gz UXZGSRCIGRFELS-UHFFFAOYSA-N 0 0 445.548 5.381 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1F)N1CCCC1 ZINC000064471985 568929974 /nfs/dbraw/zinc/92/99/74/568929974.db2.gz MVOUTRUIDIWPRG-UHFFFAOYSA-N 0 0 432.268 5.255 50 0 IKAARN Cc1ccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c(C)c1 ZINC000064473299 568930309 /nfs/dbraw/zinc/93/03/09/568930309.db2.gz HRWROEIVJSTSFG-UHFFFAOYSA-N 0 0 447.970 5.502 50 0 IKAARN O=C(Nc1cccc(Cl)c1)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000064473124 568930396 /nfs/dbraw/zinc/93/03/96/568930396.db2.gz WSTCYMFCRUMRFV-UHFFFAOYSA-N 0 0 437.906 5.024 50 0 IKAARN CC[C@H](C)OC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O[C@@H](C)CC)cc3)cc2)cc1 ZINC000002023008 568930656 /nfs/dbraw/zinc/93/06/56/568930656.db2.gz ZHDLGBRRNPINJX-PMACEKPBSA-N 0 0 430.544 6.931 50 0 IKAARN CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(cc(N3CCc4ccccc43)c3ccccc31)O2 ZINC000002023435 568930676 /nfs/dbraw/zinc/93/06/76/568930676.db2.gz PITZBBWQUBGWTD-PMERELPUSA-N 0 0 445.566 6.753 50 0 IKAARN CCCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1 ZINC000002024642 568931279 /nfs/dbraw/zinc/93/12/79/568931279.db2.gz FOSUGMUOHBETFB-UHFFFAOYSA-N 0 0 430.544 6.810 50 0 biogenic IKAARN CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1)c1ccccc1 ZINC000035910312 568931396 /nfs/dbraw/zinc/93/13/96/568931396.db2.gz COGMERKBIQVTEV-BVAGGSTKSA-N 0 0 430.573 5.906 50 0 IKAARN Cc1ccccc1C(=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000002025878 568931475 /nfs/dbraw/zinc/93/14/75/568931475.db2.gz FSEKIVNMPIQQAB-UHFFFAOYSA-N 0 0 446.934 5.372 50 0 IKAARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)nnc1C(F)(F)F ZINC000013101656 568931691 /nfs/dbraw/zinc/93/16/91/568931691.db2.gz JNTQQQDLTXDEKL-UHFFFAOYSA-N 0 0 442.850 5.010 50 0 IKAARN CC(C)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000064557987 568931933 /nfs/dbraw/zinc/93/19/33/568931933.db2.gz VIYYKBUYTBTPQJ-HSZRJFAPSA-N 0 0 447.556 5.137 50 0 IKAARN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064558213 568932030 /nfs/dbraw/zinc/93/20/30/568932030.db2.gz CDDLAIPGLHXNGI-HSZRJFAPSA-N 0 0 447.556 5.197 50 0 IKAARN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558172 568932147 /nfs/dbraw/zinc/93/21/47/568932147.db2.gz PGAHIFZVOBRPJQ-HSZRJFAPSA-N 0 0 447.556 5.450 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)Nc2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000035945164 568932447 /nfs/dbraw/zinc/93/24/47/568932447.db2.gz OQGJZLWJPOHZRT-GOSISDBHSA-N 0 0 442.579 5.565 50 0 IKAARN CC(C)NC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@H](C)C(C)C ZINC000035945160 568932488 /nfs/dbraw/zinc/93/24/88/568932488.db2.gz UZCNHVZYJNGORY-GOSISDBHSA-N 0 0 442.579 5.109 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035944476 568932698 /nfs/dbraw/zinc/93/26/98/568932698.db2.gz WWIRURHQZFZMMK-OAQYLSRUSA-N 0 0 433.483 5.062 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)c1 ZINC000064567937 568933697 /nfs/dbraw/zinc/93/36/97/568933697.db2.gz KODRYIXJWNVQFG-UHFFFAOYSA-N 0 0 439.924 5.384 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)ncn1 ZINC000064568567 568933707 /nfs/dbraw/zinc/93/37/07/568933707.db2.gz QYRKKBQPYVAIKB-UHFFFAOYSA-N 0 0 445.906 5.528 50 0 IKAARN COc1cccc2c(Nc3ccc(Cl)cc3C)cc(C(=O)N3CCSCC3)nc12 ZINC000064568516 568933755 /nfs/dbraw/zinc/93/37/55/568933755.db2.gz CNYZELBUCZAPAC-UHFFFAOYSA-N 0 0 427.957 5.138 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC000064567901 568933774 /nfs/dbraw/zinc/93/37/74/568933774.db2.gz LEFBLJGXFFZGJH-UHFFFAOYSA-N 0 0 429.904 5.757 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc1Cl ZINC000064578558 568933848 /nfs/dbraw/zinc/93/38/48/568933848.db2.gz DLKAYRLTGJQTGT-UHFFFAOYSA-N 0 0 431.879 5.850 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)ncn2)c1 ZINC000064568599 568933972 /nfs/dbraw/zinc/93/39/72/568933972.db2.gz NWRLRHTZYDWYNG-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)ncn1 ZINC000064568574 568933992 /nfs/dbraw/zinc/93/39/92/568933992.db2.gz QHTCFULSDWAVEW-UHFFFAOYSA-N 0 0 425.488 5.217 50 0 IKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000064578684 568934118 /nfs/dbraw/zinc/93/41/18/568934118.db2.gz TUCCEGXUDUCLGQ-UHFFFAOYSA-N 0 0 437.833 6.120 50 0 IKAARN COc1cc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc(OC)c1 ZINC000064578736 568934152 /nfs/dbraw/zinc/93/41/52/568934152.db2.gz LBKYYLKDFNDHOS-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4cccc(C)c4)c3)ncn2)cc1 ZINC000064578404 568934339 /nfs/dbraw/zinc/93/43/39/568934339.db2.gz PBXTUIXOOUMJAX-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 IKAARN CCCOc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(OCCC)cc3)nc2)cc1 ZINC000002029351 568935002 /nfs/dbraw/zinc/93/50/02/568935002.db2.gz AANCQOXUVNZTHR-UHFFFAOYSA-N 0 0 435.476 5.098 50 0 IKAARN CCn1c2cc(NC(=O)Nc3c(C)cccc3C)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591150 568935467 /nfs/dbraw/zinc/93/54/67/568935467.db2.gz ZHPGZFFZRIVEFL-UHFFFAOYSA-N 0 0 435.572 5.094 50 0 IKAARN CCOc1cc(OCc2ccccc2)ccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O ZINC000006600434 568935658 /nfs/dbraw/zinc/93/56/58/568935658.db2.gz XQGNLMGWTGGCKR-HYARGMPZSA-N 0 0 433.891 5.662 50 0 IKAARN O[C@@H](Cn1c2ccccc2nc1C(F)(F)F)CN1c2ccccc2Sc2ccccc21 ZINC000054297372 568936999 /nfs/dbraw/zinc/93/69/99/568936999.db2.gz GTXIINRRKULIDE-OAHLLOKOSA-N 0 0 441.478 5.719 50 0 IKAARN CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1 ZINC000002030644 568937038 /nfs/dbraw/zinc/93/70/38/568937038.db2.gz PPOZJDHLKUGABS-OKHMJZBSSA-N 0 0 437.539 5.436 50 0 IKAARN COc1ccc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OCc1cccnc1 ZINC000089556303 568937467 /nfs/dbraw/zinc/93/74/67/568937467.db2.gz FFSXTERHAQFWQC-UHFFFAOYSA-N 0 0 440.547 5.653 50 0 IKAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)c3ncc(Cl)cc3Cl)c12 ZINC000089567345 568937630 /nfs/dbraw/zinc/93/76/30/568937630.db2.gz FJFXWPMPWHVRRL-UHFFFAOYSA-N 0 0 432.355 5.351 50 0 IKAARN CCc1nc2sc([C@H](c3cccs3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000016690092 568938565 /nfs/dbraw/zinc/93/85/65/568938565.db2.gz FBFVPUKEYJJYTJ-FQEVSTJZSA-N 0 0 438.622 5.164 50 0 IKAARN CC1(C)[C@H](C(=O)N[C@@H](NC2CCCCC2)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000027024454 568939247 /nfs/dbraw/zinc/93/92/47/568939247.db2.gz KBOJCECEPHHEFJ-SCDSUCTJSA-N 0 0 436.638 5.312 50 0 IKAARN CC(C)(C)c1ccc(/C=c2/sc3nc([C@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 ZINC000027024223 568939251 /nfs/dbraw/zinc/93/92/51/568939251.db2.gz JPSWSTZSCDNWPX-YLJPPSQVSA-N 0 0 448.419 5.055 50 0 IKAARN N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)S1 ZINC000027024986 568939252 /nfs/dbraw/zinc/93/92/52/568939252.db2.gz INPIDXCNVVNHDL-AUWJEWJLSA-N 0 0 449.340 5.566 50 0 IKAARN COc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1OC ZINC000064605878 568939773 /nfs/dbraw/zinc/93/97/73/568939773.db2.gz AUAUEMSQSFTZPI-UHFFFAOYSA-N 0 0 444.466 5.296 50 0 IKAARN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC(C)(C)C)cc1 ZINC000002054257 568941003 /nfs/dbraw/zinc/94/10/03/568941003.db2.gz TYCSXLYCKWGVEI-RCCKNPSSSA-N 0 0 436.939 5.594 50 0 IKAARN Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2Nc2ccccc2)cc1 ZINC000002060336 568941243 /nfs/dbraw/zinc/94/12/43/568941243.db2.gz ALDUBFWEWADGIC-RCCKNPSSSA-N 0 0 432.321 5.415 50 0 IKAARN Cc1ccc(COc2ccc(/C=C3/N=C(c4cc(F)c(F)cc4Cl)OC3=O)cc2)cc1 ZINC000002061007 568941253 /nfs/dbraw/zinc/94/12/53/568941253.db2.gz NBNYTEQUIPTQST-LSHDLFTRSA-N 0 0 439.845 5.850 50 0 IKAARN Cc1ccc(S(=O)(=O)c2nc(/C=C3\N(C)c4ccccc4C3(C)C)sc2Cl)cc1 ZINC000002061463 568941297 /nfs/dbraw/zinc/94/12/97/568941297.db2.gz ZYBOPWZPJIHJQS-AQTBWJFISA-N 0 0 445.009 5.706 50 0 IKAARN CC(C)COc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656667 568942178 /nfs/dbraw/zinc/94/21/78/568942178.db2.gz XZIHSXAXDKFKIP-IBGZPJMESA-N 0 0 441.574 5.090 50 0 IKAARN CCCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 ZINC000064656799 568942181 /nfs/dbraw/zinc/94/21/81/568942181.db2.gz UBBWCBYPDFEEOT-LJQANCHMSA-N 0 0 441.574 5.152 50 0 IKAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 ZINC000064656747 568942184 /nfs/dbraw/zinc/94/21/84/568942184.db2.gz VKHHRALRBQXWKL-GOSISDBHSA-N 0 0 441.574 5.151 50 0 IKAARN CCC[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)c1cccs1 ZINC000064657739 568942298 /nfs/dbraw/zinc/94/22/98/568942298.db2.gz ARPKARJLWGJWID-QGZVFWFLSA-N 0 0 429.010 6.742 50 0 IKAARN CCC[C@H](NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)c1cccs1 ZINC000064657736 568942409 /nfs/dbraw/zinc/94/24/09/568942409.db2.gz ARPKARJLWGJWID-KRWDZBQOSA-N 0 0 429.010 6.742 50 0 IKAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Br)cc2)CC3)cc1 ZINC000064660022 568942487 /nfs/dbraw/zinc/94/24/87/568942487.db2.gz RXLBEXWXCPKLPY-UHFFFAOYSA-N 0 0 428.355 5.471 50 0 IKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc12 ZINC000064666378 568942650 /nfs/dbraw/zinc/94/26/50/568942650.db2.gz ISODOFMYOFJBJM-UHFFFAOYSA-N 0 0 435.858 6.320 50 0 IKAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)O[C@H]3CC(C)(C)Oc4ccccc43)cc12 ZINC000064666357 568942685 /nfs/dbraw/zinc/94/26/85/568942685.db2.gz AFQAHUQDDHOBTD-FQEVSTJZSA-N 0 0 436.508 5.994 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000064665719 568942729 /nfs/dbraw/zinc/94/27/29/568942729.db2.gz MAHFLIYJUVCZEX-UHFFFAOYSA-N 0 0 433.508 5.761 50 0 IKAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1OC ZINC000064664925 568942740 /nfs/dbraw/zinc/94/27/40/568942740.db2.gz RBLBAZNSLFCABD-UHFFFAOYSA-N 0 0 449.938 5.075 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3c(C)cc(Br)cc3C)cc12 ZINC000064666308 568942744 /nfs/dbraw/zinc/94/27/44/568942744.db2.gz MKOMYYSRMBNVFM-UHFFFAOYSA-N 0 0 441.350 5.994 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NC2CCCCC2)CC1 ZINC000064667943 568942860 /nfs/dbraw/zinc/94/28/60/568942860.db2.gz COPNLIPJBWEOBA-UHFFFAOYSA-N 0 0 439.625 5.118 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)N2CCCCCC2)CC1 ZINC000064667933 568942914 /nfs/dbraw/zinc/94/29/14/568942914.db2.gz PWAJFTOPFTVSGI-UHFFFAOYSA-N 0 0 439.625 5.072 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000064667965 568942928 /nfs/dbraw/zinc/94/29/28/568942928.db2.gz SBBZXNUAZIVODE-GOSISDBHSA-N 0 0 441.641 5.078 50 0 IKAARN Cc1c(S(=O)(=O)Nc2ccc(F)cc2C)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668087 568943107 /nfs/dbraw/zinc/94/31/07/568943107.db2.gz YNYPLTREDYFBEY-UHFFFAOYSA-N 0 0 441.553 5.372 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)N3CCCCCC3)o2)cc1 ZINC000064669320 568943263 /nfs/dbraw/zinc/94/32/63/568943263.db2.gz UESMRBUGXAUZOM-UHFFFAOYSA-N 0 0 431.580 6.640 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1 ZINC000064669383 568943268 /nfs/dbraw/zinc/94/32/68/568943268.db2.gz VHBIVOIWMNXHQR-UHFFFAOYSA-N 0 0 443.522 6.879 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NC[C@@H]3CCCO3)o2)cc1 ZINC000064669332 568943271 /nfs/dbraw/zinc/94/32/71/568943271.db2.gz YJMVHVJCVWPGKB-NRFANRHFSA-N 0 0 433.552 5.533 50 0 IKAARN O=C(NCc1ccccc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669360 568943288 /nfs/dbraw/zinc/94/32/88/568943288.db2.gz ZZRDCZACSAOESX-UHFFFAOYSA-N 0 0 429.495 5.994 50 0 IKAARN C[C@@H](NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1)c1ccccc1 ZINC000064669414 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CC(C)CN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1F ZINC000036104913 568953253 /nfs/dbraw/zinc/95/32/53/568953253.db2.gz MCOQOEIODRRDKG-UHFFFAOYSA-N 0 0 440.584 6.283 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccc(C)c1 ZINC000036105040 568953312 /nfs/dbraw/zinc/95/33/12/568953312.db2.gz VXTXVSUBBZZMFH-FQEVSTJZSA-N 0 0 436.621 6.595 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036105514 568953324 /nfs/dbraw/zinc/95/33/24/568953324.db2.gz DEYJOGJTJVJZIO-INIZCTEOSA-N 0 0 444.984 5.825 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(C)c1 ZINC000036105556 568953418 /nfs/dbraw/zinc/95/34/18/568953418.db2.gz OJGBSQAXGCZYRY-QGZVFWFLSA-N 0 0 428.985 6.125 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1F ZINC000036105529 568953449 /nfs/dbraw/zinc/95/34/49/568953449.db2.gz NWMZDPAWLAABRH-HNNXBMFYSA-N 0 0 432.948 5.956 50 0 IKAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)c2ccc(Cl)cc2)cs1 ZINC000036105674 568953488 /nfs/dbraw/zinc/95/34/88/568953488.db2.gz LNXHGMZVZWJSTN-UHFFFAOYSA-N 0 0 444.984 5.683 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccccc3OC)n2)CC(C)C)c1 ZINC000036105680 568953520 /nfs/dbraw/zinc/95/35/20/568953520.db2.gz PQOSIEZCKAPDPY-UHFFFAOYSA-N 0 0 440.565 5.038 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(F)cc1 ZINC000036105735 568953549 /nfs/dbraw/zinc/95/35/49/568953549.db2.gz QLSGOFVZZQBVPA-MRXNPFEDSA-N 0 0 428.529 5.311 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1cccc(OC)c1 ZINC000036105794 568953604 /nfs/dbraw/zinc/95/36/04/568953604.db2.gz GDFUTJPDVBPTDL-KRWDZBQOSA-N 0 0 440.565 5.180 50 0 IKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036106705 568953678 /nfs/dbraw/zinc/95/36/78/568953678.db2.gz PSCZNBMWGFPNPS-MRXNPFEDSA-N 0 0 444.984 5.825 50 0 IKAARN CCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1F ZINC000036106122 568953680 /nfs/dbraw/zinc/95/36/80/568953680.db2.gz WBYIWQHSKFAJKK-UHFFFAOYSA-N 0 0 426.557 5.839 50 0 IKAARN COc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)cc1 ZINC000036106191 568953694 /nfs/dbraw/zinc/95/36/94/568953694.db2.gz IURHPPPEMMTLDM-UHFFFAOYSA-N 0 0 428.529 5.168 50 0 IKAARN COc1cccc(C(=O)N(Cc2csc(COc3cccc(Cl)c3)n2)C(C)C)c1 ZINC000036106686 568953701 /nfs/dbraw/zinc/95/37/01/568953701.db2.gz SPDUYKXQTHIWNQ-UHFFFAOYSA-N 0 0 430.957 5.435 50 0 IKAARN CCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(F)cc1 ZINC000036106102 568953742 /nfs/dbraw/zinc/95/37/42/568953742.db2.gz BQWXRSCALKBTIU-UHFFFAOYSA-N 0 0 426.557 5.839 50 0 IKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036106807 568953897 /nfs/dbraw/zinc/95/38/97/568953897.db2.gz PHYJVYCMJFXJIM-UHFFFAOYSA-N 0 0 430.957 5.437 50 0 IKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000036107080 568953930 /nfs/dbraw/zinc/95/39/30/568953930.db2.gz XZORWXBMVWJWOY-UHFFFAOYSA-N 0 0 438.549 5.120 50 0 IKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(F)cc3)cs2)c1C ZINC000036107155 568953961 /nfs/dbraw/zinc/95/39/61/568953961.db2.gz YRRCPTSXVBAGRP-UHFFFAOYSA-N 0 0 426.557 5.776 50 0 IKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(F)cc3)cs2)cc1C ZINC000036106855 568954001 /nfs/dbraw/zinc/95/40/01/568954001.db2.gz ARQOZWACSGXAQT-UHFFFAOYSA-N 0 0 426.557 5.776 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106738 568954003 /nfs/dbraw/zinc/95/40/03/568954003.db2.gz SZTILBWQRIAFBY-HNNXBMFYSA-N 0 0 449.403 6.470 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(Cl)c3)C2)c(C)c1 ZINC000064775103 568954318 /nfs/dbraw/zinc/95/43/18/568954318.db2.gz NIGNBQZJLSZPBU-UHFFFAOYSA-N 0 0 447.991 6.883 50 0 IKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2C)c1C ZINC000064775038 568954360 /nfs/dbraw/zinc/95/43/60/568954360.db2.gz HXTDGSIEOGLVJC-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN COc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(Cl)c3)C2)c1 ZINC000064775106 568954368 /nfs/dbraw/zinc/95/43/68/568954368.db2.gz JTZUZTACJCALQD-UHFFFAOYSA-N 0 0 449.963 6.275 50 0 IKAARN Cc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(Cl)c3)C2)c1 ZINC000064775093 568954379 /nfs/dbraw/zinc/95/43/79/568954379.db2.gz YBVWCZFEAOKMEE-UHFFFAOYSA-N 0 0 433.964 6.575 50 0 IKAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)cc1 ZINC000064775401 568954557 /nfs/dbraw/zinc/95/45/57/568954557.db2.gz HWNOJHVFQXWRDR-UHFFFAOYSA-N 0 0 435.574 6.073 50 0 IKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1Cl ZINC000064775465 568954668 /nfs/dbraw/zinc/95/46/68/568954668.db2.gz USBGOOCVHPLCCF-UHFFFAOYSA-N 0 0 434.952 5.970 50 0 IKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114285 568955051 /nfs/dbraw/zinc/95/50/51/568955051.db2.gz SETKSSCZMTWHQP-UHFFFAOYSA-N 0 0 428.985 6.045 50 0 IKAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1ccc(C)cc1 ZINC000036115042 568955388 /nfs/dbraw/zinc/95/53/88/568955388.db2.gz AELPQSDZJGLUIH-UHFFFAOYSA-N 0 0 446.572 5.473 50 0 IKAARN CC[C@H](C)N(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1cccs1 ZINC000036114943 568955446 /nfs/dbraw/zinc/95/54/46/568955446.db2.gz ZSWZMEJABSGISC-HNNXBMFYSA-N 0 0 446.594 5.242 50 0 IKAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1ccccc1C ZINC000036115050 568955460 /nfs/dbraw/zinc/95/54/60/568955460.db2.gz ZAKFEACWFSSWBY-UHFFFAOYSA-N 0 0 446.572 5.473 50 0 IKAARN CC(C)CN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)c1ccc(F)cc1 ZINC000036115019 568955465 /nfs/dbraw/zinc/95/54/65/568955465.db2.gz GWZBMVBCSKZFHG-UHFFFAOYSA-N 0 0 448.563 6.313 50 0 IKAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116756 568955762 /nfs/dbraw/zinc/95/57/62/568955762.db2.gz AVGTXRLRVXJWED-WZONZLPQSA-N 0 0 442.625 5.023 50 0 IKAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)(C)C ZINC000036116936 568955766 /nfs/dbraw/zinc/95/57/66/568955766.db2.gz MXTDMNSUDGSTLB-JOCHJYFZSA-N 0 0 442.625 5.023 50 0 IKAARN Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1-c1ccccc1C)C(=O)N2C(C)C ZINC000064790064 568957291 /nfs/dbraw/zinc/95/72/91/568957291.db2.gz BQIYTAMFUJRZGY-QFIPXVFZSA-N 0 0 437.543 5.084 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)CC(C)C)cc2)c(CC(C)C)nn1-c1cccc(C)c1 ZINC000036124949 568958828 /nfs/dbraw/zinc/95/88/28/568958828.db2.gz GEIXPTYRZMHHEA-UHFFFAOYSA-N 0 0 447.579 5.956 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000006708338 568958830 /nfs/dbraw/zinc/95/88/30/568958830.db2.gz FSKUUUCFABCITH-YKSBVNFPSA-N 0 0 437.628 5.668 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C3CCCC3)cc2)c(C2CC2)nn1-c1cccc(C)c1 ZINC000036124863 568958883 /nfs/dbraw/zinc/95/88/83/568958883.db2.gz PEECPMFNOBIZCJ-UHFFFAOYSA-N 0 0 443.547 5.779 50 0 IKAARN Cc1cc(Nc2cccc(C(=O)Nc3cccc(C)c3C)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791600 568959113 /nfs/dbraw/zinc/95/91/13/568959113.db2.gz QPKNXPZCSYJWSM-UHFFFAOYSA-N 0 0 449.518 5.107 50 0 IKAARN Cc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1C ZINC000064798773 568960603 /nfs/dbraw/zinc/96/06/03/568960603.db2.gz NCTGCKIXRPVTHG-KRWDZBQOSA-N 0 0 431.966 5.325 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)n2)cc1 ZINC000064801375 568960935 /nfs/dbraw/zinc/96/09/35/568960935.db2.gz BJOMTCVNXBLBND-UHFFFAOYSA-N 0 0 438.535 6.533 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nc(N2CCCCC2)n1 ZINC000064801307 568960960 /nfs/dbraw/zinc/96/09/60/568960960.db2.gz NUCJAIRMRPXDDT-UHFFFAOYSA-N 0 0 430.556 5.780 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(Nc4ccc(C)cc4)n3)cc2)cc1 ZINC000064801147 568960978 /nfs/dbraw/zinc/96/09/78/568960978.db2.gz WEUXSOIZJBZUGU-UHFFFAOYSA-N 0 0 439.519 5.842 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)nc(NC2CCCCC2)n1 ZINC000064801391 568960984 /nfs/dbraw/zinc/96/09/84/568960984.db2.gz TZVNNNGVPXAGOR-UHFFFAOYSA-N 0 0 430.556 6.226 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)nc(N2CCCC2)n1 ZINC000064801478 568961013 /nfs/dbraw/zinc/96/10/13/568961013.db2.gz HQXWPZINPKPIEO-UHFFFAOYSA-N 0 0 438.535 5.926 50 0 IKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000064801155 568961052 /nfs/dbraw/zinc/96/10/52/568961052.db2.gz WEJCSHZURVHLTC-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064800862 568961211 /nfs/dbraw/zinc/96/12/11/568961211.db2.gz JTAXFENCTQBAEA-UHFFFAOYSA-N 0 0 442.350 5.688 50 0 IKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064800898 568961230 /nfs/dbraw/zinc/96/12/30/568961230.db2.gz CXBCHJPSXKVLME-UHFFFAOYSA-N 0 0 425.895 5.174 50 0 IKAARN COc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)nc(N3CCCCC3)n2)cc1 ZINC000064801486 568961438 /nfs/dbraw/zinc/96/14/38/568961438.db2.gz RHWMJWWHBKKADD-UHFFFAOYSA-N 0 0 432.528 5.172 50 0 IKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(C)nc(NC4CCCCC4)n3)cc2)c1 ZINC000064801664 568961489 /nfs/dbraw/zinc/96/14/89/568961489.db2.gz UQYAEUBCKLHUSX-UHFFFAOYSA-N 0 0 444.583 6.534 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)CC(C)(C)C)cc2)c(C(C)C)nn1-c1ccc(C)cc1 ZINC000036145271 568961735 /nfs/dbraw/zinc/96/17/35/568961735.db2.gz DYAMAASWCGNBOT-UHFFFAOYSA-N 0 0 447.579 6.271 50 0 IKAARN CC(=O)Oc1c(-c2ccc(NC(=O)c3ccco3)cc2)c(C(C)C)nn1-c1cccc(C)c1 ZINC000036145308 568961862 /nfs/dbraw/zinc/96/18/62/568961862.db2.gz QMHCUBWIJHRLKM-UHFFFAOYSA-N 0 0 443.503 5.742 50 0 IKAARN COc1cccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)CC(C)C)c1 ZINC000036149292 568962739 /nfs/dbraw/zinc/96/27/39/568962739.db2.gz CZOMPQDONJSNAV-UHFFFAOYSA-N 0 0 433.552 5.249 50 0 IKAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722134 568962965 /nfs/dbraw/zinc/96/29/65/568962965.db2.gz UOCSXVNDLHUOJO-SFHVURJKSA-N 0 0 427.564 5.317 50 0 IKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722133 568963044 /nfs/dbraw/zinc/96/30/44/568963044.db2.gz UOCSXVNDLHUOJO-GOSISDBHSA-N 0 0 427.564 5.317 50 0 IKAARN CC(C)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000006722299 568963066 /nfs/dbraw/zinc/96/30/66/568963066.db2.gz MKPKZTMPFUYRFL-FQEVSTJZSA-N 0 0 437.628 5.873 50 0 IKAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CC(C)C)C(=O)c2cccc(F)c2)c1 ZINC000006722481 568963108 /nfs/dbraw/zinc/96/31/08/568963108.db2.gz MOYAYRGRFZKELJ-UHFFFAOYSA-N 0 0 427.564 5.175 50 0 IKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C1CCCCC1 ZINC000006722751 568963125 /nfs/dbraw/zinc/96/31/25/568963125.db2.gz UZZXZHARILAQHV-UHFFFAOYSA-N 0 0 443.676 6.225 50 0 IKAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000006723062 568963289 /nfs/dbraw/zinc/96/32/89/568963289.db2.gz LFNSBGUTDHHRDX-DEOSSOPVSA-N 0 0 437.628 5.526 50 0 IKAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)C(C)(C)C)c1 ZINC000006722963 568963392 /nfs/dbraw/zinc/96/33/92/568963392.db2.gz LGZZFTVBHOKZJJ-UHFFFAOYSA-N 0 0 427.564 5.061 50 0 IKAARN CCn1cc([C@H](CC(=O)N2CCc3ccccc3C2)c2ccc(F)cc2)c2ccccc21 ZINC000006724281 568963493 /nfs/dbraw/zinc/96/34/93/568963493.db2.gz DPDAIZCCFWXEPF-RUZDIDTESA-N 0 0 426.535 5.907 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SC(C)(C)CN2C(=O)C2CCCC2)C1=O ZINC000036153109 568963508 /nfs/dbraw/zinc/96/35/08/568963508.db2.gz QCSNSWSYLBVZFR-AREMUKBSSA-N 0 0 434.605 5.239 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SC(C)(C)CN1C(=O)c1cccs1)C(=O)N2Cc1ccccc1 ZINC000036152192 568963577 /nfs/dbraw/zinc/96/35/77/568963577.db2.gz SCDTZVMFLKLUOS-VWLOTQADSA-N 0 0 448.613 5.424 50 0 IKAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)c2cccc(Cl)c2)C1=O ZINC000036152644 568963609 /nfs/dbraw/zinc/96/36/09/568963609.db2.gz BABDGIOLENTDCS-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@]23c2cc(C)ccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000036152685 568963668 /nfs/dbraw/zinc/96/36/68/568963668.db2.gz DJMIPQBRITTZGT-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN CC1(C)CN(C(=O)c2cccs2)[C@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152944 568963754 /nfs/dbraw/zinc/96/37/54/568963754.db2.gz WMNXGLJMHFYJAE-DEOSSOPVSA-N 0 0 434.586 5.116 50 0 IKAARN Cc1ccc(C(=O)N2CC(C)(C)S[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036152962 568963788 /nfs/dbraw/zinc/96/37/88/568963788.db2.gz DUCAZOUMHCSVLW-HHHXNRCGSA-N 0 0 442.584 5.362 50 0 IKAARN CCN1c2ccc(F)cc2[C@@]2(SC(C)(C)CN2C(=O)Nc2cccc(Cl)c2)C1=O ZINC000036151212 568963980 /nfs/dbraw/zinc/96/39/80/568963980.db2.gz XXPJDDZCLARBTG-OAQYLSRUSA-N 0 0 433.936 5.058 50 0 IKAARN CCN1c2ccc(F)cc2[C@@]2(SC(C)(C)CN2C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000036151261 568964002 /nfs/dbraw/zinc/96/40/02/568964002.db2.gz SPCONRKEHDSZFD-OAQYLSRUSA-N 0 0 433.936 5.058 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2ccc(OC)cc2OC)c1-c1cccs1 ZINC000064816670 568964161 /nfs/dbraw/zinc/96/41/61/568964161.db2.gz RVMNGXWKAMPJTR-UHFFFAOYSA-N 0 0 435.549 5.729 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2cc(OC)cc(OC)c2)c1-c1cccs1 ZINC000064816671 568964233 /nfs/dbraw/zinc/96/42/33/568964233.db2.gz FIJCESLVOWGDRQ-UHFFFAOYSA-N 0 0 435.549 5.729 50 0 IKAARN CCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000006724710 568964341 /nfs/dbraw/zinc/96/43/41/568964341.db2.gz ZFFYORGCAJCAHC-XMMPIXPASA-N 0 0 425.598 5.440 50 0 IKAARN CCn1nc(C)c2nc(SCc3cccc(Cl)c3)n(CCc3ccccc3)c(=O)c21 ZINC000064817104 568964368 /nfs/dbraw/zinc/96/43/68/568964368.db2.gz SGAFCEALHRPHIX-UHFFFAOYSA-N 0 0 438.984 5.110 50 0 IKAARN CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817169 568964400 /nfs/dbraw/zinc/96/44/00/568964400.db2.gz OWPPBPJXECIZLG-UHFFFAOYSA-N 0 0 432.593 5.187 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817334 568964518 /nfs/dbraw/zinc/96/45/18/568964518.db2.gz UPLCNDNVYMTXNX-UHFFFAOYSA-N 0 0 438.984 5.224 50 0 IKAARN CCn1nc(C)c2nc(SCc3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817403 568964532 /nfs/dbraw/zinc/96/45/32/568964532.db2.gz HLWKPVUMWPPWLD-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN CCn1nc(C)c2nc(SCc3cccc(F)c3)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817333 568964542 /nfs/dbraw/zinc/96/45/42/568964542.db2.gz MYYQXIBRKKKPSB-UHFFFAOYSA-N 0 0 442.947 5.054 50 0 IKAARN O=C(c1cccs1)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156318 568965163 /nfs/dbraw/zinc/96/51/63/568965163.db2.gz RPNBFKDPZJCJCN-UHFFFAOYSA-N 0 0 433.533 5.439 50 0 IKAARN O=C(Cc1ccccc1)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156340 568965262 /nfs/dbraw/zinc/96/52/62/568965262.db2.gz PXZCRTMPBRRFAT-UHFFFAOYSA-N 0 0 441.531 5.306 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1 ZINC000036156447 568965290 /nfs/dbraw/zinc/96/52/90/568965290.db2.gz UZGRJQUEQIEIIY-UHFFFAOYSA-N 0 0 435.955 5.648 50 0 IKAARN Cc1cccc(C(=O)N(Cc2ccco2)Cc2c(-c3ccccc3)noc2N2CCCC2)c1 ZINC000036156350 568965301 /nfs/dbraw/zinc/96/53/01/568965301.db2.gz MYCSASLZOGOCQI-UHFFFAOYSA-N 0 0 441.531 5.686 50 0 IKAARN O=C(NC1CCCCCCC1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819053 568965867 /nfs/dbraw/zinc/96/58/67/568965867.db2.gz GVWMPCYJIHISDP-UHFFFAOYSA-N 0 0 434.506 5.094 50 0 IKAARN CCc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819073 568965889 /nfs/dbraw/zinc/96/58/89/568965889.db2.gz BHEYGZKZAIHDKZ-INIZCTEOSA-N 0 0 428.458 5.066 50 0 IKAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819095 568966026 /nfs/dbraw/zinc/96/60/26/568966026.db2.gz HYZUIDJHDWZBSF-KRWDZBQOSA-N 0 0 442.485 5.627 50 0 IKAARN CC1(C)CN(C(=O)C2CCC2)[C@@]2(S1)c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000036155583 568966383 /nfs/dbraw/zinc/96/63/83/568966383.db2.gz RBYFGVZZDZMYCD-XMMPIXPASA-N 0 0 440.996 5.194 50 0 IKAARN CC[C@@]1(c2ccccc2)OC(c2cccc(NC(=O)c3ccccc3C)c2)=NN1C(C)=O ZINC000064819941 568966766 /nfs/dbraw/zinc/96/67/66/568966766.db2.gz WMDMJPYRLDVIND-SANMLTNESA-N 0 0 427.504 5.051 50 0 IKAARN Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(CC[NH+]3CCCCC3)CC2)c1 ZINC000064820541 568967200 /nfs/dbraw/zinc/96/72/00/568967200.db2.gz YKAVPFIELUFCDM-UHFFFAOYSA-N 0 0 449.595 5.038 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1ccccc1F ZINC000036161181 568967434 /nfs/dbraw/zinc/96/74/34/568967434.db2.gz VHXFKTWPLNYRNF-FQEVSTJZSA-N 0 0 449.570 6.158 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccc(F)c1 ZINC000036161186 568967482 /nfs/dbraw/zinc/96/74/82/568967482.db2.gz HACWTVZRIOKLPN-HXUWFJFHSA-N 0 0 449.570 6.158 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000036161729 568967663 /nfs/dbraw/zinc/96/76/63/568967663.db2.gz WLFRFFJRQQAKRU-AREMUKBSSA-N 0 0 443.572 5.284 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1cccc(C)c1 ZINC000036162151 568967737 /nfs/dbraw/zinc/96/77/37/568967737.db2.gz JOSTZJIURWJHOH-SANMLTNESA-N 0 0 443.572 5.284 50 0 IKAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000036161737 568967888 /nfs/dbraw/zinc/96/78/88/568967888.db2.gz SVUSCKMFEAWLEC-RUZDIDTESA-N 0 0 447.535 5.115 50 0 IKAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000036164488 568967968 /nfs/dbraw/zinc/96/79/68/568967968.db2.gz ALNPKFLDJANRLK-VWLOTQADSA-N 0 0 448.975 5.237 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3[C@]3(SCCN3C(=O)c3ccccc3C)C2=O)cc1 ZINC000036165271 568968116 /nfs/dbraw/zinc/96/81/16/568968116.db2.gz PERGNJPNFKTGPG-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc(CN2c3ccc(F)cc3[C@@]3(SCCN3C(=O)c3ccccc3C)C2=O)cc1 ZINC000036165269 568968137 /nfs/dbraw/zinc/96/81/37/568968137.db2.gz PERGNJPNFKTGPG-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc(CN2c3ccc(C)cc3[C@@]3(SCCN3C(=O)c3ccccc3C)C2=O)cc1 ZINC000036164838 568968180 /nfs/dbraw/zinc/96/81/80/568968180.db2.gz KANMCWHBKPYNOB-HHHXNRCGSA-N 0 0 442.584 5.201 50 0 IKAARN Cc1ccc(C(=O)N2CCS[C@@]23c2cc(C)ccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000036164970 568968223 /nfs/dbraw/zinc/96/82/23/568968223.db2.gz WBTPSDSIHRWENB-AREMUKBSSA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccc(F)c1)C(=O)N2Cc1cccc(C)c1 ZINC000036164901 568968237 /nfs/dbraw/zinc/96/82/37/568968237.db2.gz TYBSHDGOGJAUKG-SANMLTNESA-N 0 0 446.547 5.031 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)C3CCCC3)C2=O)cc1 ZINC000036165649 568968283 /nfs/dbraw/zinc/96/82/83/568968283.db2.gz SCNPOCMJTCFNAK-DEOSSOPVSA-N 0 0 440.996 5.114 50 0 IKAARN O=C(C1CCC1)N1CCS[C@]12c1cc(Cl)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165718 568968402 /nfs/dbraw/zinc/96/84/02/568968402.db2.gz WARCOERBSZOKHE-QFIPXVFZSA-N 0 0 447.387 5.069 50 0 IKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000006735377 568968680 /nfs/dbraw/zinc/96/86/80/568968680.db2.gz FKFLJEGTCKEPRA-XMMPIXPASA-N 0 0 426.557 5.822 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000006735404 568968711 /nfs/dbraw/zinc/96/87/11/568968711.db2.gz AHSOOSWFXHIYQR-OSPHWJPCSA-N 0 0 428.573 6.068 50 0 IKAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)c(C)c1 ZINC000064837586 568969406 /nfs/dbraw/zinc/96/94/06/568969406.db2.gz RIMVOZKJQAGZQK-UHFFFAOYSA-N 0 0 427.570 5.222 50 0 IKAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000064837548 568969415 /nfs/dbraw/zinc/96/94/15/568969415.db2.gz YZODBCDIXYESBR-UHFFFAOYSA-N 0 0 435.343 5.139 50 0 IKAARN CCc1nc2c(-c3ccccc3)noc2c(NCc2cc(Br)ccc2OC)n1 ZINC000064835280 568969465 /nfs/dbraw/zinc/96/94/65/568969465.db2.gz CDULNMPPBYXKBT-UHFFFAOYSA-N 0 0 439.313 5.230 50 0 IKAARN CCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OCC)cc2)c1 ZINC000006740240 568970345 /nfs/dbraw/zinc/97/03/45/568970345.db2.gz PBGYDUIZPLZSNA-XMMPIXPASA-N 0 0 426.582 5.773 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000064847901 568971339 /nfs/dbraw/zinc/97/13/39/568971339.db2.gz SZWHQXSODNKHLD-INIZCTEOSA-N 0 0 429.948 5.176 50 0 IKAARN COc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000064847903 568971428 /nfs/dbraw/zinc/97/14/28/568971428.db2.gz SZWHQXSODNKHLD-MRXNPFEDSA-N 0 0 429.948 5.176 50 0 IKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC1)N2 ZINC000064848177 568971642 /nfs/dbraw/zinc/97/16/42/568971642.db2.gz PXZKEHPUHKAMNQ-UHFFFAOYSA-N 0 0 449.620 5.323 50 0 biogenic IKAARN COc1ccc(C2=Nc3cc(C)ccc3N=C(c3ccc(C(C)(C)C)cc3)N2)cc1OC ZINC000006743630 568972046 /nfs/dbraw/zinc/97/20/46/568972046.db2.gz XULKTGDZUAAHSS-UHFFFAOYSA-N 0 0 427.548 6.260 50 0 IKAARN CSc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000064846670 568972066 /nfs/dbraw/zinc/97/20/66/568972066.db2.gz PAQOBVQUQGEUHV-UHFFFAOYSA-N 0 0 431.989 5.012 50 0 IKAARN Cc1ccc(-c2nc(C(=O)N3CCC(Cc4ccccc4)CC3)c3n2CCCCC3)cc1 ZINC000006749243 568972251 /nfs/dbraw/zinc/97/22/51/568972251.db2.gz NRMYAHRBHYAUPP-UHFFFAOYSA-N 0 0 427.592 5.680 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccccc1)C(=O)CC(C)(C)C ZINC000036208173 568973215 /nfs/dbraw/zinc/97/32/15/568973215.db2.gz AEDYZXMUIHXZKM-UHFFFAOYSA-N 0 0 433.596 6.153 50 0 IKAARN Cc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006751369 568973753 /nfs/dbraw/zinc/97/37/53/568973753.db2.gz BURLILZARURVGL-RNIPGJKVSA-N 0 0 425.569 5.815 50 0 biogenic IKAARN Cc1ccc(C)c(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c1 ZINC000006752586 568973868 /nfs/dbraw/zinc/97/38/68/568973868.db2.gz CIFVFSLELJMRHY-UHFFFAOYSA-N 0 0 433.596 5.361 50 0 IKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3NC2=O)c1 ZINC000036209945 568974456 /nfs/dbraw/zinc/97/44/56/568974456.db2.gz SQYUXQJJOVQNQQ-KUODWWIXSA-N 0 0 436.577 5.335 50 0 IKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3C)c2)c1C ZINC000064867181 568974988 /nfs/dbraw/zinc/97/49/88/568974988.db2.gz FNOKOXPQMKXIOH-UHFFFAOYSA-N 0 0 446.956 5.031 50 0 IKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3C)c2)c1C ZINC000064867087 568975019 /nfs/dbraw/zinc/97/50/19/568975019.db2.gz JCQGMDXMZBSTCU-UHFFFAOYSA-N 0 0 446.956 5.031 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)cc1 ZINC000006753178 568975316 /nfs/dbraw/zinc/97/53/16/568975316.db2.gz AVWMXUJDFQVROP-CTNGQTDRSA-N 0 0 425.532 5.565 50 0 IKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 ZINC000006753162 568975359 /nfs/dbraw/zinc/97/53/59/568975359.db2.gz QFYXLLXJJHKDKX-NRFANRHFSA-N 0 0 425.532 5.198 50 0 IKAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1cc(C)ccc1C ZINC000064869581 568976148 /nfs/dbraw/zinc/97/61/48/568976148.db2.gz AMDXCOBLVHNLGL-NRFANRHFSA-N 0 0 437.565 5.356 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(F)c(Cl)c2)=Nc2ccccc2N1 ZINC000064869760 568976474 /nfs/dbraw/zinc/97/64/74/568976474.db2.gz UFQKLEJKFHOLJZ-UHFFFAOYSA-N 0 0 447.919 5.144 50 0 IKAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(F)cc2Cl)=Nc2ccccc2N1 ZINC000064869765 568976487 /nfs/dbraw/zinc/97/64/87/568976487.db2.gz VDEOMCQQBFMIBQ-UHFFFAOYSA-N 0 0 447.919 5.144 50 0 IKAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869897 568976542 /nfs/dbraw/zinc/97/65/42/568976542.db2.gz WMKZWNUGWIFVBC-CQSZACIVSA-N 0 0 443.956 5.393 50 0 IKAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1C ZINC000064871959 568977951 /nfs/dbraw/zinc/97/79/51/568977951.db2.gz JWFVIHRGFPORRD-UHFFFAOYSA-N 0 0 428.579 5.059 50 0 IKAARN CCCCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1 ZINC000064872032 568978109 /nfs/dbraw/zinc/97/81/09/568978109.db2.gz XFAUPDFCGQXPHZ-UHFFFAOYSA-N 0 0 446.569 5.307 50 0 IKAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000064872013 568978130 /nfs/dbraw/zinc/97/81/30/568978130.db2.gz HFKRVRVPTMPJKB-UHFFFAOYSA-N 0 0 434.970 5.041 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(-n3nc(OCc4ccc(Cl)cc4)ccc3=O)cc2)cc1 ZINC000064873184 568978226 /nfs/dbraw/zinc/97/82/26/568978226.db2.gz BRVLKUBNNGMXOY-UHFFFAOYSA-N 0 0 445.906 5.026 50 0 IKAARN Cc1cccc(-c2csc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2-n2cccc2)c1 ZINC000064872281 568978470 /nfs/dbraw/zinc/97/84/70/568978470.db2.gz TWCKXXIMEDISFV-UHFFFAOYSA-N 0 0 442.462 6.665 50 0 IKAARN O=C(Nc1cccc2ccccc21)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC000064872443 568978476 /nfs/dbraw/zinc/97/84/76/568978476.db2.gz PDCNJUOERDFODE-UHFFFAOYSA-N 0 0 426.495 5.291 50 0 IKAARN Cc1cccc(-c2csc(C(=O)Nc3ccc(Br)cc3)c2-n2cccc2)c1 ZINC000064872280 568978479 /nfs/dbraw/zinc/97/84/79/568978479.db2.gz MNTJWYJTNWIGCO-UHFFFAOYSA-N 0 0 437.362 6.529 50 0 IKAARN CCCn1c(SCc2csc(N(CC)C(C)=O)n2)nnc1-c1ccc(Cl)cc1 ZINC000036229228 568978623 /nfs/dbraw/zinc/97/86/23/568978623.db2.gz LEVKQFXXUHEAER-UHFFFAOYSA-N 0 0 436.006 5.130 50 0 IKAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000064888034 568979139 /nfs/dbraw/zinc/97/91/39/568979139.db2.gz KJIJAKWYWRNTDW-UHFFFAOYSA-N 0 0 433.577 5.114 50 0 IKAARN COc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CCCC3)cc1OC ZINC000006768690 568979833 /nfs/dbraw/zinc/97/98/33/568979833.db2.gz QPMSOZLRNNWAIK-OAHLLOKOSA-N 0 0 425.554 5.318 50 0 IKAARN O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000064889502 568980482 /nfs/dbraw/zinc/98/04/82/568980482.db2.gz NUBJTWDFYOVLGI-JLHYYAGUSA-N 0 0 448.954 5.020 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCCOC)C(=O)c1cccc(C)c1 ZINC000036245880 568981455 /nfs/dbraw/zinc/98/14/55/568981455.db2.gz AWTPPQRWPPXALZ-UHFFFAOYSA-N 0 0 435.568 5.175 50 0 IKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 ZINC000036245831 568981521 /nfs/dbraw/zinc/98/15/21/568981521.db2.gz WXNNHGJXJDANLN-IBGZPJMESA-N 0 0 439.581 5.071 50 0 IKAARN CCNC(=S)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 ZINC000036245823 568981586 /nfs/dbraw/zinc/98/15/86/568981586.db2.gz KZUXMZSZLNTYNM-UHFFFAOYSA-N 0 0 438.597 5.068 50 0 IKAARN CC(C)N(C)c1onc(-c2ccccc2)c1CN(Cc1ccco1)C(=O)c1ccc(F)cc1 ZINC000036245940 568981658 /nfs/dbraw/zinc/98/16/58/568981658.db2.gz OGFJXYZKMNOJNM-UHFFFAOYSA-N 0 0 447.510 5.761 50 0 IKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000036245936 568981715 /nfs/dbraw/zinc/98/17/15/568981715.db2.gz HMKXRHLTKBXLJU-GOSISDBHSA-N 0 0 449.551 5.356 50 0 IKAARN COc1cc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000036246330 568981747 /nfs/dbraw/zinc/98/17/47/568981747.db2.gz OVMSBGVQXILSQA-UHFFFAOYSA-N 0 0 431.941 5.061 50 0 IKAARN Cc1ccccc1C(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036245956 568981749 /nfs/dbraw/zinc/98/17/49/568981749.db2.gz HPQKPQRMCVPEDY-UHFFFAOYSA-N 0 0 443.547 5.930 50 0 IKAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000036246421 568981916 /nfs/dbraw/zinc/98/19/16/568981916.db2.gz ISFAXRMVEQGBCS-UHFFFAOYSA-N 0 0 427.394 5.379 50 0 IKAARN COc1ccc([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246758 568981941 /nfs/dbraw/zinc/98/19/41/568981941.db2.gz DACHYRBHKUHODW-HNNXBMFYSA-N 0 0 449.931 5.453 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246811 568981974 /nfs/dbraw/zinc/98/19/74/568981974.db2.gz LTEHOQGFBGUOIL-QGZVFWFLSA-N 0 0 445.968 5.622 50 0 IKAARN COc1ccc(N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2F)cc1 ZINC000036247088 568982043 /nfs/dbraw/zinc/98/20/43/568982043.db2.gz ILGJFXMXZVEDAF-UHFFFAOYSA-N 0 0 439.430 5.249 50 0 IKAARN COc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246973 568982075 /nfs/dbraw/zinc/98/20/75/568982075.db2.gz NSHORBBRONGSHL-UHFFFAOYSA-N 0 0 446.366 5.162 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246867 568982120 /nfs/dbraw/zinc/98/21/20/568982120.db2.gz KOMBLCOQNLQVJJ-MRXNPFEDSA-N 0 0 431.941 5.314 50 0 IKAARN COc1cccc([C@@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246921 568982126 /nfs/dbraw/zinc/98/21/26/568982126.db2.gz LNWKQOUOFWZJTF-OAHLLOKOSA-N 0 0 436.360 5.959 50 0 IKAARN COc1cccc([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246931 568982168 /nfs/dbraw/zinc/98/21/68/568982168.db2.gz CTPXSFOXBKIQLZ-OAHLLOKOSA-N 0 0 436.360 5.959 50 0 IKAARN COc1ccc(OC)c([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246855 568982183 /nfs/dbraw/zinc/98/21/83/568982183.db2.gz FJVDXXYQRGTZGE-QGZVFWFLSA-N 0 0 445.968 5.622 50 0 IKAARN O=S(=O)(c1ccccc1F)N(Cc1ccccc1F)c1ccc(Br)cc1 ZINC000036247619 568982260 /nfs/dbraw/zinc/98/22/60/568982260.db2.gz YSFJVWXDUHCMTK-UHFFFAOYSA-N 0 0 438.293 5.123 50 0 IKAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2cccc(Br)c2)cc1 ZINC000036247845 568982507 /nfs/dbraw/zinc/98/25/07/568982507.db2.gz YGPSUGGLYUOQNE-UHFFFAOYSA-N 0 0 446.366 5.162 50 0 IKAARN O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1ccc(Cl)cc1)c1ccccc1F ZINC000036248367 568982569 /nfs/dbraw/zinc/98/25/69/568982569.db2.gz WZBPLFRWMXGICB-UHFFFAOYSA-N 0 0 428.287 5.667 50 0 IKAARN COc1cc(CN(c2cccc(F)c2)S(=O)(=O)c2cccc(Cl)c2C)cc(OC)c1 ZINC000036248325 568982582 /nfs/dbraw/zinc/98/25/82/568982582.db2.gz BPZRPOAXAPLWGB-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN COc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cccc(Br)c2)c1 ZINC000036248060 568982627 /nfs/dbraw/zinc/98/26/27/568982627.db2.gz YHYGUVSGOZRVIC-UHFFFAOYSA-N 0 0 446.366 5.162 50 0 IKAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2C)cc1OC ZINC000036248465 568982728 /nfs/dbraw/zinc/98/27/28/568982728.db2.gz FENTYTIIGUIBSF-UHFFFAOYSA-N 0 0 449.931 5.200 50 0 IKAARN COc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2C)c1 ZINC000036248833 568983066 /nfs/dbraw/zinc/98/30/66/568983066.db2.gz RWTILUNBMDQHDA-UHFFFAOYSA-N 0 0 446.366 5.162 50 0 IKAARN O=C(c1ccc(Cl)cc1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249445 568983217 /nfs/dbraw/zinc/98/32/17/568983217.db2.gz VEHHIPNLGFUXBB-UHFFFAOYSA-N 0 0 435.955 5.790 50 0 IKAARN COc1ccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248621 568983389 /nfs/dbraw/zinc/98/33/89/568983389.db2.gz PRQBUJSEDHFGNT-MRXNPFEDSA-N 0 0 433.932 5.753 50 0 IKAARN COc1ccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248730 568983431 /nfs/dbraw/zinc/98/34/31/568983431.db2.gz LCEFKPBKCPGLRM-MRXNPFEDSA-N 0 0 447.503 5.247 50 0 IKAARN CCCN(CCC(=O)Nc1ccc(OC)cc1)c1nc(CC)nc2cc(Cl)ccc21 ZINC000006775094 568983565 /nfs/dbraw/zinc/98/35/65/568983565.db2.gz KKZDDXONBUXDHY-UHFFFAOYSA-N 0 0 426.948 5.099 50 0 IKAARN Cc1ccc(-c2nccc(N3CCC[C@H](C(=O)NCc4ccc(C(C)C)cc4)C3)n2)cc1 ZINC000064929017 568987234 /nfs/dbraw/zinc/98/72/34/568987234.db2.gz ZZHHWKBRJIEEQZ-DEOSSOPVSA-N 0 0 428.580 5.108 50 0 IKAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)Nc3cc(C)ccc3C)s2)cc1 ZINC000064930574 568989065 /nfs/dbraw/zinc/98/90/65/568989065.db2.gz YXJGNPFREGJRCR-IBGZPJMESA-N 0 0 435.553 5.085 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000006798827 568989858 /nfs/dbraw/zinc/98/98/58/568989858.db2.gz KHNJWDDPDAAQHF-GQIGUUNPSA-N 0 0 427.013 6.835 50 0 IKAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)c(Cl)c1 ZINC000064944235 568993253 /nfs/dbraw/zinc/99/32/53/568993253.db2.gz UJUMQMQOPBOOEY-UHFFFAOYSA-N 0 0 448.017 5.159 50 0 IKAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(CC)cc3)c2s1 ZINC000064944460 568993360 /nfs/dbraw/zinc/99/33/60/568993360.db2.gz WPPNJOGVNIJDNP-UHFFFAOYSA-N 0 0 429.615 5.006 50 0 IKAARN Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1ccc(OCc2ccccc2)cc1 ZINC000064948749 568994509 /nfs/dbraw/zinc/99/45/09/568994509.db2.gz JECKYWWRAVUANB-UHFFFAOYSA-N 0 0 443.507 5.358 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H](O)COC(C)C)C1CC1 ZINC000036304785 568994650 /nfs/dbraw/zinc/99/46/50/568994650.db2.gz ZZKLITGBAFFVAD-DEOSSOPVSA-N 0 0 449.595 5.032 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@@H](O)COC(C)C)C1CC1 ZINC000036304788 568994754 /nfs/dbraw/zinc/99/47/54/568994754.db2.gz ZZKLITGBAFFVAD-XMMPIXPASA-N 0 0 449.595 5.032 50 0 IKAARN CCc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 ZINC000064950077 568995591 /nfs/dbraw/zinc/99/55/91/568995591.db2.gz VHRFLSLUPDNWNF-UHFFFAOYSA-N 0 0 428.879 5.319 50 0 IKAARN CCc1ccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1 ZINC000064950087 568995595 /nfs/dbraw/zinc/99/55/95/568995595.db2.gz ZYMBRWWGKZVNCN-UHFFFAOYSA-N 0 0 428.879 5.319 50 0 IKAARN CSc1cccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)c1 ZINC000064950145 568995651 /nfs/dbraw/zinc/99/56/51/568995651.db2.gz PKHALFNOHLMUSV-UHFFFAOYSA-N 0 0 446.919 5.478 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N3C[C@@H](C)C[C@H](C)C3)c(C)c12 ZINC000006808953 568997962 /nfs/dbraw/zinc/99/79/62/568997962.db2.gz SDFRDZTWGLMJJD-IRXDYDNUSA-N 0 0 432.612 5.400 50 0 IKAARN COc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)CC2CC2)cc1 ZINC000036312689 568997976 /nfs/dbraw/zinc/99/79/76/568997976.db2.gz LGGWDDBRPCSOLG-UHFFFAOYSA-N 0 0 445.563 5.393 50 0 IKAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C(=O)c1cccc(C)c1 ZINC000036312800 568997988 /nfs/dbraw/zinc/99/79/88/568997988.db2.gz VPMVNJWCJXTATJ-OAQYLSRUSA-N 0 0 447.579 5.318 50 0 IKAARN O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036312700 568998005 /nfs/dbraw/zinc/99/80/05/568998005.db2.gz FBAUCGUXMAVBJS-UHFFFAOYSA-N 0 0 433.527 5.523 50 0 IKAARN CCOc1cc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)ccc1OC ZINC000064955691 568998701 /nfs/dbraw/zinc/99/87/01/568998701.db2.gz CEIWHOMUDWWEKJ-UHFFFAOYSA-N 0 0 449.938 5.075 50 0 IKAARN COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1OC ZINC000064956063 568998728 /nfs/dbraw/zinc/99/87/28/568998728.db2.gz JLVKZSUVPPPFEV-MRXNPFEDSA-N 0 0 449.938 5.246 50 0 IKAARN CCOc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955666 568998741 /nfs/dbraw/zinc/99/87/41/568998741.db2.gz AQCZRLJENOANHT-KRWDZBQOSA-N 0 0 433.939 5.628 50 0 IKAARN CC[C@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)CC(C)(C)C ZINC000036314245 568998909 /nfs/dbraw/zinc/99/89/09/568998909.db2.gz IJPGOVSCJDKTSO-IBGZPJMESA-N 0 0 427.589 5.050 50 0 IKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](OCc2ccc(Br)cc2)C1 ZINC000036314931 568999432 /nfs/dbraw/zinc/99/94/32/568999432.db2.gz SNXDJYHNIMBKBV-SFHVURJKSA-N 0 0 442.275 5.289 50 0 IKAARN Cc1cccc(NC(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)c1 ZINC000064957121 568999475 /nfs/dbraw/zinc/99/94/75/568999475.db2.gz ISLHIZWNWYZERJ-UHFFFAOYSA-N 0 0 426.520 5.153 50 0 IKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315259 568999658 /nfs/dbraw/zinc/99/96/58/568999658.db2.gz XTWHUKOSBWVUKR-INIZCTEOSA-N 0 0 432.269 5.834 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(Cl)cc3)c2c(NC[C@H](C)c2ccccc2)n1 ZINC000064960234 569000157 /nfs/dbraw/zinc/00/01/57/569000157.db2.gz GNSZHECPQJBRHD-AWEZNQCLSA-N 0 0 436.899 5.331 50 0 IKAARN CCOC(=O)c1nc2onc(-c3ccc(Cl)cc3)c2c(Nc2ccc(C)c(Cl)c2)n1 ZINC000064960228 569000225 /nfs/dbraw/zinc/00/02/25/569000225.db2.gz YBTBZFRGWOWMCR-UHFFFAOYSA-N 0 0 443.290 5.820 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685697 569000404 /nfs/dbraw/zinc/00/04/04/569000404.db2.gz YAKMPOFBWBYOOA-RDPSFJRHSA-N 0 0 432.476 5.016 50 0 IKAARN CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000169685676 569000448 /nfs/dbraw/zinc/00/04/48/569000448.db2.gz DTFVQLHCRPOFPV-DHLKQENFSA-N 0 0 446.478 5.253 50 0 IKAARN CCCn1cc(-c2nc(-c3ccccc3Br)no2)c(=O)c2cc(F)ccc21 ZINC000064963712 569000690 /nfs/dbraw/zinc/00/06/90/569000690.db2.gz WLTUOZUNRVLALQ-UHFFFAOYSA-N 0 0 428.261 5.030 50 0 IKAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000064967513 569001219 /nfs/dbraw/zinc/00/12/19/569001219.db2.gz JGZZVSATCCBMCK-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000064967512 569001268 /nfs/dbraw/zinc/00/12/68/569001268.db2.gz NPXZQDJVJPMZLK-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN CSc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000064967139 569001591 /nfs/dbraw/zinc/00/15/91/569001591.db2.gz LHQPYYSULZVEJT-UHFFFAOYSA-N 0 0 431.586 6.335 50 0 IKAARN CC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1 ZINC000064967147 569001633 /nfs/dbraw/zinc/00/16/33/569001633.db2.gz HHWKFHFOMPWOBT-UHFFFAOYSA-N 0 0 427.529 5.816 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(F)c(C)c3)C2)cc1 ZINC000064967229 569001666 /nfs/dbraw/zinc/00/16/66/569001666.db2.gz VVAPRYIUCANRGL-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1 ZINC000064967154 569001669 /nfs/dbraw/zinc/00/16/69/569001669.db2.gz LMOZFMLKDZWUAG-UHFFFAOYSA-N 0 0 429.545 6.012 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000064967184 569001684 /nfs/dbraw/zinc/00/16/84/569001684.db2.gz IKTQGGCRXHPDAA-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(C)cc3)C2)cc1 ZINC000064967190 569001701 /nfs/dbraw/zinc/00/17/01/569001701.db2.gz OTDHDZAKZUKWRZ-UHFFFAOYSA-N 0 0 429.545 5.930 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccc(Cl)cc3)C2)cc1 ZINC000064967241 569001703 /nfs/dbraw/zinc/00/17/03/569001703.db2.gz DNLRCIYDPSIAON-UHFFFAOYSA-N 0 0 447.991 6.253 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000064967243 569001719 /nfs/dbraw/zinc/00/17/19/569001719.db2.gz CIXGHJRLSVXBDZ-UHFFFAOYSA-N 0 0 431.536 5.738 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3c(C)cccc3C)C2)cc1 ZINC000064967183 569001721 /nfs/dbraw/zinc/00/17/21/569001721.db2.gz YZRXNINIHOCUIN-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000064967257 569001772 /nfs/dbraw/zinc/00/17/72/569001772.db2.gz KBUBQBIUHHXGOC-UHFFFAOYSA-N 0 0 431.536 6.369 50 0 IKAARN COc1ccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000064967266 569001784 /nfs/dbraw/zinc/00/17/84/569001784.db2.gz LGVSEOCQAZEWEV-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1C ZINC000064967424 569001894 /nfs/dbraw/zinc/00/18/94/569001894.db2.gz YLPZOAJBVCCOIJ-UHFFFAOYSA-N 0 0 435.915 5.121 50 0 IKAARN O=C(NCCSC12CC3CC(CC(C3)C1)C2)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064968027 569001926 /nfs/dbraw/zinc/00/19/26/569001926.db2.gz IEMQNZRHOVCNEH-UHFFFAOYSA-N 0 0 446.616 5.850 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1 ZINC000064968199 569076089 /nfs/dbraw/zinc/07/60/89/569076089.db2.gz KCSALHNWKVLXAK-UHFFFAOYSA-N 0 0 428.532 5.722 50 0 IKAARN COc1cccc(OC(=O)c2cn(-c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c1 ZINC000064977329 569077073 /nfs/dbraw/zinc/07/70/73/569077073.db2.gz DZTRIHPEEDCZGV-UHFFFAOYSA-N 0 0 439.389 5.237 50 0 IKAARN COc1ccc(-n2cc(C(=O)Oc3cc(C)ccc3Cl)c3ccccc3c2=O)cc1OC ZINC000064977286 569077523 /nfs/dbraw/zinc/07/75/23/569077523.db2.gz XQXZHANQHPWHNF-UHFFFAOYSA-N 0 0 449.890 5.189 50 0 IKAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccc(C(C)C)cc1)c(C)n2C ZINC000064977692 569077530 /nfs/dbraw/zinc/07/75/30/569077530.db2.gz WQUQTYMOWCHYJF-UHFFFAOYSA-N 0 0 442.563 5.012 50 0 IKAARN CCN1c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2Sc2ccccc2C1=O ZINC000064977730 569077541 /nfs/dbraw/zinc/07/75/41/569077541.db2.gz GOOANURWUWXTJZ-UHFFFAOYSA-N 0 0 443.355 6.377 50 0 IKAARN CCN1c2ccc(NC(=O)c3ccc(Br)o3)cc2Sc2ccccc2C1=O ZINC000064977731 569077607 /nfs/dbraw/zinc/07/76/07/569077607.db2.gz SPSFNGIYUANJAJ-UHFFFAOYSA-N 0 0 443.322 5.426 50 0 IKAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CCCC1)c1ccccc1F ZINC000064979839 569078288 /nfs/dbraw/zinc/07/82/88/569078288.db2.gz JWHMXPKUVVQYJO-UHFFFAOYSA-N 0 0 432.520 6.132 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1 ZINC000064979798 569078332 /nfs/dbraw/zinc/07/83/32/569078332.db2.gz VSROBJTVSHVFDX-UHFFFAOYSA-N 0 0 434.948 5.795 50 0 IKAARN CCN1c2ccc(-c3noc([C@H](C)Oc4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064980163 569078337 /nfs/dbraw/zinc/07/83/37/569078337.db2.gz RQJGXDSEXMDTFE-INIZCTEOSA-N 0 0 443.528 6.008 50 0 IKAARN CCCN1c2ccc(-c3noc(/C=C/c4cccs4)n3)cc2Sc2ccccc2C1=O ZINC000064980234 569078343 /nfs/dbraw/zinc/07/83/43/569078343.db2.gz PRMIBZAOVFNVAX-ZRDIBKRKSA-N 0 0 445.569 6.490 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980207 569078359 /nfs/dbraw/zinc/07/83/59/569078359.db2.gz RJHPTENIQSTNFW-UHFFFAOYSA-N 0 0 443.528 5.934 50 0 IKAARN CCCN1c2ccc(-c3noc(-c4cccc(C)c4)n3)cc2Sc2ccccc2C1=O ZINC000064980201 569078366 /nfs/dbraw/zinc/07/83/66/569078366.db2.gz MHLBZPCJBDFLBW-UHFFFAOYSA-N 0 0 427.529 6.233 50 0 IKAARN CCN1c2ccc(-c3noc([C@@H](C)Oc4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064980162 569078391 /nfs/dbraw/zinc/07/83/91/569078391.db2.gz RQJGXDSEXMDTFE-MRXNPFEDSA-N 0 0 443.528 6.008 50 0 IKAARN CCN1c2ccc(-c3noc(C4(c5ccccc5)CC4)n3)cc2Sc2ccccc2C1=O ZINC000064980161 569078417 /nfs/dbraw/zinc/07/84/17/569078417.db2.gz WJYITROJAJTGIK-UHFFFAOYSA-N 0 0 439.540 5.948 50 0 IKAARN Cc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C3CC3)no2)cc1F ZINC000064980270 569078537 /nfs/dbraw/zinc/07/85/37/569078537.db2.gz DATHNEUYGSBYKX-UHFFFAOYSA-N 0 0 443.503 6.125 50 0 IKAARN O=C(Nc1nn2c(nnc2-c2ccc(Cl)cc2)s1)C(c1ccccc1)c1ccccc1 ZINC000064980496 569078543 /nfs/dbraw/zinc/07/85/43/569078543.db2.gz KQVCAWXDBJVIGM-UHFFFAOYSA-N 0 0 445.935 5.277 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(Cc4cccs4)n3)ccc2N1C1CC1 ZINC000064980254 569078550 /nfs/dbraw/zinc/07/85/50/569078550.db2.gz JRNMVOCZTIRXQP-UHFFFAOYSA-N 0 0 431.542 5.663 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(/C=C\c4ccco4)n3)ccc2N1C1CC1 ZINC000064980262 569078552 /nfs/dbraw/zinc/07/85/52/569078552.db2.gz HNBBVMACBVCDFZ-BENRWUELSA-N 0 0 427.485 5.774 50 0 IKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc2N1C1CC1 ZINC000064980251 569078553 /nfs/dbraw/zinc/07/85/53/569078553.db2.gz LRDCWLHKRIUYBY-UHFFFAOYSA-N 0 0 445.931 6.331 50 0 IKAARN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036340906 569078682 /nfs/dbraw/zinc/07/86/82/569078682.db2.gz CVKMSWOKOSTYOS-VWLOTQADSA-N 0 0 431.967 5.458 50 0 IKAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341020 569079109 /nfs/dbraw/zinc/07/91/09/569079109.db2.gz JTQQXFWNVWBIPC-VWLOTQADSA-N 0 0 447.966 5.158 50 0 IKAARN CC1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341000 569079126 /nfs/dbraw/zinc/07/91/26/569079126.db2.gz KDJUJWYPXKBBFA-QFIPXVFZSA-N 0 0 430.379 5.403 50 0 IKAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341060 569079154 /nfs/dbraw/zinc/07/91/54/569079154.db2.gz ZSSVTTOPTXXYJL-VWLOTQADSA-N 0 0 447.966 5.158 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340986 569079171 /nfs/dbraw/zinc/07/91/71/569079171.db2.gz LVGFNJWEEPEFFM-SANMLTNESA-N 0 0 445.994 5.767 50 0 IKAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036341195 569079219 /nfs/dbraw/zinc/07/92/19/569079219.db2.gz LQBYMMUAWXIERS-RUZDIDTESA-N 0 0 447.966 5.158 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344781 569080180 /nfs/dbraw/zinc/08/01/80/569080180.db2.gz UNEBXUDDNWGOMX-AREMUKBSSA-N 0 0 429.539 5.252 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344802 569080297 /nfs/dbraw/zinc/08/02/97/569080297.db2.gz KLYFRWKUDRBMEY-SANMLTNESA-N 0 0 429.539 5.252 50 0 IKAARN Cc1ccc(C)c(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c1 ZINC000036345016 569080446 /nfs/dbraw/zinc/08/04/46/569080446.db2.gz PFAHHAGKLMFRMJ-HHHXNRCGSA-N 0 0 425.576 5.422 50 0 IKAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344988 569080451 /nfs/dbraw/zinc/08/04/51/569080451.db2.gz SBKVFUMURSZDEY-MUUNZHRXSA-N 0 0 437.587 5.348 50 0 IKAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)Cc2ccccc2)c(C)c1 ZINC000036345744 569080920 /nfs/dbraw/zinc/08/09/20/569080920.db2.gz YTYFOMBPHYXQLU-AREMUKBSSA-N 0 0 429.539 5.252 50 0 IKAARN CCOc1cc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347386 569081457 /nfs/dbraw/zinc/08/14/57/569081457.db2.gz KKZZVXKAXSFUSS-QHCPKHFHSA-N 0 0 430.470 5.607 50 0 IKAARN Clc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347527 569081549 /nfs/dbraw/zinc/08/15/49/569081549.db2.gz QMXDRLKPZSVNKS-HHHXNRCGSA-N 0 0 428.963 6.929 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(Cl)cc2)c(OC)c1OC ZINC000036347454 569081620 /nfs/dbraw/zinc/08/16/20/569081620.db2.gz LBUGJTXMUIEVKC-QFIPXVFZSA-N 0 0 426.944 5.163 50 0 IKAARN Clc1cccc([C@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347526 569081629 /nfs/dbraw/zinc/08/16/29/569081629.db2.gz QMXDRLKPZSVNKS-MHZLTWQESA-N 0 0 428.963 6.929 50 0 IKAARN COc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c(OC)c1OC ZINC000036347545 569081671 /nfs/dbraw/zinc/08/16/71/569081671.db2.gz CJXWATRXLHKOFU-JOCHJYFZSA-N 0 0 426.944 5.163 50 0 IKAARN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000036348544 569081716 /nfs/dbraw/zinc/08/17/16/569081716.db2.gz CPXULEDKHLOAAH-VWLOTQADSA-N 0 0 434.580 5.633 50 0 IKAARN Clc1ccccc1CSc1cnnc(Cl)c1SCc1ccccc1Cl ZINC000001693178 569081914 /nfs/dbraw/zinc/08/19/14/569081914.db2.gz LLIMUFIOYOLDTR-UHFFFAOYSA-N 0 0 427.809 7.021 50 0 IKAARN COc1cc(NC(=O)c2ccc(-c3cc(NC4CCCCC4)ncn3)cc2)cc(OC)c1 ZINC000064989508 569083018 /nfs/dbraw/zinc/08/30/18/569083018.db2.gz SRAYMXQNTXDAHH-UHFFFAOYSA-N 0 0 432.524 5.158 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cc(NC4CCCCC4)ncn3)c2)c(OC)c1 ZINC000064989628 569083044 /nfs/dbraw/zinc/08/30/44/569083044.db2.gz NFXOWZJWHJSEMU-UHFFFAOYSA-N 0 0 432.524 5.158 50 0 IKAARN COc1cccc2c1O[C@@H](c1ccc(C(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000036352151 569083682 /nfs/dbraw/zinc/08/36/82/569083682.db2.gz MASKWKLWSWQJQG-BVAGGSTKSA-N 0 0 432.951 6.714 50 0 IKAARN CC(C)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000036350560 569083759 /nfs/dbraw/zinc/08/37/59/569083759.db2.gz GCUNXFHHCXMPOA-IAPPQJPRSA-N 0 0 426.560 6.840 50 0 IKAARN CCc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)c1 ZINC000036349779 569083775 /nfs/dbraw/zinc/08/37/75/569083775.db2.gz GBHMTKSPLIAZGY-UHFFFAOYSA-N 0 0 432.511 7.266 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000036352264 569084056 /nfs/dbraw/zinc/08/40/56/569084056.db2.gz IELBFTGGLDGNHY-NOZRDPDXSA-N 0 0 432.545 5.668 50 0 IKAARN C[C@H](CC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)CC(C)(C)C ZINC000006834338 569084407 /nfs/dbraw/zinc/08/44/07/569084407.db2.gz ICDARQLKKUDSCC-WAIKUNEKSA-N 0 0 428.573 6.005 50 0 IKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3ccccc3Cl)o1)CC(=O)N2 ZINC000036356883 569084426 /nfs/dbraw/zinc/08/44/26/569084426.db2.gz JMMJHAKMVPURSE-CYBMUJFWSA-N 0 0 440.290 5.661 50 0 IKAARN CC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Nc4c3c(C)nn4-c3ccc(Cl)nn3)o2)cc1 ZINC000036357233 569084459 /nfs/dbraw/zinc/08/44/59/569084459.db2.gz XSEWQRQHYRINAC-INIZCTEOSA-N 0 0 447.882 5.210 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(OC)c2)c1 ZINC000006834165 569084479 /nfs/dbraw/zinc/08/44/79/569084479.db2.gz NTBRGEKZBMAGHY-MZNJEOGPSA-N 0 0 426.582 5.629 50 0 IKAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1OC ZINC000006838152 569085056 /nfs/dbraw/zinc/08/50/56/569085056.db2.gz FEXZACRANGTKGV-MZNJEOGPSA-N 0 0 426.582 5.629 50 0 IKAARN CC[C@@H](C(=O)Nc1nnc(SCc2ccc(C(C)(C)C)cc2)s1)c1ccccc1 ZINC000006837178 569085104 /nfs/dbraw/zinc/08/51/04/569085104.db2.gz FGBHNSKCIWGDOZ-LJQANCHMSA-N 0 0 425.623 6.260 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000064998552 569085302 /nfs/dbraw/zinc/08/53/02/569085302.db2.gz FJTYEQCGLLPSGD-INIZCTEOSA-N 0 0 431.565 5.115 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NC[C@@H](C)c1ccccc1 ZINC000064998704 569085423 /nfs/dbraw/zinc/08/54/23/569085423.db2.gz JSSALBPOYAEVID-QGZVFWFLSA-N 0 0 445.592 5.158 50 0 IKAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)Nc3ccccc3Cl)c2C1 ZINC000065000213 569085886 /nfs/dbraw/zinc/08/58/86/569085886.db2.gz UQBMTGNUVKRFDB-UHFFFAOYSA-N 0 0 438.886 5.037 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccc(Cl)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000461 569085928 /nfs/dbraw/zinc/08/59/28/569085928.db2.gz QYDYXVRXJAPVCW-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4cccc(Cl)c4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000302 569085948 /nfs/dbraw/zinc/08/59/48/569085948.db2.gz RHDZMQVLMUUWJF-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN C[C@@H](C(=O)NC1CCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005581 569087150 /nfs/dbraw/zinc/08/71/50/569087150.db2.gz OVCMAFDMLKVSQD-GOSISDBHSA-N 0 0 445.563 5.042 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065010921 569087801 /nfs/dbraw/zinc/08/78/01/569087801.db2.gz PGKWIMNHZKKHKE-UHFFFAOYSA-N 0 0 448.629 5.185 50 0 IKAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023133 569089163 /nfs/dbraw/zinc/08/91/63/569089163.db2.gz JCIUUOGOAFLYNG-OAQYLSRUSA-N 0 0 432.543 5.480 50 0 IKAARN CCOc1c2cc(NC(=O)Nc3ccc(Br)cc3)ccc2sc1C(=O)OC ZINC000065022932 569089867 /nfs/dbraw/zinc/08/98/67/569089867.db2.gz APMSJZCPEOVDOP-UHFFFAOYSA-N 0 0 449.326 5.493 50 0 IKAARN CCOc1c2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc2sc1C(=O)OC ZINC000065022933 569089887 /nfs/dbraw/zinc/08/98/87/569089887.db2.gz CJKOOUQGLYMTSM-UHFFFAOYSA-N 0 0 438.427 5.749 50 0 IKAARN CCCOc1c2cc(NC(=O)Nc3cccc(SC)c3)ccc2sc1C(=O)OC ZINC000065022994 569089901 /nfs/dbraw/zinc/08/99/01/569089901.db2.gz XTNNUWLCUABYSR-UHFFFAOYSA-N 0 0 430.551 5.843 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC3CCC(C)CC3)no2)cc1 ZINC000065027135 569090128 /nfs/dbraw/zinc/09/01/28/569090128.db2.gz YOEVIROSWKJESM-UHFFFAOYSA-N 0 0 447.535 5.123 50 0 IKAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCCC4)no3)cc2)c1 ZINC000065027148 569090314 /nfs/dbraw/zinc/09/03/14/569090314.db2.gz CBAYOYRHSZBKEB-UHFFFAOYSA-N 0 0 447.535 5.267 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1 ZINC000065025519 569090554 /nfs/dbraw/zinc/09/05/54/569090554.db2.gz PDJXRVOYXKUSBF-UHFFFAOYSA-N 0 0 437.341 5.149 50 0 IKAARN O=C(Nc1cccc(Br)c1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1 ZINC000065025512 569090660 /nfs/dbraw/zinc/09/06/60/569090660.db2.gz VMWSGBWTZPDJHS-UHFFFAOYSA-N 0 0 437.341 5.149 50 0 IKAARN CCCOc1ccc(CNC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1 ZINC000065025585 569090771 /nfs/dbraw/zinc/09/07/71/569090771.db2.gz OIHFHODHSJXELP-UHFFFAOYSA-N 0 0 444.579 5.607 50 0 IKAARN O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)Nc1ccccc1Br ZINC000065029694 569090948 /nfs/dbraw/zinc/09/09/48/569090948.db2.gz ZVOZXBHDQNCVSY-UHFFFAOYSA-N 0 0 429.293 5.381 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)Nc1ccc(F)cc1F)=N2 ZINC000065026374 569090950 /nfs/dbraw/zinc/09/09/50/569090950.db2.gz YYFPECRROCFVIJ-UHFFFAOYSA-N 0 0 449.526 6.508 50 0 IKAARN COc1cccc(NC(=O)CSC2=Nc3cc(C)c(C)cc3N=C(c3ccccc3)C2)c1 ZINC000065026395 569090984 /nfs/dbraw/zinc/09/09/84/569090984.db2.gz UQWUTQZCIXTMSH-UHFFFAOYSA-N 0 0 443.572 6.238 50 0 IKAARN Cc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)Nc3ccccc3)C2)cc1 ZINC000065026422 569090988 /nfs/dbraw/zinc/09/09/88/569090988.db2.gz NECBLEQECNSQDG-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN Cc1ccccc1NC(=O)CSC1=Nc2cc(C)c(C)cc2N=C(c2ccccc2)C1 ZINC000065026387 569091020 /nfs/dbraw/zinc/09/10/20/569091020.db2.gz PNEKMCJQDFPNIP-UHFFFAOYSA-N 0 0 427.573 6.538 50 0 IKAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(=O)NCc1ccccc1)=N2 ZINC000065026408 569091028 /nfs/dbraw/zinc/09/10/28/569091028.db2.gz BDPYCGHUMWDDJW-UHFFFAOYSA-N 0 0 427.573 5.908 50 0 IKAARN COc1ccc(C2=Nc3cc(C)c(C)cc3N=C(SCC(=O)NCCC(C)C)C2)cc1 ZINC000065026490 569091033 /nfs/dbraw/zinc/09/10/33/569091033.db2.gz APOYOZHWNISIGR-UHFFFAOYSA-N 0 0 437.609 5.762 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000006858267 569091111 /nfs/dbraw/zinc/09/11/11/569091111.db2.gz PWLGRIIOGLTSLC-NRFANRHFSA-N 0 0 428.551 5.899 50 0 IKAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000006858239 569091128 /nfs/dbraw/zinc/09/11/28/569091128.db2.gz LQZJXGSWLZYRJP-NRFANRHFSA-N 0 0 428.551 5.899 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000065033030 569091692 /nfs/dbraw/zinc/09/16/92/569091692.db2.gz YYFOVEPLGPVAKE-UHFFFAOYSA-N 0 0 444.025 5.886 50 0 IKAARN CCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000065034282 569091903 /nfs/dbraw/zinc/09/19/03/569091903.db2.gz OGYAWHUVIICFEQ-UHFFFAOYSA-N 0 0 432.520 5.281 50 0 IKAARN COc1cccc2c(Nc3ccc(C(F)(F)F)cc3)cc(C(=O)N3CCCCC3)nc12 ZINC000065034450 569092024 /nfs/dbraw/zinc/09/20/24/569092024.db2.gz FLNUKZYUZCMKHE-UHFFFAOYSA-N 0 0 429.442 5.632 50 0 IKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)ncn2)c1 ZINC000065036679 569092607 /nfs/dbraw/zinc/09/26/07/569092607.db2.gz IBVZGZNXUSSLQD-UHFFFAOYSA-N 0 0 429.520 5.565 50 0 IKAARN CCc1ccc(NC(=O)c2ccc(-c3cc(Oc4cccc(OC)c4)ncn3)cc2)cc1 ZINC000065036681 569092647 /nfs/dbraw/zinc/09/26/47/569092647.db2.gz DKVUWXJWFOADDG-UHFFFAOYSA-N 0 0 425.488 5.759 50 0 IKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)ncn2)cc1 ZINC000065036744 569092797 /nfs/dbraw/zinc/09/27/97/569092797.db2.gz LELGVCITFDCLBT-LJQANCHMSA-N 0 0 439.515 5.744 50 0 IKAARN CCc1c(C)nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(C)cc2Cl)c1=O ZINC000169756951 569093925 /nfs/dbraw/zinc/09/39/25/569093925.db2.gz HQITUDFBNIXLDL-UHFFFAOYSA-N 0 0 430.335 5.035 50 0 IKAARN Cc1ccc(-c2ncn(C3CCCC3)c2-c2ccc(C(=O)NCc3cccnc3)o2)cc1 ZINC000065055005 569094821 /nfs/dbraw/zinc/09/48/21/569094821.db2.gz FJYWGQDLJOBSFW-UHFFFAOYSA-N 0 0 426.520 5.559 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)cn2)cc1 ZINC000065057674 569095233 /nfs/dbraw/zinc/09/52/33/569095233.db2.gz OTKTZHSIAKCZHU-UHFFFAOYSA-N 0 0 439.515 6.320 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)cn2)cc1 ZINC000065057692 569095281 /nfs/dbraw/zinc/09/52/81/569095281.db2.gz UMWIWOZVSYUZIO-UHFFFAOYSA-N 0 0 449.869 5.989 50 0 IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)NCc4ccccc4C)cc3)cn2)c1 ZINC000065057794 569095323 /nfs/dbraw/zinc/09/53/23/569095323.db2.gz WJMKGXVFKNAGKD-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)cn2)c1 ZINC000065057755 569095325 /nfs/dbraw/zinc/09/53/25/569095325.db2.gz WTWHMEDKKBKJCD-UHFFFAOYSA-N 0 0 445.906 6.159 50 0 IKAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)cn2)cc1 ZINC000065057719 569095362 /nfs/dbraw/zinc/09/53/62/569095362.db2.gz RVKIAEMIEDHXTB-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN CSc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc1 ZINC000065057892 569095368 /nfs/dbraw/zinc/09/53/68/569095368.db2.gz JSMHAGFPVZUBKJ-UHFFFAOYSA-N 0 0 427.529 5.588 50 0 IKAARN CCCOc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1 ZINC000065058113 569095401 /nfs/dbraw/zinc/09/54/01/569095401.db2.gz KWZQFWFVXABZOI-UHFFFAOYSA-N 0 0 439.515 5.655 50 0 IKAARN COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1OC ZINC000065058094 569095449 /nfs/dbraw/zinc/09/54/49/569095449.db2.gz VWWHDMLYXVEIFM-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN COc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058052 569095458 /nfs/dbraw/zinc/09/54/58/569095458.db2.gz FFDMHXAYJDDKLY-UHFFFAOYSA-N 0 0 429.451 5.014 50 0 biogenic IKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccccc4OC)c3)cn2)c1 ZINC000065057962 569095477 /nfs/dbraw/zinc/09/54/77/569095477.db2.gz XJDMHECNEDTJEO-UHFFFAOYSA-N 0 0 427.460 5.205 50 0 IKAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1OC ZINC000006878434 569096286 /nfs/dbraw/zinc/09/62/86/569096286.db2.gz WXMRRXGEYUXMNT-UHFFFAOYSA-N 0 0 437.352 5.011 50 0 IKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000065063315 569097824 /nfs/dbraw/zinc/09/78/24/569097824.db2.gz QOKMHVABJFTMHZ-UHFFFAOYSA-N 0 0 433.870 5.658 50 0 IKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000065063304 569097833 /nfs/dbraw/zinc/09/78/33/569097833.db2.gz YOAJQVXPEWGWDP-SFHVURJKSA-N 0 0 427.479 5.874 50 0 IKAARN COc1cccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)c1 ZINC000065063260 569097932 /nfs/dbraw/zinc/09/79/32/569097932.db2.gz LPFDHDHXEKEJGT-UHFFFAOYSA-N 0 0 425.488 5.183 50 0 biogenic IKAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000169769691 569098329 /nfs/dbraw/zinc/09/83/29/569098329.db2.gz KJHNDAVROAMFKO-AAYSFUBESA-N 0 0 438.999 5.385 50 0 IKAARN CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)cnc21 ZINC000036395171 569098744 /nfs/dbraw/zinc/09/87/44/569098744.db2.gz DTYPUOVGPVBWRX-UHFFFAOYSA-N 0 0 441.466 5.726 50 0 IKAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000065074944 569099279 /nfs/dbraw/zinc/09/92/79/569099279.db2.gz OIEMCNKDQQQLPG-NDEPHWFRSA-N 0 0 442.559 5.097 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000065075074 569099376 /nfs/dbraw/zinc/09/93/76/569099376.db2.gz IREHTBDZSFQYHU-SANMLTNESA-N 0 0 432.951 5.235 50 0 IKAARN COc1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000065075271 569099494 /nfs/dbraw/zinc/09/94/94/569099494.db2.gz GZGBRUYWUGEIGW-MUUNZHRXSA-N 0 0 442.559 5.097 50 0 IKAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)cc4Cl)csc3n2)cc1OC ZINC000065079505 569100919 /nfs/dbraw/zinc/10/09/19/569100919.db2.gz LTPCYSDGECCTPZ-UHFFFAOYSA-N 0 0 441.940 5.223 50 0 IKAARN COc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccc(C)c(C)c3)cn12 ZINC000065079701 569101015 /nfs/dbraw/zinc/10/10/15/569101015.db2.gz BQPPACVURFORCF-UHFFFAOYSA-N 0 0 425.941 5.523 50 0 IKAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)sc12 ZINC000065081266 569101302 /nfs/dbraw/zinc/10/13/02/569101302.db2.gz AESYDBJAUAFYMQ-IBGZPJMESA-N 0 0 445.592 5.262 50 0 IKAARN CCc1cccc(NC(=O)[C@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)c1 ZINC000065081339 569101416 /nfs/dbraw/zinc/10/14/16/569101416.db2.gz QKNXBJQVDBVKMX-IBGZPJMESA-N 0 0 445.592 5.208 50 0 IKAARN O=C(NCc1ccccc1F)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772749 569101681 /nfs/dbraw/zinc/10/16/81/569101681.db2.gz XSCLDNUZDNIDIK-RUZDIDTESA-N 0 0 442.534 5.195 50 0 IKAARN O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772744 569101729 /nfs/dbraw/zinc/10/17/29/569101729.db2.gz IZSUMCKKNYQYMY-VWLOTQADSA-N 0 0 442.534 5.195 50 0 IKAARN C[C@@H](NC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1)c1ccccc1 ZINC000065082762 569102415 /nfs/dbraw/zinc/10/24/15/569102415.db2.gz PQYSMRMZEVTLFK-UZLBHIALSA-N 0 0 434.923 5.021 50 0 IKAARN O=C(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085569 569103166 /nfs/dbraw/zinc/10/31/66/569103166.db2.gz AQMWIYPXBMEVDL-UHFFFAOYSA-N 0 0 431.966 5.365 50 0 IKAARN Cc1cccc(-c2noc(-c3ccc(N4CCN(c5cccc(C)c5C)CC4)nc3)n2)c1 ZINC000065097878 569104101 /nfs/dbraw/zinc/10/41/01/569104101.db2.gz PWUMVOCBEDSKAP-UHFFFAOYSA-N 0 0 425.536 5.050 50 0 IKAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(-c5csc(C6CC6)n5)c4)no3)CC2=O)cc1 ZINC000065098248 569104711 /nfs/dbraw/zinc/10/47/11/569104711.db2.gz MQUINUTVXARIRY-LJQANCHMSA-N 0 0 442.544 5.566 50 0 IKAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCC3=CCCCC3)c2C(=O)[O-])cc1 ZINC000006901336 569105682 /nfs/dbraw/zinc/10/56/82/569105682.db2.gz PMHHWYGNGXWUIC-UHFFFAOYSA-N 0 0 428.576 6.319 50 0 IKAARN Cc1ccccc1Oc1nccnc1N1CCC(C(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000065102393 569106003 /nfs/dbraw/zinc/10/60/03/569106003.db2.gz FDVAHCKFYIUEGP-UHFFFAOYSA-N 0 0 430.552 5.556 50 0 IKAARN CCc1cccc(NC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)c1 ZINC000065102505 569106096 /nfs/dbraw/zinc/10/60/96/569106096.db2.gz VULNXLRIUFEODX-UHFFFAOYSA-N 0 0 432.593 5.354 50 0 IKAARN CCc1ccccc1NC(=O)C1CCN(c2nccnc2Sc2ccc(C)cc2)CC1 ZINC000065102439 569106099 /nfs/dbraw/zinc/10/60/99/569106099.db2.gz FCHYEMFZJZHBMB-UHFFFAOYSA-N 0 0 432.593 5.354 50 0 IKAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000065102480 569106134 /nfs/dbraw/zinc/10/61/34/569106134.db2.gz BDKOZHVXRDFABG-UHFFFAOYSA-N 0 0 432.593 5.408 50 0 IKAARN Cc1ccc(Oc2nccnc2SCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000065110989 569106171 /nfs/dbraw/zinc/10/61/71/569106171.db2.gz MYSVPYZARGNFFQ-UHFFFAOYSA-N 0 0 433.455 5.005 50 0 IKAARN CCOc1ccc(OCC)c(NC(=O)CSc2nccnc2Oc2ccc(C)cc2)c1 ZINC000065110983 569106228 /nfs/dbraw/zinc/10/62/28/569106228.db2.gz POVGPJVHWQETPY-UHFFFAOYSA-N 0 0 439.537 5.106 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nccnc1Oc1ccc(C)cc1 ZINC000065110981 569106234 /nfs/dbraw/zinc/10/62/34/569106234.db2.gz MEGJJKXFLMXHCD-UHFFFAOYSA-N 0 0 429.929 5.279 50 0 IKAARN Cc1ccccc1Oc1nccnc1SCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000065111166 569106365 /nfs/dbraw/zinc/10/63/65/569106365.db2.gz ABBVCSJBSJVIOM-UHFFFAOYSA-N 0 0 433.577 5.151 50 0 IKAARN CCN(C(=O)Cn1nc(-c2nc(-c3cccc(C)c3)no2)c2ccccc21)c1ccccc1 ZINC000065111325 569106425 /nfs/dbraw/zinc/10/64/25/569106425.db2.gz QRPPTQDPDVZZNB-UHFFFAOYSA-N 0 0 437.503 5.115 50 0 IKAARN Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4cc(C)cc(C)c4)c4ccccc43)n2)c1 ZINC000065111353 569106436 /nfs/dbraw/zinc/10/64/36/569106436.db2.gz IUXBLYFFAQXFJX-UHFFFAOYSA-N 0 0 437.503 5.317 50 0 IKAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc(C(C)C)cc4)CC3)n2)c1 ZINC000065111455 569106467 /nfs/dbraw/zinc/10/64/67/569106467.db2.gz VDYMOVIEDOMIQP-UHFFFAOYSA-N 0 0 446.551 5.228 50 0 IKAARN Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4ccc(F)cc4C)c4ccccc43)n2)c1 ZINC000065111376 569106471 /nfs/dbraw/zinc/10/64/71/569106471.db2.gz ZJWRKTOFFIYKMB-UHFFFAOYSA-N 0 0 441.466 5.148 50 0 IKAARN COc1cccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccccc2)c1 ZINC000065115507 569106827 /nfs/dbraw/zinc/10/68/27/569106827.db2.gz VRQHSTPKFDSTDK-UHFFFAOYSA-N 0 0 434.517 5.054 50 0 IKAARN COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3cccs3)c(C)o2)cc1 ZINC000065115628 569106893 /nfs/dbraw/zinc/10/68/93/569106893.db2.gz UINSKSONQUXROU-UHFFFAOYSA-N 0 0 440.546 5.116 50 0 IKAARN Cc1cccc(NC(=S)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)c1 ZINC000006912880 569106912 /nfs/dbraw/zinc/10/69/12/569106912.db2.gz ZPKXLQBCQBJDQU-PKXQUSJVSA-N 0 0 434.693 7.115 50 0 IKAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCc3cccc(Cl)c3)c2)n1 ZINC000065116781 569107475 /nfs/dbraw/zinc/10/74/75/569107475.db2.gz SOYAESMUDOCORA-UHFFFAOYSA-N 0 0 427.016 5.301 50 0 IKAARN Cc1ccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1C ZINC000006916088 569108704 /nfs/dbraw/zinc/10/87/04/569108704.db2.gz ZFHFYZKIKHKGNW-UHFFFAOYSA-N 0 0 427.548 5.859 50 0 IKAARN C[C@@H]1CCCCN1c1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1 ZINC000065133570 569110067 /nfs/dbraw/zinc/11/00/67/569110067.db2.gz YLQQLKCYPHTRSY-GFCCVEGCSA-N 0 0 444.910 5.258 50 0 IKAARN COc1ccc(C2=NN(c3ccc(Cl)cc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000006924932 569110208 /nfs/dbraw/zinc/11/02/08/569110208.db2.gz ZDEIXRQAVUZUTB-JOCHJYFZSA-N 0 0 431.750 7.011 50 0 IKAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)cc3Cl)C2)c1 ZINC000065136541 569110241 /nfs/dbraw/zinc/11/02/41/569110241.db2.gz LSJXTFFOKLIGHH-KRWDZBQOSA-N 0 0 431.939 5.128 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)cc3Cl)C2)cc1 ZINC000065136236 569110246 /nfs/dbraw/zinc/11/02/46/569110246.db2.gz LPGZRNBWOYIYCQ-QGZVFWFLSA-N 0 0 431.939 5.128 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)cc3Cl)C2)cc1 ZINC000065136239 569110277 /nfs/dbraw/zinc/11/02/77/569110277.db2.gz LPGZRNBWOYIYCQ-KRWDZBQOSA-N 0 0 431.939 5.128 50 0 IKAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1cccc(C(F)(F)F)c1 ZINC000065136849 569110444 /nfs/dbraw/zinc/11/04/44/569110444.db2.gz WGCGVUFWALADGH-QGZVFWFLSA-N 0 0 433.474 5.046 50 0 IKAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NCc1ccccc1Cl ZINC000065136918 569110448 /nfs/dbraw/zinc/11/04/48/569110448.db2.gz HEHZLWWCDWAHJK-MRXNPFEDSA-N 0 0 434.367 5.334 50 0 IKAARN CSc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC(C)(C)O4)cc1 ZINC000006940654 569111315 /nfs/dbraw/zinc/11/13/15/569111315.db2.gz VFBWIFHGCTVYCT-QGZVFWFLSA-N 0 0 425.550 5.030 50 0 IKAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3ccccc3OCC)CC2)c1C ZINC000006942075 569111948 /nfs/dbraw/zinc/11/19/48/569111948.db2.gz BFLMGDJXSMPUOO-UHFFFAOYSA-N 0 0 426.557 5.125 50 0 IKAARN Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)ccc1Br ZINC000065153630 569111996 /nfs/dbraw/zinc/11/19/96/569111996.db2.gz QQFVCNIRNCMFCA-UHFFFAOYSA-N 0 0 445.320 5.529 50 0 IKAARN O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065153970 569112182 /nfs/dbraw/zinc/11/21/82/569112182.db2.gz DEODKIBMEOSTIN-UHFFFAOYSA-N 0 0 449.283 5.360 50 0 IKAARN CCCn1c(-c2cccc(C(=O)NCc3cccc(Br)c3)c2)nc2cccnc21 ZINC000065172862 569113264 /nfs/dbraw/zinc/11/32/64/569113264.db2.gz ZJCYLZHFQSSAFN-UHFFFAOYSA-N 0 0 449.352 5.201 50 0 IKAARN CCCn1c(-c2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nc2cccnc21 ZINC000065172820 569113304 /nfs/dbraw/zinc/11/33/04/569113304.db2.gz IDQVIJFRFPIVRA-UHFFFAOYSA-N 0 0 438.453 5.457 50 0 IKAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)Nc4cc(F)ccc4F)c3)n2)cc1 ZINC000065185616 569113512 /nfs/dbraw/zinc/11/35/12/569113512.db2.gz UBTCLHVLBZSSRW-UHFFFAOYSA-N 0 0 438.459 5.116 50 0 IKAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)Nc4ccc(C)cc4F)c3)n2)cc1 ZINC000065185618 569113705 /nfs/dbraw/zinc/11/37/05/569113705.db2.gz WRWHBFKAXWABSN-UHFFFAOYSA-N 0 0 434.496 5.285 50 0 IKAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)Nc4ccc(F)cc4C)c3)n2)cc1 ZINC000065185619 569113744 /nfs/dbraw/zinc/11/37/44/569113744.db2.gz OYACJHPYOHWDRV-UHFFFAOYSA-N 0 0 434.496 5.285 50 0 IKAARN Cc1nc(Nc2cccc(C)c2)sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000065184643 569114095 /nfs/dbraw/zinc/11/40/95/569114095.db2.gz SARLMADGVMGUQN-UHFFFAOYSA-N 0 0 425.863 6.428 50 0 IKAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1Cl ZINC000065194832 569114854 /nfs/dbraw/zinc/11/48/54/569114854.db2.gz QVTKDBDDICVALD-UHFFFAOYSA-N 0 0 430.892 5.315 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)cc1 ZINC000013116084 569116649 /nfs/dbraw/zinc/11/66/49/569116649.db2.gz JLZXNKUVDKJRCM-HSZRJFAPSA-N 0 0 428.561 5.186 50 0 IKAARN O=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1c1ccc(Cl)cc1 ZINC000006997486 569116691 /nfs/dbraw/zinc/11/66/91/569116691.db2.gz DVQYDROOYDRZDK-GIDUJCDVSA-N 0 0 438.686 5.072 50 0 IKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)c3ccc(Br)o3)n2)cc1 ZINC000065218900 569117349 /nfs/dbraw/zinc/11/73/49/569117349.db2.gz UUOOOZMILCCWND-UHFFFAOYSA-N 0 0 430.283 5.381 50 0 IKAARN O=C(CSc1ccncc1)Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000065219185 569117398 /nfs/dbraw/zinc/11/73/98/569117398.db2.gz NJGISNHHTIQHJF-UHFFFAOYSA-N 0 0 428.926 5.244 50 0 IKAARN COc1ccccc1OCC(=O)Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000065219152 569117407 /nfs/dbraw/zinc/11/74/07/569117407.db2.gz JHAHBSDVFALMBC-UHFFFAOYSA-N 0 0 441.896 5.145 50 0 IKAARN Cc1oc(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc1Cn1cccn1 ZINC000065232405 569119022 /nfs/dbraw/zinc/11/90/22/569119022.db2.gz KBLXGSSHQJGBQK-UHFFFAOYSA-N 0 0 426.398 5.166 50 0 IKAARN CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000253498414 569120766 /nfs/dbraw/zinc/12/07/66/569120766.db2.gz CCORPVHYPHHRKB-FENLLQQESA-N 0 0 442.728 8.350 50 0 biogenic IKAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000065240926 569120879 /nfs/dbraw/zinc/12/08/79/569120879.db2.gz JEQKITIOYSFADY-UHFFFAOYSA-N 0 0 434.521 5.073 50 0 IKAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cnn(CC)c2C)cc1 ZINC000036615316 569122391 /nfs/dbraw/zinc/12/23/91/569122391.db2.gz CNXZSOBCIWHOMY-HXUWFJFHSA-N 0 0 439.625 5.159 50 0 IKAARN CC[C@H](CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)n1cc(Cl)cn1 ZINC000036617882 569122678 /nfs/dbraw/zinc/12/26/78/569122678.db2.gz AYJBCJVNGZQJOB-MRXNPFEDSA-N 0 0 427.961 5.017 50 0 IKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(C(C)C)cc1)cc2C(F)(F)F ZINC000036616713 569122832 /nfs/dbraw/zinc/12/28/32/569122832.db2.gz SJDHPWGBKDZLBR-UHFFFAOYSA-N 0 0 431.458 5.681 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3nc4c(cccc4C)s3)c3c(C)nn(C)c3n2)c1 ZINC000036616769 569122835 /nfs/dbraw/zinc/12/28/35/569122835.db2.gz CDBVJDMZSMFSGQ-UHFFFAOYSA-N 0 0 443.532 5.123 50 0 IKAARN O=C(c1cncc(Br)c1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254909 569122885 /nfs/dbraw/zinc/12/28/85/569122885.db2.gz VWLDQTUGZMHJMQ-UHFFFAOYSA-N 0 0 426.339 5.048 50 0 IKAARN O=C(Nc1ccc(Br)cn1)c1sc2cccc(OC(F)F)c2c1Cl ZINC000036611078 569123460 /nfs/dbraw/zinc/12/34/60/569123460.db2.gz XOSICLOWOFUFKU-UHFFFAOYSA-N 0 0 433.661 5.566 50 0 IKAARN O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(COc2c(Cl)cccc2Cl)cc1 ZINC000036612122 569123609 /nfs/dbraw/zinc/12/36/09/569123609.db2.gz LRXMEVDWKPMXFR-UHFFFAOYSA-N 0 0 438.314 6.010 50 0 IKAARN C=Cc1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 ZINC000036611581 569123631 /nfs/dbraw/zinc/12/36/31/569123631.db2.gz UFZGEAKGPYDKMX-UHFFFAOYSA-N 0 0 439.773 7.869 50 0 IKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000036613463 569123846 /nfs/dbraw/zinc/12/38/46/569123846.db2.gz OWNNMRPORFRJFE-UHFFFAOYSA-N 0 0 436.519 5.173 50 0 IKAARN CC[C@@H](CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)n1cc(Cl)cn1 ZINC000036617881 569123933 /nfs/dbraw/zinc/12/39/33/569123933.db2.gz AYJBCJVNGZQJOB-INIZCTEOSA-N 0 0 427.961 5.017 50 0 IKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1cc(C)nn1C1CCCC1 ZINC000036613623 569123938 /nfs/dbraw/zinc/12/39/38/569123938.db2.gz GUJNQIPIMKOUSY-UHFFFAOYSA-N 0 0 442.567 5.607 50 0 IKAARN CCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c32)n1 ZINC000036618368 569124183 /nfs/dbraw/zinc/12/41/83/569124183.db2.gz FABVEPQYIVMQLL-UHFFFAOYSA-N 0 0 427.439 5.165 50 0 IKAARN COc1ccc(-c2noc(C3(NC(=O)c4ccc(F)c(Cl)c4)CCCCC3)n2)cc1 ZINC000065257876 569124270 /nfs/dbraw/zinc/12/42/70/569124270.db2.gz ZINCTMXEEUGENH-UHFFFAOYSA-N 0 0 429.879 5.127 50 0 IKAARN FC(F)(F)Oc1ccc(CNc2nnc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000065258285 569124361 /nfs/dbraw/zinc/12/43/61/569124361.db2.gz WRFSVFUMZBNTQQ-UHFFFAOYSA-N 0 0 427.386 5.068 50 0 IKAARN CC(C)N1c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2Sc2ncccc2C1=O ZINC000065258534 569124428 /nfs/dbraw/zinc/12/44/28/569124428.db2.gz IOSGLBIFIXECIG-MRXNPFEDSA-N 0 0 433.533 5.007 50 0 IKAARN O=C([C@@H](Sc1nc(-c2cccs2)nc2ccccc21)c1ccccc1)N1CCOCC1 ZINC000013127270 569125149 /nfs/dbraw/zinc/12/51/49/569125149.db2.gz FGKJHNNMOWVSMY-NRFANRHFSA-N 0 0 447.585 5.051 50 0 IKAARN C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1nc2ccccc2c(=O)[nH]1 ZINC000013128709 569125253 /nfs/dbraw/zinc/12/52/53/569125253.db2.gz DIWOUGLOSQAURD-MRXNPFEDSA-N 0 0 431.565 5.405 50 0 IKAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2)c1ccccc1 ZINC000013129131 569125272 /nfs/dbraw/zinc/12/52/72/569125272.db2.gz RHQJTLDEHCWAGX-GOSISDBHSA-N 0 0 430.548 5.206 50 0 IKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1ccc(C)c(C)c1 ZINC000013129827 569125381 /nfs/dbraw/zinc/12/53/81/569125381.db2.gz KBQQDVHHWMFMMJ-UHFFFAOYSA-N 0 0 426.513 5.398 50 0 IKAARN O=C(Oc1ccc(Br)cc1Cl)c1cc(-c2cccs2)nc2ccccc21 ZINC000013134063 569125485 /nfs/dbraw/zinc/12/54/85/569125485.db2.gz NUAAYYQRJIJQFN-UHFFFAOYSA-N 0 0 444.737 6.598 50 0 IKAARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c[nH]c4ccccc43)c2C1 ZINC000013134656 569125633 /nfs/dbraw/zinc/12/56/33/569125633.db2.gz XABMHDGTEBQAOG-KRWDZBQOSA-N 0 0 440.543 5.907 50 0 IKAARN CCc1cc(C(=O)Nc2ccc(C)c(F)c2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000036621654 569126514 /nfs/dbraw/zinc/12/65/14/569126514.db2.gz ZQYBTFFUDOWYDK-UHFFFAOYSA-N 0 0 428.511 5.619 50 0 IKAARN COc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000007059329 569128272 /nfs/dbraw/zinc/12/82/72/569128272.db2.gz WFYNWERVHZHKIM-QFIPXVFZSA-N 0 0 427.331 6.366 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)N[C@H](C)c3ccc(C)c(C)c3)sc12 ZINC000065294014 569131160 /nfs/dbraw/zinc/13/11/60/569131160.db2.gz CNVPWXYFHVGJIA-GOSISDBHSA-N 0 0 447.608 5.029 50 0 IKAARN CCCCOc1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2ccccc2Cl)cc1 ZINC000065296412 569131598 /nfs/dbraw/zinc/13/15/98/569131598.db2.gz AVQSHNFPFOOFGT-UHFFFAOYSA-N 0 0 434.927 5.159 50 0 IKAARN Cc1scc2nc(C(C)C)nc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)c12 ZINC000065301475 569132388 /nfs/dbraw/zinc/13/23/88/569132388.db2.gz GSZABVSJNILQIS-UHFFFAOYSA-N 0 0 443.016 5.309 50 0 IKAARN C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000007109655 569133909 /nfs/dbraw/zinc/13/39/09/569133909.db2.gz IYUQEYHXEQDTLP-FVFHPELPSA-N 0 0 426.564 5.269 50 0 IKAARN CSc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)c1 ZINC000065315345 569133971 /nfs/dbraw/zinc/13/39/71/569133971.db2.gz JDTOFTGVSSEAQT-SFHVURJKSA-N 0 0 434.565 5.154 50 0 IKAARN COCCCNc1c(-c2ccc(OC(C)C)cc2)nc2sc3cc(OC)ccc3n21 ZINC000065319344 569134773 /nfs/dbraw/zinc/13/47/73/569134773.db2.gz VGWAKKZWLVBVCO-UHFFFAOYSA-N 0 0 425.554 5.460 50 0 IKAARN CCN(CC)c1ccc(-c2nc3sc4cc(Cl)ccc4n3c2NCCOC)cc1 ZINC000065319406 569134916 /nfs/dbraw/zinc/13/49/16/569134916.db2.gz GVVDKGDDFYBYOS-UHFFFAOYSA-N 0 0 428.989 5.774 50 0 IKAARN CCCOc1ccc(-c2nc3sc4cc(Cl)ccc4n3c2NCCOC)cc1OC ZINC000065319409 569134922 /nfs/dbraw/zinc/13/49/22/569134922.db2.gz LKKBLPSJLKFZIW-UHFFFAOYSA-N 0 0 445.972 5.725 50 0 IKAARN COc1cccc(NC(=O)Nc2ccccc2NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000036709653 569135844 /nfs/dbraw/zinc/13/58/44/569135844.db2.gz UCTXHVQGNCAITC-UHFFFAOYSA-N 0 0 429.398 5.610 50 0 IKAARN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)cc(N4CCOCC4)c3c2)cc1 ZINC000065320921 569136392 /nfs/dbraw/zinc/13/63/92/569136392.db2.gz SNRGBRLVKAIKHD-UHFFFAOYSA-N 0 0 438.531 5.691 50 0 IKAARN CCCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000065322456 569136709 /nfs/dbraw/zinc/13/67/09/569136709.db2.gz LMWUYOMQJHYNRA-UHFFFAOYSA-N 0 0 448.611 5.218 50 0 IKAARN COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000065322576 569136767 /nfs/dbraw/zinc/13/67/67/569136767.db2.gz CCKVGKPRIWPINI-UHFFFAOYSA-N 0 0 441.535 5.211 50 0 IKAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)cc1 ZINC000065330985 569137069 /nfs/dbraw/zinc/13/70/69/569137069.db2.gz YKIJTMAJRNXBMD-UHFFFAOYSA-N 0 0 448.548 5.085 50 0 IKAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)ccc1OCC(C)C ZINC000065331232 569137177 /nfs/dbraw/zinc/13/71/77/569137177.db2.gz DTHYYSKMSAAGLR-SFHVURJKSA-N 0 0 425.916 5.043 50 0 IKAARN COc1ccc(Nc2c(-c3ccc(C)cc3)nc3cnc(Br)cn32)cc1OC ZINC000065331634 569137308 /nfs/dbraw/zinc/13/73/08/569137308.db2.gz DLAPICBVBKDOIF-UHFFFAOYSA-N 0 0 439.313 5.228 50 0 IKAARN Oc1ccccc1-c1nc2cnc(Br)cn2c1Nc1cccc(C(F)(F)F)c1 ZINC000065331638 569137346 /nfs/dbraw/zinc/13/73/46/569137346.db2.gz XBUDFOIWWCMYSS-UHFFFAOYSA-N 0 0 449.230 5.627 50 0 IKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)OCc1csc(-c2ccccn2)n1 ZINC000065342129 569137426 /nfs/dbraw/zinc/13/74/26/569137426.db2.gz CTSBYCLCPBRWJY-UHFFFAOYSA-N 0 0 427.938 5.647 50 0 IKAARN O=C(COc1ccc(Br)cc1Br)N1CCC[C@H]1c1cccs1 ZINC000036775944 569137711 /nfs/dbraw/zinc/13/77/11/569137711.db2.gz JVKQPPKYNZHXBA-ZDUSSCGKSA-N 0 0 445.176 5.016 50 0 IKAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1(c2ccc(Cl)cc2)CC1 ZINC000036784683 569137836 /nfs/dbraw/zinc/13/78/36/569137836.db2.gz OTDQYXWWFQOJNE-UHFFFAOYSA-N 0 0 430.733 5.018 50 0 IKAARN CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000253612119 569138526 /nfs/dbraw/zinc/13/85/26/569138526.db2.gz NIJKPJNXBCARQP-RXOZWRLSSA-N 0 0 427.717 7.533 50 0 IKAARN CCCC1CCC(c2ccc(-c3nnc(-c4ccc(Br)cc4)s3)cc2)CC1 ZINC000003012077 569139034 /nfs/dbraw/zinc/13/90/34/569139034.db2.gz FJHKNOMASGVUGY-UHFFFAOYSA-N 0 0 441.438 7.709 50 0 IKAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000065563755 569139293 /nfs/dbraw/zinc/13/92/93/569139293.db2.gz HSNDLEBBNGBNTG-BGYRXZFFSA-N 0 0 448.588 5.273 50 0 IKAARN CN(C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000065565104 569139415 /nfs/dbraw/zinc/13/94/15/569139415.db2.gz FVENYPAMSFMMQC-JOCHJYFZSA-N 0 0 439.874 5.063 50 0 IKAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)n1 ZINC000065586238 569139788 /nfs/dbraw/zinc/13/97/88/569139788.db2.gz JHEVWFXAMCXMQX-UHFFFAOYSA-N 0 0 448.523 5.610 50 0 IKAARN Cc1ccc(C)c(CN(Cc2cc(C)ccc2C)c2ccc3nc4n(c(=O)c3c2)CCC4)c1 ZINC000065568295 569139844 /nfs/dbraw/zinc/13/98/44/569139844.db2.gz GLSGLWOJVCQRIV-UHFFFAOYSA-N 0 0 437.587 5.783 50 0 IKAARN c1ccc(Cn2c(CN3CCCC3)nnc2SCCCc2cncc3ccccc32)cc1 ZINC000170597162 569142086 /nfs/dbraw/zinc/14/20/86/569142086.db2.gz JQHIIVQVJSTTJF-UHFFFAOYSA-N 0 0 443.620 5.195 50 0 IKAARN C[C@H](c1nnc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000170599940 569142591 /nfs/dbraw/zinc/14/25/91/569142591.db2.gz MVLKWFWRFVOSGB-ACJLOTCBSA-N 0 0 448.361 5.241 50 0 IKAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cnc2ccccc2c1O ZINC000170602387 569143265 /nfs/dbraw/zinc/14/32/65/569143265.db2.gz BFWTYPWBQBBQTI-UHFFFAOYSA-N 0 0 430.316 5.135 50 0 IKAARN CC(C)CN(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(=O)c1cccc(F)c1 ZINC000037263782 569144007 /nfs/dbraw/zinc/14/40/07/569144007.db2.gz DNZNYBBKYJGRHF-UHFFFAOYSA-N 0 0 435.421 5.235 50 0 IKAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000037263797 569144114 /nfs/dbraw/zinc/14/41/14/569144114.db2.gz FVRNVHBXSXFSAW-HXUWFJFHSA-N 0 0 437.421 5.469 50 0 IKAARN Fc1cc([C@@H]2OCC[C@@H]2c2nc(-c3cccnc3Oc3ccccc3)no2)ccc1Cl ZINC000170606747 569144601 /nfs/dbraw/zinc/14/46/01/569144601.db2.gz PWYJLDKYYFUXPP-JXFKEZNVSA-N 0 0 437.858 5.962 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1noc(-c2ccccc2)n1 ZINC000170610406 569144901 /nfs/dbraw/zinc/14/49/01/569144901.db2.gz MFTZBRJVGUOBHA-ZBFHGGJFSA-N 0 0 439.566 5.089 50 0 IKAARN CCOC(=O)c1csc([C@@H]2CCCN2c2nc3cc(C(F)(F)F)ccc3s2)n1 ZINC000170611271 569145099 /nfs/dbraw/zinc/14/50/99/569145099.db2.gz QAOVAUNYWOJOMI-ZDUSSCGKSA-N 0 0 427.473 5.290 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2c(F)c(F)c(C(=O)Nc3cc(C)ccc3C)c(F)c2F)c1 ZINC000170610181 569145172 /nfs/dbraw/zinc/14/51/72/569145172.db2.gz VPNWCERQYVPLFK-UHFFFAOYSA-N 0 0 444.428 5.981 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)N(CC)CC ZINC000037278504 569145394 /nfs/dbraw/zinc/14/53/94/569145394.db2.gz VUZGKDZFDUTOMI-UHFFFAOYSA-N 0 0 435.568 5.345 50 0 IKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N(CC)CC ZINC000037278310 569145427 /nfs/dbraw/zinc/14/54/27/569145427.db2.gz HDMARFBRVKGKOU-UHFFFAOYSA-N 0 0 427.495 5.306 50 0 IKAARN O=C(NCCc1ccccc1)[C@H]1CC[C@H](c2ccc(F)cc2)N(C(=O)Nc2ccccc2)C1 ZINC000037278039 569145458 /nfs/dbraw/zinc/14/54/58/569145458.db2.gz UCSGVOGXABHDAF-WIOPSUGQSA-N 0 0 445.538 5.170 50 0 IKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)N(CC)CC ZINC000037278536 569145474 /nfs/dbraw/zinc/14/54/74/569145474.db2.gz ZNPNHUDBAOIMCM-UHFFFAOYSA-N 0 0 439.531 5.176 50 0 IKAARN Cc1ccc(-c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c3cnccc23)cc1 ZINC000037282393 569145889 /nfs/dbraw/zinc/14/58/89/569145889.db2.gz WGICWOGOOREZRN-UHFFFAOYSA-N 0 0 435.449 6.551 50 0 IKAARN O=C(C1CCCC1)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037285208 569145920 /nfs/dbraw/zinc/14/59/20/569145920.db2.gz MIUAEKAGWRIFBB-NRFANRHFSA-N 0 0 448.460 5.557 50 0 IKAARN O=C(C1CCCC1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037285209 569145922 /nfs/dbraw/zinc/14/59/22/569145922.db2.gz MIUAEKAGWRIFBB-OAQYLSRUSA-N 0 0 448.460 5.557 50 0 IKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)NCCc1ccccn1 ZINC000037285050 569145930 /nfs/dbraw/zinc/14/59/30/569145930.db2.gz XAMIGKJSBRZZET-IBGZPJMESA-N 0 0 438.358 5.751 50 0 IKAARN COc1cccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)c3ccccc3)c(Cl)nc21 ZINC000170612466 569145931 /nfs/dbraw/zinc/14/59/31/569145931.db2.gz LPXWYUFPLGZQLP-JOCHJYFZSA-N 0 0 441.918 5.888 50 0 IKAARN CCc1c(C)c(C(=O)NCCc2ccccn2)n(Cc2cccc(C(F)(F)F)c2)c1C ZINC000037285165 569145942 /nfs/dbraw/zinc/14/59/42/569145942.db2.gz KXDDXCNISGWUEO-UHFFFAOYSA-N 0 0 429.486 5.102 50 0 IKAARN COc1cccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)c(Cl)nc21 ZINC000170612586 569146015 /nfs/dbraw/zinc/14/60/15/569146015.db2.gz UKOOMRNPWHNIMW-FQEVSTJZSA-N 0 0 445.906 5.790 50 0 IKAARN O=C(Nc1ccc(N2CCOC2=O)cc1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000170614263 569146220 /nfs/dbraw/zinc/14/62/20/569146220.db2.gz LLACBFKKCYLLPE-UHFFFAOYSA-N 0 0 433.411 5.038 50 0 IKAARN COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@H](c3cccc(OC)c3)C2)cc1 ZINC000170615382 569146458 /nfs/dbraw/zinc/14/64/58/569146458.db2.gz BSWJKIYKYYQDIO-RAXRNYJGSA-N 0 0 444.575 5.598 50 0 IKAARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1Br ZINC000170615044 569146522 /nfs/dbraw/zinc/14/65/22/569146522.db2.gz LHSUWFIPOFODET-UHFFFAOYSA-N 0 0 426.719 5.035 50 0 IKAARN COc1cc(OC)cc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3Cl)C2)c1 ZINC000170615698 569146583 /nfs/dbraw/zinc/14/65/83/569146583.db2.gz YHIVRNFTKGSZQQ-FQEVSTJZSA-N 0 0 426.925 5.410 50 0 IKAARN COc1cc(OC)cc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc(C)cc3)C2)c1 ZINC000170615692 569146620 /nfs/dbraw/zinc/14/66/20/569146620.db2.gz JAQFPDWWOYDSEW-DEOSSOPVSA-N 0 0 434.923 5.657 50 0 IKAARN CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1C ZINC000170621975 569147729 /nfs/dbraw/zinc/14/77/29/569147729.db2.gz QQPQCJZJRLSHRJ-SSEXGKCCSA-N 0 0 441.574 5.116 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000007543395 569147750 /nfs/dbraw/zinc/14/77/50/569147750.db2.gz DSZVPFKPPARSLG-NRFANRHFSA-N 0 0 425.532 5.198 50 0 IKAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O ZINC000007543460 569147777 /nfs/dbraw/zinc/14/77/77/569147777.db2.gz HSLLSRORIASHGO-OAQYLSRUSA-N 0 0 431.580 5.926 50 0 IKAARN Clc1ccc2c(c1)N=C(c1ccccc1)c1ccc(Cl)cc1N=C2c1ccccc1 ZINC000170620237 569147857 /nfs/dbraw/zinc/14/78/57/569147857.db2.gz NERGCWILGKVRAW-UHFFFAOYSA-N 0 0 427.334 7.645 50 0 IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000170623149 569148304 /nfs/dbraw/zinc/14/83/04/569148304.db2.gz HDQMUBKYFVXRQZ-UHFFFAOYSA-N 0 0 446.866 5.276 50 0 IKAARN COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000170623723 569148328 /nfs/dbraw/zinc/14/83/28/569148328.db2.gz BLCYLVYGMKZIHV-UHFFFAOYSA-N 0 0 433.529 5.346 50 0 IKAARN FC(F)(F)c1nc2ccc(Br)cc2c(Oc2cncc(Br)c2)n1 ZINC000170627328 569148625 /nfs/dbraw/zinc/14/86/25/569148625.db2.gz FVYJQSSJYCKPQZ-UHFFFAOYSA-N 0 0 449.024 5.361 50 0 IKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cc(C[S@](C)=O)ccc1Cl ZINC000170629815 569148892 /nfs/dbraw/zinc/14/88/92/569148892.db2.gz IAXYZBAJXYLGEW-NDEPHWFRSA-N 0 0 446.903 5.408 50 0 IKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@H](C(=O)OC)c3ccc(OC)cc3)C2)cc1 ZINC000037341232 569148981 /nfs/dbraw/zinc/14/89/81/569148981.db2.gz KUMPOIKPOYPREE-VDKIKQQVSA-N 0 0 435.564 5.059 50 0 IKAARN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c1 ZINC000009869782 569149323 /nfs/dbraw/zinc/14/93/23/569149323.db2.gz ZPQZHLYVVQKMKR-GOSISDBHSA-N 0 0 445.544 5.743 50 0 IKAARN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c1 ZINC000009869769 569149350 /nfs/dbraw/zinc/14/93/50/569149350.db2.gz ZPQZHLYVVQKMKR-SFHVURJKSA-N 0 0 445.544 5.743 50 0 IKAARN C[C@H](NC(=O)CSc1nnc([C@H](C)Oc2ccccc2F)o1)c1cc2ccccc2o1 ZINC000009870501 569149383 /nfs/dbraw/zinc/14/93/83/569149383.db2.gz DTHSDOZFCCBIAI-KBPBESRZSA-N 0 0 441.484 5.064 50 0 IKAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)o1 ZINC000009870479 569149454 /nfs/dbraw/zinc/14/94/54/569149454.db2.gz DTHSDOZFCCBIAI-UONOGXRCSA-N 0 0 441.484 5.064 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000009882606 569149716 /nfs/dbraw/zinc/14/97/16/569149716.db2.gz QGCGEAYWJLZLFT-GFCCVEGCSA-N 0 0 449.001 5.431 50 0 IKAARN O=C(CCCCc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009882644 569149815 /nfs/dbraw/zinc/14/98/15/569149815.db2.gz LXIODKFXBOSGND-UHFFFAOYSA-N 0 0 445.592 5.633 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000009883078 569149905 /nfs/dbraw/zinc/14/99/05/569149905.db2.gz KQYNQYSKNGDKMF-NRFANRHFSA-N 0 0 445.500 5.127 50 0 IKAARN O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000009909323 569150337 /nfs/dbraw/zinc/15/03/37/569150337.db2.gz LEZARSILTXKKDR-UHFFFAOYSA-N 0 0 426.582 6.339 50 0 IKAARN Cc1occc1-c1nnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1C ZINC000009908776 569150500 /nfs/dbraw/zinc/15/05/00/569150500.db2.gz KSLROEYHNDFZCI-NRFANRHFSA-N 0 0 432.549 5.472 50 0 IKAARN Cc1sc2nc(S[C@H](C)C(=O)N[C@H](C)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000009910633 569150569 /nfs/dbraw/zinc/15/05/69/569150569.db2.gz PEBHBEBEHINJLA-GDBMZVCRSA-N 0 0 429.611 5.014 50 0 IKAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1O ZINC000071283631 569150825 /nfs/dbraw/zinc/15/08/25/569150825.db2.gz JLCLWEBNEIPZQD-FQEVSTJZSA-N 0 0 431.558 5.483 50 0 IKAARN Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)s3)c3cc(Cl)ccc32)cc1 ZINC000010059188 569152038 /nfs/dbraw/zinc/15/20/38/569152038.db2.gz XLPZTKVVJKOVRL-QFIPXVFZSA-N 0 0 446.355 5.371 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 ZINC000010059191 569152052 /nfs/dbraw/zinc/15/20/52/569152052.db2.gz HYEPGYHGSIXKRQ-QFIPXVFZSA-N 0 0 446.355 5.371 50 0 IKAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000010059097 569152056 /nfs/dbraw/zinc/15/20/56/569152056.db2.gz JOBPUNVYISLZDU-MHZLTWQESA-N 0 0 447.962 5.779 50 0 IKAARN CCc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000010059095 569152119 /nfs/dbraw/zinc/15/21/19/569152119.db2.gz KDNQDRMAYQSDGR-AREMUKBSSA-N 0 0 433.935 5.218 50 0 IKAARN CC(=O)N[C@@H](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000010080380 569152600 /nfs/dbraw/zinc/15/26/00/569152600.db2.gz FZXOIGYRBRGNLW-SIKLNZKXSA-N 0 0 430.932 5.014 50 0 IKAARN O=C(Cc1cccs1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1 ZINC000010060650 569152621 /nfs/dbraw/zinc/15/26/21/569152621.db2.gz NMPIFHHXNSYISB-UHFFFAOYSA-N 0 0 444.379 5.291 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)cc1OC ZINC000010218095 569153400 /nfs/dbraw/zinc/15/34/00/569153400.db2.gz ATMTXGJISOLBNS-UHFFFAOYSA-N 0 0 432.542 5.477 50 0 IKAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000010218318 569153508 /nfs/dbraw/zinc/15/35/08/569153508.db2.gz ORUIPBDSJFTEQW-UHFFFAOYSA-N 0 0 436.558 5.156 50 0 IKAARN C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 ZINC000010219608 569153708 /nfs/dbraw/zinc/15/37/08/569153708.db2.gz UXTWOSOINHZVJQ-INIZCTEOSA-N 0 0 447.336 5.188 50 0 IKAARN CCCc1nc2ccccc2c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1CC ZINC000010219560 569153730 /nfs/dbraw/zinc/15/37/30/569153730.db2.gz RBUFNUSFGJVHFE-UHFFFAOYSA-N 0 0 430.957 5.059 50 0 IKAARN CCOc1ccc2nc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)sc2c1 ZINC000010254379 569154171 /nfs/dbraw/zinc/15/41/71/569154171.db2.gz RHNSNQNTPKXVIW-UHFFFAOYSA-N 0 0 449.601 5.588 50 0 IKAARN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNc1ccc(Oc2ccccc2)cc1 ZINC000013302553 569154924 /nfs/dbraw/zinc/15/49/24/569154924.db2.gz CHKPWYKJLVVMNN-KGENOOAVSA-N 0 0 436.920 6.238 50 0 IKAARN FC(F)Oc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000013306516 569154959 /nfs/dbraw/zinc/15/49/59/569154959.db2.gz SNLYZTBTWYZRKT-UHFFFAOYSA-N 0 0 436.508 7.096 50 0 IKAARN Cc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C[C@H]2CCCO2)cs1 ZINC000013330634 569155121 /nfs/dbraw/zinc/15/51/21/569155121.db2.gz LVRCICKJUBAQHF-QGZVFWFLSA-N 0 0 439.528 5.805 50 0 IKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000013330816 569155153 /nfs/dbraw/zinc/15/51/53/569155153.db2.gz KRXQLVGWTKKMAA-UHFFFAOYSA-N 0 0 435.778 5.465 50 0 IKAARN CC(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000013325567 569155168 /nfs/dbraw/zinc/15/51/68/569155168.db2.gz KUAYHMNNQZDUCA-UHFFFAOYSA-N 0 0 434.487 5.355 50 0 IKAARN Fc1cccc(Cl)c1Cn1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000013330342 569155177 /nfs/dbraw/zinc/15/51/77/569155177.db2.gz WKDIZHIOFCVVEZ-UHFFFAOYSA-N 0 0 429.735 5.840 50 0 IKAARN FC(F)(F)c1ccccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000013329387 569155181 /nfs/dbraw/zinc/15/51/81/569155181.db2.gz UUZHGZDHMNGRRU-UHFFFAOYSA-N 0 0 445.297 6.066 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl ZINC000013329427 569155191 /nfs/dbraw/zinc/15/51/91/569155191.db2.gz BRNHKVCYUKBLJU-UHFFFAOYSA-N 0 0 443.762 6.148 50 0 IKAARN COc1cc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1Cl ZINC000013331631 569155285 /nfs/dbraw/zinc/15/52/85/569155285.db2.gz GVTVLJBFEDNAQE-UHFFFAOYSA-N 0 0 449.338 5.516 50 0 IKAARN O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013970340 569157409 /nfs/dbraw/zinc/15/74/09/569157409.db2.gz FGHWIIJUSBEOCC-UHFFFAOYSA-N 0 0 443.808 6.577 50 0 IKAARN C[C@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013579168 569156153 /nfs/dbraw/zinc/15/61/53/569156153.db2.gz IIOAHCKQGJYWKY-ROUUACIJSA-N 0 0 447.629 5.954 50 0 IKAARN C[C@@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013579165 569156176 /nfs/dbraw/zinc/15/61/76/569156176.db2.gz IIOAHCKQGJYWKY-QZTJIDSGSA-N 0 0 447.629 5.954 50 0 IKAARN CCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000013618663 569156421 /nfs/dbraw/zinc/15/64/21/569156421.db2.gz VYCBEKSJSQZUQL-QPLCGJKRSA-N 0 0 431.561 6.403 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000250250604 569156528 /nfs/dbraw/zinc/15/65/28/569156528.db2.gz XEUFMLYRJPTBAP-YSGRDPCXSA-N 0 0 434.433 5.257 50 0 IKAARN Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(C(C)(C)C)cc1 ZINC000013746480 569156916 /nfs/dbraw/zinc/15/69/16/569156916.db2.gz ZREKBPPWXQTYMC-UHFFFAOYSA-N 0 0 444.398 6.823 50 0 IKAARN CSc1ccc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)sc2c1 ZINC000013973159 569157452 /nfs/dbraw/zinc/15/74/52/569157452.db2.gz BQGMTHIKHXLJDU-UHFFFAOYSA-N 0 0 433.602 5.063 50 0 IKAARN Cc1ccnc2c1cccc2N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000250883810 569157602 /nfs/dbraw/zinc/15/76/02/569157602.db2.gz XRLQGYUSLYWAFI-LTMODKEVSA-N 0 0 444.534 5.786 50 0 IKAARN CCOc1ccccc1C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000014055405 569157620 /nfs/dbraw/zinc/15/76/20/569157620.db2.gz KTQXKTKYSOCXSC-UHFFFAOYSA-N 0 0 441.516 5.171 50 0 IKAARN COc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(OC)cc1Cl ZINC000014110090 569157801 /nfs/dbraw/zinc/15/78/01/569157801.db2.gz VQCDHUXIEGNXRR-UHFFFAOYSA-N 0 0 433.895 5.462 50 0 IKAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)o2)cc1 ZINC000014281991 569158527 /nfs/dbraw/zinc/15/85/27/569158527.db2.gz SGVYYUDMIUDLKQ-FQEVSTJZSA-N 0 0 442.563 5.536 50 0 IKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000014359802 569158786 /nfs/dbraw/zinc/15/87/86/569158786.db2.gz YIZGATDXTZWJIM-GOSISDBHSA-N 0 0 425.557 5.814 50 0 IKAARN C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc2c(c1)OCO2 ZINC000014484904 569159056 /nfs/dbraw/zinc/15/90/56/569159056.db2.gz KJEXSRDVMLFBTI-GOSISDBHSA-N 0 0 440.499 5.547 50 0 IKAARN Cc1cccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)c1 ZINC000014609626 569159454 /nfs/dbraw/zinc/15/94/54/569159454.db2.gz DJYWUFBUFLMDFV-UHFFFAOYSA-N 0 0 433.309 5.258 50 0 IKAARN CCOc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000014610016 569159477 /nfs/dbraw/zinc/15/94/77/569159477.db2.gz PIQURQBQTLIEDH-UHFFFAOYSA-N 0 0 448.910 5.247 50 0 IKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccccc2Cl)cc1 ZINC000014610100 569159562 /nfs/dbraw/zinc/15/95/62/569159562.db2.gz LLYAPIOMFNXCMT-UHFFFAOYSA-N 0 0 432.911 5.465 50 0 IKAARN CCc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccccc3Cl)n2)cc1 ZINC000014610084 569159578 /nfs/dbraw/zinc/15/95/78/569159578.db2.gz PQDRWYJQIJAETF-UHFFFAOYSA-N 0 0 432.911 5.411 50 0 IKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000014635768 569159792 /nfs/dbraw/zinc/15/97/92/569159792.db2.gz WBQMHGNFJHXACA-UHFFFAOYSA-N 0 0 425.517 5.009 50 0 IKAARN O=C(Nc1ccnn1Cc1cc(Br)cs1)c1cc(F)c(Cl)cc1Cl ZINC000014636024 569159849 /nfs/dbraw/zinc/15/98/49/569159849.db2.gz BKLMMWAHRYDNFP-UHFFFAOYSA-N 0 0 449.132 5.454 50 0 IKAARN CC(C)(C(=O)NCc1ccnc2ccccc12)[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000089621128 569160024 /nfs/dbraw/zinc/16/00/24/569160024.db2.gz ORJCYCUPBXVRNK-SANMLTNESA-N 0 0 440.543 5.190 50 0 IKAARN CC(=O)c1sc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)nc1-c1ccccc1 ZINC000014657414 569160654 /nfs/dbraw/zinc/16/06/54/569160654.db2.gz DXYYKYQCBZACCT-UHFFFAOYSA-N 0 0 447.516 5.449 50 0 IKAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662103 569160999 /nfs/dbraw/zinc/16/09/99/569160999.db2.gz GRHRAEJAGOWHKT-PMACEKPBSA-N 0 0 445.991 5.749 50 0 IKAARN O=C(NCc1ccc(Cl)c(NC(=O)c2cc(F)cc(F)c2)c1)c1cc(F)cc(F)c1 ZINC000089768331 569162518 /nfs/dbraw/zinc/16/25/18/569162518.db2.gz UFUFPIHXXBOZHT-UHFFFAOYSA-N 0 0 436.792 5.079 50 0 IKAARN COC(=O)c1sc2ccccc2c1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000016837260 569162622 /nfs/dbraw/zinc/16/26/22/569162622.db2.gz WRYWUQPEOBTYSD-UHFFFAOYSA-N 0 0 444.537 6.217 50 0 IKAARN COC(=O)c1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2c1 ZINC000016837310 569162653 /nfs/dbraw/zinc/16/26/53/569162653.db2.gz DAXVJCYEADXQHM-UHFFFAOYSA-N 0 0 445.525 5.612 50 0 IKAARN CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2 ZINC000016837197 569162680 /nfs/dbraw/zinc/16/26/80/569162680.db2.gz ZUKSCUBIYVYPOI-UHFFFAOYSA-N 0 0 433.602 5.932 50 0 IKAARN CCOc1ccccc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 ZINC000016841125 569163240 /nfs/dbraw/zinc/16/32/40/569163240.db2.gz PFFRLCLHKKJUPJ-UHFFFAOYSA-N 0 0 433.327 5.234 50 0 IKAARN COc1ccc(NC(=O)[C@@H](C)Sc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000016841939 569163362 /nfs/dbraw/zinc/16/33/62/569163362.db2.gz WCSCBQPOXQVFGE-GFCCVEGCSA-N 0 0 433.327 5.232 50 0 IKAARN CCOc1ccccc1-c1nc(CSc2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)c(C)o1 ZINC000016841824 569163369 /nfs/dbraw/zinc/16/33/69/569163369.db2.gz DEAGJAUWCOLKFG-UHFFFAOYSA-N 0 0 449.532 5.512 50 0 IKAARN CCCCCn1c(=O)c2sccc2nc1SCc1nc(-c2cccc(C)c2)no1 ZINC000016843288 569163632 /nfs/dbraw/zinc/16/36/32/569163632.db2.gz VQHTXTUSHQABIC-UHFFFAOYSA-N 0 0 426.567 5.299 50 0 IKAARN CC(C)Cn1c(=O)c2sccc2nc1SCc1nc(-c2ccccc2Cl)no1 ZINC000016843533 569163738 /nfs/dbraw/zinc/16/37/38/569163738.db2.gz LNNADKRVMODNEO-UHFFFAOYSA-N 0 0 432.958 5.110 50 0 IKAARN O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCC1=CCCCC1 ZINC000016849194 569164488 /nfs/dbraw/zinc/16/44/88/569164488.db2.gz PHRUBYOLNIEJAO-UHFFFAOYSA-N 0 0 432.977 5.380 50 0 IKAARN COc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3ccc(C(C)C)cc3)cs2)cc1 ZINC000016849103 569164516 /nfs/dbraw/zinc/16/45/16/569164516.db2.gz LSCDWNNYCFVKCA-UHFFFAOYSA-N 0 0 438.553 5.490 50 0 IKAARN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016884359 569165203 /nfs/dbraw/zinc/16/52/03/569165203.db2.gz RJBNIEIEAZUYBI-UHFFFAOYSA-N 0 0 441.358 5.315 50 0 IKAARN O=C(CSc1ncnc2ccccc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000089823086 569165247 /nfs/dbraw/zinc/16/52/47/569165247.db2.gz DEIIUDKRQTWSFO-UHFFFAOYSA-N 0 0 433.920 5.245 50 0 IKAARN O=C(CCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000089830394 569165587 /nfs/dbraw/zinc/16/55/87/569165587.db2.gz XKUHECQSSFVMEQ-OAQYLSRUSA-N 0 0 429.545 5.099 50 0 IKAARN COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 ZINC000089904816 569167067 /nfs/dbraw/zinc/16/70/67/569167067.db2.gz YEKDDCBUFIMHPK-XMSQKQJNSA-N 0 0 430.957 5.467 50 0 IKAARN C[C@H](NC(=O)CCC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1 ZINC000089905509 569167151 /nfs/dbraw/zinc/16/71/51/569167151.db2.gz XOQIBEZUWPDJNL-GHTZIAJQSA-N 0 0 447.604 5.036 50 0 IKAARN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000089947879 569168470 /nfs/dbraw/zinc/16/84/70/569168470.db2.gz QFSAJGZDNZWQQW-HXUWFJFHSA-N 0 0 429.607 5.322 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc32)Cc2ccccn2)c1 ZINC000016977306 569168783 /nfs/dbraw/zinc/16/87/83/569168783.db2.gz WHGMGOFDLJNBQP-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cccc(F)c3)c2c1 ZINC000016977523 569168903 /nfs/dbraw/zinc/16/89/03/569168903.db2.gz FFKWUTSCZWXGCE-UHFFFAOYSA-N 0 0 437.540 5.659 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cccc(OC)c3)c2c1 ZINC000016977527 569168943 /nfs/dbraw/zinc/16/89/43/569168943.db2.gz PALKLIVTSWOPIY-UHFFFAOYSA-N 0 0 449.576 5.528 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccccn1)C(=S)NC1CCCCC1 ZINC000016977092 569168944 /nfs/dbraw/zinc/16/89/44/569168944.db2.gz GGRKWKSPUUVJBM-UHFFFAOYSA-N 0 0 441.044 5.777 50 0 IKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)NCc1ccccc1 ZINC000016977175 569168950 /nfs/dbraw/zinc/16/89/50/569168950.db2.gz WSKPSTFYWRKLGS-UHFFFAOYSA-N 0 0 437.996 5.842 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc32)Cc2ccco2)c1 ZINC000016977363 569168963 /nfs/dbraw/zinc/16/89/63/569168963.db2.gz SGPRCMOJJFZZEI-UHFFFAOYSA-N 0 0 437.540 5.659 50 0 IKAARN Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)NC4CCCCC4)n3)nc21 ZINC000016978854 569169198 /nfs/dbraw/zinc/16/91/98/569169198.db2.gz FHHCODMMXMWLGH-UHFFFAOYSA-N 0 0 443.598 5.087 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccccn1)C(=S)Nc1ccc(Cl)cc1 ZINC000016977638 569169245 /nfs/dbraw/zinc/16/92/45/569169245.db2.gz DHBKQWPBARZELP-UHFFFAOYSA-N 0 0 434.996 5.966 50 0 IKAARN COc1cccc(-c2nc(C)c(-c3ccc(SCc4ccc(Cl)cc4)nn3)s2)c1 ZINC000016992233 569169589 /nfs/dbraw/zinc/16/95/89/569169589.db2.gz CYYROGYIZFUYCE-UHFFFAOYSA-N 0 0 439.993 6.530 50 0 IKAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000016994157 569169709 /nfs/dbraw/zinc/16/97/09/569169709.db2.gz POZRPIBISJLWHE-UHFFFAOYSA-N 0 0 449.942 5.429 50 0 IKAARN CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1C ZINC000089984802 569169961 /nfs/dbraw/zinc/16/99/61/569169961.db2.gz UMXPMRYBSVXZNN-UHFFFAOYSA-N 0 0 443.525 5.333 50 0 IKAARN Cc1cc(C)cc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2F)c1 ZINC000017011019 569170344 /nfs/dbraw/zinc/17/03/44/569170344.db2.gz HZOSXFMTAJWUFP-UHFFFAOYSA-N 0 0 429.520 5.915 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc(-c2cccs2)cs1 ZINC000017012053 569170484 /nfs/dbraw/zinc/17/04/84/569170484.db2.gz QYMGFTNSLCCPMI-UHFFFAOYSA-N 0 0 430.942 5.280 50 0 IKAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000017012383 569170684 /nfs/dbraw/zinc/17/06/84/569170684.db2.gz CRYNRWKUAZHCAP-UHFFFAOYSA-N 0 0 449.558 5.158 50 0 IKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000017013296 569170727 /nfs/dbraw/zinc/17/07/27/569170727.db2.gz PVRZHYYHXGGJJP-UHFFFAOYSA-N 0 0 443.595 6.069 50 0 IKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(C)cc1C ZINC000017025941 569170931 /nfs/dbraw/zinc/17/09/31/569170931.db2.gz NPKMWYQCYZWPJW-UHFFFAOYSA-N 0 0 435.568 6.267 50 0 IKAARN C[C@H](CC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@H]1C)CC(C)(C)C ZINC000037355825 569170981 /nfs/dbraw/zinc/17/09/81/569170981.db2.gz KNRJAHFUWFTQIV-QZTJIDSGSA-N 0 0 445.007 5.422 50 0 IKAARN CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000017025787 569170982 /nfs/dbraw/zinc/17/09/82/569170982.db2.gz ZIVBGRGBONFQJH-LJQANCHMSA-N 0 0 439.972 5.198 50 0 IKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@@H]1C ZINC000037355827 569170984 /nfs/dbraw/zinc/17/09/84/569170984.db2.gz WTORVMOEBBVFOU-ZWKOTPCHSA-N 0 0 430.980 5.176 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1 ZINC000017042821 569171344 /nfs/dbraw/zinc/17/13/44/569171344.db2.gz WTOCOUGFDYQGCP-UHFFFAOYSA-N 0 0 427.483 5.972 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)cc1 ZINC000017042899 569171392 /nfs/dbraw/zinc/17/13/92/569171392.db2.gz NJDFMJLRTXDPFA-UHFFFAOYSA-N 0 0 445.548 5.381 50 0 IKAARN Cc1cc(Oc2cc(N3CCN(C(=O)CCC4CCCC4)[C@H](C)C3)ncn2)ccc1Cl ZINC000037356123 569171737 /nfs/dbraw/zinc/17/17/37/569171737.db2.gz UFZVMYWKLZDEAN-GOSISDBHSA-N 0 0 442.991 5.238 50 0 IKAARN Cc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(Cl)cc2)cc1 ZINC000017052124 569171977 /nfs/dbraw/zinc/17/19/77/569171977.db2.gz GYFZQMWJIUJRFB-UHFFFAOYSA-N 0 0 431.948 6.121 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@@H]1C ZINC000037356343 569172165 /nfs/dbraw/zinc/17/21/65/569172165.db2.gz KYLIETCCYAUOQG-IRXDYDNUSA-N 0 0 448.970 5.315 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@H]1C ZINC000037357054 569173177 /nfs/dbraw/zinc/17/31/77/569173177.db2.gz XXNALHSYXHXEJE-GOSISDBHSA-N 0 0 430.980 5.238 50 0 IKAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@@H]1C ZINC000037357013 569173193 /nfs/dbraw/zinc/17/31/93/569173193.db2.gz ZESGQIKKBMNRQL-OALUTQOASA-N 0 0 445.007 5.484 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc2c(=O)cc(-c3ccc(C(C)(C)C)cc3)oc2c1 ZINC000017112935 569174119 /nfs/dbraw/zinc/17/41/19/569174119.db2.gz ATIKIZCVLPLFOT-UHFFFAOYSA-N 0 0 427.500 6.018 50 0 IKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)Nc1ccc(F)cc1 ZINC000017121891 569174255 /nfs/dbraw/zinc/17/42/55/569174255.db2.gz IRALBOQMJKPXMQ-UHFFFAOYSA-N 0 0 432.568 5.761 50 0 IKAARN Cc1nc(-c2cccc(C)c2)sc1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000017135519 569174344 /nfs/dbraw/zinc/17/43/44/569174344.db2.gz MIAUSFGHANSCBW-UHFFFAOYSA-N 0 0 448.613 5.615 50 0 IKAARN CC(C)CNc1nc2nn(-c3ccc(Cl)cc3)c(N)c2c(-c2ccc(Cl)cc2)n1 ZINC000037357655 569174732 /nfs/dbraw/zinc/17/47/32/569174732.db2.gz QYHWABKJSWEZLY-UHFFFAOYSA-N 0 0 427.339 5.439 50 0 IKAARN O=C(COc1cccc2ccc(N3CCCCC3)nc21)Nc1ccc(Br)cc1 ZINC000017170551 569175528 /nfs/dbraw/zinc/17/55/28/569175528.db2.gz SBPPDFSOQCDYMT-UHFFFAOYSA-N 0 0 440.341 5.005 50 0 IKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@H](C)c3nnc(-c4ccccc4)o3)nc(=O)c12 ZINC000017189524 569175659 /nfs/dbraw/zinc/17/56/59/569175659.db2.gz PHBUZFXTAKBFTL-TZMCWYRMSA-N 0 0 440.594 5.785 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000937763 569176273 /nfs/dbraw/zinc/17/62/73/569176273.db2.gz VARMXOWLEKRXRI-MRXNPFEDSA-N 0 0 438.911 5.315 50 0 IKAARN O=C(COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 ZINC000000935800 569176324 /nfs/dbraw/zinc/17/63/24/569176324.db2.gz OSSKPPLQYZZTCC-UHFFFAOYSA-N 0 0 448.828 5.629 50 0 IKAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc12 ZINC000000950222 569176387 /nfs/dbraw/zinc/17/63/87/569176387.db2.gz SIASSTKCYQNXNO-UHFFFAOYSA-N 0 0 447.874 5.003 50 0 IKAARN C[C@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000000938037 569176401 /nfs/dbraw/zinc/17/64/01/569176401.db2.gz VPPJQZWQPCRZHL-INIZCTEOSA-N 0 0 442.437 5.041 50 0 IKAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2c(CC)cccc2CC)cc1 ZINC000000954926 569176419 /nfs/dbraw/zinc/17/64/19/569176419.db2.gz JBQXPGSONXXATG-UHFFFAOYSA-N 0 0 446.547 5.480 50 0 IKAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cccc(Cl)c1Cl ZINC000001051935 569176430 /nfs/dbraw/zinc/17/64/30/569176430.db2.gz VXVLVCPMTKEITD-UHFFFAOYSA-N 0 0 436.286 5.412 50 0 IKAARN Cc1ccccc1COc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O ZINC000001118810 569176669 /nfs/dbraw/zinc/17/66/69/569176669.db2.gz UFJXOUMEIPJOFH-LDADJPATSA-N 0 0 438.277 5.274 50 0 IKAARN CC[C@@H](C(=O)NCc1ccc(CNC(=O)[C@H](CC)c2ccccc2)cc1)c1ccccc1 ZINC000001113272 569176729 /nfs/dbraw/zinc/17/67/29/569176729.db2.gz UTTPTXKXMBIPQN-CLJLJLNGSA-N 0 0 428.576 5.307 50 0 IKAARN O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl ZINC000001117861 569176735 /nfs/dbraw/zinc/17/67/35/569176735.db2.gz HTSDYQFODOUERC-UHFFFAOYSA-N 0 0 431.113 5.218 50 0 IKAARN Cc1ccc2nc(-c3ccc(Br)c(NC(=O)c4ccc(F)cc4)c3)oc2c1 ZINC000001123504 569176818 /nfs/dbraw/zinc/17/68/18/569176818.db2.gz RGOMOYRHHMPMPK-UHFFFAOYSA-N 0 0 425.257 5.957 50 0 IKAARN CCC(=O)Oc1c(Cl)cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC ZINC000002071195 569177002 /nfs/dbraw/zinc/17/70/02/569177002.db2.gz RCUVCAOWWOGEKF-LDADJPATSA-N 0 0 441.911 5.306 50 0 IKAARN Cc1ccc(NC(=O)CSc2cc(C)nc(SCc3ccc(Cl)cc3)n2)cc1 ZINC000002074246 569177129 /nfs/dbraw/zinc/17/71/29/569177129.db2.gz HUVKNOZLCMBDBY-UHFFFAOYSA-N 0 0 429.998 5.770 50 0 IKAARN COc1cccc(OCCCOc2ccc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)cc2)c1 ZINC000002822752 569177418 /nfs/dbraw/zinc/17/74/18/569177418.db2.gz HLJMISKRRBMJLL-LFVJCYFKSA-N 0 0 447.462 5.027 50 0 IKAARN O=C(c1cccc(Cl)c1Cl)N(C(=O)c1cccc(Cl)c1Cl)C1=NCCS1 ZINC000002826331 569177439 /nfs/dbraw/zinc/17/74/39/569177439.db2.gz OJKDLVUYLBFVSI-UHFFFAOYSA-N 0 0 448.158 5.686 50 0 IKAARN Cc1cccc(C)c1NC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000002826693 569177458 /nfs/dbraw/zinc/17/74/58/569177458.db2.gz RAKHQENRHMPBFF-QGZVFWFLSA-N 0 0 446.616 6.313 50 0 IKAARN Cc1oc2cc(COC(=O)c3ccc(Cl)s3)ccc2c(=O)c1-c1ccccc1Cl ZINC000002871985 569177541 /nfs/dbraw/zinc/17/75/41/569177541.db2.gz WCJSTHMJPQPYQT-UHFFFAOYSA-N 0 0 445.323 6.494 50 0 IKAARN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000002876772 569177565 /nfs/dbraw/zinc/17/75/65/569177565.db2.gz BIYURTAZUOPONF-UHFFFAOYSA-N 0 0 437.874 5.855 50 0 IKAARN O=C(CC(=O)Nc1ccc2c(c1)oc1ccccc12)Nc1ccc2c(c1)oc1ccccc12 ZINC000002873151 569177575 /nfs/dbraw/zinc/17/75/75/569177575.db2.gz UKHAIWUTZVQPSH-UHFFFAOYSA-N 0 0 434.451 6.453 50 0 IKAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3C)s2)c1 ZINC000002872296 569177601 /nfs/dbraw/zinc/17/76/01/569177601.db2.gz RZHDKBRVWJKYSA-KRWDZBQOSA-N 0 0 441.622 5.977 50 0 IKAARN C[C@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000003017278 569177695 /nfs/dbraw/zinc/17/76/95/569177695.db2.gz ZHQDANYITCKMRR-HNNXBMFYSA-N 0 0 443.330 5.329 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)cs1)CCC2 ZINC000002890887 569177697 /nfs/dbraw/zinc/17/76/97/569177697.db2.gz OEGJGGKEOFPDFM-UHFFFAOYSA-N 0 0 444.603 5.268 50 0 IKAARN Cc1cccc(COc2ccccc2/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 ZINC000002084239 569178297 /nfs/dbraw/zinc/17/82/97/569178297.db2.gz LLWPDXCCPYSPBZ-ULJHMMPZSA-N 0 0 425.528 6.216 50 0 IKAARN Cc1cccc(COc2ccc(/C=C3\N=C(c4ccc(Br)cc4)OC3=O)cc2)c1 ZINC000002084827 569178335 /nfs/dbraw/zinc/17/83/35/569178335.db2.gz NOHBXQCJLHZBDZ-HMAPJEAMSA-N 0 0 448.316 5.681 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000006925015 569178532 /nfs/dbraw/zinc/17/85/32/569178532.db2.gz HCPSIQYAGJBZPL-FYYLOGMGSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCCCC2)cc1 ZINC000006924992 569178566 /nfs/dbraw/zinc/17/85/66/569178566.db2.gz FNUZRTUZQWTLEY-HXUWFJFHSA-N 0 0 427.342 5.662 50 0 IKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(NC(C)=O)cc3)c2)cc1 ZINC000002091839 569178651 /nfs/dbraw/zinc/17/86/51/569178651.db2.gz NHNKSXSYZLCEDI-RMLRFSFXSA-N 0 0 442.515 5.925 50 0 biogenic IKAARN COc1ccc(C(=O)NCC[C@@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 ZINC000002092311 569178881 /nfs/dbraw/zinc/17/88/81/569178881.db2.gz QULLAJKVAWUUEM-DEOSSOPVSA-N 0 0 433.548 5.443 50 0 biogenic IKAARN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002093023 569178954 /nfs/dbraw/zinc/17/89/54/569178954.db2.gz TYVQHTFSJGZSQP-FQEVSTJZSA-N 0 0 437.492 5.059 50 0 biogenic IKAARN COc1ccc([C@H](CCN(Cc2ccc(OC(C)C)cc2)C(=O)c2ccco2)C(C)C)cc1 ZINC000002092000 569178982 /nfs/dbraw/zinc/17/89/82/569178982.db2.gz JZCXIACENTUZDI-AREMUKBSSA-N 0 0 449.591 6.548 50 0 biogenic IKAARN CCCCOc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002093951 569179063 /nfs/dbraw/zinc/17/90/63/569179063.db2.gz WKYZBFRISPMWFE-UHFFFAOYSA-N 0 0 443.499 5.656 50 0 biogenic IKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c3cc12 ZINC000002095369 569179113 /nfs/dbraw/zinc/17/91/13/569179113.db2.gz NVUYWUBBBZNSTE-UHFFFAOYSA-N 0 0 430.287 6.034 50 0 biogenic IKAARN COc1ccc(CN(CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1OC ZINC000002101384 569179863 /nfs/dbraw/zinc/17/98/63/569179863.db2.gz JZTSCFGXWALULC-HSZRJFAPSA-N 0 0 447.531 5.003 50 0 biogenic IKAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002103174 569180017 /nfs/dbraw/zinc/18/00/17/569180017.db2.gz FEZSASLVQYQVCM-BDYUSTAISA-N 0 0 449.554 5.770 50 0 biogenic IKAARN C[C@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000170640203 569180211 /nfs/dbraw/zinc/18/02/11/569180211.db2.gz VPUXIQFXQUUJRI-AWEZNQCLSA-N 0 0 440.421 5.219 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000000623001 569180300 /nfs/dbraw/zinc/18/03/00/569180300.db2.gz KNENJPOWCFQTFV-UHFFFAOYSA-N 0 0 428.561 5.206 50 0 IKAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000000638175 569180313 /nfs/dbraw/zinc/18/03/13/569180313.db2.gz DWPXVRNTXHVQOB-BJKOFHAPSA-N 0 0 426.907 5.453 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000000679107 569180328 /nfs/dbraw/zinc/18/03/28/569180328.db2.gz XZEFLNCIPCOIFP-UHFFFAOYSA-N 0 0 444.560 5.236 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccccc3c2=O)cc1 ZINC000000731811 569180359 /nfs/dbraw/zinc/18/03/59/569180359.db2.gz KUUIHGDWEVSDNF-UHFFFAOYSA-N 0 0 429.545 5.042 50 0 IKAARN COc1ccc(-n2c(SCC(=O)C(C)(C)C)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000001088233 569180442 /nfs/dbraw/zinc/18/04/42/569180442.db2.gz XQVPXHZHOUBDJO-UHFFFAOYSA-N 0 0 442.606 5.042 50 0 IKAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000000901305 569180449 /nfs/dbraw/zinc/18/04/49/569180449.db2.gz LKOROUZPJCWFPJ-GJZGRUSLSA-N 0 0 443.494 5.621 50 0 IKAARN Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000001088897 569180458 /nfs/dbraw/zinc/18/04/58/569180458.db2.gz FTJHEVNLKIDAFB-UHFFFAOYSA-N 0 0 437.366 5.693 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000001476567 569180550 /nfs/dbraw/zinc/18/05/50/569180550.db2.gz XSJVGVJJQFHSMZ-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN CCC(=O)N[C@H](n1c2ccccc2nc1SCc1ccccc1)C(Cl)(Cl)Cl ZINC000001449315 569180611 /nfs/dbraw/zinc/18/06/11/569180611.db2.gz DOVRFYQRWBBYEV-QGZVFWFLSA-N 0 0 442.799 5.724 50 0 IKAARN Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002170479 569180660 /nfs/dbraw/zinc/18/06/60/569180660.db2.gz LDPOQWNTRRGURO-UHFFFAOYSA-N 0 0 442.603 7.095 50 0 IKAARN COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c3cccc(C)c3n2)cc1 ZINC000002079425 569180663 /nfs/dbraw/zinc/18/06/63/569180663.db2.gz DHPZTEYMJVIPOR-GOSISDBHSA-N 0 0 425.484 5.647 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002263129 569180668 /nfs/dbraw/zinc/18/06/68/569180668.db2.gz RQPTWDRIRRDLRF-UHFFFAOYSA-N 0 0 449.963 5.880 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000002260056 569180672 /nfs/dbraw/zinc/18/06/72/569180672.db2.gz RJVSBCFEVMJFQS-UHFFFAOYSA-N 0 0 440.927 5.869 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc3ccccc32)cc1 ZINC000002262780 569180680 /nfs/dbraw/zinc/18/06/80/569180680.db2.gz VTTISFFCPXTIQN-UHFFFAOYSA-N 0 0 438.552 6.230 50 0 IKAARN Cc1cccc2c(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc(-c3ccc(Cl)cc3)nc12 ZINC000002079428 569180685 /nfs/dbraw/zinc/18/06/85/569180685.db2.gz DPVRGXNAALMFPA-KRWDZBQOSA-N 0 0 429.903 6.292 50 0 IKAARN O=C(Oc1ccc(Cl)cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002284753 569180699 /nfs/dbraw/zinc/18/06/99/569180699.db2.gz VLIHRKXNRHFMPE-UHFFFAOYSA-N 0 0 438.708 6.537 50 0 IKAARN O=C(Oc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc21 ZINC000002285025 569180705 /nfs/dbraw/zinc/18/07/05/569180705.db2.gz JLLGEMBISSLMPJ-UHFFFAOYSA-N 0 0 438.708 6.537 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000013552552 569181032 /nfs/dbraw/zinc/18/10/32/569181032.db2.gz NAAKUXWEAANKQZ-ISKFKSNPSA-N 0 0 439.342 6.553 50 0 IKAARN COc1ccccc1[C@@H](CCN(Cc1ccccc1)C(C)=O)c1ccc(OC(C)C)cc1 ZINC000002106795 569181168 /nfs/dbraw/zinc/18/11/68/569181168.db2.gz RDVIABFILVLRPD-SANMLTNESA-N 0 0 431.576 6.053 50 0 biogenic IKAARN CCCCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002107029 569181175 /nfs/dbraw/zinc/18/11/75/569181175.db2.gz MKYPRURZVRYSAR-WIOPSUGQSA-N 0 0 449.982 5.087 50 0 biogenic IKAARN CCCCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)C1=O ZINC000002107028 569181193 /nfs/dbraw/zinc/18/11/93/569181193.db2.gz MKYPRURZVRYSAR-RCZVLFRGSA-N 0 0 449.982 5.087 50 0 biogenic IKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 ZINC000002107248 569181200 /nfs/dbraw/zinc/18/12/00/569181200.db2.gz NYGIENSDAYGZCC-UHFFFAOYSA-N 0 0 441.310 6.663 50 0 IKAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000002107031 569181206 /nfs/dbraw/zinc/18/12/06/569181206.db2.gz MKYPRURZVRYSAR-DHLKQENFSA-N 0 0 449.982 5.087 50 0 biogenic IKAARN Nc1c2c(nn1-c1ccccc1Cl)nc(N1CCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037360952 569181575 /nfs/dbraw/zinc/18/15/75/569181575.db2.gz IKQVZCFXNBKBKI-UHFFFAOYSA-N 0 0 443.313 5.111 50 0 IKAARN COc1cccc(-c2nc(NCC(C)C)nc3nn(-c4ccc(C(C)C)cc4)c(N)c32)c1 ZINC000037361218 569181584 /nfs/dbraw/zinc/18/15/84/569181584.db2.gz GEMDIYWPJTVWHB-UHFFFAOYSA-N 0 0 430.556 5.265 50 0 IKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1cccc(Br)c1)CO2 ZINC000002112696 569182090 /nfs/dbraw/zinc/18/20/90/569182090.db2.gz XTMQVHZQAWVTSB-UHFFFAOYSA-N 0 0 448.316 5.887 50 0 biogenic IKAARN COc1ccccc1CNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(C(C)C)cc2)n1 ZINC000002112654 569182136 /nfs/dbraw/zinc/18/21/36/569182136.db2.gz JBCFEHWFJJWYCM-UHFFFAOYSA-N 0 0 449.554 6.445 50 0 biogenic IKAARN CSC1=N[C@H](SCC(=O)N[C@H](C)Cc2ccccc2)c2c3c(sc2N1)CCCC3 ZINC000002117781 569182606 /nfs/dbraw/zinc/18/26/06/569182606.db2.gz CICZKHRHCRHJSN-JLTOFOAXSA-N 0 0 445.679 5.060 50 0 IKAARN COc1cccc(-c2nc(C(=O)NC3CCCCC3)cc3c4ccccc4[nH]c32)c1OC ZINC000002118622 569182678 /nfs/dbraw/zinc/18/26/78/569182678.db2.gz XWNBJMAARMGMTI-UHFFFAOYSA-N 0 0 429.520 5.463 50 0 biogenic IKAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000027161279 569182684 /nfs/dbraw/zinc/18/26/84/569182684.db2.gz WZVNTLGLYBNYMM-XMMPIXPASA-N 0 0 449.547 5.195 50 0 IKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3cccc(Cl)c3)n2)cc1 ZINC000002118565 569182691 /nfs/dbraw/zinc/18/26/91/569182691.db2.gz CBMHYFCHMDNNFE-UHFFFAOYSA-N 0 0 441.918 5.975 50 0 biogenic IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000027161275 569182692 /nfs/dbraw/zinc/18/26/92/569182692.db2.gz WZVNTLGLYBNYMM-DEOSSOPVSA-N 0 0 449.547 5.195 50 0 IKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(Br)cc2C)CO1 ZINC000002119583 569182768 /nfs/dbraw/zinc/18/27/68/569182768.db2.gz BXEOFJTZONTYJP-UHFFFAOYSA-N 0 0 428.326 5.563 50 0 biogenic IKAARN O=C(NC[C@@H](O)c1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000002121173 569183446 /nfs/dbraw/zinc/18/34/46/569183446.db2.gz FOESLKQBDXHNDH-HSZRJFAPSA-N 0 0 441.918 5.500 50 0 biogenic IKAARN CC(=O)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000254746227 569183448 /nfs/dbraw/zinc/18/34/48/569183448.db2.gz XRPYRCCVSZYAQT-PALXIUJUSA-N 0 0 428.657 6.893 50 0 IKAARN O=C(NCCc1ccc(F)cc1)c1cc2c3ccccc3[nH]c2c(CCc2ccccc2)n1 ZINC000002121901 569183561 /nfs/dbraw/zinc/18/35/61/569183561.db2.gz SDLHJRGNVVUMBN-UHFFFAOYSA-N 0 0 437.518 5.613 50 0 biogenic IKAARN COc1ccc(-c2nc(C(=O)NCc3ccccc3)cc3c4ccccc4[nH]c32)cc1OC ZINC000002122688 569183565 /nfs/dbraw/zinc/18/35/65/569183565.db2.gz PMIJNIKPGPIYNS-UHFFFAOYSA-N 0 0 437.499 5.330 50 0 biogenic IKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc(F)cc3F)cc2o1 ZINC000002125013 569184057 /nfs/dbraw/zinc/18/40/57/569184057.db2.gz BJESGVYQXHHYFH-UHFFFAOYSA-N 0 0 432.378 5.424 50 0 biogenic IKAARN COc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)cc3c4ccccc4[nH]c32)cc1 ZINC000002129092 569184318 /nfs/dbraw/zinc/18/43/18/569184318.db2.gz OIDZUEXGMDVMOS-UHFFFAOYSA-N 0 0 441.918 5.975 50 0 biogenic IKAARN CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000002129019 569184319 /nfs/dbraw/zinc/18/43/19/569184319.db2.gz ALRFUPNFCYXTHO-IDRNJTBQSA-N 0 0 448.607 5.600 50 0 biogenic IKAARN Cc1c(OC/C=C/c2ccccc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002130474 569184869 /nfs/dbraw/zinc/18/48/69/569184869.db2.gz ZKUCXDPVDZALCE-JXMROGBWSA-N 0 0 436.463 5.967 50 0 biogenic IKAARN COc1ccc(-c2nc(C(=O)NCCc3ccc(F)cc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002130710 569184882 /nfs/dbraw/zinc/18/48/82/569184882.db2.gz KZVSNMPPKHTGNY-UHFFFAOYSA-N 0 0 439.490 5.503 50 0 biogenic IKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@@H](C)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000252479449 569186205 /nfs/dbraw/zinc/18/62/05/569186205.db2.gz BFIWXCINVKVDRY-OYRDERLMSA-N 0 0 444.575 5.386 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C(C)C ZINC000252484670 569186637 /nfs/dbraw/zinc/18/66/37/569186637.db2.gz GEAJDSGHPSGJJZ-UHFFFAOYSA-N 0 0 446.576 5.266 50 0 IKAARN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c2occ(-c3ccc4ccccc4c3)c21 ZINC000002145761 569186802 /nfs/dbraw/zinc/18/68/02/569186802.db2.gz JTXMQTCCCJQBSX-UHFFFAOYSA-N 0 0 430.503 7.567 50 0 biogenic IKAARN COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc(-c6ccccc6)cc5)c4cc32)cc1 ZINC000002146351 569186968 /nfs/dbraw/zinc/18/69/68/569186968.db2.gz YENIBFOYDCZKAT-UHFFFAOYSA-N 0 0 444.486 7.549 50 0 biogenic IKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000002151592 569187306 /nfs/dbraw/zinc/18/73/06/569187306.db2.gz YPJJNZIUMZVVNB-UHFFFAOYSA-N 0 0 440.282 5.784 50 0 biogenic IKAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)ccc12 ZINC000002150413 569187310 /nfs/dbraw/zinc/18/73/10/569187310.db2.gz NBKBKRNRMMGSCU-VFNWGFHPSA-N 0 0 445.556 5.289 50 0 biogenic IKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3c(F)cccc3Cl)c(C)c2oc1=O ZINC000002150444 569187314 /nfs/dbraw/zinc/18/73/14/569187314.db2.gz ODDQSVPSXAAJLH-UHFFFAOYSA-N 0 0 432.875 5.277 50 0 biogenic IKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000002156801 569187518 /nfs/dbraw/zinc/18/75/18/569187518.db2.gz PXFIGWQJJVTBOX-HHHXNRCGSA-N 0 0 447.531 5.180 50 0 biogenic IKAARN COc1ccc(CCN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2)cc1 ZINC000002156400 569187539 /nfs/dbraw/zinc/18/75/39/569187539.db2.gz FKWXZHXWPHYBQI-RUZDIDTESA-N 0 0 439.511 5.206 50 0 biogenic IKAARN CCCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)cc(CCCC)c4cc3C2)cc1 ZINC000002159364 569187694 /nfs/dbraw/zinc/18/76/94/569187694.db2.gz XCNPOVREQZQPGV-UHFFFAOYSA-N 0 0 449.547 5.757 50 0 biogenic IKAARN FC(F)(F)c1cc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000002158181 569187719 /nfs/dbraw/zinc/18/77/19/569187719.db2.gz MUNSRHSXAAEEQW-UHFFFAOYSA-N 0 0 429.239 6.745 50 0 IKAARN COc1ccc(-c2csc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)n2)cc1 ZINC000252507352 569188207 /nfs/dbraw/zinc/18/82/07/569188207.db2.gz WJCOBQOVCYKMKU-UHFFFAOYSA-N 0 0 430.942 5.079 50 0 IKAARN COc1cc2cc(C3=NN(C(=O)C(C)C)[C@@H](c4ccccc4)C3)c(Cl)nc2cc1OC ZINC000012981288 569188596 /nfs/dbraw/zinc/18/85/96/569188596.db2.gz AHAPMIXXOVRRQF-HXUWFJFHSA-N 0 0 437.927 5.239 50 0 IKAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524735617 569188764 /nfs/dbraw/zinc/18/87/64/569188764.db2.gz NTTLGTSHRSMWBN-ZEQRLZLVSA-N 0 0 446.620 5.899 50 0 IKAARN C/C(=C/c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(Cl)cc1 ZINC000208305859 569189443 /nfs/dbraw/zinc/18/94/43/569189443.db2.gz LAUIHJGMLITEMF-DHAULRCESA-N 0 0 444.962 5.809 50 0 IKAARN COc1ccc(NC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000034675839 569189461 /nfs/dbraw/zinc/18/94/61/569189461.db2.gz SPFFTMFKOUKHTK-UHFFFAOYSA-N 0 0 433.527 5.170 50 0 IKAARN C/C(=C/c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(Cl)cc1 ZINC000208307393 569189558 /nfs/dbraw/zinc/18/95/58/569189558.db2.gz ZXJHKGHPSCMZCD-QTJCXVFLSA-N 0 0 444.962 5.809 50 0 IKAARN C/C(=C/c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(Cl)cc1 ZINC000208307356 569189602 /nfs/dbraw/zinc/18/96/02/569189602.db2.gz ZXJHKGHPSCMZCD-DPSLAJKWSA-N 0 0 444.962 5.809 50 0 IKAARN COc1ccc(-c2csc(C3=C(N)N(CCc4c[nH]c5ccccc45)CC3=O)n2)cc1 ZINC000252533038 569189698 /nfs/dbraw/zinc/18/96/98/569189698.db2.gz FTSGHQYQFWHJCL-UHFFFAOYSA-N 0 0 430.533 5.105 50 0 IKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2cccc(F)c2)n1-c1ccccc1 ZINC000252536641 569189874 /nfs/dbraw/zinc/18/98/74/569189874.db2.gz JAWYOOWVGWYLCU-UHFFFAOYSA-N 0 0 427.504 5.812 50 0 IKAARN Cc1c(C)c(COc2cccc3cccnc32)c(C)c(C)c1COc1cccc2cccnc21 ZINC000002181372 569190400 /nfs/dbraw/zinc/19/04/00/569190400.db2.gz VDRLTHAQPGXTEO-UHFFFAOYSA-N 0 0 448.566 7.175 50 0 IKAARN CCOC(=O)C=C(C)Nc1c(-c2cccc(Br)c2)c(C)nn1-c1ccccc1 ZINC000002186734 569190485 /nfs/dbraw/zinc/19/04/85/569190485.db2.gz GXBJFNNNLJPPGS-SQFISAMPSA-N 0 0 440.341 5.489 50 0 IKAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000002187750 569190539 /nfs/dbraw/zinc/19/05/39/569190539.db2.gz OBJBSFTYEUSUMS-KGENOOAVSA-N 0 0 434.289 5.373 50 0 IKAARN Fc1cccc(-c2nnc(SCc3cc4c(cc3Cl)OCO4)n2-c2ccccc2)c1 ZINC000002191932 569190649 /nfs/dbraw/zinc/19/06/49/569190649.db2.gz PINLUNBGGIAWDA-UHFFFAOYSA-N 0 0 439.899 5.748 50 0 IKAARN COc1ccc([C@H](C(C)C)N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1OC ZINC000252571834 569191185 /nfs/dbraw/zinc/19/11/85/569191185.db2.gz YOKWQFVGOWWNSM-QHCPKHFHSA-N 0 0 449.576 5.787 50 0 IKAARN COc1ccc([C@@H](C(C)C)N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1OC ZINC000252571832 569191191 /nfs/dbraw/zinc/19/11/91/569191191.db2.gz YOKWQFVGOWWNSM-HSZRJFAPSA-N 0 0 449.576 5.787 50 0 IKAARN COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 ZINC000002194917 569191382 /nfs/dbraw/zinc/19/13/82/569191382.db2.gz OFZAWMYGLPSOJC-UHFFFAOYSA-N 0 0 429.476 5.120 50 0 IKAARN CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3nc12 ZINC000002199256 569191517 /nfs/dbraw/zinc/19/15/17/569191517.db2.gz VBGXCUUDRYNTOS-LBPRGKRZSA-N 0 0 444.413 5.010 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccco3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000037379699 569191646 /nfs/dbraw/zinc/19/16/46/569191646.db2.gz IXIZNHUJULWEBJ-LJQANCHMSA-N 0 0 441.358 6.469 50 0 IKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccco3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037381183 569191841 /nfs/dbraw/zinc/19/18/41/569191841.db2.gz ZBOPFEIEVFUNTE-OAQYLSRUSA-N 0 0 432.520 5.179 50 0 IKAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(-c4ccco4)nc4ccccc43)CC2)cc1 ZINC000037381416 569191854 /nfs/dbraw/zinc/19/18/54/569191854.db2.gz FQZPFSGPWGKODH-UHFFFAOYSA-N 0 0 440.547 5.150 50 0 IKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000037382065 569191867 /nfs/dbraw/zinc/19/18/67/569191867.db2.gz NYZIACKAUDKWPC-UHFFFAOYSA-N 0 0 442.950 5.221 50 0 IKAARN O=C(c1cccc(F)c1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC000037383254 569191959 /nfs/dbraw/zinc/19/19/59/569191959.db2.gz HCWLBQNZDSDPEV-UHFFFAOYSA-N 0 0 446.913 5.052 50 0 IKAARN CC(C)CN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383584 569191971 /nfs/dbraw/zinc/19/19/71/569191971.db2.gz HLOGFSBUXBPZFF-HXUWFJFHSA-N 0 0 442.563 5.620 50 0 IKAARN C[C@@H](NC(=O)CCN(Cc1ccco1)c1nc(C2CC2)nc2ccccc21)c1ccccc1 ZINC000037384108 569192105 /nfs/dbraw/zinc/19/21/05/569192105.db2.gz NEJOCHPAKUPBDK-LJQANCHMSA-N 0 0 440.547 5.374 50 0 IKAARN CC[C@H](C)NC(=O)CCN(Cc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000037384548 569192137 /nfs/dbraw/zinc/19/21/37/569192137.db2.gz KAIUFENQCKGCOZ-KRWDZBQOSA-N 0 0 436.987 5.472 50 0 IKAARN CCCN(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384532 569192140 /nfs/dbraw/zinc/19/21/40/569192140.db2.gz WFXYRBKUEZKKKR-IBGZPJMESA-N 0 0 444.604 5.842 50 0 IKAARN CC(C)N(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037384068 569192144 /nfs/dbraw/zinc/19/21/44/569192144.db2.gz IXZUBJCFZBBBKM-LJQANCHMSA-N 0 0 428.536 5.372 50 0 IKAARN COc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000037384622 569192153 /nfs/dbraw/zinc/19/21/53/569192153.db2.gz ZVHAOPRRDXRFCG-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N[C@H](C)c2ccccc2)CC(C)C)n1 ZINC000037385030 569192239 /nfs/dbraw/zinc/19/22/39/569192239.db2.gz FILAZVXDKIHVEH-GOSISDBHSA-N 0 0 439.003 5.576 50 0 IKAARN COc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000037385004 569192272 /nfs/dbraw/zinc/19/22/72/569192272.db2.gz DINPXBYIWNMVEX-UHFFFAOYSA-N 0 0 434.521 5.044 50 0 IKAARN CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000037384938 569192284 /nfs/dbraw/zinc/19/22/84/569192284.db2.gz JGUTWFPEBJRYCE-UHFFFAOYSA-N 0 0 443.290 5.485 50 0 IKAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)CC(C)(C)C)c2)n1 ZINC000037385167 569192377 /nfs/dbraw/zinc/19/23/77/569192377.db2.gz LEQMQKYRQZAXBS-UHFFFAOYSA-N 0 0 436.556 5.033 50 0 IKAARN COc1cccc(-c2nc(OC(C)C)nn2-c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000037385322 569192379 /nfs/dbraw/zinc/19/23/79/569192379.db2.gz QVXAUAKWACUXOK-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN COc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000037385168 569192390 /nfs/dbraw/zinc/19/23/90/569192390.db2.gz WPDKMLBBNMXCBK-UHFFFAOYSA-N 0 0 446.482 5.122 50 0 IKAARN Fc1nc(F)c(Cl)c(Oc2cccc(Oc3c(F)c(F)nc(F)c3Cl)c2)c1F ZINC000002200344 569192417 /nfs/dbraw/zinc/19/24/17/569192417.db2.gz GULVCGQMDDQNPE-UHFFFAOYSA-N 0 0 441.114 6.203 50 0 IKAARN COc1cccc(C(=O)Oc2ccc3c(c2)occ(-c2nc4ccccc4s2)c3=O)c1 ZINC000002203974 569192843 /nfs/dbraw/zinc/19/28/43/569192843.db2.gz DVTLQJOTJPDECN-UHFFFAOYSA-N 0 0 429.453 5.298 50 0 IKAARN Cc1cc(C)c(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000002204038 569192861 /nfs/dbraw/zinc/19/28/61/569192861.db2.gz HPCUEOFQVHEGMK-UHFFFAOYSA-N 0 0 432.951 6.111 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2cc(C)cc(C)c2o1 ZINC000002204186 569192867 /nfs/dbraw/zinc/19/28/67/569192867.db2.gz QMMAIVOBKIYNIS-UHFFFAOYSA-N 0 0 447.512 5.567 50 0 IKAARN CC(C)(C)c1cc(NCc2ccc(Cl)cc2Cl)n2ncc(-c3ccccc3)c2n1 ZINC000002205001 569192925 /nfs/dbraw/zinc/19/29/25/569192925.db2.gz HGDCVNQFFXONDM-UHFFFAOYSA-N 0 0 425.363 6.613 50 0 IKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(OC)cc3OC)c2)cc1 ZINC000002204679 569192969 /nfs/dbraw/zinc/19/29/69/569192969.db2.gz KFTFFKKPUGXBDO-WEMUOSSPSA-N 0 0 445.515 5.983 50 0 IKAARN COc1ccc(NC(=O)CCn2c(Cc3ccccc3Cl)nc3ccccc32)cc1OC ZINC000037396943 569192972 /nfs/dbraw/zinc/19/29/72/569192972.db2.gz WOEFOQZYLIOIGG-UHFFFAOYSA-N 0 0 449.938 5.327 50 0 IKAARN CCC[C@H](C(=O)N(C)Cc1ccccc1)n1c2ccccc2nc1Cc1ccccc1Cl ZINC000037396742 569193091 /nfs/dbraw/zinc/19/30/91/569193091.db2.gz JQCGDYCHMPFQMJ-RUZDIDTESA-N 0 0 445.994 6.280 50 0 IKAARN CCC[C@@H](C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397191 569193199 /nfs/dbraw/zinc/19/31/99/569193199.db2.gz SHJGDVNGPVDCLO-NRFANRHFSA-N 0 0 446.378 5.134 50 0 IKAARN CC[C@H](C(=O)NCc1ccco1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398607 569193873 /nfs/dbraw/zinc/19/38/73/569193873.db2.gz MPPXMDVIQQYWFG-HXUWFJFHSA-N 0 0 442.346 5.794 50 0 IKAARN CCCNC(=O)c1ccc(Cn2c(Cc3ccccc3Cl)nc3cc(C)c(C)cc32)cc1 ZINC000037398605 569193884 /nfs/dbraw/zinc/19/38/84/569193884.db2.gz JQQBQUAVFJUYAN-UHFFFAOYSA-N 0 0 445.994 6.085 50 0 IKAARN COc1cc(CNc2ccc(C(N)=O)cc2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000170686053 569195474 /nfs/dbraw/zinc/19/54/74/569195474.db2.gz MDTALFNRBQPNGK-UHFFFAOYSA-N 0 0 430.426 5.004 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nnc(-c3ccccc3)o2)cc1C ZINC000027375673 569195735 /nfs/dbraw/zinc/19/57/35/569195735.db2.gz ZMRXNMQOEOMYRE-UHFFFAOYSA-N 0 0 449.558 5.838 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3Cl)nc2c1 ZINC000037426004 569195819 /nfs/dbraw/zinc/19/58/19/569195819.db2.gz VAAAGYZIZJJDMM-UHFFFAOYSA-N 0 0 431.706 7.016 50 0 IKAARN Cc1ccc2oc(-c3ccccc3OS(=O)(=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000037427707 569195855 /nfs/dbraw/zinc/19/58/55/569195855.db2.gz CHZCZTXLEAAPGM-UHFFFAOYSA-N 0 0 433.407 5.590 50 0 IKAARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@H]1C=C[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC000037427279 569195863 /nfs/dbraw/zinc/19/58/63/569195863.db2.gz WGJGIICATZSTRQ-PXARDIRTSA-N 0 0 441.886 5.165 50 0 IKAARN CC[C@@H](C(=O)NCc1ccncc1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037438778 569196293 /nfs/dbraw/zinc/19/62/93/569196293.db2.gz SJHIIIKSWBLYCP-FQEVSTJZSA-N 0 0 438.597 5.077 50 0 IKAARN CC[C@@H](C(=O)NCCOC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 ZINC000037439299 569196354 /nfs/dbraw/zinc/19/63/54/569196354.db2.gz WLZYNRJBOGSKAP-FQEVSTJZSA-N 0 0 447.963 5.282 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439168 569196355 /nfs/dbraw/zinc/19/63/55/569196355.db2.gz DGUKFWCXTJLVCG-LJQANCHMSA-N 0 0 449.353 5.845 50 0 IKAARN O=C(C1CCC1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439162 569196401 /nfs/dbraw/zinc/19/64/01/569196401.db2.gz XOGGVSIMXIOKEV-GOSISDBHSA-N 0 0 435.326 5.454 50 0 IKAARN O=C(C1CC1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440162 569196458 /nfs/dbraw/zinc/19/64/58/569196458.db2.gz KMHPUHXWERRCGT-INIZCTEOSA-N 0 0 437.754 5.579 50 0 IKAARN COc1ccccc1N(CC(=O)NCc1ccco1)c1nc(-c2ccc(C)cc2)cs1 ZINC000037439482 569196488 /nfs/dbraw/zinc/19/64/88/569196488.db2.gz YJZJMJQYGRYBGB-UHFFFAOYSA-N 0 0 433.533 5.175 50 0 IKAARN COc1ccc(-c2csc(N(c3ccccc3Cl)[C@H](C)C(=O)N3CCCC3)n2)cc1 ZINC000037439883 569196499 /nfs/dbraw/zinc/19/64/99/569196499.db2.gz UKKLFCZYAOKEFL-MRXNPFEDSA-N 0 0 441.984 5.621 50 0 IKAARN O=C(c1cccs1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440493 569196589 /nfs/dbraw/zinc/19/65/89/569196589.db2.gz OXRNMLPFFBSBAX-SFHVURJKSA-N 0 0 445.371 5.891 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440217 569196608 /nfs/dbraw/zinc/19/66/08/569196608.db2.gz KULHQEOPVNPLNT-NRFANRHFSA-N 0 0 442.412 5.079 50 0 IKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C(=O)c3ccccc3F)C2)cc1 ZINC000037440578 569196616 /nfs/dbraw/zinc/19/66/16/569196616.db2.gz VOMYAAFQBWKJLE-OAQYLSRUSA-N 0 0 436.914 5.623 50 0 IKAARN O=C(C1CCCC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441178 569196686 /nfs/dbraw/zinc/19/66/86/569196686.db2.gz QISWRKCWBTWDIN-OAQYLSRUSA-N 0 0 431.363 5.705 50 0 IKAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037440823 569196723 /nfs/dbraw/zinc/19/67/23/569196723.db2.gz FDYWBWHLNNEGDF-OAQYLSRUSA-N 0 0 442.412 5.079 50 0 IKAARN O=C(c1cccs1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441170 569196728 /nfs/dbraw/zinc/19/67/28/569196728.db2.gz NWORFBBVGFQSEG-IBGZPJMESA-N 0 0 445.371 5.891 50 0 IKAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441184 569196734 /nfs/dbraw/zinc/19/67/34/569196734.db2.gz BSSYLBPQTGHNDV-FQEVSTJZSA-N 0 0 440.877 5.454 50 0 IKAARN COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037441340 569196762 /nfs/dbraw/zinc/19/67/62/569196762.db2.gz UZAIYAQGEPXRKU-NRFANRHFSA-N 0 0 433.483 5.062 50 0 IKAARN CCNC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037441316 569196764 /nfs/dbraw/zinc/19/67/64/569196764.db2.gz OIXAMPCUSQSENI-INIZCTEOSA-N 0 0 440.758 5.372 50 0 IKAARN O=C(C1CC1)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440916 569196777 /nfs/dbraw/zinc/19/67/77/569196777.db2.gz MMDBOESZUKWAHQ-MRXNPFEDSA-N 0 0 439.289 5.203 50 0 IKAARN O=C(C1CCCC1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037441493 569196843 /nfs/dbraw/zinc/19/68/43/569196843.db2.gz BJTKWHJAHNJYOZ-SFHVURJKSA-N 0 0 431.363 5.705 50 0 IKAARN CC(C)(C)CC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441627 569196867 /nfs/dbraw/zinc/19/68/67/569196867.db2.gz MYVHXXRFDWCUJK-LJQANCHMSA-N 0 0 433.379 5.951 50 0 IKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)c2ccc(F)cc2)c1 ZINC000037441449 569196879 /nfs/dbraw/zinc/19/68/79/569196879.db2.gz DIHCNXPFSLCVIQ-UHFFFAOYSA-N 0 0 433.527 5.083 50 0 IKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2cccc(Cl)c2)C(=O)c2ccccc2F)C1 ZINC000037441399 569196882 /nfs/dbraw/zinc/19/68/82/569196882.db2.gz XXFBMYPFHOOFAH-HXUWFJFHSA-N 0 0 436.914 5.623 50 0 IKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CC(C)C)C1 ZINC000037442371 569197064 /nfs/dbraw/zinc/19/70/64/569197064.db2.gz FOKDVYAMIQJLDS-FQEVSTJZSA-N 0 0 432.486 5.582 50 0 IKAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000037443623 569197162 /nfs/dbraw/zinc/19/71/62/569197162.db2.gz GMEZBUWFUAWPSM-LAKDJGHHSA-N 0 0 447.579 5.211 50 0 IKAARN COc1cc(C)ccc1Oc1cc(C(F)(F)F)nc(SCc2c(F)cccc2F)n1 ZINC000037510081 569197926 /nfs/dbraw/zinc/19/79/26/569197926.db2.gz PARINKIOYJQJBI-UHFFFAOYSA-N 0 0 442.409 6.175 50 0 IKAARN FC(F)(F)c1cccc([C@@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)c1 ZINC000037522454 569198276 /nfs/dbraw/zinc/19/82/76/569198276.db2.gz NHAOZABEMICJRK-OAQYLSRUSA-N 0 0 438.415 6.521 50 0 IKAARN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037522165 569198295 /nfs/dbraw/zinc/19/82/95/569198295.db2.gz UFOZEHUUUNPKON-MRXNPFEDSA-N 0 0 439.342 5.538 50 0 IKAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000037525284 569198970 /nfs/dbraw/zinc/19/89/70/569198970.db2.gz KMBXBQMEQGHUFX-UHFFFAOYSA-N 0 0 448.611 5.190 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2Cc2ccc(F)cc2)s1 ZINC000037526066 569199084 /nfs/dbraw/zinc/19/90/84/569199084.db2.gz KNDUAHGAIDKFJY-UHFFFAOYSA-N 0 0 446.469 6.147 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3ccccc3)n2Cc2ccc(Br)cc2)s1 ZINC000037526234 569199088 /nfs/dbraw/zinc/19/90/88/569199088.db2.gz ZGWRTEHFJUVBHU-UHFFFAOYSA-N 0 0 439.378 5.752 50 0 IKAARN Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2Cc2ccccc2C)s1 ZINC000037526712 569199191 /nfs/dbraw/zinc/19/91/91/569199191.db2.gz MKNWDNPNPQJSSE-UHFFFAOYSA-N 0 0 442.506 6.317 50 0 IKAARN O=C(NCc1ccc(F)cc1)c1cc2sccc2n1Cc1ccc(Br)cc1 ZINC000037526395 569199227 /nfs/dbraw/zinc/19/92/27/569199227.db2.gz VZFQTIHCEVEVKW-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN O=C(NCc1ccccc1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1 ZINC000037542262 569199318 /nfs/dbraw/zinc/19/93/18/569199318.db2.gz LHVQEAXZLFHMHP-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3ccccc3)cc3sc(Br)cc32)c1 ZINC000037542382 569199453 /nfs/dbraw/zinc/19/94/53/569199453.db2.gz GVCVZHAFCYLOSE-UHFFFAOYSA-N 0 0 439.378 5.752 50 0 IKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)OCc4ccccc4)c3)C2=O)cc1 ZINC000037543387 569199531 /nfs/dbraw/zinc/19/95/31/569199531.db2.gz LRDRSDJRPXSKGC-UHFFFAOYSA-N 0 0 429.520 5.576 50 0 IKAARN CC(C)(C)CC(=O)Nc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000037544600 569199626 /nfs/dbraw/zinc/19/96/26/569199626.db2.gz OMRLNCCKPSKWQS-UHFFFAOYSA-N 0 0 447.501 5.912 50 0 IKAARN COc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000037544565 569199639 /nfs/dbraw/zinc/19/96/39/569199639.db2.gz GFTGFHLYZNNZPS-UHFFFAOYSA-N 0 0 449.938 5.433 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)cc1 ZINC000037544578 569199656 /nfs/dbraw/zinc/19/96/56/569199656.db2.gz QVPPLELTVUEEBH-UHFFFAOYSA-N 0 0 435.474 5.358 50 0 IKAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4C)cc3)C2=O)cc1 ZINC000037544074 569199670 /nfs/dbraw/zinc/19/96/70/569199670.db2.gz KRLFIFVNXIZVKG-UHFFFAOYSA-N 0 0 429.520 5.088 50 0 IKAARN COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccccc3)c2Oc2ccc(F)cc2)cc1 ZINC000037546942 569199717 /nfs/dbraw/zinc/19/97/17/569199717.db2.gz WAKHJSAQALTRDJ-UHFFFAOYSA-N 0 0 445.494 5.692 50 0 IKAARN O=C(NCc1ccccc1)c1cc2sc(Br)cc2n1Cc1ccccc1F ZINC000037541941 569199810 /nfs/dbraw/zinc/19/98/10/569199810.db2.gz AKLIYONSLWQUKS-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2C)c1CCC(=O)Nc1ccccc1 ZINC000037547068 569199834 /nfs/dbraw/zinc/19/98/34/569199834.db2.gz DBVLIUHQHUIPHR-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccccc1 ZINC000037546957 569199839 /nfs/dbraw/zinc/19/98/39/569199839.db2.gz BOQCBKSPSRUWFR-UHFFFAOYSA-N 0 0 447.485 5.500 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(C)cc2)c1CCC(=O)Nc1cccc(C)c1 ZINC000037547070 569199879 /nfs/dbraw/zinc/19/98/79/569199879.db2.gz YJCSGBQUFPGVJR-UHFFFAOYSA-N 0 0 439.559 6.470 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2F)c1CCC(=O)Nc1cccc(C)c1 ZINC000037547060 569199907 /nfs/dbraw/zinc/19/99/07/569199907.db2.gz HVSXLKYXWLMVNL-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccccc1F ZINC000037547049 569199910 /nfs/dbraw/zinc/19/99/10/569199910.db2.gz PERZRVFHDJXAOT-UHFFFAOYSA-N 0 0 429.495 5.992 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000037547095 569199999 /nfs/dbraw/zinc/19/99/99/569199999.db2.gz CWGDZOJSXOLKPB-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC(C)C ZINC000037547143 569200003 /nfs/dbraw/zinc/20/00/03/569200003.db2.gz KPWMMZJBYPIDKU-UHFFFAOYSA-N 0 0 431.458 5.095 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037547128 569200014 /nfs/dbraw/zinc/20/00/14/569200014.db2.gz RCQPOQMOWVLAEA-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2F)c1CCC(=O)Nc1ccc(F)cc1 ZINC000037547088 569200016 /nfs/dbraw/zinc/20/00/16/569200016.db2.gz YMVQPEPFRPTVLT-UHFFFAOYSA-N 0 0 447.485 6.131 50 0 IKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)Nc1ccccc1 ZINC000037547168 569200021 /nfs/dbraw/zinc/20/00/21/569200021.db2.gz NHVXCVGHTBBZPY-UHFFFAOYSA-N 0 0 433.458 5.823 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2C)c1CCC(=O)NCc1ccco1 ZINC000037547204 569200026 /nfs/dbraw/zinc/20/00/26/569200026.db2.gz YORBTBLUIKLEGR-UHFFFAOYSA-N 0 0 429.520 5.432 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037547272 569200054 /nfs/dbraw/zinc/20/00/54/569200054.db2.gz ZKXWGCQLNMQLKH-UHFFFAOYSA-N 0 0 443.522 6.300 50 0 IKAARN COc1ccc(NC(=O)[C@H]2CC[C@@H](c3cccc(C)c3)N(C(=O)c3cccc(F)c3)C2)cc1 ZINC000037546563 569200098 /nfs/dbraw/zinc/20/00/98/569200098.db2.gz KWQBQXDWALYIGY-OFVILXPXSA-N 0 0 446.522 5.375 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccccc1 ZINC000037547328 569200114 /nfs/dbraw/zinc/20/01/14/569200114.db2.gz VLKFEFXENXTRMI-UHFFFAOYSA-N 0 0 443.522 5.670 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2cccc(C)c2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000037547245 569200133 /nfs/dbraw/zinc/20/01/33/569200133.db2.gz UQHDOEFSKNSRQY-UHFFFAOYSA-N 0 0 439.559 6.470 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2C)c1CCC(=O)Nc1ccccc1 ZINC000037547332 569200135 /nfs/dbraw/zinc/20/01/35/569200135.db2.gz FSINWAVUESNKGE-UHFFFAOYSA-N 0 0 425.532 6.161 50 0 IKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NCc1ccco1 ZINC000037546799 569200173 /nfs/dbraw/zinc/20/01/73/569200173.db2.gz VMRPYMGXSNBAHC-UHFFFAOYSA-N 0 0 433.483 5.208 50 0 IKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1F ZINC000037546887 569200260 /nfs/dbraw/zinc/20/02/60/569200260.db2.gz BBAQVVFWOAZHER-UHFFFAOYSA-N 0 0 433.458 5.823 50 0 IKAARN COc1cc(COc2ccc(-c3noc(-c4ccccc4C)n3)cc2OC)cc(OC)c1 ZINC000037547521 569200312 /nfs/dbraw/zinc/20/03/12/569200312.db2.gz GSKKNRCUEQYNQM-UHFFFAOYSA-N 0 0 432.476 5.317 50 0 IKAARN COc1cccc(COc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2OC)c1 ZINC000037553771 569200387 /nfs/dbraw/zinc/20/03/87/569200387.db2.gz HUDVIVKXKJAECC-UHFFFAOYSA-N 0 0 448.475 5.017 50 0 IKAARN CC(C)CC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037555106 569200418 /nfs/dbraw/zinc/20/04/18/569200418.db2.gz WBGIIYNDZDBPPK-UHFFFAOYSA-N 0 0 432.539 5.264 50 0 IKAARN c1ccc(CC2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n43)CC2)cc1 ZINC000037554750 569200496 /nfs/dbraw/zinc/20/04/96/569200496.db2.gz MGRBKGDRWZYZBW-UHFFFAOYSA-N 0 0 425.580 5.784 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)NCc1ccc(F)cc1 ZINC000037556321 569200550 /nfs/dbraw/zinc/20/05/50/569200550.db2.gz YEHYXFLFVUWFMW-UHFFFAOYSA-N 0 0 442.490 5.125 50 0 IKAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(CC(=O)Nc2ccccc2)cc1 ZINC000037556192 569200586 /nfs/dbraw/zinc/20/05/86/569200586.db2.gz WNJDHXREFYOBPU-DYTRJAOYSA-N 0 0 446.550 6.114 50 0 IKAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccccc3)cc2)cc1 ZINC000037555326 569200588 /nfs/dbraw/zinc/20/05/88/569200588.db2.gz NTACYXUYTJRDLT-UHFFFAOYSA-N 0 0 448.566 5.701 50 0 IKAARN Cc1cccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(CC(=O)NC(C)C)cc2)c1 ZINC000037555414 569200607 /nfs/dbraw/zinc/20/06/07/569200607.db2.gz HSDRNOYTRCPRCA-SAPNQHFASA-N 0 0 426.560 5.309 50 0 IKAARN CC(C)CC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCc2ccccc2)cc1 ZINC000037556325 569200610 /nfs/dbraw/zinc/20/06/10/569200610.db2.gz MXKKXAGNMSHONQ-UHFFFAOYSA-N 0 0 428.576 5.167 50 0 IKAARN Cc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2)c1 ZINC000037556698 569200700 /nfs/dbraw/zinc/20/07/00/569200700.db2.gz NINITBYFVOAVFD-UHFFFAOYSA-N 0 0 434.539 6.023 50 0 IKAARN CCCN(C)C(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000037558212 569200784 /nfs/dbraw/zinc/20/07/84/569200784.db2.gz KOPLJHYSUJIZPI-UHFFFAOYSA-N 0 0 432.539 5.392 50 0 IKAARN Cc1ccc(C)c([C@@H]2CC(=O)N(Cc3cccc(F)c3F)C(C)=C2C(=O)OCC(C)C)c1 ZINC000037575013 569201333 /nfs/dbraw/zinc/20/13/33/569201333.db2.gz JHHZIGUSCGNSOL-NRFANRHFSA-N 0 0 441.518 5.571 50 0 IKAARN Cc1ccc(C)c([C@H]2CC(=O)N(Cc3cccc(F)c3F)C(C)=C2C(=O)OCC(C)C)c1 ZINC000037575015 569201344 /nfs/dbraw/zinc/20/13/44/569201344.db2.gz JHHZIGUSCGNSOL-OAQYLSRUSA-N 0 0 441.518 5.571 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2Cl)CC(=O)N1Cc1cc(F)cc(F)c1 ZINC000037575648 569201352 /nfs/dbraw/zinc/20/13/52/569201352.db2.gz KXCPABRKHLNTCC-FQEVSTJZSA-N 0 0 447.909 5.608 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000037576356 569201359 /nfs/dbraw/zinc/20/13/59/569201359.db2.gz FNHQGNJRFZZQCR-FQEVSTJZSA-N 0 0 445.481 5.695 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2F)CC(=O)N1Cc1cccc(F)c1F ZINC000037575023 569201366 /nfs/dbraw/zinc/20/13/66/569201366.db2.gz YYKYEDRXUSXNED-GOSISDBHSA-N 0 0 449.444 5.232 50 0 IKAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2Cl)CC(=O)N1Cc1ccccc1F ZINC000037575816 569201516 /nfs/dbraw/zinc/20/15/16/569201516.db2.gz MRONSPAMKHXTKF-IBGZPJMESA-N 0 0 429.919 5.468 50 0 IKAARN Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587939 569202037 /nfs/dbraw/zinc/20/20/37/569202037.db2.gz ALEHOIXFWJICOO-UHFFFAOYSA-N 0 0 434.530 5.893 50 0 IKAARN O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000037587916 569202052 /nfs/dbraw/zinc/20/20/52/569202052.db2.gz JFKIKWHNMLGBAH-UHFFFAOYSA-N 0 0 430.495 5.477 50 0 IKAARN C[C@@H](NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)c1ccccc1 ZINC000037600857 569202260 /nfs/dbraw/zinc/20/22/60/569202260.db2.gz FAYYSUNSCSOTFK-JOCHJYFZSA-N 0 0 440.587 5.830 50 0 IKAARN Cc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000037601126 569202262 /nfs/dbraw/zinc/20/22/62/569202262.db2.gz OZHFUCLOJCJJRY-UHFFFAOYSA-N 0 0 432.539 5.895 50 0 IKAARN Cc1ccc(CN(C(=O)/C=C/c2ccccc2)c2cccc(CC(=O)NCC3CC3)c2)cc1 ZINC000037600976 569202294 /nfs/dbraw/zinc/20/22/94/569202294.db2.gz NVFURTNCAKYHDB-WUKNDPDISA-N 0 0 438.571 5.310 50 0 IKAARN CCC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602816 569202551 /nfs/dbraw/zinc/20/25/51/569202551.db2.gz IBTONRQQRFPISA-HHHXNRCGSA-N 0 0 446.522 5.036 50 0 IKAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)C[C@H]1C ZINC000037623906 569203435 /nfs/dbraw/zinc/20/34/35/569203435.db2.gz BTRKLEXLXXXBIM-MRXNPFEDSA-N 0 0 434.943 5.069 50 0 IKAARN Cc1ccc(NC(=O)c2c(-c3ccccc3)c3c4n2cc(-c2ccccc2)n4CCCC3)cc1 ZINC000002218197 569204021 /nfs/dbraw/zinc/20/40/21/569204021.db2.gz JPKABQZAILCUPU-UHFFFAOYSA-N 0 0 445.566 6.972 50 0 IKAARN Cc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)n2)c1 ZINC000195558274 569204296 /nfs/dbraw/zinc/20/42/96/569204296.db2.gz UTWOLRMSBBQYLE-UHFFFAOYSA-N 0 0 444.491 5.176 50 0 IKAARN CCCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002222436 569204560 /nfs/dbraw/zinc/20/45/60/569204560.db2.gz PLRGUFQCTKZJTG-UHFFFAOYSA-N 0 0 430.617 6.219 50 0 biogenic IKAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C)n1)CC(C)(C)OC3 ZINC000002221243 569204585 /nfs/dbraw/zinc/20/45/85/569204585.db2.gz RYVIIDBILGFFQH-UHFFFAOYSA-N 0 0 445.635 5.304 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)c4ccc(F)cc4)c23)CO1 ZINC000002222460 569204610 /nfs/dbraw/zinc/20/46/10/569204610.db2.gz CTBAONBLGFLLDY-OAQYLSRUSA-N 0 0 448.610 5.769 50 0 IKAARN CC(C)[C@H]1Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 ZINC000002221574 569204615 /nfs/dbraw/zinc/20/46/15/569204615.db2.gz ISOBIOLLZUUAHD-CQSZACIVSA-N 0 0 440.421 5.970 50 0 IKAARN CCc1nc2sc3c(c2c2nnc(SCc4ccccc4Cl)n21)CC(C)(C)OC3 ZINC000002221443 569204618 /nfs/dbraw/zinc/20/46/18/569204618.db2.gz XTBMBQWHFBQWPQ-UHFFFAOYSA-N 0 0 445.013 5.698 50 0 IKAARN CCCCOc1ccc(-c2nc3sc4c(c3c(SCC)n2)CC(C)(C)OC4)cc1 ZINC000002222992 569204717 /nfs/dbraw/zinc/20/47/17/569204717.db2.gz JQGZDLAWMNKDSA-UHFFFAOYSA-N 0 0 428.623 6.501 50 0 IKAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2Cl)cc1 ZINC000002222488 569204757 /nfs/dbraw/zinc/20/47/57/569204757.db2.gz CZOWHXKGFFZPBB-UHFFFAOYSA-N 0 0 449.739 6.360 50 0 IKAARN CCCCc1nc2sc3c(ncnc3SCc3ccccc3Cl)c2c2c1CCC2 ZINC000002229116 569208302 /nfs/dbraw/zinc/20/83/02/569208302.db2.gz UHMNKCXDZWMUQD-UHFFFAOYSA-N 0 0 440.037 7.017 50 0 IKAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1Cl ZINC000252640608 569208724 /nfs/dbraw/zinc/20/87/24/569208724.db2.gz YVLQHNFPJCUFIA-OPBMBUAESA-N 0 0 427.931 5.891 50 0 IKAARN C[C@H](NC(=O)c1nc2n(c1Cl)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2)c1ccccc1 ZINC000252642077 569209465 /nfs/dbraw/zinc/20/94/65/569209465.db2.gz ZJQVENLCEUCAOC-JQFCIGGWSA-N 0 0 448.876 5.688 50 0 IKAARN COc1ccccc1NC(=O)c1cc2ccccc2oc1=Nc1cccc(C(F)(F)F)c1 ZINC000252666058 569209558 /nfs/dbraw/zinc/20/95/58/569209558.db2.gz AJKOVKVSIDIMNH-UHFFFAOYSA-N 0 0 438.405 5.945 50 0 IKAARN Cc1ccc2c(nc3sc(=Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c(=O)n23)c1C ZINC000252666025 569209566 /nfs/dbraw/zinc/20/95/66/569209566.db2.gz AGBMNMJNRNDBIV-UHFFFAOYSA-N 0 0 434.605 5.374 50 0 IKAARN CN(Cc1cccc(-c2ccccc2)c1)C(=O)Oc1cccc(-c2ccc(C(N)=O)cc2)c1 ZINC000198962505 569209592 /nfs/dbraw/zinc/20/95/92/569209592.db2.gz QKMMESWNJMOPIF-UHFFFAOYSA-N 0 0 436.511 5.750 50 0 in-vitro IKAARN CCOc1cc(-c2ccc(OC)cc2)cc(=Nc2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000252668482 569209704 /nfs/dbraw/zinc/20/97/04/569209704.db2.gz FDYFBSVZQGFWNN-UHFFFAOYSA-N 0 0 429.516 6.365 50 0 IKAARN CCOc1ccc2c(c1)-c1c(ssc1=Nc1cc(Cl)ccc1Cl)C(C)(C)N2 ZINC000252667668 569209726 /nfs/dbraw/zinc/20/97/26/569209726.db2.gz DEQAFJGKCQZGOZ-UHFFFAOYSA-N 0 0 437.417 7.075 50 0 IKAARN NC(=O)c1cc2cc(Br)ccc2oc1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252671951 569210055 /nfs/dbraw/zinc/21/00/55/569210055.db2.gz OSJGJLCKVAPQIU-UHFFFAOYSA-N 0 0 435.277 5.319 50 0 IKAARN CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=Nc3ccc(OC)cc3)oc2c1 ZINC000252671866 569210062 /nfs/dbraw/zinc/21/00/62/569210062.db2.gz OMGRDUOZRGKVCE-UHFFFAOYSA-N 0 0 438.531 6.063 50 0 IKAARN COc1cccc2cc(-c3nc4ccccc4[nH]3)c(=Nc3ccc(C(F)(F)F)cc3)oc21 ZINC000252674569 569210139 /nfs/dbraw/zinc/21/01/39/569210139.db2.gz SHURFDSNWJIJCK-UHFFFAOYSA-N 0 0 435.405 6.236 50 0 IKAARN O=C(Nc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=Nc1ccc(F)cc1 ZINC000252673916 569210144 /nfs/dbraw/zinc/21/01/44/569210144.db2.gz RMFGCBQWYJNTHQ-UHFFFAOYSA-N 0 0 427.262 6.363 50 0 IKAARN CCOC(=O)c1ccc(N=c2oc3ccccc3cc2C(=O)Nc2ccccc2OC)cc1 ZINC000252674528 569210170 /nfs/dbraw/zinc/21/01/70/569210170.db2.gz SGMAZDUURFNMBO-UHFFFAOYSA-N 0 0 442.471 5.103 50 0 IKAARN COc1ccc(-c2c(C)sc(=NC(=O)c3ccccc3)n2CCc2ccccc2)cc1 ZINC000252675860 569210253 /nfs/dbraw/zinc/21/02/53/569210253.db2.gz VHUVZJMXMZILSB-UHFFFAOYSA-N 0 0 428.557 5.517 50 0 IKAARN COCCCn1c(-c2ccc(OC)c(Br)c2)csc1=Nc1ccccc1 ZINC000252679202 569210680 /nfs/dbraw/zinc/21/06/80/569210680.db2.gz JJQYJLZWMHHOHI-UHFFFAOYSA-N 0 0 433.371 5.257 50 0 IKAARN CCCCCNC(=O)OC[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000252693197 569210745 /nfs/dbraw/zinc/21/07/45/569210745.db2.gz BTQCHPRUVKAYMZ-VKPAFFLJSA-N 0 0 429.557 5.238 50 0 biogenic IKAARN Cc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4[C@H]3c3cccs3)sc2c1 ZINC000002232277 569210752 /nfs/dbraw/zinc/21/07/52/569210752.db2.gz JNXYDKVZIGYUKJ-HXUWFJFHSA-N 0 0 444.537 5.831 50 0 IKAARN CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 ZINC000002234855 569211952 /nfs/dbraw/zinc/21/19/52/569211952.db2.gz NHDYCZOJNDQFQZ-IBGZPJMESA-N 0 0 440.421 6.114 50 0 IKAARN CCCCCOC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002235314 569212037 /nfs/dbraw/zinc/21/20/37/569212037.db2.gz MIXPMTOIOBUELB-UHFFFAOYSA-N 0 0 442.441 5.522 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2c(C)cccc2C)cc1 ZINC000002235320 569212073 /nfs/dbraw/zinc/21/20/73/569212073.db2.gz ONHMQZOMIDCVBT-UHFFFAOYSA-N 0 0 442.559 5.938 50 0 IKAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000002235502 569212133 /nfs/dbraw/zinc/21/21/33/569212133.db2.gz ZCHKJFFRQYSFHS-UHFFFAOYSA-N 0 0 436.393 5.543 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O ZINC000002236747 569212363 /nfs/dbraw/zinc/21/23/63/569212363.db2.gz VZTNVJFZJGXJGV-JOCHJYFZSA-N 0 0 431.875 5.206 50 0 IKAARN COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4cccc(F)c4)cc2-3)cc1 ZINC000002691331 569212574 /nfs/dbraw/zinc/21/25/74/569212574.db2.gz NBHAAOXFFRNXEL-UHFFFAOYSA-N 0 0 443.478 5.416 50 0 IKAARN COc1ccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 ZINC000002691966 569212593 /nfs/dbraw/zinc/21/25/93/569212593.db2.gz GNMWLTINCAKOOE-UHFFFAOYSA-N 0 0 439.515 5.586 50 0 IKAARN C[C@@H](CNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc21)c1ccccc1 ZINC000002694374 569212616 /nfs/dbraw/zinc/21/26/16/569212616.db2.gz QYMYNPWHRBEMBS-INIZCTEOSA-N 0 0 447.464 6.179 50 0 IKAARN COc1ccc2ncc(C(=O)c3ccc(C)cc3)c(S(=O)(=O)c3ccc(C)c(C)c3)c2c1 ZINC000002713726 569212710 /nfs/dbraw/zinc/21/27/10/569212710.db2.gz OQZQUQPEXOLXFX-UHFFFAOYSA-N 0 0 445.540 5.232 50 0 IKAARN CC1(C)Cc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2C(=O)C1 ZINC000002699325 569212725 /nfs/dbraw/zinc/21/27/25/569212725.db2.gz AJBVBTFKXJVQTJ-UHFFFAOYSA-N 0 0 433.558 5.827 50 0 IKAARN Brc1cccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)c1 ZINC000002705838 569212732 /nfs/dbraw/zinc/21/27/32/569212732.db2.gz GLZPAOQMDDCTEH-UHFFFAOYSA-N 0 0 430.309 5.319 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002724594 569212758 /nfs/dbraw/zinc/21/27/58/569212758.db2.gz HALCFPLBSPFNGB-OAQYLSRUSA-N 0 0 429.278 5.316 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724596 569212763 /nfs/dbraw/zinc/21/27/63/569212763.db2.gz KOEPJWFYTXZBPY-NRFANRHFSA-N 0 0 447.268 5.456 50 0 IKAARN O=C(c1c(F)cccc1Cl)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724595 569212777 /nfs/dbraw/zinc/21/27/77/569212777.db2.gz KOEPJWFYTXZBPY-OAQYLSRUSA-N 0 0 447.268 5.456 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cc(Cl)ccc1Cl ZINC000002926528 569212876 /nfs/dbraw/zinc/21/28/76/569212876.db2.gz YNAGSBXUMCEZOS-UHFFFAOYSA-N 0 0 435.669 6.846 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3N2)cc1 ZINC000003011330 569213138 /nfs/dbraw/zinc/21/31/38/569213138.db2.gz HSTFIOVPTPGTFY-PKOBYXMFSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3N2)cc1 ZINC000003011327 569213181 /nfs/dbraw/zinc/21/31/81/569213181.db2.gz HSTFIOVPTPGTFY-HKUYNNGSSA-N 0 0 448.876 6.066 50 0 IKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000003230608 569213260 /nfs/dbraw/zinc/21/32/60/569213260.db2.gz KCXNEQDYYZOSCD-UHFFFAOYSA-N 0 0 428.557 7.152 50 0 IKAARN O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCc2ccccc21 ZINC000003581830 569213283 /nfs/dbraw/zinc/21/32/83/569213283.db2.gz XIKMQQXXWVYRRW-UHFFFAOYSA-N 0 0 432.976 6.024 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1cn(CC)c3ccccc13)CCC2 ZINC000003581922 569213295 /nfs/dbraw/zinc/21/32/95/569213295.db2.gz RUWNTUHMTUNGIN-AWEZNQCLSA-N 0 0 442.606 5.507 50 0 IKAARN Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Br)cc3)cc2O)n1 ZINC000002241095 569213628 /nfs/dbraw/zinc/21/36/28/569213628.db2.gz HDXFCSVJARYPAQ-UHFFFAOYSA-N 0 0 448.320 5.440 50 0 IKAARN CC(C)CCOC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002251081 569213967 /nfs/dbraw/zinc/21/39/67/569213967.db2.gz CWWHYAKADQEQLM-UHFFFAOYSA-N 0 0 443.334 5.666 50 0 IKAARN COc1cccc2cc(C(=O)Nc3ccccc3)/c(=N/c3cccc(C(F)(F)F)c3)oc21 ZINC000027474847 569214080 /nfs/dbraw/zinc/21/40/80/569214080.db2.gz SJXDXCJUVFLNEB-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000002251798 569214102 /nfs/dbraw/zinc/21/41/02/569214102.db2.gz PLRPYOYQYJRQAL-YADHBBJMSA-N 0 0 432.936 5.514 50 0 IKAARN O=C(Nc1ccccc1)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 ZINC000027474877 569214162 /nfs/dbraw/zinc/21/41/62/569214162.db2.gz QDCKZPZQCQQHJR-ROMGYVFFSA-N 0 0 437.268 5.819 50 0 IKAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000002245387 569214257 /nfs/dbraw/zinc/21/42/57/569214257.db2.gz DPTMDAQMOAWFMQ-ZUKKLESISA-N 0 0 448.547 6.816 50 0 IKAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000002245746 569214352 /nfs/dbraw/zinc/21/43/52/569214352.db2.gz WIEWPIZHYXQDRK-OAQYLSRUSA-N 0 0 444.556 5.914 50 0 IKAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 ZINC000002246988 569214461 /nfs/dbraw/zinc/21/44/61/569214461.db2.gz YZYAJPMALXOVAO-UHFFFAOYSA-N 0 0 440.334 5.135 50 0 IKAARN Cc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1Cl ZINC000002246876 569214531 /nfs/dbraw/zinc/21/45/31/569214531.db2.gz RLJVVGPEBFDJFJ-UHFFFAOYSA-N 0 0 426.951 6.895 50 0 IKAARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=N2)c2ccccc2O[C@H]1c1ccc(C)cc1 ZINC000002247812 569214614 /nfs/dbraw/zinc/21/46/14/569214614.db2.gz MJSKBPDWCJQFAD-VXKWHMMOSA-N 0 0 444.585 5.930 50 0 IKAARN CC(C)c1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 ZINC000002247226 569214620 /nfs/dbraw/zinc/21/46/20/569214620.db2.gz RRPICNQPMVLSHA-UHFFFAOYSA-N 0 0 443.348 6.522 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3N2)cc1 ZINC000002248301 569214682 /nfs/dbraw/zinc/21/46/82/569214682.db2.gz IFCHWHTZJQKMSQ-GOEBONIOSA-N 0 0 435.837 5.153 50 0 IKAARN COc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000002249140 569214756 /nfs/dbraw/zinc/21/47/56/569214756.db2.gz IIGQRHGMKPKIEP-YADHBBJMSA-N 0 0 448.935 5.214 50 0 IKAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1cc(Cl)cc(Cl)c1 ZINC000002252738 569214766 /nfs/dbraw/zinc/21/47/66/569214766.db2.gz VPHOTCAFKCIOBZ-UHFFFAOYSA-N 0 0 440.334 5.135 50 0 IKAARN C[C@@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O ZINC000002249537 569214814 /nfs/dbraw/zinc/21/48/14/569214814.db2.gz JCYWTLINEZPBDK-UWJYYQICSA-N 0 0 438.365 5.424 50 0 IKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000002249915 569214881 /nfs/dbraw/zinc/21/48/81/569214881.db2.gz UBMYRRKXYDQPOJ-UHFFFAOYSA-N 0 0 449.890 5.977 50 0 IKAARN CCCCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 ZINC000002253115 569215021 /nfs/dbraw/zinc/21/50/21/569215021.db2.gz ALXJMHMZERSIRG-UHFFFAOYSA-N 0 0 434.605 6.202 50 0 IKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@@H](/C=C/c2ccccc2)C1 ZINC000027469065 569215299 /nfs/dbraw/zinc/21/52/99/569215299.db2.gz JECFLWYVNMSGND-RPAADVPWSA-N 0 0 425.919 5.628 50 0 IKAARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=N2)c2ccccc2O[C@@H]1c1ccccc1 ZINC000002257988 569215316 /nfs/dbraw/zinc/21/53/16/569215316.db2.gz SPDSPJFXXCHCNO-NHCUHLMSSA-N 0 0 430.558 5.621 50 0 IKAARN C(=C/c1ccc2ccccc2c1)\c1ccc(-c2ncc(-c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000027469448 569215334 /nfs/dbraw/zinc/21/53/34/569215334.db2.gz GJVFJMKZRLAVOY-ZHACJKMWSA-N 0 0 449.553 8.999 50 0 IKAARN Cc1ccc(-c2nn(CCC(=O)Nc3ccc4ccccc4c3)c(=O)c3ccccc32)cc1 ZINC000002259293 569215474 /nfs/dbraw/zinc/21/54/74/569215474.db2.gz NFVIANCMAGSRRQ-UHFFFAOYSA-N 0 0 433.511 5.554 50 0 IKAARN Cc1ccc(-n2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 ZINC000002258218 569215492 /nfs/dbraw/zinc/21/54/92/569215492.db2.gz HWUMIUITBFNNCA-UHFFFAOYSA-N 0 0 427.895 5.370 50 0 IKAARN Cc1ccc(-c2nn(CCC(=O)Nc3cccc4ccccc43)c(=O)c3ccccc32)cc1 ZINC000002258506 569215503 /nfs/dbraw/zinc/21/55/03/569215503.db2.gz UQCIHCFCLDYQFB-UHFFFAOYSA-N 0 0 433.511 5.554 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000027496139 569215667 /nfs/dbraw/zinc/21/56/67/569215667.db2.gz YFOREWSEMUGPAT-UHFFFAOYSA-N 0 0 427.887 6.616 50 0 IKAARN Cc1ccc(NC(=O)CCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c(C)c1 ZINC000002260926 569215690 /nfs/dbraw/zinc/21/56/90/569215690.db2.gz NDBUIOLPIJOFHY-UHFFFAOYSA-N 0 0 431.923 5.363 50 0 IKAARN CCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000002263400 569215910 /nfs/dbraw/zinc/21/59/10/569215910.db2.gz JTCQHBAZHORCTE-ZHRRBRCNSA-N 0 0 437.565 5.304 50 0 IKAARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000002263399 569215972 /nfs/dbraw/zinc/21/59/72/569215972.db2.gz JTCQHBAZHORCTE-KSFYIVLOSA-N 0 0 437.565 5.304 50 0 IKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](O)c1ccc(Br)cc1 ZINC000002263893 569216029 /nfs/dbraw/zinc/21/60/29/569216029.db2.gz UPDMPZKNWAEBMD-IBGZPJMESA-N 0 0 431.307 6.332 50 0 IKAARN CC[C@@H](C)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002264516 569216088 /nfs/dbraw/zinc/21/60/88/569216088.db2.gz OTQGBZYROSCPJS-QGZVFWFLSA-N 0 0 429.568 5.445 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccccc2C)cc1 ZINC000002265073 569216136 /nfs/dbraw/zinc/21/61/36/569216136.db2.gz CFRNPRRHROVHSV-UHFFFAOYSA-N 0 0 442.559 6.020 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1OCc1ccccc1Cl ZINC000002264754 569216154 /nfs/dbraw/zinc/21/61/54/569216154.db2.gz LHKXASYCKCGUHK-UHFFFAOYSA-N 0 0 443.355 5.624 50 0 IKAARN Cc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc2)c(O)c1C ZINC000002264897 569216205 /nfs/dbraw/zinc/21/62/05/569216205.db2.gz ODFXTFLPDRHAHD-SANMLTNESA-N 0 0 427.588 6.159 50 0 IKAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002266209 569216252 /nfs/dbraw/zinc/21/62/52/569216252.db2.gz AXLLTBXQVGEVNY-UHFFFAOYSA-N 0 0 431.858 5.201 50 0 IKAARN COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 ZINC000002267046 569216276 /nfs/dbraw/zinc/21/62/76/569216276.db2.gz BPDQNQNFIVURRN-UHFFFAOYSA-N 0 0 434.586 5.627 50 0 IKAARN Clc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c(Cl)c1 ZINC000002266522 569216301 /nfs/dbraw/zinc/21/63/01/569216301.db2.gz SAZXSZOGHBZVNJ-UHFFFAOYSA-N 0 0 435.141 7.654 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(Oc3ccc(-c4ccccc4)cc3)n2)c(Cl)c1 ZINC000002267619 569216358 /nfs/dbraw/zinc/21/63/58/569216358.db2.gz OFRSJEZKZFXLEZ-UHFFFAOYSA-N 0 0 443.333 8.063 50 0 IKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000027499889 569216500 /nfs/dbraw/zinc/21/65/00/569216500.db2.gz MONSFRMGHPZGII-UHFFFAOYSA-N 0 0 428.875 6.562 50 0 IKAARN CCOc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000027499882 569216524 /nfs/dbraw/zinc/21/65/24/569216524.db2.gz AMDSFJRFXDKOCY-UHFFFAOYSA-N 0 0 427.287 6.453 50 0 IKAARN CSC1=NC2=NC3=C([C@H](c4ccccc4)Oc4ccccc43)[C@H](c3ccc(C)cc3)N2N1 ZINC000002253432 569216604 /nfs/dbraw/zinc/21/66/04/569216604.db2.gz ZCKRVNLUKYRHRJ-ZEQRLZLVSA-N 0 0 438.556 5.490 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002254024 569216681 /nfs/dbraw/zinc/21/66/81/569216681.db2.gz QPEYPTRPRMVWMZ-GOTSBHOMSA-N 0 0 448.860 5.422 50 0 IKAARN O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1C1CCCCC1)CCCC3 ZINC000002254604 569216699 /nfs/dbraw/zinc/21/66/99/569216699.db2.gz GOZTWEDYRNHZAO-UHFFFAOYSA-N 0 0 440.634 6.013 50 0 IKAARN CC(C)(C)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)C[C@H](C(C)(C)C)CC3 ZINC000002254486 569216719 /nfs/dbraw/zinc/21/67/19/569216719.db2.gz FBAQELBGUFAJHW-CYBMUJFWSA-N 0 0 426.651 6.987 50 0 IKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002254026 569216726 /nfs/dbraw/zinc/21/67/26/569216726.db2.gz QPEYPTRPRMVWMZ-XZOQPEGZSA-N 0 0 448.860 5.422 50 0 IKAARN Cc1ccc(NC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002254154 569216729 /nfs/dbraw/zinc/21/67/29/569216729.db2.gz WHANNLDIMABZAU-UHFFFAOYSA-N 0 0 435.531 5.279 50 0 IKAARN COc1ccc(CCn2c3nc4ccccc4nc3nc2-c2cccc(Cl)c2)cc1OC ZINC000002255155 569216741 /nfs/dbraw/zinc/21/67/41/569216741.db2.gz CAHLMANIXNQUFU-UHFFFAOYSA-N 0 0 444.922 5.560 50 0 IKAARN Cc1ccc(CNC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 ZINC000002256422 569216850 /nfs/dbraw/zinc/21/68/50/569216850.db2.gz MKSWMGUHNHCBKI-UHFFFAOYSA-N 0 0 441.922 5.048 50 0 IKAARN Cc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000002256249 569216872 /nfs/dbraw/zinc/21/68/72/569216872.db2.gz VRKMJBZOEIIDHI-RPWUZVMVSA-N 0 0 426.907 5.453 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002256139 569216950 /nfs/dbraw/zinc/21/69/50/569216950.db2.gz LVQQGWHHVQFJNP-DHIUTWEWSA-N 0 0 430.870 5.283 50 0 IKAARN CCn1c(=O)c2c(nc1SCc1cccc(C)c1)-c1ccccc1CC21CCCCC1 ZINC000002255956 569216956 /nfs/dbraw/zinc/21/69/56/569216956.db2.gz IYXRNARZRHDQQT-UHFFFAOYSA-N 0 0 430.617 6.289 50 0 IKAARN CC(C)CCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 ZINC000002256506 569216984 /nfs/dbraw/zinc/21/69/84/569216984.db2.gz RRWQAXSOVHHSDZ-UHFFFAOYSA-N 0 0 438.575 6.251 50 0 IKAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000002256753 569217022 /nfs/dbraw/zinc/21/70/22/569217022.db2.gz JBCNQJBVXCKBEL-UHFFFAOYSA-N 0 0 433.943 5.255 50 0 IKAARN Cc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000009847517 569217035 /nfs/dbraw/zinc/21/70/35/569217035.db2.gz UKIDUMUENSSLAH-UHFFFAOYSA-N 0 0 429.541 5.532 50 0 IKAARN CCC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc21 ZINC000009941224 569217146 /nfs/dbraw/zinc/21/71/46/569217146.db2.gz MYJNKKFLNDFKBV-UHFFFAOYSA-N 0 0 432.476 5.431 50 0 IKAARN CCc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)cc3)no1)cn2Cc1ccc(C)cc1 ZINC000009941312 569217161 /nfs/dbraw/zinc/21/71/61/569217161.db2.gz RNJMEBFGUZTMFS-UHFFFAOYSA-N 0 0 435.527 5.946 50 0 IKAARN Clc1ccc(-c2nc3ccccc3c(Nc3cc(Cl)cc(Cl)c3)n2)c(Cl)c1 ZINC000002270021 569217297 /nfs/dbraw/zinc/21/72/97/569217297.db2.gz HNHZALGZAWNORN-UHFFFAOYSA-N 0 0 435.141 7.654 50 0 IKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000002272116 569217668 /nfs/dbraw/zinc/21/76/68/569217668.db2.gz KNRYXYGFXFAXBV-SFHVURJKSA-N 0 0 428.263 5.835 50 0 IKAARN CCN(CC)C(=S)S[C@H](OC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000002274469 569217776 /nfs/dbraw/zinc/21/77/76/569217776.db2.gz GSNIFNNLHKCYCK-SFHVURJKSA-N 0 0 428.406 6.209 50 0 IKAARN CC(C)(C)NC(=O)CN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000002273596 569217801 /nfs/dbraw/zinc/21/78/01/569217801.db2.gz WUEGPUQZTRXHGZ-NDEPHWFRSA-N 0 0 426.560 5.654 50 0 IKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1cccc(C)c1 ZINC000002276913 569217909 /nfs/dbraw/zinc/21/79/09/569217909.db2.gz SPBRVFLGGLZJEE-UHFFFAOYSA-N 0 0 441.552 6.820 50 0 IKAARN CCOc1cccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc21 ZINC000002275369 569217912 /nfs/dbraw/zinc/21/79/12/569217912.db2.gz ONUONKRWRKGPJS-UHFFFAOYSA-N 0 0 428.307 5.745 50 0 IKAARN O=Cc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000002278958 569217977 /nfs/dbraw/zinc/21/79/77/569217977.db2.gz IRRJOOGWWLFHAP-UHFFFAOYSA-N 0 0 432.273 5.696 50 0 IKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1cccc2ccccc21 ZINC000027519566 569218122 /nfs/dbraw/zinc/21/81/22/569218122.db2.gz HKQJSHQNBHCOCV-UHFFFAOYSA-N 0 0 433.294 7.207 50 0 IKAARN COc1ccc2o/c(=N\c3ccc(-c4ccccc4)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000027519857 569218217 /nfs/dbraw/zinc/21/82/17/569218217.db2.gz XGFHMQPKZRAKNE-FLWNBWAVSA-N 0 0 443.506 6.884 50 0 IKAARN COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000027519848 569218248 /nfs/dbraw/zinc/21/82/48/569218248.db2.gz MLSZLWAPOVKAGM-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN CC(C)Oc1cc2oc(C(F)(F)F)c(-c3ccc4c(c3)OCCO4)c(=O)c2cc1C(C)C ZINC000027519795 569218253 /nfs/dbraw/zinc/21/82/53/569218253.db2.gz LPHLRWKOACQAFG-UHFFFAOYSA-N 0 0 448.437 6.161 50 0 biogenic IKAARN Cc1cc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)ccc1Br ZINC000027521109 569218294 /nfs/dbraw/zinc/21/82/94/569218294.db2.gz AXJOQEATMRFVRS-INIZCTEOSA-N 0 0 427.161 5.299 50 0 IKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)nc2c1 ZINC000027521221 569218491 /nfs/dbraw/zinc/21/84/91/569218491.db2.gz HBOIIEGUNLOXQW-INIZCTEOSA-N 0 0 430.504 6.278 50 0 IKAARN Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c1 ZINC000034257313 569247188 /nfs/dbraw/zinc/24/71/88/569247188.db2.gz ZWZXDJMNYGRYNP-UHFFFAOYSA-N 0 0 440.590 9.243 50 0 IKAARN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O ZINC000002121534 569256537 /nfs/dbraw/zinc/25/65/37/569256537.db2.gz FIBOGANLBISBKQ-ODLFYWEKSA-N 0 0 445.382 5.987 50 0 IKAARN COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(OC)cc2)cc1 ZINC000019861582 569256849 /nfs/dbraw/zinc/25/68/49/569256849.db2.gz AKNZBCFVEYBWJF-UHFFFAOYSA-N 0 0 443.532 5.120 50 0 IKAARN COc1ccc(C(=O)c2oc3ccc(Cl)cc3c2-c2cnn(-c3ccccc3)c2)cc1 ZINC000019863120 569257021 /nfs/dbraw/zinc/25/70/21/569257021.db2.gz OXBJLLPAPARLDE-UHFFFAOYSA-N 0 0 428.875 6.179 50 0 IKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000019863125 569257027 /nfs/dbraw/zinc/25/70/27/569257027.db2.gz HZHABOLOSDNUSE-UHFFFAOYSA-N 0 0 426.903 6.375 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)N(C)C(=O)CO4)c2)cc1 ZINC000019862803 569257035 /nfs/dbraw/zinc/25/70/35/569257035.db2.gz ZWBHWJLDRCYVLU-UHFFFAOYSA-N 0 0 436.511 5.755 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)N(C)C(=O)CO4)c2)cc1 ZINC000019862864 569257047 /nfs/dbraw/zinc/25/70/47/569257047.db2.gz YBUGRCDEEVSIGM-UHFFFAOYSA-N 0 0 440.474 5.586 50 0 IKAARN Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)cc1 ZINC000019898030 569257119 /nfs/dbraw/zinc/25/71/19/569257119.db2.gz YCUQJJWNEVWDJA-NRFANRHFSA-N 0 0 428.782 7.460 50 0 IKAARN Cc1ccc2c(c1)-c1ncc(-c3c4ccccc4oc3[C@H](O)c3ccc(F)cc3)cc1CO2 ZINC000019898069 569257128 /nfs/dbraw/zinc/25/71/28/569257128.db2.gz CUMXGQOTFHJMNT-HHHXNRCGSA-N 0 0 437.470 6.583 50 0 IKAARN COc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccc(C)cc3)C1[C@H](c1ccc(C)cc1)O2 ZINC000019925974 569257187 /nfs/dbraw/zinc/25/71/87/569257187.db2.gz NSBGTHLLEVIRSY-FTJBHMTQSA-N 0 0 436.515 5.463 50 0 IKAARN CC(C)C[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019926456 569257221 /nfs/dbraw/zinc/25/72/21/569257221.db2.gz HJGCGEGKKPEZRX-LADGPHEKSA-N 0 0 435.365 6.518 50 0 IKAARN Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)s4)=NN32)cc1 ZINC000019928256 569257240 /nfs/dbraw/zinc/25/72/40/569257240.db2.gz GIMHENDILXJDGZ-OXJNMPFZSA-N 0 0 429.314 5.892 50 0 IKAARN CC(C)C[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019926458 569257273 /nfs/dbraw/zinc/25/72/73/569257273.db2.gz HJGCGEGKKPEZRX-VWNXMTODSA-N 0 0 435.365 6.518 50 0 IKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)s4)=NN32)cc1 ZINC000019928253 569257280 /nfs/dbraw/zinc/25/72/80/569257280.db2.gz GIMHENDILXJDGZ-JXFKEZNVSA-N 0 0 429.314 5.892 50 0 IKAARN CCc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000025582089 569257384 /nfs/dbraw/zinc/25/73/84/569257384.db2.gz RDFUGQISSOZDLX-UPVQGACJSA-N 0 0 439.397 6.461 50 0 IKAARN COc1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc2c1OCO2 ZINC000035324158 569257629 /nfs/dbraw/zinc/25/76/29/569257629.db2.gz FBJLPYMCBZFUML-NBKJTZPISA-N 0 0 436.592 6.419 50 0 IKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)/C=C/CC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000033949677 569257656 /nfs/dbraw/zinc/25/76/56/569257656.db2.gz CJUZRVVXJPNXNH-DUXVYUJLSA-N 0 0 426.685 7.736 50 0 IKAARN 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]3[C@H](O)C[C@H]2C1 ZINC000036371548 569257766 /nfs/dbraw/zinc/25/77/66/569257766.db2.gz KDJPNDQOTCHXMI-YDAOJIBBSA-N 0 0 446.716 7.010 50 0 IKAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000036371493 569257780 /nfs/dbraw/zinc/25/77/80/569257780.db2.gz VNJBUCCXHRSVLO-UPCYDRNISA-N 0 0 428.701 8.104 50 0 IKAARN COC(=O)c1ccc2c(nc(NCc3ccccc3Cl)n2[C@@H]2CCc3ccccc32)n1 ZINC000095642836 569258568 /nfs/dbraw/zinc/25/85/68/569258568.db2.gz KFEXPWDMDDVECG-HXUWFJFHSA-N 0 0 432.911 5.019 50 0 IKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1ccc(Br)cc1)O2 ZINC000100708553 569258717 /nfs/dbraw/zinc/25/87/17/569258717.db2.gz DDXKFBPRSRVTLC-PXNSSMCTSA-N 0 0 429.701 5.938 50 0 IKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H]1[C@H]([Si](C)(C)C)C1(c1ccccc1)c1ccccc1 ZINC000169828964 569258915 /nfs/dbraw/zinc/25/89/15/569258915.db2.gz UYFKPUBFKFZHOF-FFXRMZKPSA-N 0 0 448.723 7.315 50 0 IKAARN COC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000146500195 569258917 /nfs/dbraw/zinc/25/89/17/569258917.db2.gz ZCEHBGAIXDOZTE-UHFFFAOYSA-N 0 0 438.367 6.774 50 0 IKAARN Cc1cc(OCC(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)ccc1Cl ZINC000027522733 569262582 /nfs/dbraw/zinc/26/25/82/569262582.db2.gz JGXMBKAENCMKAP-UHFFFAOYSA-N 0 0 444.918 6.071 50 0 IKAARN CN1c2ccc(S(=O)(=O)Oc3ccc4oc5ccccc5c4c3)c3cccc(c23)C1=O ZINC000011851912 569262963 /nfs/dbraw/zinc/26/29/63/569262963.db2.gz OIWNYBZYGAEJKA-UHFFFAOYSA-N 0 0 429.453 5.097 50 0 IKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)C)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000256547574 569262978 /nfs/dbraw/zinc/26/29/78/569262978.db2.gz CZSGREWSSMQULY-JPEARLLBSA-N 0 0 428.745 8.821 50 0 IKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000257347594 569263050 /nfs/dbraw/zinc/26/30/50/569263050.db2.gz MBZYKEVPFYHDOH-DTFRCBGMSA-N 0 0 428.745 8.559 50 0 IKAARN CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000002281137 569263081 /nfs/dbraw/zinc/26/30/81/569263081.db2.gz JEZAICDEGDTYOG-HYARGMPZSA-N 0 0 436.964 5.780 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000027527508 569263158 /nfs/dbraw/zinc/26/31/58/569263158.db2.gz XLHBSDWZFQWEFW-UHFFFAOYSA-N 0 0 431.923 5.398 50 0 IKAARN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccccc1 ZINC000027527578 569263364 /nfs/dbraw/zinc/26/33/64/569263364.db2.gz HPPZMIDITUTGMY-DHDCSXOGSA-N 0 0 436.352 5.366 50 0 IKAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3O)nc2c1 ZINC000027527745 569263463 /nfs/dbraw/zinc/26/34/63/569263463.db2.gz NZIQXOIEQSHPSC-UHFFFAOYSA-N 0 0 430.504 5.824 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC4CCCC4)c(Cl)c3N2)cc1 ZINC000027527856 569263473 /nfs/dbraw/zinc/26/34/73/569263473.db2.gz MLMZIBXVGVSKPU-LSDHHAIUSA-N 0 0 426.870 5.178 50 0 IKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000002285079 569263825 /nfs/dbraw/zinc/26/38/25/569263825.db2.gz YWSGTDSNFIDLNJ-GOSISDBHSA-N 0 0 428.623 5.827 50 0 IKAARN COC(=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257355283 569263838 /nfs/dbraw/zinc/26/38/38/569263838.db2.gz AAYJGOKQTHXQBJ-DTTFFLKGSA-N 0 0 428.701 7.817 50 0 IKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000257356822 569263850 /nfs/dbraw/zinc/26/38/50/569263850.db2.gz KNHGHMDIHVHLKX-WGXUMRMBSA-N 0 0 446.628 5.345 50 0 IKAARN COC(=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000257355285 569263863 /nfs/dbraw/zinc/26/38/63/569263863.db2.gz AAYJGOKQTHXQBJ-VKEVKDCXSA-N 0 0 428.701 7.817 50 0 IKAARN O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1cccc(Oc2ccccc2)c1 ZINC000027531296 569266021 /nfs/dbraw/zinc/26/60/21/569266021.db2.gz OSQAXBWRGBWNTA-UHFFFAOYSA-N 0 0 437.474 5.739 50 0 IKAARN COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000027531992 569266397 /nfs/dbraw/zinc/26/63/97/569266397.db2.gz CMMSRPMVDOLPHZ-UHFFFAOYSA-N 0 0 426.428 5.692 50 0 IKAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1 ZINC000253418130 569266499 /nfs/dbraw/zinc/26/64/99/569266499.db2.gz JVTVKULBDJEZDP-QGZVFWFLSA-N 0 0 445.494 5.052 50 0 IKAARN CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000027533448 569266975 /nfs/dbraw/zinc/26/69/75/569266975.db2.gz NHROFOSBZVLXJA-UHFFFAOYSA-N 0 0 441.314 6.843 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1S(=O)(=O)c1ccccc1C ZINC000253426716 569267337 /nfs/dbraw/zinc/26/73/37/569267337.db2.gz IILRWZVDJABZPJ-OAQYLSRUSA-N 0 0 440.952 5.197 50 0 IKAARN C[C@](O)(c1nc(-c2ccc(Oc3ccccc3)nc2)no1)c1cccc(C(F)(F)F)c1 ZINC000253427692 569267482 /nfs/dbraw/zinc/26/74/82/569267482.db2.gz ALLWSKQCUUTKMD-OAQYLSRUSA-N 0 0 427.382 5.199 50 0 IKAARN CCCCCOc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1 ZINC000002290284 569267783 /nfs/dbraw/zinc/26/77/83/569267783.db2.gz MASQZZJGIZOCQF-UHFFFAOYSA-N 0 0 447.418 7.212 50 0 IKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3cc(Cl)cc(Cl)c3)sc1C(C)(C)N2 ZINC000002291852 569267993 /nfs/dbraw/zinc/26/79/93/569267993.db2.gz WCBSBTKJJDBHIU-UHFFFAOYSA-N 0 0 437.417 7.301 50 0 IKAARN Nc1c(C(=O)Nc2cccc3ccccc32)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002292203 569268024 /nfs/dbraw/zinc/26/80/24/569268024.db2.gz VKMYZQXGUJMCAZ-UHFFFAOYSA-N 0 0 429.483 5.561 50 0 IKAARN Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCc3ccco3)ccc21 ZINC000002292016 569268025 /nfs/dbraw/zinc/26/80/25/569268025.db2.gz SDELJLZPYLIHFN-ULJHMMPZSA-N 0 0 449.510 5.012 50 0 IKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O ZINC000002296040 569268036 /nfs/dbraw/zinc/26/80/36/569268036.db2.gz SRUAMLVYHGPXKN-UHFFFAOYSA-N 0 0 428.528 6.639 50 0 IKAARN CCCCN(CC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002293803 569268117 /nfs/dbraw/zinc/26/81/17/569268117.db2.gz WNTBYVSLSYQARY-UHFFFAOYSA-N 0 0 426.630 5.916 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295413 569268133 /nfs/dbraw/zinc/26/81/33/569268133.db2.gz COWRHCITWFKULA-UHFFFAOYSA-N 0 0 444.644 6.858 50 0 IKAARN C[C@@H]1CCCc2sc3nc(SCCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 ZINC000002293645 569268145 /nfs/dbraw/zinc/26/81/45/569268145.db2.gz HKVONZJQCHGVRA-QGZVFWFLSA-N 0 0 432.614 6.222 50 0 IKAARN COc1cccc(-n2c(=O)c3c(nc2SC(C)C)-c2ccccc2CC32CCCCC2)c1 ZINC000002296911 569268234 /nfs/dbraw/zinc/26/82/34/569268234.db2.gz DIGXEAVRANMWCI-UHFFFAOYSA-N 0 0 446.616 6.167 50 0 biogenic IKAARN CC(C)Cc1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002296377 569268248 /nfs/dbraw/zinc/26/82/48/569268248.db2.gz CTEUEOYWYFVXRU-UHFFFAOYSA-N 0 0 446.620 5.944 50 0 IKAARN CCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002296943 569268294 /nfs/dbraw/zinc/26/82/94/569268294.db2.gz NODVRVULYHUWEL-UHFFFAOYSA-N 0 0 430.617 6.468 50 0 biogenic IKAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(C(F)(F)F)c1 ZINC000002298551 569268413 /nfs/dbraw/zinc/26/84/13/569268413.db2.gz KWIJVQVDVZDHMV-UHFFFAOYSA-N 0 0 447.420 5.427 50 0 IKAARN CCCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002296150 569268508 /nfs/dbraw/zinc/26/85/08/569268508.db2.gz GGAKEWZPXGSWTI-UHFFFAOYSA-N 0 0 444.644 6.858 50 0 biogenic IKAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000239235612 569268647 /nfs/dbraw/zinc/26/86/47/569268647.db2.gz WHUDWKMLMXDFHW-HZPDHXFCSA-N 0 0 443.588 5.077 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000239310493 569268772 /nfs/dbraw/zinc/26/87/72/569268772.db2.gz IMLSMVPEHSIEGN-GGAORHGYSA-N 0 0 441.369 5.908 50 0 IKAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000239274927 569268780 /nfs/dbraw/zinc/26/87/80/569268780.db2.gz AYMQJCUBXGBAEU-NJDAHSKKSA-N 0 0 439.298 5.045 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000239347324 569268874 /nfs/dbraw/zinc/26/88/74/569268874.db2.gz MSPMMWWNSXFDOF-GGAORHGYSA-N 0 0 435.321 5.700 50 0 IKAARN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000241401083 569268981 /nfs/dbraw/zinc/26/89/81/569268981.db2.gz NBAFJOBNCOROPQ-OLUCIUBSSA-N 0 0 433.807 5.237 50 0 IKAARN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000241401081 569269054 /nfs/dbraw/zinc/26/90/54/569269054.db2.gz NBAFJOBNCOROPQ-GLFJAGTFSA-N 0 0 433.807 5.237 50 0 IKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(Br)cc2)cc1 ZINC000239439298 569269088 /nfs/dbraw/zinc/26/90/88/569269088.db2.gz ZSHJBMJNDPORCZ-URXFXBBRSA-N 0 0 447.332 5.510 50 0 IKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2F)n1-c1ccccc1 ZINC000245173960 569269428 /nfs/dbraw/zinc/26/94/28/569269428.db2.gz YDZIOTREWHTGHZ-UHFFFAOYSA-N 0 0 427.504 5.812 50 0 IKAARN CC(C)[C@@H](O)[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000244983840 569269442 /nfs/dbraw/zinc/26/94/42/569269442.db2.gz ITBZCTBEJMCLOU-QPQOHPHJSA-N 0 0 430.610 7.109 50 0 IKAARN CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 ZINC000245189217 569269447 /nfs/dbraw/zinc/26/94/47/569269447.db2.gz BJNNOFQXTSZGIC-RQNOJGIXSA-N 0 0 436.636 8.329 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)cc1 ZINC000245238702 569269531 /nfs/dbraw/zinc/26/95/31/569269531.db2.gz ZEXFRMAJXWTNFE-IRLDBZIGSA-N 0 0 436.309 5.095 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2c(Cl)cccc2Cl)cc1 ZINC000245246497 569269690 /nfs/dbraw/zinc/26/96/90/569269690.db2.gz MXKCJPDXAAMLJF-OFNKIYASSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1OC ZINC000245246049 569269702 /nfs/dbraw/zinc/26/97/02/569269702.db2.gz GPWQYIAEUMUSGJ-RDPSFJRHSA-N 0 0 438.886 5.739 50 0 IKAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 ZINC000245310999 569269808 /nfs/dbraw/zinc/26/98/08/569269808.db2.gz LDNOEDBPXLUFCK-DSNGMDLFSA-N 0 0 440.543 5.344 50 0 IKAARN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000245309382 569269844 /nfs/dbraw/zinc/26/98/44/569269844.db2.gz CKHWGQAGHQQPTC-TWJOJJKGSA-N 0 0 434.495 5.199 50 0 IKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)CS3)[C@H]1C ZINC000245298138 569269915 /nfs/dbraw/zinc/26/99/15/569269915.db2.gz XIRRWPNAIPLHBL-GQIGUUNPSA-N 0 0 443.012 5.533 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccs2)cc1 ZINC000245377592 569269940 /nfs/dbraw/zinc/26/99/40/569269940.db2.gz NBAXVZLVEBDJEJ-NQIIRXRSSA-N 0 0 425.351 6.061 50 0 IKAARN O[C@@H]1c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000247747756 569270013 /nfs/dbraw/zinc/27/00/13/569270013.db2.gz QWYCALYVYWPWLT-KWKLTRBOSA-N 0 0 434.535 5.006 50 0 IKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000247554494 569270045 /nfs/dbraw/zinc/27/00/45/569270045.db2.gz WYFMNELGVJKICS-IRLDBZIGSA-N 0 0 429.333 6.038 50 0 IKAARN C[C@]1(O)c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000247999578 569270263 /nfs/dbraw/zinc/27/02/63/569270263.db2.gz FDVCVRVOUODMNO-VUSYKXIMSA-N 0 0 448.562 5.181 50 0 IKAARN C1=C[C@@H]2[C@@H]3[C@H]1[C@@H](CCSc1ccccc1)[C@@H]1C=C[C@H]([C@H]2CCSc2ccccc2)[C@@H]31 ZINC000248138738 569270378 /nfs/dbraw/zinc/27/03/78/569270378.db2.gz AYZBXVIUEAERKV-MZWAJBFDSA-N 0 0 430.682 7.448 50 0 IKAARN C1=C[C@@H]2[C@@H](CCSc3ccccc3)[C@@H]3C=C[C@@H]4[C@@H](CCSc5ccccc5)[C@@H]1[C@H]2[C@H]43 ZINC000248138734 569270405 /nfs/dbraw/zinc/27/04/05/569270405.db2.gz AYZBXVIUEAERKV-DZZATQCDSA-N 0 0 430.682 7.448 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCC)c(OC)c2)cc1 ZINC000248126483 569270433 /nfs/dbraw/zinc/27/04/33/569270433.db2.gz GOSABOAACAQEBL-KCWPFWIISA-N 0 0 444.531 5.735 50 0 IKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000248177594 569270552 /nfs/dbraw/zinc/27/05/52/569270552.db2.gz BISSNWOBCOYNKF-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)c1 ZINC000248255475 569270769 /nfs/dbraw/zinc/27/07/69/569270769.db2.gz SASODPZEMGMLTA-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000248257852 569270855 /nfs/dbraw/zinc/27/08/55/569270855.db2.gz UHWXIHJLBMOMJH-OZXSUGGESA-N 0 0 446.572 6.058 50 0 IKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)c1 ZINC000248259281 569270882 /nfs/dbraw/zinc/27/08/82/569270882.db2.gz UXQGZXXFEUNYLH-GMAHTHKFSA-N 0 0 425.315 6.244 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2OCC)cc1 ZINC000248380890 569270981 /nfs/dbraw/zinc/27/09/81/569270981.db2.gz RMTZPAIRHOQBCJ-BVAGGSTKSA-N 0 0 448.950 6.380 50 0 IKAARN O=C1c2cc3c(cc2[C@@H]2C[C@H](OCc4ccccc4)C=C[C@@H]2N1Cc1ccccc1)OCO3 ZINC000252494182 569271338 /nfs/dbraw/zinc/27/13/38/569271338.db2.gz NNEHPIVKHTYVNA-VTZPFEBOSA-N 0 0 439.511 5.069 50 0 IKAARN COc1cccc(C(=O)N2c3ccc(Cl)cc3-c3c(=S)ssc3C2(C)C)c1 ZINC000027546610 569271339 /nfs/dbraw/zinc/27/13/39/569271339.db2.gz SCOGIWSIXDUKLU-UHFFFAOYSA-N 0 0 434.007 6.764 50 0 IKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 ZINC000002301262 569271391 /nfs/dbraw/zinc/27/13/91/569271391.db2.gz AWURMEYGGDYWCA-UHFFFAOYSA-N 0 0 432.614 6.413 50 0 IKAARN CC1CCN(C(=O)c2nn3c(nc4c(c3C(F)(F)F)CCc3ccccc3-4)c2Cl)CC1 ZINC000002306733 569271795 /nfs/dbraw/zinc/27/17/95/569271795.db2.gz CKMLHIRRECTSMK-UHFFFAOYSA-N 0 0 448.876 5.039 50 0 IKAARN Cc1ccc(-n2c(=O)c3cc4c(nc3nc2SCc2ccccc2)CC(C)(C)OC4)cc1 ZINC000002306570 569271840 /nfs/dbraw/zinc/27/18/40/569271840.db2.gz AJAVITVJVFGWHZ-UHFFFAOYSA-N 0 0 443.572 5.233 50 0 IKAARN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002308158 569272014 /nfs/dbraw/zinc/27/20/14/569272014.db2.gz YNYHJGJGVSAPEO-UHFFFAOYSA-N 0 0 426.687 5.949 50 0 IKAARN O=C(Nc1ccccc1)c1nn(-c2c(Cl)cccc2Cl)c(=Nc2ccccc2)s1 ZINC000252628014 569272032 /nfs/dbraw/zinc/27/20/32/569272032.db2.gz SGKYKYJGVCSCDP-UHFFFAOYSA-N 0 0 441.343 5.725 50 0 IKAARN Cc1ccc(S(=O)(=O)NCC[C@@H](Cc2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002317353 569272422 /nfs/dbraw/zinc/27/24/22/569272422.db2.gz BAUNNWNDLVQBEF-DEOSSOPVSA-N 0 0 437.605 5.477 50 0 IKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1ccc(F)cc1 ZINC000002317188 569272423 /nfs/dbraw/zinc/27/24/23/569272423.db2.gz ZZMXRLJRCLXMKY-RUZDIDTESA-N 0 0 433.419 7.288 50 0 IKAARN CCc1ccc(-n2nc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 ZINC000002317651 569272434 /nfs/dbraw/zinc/27/24/34/569272434.db2.gz OJJFNEVJKZEFBD-UHFFFAOYSA-N 0 0 432.527 5.754 50 0 IKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)oc2c(C)c1 ZINC000002315823 569272443 /nfs/dbraw/zinc/27/24/43/569272443.db2.gz MXCKMKUDKIFLJL-UHFFFAOYSA-N 0 0 441.512 5.985 50 0 IKAARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)cc1OC ZINC000002315880 569272458 /nfs/dbraw/zinc/27/24/58/569272458.db2.gz IXFBODWPJVSYHU-UHFFFAOYSA-N 0 0 430.504 6.196 50 0 IKAARN Cc1ccc([C@H](NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 ZINC000002315676 569272464 /nfs/dbraw/zinc/27/24/64/569272464.db2.gz IRVFILTVJFSHPH-AREMUKBSSA-N 0 0 440.543 5.057 50 0 IKAARN 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]3C=C[C@@]21C ZINC000253493318 569272788 /nfs/dbraw/zinc/27/27/88/569272788.db2.gz SWHWAFFISKDSIL-KUQUJJCQSA-N 0 0 430.629 5.942 50 0 IKAARN C[C@H]1[C@H]([C@H]2CC[C@@H](C)CO2)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]12 ZINC000253497652 569272828 /nfs/dbraw/zinc/27/28/28/569272828.db2.gz AAUNTCAWMSYFFB-JUUNUDLRSA-N 0 0 428.657 5.755 50 0 IKAARN CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000253508320 569273000 /nfs/dbraw/zinc/27/30/00/569273000.db2.gz 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CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000008883947 569291994 /nfs/dbraw/zinc/29/19/94/569291994.db2.gz GSBUOUUXYQLZQP-FMIVXFBMSA-N 0 0 449.860 5.861 50 0 IKAARN Clc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000008888409 569292098 /nfs/dbraw/zinc/29/20/98/569292098.db2.gz UAGVVYADQPGKSY-UHFFFAOYSA-N 0 0 443.761 7.138 50 0 IKAARN COc1ccc(-c2cn(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccc(OC)cc2)cc1 ZINC000008925715 569292436 /nfs/dbraw/zinc/29/24/36/569292436.db2.gz MSHUNMXUZDXIES-UHFFFAOYSA-N 0 0 439.342 6.589 50 0 IKAARN Clc1ccc(CSCc2cc(NCc3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000008925810 569292437 /nfs/dbraw/zinc/29/24/37/569292437.db2.gz GEDOKBQPHURSIL-UHFFFAOYSA-N 0 0 431.992 6.843 50 0 IKAARN Cc1ccc(C)c([S@](=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000008925802 569292449 /nfs/dbraw/zinc/29/24/49/569292449.db2.gz IIEMZTDDLUIKAO-MHZLTWQESA-N 0 0 439.389 5.480 50 0 IKAARN Cc1ccc(CSCc2nc3cc(Cl)ccc3c(=O)n2-c2cc(C)cc(C)c2)cc1 ZINC000008925804 569292452 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/nfs/dbraw/zinc/29/97/37/569299737.db2.gz VRSQNEOPQPGLPS-UHFFFAOYSA-N 0 0 442.364 5.880 50 0 IKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(NC2CCCCC2)n1)CCC4 ZINC000002402827 569299771 /nfs/dbraw/zinc/29/97/71/569299771.db2.gz LOPMACAHCCMSGL-UHFFFAOYSA-N 0 0 426.655 6.393 50 0 IKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2Nc2cc(C)cc(C)c2)c1-c1ccccc1 ZINC000002402459 569299778 /nfs/dbraw/zinc/29/97/78/569299778.db2.gz PLGNALLMVOIMMK-UHFFFAOYSA-N 0 0 432.571 6.964 50 0 IKAARN CCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002403337 569299891 /nfs/dbraw/zinc/29/98/91/569299891.db2.gz ZQDBBXGKHNDQAB-UHFFFAOYSA-N 0 0 430.552 6.016 50 0 IKAARN Cc1nn2c(nc(C(C)(C)C)cc2SCC(=O)Nc2ccccc2)c1-c1ccccc1 ZINC000002405016 569300015 /nfs/dbraw/zinc/30/00/15/569300015.db2.gz VVRPUNUQYXQIDH-UHFFFAOYSA-N 0 0 430.577 5.733 50 0 IKAARN COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000002408218 569300356 /nfs/dbraw/zinc/30/03/56/569300356.db2.gz HDGBVBKWUQVBPB-QHCPKHFHSA-N 0 0 445.902 5.243 50 0 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/nfs/dbraw/zinc/30/10/59/569301059.db2.gz XUBDISAOUQMXHB-GCKKQHTFSA-N 0 0 444.328 5.380 50 0 IKAARN CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCc4ccccc4)c23)CO1 ZINC000002412743 569301071 /nfs/dbraw/zinc/30/10/71/569301071.db2.gz KYFQOQFOTJUHSV-HSZRJFAPSA-N 0 0 427.639 6.088 50 0 IKAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O)c1ccccc1 ZINC000002413775 569301123 /nfs/dbraw/zinc/30/11/23/569301123.db2.gz YKPYEZOQJABUCN-YADHBBJMSA-N 0 0 427.548 5.645 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O ZINC000002412860 569301180 /nfs/dbraw/zinc/30/11/80/569301180.db2.gz FXZBFPYMYOAOPL-XMMPIXPASA-N 0 0 433.548 5.585 50 0 IKAARN O=C(CCc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000002413385 569301195 /nfs/dbraw/zinc/30/11/95/569301195.db2.gz HSJLTYFEXFXBIN-XZOQPEGZSA-N 0 0 441.510 5.135 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)CCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002413979 569301287 /nfs/dbraw/zinc/30/12/87/569301287.db2.gz WHWUYZCKMBWUAY-IBGZPJMESA-N 0 0 449.558 5.215 50 0 IKAARN CSc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000002416031 569301505 /nfs/dbraw/zinc/30/15/05/569301505.db2.gz GNNAYEZQEYDCCG-GOTSBHOMSA-N 0 0 444.585 5.583 50 0 IKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002418469 569301598 /nfs/dbraw/zinc/30/15/98/569301598.db2.gz YJXKHCHYMFWOOL-GBXCKJPGSA-N 0 0 431.532 5.257 50 0 IKAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002417869 569301629 /nfs/dbraw/zinc/30/16/29/569301629.db2.gz AWHHEENBXJLBBS-QFIPXVFZSA-N 0 0 430.891 5.715 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002417711 569301646 /nfs/dbraw/zinc/30/16/46/569301646.db2.gz NZFBFCZKLSYSOO-CVDCTZTESA-N 0 0 431.532 5.123 50 0 IKAARN CCCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 ZINC000002418775 569301781 /nfs/dbraw/zinc/30/17/81/569301781.db2.gz FFTGOCHPKNQAEV-UHFFFAOYSA-N 0 0 432.571 7.026 50 0 IKAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2)c1ccco1 ZINC000002420437 569301988 /nfs/dbraw/zinc/30/19/88/569301988.db2.gz IZCPYBGYFBVIRV-ROUUACIJSA-N 0 0 437.862 5.062 50 0 IKAARN O=S(=O)(Cc1ccccc1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000002423384 569302205 /nfs/dbraw/zinc/30/22/05/569302205.db2.gz AMAKABAAEREESU-AREMUKBSSA-N 0 0 448.632 5.912 50 0 IKAARN CCCCCCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002422500 569302246 /nfs/dbraw/zinc/30/22/46/569302246.db2.gz MMXHBMAHBNRFDY-UHFFFAOYSA-N 0 0 442.972 5.233 50 0 IKAARN CCCCc1nc2sc3c(nc(SC)nc3NCc3ccccc3)c2c2c1CCC2 ZINC000002424439 569302330 /nfs/dbraw/zinc/30/23/30/569302330.db2.gz XOYTVIPIYQOUAD-UHFFFAOYSA-N 0 0 434.634 6.405 50 0 IKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](Nc1ccccc1)c1ccccc1F ZINC000002427974 569302703 /nfs/dbraw/zinc/30/27/03/569302703.db2.gz MLLJCSMRUWQZDX-VWLOTQADSA-N 0 0 445.515 7.828 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(Cl)cc2)cc1 ZINC000002428270 569302724 /nfs/dbraw/zinc/30/27/24/569302724.db2.gz STPZAWUPSMAURE-UHFFFAOYSA-N 0 0 448.950 5.975 50 0 IKAARN Cc1ccc(OCCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c(C)c1 ZINC000011667334 569302834 /nfs/dbraw/zinc/30/28/34/569302834.db2.gz VHYYHWBLYUGKQW-FQEVSTJZSA-N 0 0 431.536 5.596 50 0 IKAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3ccc(Cl)cc3Cl)cc12 ZINC000002429652 569302837 /nfs/dbraw/zinc/30/28/37/569302837.db2.gz ANGLLWVMZVXHEF-UHFFFAOYSA-N 0 0 430.360 5.941 50 0 IKAARN COc1ccc(-c2c(C)c3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3oc2=O)cc1 ZINC000011865083 569303128 /nfs/dbraw/zinc/30/31/28/569303128.db2.gz JCJKYVBAZNAJOB-UHFFFAOYSA-N 0 0 443.499 5.411 50 0 IKAARN O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccccc3Cl)ccc12 ZINC000002434028 569303352 /nfs/dbraw/zinc/30/33/52/569303352.db2.gz FSXJCCSSVLSUAR-UHFFFAOYSA-N 0 0 441.708 6.455 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)c(C)c2)cc1 ZINC000002438681 569303932 /nfs/dbraw/zinc/30/39/32/569303932.db2.gz TVQCHZFHDGMOMS-UHFFFAOYSA-N 0 0 428.532 5.548 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 ZINC000002439375 569304016 /nfs/dbraw/zinc/30/40/16/569304016.db2.gz MAYAORKXJRWIJU-LJQANCHMSA-N 0 0 426.255 5.438 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 ZINC000002439384 569304038 /nfs/dbraw/zinc/30/40/38/569304038.db2.gz CFDHHBQEINBXME-UHFFFAOYSA-N 0 0 439.515 5.086 50 0 IKAARN Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000002441387 569304124 /nfs/dbraw/zinc/30/41/24/569304124.db2.gz PLVXBRCFVOLIKY-UHFFFAOYSA-N 0 0 449.963 5.783 50 0 IKAARN Cc1sc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc32)nc1-c1ccccc1 ZINC000002440502 569304165 /nfs/dbraw/zinc/30/41/65/569304165.db2.gz PSHRUGGEIHWGEJ-NHFJDJAPSA-N 0 0 438.508 6.493 50 0 IKAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000002442715 569304206 /nfs/dbraw/zinc/30/42/06/569304206.db2.gz XAAMDARJJXKHEV-AWEZNQCLSA-N 0 0 429.995 5.334 50 0 IKAARN Cc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccc(C)cc2)cc1 ZINC000002443851 569304235 /nfs/dbraw/zinc/30/42/35/569304235.db2.gz GTOTUFGTHCRUHA-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000002443916 569304261 /nfs/dbraw/zinc/30/42/61/569304261.db2.gz GAPYMQQAQIIGEK-VWLOTQADSA-N 0 0 441.556 5.713 50 0 IKAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccs3)sc2c1 ZINC000002445238 569304349 /nfs/dbraw/zinc/30/43/49/569304349.db2.gz JJXIVDSHVHVUNU-LJQANCHMSA-N 0 0 430.510 5.522 50 0 IKAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1OC ZINC000002444559 569304383 /nfs/dbraw/zinc/30/43/83/569304383.db2.gz RWBCAHKCUUESSU-UHFFFAOYSA-N 0 0 436.295 5.022 50 0 IKAARN COc1ccccc1CN1CCOc2c(cc(-c3cc(Cl)ccc3OC)cc2OC)C1 ZINC000055325705 569304387 /nfs/dbraw/zinc/30/43/87/569304387.db2.gz FMOLAHWLALKXDE-UHFFFAOYSA-N 0 0 439.939 5.427 50 0 IKAARN Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c3nc4ccccc4nc32)c1C ZINC000002447452 569304487 /nfs/dbraw/zinc/30/44/87/569304487.db2.gz SVZBWJQDAYALME-SFHVURJKSA-N 0 0 443.595 5.717 50 0 IKAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 ZINC000002448049 569304600 /nfs/dbraw/zinc/30/46/00/569304600.db2.gz YPDHAIGSQNKDNA-UHFFFAOYSA-N 0 0 438.890 5.438 50 0 IKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCc1ccccc1 ZINC000012575186 569304612 /nfs/dbraw/zinc/30/46/12/569304612.db2.gz BIHAPUMWPVXHHS-KVOJEJHXSA-N 0 0 442.326 7.572 50 0 IKAARN C/C(=N\NC(=O)c1ccncc1)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012659441 569304694 /nfs/dbraw/zinc/30/46/94/569304694.db2.gz HIMZXVKKQBAUQS-SBNFSCNTSA-N 0 0 435.612 5.127 50 0 biogenic IKAARN CCCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1=O ZINC000002450044 569304794 /nfs/dbraw/zinc/30/47/94/569304794.db2.gz OYTNHCGMEKKSBM-XLNRJJMWSA-N 0 0 447.604 5.232 50 0 IKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(Cl)cc1 ZINC000002450938 569304974 /nfs/dbraw/zinc/30/49/74/569304974.db2.gz IUMIHDDGPUKBRY-UHFFFAOYSA-N 0 0 428.989 5.647 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000002450288 569304987 /nfs/dbraw/zinc/30/49/87/569304987.db2.gz SHYMECRPKHWKTI-UHFFFAOYSA-N 0 0 431.565 5.197 50 0 IKAARN COc1ccc(-c2nc(-n3nc(C)cc3C)sc2Sc2ccc(Cl)cc2)cc1 ZINC000012954043 569305153 /nfs/dbraw/zinc/30/51/53/569305153.db2.gz ILUALLPCCZQLMM-UHFFFAOYSA-N 0 0 427.982 6.426 50 0 IKAARN Cc1ccc(Sc2nc(SCc3ccccc3)nc3c4ccccc4sc32)cc1 ZINC000012955123 569305158 /nfs/dbraw/zinc/30/51/58/569305158.db2.gz DZTPPJFLYSKXBD-UHFFFAOYSA-N 0 0 430.623 7.596 50 0 IKAARN Cc1ccc(C)n1-c1sccc1-c1cc2nc(C(F)(F)F)cc(C(F)(F)F)n2n1 ZINC000012955267 569305210 /nfs/dbraw/zinc/30/52/10/569305210.db2.gz DGGAHWQFAUVFJD-UHFFFAOYSA-N 0 0 430.377 5.903 50 0 IKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1-c1ncc(C(=O)c2ccc(Cl)cc2)s1 ZINC000012953403 569305219 /nfs/dbraw/zinc/30/52/19/569305219.db2.gz RNBKFBKSRBQQNR-UHFFFAOYSA-N 0 0 449.746 6.965 50 0 IKAARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)NCc1ccc(Cl)cc1 ZINC000012957695 569305260 /nfs/dbraw/zinc/30/52/60/569305260.db2.gz MHQGWMUGQLMTGH-LFYBBSHMSA-N 0 0 446.761 6.555 50 0 IKAARN O=c1c2cc(Cl)c(Cl)cc2c(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 ZINC000012958301 569305275 /nfs/dbraw/zinc/30/52/75/569305275.db2.gz MKKLUIBOWOLLIZ-UHFFFAOYSA-N 0 0 436.125 6.666 50 0 IKAARN O=[S@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012957565 569305319 /nfs/dbraw/zinc/30/53/19/569305319.db2.gz NGDHDYCGGFLVCN-SANMLTNESA-N 0 0 425.764 5.691 50 0 IKAARN Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(Sc2ccc(C(C)(C)C)cc2)n1 ZINC000012955613 569305328 /nfs/dbraw/zinc/30/53/28/569305328.db2.gz IMMCUYPGYDBQPZ-MUUNZHRXSA-N 0 0 431.026 6.195 50 0 IKAARN O=S(=O)(CO[C@@H]1c2ccccc2OC/C1=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000012959362 569305407 /nfs/dbraw/zinc/30/54/07/569305407.db2.gz OFFNSXCBNITLCT-OTRAAIJSSA-N 0 0 426.921 5.305 50 0 IKAARN Clc1ccc(Sc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 ZINC000012959224 569305456 /nfs/dbraw/zinc/30/54/56/569305456.db2.gz UGFYUYMIDXXUPP-UHFFFAOYSA-N 0 0 433.429 7.106 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000002453100 569305457 /nfs/dbraw/zinc/30/54/57/569305457.db2.gz GNHQBKMTOPEPBQ-UHFFFAOYSA-N 0 0 437.956 5.071 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccccc2)cc1 ZINC000002453306 569305528 /nfs/dbraw/zinc/30/55/28/569305528.db2.gz WDXJGRNISKPVEG-UHFFFAOYSA-N 0 0 448.979 5.935 50 0 IKAARN CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(NC[C@@H]2CCCO2)n1 ZINC000002452298 569305560 /nfs/dbraw/zinc/30/55/60/569305560.db2.gz SMAYSQUOVNTQRD-LBPRGKRZSA-N 0 0 438.578 5.301 50 0 IKAARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000002451708 569305562 /nfs/dbraw/zinc/30/55/62/569305562.db2.gz UGNBPKCZFUMXHW-LJQANCHMSA-N 0 0 426.291 6.603 50 0 IKAARN COc1cc(C)c(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1OC ZINC000012977973 569305638 /nfs/dbraw/zinc/30/56/38/569305638.db2.gz UTYUPGOPPXPBGB-XSFVSMFZSA-N 0 0 439.458 5.793 50 0 IKAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000013001419 569306145 /nfs/dbraw/zinc/30/61/45/569306145.db2.gz AZSOWTPUIRHVTE-VMPITWQZSA-N 0 0 431.332 5.553 50 0 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Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(C)c1 ZINC000013283352 569312606 /nfs/dbraw/zinc/31/26/06/569312606.db2.gz IYSRPDGBJIRMML-UHFFFAOYSA-N 0 0 428.605 5.930 50 0 IKAARN COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc32)Cc2ccncc2)c1 ZINC000013283354 569312624 /nfs/dbraw/zinc/31/26/24/569312624.db2.gz YPHZONWXZZSORO-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(Cl)c1 ZINC000013283340 569312630 /nfs/dbraw/zinc/31/26/30/569312630.db2.gz QVZWQCWUNBDGHD-UHFFFAOYSA-N 0 0 434.996 5.966 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)Nc3cccc(F)c3)c2c1 ZINC000013283400 569312704 /nfs/dbraw/zinc/31/27/04/569312704.db2.gz NNGLBONJVPFNNK-UHFFFAOYSA-N 0 0 448.567 5.461 50 0 IKAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013284025 569312705 /nfs/dbraw/zinc/31/27/05/569312705.db2.gz LDNSHWMWSTZMGN-UHFFFAOYSA-N 0 0 441.862 5.284 50 0 IKAARN O=C(c1ccccc1C(F)(F)F)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002456459 569312717 /nfs/dbraw/zinc/31/27/17/569312717.db2.gz HSNQITGZQSZASA-OAQYLSRUSA-N 0 0 446.375 5.168 50 0 IKAARN O=C(c1cccc(C(F)(F)F)c1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002456463 569312735 /nfs/dbraw/zinc/31/27/35/569312735.db2.gz LKNKRXZVAHPYSI-OAQYLSRUSA-N 0 0 446.375 5.168 50 0 IKAARN FC(F)(F)c1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 ZINC000013303667 569312766 /nfs/dbraw/zinc/31/27/66/569312766.db2.gz YNLJNPLWLYFWRX-UHFFFAOYSA-N 0 0 438.499 7.514 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC ZINC000013348120 569313017 /nfs/dbraw/zinc/31/30/17/569313017.db2.gz JOWXGKSNAXVKLS-UHFFFAOYSA-N 0 0 446.507 5.018 50 0 IKAARN Cn1c(CCc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)nc2ccccc21 ZINC000013348461 569313047 /nfs/dbraw/zinc/31/30/47/569313047.db2.gz BGGULVXKBPTISL-UHFFFAOYSA-N 0 0 449.352 5.765 50 0 IKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)Nc1ccc2c(c1)OCCO2 ZINC000013346814 569313058 /nfs/dbraw/zinc/31/30/58/569313058.db2.gz DIGKPCFHNVPIQT-UHFFFAOYSA-N 0 0 437.908 6.032 50 0 IKAARN O=C(NC[C@@H]1CCCO1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC000013348008 569313110 /nfs/dbraw/zinc/31/31/10/569313110.db2.gz CFIWPQSDYYRWDV-QHCPKHFHSA-N 0 0 440.547 5.111 50 0 IKAARN COc1cc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc(OC)c1OC ZINC000013351223 569313355 /nfs/dbraw/zinc/31/33/55/569313355.db2.gz STLKGUJWEKRUEL-UHFFFAOYSA-N 0 0 446.463 5.073 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)cc4C)cc32)cc1 ZINC000013355927 569313530 /nfs/dbraw/zinc/31/35/30/569313530.db2.gz JURPWEBXUHZZJO-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cc(C)cc(C)c4)ccc32)cc1 ZINC000013359597 569313861 /nfs/dbraw/zinc/31/38/61/569313861.db2.gz ZIPZNBFPZKPDSR-UHFFFAOYSA-N 0 0 435.549 5.007 50 0 IKAARN COc1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1 ZINC000013360697 569314029 /nfs/dbraw/zinc/31/40/29/569314029.db2.gz MYLLBKKPSCDDLI-UHFFFAOYSA-N 0 0 434.517 5.435 50 0 IKAARN Cc1ccc(CC(=O)Nc2ccc(SCc3nc4cc(C)c(C)cc4[nH]c3=O)cc2)cc1 ZINC000013360968 569314037 /nfs/dbraw/zinc/31/40/37/569314037.db2.gz ISGSXCRCUWJORO-UHFFFAOYSA-N 0 0 443.572 5.322 50 0 IKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 ZINC000013361067 569314049 /nfs/dbraw/zinc/31/40/49/569314049.db2.gz CPSOLXBUORKECJ-UHFFFAOYSA-N 0 0 435.936 5.050 50 0 IKAARN COc1cccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 ZINC000013364536 569314256 /nfs/dbraw/zinc/31/42/56/569314256.db2.gz NQTLFUOKQYAIBS-HXUWFJFHSA-N 0 0 427.838 5.878 50 0 IKAARN O=C(CSc1ccc(NC(=O)c2ccccc2)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000013365562 569314258 /nfs/dbraw/zinc/31/42/58/569314258.db2.gz XYWVQOUOZJZPCP-UHFFFAOYSA-N 0 0 445.569 5.793 50 0 IKAARN C[C@@H](NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccc2c(c1)OCCO2 ZINC000013369104 569314701 /nfs/dbraw/zinc/31/47/01/569314701.db2.gz SEFYFRZTERVSLY-MRXNPFEDSA-N 0 0 447.922 5.005 50 0 IKAARN C[C@@H](NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)C12CC3CC(CC(C3)C1)C2 ZINC000013369061 569314727 /nfs/dbraw/zinc/31/47/27/569314727.db2.gz BQKLNYKKGVCIET-IHAPDJFTSA-N 0 0 448.010 6.078 50 0 IKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)COc1ccc(Cl)cc1 ZINC000013369976 569314834 /nfs/dbraw/zinc/31/48/34/569314834.db2.gz SESBKDDZUFXEDE-UXHICEINSA-N 0 0 442.991 5.138 50 0 biogenic IKAARN O=C(c1ccccc1)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370100 569314934 /nfs/dbraw/zinc/31/49/34/569314934.db2.gz VEQRFBGRGSPJOH-PKTZIBPZSA-N 0 0 432.612 6.204 50 0 biogenic IKAARN O=C(c1ccccc1F)N1c2nc(-c3cccnc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370139 569314950 /nfs/dbraw/zinc/31/49/50/569314950.db2.gz WFXXAEIOSRLQMF-IRLDBZIGSA-N 0 0 445.542 5.358 50 0 biogenic IKAARN CCOC(=O)CSc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1 ZINC000013370179 569314957 /nfs/dbraw/zinc/31/49/57/569314957.db2.gz JAGBNUKEWWRHIH-UHFFFAOYSA-N 0 0 430.595 5.106 50 0 IKAARN Cc1ccc(C(=O)N2c3nc(-c4cccnc4)nn3C3(CCCCC3)[C@@H]3CCCC[C@@H]32)cc1 ZINC000013370127 569314973 /nfs/dbraw/zinc/31/49/73/569314973.db2.gz NFIHQVOYVQWJCB-PKTZIBPZSA-N 0 0 441.579 5.527 50 0 biogenic IKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1C ZINC000013388731 569315297 /nfs/dbraw/zinc/31/52/97/569315297.db2.gz XDYGRXVDDWPWBU-UHFFFAOYSA-N 0 0 431.536 6.092 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000328590132 569316845 /nfs/dbraw/zinc/31/68/45/569316845.db2.gz LCRKRWRCBQQCLC-SFHVURJKSA-N 0 0 442.934 5.286 50 0 IKAARN O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1ccc(C2SCCS2)cc1 ZINC000328591127 569316949 /nfs/dbraw/zinc/31/69/49/569316949.db2.gz XFETUVPBFCQJJU-OAHLLOKOSA-N 0 0 425.453 5.767 50 0 IKAARN COc1ccc(Cl)cc1CSC1=N[C@@](C)(c2ccc(Br)cc2)C(=O)N1 ZINC000328593157 569317299 /nfs/dbraw/zinc/31/72/99/569317299.db2.gz LFXQRCASGQTNOL-SFHVURJKSA-N 0 0 439.762 5.586 50 0 IKAARN CC1(C)CN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)[C@H]1c1ccncc1 ZINC000328595906 569317818 /nfs/dbraw/zinc/31/78/18/569317818.db2.gz JUABUPYOVXTCPS-IBGZPJMESA-N 0 0 425.323 5.081 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1Br ZINC000328599966 569318125 /nfs/dbraw/zinc/31/81/25/569318125.db2.gz UZUMFDILPYWFEW-SFHVURJKSA-N 0 0 429.701 5.687 50 0 IKAARN CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1 ZINC000078698949 569318259 /nfs/dbraw/zinc/31/82/59/569318259.db2.gz WMOLOFFFDCNPFU-IBGZPJMESA-N 0 0 444.318 5.387 50 0 IKAARN CSc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019321464 569318267 /nfs/dbraw/zinc/31/82/67/569318267.db2.gz XVFVTXKBAKENKF-DEOSSOPVSA-N 0 0 426.988 6.218 50 0 IKAARN CCCCOc1ccc([C@@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019330520 569318446 /nfs/dbraw/zinc/31/84/46/569318446.db2.gz LIFOUOHTFPIZBM-GDLZYMKVSA-N 0 0 446.610 6.720 50 0 IKAARN CCCC12CN3CC(CCC)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O ZINC000019330084 569318487 /nfs/dbraw/zinc/31/84/87/569318487.db2.gz ZPBQCLUBPZMSQF-UHFFFAOYSA-N 0 0 441.619 5.475 50 0 biogenic IKAARN Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)[C@@H]2c2c(Cl)cccc2Cl)c1 ZINC000019330538 569318492 /nfs/dbraw/zinc/31/84/92/569318492.db2.gz GYMWRBBLYVPHJF-VWLOTQADSA-N 0 0 443.393 6.848 50 0 IKAARN Cc1ccccc1CN1CCN(Cc2ccccc2F)[C@@H]1c1c(Cl)cccc1Cl ZINC000019330511 569318498 /nfs/dbraw/zinc/31/84/98/569318498.db2.gz ARWFWTVNDNUYAU-XMMPIXPASA-N 0 0 429.366 6.458 50 0 IKAARN CSc1ccc([C@@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)cc1 ZINC000019330549 569318547 /nfs/dbraw/zinc/31/85/47/569318547.db2.gz GNJFRDQTGGBCTI-VWLOTQADSA-N 0 0 441.015 6.608 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 ZINC000078718326 569318559 /nfs/dbraw/zinc/31/85/59/569318559.db2.gz LAJXWCQLQBVGQQ-WOJBJXKFSA-N 0 0 425.410 5.095 50 0 IKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1c(C)nn(C)c1Oc1cccnc1 ZINC000078733106 569318687 /nfs/dbraw/zinc/31/86/87/569318687.db2.gz PEIHPRKMORQMQP-UHFFFAOYSA-N 0 0 439.928 5.253 50 0 IKAARN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)[C@H]3CCS(=O)(=O)C3)cc2F)cc1 ZINC000078813274 569319203 /nfs/dbraw/zinc/31/92/03/569319203.db2.gz KPTDNNPDPLQCSN-APWZRJJASA-N 0 0 449.613 5.054 50 0 IKAARN CCCc1nc([C@H](NC(=O)c2ccc(C3SCCS3)cc2)c2ccccc2)no1 ZINC000078823489 569319476 /nfs/dbraw/zinc/31/94/76/569319476.db2.gz HLGSNLRHLQJALD-LJQANCHMSA-N 0 0 425.579 5.020 50 0 IKAARN COc1ccc(N(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C(C)C)cc1F ZINC000078899889 569320112 /nfs/dbraw/zinc/32/01/12/569320112.db2.gz LIHMBPXISJWTDM-UHFFFAOYSA-N 0 0 431.920 5.484 50 0 IKAARN COc1ccc([C@@H](CNc2ncccc2-c2nc(C)no2)c2c[nH]c3ccccc32)cc1 ZINC000078903553 569320239 /nfs/dbraw/zinc/32/02/39/569320239.db2.gz WSOJCYUVXHOODL-OAQYLSRUSA-N 0 0 425.492 5.174 50 0 IKAARN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O ZINC000078950894 569320428 /nfs/dbraw/zinc/32/04/28/569320428.db2.gz MDPMFSADSSYKMA-GGUMNFRJSA-N 0 0 444.531 5.108 50 0 IKAARN CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O ZINC000078950913 569320504 /nfs/dbraw/zinc/32/05/04/569320504.db2.gz MDPMFSADSSYKMA-RHGYRFJNSA-N 0 0 444.531 5.108 50 0 IKAARN C[C@H](c1nc(Cc2ccccc2)no1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000078969118 569320739 /nfs/dbraw/zinc/32/07/39/569320739.db2.gz LOVRTXUDUVRQHC-MRXNPFEDSA-N 0 0 449.505 5.269 50 0 IKAARN CCO[C@H]1C[C@@H](NCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C12CCCCC2 ZINC000078989987 569321449 /nfs/dbraw/zinc/32/14/49/569321449.db2.gz IWTVFJOUHWPWNG-RTWAWAEBSA-N 0 0 448.032 5.699 50 0 IKAARN CCCCS[C@@H](C)C(=O)NCc1c(F)cccc1NC(=O)[C@H](C)SCCCC ZINC000079016006 569322017 /nfs/dbraw/zinc/32/20/17/569322017.db2.gz RTWDVFRSDOJFBT-HOTGVXAUSA-N 0 0 428.639 5.224 50 0 IKAARN O=C1N(Cc2ccc(F)cc2)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000019625009 569323789 /nfs/dbraw/zinc/32/37/89/569323789.db2.gz LAPFBVOOQJWCEU-UHFFFAOYSA-N 0 0 425.459 5.118 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000079068419 569324437 /nfs/dbraw/zinc/32/44/37/569324437.db2.gz VZUVIOWIFOIDCV-QHCPKHFHSA-N 0 0 425.463 5.032 50 0 IKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)Cc4ccc(O)cc4)cc3)o2)c1 ZINC000079100658 569325526 /nfs/dbraw/zinc/32/55/26/569325526.db2.gz UKHJCSCTJVVZFA-GOSISDBHSA-N 0 0 427.504 5.121 50 0 IKAARN COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000079112238 569326176 /nfs/dbraw/zinc/32/61/76/569326176.db2.gz OSHPVQBTSAXSLE-AREMUKBSSA-N 0 0 449.554 5.843 50 0 IKAARN Cc1cccc2c(=O)c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793688 569329457 /nfs/dbraw/zinc/32/94/57/569329457.db2.gz RFYLPSLHBNRAPH-UHFFFAOYSA-N 0 0 437.587 5.052 50 0 IKAARN Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)s1 ZINC000019819558 569329983 /nfs/dbraw/zinc/32/99/83/569329983.db2.gz NELKHIQVXYZTDV-UHFFFAOYSA-N 0 0 425.623 5.078 50 0 IKAARN COc1ccc2c(c1)c(C(=O)N1CCC(O)(c3ccc(Cl)cc3)CC1)cn2C(C)C ZINC000079481653 569330881 /nfs/dbraw/zinc/33/08/81/569330881.db2.gz SAHYQOXTDXQNBL-UHFFFAOYSA-N 0 0 426.944 5.008 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCN(C)CC2)c1C ZINC000019880296 569331642 /nfs/dbraw/zinc/33/16/42/569331642.db2.gz NTZSYEBPJSABIX-NRFANRHFSA-N 0 0 425.623 5.016 50 0 IKAARN Cc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000020033109 569332633 /nfs/dbraw/zinc/33/26/33/569332633.db2.gz APQSUQCYCPVHIA-UHFFFAOYSA-N 0 0 434.923 5.207 50 0 IKAARN COc1ccccc1C(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(F)cc1 ZINC000020059966 569332997 /nfs/dbraw/zinc/33/29/97/569332997.db2.gz DXEQSGDPBMJMIG-UHFFFAOYSA-N 0 0 436.874 5.047 50 0 IKAARN Cc1cc(-c2ccc(OC(C)C)cc2)n2nc(COc3ccccc3)c(-c3ccccc3)c2n1 ZINC000020069304 569333081 /nfs/dbraw/zinc/33/30/81/569333081.db2.gz RQTPWYWJONKPCJ-UHFFFAOYSA-N 0 0 449.554 6.738 50 0 IKAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(C)c1 ZINC000020062119 569333136 /nfs/dbraw/zinc/33/31/36/569333136.db2.gz XEPPZCSPPVHVRQ-UHFFFAOYSA-N 0 0 434.989 5.082 50 0 IKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2cccc(Cl)c2)cc1OC ZINC000020072779 569333668 /nfs/dbraw/zinc/33/36/68/569333668.db2.gz SXJHZRFVKPABKD-OAQYLSRUSA-N 0 0 427.331 6.366 50 0 IKAARN O=S(=O)(CCCCC(Cl)(Cl)Cl)Oc1cc(Cl)c(Cl)cc1Cl ZINC000020074329 569333815 /nfs/dbraw/zinc/33/38/15/569333815.db2.gz ZMZPDQNGGMALTJ-UHFFFAOYSA-N 0 0 434.983 5.896 50 0 IKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cc(C)c(Cl)cc1OC ZINC000020103827 569334058 /nfs/dbraw/zinc/33/40/58/569334058.db2.gz NINWGAXZGYJDON-UHFFFAOYSA-N 0 0 438.833 6.144 50 0 IKAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)Nc1cnc2ccccc2c1 ZINC000020105168 569334235 /nfs/dbraw/zinc/33/42/35/569334235.db2.gz MASSWSQYCMENQT-UHFFFAOYSA-N 0 0 433.964 6.046 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc12 ZINC000020105404 569334278 /nfs/dbraw/zinc/33/42/78/569334278.db2.gz VPUCMJPZCWLAFT-UHFFFAOYSA-N 0 0 430.939 6.259 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 ZINC000020115902 569334966 /nfs/dbraw/zinc/33/49/66/569334966.db2.gz HNFMLXDGXXJCCQ-RBUKOAKNSA-N 0 0 430.451 5.316 50 0 IKAARN Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@@H](c2ccccc2)C(=O)[C@@H]1c1ccccc1 ZINC000020115251 569335001 /nfs/dbraw/zinc/33/50/01/569335001.db2.gz GLGDFPUNSJTPGO-CSBHBGLHSA-N 0 0 431.579 6.826 50 0 IKAARN CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N(C)Cc1ccco1 ZINC000020116167 569335144 /nfs/dbraw/zinc/33/51/44/569335144.db2.gz QFRVJAYNYWNYRS-PPXQLYMYSA-N 0 0 448.607 5.160 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccc(Cl)cc1 ZINC000020130928 569335353 /nfs/dbraw/zinc/33/53/53/569335353.db2.gz HTDXBXNUQSIQPK-UHFFFAOYSA-N 0 0 431.344 5.186 50 0 IKAARN COc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\c3ccc(C(C)=O)cc3)n2)cc1 ZINC000020131701 569335459 /nfs/dbraw/zinc/33/54/59/569335459.db2.gz LQXUNSJMWQHKLN-RFBIWTDZSA-N 0 0 437.455 5.593 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C)cc3C)nn2[C@@H]1c1cccs1 ZINC000020133784 569335524 /nfs/dbraw/zinc/33/55/24/569335524.db2.gz LPAYAYZUDVKPLP-LJQANCHMSA-N 0 0 440.594 5.101 50 0 IKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020138865 569336111 /nfs/dbraw/zinc/33/61/11/569336111.db2.gz WGHSAKDZQLUQQS-FCHUYYIVSA-N 0 0 436.433 5.181 50 0 IKAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2Cc1ccccc1F ZINC000020151729 569336549 /nfs/dbraw/zinc/33/65/49/569336549.db2.gz OBPAORGVEPJYHS-UHFFFAOYSA-N 0 0 448.441 5.037 50 0 IKAARN CCOc1ccc(/C=C2\N=C(SCC)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000020152152 569336593 /nfs/dbraw/zinc/33/65/93/569336593.db2.gz JNFBJEBYTIBIQH-YVLHZVERSA-N 0 0 434.920 5.383 50 0 IKAARN O=C(c1ccccc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCCCC2 ZINC000020152258 569336647 /nfs/dbraw/zinc/33/66/47/569336647.db2.gz MSBYPHNTDSZWBS-UHFFFAOYSA-N 0 0 441.394 5.772 50 0 IKAARN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc1S2 ZINC000020178943 569354616 /nfs/dbraw/zinc/35/46/16/569354616.db2.gz JFOXHVJQLLIGRS-UHFFFAOYSA-N 0 0 440.612 6.695 50 0 IKAARN COc1ccc(Cl)cc1N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000020178275 569354677 /nfs/dbraw/zinc/35/46/77/569354677.db2.gz VUXFRRLEOVMNKB-HXUWFJFHSA-N 0 0 444.293 6.393 50 0 IKAARN Cc1ccc(/C=C2\Sc3ccc(C(=O)NCCc4ccccc4)cc3N(C)C2=O)cc1 ZINC000020179577 569354806 /nfs/dbraw/zinc/35/48/06/569354806.db2.gz IQOQMMZOFFWZMM-JLPGSUDCSA-N 0 0 428.557 5.077 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2cccc(Cl)c2)S3)cc1 ZINC000020179830 569354877 /nfs/dbraw/zinc/35/48/77/569354877.db2.gz LVTZBSOIDJHJHK-QRVIBDJDSA-N 0 0 448.975 5.688 50 0 IKAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCc3ccc(C)cc3)cc2N(C)C1=O ZINC000020179712 569354890 /nfs/dbraw/zinc/35/48/90/569354890.db2.gz COBANNJRMFBKSO-BUVRLJJBSA-N 0 0 444.556 5.043 50 0 IKAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2N(C)C1=O ZINC000020179736 569354894 /nfs/dbraw/zinc/35/48/94/569354894.db2.gz XUSFPMSBMWDORT-CWJYYYGVSA-N 0 0 436.577 5.113 50 0 IKAARN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NC3CCCCCC3)cc21 ZINC000020179821 569354915 /nfs/dbraw/zinc/35/49/15/569354915.db2.gz IQKCBLJTSONTIE-HMAPJEAMSA-N 0 0 440.996 5.902 50 0 IKAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2N(C)C1=O ZINC000020179738 569354919 /nfs/dbraw/zinc/35/49/19/569354919.db2.gz XUSFPMSBMWDORT-GGILKSAQSA-N 0 0 436.577 5.113 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2 ZINC000020180354 569355007 /nfs/dbraw/zinc/35/50/07/569355007.db2.gz STQNKDKNQILOHA-CDSNYGQGSA-N 0 0 440.996 5.758 50 0 IKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)C1 ZINC000020180297 569355009 /nfs/dbraw/zinc/35/50/09/569355009.db2.gz NOXYMXJOZFJGJR-JTWXGIMTSA-N 0 0 440.996 5.568 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2N(C)C1=O ZINC000020180129 569355018 /nfs/dbraw/zinc/35/50/18/569355018.db2.gz DXQMFMPRBFSSHT-DAXYSORDSA-N 0 0 434.605 5.659 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NC4CCCCCC4)cc3N(C)C2=O)c1 ZINC000020180430 569355032 /nfs/dbraw/zinc/35/50/32/569355032.db2.gz QAEBOSFPSKYCDD-HAHDFKILSA-N 0 0 436.577 5.257 50 0 IKAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NCCC4=CCCCC4)cc3N(C)C2=O)c1 ZINC000020180475 569355102 /nfs/dbraw/zinc/35/51/02/569355102.db2.gz ADANMWXONKTCBF-JLPGSUDCSA-N 0 0 448.588 5.425 50 0 IKAARN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Oc2ccccc21)NCCC1=CCCCC1 ZINC000020180791 569355163 /nfs/dbraw/zinc/35/51/63/569355163.db2.gz JNIAEORQRYFVHF-XQNSMLJCSA-N 0 0 436.939 5.113 50 0 IKAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NC1CCCCCCC1 ZINC000020181140 569355218 /nfs/dbraw/zinc/35/52/18/569355218.db2.gz AJSSTGRINUNTRS-KQWNVCNZSA-N 0 0 438.568 5.535 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181033 569355254 /nfs/dbraw/zinc/35/52/54/569355254.db2.gz HFNVOTMVWFZCSF-OWLYXAJMSA-N 0 0 440.996 5.515 50 0 IKAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181035 569355262 /nfs/dbraw/zinc/35/52/62/569355262.db2.gz HFNVOTMVWFZCSF-QOGSAJBPSA-N 0 0 440.996 5.515 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1 ZINC000020181252 569355321 /nfs/dbraw/zinc/35/53/21/569355321.db2.gz AXQXWHKWJHHVTR-BUVRLJJBSA-N 0 0 428.557 5.100 50 0 IKAARN Cc1ccccc1/C=C1\Sc2ccccc2N(CC(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000020181419 569355334 /nfs/dbraw/zinc/35/53/34/569355334.db2.gz FSTPEQATPYVPTL-UZXDDYOISA-N 0 0 428.557 5.352 50 0 IKAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NC3CCCCCC3)C2=O)cc1 ZINC000020181597 569355373 /nfs/dbraw/zinc/35/53/73/569355373.db2.gz KMJUIHGJEICNGR-JJIBRWJFSA-N 0 0 434.605 5.568 50 0 IKAARN CC[C@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181472 569355410 /nfs/dbraw/zinc/35/54/10/569355410.db2.gz QZJMUOZAMBFLSU-BXUJETTOSA-N 0 0 434.483 5.100 50 0 IKAARN O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000020182432 569355428 /nfs/dbraw/zinc/35/54/28/569355428.db2.gz FDCBXECUDVXAHL-UHFFFAOYSA-N 0 0 447.491 5.342 50 0 IKAARN CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1 ZINC000020183432 569355501 /nfs/dbraw/zinc/35/55/01/569355501.db2.gz VGNGPQCIOYQUCK-UHFFFAOYSA-N 0 0 445.488 7.557 50 0 IKAARN Cn1cc(CN(C(=S)Nc2ccc(F)c(Cl)c2)C2CCCCC2)c2ccccc21 ZINC000020212657 569356298 /nfs/dbraw/zinc/35/62/98/569356298.db2.gz RJPYTUAAGGUTJR-UHFFFAOYSA-N 0 0 429.992 6.503 50 0 IKAARN CCn1cc(CN(C(=S)Nc2cccc(Cl)c2C)C2CCCCC2)c2ccccc21 ZINC000020212718 569356313 /nfs/dbraw/zinc/35/63/13/569356313.db2.gz FOVVLSYDJOGODB-UHFFFAOYSA-N 0 0 440.056 7.155 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1OC ZINC000020212152 569356325 /nfs/dbraw/zinc/35/63/25/569356325.db2.gz VSNCDASRJYNXSU-UHFFFAOYSA-N 0 0 441.531 5.277 50 0 IKAARN FC(F)(F)c1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)c1 ZINC000020212562 569356333 /nfs/dbraw/zinc/35/63/33/569356333.db2.gz ZXBOXYWISMLMKF-UHFFFAOYSA-N 0 0 431.527 6.718 50 0 IKAARN COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc23)c1 ZINC000020233323 569357130 /nfs/dbraw/zinc/35/71/30/569357130.db2.gz DUVRNORVQLCKFL-UHFFFAOYSA-N 0 0 431.439 5.582 50 0 IKAARN COc1cccc(-c2nn(C)c3sc(C(=O)Nc4cccc(C(F)(F)F)c4)cc23)c1 ZINC000020233280 569357132 /nfs/dbraw/zinc/35/71/32/569357132.db2.gz OFAPFOGCIAWKIA-UHFFFAOYSA-N 0 0 431.439 5.582 50 0 IKAARN O=C(Nc1ccccc1)c1cc2cc3c4c(c2o/c1=N\c1ccccc1)CCCN4CCC3 ZINC000020237273 569357470 /nfs/dbraw/zinc/35/74/70/569357470.db2.gz ADZGBHZQPGWLOV-HYOGKJQXSA-N 0 0 435.527 5.616 50 0 IKAARN C[C@H](NC(=O)[C@H](C)[C@@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O)c1ccccc1 ZINC000020237397 569357484 /nfs/dbraw/zinc/35/74/84/569357484.db2.gz HNXIQXDWQCMWNR-YTZAWJCFSA-N 0 0 448.563 5.347 50 0 IKAARN CCc1ccc(-c2nc(CSCC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000020241266 569357936 /nfs/dbraw/zinc/35/79/36/569357936.db2.gz IWDRLOVRNCPXAW-UHFFFAOYSA-N 0 0 428.985 5.458 50 0 IKAARN CSc1ccc(-c2nc(CSCC(=O)N[C@@H](C)CCc3ccccc3)c(C)o2)cc1 ZINC000020241236 569357889 /nfs/dbraw/zinc/35/78/89/569357889.db2.gz LERHWJOFVOHEKN-KRWDZBQOSA-N 0 0 440.634 5.743 50 0 IKAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cccc(Cl)c3)oc21 ZINC000020285556 569359038 /nfs/dbraw/zinc/35/90/38/569359038.db2.gz AQFJFOQUECNFGX-BZZOAKBMSA-N 0 0 439.920 5.468 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(s2)c2ccccc2nc3Cl)c(Br)c1 ZINC000020286075 569359045 /nfs/dbraw/zinc/35/90/45/569359045.db2.gz QAKBZMFVZCFSAD-UHFFFAOYSA-N 0 0 431.742 6.426 50 0 IKAARN COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cccc(Cl)c3)oc21 ZINC000020285532 569359087 /nfs/dbraw/zinc/35/90/87/569359087.db2.gz LMPLOWPNIUKJMT-GYHWCHFESA-N 0 0 425.893 5.160 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3nc4Cl)CC2)c1C ZINC000020286165 569359225 /nfs/dbraw/zinc/35/92/25/569359225.db2.gz LGSUXSOVWCSFTE-UHFFFAOYSA-N 0 0 435.980 5.682 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)c(Br)c1 ZINC000020321177 569360279 /nfs/dbraw/zinc/36/02/79/569360279.db2.gz LTZFJHDFNSJOMO-UHFFFAOYSA-N 0 0 445.769 6.735 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(c2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020329970 569360755 /nfs/dbraw/zinc/36/07/55/569360755.db2.gz ALRRNYCWBQYIJV-UHFFFAOYSA-N 0 0 440.334 5.227 50 0 IKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)c(C)c1 ZINC000020329187 569360807 /nfs/dbraw/zinc/36/08/07/569360807.db2.gz KWNQPTOQVXGXBB-UHFFFAOYSA-N 0 0 448.567 5.020 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3NC2=O)cc1 ZINC000020355261 569361194 /nfs/dbraw/zinc/36/11/94/569361194.db2.gz JZHRIMGDDQWTGH-PTFSYIGCSA-N 0 0 442.584 5.831 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NC[C@@H](C)c4ccccc4)cc3NC2=O)c1 ZINC000020355286 569361220 /nfs/dbraw/zinc/36/12/20/569361220.db2.gz QPYYSGZKVDAWCR-SDCZFJSOSA-N 0 0 428.557 5.614 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccccc4Cl)cc3NC2=O)c1 ZINC000020355294 569361242 /nfs/dbraw/zinc/36/12/42/569361242.db2.gz ROOLVAXRMLLKNM-WSDLNYQXSA-N 0 0 434.948 5.664 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3NC2=O)c1 ZINC000020355296 569361261 /nfs/dbraw/zinc/36/12/61/569361261.db2.gz VGNAYTALYBFPKV-OEAKJJBVSA-N 0 0 448.975 5.706 50 0 IKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3NC2=O)c1 ZINC000020355283 569361270 /nfs/dbraw/zinc/36/12/70/569361270.db2.gz VFCLEKPISQOCAY-PTFSYIGCSA-N 0 0 442.584 5.831 50 0 IKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc3NC2=O)cc1 ZINC000020355260 569361294 /nfs/dbraw/zinc/36/12/94/569361294.db2.gz VXBFZKQUZJEPDW-IBUSPFOHSA-N 0 0 440.568 5.888 50 0 IKAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)cc1 ZINC000020355619 569361416 /nfs/dbraw/zinc/36/14/16/569361416.db2.gz BNBDDFAZCVUXEP-DVECYGJZSA-N 0 0 438.531 5.018 50 0 IKAARN CCOc1cccc2c1Oc1nc(-c3ccc(OC)c(Br)c3)[nH]c(=S)c1C2 ZINC000020380510 569362508 /nfs/dbraw/zinc/36/25/08/569362508.db2.gz FYOAQWYHHRVDTI-UHFFFAOYSA-N 0 0 445.338 5.299 50 0 IKAARN Cc1ccc(Cn2c3ccccc3c(CNCC[NH+](CC(C)C)CC(C)C)c2C(=O)[O-])cc1 ZINC000020379387 569362524 /nfs/dbraw/zinc/36/25/24/569362524.db2.gz DDRVXYUSRHMRJR-UHFFFAOYSA-N 0 0 449.639 5.400 50 0 IKAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1NCc1ccccc1 ZINC000020382390 569362622 /nfs/dbraw/zinc/36/26/22/569362622.db2.gz PKVYTHAZXYVRAO-UHFFFAOYSA-N 0 0 426.900 5.472 50 0 IKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC[C@H]3C)c2c1 ZINC000020381550 569362658 /nfs/dbraw/zinc/36/26/58/569362658.db2.gz IQPOTCDMUATQBP-OAHLLOKOSA-N 0 0 430.957 5.108 50 0 IKAARN Cc1cc2sc(N3CCC(C(=O)Nc4ccccc4C(F)(F)F)CC3)nc2c(C)c1 ZINC000020383682 569362719 /nfs/dbraw/zinc/36/27/19/569362719.db2.gz YHKMSNSSJJUYPU-UHFFFAOYSA-N 0 0 433.499 5.787 50 0 IKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc2c(C)c1 ZINC000020383789 569362751 /nfs/dbraw/zinc/36/27/51/569362751.db2.gz PENMBSDNENAQST-GOSISDBHSA-N 0 0 428.001 5.142 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4ccc(Cl)cn4)cc32)cc1 ZINC000020385573 569362997 /nfs/dbraw/zinc/36/29/97/569362997.db2.gz LHYVAXSAEXZTAE-UHFFFAOYSA-N 0 0 438.940 5.326 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc32)cc1 ZINC000020385716 569363001 /nfs/dbraw/zinc/36/30/01/569363001.db2.gz YIZLBRLMQGPHGJ-WAOWUJCRSA-N 0 0 437.609 5.580 50 0 IKAARN Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)ccc1Br ZINC000020385041 569363031 /nfs/dbraw/zinc/36/30/31/569363031.db2.gz OTGZJLKFAKDYOT-UHFFFAOYSA-N 0 0 439.334 5.727 50 0 IKAARN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C12CC3CC(CC(C3)C1)C2 ZINC000020385100 569363040 /nfs/dbraw/zinc/36/30/40/569363040.db2.gz QQSCANGJPYZSLB-HDOKVFJDSA-N 0 0 432.589 5.738 50 0 IKAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)N[C@@H](C)CCc4ccco4)cc32)cc1 ZINC000020385967 569363178 /nfs/dbraw/zinc/36/31/78/569363178.db2.gz FDPGILNOVGXRKQ-SFHVURJKSA-N 0 0 449.576 5.370 50 0 IKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1ccccc1Cl)CCCC3 ZINC000020387600 569363229 /nfs/dbraw/zinc/36/32/29/569363229.db2.gz YGLNOQNWBSBOSI-UHFFFAOYSA-N 0 0 430.957 5.418 50 0 IKAARN COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC2(CCCCCC2)O4)c1 ZINC000020388488 569363357 /nfs/dbraw/zinc/36/33/57/569363357.db2.gz DKOJTMILAAQRDT-HXUWFJFHSA-N 0 0 449.547 5.589 50 0 biogenic IKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000095392642 569363452 /nfs/dbraw/zinc/36/34/52/569363452.db2.gz KDRVILQGPRMSDR-SNVBAGLBSA-N 0 0 444.825 5.123 50 0 IKAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000020405384 569363858 /nfs/dbraw/zinc/36/38/58/569363858.db2.gz FOKJNZRLRCXIIV-NRFANRHFSA-N 0 0 446.330 5.145 50 0 IKAARN CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000020411935 569364076 /nfs/dbraw/zinc/36/40/76/569364076.db2.gz FRDOVDLKLQQWCJ-NSPYISDASA-N 0 0 436.291 5.171 50 0 biogenic IKAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000020413698 569364187 /nfs/dbraw/zinc/36/41/87/569364187.db2.gz HKUJLWXIGSTLNF-VANQQJGHSA-N 0 0 439.621 5.372 50 0 IKAARN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000095405009 569364288 /nfs/dbraw/zinc/36/42/88/569364288.db2.gz BPLPCSLVEGMDLZ-IBGZPJMESA-N 0 0 448.588 5.584 50 0 IKAARN FC(F)(F)c1cccc(CSc2nc3ccncc3n2Cc2ccc(Cl)cc2)c1 ZINC000020415476 569364457 /nfs/dbraw/zinc/36/44/57/569364457.db2.gz COUPKFVIGRSWCC-UHFFFAOYSA-N 0 0 433.886 6.444 50 0 IKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020415994 569364663 /nfs/dbraw/zinc/36/46/63/569364663.db2.gz DWVXEOYCNXANDQ-UHFFFAOYSA-N 0 0 444.844 5.896 50 0 IKAARN Cc1c(C(=O)NCc2ccco2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417984 569365169 /nfs/dbraw/zinc/36/51/69/569365169.db2.gz OYYFBUUGUJHATI-VWLOTQADSA-N 0 0 449.890 5.798 50 0 IKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4cc(Cl)ccc4OC)oc3ccc2O1 ZINC000020418264 569365197 /nfs/dbraw/zinc/36/51/97/569365197.db2.gz FXSHHGPWHSVTND-HSZRJFAPSA-N 0 0 427.884 5.789 50 0 IKAARN Cc1c(C(=O)NC2CCCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417973 569365210 /nfs/dbraw/zinc/36/52/10/569365210.db2.gz NFWAXIURCZXSPT-VWLOTQADSA-N 0 0 437.923 5.948 50 0 IKAARN COc1ccc(Cl)cc1N(C)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000020436408 569365473 /nfs/dbraw/zinc/36/54/73/569365473.db2.gz JXMLIGAONLLVPX-UHFFFAOYSA-N 0 0 436.385 6.613 50 0 IKAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1F)c1ccccc1NC(=O)c1ccc(F)cc1F ZINC000095443739 569366812 /nfs/dbraw/zinc/36/68/12/569366812.db2.gz FBCPVCBZNIBULC-QFIPXVFZSA-N 0 0 444.428 5.622 50 0 IKAARN Cc1nn(C)c(NC(=O)N(C)[C@H]2CCc3ccccc32)c1-c1ccc(Br)cc1 ZINC000095446409 569367303 /nfs/dbraw/zinc/36/73/03/569367303.db2.gz BNFAHTLCBMBBLI-IBGZPJMESA-N 0 0 439.357 5.309 50 0 IKAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Br)c1CO ZINC000095451241 569367763 /nfs/dbraw/zinc/36/77/63/569367763.db2.gz VAIFQIMVTORBJA-OAHLLOKOSA-N 0 0 426.310 5.014 50 0 IKAARN CCOC(=O)c1cnc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1 ZINC000095453917 569368195 /nfs/dbraw/zinc/36/81/95/569368195.db2.gz FIUWYLQMZFJAKQ-UHFFFAOYSA-N 0 0 445.450 5.280 50 0 IKAARN Cc1ccccc1Cc1nnc(CN(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)o1 ZINC000095455992 569368680 /nfs/dbraw/zinc/36/86/80/569368680.db2.gz XKOBCKINDDEJTQ-HXUWFJFHSA-N 0 0 437.547 5.501 50 0 IKAARN CCCC(=O)N1CCC(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000095458918 569369177 /nfs/dbraw/zinc/36/91/77/569369177.db2.gz JROYXEBDYTVEOX-CTNGQTDRSA-N 0 0 438.534 5.277 50 0 IKAARN COc1ccc(-n2c(SCc3nnc(C)s3)nnc2-c2ccccc2Cl)cc1 ZINC000095459393 569369503 /nfs/dbraw/zinc/36/95/03/569369503.db2.gz ZDZFEPQTFWPMNG-UHFFFAOYSA-N 0 0 429.958 5.049 50 0 IKAARN Cc1ccc(C(C)C)cc1OCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21 ZINC000095464588 569370513 /nfs/dbraw/zinc/37/05/13/569370513.db2.gz NSGMXZWDVVESAT-UHFFFAOYSA-N 0 0 445.563 5.503 50 0 IKAARN NC(=O)NCc1ccc(NCc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000095467767 569371237 /nfs/dbraw/zinc/37/12/37/569371237.db2.gz JUJUTWXNCUSWQT-UHFFFAOYSA-N 0 0 445.954 5.032 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1NCc1cccc(Br)c1)N1CCCCC1 ZINC000095471187 569371858 /nfs/dbraw/zinc/37/18/58/569371858.db2.gz KABFOVGFTYRPIT-UHFFFAOYSA-N 0 0 442.332 5.375 50 0 IKAARN CC(C)n1ccc2c1cccc2NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000095472139 569372145 /nfs/dbraw/zinc/37/21/45/569372145.db2.gz YDLRQYWTGGIQBA-UHFFFAOYSA-N 0 0 445.972 5.058 50 0 IKAARN COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccc3ccccc3c2)cc(=O)c1O ZINC000095472684 569372162 /nfs/dbraw/zinc/37/21/62/569372162.db2.gz YPDVOGPINOCLIW-LJQANCHMSA-N 0 0 436.485 5.079 50 0 IKAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c(C)c1 ZINC000095481960 569374151 /nfs/dbraw/zinc/37/41/51/569374151.db2.gz IHCZZPXPQNPUJF-UHFFFAOYSA-N 0 0 449.580 5.352 50 0 IKAARN Cc1cccc(-c2nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3nc2-c2cccc(C)c2)c1 ZINC000020616482 569374635 /nfs/dbraw/zinc/37/46/35/569374635.db2.gz UPMPUUDYKRPKAE-QHCPKHFHSA-N 0 0 437.543 5.489 50 0 IKAARN C[C@@H]1CCC[C@H](NC(=O)c2cccc(-n3c(=O)c4ccc(Cl)cc4[nH]c3=S)c2)[C@@H]1C ZINC000020645466 569374853 /nfs/dbraw/zinc/37/48/53/569374853.db2.gz OHPBGKCMMZDNTR-LPMFXHHGSA-N 0 0 441.984 5.256 50 0 IKAARN Cn1cc(C(=O)c2ccccc2)cc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095933045 569375222 /nfs/dbraw/zinc/37/52/22/569375222.db2.gz OWFKCRRLJZKCAQ-UHFFFAOYSA-N 0 0 449.598 5.163 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000095945223 569375752 /nfs/dbraw/zinc/37/57/52/569375752.db2.gz VDOSDLIGYIAFKI-JOCHJYFZSA-N 0 0 438.886 5.488 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000095945309 569375779 /nfs/dbraw/zinc/37/57/79/569375779.db2.gz JJWGDMMZJPPABL-QFIPXVFZSA-N 0 0 438.886 5.488 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(Cl)c(F)c3)C2)c(OC)c1 ZINC000095945167 569375841 /nfs/dbraw/zinc/37/58/41/569375841.db2.gz VDVCXAFGYOENFH-LJQANCHMSA-N 0 0 428.847 5.081 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@@H]1c1cccc(C)c1 ZINC000095945889 569375864 /nfs/dbraw/zinc/37/58/64/569375864.db2.gz GFZDUAXEBOYDFK-RUZDIDTESA-N 0 0 435.527 5.510 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C)cc2)C[C@@H]1c1cccc(C)c1 ZINC000095945938 569375959 /nfs/dbraw/zinc/37/59/59/569375959.db2.gz SAVBLEXTWZGEDP-RUZDIDTESA-N 0 0 449.554 5.900 50 0 IKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000021089488 569376073 /nfs/dbraw/zinc/37/60/73/569376073.db2.gz DHHAYFKDGMESMI-UHFFFAOYSA-N 0 0 440.886 7.193 50 0 IKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2nc(-c3ccccc3)no2)Cc2ccccc2)c1 ZINC000095947047 569376237 /nfs/dbraw/zinc/37/62/37/569376237.db2.gz UELGZRKZPODFFP-LJQANCHMSA-N 0 0 426.520 5.458 50 0 IKAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(C2SCCCS2)cc1 ZINC000095976457 569377679 /nfs/dbraw/zinc/37/76/79/569377679.db2.gz UFGXDMGNXYYWEQ-UHFFFAOYSA-N 0 0 444.622 5.790 50 0 IKAARN CC(=O)N(c1nc(COc2ccc(Cl)cc2C(F)(F)F)cs1)c1ccccc1 ZINC000095997452 569378943 /nfs/dbraw/zinc/37/89/43/569378943.db2.gz MTZOYTYDNFWIOW-UHFFFAOYSA-N 0 0 426.847 6.079 50 0 IKAARN CC(C)COc1ccc(NC(=O)c2cn(C(C)(C)C)nc2Br)cc1Cl ZINC000096001708 569379044 /nfs/dbraw/zinc/37/90/44/569379044.db2.gz RKDQFXMWMQWDCF-UHFFFAOYSA-N 0 0 428.758 5.341 50 0 IKAARN Cc1cccc([C@@H](N(Cc2ccccc2)C(=O)CCNC(=O)c2ccco2)C(F)(F)F)c1 ZINC000096003461 569379269 /nfs/dbraw/zinc/37/92/69/569379269.db2.gz VYDHDXADRVTJAA-JOCHJYFZSA-N 0 0 444.453 5.040 50 0 IKAARN O=C(Nc1ccccc1NCCc1ccccc1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000096011771 569379864 /nfs/dbraw/zinc/37/98/64/569379864.db2.gz DBHOXSXCGZSBAQ-SANMLTNESA-N 0 0 427.548 5.034 50 0 IKAARN O=C(Nc1ccccc1NCCc1ccccc1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000096011770 569379892 /nfs/dbraw/zinc/37/98/92/569379892.db2.gz DBHOXSXCGZSBAQ-AREMUKBSSA-N 0 0 427.548 5.034 50 0 IKAARN O=C(Nc1cccnc1Cl)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000096012629 569380120 /nfs/dbraw/zinc/38/01/20/569380120.db2.gz UVTPXMMENJGDDU-LJQANCHMSA-N 0 0 449.860 5.522 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000096012661 569380191 /nfs/dbraw/zinc/38/01/91/569380191.db2.gz JGEFPMUIBHSIMO-AWEZNQCLSA-N 0 0 430.217 5.041 50 0 IKAARN CCC[C@]1(C)CCCN(C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000096035297 569380933 /nfs/dbraw/zinc/38/09/33/569380933.db2.gz WOIJTCTXPCTJSQ-WNFFGTKGSA-N 0 0 426.557 5.321 50 0 IKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(C)cc2)C(=O)Nc2ccccc2Cl)cc1 ZINC000096095858 569381003 /nfs/dbraw/zinc/38/10/03/569381003.db2.gz KFCDHEYONLZCHU-BWAHOGKJSA-N 0 0 446.978 6.401 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1 ZINC000096096055 569381093 /nfs/dbraw/zinc/38/10/93/569381093.db2.gz XVPAFSUMCMTZNS-STZFKDTASA-N 0 0 432.476 5.315 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096096144 569381202 /nfs/dbraw/zinc/38/12/02/569381202.db2.gz RJSLBMVNQUXJBW-ZIQUOCRMSA-N 0 0 429.442 5.672 50 0 IKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000096097164 569381370 /nfs/dbraw/zinc/38/13/70/569381370.db2.gz SDLAXJJGFDSLFK-UHFFFAOYSA-N 0 0 449.304 5.122 50 0 IKAARN O=c1c2sc3ncccc3c2nc(SCc2cc(F)ccc2F)n1Cc1ccco1 ZINC000096097157 569381388 /nfs/dbraw/zinc/38/13/88/569381388.db2.gz QXFRHMFPEBPGGN-UHFFFAOYSA-N 0 0 441.484 5.218 50 0 IKAARN COC1CCN(c2ccc(NC(=O)CCc3cccc(Oc4ccc(F)cc4)c3)cc2)CC1 ZINC000096104489 569382277 /nfs/dbraw/zinc/38/22/77/569382277.db2.gz PNFXEWTWHPIYAN-UHFFFAOYSA-N 0 0 448.538 5.805 50 0 IKAARN COc1ccc(C2(C(=O)N[C@@H]3CCCc4c5cccc(Cl)c5[nH]c43)CCOCC2)cc1 ZINC000096114671 569382858 /nfs/dbraw/zinc/38/28/58/569382858.db2.gz IMXUHUCCCXSVBG-OAQYLSRUSA-N 0 0 438.955 5.072 50 0 biogenic IKAARN CC(=O)Nc1cccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 ZINC000096114745 569383064 /nfs/dbraw/zinc/38/30/64/569383064.db2.gz NDIZVGGHJLWZBP-UHFFFAOYSA-N 0 0 446.503 5.303 50 0 biogenic IKAARN CC(C)Oc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000096115369 569383248 /nfs/dbraw/zinc/38/32/48/569383248.db2.gz YJVPGCBTCMTAJV-DHLKQENFSA-N 0 0 441.483 5.112 50 0 biogenic IKAARN Cc1oc2c(cc3c(C)c(CCC(=O)Nc4cccc5[nH]ccc54)c(=O)oc3c2C)c1C ZINC000096116203 569383683 /nfs/dbraw/zinc/38/36/83/569383683.db2.gz HNWWFDGHICATMM-UHFFFAOYSA-N 0 0 428.488 5.825 50 0 biogenic IKAARN COc1cc(-c2coc3ccc(OCc4ccc(C(C)C)cc4)cc23)cc(OC)c1OC ZINC000096116503 569383848 /nfs/dbraw/zinc/38/38/48/569383848.db2.gz RCNSDYJMFOYEIO-UHFFFAOYSA-N 0 0 432.516 6.828 50 0 biogenic IKAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000096116785 569383912 /nfs/dbraw/zinc/38/39/12/569383912.db2.gz VSDKNURJXFKBEG-VFNWGFHPSA-N 0 0 437.565 5.354 50 0 IKAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000096116786 569383918 /nfs/dbraw/zinc/38/39/18/569383918.db2.gz VSDKNURJXFKBEG-BTYIYWSLSA-N 0 0 437.565 5.354 50 0 IKAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117406 569384085 /nfs/dbraw/zinc/38/40/85/569384085.db2.gz WYKUGNAGJSYPGW-CJNGLKHVSA-N 0 0 441.475 5.091 50 0 IKAARN CC[C@@H](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000096117682 569384214 /nfs/dbraw/zinc/38/42/14/569384214.db2.gz ALFQBIROTOVSQJ-LPDWVNCESA-N 0 0 434.624 5.050 50 0 IKAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119107 569384704 /nfs/dbraw/zinc/38/47/04/569384704.db2.gz JMMFMIMAFABKHM-HXUWFJFHSA-N 0 0 444.560 5.477 50 0 IKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119637 569384713 /nfs/dbraw/zinc/38/47/13/569384713.db2.gz MUKWSDOWIPOKFH-UHFFFAOYSA-N 0 0 448.910 5.172 50 0 IKAARN CC(C)Sc1ccc(CC(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1 ZINC000096119691 569384775 /nfs/dbraw/zinc/38/47/75/569384775.db2.gz HWNHHHABWQSYFH-UHFFFAOYSA-N 0 0 433.533 5.602 50 0 IKAARN CC(=O)N(c1nc(COC(=O)/C=C\c2ccc(C)s2)cs1)c1ccc(C)c(C)c1 ZINC000096124570 569385530 /nfs/dbraw/zinc/38/55/30/569385530.db2.gz HYTKDTSILBMQNH-KTKRTIGZSA-N 0 0 426.563 5.571 50 0 IKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4noc5ccccc45)cc3)sc2c1 ZINC000096124217 569385553 /nfs/dbraw/zinc/38/55/53/569385553.db2.gz IOWNTNULCASIQD-UHFFFAOYSA-N 0 0 435.530 5.355 50 0 IKAARN O=C(CCNc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)cc1 ZINC000096136871 569385828 /nfs/dbraw/zinc/38/58/28/569385828.db2.gz JZXKPTWHBRQODD-UHFFFAOYSA-N 0 0 437.362 6.411 50 0 IKAARN CCn1ccc2cc(NC(=O)/C=C\c3csc(N(C(C)=O)c4ccccc4F)n3)ccc21 ZINC000096134128 569385832 /nfs/dbraw/zinc/38/58/32/569385832.db2.gz ZWEQAOSFXBAEMG-LUAWRHEFSA-N 0 0 448.523 5.593 50 0 IKAARN CCC(CC)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000096203318 569386363 /nfs/dbraw/zinc/38/63/63/569386363.db2.gz QCTLVJSIZHIVCS-UHFFFAOYSA-N 0 0 448.394 5.331 50 0 IKAARN O=C(Oc1cccc(C(F)(F)F)c1)c1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000096196300 569386369 /nfs/dbraw/zinc/38/63/69/569386369.db2.gz SSCPUGXOCAVZFZ-UHFFFAOYSA-N 0 0 427.300 6.131 50 0 IKAARN O=C(c1ccco1)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000096203910 569386509 /nfs/dbraw/zinc/38/65/09/569386509.db2.gz BNAGDPDKMJOXAH-LJQANCHMSA-N 0 0 446.400 5.273 50 0 IKAARN COc1ccc2c(C)c(CCC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)c(=O)oc2c1C ZINC000096221598 569386878 /nfs/dbraw/zinc/38/68/78/569386878.db2.gz BVOGNRVYHQHJAS-JOCHJYFZSA-N 0 0 444.531 5.026 50 0 biogenic IKAARN O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096222252 569387226 /nfs/dbraw/zinc/38/72/26/569387226.db2.gz YYFFFGVCFMDVLV-OAHLLOKOSA-N 0 0 438.357 5.024 50 0 biogenic IKAARN Cn1c(CCCNC(=O)CC2(n3cccc3)CCC(C(C)(C)C)CC2)nc2ccccc21 ZINC000096232286 569387727 /nfs/dbraw/zinc/38/77/27/569387727.db2.gz FOMYCKIOLAKXKC-UHFFFAOYSA-N 0 0 434.628 5.446 50 0 IKAARN CCCCCCc1ccc(C(=O)N(CCC(C)C)CC(=O)Nc2ncc(C)s2)cc1 ZINC000096274242 569388128 /nfs/dbraw/zinc/38/81/28/569388128.db2.gz GPJGZFIJPWWQAD-UHFFFAOYSA-N 0 0 429.630 5.701 50 0 IKAARN CC(C)CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000096275820 569388383 /nfs/dbraw/zinc/38/83/83/569388383.db2.gz BEXWYPROSSWKJG-UHFFFAOYSA-N 0 0 437.971 5.829 50 0 IKAARN O=C(C1CCC1)N(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)CCc1ccccc1 ZINC000096276091 569388496 /nfs/dbraw/zinc/38/84/96/569388496.db2.gz UYAOPYZGUOUIGI-UHFFFAOYSA-N 0 0 443.469 5.169 50 0 IKAARN COc1ccc2[nH]cc([C@H](CC(=O)NCc3ccccc3)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000096276497 569388534 /nfs/dbraw/zinc/38/85/34/569388534.db2.gz AQVLNZRNOJQAFU-XMMPIXPASA-N 0 0 440.587 6.312 50 0 IKAARN CC(C)CC(=O)N(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)CCc1ccccc1 ZINC000096276175 569388536 /nfs/dbraw/zinc/38/85/36/569388536.db2.gz DWJYRJITKYLVFC-UHFFFAOYSA-N 0 0 445.485 5.415 50 0 IKAARN COc1ccc(Cn2cc([C@H](CC(=O)NCC(C)C)C3CCCCC3)c3ccccc32)cc1 ZINC000096276917 569388640 /nfs/dbraw/zinc/38/86/40/569388640.db2.gz KLHYMKJBZYVWBJ-AREMUKBSSA-N 0 0 446.635 6.524 50 0 IKAARN CC(C)(C)c1ccc([C@H](CC(=O)NCc2ccco2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096276731 569388656 /nfs/dbraw/zinc/38/86/56/569388656.db2.gz ZQJCAXDBMWRJMV-NRFANRHFSA-N 0 0 434.967 6.550 50 0 IKAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)C1CCCCC1 ZINC000096277123 569388743 /nfs/dbraw/zinc/38/87/43/569388743.db2.gz LNMMASYWOCYLSI-RUZDIDTESA-N 0 0 448.607 5.515 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)NCc4ccccc4)cc3c2)cc1 ZINC000096277445 569388768 /nfs/dbraw/zinc/38/87/68/569388768.db2.gz RNFHNKXHDTXABO-UHFFFAOYSA-N 0 0 425.532 5.648 50 0 IKAARN O=C(c1ccco1)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1 ZINC000096277831 569388865 /nfs/dbraw/zinc/38/88/65/569388865.db2.gz CTVFMQRTCPFSJE-UHFFFAOYSA-N 0 0 444.329 5.110 50 0 IKAARN Cc1ccc(C(=O)N(CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)c2ccccc2)cc1 ZINC000096277839 569388868 /nfs/dbraw/zinc/38/88/68/569388868.db2.gz FPQYACIPWLIJMJ-LJQANCHMSA-N 0 0 445.950 6.145 50 0 IKAARN COc1cc(OC)cc([C@H](CC(=O)NCc2ccncc2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096278041 569388985 /nfs/dbraw/zinc/38/89/85/569388985.db2.gz QKMPRAPZICMGCX-NRFANRHFSA-N 0 0 449.938 5.072 50 0 IKAARN C[C@H](c1ccccc1)N(CCc1nc(-c2ccc(N(C)C)cc2)no1)C(=O)c1cccs1 ZINC000096278122 569389011 /nfs/dbraw/zinc/38/90/11/569389011.db2.gz MWADDNVLERHYMV-GOSISDBHSA-N 0 0 446.576 5.310 50 0 IKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)N1CCOCC1 ZINC000096278562 569389066 /nfs/dbraw/zinc/38/90/66/569389066.db2.gz UFZHLSKYRNMQCV-VWLOTQADSA-N 0 0 430.592 5.602 50 0 IKAARN CCCCn1c(C(=O)NCC(C)C)cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000096278643 569389106 /nfs/dbraw/zinc/38/91/06/569389106.db2.gz LBRDMHCMSXOGKP-UHFFFAOYSA-N 0 0 447.623 6.377 50 0 IKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1C(F)(F)F ZINC000096279182 569389292 /nfs/dbraw/zinc/38/92/92/569389292.db2.gz XYOABYWVHBGKQT-UHFFFAOYSA-N 0 0 430.813 6.728 50 0 IKAARN COCCNC(=O)[C@H](C)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl ZINC000096279245 569389312 /nfs/dbraw/zinc/38/93/12/569389312.db2.gz PHJCKTDFHNJHPE-INIZCTEOSA-N 0 0 429.973 5.061 50 0 IKAARN COc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2c(cccc2C)o1 ZINC000096279319 569389329 /nfs/dbraw/zinc/38/93/29/569389329.db2.gz XKAUDDPEUXIAIK-UHFFFAOYSA-N 0 0 429.881 5.233 50 0 IKAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(C(=O)CC(C)(C)C)C1CCCCC1 ZINC000096279339 569389360 /nfs/dbraw/zinc/38/93/60/569389360.db2.gz IKKDKIVVWZSQMU-UHFFFAOYSA-N 0 0 441.660 5.979 50 0 IKAARN Cc1cccc(Cn2c(C(=O)NCc3ccco3)cc3scc(Br)c32)c1 ZINC000096280406 569389548 /nfs/dbraw/zinc/38/95/48/569389548.db2.gz QFTGYJIEBRXXPX-UHFFFAOYSA-N 0 0 429.339 5.345 50 0 IKAARN O=C(NCc1ccccc1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1 ZINC000096280355 569389551 /nfs/dbraw/zinc/38/95/51/569389551.db2.gz RNTVLCKGZGNQRW-UHFFFAOYSA-N 0 0 443.341 5.583 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OCc4cccc(C)c4)c(OC)c3)no2)cc1OC ZINC000096280736 569389689 /nfs/dbraw/zinc/38/96/89/569389689.db2.gz KSKMTMPPACYBAQ-UHFFFAOYSA-N 0 0 432.476 5.317 50 0 IKAARN COc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1OCc1ccc(F)c(F)c1 ZINC000096280746 569389700 /nfs/dbraw/zinc/38/97/00/569389700.db2.gz VHXNHVZVDFWNRR-UHFFFAOYSA-N 0 0 428.822 5.923 50 0 IKAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 ZINC000096281152 569389761 /nfs/dbraw/zinc/38/97/61/569389761.db2.gz FXVWGOSNUYSKQL-UIOOFZCWSA-N 0 0 448.607 5.035 50 0 IKAARN O=C(Nc1cccc(Cl)c1)c1csc(CN2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000096281107 569389775 /nfs/dbraw/zinc/38/97/75/569389775.db2.gz AQMZMAHLOZRBFP-UHFFFAOYSA-N 0 0 447.391 5.024 50 0 IKAARN COc1cc(-c2nc(-c3cccc(OCc4ccc(C)cc4)c3)no2)cc(OC)c1OC ZINC000096281027 569389828 /nfs/dbraw/zinc/38/98/28/569389828.db2.gz GCKQAWACIYOXRP-UHFFFAOYSA-N 0 0 432.476 5.317 50 0 IKAARN COc1ccc(NC(=O)c2cccs2)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000096281788 569390045 /nfs/dbraw/zinc/39/00/45/569390045.db2.gz FGTZIUUSPBYTQG-UHFFFAOYSA-N 0 0 435.549 5.150 50 0 IKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)NCc4ccccc4)c3)C2=O)c1 ZINC000096281738 569390077 /nfs/dbraw/zinc/39/00/77/569390077.db2.gz VNCYTBIAFWPBQM-UHFFFAOYSA-N 0 0 442.563 5.457 50 0 IKAARN Cc1ccc(CN2CCc3nc(N4CCC(C)CC4)nc(Oc4ccc(F)cc4)c3C2)cc1 ZINC000096281816 569390131 /nfs/dbraw/zinc/39/01/31/569390131.db2.gz ASWVTKONHRQGKP-UHFFFAOYSA-N 0 0 446.570 5.511 50 0 IKAARN CC(C)NC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3cc4ccccc4s3)cn21 ZINC000096287279 569390297 /nfs/dbraw/zinc/39/02/97/569390297.db2.gz JXOPAWUIAWEUIH-UHFFFAOYSA-N 0 0 439.584 6.340 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)c1 ZINC000096287018 569390314 /nfs/dbraw/zinc/39/03/14/569390314.db2.gz HGXOBXRZOGSHNW-UHFFFAOYSA-N 0 0 429.545 5.245 50 0 IKAARN O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)N1CCCC1 ZINC000096287556 569390323 /nfs/dbraw/zinc/39/03/23/569390323.db2.gz RECYCKRSFCAWQW-XMMPIXPASA-N 0 0 444.525 6.112 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)NCc2ccco2)CC(C)C)n1 ZINC000096287294 569390328 /nfs/dbraw/zinc/39/03/28/569390328.db2.gz LZKAINYQTAHXMB-UHFFFAOYSA-N 0 0 449.382 5.261 50 0 IKAARN CCCNC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3cc4ccccc4s3)cn21 ZINC000096287293 569390351 /nfs/dbraw/zinc/39/03/51/569390351.db2.gz VJVAYHZUUGCPKQ-UHFFFAOYSA-N 0 0 439.584 6.342 50 0 IKAARN COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CCC(=O)Nc2ccccc2)c1 ZINC000096288275 569390414 /nfs/dbraw/zinc/39/04/14/569390414.db2.gz CJFQPDVVCLTTJZ-UHFFFAOYSA-N 0 0 447.538 6.248 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2C(=O)NC2CC2)nnc1-c1ccco1 ZINC000096288725 569390444 /nfs/dbraw/zinc/39/04/44/569390444.db2.gz VFQRDEVDIVYLRF-UHFFFAOYSA-N 0 0 430.533 5.020 50 0 IKAARN CCCNC(=O)Cn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096288761 569390545 /nfs/dbraw/zinc/39/05/45/569390545.db2.gz PNNHXKXWMAJKDM-UHFFFAOYSA-N 0 0 445.177 5.767 50 0 IKAARN Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CCC(=O)NC4CC4)n3c2)c1 ZINC000096289025 569390550 /nfs/dbraw/zinc/39/05/50/569390550.db2.gz ZTNYUZJBMYKIAD-UHFFFAOYSA-N 0 0 429.951 5.841 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccccc2C(=O)N2CCCC2)nnc1-c1ccco1 ZINC000096288745 569390560 /nfs/dbraw/zinc/39/05/60/569390560.db2.gz KKBSAPKOIKEMFJ-UHFFFAOYSA-N 0 0 444.560 5.364 50 0 IKAARN Cc1ccc(F)c([C@@H](CC(=O)NC[C@H]2COc3ccccc3O2)c2c[nH]c3ccccc32)c1 ZINC000096289140 569390562 /nfs/dbraw/zinc/39/05/62/569390562.db2.gz LZNABOMMMKPDKN-AZUAARDMSA-N 0 0 444.506 5.094 50 0 IKAARN Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CCC(=O)NC(C)C)n3c2)c1 ZINC000096289042 569390570 /nfs/dbraw/zinc/39/05/70/569390570.db2.gz RSOGPTOTEFGZMN-UHFFFAOYSA-N 0 0 431.967 6.087 50 0 IKAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)NCC(C)C)Cc2ccco2)n1 ZINC000096288781 569390584 /nfs/dbraw/zinc/39/05/84/569390584.db2.gz YKZHVMBHAWJSGO-UHFFFAOYSA-N 0 0 449.382 5.261 50 0 IKAARN CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)N4CCCC4)n3c2)c1 ZINC000096289192 569390665 /nfs/dbraw/zinc/39/06/65/569390665.db2.gz AESQUWHJMWVNSV-UHFFFAOYSA-N 0 0 439.559 5.622 50 0 IKAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(C(=O)CC(C)C)C(C)C)cc1 ZINC000096289429 569390678 /nfs/dbraw/zinc/39/06/78/569390678.db2.gz YHMOZIMQBPNCNF-UHFFFAOYSA-N 0 0 437.989 5.199 50 0 IKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000096289504 569390694 /nfs/dbraw/zinc/39/06/94/569390694.db2.gz NAZDPPAWQAWFPR-OAHLLOKOSA-N 0 0 442.346 5.713 50 0 IKAARN O=C(Cc1ccc(F)cc1)N[C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096290230 569390761 /nfs/dbraw/zinc/39/07/61/569390761.db2.gz NENQZSDDDOTVJF-OAQYLSRUSA-N 0 0 435.886 5.172 50 0 IKAARN CC(C)CNC(=O)c1ccccc1CSc1nnc(C(C)C)n1-c1ccccc1F ZINC000096290994 569390971 /nfs/dbraw/zinc/39/09/71/569390971.db2.gz DCISNXJVLXJXRM-UHFFFAOYSA-N 0 0 426.561 5.208 50 0 IKAARN O=C(Cn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NCc1ccco1 ZINC000096290925 569390977 /nfs/dbraw/zinc/39/09/77/569390977.db2.gz MRBPTUNWAFAQLF-UHFFFAOYSA-N 0 0 448.737 5.497 50 0 IKAARN CC(C)CNC(=O)[C@@H](C)n1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291117 569391090 /nfs/dbraw/zinc/39/10/90/569391090.db2.gz YHORIZIKUUPNGI-CYBMUJFWSA-N 0 0 438.786 5.921 50 0 IKAARN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)NCc2ccco2)c1 ZINC000096291924 569391209 /nfs/dbraw/zinc/39/12/09/569391209.db2.gz CPSFXHVMQYDACY-UHFFFAOYSA-N 0 0 428.319 5.152 50 0 IKAARN CC[C@H](C(=O)N1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096291987 569391223 /nfs/dbraw/zinc/39/12/23/569391223.db2.gz PPVVSFFYNNRYOA-LJQANCHMSA-N 0 0 434.342 5.647 50 0 IKAARN CCCC1=NS(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc2N1c1ccccc1 ZINC000096292815 569391332 /nfs/dbraw/zinc/39/13/32/569391332.db2.gz VAAKDLDWZGGDGO-UHFFFAOYSA-N 0 0 433.533 5.286 50 0 IKAARN COc1ccc(-c2noc(CCN(C(=O)c3cccc(F)c3)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096293147 569391441 /nfs/dbraw/zinc/39/14/41/569391441.db2.gz QRRZGLAYXKQGNX-SFHVURJKSA-N 0 0 445.494 5.330 50 0 IKAARN Cc1ccc(-c2noc(CCN(C(=O)c3ccccc3Cl)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096293009 569391448 /nfs/dbraw/zinc/39/14/48/569391448.db2.gz UIRXIDLLYSFCOL-IBGZPJMESA-N 0 0 445.950 6.145 50 0 IKAARN CC[C@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096293504 569391507 /nfs/dbraw/zinc/39/15/07/569391507.db2.gz ZBQXCNXYKVPJDY-HNNXBMFYSA-N 0 0 447.457 5.247 50 0 IKAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293308 569391573 /nfs/dbraw/zinc/39/15/73/569391573.db2.gz YWZIXOFCFIUTAY-YVEFUNNKSA-N 0 0 437.849 5.926 50 0 IKAARN O=C(CCc1ccccc1)N(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000096293323 569391585 /nfs/dbraw/zinc/39/15/85/569391585.db2.gz GMPUKQBXSGYJQQ-UHFFFAOYSA-N 0 0 437.971 5.727 50 0 IKAARN CC[C@@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096293545 569391668 /nfs/dbraw/zinc/39/16/68/569391668.db2.gz SBVSLHDLYJTQAZ-VFNWGFHPSA-N 0 0 427.932 5.119 50 0 IKAARN CCOc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)ccc1Cl ZINC000096305713 569392173 /nfs/dbraw/zinc/39/21/73/569392173.db2.gz QLBDTPQMQNKOLV-UHFFFAOYSA-N 0 0 432.712 5.361 50 0 IKAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)o2)cc1C ZINC000096322712 569394766 /nfs/dbraw/zinc/39/47/66/569394766.db2.gz XHWSASYDCNDJDW-UHFFFAOYSA-N 0 0 428.897 5.241 50 0 IKAARN Cc1ccccc1CS(=O)(=O)Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000096322753 569394859 /nfs/dbraw/zinc/39/48/59/569394859.db2.gz FKIOVIWRPJSNKB-UHFFFAOYSA-N 0 0 428.897 5.073 50 0 IKAARN CCc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)c(Cl)c4)o3)n2)cc1 ZINC000096322775 569394878 /nfs/dbraw/zinc/39/48/78/569394878.db2.gz KWBYHJVWZDOPKW-UHFFFAOYSA-N 0 0 442.924 5.495 50 0 IKAARN CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4C)o3)n2)cc1 ZINC000096322730 569394907 /nfs/dbraw/zinc/39/49/07/569394907.db2.gz SXHHPMRMCYCZHA-UHFFFAOYSA-N 0 0 440.546 5.309 50 0 IKAARN CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4C)o3)n2)cc1 ZINC000096322755 569394936 /nfs/dbraw/zinc/39/49/36/569394936.db2.gz NJZCEZSVOGIWMG-UHFFFAOYSA-N 0 0 440.546 5.142 50 0 IKAARN O=C(C[C@H]1COc2cc(F)ccc2N1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000096322991 569395007 /nfs/dbraw/zinc/39/50/07/569395007.db2.gz FNDDNGWGHRMVFO-SFHVURJKSA-N 0 0 433.508 5.232 50 0 IKAARN Cc1cccc(N2CCN(C(=O)c3cc4occc4c(Nc4ccc(F)cc4)n3)CC2)c1C ZINC000096323660 569395347 /nfs/dbraw/zinc/39/53/47/569395347.db2.gz UEROZIWZRFIEDX-UHFFFAOYSA-N 0 0 444.510 5.290 50 0 IKAARN Cc1noc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(C)s2)c1C ZINC000096323541 569395397 /nfs/dbraw/zinc/39/53/97/569395397.db2.gz YNBYEBHCEROOKB-UHFFFAOYSA-N 0 0 441.372 5.200 50 0 IKAARN Cc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(Cl)cc5)nn43)C2)c(C)c1 ZINC000096323786 569395508 /nfs/dbraw/zinc/39/55/08/569395508.db2.gz YKODCJQJVJDGCE-UHFFFAOYSA-N 0 0 437.956 5.318 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)N1CCc2c(sc3nc(-c4ccc(F)cc4)nn32)C1 ZINC000096323819 569395513 /nfs/dbraw/zinc/39/55/13/569395513.db2.gz QJXKFGOWKBQKNA-UHFFFAOYSA-N 0 0 441.919 5.149 50 0 IKAARN Cc1ccc(C)c(NC(=O)N2CCc3c(sc4nc(-c5ccc(Cl)cc5)nn43)C2)c1 ZINC000096323780 569395523 /nfs/dbraw/zinc/39/55/23/569395523.db2.gz OANNHSLTIXIBEW-UHFFFAOYSA-N 0 0 437.956 5.318 50 0 IKAARN COc1ccc(-n2cc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc3c2=O)cc1OC ZINC000096324298 569395809 /nfs/dbraw/zinc/39/58/09/569395809.db2.gz NRPBMMVZCDPCSG-UHFFFAOYSA-N 0 0 439.471 5.033 50 0 IKAARN COc1cccc(-n2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)c1 ZINC000096324273 569395846 /nfs/dbraw/zinc/39/58/46/569395846.db2.gz YUQUOVDRSJQLNX-UHFFFAOYSA-N 0 0 429.863 5.370 50 0 IKAARN O=C(NCC1(Sc2ccccc2)CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000096331383 569396335 /nfs/dbraw/zinc/39/63/35/569396335.db2.gz SIZAQCMDEUSOTO-UHFFFAOYSA-N 0 0 432.589 5.417 50 0 IKAARN COC(=O)C[C@H](c1ccc(Cl)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O ZINC000096335860 569396625 /nfs/dbraw/zinc/39/66/25/569396625.db2.gz MERDHOXMXBDHQT-GOSISDBHSA-N 0 0 448.899 5.125 50 0 IKAARN C[C@H](NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1)c1nc2ccccc2[nH]1 ZINC000096345306 569397111 /nfs/dbraw/zinc/39/71/11/569397111.db2.gz MLQZFZYFTOXQGC-XJKSGUPXSA-N 0 0 432.351 5.259 50 0 IKAARN O=C(CSc1nc2ccccc2o1)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096358088 569397373 /nfs/dbraw/zinc/39/73/73/569397373.db2.gz RPVDMLVSUKONHT-UHFFFAOYSA-N 0 0 448.529 5.261 50 0 IKAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc(-n2cccc2)cc1 ZINC000096358073 569397385 /nfs/dbraw/zinc/39/73/85/569397385.db2.gz FKLFNXMXJPRZOJ-UHFFFAOYSA-N 0 0 426.501 5.432 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nccnc2N2CCCC2)c1 ZINC000096386526 569398672 /nfs/dbraw/zinc/39/86/72/569398672.db2.gz CXWBAASYSWQPTR-UHFFFAOYSA-N 0 0 427.430 5.407 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(-c2nccnc2N2CCSCC2)c1 ZINC000096386636 569398675 /nfs/dbraw/zinc/39/86/75/569398675.db2.gz AYMVLLIBFBLGFW-UHFFFAOYSA-N 0 0 439.972 5.303 50 0 IKAARN O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc1ccc(Cl)cc1F ZINC000096386644 569398677 /nfs/dbraw/zinc/39/86/77/569398677.db2.gz IUNAHCUOPBAMDC-UHFFFAOYSA-N 0 0 443.935 5.133 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386575 569398678 /nfs/dbraw/zinc/39/86/78/569398678.db2.gz SMAJTFZWYWICMH-UHFFFAOYSA-N 0 0 441.457 5.797 50 0 IKAARN O=C(Nc1cccc(-c2nccnc2N2CCCC2)c1)Nc1cc(Cl)ccc1Cl ZINC000096386545 569398682 /nfs/dbraw/zinc/39/86/82/569398682.db2.gz PJQSYDBFMYOXSL-UHFFFAOYSA-N 0 0 428.323 5.695 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)cc4C)c(C)o3)cc2)cc1 ZINC000096397316 569399418 /nfs/dbraw/zinc/39/94/18/569399418.db2.gz CBLRQGCYPGBGKO-UHFFFAOYSA-N 0 0 430.508 5.163 50 0 IKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc(Cn3cc(C)cn3)c(C)o2)cc1 ZINC000096397243 569399480 /nfs/dbraw/zinc/39/94/80/569399480.db2.gz YQKGNDHNJOLCJJ-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 IKAARN COc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)c(C)c4C)c(C)o3)cc2)cc1 ZINC000096397363 569399568 /nfs/dbraw/zinc/39/95/68/569399568.db2.gz FXJMAXRVSKORGO-UHFFFAOYSA-N 0 0 430.508 5.081 50 0 IKAARN CCn1c(-c2cc(NC(=O)c3cccc(OC(F)(F)F)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398598 569399690 /nfs/dbraw/zinc/39/96/90/569399690.db2.gz MBUPEIFIPTVOJP-UHFFFAOYSA-N 0 0 444.413 5.211 50 0 IKAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)Nc1ccccc1F ZINC000096399039 569399829 /nfs/dbraw/zinc/39/98/29/569399829.db2.gz FJODTYBAFPNFHF-UHFFFAOYSA-N 0 0 437.540 5.726 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)NCc2c3ccccc3n(CC)c2-c2cccs2)c1 ZINC000096399135 569399868 /nfs/dbraw/zinc/39/98/68/569399868.db2.gz RGWIYGBSHGZWDE-UHFFFAOYSA-N 0 0 447.560 5.888 50 0 IKAARN CCn1c2ccccc2c(CNC(=O)Nc2ccccc2C(=O)OC)c1-c1cccs1 ZINC000096399127 569399874 /nfs/dbraw/zinc/39/98/74/569399874.db2.gz LKNWGNFRQDSADJ-UHFFFAOYSA-N 0 0 433.533 5.498 50 0 IKAARN CCCSC1=NC2(CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)N=C1c1ccc(C)cc1 ZINC000096399241 569399888 /nfs/dbraw/zinc/39/98/88/569399888.db2.gz RDPKXVRALFIGQL-UHFFFAOYSA-N 0 0 448.636 5.980 50 0 IKAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccccc1 ZINC000096399250 569399893 /nfs/dbraw/zinc/39/98/93/569399893.db2.gz WXEZTICVZJSQEX-UHFFFAOYSA-N 0 0 426.973 5.319 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000096399207 569399905 /nfs/dbraw/zinc/39/99/05/569399905.db2.gz GAERIRZMLPOCAC-UHFFFAOYSA-N 0 0 430.936 5.068 50 0 IKAARN CSC1=NC2(CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)N=C1c1ccccc1 ZINC000096399252 569399917 /nfs/dbraw/zinc/39/99/17/569399917.db2.gz XUMHAPWAZRBSQG-UHFFFAOYSA-N 0 0 446.498 5.294 50 0 IKAARN CCn1c(-c2cc(NC(=O)c3ccccc3Br)n[nH]2)cc2c1cccc2OC ZINC000096400288 569400332 /nfs/dbraw/zinc/40/03/32/569400332.db2.gz HJQIYISATLDYFV-UHFFFAOYSA-N 0 0 439.313 5.075 50 0 IKAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)Cc2ccccc2Br)n[nH]1 ZINC000096400280 569400339 /nfs/dbraw/zinc/40/03/39/569400339.db2.gz OUJLCMZSYGYYJZ-UHFFFAOYSA-N 0 0 437.341 5.303 50 0 IKAARN CCCOc1c(Cl)cc(/C=C\C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1OC ZINC000096402838 569400501 /nfs/dbraw/zinc/40/05/01/569400501.db2.gz KURUWOQDVYBZOA-WTKPLQERSA-N 0 0 444.959 5.380 50 0 IKAARN COC(=O)c1sc2[nH]c(C(Cl)=Cc3csc(-c4ccsc4)n3)nc(=O)c2c1C ZINC000096401845 569400513 /nfs/dbraw/zinc/40/05/13/569400513.db2.gz WHZOZZMNCLLXRA-VZUCSPMQSA-N 0 0 449.966 5.414 50 0 IKAARN Clc1ccc(-c2nc(CN3CCN(Cc4nc5ccccc5s4)CC3)cs2)cc1 ZINC000096437975 569400624 /nfs/dbraw/zinc/40/06/24/569400624.db2.gz PDJABMHVEZMQQO-UHFFFAOYSA-N 0 0 441.025 5.391 50 0 IKAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000096437998 569400654 /nfs/dbraw/zinc/40/06/54/569400654.db2.gz RIGMQGWSKXUGRZ-QHCPKHFHSA-N 0 0 430.508 5.230 50 0 IKAARN O=C(/C=C/c1cccs1)NCCCCCCCCCNC(=O)/C=C\c1cccs1 ZINC000096437940 569400656 /nfs/dbraw/zinc/40/06/56/569400656.db2.gz FIVVMKNBRSVHGQ-PMJBJKLVSA-N 0 0 430.639 5.499 50 0 IKAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C ZINC000021811507 569400722 /nfs/dbraw/zinc/40/07/22/569400722.db2.gz OGSNZCWXZMEMQV-HZFCYKQHSA-N 0 0 447.579 5.211 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000021811580 569400871 /nfs/dbraw/zinc/40/08/71/569400871.db2.gz WHRPOXPQODWNDB-ZRKIMJNXSA-N 0 0 447.579 5.211 50 0 IKAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000021811582 569400935 /nfs/dbraw/zinc/40/09/35/569400935.db2.gz WHRPOXPQODWNDB-ZAUUXRILSA-N 0 0 447.579 5.211 50 0 IKAARN CCN(c1ccc(NC(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3)n2)cc1)C(C)C ZINC000096543708 569401077 /nfs/dbraw/zinc/40/10/77/569401077.db2.gz HODRZDVOLNQPNS-SSZFMOIBSA-N 0 0 448.592 5.714 50 0 IKAARN Nc1c(C(=O)c2cccs2)sc2c1[C@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000096562286 569401128 /nfs/dbraw/zinc/40/11/28/569401128.db2.gz ZWPYGCSQGPZWIC-NSHDSACASA-N 0 0 433.352 5.342 50 0 IKAARN Cc1ccc(-c2nc(NC(=O)c3nc4ccccc4s3)sc2-c2ccccc2)cc1 ZINC000096562298 569401136 /nfs/dbraw/zinc/40/11/36/569401136.db2.gz ABHMAEKIHHCGKS-UHFFFAOYSA-N 0 0 427.554 6.648 50 0 IKAARN O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1cccc(Cl)c1 ZINC000096562291 569401152 /nfs/dbraw/zinc/40/11/52/569401152.db2.gz CHPIQAOFEBMZGW-UHFFFAOYSA-N 0 0 448.012 7.895 50 0 IKAARN COc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000096562437 569401180 /nfs/dbraw/zinc/40/11/80/569401180.db2.gz ZACKSUUSHWZLCX-XMMPIXPASA-N 0 0 449.894 5.005 50 0 IKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000096576695 569401525 /nfs/dbraw/zinc/40/15/25/569401525.db2.gz CEPNUEGQICCBSW-NRFANRHFSA-N 0 0 440.894 5.084 50 0 IKAARN Cc1cc(C)n([C@H](Nc2ccc(Br)cn2)c2ccc(Cl)cc2Cl)n1 ZINC000096579989 569401529 /nfs/dbraw/zinc/40/15/29/569401529.db2.gz DRXLJAOYVJLHML-KRWDZBQOSA-N 0 0 426.145 5.623 50 0 IKAARN CCOC(=O)N1CCCCN1C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1F ZINC000096580260 569401546 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IKAARN CCn1c2ccccc2c(-c2csc(NCc3ccccc3OC)n2)c1-c1ccccc1 ZINC000002645951 569414084 /nfs/dbraw/zinc/41/40/84/569414084.db2.gz NEEOOVOSQWKDQL-UHFFFAOYSA-N 0 0 439.584 7.072 50 0 IKAARN O=C(COc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O)N1CCCC1 ZINC000002647111 569414345 /nfs/dbraw/zinc/41/43/45/569414345.db2.gz GWQNSPCZSSNTLL-UHFFFAOYSA-N 0 0 441.483 5.254 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c(C)n1Cc1ccco1 ZINC000002647971 569414445 /nfs/dbraw/zinc/41/44/45/569414445.db2.gz GQOBCCUOCQEWGN-INIZCTEOSA-N 0 0 444.531 5.392 50 0 IKAARN COc1cc(C(=O)N(c2nc(-c3ccc(F)cc3)cs2)c2ccccc2)cc(OC)c1C ZINC000002649188 569414564 /nfs/dbraw/zinc/41/45/64/569414564.db2.gz TYOXEWMRBBGVBQ-UHFFFAOYSA-N 0 0 448.519 6.253 50 0 IKAARN COc1cc(Cl)ccc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 ZINC000215740363 569414620 /nfs/dbraw/zinc/41/46/20/569414620.db2.gz BZLBNEKSEVATJL-SFQUDFHCSA-N 0 0 442.302 5.058 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 ZINC000215738834 569414624 /nfs/dbraw/zinc/41/46/24/569414624.db2.gz VNICATGMCLZZBS-LDADJPATSA-N 0 0 426.303 5.358 50 0 IKAARN O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1cccc2ccccc21 ZINC000215741032 569414626 /nfs/dbraw/zinc/41/46/26/569414626.db2.gz NNONHSPCPCTYFX-LTGZKZEYSA-N 0 0 427.891 5.549 50 0 IKAARN Cc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2[C@H]2CCCC[C@@H]2C)no1 ZINC000002650315 569414718 /nfs/dbraw/zinc/41/47/18/569414718.db2.gz BPHYUULDZLXTFA-YJBOKZPZSA-N 0 0 425.558 5.032 50 0 IKAARN Cc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2[C@@H]2CCCC[C@@H]2C)no1 ZINC000002650316 569414787 /nfs/dbraw/zinc/41/47/87/569414787.db2.gz BPHYUULDZLXTFA-MAUKXSAKSA-N 0 0 425.558 5.032 50 0 IKAARN COc1ccc(-n2c(S[C@@H](C(C)=O)c3ccccc3)nnc2-c2cccc(C)c2)cc1 ZINC000002650907 569414866 /nfs/dbraw/zinc/41/48/66/569414866.db2.gz UOJGYTAKSUBARK-QHCPKHFHSA-N 0 0 429.545 5.674 50 0 IKAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C(C)C)cc1 ZINC000002653169 569415158 /nfs/dbraw/zinc/41/51/58/569415158.db2.gz LIZACELPKFJCFZ-QFIPXVFZSA-N 0 0 435.593 5.437 50 0 IKAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)n2)c1 ZINC000002653245 569415169 /nfs/dbraw/zinc/41/51/69/569415169.db2.gz NOOTWPAIEOQHSW-FQEVSTJZSA-N 0 0 430.957 5.859 50 0 IKAARN Cc1ccc(NC(=O)CS[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1C ZINC000002655045 569415433 /nfs/dbraw/zinc/41/54/33/569415433.db2.gz HOAQRTAVZKXKEH-MRXNPFEDSA-N 0 0 449.601 5.701 50 0 IKAARN Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2-c2ccccc2)cc1C ZINC000002656137 569415488 /nfs/dbraw/zinc/41/54/88/569415488.db2.gz BRTZOBJJHFZVBQ-UHFFFAOYSA-N 0 0 439.544 5.893 50 0 IKAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000002655991 569415558 /nfs/dbraw/zinc/41/55/58/569415558.db2.gz KFFMFQWDGYEBKX-GOSISDBHSA-N 0 0 436.625 5.547 50 0 IKAARN CCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)s1 ZINC000002657045 569415560 /nfs/dbraw/zinc/41/55/60/569415560.db2.gz AMOMNIXQEJLYPB-UHFFFAOYSA-N 0 0 440.532 5.062 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1Oc1ccccc1 ZINC000002657665 569415630 /nfs/dbraw/zinc/41/56/30/569415630.db2.gz YVJYJIOAHJSTSI-UHFFFAOYSA-N 0 0 448.573 5.673 50 0 IKAARN Clc1ccc2nc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cn2c1 ZINC000002659451 569415765 /nfs/dbraw/zinc/41/57/65/569415765.db2.gz FSHZKUJGIOMJFA-UHFFFAOYSA-N 0 0 429.936 5.799 50 0 IKAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O ZINC000002658333 569415792 /nfs/dbraw/zinc/41/57/92/569415792.db2.gz DYOMKSKGMQGFNN-FQEVSTJZSA-N 0 0 432.332 5.084 50 0 IKAARN COc1ccccc1-c1c(C)oc2cc(OCc3c(Cl)cccc3Cl)ccc2c1=O ZINC000002667568 569416566 /nfs/dbraw/zinc/41/65/66/569416566.db2.gz WOJDCCWVZXAXGX-UHFFFAOYSA-N 0 0 441.310 6.663 50 0 IKAARN COc1cccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)c1 ZINC000002666303 569416661 /nfs/dbraw/zinc/41/66/61/569416661.db2.gz JMJTUSYFVJFXSX-UHFFFAOYSA-N 0 0 443.282 6.480 50 0 IKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCO5)cc1 ZINC000002688715 569416854 /nfs/dbraw/zinc/41/68/54/569416854.db2.gz LMKWBMJYXRBMQS-UHFFFAOYSA-N 0 0 427.891 5.942 50 0 IKAARN COc1ccccc1Cn1cc2c(-c3ccc(C)cc3)nnc-2c2cc3c(cc21)OCCO3 ZINC000002690337 569416959 /nfs/dbraw/zinc/41/69/59/569416959.db2.gz LGZFGBLRAOGNMO-UHFFFAOYSA-N 0 0 437.499 5.340 50 0 IKAARN COc1cc2c(cc1OC)n(Cc1cccc(F)c1)cc(C(=O)c1ccc(C)c(C)c1)c2=O ZINC000002691231 569416980 /nfs/dbraw/zinc/41/69/80/569416980.db2.gz XNMOHOOZKUNQPM-UHFFFAOYSA-N 0 0 445.490 5.054 50 0 IKAARN COc1ccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc4c(cc32)OCCO4)cc1 ZINC000002690340 569417022 /nfs/dbraw/zinc/41/70/22/569417022.db2.gz FBQLAHLANKNVDB-UHFFFAOYSA-N 0 0 437.499 5.340 50 0 IKAARN COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3ccccc3F)c2cc1OC ZINC000002691920 569417171 /nfs/dbraw/zinc/41/71/71/569417171.db2.gz SOOZAZYGALFFAT-UHFFFAOYSA-N 0 0 447.897 6.061 50 0 IKAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000230017514 569417404 /nfs/dbraw/zinc/41/74/04/569417404.db2.gz QMPCFFAWGGZZJL-ISJGIBHGSA-N 0 0 440.543 5.344 50 0 IKAARN O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000002708467 569417626 /nfs/dbraw/zinc/41/76/26/569417626.db2.gz QUECTDQGOAESDH-LJQANCHMSA-N 0 0 426.912 7.527 50 0 IKAARN O=c1[nH]c(SCc2ccc(Cl)c(Cl)c2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000002717872 569417892 /nfs/dbraw/zinc/41/78/92/569417892.db2.gz IXBKXZYAQODTOY-UHFFFAOYSA-N 0 0 437.739 5.361 50 0 IKAARN Fc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002715128 569417927 /nfs/dbraw/zinc/41/79/27/569417927.db2.gz ZHOWPIJDKQDKAG-UHFFFAOYSA-N 0 0 428.898 6.492 50 0 IKAARN CCOc1cc(C(=O)NCCSc2c(C)[nH]c3ccccc32)cc(OCC)c1OCC ZINC000002721090 569418227 /nfs/dbraw/zinc/41/82/27/569418227.db2.gz YABFENSVQWBDDW-UHFFFAOYSA-N 0 0 442.581 5.195 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(C(C)(C)C)cc1)CC(=O)N2 ZINC000002724217 569418284 /nfs/dbraw/zinc/41/82/84/569418284.db2.gz LXKSAKAMAVRVGT-RUZDIDTESA-N 0 0 430.523 5.616 50 0 IKAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)Nc3cccc(C)c3)c2c1 ZINC000002722544 569418291 /nfs/dbraw/zinc/41/82/91/569418291.db2.gz KJZPVLZWRVIXLP-UHFFFAOYSA-N 0 0 444.604 5.630 50 0 IKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)COc1ccc3ccccc3c1)CC(=O)N2 ZINC000002723619 569418341 /nfs/dbraw/zinc/41/83/41/569418341.db2.gz PYQPTDXGSKGBSS-MUUNZHRXSA-N 0 0 436.511 5.097 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000002724222 569418361 /nfs/dbraw/zinc/41/83/61/569418361.db2.gz IOELIYOZBVNLJO-QFIPXVFZSA-N 0 0 442.412 5.337 50 0 IKAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(C(C)(C)C)cc1)CC(=O)N2 ZINC000002724218 569418364 /nfs/dbraw/zinc/41/83/64/569418364.db2.gz LXKSAKAMAVRVGT-VWLOTQADSA-N 0 0 430.523 5.616 50 0 IKAARN O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N(C1CCCCC1)C1CCCCC1 ZINC000002725410 569418405 /nfs/dbraw/zinc/41/84/05/569418405.db2.gz UDKISBJKGCWCGB-OAQYLSRUSA-N 0 0 446.897 6.004 50 0 IKAARN O=C(NCCC(c1ccccc1)c1ccccc1)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000002725290 569418424 /nfs/dbraw/zinc/41/84/24/569418424.db2.gz SEMBVODOXGCZEF-UHFFFAOYSA-N 0 0 442.437 5.195 50 0 IKAARN CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1 ZINC000002724625 569418441 /nfs/dbraw/zinc/41/84/41/569418441.db2.gz NHEWNVZLAZOTAJ-XMMPIXPASA-N 0 0 434.923 5.311 50 0 IKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725318 569418444 /nfs/dbraw/zinc/41/84/44/569418444.db2.gz LMIKBUZQUDTZJG-MRXNPFEDSA-N 0 0 426.700 5.168 50 0 IKAARN Cc1ccc2nc(NC(=O)N[C@@]3(C(F)(F)F)Oc4ccc(Cl)cc4O3)sc2c1 ZINC000002725369 569418471 /nfs/dbraw/zinc/41/84/71/569418471.db2.gz HMTLHOMZWADVLB-KRWDZBQOSA-N 0 0 429.807 5.067 50 0 IKAARN O=C(c1cc(Cl)ccc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724775 569418478 /nfs/dbraw/zinc/41/84/78/569418478.db2.gz ABMBRQYETMBFON-NRFANRHFSA-N 0 0 447.268 5.456 50 0 IKAARN Cc1cccc2sc(NC(=O)N[C@]3(C(F)(F)F)Oc4ccc(Cl)cc4O3)nc21 ZINC000002725368 569418494 /nfs/dbraw/zinc/41/84/94/569418494.db2.gz HKQGPUVVHCUONK-QGZVFWFLSA-N 0 0 429.807 5.067 50 0 IKAARN O=C(COc1ncnc2ccc(Br)cc21)Nc1ccccc1-c1ccccc1 ZINC000002725825 569418561 /nfs/dbraw/zinc/41/85/61/569418561.db2.gz SLJLCPQQLNATBU-UHFFFAOYSA-N 0 0 434.293 5.077 50 0 IKAARN O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000002725907 569418563 /nfs/dbraw/zinc/41/85/63/569418563.db2.gz NUVAKAHUAKSROJ-JOCHJYFZSA-N 0 0 432.951 5.422 50 0 IKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000002725858 569418609 /nfs/dbraw/zinc/41/86/09/569418609.db2.gz VVXRWWPAADUYNC-JOCHJYFZSA-N 0 0 444.535 5.756 50 0 IKAARN CC1=C(c2ccccc2)[C@@H]2N3N(CC2(C)C)[C@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@@]13C ZINC000230045929 569418892 /nfs/dbraw/zinc/41/88/92/569418892.db2.gz WGANOYMMECCSOW-FATKCUQPSA-N 0 0 448.610 6.268 50 0 IKAARN COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000002733565 569419698 /nfs/dbraw/zinc/41/96/98/569419698.db2.gz QVFJOLWELXPPFM-UHFFFAOYSA-N 0 0 439.342 6.839 50 0 IKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccc(F)cc3)n2)cc1OC ZINC000002733569 569419708 /nfs/dbraw/zinc/41/97/08/569419708.db2.gz WHATXWANFYUVDG-UHFFFAOYSA-N 0 0 434.467 5.380 50 0 IKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2ccc(Cl)cc2)c1-c1cccc(OC)c1 ZINC000002733532 569419710 /nfs/dbraw/zinc/41/97/10/569419710.db2.gz SUIHULACHACUHN-UHFFFAOYSA-N 0 0 432.951 6.498 50 0 IKAARN CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(OC)cc1 ZINC000230059265 569419719 /nfs/dbraw/zinc/41/97/19/569419719.db2.gz PTFGXILOMBJUPR-MUEKUWCCSA-N 0 0 434.580 5.223 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn(Cc2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1 ZINC000002733488 569419727 /nfs/dbraw/zinc/41/97/27/569419727.db2.gz KJYXMXGTOQDOJK-UHFFFAOYSA-N 0 0 429.297 7.159 50 0 IKAARN C[C@H](Oc1ccc(I)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000002744405 569419973 /nfs/dbraw/zinc/41/99/73/569419973.db2.gz UQTMOIYUXVHLHJ-VIFPVBQESA-N 0 0 436.076 5.004 50 0 IKAARN CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@H]1c1cccc2ccccc21 ZINC000002746610 569420096 /nfs/dbraw/zinc/42/00/96/569420096.db2.gz MAULIHCOXSNGSX-RUZDIDTESA-N 0 0 437.499 5.150 50 0 IKAARN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000002745808 569420194 /nfs/dbraw/zinc/42/01/94/569420194.db2.gz KWEJYIYDVHYWCP-UHFFFAOYSA-N 0 0 434.153 7.820 50 0 IKAARN CCCCOc1c(Cl)cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OC ZINC000002753020 569420248 /nfs/dbraw/zinc/42/02/48/569420248.db2.gz ZTHXKOLPIMZBEF-KGENOOAVSA-N 0 0 435.907 6.025 50 0 IKAARN Cc1cc(OCC(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)cc(C)c1Cl ZINC000002752097 569420321 /nfs/dbraw/zinc/42/03/21/569420321.db2.gz LZXFVBIPVDIMBA-LJQANCHMSA-N 0 0 430.784 5.917 50 0 IKAARN Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)o2)c1 ZINC000002759731 569420487 /nfs/dbraw/zinc/42/04/87/569420487.db2.gz DQXBCECKVIGDPP-UHFFFAOYSA-N 0 0 432.520 5.354 50 0 IKAARN CC(C)Oc1ccccc1-c1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2n1 ZINC000002760246 569420545 /nfs/dbraw/zinc/42/05/45/569420545.db2.gz KGXWYEQMBSLNMB-RUZDIDTESA-N 0 0 436.555 6.496 50 0 IKAARN Cc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000002765882 569420635 /nfs/dbraw/zinc/42/06/35/569420635.db2.gz NWXOQBAQXMLXDK-XMMPIXPASA-N 0 0 447.991 6.365 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C)c1-c1cc(C)ccc1C ZINC000002762064 569420668 /nfs/dbraw/zinc/42/06/68/569420668.db2.gz PAJJKGLHWDXUOG-UHFFFAOYSA-N 0 0 428.941 5.818 50 0 IKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000002765703 569420686 /nfs/dbraw/zinc/42/06/86/569420686.db2.gz HQETZEYSYJZGMS-GZTJUZNOSA-N 0 0 428.669 5.707 50 0 IKAARN COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OC(=O)c1cccnc1 ZINC000028795733 569420733 /nfs/dbraw/zinc/42/07/33/569420733.db2.gz BUCSLMJLPZORSB-VWLOTQADSA-N 0 0 448.482 5.299 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2ccc(OCCC(C)C)cc2)sc2c1CCCCC2 ZINC000002769292 569420752 /nfs/dbraw/zinc/42/07/52/569420752.db2.gz MTYQPIOQTIIVIZ-UHFFFAOYSA-N 0 0 429.582 5.871 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3n2)cc1 ZINC000002770274 569420764 /nfs/dbraw/zinc/42/07/64/569420764.db2.gz IHDFGVVTLNUACB-UHFFFAOYSA-N 0 0 426.854 5.856 50 0 IKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3n2)cc1 ZINC000002770163 569420842 /nfs/dbraw/zinc/42/08/42/569420842.db2.gz JVZJPZGEFIRDNG-UHFFFAOYSA-N 0 0 426.854 5.856 50 0 IKAARN Cc1cc(-c2ccccc2)nc(SCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)n1 ZINC000002771772 569420864 /nfs/dbraw/zinc/42/08/64/569420864.db2.gz OVUMTRDRXRRLDD-UHFFFAOYSA-N 0 0 435.552 6.575 50 0 IKAARN O=C(Nc1c(F)c(F)cc(F)c1F)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000002788381 569421402 /nfs/dbraw/zinc/42/14/02/569421402.db2.gz AFJKNBNLDMYGOF-UHFFFAOYSA-N 0 0 434.176 5.035 50 0 IKAARN S=C1N=NC(COc2ccc3cc(Br)ccc3c2)N1CCc1ccccc1 ZINC000002791615 569421760 /nfs/dbraw/zinc/42/17/60/569421760.db2.gz RPYYVXVGOXERFR-UHFFFAOYSA-N 0 0 440.366 5.304 50 0 IKAARN Cc1ccccc1N1C(=S)N=NC1c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F ZINC000002791086 569421818 /nfs/dbraw/zinc/42/18/18/569421818.db2.gz WOUVXPUBOWHFTO-AEFFLSMTSA-N 0 0 438.507 5.091 50 0 IKAARN Cc1ccccc1N1C(=S)N=NC1c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F ZINC000002791088 569421824 /nfs/dbraw/zinc/42/18/24/569421824.db2.gz WOUVXPUBOWHFTO-WMZOPIPTSA-N 0 0 438.507 5.091 50 0 IKAARN Cc1cccc(N2C(=S)N=NC2COc2ccc3cc(Br)ccc3c2)c1C ZINC000002792386 569421876 /nfs/dbraw/zinc/42/18/76/569421876.db2.gz QVWVBMQUVARACF-UHFFFAOYSA-N 0 0 440.366 5.668 50 0 IKAARN CCc1ccccc1N1C(=S)N=NC1COc1ccc2cc(Br)ccc2c1 ZINC000002792625 569421920 /nfs/dbraw/zinc/42/19/20/569421920.db2.gz USCNWCZYBAKBHI-UHFFFAOYSA-N 0 0 440.366 5.613 50 0 IKAARN Cc1cc(O)c(C(C)C)cc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000002791775 569421980 /nfs/dbraw/zinc/42/19/80/569421980.db2.gz IXAKFFYTWBXGOI-IWENEADUSA-N 0 0 428.964 5.003 50 0 IKAARN O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002798826 569422189 /nfs/dbraw/zinc/42/21/89/569422189.db2.gz JCLWCMGLIZBNAH-UHFFFAOYSA-N 0 0 448.697 5.194 50 0 IKAARN Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000002804252 569422552 /nfs/dbraw/zinc/42/25/52/569422552.db2.gz VGLQFVLRAAYXJZ-QMMMGPOBSA-N 0 0 449.202 5.152 50 0 IKAARN O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)Nc1ccc(OC(F)F)cc1 ZINC000002805437 569422613 /nfs/dbraw/zinc/42/26/13/569422613.db2.gz SXAYEGOSAJKFNZ-UHFFFAOYSA-N 0 0 437.471 5.629 50 0 IKAARN CCc1c(C)sc2ncn3nc(-c4ccc(Cn5nc(C)c(Cl)c5C)cc4)nc3c12 ZINC000002808834 569422723 /nfs/dbraw/zinc/42/27/23/569422723.db2.gz ATVCWWWWYLYUKB-UHFFFAOYSA-N 0 0 436.972 5.392 50 0 IKAARN Cc1cc(OC(F)F)ccc1NC(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 ZINC000002806231 569422731 /nfs/dbraw/zinc/42/27/31/569422731.db2.gz JSHWBWKNLPODNI-UHFFFAOYSA-N 0 0 435.883 5.438 50 0 IKAARN CCCc1ccc(OCc2ccc(-c3nc4c5c(CC)c(C)sc5ncn4n3)o2)cc1 ZINC000002808953 569422821 /nfs/dbraw/zinc/42/28/21/569422821.db2.gz KHXGDIHTGQPEPZ-UHFFFAOYSA-N 0 0 432.549 6.001 50 0 IKAARN COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1ccccc1C ZINC000002819045 569423023 /nfs/dbraw/zinc/42/30/23/569423023.db2.gz JQFSOEIXUYBXAG-UDWIEESQSA-N 0 0 447.874 5.221 50 0 IKAARN COc1ccc(OCc2ccccc2F)c(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000002821998 569423077 /nfs/dbraw/zinc/42/30/77/569423077.db2.gz LWASOSVZGFGBPL-FYJGNVAPSA-N 0 0 437.854 5.411 50 0 IKAARN COc1ccccc1OCCOc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000002821897 569423159 /nfs/dbraw/zinc/42/31/59/569423159.db2.gz DGQPFJSSEXGUHQ-LTGZKZEYSA-N 0 0 449.890 5.151 50 0 IKAARN CCOc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000002887644 569424163 /nfs/dbraw/zinc/42/41/63/569424163.db2.gz BPPZCYQWUZGWBS-UHFFFAOYSA-N 0 0 436.364 5.490 50 0 IKAARN COc1ccc(-c2cc(=O)c3cc(OCc4ccc(Br)cc4)ccc3o2)cc1 ZINC000002886919 569424172 /nfs/dbraw/zinc/42/41/72/569424172.db2.gz SFGUGZSYZYXLAO-UHFFFAOYSA-N 0 0 437.289 5.810 50 0 IKAARN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccc(Cl)cc1C ZINC000002889781 569424289 /nfs/dbraw/zinc/42/42/89/569424289.db2.gz OZYAOAXMXCNNRS-UHFFFAOYSA-N 0 0 445.924 5.190 50 0 IKAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000029027253 569424508 /nfs/dbraw/zinc/42/45/08/569424508.db2.gz BJIRODZOXRSHPI-UHFFFAOYSA-N 0 0 425.410 5.140 50 0 IKAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000002908942 569424687 /nfs/dbraw/zinc/42/46/87/569424687.db2.gz FOLYZMREECABOS-UHFFFAOYSA-N 0 0 444.940 5.274 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)sc2ncn(C)c(=O)c12 ZINC000002909741 569424691 /nfs/dbraw/zinc/42/46/91/569424691.db2.gz HQCLLJXCRBMFGU-UHFFFAOYSA-N 0 0 425.897 5.001 50 0 IKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2C)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002910991 569424863 /nfs/dbraw/zinc/42/48/63/569424863.db2.gz PYOPFVFYEZUPQG-UHFFFAOYSA-N 0 0 441.915 5.168 50 0 IKAARN CCOc1cc([C@H]2C[C@H](c3cccc(C)c3)Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000002918549 569425240 /nfs/dbraw/zinc/42/52/40/569425240.db2.gz SQIIRUMTZLYHBF-IFMALSPDSA-N 0 0 449.501 6.491 50 0 IKAARN CC(C)c1ccc([C@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002919688 569425271 /nfs/dbraw/zinc/42/52/71/569425271.db2.gz OWXYNUDWABBFNB-RBUKOAKNSA-N 0 0 444.320 5.152 50 0 IKAARN CCOc1cc([C@@H]2C[C@@H](c3cccc(C)c3)Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000002918546 569425276 /nfs/dbraw/zinc/42/52/76/569425276.db2.gz SQIIRUMTZLYHBF-UNMCSNQZSA-N 0 0 449.501 6.491 50 0 IKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cc(Cl)ccc3OC(F)F)C2)cc1 ZINC000002918804 569425301 /nfs/dbraw/zinc/42/53/01/569425301.db2.gz ZJYMVTYEDVDYOQ-NRFANRHFSA-N 0 0 437.877 6.656 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cccnc1SCc1cccc(Br)c1 ZINC000002922078 569425415 /nfs/dbraw/zinc/42/54/15/569425415.db2.gz ZDJRYVNRLPMMQG-UHFFFAOYSA-N 0 0 447.785 5.720 50 0 IKAARN CC(=O)Nc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1Sc1ccc(C)cc1 ZINC000002923137 569425502 /nfs/dbraw/zinc/42/55/02/569425502.db2.gz MLIDGVGOPQWLDV-UHFFFAOYSA-N 0 0 442.584 6.034 50 0 IKAARN Cc1ccc(Cn2cc(CCC(=O)NCCc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000002923058 569425508 /nfs/dbraw/zinc/42/55/08/569425508.db2.gz QRXRUBJVAXKIBL-UHFFFAOYSA-N 0 0 430.979 5.943 50 0 IKAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncnc(N(C)c3ccccc3)c12 ZINC000002926834 569425757 /nfs/dbraw/zinc/42/57/57/569425757.db2.gz XZYSHBQYGOULBQ-UHFFFAOYSA-N 0 0 426.904 5.812 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2ccc(C)cc2C)c1C ZINC000002928604 569425981 /nfs/dbraw/zinc/42/59/81/569425981.db2.gz ZNBIMCFGEAULKU-UHFFFAOYSA-N 0 0 434.536 5.294 50 0 IKAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2ccc(CC)cc2)c1C ZINC000002928541 569425984 /nfs/dbraw/zinc/42/59/84/569425984.db2.gz ISPVIYHVFHIEJX-UHFFFAOYSA-N 0 0 434.536 5.240 50 0 IKAARN O=C(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1 ZINC000003128716 569440635 /nfs/dbraw/zinc/44/06/35/569440635.db2.gz BRCVEGOHZULOPS-UHFFFAOYSA-N 0 0 432.202 5.665 50 0 IKAARN Cc1ccc(-n2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1C ZINC000002938036 569426408 /nfs/dbraw/zinc/42/64/08/569426408.db2.gz HLIPOWGFFHPJKW-UHFFFAOYSA-N 0 0 436.433 5.879 50 0 IKAARN Cc1cccc2sc(NC(=O)c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)nc21 ZINC000002938093 569426445 /nfs/dbraw/zinc/42/64/45/569426445.db2.gz JTXSECUBGIUMAE-UHFFFAOYSA-N 0 0 439.540 5.778 50 0 IKAARN CCCCN(CCCC)C(=O)c1cc(Sc2ccc(OCC)cc2)nc2ccccc21 ZINC000002941446 569426669 /nfs/dbraw/zinc/42/66/69/569426669.db2.gz YRVGYMSRSOMZAX-UHFFFAOYSA-N 0 0 436.621 6.827 50 0 IKAARN COc1ccc(C2=N/C(=C/c3cccc(Cl)c3Cl)C(=O)O2)cc1Br ZINC000002945739 569426915 /nfs/dbraw/zinc/42/69/15/569426915.db2.gz NQMYWFPCAYJUFU-MDWZMJQESA-N 0 0 427.081 5.109 50 0 IKAARN O=C1CS[C@@H](c2ccccc2Br)N1c1ccc(Oc2ccccc2)cc1 ZINC000002947553 569427054 /nfs/dbraw/zinc/42/70/54/569427054.db2.gz MVTWLURWDQKCJB-NRFANRHFSA-N 0 0 426.335 6.020 50 0 IKAARN Cc1cc(N2C(=O)CS[C@@H]2c2ccccc2Br)ccc1Br ZINC000002947548 569427064 /nfs/dbraw/zinc/42/70/64/569427064.db2.gz WWIJJJRAUNOMLI-MRXNPFEDSA-N 0 0 427.161 5.299 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000002948336 569427128 /nfs/dbraw/zinc/42/71/28/569427128.db2.gz VZAOBBJBPJYQDG-OAQYLSRUSA-N 0 0 444.604 5.034 50 0 IKAARN O=C(CSc1nc2ccccc2c(Nc2ccc(F)c(F)c2)n1)c1ccc(F)cc1 ZINC000002949043 569427143 /nfs/dbraw/zinc/42/71/43/569427143.db2.gz BRKWOWXQZRWDAT-UHFFFAOYSA-N 0 0 425.435 5.766 50 0 IKAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(I)cc1 ZINC000002949503 569427214 /nfs/dbraw/zinc/42/72/14/569427214.db2.gz UBZQOQBTPQDCPC-OAHLLOKOSA-N 0 0 449.235 5.089 50 0 IKAARN O=C1CS[C@@H](c2ccccc2C(F)(F)F)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949723 569427301 /nfs/dbraw/zinc/42/73/01/569427301.db2.gz HLOFYDGEXKTFOO-NRFANRHFSA-N 0 0 449.881 6.930 50 0 IKAARN CC(C)c1noc(COc2cc(OCc3nc(C(C)C)no3)c(Cl)cc2Cl)n1 ZINC000029141933 569427382 /nfs/dbraw/zinc/42/73/82/569427382.db2.gz NHLUTIBTCZPLSM-UHFFFAOYSA-N 0 0 427.288 5.164 50 0 IKAARN NC(=O)c1ccc(CN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)C2CC2)cc1 ZINC000029266587 569429438 /nfs/dbraw/zinc/42/94/38/569429438.db2.gz UYKMKHSOMVGAQS-WYMLVPIESA-N 0 0 436.964 5.372 50 0 IKAARN O=c1nc(CN2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000057293414 569430511 /nfs/dbraw/zinc/43/05/11/569430511.db2.gz CUOCZMSPJDQPCE-MRXNPFEDSA-N 0 0 427.982 5.704 50 0 IKAARN Cc1nc(-c2ccc(CN[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cs1 ZINC000057312433 569430825 /nfs/dbraw/zinc/43/08/25/569430825.db2.gz IETJKYJAJNQXBS-XMMPIXPASA-N 0 0 447.629 6.266 50 0 IKAARN O=C(CN[C@H](c1cccs1)c1ccc2c(c1)CCC2)Nc1ccccc1OC(F)F ZINC000057323211 569431107 /nfs/dbraw/zinc/43/11/07/569431107.db2.gz YRSUKUQBKVSPNK-QFIPXVFZSA-N 0 0 428.504 5.156 50 0 IKAARN COc1ccc(CN(Cc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)C2CC2)cc1 ZINC000057331571 569431125 /nfs/dbraw/zinc/43/11/25/569431125.db2.gz KEBIGOCQCCJEDW-UHFFFAOYSA-N 0 0 437.590 5.195 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000057323124 569431141 /nfs/dbraw/zinc/43/11/41/569431141.db2.gz LSEXZDZHXHMVDI-MHZLTWQESA-N 0 0 438.575 5.576 50 0 IKAARN C=Cc1ccc(Cn2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)c3cc(CC)ccc32)cc1 ZINC000057354757 569431485 /nfs/dbraw/zinc/43/14/85/569431485.db2.gz LAXUZYLBXPCOIP-UHFFFAOYSA-N 0 0 447.538 6.281 50 0 IKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002951017 569431960 /nfs/dbraw/zinc/43/19/60/569431960.db2.gz BEIVGEMXZXIZFL-WBVHZDCISA-N 0 0 433.602 6.395 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1NC(=O)c1ccccc1C ZINC000002950409 569431962 /nfs/dbraw/zinc/43/19/62/569431962.db2.gz WEIAVRYTNJBOGI-UHFFFAOYSA-N 0 0 445.906 6.116 50 0 IKAARN Cc1ccc(C)c(NC(=O)[C@@H](NCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2)c1 ZINC000057363003 569432002 /nfs/dbraw/zinc/43/20/02/569432002.db2.gz BGYMGPZISKEVQH-SANMLTNESA-N 0 0 429.564 5.137 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000002950448 569432022 /nfs/dbraw/zinc/43/20/22/569432022.db2.gz JBRQAXNFOBERLF-UHFFFAOYSA-N 0 0 445.906 6.116 50 0 IKAARN O=C(NC1CCCCCC1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002950965 569432049 /nfs/dbraw/zinc/43/20/49/569432049.db2.gz ZRKXSWZNQDRMLK-UHFFFAOYSA-N 0 0 433.602 6.539 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)c(=O)oc21 ZINC000002951675 569432126 /nfs/dbraw/zinc/43/21/26/569432126.db2.gz NYMMIZUSYFYILQ-UHFFFAOYSA-N 0 0 426.881 5.139 50 0 IKAARN COc1ccc(Br)cc1CNC(=O)CCSCc1cccc(Cl)c1 ZINC000002953841 569432287 /nfs/dbraw/zinc/43/22/87/569432287.db2.gz MQSFPCOALFZLOD-UHFFFAOYSA-N 0 0 428.779 5.051 50 0 IKAARN CCOc1cccc2cc(-c3csc(Nc4ccccc4C(F)(F)F)n3)c(=O)oc21 ZINC000002956264 569432321 /nfs/dbraw/zinc/43/23/21/569432321.db2.gz RGIJEAKCNZOBBY-UHFFFAOYSA-N 0 0 432.423 6.078 50 0 IKAARN Cc1ncc(CO)c2cc(C(=O)Nc3cccc4ccccc43)/c(=N/c3ccccc3)oc12 ZINC000002955599 569432331 /nfs/dbraw/zinc/43/23/31/569432331.db2.gz BSMDZPREWHRFBH-OHYPFYFLSA-N 0 0 435.483 5.266 50 0 IKAARN Cc1ccccc1/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1Cl ZINC000002955159 569432416 /nfs/dbraw/zinc/43/24/16/569432416.db2.gz QCXMPIGNWJPONI-COOPMVRXSA-N 0 0 433.895 5.075 50 0 IKAARN O=c1oc2ccc(Cl)cc2cc1-c1cn(-c2cccc(Br)c2)c(=S)[nH]1 ZINC000002957882 569432442 /nfs/dbraw/zinc/43/24/42/569432442.db2.gz SNKGOCNXAXZPAW-UHFFFAOYSA-N 0 0 433.714 5.724 50 0 IKAARN CCCCOc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 ZINC000002958664 569432450 /nfs/dbraw/zinc/43/24/50/569432450.db2.gz HWWAMUCXQBQNOF-UHFFFAOYSA-N 0 0 433.364 5.789 50 0 IKAARN O=c1c2sc3ccccc3c2nc(SCc2cccc(Cl)c2)n1C1CCCCC1 ZINC000002962109 569432802 /nfs/dbraw/zinc/43/28/02/569432802.db2.gz JMIRZPWOORXZMQ-UHFFFAOYSA-N 0 0 441.021 7.062 50 0 IKAARN COc1cccc2cc(-c3nc(-c4ccc(C)cc4)cs3)/c(=N/c3ccc(F)cc3)oc21 ZINC000002963990 569432890 /nfs/dbraw/zinc/43/28/90/569432890.db2.gz POHQCJISYNVXER-FVDSYPCUSA-N 0 0 442.515 6.912 50 0 IKAARN O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn21)Nc1cccc(Cl)c1 ZINC000002969414 569433152 /nfs/dbraw/zinc/43/31/52/569433152.db2.gz LHCIXAADFABWNU-UHFFFAOYSA-N 0 0 445.935 5.329 50 0 IKAARN Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000029779974 569433349 /nfs/dbraw/zinc/43/33/49/569433349.db2.gz HRHBMTKELORBBJ-UHFFFAOYSA-N 0 0 440.528 5.010 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1Cl ZINC000002970929 569433439 /nfs/dbraw/zinc/43/34/39/569433439.db2.gz QJPOYEKUVSUNQG-UHFFFAOYSA-N 0 0 441.984 5.594 50 0 IKAARN COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002974962 569433517 /nfs/dbraw/zinc/43/35/17/569433517.db2.gz AMOLFROZBSYGGI-UHFFFAOYSA-N 0 0 440.934 6.802 50 0 IKAARN CCN(c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)C1CCCCC1 ZINC000002975043 569433523 /nfs/dbraw/zinc/43/35/23/569433523.db2.gz HVHJZXKVSGGQKU-UHFFFAOYSA-N 0 0 445.010 7.208 50 0 IKAARN C[C@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974919 569433533 /nfs/dbraw/zinc/43/35/33/569433533.db2.gz GGYIHUAHJDCRLH-GHTZIAJQSA-N 0 0 445.010 7.368 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC2CCCCCC2)cc1Cl ZINC000002974942 569433555 /nfs/dbraw/zinc/43/35/55/569433555.db2.gz REDPAOSERFWMJE-UHFFFAOYSA-N 0 0 430.983 7.184 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccs2)cc1Cl ZINC000002974740 569433572 /nfs/dbraw/zinc/43/35/72/569433572.db2.gz HJSFXDXDHCEUHD-UHFFFAOYSA-N 0 0 430.964 6.723 50 0 IKAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000029794436 569433584 /nfs/dbraw/zinc/43/35/84/569433584.db2.gz ARBOJHFDTMLOGB-UHFFFAOYSA-N 0 0 434.565 5.232 50 0 IKAARN COc1ccc(Cl)cc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000002974995 569433587 /nfs/dbraw/zinc/43/35/87/569433587.db2.gz WJGGELOTUSXOEW-UHFFFAOYSA-N 0 0 440.934 6.802 50 0 IKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000057413430 569433773 /nfs/dbraw/zinc/43/37/73/569433773.db2.gz NZMHWNSIOAODBP-UHFFFAOYSA-N 0 0 430.939 5.154 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000057426019 569434456 /nfs/dbraw/zinc/43/44/56/569434456.db2.gz MRYKEMMRSBKMRN-UHFFFAOYSA-N 0 0 436.002 5.197 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000057426035 569434485 /nfs/dbraw/zinc/43/44/85/569434485.db2.gz AZHUOHGXFPDOJF-UHFFFAOYSA-N 0 0 429.611 5.106 50 0 IKAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1)c1ccccc1 ZINC000057428456 569434870 /nfs/dbraw/zinc/43/48/70/569434870.db2.gz KBZROSNARCBFHM-UHFFFAOYSA-N 0 0 449.601 5.209 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)cc1C ZINC000057428497 569434958 /nfs/dbraw/zinc/43/49/58/569434958.db2.gz URYXLUDXPPHQGW-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000003006865 569435199 /nfs/dbraw/zinc/43/51/99/569435199.db2.gz MDXFOFHAWALHTJ-DEOSSOPVSA-N 0 0 449.522 5.224 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000003006696 569435202 /nfs/dbraw/zinc/43/52/02/569435202.db2.gz WGHWSUYLGUMOJP-XMMPIXPASA-N 0 0 431.532 5.139 50 0 IKAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Cc2ccccc2)cc1 ZINC000003006795 569435223 /nfs/dbraw/zinc/43/52/23/569435223.db2.gz BPWNSEMHCYALDV-VWLOTQADSA-N 0 0 445.559 5.014 50 0 IKAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000003006834 569435235 /nfs/dbraw/zinc/43/52/35/569435235.db2.gz YBEZHCKQHYMILE-XMMPIXPASA-N 0 0 449.522 5.224 50 0 IKAARN Cc1ccc(CCNC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000003010155 569435285 /nfs/dbraw/zinc/43/52/85/569435285.db2.gz SREMZVQVOBQZAT-UHFFFAOYSA-N 0 0 432.976 6.320 50 0 IKAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccccc4Cl)cc3N2)cc1 ZINC000003011827 569435401 /nfs/dbraw/zinc/43/54/01/569435401.db2.gz JELMBIQQZIBGKV-FUHWJXTLSA-N 0 0 434.849 5.758 50 0 IKAARN O=C(NC1CCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000003011442 569435405 /nfs/dbraw/zinc/43/54/05/569435405.db2.gz SXBAQBYPKARVOQ-DOTOQJQBSA-N 0 0 426.870 5.259 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 ZINC000003011830 569435407 /nfs/dbraw/zinc/43/54/07/569435407.db2.gz BIDMTVRSDNOGAV-ICSRJNTNSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 ZINC000003011820 569435410 /nfs/dbraw/zinc/43/54/10/569435410.db2.gz FMYWLEARAXACJF-UYAOXDASSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1C ZINC000003011916 569435414 /nfs/dbraw/zinc/43/54/14/569435414.db2.gz YSZOTBMPFOGPKN-HKUYNNGSSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 ZINC000003011753 569435415 /nfs/dbraw/zinc/43/54/15/569435415.db2.gz HCHINYXERQDTBL-QUCCMNQESA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 ZINC000003011755 569435424 /nfs/dbraw/zinc/43/54/24/569435424.db2.gz HCHINYXERQDTBL-ICSRJNTNSA-N 0 0 428.458 5.721 50 0 IKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1C ZINC000003011913 569435425 /nfs/dbraw/zinc/43/54/25/569435425.db2.gz YSZOTBMPFOGPKN-PKOBYXMFSA-N 0 0 448.876 6.066 50 0 IKAARN O=C(N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000003014984 569435448 /nfs/dbraw/zinc/43/54/48/569435448.db2.gz TYGWUGOEQOCXAU-CQSZACIVSA-N 0 0 436.147 5.700 50 0 IKAARN Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)c1 ZINC000003011961 569435452 /nfs/dbraw/zinc/43/54/52/569435452.db2.gz XJTYZTOQGDECMK-MJGOQNOKSA-N 0 0 448.876 6.066 50 0 IKAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)c1 ZINC000003011980 569435454 /nfs/dbraw/zinc/43/54/54/569435454.db2.gz JKJMSCZRCBDIEX-SJLPKXTDSA-N 0 0 434.849 5.758 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000003011999 569435480 /nfs/dbraw/zinc/43/54/80/569435480.db2.gz QVZZBVCSEASWRH-SJLPKXTDSA-N 0 0 434.849 5.758 50 0 IKAARN COc1ccc(Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)cc1OC ZINC000003018081 569435508 /nfs/dbraw/zinc/43/55/08/569435508.db2.gz RXXANZYNWHTOAX-UHFFFAOYSA-N 0 0 436.309 5.820 50 0 IKAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3Cl)C(=O)O2)cc1 ZINC000003016906 569435546 /nfs/dbraw/zinc/43/55/46/569435546.db2.gz BIFVYZFHJIFDNW-XQNSMLJCSA-N 0 0 445.946 6.561 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000057472500 569435590 /nfs/dbraw/zinc/43/55/90/569435590.db2.gz LCJKPUHURYGMHG-UHFFFAOYSA-N 0 0 429.973 5.135 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000057472518 569435629 /nfs/dbraw/zinc/43/56/29/569435629.db2.gz YVBAJBCJXAAFOB-UHFFFAOYSA-N 0 0 429.973 5.135 50 0 IKAARN CC(C)CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O ZINC000057478607 569435835 /nfs/dbraw/zinc/43/58/35/569435835.db2.gz YMUKSKLTPNEYNT-UHFFFAOYSA-N 0 0 429.611 5.358 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccc(Cl)c2)cc1 ZINC000057472593 569435649 /nfs/dbraw/zinc/43/56/49/569435649.db2.gz QDFKIWYNBQYONG-UHFFFAOYSA-N 0 0 449.963 5.137 50 0 IKAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)ccc1F ZINC000003022955 569436056 /nfs/dbraw/zinc/43/60/56/569436056.db2.gz XFGDKBQCPISNML-UHFFFAOYSA-N 0 0 444.503 5.049 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F ZINC000003023409 569436099 /nfs/dbraw/zinc/43/60/99/569436099.db2.gz YKGBWTGSWFNXJJ-UHFFFAOYSA-N 0 0 438.952 5.041 50 0 IKAARN CCCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000003024269 569436150 /nfs/dbraw/zinc/43/61/50/569436150.db2.gz ILCDMNZGNFKYAY-UHFFFAOYSA-N 0 0 447.359 5.196 50 0 IKAARN CCCN(CCC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000003024255 569436153 /nfs/dbraw/zinc/43/61/53/569436153.db2.gz WNQNARPCSPFMMK-UHFFFAOYSA-N 0 0 447.359 5.196 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2F)cc1 ZINC000003024748 569436208 /nfs/dbraw/zinc/43/62/08/569436208.db2.gz AGOOOYZJUPFBEY-UHFFFAOYSA-N 0 0 440.540 5.022 50 0 IKAARN Cc1cc(-n2c3[nH]c(=S)n(-c4ccccc4F)c(=O)c3sc2=S)ccc1Cl ZINC000003026978 569436295 /nfs/dbraw/zinc/43/62/95/569436295.db2.gz ABYRQDOAFGLJKR-UHFFFAOYSA-N 0 0 435.958 5.731 50 0 IKAARN CCc1ccc(-n2c3nc(SCc4cccc(F)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000003027145 569436334 /nfs/dbraw/zinc/43/63/34/569436334.db2.gz UTTKMGRBUDDENV-UHFFFAOYSA-N 0 0 429.567 5.499 50 0 IKAARN C[C@@H](CNC(=S)Nc1ccc(Oc2ccccc2)cc1)CSc1ccc(Cl)cc1 ZINC000003027289 569436337 /nfs/dbraw/zinc/43/63/37/569436337.db2.gz RGTWOSGMTUGZJL-KRWDZBQOSA-N 0 0 443.037 6.847 50 0 IKAARN CSc1nc2c(sc(=S)n2-c2ccc(Cl)c(C)c2)c(=O)n1-c1ccc(F)cc1 ZINC000003027077 569436354 /nfs/dbraw/zinc/43/63/54/569436354.db2.gz RMNCLZVFGDQKEZ-UHFFFAOYSA-N 0 0 449.985 5.790 50 0 IKAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2c(C)cc(C)cc2C)c1 ZINC000057486305 569436417 /nfs/dbraw/zinc/43/64/17/569436417.db2.gz PYVYGJIDXWQWDN-UHFFFAOYSA-N 0 0 435.593 5.302 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1C ZINC000057486341 569436431 /nfs/dbraw/zinc/43/64/31/569436431.db2.gz QPJFKHMWUUSRDN-UHFFFAOYSA-N 0 0 430.617 7.092 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2cccc(Cl)c2C)c2ccccc21 ZINC000003029304 569436545 /nfs/dbraw/zinc/43/65/45/569436545.db2.gz ARSIJHCIZMBAAH-UHFFFAOYSA-N 0 0 448.035 7.022 50 0 IKAARN CCn1cc(CN(Cc2ccccc2)C(=S)Nc2ccc(OC)cc2)c2ccccc21 ZINC000003029300 569436555 /nfs/dbraw/zinc/43/65/55/569436555.db2.gz QUMZKVIIDZAZAA-UHFFFAOYSA-N 0 0 429.589 6.069 50 0 IKAARN Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000057486947 569436600 /nfs/dbraw/zinc/43/66/00/569436600.db2.gz YWLCZQOUSAOYIQ-UHFFFAOYSA-N 0 0 442.397 5.051 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1 ZINC000057487425 569436742 /nfs/dbraw/zinc/43/67/42/569436742.db2.gz MQLAVKGEXMIZCV-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccsc3c2=O)c1 ZINC000057487439 569436751 /nfs/dbraw/zinc/43/67/51/569436751.db2.gz ZZFRUYBLTUWIIO-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)Nc1ccccc1Br ZINC000003030086 569436864 /nfs/dbraw/zinc/43/68/64/569436864.db2.gz CUODUOXPEJNUDW-UHFFFAOYSA-N 0 0 431.355 5.593 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000057488080 569436888 /nfs/dbraw/zinc/43/68/88/569436888.db2.gz WYUSACKROWQREO-UHFFFAOYSA-N 0 0 441.965 5.140 50 0 IKAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)cc(C)c1)c1ccccc1 ZINC000057488192 569436911 /nfs/dbraw/zinc/43/69/11/569436911.db2.gz HKKHUUZVOZWWCJ-UHFFFAOYSA-N 0 0 449.601 5.209 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)cc1 ZINC000057488434 569436953 /nfs/dbraw/zinc/43/69/53/569436953.db2.gz IDBQSPQBEKELLH-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN COc1cccc(CNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 ZINC000003033232 569437814 /nfs/dbraw/zinc/43/78/14/569437814.db2.gz QJOJSOFCRVEKQY-UHFFFAOYSA-N 0 0 445.522 5.902 50 0 biogenic IKAARN COc1cc(OC)c(NC(=O)CSc2ncnc3c4ccccc4sc32)cc1Cl ZINC000003032977 569437834 /nfs/dbraw/zinc/43/78/34/569437834.db2.gz JUUVDKZYNYSLAD-UHFFFAOYSA-N 0 0 445.953 5.246 50 0 IKAARN CCOc1ccc(-n2c3[nH]c(=S)n(-c4ccc(C)cc4)c(=O)c3sc2=S)cc1 ZINC000003034529 569437862 /nfs/dbraw/zinc/43/78/62/569437862.db2.gz JLDCMXYMJZYQSV-UHFFFAOYSA-N 0 0 427.576 5.337 50 0 IKAARN Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1ccccc1Cl ZINC000003033402 569437889 /nfs/dbraw/zinc/43/78/89/569437889.db2.gz XLRZJCSDJFDTCI-UHFFFAOYSA-N 0 0 439.346 5.174 50 0 IKAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 ZINC000003035205 569437938 /nfs/dbraw/zinc/43/79/38/569437938.db2.gz MIBJZQBQVCEISL-JOCHJYFZSA-N 0 0 431.363 5.238 50 0 IKAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(Cl)cc2)N1C1CCCCCCC1 ZINC000003039020 569438033 /nfs/dbraw/zinc/43/80/33/569438033.db2.gz WXWMHAMNWFISOB-DEOSSOPVSA-N 0 0 431.020 5.888 50 0 IKAARN COCCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2 ZINC000003040760 569438409 /nfs/dbraw/zinc/43/84/09/569438409.db2.gz BSOLSPDVQWAJAO-UHFFFAOYSA-N 0 0 446.572 5.073 50 0 IKAARN CCCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2 ZINC000003040758 569438432 /nfs/dbraw/zinc/43/84/32/569438432.db2.gz WTDQZLNRHHEKRO-UHFFFAOYSA-N 0 0 430.573 5.837 50 0 IKAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000003041648 569438472 /nfs/dbraw/zinc/43/84/72/569438472.db2.gz WNOCGQDVYNRLNZ-UHFFFAOYSA-N 0 0 443.664 5.387 50 0 IKAARN O=C(c1ccc(Cl)cc1)n1ccc(-c2ccc(Oc3ccc(Cl)cc3)cc2Cl)n1 ZINC000003041602 569438485 /nfs/dbraw/zinc/43/84/85/569438485.db2.gz IXKGTNPFHOENGC-UHFFFAOYSA-N 0 0 443.717 6.991 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003042524 569438547 /nfs/dbraw/zinc/43/85/47/569438547.db2.gz XZOOHDAOFJBVOJ-UHFFFAOYSA-N 0 0 437.326 5.287 50 0 IKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N1CCC[C@H]2CCCC[C@H]21 ZINC000230127677 569438840 /nfs/dbraw/zinc/43/88/40/569438840.db2.gz FDBLQUVHECWLFR-DNVCBOLYSA-N 0 0 433.474 5.498 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1Sc1ccc(C)cc1 ZINC000003049186 569438939 /nfs/dbraw/zinc/43/89/39/569438939.db2.gz FPVYJPIHYGUWSC-HSZRJFAPSA-N 0 0 430.573 5.912 50 0 IKAARN O=C(CSc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003049178 569438950 /nfs/dbraw/zinc/43/89/50/569438950.db2.gz BOQOFJFUISPKGU-UHFFFAOYSA-N 0 0 429.781 6.501 50 0 IKAARN CSCc1nnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 ZINC000029917617 569439017 /nfs/dbraw/zinc/43/90/17/569439017.db2.gz GVYOXYPSHHEQBN-UHFFFAOYSA-N 0 0 435.983 5.508 50 0 IKAARN CCCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(C)cc1 ZINC000057523084 569439077 /nfs/dbraw/zinc/43/90/77/569439077.db2.gz BKXJYFVVNVXVQZ-UHFFFAOYSA-N 0 0 446.576 5.231 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000057528343 569439200 /nfs/dbraw/zinc/43/92/00/569439200.db2.gz DHZATYIUZSPYGH-UHFFFAOYSA-N 0 0 447.560 5.111 50 0 IKAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1C ZINC000057528301 569439221 /nfs/dbraw/zinc/43/92/21/569439221.db2.gz CMNKLJBXONQAFU-UHFFFAOYSA-N 0 0 436.726 5.126 50 0 IKAARN Clc1ccc(Cc2ccc(SCc3ccc(Br)cc3)nn2)c(Cl)c1 ZINC000003052261 569439272 /nfs/dbraw/zinc/43/92/72/569439272.db2.gz XTIVKIZEADCLLG-UHFFFAOYSA-N 0 0 440.193 6.429 50 0 IKAARN COC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n(CCC1=CCCCC1)c2=O ZINC000003052151 569439277 /nfs/dbraw/zinc/43/92/77/569439277.db2.gz OGGDFLGNACIZLR-UHFFFAOYSA-N 0 0 448.588 5.674 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O ZINC000003052065 569439278 /nfs/dbraw/zinc/43/92/78/569439278.db2.gz QNPSCVXQZJJTNR-UHFFFAOYSA-N 0 0 442.129 5.763 50 0 IKAARN COc1ccccc1Nc1cc(C(=O)NCCCSC2CCCCC2)c2ccccc2n1 ZINC000003053843 569439330 /nfs/dbraw/zinc/43/93/30/569439330.db2.gz JEPDEWNERZQQCZ-UHFFFAOYSA-N 0 0 449.620 6.173 50 0 IKAARN Cc1nc(CSc2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2Cl)n1 ZINC000003105884 569440263 /nfs/dbraw/zinc/44/02/63/569440263.db2.gz IGUVGYIPIQUZMR-UHFFFAOYSA-N 0 0 427.809 7.189 50 0 IKAARN CCN(CC)C(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003054475 569439340 /nfs/dbraw/zinc/43/93/40/569439340.db2.gz KKDWNXSLDRHRCR-UHFFFAOYSA-N 0 0 434.536 5.619 50 0 IKAARN CCc1cccc(NC(=S)N(Cc2cn(CC)c3ccccc23)C2CCCCCC2)c1 ZINC000003053672 569439358 /nfs/dbraw/zinc/43/93/58/569439358.db2.gz JKKLAXXXFJSGEI-UHFFFAOYSA-N 0 0 433.665 7.145 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056295 569439362 /nfs/dbraw/zinc/43/93/62/569439362.db2.gz PNLCGRPBMCWWHA-MRXNPFEDSA-N 0 0 434.536 5.666 50 0 IKAARN O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056290 569439365 /nfs/dbraw/zinc/43/93/65/569439365.db2.gz OICQOFSKUXWDDO-UHFFFAOYSA-N 0 0 446.547 5.810 50 0 IKAARN COc1ccccc1Nc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1 ZINC000003053848 569439371 /nfs/dbraw/zinc/43/93/71/569439371.db2.gz YTDWXXHFXDOAQU-IBGZPJMESA-N 0 0 425.532 5.738 50 0 IKAARN CCOc1ccc(-c2nc(CSCC(=O)N[C@H](C)CCc3ccccc3)c(C)o2)cc1 ZINC000003063482 569439641 /nfs/dbraw/zinc/43/96/41/569439641.db2.gz XNXPSMXGVBWFMS-GOSISDBHSA-N 0 0 438.593 5.419 50 0 IKAARN CCOc1ccc(-c2nc(CSCC(=O)NCc3ccccc3Cl)c(C)o2)cc1 ZINC000003063478 569439649 /nfs/dbraw/zinc/43/96/49/569439649.db2.gz SMGJTNLEFNWMRZ-UHFFFAOYSA-N 0 0 430.957 5.252 50 0 IKAARN Clc1cccc(Cc2nc3ccccc3c(SCc3ccc(Cl)cc3Cl)n2)c1 ZINC000003063757 569439667 /nfs/dbraw/zinc/43/96/67/569439667.db2.gz ICHDOKYWLBLITP-UHFFFAOYSA-N 0 0 445.802 7.473 50 0 IKAARN CSc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)cc1 ZINC000003064001 569439709 /nfs/dbraw/zinc/43/97/09/569439709.db2.gz GNTMNBIHROXJCZ-HAHDFKILSA-N 0 0 446.597 5.466 50 0 IKAARN CCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2I)cc1 ZINC000003088127 569439964 /nfs/dbraw/zinc/43/99/64/569439964.db2.gz HHDMGSINNKPABU-UHFFFAOYSA-N 0 0 436.293 5.062 50 0 biogenic IKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCCC3)cc1 ZINC000003100274 569440170 /nfs/dbraw/zinc/44/01/70/569440170.db2.gz YSTHYIBWBRJYIX-UHFFFAOYSA-N 0 0 440.590 5.982 50 0 IKAARN Cc1c(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000003105923 569440285 /nfs/dbraw/zinc/44/02/85/569440285.db2.gz YUMLBSNCKFVAHU-UHFFFAOYSA-N 0 0 435.276 7.386 50 0 IKAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)c12 ZINC000030013322 569440320 /nfs/dbraw/zinc/44/03/20/569440320.db2.gz SWWPLTADWXOFMF-UHFFFAOYSA-N 0 0 427.508 5.199 50 0 IKAARN CCCCn1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1Cl ZINC000030013244 569440326 /nfs/dbraw/zinc/44/03/26/569440326.db2.gz KPVUPGOGJLJTPQ-UHFFFAOYSA-N 0 0 425.964 5.436 50 0 IKAARN O=C(c1ccccc1)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000003107731 569440358 /nfs/dbraw/zinc/44/03/58/569440358.db2.gz JKRTYPAFFFABNH-UHFFFAOYSA-N 0 0 432.907 5.063 50 0 IKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000003111778 569440368 /nfs/dbraw/zinc/44/03/68/569440368.db2.gz SRFPWULGPUPYKK-AREMUKBSSA-N 0 0 425.557 5.622 50 0 IKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2noc(-c3cccs3)n2)cc1 ZINC000030023189 569440417 /nfs/dbraw/zinc/44/04/17/569440417.db2.gz RYEJBHBUIYMTLV-UHFFFAOYSA-N 0 0 432.530 5.098 50 0 IKAARN O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000003111580 569440419 /nfs/dbraw/zinc/44/04/19/569440419.db2.gz SQFNCEKTEKNPCN-AWEZNQCLSA-N 0 0 440.527 5.126 50 0 IKAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)c(Cl)c1 ZINC000003116615 569440470 /nfs/dbraw/zinc/44/04/70/569440470.db2.gz FYKIWZDUBMPNNQ-UHFFFAOYSA-N 0 0 449.956 5.427 50 0 IKAARN COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Cl)cc1 ZINC000003133182 569440664 /nfs/dbraw/zinc/44/06/64/569440664.db2.gz LWQCMEHUGAEZGM-UHFFFAOYSA-N 0 0 443.808 6.889 50 0 IKAARN Cc1c2cc(Br)cc(Br)c2oc1C(=O)c1ccc(Cl)cc1 ZINC000003134521 569440727 /nfs/dbraw/zinc/44/07/27/569440727.db2.gz YRCGRQJGVHURRV-UHFFFAOYSA-N 0 0 428.507 6.151 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1OCc1c(Cl)cccc1Cl ZINC000003134814 569440748 /nfs/dbraw/zinc/44/07/48/569440748.db2.gz DJVFQERCXWWLSJ-UHFFFAOYSA-N 0 0 447.170 7.193 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003134492 569440764 /nfs/dbraw/zinc/44/07/64/569440764.db2.gz QUZUUYXNMLPFFY-UHFFFAOYSA-N 0 0 441.236 5.475 50 0 IKAARN O=C(NCCc1ccccc1)c1cccnc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000003135021 569440774 /nfs/dbraw/zinc/44/07/74/569440774.db2.gz UZGWTRTYNXCVJR-UHFFFAOYSA-N 0 0 437.874 5.273 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1OCc1cccc(C(F)(F)F)c1 ZINC000003134842 569440804 /nfs/dbraw/zinc/44/08/04/569440804.db2.gz FSEZSMWBPMHADK-UHFFFAOYSA-N 0 0 446.277 6.905 50 0 IKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1OCc1ccc(Cl)cc1Cl ZINC000003134859 569440813 /nfs/dbraw/zinc/44/08/13/569440813.db2.gz SLZDKBRDBFVCEU-UHFFFAOYSA-N 0 0 447.170 7.193 50 0 IKAARN C[C@H]1C[C@@H]1c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C2CC2)o1 ZINC000030151210 569440884 /nfs/dbraw/zinc/44/08/84/569440884.db2.gz DVONWJGJLIGIAR-LRDDRELGSA-N 0 0 426.866 5.678 50 0 IKAARN C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C2CC2)o1 ZINC000030151208 569440912 /nfs/dbraw/zinc/44/09/12/569440912.db2.gz DVONWJGJLIGIAR-WBMJQRKESA-N 0 0 426.866 5.678 50 0 IKAARN O=C(C[C@H](O)C(Cl)(Cl)Cl)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000003147236 569440916 /nfs/dbraw/zinc/44/09/16/569440916.db2.gz PWZPDXWYOWZLFI-HNNXBMFYSA-N 0 0 428.526 6.090 50 0 IKAARN Cc1ccccc1N[C@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003147783 569440924 /nfs/dbraw/zinc/44/09/24/569440924.db2.gz ZGOSMXWAOYJYSG-OAHLLOKOSA-N 0 0 436.564 5.296 50 0 IKAARN CCOCc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000030177619 569440969 /nfs/dbraw/zinc/44/09/69/569440969.db2.gz JHBJILYOQWJGEF-UHFFFAOYSA-N 0 0 427.504 5.179 50 0 IKAARN CCOCc1ccccc1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000030177582 569440994 /nfs/dbraw/zinc/44/09/94/569440994.db2.gz JUNOGZXRXZEKGS-UHFFFAOYSA-N 0 0 437.849 5.011 50 0 IKAARN O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)OC[C@H]1CCCO1 ZINC000003164000 569441020 /nfs/dbraw/zinc/44/10/20/569441020.db2.gz PDFINVHQUYHSJC-SKDRFNHKSA-N 0 0 436.550 5.007 50 0 IKAARN CC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)nc1-c1ccccc1 ZINC000003166184 569441076 /nfs/dbraw/zinc/44/10/76/569441076.db2.gz CZJXAIZZZOPQGV-UHFFFAOYSA-N 0 0 449.535 6.480 50 0 IKAARN COC(=O)c1cc2ccccc2c(-c2c(OC(=O)c3ccccc3)ccc3ccccc32)c1O ZINC000003176086 569441259 /nfs/dbraw/zinc/44/12/59/569441259.db2.gz OGOMUNKIVCFLRS-UHFFFAOYSA-N 0 0 448.474 6.371 50 0 IKAARN O=C(Nc1ccc2cc(Br)ccc2c1Br)c1ccccc1Cl ZINC000003181970 569441296 /nfs/dbraw/zinc/44/12/96/569441296.db2.gz IIVZYEADQUQIAV-UHFFFAOYSA-N 0 0 439.534 6.271 50 0 IKAARN Cc1ccc(Nc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1Cl ZINC000003192238 569441494 /nfs/dbraw/zinc/44/14/94/569441494.db2.gz IQODKRMMQJZANO-UHFFFAOYSA-N 0 0 433.769 5.988 50 0 IKAARN Cc1ccc(Oc2ccc(OCC(=O)NCCNc3ccc4ccccc4c3)cc2)cc1 ZINC000003186898 569441385 /nfs/dbraw/zinc/44/13/85/569441385.db2.gz WUJNJDPUORCNCK-UHFFFAOYSA-N 0 0 426.516 5.548 50 0 IKAARN CCc1cc2c(cc1OC(C)=O)oc(C(F)(F)F)c(-c1cc3c(cc1C)OCCO3)c2=O ZINC000003185592 569441407 /nfs/dbraw/zinc/44/14/07/569441407.db2.gz YUNHHLASBPMPMN-UHFFFAOYSA-N 0 0 448.393 5.046 50 0 IKAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)s1 ZINC000003186386 569441412 /nfs/dbraw/zinc/44/14/12/569441412.db2.gz HISJXJLWBFWHLX-UHFFFAOYSA-N 0 0 430.329 5.087 50 0 IKAARN Cc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1OC(=O)c1ccccc1 ZINC000003189583 569441433 /nfs/dbraw/zinc/44/14/33/569441433.db2.gz KJUNLLUEDVBDIM-UHFFFAOYSA-N 0 0 430.507 6.734 50 0 IKAARN CCc1ccc(N[C@H](CC(=O)c2ccc(CC)cc2)c2ccc(Br)cc2)cc1 ZINC000003193952 569441512 /nfs/dbraw/zinc/44/15/12/569441512.db2.gz GLNRUCBNBZTYHF-XMMPIXPASA-N 0 0 436.393 7.000 50 0 IKAARN C[C@@H]1Cc2ccccc2N1c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 ZINC000003192529 569441521 /nfs/dbraw/zinc/44/15/21/569441521.db2.gz BTXOXBKUDJGJGP-LLVKDONJSA-N 0 0 425.362 5.365 50 0 IKAARN S=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000003197207 569441536 /nfs/dbraw/zinc/44/15/36/569441536.db2.gz LHKDFOLCFFXSGI-UHFFFAOYSA-N 0 0 447.607 7.199 50 0 IKAARN CCOC(=O)c1c(C)c(C(=O)c2ccc(-c3ccccc3)cc2)sc1Nc1ccccc1 ZINC000003199386 569441604 /nfs/dbraw/zinc/44/16/04/569441604.db2.gz CUWBCVHSFZQPFA-UHFFFAOYSA-N 0 0 441.552 6.875 50 0 IKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)cc12 ZINC000003214373 569441774 /nfs/dbraw/zinc/44/17/74/569441774.db2.gz PFVNYAXDIWIGQP-UHFFFAOYSA-N 0 0 448.529 5.029 50 0 IKAARN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000003214759 569441776 /nfs/dbraw/zinc/44/17/76/569441776.db2.gz YUQIUXSQKYRVPB-UHFFFAOYSA-N 0 0 439.295 5.186 50 0 IKAARN Cc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000003213717 569441830 /nfs/dbraw/zinc/44/18/30/569441830.db2.gz NAVTXSNHBPNXQI-UHFFFAOYSA-N 0 0 435.501 5.207 50 0 IKAARN CCN(C(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cccc2ccccc21 ZINC000003216021 569441839 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CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1c(C)cccc1C ZINC000003260797 569443265 /nfs/dbraw/zinc/44/32/65/569443265.db2.gz VDCWVLPEUSBNKP-UHFFFAOYSA-N 0 0 442.968 5.913 50 0 IKAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(Cl)cc1Cl ZINC000003260760 569443272 /nfs/dbraw/zinc/44/32/72/569443272.db2.gz DYYFQILWZXRBRP-UHFFFAOYSA-N 0 0 427.715 5.036 50 0 IKAARN CCCCNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CCCC2 ZINC000003263130 569443296 /nfs/dbraw/zinc/44/32/96/569443296.db2.gz XKDNCAXZSDUUHN-UHFFFAOYSA-N 0 0 434.989 5.136 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003263032 569443312 /nfs/dbraw/zinc/44/33/12/569443312.db2.gz HALWWHWRJFVMAF-NSHDSACASA-N 0 0 440.878 5.274 50 0 IKAARN O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)c1cccs1 ZINC000003268427 569443455 /nfs/dbraw/zinc/44/34/55/569443455.db2.gz YHHHVORCZBAXSJ-UHFFFAOYSA-N 0 0 425.560 6.111 50 0 IKAARN O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000003268831 569443497 /nfs/dbraw/zinc/44/34/97/569443497.db2.gz 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/nfs/dbraw/zinc/44/39/98/569443998.db2.gz MFXVVHWCWBBGRM-FQEVSTJZSA-N 0 0 445.401 5.448 50 0 IKAARN Cc1ccc(C)c(-n2c(SCc3cccc(Cl)c3)nnc2-c2cccc(Cl)c2)c1 ZINC000003284062 569444020 /nfs/dbraw/zinc/44/40/20/569444020.db2.gz NZIWLXUSJMRYRG-UHFFFAOYSA-N 0 0 440.399 7.150 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000003283882 569444029 /nfs/dbraw/zinc/44/40/29/569444029.db2.gz AWSDLOAPEJZCKG-UHFFFAOYSA-N 0 0 442.323 6.310 50 0 IKAARN Cc1ccc(NC(=S)NCc2ccc(CNC(=S)Nc3ccc(C)cc3)cc2)cc1 ZINC000003285603 569444095 /nfs/dbraw/zinc/44/40/95/569444095.db2.gz DEMILZZEVPJEPD-UHFFFAOYSA-N 0 0 434.634 5.277 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)NC1CCCC1 ZINC000003286972 569444108 /nfs/dbraw/zinc/44/41/08/569444108.db2.gz DDAMROFGHDWCRK-QGZVFWFLSA-N 0 0 440.657 5.897 50 0 IKAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OC(F)F ZINC000003286804 569444114 /nfs/dbraw/zinc/44/41/14/569444114.db2.gz CSIOHKITONLXSK-UHFFFAOYSA-N 0 0 430.476 5.551 50 0 IKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)NC1CCCC1 ZINC000003286969 569444123 /nfs/dbraw/zinc/44/41/23/569444123.db2.gz DDAMROFGHDWCRK-KRWDZBQOSA-N 0 0 440.657 5.897 50 0 IKAARN CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000003287852 569444155 /nfs/dbraw/zinc/44/41/55/569444155.db2.gz ZSGZXYOILKFLMV-QGZVFWFLSA-N 0 0 428.646 5.755 50 0 IKAARN CC(=O)Nc1ccc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000003287430 569444174 /nfs/dbraw/zinc/44/41/74/569444174.db2.gz XZZOVBQJTWRESZ-UHFFFAOYSA-N 0 0 436.377 5.413 50 0 IKAARN COc1ccc(C(=O)[C@H](Sc2nnc(-c3cccs3)o2)c2ccc(OC)cc2)cc1 ZINC000003287941 569444182 /nfs/dbraw/zinc/44/41/82/569444182.db2.gz SLMDLVPVTAPQSO-HXUWFJFHSA-N 0 0 438.530 5.532 50 0 IKAARN O=C(Nc1ccccc1C(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccco1 ZINC000003288078 569444207 /nfs/dbraw/zinc/44/42/07/569444207.db2.gz FGCWQYPASYIRRN-HSZRJFAPSA-N 0 0 431.875 6.132 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000003288547 569444208 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COc1cc2c(cc1NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1)oc1ccccc12 ZINC000003298983 569444908 /nfs/dbraw/zinc/44/49/08/569444908.db2.gz RLDQYCBAZQESDO-UHFFFAOYSA-N 0 0 446.503 6.347 50 0 IKAARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003299883 569444925 /nfs/dbraw/zinc/44/49/25/569444925.db2.gz GPIOLQPVBBNIER-UHFFFAOYSA-N 0 0 442.604 5.341 50 0 IKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)N1CCc2ccccc21 ZINC000003300272 569444945 /nfs/dbraw/zinc/44/49/45/569444945.db2.gz GSKHJUKZONUQBG-UHFFFAOYSA-N 0 0 448.931 5.363 50 0 IKAARN Cc1cc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c(C)n1Cc1ccco1 ZINC000003300988 569445009 /nfs/dbraw/zinc/44/50/09/569445009.db2.gz HOKZWCQYSYCNOV-UHFFFAOYSA-N 0 0 445.526 6.185 50 0 IKAARN CCN(c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1)C(C)C ZINC000003302420 569445064 /nfs/dbraw/zinc/44/50/64/569445064.db2.gz RTGLCYMKRAIYJA-UHFFFAOYSA-N 0 0 441.369 5.855 50 0 IKAARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000003304715 569445163 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Cc1nn(-c2nc(C)cc(C)n2)c2nc(-c3ccccc3)c(-c3nc4ccccc4s3)cc12 ZINC000003305024 569445262 /nfs/dbraw/zinc/44/52/62/569445262.db2.gz TWSJAJNGJZNAOU-UHFFFAOYSA-N 0 0 448.555 6.079 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1c[nH]c2ccccc21 ZINC000003307505 569445281 /nfs/dbraw/zinc/44/52/81/569445281.db2.gz YHLNDZHZSWOMGT-UHFFFAOYSA-N 0 0 438.940 5.302 50 0 IKAARN Cc1nc2sc3c(c2c(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1)CCC3 ZINC000003307852 569445283 /nfs/dbraw/zinc/44/52/83/569445283.db2.gz JCQNNFGGHWFIAC-VIFPVBQESA-N 0 0 438.405 5.915 50 0 IKAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2C)c1 ZINC000003307230 569445284 /nfs/dbraw/zinc/44/52/84/569445284.db2.gz WNYTZVRORYLTBJ-UHFFFAOYSA-N 0 0 449.359 5.663 50 0 IKAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1CC ZINC000003309303 569445335 /nfs/dbraw/zinc/44/53/35/569445335.db2.gz SUDAZUZAFXGUGI-UHFFFAOYSA-N 0 0 443.587 6.837 50 0 IKAARN FC(F)(F)c1cnc(NNC(=S)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000003310520 569445439 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Cc1cc(C(C)(C)C)ccc1OC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000003314330 569445645 /nfs/dbraw/zinc/44/56/45/569445645.db2.gz NQXIGIASTIYYMX-UHFFFAOYSA-N 0 0 444.596 7.691 50 0 IKAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(Br)cc1 ZINC000003317424 569445735 /nfs/dbraw/zinc/44/57/35/569445735.db2.gz UUSRTYDERFTQJI-UHFFFAOYSA-N 0 0 442.693 5.252 50 0 IKAARN COc1cccc(-n2c(SCC(=O)c3c(C)cc(C)cc3C)nc3ccccc3c2=O)c1 ZINC000003317236 569445738 /nfs/dbraw/zinc/44/57/38/569445738.db2.gz ORFIPYKYARKIED-UHFFFAOYSA-N 0 0 444.556 5.295 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1Cl ZINC000003316502 569445748 /nfs/dbraw/zinc/44/57/48/569445748.db2.gz BTHSDNGHJNIFTN-FQEVSTJZSA-N 0 0 448.733 6.492 50 0 IKAARN Cc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c(Br)c1 ZINC000003317112 569445776 /nfs/dbraw/zinc/44/57/76/569445776.db2.gz IPHICBYHYMLKBM-UHFFFAOYSA-N 0 0 438.730 5.421 50 0 IKAARN Cc1cc(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c(C)n1Cc1ccco1 ZINC000003317999 569445787 /nfs/dbraw/zinc/44/57/87/569445787.db2.gz WJVNJELRSMDPTH-UHFFFAOYSA-N 0 0 441.527 5.694 50 0 IKAARN O=C(CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)N1CCCCC1 ZINC000003317874 569445830 /nfs/dbraw/zinc/44/58/30/569445830.db2.gz JKSRFUTVTIGHPW-UHFFFAOYSA-N 0 0 448.636 5.632 50 0 IKAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003318488 569445843 /nfs/dbraw/zinc/44/58/43/569445843.db2.gz SBQOFEUPLAUYRH-UHFFFAOYSA-N 0 0 448.224 5.157 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000003319194 569445865 /nfs/dbraw/zinc/44/58/65/569445865.db2.gz UJXQHCZIPSWPOG-XMMPIXPASA-N 0 0 431.532 5.838 50 0 IKAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000003319578 569445872 /nfs/dbraw/zinc/44/58/72/569445872.db2.gz LZCWWOSAFSUJDG-IRXDYDNUSA-N 0 0 441.000 5.469 50 0 IKAARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1Cc1cccs1 ZINC000003318732 569445884 /nfs/dbraw/zinc/44/58/84/569445884.db2.gz IPWVGXSRZIWOCF-UHFFFAOYSA-N 0 0 439.631 5.683 50 0 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/nfs/dbraw/zinc/44/60/32/569446032.db2.gz NTDQHYDPOCCSDD-UHFFFAOYSA-N 0 0 444.270 5.697 50 0 IKAARN Cc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2NC(=O)C(F)(F)F)cc1 ZINC000003324980 569446135 /nfs/dbraw/zinc/44/61/35/569446135.db2.gz ZKECVFJDHWEZCB-UHFFFAOYSA-N 0 0 436.437 6.092 50 0 IKAARN CC(=O)c1sc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)nc1-c1ccccc1 ZINC000003324263 569446167 /nfs/dbraw/zinc/44/61/67/569446167.db2.gz FVNMNMQBCLBVRB-UHFFFAOYSA-N 0 0 439.496 6.073 50 0 IKAARN Cc1cc(Oc2cnccn2)ccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000058052656 569446202 /nfs/dbraw/zinc/44/62/02/569446202.db2.gz NSWJTGLUPGBHTL-UHFFFAOYSA-N 0 0 439.475 5.474 50 0 IKAARN CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000003326175 569446209 /nfs/dbraw/zinc/44/62/09/569446209.db2.gz SBGLAHYPHXHBCU-ZDUSSCGKSA-N 0 0 446.391 5.522 50 0 IKAARN Cc1c(=O)c2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2oc1-c1ccccc1 ZINC000003325698 569446212 /nfs/dbraw/zinc/44/62/12/569446212.db2.gz HFMZEGBJTHIOHB-UHFFFAOYSA-N 0 0 445.518 6.612 50 0 IKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003326851 569446226 /nfs/dbraw/zinc/44/62/26/569446226.db2.gz MHWQYUKVYHPSHW-JOCHJYFZSA-N 0 0 448.566 6.338 50 0 IKAARN O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1cccc(Cl)c1Cl ZINC000003327495 569446246 /nfs/dbraw/zinc/44/62/46/569446246.db2.gz YVZUGKBVOGPUNY-UHFFFAOYSA-N 0 0 437.398 7.159 50 0 IKAARN COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000003327612 569446275 /nfs/dbraw/zinc/44/62/75/569446275.db2.gz FZWVDFCZICEETR-UHFFFAOYSA-N 0 0 445.298 5.621 50 0 IKAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(F)cc1Cl ZINC000003330777 569446411 /nfs/dbraw/zinc/44/64/11/569446411.db2.gz AGELBFQUDMSRMJ-CYBMUJFWSA-N 0 0 439.915 5.288 50 0 IKAARN Cc1ccc(-c2csc(=S)n2CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003331427 569446486 /nfs/dbraw/zinc/44/64/86/569446486.db2.gz BOBLQZDEBYNTCG-UHFFFAOYSA-N 0 0 430.598 6.160 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)n1C1CC1 ZINC000003332882 569446568 /nfs/dbraw/zinc/44/65/68/569446568.db2.gz VVQZRTUDIHOACH-UHFFFAOYSA-N 0 0 443.576 5.117 50 0 IKAARN Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)n2c2ccccc12 ZINC000003334170 569446575 /nfs/dbraw/zinc/44/65/75/569446575.db2.gz XMHKOOZOKWYFJQ-NSHDSACASA-N 0 0 432.336 5.012 50 0 IKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc5ccccn54)cc3)sc2c1 ZINC000003334121 569446593 /nfs/dbraw/zinc/44/65/93/569446593.db2.gz LXFSQACFPPUXQD-UHFFFAOYSA-N 0 0 431.546 5.045 50 0 IKAARN COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000003338093 569446700 /nfs/dbraw/zinc/44/67/00/569446700.db2.gz RNEJDZZFMQYNBR-UHFFFAOYSA-N 0 0 445.298 5.621 50 0 IKAARN CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003337415 569446711 /nfs/dbraw/zinc/44/67/11/569446711.db2.gz GDQKZQNRHJTRDZ-GOSISDBHSA-N 0 0 425.494 7.062 50 0 IKAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 ZINC000003337792 569446731 /nfs/dbraw/zinc/44/67/31/569446731.db2.gz BAHBDEZPUNHUBE-CQSZACIVSA-N 0 0 431.945 5.546 50 0 IKAARN O=C(OCc1ccc(Br)cc1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000003340012 569446810 /nfs/dbraw/zinc/44/68/10/569446810.db2.gz KSUNCYVJGBQVMI-UHFFFAOYSA-N 0 0 445.363 6.221 50 0 IKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)NC(c1ccccc1)c1ccccc1 ZINC000003340426 569446832 /nfs/dbraw/zinc/44/68/32/569446832.db2.gz DIVDOEILWFGFTL-UHFFFAOYSA-N 0 0 431.586 5.178 50 0 IKAARN O=C(O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000003341146 569446868 /nfs/dbraw/zinc/44/68/68/569446868.db2.gz CCXYVAQJQWKWJL-MUUNZHRXSA-N 0 0 431.491 6.616 50 0 IKAARN Cc1nc2sc3c(c2c(Oc2ccc4cc(Br)ccc4c2)n1)CC[C@H](C)C3 ZINC000003340699 569446880 /nfs/dbraw/zinc/44/68/80/569446880.db2.gz HZGWMHOAHJTQGP-LBPRGKRZSA-N 0 0 439.378 6.833 50 0 IKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3cccc(Cl)c3)CO2)cc1 ZINC000058088535 569446993 /nfs/dbraw/zinc/44/69/93/569446993.db2.gz QYSSEGQQCQYWGG-UHFFFAOYSA-N 0 0 433.891 5.474 50 0 biogenic IKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1ccc(F)cc1)C3 ZINC000058088588 569447018 /nfs/dbraw/zinc/44/70/18/569447018.db2.gz SFQASBQEPGPZHK-UHFFFAOYSA-N 0 0 429.491 5.492 50 0 biogenic IKAARN CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000003347224 569447147 /nfs/dbraw/zinc/44/71/47/569447147.db2.gz VTUQUYRILRKYLR-HXUWFJFHSA-N 0 0 430.548 5.999 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000003347944 569447234 /nfs/dbraw/zinc/44/72/34/569447234.db2.gz ZDKKESRHDYIXJZ-UHFFFAOYSA-N 0 0 441.578 5.139 50 0 IKAARN COc1ccc([C@H](CNC(=S)c2ccc(C(C)(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000003348959 569447242 /nfs/dbraw/zinc/44/72/42/569447242.db2.gz MQUDDKILODXDNE-DEOSSOPVSA-N 0 0 442.628 6.571 50 0 IKAARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003349986 569447311 /nfs/dbraw/zinc/44/73/11/569447311.db2.gz LJELFSHMRZPIFF-UHFFFAOYSA-N 0 0 438.936 5.118 50 0 IKAARN Cc1cc(C(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c(C)n1Cc1cccs1 ZINC000003352144 569447407 /nfs/dbraw/zinc/44/74/07/569447407.db2.gz JLQFUNPHEASMKA-UHFFFAOYSA-N 0 0 445.540 5.627 50 0 IKAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)N(C1CCCCC1)C1CCCCC1 ZINC000003351907 569447415 /nfs/dbraw/zinc/44/74/15/569447415.db2.gz FNOGHTMUBHKAQP-UHFFFAOYSA-N 0 0 449.620 6.231 50 0 IKAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(C)c1ccccc1 ZINC000003352052 569447425 /nfs/dbraw/zinc/44/74/25/569447425.db2.gz MXLMCJDYLIFGOG-INIZCTEOSA-N 0 0 441.000 5.857 50 0 IKAARN CN(Cc1cccs1)C(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003354245 569447543 /nfs/dbraw/zinc/44/75/43/569447543.db2.gz PAZHCCCCXXYWOU-UHFFFAOYSA-N 0 0 433.451 5.249 50 0 IKAARN Cc1nc2ccccc2nc1CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000003356343 569447638 /nfs/dbraw/zinc/44/76/38/569447638.db2.gz CMRZAWYSHFXBKL-UHFFFAOYSA-N 0 0 435.622 5.980 50 0 IKAARN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccccc1Cc1ccccc1 ZINC000003358189 569447674 /nfs/dbraw/zinc/44/76/74/569447674.db2.gz ZHRVRFQNULHCOA-UHFFFAOYSA-N 0 0 449.506 5.901 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1OC ZINC000003360315 569447839 /nfs/dbraw/zinc/44/78/39/569447839.db2.gz HJEBCSUACZYFJN-UHFFFAOYSA-N 0 0 449.507 5.066 50 0 IKAARN COc1ccccc1Nc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 ZINC000003359639 569447843 /nfs/dbraw/zinc/44/78/43/569447843.db2.gz HPZCTQHECYFUSN-UHFFFAOYSA-N 0 0 431.533 6.562 50 0 IKAARN Cc1c2ccc3ccccc3c2oc1C(=O)OCc1csc(Nc2ccc(C)cc2)n1 ZINC000003360985 569447917 /nfs/dbraw/zinc/44/79/17/569447917.db2.gz OZHVGQSPJRNMOA-UHFFFAOYSA-N 0 0 428.513 6.760 50 0 IKAARN Cc1cc2sc(NC(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)nc2c(C)c1 ZINC000003361006 569447936 /nfs/dbraw/zinc/44/79/36/569447936.db2.gz BNNYXPCFDWXCAC-FQEVSTJZSA-N 0 0 437.609 5.604 50 0 IKAARN CC[C@H](C)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C ZINC000003361630 569447943 /nfs/dbraw/zinc/44/79/43/569447943.db2.gz WYEUQFSRRVOQQE-ZDUSSCGKSA-N 0 0 433.426 5.081 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(Cl)cc1 ZINC000003362142 569447971 /nfs/dbraw/zinc/44/79/71/569447971.db2.gz IESJHHKPJCZRSR-UHFFFAOYSA-N 0 0 446.963 5.268 50 0 IKAARN Cc1ccc(C(=O)[C@H](OC(=O)C2(c3cccc(F)c3)CCCC2)c2ccc(C)cc2)cc1 ZINC000003362872 569447975 /nfs/dbraw/zinc/44/79/75/569447975.db2.gz GQFCITGASPUEOJ-AREMUKBSSA-N 0 0 430.519 6.422 50 0 IKAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003363793 569448038 /nfs/dbraw/zinc/44/80/38/569448038.db2.gz VBXGOCLGQQNJCE-MRXNPFEDSA-N 0 0 434.380 5.274 50 0 IKAARN C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003364585 569448078 /nfs/dbraw/zinc/44/80/78/569448078.db2.gz OIAQZVHUZNHVGC-QMMMGPOBSA-N 0 0 431.732 5.155 50 0 IKAARN COc1ccc([C@H]2N(c3ccc(OCc4ccccc4)cc3)C(=O)C2(F)F)cc1OC ZINC000003366335 569448134 /nfs/dbraw/zinc/44/81/34/569448134.db2.gz SHLXVOXFCBLGLX-JOCHJYFZSA-N 0 0 425.431 5.006 50 0 IKAARN O=C(CCOc1ccccc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003366731 569448155 /nfs/dbraw/zinc/44/81/55/569448155.db2.gz LSRIHKYTXXVGOP-UHFFFAOYSA-N 0 0 428.410 5.365 50 0 IKAARN Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@@H]3CCCC[C@H]3C)cc(=O)oc2c1 ZINC000003365643 569448159 /nfs/dbraw/zinc/44/81/59/569448159.db2.gz YHGDNZZBCVIOSX-DYESRHJHSA-N 0 0 446.576 5.798 50 0 IKAARN CN(C)c1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000003368875 569448263 /nfs/dbraw/zinc/44/82/63/569448263.db2.gz RCECHAXAHKLJJJ-UHFFFAOYSA-N 0 0 434.428 5.691 50 0 IKAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000058135496 569448365 /nfs/dbraw/zinc/44/83/65/569448365.db2.gz GHFVPNHSFMTSCF-FGZHOGPDSA-N 0 0 436.577 5.529 50 0 IKAARN CCCN(CCc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000058140201 569448489 /nfs/dbraw/zinc/44/84/89/569448489.db2.gz YDYWJPBYHLFUJA-UHFFFAOYSA-N 0 0 427.552 5.169 50 0 IKAARN CCOc1ccc(C2=N/C(=C/c3cccc(Oc4ccccc4)c3)C(=O)O2)cc1OCC ZINC000003373269 569448586 /nfs/dbraw/zinc/44/85/86/569448586.db2.gz DEMQHAUGBSSMGV-CJLVFECKSA-N 0 0 429.472 5.621 50 0 IKAARN COc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000003378606 569448749 /nfs/dbraw/zinc/44/87/49/569448749.db2.gz OJPHBBUPONDOHJ-UHFFFAOYSA-N 0 0 430.529 5.598 50 0 IKAARN O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000003380652 569448812 /nfs/dbraw/zinc/44/88/12/569448812.db2.gz MNYSFJAUECBRTK-UHFFFAOYSA-N 0 0 446.494 7.009 50 0 IKAARN O=C(CSc1nc(-c2ccccc2)cs1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003382385 569448900 /nfs/dbraw/zinc/44/89/00/569448900.db2.gz OQCNOZDYJDPDDF-UHFFFAOYSA-N 0 0 430.598 6.131 50 0 IKAARN Cc1nnc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2C)n1C ZINC000058155942 569448954 /nfs/dbraw/zinc/44/89/54/569448954.db2.gz IHXPSUSQIWSVHT-UHFFFAOYSA-N 0 0 445.379 5.279 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)n1C1CC1 ZINC000003386249 569448955 /nfs/dbraw/zinc/44/89/55/569448955.db2.gz UYPRXNYXCFSHMU-UHFFFAOYSA-N 0 0 447.539 5.197 50 0 IKAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1C ZINC000058161119 569449207 /nfs/dbraw/zinc/44/92/07/569449207.db2.gz YZQPUAZQFKREGX-RUZDIDTESA-N 0 0 435.527 5.510 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)c1C ZINC000003393896 569449340 /nfs/dbraw/zinc/44/93/40/569449340.db2.gz HSLIJCJEQQPQKA-UHFFFAOYSA-N 0 0 432.501 5.151 50 0 IKAARN Cc1ccc(-c2nnc(-c3cc(-c4cccs4)nc4c3c(C)nn4-c3ccccc3)o2)o1 ZINC000003399444 569449537 /nfs/dbraw/zinc/44/95/37/569449537.db2.gz BWZDUBOIINVGRQ-UHFFFAOYSA-N 0 0 439.500 6.076 50 0 IKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000003398467 569449565 /nfs/dbraw/zinc/44/95/65/569449565.db2.gz OLHLTCFJCXEPEK-UHFFFAOYSA-N 0 0 443.425 5.017 50 0 IKAARN COc1cc(CN(C)c2nc(C)nc3sc4c(c32)CC[C@@H](C)C4)ccc1OC(F)F ZINC000003399857 569449575 /nfs/dbraw/zinc/44/95/75/569449575.db2.gz KKVRRECXPSCJPS-GFCCVEGCSA-N 0 0 433.524 5.371 50 0 IKAARN CCCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058171226 569449628 /nfs/dbraw/zinc/44/96/28/569449628.db2.gz VKDRJQVOHSNNQX-OAQYLSRUSA-N 0 0 448.394 5.521 50 0 IKAARN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000058180001 569449906 /nfs/dbraw/zinc/44/99/06/569449906.db2.gz LFINGFXWIIAQPB-UHFFFAOYSA-N 0 0 442.437 5.730 50 0 IKAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 ZINC000003407483 569450016 /nfs/dbraw/zinc/45/00/16/569450016.db2.gz KSFGZEJMMQICCH-OAQYLSRUSA-N 0 0 446.532 5.058 50 0 IKAARN Cc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)sc2c1 ZINC000003409694 569450024 /nfs/dbraw/zinc/45/00/24/569450024.db2.gz SURPDBXBPSEBGK-UHFFFAOYSA-N 0 0 428.492 5.849 50 0 IKAARN COc1ccc(CCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000003409658 569450071 /nfs/dbraw/zinc/45/00/71/569450071.db2.gz JHNUYNUVYRXPGE-VWLOTQADSA-N 0 0 441.575 5.123 50 0 IKAARN Cc1oc2c(C)c(OCC(=O)N3CCCCCC3)ccc2c(=O)c1-c1ccccc1Cl ZINC000003411475 569450117 /nfs/dbraw/zinc/45/01/17/569450117.db2.gz LYPVQJKASZHDMZ-UHFFFAOYSA-N 0 0 439.939 5.512 50 0 IKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000003410581 569450121 /nfs/dbraw/zinc/45/01/21/569450121.db2.gz QKBBAMQVRPPGQL-UHFFFAOYSA-N 0 0 446.935 5.120 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1C ZINC000003410908 569450127 /nfs/dbraw/zinc/45/01/27/569450127.db2.gz BXWZLWNGRYCPNB-UHFFFAOYSA-N 0 0 430.533 5.057 50 0 IKAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)c1 ZINC000003412716 569450170 /nfs/dbraw/zinc/45/01/70/569450170.db2.gz UJFHQIXMRULNFM-LJQANCHMSA-N 0 0 441.984 5.369 50 0 IKAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000003418796 569450302 /nfs/dbraw/zinc/45/03/02/569450302.db2.gz JXBHHHDBQCZEGV-QGZVFWFLSA-N 0 0 442.821 5.152 50 0 IKAARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003418641 569450306 /nfs/dbraw/zinc/45/03/06/569450306.db2.gz PKJGRCNFYZMMOD-VWLOTQADSA-N 0 0 430.548 5.357 50 0 IKAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000003422012 569450498 /nfs/dbraw/zinc/45/04/98/569450498.db2.gz XCFHAUSFQQNSSF-HHHXNRCGSA-N 0 0 432.523 5.758 50 0 IKAARN Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000003433095 569450911 /nfs/dbraw/zinc/45/09/11/569450911.db2.gz QUCAMWPEVGHVOD-UHFFFAOYSA-N 0 0 441.999 5.850 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000003433752 569450931 /nfs/dbraw/zinc/45/09/31/569450931.db2.gz GHTKALVTWSYITA-UHFFFAOYSA-N 0 0 448.617 6.069 50 0 IKAARN S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000003433669 569450939 /nfs/dbraw/zinc/45/09/39/569450939.db2.gz BNURJPLYKRVXGB-FQEVSTJZSA-N 0 0 438.622 5.068 50 0 IKAARN Cc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003433837 569450966 /nfs/dbraw/zinc/45/09/66/569450966.db2.gz ZMSBJVCTJQYYLI-UHFFFAOYSA-N 0 0 426.516 5.319 50 0 IKAARN Cc1ccc(-c2nnc(S[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)n2N)cc1 ZINC000003440510 569451215 /nfs/dbraw/zinc/45/12/15/569451215.db2.gz WFDMUUIVCUXOSZ-QFIPXVFZSA-N 0 0 443.576 5.056 50 0 IKAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)o2)c1 ZINC000003441205 569451218 /nfs/dbraw/zinc/45/12/18/569451218.db2.gz FZKPYTNWODISPR-UHFFFAOYSA-N 0 0 445.544 5.663 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000003443827 569451352 /nfs/dbraw/zinc/45/13/52/569451352.db2.gz GWVGVVDFSBFWAM-KRWDZBQOSA-N 0 0 432.476 5.088 50 0 IKAARN COc1ccc(CN(C)c2ncnc3scc(-c4ccc(F)cc4)c32)c(OC)c1OC ZINC000003445534 569451382 /nfs/dbraw/zinc/45/13/82/569451382.db2.gz GCGCRUVYWQUHKI-UHFFFAOYSA-N 0 0 439.512 5.160 50 0 IKAARN Cc1ccc(-n2c(SCc3coc(-c4cccs4)n3)nnc2-c2ccccc2)cc1C ZINC000003446044 569451400 /nfs/dbraw/zinc/45/14/00/569451400.db2.gz HDGXRAYFPQXSPM-UHFFFAOYSA-N 0 0 444.585 6.560 50 0 IKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccccc2)cc1 ZINC000003446833 569451426 /nfs/dbraw/zinc/45/14/26/569451426.db2.gz JWCOYMCBERZCKI-NRFANRHFSA-N 0 0 445.500 5.246 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000003446837 569451462 /nfs/dbraw/zinc/45/14/62/569451462.db2.gz AIBBLDAVWHKKHQ-IERDGZPVSA-N 0 0 445.592 5.856 50 0 IKAARN Cc1ccc2c(CSc3nc(=O)c4c(-c5cccs5)csc4[nH]3)cc(=O)oc2c1 ZINC000003450540 569451589 /nfs/dbraw/zinc/45/15/89/569451589.db2.gz GWLRPAUJJBBTFN-UHFFFAOYSA-N 0 0 438.555 5.420 50 0 IKAARN C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003450720 569451602 /nfs/dbraw/zinc/45/16/02/569451602.db2.gz GBQWTCRQMVKKHB-KRWDZBQOSA-N 0 0 434.590 5.199 50 0 IKAARN COc1ccc(Cl)cc1-c1nc(SCCOc2cccc(Br)c2)n[nH]1 ZINC000003450142 569451603 /nfs/dbraw/zinc/45/16/03/569451603.db2.gz DRTSPTKVDSLAPN-UHFFFAOYSA-N 0 0 440.750 5.067 50 0 IKAARN Cc1ccc(CN(C)Cn2nc(-c3ccc(C)cc3)n(-c3ccccc3C(C)C)c2=S)o1 ZINC000003453693 569451727 /nfs/dbraw/zinc/45/17/27/569451727.db2.gz AEJCLDRWUVXYHA-UHFFFAOYSA-N 0 0 446.620 6.493 50 0 IKAARN O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1cc(F)c(F)cc1Cl ZINC000003458520 569451821 /nfs/dbraw/zinc/45/18/21/569451821.db2.gz BBALFQJWGKNFCW-UHFFFAOYSA-N 0 0 438.933 6.784 50 0 IKAARN COc1cccc(CN[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 ZINC000003476718 569452230 /nfs/dbraw/zinc/45/22/30/569452230.db2.gz AREIIBMOMBLEJN-NRFANRHFSA-N 0 0 448.872 5.837 50 0 IKAARN Cc1sc2ncnc(SCc3nnc(-c4ccccc4Br)o3)c2c1C ZINC000003495345 569452646 /nfs/dbraw/zinc/45/26/46/569452646.db2.gz LZLKZVSVLPNJRO-UHFFFAOYSA-N 0 0 433.356 5.413 50 0 IKAARN CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000003534175 569453479 /nfs/dbraw/zinc/45/34/79/569453479.db2.gz RZBJQBXZCXWDPW-UHFFFAOYSA-N 0 0 428.557 5.291 50 0 IKAARN Cc1nnc(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)n1Cc1ccccc1 ZINC000003533820 569453508 /nfs/dbraw/zinc/45/35/08/569453508.db2.gz LURIVUNFGUELKQ-XMMPIXPASA-N 0 0 447.535 5.674 50 0 IKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(CC)c2ccccc2)s1 ZINC000003556747 569453888 /nfs/dbraw/zinc/45/38/88/569453888.db2.gz BTKLOTJOKWKQME-HNNXBMFYSA-N 0 0 428.583 5.214 50 0 IKAARN Cc1ccccc1Cn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC000003581678 569454305 /nfs/dbraw/zinc/45/43/05/569454305.db2.gz AUMZDPASYPDSTE-UHFFFAOYSA-N 0 0 430.529 5.458 50 0 IKAARN O=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000003581544 569454320 /nfs/dbraw/zinc/45/43/20/569454320.db2.gz XTHJBUBJNGUKEE-UHFFFAOYSA-N 0 0 448.519 5.331 50 0 IKAARN CCOc1ccc(Nc2cc(C(=O)N[C@H](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000003586221 569454498 /nfs/dbraw/zinc/45/44/98/569454498.db2.gz BJYVRFREBQWXOS-HXUWFJFHSA-N 0 0 439.559 6.128 50 0 IKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1cn(C)c2ccccc12)Cc1ccccc1 ZINC000003585973 569454537 /nfs/dbraw/zinc/45/45/37/569454537.db2.gz RHRCBWVAKKLGMB-UHFFFAOYSA-N 0 0 434.008 6.539 50 0 IKAARN CSc1cccc(NC(=S)N(Cc2cn(C)c3ccccc23)Cc2ccccc2)c1 ZINC000003585985 569454538 /nfs/dbraw/zinc/45/45/38/569454538.db2.gz OPZNUCYTVJVUDX-UHFFFAOYSA-N 0 0 431.630 6.299 50 0 IKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc2c(c1)NC(=O)CS2 ZINC000031182447 569454577 /nfs/dbraw/zinc/45/45/77/569454577.db2.gz NRFYUTHDHOINJN-UHFFFAOYSA-N 0 0 435.452 5.125 50 0 IKAARN COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n32)cc1OC ZINC000015772903 569454788 /nfs/dbraw/zinc/45/47/88/569454788.db2.gz FEYADLYHVICVKM-FYWRMAATSA-N 0 0 437.499 5.406 50 0 IKAARN CCOC(=O)c1sc2nc(CNCc3ccccc3)nc(NCc3ccccc3)c2c1C ZINC000058450302 569454904 /nfs/dbraw/zinc/45/49/04/569454904.db2.gz BAKNESPOPDRFJG-UHFFFAOYSA-N 0 0 446.576 5.078 50 0 IKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4)cc3n2)cc1 ZINC000003629328 569455191 /nfs/dbraw/zinc/45/51/91/569455191.db2.gz PIANSZAEYMRBNF-UHFFFAOYSA-N 0 0 446.816 5.329 50 0 IKAARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000031264674 569455289 /nfs/dbraw/zinc/45/52/89/569455289.db2.gz NSRZCEVIIUIMPO-OAQYLSRUSA-N 0 0 425.488 5.107 50 0 IKAARN Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)c(Cl)c2)c3=O)c1 ZINC000003631795 569455381 /nfs/dbraw/zinc/45/53/81/569455381.db2.gz CMCSZLGTPYPCNW-UHFFFAOYSA-N 0 0 439.899 5.028 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000003635141 569455412 /nfs/dbraw/zinc/45/54/12/569455412.db2.gz BAORTXSCOJTBTM-QHCPKHFHSA-N 0 0 425.575 5.010 50 0 IKAARN Cc1cc(Cl)ccc1OCC(=O)[C@H](Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000003651236 569455684 /nfs/dbraw/zinc/45/56/84/569455684.db2.gz GRRSDGZDLSHUJI-GOSISDBHSA-N 0 0 433.335 5.815 50 0 IKAARN O=C(NCc1ccccc1Cl)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000003655129 569455722 /nfs/dbraw/zinc/45/57/22/569455722.db2.gz ZVMFSMIIWZPLOS-UHFFFAOYSA-N 0 0 439.367 6.623 50 0 IKAARN COc1ccccc1CNC(=O)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000003655145 569455742 /nfs/dbraw/zinc/45/57/42/569455742.db2.gz VGOGIXWJHCARAE-UHFFFAOYSA-N 0 0 434.948 5.978 50 0 IKAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3Cl)c3ccccc3C(=O)N2C)cc1 ZINC000003657699 569455805 /nfs/dbraw/zinc/45/58/05/569455805.db2.gz GRWUHAUYAFUWOP-YADHBBJMSA-N 0 0 438.886 5.037 50 0 IKAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3Cl)c3ccccc3C(=O)N2C)cc1 ZINC000003657701 569455821 /nfs/dbraw/zinc/45/58/21/569455821.db2.gz GRWUHAUYAFUWOP-FGZHOGPDSA-N 0 0 438.886 5.037 50 0 IKAARN CCOC(CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)OCC ZINC000003658341 569455860 /nfs/dbraw/zinc/45/58/60/569455860.db2.gz MSEJMFOTZOZBRI-UHFFFAOYSA-N 0 0 430.957 5.168 50 0 IKAARN Cc1ccc(Sc2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000003658317 569455866 /nfs/dbraw/zinc/45/58/66/569455866.db2.gz YPXPMKRRXRBLHD-UHFFFAOYSA-N 0 0 428.513 5.353 50 0 IKAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003658354 569455870 /nfs/dbraw/zinc/45/58/70/569455870.db2.gz LQTMSKGKCFISAC-UHFFFAOYSA-N 0 0 448.931 5.698 50 0 IKAARN CCOC(=O)c1ccc(NC(=S)N(Cc2cccnc2)Cc2ccccc2Cl)cc1 ZINC000003662279 569455971 /nfs/dbraw/zinc/45/59/71/569455971.db2.gz DXISDGCRKWLIKS-UHFFFAOYSA-N 0 0 439.968 5.311 50 0 IKAARN COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 ZINC000003664780 569456006 /nfs/dbraw/zinc/45/60/06/569456006.db2.gz JQUHPMDAVWGISJ-UHFFFAOYSA-N 0 0 449.557 5.288 50 0 IKAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000031336292 569456037 /nfs/dbraw/zinc/45/60/37/569456037.db2.gz CWBLVCJAXDHIQB-ZDUSSCGKSA-N 0 0 435.380 5.069 50 0 IKAARN CC(C)OCc1ccccc1CNC(=O)c1cc(Br)c(Br)s1 ZINC000031340195 569456094 /nfs/dbraw/zinc/45/60/94/569456094.db2.gz NXPNLFJHZHMGTF-UHFFFAOYSA-N 0 0 447.192 5.128 50 0 IKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000031380652 569456205 /nfs/dbraw/zinc/45/62/05/569456205.db2.gz SGOWLKCODAIXHA-GOSISDBHSA-N 0 0 444.556 5.852 50 0 IKAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cc(F)cc2cccnc21 ZINC000031610757 569456878 /nfs/dbraw/zinc/45/68/78/569456878.db2.gz JARSCLAEYVERTN-UHFFFAOYSA-N 0 0 437.540 5.191 50 0 IKAARN C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1nc(C(C)(C)C)no1 ZINC000031697080 569456973 /nfs/dbraw/zinc/45/69/73/569456973.db2.gz SEZPIOCXULICBW-GFCCVEGCSA-N 0 0 426.567 5.196 50 0 IKAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cnn3c2nccc3-c2cccs2)cs1 ZINC000031782643 569457382 /nfs/dbraw/zinc/45/73/82/569457382.db2.gz QCDNKJIPOBFVDJ-UHFFFAOYSA-N 0 0 443.557 5.093 50 0 IKAARN CCCC1CCC(c2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000003997757 569457611 /nfs/dbraw/zinc/45/76/11/569457611.db2.gz JRCBPUBTSOJYRH-UHFFFAOYSA-N 0 0 443.381 6.563 50 0 IKAARN 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 ZINC000003999423 569457689 /nfs/dbraw/zinc/45/76/89/569457689.db2.gz AYNSZTKDERUHKJ-UNKHHZGDSA-N 0 0 431.620 5.198 50 0 biogenic IKAARN Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000031814487 569457900 /nfs/dbraw/zinc/45/79/00/569457900.db2.gz CJTJHTLRTJEVMB-UHFFFAOYSA-N 0 0 449.294 5.867 50 0 IKAARN CC(C)c1c(C(=O)Nc2nc(C(C)(C)C)cs2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031835543 569458115 /nfs/dbraw/zinc/45/81/15/569458115.db2.gz CRFPGSYZWXLRMI-UHFFFAOYSA-N 0 0 437.491 5.416 50 0 IKAARN Nc1c(-c2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1ccc(Br)cc1 ZINC000031848418 569458119 /nfs/dbraw/zinc/45/81/19/569458119.db2.gz JPOFELATGOLTMZ-UHFFFAOYSA-N 0 0 431.293 5.058 50 0 IKAARN Fc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1Cl ZINC000004012750 569458145 /nfs/dbraw/zinc/45/81/45/569458145.db2.gz JBCYLPHPRQTOSO-OAQYLSRUSA-N 0 0 429.720 6.597 50 0 IKAARN CCCCCc1ccc(-c2nc(-c3ccc(C4CCC(CCCCC)CC4)cc3)no2)cc1 ZINC000004020420 569458197 /nfs/dbraw/zinc/45/81/97/569458197.db2.gz ZCRCQBMBGWMEDR-UHFFFAOYSA-N 0 0 444.663 8.990 50 0 IKAARN CC(=O)OC1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000004023130 569458249 /nfs/dbraw/zinc/45/82/49/569458249.db2.gz YXUGUUGNHVVXAI-LIFKPSPXSA-N 0 0 428.701 8.165 50 0 biogenic IKAARN CCCCc1c(C)c(C(=O)OCC)[nH]c1Cc1[nH]c(C(=O)OCC)c(C)c1CCCC ZINC000004026559 569458278 /nfs/dbraw/zinc/45/82/78/569458278.db2.gz GQRFRQRLSWCWCV-UHFFFAOYSA-N 0 0 430.589 5.589 50 0 biogenic IKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)CC1=O ZINC000031903459 569458339 /nfs/dbraw/zinc/45/83/39/569458339.db2.gz AGNGIISVOPLPSW-OAQYLSRUSA-N 0 0 433.596 5.663 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccc(OC)cc1 ZINC000004043175 569458358 /nfs/dbraw/zinc/45/83/58/569458358.db2.gz JSHXXHUKOLMTHC-XCZPVHLTSA-N 0 0 437.624 5.905 50 0 biogenic IKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccc(OC)cc1 ZINC000004043180 569458388 /nfs/dbraw/zinc/45/83/88/569458388.db2.gz JSHXXHUKOLMTHC-IXCJQBJRSA-N 0 0 437.624 5.905 50 0 biogenic IKAARN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000004090535 569458924 /nfs/dbraw/zinc/45/89/24/569458924.db2.gz RPFAWWHOVDJQAS-UHFFFAOYSA-N 0 0 429.501 5.120 50 0 IKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000004090506 569458929 /nfs/dbraw/zinc/45/89/29/569458929.db2.gz XLSAJCOVZACEET-UHFFFAOYSA-N 0 0 445.613 6.388 50 0 IKAARN O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc2ccccc21 ZINC000004090606 569458935 /nfs/dbraw/zinc/45/89/35/569458935.db2.gz IRWIMMQLMAXGTO-UHFFFAOYSA-N 0 0 432.932 6.412 50 0 IKAARN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 ZINC000004091257 569458942 /nfs/dbraw/zinc/45/89/42/569458942.db2.gz ZFUMSUACGUTAOF-UHFFFAOYSA-N 0 0 429.545 5.674 50 0 IKAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1c(C)cc(Br)cc1C ZINC000004091565 569458953 /nfs/dbraw/zinc/45/89/53/569458953.db2.gz WBCMTEPGCYJMAK-UHFFFAOYSA-N 0 0 443.366 5.355 50 0 IKAARN Cc1nc(-c2ccccc2)ccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000032040090 569459011 /nfs/dbraw/zinc/45/90/11/569459011.db2.gz OAKUTWKDBHUFJR-HUUCEWRRSA-N 0 0 430.392 5.696 50 0 IKAARN Cc1nc(-c2ccccc2)ccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000032040092 569459033 /nfs/dbraw/zinc/45/90/33/569459033.db2.gz OAKUTWKDBHUFJR-GJZGRUSLSA-N 0 0 430.392 5.696 50 0 IKAARN O=C(Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1)c1sc2ccccc2c1Cl ZINC000032073810 569459290 /nfs/dbraw/zinc/45/92/90/569459290.db2.gz KNXBYFBQRSWKNJ-UHFFFAOYSA-N 0 0 440.311 6.664 50 0 IKAARN Cc1sc2c(c1C)c1nc(Cc3ccccc3)nn1c(=O)n2Cc1ccc(Cl)cc1 ZINC000032091349 569459577 /nfs/dbraw/zinc/45/95/77/569459577.db2.gz IVQAPMVGCNVBFH-UHFFFAOYSA-N 0 0 434.952 5.015 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000032091466 569459621 /nfs/dbraw/zinc/45/96/21/569459621.db2.gz NMPORSDIODYOGW-MRXNPFEDSA-N 0 0 434.805 5.394 50 0 IKAARN COc1ccc(C2=NN(c3ccc(C(C)(C)C)cc3)[C@H](c3ccc(SC)cc3)C2)cc1 ZINC000004118590 569459632 /nfs/dbraw/zinc/45/96/32/569459632.db2.gz VATPOSKYCHJWHO-SANMLTNESA-N 0 0 430.617 7.070 50 0 IKAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032092889 569459726 /nfs/dbraw/zinc/45/97/26/569459726.db2.gz UOTUFHUIBVNWIM-INIZCTEOSA-N 0 0 432.377 5.188 50 0 IKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000004122967 569459998 /nfs/dbraw/zinc/45/99/98/569459998.db2.gz LKMVEAHLYSGUQO-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1 ZINC000004122732 569460009 /nfs/dbraw/zinc/46/00/09/569460009.db2.gz ZXWKOIJWCOLWGH-UHFFFAOYSA-N 0 0 445.544 5.754 50 0 IKAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000004122972 569460016 /nfs/dbraw/zinc/46/00/16/569460016.db2.gz DEAGUWNHKCCJQA-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)CC(C)C ZINC000004122731 569460029 /nfs/dbraw/zinc/46/00/29/569460029.db2.gz XDGXFXSQJULPTO-UHFFFAOYSA-N 0 0 425.554 5.486 50 0 IKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)c(C)c1 ZINC000004122973 569460043 /nfs/dbraw/zinc/46/00/43/569460043.db2.gz XBDCMYQBVJATGO-UHFFFAOYSA-N 0 0 429.545 5.855 50 0 IKAARN COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccccc3)n1C1CCCCC1)C2 ZINC000032101320 569460053 /nfs/dbraw/zinc/46/00/53/569460053.db2.gz YGIXLGAFUMJIGE-JOCHJYFZSA-N 0 0 449.576 5.367 50 0 IKAARN O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000032101573 569460097 /nfs/dbraw/zinc/46/00/97/569460097.db2.gz COCGQFYEWPFTAT-QHCPKHFHSA-N 0 0 432.495 5.182 50 0 IKAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1Cl ZINC000032102864 569460189 /nfs/dbraw/zinc/46/01/89/569460189.db2.gz IFXKDHLGOOATTI-INIZCTEOSA-N 0 0 445.306 5.345 50 0 IKAARN CC(C)c1ccc2c(c1)[C@@]1(CC(=O)Nc3c1cnn3-c1ccc(C(F)(F)F)cc1)C(=O)N2 ZINC000032105563 569460233 /nfs/dbraw/zinc/46/02/33/569460233.db2.gz MGSROIBHBGPMDK-JOCHJYFZSA-N 0 0 440.425 5.244 50 0 IKAARN CSc1cccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 ZINC000032105980 569460277 /nfs/dbraw/zinc/46/02/77/569460277.db2.gz PEQHNPMELGIMSD-KRWDZBQOSA-N 0 0 426.929 5.405 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000004145561 569460457 /nfs/dbraw/zinc/46/04/57/569460457.db2.gz AKZYEEGCXDAWJI-UHFFFAOYSA-N 0 0 449.885 6.800 50 0 IKAARN COC(=O)c1ccccc1CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 ZINC000004145805 569460467 /nfs/dbraw/zinc/46/04/67/569460467.db2.gz ZXJHOWFUOYQWCM-UHFFFAOYSA-N 0 0 429.545 5.245 50 0 IKAARN CC(C)(C)Nc1c(-c2ccc(C(C)(C)C)cc2)nc2c(OCc3ccccc3)cccn21 ZINC000004157547 569460561 /nfs/dbraw/zinc/46/05/61/569460561.db2.gz VITCVKCCYYUILI-UHFFFAOYSA-N 0 0 427.592 7.088 50 0 IKAARN OCc1cnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1cccc(C(F)(F)F)c1 ZINC000004158092 569460590 /nfs/dbraw/zinc/46/05/90/569460590.db2.gz GNMBDBAUVNYCMJ-UHFFFAOYSA-N 0 0 446.416 5.754 50 0 IKAARN CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccc(-c4ccccc4)cc3)oc2cc1O ZINC000004177459 569460686 /nfs/dbraw/zinc/46/06/86/569460686.db2.gz XMMISJXKZSXUSA-HYOGKJQXSA-N 0 0 440.543 6.260 50 0 IKAARN Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccccc1C(F)(F)F ZINC000004185744 569460774 /nfs/dbraw/zinc/46/07/74/569460774.db2.gz WTNJDSKHKRDTCV-UHFFFAOYSA-N 0 0 439.506 6.478 50 0 IKAARN CCOC(=O)c1csc(CSc2nnc(-c3ccco3)n2-c2cccc(Cl)c2)n1 ZINC000004187024 569460796 /nfs/dbraw/zinc/46/07/96/569460796.db2.gz VZJTUPLZFVDGFK-UHFFFAOYSA-N 0 0 446.941 5.106 50 0 IKAARN Cc1ccccc1-n1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000004189707 569460815 /nfs/dbraw/zinc/46/08/15/569460815.db2.gz SWZUFZULXYNIMI-UHFFFAOYSA-N 0 0 444.362 6.981 50 0 IKAARN COC(=O)c1ccccc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1C ZINC000004186070 569460816 /nfs/dbraw/zinc/46/08/16/569460816.db2.gz BAFISYSXDXPCDX-UHFFFAOYSA-N 0 0 429.545 5.245 50 0 IKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 ZINC000004193591 569460844 /nfs/dbraw/zinc/46/08/44/569460844.db2.gz HUQRNDUHICMJEI-VAXLJGHUSA-N 0 0 430.529 5.220 50 0 IKAARN CC[C@@H](C)N(Cc1cccc(OS(C)(=O)=O)c1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000004197871 569460849 /nfs/dbraw/zinc/46/08/49/569460849.db2.gz CFRBIAHWAGXZBE-LJQANCHMSA-N 0 0 437.561 5.133 50 0 IKAARN CN(C)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C(=O)NCCc1ccccc1 ZINC000004190304 569460850 /nfs/dbraw/zinc/46/08/50/569460850.db2.gz PRIFLYXQWRYEQD-UHFFFAOYSA-N 0 0 436.943 5.023 50 0 IKAARN COc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccccc1 ZINC000004195847 569460862 /nfs/dbraw/zinc/46/08/62/569460862.db2.gz AMRWSYUMANDNRQ-UHFFFAOYSA-N 0 0 442.540 6.237 50 0 IKAARN Cc1oc2ccc(OCC(=O)c3ccc(Br)cc3)cc2c1C(=O)OC(C)C ZINC000004200957 569460914 /nfs/dbraw/zinc/46/09/14/569460914.db2.gz ZNLLJSIFGILEAC-UHFFFAOYSA-N 0 0 431.282 5.331 50 0 IKAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccccc2C)c1 ZINC000004211655 569460963 /nfs/dbraw/zinc/46/09/63/569460963.db2.gz JOTDTBTZHWEWIV-UHFFFAOYSA-N 0 0 435.524 5.691 50 0 IKAARN COc1cccc(CSc2nnc(-c3cc(OC)cc(OC)c3)n2-c2ccc(C)cc2)c1 ZINC000004211374 569460988 /nfs/dbraw/zinc/46/09/88/569460988.db2.gz JSGPQJJYKPVMAU-UHFFFAOYSA-N 0 0 447.560 5.561 50 0 IKAARN COC(=O)c1cccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2C)c1 ZINC000004211447 569461003 /nfs/dbraw/zinc/46/10/03/569461003.db2.gz YXONQUQGKHQCJD-UHFFFAOYSA-N 0 0 445.544 5.330 50 0 IKAARN CCc1ccccc1NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 ZINC000004211556 569461006 /nfs/dbraw/zinc/46/10/06/569461006.db2.gz CPYOZULYDUDTNG-UHFFFAOYSA-N 0 0 438.980 6.347 50 0 IKAARN CCC[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C)C(=O)OCC ZINC000004212013 569461062 /nfs/dbraw/zinc/46/10/62/569461062.db2.gz BPCCAFQONDULMH-HXUWFJFHSA-N 0 0 425.554 5.075 50 0 IKAARN Cc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 ZINC000004212095 569461063 /nfs/dbraw/zinc/46/10/63/569461063.db2.gz DQZFMNKLMUUZLF-UHFFFAOYSA-N 0 0 443.469 6.693 50 0 IKAARN Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000032307193 569461071 /nfs/dbraw/zinc/46/10/71/569461071.db2.gz RLVKXBBBKSBTEN-OAQYLSRUSA-N 0 0 443.591 5.057 50 0 IKAARN O=C(Nc1cc(Cl)ccc1O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000059421571 569461365 /nfs/dbraw/zinc/46/13/65/569461365.db2.gz YVPCLYFOEMVVBJ-UHFFFAOYSA-N 0 0 440.890 5.675 50 0 IKAARN CCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCCCC)cn3)cc2)cc1 ZINC000004255553 569461418 /nfs/dbraw/zinc/46/14/18/569461418.db2.gz FCDZLJMNYINJRW-UHFFFAOYSA-N 0 0 431.576 7.270 50 0 IKAARN Cc1ccc(N(CCCN2C(=O)c3cccc4cccc(c43)C2=O)C(=O)C(C)(C)C)c(C)c1 ZINC000004256936 569461482 /nfs/dbraw/zinc/46/14/82/569461482.db2.gz DHFYEJKVBXORPM-UHFFFAOYSA-N 0 0 442.559 5.522 50 0 IKAARN CCN(CC)P(=NN=C1C=C(Cl)C(=O)C(Cl)=C1)(N(CC)CC)N(CC)CC ZINC000015906498 569461498 /nfs/dbraw/zinc/46/14/98/569461498.db2.gz WWQPXIOMISVRBT-UHFFFAOYSA-N 0 0 436.368 5.142 50 0 IKAARN O=C(CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3)c1ccccc1 ZINC000059514332 569461716 /nfs/dbraw/zinc/46/17/16/569461716.db2.gz RLFWLQOOHSVBOQ-DEOSSOPVSA-N 0 0 434.586 5.599 50 0 IKAARN Cc1ccc(OCCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c(C)c1 ZINC000032461688 569461838 /nfs/dbraw/zinc/46/18/38/569461838.db2.gz UWSJVSYCCPEYIN-UHFFFAOYSA-N 0 0 448.588 5.279 50 0 IKAARN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)CC(C)(C)C)cc3oc2C(F)(F)F)cc1 ZINC000004290951 569461863 /nfs/dbraw/zinc/46/18/63/569461863.db2.gz NESZXUPGRSRYJW-UHFFFAOYSA-N 0 0 434.410 6.254 50 0 IKAARN CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(OCC)cc3)cc2)cc1 ZINC000004291145 569461870 /nfs/dbraw/zinc/46/18/70/569461870.db2.gz CHZXSIRTGPSDPT-UHFFFAOYSA-N 0 0 446.547 5.698 50 0 IKAARN Cc1ccc(Oc2c(=O)c3ccc(OCc4ccc(F)cc4)cc3oc2C(F)(F)F)cc1 ZINC000004290957 569461901 /nfs/dbraw/zinc/46/19/01/569461901.db2.gz XYFOOXPNAJGTCM-UHFFFAOYSA-N 0 0 444.380 6.631 50 0 IKAARN Cc1nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n(C2CCCCC2)c1C ZINC000007988977 569462074 /nfs/dbraw/zinc/46/20/74/569462074.db2.gz MXLQLHXSWUYXFT-INIZCTEOSA-N 0 0 429.655 6.015 50 0 IKAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)n1 ZINC000066409980 569462148 /nfs/dbraw/zinc/46/21/48/569462148.db2.gz PWPXWDZZLPVBRI-UHFFFAOYSA-N 0 0 445.573 5.721 50 0 IKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 ZINC000008343136 569462576 /nfs/dbraw/zinc/46/25/76/569462576.db2.gz AUSIFOLHISRMCF-NRFANRHFSA-N 0 0 426.944 5.233 50 0 IKAARN CC[C@@H](NC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 ZINC000008326969 569462605 /nfs/dbraw/zinc/46/26/05/569462605.db2.gz XPHQYQCSUJVFEB-XHCQPMFESA-N 0 0 428.527 5.269 50 0 IKAARN Brc1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 ZINC000008386340 569462650 /nfs/dbraw/zinc/46/26/50/569462650.db2.gz GVJMVYKQDNRJPG-HSZRJFAPSA-N 0 0 432.317 6.475 50 0 IKAARN CCCCCC1CCC(C(=O)Oc2ccc(C(=O)Oc3ccc(Cl)cc3)c(C)c2)CC1 ZINC000008383568 569462668 /nfs/dbraw/zinc/46/26/68/569462668.db2.gz IOGLHBCGWGVYAS-UHFFFAOYSA-N 0 0 442.983 7.160 50 0 IKAARN Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(Cl)c2)cc1 ZINC000008386294 569462697 /nfs/dbraw/zinc/46/26/97/569462697.db2.gz YWTOWQBIFSWEHN-OAQYLSRUSA-N 0 0 446.175 7.112 50 0 IKAARN O=C(c1nnn(Cc2ccc(Cl)cc2Cl)c1C(=O)c1ccccc1)c1ccccc1 ZINC000008387109 569462739 /nfs/dbraw/zinc/46/27/39/569462739.db2.gz BDDXVMYTZXDSFJ-UHFFFAOYSA-N 0 0 436.298 5.095 50 0 IKAARN Cc1nc(-c2nnn(-c3ccc(C)cc3)c2C)sc1C(=O)NCc1ccc(C(C)C)cc1 ZINC000038487648 569462963 /nfs/dbraw/zinc/46/29/63/569462963.db2.gz VIROEVFPVZJMPV-UHFFFAOYSA-N 0 0 445.592 5.369 50 0 IKAARN O=C(/C=C/c1ccco1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000038533977 569463223 /nfs/dbraw/zinc/46/32/23/569463223.db2.gz UPXHZPHRHHMMOD-OUKQBFOZSA-N 0 0 441.531 5.160 50 0 IKAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)cc1 ZINC000008395329 569463282 /nfs/dbraw/zinc/46/32/82/569463282.db2.gz OKLBQGSHGVSZRL-MRXNPFEDSA-N 0 0 425.554 5.345 50 0 IKAARN CCc1cc([C@H](c2ccc3c(c2)OCO3)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545944 569463286 /nfs/dbraw/zinc/46/32/86/569463286.db2.gz XOICEHIOLZCCCC-QFIPXVFZSA-N 0 0 438.549 5.460 50 0 IKAARN CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545921 569463309 /nfs/dbraw/zinc/46/33/09/569463309.db2.gz QXSAZXPMSRJTAR-OAQYLSRUSA-N 0 0 428.985 6.385 50 0 IKAARN CCc1cc([C@H](c2ccccc2Cl)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545926 569463342 /nfs/dbraw/zinc/46/33/42/569463342.db2.gz XDFOKYZBXFRMIB-NRFANRHFSA-N 0 0 428.985 6.385 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(Cl)c2)N2CCOCC2)c1C ZINC000038546077 569463379 /nfs/dbraw/zinc/46/33/79/569463379.db2.gz GARWYASFCAXRHC-FQEVSTJZSA-N 0 0 447.025 5.754 50 0 IKAARN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1cccs1)N1CCOCC1 ZINC000038546073 569463414 /nfs/dbraw/zinc/46/34/14/569463414.db2.gz OANBLECMUODEGD-NRFANRHFSA-N 0 0 442.606 5.109 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(Cl)cc2)N2CCOCC2)c1C ZINC000038546075 569463430 /nfs/dbraw/zinc/46/34/30/569463430.db2.gz UMBUEJLKNWPQEJ-FQEVSTJZSA-N 0 0 447.025 5.754 50 0 IKAARN Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCN(C)CC2)cc1 ZINC000038546510 569463608 /nfs/dbraw/zinc/46/36/08/569463608.db2.gz OSZAVWRHJSSPKN-XMMPIXPASA-N 0 0 449.620 5.117 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546647 569463667 /nfs/dbraw/zinc/46/36/67/569463667.db2.gz JCJIFHGSTTYAQV-JOCHJYFZSA-N 0 0 433.533 5.761 50 0 IKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccsc2)N2CCN(C)CC2)c1C ZINC000038546764 569463714 /nfs/dbraw/zinc/46/37/14/569463714.db2.gz OYFCXMFVTHIJBR-IBGZPJMESA-N 0 0 431.652 5.077 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)ccn2)c2ccccc2F)c1C ZINC000038547505 569463745 /nfs/dbraw/zinc/46/37/45/569463745.db2.gz JYTBFRMGFJZPDW-DEOSSOPVSA-N 0 0 445.563 6.661 50 0 IKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccncc2)c(NC(=O)c2ccccc2)s1 ZINC000038547067 569463755 /nfs/dbraw/zinc/46/37/55/569463755.db2.gz JOSSSRZPEZQZHN-HSZRJFAPSA-N 0 0 428.561 5.863 50 0 IKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)n2)c2ccc(F)cc2)c1C ZINC000038547041 569463805 /nfs/dbraw/zinc/46/38/05/569463805.db2.gz MLFBBFWUPNVHOI-XMMPIXPASA-N 0 0 445.563 6.661 50 0 IKAARN CCc1cc([C@H](Nc2ccccn2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038547046 569463809 /nfs/dbraw/zinc/46/38/09/569463809.db2.gz MVHNZNNMFHFCJT-HSZRJFAPSA-N 0 0 431.536 6.298 50 0 IKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000038547065 569463827 /nfs/dbraw/zinc/46/38/27/569463827.db2.gz KJFBSTILEYZOPZ-QHCPKHFHSA-N 0 0 428.561 5.863 50 0 IKAARN COc1cccc([C@H](Nc2cc(C)ccn2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547549 569463869 /nfs/dbraw/zinc/46/38/69/569463869.db2.gz ZVTLLRSHJBAXSM-QHCPKHFHSA-N 0 0 447.560 6.124 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)ccn2)c2ccc(F)cc2)c1C ZINC000038547578 569463883 /nfs/dbraw/zinc/46/38/83/569463883.db2.gz QXMOTJUXHHILCE-JOCHJYFZSA-N 0 0 435.524 6.254 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccccc2Cl)c1C ZINC000038547565 569463917 /nfs/dbraw/zinc/46/39/17/569463917.db2.gz IIMJNUUNMWJMLA-OAQYLSRUSA-N 0 0 437.952 6.460 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)n2)c2cccc(F)c2)c1C ZINC000038547590 569463929 /nfs/dbraw/zinc/46/39/29/569463929.db2.gz SWVGMFLOMPUYBN-JOCHJYFZSA-N 0 0 435.524 6.254 50 0 IKAARN CCc1cc([C@@H](Nc2ccccn2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038547757 569463931 /nfs/dbraw/zinc/46/39/31/569463931.db2.gz VDJNAEAQLJAEOE-NRFANRHFSA-N 0 0 437.952 6.406 50 0 IKAARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3nc4c(cc(C)cc4C)s3)s2)cc1 ZINC000038548607 569463933 /nfs/dbraw/zinc/46/39/33/569463933.db2.gz RDYQKLMZSUHZES-UHFFFAOYSA-N 0 0 437.590 6.072 50 0 IKAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000038548464 569463944 /nfs/dbraw/zinc/46/39/44/569463944.db2.gz AWXRNFPIDUUULI-UHFFFAOYSA-N 0 0 449.601 6.332 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2nc(C)cc(C)n2)c2ccc(C)cc2)c1C ZINC000038548141 569463950 /nfs/dbraw/zinc/46/39/50/569463950.db2.gz QWMFQCWZTDBYMV-JOCHJYFZSA-N 0 0 446.576 6.127 50 0 IKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2nc(C)cc(C)n2)c2ccccn2)c1C ZINC000038548132 569463964 /nfs/dbraw/zinc/46/39/64/569463964.db2.gz LFJRLOVDVXOWHJ-FQEVSTJZSA-N 0 0 433.537 5.214 50 0 IKAARN CCc1cc([C@H](Nc2nc(C)cc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038548182 569463973 /nfs/dbraw/zinc/46/39/73/569463973.db2.gz MMTHURAHYARUJI-NRFANRHFSA-N 0 0 448.617 6.233 50 0 IKAARN Cc1nc(COc2cc(C)ccc2C)sc1C(=O)Nc1nc2cc(C)c(C)cc2s1 ZINC000038548573 569463988 /nfs/dbraw/zinc/46/39/88/569463988.db2.gz IBNMAIZAVQXENE-UHFFFAOYSA-N 0 0 437.590 6.126 50 0 IKAARN O=C(NCCSc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000008403808 569464031 /nfs/dbraw/zinc/46/40/31/569464031.db2.gz NJWDBQOKMAQSRB-UHFFFAOYSA-N 0 0 448.440 6.808 50 0 IKAARN O=C(Nc1sc2c(c1[C@H](Nc1ccccn1)c1cccs1)CCCC2)c1ccco1 ZINC000038550674 569464034 /nfs/dbraw/zinc/46/40/34/569464034.db2.gz LZIAIKSIUXAWMN-OAQYLSRUSA-N 0 0 435.574 6.130 50 0 IKAARN Cc1cccc(N[C@H](c2cccc(I)c2)n2nnc3ccccc32)c1 ZINC000008426989 569464121 /nfs/dbraw/zinc/46/41/21/569464121.db2.gz ZKVDXDVQPSNXCO-FQEVSTJZSA-N 0 0 440.288 5.003 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Sc4ccccc4)cc3)[nH]2)cc1 ZINC000008424294 569464156 /nfs/dbraw/zinc/46/41/56/569464156.db2.gz SMWXNKKEMKXUKX-UHFFFAOYSA-N 0 0 434.564 7.571 50 0 IKAARN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000038587026 569464184 /nfs/dbraw/zinc/46/41/84/569464184.db2.gz GVEKUZAVDFYXTJ-FPOVZHCZSA-N 0 0 425.532 5.565 50 0 IKAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1COc1ccccc1 ZINC000008429325 569464209 /nfs/dbraw/zinc/46/42/09/569464209.db2.gz YVPJIUXPKGYARW-UHFFFAOYSA-N 0 0 425.532 5.057 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067190098 569464319 /nfs/dbraw/zinc/46/43/19/569464319.db2.gz JHJMANDVJLURQL-LVWGJNHUSA-N 0 0 434.293 5.383 50 0 IKAARN COc1cc(/C=C2/SC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000067192594 569464404 /nfs/dbraw/zinc/46/44/04/569464404.db2.gz PPZTZSMSZXLKJL-HZHRSRAPSA-N 0 0 431.513 5.824 50 0 IKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2c(Cl)cccc2Cl)cc1 ZINC000067197128 569464407 /nfs/dbraw/zinc/46/44/07/569464407.db2.gz MXKCJPDXAAMLJF-NFBKMPQASA-N 0 0 425.315 6.244 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C(c1ccccc1)c1ccccc1 ZINC000038615679 569464458 /nfs/dbraw/zinc/46/44/58/569464458.db2.gz DCEGQJKKXWCCED-UHFFFAOYSA-N 0 0 435.549 5.740 50 0 IKAARN Brc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000008442310 569464540 /nfs/dbraw/zinc/46/45/40/569464540.db2.gz MPMCCKCTRJXIDK-VWLOTQADSA-N 0 0 442.356 6.882 50 0 IKAARN COc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000067206694 569464636 /nfs/dbraw/zinc/46/46/36/569464636.db2.gz DCZHFGBYDMRTQQ-UHFFFAOYSA-N 0 0 443.528 5.108 50 0 IKAARN O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000067206677 569464646 /nfs/dbraw/zinc/46/46/46/569464646.db2.gz UGLXUHDMLQUFRD-UHFFFAOYSA-N 0 0 447.947 5.753 50 0 IKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(F)cc1 ZINC000008442869 569464647 /nfs/dbraw/zinc/46/46/47/569464647.db2.gz OINPUFIINBWLPL-HSZRJFAPSA-N 0 0 437.858 5.136 50 0 IKAARN Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1C ZINC000067206937 569464679 /nfs/dbraw/zinc/46/46/79/569464679.db2.gz DLDORXZRBIKFAP-UHFFFAOYSA-N 0 0 427.367 5.806 50 0 IKAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C)c1cccc(C)c1 ZINC000067209046 569464752 /nfs/dbraw/zinc/46/47/52/569464752.db2.gz DSARWKITHCVJFP-UHFFFAOYSA-N 0 0 449.601 5.209 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1C ZINC000067209363 569464811 /nfs/dbraw/zinc/46/48/11/569464811.db2.gz WKNWJMJQDUIXAR-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CCc1ccccc1NC(=O)CN(C)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000038624102 569464874 /nfs/dbraw/zinc/46/48/74/569464874.db2.gz BQNDYWQNPGBTEQ-AREMUKBSSA-N 0 0 425.532 5.225 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)ccc1C ZINC000067216914 569464905 /nfs/dbraw/zinc/46/49/05/569464905.db2.gz BKQGXIFMPHFFHG-UHFFFAOYSA-N 0 0 449.601 5.357 50 0 IKAARN Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c1 ZINC000067216944 569464923 /nfs/dbraw/zinc/46/49/23/569464923.db2.gz ASPGVDSPBQILOM-UHFFFAOYSA-N 0 0 435.574 5.103 50 0 IKAARN CC[C@@H]1CCc2nc3sc(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 ZINC000008451059 569465031 /nfs/dbraw/zinc/46/50/31/569465031.db2.gz IGTYJHNHTZSASS-KUCNNQCDSA-N 0 0 437.653 5.728 50 0 IKAARN COc1ccc([C@H]2c3cccc(Cl)c3[C@H](c3cccs3)c3cccc(Cl)c32)cc1 ZINC000008453472 569465108 /nfs/dbraw/zinc/46/51/08/569465108.db2.gz JIXMFTAUBAUKBR-DHLKQENFSA-N 0 0 437.391 7.737 50 0 IKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4nnc(SCC(C)C)s4)c(N)c3cc2C1 ZINC000008451062 569465123 /nfs/dbraw/zinc/46/51/23/569465123.db2.gz OLUPVAHCTTUVNS-NSHDSACASA-N 0 0 447.655 5.245 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@H](C)CC)cc1 ZINC000067239166 569465612 /nfs/dbraw/zinc/46/56/12/569465612.db2.gz YQYQMTCMHXNORV-MRXNPFEDSA-N 0 0 426.586 5.077 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@@H](C)CC)cc1 ZINC000067239164 569465630 /nfs/dbraw/zinc/46/56/30/569465630.db2.gz YQYQMTCMHXNORV-INIZCTEOSA-N 0 0 426.586 5.077 50 0 IKAARN CSc1ccc(-c2noc(-c3cn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245239 569465866 /nfs/dbraw/zinc/46/58/66/569465866.db2.gz CVOUWYZCJXAORW-UHFFFAOYSA-N 0 0 425.513 5.738 50 0 IKAARN COc1cccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)c1 ZINC000067245395 569465917 /nfs/dbraw/zinc/46/59/17/569465917.db2.gz CMUIKTCFTOYGPE-UHFFFAOYSA-N 0 0 429.863 5.370 50 0 IKAARN Cc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000067245640 569465968 /nfs/dbraw/zinc/46/59/68/569465968.db2.gz MPEIGECNUVKTNF-UHFFFAOYSA-N 0 0 434.970 5.096 50 0 IKAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(C(C)(C)C)cc2)c1 ZINC000067258763 569466147 /nfs/dbraw/zinc/46/61/47/569466147.db2.gz VCMRQIAYZNRNMB-UHFFFAOYSA-N 0 0 444.600 6.043 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccccc1Cl ZINC000067258530 569466153 /nfs/dbraw/zinc/46/61/53/569466153.db2.gz CLRCRTVGDWASAY-UHFFFAOYSA-N 0 0 427.356 6.044 50 0 IKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccc1Cl ZINC000067258532 569466158 /nfs/dbraw/zinc/46/61/58/569466158.db2.gz CSCWNQWTGQOIGR-UHFFFAOYSA-N 0 0 427.356 6.044 50 0 IKAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2cccc(Cl)c2)c1 ZINC000067258645 569466170 /nfs/dbraw/zinc/46/61/70/569466170.db2.gz WUVGCQDZYCPCOB-UHFFFAOYSA-N 0 0 438.936 5.349 50 0 IKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1CCc1ccccc1 ZINC000067259316 569466196 /nfs/dbraw/zinc/46/61/96/569466196.db2.gz IBNZMJFOZUZGTM-UHFFFAOYSA-N 0 0 440.490 5.950 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2ccccc2F)c1 ZINC000067259840 569466236 /nfs/dbraw/zinc/46/62/36/569466236.db2.gz BIOPEPVIJNRNQY-UHFFFAOYSA-N 0 0 446.503 5.631 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCCc2ccccc2)c1 ZINC000067259819 569466241 /nfs/dbraw/zinc/46/62/41/569466241.db2.gz MWIFRPWDLWQRAH-UHFFFAOYSA-N 0 0 442.540 5.534 50 0 IKAARN COc1cccc(Cn2c(=O)c3oc4ccccc4c3nc2SCc2ccc(F)cc2)c1 ZINC000067259843 569466248 /nfs/dbraw/zinc/46/62/48/569466248.db2.gz HLFYHXVNYVOUCZ-UHFFFAOYSA-N 0 0 446.503 5.631 50 0 IKAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccccc2C(F)(F)F)cc1 ZINC000067259479 569466251 /nfs/dbraw/zinc/46/62/51/569466251.db2.gz LZPUKNDGOAVHNU-UHFFFAOYSA-N 0 0 440.490 6.064 50 0 IKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(C(C)(C)C)cc2)cc1 ZINC000067259625 569466260 /nfs/dbraw/zinc/46/62/60/569466260.db2.gz FKSHSUGPONDZTP-UHFFFAOYSA-N 0 0 444.600 6.374 50 0 IKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(C(C)(C)C)cc1 ZINC000067259541 569466268 /nfs/dbraw/zinc/46/62/68/569466268.db2.gz UTDYNEFINUGUTH-UHFFFAOYSA-N 0 0 430.573 5.984 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000067260296 569466283 /nfs/dbraw/zinc/46/62/83/569466283.db2.gz HHMZHPWSFODCBP-UHFFFAOYSA-N 0 0 448.935 5.494 50 0 IKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccccc1F ZINC000067259914 569466288 /nfs/dbraw/zinc/46/62/88/569466288.db2.gz UQAYKOCRKIBACG-UHFFFAOYSA-N 0 0 434.920 5.730 50 0 IKAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3ccccc3C)c(=O)c12 ZINC000067260270 569466306 /nfs/dbraw/zinc/46/63/06/569466306.db2.gz QPKOIGANXFJIOG-UHFFFAOYSA-N 0 0 428.517 5.149 50 0 IKAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CCc3ccccc3)c(=O)c12 ZINC000067260416 569466359 /nfs/dbraw/zinc/46/63/59/569466359.db2.gz MKVSKTPEMDRZBW-UHFFFAOYSA-N 0 0 448.935 5.380 50 0 IKAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)cc1 ZINC000067260473 569466362 /nfs/dbraw/zinc/46/63/62/569466362.db2.gz OFVRWTLGUIMVEJ-UHFFFAOYSA-N 0 0 430.529 5.338 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5)n4ccn3n2)cc1 ZINC000067260693 569466388 /nfs/dbraw/zinc/46/63/88/569466388.db2.gz OKNSONJFXACZDH-UHFFFAOYSA-N 0 0 447.539 5.654 50 0 IKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5Cl)n4ccn3n2)cc1C ZINC000067260650 569466391 /nfs/dbraw/zinc/46/63/91/569466391.db2.gz GMYCHCOTEMBHJX-UHFFFAOYSA-N 0 0 437.931 5.746 50 0 IKAARN CCCCOc1ccc(-c2cc3c4nnc(SCc5ccc(C)cc5)n4ccn3n2)cc1 ZINC000067260670 569466407 /nfs/dbraw/zinc/46/64/07/569466407.db2.gz NXQHFQPMVIMVCC-UHFFFAOYSA-N 0 0 443.576 5.824 50 0 IKAARN CC(C)c1ccc(-c2cc3c4nn(Cc5ccc(C(C)(C)C)cc5)c(=O)n4ccn3n2)cc1 ZINC000067260562 569466424 /nfs/dbraw/zinc/46/64/24/569466424.db2.gz FKPCFQDEYZVCIZ-UHFFFAOYSA-N 0 0 439.563 5.280 50 0 IKAARN COc1ccc([C@H](C)Nc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 ZINC000067261526 569466514 /nfs/dbraw/zinc/46/65/14/569466514.db2.gz NZLYRKNJRYVRSF-HNNXBMFYSA-N 0 0 429.911 5.780 50 0 IKAARN CC(C)Oc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261524 569466524 /nfs/dbraw/zinc/46/65/24/569466524.db2.gz ITMYPCKHMVKOOI-UHFFFAOYSA-N 0 0 443.938 5.997 50 0 IKAARN Fc1ccc(-c2nnn3c2nc(NCc2cccc(C(F)(F)F)c2)c2ccccc23)cc1 ZINC000067261404 569466533 /nfs/dbraw/zinc/46/65/33/569466533.db2.gz JYPLJHPNGSLTGN-UHFFFAOYSA-N 0 0 437.400 5.715 50 0 IKAARN Fc1ccc(-c2nnn3c2nc(N2CCC(Cc4ccccc4)CC2)c2ccccc23)cc1 ZINC000067262655 569466708 /nfs/dbraw/zinc/46/67/08/569466708.db2.gz YPCQCVRWJXKROI-UHFFFAOYSA-N 0 0 437.522 5.543 50 0 IKAARN Cc1ccc(-c2cc3c(N4CCN(c5cc(Cl)ccc5C)CC4)nccn3n2)c(C)c1 ZINC000067285141 569466807 /nfs/dbraw/zinc/46/68/07/569466807.db2.gz YYZOOJXLNUIZOJ-UHFFFAOYSA-N 0 0 431.971 5.302 50 0 IKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(Br)cc1)N1CCCCC1 ZINC000067288480 569467452 /nfs/dbraw/zinc/46/74/52/569467452.db2.gz QNCJRYCQYWTRPM-UHFFFAOYSA-N 0 0 442.332 5.375 50 0 IKAARN COc1ccc([C@H](C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1OC ZINC000067288509 569467471 /nfs/dbraw/zinc/46/74/71/569467471.db2.gz FWTDAPZDQNSJDI-INIZCTEOSA-N 0 0 437.515 5.190 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1C ZINC000067289814 569467502 /nfs/dbraw/zinc/46/75/02/569467502.db2.gz RPZLUCWFXCQXFE-UHFFFAOYSA-N 0 0 436.968 5.706 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1C ZINC000067289786 569467538 /nfs/dbraw/zinc/46/75/38/569467538.db2.gz GGDWXPXEYYRJFG-UHFFFAOYSA-N 0 0 430.577 5.867 50 0 IKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4F)nccn3n2)cc1C ZINC000067289843 569467540 /nfs/dbraw/zinc/46/75/40/569467540.db2.gz NSKQSZPSEZWZAS-UHFFFAOYSA-N 0 0 440.931 5.536 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4CC)nccn3n2)cc1 ZINC000067290426 569467562 /nfs/dbraw/zinc/46/75/62/569467562.db2.gz ZVGJRJGJUBXNDX-UHFFFAOYSA-N 0 0 446.576 5.397 50 0 IKAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1ccccc1C(F)(F)F ZINC000067290066 569467593 /nfs/dbraw/zinc/46/75/93/569467593.db2.gz NKZXLTQJEGSMIJ-UHFFFAOYSA-N 0 0 434.468 5.207 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cc(C)ccc4C)nccn3n2)cc1 ZINC000067290431 569467594 /nfs/dbraw/zinc/46/75/94/569467594.db2.gz URTYQOPGKDGFRR-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)C)c4)nccn3n2)cc1 ZINC000067290527 569467597 /nfs/dbraw/zinc/46/75/97/569467597.db2.gz LTXIQIFQYWVGSA-UHFFFAOYSA-N 0 0 446.576 5.649 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(C)c4)nccn3n2)cc1 ZINC000067290570 569467606 /nfs/dbraw/zinc/46/76/06/569467606.db2.gz BPGYKLZTIWDKCV-UHFFFAOYSA-N 0 0 432.549 5.143 50 0 IKAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C(C)C)nccn3n2)cc1 ZINC000067290576 569467702 /nfs/dbraw/zinc/46/77/02/569467702.db2.gz SPTZXYLRMYSRAL-UHFFFAOYSA-N 0 0 446.576 5.649 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1Cl ZINC000067292960 569467744 /nfs/dbraw/zinc/46/77/44/569467744.db2.gz SQZXUIJIHJEYHV-UZGAPFOWSA-N 0 0 435.282 5.020 50 0 IKAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1F ZINC000067292980 569467794 /nfs/dbraw/zinc/46/77/94/569467794.db2.gz CWMKXFZFJPDJKI-ITGMQXESSA-N 0 0 435.282 5.020 50 0 IKAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1F ZINC000067292983 569467822 /nfs/dbraw/zinc/46/78/22/569467822.db2.gz XZCRFQKVJSIXQB-UZGAPFOWSA-N 0 0 435.282 5.020 50 0 IKAARN COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294463 569467894 /nfs/dbraw/zinc/46/78/94/569467894.db2.gz MUMWIBBPGMEBMV-PNHLSOANSA-N 0 0 434.879 5.588 50 0 IKAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)cc1C ZINC000067294984 569467897 /nfs/dbraw/zinc/46/78/97/569467897.db2.gz UIMZRMSWIIARTQ-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN Cc1cc(C)cc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 ZINC000067294986 569467910 /nfs/dbraw/zinc/46/79/10/569467910.db2.gz YFDKIFUYTGBMFG-RWEWTDSWSA-N 0 0 448.320 5.692 50 0 IKAARN COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1 ZINC000067294469 569467920 /nfs/dbraw/zinc/46/79/20/569467920.db2.gz STQYQYIEDAHXLD-PNHLSOANSA-N 0 0 434.879 5.588 50 0 IKAARN COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc(OC)c1 ZINC000067294909 569467930 /nfs/dbraw/zinc/46/79/30/569467930.db2.gz WJDXQYUMEUQOBF-GFMRDNFCSA-N 0 0 441.896 5.045 50 0 IKAARN Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 ZINC000067294971 569467935 /nfs/dbraw/zinc/46/79/35/569467935.db2.gz SJOUETRPCYLWMJ-LVWGJNHUSA-N 0 0 434.293 5.383 50 0 IKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)cc3C)oc21 ZINC000067295784 569467958 /nfs/dbraw/zinc/46/79/58/569467958.db2.gz ZQBZZQFXRFEZAP-PNHLSOANSA-N 0 0 433.895 5.591 50 0 IKAARN O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1F ZINC000067295287 569467963 /nfs/dbraw/zinc/46/79/63/569467963.db2.gz UGANOPCEVGJQOZ-NKFKGCMQSA-N 0 0 444.285 5.276 50 0 IKAARN COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067295204 569467967 /nfs/dbraw/zinc/46/79/67/569467967.db2.gz GDMBKCGGFCNXQX-PNHLSOANSA-N 0 0 449.894 5.292 50 0 IKAARN CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067295217 569467987 /nfs/dbraw/zinc/46/79/87/569467987.db2.gz SZKFAQKYEKUSRZ-RWEWTDSWSA-N 0 0 435.936 5.996 50 0 IKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)c(Cl)c3)oc21 ZINC000067295911 569468021 /nfs/dbraw/zinc/46/80/21/569468021.db2.gz OFBCCWXFBABCCI-CLCOLTQESA-N 0 0 429.860 5.175 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000067297250 569468023 /nfs/dbraw/zinc/46/80/23/569468023.db2.gz FXUMFORXDNFNMM-OLFWJLLRSA-N 0 0 436.433 6.553 50 0 IKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC(F)(F)F)cc2)nc1 ZINC000067296589 569468028 /nfs/dbraw/zinc/46/80/28/569468028.db2.gz CQTSAUIZIFNAMF-SLMZUGIISA-N 0 0 439.393 5.520 50 0 IKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC(F)(F)F)cc2)n1 ZINC000067296813 569468030 /nfs/dbraw/zinc/46/80/30/569468030.db2.gz JDVVWILDOKPVDM-SLMZUGIISA-N 0 0 439.393 5.520 50 0 IKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)cc1 ZINC000067297690 569468071 /nfs/dbraw/zinc/46/80/71/569468071.db2.gz WQPNKJVNEVMLOF-FAJYDZGRSA-N 0 0 438.405 5.945 50 0 IKAARN COC(=O)c1c(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)sc2c1CC[C@@H](C)C2 ZINC000067339258 569468972 /nfs/dbraw/zinc/46/89/72/569468972.db2.gz QAVSIVQRNFVZPS-FZKGZDJFSA-N 0 0 429.925 5.711 50 0 IKAARN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 ZINC000067339465 569468990 /nfs/dbraw/zinc/46/89/90/569468990.db2.gz CMZQPBDYJNSNES-MDZDMXLPSA-N 0 0 427.884 5.704 50 0 IKAARN COc1ccc(Cl)c(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)c1 ZINC000067341485 569469068 /nfs/dbraw/zinc/46/90/68/569469068.db2.gz ICEZBISBTGCBMG-UHFFFAOYSA-N 0 0 429.973 5.553 50 0 IKAARN Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(Cl)cc2)c1 ZINC000008573371 569469085 /nfs/dbraw/zinc/46/90/85/569469085.db2.gz AURKZCYNGSWQOB-COOPMVRXSA-N 0 0 433.895 5.075 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc1Cl ZINC000008575221 569469180 /nfs/dbraw/zinc/46/91/80/569469180.db2.gz XFUATPSGKBHAKJ-COOPMVRXSA-N 0 0 433.895 5.075 50 0 IKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)c1 ZINC000008613886 569469360 /nfs/dbraw/zinc/46/93/60/569469360.db2.gz HLOUYMSGWXNCMX-UHFFFAOYSA-N 0 0 444.944 5.732 50 0 IKAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000008633969 569469537 /nfs/dbraw/zinc/46/95/37/569469537.db2.gz PJGLYMJJKIYJDY-QGZVFWFLSA-N 0 0 445.544 5.382 50 0 IKAARN CCOCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000008654066 569469690 /nfs/dbraw/zinc/46/96/90/569469690.db2.gz ICSSFIOCNGUJPW-UHFFFAOYSA-N 0 0 428.602 5.128 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 ZINC000008657349 569469750 /nfs/dbraw/zinc/46/97/50/569469750.db2.gz WNLOVFKNUZDYTH-OAQYLSRUSA-N 0 0 425.532 5.231 50 0 IKAARN c1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc1-c1ccc2ccccc2c1 ZINC000008694704 569470127 /nfs/dbraw/zinc/47/01/27/569470127.db2.gz KVYMKQNZVQXAJO-HHHXNRCGSA-N 0 0 431.564 7.319 50 0 IKAARN Cc1cc([C@H]2CC=C(C)[C@@H](c3ccccc3)N2C(=O)c2ccccc2)cnc1-c1ccccc1 ZINC000008694723 569470134 /nfs/dbraw/zinc/47/01/34/569470134.db2.gz YMTDDDYWBVGJMJ-DGPALRBDSA-N 0 0 444.578 7.332 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C ZINC000008705473 569470389 /nfs/dbraw/zinc/47/03/89/569470389.db2.gz VVZGOMHJPSCWLZ-MRXNPFEDSA-N 0 0 440.569 5.554 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C ZINC000008705474 569470436 /nfs/dbraw/zinc/47/04/36/569470436.db2.gz VVZGOMHJPSCWLZ-INIZCTEOSA-N 0 0 440.569 5.554 50 0 IKAARN COc1ccccc1NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000008706827 569470554 /nfs/dbraw/zinc/47/05/54/569470554.db2.gz SVIVHTFPXLBBPE-UHFFFAOYSA-N 0 0 443.425 5.017 50 0 IKAARN Cc1cc(C)cc(-c2nnc(SCc3nnc(-c4ccccc4Br)o3)o2)c1 ZINC000008707448 569470634 /nfs/dbraw/zinc/47/06/34/569470634.db2.gz XCILNVMUJZLDLM-UHFFFAOYSA-N 0 0 443.326 5.458 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 ZINC000008708493 569470646 /nfs/dbraw/zinc/47/06/46/569470646.db2.gz QWCRBEMEOAHZBV-MRXNPFEDSA-N 0 0 431.517 5.532 50 0 IKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000008709004 569470739 /nfs/dbraw/zinc/47/07/39/569470739.db2.gz HGIZDRIWPBALGP-ZDUSSCGKSA-N 0 0 447.655 5.204 50 0 IKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000008709969 569470871 /nfs/dbraw/zinc/47/08/71/569470871.db2.gz DAKVAMIPCBWUOM-CYBMUJFWSA-N 0 0 444.354 5.161 50 0 IKAARN C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000008710435 569470910 /nfs/dbraw/zinc/47/09/10/569470910.db2.gz AFPCIPAIZGJXKC-QGZVFWFLSA-N 0 0 432.553 5.161 50 0 IKAARN Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000008711482 569470975 /nfs/dbraw/zinc/47/09/75/569470975.db2.gz XWCJYGHEAKKFSV-IBGZPJMESA-N 0 0 437.874 5.637 50 0 IKAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000008717821 569471173 /nfs/dbraw/zinc/47/11/73/569471173.db2.gz PCJQCZSDQZNHIC-LBPRGKRZSA-N 0 0 444.343 5.632 50 0 IKAARN Cc1sc(NC(=O)Cc2csc(-c3ccccc3)n2)nc1-c1ccc(Cl)cc1 ZINC000008717904 569471220 /nfs/dbraw/zinc/47/12/20/569471220.db2.gz NGZPZPXBYHDGRL-UHFFFAOYSA-N 0 0 425.966 6.077 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2Br)o1)N(C1=CCCCC1)C1CC1 ZINC000008719186 569471367 /nfs/dbraw/zinc/47/13/67/569471367.db2.gz DWIYZOSXNYRAET-UHFFFAOYSA-N 0 0 434.359 5.040 50 0 IKAARN Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000008720021 569471487 /nfs/dbraw/zinc/47/14/87/569471487.db2.gz GBLXGAYZLZGDNG-QHCPKHFHSA-N 0 0 427.529 5.123 50 0 IKAARN CCn1ccnc1S[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000008719938 569471496 /nfs/dbraw/zinc/47/14/96/569471496.db2.gz SWBNLNUQTBFYFU-KRWDZBQOSA-N 0 0 439.890 6.047 50 0 IKAARN O=C1c2ccccc2N[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CCCC1 ZINC000008720918 569471676 /nfs/dbraw/zinc/47/16/76/569471676.db2.gz LCODZWOOISOLFK-MHZLTWQESA-N 0 0 449.558 5.503 50 0 IKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008722376 569471815 /nfs/dbraw/zinc/47/18/15/569471815.db2.gz GMDGXPSKSJFLLN-JEOXALJRSA-N 0 0 443.366 5.750 50 0 IKAARN CC(C)(C)C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC000008724744 569472087 /nfs/dbraw/zinc/47/20/87/569472087.db2.gz FUQPDQRQGURAAQ-UHFFFAOYSA-N 0 0 434.359 5.056 50 0 IKAARN Cc1cccc(-c2nnc([C@H](C)Sc3ncc(-c4ccccc4)n3Cc3ccco3)o2)c1 ZINC000008725168 569472094 /nfs/dbraw/zinc/47/20/94/569472094.db2.gz RYKOICDLHXCINQ-SFHVURJKSA-N 0 0 442.544 6.403 50 0 IKAARN COCCn1c2ccccc2nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008725543 569472115 /nfs/dbraw/zinc/47/21/15/569472115.db2.gz GWKQOZRILXTMFJ-UHFFFAOYSA-N 0 0 443.878 5.086 50 0 IKAARN COc1cccc(Nc2nnc(SCc3nc(-c4ccccc4Cl)no3)s2)c1 ZINC000008725978 569472230 /nfs/dbraw/zinc/47/22/30/569472230.db2.gz DHOSZDBCHWOVLN-UHFFFAOYSA-N 0 0 431.930 5.286 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4ccccc43)n2)cc1OC ZINC000008727228 569472339 /nfs/dbraw/zinc/47/23/39/569472339.db2.gz CWAGVUXEDYKSRC-UHFFFAOYSA-N 0 0 431.517 5.505 50 0 IKAARN C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000008727892 569472365 /nfs/dbraw/zinc/47/23/65/569472365.db2.gz IGHHOCBJPFBAJF-HTAPYJJXSA-N 0 0 432.593 5.555 50 0 IKAARN CC(=O)Nc1ccc(SCC(=O)N2N=C(c3ccc(C)o3)C[C@@H]2c2cccs2)cc1 ZINC000008727862 569472371 /nfs/dbraw/zinc/47/23/71/569472371.db2.gz STWBSMRZWQQMMH-LJQANCHMSA-N 0 0 439.562 5.078 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000008735604 569472662 /nfs/dbraw/zinc/47/26/62/569472662.db2.gz RSMPCHBFEJLVSQ-UHFFFAOYSA-N 0 0 431.586 5.907 50 0 IKAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc4c(c3)c3ccccc3n4C)NC(=O)CCN21 ZINC000008740332 569472790 /nfs/dbraw/zinc/47/27/90/569472790.db2.gz QQAASYYAXUSHPT-FZISZGEFSA-N 0 0 435.571 5.667 50 0 biogenic IKAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1C ZINC000008747643 569473192 /nfs/dbraw/zinc/47/31/92/569473192.db2.gz FUGPPGVMZBIOHW-XMMPIXPASA-N 0 0 442.588 5.076 50 0 IKAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000008751072 569473429 /nfs/dbraw/zinc/47/34/29/569473429.db2.gz KFPVJMDDAJASMV-NSHDSACASA-N 0 0 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ZINC000008753005 569473618 /nfs/dbraw/zinc/47/36/18/569473618.db2.gz MLWWDAIPUXPTDD-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000008753109 569473643 /nfs/dbraw/zinc/47/36/43/569473643.db2.gz MXXHQUUHUXFGDX-FQEVSTJZSA-N 0 0 427.573 5.521 50 0 IKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 ZINC000008753394 569473673 /nfs/dbraw/zinc/47/36/73/569473673.db2.gz OACPRMARQSGCOT-SFHVURJKSA-N 0 0 447.941 6.014 50 0 IKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000008753410 569473679 /nfs/dbraw/zinc/47/36/79/569473679.db2.gz JXAOVSYESIPEFJ-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccccc1F ZINC000008753233 569473682 /nfs/dbraw/zinc/47/36/82/569473682.db2.gz DYWSNECLBJWXTD-KRWDZBQOSA-N 0 0 449.913 5.428 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Br ZINC000008753154 569473689 /nfs/dbraw/zinc/47/36/89/569473689.db2.gz NUYOWXYODLMKGA-SFHVURJKSA-N 0 0 446.348 5.368 50 0 IKAARN CC(C)CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000008753146 569473704 /nfs/dbraw/zinc/47/37/04/569473704.db2.gz JJFKXAQMVONCCV-MRXNPFEDSA-N 0 0 426.358 5.365 50 0 IKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3noc(-c4ccccc4)c3c1)CCCC2 ZINC000008753769 569473740 /nfs/dbraw/zinc/47/37/40/569473740.db2.gz ZBEQGVNJKDJBQW-UHFFFAOYSA-N 0 0 446.528 5.864 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 ZINC000008754679 569473848 /nfs/dbraw/zinc/47/38/48/569473848.db2.gz HICQIQIBOSQYSW-HSZRJFAPSA-N 0 0 439.559 5.248 50 0 IKAARN COc1ccccc1OCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000008754636 569473864 /nfs/dbraw/zinc/47/38/64/569473864.db2.gz YUFDPVUOASAKRI-LJQANCHMSA-N 0 0 435.568 5.019 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C ZINC000008754696 569473877 /nfs/dbraw/zinc/47/38/77/569473877.db2.gz JRIBZXXQPHOPKZ-QHCPKHFHSA-N 0 0 439.559 5.248 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000008755056 569473902 /nfs/dbraw/zinc/47/39/02/569473902.db2.gz SIACSTUGNAQBOX-HXUWFJFHSA-N 0 0 429.951 5.875 50 0 IKAARN Cc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008755189 569473903 /nfs/dbraw/zinc/47/39/03/569473903.db2.gz YXEBCGRNYHYLFP-LJQANCHMSA-N 0 0 445.950 5.598 50 0 IKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000008755323 569473942 /nfs/dbraw/zinc/47/39/42/569473942.db2.gz LWACZBVHEMEYTF-JOCHJYFZSA-N 0 0 439.559 5.588 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O ZINC000008755302 569473946 /nfs/dbraw/zinc/47/39/46/569473946.db2.gz SEDCEESSNFKADP-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1C ZINC000008755475 569473951 /nfs/dbraw/zinc/47/39/51/569473951.db2.gz XOMFJHQCLSXIIN-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O ZINC000008755464 569473956 /nfs/dbraw/zinc/47/39/56/569473956.db2.gz KOWSDHUZBDXRQG-QFIPXVFZSA-N 0 0 439.559 5.561 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O ZINC000008755288 569473965 /nfs/dbraw/zinc/47/39/65/569473965.db2.gz CKMOXXFASMWQLF-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O ZINC000008755207 569473978 /nfs/dbraw/zinc/47/39/78/569473978.db2.gz MNZMDRPTPKHOMM-SFHVURJKSA-N 0 0 447.941 5.960 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000008755664 569474002 /nfs/dbraw/zinc/47/40/02/569474002.db2.gz RJTXHGHTYAGKQZ-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000008755674 569474003 /nfs/dbraw/zinc/47/40/03/569474003.db2.gz PPPJNGNYPKEZLV-KRWDZBQOSA-N 0 0 449.913 5.406 50 0 IKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000008755687 569474006 /nfs/dbraw/zinc/47/40/06/569474006.db2.gz QYCCYYNGYKYMCA-KRWDZBQOSA-N 0 0 449.913 5.406 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756192 569474053 /nfs/dbraw/zinc/47/40/53/569474053.db2.gz FHFIXWCEYIJSDG-HXUWFJFHSA-N 0 0 443.522 5.337 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008756226 569474058 /nfs/dbraw/zinc/47/40/58/569474058.db2.gz KVLXTBPNYZQHSG-FQEVSTJZSA-N 0 0 443.522 5.473 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccc(F)cc1 ZINC000008756159 569474065 /nfs/dbraw/zinc/47/40/65/569474065.db2.gz ZSNQCMKYDNAMPM-QGZVFWFLSA-N 0 0 449.913 5.428 50 0 IKAARN O=C(NCCCc1nc2ccccc2n1CCOc1ccccc1Cl)C1CCCCC1 ZINC000008756406 569474077 /nfs/dbraw/zinc/47/40/77/569474077.db2.gz CORBMQIFCYNSML-UHFFFAOYSA-N 0 0 439.987 5.398 50 0 IKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008756165 569474086 /nfs/dbraw/zinc/47/40/86/569474086.db2.gz NYBKMCFCZHOKEM-LJQANCHMSA-N 0 0 429.495 5.083 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccc(F)cc1 ZINC000008756163 569474088 /nfs/dbraw/zinc/47/40/88/569474088.db2.gz ZSNQCMKYDNAMPM-KRWDZBQOSA-N 0 0 449.913 5.428 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008756197 569474090 /nfs/dbraw/zinc/47/40/90/569474090.db2.gz IFXPGFYICLGZFL-LJQANCHMSA-N 0 0 429.495 5.083 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 ZINC000008756923 569474112 /nfs/dbraw/zinc/47/41/12/569474112.db2.gz ZQZIMSYEYZXVME-UHFFFAOYSA-N 0 0 437.565 5.068 50 0 IKAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000008757190 569474118 /nfs/dbraw/zinc/47/41/18/569474118.db2.gz JLMLOTCDVHBZRW-UHFFFAOYSA-N 0 0 447.494 5.495 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c(OC)c1 ZINC000008756970 569474135 /nfs/dbraw/zinc/47/41/35/569474135.db2.gz QXNKRMRGHZHVGL-UHFFFAOYSA-N 0 0 439.581 5.298 50 0 IKAARN CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000008756821 569474148 /nfs/dbraw/zinc/47/41/48/569474148.db2.gz XAWVMWOGDNFNGI-UHFFFAOYSA-N 0 0 440.568 5.595 50 0 IKAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000008758165 569474153 /nfs/dbraw/zinc/47/41/53/569474153.db2.gz GHGDAUVWGVBIMD-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 ZINC000008758443 569474154 /nfs/dbraw/zinc/47/41/54/569474154.db2.gz LUCCIALKDZIMRP-FQEVSTJZSA-N 0 0 429.951 5.875 50 0 IKAARN CC(C)CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000008758251 569474173 /nfs/dbraw/zinc/47/41/73/569474173.db2.gz JJFKXAQMVONCCV-INIZCTEOSA-N 0 0 426.358 5.365 50 0 IKAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000008758353 569474174 /nfs/dbraw/zinc/47/41/74/569474174.db2.gz QPGOYKAXJNFMLF-FQEVSTJZSA-N 0 0 443.522 5.473 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000008758159 569474178 /nfs/dbraw/zinc/47/41/78/569474178.db2.gz AANZEFDZMZPASQ-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1F ZINC000008758356 569474181 /nfs/dbraw/zinc/47/41/81/569474181.db2.gz ZFIFKZSAQMQWLY-LJQANCHMSA-N 0 0 429.495 5.165 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000008758456 569474202 /nfs/dbraw/zinc/47/42/02/569474202.db2.gz XIOKHEQBDYFWOZ-JOCHJYFZSA-N 0 0 439.559 5.561 50 0 IKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000008758929 569474209 /nfs/dbraw/zinc/47/42/09/569474209.db2.gz TUZMIZJRQJOMIA-LBPRGKRZSA-N 0 0 442.338 5.652 50 0 IKAARN COc1ccc2[nH]c(SCc3csc(N(C(C)=O)c4ccccc4OC)n3)nc2c1 ZINC000008758717 569474215 /nfs/dbraw/zinc/47/42/15/569474215.db2.gz FBHYCKSWIVLCJC-UHFFFAOYSA-N 0 0 440.550 5.014 50 0 IKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000008759609 569474240 /nfs/dbraw/zinc/47/42/40/569474240.db2.gz UYDVFCMOTNILOQ-IBGZPJMESA-N 0 0 429.495 5.083 50 0 IKAARN CC(C)N(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Nc2ccccc2)cc1 ZINC000008761007 569474247 /nfs/dbraw/zinc/47/42/47/569474247.db2.gz GNPNNYIQWUIYGF-UHFFFAOYSA-N 0 0 428.488 5.357 50 0 IKAARN O=c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1Cc1ccc(Cl)c(Cl)c1 ZINC000008762408 569474286 /nfs/dbraw/zinc/47/42/86/569474286.db2.gz AHSBJMSSMGVFOB-UHFFFAOYSA-N 0 0 432.694 5.574 50 0 IKAARN Cc1c(C(=O)c2ncc(C(F)(F)F)cc2Cl)nnn1-c1ccc(Cl)c(Cl)c1 ZINC000008762092 569474288 /nfs/dbraw/zinc/47/42/88/569474288.db2.gz NFYCJFGGVXFPIV-UHFFFAOYSA-N 0 0 435.620 5.181 50 0 IKAARN O=C(c1ccc(Cc2nc(-c3ccc(Cl)cc3)cs2)s1)c1ccc(Cl)cc1 ZINC000008762191 569474314 /nfs/dbraw/zinc/47/43/14/569474314.db2.gz RXGUPOOIKZZKKF-UHFFFAOYSA-N 0 0 430.381 7.000 50 0 IKAARN CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000008762610 569474350 /nfs/dbraw/zinc/47/43/50/569474350.db2.gz LWLKCXIJDBCSTA-ZZIIXHQDSA-N 0 0 429.585 7.378 50 0 biogenic IKAARN FC(F)(F)c1cccc(Cn2c3ccccc3c3c2-c2nc4ccccc4cc2CC3)c1 ZINC000008763256 569474433 /nfs/dbraw/zinc/47/44/33/569474433.db2.gz JNUNGJDBYNLVMF-UHFFFAOYSA-N 0 0 428.457 7.022 50 0 IKAARN Cc1ccccc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@H](C(C)(C)C)C3 ZINC000008765746 569474780 /nfs/dbraw/zinc/47/47/80/569474780.db2.gz DGHYPXGPGFJVLX-SFHVURJKSA-N 0 0 447.600 6.846 50 0 IKAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008766955 569474861 /nfs/dbraw/zinc/47/48/61/569474861.db2.gz AZKONSJJOLCZEB-UHFFFAOYSA-N 0 0 444.141 5.918 50 0 IKAARN CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000008768729 569475018 /nfs/dbraw/zinc/47/50/18/569475018.db2.gz IWKWMBQAEYYUPP-UHFFFAOYSA-N 0 0 436.364 5.974 50 0 IKAARN COc1cccc(NC(=O)Nc2nnc(COc3ccc(C4CCCCC4)cc3)s2)c1 ZINC000008769201 569475020 /nfs/dbraw/zinc/47/50/20/569475020.db2.gz NOMPKIQUCPKOGQ-UHFFFAOYSA-N 0 0 438.553 5.817 50 0 IKAARN Clc1cccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc32)c1 ZINC000008769536 569475043 /nfs/dbraw/zinc/47/50/43/569475043.db2.gz KPSZIKIUWAHEFE-UHFFFAOYSA-N 0 0 442.990 6.926 50 0 IKAARN CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccccc1F ZINC000008770525 569475099 /nfs/dbraw/zinc/47/50/99/569475099.db2.gz NSCNRUHMLAWIIP-BDYUSTAISA-N 0 0 441.587 5.736 50 0 IKAARN O=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000008770895 569475176 /nfs/dbraw/zinc/47/51/76/569475176.db2.gz FEDXYVGWAVOJFC-UHFFFAOYSA-N 0 0 437.908 5.559 50 0 IKAARN COc1ccc(-c2cs/c(=N/c3ccc(C)cc3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000008771452 569475211 /nfs/dbraw/zinc/47/52/11/569475211.db2.gz DCULDLKTBTYBQB-ORIPQNMZSA-N 0 0 439.584 6.490 50 0 IKAARN O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CC[C@H](c3ccccc3)C[C@H]12 ZINC000008773746 569475295 /nfs/dbraw/zinc/47/52/95/569475295.db2.gz RRYJEBVHIBXFON-UWJYYQICSA-N 0 0 427.466 5.323 50 0 IKAARN Cc1sc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)n(C(C)C)c(=O)c2c1C ZINC000008772662 569475314 /nfs/dbraw/zinc/47/53/14/569475314.db2.gz ZOGPATHCHOZNIP-CQSZACIVSA-N 0 0 426.567 5.559 50 0 IKAARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000008774940 569475367 /nfs/dbraw/zinc/47/53/67/569475367.db2.gz ULBXBEUOPNDXDN-OAQYLSRUSA-N 0 0 425.488 5.184 50 0 IKAARN Cc1nc(-c2cccc(NC(=O)CSc3nnc(C)n3-c3ccc(C)cc3)c2)cs1 ZINC000008780282 569475610 /nfs/dbraw/zinc/47/56/10/569475610.db2.gz MLPVWOMTOQKJQD-UHFFFAOYSA-N 0 0 435.578 5.047 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1-c1n[nH]c(COc2cccc(C(F)(F)F)c2)n1 ZINC000008781617 569475698 /nfs/dbraw/zinc/47/56/98/569475698.db2.gz PDFDRIXWZSOKQM-UHFFFAOYSA-N 0 0 434.805 5.686 50 0 IKAARN O=C(/C=C/c1ccc(OCCCF)cc1)n1ccc(-c2ccc(OCCCF)cc2)n1 ZINC000008781793 569475703 /nfs/dbraw/zinc/47/57/03/569475703.db2.gz UQZQASPTDMYICK-LFYBBSHMSA-N 0 0 426.463 5.381 50 0 IKAARN O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000008781943 569475705 /nfs/dbraw/zinc/47/57/05/569475705.db2.gz NUDSYNPDUAFBBR-XNTDXEJSSA-N 0 0 437.421 5.744 50 0 IKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1Cl ZINC000008781959 569475706 /nfs/dbraw/zinc/47/57/06/569475706.db2.gz YOSJRCUXNBJDCK-UHFFFAOYSA-N 0 0 439.129 6.054 50 0 IKAARN O=C(Nc1cc(Cl)cc(Cl)c1)OCc1cccnc1Sc1ccccc1Cl ZINC000008781977 569475742 /nfs/dbraw/zinc/47/57/42/569475742.db2.gz XJAJISRDOHKHON-UHFFFAOYSA-N 0 0 439.751 6.942 50 0 IKAARN CCOC(=O)[C@H]1CSC2(CCC(c3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 ZINC000008782043 569475748 /nfs/dbraw/zinc/47/57/48/569475748.db2.gz ATNOKZOSKNIADC-RUPGZQMFSA-N 0 0 443.996 5.515 50 0 IKAARN COC(=O)c1ccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000008782045 569475760 /nfs/dbraw/zinc/47/57/60/569475760.db2.gz OVEGRMOKSVXZHQ-UHFFFAOYSA-N 0 0 435.829 5.710 50 0 IKAARN O=C(c1ccc(F)cc1)n1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000008782080 569475762 /nfs/dbraw/zinc/47/57/62/569475762.db2.gz UYRVWEFHWMMSIX-UHFFFAOYSA-N 0 0 441.289 6.264 50 0 IKAARN Cc1ccccc1NC(=O)OCc1cccnc1Sc1ccc(Br)cc1 ZINC000008781974 569475792 /nfs/dbraw/zinc/47/57/92/569475792.db2.gz SKWNZRQZSPRPOU-UHFFFAOYSA-N 0 0 429.339 6.052 50 0 IKAARN O=c1ncn(Cc2cccc(C(F)(F)F)c2)cc1-c1ncc(C(F)(F)F)cc1Cl ZINC000008782067 569475795 /nfs/dbraw/zinc/47/57/95/569475795.db2.gz GCBIWERRSGWHBX-UHFFFAOYSA-N 0 0 433.739 5.045 50 0 IKAARN Cc1ccc(-n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2-c2ccccc2)cc1 ZINC000008784512 569475878 /nfs/dbraw/zinc/47/58/78/569475878.db2.gz AABXFDKTICFRPG-QGZVFWFLSA-N 0 0 439.544 5.333 50 0 IKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccc(F)c(Cl)c3)cc2)cc1 ZINC000008783524 569475903 /nfs/dbraw/zinc/47/59/03/569475903.db2.gz YJMUICAGKLVFMA-UHFFFAOYSA-N 0 0 446.931 5.273 50 0 IKAARN CCc1ccc([C@@H]2CN3C(=O)N(c4ccc(C)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789518 569475934 /nfs/dbraw/zinc/47/59/34/569475934.db2.gz XITKOALUWQSSEZ-IADCTJSHSA-N 0 0 449.554 5.868 50 0 biogenic IKAARN COc1ccc(OC)c(-c2c(C)c3cc(OC(=O)c4ccccc4OC)ccc3oc2=O)c1 ZINC000008790199 569476036 /nfs/dbraw/zinc/47/60/36/569476036.db2.gz NXYQQRCULILBKA-UHFFFAOYSA-N 0 0 446.455 5.013 50 0 biogenic IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000008790966 569476175 /nfs/dbraw/zinc/47/61/75/569476175.db2.gz WKRYGEUBDXPPFD-MHECFPHRSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000008790967 569476179 /nfs/dbraw/zinc/47/61/79/569476179.db2.gz WKRYGEUBDXPPFD-HOYKHHGWSA-N 0 0 444.918 5.529 50 0 biogenic IKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NC[C@H]4CCCO4)c(C)c3cc2c1-c1ccccc1 ZINC000008791720 569476246 /nfs/dbraw/zinc/47/62/46/569476246.db2.gz QWJUOUBWSUOISF-LJQANCHMSA-N 0 0 445.515 5.051 50 0 biogenic IKAARN Cc1cc2oc(=O)c(CC(=O)NCc3cccnc3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008791597 569476290 /nfs/dbraw/zinc/47/62/90/569476290.db2.gz UOSCZFIREBNWML-UHFFFAOYSA-N 0 0 438.483 5.077 50 0 biogenic IKAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)Nc3ccccc3F)ccc2c1=O ZINC000008799631 569476433 /nfs/dbraw/zinc/47/64/33/569476433.db2.gz JDWCNVVUMJQAIG-UHFFFAOYSA-N 0 0 449.434 5.141 50 0 IKAARN CCOc1ccccc1-n1c(SCC(=O)c2cc(C)ccc2C)nnc1-c1cccnc1 ZINC000008808778 569476544 /nfs/dbraw/zinc/47/65/44/569476544.db2.gz PCVOTEGUSCSXFR-UHFFFAOYSA-N 0 0 444.560 5.320 50 0 IKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000008811378 569476573 /nfs/dbraw/zinc/47/65/73/569476573.db2.gz QHYXKGQSEWGZKF-STXHMFSFSA-N 0 0 431.001 6.004 50 0 IKAARN CCOc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000008812894 569476580 /nfs/dbraw/zinc/47/65/80/569476580.db2.gz QCBXPFHQRAXEPM-IUKKYPGJSA-N 0 0 434.605 6.339 50 0 IKAARN CC(C)c1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000008812890 569476619 /nfs/dbraw/zinc/47/66/19/569476619.db2.gz RVKYIGMDZIMLTB-XLNZFTOWSA-N 0 0 432.633 7.064 50 0 IKAARN CCCCSCCCNC(=O)c1cc(Nc2ccc(OCC)cc2)nc2ccccc21 ZINC000008814235 569476662 /nfs/dbraw/zinc/47/66/62/569476662.db2.gz BQAWPICIEGLVOC-UHFFFAOYSA-N 0 0 437.609 6.030 50 0 IKAARN CCC1=Nc2cc(C(=O)NCCCN(C)c3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813167 569476703 /nfs/dbraw/zinc/47/67/03/569476703.db2.gz PPNWQAQBYKNVOI-UHFFFAOYSA-N 0 0 443.616 6.247 50 0 IKAARN COc1ccc(Nc2cc(C(=O)NCCCSC3CCCCC3)c3ccccc3n2)cc1 ZINC000008814261 569476721 /nfs/dbraw/zinc/47/67/21/569476721.db2.gz UUPWHHDCGGRJAI-UHFFFAOYSA-N 0 0 449.620 6.173 50 0 IKAARN c1ccc(C2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4cccc5ccccc54)=NN23)cc1 ZINC000008816758 569476819 /nfs/dbraw/zinc/47/68/19/569476819.db2.gz VEBWUHUSJBKXKB-NFCLYEEXSA-N 0 0 444.578 7.437 50 0 IKAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)cc1Cl)O2 ZINC000008817255 569476849 /nfs/dbraw/zinc/47/68/49/569476849.db2.gz YUJGBZOSUCRAIS-GGAORHGYSA-N 0 0 425.315 6.244 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000008817072 569476863 /nfs/dbraw/zinc/47/68/63/569476863.db2.gz QHUCHETWCXZLTG-XCZPVHLTSA-N 0 0 442.559 6.507 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000008817377 569476864 /nfs/dbraw/zinc/47/68/64/569476864.db2.gz QLYJDPXFWFSPMG-XNMGPUDCSA-N 0 0 446.978 7.104 50 0 IKAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008825026 569477271 /nfs/dbraw/zinc/47/72/71/569477271.db2.gz HONSOBUAXGIOLS-UHFFFAOYSA-N 0 0 438.789 5.118 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000008825694 569477452 /nfs/dbraw/zinc/47/74/52/569477452.db2.gz NKWBWVSYMOZQIA-FQEVSTJZSA-N 0 0 436.836 5.968 50 0 IKAARN Cc1csc(S[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1 ZINC000008825848 569477464 /nfs/dbraw/zinc/47/74/64/569477464.db2.gz FFKJVIYWCOKZFJ-INIZCTEOSA-N 0 0 442.915 6.596 50 0 IKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008826755 569477584 /nfs/dbraw/zinc/47/75/84/569477584.db2.gz OOVPYQNKCCCRAT-UHFFFAOYSA-N 0 0 446.641 7.447 50 0 IKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Br)c1)N(c1ccccn1)C3=O ZINC000008827479 569477622 /nfs/dbraw/zinc/47/76/22/569477622.db2.gz QKBQJRZVIIVBIH-FQEVSTJZSA-N 0 0 447.288 5.009 50 0 IKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)n1 ZINC000008827447 569477645 /nfs/dbraw/zinc/47/76/45/569477645.db2.gz UKNMIFCGWGLNBT-KRWDZBQOSA-N 0 0 426.856 5.100 50 0 IKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000008827162 569477653 /nfs/dbraw/zinc/47/76/53/569477653.db2.gz JHVFWSMIPZQFFY-UHFFFAOYSA-N 0 0 435.863 5.587 50 0 IKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O ZINC000008828204 569477789 /nfs/dbraw/zinc/47/77/89/569477789.db2.gz RWQWBERRPBQJBD-QFIPXVFZSA-N 0 0 439.559 5.737 50 0 IKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000008828212 569477798 /nfs/dbraw/zinc/47/77/98/569477798.db2.gz VRNNANWOQHQFLM-JOCHJYFZSA-N 0 0 439.559 5.643 50 0 IKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc43)CC2=O)cc1 ZINC000008828184 569477804 /nfs/dbraw/zinc/47/78/04/569477804.db2.gz UIPSSZYRCFHWQF-QFIPXVFZSA-N 0 0 447.538 5.767 50 0 IKAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 ZINC000008828242 569477819 /nfs/dbraw/zinc/47/78/19/569477819.db2.gz SEFDSHOKCIRFME-QFIPXVFZSA-N 0 0 439.559 5.507 50 0 IKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008828299 569477820 /nfs/dbraw/zinc/47/78/20/569477820.db2.gz XBQWMTRCXBEZCQ-OAQYLSRUSA-N 0 0 427.523 5.868 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000008828317 569477829 /nfs/dbraw/zinc/47/78/29/569477829.db2.gz YQGDYRQQMFBRQC-HUUCEWRRSA-N 0 0 448.947 5.449 50 0 IKAARN O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn21)c1ccccc1Br ZINC000008833842 569477872 /nfs/dbraw/zinc/47/78/72/569477872.db2.gz QFRAODLFDHEJDB-UHFFFAOYSA-N 0 0 442.316 6.169 50 0 IKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)c1 ZINC000008836497 569478063 /nfs/dbraw/zinc/47/80/63/569478063.db2.gz FZBZCTAUYCQDFD-UHFFFAOYSA-N 0 0 425.706 6.596 50 0 IKAARN CCCCCCOC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc21 ZINC000008836547 569478107 /nfs/dbraw/zinc/47/81/07/569478107.db2.gz ISTKSXVUAAZWLN-UHFFFAOYSA-N 0 0 436.943 5.855 50 0 IKAARN CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008836946 569478198 /nfs/dbraw/zinc/47/81/98/569478198.db2.gz YPGOBGGEMLQKLB-ZCYQVOJMSA-N 0 0 447.376 6.815 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1OC ZINC000008837879 569478234 /nfs/dbraw/zinc/47/82/34/569478234.db2.gz HHHQUJJJCOQYRW-WNCULLNHSA-N 0 0 442.559 6.244 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000008838297 569478305 /nfs/dbraw/zinc/47/83/05/569478305.db2.gz RZKSATDHOQETOI-FYYLOGMGSA-N 0 0 427.306 6.683 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3ccccc3F)C2)cc1 ZINC000008843081 569478458 /nfs/dbraw/zinc/47/84/58/569478458.db2.gz IDHVBTBLDQOBHL-JOCHJYFZSA-N 0 0 425.301 5.953 50 0 IKAARN COc1cc([C@@H]2OC(c3cccc(Cl)c3)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000008843067 569478469 /nfs/dbraw/zinc/47/84/69/569478469.db2.gz IWLTWUARNDWMFZ-DEOSSOPVSA-N 0 0 436.895 5.167 50 0 IKAARN COc1cc([C@H]2OC(c3cccc(Cl)c3)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000008843068 569478470 /nfs/dbraw/zinc/47/84/70/569478470.db2.gz IWLTWUARNDWMFZ-XMMPIXPASA-N 0 0 436.895 5.167 50 0 IKAARN CC1=Nc2ncnn2[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCc1ccccc1 ZINC000008843541 569478475 /nfs/dbraw/zinc/47/84/75/569478475.db2.gz WCZAHMYBNPCTNP-DEOSSOPVSA-N 0 0 438.487 5.103 50 0 IKAARN COc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3ccccc3F)C2)cc1 ZINC000008843080 569478481 /nfs/dbraw/zinc/47/84/81/569478481.db2.gz IDHVBTBLDQOBHL-QFIPXVFZSA-N 0 0 425.301 5.953 50 0 IKAARN Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)N2 ZINC000008843015 569478502 /nfs/dbraw/zinc/47/85/02/569478502.db2.gz CJRJVPYPQSJNOE-NRFANRHFSA-N 0 0 434.561 5.736 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008844036 569478547 /nfs/dbraw/zinc/47/85/47/569478547.db2.gz JSKWENMMEVBSJP-UHFFFAOYSA-N 0 0 436.298 6.075 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008844041 569478552 /nfs/dbraw/zinc/47/85/52/569478552.db2.gz FQRHQNWWEJYTPY-UHFFFAOYSA-N 0 0 435.405 5.787 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccccc4)cs3)c3ccccn32)cc1 ZINC000008844889 569478676 /nfs/dbraw/zinc/47/86/76/569478676.db2.gz KTNAGLNHMZCYCQ-UHFFFAOYSA-N 0 0 439.540 5.942 50 0 IKAARN CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000008846265 569479028 /nfs/dbraw/zinc/47/90/28/569479028.db2.gz UWSLYXHQJRCDMZ-DEOSSOPVSA-N 0 0 440.499 5.031 50 0 IKAARN COc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCCCO)cc1 ZINC000008846620 569479131 /nfs/dbraw/zinc/47/91/31/569479131.db2.gz MZQGQMLJZTUJNU-UHFFFAOYSA-N 0 0 437.543 5.918 50 0 IKAARN COc1ccc(C2=NN(C(=O)CSc3ccc(F)c(F)c3)[C@H](c3ccco3)C2)cc1 ZINC000008849210 569479177 /nfs/dbraw/zinc/47/91/77/569479177.db2.gz MPXWHJVPSUKGQQ-FQEVSTJZSA-N 0 0 428.460 5.036 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852081 569479455 /nfs/dbraw/zinc/47/94/55/569479455.db2.gz FSRYSUHWJJHUMJ-UHFFFAOYSA-N 0 0 449.960 5.156 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 ZINC000008852885 569479521 /nfs/dbraw/zinc/47/95/21/569479521.db2.gz OWEPPWLGZWJDJS-UHFFFAOYSA-N 0 0 431.970 5.017 50 0 IKAARN O=C(N=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)c1ccccc1 ZINC000008853632 569479535 /nfs/dbraw/zinc/47/95/35/569479535.db2.gz HKFZLZREMKTOHD-UHFFFAOYSA-N 0 0 429.412 7.010 50 0 IKAARN CSc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)c1 ZINC000008853045 569479567 /nfs/dbraw/zinc/47/95/67/569479567.db2.gz AMQCQZBMNUFVAX-UHFFFAOYSA-N 0 0 443.619 5.085 50 0 IKAARN Fc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2Cc2ccccc2)cc1 ZINC000008854060 569479620 /nfs/dbraw/zinc/47/96/20/569479620.db2.gz LWLOUYJUFKICNP-SLMZUGIISA-N 0 0 428.454 6.655 50 0 IKAARN O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008856700 569479805 /nfs/dbraw/zinc/47/98/05/569479805.db2.gz WRJMRPWOMRBFLZ-UHFFFAOYSA-N 0 0 445.784 6.435 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NN=C/C(Br)=C/c2ccccc2)cc1 ZINC000008860970 569479914 /nfs/dbraw/zinc/47/99/14/569479914.db2.gz PJCUCTNFONXPRO-VOLSSRRMSA-N 0 0 425.370 5.626 50 0 IKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000008860234 569479937 /nfs/dbraw/zinc/47/99/37/569479937.db2.gz FAOGZFXHDBBIPN-FQEVSTJZSA-N 0 0 432.995 7.119 50 0 IKAARN Cc1ccc(C)c(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)c1 ZINC000008861309 569479978 /nfs/dbraw/zinc/47/99/78/569479978.db2.gz JCCUNPPEAFEUEK-UHFFFAOYSA-N 0 0 443.930 6.520 50 0 IKAARN Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)cc1C ZINC000008861458 569480002 /nfs/dbraw/zinc/48/00/02/569480002.db2.gz LPRCJGAYMUSPTF-UHFFFAOYSA-N 0 0 445.972 5.140 50 0 IKAARN C[C@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccc(Cl)cc5)o4)o3)cc2C1 ZINC000008861842 569480028 /nfs/dbraw/zinc/48/00/28/569480028.db2.gz OBFCQYNCAVFRJK-NSHDSACASA-N 0 0 444.969 5.919 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000008861751 569480030 /nfs/dbraw/zinc/48/00/30/569480030.db2.gz FKVRADKHHIQBAT-CSKARUKUSA-N 0 0 445.733 6.551 50 0 IKAARN COc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1OC ZINC000008861817 569480060 /nfs/dbraw/zinc/48/00/60/569480060.db2.gz UTTXRYBVTSHBBZ-UHFFFAOYSA-N 0 0 430.508 5.257 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1Br ZINC000008862147 569480085 /nfs/dbraw/zinc/48/00/85/569480085.db2.gz PSBWCNWJINWDJI-UHFFFAOYSA-N 0 0 449.399 5.143 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000008862142 569480118 /nfs/dbraw/zinc/48/01/18/569480118.db2.gz JJYDQTFISJZUHI-LLVKDONJSA-N 0 0 449.399 5.223 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000008862412 569480136 /nfs/dbraw/zinc/48/01/36/569480136.db2.gz GXNPBRVXKDKRNR-DLBZAZTESA-N 0 0 438.572 5.037 50 0 IKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000008862534 569480190 /nfs/dbraw/zinc/48/01/90/569480190.db2.gz ZTYXNFQWUPKZHG-UHFFFAOYSA-N 0 0 427.529 5.338 50 0 IKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000008868769 569480355 /nfs/dbraw/zinc/48/03/55/569480355.db2.gz GSYUQMKGEBRQCT-XMMPIXPASA-N 0 0 449.547 5.332 50 0 IKAARN O=C(COc1ccc(Br)cc1)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000008868689 569480381 /nfs/dbraw/zinc/48/03/81/569480381.db2.gz YXMARPIDBIDKIN-UHFFFAOYSA-N 0 0 434.717 5.303 50 0 IKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000008868409 569480387 /nfs/dbraw/zinc/48/03/87/569480387.db2.gz FCNNFBKTMDRNHC-GOSISDBHSA-N 0 0 432.347 6.178 50 0 IKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008869380 569480425 /nfs/dbraw/zinc/48/04/25/569480425.db2.gz HJOGPEXYPVBIEC-QHCPKHFHSA-N 0 0 435.520 5.182 50 0 IKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1coc2c1ccc(C)c2C ZINC000008869273 569480450 /nfs/dbraw/zinc/48/04/50/569480450.db2.gz MRDNTEDRZVFBFV-UHFFFAOYSA-N 0 0 447.556 6.444 50 0 IKAARN CCCCC1CCC(C(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000008869743 569480467 /nfs/dbraw/zinc/48/04/67/569480467.db2.gz WEIOYTUCELBDMY-LLAFXHEGSA-N 0 0 441.637 5.352 50 0 IKAARN CCCc1oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)OCC ZINC000008870339 569480514 /nfs/dbraw/zinc/48/05/14/569480514.db2.gz RCVJTWWMDQSEHQ-UHFFFAOYSA-N 0 0 435.929 5.325 50 0 IKAARN CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000008870361 569480541 /nfs/dbraw/zinc/48/05/41/569480541.db2.gz WNIVMEVZQFZLOM-UHFFFAOYSA-N 0 0 429.538 5.506 50 0 IKAARN CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000008870327 569480547 /nfs/dbraw/zinc/48/05/47/569480547.db2.gz ZYMLBGSCIQCXNB-UHFFFAOYSA-N 0 0 443.565 5.733 50 0 IKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 ZINC000008871406 569480749 /nfs/dbraw/zinc/48/07/49/569480749.db2.gz ZQZHLJCNQCPVQT-FQEVSTJZSA-N 0 0 441.531 5.035 50 0 IKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 ZINC000008871405 569480766 /nfs/dbraw/zinc/48/07/66/569480766.db2.gz ZQZHLJCNQCPVQT-HXUWFJFHSA-N 0 0 441.531 5.035 50 0 IKAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008871459 569480796 /nfs/dbraw/zinc/48/07/96/569480796.db2.gz VOSBMBFWYXSORQ-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 ZINC000008871450 569480797 /nfs/dbraw/zinc/48/07/97/569480797.db2.gz BFUQRXUTTPLAQA-KRWDZBQOSA-N 0 0 433.914 5.706 50 0 IKAARN CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 ZINC000008871519 569480803 /nfs/dbraw/zinc/48/08/03/569480803.db2.gz NZBWNGRMWQWNDM-LJQANCHMSA-N 0 0 445.950 5.657 50 0 IKAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)cc1 ZINC000008871515 569480809 /nfs/dbraw/zinc/48/08/09/569480809.db2.gz MQKONFLDFDAWHL-JOCHJYFZSA-N 0 0 439.559 5.507 50 0 IKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3C)CC2=O)c1 ZINC000008871446 569480812 /nfs/dbraw/zinc/48/08/12/569480812.db2.gz JLCWSGYPDAFJCA-QFIPXVFZSA-N 0 0 439.559 5.643 50 0 IKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c(OC)c1 ZINC000008872050 569480870 /nfs/dbraw/zinc/48/08/70/569480870.db2.gz BWJCAPHODJLUBG-UHFFFAOYSA-N 0 0 444.512 5.311 50 0 IKAARN COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008876486 569481146 /nfs/dbraw/zinc/48/11/46/569481146.db2.gz KYUJFFPYYKFASJ-HHHXNRCGSA-N 0 0 442.559 5.557 50 0 biogenic IKAARN COCCN1C(=O)CS[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000008879378 569481370 /nfs/dbraw/zinc/48/13/70/569481370.db2.gz 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CC(C)Sc1ccccc1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000039980589 569482281 /nfs/dbraw/zinc/48/22/81/569482281.db2.gz GLPODVKFDGYURW-KRWDZBQOSA-N 0 0 425.623 5.316 50 0 IKAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccc(OC)cc3OC)cs2)c(OC)c1 ZINC000039987615 569482312 /nfs/dbraw/zinc/48/23/12/569482312.db2.gz SNSKHNDADLNAIJ-NRFANRHFSA-N 0 0 440.565 5.182 50 0 IKAARN CC(=O)Nc1ccc(SCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000039996905 569482434 /nfs/dbraw/zinc/48/24/34/569482434.db2.gz YETFUTDNQUWXDJ-OAQYLSRUSA-N 0 0 428.604 5.034 50 0 IKAARN COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 ZINC000040002634 569482478 /nfs/dbraw/zinc/48/24/78/569482478.db2.gz WHJOQNQPQJZMCW-HNNXBMFYSA-N 0 0 444.453 5.829 50 0 IKAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000040012220 569482497 /nfs/dbraw/zinc/48/24/97/569482497.db2.gz JQZQLMVJWSKMRS-UHFFFAOYSA-N 0 0 443.551 5.240 50 0 IKAARN CSc1nnc(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)n1C1CCCC1 ZINC000040007555 569482517 /nfs/dbraw/zinc/48/25/17/569482517.db2.gz ZUVMHNOYUDMXTC-UHFFFAOYSA-N 0 0 428.389 5.176 50 0 IKAARN CC(C)(C)C(=O)N1CCC(C(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000040017249 569482643 /nfs/dbraw/zinc/48/26/43/569482643.db2.gz ALVKVMPXZNBQEE-HSZRJFAPSA-N 0 0 438.637 5.117 50 0 IKAARN CCOC(=O)c1sc2nc(C)nc(Sc3nnc(-c4cc(C)cc(C)c4)o3)c2c1C ZINC000040023362 569482674 /nfs/dbraw/zinc/48/26/74/569482674.db2.gz VFWDTTBGEWEHTM-UHFFFAOYSA-N 0 0 440.550 5.303 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000040023336 569482690 /nfs/dbraw/zinc/48/26/90/569482690.db2.gz IYXPUNHTCYDYAK-XMMPIXPASA-N 0 0 429.545 5.277 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(NCCc2cccs2)s1 ZINC000040018238 569482701 /nfs/dbraw/zinc/48/27/01/569482701.db2.gz ODHGDUITCQUVKA-LBPRGKRZSA-N 0 0 439.031 5.335 50 0 IKAARN Cc1occc1-c1nnc(Sc2nc(C)nc3scc(-c4cccs4)c32)n1C ZINC000040020240 569482703 /nfs/dbraw/zinc/48/27/03/569482703.db2.gz MORXAQRJMGPPLT-UHFFFAOYSA-N 0 0 425.564 5.576 50 0 IKAARN CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c32)nnc1-c1ccncc1 ZINC000040020226 569482710 /nfs/dbraw/zinc/48/27/10/569482710.db2.gz PZGCBKGIYCVLSB-UHFFFAOYSA-N 0 0 436.591 5.553 50 0 IKAARN O=C(NCc1ccccc1Cn1ccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040023569 569482718 /nfs/dbraw/zinc/48/27/18/569482718.db2.gz GELMHBCDSHOUGC-UHFFFAOYSA-N 0 0 425.410 5.140 50 0 IKAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000008881552 569482865 /nfs/dbraw/zinc/48/28/65/569482865.db2.gz HRMOCMHWKNAOIX-UHFFFAOYSA-N 0 0 436.515 5.028 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1n[nH]c(-c2cccs2)n1)c1ccccc1 ZINC000008882912 569483001 /nfs/dbraw/zinc/48/30/01/569483001.db2.gz OZKRPQIREUZRDR-LJQANCHMSA-N 0 0 436.562 5.322 50 0 IKAARN CC[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 ZINC000040032366 569483109 /nfs/dbraw/zinc/48/31/09/569483109.db2.gz KQRYBZFMNCINEM-GOSISDBHSA-N 0 0 431.305 5.443 50 0 IKAARN CCc1ccc(N(C(=O)C[C@H](NC(C)=O)c2cccs2)c2nc3ccccc3s2)cc1 ZINC000040032303 569483113 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IGQQOBMBDOMQHO-AOMKIAJQSA-N 0 0 449.624 5.820 50 0 IKAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000040034360 569483218 /nfs/dbraw/zinc/48/32/18/569483218.db2.gz GFMSSBZZKLJRSJ-GFCCVEGCSA-N 0 0 441.375 5.620 50 0 IKAARN C[C@@H](Sc1n[nH]c(Cc2cccs2)n1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000040039553 569483329 /nfs/dbraw/zinc/48/33/29/569483329.db2.gz UZZLKKLVQZOZQH-SNVBAGLBSA-N 0 0 437.472 5.379 50 0 IKAARN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000008892241 569483440 /nfs/dbraw/zinc/48/34/40/569483440.db2.gz IVJJGZOLFKHUCU-UHFFFAOYSA-N 0 0 436.555 5.978 50 0 IKAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000040040552 569483445 /nfs/dbraw/zinc/48/34/45/569483445.db2.gz FENDKOPDZRSHDK-UHFFFAOYSA-N 0 0 429.545 5.228 50 0 IKAARN CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc21 ZINC000008894213 569483611 /nfs/dbraw/zinc/48/36/11/569483611.db2.gz GWECTBNDLUJBAH-UHFFFAOYSA-N 0 0 434.590 5.640 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2ccccc2c1 ZINC000008895645 569483777 /nfs/dbraw/zinc/48/37/77/569483777.db2.gz NXJNLXALUWZMSE-MRXNPFEDSA-N 0 0 446.551 5.542 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(COc3cccc(C)c3)o2)c(C)n1Cc1ccccc1 ZINC000008895797 569483826 /nfs/dbraw/zinc/48/38/26/569483826.db2.gz OVUZRYVVPRVXRO-UHFFFAOYSA-N 0 0 447.560 5.399 50 0 IKAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000008896523 569483926 /nfs/dbraw/zinc/48/39/26/569483926.db2.gz SWLNMWYSVQACNW-UHFFFAOYSA-N 0 0 447.516 5.210 50 0 IKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1SC[C@H]1CCCO1 ZINC000008897974 569483968 /nfs/dbraw/zinc/48/39/68/569483968.db2.gz CNXZKENEHZZRKV-HXUWFJFHSA-N 0 0 448.592 5.195 50 0 IKAARN COc1ccc(-c2csc(NC(=O)COc3cc(Cl)ccc3Cl)n2)c(OC)c1 ZINC000008898807 569484053 /nfs/dbraw/zinc/48/40/53/569484053.db2.gz ZVKPPWCKVIWZHX-UHFFFAOYSA-N 0 0 439.320 5.152 50 0 IKAARN Cc1csc(N(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c2ccccc2)n1 ZINC000008899898 569484076 /nfs/dbraw/zinc/48/40/76/569484076.db2.gz PIBVQCRXBCFFTL-UHFFFAOYSA-N 0 0 428.513 5.426 50 0 IKAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000040050283 569484191 /nfs/dbraw/zinc/48/41/91/569484191.db2.gz GBIXVVHJBPDXOV-UHFFFAOYSA-N 0 0 442.544 5.089 50 0 IKAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1Cl ZINC000040050328 569484193 /nfs/dbraw/zinc/48/41/93/569484193.db2.gz BFHZEIXHJNPKCF-UHFFFAOYSA-N 0 0 436.914 5.199 50 0 IKAARN COc1cccc(-c2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)c1 ZINC000008900929 569484259 /nfs/dbraw/zinc/48/42/59/569484259.db2.gz SNKQCTGCYYNXKH-UHFFFAOYSA-N 0 0 426.592 5.766 50 0 IKAARN O=C(CCc1nnc(-c2ccsc2)o1)Oc1ccc2cc(Br)ccc2c1 ZINC000040050978 569484297 /nfs/dbraw/zinc/48/42/97/569484297.db2.gz CMWCWGGXPOSQAX-UHFFFAOYSA-N 0 0 429.295 5.252 50 0 IKAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000040058905 569484681 /nfs/dbraw/zinc/48/46/81/569484681.db2.gz PNRFJRNWSWEJRP-UHFFFAOYSA-N 0 0 427.501 5.477 50 0 IKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000008909581 569484721 /nfs/dbraw/zinc/48/47/21/569484721.db2.gz CJHOWLRHSBENKP-UHFFFAOYSA-N 0 0 445.975 6.121 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000008911831 569484904 /nfs/dbraw/zinc/48/49/04/569484904.db2.gz DPCIMASQHNEVPA-UHFFFAOYSA-N 0 0 434.540 5.051 50 0 IKAARN CCCOc1ccc(CNC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)cc1 ZINC000008911723 569484907 /nfs/dbraw/zinc/48/49/07/569484907.db2.gz BWADNILYXALDGT-UHFFFAOYSA-N 0 0 437.609 5.235 50 0 IKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCCc3ccccc3Cl)cc12 ZINC000008912277 569484964 /nfs/dbraw/zinc/48/49/64/569484964.db2.gz QTDQPVDQFFEDSU-UHFFFAOYSA-N 0 0 430.979 6.241 50 0 IKAARN CC(=O)Nc1cccc(Nc2nnc(SCc3nc(-c4cccs4)oc3C)s2)c1 ZINC000040067348 569484977 /nfs/dbraw/zinc/48/49/77/569484977.db2.gz XBBLCXCOCASHNT-UHFFFAOYSA-N 0 0 443.579 5.557 50 0 IKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000040068311 569485117 /nfs/dbraw/zinc/48/51/17/569485117.db2.gz QQPQGJFBYZLOIF-RUZDIDTESA-N 0 0 430.479 5.307 50 0 IKAARN COc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1OC ZINC000008914854 569485418 /nfs/dbraw/zinc/48/54/18/569485418.db2.gz XRUAJSPEDBAHRI-UHFFFAOYSA-N 0 0 425.297 5.173 50 0 IKAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913039 569485158 /nfs/dbraw/zinc/48/51/58/569485158.db2.gz WVLHKOFEWAJYOO-NRFANRHFSA-N 0 0 434.540 5.761 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(OC)c1)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000008913035 569485166 /nfs/dbraw/zinc/48/51/66/569485166.db2.gz TXSDVSKMROWCQZ-QFIPXVFZSA-N 0 0 446.576 5.630 50 0 IKAARN Cc1c(Cl)cccc1NC(=O)Cn1c2cnccc2nc1SCc1ccccc1F ZINC000008913173 569485209 /nfs/dbraw/zinc/48/52/09/569485209.db2.gz DWUGACYDAXFEPK-UHFFFAOYSA-N 0 0 440.931 5.463 50 0 IKAARN Cc1oc(-c2ccccc2)nc1Cn1c2cnccc2nc1SCc1ccccc1F ZINC000008913170 569485231 /nfs/dbraw/zinc/48/52/31/569485231.db2.gz LFXIEUFQLHGHSI-UHFFFAOYSA-N 0 0 430.508 5.874 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)Cn1c2cnccc2nc1SCc1c(F)cccc1Cl ZINC000008913244 569485254 /nfs/dbraw/zinc/48/52/54/569485254.db2.gz JECHMJZGXAHICY-OAHLLOKOSA-N 0 0 446.979 5.307 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(OC)c1)n1c2cnccc2nc1SCc1ccccc1C ZINC000008913210 569485255 /nfs/dbraw/zinc/48/52/55/569485255.db2.gz ZBLHELXEJUNDOK-QFIPXVFZSA-N 0 0 446.576 5.630 50 0 IKAARN CC[C@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1c(F)cccc1Cl ZINC000008913265 569485270 /nfs/dbraw/zinc/48/52/70/569485270.db2.gz TWVCXQMGTBJZNV-LJQANCHMSA-N 0 0 446.979 5.526 50 0 IKAARN O=C(Cn1c2cnccc2nc1SCc1c(F)cccc1Cl)Nc1cccc(F)c1 ZINC000008913255 569485277 /nfs/dbraw/zinc/48/52/77/569485277.db2.gz RZCFARDRRJUNOC-UHFFFAOYSA-N 0 0 444.894 5.294 50 0 IKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(Cl)c2)c(C)c1 ZINC000008913224 569485284 /nfs/dbraw/zinc/48/52/84/569485284.db2.gz FKGLNIRFBHUMEG-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN CC[C@H](C(=O)Nc1cccc(OC)c1)n1c2cnccc2nc1SCc1ccccc1C ZINC000008913211 569485298 /nfs/dbraw/zinc/48/52/98/569485298.db2.gz ZBLHELXEJUNDOK-JOCHJYFZSA-N 0 0 446.576 5.630 50 0 IKAARN Cc1cc(C)cc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(Cl)c2)c1 ZINC000008913222 569485302 /nfs/dbraw/zinc/48/53/02/569485302.db2.gz OEKQRJAQFUHCJW-UHFFFAOYSA-N 0 0 436.968 5.633 50 0 IKAARN O=C(NC1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008913485 569485310 /nfs/dbraw/zinc/48/53/10/569485310.db2.gz HHPWZXYOBJZQOJ-UHFFFAOYSA-N 0 0 442.588 5.444 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 ZINC000008913345 569485322 /nfs/dbraw/zinc/48/53/22/569485322.db2.gz OFCORGBEYCOWOY-KRWDZBQOSA-N 0 0 448.567 5.439 50 0 IKAARN CC(C)CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008913494 569485352 /nfs/dbraw/zinc/48/53/52/569485352.db2.gz DOIJQNJCRYNDPX-UHFFFAOYSA-N 0 0 444.604 5.548 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008913591 569485387 /nfs/dbraw/zinc/48/53/87/569485387.db2.gz OFCCCENGQVWFRK-QGZVFWFLSA-N 0 0 448.567 5.439 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2C)cc1 ZINC000008913655 569485392 /nfs/dbraw/zinc/48/53/92/569485392.db2.gz GEDISXAOEOLFGO-IBGZPJMESA-N 0 0 444.604 5.609 50 0 IKAARN CCc1ccc(CNC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000008913725 569485393 /nfs/dbraw/zinc/48/53/93/569485393.db2.gz SCTRXIPINWNFAP-UHFFFAOYSA-N 0 0 430.979 6.154 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c3cnccc3nc2SCc2cccc(C)c2)cc1 ZINC000008913555 569485396 /nfs/dbraw/zinc/48/53/96/569485396.db2.gz SBLITSOKKNQQRW-IBGZPJMESA-N 0 0 444.604 5.609 50 0 IKAARN CCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000008913629 569485399 /nfs/dbraw/zinc/48/53/99/569485399.db2.gz MYJNDRLLQXZMLM-UHFFFAOYSA-N 0 0 434.540 5.051 50 0 IKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000008914565 569485432 /nfs/dbraw/zinc/48/54/32/569485432.db2.gz FDYFBSVZQGFWNN-ZZIIXHQDSA-N 0 0 429.516 6.365 50 0 IKAARN COC(=O)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000008914267 569485451 /nfs/dbraw/zinc/48/54/51/569485451.db2.gz CGHBFWDEHJRTAV-RXVVDRJESA-N 0 0 443.286 5.615 50 0 IKAARN COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000008914598 569485466 /nfs/dbraw/zinc/48/54/66/569485466.db2.gz OIBTYFAIDUIJEK-UHFFFAOYSA-N 0 0 435.530 5.385 50 0 IKAARN COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccc(C)cc1 ZINC000008915174 569485535 /nfs/dbraw/zinc/48/55/35/569485535.db2.gz MMYPEZUHYUEHAD-UHFFFAOYSA-N 0 0 428.469 5.671 50 0 IKAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000008915470 569485575 /nfs/dbraw/zinc/48/55/75/569485575.db2.gz OYXBTXKXOMIFEV-GOSISDBHSA-N 0 0 428.743 5.233 50 0 IKAARN O=C(Nc1nc2ccc(F)cc2s1)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000008915618 569485581 /nfs/dbraw/zinc/48/55/81/569485581.db2.gz VZHCGPNLTKLUBQ-UHFFFAOYSA-N 0 0 448.907 5.563 50 0 IKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000008915707 569485584 /nfs/dbraw/zinc/48/55/84/569485584.db2.gz AWRMZJNVSNPSBT-GOSISDBHSA-N 0 0 431.923 5.267 50 0 IKAARN COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008915802 569485635 /nfs/dbraw/zinc/48/56/35/569485635.db2.gz HWYDTOBBZGHFRJ-KRWDZBQOSA-N 0 0 449.913 5.406 50 0 IKAARN O=C(Nc1ccccc1C(F)(F)F)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000008916174 569485742 /nfs/dbraw/zinc/48/57/42/569485742.db2.gz DDIDUPCXPDRVHX-UHFFFAOYSA-N 0 0 441.837 5.833 50 0 IKAARN CCOC(=O)c1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 ZINC000008916685 569485817 /nfs/dbraw/zinc/48/58/17/569485817.db2.gz ACIRSAWPUREQOJ-UHFFFAOYSA-N 0 0 441.940 5.160 50 0 IKAARN CCOP(=O)(OCC)c1nc(Cc2cccc3ccccc32)oc1NCc1ccco1 ZINC000008917190 569485991 /nfs/dbraw/zinc/48/59/91/569485991.db2.gz OEXLBEZHJNBWAR-UHFFFAOYSA-N 0 0 440.436 5.515 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccc(Br)o1 ZINC000008917405 569486016 /nfs/dbraw/zinc/48/60/16/569486016.db2.gz KILOVEALJNXPQR-UHFFFAOYSA-N 0 0 428.213 5.411 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2Br)N3)C1 ZINC000008919473 569486374 /nfs/dbraw/zinc/48/63/74/569486374.db2.gz FKNKZPSWMNBJEP-ZMZPIMSZSA-N 0 0 449.414 6.186 50 0 IKAARN Cc1ccc(NC(=O)Cn2cnc3scc(-c4ccc5c(c4)CCCC5)c3c2=O)c(C)c1 ZINC000008919397 569486390 /nfs/dbraw/zinc/48/63/90/569486390.db2.gz UBYBCVRXQCSETE-UHFFFAOYSA-N 0 0 443.572 5.259 50 0 IKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc1OCC ZINC000008919964 569486453 /nfs/dbraw/zinc/48/64/53/569486453.db2.gz BAMKEYFCDFMTHU-KSFYIVLOSA-N 0 0 442.625 6.516 50 0 IKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1OCC ZINC000008919960 569486465 /nfs/dbraw/zinc/48/64/65/569486465.db2.gz BAMKEYFCDFMTHU-OPAMFIHVSA-N 0 0 442.625 6.516 50 0 IKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 ZINC000008920836 569486526 /nfs/dbraw/zinc/48/65/26/569486526.db2.gz ZFTYTBXTSCPOKI-CWTRNNRKSA-N 0 0 434.989 6.086 50 0 IKAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040086081 569486656 /nfs/dbraw/zinc/48/66/56/569486656.db2.gz UNTCFCUJSAMAJD-OXQOHEQNSA-N 0 0 431.552 5.016 50 0 IKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000008920894 569486776 /nfs/dbraw/zinc/48/67/76/569486776.db2.gz MTHVBNUESRSLER-OYHNWAKOSA-N 0 0 438.568 7.117 50 0 IKAARN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 ZINC000008921314 569486819 /nfs/dbraw/zinc/48/68/19/569486819.db2.gz BSAOIUMWCRIMMS-UHFFFAOYSA-N 0 0 443.576 5.035 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2ccccc2c1 ZINC000008921987 569486837 /nfs/dbraw/zinc/48/68/37/569486837.db2.gz JTCQJDQMFBKFGY-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000008921739 569486876 /nfs/dbraw/zinc/48/68/76/569486876.db2.gz VYWBWXWYMBRISX-LJQANCHMSA-N 0 0 441.484 5.091 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2c(c1)CCCC2 ZINC000008921998 569486887 /nfs/dbraw/zinc/48/68/87/569486887.db2.gz QEWBGICYQNFYKF-MHZLTWQESA-N 0 0 445.946 5.226 50 0 IKAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c(C)c1 ZINC000008922619 569486938 /nfs/dbraw/zinc/48/69/38/569486938.db2.gz MEWMELBOMNIPEZ-MHZLTWQESA-N 0 0 447.962 5.581 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 ZINC000008922737 569486940 /nfs/dbraw/zinc/48/69/40/569486940.db2.gz ZSPZTRMVHYXWQZ-MHZLTWQESA-N 0 0 447.962 5.581 50 0 IKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000008922693 569486944 /nfs/dbraw/zinc/48/69/44/569486944.db2.gz JVESINRXVWOZRS-HHHXNRCGSA-N 0 0 447.962 5.581 50 0 IKAARN O=C(CSc1c2ccccc2[nH]c1-c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000008922883 569487011 /nfs/dbraw/zinc/48/70/11/569487011.db2.gz WLNUIEBVLCVOND-UHFFFAOYSA-N 0 0 426.463 6.585 50 0 IKAARN Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 ZINC000008923701 569487035 /nfs/dbraw/zinc/48/70/35/569487035.db2.gz ITMWACWCNQEDJB-QHCPKHFHSA-N 0 0 444.314 5.211 50 0 IKAARN C[C@H](C(=O)c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2Cl)C1=O ZINC000008923577 569487094 /nfs/dbraw/zinc/48/70/94/569487094.db2.gz UXAQLWXPNRLOML-OYLFLEFRSA-N 0 0 440.326 5.247 50 0 IKAARN CC(=O)Nc1ncc(-c2ccc(OC(=O)c3csc(-c4ccsc4)n3)cc2)s1 ZINC000040089743 569487119 /nfs/dbraw/zinc/48/71/19/569487119.db2.gz GRKGFEKOBAQKRT-UHFFFAOYSA-N 0 0 427.532 5.173 50 0 IKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccccc1)c1ccc(Br)o1 ZINC000008923913 569487136 /nfs/dbraw/zinc/48/71/36/569487136.db2.gz POQDGVARNNSWPS-UHFFFAOYSA-N 0 0 441.350 5.713 50 0 IKAARN Clc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008926206 569487261 /nfs/dbraw/zinc/48/72/61/569487261.db2.gz AMGADLQGZRNVQK-INYGDSQJSA-N 0 0 433.382 7.794 50 0 IKAARN Cc1ccc(NC(=O)N(O)[C@@H]2N(c3ccc(C)cc3)C(=O)N(CCC(C)C)C2(C)C)cc1 ZINC000008926371 569487269 /nfs/dbraw/zinc/48/72/69/569487269.db2.gz IESWCZIMZMMQTJ-QFIPXVFZSA-N 0 0 438.572 5.620 50 0 IKAARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c1C ZINC000008926545 569487295 /nfs/dbraw/zinc/48/72/95/569487295.db2.gz XUKCWQNFJNCBEY-UHFFFAOYSA-N 0 0 431.536 6.092 50 0 IKAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)CCCC4)C2=O)c1 ZINC000008927833 569487399 /nfs/dbraw/zinc/48/73/99/569487399.db2.gz KEQGRVXOSQAORA-GDLZYMKVSA-N 0 0 439.555 5.190 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c(C)n(Cc2c(C)cc(C)cc2C)c(C)c1C(=O)[O-] ZINC000008932810 569487637 /nfs/dbraw/zinc/48/76/37/569487637.db2.gz OODDOPSJGLJBST-UHFFFAOYSA-N 0 0 434.580 5.465 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c(C)n(Cc2ccc(F)cc2Cl)c(C)c1C(=O)[O-] ZINC000008932778 569487651 /nfs/dbraw/zinc/48/76/51/569487651.db2.gz NMJOJMFVPHDUSN-UHFFFAOYSA-N 0 0 444.934 5.332 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000008932783 569487658 /nfs/dbraw/zinc/48/76/58/569487658.db2.gz QJVJUFXADADJAM-UHFFFAOYSA-N 0 0 428.935 5.496 50 0 IKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000008932530 569487691 /nfs/dbraw/zinc/48/76/91/569487691.db2.gz RFFXXUASPPIQTM-OAHLLOKOSA-N 0 0 428.935 5.537 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])cc1 ZINC000008932600 569487698 /nfs/dbraw/zinc/48/76/98/569487698.db2.gz KRCVQBXFDPIZNT-UHFFFAOYSA-N 0 0 436.621 5.522 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3c(F)cccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000008932790 569487699 /nfs/dbraw/zinc/48/76/99/569487699.db2.gz ANCKZJYMQNOYIJ-UHFFFAOYSA-N 0 0 444.934 5.332 50 0 IKAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000008932726 569487704 /nfs/dbraw/zinc/48/77/04/569487704.db2.gz UBYYKVMIPFIQLP-UHFFFAOYSA-N 0 0 441.369 5.212 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932851 569487760 /nfs/dbraw/zinc/48/77/60/569487760.db2.gz ZNSRAFGASITCSS-UHFFFAOYSA-N 0 0 428.985 5.517 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932857 569487763 /nfs/dbraw/zinc/48/77/63/569487763.db2.gz CFWINIIDRVRKQZ-UHFFFAOYSA-N 0 0 426.944 5.193 50 0 IKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000008933603 569487804 /nfs/dbraw/zinc/48/78/04/569487804.db2.gz NTFLQEHYTPGMGK-UHFFFAOYSA-N 0 0 446.510 5.455 50 0 IKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000008933602 569487809 /nfs/dbraw/zinc/48/78/09/569487809.db2.gz GPLIJIWXFJIAFZ-UHFFFAOYSA-N 0 0 433.515 5.210 50 0 IKAARN CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000008934188 569487899 /nfs/dbraw/zinc/48/78/99/569487899.db2.gz LUJLJNXUWBUNPH-QFIPXVFZSA-N 0 0 448.498 5.296 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1N1CCCC1 ZINC000040103757 569488105 /nfs/dbraw/zinc/48/81/05/569488105.db2.gz POIQPMHORCZBOD-UHFFFAOYSA-N 0 0 439.947 5.434 50 0 IKAARN CC(=O)N(c1nc(CSc2nnc(-c3ccc(C)cc3)n2C)cs1)c1ccccc1 ZINC000008939113 569488275 /nfs/dbraw/zinc/48/82/75/569488275.db2.gz DSRANOAAGSFORG-UHFFFAOYSA-N 0 0 435.578 5.224 50 0 IKAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3cccs3)o2)cc1 ZINC000008941022 569488637 /nfs/dbraw/zinc/48/86/37/569488637.db2.gz GLHIGNBUWVKYKQ-UHFFFAOYSA-N 0 0 443.575 5.194 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nnc(-c4ccccc4)o3)nc(=O)c12 ZINC000008943391 569488819 /nfs/dbraw/zinc/48/88/19/569488819.db2.gz BDFMNWAQKDLUGC-LBPRGKRZSA-N 0 0 426.567 5.224 50 0 IKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000040112756 569488933 /nfs/dbraw/zinc/48/89/33/569488933.db2.gz XMARVXHLDCSVNM-HNNXBMFYSA-N 0 0 425.554 5.257 50 0 IKAARN COc1ccc(CNc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)cc1O ZINC000040115523 569489266 /nfs/dbraw/zinc/48/92/66/569489266.db2.gz VFJKWRSXDWGRKA-UHFFFAOYSA-N 0 0 440.528 5.747 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1nnnn1-c1ccccc1 ZINC000040122922 569489677 /nfs/dbraw/zinc/48/96/77/569489677.db2.gz MVUUHRKVVNJNLD-OAHLLOKOSA-N 0 0 428.496 5.265 50 0 IKAARN Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(SC3=NCCS3)n2)cc1C ZINC000008951499 569489868 /nfs/dbraw/zinc/48/98/68/569489868.db2.gz LFHVIKTXGOMZBJ-UHFFFAOYSA-N 0 0 436.610 5.787 50 0 IKAARN C[C@H]1CCc2c(sc3nc(-c4ccc(OCc5ccc(Cl)cc5)cc4)[nH]c(=O)c23)C1 ZINC000008952037 569489935 /nfs/dbraw/zinc/48/99/35/569489935.db2.gz KNGRNGMYTNAHKD-AWEZNQCLSA-N 0 0 436.964 6.009 50 0 IKAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3Cl)cc(O)c2C(=O)O1 ZINC000008951987 569489962 /nfs/dbraw/zinc/48/99/62/569489962.db2.gz JZZDETIWJLYTEL-KQEHZQRSSA-N 0 0 442.939 6.106 50 0 IKAARN C[C@@H]1CC[C@@H]2[C@]3(C)CO[C@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000008952590 569490013 /nfs/dbraw/zinc/49/00/13/569490013.db2.gz CVOGMLCVYFNXLE-JHYCTVQASA-N 0 0 440.580 5.188 50 0 biogenic IKAARN CCc1c(C)c2cc3c(-c4ccc(I)cc4)coc3c(C)c2oc1=O ZINC000008955705 569490159 /nfs/dbraw/zinc/49/01/59/569490159.db2.gz RKLTZZUYXOZODH-UHFFFAOYSA-N 0 0 444.268 5.990 50 0 IKAARN CCC1CCC(N(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)C2CC2)CC1 ZINC000040132934 569490379 /nfs/dbraw/zinc/49/03/79/569490379.db2.gz DSNNFAKXYQWOBX-UHFFFAOYSA-N 0 0 425.594 5.234 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2cccc(OCC)c2o1 ZINC000008960796 569490404 /nfs/dbraw/zinc/49/04/04/569490404.db2.gz HFXUTLQTJXOQEB-UHFFFAOYSA-N 0 0 435.501 5.989 50 0 IKAARN CC(=O)c1sc(NC(=O)COc2ccc(Cl)c3cccnc23)nc1-c1ccccc1 ZINC000040139073 569490804 /nfs/dbraw/zinc/49/08/04/569490804.db2.gz KNOYTIWECWTIOE-UHFFFAOYSA-N 0 0 437.908 5.232 50 0 IKAARN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000040139128 569490811 /nfs/dbraw/zinc/49/08/11/569490811.db2.gz LUVCOTKBWWQARX-XMMPIXPASA-N 0 0 432.564 5.076 50 0 IKAARN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000040139127 569490813 /nfs/dbraw/zinc/49/08/13/569490813.db2.gz LUVCOTKBWWQARX-DEOSSOPVSA-N 0 0 432.564 5.076 50 0 IKAARN CC[C@H](C(=O)Nc1cc(C)ccc1C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965272 569491383 /nfs/dbraw/zinc/49/13/83/569491383.db2.gz VQQSYHPWWBUWRJ-HSZRJFAPSA-N 0 0 428.536 5.011 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965281 569491397 /nfs/dbraw/zinc/49/13/97/569491397.db2.gz XUBKKXHRGPSTPP-QHCPKHFHSA-N 0 0 428.536 5.011 50 0 IKAARN Fc1ccc(OCc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cs2)cc1 ZINC000008965621 569491481 /nfs/dbraw/zinc/49/14/81/569491481.db2.gz GMKUKJHTLLKQHV-UHFFFAOYSA-N 0 0 438.553 5.612 50 0 IKAARN Cc1cc(C(=O)CSc2nncn2C(C)C)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000008965667 569491499 /nfs/dbraw/zinc/49/14/99/569491499.db2.gz KKWNFIDTQHMFTR-UHFFFAOYSA-N 0 0 444.604 5.890 50 0 IKAARN CCn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008965766 569491527 /nfs/dbraw/zinc/49/15/27/569491527.db2.gz BYIHVCMXYAWBSV-SFHVURJKSA-N 0 0 436.562 5.181 50 0 IKAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 ZINC000008965753 569491528 /nfs/dbraw/zinc/49/15/28/569491528.db2.gz IJXVPBWCCGESFG-KRWDZBQOSA-N 0 0 445.544 5.922 50 0 IKAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Oc2ccccc2)nc1 ZINC000040140337 569491581 /nfs/dbraw/zinc/49/15/81/569491581.db2.gz SBNHJKCQPAEXKS-UHFFFAOYSA-N 0 0 425.492 5.111 50 0 IKAARN COc1ccc(-c2cc(NC(=O)COCc3nc4ccccc4s3)ccc2OC)cc1 ZINC000008966340 569491772 /nfs/dbraw/zinc/49/17/72/569491772.db2.gz USZMQNKFXQKXJD-UHFFFAOYSA-N 0 0 434.517 5.136 50 0 IKAARN COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1 ZINC000008971092 569492745 /nfs/dbraw/zinc/49/27/45/569492745.db2.gz BMBWFILNKMNTHH-HXUWFJFHSA-N 0 0 444.535 5.088 50 0 IKAARN CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 ZINC000008973584 569492810 /nfs/dbraw/zinc/49/28/10/569492810.db2.gz BKBXQBXAIBDESK-UHFFFAOYSA-N 0 0 444.487 5.639 50 0 IKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1 ZINC000008974066 569492871 /nfs/dbraw/zinc/49/28/71/569492871.db2.gz QAKBMIYNPVIGDV-FQEVSTJZSA-N 0 0 437.282 5.240 50 0 IKAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008974681 569492982 /nfs/dbraw/zinc/49/29/82/569492982.db2.gz PBJHZUJBHMNEJD-HSZRJFAPSA-N 0 0 442.490 5.370 50 0 IKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000040150031 569493078 /nfs/dbraw/zinc/49/30/78/569493078.db2.gz MGXPEBWNFURLRW-PKTZIBPZSA-N 0 0 446.555 5.389 50 0 IKAARN O=C(Nc1ccccc1CN1CCc2ccccc21)c1ccc(F)cc1Br ZINC000040150642 569493234 /nfs/dbraw/zinc/49/32/34/569493234.db2.gz HHPJNHRXMOLAGZ-UHFFFAOYSA-N 0 0 425.301 5.403 50 0 IKAARN COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cn2ccccc2n1 ZINC000040152487 569493507 /nfs/dbraw/zinc/49/35/07/569493507.db2.gz NSTPLOLTBIIMDO-UHFFFAOYSA-N 0 0 442.302 5.481 50 0 IKAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1)c1occc1-c1ccccc1 ZINC000040152755 569493514 /nfs/dbraw/zinc/49/35/14/569493514.db2.gz DMDKATRRVOWUJE-UHFFFAOYSA-N 0 0 436.464 5.139 50 0 IKAARN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000040155206 569493871 /nfs/dbraw/zinc/49/38/71/569493871.db2.gz HGDPGGRZGXJFNZ-UHFFFAOYSA-N 0 0 439.537 5.084 50 0 IKAARN Cc1noc(C2CCN([C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CC2)n1 ZINC000040156395 569494066 /nfs/dbraw/zinc/49/40/66/569494066.db2.gz GQRFPWGYSYVYKG-FQEVSTJZSA-N 0 0 445.350 5.244 50 0 IKAARN CCOc1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc(OCC)c1OCC ZINC000040156297 569494068 /nfs/dbraw/zinc/49/40/68/569494068.db2.gz WAIICSOJGLUCTC-UHFFFAOYSA-N 0 0 449.551 5.335 50 0 IKAARN Cc1nc(C)c([C@H](C)NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 ZINC000040157037 569494225 /nfs/dbraw/zinc/49/42/25/569494225.db2.gz STYPBZOJJKDCAT-ZDUSSCGKSA-N 0 0 425.583 5.305 50 0 IKAARN COc1ccc(Cc2nnc(SCc3ccc(C(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000008981142 569494487 /nfs/dbraw/zinc/49/44/87/569494487.db2.gz XUOUMODNZUIDIS-UHFFFAOYSA-N 0 0 431.517 5.214 50 0 IKAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccc(F)cc1 ZINC000008982612 569494514 /nfs/dbraw/zinc/49/45/14/569494514.db2.gz SQSXHRNKDHEVIQ-UHFFFAOYSA-N 0 0 442.490 5.235 50 0 IKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1c(Cl)cccc1Cl ZINC000008984005 569494687 /nfs/dbraw/zinc/49/46/87/569494687.db2.gz HDLFXLZIZNCECT-FNORWQNLSA-N 0 0 435.203 6.363 50 0 IKAARN C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000040159365 569494729 /nfs/dbraw/zinc/49/47/29/569494729.db2.gz LHQQCGVUOOREHB-INIZCTEOSA-N 0 0 444.512 5.367 50 0 IKAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 ZINC000008988544 569494986 /nfs/dbraw/zinc/49/49/86/569494986.db2.gz AREFADZJZSHSDA-HZPDHXFCSA-N 0 0 433.021 5.310 50 0 IKAARN C[C@H](NC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)c1ccccc1 ZINC000008990915 569495198 /nfs/dbraw/zinc/49/51/98/569495198.db2.gz QPRZSQOCGJVQTR-INIZCTEOSA-N 0 0 433.891 5.370 50 0 IKAARN CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc(C)c1-c1ccc(F)cc1 ZINC000040161433 569495207 /nfs/dbraw/zinc/49/52/07/569495207.db2.gz BVDCCCOWMUIYMB-UHFFFAOYSA-N 0 0 432.517 5.987 50 0 IKAARN CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000008991032 569495271 /nfs/dbraw/zinc/49/52/71/569495271.db2.gz BGXUEMWRVYEYBT-UHFFFAOYSA-N 0 0 447.874 5.334 50 0 IKAARN CC1=C(CC(=O)Nc2cccc(C)n2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000008993187 569495416 /nfs/dbraw/zinc/49/54/16/569495416.db2.gz IXYXYDLZMWZSMC-XSLJVDACSA-N 0 0 446.547 5.623 50 0 IKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 ZINC000008995230 569495635 /nfs/dbraw/zinc/49/56/35/569495635.db2.gz CSFQVVSDPOUEQJ-NKFKGCMQSA-N 0 0 443.842 5.217 50 0 IKAARN C[C@H]1C(=C\n2c3ccccc3c3ccccc32)/C(=C/n2c3ccccc3c3ccccc32)[C@@H]1C ZINC000040199521 569496059 /nfs/dbraw/zinc/49/60/59/569496059.db2.gz WJUHNDPIQIUKEY-SBHXICPPSA-N 0 0 438.574 8.570 50 0 IKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21 ZINC000009007997 569496173 /nfs/dbraw/zinc/49/61/73/569496173.db2.gz OVLGPJFWFLOUQN-MHECFPHRSA-N 0 0 444.478 5.125 50 0 IKAARN COc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc(OC)c1OC ZINC000009010465 569496457 /nfs/dbraw/zinc/49/64/57/569496457.db2.gz KYJKMHZXIOPMND-UHFFFAOYSA-N 0 0 437.883 5.161 50 0 IKAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1CCN(c2ccc(Cl)cc2)CC1 ZINC000040216931 569496475 /nfs/dbraw/zinc/49/64/75/569496475.db2.gz ICTYOBZGRIZTTE-UHFFFAOYSA-N 0 0 431.971 5.302 50 0 IKAARN Cc1ccc(C)c(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)c1 ZINC000244933185 569496477 /nfs/dbraw/zinc/49/64/77/569496477.db2.gz CFOYMNAXFDGOMM-UHFFFAOYSA-N 0 0 437.568 6.290 50 0 IKAARN Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)c2cc1C ZINC000009010901 569496479 /nfs/dbraw/zinc/49/64/79/569496479.db2.gz BIZPGZLVXMPOMO-UHFFFAOYSA-N 0 0 444.512 5.053 50 0 IKAARN COc1ccc(CCNc2cc(C)nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1OC ZINC000040216717 569496483 /nfs/dbraw/zinc/49/64/83/569496483.db2.gz IYHUQQJUIHSGSL-UHFFFAOYSA-N 0 0 436.943 5.338 50 0 IKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 ZINC000040257522 569497081 /nfs/dbraw/zinc/49/70/81/569497081.db2.gz IXRQAAHIJUDIRQ-OAQYLSRUSA-N 0 0 425.532 5.198 50 0 IKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)c(C)c2oc1=O ZINC000009033725 569497151 /nfs/dbraw/zinc/49/71/51/569497151.db2.gz HVQNPVDNBMMMQD-UHFFFAOYSA-N 0 0 442.555 6.948 50 0 biogenic IKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 ZINC000009033196 569497159 /nfs/dbraw/zinc/49/71/59/569497159.db2.gz OMDXLDUEOJWXPD-HOFKKMOUSA-N 0 0 428.532 5.677 50 0 biogenic IKAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000009036364 569497293 /nfs/dbraw/zinc/49/72/93/569497293.db2.gz PBHOQEOLBRSDDE-UHFFFAOYSA-N 0 0 440.499 5.282 50 0 IKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000009041165 569497580 /nfs/dbraw/zinc/49/75/80/569497580.db2.gz BYDOMPHLXADNNG-JTHBVZDNSA-N 0 0 425.315 6.244 50 0 IKAARN Cc1ccc2c(c1)[C@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C ZINC000009041236 569497600 /nfs/dbraw/zinc/49/76/00/569497600.db2.gz YSRJNBIZEHMUJG-DHLKQENFSA-N 0 0 429.907 5.021 50 0 IKAARN COc1cccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000009043611 569497816 /nfs/dbraw/zinc/49/78/16/569497816.db2.gz VJYHOXGJQWDJRY-OZXSUGGESA-N 0 0 446.978 6.888 50 0 IKAARN COc1cccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)c3ccccc3n2)c1 ZINC000040284467 569497888 /nfs/dbraw/zinc/49/78/88/569497888.db2.gz XURWRGVTKIFUMJ-UHFFFAOYSA-N 0 0 441.487 5.130 50 0 IKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000009045180 569498035 /nfs/dbraw/zinc/49/80/35/569498035.db2.gz DXUDXOSBBKSSCI-BDYUSTAISA-N 0 0 430.523 6.637 50 0 IKAARN CCOc1ccccc1NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000009047215 569498505 /nfs/dbraw/zinc/49/85/05/569498505.db2.gz NYBMQQHHEBKUAR-UHFFFAOYSA-N 0 0 429.472 5.185 50 0 biogenic IKAARN Cc1ccccc1Cc1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 ZINC000040301322 569498661 /nfs/dbraw/zinc/49/86/61/569498661.db2.gz AVHPRJWDGPVAED-UHFFFAOYSA-N 0 0 434.337 5.337 50 0 IKAARN O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)Nc1cccc(Cl)c1 ZINC000040301248 569498675 /nfs/dbraw/zinc/49/86/75/569498675.db2.gz JFBPTLJUBRERRZ-UHFFFAOYSA-N 0 0 441.918 6.061 50 0 IKAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000040306867 569498711 /nfs/dbraw/zinc/49/87/11/569498711.db2.gz RJAXZOFEQJPKDE-UHFFFAOYSA-N 0 0 434.337 5.721 50 0 IKAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1)Nc1ccccc1 ZINC000009052425 569498763 /nfs/dbraw/zinc/49/87/63/569498763.db2.gz UGPHMRNDZLYXQH-UHFFFAOYSA-N 0 0 440.528 5.470 50 0 IKAARN O=C(CSc1nc2ccc(Cl)cc2o1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009052061 569498768 /nfs/dbraw/zinc/49/87/68/569498768.db2.gz NUUBVEFGPKGEDH-LJQANCHMSA-N 0 0 432.929 5.680 50 0 IKAARN COc1ccc(-c2csc(N3N=C(C)C[C@H]3c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000009052697 569498830 /nfs/dbraw/zinc/49/88/30/569498830.db2.gz YPMOWABWTAXRJY-SFHVURJKSA-N 0 0 439.537 5.172 50 0 IKAARN CC[C@H](c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C ZINC000009056365 569499041 /nfs/dbraw/zinc/49/90/41/569499041.db2.gz OYNSRXLWKZWCDD-WZONZLPQSA-N 0 0 448.636 5.191 50 0 IKAARN Cc1nc2cc(Nc3nnc(-c4ccccc4)c4ccccc43)ccc2n1Cc1ccccc1 ZINC000009057561 569499146 /nfs/dbraw/zinc/49/91/46/569499146.db2.gz HAMWNLCQVOCHRY-UHFFFAOYSA-N 0 0 441.538 6.747 50 0 IKAARN CSCC[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000009057702 569499151 /nfs/dbraw/zinc/49/91/51/569499151.db2.gz PNHJBKYKRCQHBJ-JOPBRCQMSA-N 0 0 441.600 5.708 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1ccccc1 ZINC000009056916 569499157 /nfs/dbraw/zinc/49/91/57/569499157.db2.gz WAEJZPAUVOQHMY-UHFFFAOYSA-N 0 0 430.577 5.076 50 0 IKAARN CC(C)N(C(=O)CSc1nnc(-c2ccco2)n1C)c1ccc(Nc2ccccc2)cc1 ZINC000009056827 569499158 /nfs/dbraw/zinc/49/91/58/569499158.db2.gz IVEVSWFBLQXJHI-UHFFFAOYSA-N 0 0 447.564 5.352 50 0 IKAARN CC(C)N(C(=O)CSc1n[nH]c(-c2cccs2)n1)c1ccc(Nc2ccccc2)cc1 ZINC000009056832 569499167 /nfs/dbraw/zinc/49/91/67/569499167.db2.gz UWGIWMIVKGPQDN-UHFFFAOYSA-N 0 0 449.605 5.811 50 0 IKAARN Cn1ccnc1[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000009057974 569499184 /nfs/dbraw/zinc/49/91/84/569499184.db2.gz UPXUPHYTDUYMDV-XMMPIXPASA-N 0 0 431.923 5.025 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009059445 569499314 /nfs/dbraw/zinc/49/93/14/569499314.db2.gz TVKRTQUFFCPHNX-UHFFFAOYSA-N 0 0 446.963 5.898 50 0 IKAARN Cc1ccc(-n2c(-c3ccccc3)cn3c2nc(-c2ccccc2)c3-c2ccccc2)cc1C ZINC000009060317 569499384 /nfs/dbraw/zinc/49/93/84/569499384.db2.gz KDQCNYPRGMPRFJ-UHFFFAOYSA-N 0 0 439.562 7.743 50 0 IKAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000009066021 569499843 /nfs/dbraw/zinc/49/98/43/569499843.db2.gz ZTXVXQYFQRBAAP-PKTZIBPZSA-N 0 0 430.870 5.283 50 0 IKAARN CCCCCN(Cc1cccn1Cc1cccc(Cl)c1)C(=O)c1ccc2ccccc2c1 ZINC000040367621 569500094 /nfs/dbraw/zinc/50/00/94/569500094.db2.gz RPLUWXJLCYXZPX-UHFFFAOYSA-N 0 0 445.006 7.176 50 0 IKAARN O=C(Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1)Nc1cccc(Cl)c1Cl ZINC000040364030 569500096 /nfs/dbraw/zinc/50/00/96/569500096.db2.gz RCYYFDMNTROFEK-UHFFFAOYSA-N 0 0 447.366 5.474 50 0 IKAARN CCc1cc2c(CSc3nnc(-c4ccc(Cl)cc4)n3CC)cc(=O)oc2cc1O ZINC000009072098 569500159 /nfs/dbraw/zinc/50/01/59/569500159.db2.gz PKJNVIQQHQKFJX-UHFFFAOYSA-N 0 0 441.940 5.285 50 0 IKAARN COCCn1c2ccccc2nc1SCc1csc(-c2cccc(OC)c2OC)n1 ZINC000009074045 569500163 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569505549 /nfs/dbraw/zinc/50/55/49/569505549.db2.gz DEXKFLXMEKZHIC-MHZLTWQESA-N 0 0 432.633 6.132 50 0 IKAARN COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2c(Cl)cccc2Cl)c1 ZINC000245380665 569505554 /nfs/dbraw/zinc/50/55/54/569505554.db2.gz GKEWLJJRNZCCMU-XMMPIXPASA-N 0 0 445.365 6.158 50 0 IKAARN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2c(Cl)cccc2Cl)cc1 ZINC000245380604 569505603 /nfs/dbraw/zinc/50/56/03/569505603.db2.gz BSAUBEQBEGNFMV-VWLOTQADSA-N 0 0 443.393 6.848 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(OC)cc3)c(O)c2)cc1 ZINC000009129153 569505642 /nfs/dbraw/zinc/50/56/42/569505642.db2.gz ZERRBJSLRQVBES-UHFFFAOYSA-N 0 0 425.488 5.329 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3Oc3ccccc3OC)c(O)c2)cc1 ZINC000009129085 569505663 /nfs/dbraw/zinc/50/56/63/569505663.db2.gz REMYJVVVYLGQQJ-UHFFFAOYSA-N 0 0 428.488 6.114 50 0 IKAARN Cc1cccc(C)c1NC(=O)CCCSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009129068 569505668 /nfs/dbraw/zinc/50/56/68/569505668.db2.gz OGRGWZQTNPMHTH-UHFFFAOYSA-N 0 0 449.601 5.779 50 0 IKAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccc(Cl)cc21)c1ccco1 ZINC000009129484 569505722 /nfs/dbraw/zinc/50/57/22/569505722.db2.gz IZDKOCBJZZAFEH-VWLOTQADSA-N 0 0 431.875 5.094 50 0 IKAARN C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccc(C(=O)OC)cc3)c(O)c2)cc1 ZINC000009129208 569505732 /nfs/dbraw/zinc/50/57/32/569505732.db2.gz NHELXIOULVKWDX-UHFFFAOYSA-N 0 0 442.471 5.583 50 0 IKAARN CCOc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000009129662 569505763 /nfs/dbraw/zinc/50/57/63/569505763.db2.gz LKQOGEHBQIFJMV-UHFFFAOYSA-N 0 0 430.504 6.169 50 0 IKAARN Cc1ccccc1NC(=O)[C@@]1(c2ccsc2)CC(=O)N1c1ccc(Br)cc1 ZINC000009129650 569505771 /nfs/dbraw/zinc/50/57/71/569505771.db2.gz DHLZJRVDRZQWRY-NRFANRHFSA-N 0 0 441.350 5.090 50 0 IKAARN CCOc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccc(C)cc2)cc1O ZINC000009129710 569505816 /nfs/dbraw/zinc/50/58/16/569505816.db2.gz FUOSNUNJSHUNFZ-UHFFFAOYSA-N 0 0 430.504 6.169 50 0 IKAARN CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O ZINC000009129697 569505851 /nfs/dbraw/zinc/50/58/51/569505851.db2.gz DIEQAISLIHKMPY-UHFFFAOYSA-N 0 0 436.895 6.206 50 0 IKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1OC ZINC000009129685 569505866 /nfs/dbraw/zinc/50/58/66/569505866.db2.gz ADDWAMILOWEGLG-UHFFFAOYSA-N 0 0 448.906 5.766 50 0 IKAARN COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 ZINC000009129999 569505895 /nfs/dbraw/zinc/50/58/95/569505895.db2.gz NKPWUCYQGNOGNE-UHFFFAOYSA-N 0 0 443.503 5.428 50 0 IKAARN COc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@@H]1CCCO1 ZINC000009130126 569505951 /nfs/dbraw/zinc/50/59/51/569505951.db2.gz JHMSBSMPRKYTOI-SFHVURJKSA-N 0 0 444.535 5.088 50 0 IKAARN COc1ccc(/N=c2\cc(-c3cc(OC)c(OC)c(OC)c3)oc3ccccc32)c(OC)c1 ZINC000009130579 569506031 /nfs/dbraw/zinc/50/60/31/569506031.db2.gz JSXXGEJINRBCFG-NHFJDJAPSA-N 0 0 447.487 5.375 50 0 IKAARN COc1ccccc1-c1c(-c2ccc(OCc3ccccc3)cc2O)n[nH]c1C(F)(F)F ZINC000009130584 569506068 /nfs/dbraw/zinc/50/60/68/569506068.db2.gz AEOXFEQWSOWCQQ-UHFFFAOYSA-N 0 0 440.421 6.056 50 0 IKAARN CC(C)C(=O)Nc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 ZINC000069417787 569506211 /nfs/dbraw/zinc/50/62/11/569506211.db2.gz DUFIXYFGWKXWHB-UHFFFAOYSA-N 0 0 430.346 5.245 50 0 IKAARN CCCc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000040451065 569506392 /nfs/dbraw/zinc/50/63/92/569506392.db2.gz JTAZAOWPKGMBCJ-HHHXNRCGSA-N 0 0 444.600 5.765 50 0 IKAARN CCc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000040451088 569506393 /nfs/dbraw/zinc/50/63/93/569506393.db2.gz XGPHRGUCONBASL-SANMLTNESA-N 0 0 430.573 5.375 50 0 IKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000040451098 569506417 /nfs/dbraw/zinc/50/64/17/569506417.db2.gz GVVHZNKCJMUVQI-RUZDIDTESA-N 0 0 434.536 5.260 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000040451099 569506419 /nfs/dbraw/zinc/50/64/19/569506419.db2.gz GVVHZNKCJMUVQI-VWLOTQADSA-N 0 0 434.536 5.260 50 0 IKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000040451083 569506440 /nfs/dbraw/zinc/50/64/40/569506440.db2.gz VIILWIWTGBOHLH-SANMLTNESA-N 0 0 430.573 5.430 50 0 IKAARN Cc1nc(-c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2)cs1 ZINC000040454933 569506462 /nfs/dbraw/zinc/50/64/62/569506462.db2.gz FBIOHEBICUQHST-LJQANCHMSA-N 0 0 430.533 5.306 50 0 IKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000040451111 569506511 /nfs/dbraw/zinc/50/65/11/569506511.db2.gz LIXDUUQKFDJMMS-DEOSSOPVSA-N 0 0 434.586 5.226 50 0 IKAARN Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000040455558 569506564 /nfs/dbraw/zinc/50/65/64/569506564.db2.gz RNPKGUGQGKGLDG-QGZVFWFLSA-N 0 0 439.968 5.377 50 0 IKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478305 569506727 /nfs/dbraw/zinc/50/67/27/569506727.db2.gz QWSJHXLSHFZPFB-UHFFFAOYSA-N 0 0 444.638 5.764 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000040485566 569506821 /nfs/dbraw/zinc/50/68/21/569506821.db2.gz FGGWMTUXTFJXND-HSZRJFAPSA-N 0 0 448.360 5.853 50 0 IKAARN O=C1C(=O)N(CCc2ccccc2)[C@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000040485596 569506830 /nfs/dbraw/zinc/50/68/30/569506830.db2.gz MAEXSZMADDJJRE-JOCHJYFZSA-N 0 0 434.333 5.544 50 0 IKAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000040485602 569506832 /nfs/dbraw/zinc/50/68/32/569506832.db2.gz UREAEJLEZOGLQW-XMMPIXPASA-N 0 0 449.934 5.453 50 0 IKAARN CCc1ccccc1NCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000040487616 569506867 /nfs/dbraw/zinc/50/68/67/569506867.db2.gz ATXUCZLGENZLPA-UHFFFAOYSA-N 0 0 440.381 6.520 50 0 IKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000040485665 569506884 /nfs/dbraw/zinc/50/68/84/569506884.db2.gz VVCARATVMMFVQU-JOCHJYFZSA-N 0 0 440.326 6.055 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000040485886 569506885 /nfs/dbraw/zinc/50/68/85/569506885.db2.gz MMEVZIKZPKLYLR-NRFANRHFSA-N 0 0 435.321 5.205 50 0 IKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000040485836 569506908 /nfs/dbraw/zinc/50/69/08/569506908.db2.gz HXVZQFUKISARQE-NRFANRHFSA-N 0 0 435.321 5.205 50 0 IKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC)c2ccccc2O3)cc1OCC ZINC000009134659 569507039 /nfs/dbraw/zinc/50/70/39/569507039.db2.gz YKHRLYBAHNXAHY-UHFFFAOYSA-N 0 0 446.503 5.509 50 0 IKAARN O=c1c2ccccc2nc(SCc2cn3cc(Cl)ccc3n2)n1-c1ccc(F)cc1 ZINC000009144394 569507320 /nfs/dbraw/zinc/50/73/20/569507320.db2.gz MOMPZZAKTDVXGI-UHFFFAOYSA-N 0 0 436.899 5.118 50 0 IKAARN Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3)nc2n1 ZINC000009141646 569507331 /nfs/dbraw/zinc/50/73/31/569507331.db2.gz JTVWAZCEAIBAFX-UHFFFAOYSA-N 0 0 430.512 5.025 50 0 IKAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000009145289 569507353 /nfs/dbraw/zinc/50/73/53/569507353.db2.gz NLRWDTFMLMUZTF-KRWDZBQOSA-N 0 0 432.376 5.042 50 0 IKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c(SCc3ccc(C)cc3)nc3cccnc32)cc1 ZINC000009151320 569507455 /nfs/dbraw/zinc/50/74/55/569507455.db2.gz VJUHYDCEXNDQEI-LJQANCHMSA-N 0 0 444.604 5.609 50 0 IKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151257 569507464 /nfs/dbraw/zinc/50/74/64/569507464.db2.gz LMGHCAYDMAQKSS-SFHVURJKSA-N 0 0 430.577 5.300 50 0 IKAARN CCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2cccc(F)c2)cc1 ZINC000009151213 569507476 /nfs/dbraw/zinc/50/74/76/569507476.db2.gz CYMFLPCKKNEXGZ-UHFFFAOYSA-N 0 0 434.540 5.051 50 0 IKAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000009151398 569507500 /nfs/dbraw/zinc/50/75/00/569507500.db2.gz NYYHMCNMMLTKTE-HXUWFJFHSA-N 0 0 438.503 5.592 50 0 IKAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000009151388 569507502 /nfs/dbraw/zinc/50/75/02/569507502.db2.gz LAGDPXZYGYYDKO-JOCHJYFZSA-N 0 0 448.567 5.439 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)C4CCC(C(C)(C)C)CC4)ccc3n2)cc1 ZINC000009152161 569507728 /nfs/dbraw/zinc/50/77/28/569507728.db2.gz XXLKTZOXBXQKCF-UHFFFAOYSA-N 0 0 445.607 7.086 50 0 IKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2)cc1 ZINC000009152158 569507760 /nfs/dbraw/zinc/50/77/60/569507760.db2.gz COKUGJSBCYYPJK-UHFFFAOYSA-N 0 0 439.559 6.845 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000009152412 569507778 /nfs/dbraw/zinc/50/77/78/569507778.db2.gz WAMVAVAOQIQMNL-UHFFFAOYSA-N 0 0 430.573 5.708 50 0 IKAARN COc1ccc(OC)c(C[NH2+]Cc2c3ccccc3n(Cc3ccc(C)cc3)c2C(=O)[O-])c1 ZINC000009152415 569507807 /nfs/dbraw/zinc/50/78/07/569507807.db2.gz MRXUHDQNOIQXNS-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc12 ZINC000009153336 569508050 /nfs/dbraw/zinc/50/80/50/569508050.db2.gz UCHKJXOGJGYKFW-UHFFFAOYSA-N 0 0 440.934 6.603 50 0 IKAARN COc1ccc(CCC(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)cc1 ZINC000009153332 569508077 /nfs/dbraw/zinc/50/80/77/569508077.db2.gz ABHGEEPLBHTDKI-UHFFFAOYSA-N 0 0 445.950 6.520 50 0 IKAARN CCN(C(=O)Cn1c(SCc2ccccc2F)nc2cccnc21)c1cccc(C)c1 ZINC000009153291 569508079 /nfs/dbraw/zinc/50/80/79/569508079.db2.gz NNVCLWVXGQUHPE-UHFFFAOYSA-N 0 0 434.540 5.224 50 0 IKAARN CC[C@H](C(=O)Nc1cc(C)ccc1C)n1c(SCc2ccc(C)cc2)nc2cccnc21 ZINC000009153283 569508089 /nfs/dbraw/zinc/50/80/89/569508089.db2.gz WUTFWEPFAAXBDV-HSZRJFAPSA-N 0 0 444.604 6.239 50 0 IKAARN CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009158049 569508469 /nfs/dbraw/zinc/50/84/69/569508469.db2.gz OHNMMEZNPWRYIZ-NRFANRHFSA-N 0 0 432.476 5.107 50 0 IKAARN CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009158274 569508480 /nfs/dbraw/zinc/50/84/80/569508480.db2.gz ARXVVWFRTPQISB-HSZRJFAPSA-N 0 0 433.548 5.451 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1Cl ZINC000009158442 569508528 /nfs/dbraw/zinc/50/85/28/569508528.db2.gz YHLOHODZHWFWOD-XXBNENTESA-N 0 0 439.298 5.964 50 0 IKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009158635 569508548 /nfs/dbraw/zinc/50/85/48/569508548.db2.gz 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569512711 /nfs/dbraw/zinc/51/27/11/569512711.db2.gz SBDLTHQRKAJKIB-DEOSSOPVSA-N 0 0 442.540 5.528 50 0 IKAARN O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000009222416 569512730 /nfs/dbraw/zinc/51/27/30/569512730.db2.gz OVMCVAAPXFFWBI-UHFFFAOYSA-N 0 0 430.533 5.037 50 0 IKAARN COc1cc(NC(=O)c2ccccc2SCc2ccccc2F)c(OC)cc1Cl ZINC000009222900 569512830 /nfs/dbraw/zinc/51/28/30/569512830.db2.gz XRWDQKUGQBVFCI-UHFFFAOYSA-N 0 0 431.916 6.041 50 0 IKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc(Br)cc2F)n1 ZINC000009223218 569512894 /nfs/dbraw/zinc/51/28/94/569512894.db2.gz RDAWWMJYFKRNOE-UHFFFAOYSA-N 0 0 446.345 5.540 50 0 IKAARN O=C(Cn1c2ccccc2nc1SCc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000009224076 569513147 /nfs/dbraw/zinc/51/31/47/569513147.db2.gz WRBSLOOTAQIYCI-UHFFFAOYSA-N 0 0 441.478 5.986 50 0 IKAARN COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2ccc(Br)cc2)o1 ZINC000009226302 569513249 /nfs/dbraw/zinc/51/32/49/569513249.db2.gz KKIUHPZRDOQSHA-UHFFFAOYSA-N 0 0 439.718 5.136 50 0 IKAARN CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009227594 569513457 /nfs/dbraw/zinc/51/34/57/569513457.db2.gz KFGZNHMQKNFQFV-LJQANCHMSA-N 0 0 433.562 5.172 50 0 IKAARN CC(C)Cn1cc(NC(=O)N(Cc2ccco2)[C@H]2CCCC[C@@H]2C)c2ccccc2c1=O ZINC000009227591 569513477 /nfs/dbraw/zinc/51/34/77/569513477.db2.gz JQPPYOKMOMOVQZ-CYFREDJKSA-N 0 0 435.568 5.863 50 0 IKAARN Cc1cc(Br)ccc1NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000009227524 569513478 /nfs/dbraw/zinc/51/34/78/569513478.db2.gz CKGKYSFNDMPWPH-UHFFFAOYSA-N 0 0 428.330 5.372 50 0 IKAARN CC(C)Cn1cc(NC(=O)N(Cc2ccco2)[C@@H](C)c2ccccc2)c2ccccc2c1=O ZINC000009227579 569513485 /nfs/dbraw/zinc/51/34/85/569513485.db2.gz IZWMALNDRCHIEN-FQEVSTJZSA-N 0 0 443.547 6.046 50 0 IKAARN CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccc(CC)cc3)c21 ZINC000009228172 569513525 /nfs/dbraw/zinc/51/35/25/569513525.db2.gz GDIVQSGJRWQNTO-UHFFFAOYSA-N 0 0 442.563 5.783 50 0 IKAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3n[nH]c(-c4ccc(C)cc4)c32)cc1 ZINC000009228175 569513556 /nfs/dbraw/zinc/51/35/56/569513556.db2.gz XURDSCCNXFUXQL-UHFFFAOYSA-N 0 0 446.554 6.147 50 0 IKAARN CCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000009228188 569513625 /nfs/dbraw/zinc/51/36/25/569513625.db2.gz YCZMDUWZIIHXRU-UHFFFAOYSA-N 0 0 432.955 6.174 50 0 IKAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1 ZINC000009229071 569513657 /nfs/dbraw/zinc/51/36/57/569513657.db2.gz JYNLAUVTXPDDJY-UHFFFAOYSA-N 0 0 428.532 5.254 50 0 IKAARN COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c(OC)c1 ZINC000009229069 569513670 /nfs/dbraw/zinc/51/36/70/569513670.db2.gz VFXGHUNHYDIMMY-UHFFFAOYSA-N 0 0 428.532 5.254 50 0 IKAARN CSc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1 ZINC000009229098 569513681 /nfs/dbraw/zinc/51/36/81/569513681.db2.gz YHFYVRUFAYXNOQ-UHFFFAOYSA-N 0 0 432.564 6.097 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc(N3CCc4ccccc43)s2)cc1OCC ZINC000009229178 569513692 /nfs/dbraw/zinc/51/36/92/569513692.db2.gz SFGZWEVOOQGUHO-UHFFFAOYSA-N 0 0 436.577 5.212 50 0 IKAARN Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)s1 ZINC000009229209 569513700 /nfs/dbraw/zinc/51/37/00/569513700.db2.gz PNOBDICCDIYGCO-UHFFFAOYSA-N 0 0 449.620 5.302 50 0 IKAARN COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc4nccnc4c3)C2)c1 ZINC000069701141 569513704 /nfs/dbraw/zinc/51/37/04/569513704.db2.gz JPKSZFZZASZSSN-XMMPIXPASA-N 0 0 442.906 5.283 50 0 IKAARN COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)NCc3ccco3)s1)C2 ZINC000009229148 569513745 /nfs/dbraw/zinc/51/37/45/569513745.db2.gz QROFRWSJIFEVEU-UHFFFAOYSA-N 0 0 433.489 5.119 50 0 IKAARN CCOc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000009232572 569513780 /nfs/dbraw/zinc/51/37/80/569513780.db2.gz OWCFUXKXGAWNHL-SSEXGKCCSA-N 0 0 447.582 7.053 50 0 IKAARN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1 ZINC000009233196 569513851 /nfs/dbraw/zinc/51/38/51/569513851.db2.gz LEOZEWXEGDDBGK-JJIBRWJFSA-N 0 0 429.541 5.853 50 0 IKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)cc1 ZINC000009234268 569513914 /nfs/dbraw/zinc/51/39/14/569513914.db2.gz DZSYBWLZCNYYNT-FCRSDJTPSA-N 0 0 425.370 6.207 50 0 IKAARN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccncc3)nc2c(C)c1 ZINC000009233660 569513932 /nfs/dbraw/zinc/51/39/32/569513932.db2.gz FSUKOXUTGIAENT-NRFANRHFSA-N 0 0 439.496 5.164 50 0 IKAARN O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccccc1F ZINC000009233995 569513940 /nfs/dbraw/zinc/51/39/40/569513940.db2.gz ANATZMZNKAMVBM-XQNSMLJCSA-N 0 0 449.503 5.520 50 0 IKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 ZINC000009235197 569514047 /nfs/dbraw/zinc/51/40/47/569514047.db2.gz IXMSEQDSSJXUBR-UHFFFAOYSA-N 0 0 440.572 5.862 50 0 IKAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)nc21 ZINC000009242074 569514666 /nfs/dbraw/zinc/51/46/66/569514666.db2.gz PYBNKJWPHORSJP-UHFFFAOYSA-N 0 0 446.557 5.547 50 0 IKAARN O=C(Cc1cccc2ccccc21)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000009241794 569514676 /nfs/dbraw/zinc/51/46/76/569514676.db2.gz XTAIIGMCJPVHDF-UHFFFAOYSA-N 0 0 443.959 6.274 50 0 IKAARN COc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cccc4ccccc43)sc2c1 ZINC000009241584 569514710 /nfs/dbraw/zinc/51/47/10/569514710.db2.gz NTWQZKMFEQCNSS-UHFFFAOYSA-N 0 0 439.540 5.629 50 0 IKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1O ZINC000009243231 569514819 /nfs/dbraw/zinc/51/48/19/569514819.db2.gz PNVBXVVGIKUBKA-UHFFFAOYSA-N 0 0 441.314 6.344 50 0 IKAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000009243717 569514970 /nfs/dbraw/zinc/51/49/70/569514970.db2.gz JBCUWDNNRZJBTC-VWLOTQADSA-N 0 0 443.478 5.291 50 0 IKAARN CCCCCN1C(=O)N(c2cccc(C)c2)[C@H](N(O)C(=O)Nc2cccc(C)c2)C1(C)C ZINC000009244368 569515035 /nfs/dbraw/zinc/51/50/35/569515035.db2.gz SPPNSABZNNSWHM-JOCHJYFZSA-N 0 0 438.572 5.764 50 0 IKAARN Cc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000009243778 569515052 /nfs/dbraw/zinc/51/50/52/569515052.db2.gz CCTDKNRYPZBPTC-DEOSSOPVSA-N 0 0 444.922 5.193 50 0 IKAARN COc1ccc(OCCS[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000009244648 569515070 /nfs/dbraw/zinc/51/50/70/569515070.db2.gz YPDIOYQZJADTRU-ZDUSSCGKSA-N 0 0 444.603 5.595 50 0 IKAARN O[C@@H](COc1ccccc1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000009244802 569515154 /nfs/dbraw/zinc/51/51/54/569515154.db2.gz XBHJIMQNBYEHJC-LXFBAYGMSA-N 0 0 444.619 5.822 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1Cl ZINC000009245236 569515262 /nfs/dbraw/zinc/51/52/62/569515262.db2.gz URXYKJKASOEPSB-HXUWFJFHSA-N 0 0 437.879 5.064 50 0 IKAARN COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1F ZINC000009245661 569515359 /nfs/dbraw/zinc/51/53/59/569515359.db2.gz RWIBBCYVMKSSFP-UHFFFAOYSA-N 0 0 448.523 5.069 50 0 IKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000009246709 569515436 /nfs/dbraw/zinc/51/54/36/569515436.db2.gz FZVXLGWYGIDIBX-UHFFFAOYSA-N 0 0 445.544 5.801 50 0 IKAARN O=C1C2=C(CCCC2)[C@H](SCc2ccc(Cl)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000009246281 569515463 /nfs/dbraw/zinc/51/54/63/569515463.db2.gz MIZWLDROEUIRBC-QHCPKHFHSA-N 0 0 427.953 5.541 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2cccc(Cl)c2C)n1 ZINC000009250024 569515576 /nfs/dbraw/zinc/51/55/76/569515576.db2.gz MCECFVDMPBPEHY-UHFFFAOYSA-N 0 0 439.968 5.643 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2nc3ccccc3s2)n1 ZINC000009250041 569515588 /nfs/dbraw/zinc/51/55/88/569515588.db2.gz OVYJRHFOJNYHDS-UHFFFAOYSA-N 0 0 448.573 5.291 50 0 IKAARN CCc1cccc(C)c1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1C ZINC000009250105 569515628 /nfs/dbraw/zinc/51/56/28/569515628.db2.gz XXZUAOGGIUTDOB-UHFFFAOYSA-N 0 0 447.604 5.861 50 0 IKAARN CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000009250119 569515630 /nfs/dbraw/zinc/51/56/30/569515630.db2.gz UJIQOPYHDWFEMH-UHFFFAOYSA-N 0 0 449.576 5.389 50 0 IKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)N[C@@H](C)c2ccccc2)n1 ZINC000009250103 569515634 /nfs/dbraw/zinc/51/56/34/569515634.db2.gz ZRKQVANFHUWSIJ-IBGZPJMESA-N 0 0 433.577 5.229 50 0 IKAARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)c(C)c1 ZINC000009250096 569515642 /nfs/dbraw/zinc/51/56/42/569515642.db2.gz AFIRPTYEWBETDI-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009250116 569515647 /nfs/dbraw/zinc/51/56/47/569515647.db2.gz CMQHQGPMERHHAM-UHFFFAOYSA-N 0 0 433.577 5.607 50 0 IKAARN CCOc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000009250090 569515650 /nfs/dbraw/zinc/51/56/50/569515650.db2.gz BVSZJMNMJINUFR-UHFFFAOYSA-N 0 0 434.561 5.633 50 0 IKAARN COc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009250170 569515697 /nfs/dbraw/zinc/51/56/97/569515697.db2.gz FKSBETLVBJTQCG-UHFFFAOYSA-N 0 0 449.576 5.307 50 0 IKAARN CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccc(C)cc1 ZINC000009250211 569515707 /nfs/dbraw/zinc/51/57/07/569515707.db2.gz ZISKPRGMTWVZPK-UHFFFAOYSA-N 0 0 449.576 5.389 50 0 IKAARN CCOC(=O)c1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000009251099 569515728 /nfs/dbraw/zinc/51/57/28/569515728.db2.gz QNQLJDIGFRJCPH-MRXNPFEDSA-N 0 0 437.565 5.477 50 0 IKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3OC)s2)c1C ZINC000009250781 569515735 /nfs/dbraw/zinc/51/57/35/569515735.db2.gz AMKGWMQJELPWEI-UHFFFAOYSA-N 0 0 432.977 5.511 50 0 IKAARN C[C@H](NC(=O)Nc1cccc(Br)c1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000009251094 569515762 /nfs/dbraw/zinc/51/57/62/569515762.db2.gz VSQGURHDTCGUDE-AWEZNQCLSA-N 0 0 444.398 6.063 50 0 IKAARN Cc1c(C(=O)NCc2cccc(Cl)c2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251329 569515807 /nfs/dbraw/zinc/51/58/07/569515807.db2.gz KBAXWYNDODDQFM-UHFFFAOYSA-N 0 0 437.923 5.993 50 0 biogenic IKAARN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000009251321 569515808 /nfs/dbraw/zinc/51/58/08/569515808.db2.gz JFNSZBKFSVVILD-UHFFFAOYSA-N 0 0 447.466 5.351 50 0 IKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251334 569515829 /nfs/dbraw/zinc/51/58/29/569515829.db2.gz MAQIEVOTOFGANA-UHFFFAOYSA-N 0 0 437.923 6.623 50 0 biogenic IKAARN COc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000009251432 569515857 /nfs/dbraw/zinc/51/58/57/569515857.db2.gz VGHPSGXAFVDULD-UHFFFAOYSA-N 0 0 433.504 6.060 50 0 biogenic IKAARN CCOC(=O)c1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)c1 ZINC000009251379 569515860 /nfs/dbraw/zinc/51/58/60/569515860.db2.gz JFVCDBGEJCURID-UHFFFAOYSA-N 0 0 447.487 5.448 50 0 biogenic IKAARN CCCOc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)cc1 ZINC000009251396 569515871 /nfs/dbraw/zinc/51/58/71/569515871.db2.gz WGFDWAFOXLPCTP-UHFFFAOYSA-N 0 0 447.531 5.738 50 0 biogenic IKAARN Cc1c(C(=O)N[C@H]2CCCc3ccccc32)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251387 569515874 /nfs/dbraw/zinc/51/58/74/569515874.db2.gz MJCBRJDGYYCRNM-IBGZPJMESA-N 0 0 429.516 5.827 50 0 biogenic IKAARN Cc1c(C(=O)NCCc2ccc(C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251425 569515875 /nfs/dbraw/zinc/51/58/75/569515875.db2.gz VNRNKXVNYQXQEB-UHFFFAOYSA-N 0 0 445.559 6.080 50 0 biogenic IKAARN Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251388 569515877 /nfs/dbraw/zinc/51/58/77/569515877.db2.gz JWQFQNXTBZQZHT-UHFFFAOYSA-N 0 0 433.460 5.043 50 0 biogenic IKAARN Cc1c(C(=O)NCc2ccccc2F)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251438 569515878 /nfs/dbraw/zinc/51/58/78/569515878.db2.gz IUAYKRLHZPMEEH-UHFFFAOYSA-N 0 0 435.495 5.869 50 0 biogenic IKAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251421 569515886 /nfs/dbraw/zinc/51/58/86/569515886.db2.gz WOJZSCKVZOZVKU-SFHVURJKSA-N 0 0 431.532 6.290 50 0 biogenic IKAARN Cc1c(C(=O)NCc2cccc(F)c2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251439 569515887 /nfs/dbraw/zinc/51/58/87/569515887.db2.gz MGFFUVCIAXUSFG-UHFFFAOYSA-N 0 0 435.495 5.869 50 0 biogenic IKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000009251419 569515897 /nfs/dbraw/zinc/51/58/97/569515897.db2.gz CXOKUWBMFGSPBQ-UHFFFAOYSA-N 0 0 431.532 6.669 50 0 biogenic IKAARN CN1c2cc(NC(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccccc2C1=O ZINC000009251512 569515900 /nfs/dbraw/zinc/51/59/00/569515900.db2.gz TXKGLUZNOCLUIU-UHFFFAOYSA-N 0 0 437.952 5.445 50 0 IKAARN O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2)N1CCCC1 ZINC000009251543 569515916 /nfs/dbraw/zinc/51/59/16/569515916.db2.gz DUHHMTVZQLUULZ-UHFFFAOYSA-N 0 0 429.545 5.626 50 0 IKAARN CCN(CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1)c1cccc(C)c1 ZINC000009251900 569515953 /nfs/dbraw/zinc/51/59/53/569515953.db2.gz LFUOGUZTMQWLLR-UHFFFAOYSA-N 0 0 446.620 5.659 50 0 IKAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCC(Cc3ccccc3)CC1)c2-n1cccc1 ZINC000009251892 569515959 /nfs/dbraw/zinc/51/59/59/569515959.db2.gz IOGUEIVSXFAISX-UHFFFAOYSA-N 0 0 429.589 5.799 50 0 IKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000009252157 569515960 /nfs/dbraw/zinc/51/59/60/569515960.db2.gz FNBWCKHFBSBTAK-UHFFFAOYSA-N 0 0 435.552 6.437 50 0 IKAARN CC(=O)Nc1nc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cs1 ZINC000009253230 569516219 /nfs/dbraw/zinc/51/62/19/569516219.db2.gz CCTLGJNCMGGNSP-UHFFFAOYSA-N 0 0 433.990 5.421 50 0 IKAARN COc1cc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(C)c2)cc(OC)c1OC ZINC000009253674 569516275 /nfs/dbraw/zinc/51/62/75/569516275.db2.gz UTXNLQOMVJICJZ-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN C[C@H]1C[C@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 ZINC000009255912 569516631 /nfs/dbraw/zinc/51/66/31/569516631.db2.gz LBNNTEYWLDZNQJ-SJCJKPOMSA-N 0 0 434.348 5.096 50 0 IKAARN C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000009255864 569516665 /nfs/dbraw/zinc/51/66/65/569516665.db2.gz MPWMCFBVGPFGSU-ZDUSSCGKSA-N 0 0 436.562 5.267 50 0 IKAARN COc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)cc1 ZINC000009256256 569516732 /nfs/dbraw/zinc/51/67/32/569516732.db2.gz SHZYMOVLDUHARX-UHFFFAOYSA-N 0 0 434.590 5.628 50 0 IKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C3CC3)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000009266848 569517457 /nfs/dbraw/zinc/51/74/57/569517457.db2.gz SJXAZTVQYKOWPI-UHFFFAOYSA-N 0 0 444.966 6.437 50 0 IKAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1Cl ZINC000009266623 569517460 /nfs/dbraw/zinc/51/74/60/569517460.db2.gz ZWWYJFJNTBIQLO-UHFFFAOYSA-N 0 0 432.911 5.521 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3C)c12 ZINC000009266690 569517464 /nfs/dbraw/zinc/51/74/64/569517464.db2.gz LVTSZKTZIRXOCG-UHFFFAOYSA-N 0 0 430.939 6.129 50 0 IKAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N(Cc1ccco1)C1CCCC1 ZINC000009268822 569517547 /nfs/dbraw/zinc/51/75/47/569517547.db2.gz ONOLMPLNSTZQPD-UHFFFAOYSA-N 0 0 446.472 5.148 50 0 IKAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1ccccc1Br ZINC000009269304 569517563 /nfs/dbraw/zinc/51/75/63/569517563.db2.gz JDCFSMVNPFICHN-UHFFFAOYSA-N 0 0 435.325 5.295 50 0 IKAARN c1ccc(C2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5ccccc5c4)=NN23)cc1 ZINC000009272573 569517931 /nfs/dbraw/zinc/51/79/31/569517931.db2.gz FNPYUOROCPGESM-DKDYRQSZSA-N 0 0 444.578 7.437 50 0 IKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Br)cc1 ZINC000009272167 569517940 /nfs/dbraw/zinc/51/79/40/569517940.db2.gz YIJHKRLOPMDMFE-UHFFFAOYSA-N 0 0 447.332 5.446 50 0 IKAARN CC1CCN(C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)NC(=O)c2ccccc2)CC1 ZINC000009272648 569517988 /nfs/dbraw/zinc/51/79/88/569517988.db2.gz DFRDMSTTZYBKBI-QJOMJCCJSA-N 0 0 448.950 5.629 50 0 IKAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)nc21 ZINC000009274006 569518135 /nfs/dbraw/zinc/51/81/35/569518135.db2.gz XODFNBVZFPXXEV-UHFFFAOYSA-N 0 0 446.557 5.465 50 0 IKAARN Cc1ccc2c(C[NH2+]Cc3ccc(Cl)cc3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000009274820 569518187 /nfs/dbraw/zinc/51/81/87/569518187.db2.gz MUXJWILDKXCSCY-UHFFFAOYSA-N 0 0 432.951 5.948 50 0 IKAARN COc1ccc2c(C[NH2+]CCc3ccc(C)cc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274778 569518208 /nfs/dbraw/zinc/51/82/08/569518208.db2.gz FZZPCDSILJGKKO-UHFFFAOYSA-N 0 0 446.522 5.176 50 0 IKAARN Cc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000009274824 569518247 /nfs/dbraw/zinc/51/82/47/569518247.db2.gz WCXDFSQEKJQZLE-UHFFFAOYSA-N 0 0 442.515 5.023 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3ccccc3C)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274776 569518254 /nfs/dbraw/zinc/51/82/54/569518254.db2.gz DWCRRGNCYUQEAA-UHFFFAOYSA-N 0 0 432.495 5.134 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccc(C)cc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000009274876 569518309 /nfs/dbraw/zinc/51/83/09/569518309.db2.gz USGWPAKHEDWCEM-UHFFFAOYSA-N 0 0 446.522 5.524 50 0 IKAARN COc1ccccc1CC[NH2+]Cc1c2ccc(C)cc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000009274829 569518326 /nfs/dbraw/zinc/51/83/26/569518326.db2.gz RFERZUWJMHKILI-UHFFFAOYSA-N 0 0 442.559 5.346 50 0 IKAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccccc3OC)c2C(=O)[O-])cc1 ZINC000009274959 569518328 /nfs/dbraw/zinc/51/83/28/569518328.db2.gz LQGADWIKYOGNKW-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cc(C)ccc1C ZINC000009277460 569518477 /nfs/dbraw/zinc/51/84/77/569518477.db2.gz CFAJMEAAGMACRI-UHFFFAOYSA-N 0 0 439.968 5.665 50 0 IKAARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc(OC)c1OC ZINC000009281022 569518560 /nfs/dbraw/zinc/51/85/60/569518560.db2.gz IETLLEJSUPDFJV-QFQXNSOFSA-N 0 0 430.504 5.263 50 0 IKAARN CSc1nc2c(sc3nc(C)c4c(c32)CC(C)(C)OC4)c(NCc2cccnc2)n1 ZINC000009282624 569518641 /nfs/dbraw/zinc/51/86/41/569518641.db2.gz BCPDTLYDCAYVEH-UHFFFAOYSA-N 0 0 437.594 5.128 50 0 IKAARN COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2O)c1 ZINC000009282190 569518683 /nfs/dbraw/zinc/51/86/83/569518683.db2.gz YDGRPBBQNODXMY-UHFFFAOYSA-N 0 0 436.895 6.124 50 0 IKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1C(=O)c1ccccc1 ZINC000009282997 569518776 /nfs/dbraw/zinc/51/87/76/569518776.db2.gz CICVVCPEQCJVCU-UHFFFAOYSA-N 0 0 449.919 5.352 50 0 IKAARN COc1cc(CN(C)C(=O)Cc2coc3ccc4ccccc4c23)ccc1OC(F)F ZINC000009283978 569518938 /nfs/dbraw/zinc/51/89/38/569518938.db2.gz MCMZVZSHJDFSPN-UHFFFAOYSA-N 0 0 425.431 5.397 50 0 IKAARN c1ccc(-c2nnc(Cn3c(COc4ccc5ccccc5c4)nc4ccccc43)o2)cc1 ZINC000009285107 569519156 /nfs/dbraw/zinc/51/91/56/569519156.db2.gz ZDWFZKJFJAPTTN-UHFFFAOYSA-N 0 0 432.483 5.867 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000009284969 569519174 /nfs/dbraw/zinc/51/91/74/569519174.db2.gz CYPYREHJIHAULH-NRFANRHFSA-N 0 0 427.859 5.333 50 0 IKAARN CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1Nc1ccc(Br)cc1F ZINC000009286708 569519241 /nfs/dbraw/zinc/51/92/41/569519241.db2.gz TYQRZPFBDCFIPJ-UHFFFAOYSA-N 0 0 437.334 5.297 50 0 IKAARN C=C1C(Nc2cc(Cl)c(OC)cc2OC)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009286701 569519243 /nfs/dbraw/zinc/51/92/43/569519243.db2.gz FMZWGLAOUBTUPV-UHFFFAOYSA-N 0 0 434.945 5.066 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N[C@H](C)CCc1ccccc1)c2Sc1ccc(Cl)cc1 ZINC000009288274 569519356 /nfs/dbraw/zinc/51/93/56/569519356.db2.gz ZEFZIKBSEZISEH-GOSISDBHSA-N 0 0 449.019 7.032 50 0 IKAARN Cc1ccc2c(c1)[nH]c(C(=O)N[C@H]1CCCc3ccccc31)c2Sc1ccc(Cl)cc1 ZINC000009288252 569519366 /nfs/dbraw/zinc/51/93/66/569519366.db2.gz NIFZCHMJBSPRGZ-QFIPXVFZSA-N 0 0 447.003 7.088 50 0 IKAARN CCCSCCCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1 ZINC000009288483 569519458 /nfs/dbraw/zinc/51/94/58/569519458.db2.gz WHKIRFNJOMFQPD-UHFFFAOYSA-N 0 0 428.623 5.899 50 0 IKAARN CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289245 569519511 /nfs/dbraw/zinc/51/95/11/569519511.db2.gz DQULKIFOHDATNJ-UXHICEINSA-N 0 0 431.561 5.065 50 0 IKAARN CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000009289211 569519538 /nfs/dbraw/zinc/51/95/38/569519538.db2.gz PXQFMOZRTJSVKA-HHHXNRCGSA-N 0 0 437.543 5.486 50 0 IKAARN COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc2ccccc2c1 ZINC000009289229 569519564 /nfs/dbraw/zinc/51/95/64/569519564.db2.gz OFQNAXSYPWTZJA-NDEPHWFRSA-N 0 0 446.506 5.706 50 0 IKAARN CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289297 569519576 /nfs/dbraw/zinc/51/95/76/569519576.db2.gz ROAACCIFCSZQAV-INIZCTEOSA-N 0 0 441.940 5.171 50 0 IKAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1Cl ZINC000009290750 569519752 /nfs/dbraw/zinc/51/97/52/569519752.db2.gz BZNDVTGNUWOXLN-VWLOTQADSA-N 0 0 443.934 5.324 50 0 IKAARN Clc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009291884 569519853 /nfs/dbraw/zinc/51/98/53/569519853.db2.gz HQRPJHDTNALSAM-TZIWHRDSSA-N 0 0 438.756 6.599 50 0 IKAARN CCOc1ccccc1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000009291814 569519862 /nfs/dbraw/zinc/51/98/62/569519862.db2.gz MYPAVQZAAFDTRC-UHFFFAOYSA-N 0 0 444.531 5.330 50 0 IKAARN Brc1ccc(-n2ncc3c2ncnc3SCc2cccc3ccccc32)cc1 ZINC000009291802 569519877 /nfs/dbraw/zinc/51/98/77/569519877.db2.gz DVYCQBQWEZQQNO-UHFFFAOYSA-N 0 0 447.361 6.024 50 0 IKAARN COc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009291392 569519902 /nfs/dbraw/zinc/51/99/02/569519902.db2.gz QBQHUJAQWDHEPP-IRLDBZIGSA-N 0 0 434.337 5.954 50 0 IKAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000009292039 569519928 /nfs/dbraw/zinc/51/99/28/569519928.db2.gz BGJIQGXCPLSHCN-ZDUSSCGKSA-N 0 0 449.605 5.924 50 0 IKAARN COc1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 ZINC000009291902 569519934 /nfs/dbraw/zinc/51/99/34/569519934.db2.gz VRMXVWYENXLRDN-RBBKRZOGSA-N 0 0 434.337 5.954 50 0 IKAARN Clc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009292521 569520012 /nfs/dbraw/zinc/52/00/12/569520012.db2.gz HQRPJHDTNALSAM-CTNGQTDRSA-N 0 0 438.756 6.599 50 0 IKAARN Clc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3c4ccccc4nc3N2)cc1 ZINC000009292694 569520038 /nfs/dbraw/zinc/52/00/38/569520038.db2.gz BJYTZTREKYKEEF-FPOVZHCZSA-N 0 0 438.756 6.599 50 0 IKAARN CCOc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009292835 569520069 /nfs/dbraw/zinc/52/00/69/569520069.db2.gz XLFGJRLYWRFFKK-FYYLOGMGSA-N 0 0 448.364 6.344 50 0 IKAARN Clc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 ZINC000009292729 569520084 /nfs/dbraw/zinc/52/00/84/569520084.db2.gz XXRXIRGVKWETJT-CTNGQTDRSA-N 0 0 438.756 6.599 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1Cl ZINC000009293259 569520129 /nfs/dbraw/zinc/52/01/29/569520129.db2.gz IZYMSRNDGIYNOA-YADHBBJMSA-N 0 0 448.313 5.193 50 0 IKAARN Cc1ccc2c(c1)C1=C([C@@H](c3ccc(C(C)C)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293636 569520276 /nfs/dbraw/zinc/52/02/76/569520276.db2.gz HVVUEJNVKJTPPU-IZZNHLLZSA-N 0 0 435.531 5.318 50 0 IKAARN COc1cccc2sc(N(Cc3ccccn3)C(=O)CCSc3ccc(C)cc3)nc21 ZINC000009294047 569520304 /nfs/dbraw/zinc/52/03/04/569520304.db2.gz UTGCAZVHCLBMLR-UHFFFAOYSA-N 0 0 449.601 5.724 50 0 IKAARN Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000009295709 569520347 /nfs/dbraw/zinc/52/03/47/569520347.db2.gz IVVOWPYCRDQNJB-UCQKPKSFSA-N 0 0 449.959 6.464 50 0 IKAARN Cc1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000009295687 569520377 /nfs/dbraw/zinc/52/03/77/569520377.db2.gz YEUQNYZAHXVXOP-UCQKPKSFSA-N 0 0 449.959 6.464 50 0 IKAARN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000009296233 569520388 /nfs/dbraw/zinc/52/03/88/569520388.db2.gz STSTYHYOFHILIK-UHFFFAOYSA-N 0 0 427.744 5.267 50 0 IKAARN CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009296377 569520450 /nfs/dbraw/zinc/52/04/50/569520450.db2.gz MCMILQIDCOHNQV-UHFFFAOYSA-N 0 0 428.989 5.104 50 0 IKAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000009300020 569520574 /nfs/dbraw/zinc/52/05/74/569520574.db2.gz UCCDIGWNGSSVDF-UGKGYDQZSA-N 0 0 445.332 5.417 50 0 IKAARN COc1ccccc1[C@]1(CCN(Cc2ccccc2)C(=O)c2ccco2)CCOC(C)(C)C1 ZINC000009300362 569520611 /nfs/dbraw/zinc/52/06/11/569520611.db2.gz FNODXOBVXMXNON-MUUNZHRXSA-N 0 0 447.575 5.848 50 0 biogenic IKAARN COc1ccc(-c2c(N)oc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1OC ZINC000009302674 569520926 /nfs/dbraw/zinc/52/09/26/569520926.db2.gz SXAFPWRRGAHOOI-UHFFFAOYSA-N 0 0 437.879 5.292 50 0 IKAARN COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(OC)c2)c1 ZINC000009302925 569520944 /nfs/dbraw/zinc/52/09/44/569520944.db2.gz CJERHKSNWQLSAE-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN Cc1nc2[nH]c(SCC(=O)c3ccc(Cl)c(Cl)c3)nc2cc1Br ZINC000009307187 569521386 /nfs/dbraw/zinc/52/13/86/569521386.db2.gz HHPLNBKEZXCTOG-UHFFFAOYSA-N 0 0 431.142 5.311 50 0 IKAARN Brc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009304739 569521152 /nfs/dbraw/zinc/52/11/52/569521152.db2.gz GVRVYQAAZNPRCM-CVDCTZTESA-N 0 0 449.304 5.420 50 0 IKAARN Cc1cccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)c1 ZINC000009304557 569521178 /nfs/dbraw/zinc/52/11/78/569521178.db2.gz GXQRBJAJVQAXCL-XMMPIXPASA-N 0 0 440.506 6.539 50 0 IKAARN Brc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009304741 569521197 /nfs/dbraw/zinc/52/11/97/569521197.db2.gz GVRVYQAAZNPRCM-XXBNENTESA-N 0 0 449.304 5.420 50 0 IKAARN O=C(Nc1ccc(Cl)cc1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000009305341 569521241 /nfs/dbraw/zinc/52/12/41/569521241.db2.gz KZBFLSUWXHMQQW-UHFFFAOYSA-N 0 0 442.730 6.121 50 0 IKAARN Cc1c(C)n(Cc2cccnc2)c2ncn3nc(COc4ccc(C(C)(C)C)cc4)nc3c12 ZINC000009306149 569521286 /nfs/dbraw/zinc/52/12/86/569521286.db2.gz CSDQAXSBALIPNO-UHFFFAOYSA-N 0 0 440.551 5.016 50 0 IKAARN O=C(Nc1cc(Cl)ccc1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000009306652 569521316 /nfs/dbraw/zinc/52/13/16/569521316.db2.gz FQYBLBDVEZGGMA-UHFFFAOYSA-N 0 0 442.730 6.121 50 0 IKAARN CC(C)CCC[C@H](C)NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 ZINC000009307234 569521412 /nfs/dbraw/zinc/52/14/12/569521412.db2.gz PDJWMCGNNZZAIY-INIZCTEOSA-N 0 0 433.531 5.240 50 0 IKAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000009307470 569521414 /nfs/dbraw/zinc/52/14/14/569521414.db2.gz VBIBFHMVKHZJSO-UHFFFAOYSA-N 0 0 432.524 5.421 50 0 IKAARN COc1ccc(CN(CC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)C(C)=O)cc1 ZINC000009308155 569521439 /nfs/dbraw/zinc/52/14/39/569521439.db2.gz MZEBJUFDFQQLNJ-SANMLTNESA-N 0 0 444.015 5.905 50 0 IKAARN CC(C)Oc1ccc(CNC(=O)C[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000009307764 569521459 /nfs/dbraw/zinc/52/14/59/569521459.db2.gz KDGFEYANIOMHDO-HHHXNRCGSA-N 0 0 449.566 6.239 50 0 IKAARN FC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc43)nc3ccc(Cl)cn32)c1 ZINC000009308444 569521500 /nfs/dbraw/zinc/52/15/00/569521500.db2.gz QRZKNVYCVOFQPM-UHFFFAOYSA-N 0 0 438.840 6.965 50 0 IKAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009308645 569521509 /nfs/dbraw/zinc/52/15/09/569521509.db2.gz MGLLAYOEPRNALP-PZJWPPBQSA-N 0 0 434.337 5.954 50 0 IKAARN COc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2-c2ccccc2)cc1 ZINC000009308462 569521524 /nfs/dbraw/zinc/52/15/24/569521524.db2.gz BKUBEHBNXAOPFC-UHFFFAOYSA-N 0 0 441.534 7.135 50 0 IKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000009309360 569521565 /nfs/dbraw/zinc/52/15/65/569521565.db2.gz HZEIGGINWWNEEM-UHFFFAOYSA-N 0 0 440.355 6.216 50 0 IKAARN COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)C(C)(C)C)cc1 ZINC000009309003 569521568 /nfs/dbraw/zinc/52/15/68/569521568.db2.gz UKHBDLCVRAPRNL-UHFFFAOYSA-N 0 0 445.972 5.216 50 0 IKAARN CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009308854 569521609 /nfs/dbraw/zinc/52/16/09/569521609.db2.gz JHYBCWOKHOXHLG-UNMCSNQZSA-N 0 0 448.364 6.344 50 0 IKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000009309791 569521634 /nfs/dbraw/zinc/52/16/34/569521634.db2.gz CLGLAHGFJQRIDE-VXKWHMMOSA-N 0 0 448.313 5.193 50 0 IKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000009309789 569521656 /nfs/dbraw/zinc/52/16/56/569521656.db2.gz CLGLAHGFJQRIDE-FCHUYYIVSA-N 0 0 448.313 5.193 50 0 IKAARN CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000009310845 569521756 /nfs/dbraw/zinc/52/17/56/569521756.db2.gz WUEJOYYEXYZXNN-YTMVLYRLSA-N 0 0 440.587 7.196 50 0 IKAARN COc1cc(CN(C(=O)Cc2ccc(-c3ccccc3)cc2)C2CC2)ccc1OC(F)F ZINC000009314477 569522011 /nfs/dbraw/zinc/52/20/11/569522011.db2.gz JUVGDNSHELEBEY-UHFFFAOYSA-N 0 0 437.486 5.697 50 0 IKAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)ccc3C)c3ccccn32)cc1 ZINC000009316597 569522253 /nfs/dbraw/zinc/52/22/53/569522253.db2.gz IEAYUIJBDOMFAQ-UHFFFAOYSA-N 0 0 427.504 5.020 50 0 IKAARN COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(C(C)C)cc2)n2ccccc12 ZINC000009316696 569522307 /nfs/dbraw/zinc/52/23/07/569522307.db2.gz YPZFWKOBDUBVKL-UHFFFAOYSA-N 0 0 427.504 5.137 50 0 IKAARN CCOC(=O)C1=C(C)N=C(NC(=O)c2ccc(Cl)cc2)S[C@H]1c1ccc(Cl)cc1 ZINC000009319358 569522483 /nfs/dbraw/zinc/52/24/83/569522483.db2.gz DVRIMPNGXQHWDD-SFHVURJKSA-N 0 0 449.359 5.404 50 0 IKAARN COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCc2cc(C)on2)c1 ZINC000069873082 569522502 /nfs/dbraw/zinc/52/25/02/569522502.db2.gz GBTWSDKZCNFGRA-QRVIBDJDSA-N 0 0 447.560 5.792 50 0 IKAARN COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3c(F)cccc3F)nc21 ZINC000009326541 569522676 /nfs/dbraw/zinc/52/26/76/569522676.db2.gz CTSBJSPTAHYOEU-UHFFFAOYSA-N 0 0 445.878 5.479 50 0 IKAARN CC1(C)[C@H](C(=O)n2c3ccccc3nc2SCc2ccccc2)[C@H]1C=C(Cl)Cl ZINC000009327373 569522729 /nfs/dbraw/zinc/52/27/29/569522729.db2.gz MYFPQEMJWCZPNS-BEFAXECRSA-N 0 0 431.388 6.560 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccccc3c2=O)cc1OC ZINC000009327643 569522730 /nfs/dbraw/zinc/52/27/30/569522730.db2.gz LHXFCPYDXLMIBH-UHFFFAOYSA-N 0 0 435.863 5.383 50 0 IKAARN COc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)c1 ZINC000009327730 569522734 /nfs/dbraw/zinc/52/27/34/569522734.db2.gz UFIXRKFKXVWABQ-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(Cl)cc2)c1 ZINC000009327731 569522747 /nfs/dbraw/zinc/52/27/47/569522747.db2.gz AQFGTSRCMJSKSG-UHFFFAOYSA-N 0 0 440.282 6.028 50 0 IKAARN COc1ccccc1C(=O)Nc1c(-c2cccc3ccccc32)c(=O)c2ccccc2n1C ZINC000009327895 569522765 /nfs/dbraw/zinc/52/27/65/569522765.db2.gz USXDFZDIQXPBNZ-UHFFFAOYSA-N 0 0 434.495 5.620 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccccc3C)sc3ccccc3c2=O)cc1OC ZINC000009328006 569522783 /nfs/dbraw/zinc/52/27/83/569522783.db2.gz BIEVQUZALLVYCM-UHFFFAOYSA-N 0 0 431.513 5.506 50 0 IKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1C ZINC000009328090 569522789 /nfs/dbraw/zinc/52/27/89/569522789.db2.gz JZXKWELMDGVIFD-UHFFFAOYSA-N 0 0 443.934 5.730 50 0 IKAARN COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)sc3ccccc3c2=O)cc1OC ZINC000009328009 569522800 /nfs/dbraw/zinc/52/28/00/569522800.db2.gz KWCAMGAQOZRCRQ-UHFFFAOYSA-N 0 0 435.476 5.337 50 0 IKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc2cc(OC)ccc2c1 ZINC000009331975 569523073 /nfs/dbraw/zinc/52/30/73/569523073.db2.gz KEMIVPOACQDCTL-UHFFFAOYSA-N 0 0 431.513 6.006 50 0 IKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009336833 569523435 /nfs/dbraw/zinc/52/34/35/569523435.db2.gz KSSAANOUXAHASG-VWLOTQADSA-N 0 0 447.629 5.719 50 0 IKAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3SC[C@H]3CCCO3)s2)cs1 ZINC000009337462 569523540 /nfs/dbraw/zinc/52/35/40/569523540.db2.gz AFRXKIBLCPTXRC-OAHLLOKOSA-N 0 0 430.620 5.381 50 0 IKAARN Cc1csc(N(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)n1 ZINC000009337481 569523587 /nfs/dbraw/zinc/52/35/87/569523587.db2.gz HPTSHKXKEQBEGJ-UHFFFAOYSA-N 0 0 447.589 5.367 50 0 IKAARN O=C(CCCSc1nc2ccccc2[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009338157 569523659 /nfs/dbraw/zinc/52/36/59/569523659.db2.gz VXKOSXFUYVMQIW-MRXNPFEDSA-N 0 0 436.606 5.451 50 0 IKAARN CC(C)N(C(=O)COc1ccc(-c2nnco2)cc1)c1ccc(Nc2ccccc2)cc1 ZINC000009338987 569523705 /nfs/dbraw/zinc/52/37/05/569523705.db2.gz DMITVOLKTVEQHO-UHFFFAOYSA-N 0 0 428.492 5.301 50 0 IKAARN Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000009339113 569523734 /nfs/dbraw/zinc/52/37/34/569523734.db2.gz PDSVGQUIOKMEAN-AREMUKBSSA-N 0 0 439.515 5.637 50 0 IKAARN CN(C)C(=O)Oc1cc(OCc2ccc(F)cc2)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000009341512 569523910 /nfs/dbraw/zinc/52/39/10/569523910.db2.gz ZSMGEMOTHIXFPL-UHFFFAOYSA-N 0 0 433.435 5.239 50 0 IKAARN CC1=C(CC(=O)Nc2ccc(C)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000009341778 569523967 /nfs/dbraw/zinc/52/39/67/569523967.db2.gz VVIANGXMUNAWNB-KBKPQOPKSA-N 0 0 445.559 6.228 50 0 IKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cccc(Cl)c2)cc1 ZINC000009345051 569524087 /nfs/dbraw/zinc/52/40/87/569524087.db2.gz DDHFJQSTOOZLGM-UHFFFAOYSA-N 0 0 434.923 5.585 50 0 IKAARN COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000009344974 569524107 /nfs/dbraw/zinc/52/41/07/569524107.db2.gz IEOBKZPMGMGKFK-UHFFFAOYSA-N 0 0 429.476 5.120 50 0 IKAARN CCc1ccccc1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000009345422 569524151 /nfs/dbraw/zinc/52/41/51/569524151.db2.gz QHALKIRVMFZUFR-UHFFFAOYSA-N 0 0 428.532 5.494 50 0 IKAARN CC(C)Sc1nc2sc3c(c2c2nnc(SCc4ccc(F)cc4)n21)CCCC3 ZINC000009345934 569524165 /nfs/dbraw/zinc/52/41/65/569524165.db2.gz OXQPMXUWPSVLII-UHFFFAOYSA-N 0 0 444.626 6.150 50 0 IKAARN CCc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000009345976 569524183 /nfs/dbraw/zinc/52/41/83/569524183.db2.gz JKXPEMBSIVXDFC-UHFFFAOYSA-N 0 0 428.532 5.494 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccc(Cl)cc1 ZINC000009347233 569524279 /nfs/dbraw/zinc/52/42/79/569524279.db2.gz XTEIMEQDOAOEDA-UHFFFAOYSA-N 0 0 447.947 6.317 50 0 IKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1CCc1ccccc1 ZINC000009347716 569524343 /nfs/dbraw/zinc/52/43/43/569524343.db2.gz IPAUJSYFUGGXLI-QFIPXVFZSA-N 0 0 433.866 5.373 50 0 IKAARN CCCn1c(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s/c1=N\c1ccccc1 ZINC000009348279 569524465 /nfs/dbraw/zinc/52/44/65/569524465.db2.gz SUNITKUYAASQFF-RFBIWTDZSA-N 0 0 447.991 6.765 50 0 IKAARN Cc1cc(CSc2ccccc2C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)no1 ZINC000009349129 569524671 /nfs/dbraw/zinc/52/46/71/569524671.db2.gz HUYWLELQBSAXSW-UHFFFAOYSA-N 0 0 444.940 5.020 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@@H]1CCSc2ccccc21 ZINC000009349258 569524695 /nfs/dbraw/zinc/52/46/95/569524695.db2.gz VNLKZFXHBLFNQT-GOSISDBHSA-N 0 0 449.626 5.804 50 0 IKAARN COc1cc(OC)c(NC(=O)c2ccccc2CSc2nc(C)cc(C)n2)cc1Cl ZINC000009349328 569524719 /nfs/dbraw/zinc/52/47/19/569524719.db2.gz LRMQFVJTKWOBNW-UHFFFAOYSA-N 0 0 443.956 5.309 50 0 IKAARN CCOCc1c2ccccc2oc1C(=O)N(Cc1cccs1)Cc1ccccc1OC ZINC000009349394 569524739 /nfs/dbraw/zinc/52/47/39/569524739.db2.gz PBXKDPHWLROGTR-UHFFFAOYSA-N 0 0 435.545 5.882 50 0 IKAARN CCCOc1ccc(-c2nc3ccccc3c(Nc3ccc(Br)cc3)n2)cc1 ZINC000009353205 569524867 /nfs/dbraw/zinc/52/48/67/569524867.db2.gz COGDRHMHBDFSLP-UHFFFAOYSA-N 0 0 434.337 6.592 50 0 IKAARN c1c2c(sc1-c1nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o1)CCCC2 ZINC000009353528 569524958 /nfs/dbraw/zinc/52/49/58/569524958.db2.gz YEUVKUKRRVDXNK-UHFFFAOYSA-N 0 0 435.578 5.427 50 0 IKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Br)s1 ZINC000009354744 569525079 /nfs/dbraw/zinc/52/50/79/569525079.db2.gz NJHJJOGOIUGEJF-UHFFFAOYSA-N 0 0 434.167 6.193 50 0 IKAARN CCCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009355564 569525235 /nfs/dbraw/zinc/52/52/35/569525235.db2.gz GANIMWIHAAMTEX-VWLOTQADSA-N 0 0 449.381 7.487 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CCc2ccccc2)c1-c1ccccc1 ZINC000009355482 569525236 /nfs/dbraw/zinc/52/52/36/569525236.db2.gz XPRBGFCGWKWPSL-PMERELPUSA-N 0 0 442.562 6.633 50 0 IKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000009355554 569525245 /nfs/dbraw/zinc/52/52/45/569525245.db2.gz BTXVLAIUJIPDLV-LJAQVGFWSA-N 0 0 446.525 6.730 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009355432 569525253 /nfs/dbraw/zinc/52/52/53/569525253.db2.gz FYOSQKPOQONCFE-GDLZYMKVSA-N 0 0 446.525 7.028 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000009355427 569525254 /nfs/dbraw/zinc/52/52/54/569525254.db2.gz BIOUJXNEKJAQPZ-JRPXNJEYSA-N 0 0 442.562 7.450 50 0 IKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)ccc4OC)sc3n2)cc1 ZINC000009358863 569525663 /nfs/dbraw/zinc/52/56/63/569525663.db2.gz IURYWLYCLGACKI-UHFFFAOYSA-N 0 0 439.924 5.468 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3C)cc2c1 ZINC000009360165 569525773 /nfs/dbraw/zinc/52/57/73/569525773.db2.gz FEJZAGSHIRUFLX-UHFFFAOYSA-N 0 0 438.571 6.289 50 0 IKAARN CCOc1ccc2nc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)sc2c1 ZINC000009363734 569525927 /nfs/dbraw/zinc/52/59/27/569525927.db2.gz MVQXNQWMQRHPGR-UHFFFAOYSA-N 0 0 425.513 6.163 50 0 IKAARN Cc1ccc(NC(=O)c2ccc(Nc3nc4ccc(C)cc4c(-c4ccccc4)n3)cc2)cc1 ZINC000009363888 569525928 /nfs/dbraw/zinc/52/59/28/569525928.db2.gz ZUHCVIZTHQQUKD-UHFFFAOYSA-N 0 0 444.538 6.910 50 0 IKAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc43)s2)c1C ZINC000009364930 569526057 /nfs/dbraw/zinc/52/60/57/569526057.db2.gz DOHRQHSGYCVCSN-UHFFFAOYSA-N 0 0 448.573 5.291 50 0 IKAARN COc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000009366625 569526249 /nfs/dbraw/zinc/52/62/49/569526249.db2.gz UMHROGCMWXQJOT-UHFFFAOYSA-N 0 0 425.457 5.110 50 0 IKAARN CCOc1ccc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000009366781 569526254 /nfs/dbraw/zinc/52/62/54/569526254.db2.gz KQOHDJPBBYPPOS-UHFFFAOYSA-N 0 0 439.484 5.500 50 0 IKAARN COc1ccccc1C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 ZINC000009366618 569526260 /nfs/dbraw/zinc/52/62/60/569526260.db2.gz VLPYMMJCHIMHCB-UHFFFAOYSA-N 0 0 425.457 5.110 50 0 IKAARN Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3C[C@@H]3CCCO3)cn2c1 ZINC000009367165 569526394 /nfs/dbraw/zinc/52/63/94/569526394.db2.gz OGYIZIJDOFXTQG-IBGZPJMESA-N 0 0 439.972 5.026 50 0 IKAARN CCCCSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000009369049 569526653 /nfs/dbraw/zinc/52/66/53/569526653.db2.gz SYJVVRLJXYECGD-UHFFFAOYSA-N 0 0 449.407 5.325 50 0 IKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1 ZINC000009369280 569526698 /nfs/dbraw/zinc/52/66/98/569526698.db2.gz ZVKDPNZMTLQRQI-UHFFFAOYSA-N 0 0 435.574 5.747 50 0 IKAARN CCCC[C@@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000009369617 569526701 /nfs/dbraw/zinc/52/67/01/569526701.db2.gz PTXCWZMHSFJQOQ-RUZDIDTESA-N 0 0 448.607 6.061 50 0 IKAARN Cc1ccc2nc(Nc3cccc(C(=O)Nc4ccc(O)cc4)c3)nc(-c3ccccc3)c2c1 ZINC000009369239 569526726 /nfs/dbraw/zinc/52/67/26/569526726.db2.gz VOFKISXHJMUFPB-UHFFFAOYSA-N 0 0 446.510 6.307 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1 ZINC000009369284 569526753 /nfs/dbraw/zinc/52/67/53/569526753.db2.gz JDBXLNHSGHEPMA-UHFFFAOYSA-N 0 0 433.602 6.355 50 0 IKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ncc(Cl)cc2Cl)n1)CCCC3 ZINC000009373416 569527010 /nfs/dbraw/zinc/52/70/10/569527010.db2.gz WDTYKGNSXAMSAD-UHFFFAOYSA-N 0 0 439.393 5.311 50 0 IKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000009374449 569527143 /nfs/dbraw/zinc/52/71/43/569527143.db2.gz FDYSZUQDISYRGY-NRFANRHFSA-N 0 0 443.446 7.643 50 0 IKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1Cl ZINC000009375597 569527220 /nfs/dbraw/zinc/52/72/20/569527220.db2.gz NBKUYMBLGMZWGN-UHFFFAOYSA-N 0 0 437.952 6.231 50 0 IKAARN Cc1ccc([C@H](O)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000009375498 569527235 /nfs/dbraw/zinc/52/72/35/569527235.db2.gz YWKQZWIISXPLLT-QFMXIAIUSA-N 0 0 443.568 6.133 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000009376277 569527317 /nfs/dbraw/zinc/52/73/17/569527317.db2.gz ICYSCNZEKZBEDV-UHFFFAOYSA-N 0 0 426.545 5.689 50 0 IKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCSc1ccccc1 ZINC000009377245 569527474 /nfs/dbraw/zinc/52/74/74/569527474.db2.gz FPVIOHSKVVQGSY-UHFFFAOYSA-N 0 0 443.572 5.129 50 0 IKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1-c1ccccc1 ZINC000009377448 569527494 /nfs/dbraw/zinc/52/74/94/569527494.db2.gz JEMIAAMKDZWEFM-UHFFFAOYSA-N 0 0 431.923 6.109 50 0 IKAARN C[C@@H](c1nnc(SCc2cc3ccccc3nc2Cl)n1-c1ccc(F)cc1)N(C)C ZINC000009377654 569527524 /nfs/dbraw/zinc/52/75/24/569527524.db2.gz GVYILOQUJFWCPM-AWEZNQCLSA-N 0 0 441.963 5.523 50 0 IKAARN C[C@H](c1nnc(SCc2cc3ccccc3nc2Cl)n1-c1ccc(F)cc1)N(C)C ZINC000009377655 569527540 /nfs/dbraw/zinc/52/75/40/569527540.db2.gz GVYILOQUJFWCPM-CQSZACIVSA-N 0 0 441.963 5.523 50 0 IKAARN Cc1cccc(-n2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C(F)(F)F)c1 ZINC000009377921 569527600 /nfs/dbraw/zinc/52/76/00/569527600.db2.gz RRYAPRDUSQASQR-UHFFFAOYSA-N 0 0 429.320 5.350 50 0 IKAARN O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccccc1Oc1ccccc1 ZINC000009379036 569527700 /nfs/dbraw/zinc/52/77/00/569527700.db2.gz GSLPROVHKWFGMM-UHFFFAOYSA-N 0 0 441.487 5.053 50 0 IKAARN COc1cccc2c1OC1(CCC(C(C)(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000009379893 569527760 /nfs/dbraw/zinc/52/77/60/569527760.db2.gz LGTRJSDIFMJKMV-SOIRFNPCSA-N 0 0 438.999 6.825 50 0 IKAARN COc1cccc2c1OC1(CCC(C(C)(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000009379892 569527775 /nfs/dbraw/zinc/52/77/75/569527775.db2.gz LGTRJSDIFMJKMV-ITRMUVNCSA-N 0 0 438.999 6.825 50 0 IKAARN CCOc1cccc2sc(N3CCN(c4nc5c(cccc5OCC)s4)CC3)nc21 ZINC000009381979 569528147 /nfs/dbraw/zinc/52/81/47/569528147.db2.gz CNYICGOREXPAPM-UHFFFAOYSA-N 0 0 440.594 5.030 50 0 IKAARN CCOc1ccc2nc(N3CCN(c4nc5ccc(OCC)cc5s4)CC3)sc2c1 ZINC000009381983 569528185 /nfs/dbraw/zinc/52/81/85/569528185.db2.gz DLIASRPQVIFNIC-UHFFFAOYSA-N 0 0 440.594 5.030 50 0 IKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Br)cc1 ZINC000009382419 569528293 /nfs/dbraw/zinc/52/82/93/569528293.db2.gz MHFOPWTYOVWZHE-SFHVURJKSA-N 0 0 446.348 5.368 50 0 IKAARN CC[C@@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(Cl)c1 ZINC000009382903 569528346 /nfs/dbraw/zinc/52/83/46/569528346.db2.gz RXIQPRGEBDUGCM-CYBMUJFWSA-N 0 0 430.986 5.236 50 0 IKAARN CC[C@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccccc5)o4)n3C)cc2C1 ZINC000009385042 569528372 /nfs/dbraw/zinc/52/83/72/569528372.db2.gz SCLCDXCDDDITGM-AWEZNQCLSA-N 0 0 437.594 5.401 50 0 IKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009385503 569528406 /nfs/dbraw/zinc/52/84/06/569528406.db2.gz QJXJKXZHZFCWMY-UHFFFAOYSA-N 0 0 446.942 5.071 50 0 IKAARN CC[C@@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccccc5)o4)n3C)cc2C1 ZINC000009385040 569528419 /nfs/dbraw/zinc/52/84/19/569528419.db2.gz SCLCDXCDDDITGM-CQSZACIVSA-N 0 0 437.594 5.401 50 0 IKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000009387228 569528480 /nfs/dbraw/zinc/52/84/80/569528480.db2.gz AHGBLNJJTKHDIU-LEWJYISDSA-N 0 0 430.548 5.511 50 0 IKAARN Cc1cc(C)cc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000009391143 569528890 /nfs/dbraw/zinc/52/88/90/569528890.db2.gz WVSRSJUBIQTIQR-NRFANRHFSA-N 0 0 430.404 6.214 50 0 IKAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1Br ZINC000009391578 569528914 /nfs/dbraw/zinc/52/89/14/569528914.db2.gz FZCXNBQDFDLSGS-UHFFFAOYSA-N 0 0 434.746 5.287 50 0 IKAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1cccc(F)c1)CC2 ZINC000009391361 569528939 /nfs/dbraw/zinc/52/89/39/569528939.db2.gz QTZMKDWAYQLITP-XMMPIXPASA-N 0 0 449.522 5.278 50 0 IKAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2C)cc1 ZINC000009391310 569528947 /nfs/dbraw/zinc/52/89/47/569528947.db2.gz GTAZRXPDQHXRSW-RUZDIDTESA-N 0 0 445.559 5.393 50 0 IKAARN O=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)N1CCCC1 ZINC000009391708 569528969 /nfs/dbraw/zinc/52/89/69/569528969.db2.gz NBESUIRZTMIDGM-UHFFFAOYSA-N 0 0 429.383 5.167 50 0 IKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)cc1C ZINC000009391619 569528991 /nfs/dbraw/zinc/52/89/91/569528991.db2.gz PQSIJHRMFPLYKU-UHFFFAOYSA-N 0 0 428.355 5.251 50 0 IKAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000009391686 569529002 /nfs/dbraw/zinc/52/90/02/569529002.db2.gz MTJCDALOMAXSNE-UHFFFAOYSA-N 0 0 430.529 5.192 50 0 IKAARN Cc1ccc(CSc2cn(CCNC(=O)c3cc(C)cc(C)c3)c3ccccc23)cc1 ZINC000009391914 569529016 /nfs/dbraw/zinc/52/90/16/569529016.db2.gz UXOVLQHKVAYGHW-UHFFFAOYSA-N 0 0 428.601 6.289 50 0 IKAARN Cc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccccc3)c3ccccc32)cc1 ZINC000009391865 569529032 /nfs/dbraw/zinc/52/90/32/569529032.db2.gz ILIZXNPKFFHASO-UHFFFAOYSA-N 0 0 443.572 5.111 50 0 IKAARN O=C(NCCn1cc(SCc2c(F)cccc2Cl)c2ccccc21)c1ccccc1 ZINC000009391812 569529038 /nfs/dbraw/zinc/52/90/38/569529038.db2.gz HUUGUWJMFMCKNU-UHFFFAOYSA-N 0 0 438.955 6.156 50 0 IKAARN Cc1ccccc1C(=O)NCCn1cc(SCc2ccc(Cl)cc2)c2ccccc21 ZINC000009391836 569529047 /nfs/dbraw/zinc/52/90/47/569529047.db2.gz LJEBDIJURNFLDC-UHFFFAOYSA-N 0 0 434.992 6.325 50 0 IKAARN Cc1cc(C)cc(C(=O)NCCn2cc(SCc3ccc(Cl)cc3)c3ccccc32)c1 ZINC000009391915 569529051 /nfs/dbraw/zinc/52/90/51/569529051.db2.gz MORMOVBPQNWPNA-UHFFFAOYSA-N 0 0 449.019 6.634 50 0 IKAARN CCCCc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000009394396 569529156 /nfs/dbraw/zinc/52/91/56/569529156.db2.gz PRZWUWIUTDOUDE-UHFFFAOYSA-N 0 0 442.628 7.071 50 0 IKAARN COc1cccc2c1O[C@H](c1ccc(C(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000009397008 569529227 /nfs/dbraw/zinc/52/92/27/569529227.db2.gz MASKWKLWSWQJQG-JYFHCDHNSA-N 0 0 432.951 6.714 50 0 IKAARN CCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009397251 569529282 /nfs/dbraw/zinc/52/92/82/569529282.db2.gz LUEVWYISICJEBT-IGKIAQTJSA-N 0 0 428.532 6.116 50 0 IKAARN CCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000009397249 569529315 /nfs/dbraw/zinc/52/93/15/569529315.db2.gz LUEVWYISICJEBT-RPLLCQBOSA-N 0 0 428.532 6.116 50 0 IKAARN COc1ccccc1Oc1ccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1 ZINC000070037837 569529341 /nfs/dbraw/zinc/52/93/41/569529341.db2.gz CHOBQTHWPSYLFI-JOCHJYFZSA-N 0 0 433.508 5.096 50 0 IKAARN Cc1ccc(Sc2ccc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)cc1C ZINC000070040695 569529434 /nfs/dbraw/zinc/52/94/34/569529434.db2.gz ZYNQJIUVFWPTBK-UHFFFAOYSA-N 0 0 441.556 5.317 50 0 IKAARN COc1ccc([C@H]2NC(=S)N=C(c3cccc(Cl)c3)C2c2nc3ccccc3[nH]2)cc1 ZINC000009402787 569529444 /nfs/dbraw/zinc/52/94/44/569529444.db2.gz WVGJKKHEIFMPHR-OAQYLSRUSA-N 0 0 446.963 5.312 50 0 IKAARN CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000009401961 569529445 /nfs/dbraw/zinc/52/94/45/569529445.db2.gz VZCXAZOOZGLAEQ-UHFFFAOYSA-N 0 0 430.558 5.710 50 0 IKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000009403943 569529526 /nfs/dbraw/zinc/52/95/26/569529526.db2.gz FPXBQDKPYVBWFU-UHFFFAOYSA-N 0 0 435.552 6.519 50 0 IKAARN Cc1c(NC(=O)Cc2ccc(Br)cc2)cccc1-c1nc2cccnc2s1 ZINC000009403949 569529579 /nfs/dbraw/zinc/52/95/79/569529579.db2.gz IFIGVMLRHKHSJA-UHFFFAOYSA-N 0 0 438.350 5.610 50 0 IKAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1S(=O)(=O)c1ccc(C)cc1 ZINC000009404349 569529666 /nfs/dbraw/zinc/52/96/66/569529666.db2.gz ACLQNVLCZDOYTJ-JOCHJYFZSA-N 0 0 440.952 5.197 50 0 IKAARN O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1cccc(Cl)c1 ZINC000009404436 569529670 /nfs/dbraw/zinc/52/96/70/569529670.db2.gz SXXVZQGYRCTEDI-UHFFFAOYSA-N 0 0 447.947 6.317 50 0 IKAARN COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000009404649 569529703 /nfs/dbraw/zinc/52/97/03/569529703.db2.gz ZPXRDRBSULNNIX-UHFFFAOYSA-N 0 0 442.496 5.080 50 0 IKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1sc2ccccc2c1Cl ZINC000009404698 569529715 /nfs/dbraw/zinc/52/97/15/569529715.db2.gz FNRWIHOODOFVNP-UHFFFAOYSA-N 0 0 427.963 6.540 50 0 IKAARN Cc1ccc(-c2cn3c4ccc(C(=O)NCCc5ccc(Cl)cc5)cc4sc3n2)cc1 ZINC000009406346 569530029 /nfs/dbraw/zinc/53/00/29/569530029.db2.gz QTWOVFVCHQSPOS-UHFFFAOYSA-N 0 0 445.975 6.150 50 0 IKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000009406539 569530067 /nfs/dbraw/zinc/53/00/67/569530067.db2.gz RCLZPHWROSWNJQ-GOSISDBHSA-N 0 0 425.557 5.967 50 0 IKAARN COc1cccc(-c2cn3c4ccc(C(=O)NCc5ccccc5OC)cc4sc3n2)c1 ZINC000009406513 569530078 /nfs/dbraw/zinc/53/00/78/569530078.db2.gz LUDUGXXREHOUJH-UHFFFAOYSA-N 0 0 443.528 5.163 50 0 IKAARN COc1cccc(-c2cn3c4ccc(C(=O)NCc5cccc(Cl)c5)cc4sc3n2)c1 ZINC000009406506 569530080 /nfs/dbraw/zinc/53/00/80/569530080.db2.gz HYHOSYVKKINRMK-UHFFFAOYSA-N 0 0 447.947 5.808 50 0 IKAARN COc1ccc(-c2cn3c4ccc(C(=O)NCc5cccc(C)c5)cc4sc3n2)cc1 ZINC000009406454 569530086 /nfs/dbraw/zinc/53/00/86/569530086.db2.gz VJLXBGNIBOABBB-UHFFFAOYSA-N 0 0 427.529 5.463 50 0 IKAARN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406566 569530090 /nfs/dbraw/zinc/53/00/90/569530090.db2.gz YFNVAWXNIHKBAV-UHFFFAOYSA-N 0 0 435.911 5.939 50 0 IKAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccc5F)cc4sc3n2)cc1 ZINC000009406489 569530097 /nfs/dbraw/zinc/53/00/97/569530097.db2.gz AOZPCKGBSAMOAQ-UHFFFAOYSA-N 0 0 429.520 5.848 50 0 IKAARN CCOc1ccc(-c2cn3c4ccc(C(=O)N5C[C@H](C)C[C@@H](C)C5)cc4sc3n2)cc1 ZINC000009406610 569530122 /nfs/dbraw/zinc/53/01/22/569530122.db2.gz UIKIAROBMHSAEL-IAGOWNOFSA-N 0 0 433.577 5.733 50 0 IKAARN CCOc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@@H](C)[C@@H]5C)cc4sc3n2)cc1 ZINC000009406627 569530152 /nfs/dbraw/zinc/53/01/52/569530152.db2.gz RPPDCAROKWWADW-LLGFUMIMSA-N 0 0 447.604 6.169 50 0 IKAARN CC(C)c1ccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1 ZINC000009407684 569530266 /nfs/dbraw/zinc/53/02/66/569530266.db2.gz RGFAVJFXHLEQSW-UHFFFAOYSA-N 0 0 431.966 5.732 50 0 IKAARN CCOc1ccccc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000009407681 569530273 /nfs/dbraw/zinc/53/02/73/569530273.db2.gz AGHKKXSVIUXOIA-UHFFFAOYSA-N 0 0 433.938 5.007 50 0 IKAARN Cc1ccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c(Cl)c1 ZINC000009407713 569530275 /nfs/dbraw/zinc/53/02/75/569530275.db2.gz CSQGXVVMOCWLED-UHFFFAOYSA-N 0 0 438.357 5.570 50 0 IKAARN CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1C ZINC000009407692 569530293 /nfs/dbraw/zinc/53/02/93/569530293.db2.gz RCBGSWCUCAKCHH-UHFFFAOYSA-N 0 0 445.993 5.721 50 0 IKAARN CCOc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)cc1 ZINC000009407991 569530425 /nfs/dbraw/zinc/53/04/25/569530425.db2.gz QNBIIUXKXWCFLY-UHFFFAOYSA-N 0 0 442.563 5.624 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NC[C@@H](C)c3ccccc3)c(C)c12 ZINC000009408007 569530428 /nfs/dbraw/zinc/53/04/28/569530428.db2.gz RYGBYRNGFYLHQZ-LJQANCHMSA-N 0 0 440.591 5.507 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc(F)cc3F)c(C)c12 ZINC000009407985 569530433 /nfs/dbraw/zinc/53/04/33/569530433.db2.gz IAHTUMLIZGXTKG-UHFFFAOYSA-N 0 0 434.490 5.504 50 0 IKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NC[C@H](C)c3ccccc3)c(C)c12 ZINC000009408008 569530442 /nfs/dbraw/zinc/53/04/42/569530442.db2.gz RYGBYRNGFYLHQZ-IBGZPJMESA-N 0 0 440.591 5.507 50 0 IKAARN CSc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)c1 ZINC000009408001 569530446 /nfs/dbraw/zinc/53/04/46/569530446.db2.gz ZYWGMCIMKFQESM-UHFFFAOYSA-N 0 0 444.604 5.947 50 0 IKAARN CCc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)cc1 ZINC000009408494 569530579 /nfs/dbraw/zinc/53/05/79/569530579.db2.gz JGXOXPLHJMSRTC-UHFFFAOYSA-N 0 0 440.591 6.096 50 0 IKAARN CCc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)c1 ZINC000009408511 569530583 /nfs/dbraw/zinc/53/05/83/569530583.db2.gz LHACDTRSJSSVGP-UHFFFAOYSA-N 0 0 440.591 6.096 50 0 IKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)Nc3ccc(F)cc3F)c(C)c12 ZINC000009408492 569530591 /nfs/dbraw/zinc/53/05/91/569530591.db2.gz SRUWXNTVTFMFEM-UHFFFAOYSA-N 0 0 448.517 5.812 50 0 IKAARN Cc1ccc(Cl)cc1N(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408776 569530626 /nfs/dbraw/zinc/53/06/26/569530626.db2.gz LOOWZAKOMLBWFF-JOCHJYFZSA-N 0 0 449.403 5.458 50 0 IKAARN Cc1nc2nc(-c3ccc(Cl)cc3Cl)nn2c(C)c1CCC(=O)NC1CCCCC1 ZINC000009408601 569530643 /nfs/dbraw/zinc/53/06/43/569530643.db2.gz OTTPLWHHNACHPH-UHFFFAOYSA-N 0 0 446.382 5.096 50 0 IKAARN CC(C)n1c2ccccc2c2nnc(SCCCC(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000009408836 569530693 /nfs/dbraw/zinc/53/06/93/569530693.db2.gz MZCDBXCIOQIQEU-UHFFFAOYSA-N 0 0 448.548 5.087 50 0 IKAARN Cc1cc(OCC(=O)Oc2cc3sc(=O)oc3c(-c3ccccc3)c2)ccc1Cl ZINC000009408841 569530714 /nfs/dbraw/zinc/53/07/14/569530714.db2.gz CHOSAUNJAFCYES-UHFFFAOYSA-N 0 0 426.877 5.468 50 0 IKAARN Cc1cccc(C)c1N(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408782 569530726 /nfs/dbraw/zinc/53/07/26/569530726.db2.gz RULFEJKLQDSZJQ-JOCHJYFZSA-N 0 0 428.985 5.113 50 0 IKAARN CCCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 ZINC000009409243 569530860 /nfs/dbraw/zinc/53/08/60/569530860.db2.gz YYDHBFYOJRUPGF-RUZDIDTESA-N 0 0 433.552 5.697 50 0 IKAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000009409136 569530910 /nfs/dbraw/zinc/53/09/10/569530910.db2.gz VRPKPEVLKRSJTJ-VWLOTQADSA-N 0 0 433.552 5.266 50 0 IKAARN CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OCC ZINC000009409238 569530918 /nfs/dbraw/zinc/53/09/18/569530918.db2.gz YPLCIHOKNSKPJK-VWLOTQADSA-N 0 0 449.551 5.315 50 0 IKAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009409108 569530922 /nfs/dbraw/zinc/53/09/22/569530922.db2.gz IWMYWKLDQZIAKA-VWLOTQADSA-N 0 0 447.579 5.440 50 0 IKAARN CCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 ZINC000009409259 569530967 /nfs/dbraw/zinc/53/09/67/569530967.db2.gz XWOSZTWEQGYXLG-RUZDIDTESA-N 0 0 433.552 5.697 50 0 IKAARN CCCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)c1 ZINC000009409262 569530972 /nfs/dbraw/zinc/53/09/72/569530972.db2.gz OQNZMBUWYSZQCM-VWLOTQADSA-N 0 0 433.552 5.697 50 0 IKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000009409264 569530985 /nfs/dbraw/zinc/53/09/85/569530985.db2.gz YCZVIVXSIWFFNP-VWLOTQADSA-N 0 0 433.552 5.553 50 0 IKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCCC)c(OCC)c1 ZINC000009409267 569530997 /nfs/dbraw/zinc/53/09/97/569530997.db2.gz DMXBBEZVURHASH-RUZDIDTESA-N 0 0 449.551 5.315 50 0 IKAARN CCCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 ZINC000009409276 569531019 /nfs/dbraw/zinc/53/10/19/569531019.db2.gz 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Cc1c(C)n(Cc2ccco2)c(NC(=O)c2ccccc2F)c1-c1nc2ccccc2[nH]1 ZINC000009410895 569531436 /nfs/dbraw/zinc/53/14/36/569531436.db2.gz PXCHGVMKNITVLM-UHFFFAOYSA-N 0 0 428.467 5.681 50 0 IKAARN COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 ZINC000009410811 569531471 /nfs/dbraw/zinc/53/14/71/569531471.db2.gz QEKUWTNELUJBEL-UHFFFAOYSA-N 0 0 444.487 5.557 50 0 IKAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2C)cc1 ZINC000009411308 569531518 /nfs/dbraw/zinc/53/15/18/569531518.db2.gz CDOINBIYEKVHCV-UHFFFAOYSA-N 0 0 426.516 5.391 50 0 IKAARN CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000009412468 569531615 /nfs/dbraw/zinc/53/16/15/569531615.db2.gz VCWBSSYKXCDGFV-IRXDYDNUSA-N 0 0 445.654 5.110 50 0 IKAARN Clc1ccc2nc(N3N=C(c4ccco4)C[C@@H]3c3ccco3)nc(-c3ccccc3)c2c1 ZINC000009412027 569531619 /nfs/dbraw/zinc/53/16/19/569531619.db2.gz RRVNKTFWLQBIOT-OAQYLSRUSA-N 0 0 440.890 6.492 50 0 IKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)CC1 ZINC000009413425 569531743 /nfs/dbraw/zinc/53/17/43/569531743.db2.gz YJFUMOKBKNJOIJ-KUHNRFIWSA-N 0 0 434.005 5.223 50 0 IKAARN O=C1Cc2cc(-c3csc(N4N=C(c5cccs5)C[C@@H]4c4ccco4)n3)ccc2N1 ZINC000009413511 569531793 /nfs/dbraw/zinc/53/17/93/569531793.db2.gz STDYRIOQNUKDME-GOSISDBHSA-N 0 0 432.530 5.315 50 0 IKAARN CC[C@H](C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1OC)c1ccccc1 ZINC000009413704 569531826 /nfs/dbraw/zinc/53/18/26/569531826.db2.gz PUQOWDFOYRRNJT-SFHVURJKSA-N 0 0 428.488 5.826 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3ccccc3c2)cc1 ZINC000009413828 569531857 /nfs/dbraw/zinc/53/18/57/569531857.db2.gz HZLQMZXKVPHANR-UHFFFAOYSA-N 0 0 436.467 6.099 50 0 IKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc3ccccc32)cc1 ZINC000009413825 569531869 /nfs/dbraw/zinc/53/18/69/569531869.db2.gz MYPQTTYUUISDEA-UHFFFAOYSA-N 0 0 436.467 6.099 50 0 IKAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000009413810 569531893 /nfs/dbraw/zinc/53/18/93/569531893.db2.gz GATRECDTUODBPU-SANMLTNESA-N 0 0 430.504 5.130 50 0 IKAARN CC[C@@H](c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C ZINC000009414247 569531945 /nfs/dbraw/zinc/53/19/45/569531945.db2.gz ABECTXRKMAEFIA-VGSWGCGISA-N 0 0 447.608 5.184 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)cc1 ZINC000009414092 569531958 /nfs/dbraw/zinc/53/19/58/569531958.db2.gz SMANAQJQVVCZDZ-UHFFFAOYSA-N 0 0 428.488 5.655 50 0 IKAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000009414381 569532007 /nfs/dbraw/zinc/53/20/07/569532007.db2.gz ZKFBTIGLYKIEDV-UHFFFAOYSA-N 0 0 441.480 5.058 50 0 IKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)o2)cc1 ZINC000009414325 569532032 /nfs/dbraw/zinc/53/20/32/569532032.db2.gz VPHFETKFAKWUEE-UHFFFAOYSA-N 0 0 439.265 5.601 50 0 IKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009415027 569532119 /nfs/dbraw/zinc/53/21/19/569532119.db2.gz WESPTMHTYZSJPM-UHFFFAOYSA-N 0 0 425.872 5.003 50 0 IKAARN Cn1c2ccccc2c(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1-c1ccccc1 ZINC000009415115 569532138 /nfs/dbraw/zinc/53/21/38/569532138.db2.gz VUOXVQCAGQICHT-UHFFFAOYSA-N 0 0 428.561 5.624 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000009415791 569532218 /nfs/dbraw/zinc/53/22/18/569532218.db2.gz PSLNYPCZQYYANS-QGZVFWFLSA-N 0 0 444.560 5.194 50 0 IKAARN Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009416535 569532331 /nfs/dbraw/zinc/53/23/31/569532331.db2.gz YKXFYRCUVARAQD-UHFFFAOYSA-N 0 0 444.644 6.568 50 0 IKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000009416493 569532347 /nfs/dbraw/zinc/53/23/47/569532347.db2.gz HCAMQWVYAQYVKQ-UHFFFAOYSA-N 0 0 430.617 6.260 50 0 IKAARN CC[C@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009416613 569532405 /nfs/dbraw/zinc/53/24/05/569532405.db2.gz IQXPLZONHVXUPH-LBPRGKRZSA-N 0 0 425.934 5.858 50 0 IKAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000009419262 569532553 /nfs/dbraw/zinc/53/25/53/569532553.db2.gz REAXHPAIMAKVGM-UHFFFAOYSA-N 0 0 438.325 5.400 50 0 IKAARN Nc1c2cc(C(=O)c3cccs3)c(C(F)(F)F)nc2sc1C(=O)c1ccccc1 ZINC000009420411 569532632 /nfs/dbraw/zinc/53/26/32/569532632.db2.gz CQGDGQRFKQEXIL-UHFFFAOYSA-N 0 0 432.448 5.421 50 0 IKAARN CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009420802 569532732 /nfs/dbraw/zinc/53/27/32/569532732.db2.gz ZMCXFDTYDZDCFP-JOCHJYFZSA-N 0 0 428.517 5.004 50 0 IKAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cc(C)ccc3C)cc2oc1=O ZINC000009424501 569533045 /nfs/dbraw/zinc/53/30/45/569533045.db2.gz YQHZBRLDQBDCNE-UHFFFAOYSA-N 0 0 428.912 5.446 50 0 IKAARN Cc1ccc(N(C(=O)c2ccccc2F)C2(C(=O)Nc3c(C)cccc3C)CCCC2)cc1 ZINC000009425454 569533224 /nfs/dbraw/zinc/53/32/24/569533224.db2.gz KGUVYHCSYJACLD-UHFFFAOYSA-N 0 0 444.550 6.349 50 0 IKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(Br)cc1 ZINC000009425539 569533231 /nfs/dbraw/zinc/53/32/31/569533231.db2.gz COZABWHSXRETKV-UHFFFAOYSA-N 0 0 441.712 6.471 50 0 IKAARN Cc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c(C)c1 ZINC000009425751 569533239 /nfs/dbraw/zinc/53/32/39/569533239.db2.gz DKZJACXEOMMXKP-AREMUKBSSA-N 0 0 433.935 5.273 50 0 IKAARN CCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000009426283 569533249 /nfs/dbraw/zinc/53/32/49/569533249.db2.gz KSPHOBRIEPBBCA-XMMPIXPASA-N 0 0 445.360 6.553 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)cc1 ZINC000009427458 569533375 /nfs/dbraw/zinc/53/33/75/569533375.db2.gz QFCMGCZSIFOTLP-UHFFFAOYSA-N 0 0 426.516 5.309 50 0 IKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2)cc1OC ZINC000009427673 569533401 /nfs/dbraw/zinc/53/34/01/569533401.db2.gz AIGLBCNORAMSQV-UHFFFAOYSA-N 0 0 442.515 5.009 50 0 IKAARN CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4Cl)c(N)c3cc2C1 ZINC000009428344 569533537 /nfs/dbraw/zinc/53/35/37/569533537.db2.gz SFSBSGUSHSMQDM-GFCCVEGCSA-N 0 0 448.419 6.589 50 0 IKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3ccc(C)c(C)c3)cc2c1 ZINC000009428510 569533570 /nfs/dbraw/zinc/53/35/70/569533570.db2.gz WSUVUVRAMJVVMK-UHFFFAOYSA-N 0 0 430.935 5.954 50 0 IKAARN Cc1ccc(NCc2ccc(N3N=C(c4ccccc4)C(C)(C)[C@@H]3c3ccccc3)cc2)cc1 ZINC000009428741 569533624 /nfs/dbraw/zinc/53/36/24/569533624.db2.gz VWTVAEFCSNNANY-PMERELPUSA-N 0 0 445.610 7.599 50 0 IKAARN CCOc1ccc(-c2cc(OC(=O)COc3ccc(F)cc3)cc3sc(=O)oc32)cc1 ZINC000009430721 569533944 /nfs/dbraw/zinc/53/39/44/569533944.db2.gz SKJSKPNHRJFVAC-UHFFFAOYSA-N 0 0 440.448 5.044 50 0 IKAARN COc1cccc(-c2cc(OC(=O)COc3cccc(C)c3C)cc3sc(=O)oc32)c1 ZINC000009430786 569533976 /nfs/dbraw/zinc/53/39/76/569533976.db2.gz JSKHKUPQPRWOLG-UHFFFAOYSA-N 0 0 436.485 5.131 50 0 IKAARN COc1cccc(-c2cc(OC(=O)COc3ccc(C)c(C)c3)cc3sc(=O)oc32)c1 ZINC000009430784 569533995 /nfs/dbraw/zinc/53/39/95/569533995.db2.gz WHHKYXXUIOAXEL-UHFFFAOYSA-N 0 0 436.485 5.131 50 0 IKAARN Cc1ccc2c(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)coc2c1 ZINC000009430922 569534041 /nfs/dbraw/zinc/53/40/41/569534041.db2.gz DMUBDJZFTBJERG-UHFFFAOYSA-N 0 0 448.544 5.386 50 0 IKAARN CCC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccc(OC)cc4)no3)c(=O)oc21 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COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000009434960 569534733 /nfs/dbraw/zinc/53/47/33/569534733.db2.gz JZNVSVXPOCVPJU-KQWNVCNZSA-N 0 0 443.499 5.114 50 0 IKAARN O=C1c2ccccc2[C@H](Nc2ccc(OCc3ccccc3)cc2)N1CCc1ccccc1 ZINC000009434821 569534765 /nfs/dbraw/zinc/53/47/65/569534765.db2.gz MZDNPENZHRYPOZ-MUUNZHRXSA-N 0 0 434.539 6.075 50 0 IKAARN Clc1ccccc1-n1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 ZINC000009435237 569534812 /nfs/dbraw/zinc/53/48/12/569534812.db2.gz HGXSOSBNMKKXPO-UHFFFAOYSA-N 0 0 435.712 6.052 50 0 IKAARN COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000009438935 569535022 /nfs/dbraw/zinc/53/50/22/569535022.db2.gz TXBWLDLTTIQQRA-UHFFFAOYSA-N 0 0 446.890 5.359 50 0 IKAARN COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000009441976 569535417 /nfs/dbraw/zinc/53/54/17/569535417.db2.gz MRNIDYOQWJRROP-UHFFFAOYSA-N 0 0 426.472 5.014 50 0 IKAARN COc1ccc(-c2nc(CSc3nncn4c5cc(C)oc5cc34)c(C)o2)cc1OC ZINC000009442644 569535607 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Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009462677 569537269 /nfs/dbraw/zinc/53/72/69/569537269.db2.gz QJFWQIYJALARHV-UHFFFAOYSA-N 0 0 434.540 5.242 50 0 IKAARN CCCCCn1nc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2c1=O ZINC000009463379 569537400 /nfs/dbraw/zinc/53/74/00/569537400.db2.gz MHDDFSZPQDRADC-FQEVSTJZSA-N 0 0 446.576 5.174 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1C ZINC000009463333 569537424 /nfs/dbraw/zinc/53/74/24/569537424.db2.gz DJUYGEMQUNXZHT-IBGZPJMESA-N 0 0 433.939 5.531 50 0 IKAARN Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1NC(=O)c1ccco1 ZINC000009463387 569537483 /nfs/dbraw/zinc/53/74/83/569537483.db2.gz DOHWFHAAQUEEDI-JOCHJYFZSA-N 0 0 448.569 5.751 50 0 IKAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009463770 569537536 /nfs/dbraw/zinc/53/75/36/569537536.db2.gz YXYCLRDQNZHQKU-SUMWQHHRSA-N 0 0 431.483 5.323 50 0 IKAARN C[C@H](NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)o1)c1ccc(Cl)cc1Cl ZINC000009464532 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CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)s2)cc1 ZINC000009508586 569542331 /nfs/dbraw/zinc/54/23/31/569542331.db2.gz LVQWVZKQRXMQPZ-AWEZNQCLSA-N 0 0 426.567 5.166 50 0 IKAARN COc1ccc(CC(=O)N(c2nc3ccccc3s2)c2cccc(Cl)c2)cc1OC ZINC000009508855 569542382 /nfs/dbraw/zinc/54/23/82/569542382.db2.gz KVMVKEDSLGLZGC-UHFFFAOYSA-N 0 0 438.936 5.874 50 0 IKAARN Cc1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1-c1ccccc1C ZINC000009509350 569542527 /nfs/dbraw/zinc/54/25/27/569542527.db2.gz SPCPMLPYRGOGFB-UONOGXRCSA-N 0 0 449.407 5.549 50 0 IKAARN COc1cc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(C)cc2)cc(OC)c1OC ZINC000009510849 569542797 /nfs/dbraw/zinc/54/27/97/569542797.db2.gz BPLQYOZTIZIDRD-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 IKAARN Cc1ccccc1C(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc2n1C ZINC000009510741 569542813 /nfs/dbraw/zinc/54/28/13/569542813.db2.gz SZVBSVBSVVBYIK-UHFFFAOYSA-N 0 0 436.433 5.785 50 0 IKAARN COc1ccc(NC(=O)CSc2nc(-c3cccc(F)c3)[nH]c2-c2ccccc2)cc1 ZINC000009512786 569542965 /nfs/dbraw/zinc/54/29/65/569542965.db2.gz YDTWMZURNFOYMQ-UHFFFAOYSA-N 0 0 433.508 5.622 50 0 IKAARN COc1cc(CCC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc(OC)c1OC ZINC000009513823 569543146 /nfs/dbraw/zinc/54/31/46/569543146.db2.gz KQYIRBIZDVVRQS-AREMUKBSSA-N 0 0 445.515 5.297 50 0 IKAARN Clc1ccccc1OCc1nnc(SCc2ccc(-n3cccn3)cc2)n1C1CC1 ZINC000009513707 569543165 /nfs/dbraw/zinc/54/31/65/569543165.db2.gz RUGRQCMBRZAICO-UHFFFAOYSA-N 0 0 437.956 5.323 50 0 IKAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 ZINC000009514414 569543205 /nfs/dbraw/zinc/54/32/05/569543205.db2.gz VJPWFEZHUHUJRJ-UHFFFAOYSA-N 0 0 431.355 5.759 50 0 IKAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3ccccc3s2)[C@H]1c1ccc(OC)cc1 ZINC000009515365 569543347 /nfs/dbraw/zinc/54/33/47/569543347.db2.gz SRMPOIUQSVGZFO-XMSQKQJNSA-N 0 0 437.565 5.023 50 0 IKAARN Fc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@H]2CCCO2)cc1 ZINC000009515763 569543402 /nfs/dbraw/zinc/54/34/02/569543402.db2.gz XVUPNRMJEMPZGK-MRXNPFEDSA-N 0 0 426.542 5.165 50 0 IKAARN Cc1cc(C(=O)CSc2nc(=O)c3c(-c4cccs4)csc3[nH]2)c(C)n1C1CC1 ZINC000009516507 569543515 /nfs/dbraw/zinc/54/35/15/569543515.db2.gz DUHVZJAVMQVKEV-UHFFFAOYSA-N 0 0 441.603 5.441 50 0 IKAARN COc1cccc(NCc2nnc(SCc3csc(C)n3)n2C2CCCCC2)c1 ZINC000009516764 569543531 /nfs/dbraw/zinc/54/35/31/569543531.db2.gz CAPXWTDQLRGIQX-UHFFFAOYSA-N 0 0 429.615 5.461 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1c(Cl)cccc1Cl ZINC000009516411 569543538 /nfs/dbraw/zinc/54/35/38/569543538.db2.gz PPMILXJRUBQWPR-SNVBAGLBSA-N 0 0 439.393 5.768 50 0 IKAARN COc1ccc(-c2noc(CSc3nc(C(F)(F)F)nc4ccccc43)n2)c(OC)c1 ZINC000009517005 569543553 /nfs/dbraw/zinc/54/35/53/569543553.db2.gz YORBYWGTUSKBSC-UHFFFAOYSA-N 0 0 448.426 5.008 50 0 IKAARN O=C1c2ccccc2N[C@@H](c2csc(-c3cccc(Br)c3)n2)N1C1CC1 ZINC000009516928 569543561 /nfs/dbraw/zinc/54/35/61/569543561.db2.gz SLCUVNUVEHIYCH-GOSISDBHSA-N 0 0 426.339 5.302 50 0 IKAARN CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009518317 569543996 /nfs/dbraw/zinc/54/39/96/569543996.db2.gz JUKGVWIFPUDOTN-UHFFFAOYSA-N 0 0 442.559 6.402 50 0 IKAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(Cl)c2)c1 ZINC000009518327 569544002 /nfs/dbraw/zinc/54/40/02/569544002.db2.gz JPLOYRUGAYPBGU-UHFFFAOYSA-N 0 0 434.879 5.664 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1 ZINC000009518343 569544012 /nfs/dbraw/zinc/54/40/12/569544012.db2.gz WKMMIXUIRYIYRN-UHFFFAOYSA-N 0 0 428.488 5.655 50 0 IKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)C1CCCCC1 ZINC000009518354 569544014 /nfs/dbraw/zinc/54/40/14/569544014.db2.gz VJYCVPQDGUHUMS-UHFFFAOYSA-N 0 0 446.425 6.103 50 0 IKAARN O=C(CCC1CCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009518505 569544087 /nfs/dbraw/zinc/54/40/87/569544087.db2.gz CSBUBTOUIRILSX-UHFFFAOYSA-N 0 0 434.492 5.365 50 0 IKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000009518498 569544096 /nfs/dbraw/zinc/54/40/96/569544096.db2.gz GMDPHMPYNAUSEG-UHFFFAOYSA-N 0 0 440.411 5.412 50 0 IKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c1 ZINC000009518430 569544117 /nfs/dbraw/zinc/54/41/17/569544117.db2.gz LVOMSQOTVOLZDF-UHFFFAOYSA-N 0 0 444.487 5.274 50 0 IKAARN O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000009522248 569544391 /nfs/dbraw/zinc/54/43/91/569544391.db2.gz MHEVJEJJJBCKEP-UHFFFAOYSA-N 0 0 438.455 5.079 50 0 IKAARN COc1ccccc1CCNC(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000009523623 569544409 /nfs/dbraw/zinc/54/44/09/569544409.db2.gz AKAFFJAVVUYCEL-UHFFFAOYSA-N 0 0 432.951 5.253 50 0 IKAARN O=C(Cc1ccc2c(c1)OCO2)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 ZINC000009521381 569544429 /nfs/dbraw/zinc/54/44/29/569544429.db2.gz FBTQBBVRNZWJBX-UHFFFAOYSA-N 0 0 448.569 5.814 50 0 IKAARN Cc1ccc2nc(NC(=O)Cc3cn(Cc4ccc(F)cc4)c4ccccc34)sc2c1 ZINC000009523780 569544452 /nfs/dbraw/zinc/54/44/52/569544452.db2.gz HFNAFAIZNMYCAV-UHFFFAOYSA-N 0 0 429.520 5.928 50 0 IKAARN Cc1cc2sc(N(Cc3ccccc3)C(=O)[C@H]3COc4ccccc4O3)nc2c(C)c1 ZINC000009525637 569544456 /nfs/dbraw/zinc/54/44/56/569544456.db2.gz HUFCBXYESACUQN-OAQYLSRUSA-N 0 0 430.529 5.286 50 0 IKAARN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000009525218 569544458 /nfs/dbraw/zinc/54/44/58/569544458.db2.gz DICJNMUDFFJYSB-UHFFFAOYSA-N 0 0 445.569 6.152 50 0 IKAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000009525133 569544490 /nfs/dbraw/zinc/54/44/90/569544490.db2.gz RGYLXSUAWCSMKP-UHFFFAOYSA-N 0 0 431.542 5.762 50 0 IKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(F)cc1F)[C@@H]2c1ccccc1 ZINC000009527700 569544645 /nfs/dbraw/zinc/54/46/45/569544645.db2.gz QNNIQJCNJYBHHY-HSZRJFAPSA-N 0 0 426.532 5.483 50 0 IKAARN Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)Nc3cccc(C)c3)c2)cc1 ZINC000009527881 569544696 /nfs/dbraw/zinc/54/46/96/569544696.db2.gz ZKHUGGIYYBRLBH-UHFFFAOYSA-N 0 0 442.563 5.478 50 0 IKAARN CCOc1ccc(CCNC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1OCC ZINC000009528965 569544750 /nfs/dbraw/zinc/54/47/50/569544750.db2.gz MYZOGLHDUVYALB-UHFFFAOYSA-N 0 0 444.531 5.573 50 0 IKAARN COc1ccc(C(=O)CSc2nc(-c3ccccc3)cn2-c2ccc(OC)cc2)cc1 ZINC000009529332 569544793 /nfs/dbraw/zinc/54/47/93/569544793.db2.gz OFYJWXFIGMWGLP-UHFFFAOYSA-N 0 0 430.529 5.532 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1Cl ZINC000009529344 569544835 /nfs/dbraw/zinc/54/48/35/569544835.db2.gz UMMFEHOXLWHQFY-UHFFFAOYSA-N 0 0 449.963 5.932 50 0 IKAARN COc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009529349 569544856 /nfs/dbraw/zinc/54/48/56/569544856.db2.gz JKQKKHTZWSMEOL-UHFFFAOYSA-N 0 0 449.963 5.932 50 0 IKAARN Cc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)NCCc2ccccc2)cc1 ZINC000009529364 569544857 /nfs/dbraw/zinc/54/48/57/569544857.db2.gz PDORRFXOQNAHEG-UHFFFAOYSA-N 0 0 427.573 5.299 50 0 IKAARN Cc1cccc(-c2nc3ccc(C(=O)NCc4cccnc4)cc3nc2-c2cccc(C)c2)c1 ZINC000009529795 569544888 /nfs/dbraw/zinc/54/48/88/569544888.db2.gz NAYJAJAVABLUHP-UHFFFAOYSA-N 0 0 444.538 5.906 50 0 IKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000009531291 569545128 /nfs/dbraw/zinc/54/51/28/569545128.db2.gz MUCKECRIZRAIKH-CTNGQTDRSA-N 0 0 440.591 6.723 50 0 IKAARN CCOc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000009531374 569545141 /nfs/dbraw/zinc/54/51/41/569545141.db2.gz RTLJELQVYDSDIC-UHFFFAOYSA-N 0 0 448.950 5.730 50 0 IKAARN CCOc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009531276 569545151 /nfs/dbraw/zinc/54/51/51/569545151.db2.gz JBVFUZWMUPPEAR-UHFFFAOYSA-N 0 0 432.495 5.215 50 0 IKAARN COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]CCC1=CCCCC1 ZINC000009531819 569545206 /nfs/dbraw/zinc/54/52/06/569545206.db2.gz APDLJMRWOBTNCY-UHFFFAOYSA-N 0 0 432.564 5.685 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3OCC)c2C(=O)[O-])cc1 ZINC000009531572 569545212 /nfs/dbraw/zinc/54/52/12/569545212.db2.gz QWELOGLRSPVIRF-UHFFFAOYSA-N 0 0 440.543 5.719 50 0 IKAARN CCc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000009531845 569545214 /nfs/dbraw/zinc/54/52/14/569545214.db2.gz GXMUJWMMXOOZRZ-UHFFFAOYSA-N 0 0 442.559 5.557 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009532001 569545252 /nfs/dbraw/zinc/54/52/52/569545252.db2.gz HIECZOCDEIMPPP-SEPYTNNBSA-N 0 0 438.543 5.450 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000009532368 569545280 /nfs/dbraw/zinc/54/52/80/569545280.db2.gz XQOJMNCGZAJHKN-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN COc1ccc2c(C[NH2+]Cc3cccc(Cl)c3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532344 569545296 /nfs/dbraw/zinc/54/52/96/569545296.db2.gz NSEYTRJYVYAUNF-UHFFFAOYSA-N 0 0 448.950 5.648 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532396 569545305 /nfs/dbraw/zinc/54/53/05/569545305.db2.gz CYHHNPWCTLQAIX-HXUWFJFHSA-N 0 0 442.559 5.598 50 0 IKAARN COc1ccccc1-c1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)o1 ZINC000009532296 569545324 /nfs/dbraw/zinc/54/53/24/569545324.db2.gz FKHLMEKXZOUZCC-HSZRJFAPSA-N 0 0 430.529 6.078 50 0 IKAARN COc1ccc2c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532519 569545358 /nfs/dbraw/zinc/54/53/58/569545358.db2.gz POXDPYHVEQCVFF-GOSISDBHSA-N 0 0 446.522 5.429 50 0 IKAARN COc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532530 569545382 /nfs/dbraw/zinc/54/53/82/569545382.db2.gz QZTNJOBMCMWWOH-YGKZAACZSA-N 0 0 438.543 5.450 50 0 IKAARN CSc1ccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009532934 569545411 /nfs/dbraw/zinc/54/54/11/569545411.db2.gz QVLNJQRHTKOUMA-UHFFFAOYSA-N 0 0 430.573 5.708 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000009533549 569545414 /nfs/dbraw/zinc/54/54/14/569545414.db2.gz SPANAFGTMMWBGB-OAQYLSRUSA-N 0 0 434.565 5.280 50 0 IKAARN CCOc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009532947 569545416 /nfs/dbraw/zinc/54/54/16/569545416.db2.gz HMBBCGLLNLHGAG-UHFFFAOYSA-N 0 0 442.559 5.427 50 0 IKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]CCc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000009532964 569545419 /nfs/dbraw/zinc/54/54/19/569545419.db2.gz KGCLRVFYEHGHJJ-UHFFFAOYSA-N 0 0 446.978 5.990 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccc(C)cc3)c2C(=O)[O-])c1 ZINC000009532995 569545434 /nfs/dbraw/zinc/54/54/34/569545434.db2.gz YSPDLWYKTCAXSB-UHFFFAOYSA-N 0 0 428.532 5.303 50 0 IKAARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(F)cc2Br)o1 ZINC000009533823 569545453 /nfs/dbraw/zinc/54/54/53/569545453.db2.gz CHWGUWRJBRBJDV-UHFFFAOYSA-N 0 0 430.233 5.181 50 0 IKAARN COc1ccc(OC)c(C[NH2+]Cc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])c1 ZINC000009532938 569545454 /nfs/dbraw/zinc/54/54/54/569545454.db2.gz BTPBMGSDIVHRMN-UHFFFAOYSA-N 0 0 444.531 5.003 50 0 IKAARN O=C(COC(=O)c1cc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009534480 569545494 /nfs/dbraw/zinc/54/54/94/569545494.db2.gz RPDFDCGVSIFDKI-MRXNPFEDSA-N 0 0 436.514 5.091 50 0 IKAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1oc2ccccc2c1COc1ccccc1 ZINC000009535228 569545582 /nfs/dbraw/zinc/54/55/82/569545582.db2.gz WBNSASIFVORDER-UHFFFAOYSA-N 0 0 440.499 5.069 50 0 IKAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(F)c1 ZINC000009539596 569545662 /nfs/dbraw/zinc/54/56/62/569545662.db2.gz XWYNUMUDCWUTRF-UHFFFAOYSA-N 0 0 439.295 5.186 50 0 IKAARN COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1CSc1ncccn1 ZINC000009539794 569545687 /nfs/dbraw/zinc/54/56/87/569545687.db2.gz JABXAQSBQXAMFX-UHFFFAOYSA-N 0 0 435.552 6.660 50 0 IKAARN CCOC(=O)Cc1c(-c2cccs2)nc2sc3c(c2c1-c1ccccc1)CCCC3 ZINC000009540465 569545793 /nfs/dbraw/zinc/54/57/93/569545793.db2.gz AIYYOWMIWODTFJ-UHFFFAOYSA-N 0 0 433.598 6.676 50 0 IKAARN CCc1ccc2nc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)sc2c1 ZINC000009540761 569545829 /nfs/dbraw/zinc/54/58/29/569545829.db2.gz UKJBSUUGKJDNCD-UHFFFAOYSA-N 0 0 443.572 5.613 50 0 IKAARN Cc1ccc(Cl)cc1-n1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 ZINC000009542150 569545900 /nfs/dbraw/zinc/54/59/00/569545900.db2.gz YNUICGULFVKMQW-UHFFFAOYSA-N 0 0 426.951 6.895 50 0 IKAARN CCCCCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(CCC)cn3)cc2)cc1 ZINC000009543691 569545987 /nfs/dbraw/zinc/54/59/87/569545987.db2.gz NNYJVAUMBQREBH-UHFFFAOYSA-N 0 0 445.559 6.657 50 0 biogenic IKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000009544910 569546035 /nfs/dbraw/zinc/54/60/35/569546035.db2.gz KGQNCQZILLKMTL-CQSZACIVSA-N 0 0 425.604 5.732 50 0 IKAARN Cc1ccc2nc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)sc2c1 ZINC000009544956 569546058 /nfs/dbraw/zinc/54/60/58/569546058.db2.gz GFJFYNIEBRDWQI-UHFFFAOYSA-N 0 0 427.938 5.824 50 0 IKAARN Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)nc2c1C ZINC000009545097 569546089 /nfs/dbraw/zinc/54/60/89/569546089.db2.gz LSGCCNVPGWOIFI-UHFFFAOYSA-N 0 0 430.558 5.765 50 0 IKAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000009545795 569546149 /nfs/dbraw/zinc/54/61/49/569546149.db2.gz RIGVNYHOVDVUDJ-HNAYVOBHSA-N 0 0 444.988 5.027 50 0 IKAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000009546092 569546282 /nfs/dbraw/zinc/54/62/82/569546282.db2.gz KJHNDAVROAMFKO-ILWHBRQTSA-N 0 0 438.999 5.385 50 0 IKAARN c1ccc(Cc2nc3cc(Cc4ccc5[nH]c(Cc6ccccc6)nc5c4)ccc3[nH]2)cc1 ZINC000009546490 569546305 /nfs/dbraw/zinc/54/63/05/569546305.db2.gz VLVLDFALGDWCIR-UHFFFAOYSA-N 0 0 428.539 6.212 50 0 IKAARN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(Cl)cc1 ZINC000009546611 569546331 /nfs/dbraw/zinc/54/63/31/569546331.db2.gz XDXYFZMYNHEAON-UHFFFAOYSA-N 0 0 427.685 6.163 50 0 IKAARN C[C@@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc21)C(=O)N1CCCC1 ZINC000009548560 569546487 /nfs/dbraw/zinc/54/64/87/569546487.db2.gz HTYWGRAZKOPEDB-GFCCVEGCSA-N 0 0 448.411 5.224 50 0 IKAARN COc1ccc(C(C)=O)cc1CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000009549219 569546607 /nfs/dbraw/zinc/54/66/07/569546607.db2.gz PINASJNFFCOHTG-UHFFFAOYSA-N 0 0 441.622 5.939 50 0 IKAARN COc1ccc(-c2cc(NC(=O)CCc3nnc(-c4ccc(C)cc4)o3)ccc2OC)cc1 ZINC000009549672 569546634 /nfs/dbraw/zinc/54/66/34/569546634.db2.gz VQBBUYQKGHQVDY-UHFFFAOYSA-N 0 0 443.503 5.301 50 0 IKAARN C[C@@H]1CC[C@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)C1 ZINC000009556695 569546848 /nfs/dbraw/zinc/54/68/48/569546848.db2.gz NFBZLNYJLUCADR-KGLIPLIRSA-N 0 0 435.515 5.000 50 0 IKAARN CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000009559662 569546991 /nfs/dbraw/zinc/54/69/91/569546991.db2.gz BCZWMYHAKCCQKQ-RPBOFIJWSA-N 0 0 439.515 5.116 50 0 IKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc32)c(Cl)c1 ZINC000009559716 569547005 /nfs/dbraw/zinc/54/70/05/569547005.db2.gz PVRDXYGTBWMFNY-RPWUZVMVSA-N 0 0 443.934 5.679 50 0 IKAARN CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000009559663 569547020 /nfs/dbraw/zinc/54/70/20/569547020.db2.gz BCZWMYHAKCCQKQ-DQEYMECFSA-N 0 0 439.515 5.116 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc21 ZINC000009559673 569547025 /nfs/dbraw/zinc/54/70/25/569547025.db2.gz UVLWUAPIAHBPAS-LOSJGSFVSA-N 0 0 439.515 5.034 50 0 IKAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]1c1c[nH]c2ccccc21 ZINC000009559630 569547032 /nfs/dbraw/zinc/54/70/32/569547032.db2.gz OSNMXJZTSMKRGL-XZOQPEGZSA-N 0 0 447.897 5.510 50 0 IKAARN O=C(c1ccccc1)c1ccc2nc(Nc3cc(Cl)cc(Cl)c3)c3nncn3c2c1 ZINC000009561203 569547107 /nfs/dbraw/zinc/54/71/07/569547107.db2.gz DRRFKQIXKAGFRV-UHFFFAOYSA-N 0 0 434.286 5.559 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1ncnc2sc(C)c(C)c21)c1ccccc1 ZINC000009561823 569547179 /nfs/dbraw/zinc/54/71/79/569547179.db2.gz ZAERETBQMRQUGJ-NRFANRHFSA-N 0 0 449.601 6.097 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(OC)cc4)no3)ccc21 ZINC000009561615 569547191 /nfs/dbraw/zinc/54/71/91/569547191.db2.gz SOGOJLUFCQVHPK-UHFFFAOYSA-N 0 0 440.503 5.444 50 0 IKAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c(C)n1Cc1ccco1 ZINC000009566738 569547384 /nfs/dbraw/zinc/54/73/84/569547384.db2.gz HKNVFYGAFHVGDS-UHFFFAOYSA-N 0 0 438.553 5.229 50 0 IKAARN CC(C)Cn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 ZINC000009566761 569547398 /nfs/dbraw/zinc/54/73/98/569547398.db2.gz PLPGVQSZOZOMHR-NXTQRVMMSA-N 0 0 442.629 5.007 50 0 IKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nnc2-c2ccccc2)cc1 ZINC000009562928 569547421 /nfs/dbraw/zinc/54/74/21/569547421.db2.gz OESPYZPDJPCSDY-UHFFFAOYSA-N 0 0 435.940 5.022 50 0 IKAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(-c2ccccc2)cc1 ZINC000009568962 569547473 /nfs/dbraw/zinc/54/74/73/569547473.db2.gz WKGSNJYIMANLRJ-UHFFFAOYSA-N 0 0 442.519 5.236 50 0 IKAARN COc1ccc(-c2cn3c(C)c(C(=O)N4CCC(Cc5ccccc5)CC4)sc3n2)cc1 ZINC000009569635 569547581 /nfs/dbraw/zinc/54/75/81/569547581.db2.gz ZLDFIYFWQOUAKX-UHFFFAOYSA-N 0 0 445.588 5.475 50 0 IKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(OC(F)(F)F)cc4)sc3n2)cc1 ZINC000009569651 569547649 /nfs/dbraw/zinc/54/76/49/569547649.db2.gz DTRITCKTXDAJEJ-UHFFFAOYSA-N 0 0 447.438 5.531 50 0 IKAARN COc1cccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573620 569547868 /nfs/dbraw/zinc/54/78/68/569547868.db2.gz SQKKDZAKCPETOB-UHFFFAOYSA-N 0 0 428.540 5.702 50 0 IKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)n2)cc1 ZINC000009573321 569547879 /nfs/dbraw/zinc/54/78/79/569547879.db2.gz OTHLCBVXACJGNP-UHFFFAOYSA-N 0 0 437.547 6.450 50 0 IKAARN CCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)c(C)c1 ZINC000009573637 569547880 /nfs/dbraw/zinc/54/78/80/569547880.db2.gz LORYRWFEAPOFKN-UHFFFAOYSA-N 0 0 437.569 5.123 50 0 IKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3cc(C)cc(C)c3)n2)cc1 ZINC000009573551 569547907 /nfs/dbraw/zinc/54/79/07/569547907.db2.gz BUYKAWDZQKJDPF-UHFFFAOYSA-N 0 0 434.547 6.096 50 0 IKAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000009573411 569547913 /nfs/dbraw/zinc/54/79/13/569547913.db2.gz KXASYPPNTYNQPP-UHFFFAOYSA-N 0 0 443.473 5.646 50 0 IKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000009575459 569547935 /nfs/dbraw/zinc/54/79/35/569547935.db2.gz LROYXIMQYZYMNT-DEOSSOPVSA-N 0 0 435.545 5.637 50 0 IKAARN COc1ccc(C(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1 ZINC000009578076 569548283 /nfs/dbraw/zinc/54/82/83/569548283.db2.gz RXXOFSIJBXBSDM-UHFFFAOYSA-N 0 0 439.587 5.621 50 0 IKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccccc2Cl)nn1 ZINC000009578259 569548287 /nfs/dbraw/zinc/54/82/87/569548287.db2.gz OAOYEOIVCKNEMO-UHFFFAOYSA-N 0 0 427.957 6.660 50 0 IKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(COc2ccccc2)o1 ZINC000009578388 569548355 /nfs/dbraw/zinc/54/83/55/569548355.db2.gz JNOAGCVQWZMKKR-UHFFFAOYSA-N 0 0 428.492 5.096 50 0 IKAARN O=C(Nc1nnc(SCc2ccc(F)c(F)c2)s1)C1(c2cccs2)CCCC1 ZINC000070635111 569548636 /nfs/dbraw/zinc/54/86/36/569548636.db2.gz QLRBSZDZCBIORX-UHFFFAOYSA-N 0 0 437.562 5.621 50 0 IKAARN O=C(c1cc(Br)ccc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000070635480 569548687 /nfs/dbraw/zinc/54/86/87/569548687.db2.gz VSRRAQXFBODFFW-INIZCTEOSA-N 0 0 448.666 5.335 50 0 IKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](OC(=O)c1ccncc1)c1ccccc1 ZINC000009581160 569549119 /nfs/dbraw/zinc/54/91/19/569549119.db2.gz JSBOZTYVFPAOSN-SFHVURJKSA-N 0 0 434.801 5.291 50 0 IKAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)Nc3ccccc3)cnn2-c2ccccc2)CC1 ZINC000009581628 569549190 /nfs/dbraw/zinc/54/91/90/569549190.db2.gz KKKDBTKYFMODQD-UHFFFAOYSA-N 0 0 446.551 5.239 50 0 IKAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000009581758 569549198 /nfs/dbraw/zinc/54/91/98/569549198.db2.gz UDDKLQIGIKZTMV-UHFFFAOYSA-N 0 0 425.897 5.089 50 0 IKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009583327 569549260 /nfs/dbraw/zinc/54/92/60/569549260.db2.gz XQIJMSQGAMKJGU-QGZVFWFLSA-N 0 0 425.941 5.054 50 0 IKAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1cccc(Cl)c1Cl ZINC000009583247 569549279 /nfs/dbraw/zinc/54/92/79/569549279.db2.gz SLSLMEOBGFACRO-UHFFFAOYSA-N 0 0 428.391 5.701 50 0 IKAARN c1ccc(Cc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 ZINC000009583842 569549359 /nfs/dbraw/zinc/54/93/59/569549359.db2.gz QKVDZQDWUHEVIS-RUZDIDTESA-N 0 0 440.506 6.154 50 0 IKAARN C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1 ZINC000009584733 569549449 /nfs/dbraw/zinc/54/94/49/569549449.db2.gz RARRIEZIAIABMK-SNVBAGLBSA-N 0 0 442.418 6.089 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 ZINC000009585882 569549571 /nfs/dbraw/zinc/54/95/71/569549571.db2.gz JPHMJDLTACGJLW-UHFFFAOYSA-N 0 0 429.954 5.952 50 0 IKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1Cl ZINC000009585490 569549582 /nfs/dbraw/zinc/54/95/82/569549582.db2.gz NTCNZQYZONUWST-UHFFFAOYSA-N 0 0 434.344 5.729 50 0 IKAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000009586030 569549605 /nfs/dbraw/zinc/54/96/05/569549605.db2.gz NSSOGORGVMIIJX-UHFFFAOYSA-N 0 0 447.560 5.500 50 0 IKAARN C[C@H](Sc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009586357 569549673 /nfs/dbraw/zinc/54/96/73/569549673.db2.gz MHVKXDQVIQVDED-NSHDSACASA-N 0 0 428.560 5.338 50 0 IKAARN C[C@@H](Sc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009586360 569549700 /nfs/dbraw/zinc/54/97/00/569549700.db2.gz MHVKXDQVIQVDED-LLVKDONJSA-N 0 0 428.560 5.338 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000009587097 569549810 /nfs/dbraw/zinc/54/98/10/569549810.db2.gz MAPDWZUSLZWHEC-UHFFFAOYSA-N 0 0 448.997 5.290 50 0 IKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)NC(=O)c1ccccc1Cl ZINC000009587809 569549835 /nfs/dbraw/zinc/54/98/35/569549835.db2.gz BTQRYSGJWCEFQE-UHFFFAOYSA-N 0 0 439.949 5.060 50 0 IKAARN CCC(=O)N(c1nnc(SCc2csc(-c3ccc(C(C)C)cc3)n2)s1)C1CC1 ZINC000009587786 569549857 /nfs/dbraw/zinc/54/98/57/569549857.db2.gz XRYZQOFRUXGEME-UHFFFAOYSA-N 0 0 444.651 5.983 50 0 IKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Cl)c2)no1 ZINC000009588772 569549881 /nfs/dbraw/zinc/54/98/81/569549881.db2.gz XMTSLURSEXEFJE-UHFFFAOYSA-N 0 0 426.929 5.192 50 0 IKAARN CCc1ccccc1NC(=O)CSc1nc(=O)c2c(C[C@@H](C)CC)c(C)sc2[nH]1 ZINC000009589367 569549940 /nfs/dbraw/zinc/54/99/40/569549940.db2.gz KSLBIVJHGNNINM-ZDUSSCGKSA-N 0 0 429.611 5.175 50 0 IKAARN O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)C12CC3CC(CC(C3)C1)C2 ZINC000009590725 569549996 /nfs/dbraw/zinc/54/99/96/569549996.db2.gz AYBKNOANOWTTOK-UHFFFAOYSA-N 0 0 437.055 6.194 50 0 IKAARN COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cc(Br)ccc3OC)ccc2c1 ZINC000009590777 569550029 /nfs/dbraw/zinc/55/00/29/569550029.db2.gz ZCWCVDSEVLJDGQ-OAHLLOKOSA-N 0 0 442.353 5.382 50 0 IKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000009590837 569550034 /nfs/dbraw/zinc/55/00/34/569550034.db2.gz SBGXBLYDTBIBGK-REWPJTCUSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000009590834 569550072 /nfs/dbraw/zinc/55/00/72/569550072.db2.gz SBGXBLYDTBIBGK-NZQKXSOJSA-N 0 0 435.321 5.700 50 0 IKAARN COc1ccc(NC(=S)NN=c2oc3c(C)c4oc(C)c(C)c4cc3c(C)c2C)cc1 ZINC000070655967 569550112 /nfs/dbraw/zinc/55/01/12/569550112.db2.gz LRGGICVJMLRWDL-WNAAXNPUSA-N 0 0 435.549 5.532 50 0 IKAARN COc1ccc([C@H](CNC(=O)Cc2c(F)cccc2Cl)c2c[nH]c3ccccc32)cc1 ZINC000009591902 569550221 /nfs/dbraw/zinc/55/02/21/569550221.db2.gz PTGNCUULNMRFNW-FQEVSTJZSA-N 0 0 436.914 5.460 50 0 IKAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000009591990 569550311 /nfs/dbraw/zinc/55/03/11/569550311.db2.gz HPZDJKSOLYSLAF-AWEZNQCLSA-N 0 0 430.335 5.044 50 0 IKAARN CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009592290 569550313 /nfs/dbraw/zinc/55/03/13/569550313.db2.gz YCLAQBJNUBDZNP-FQEVSTJZSA-N 0 0 434.492 5.318 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009592055 569550314 /nfs/dbraw/zinc/55/03/14/569550314.db2.gz GRYHPOZMDJRDHZ-MRXNPFEDSA-N 0 0 430.455 5.029 50 0 IKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009592058 569550318 /nfs/dbraw/zinc/55/03/18/569550318.db2.gz GRYHPOZMDJRDHZ-INIZCTEOSA-N 0 0 430.455 5.029 50 0 IKAARN CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000009592546 569550349 /nfs/dbraw/zinc/55/03/49/569550349.db2.gz FCOUZUPWIWMWMV-UHFFFAOYSA-N 0 0 435.427 5.310 50 0 IKAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccccc1Cl ZINC000009592960 569550354 /nfs/dbraw/zinc/55/03/54/569550354.db2.gz NRBVJWXGSBPREJ-NRFANRHFSA-N 0 0 435.838 5.037 50 0 IKAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc12 ZINC000009594571 569550569 /nfs/dbraw/zinc/55/05/69/569550569.db2.gz KAESJRAEFGDPGW-UHFFFAOYSA-N 0 0 438.622 5.692 50 0 IKAARN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000009595315 569550696 /nfs/dbraw/zinc/55/06/96/569550696.db2.gz FNTHSGWHAPVJOH-DEOSSOPVSA-N 0 0 427.935 6.634 50 0 IKAARN CCOc1ccc2[nH]c(SCc3csc(CC(=O)Nc4ccc(C)cc4)n3)nc2c1 ZINC000009596590 569550791 /nfs/dbraw/zinc/55/07/91/569550791.db2.gz DBMITPQRYUZTSS-UHFFFAOYSA-N 0 0 438.578 5.200 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(SCC)cc1 ZINC000009596767 569550826 /nfs/dbraw/zinc/55/08/26/569550826.db2.gz LUUFOGHNFAVYKC-UHFFFAOYSA-N 0 0 425.575 5.885 50 0 IKAARN COc1cccc(Oc2ccc(NC(=O)c3cc4cc(Br)ccc4o3)cn2)c1 ZINC000009597231 569550855 /nfs/dbraw/zinc/55/08/55/569550855.db2.gz NDNMWDSHJRGWDX-UHFFFAOYSA-N 0 0 439.265 5.644 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000009597176 569550897 /nfs/dbraw/zinc/55/08/97/569550897.db2.gz RUONFKGCORTOFC-INIZCTEOSA-N 0 0 444.240 5.279 50 0 IKAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1C ZINC000009597413 569550940 /nfs/dbraw/zinc/55/09/40/569550940.db2.gz VDADWVYDQSRCHG-OAQYLSRUSA-N 0 0 434.565 5.039 50 0 IKAARN CCCCOc1ccc(-c2csc(-c3nc(-c4ccc(C)c(C)c4)c(C)s3)n2)cc1 ZINC000009597536 569550942 /nfs/dbraw/zinc/55/09/42/569550942.db2.gz OHILAOWOXLOHGQ-UHFFFAOYSA-N 0 0 434.630 7.705 50 0 IKAARN Clc1ccc(-c2nc3ccc(Cl)cn3c2NC(c2ccccc2)c2ccccc2)cc1 ZINC000009598490 569551011 /nfs/dbraw/zinc/55/10/11/569551011.db2.gz ARYJDZJBYBIFDT-UHFFFAOYSA-N 0 0 444.365 7.510 50 0 IKAARN COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccc(F)c2)cc1 ZINC000009599146 569551147 /nfs/dbraw/zinc/55/11/47/569551147.db2.gz ZKBADIRKSLHNEN-UHFFFAOYSA-N 0 0 439.556 5.458 50 0 IKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000009599168 569551153 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0 IKAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1F)oc1ccccc12 ZINC000009632338 569553981 /nfs/dbraw/zinc/55/39/81/569553981.db2.gz IFLSKQYHTPEMGM-GFCCVEGCSA-N 0 0 425.387 5.057 50 0 IKAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1c(F)cccc1F)oc1ccccc12 ZINC000009632265 569553995 /nfs/dbraw/zinc/55/39/95/569553995.db2.gz UZHZJTNPKQRTDJ-LBPRGKRZSA-N 0 0 425.387 5.057 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000009632867 569554153 /nfs/dbraw/zinc/55/41/53/569554153.db2.gz BJXKENILCNQRMZ-UHFFFAOYSA-N 0 0 444.944 5.519 50 0 IKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000009633043 569554156 /nfs/dbraw/zinc/55/41/56/569554156.db2.gz ICIUEDJCXULQTB-UHFFFAOYSA-N 0 0 426.954 5.380 50 0 IKAARN O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009633134 569554175 /nfs/dbraw/zinc/55/41/75/569554175.db2.gz FWNRJUMUOMJVQP-UHFFFAOYSA-N 0 0 437.801 5.073 50 0 IKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009633193 569554184 /nfs/dbraw/zinc/55/41/84/569554184.db2.gz RNNVXGNIROXKGI-UHFFFAOYSA-N 0 0 440.572 6.060 50 0 IKAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 ZINC000009633272 569554227 /nfs/dbraw/zinc/55/42/27/569554227.db2.gz DIVKGIOAUYMOCZ-UHFFFAOYSA-N 0 0 448.862 5.339 50 0 IKAARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccco2)nc2ccccc21 ZINC000009634589 569554500 /nfs/dbraw/zinc/55/45/00/569554500.db2.gz VANCLSVFXNJLKI-UHFFFAOYSA-N 0 0 431.835 5.555 50 0 IKAARN Cc1cccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2C)c1 ZINC000009634987 569554583 /nfs/dbraw/zinc/55/45/83/569554583.db2.gz IUSYTQHOMVARLN-OAQYLSRUSA-N 0 0 432.524 5.402 50 0 IKAARN Cc1sc2[nH]c([C@H](C)Sc3nnc(-c4ccco4)n3-c3ccccc3)nc(=O)c2c1C ZINC000009635510 569554651 /nfs/dbraw/zinc/55/46/51/569554651.db2.gz LSRCGLWWHYANHH-AWEZNQCLSA-N 0 0 449.561 5.295 50 0 IKAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3C)nc2c1 ZINC000009635958 569554750 /nfs/dbraw/zinc/55/47/50/569554750.db2.gz HLQHCZMFBFIJHL-UHFFFAOYSA-N 0 0 435.936 5.892 50 0 IKAARN CC(C)N(C(=O)CSc1nnnn1C1CCCC1)c1ccc(Nc2ccccc2)cc1 ZINC000009638391 569554977 /nfs/dbraw/zinc/55/49/77/569554977.db2.gz IKFOAYHGCBKKHI-UHFFFAOYSA-N 0 0 436.585 5.066 50 0 IKAARN CCc1cc2c(CSc3nnc(-c4ccccc4F)n3C3CC3)cc(=O)oc2cc1O ZINC000009638667 569555028 /nfs/dbraw/zinc/55/50/28/569555028.db2.gz LZALTIITGARXEW-UHFFFAOYSA-N 0 0 437.496 5.086 50 0 IKAARN COc1ccc(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1Cl ZINC000009639808 569555263 /nfs/dbraw/zinc/55/52/63/569555263.db2.gz GIHLZNFHUXKTCL-XMMPIXPASA-N 0 0 449.938 5.267 50 0 IKAARN COC(=O)c1c(SCc2ccccc2)nc2ccccc2c1OCc1ccc(Cl)cc1 ZINC000009640101 569555313 /nfs/dbraw/zinc/55/53/13/569555313.db2.gz YTQPPHIUUNCJAB-UHFFFAOYSA-N 0 0 449.959 6.546 50 0 IKAARN COC(=O)c1c(SCc2ccc(C)cc2)nc2ccccc2c1OCc1ccccc1C ZINC000009640120 569555336 /nfs/dbraw/zinc/55/53/36/569555336.db2.gz DCKBPRJRTZAQGE-UHFFFAOYSA-N 0 0 443.568 6.510 50 0 IKAARN COC(=O)c1c(SCc2ccccc2C)nc2ccccc2c1OCc1cccc(F)c1 ZINC000009640193 569555359 /nfs/dbraw/zinc/55/53/59/569555359.db2.gz MYFSMCXPEFNVRV-UHFFFAOYSA-N 0 0 447.531 6.340 50 0 IKAARN Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009641408 569555599 /nfs/dbraw/zinc/55/55/99/569555599.db2.gz VQIGUPNTZCGYBM-UHFFFAOYSA-N 0 0 430.529 5.130 50 0 IKAARN CCc1ccc(OCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000009641372 569555637 /nfs/dbraw/zinc/55/56/37/569555637.db2.gz IZNGBWPBKSRCNF-UHFFFAOYSA-N 0 0 448.592 5.116 50 0 IKAARN Cn1ccnc1S[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000009642462 569555825 /nfs/dbraw/zinc/55/58/25/569555825.db2.gz ZEZFICIZVJLVLP-INIZCTEOSA-N 0 0 425.863 5.564 50 0 IKAARN Cc1ccc(NC(=O)Cc2nc(CN(C)[C@H](C)c3nc4ccccc4s3)cs2)cc1 ZINC000009642468 569555826 /nfs/dbraw/zinc/55/58/26/569555826.db2.gz ZGHURHMUPAEBAI-MRXNPFEDSA-N 0 0 436.606 5.435 50 0 IKAARN COc1ccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000009642716 569555828 /nfs/dbraw/zinc/55/58/28/569555828.db2.gz MZBSHLIBCJLVKM-UHFFFAOYSA-N 0 0 429.520 5.251 50 0 IKAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cccc2ccccc21 ZINC000009642388 569555834 /nfs/dbraw/zinc/55/58/34/569555834.db2.gz AESKRMOVTXGMEB-UHFFFAOYSA-N 0 0 449.963 5.974 50 0 IKAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc21)C(=O)N1CCCC1 ZINC000009642435 569555870 /nfs/dbraw/zinc/55/58/70/569555870.db2.gz AHPYTYKUDFYGQV-AWEZNQCLSA-N 0 0 442.382 5.162 50 0 IKAARN Cn1ccnc1S[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000009642466 569555872 /nfs/dbraw/zinc/55/58/72/569555872.db2.gz ZEZFICIZVJLVLP-MRXNPFEDSA-N 0 0 425.863 5.564 50 0 IKAARN C[C@@H](CNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 ZINC000009642822 569555920 /nfs/dbraw/zinc/55/59/20/569555920.db2.gz LFJYJIRDTDABIJ-NRFANRHFSA-N 0 0 441.575 5.524 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000009644055 569555956 /nfs/dbraw/zinc/55/59/56/569555956.db2.gz VDNYJXBMOBDQHB-TZMCWYRMSA-N 0 0 428.048 5.588 50 0 IKAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000009644064 569555957 /nfs/dbraw/zinc/55/59/57/569555957.db2.gz VDNYJXBMOBDQHB-GXTWGEPZSA-N 0 0 428.048 5.588 50 0 IKAARN C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000009643474 569555987 /nfs/dbraw/zinc/55/59/87/569555987.db2.gz MTNXKQFYKXUHSG-SNVBAGLBSA-N 0 0 429.731 5.523 50 0 IKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3c(C)cc(C)cc3C)nc(=O)c12 ZINC000009645774 569556109 /nfs/dbraw/zinc/55/61/09/569556109.db2.gz AFZDUSUJKDLNGW-LBPRGKRZSA-N 0 0 443.638 5.538 50 0 IKAARN COc1ccc(Nc2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 ZINC000009645779 569556155 /nfs/dbraw/zinc/55/61/55/569556155.db2.gz ROKYGIFYYCNXNZ-UHFFFAOYSA-N 0 0 441.607 5.843 50 0 IKAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000009646199 569556255 /nfs/dbraw/zinc/55/62/55/569556255.db2.gz RNKWTINHIWRXST-UHFFFAOYSA-N 0 0 432.501 5.192 50 0 IKAARN CCc1ccc(NC(=O)c2ccccc2NCc2nc(-c3ccccc3OC)no2)cc1 ZINC000009647200 569556374 /nfs/dbraw/zinc/55/63/74/569556374.db2.gz QIMUPSHRKXHBLD-UHFFFAOYSA-N 0 0 428.492 5.172 50 0 IKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc3)c2O1 ZINC000009659783 569556692 /nfs/dbraw/zinc/55/66/92/569556692.db2.gz IWYLVTJMUMCMTI-UHFFFAOYSA-N 0 0 440.543 5.433 50 0 IKAARN COC(=O)c1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000009659764 569556704 /nfs/dbraw/zinc/55/67/04/569556704.db2.gz NNYUXOFVOGVGGP-UHFFFAOYSA-N 0 0 431.488 5.018 50 0 IKAARN COc1cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)cc(OC)c1OC ZINC000009660248 569556716 /nfs/dbraw/zinc/55/67/16/569556716.db2.gz KMMHDWMJIRCEBP-UHFFFAOYSA-N 0 0 445.471 5.047 50 0 biogenic IKAARN CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000009663178 569557226 /nfs/dbraw/zinc/55/72/26/569557226.db2.gz HOVGPGVAAGJBJT-CQSZACIVSA-N 0 0 430.371 5.015 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1Cl ZINC000009663610 569557234 /nfs/dbraw/zinc/55/72/34/569557234.db2.gz WVMWNKQWEWKNJR-UHFFFAOYSA-N 0 0 430.888 5.123 50 0 IKAARN Cc1ccc2c(CSc3nc4ccccc4c(=O)n3-c3ccccc3F)cc(=O)oc2c1 ZINC000009663563 569557237 /nfs/dbraw/zinc/55/72/37/569557237.db2.gz INWPTEKMXSTDPX-UHFFFAOYSA-N 0 0 444.487 5.232 50 0 IKAARN Cc1cc(C)cc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000009663639 569557238 /nfs/dbraw/zinc/55/72/38/569557238.db2.gz HPKXZYHULDCIRT-UHFFFAOYSA-N 0 0 426.925 5.292 50 0 IKAARN CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009663519 569557262 /nfs/dbraw/zinc/55/72/62/569557262.db2.gz GBUXZIKVSPDXKV-QHCPKHFHSA-N 0 0 446.551 5.500 50 0 IKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C ZINC000009663862 569557309 /nfs/dbraw/zinc/55/73/09/569557309.db2.gz FYWVBYYBAZRFID-UHFFFAOYSA-N 0 0 449.967 5.330 50 0 IKAARN Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c(C)c1 ZINC000009664621 569557465 /nfs/dbraw/zinc/55/74/65/569557465.db2.gz XQFBACZEWYDODP-UHFFFAOYSA-N 0 0 444.915 5.431 50 0 IKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc(C(F)(F)F)n2C)c2ccccc2)cc1Cl ZINC000009665538 569557595 /nfs/dbraw/zinc/55/75/95/569557595.db2.gz WSJGIWILDRJIOL-OAHLLOKOSA-N 0 0 440.878 5.268 50 0 IKAARN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccccc1 ZINC000009666594 569557763 /nfs/dbraw/zinc/55/77/63/569557763.db2.gz ZXOLFLIGKWVTCR-UHFFFAOYSA-N 0 0 448.979 5.402 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 ZINC000009669718 569558131 /nfs/dbraw/zinc/55/81/31/569558131.db2.gz MEZMRUQKZZRPFW-RUZDIDTESA-N 0 0 434.536 5.637 50 0 IKAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1C ZINC000009671062 569558435 /nfs/dbraw/zinc/55/84/35/569558435.db2.gz VPNUIHFXNYUEMS-UHFFFAOYSA-N 0 0 448.523 5.196 50 0 IKAARN CC(=O)Nc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000009670954 569558471 /nfs/dbraw/zinc/55/84/71/569558471.db2.gz KBKFMQGHZOMSOL-NRFANRHFSA-N 0 0 431.923 5.342 50 0 IKAARN NC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1cccs1)c1cccc(Oc2ccccc2)c1 ZINC000009671778 569558634 /nfs/dbraw/zinc/55/86/34/569558634.db2.gz YYLOTQSOXOVQMQ-RTWAWAEBSA-N 0 0 435.549 5.004 50 0 IKAARN COc1ccc([C@H]2CCCCCN2C(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000009672273 569558781 /nfs/dbraw/zinc/55/87/81/569558781.db2.gz BGGMBNPZOCTFMO-LJQANCHMSA-N 0 0 431.458 5.208 50 0 IKAARN COc1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000009674182 569559158 /nfs/dbraw/zinc/55/91/58/569559158.db2.gz IHYSLZQNDWLYGS-UHFFFAOYSA-N 0 0 433.508 5.622 50 0 IKAARN COc1ccc(-c2nc(-c3ccc(OC)cc3)c(SCC(=O)Nc3ccccc3)[nH]2)cc1 ZINC000009674179 569559165 /nfs/dbraw/zinc/55/91/65/569559165.db2.gz CROAEGGUXXOQNY-UHFFFAOYSA-N 0 0 445.544 5.492 50 0 IKAARN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000009674177 569559183 /nfs/dbraw/zinc/55/91/83/569559183.db2.gz XXXROJADDZYWEW-UHFFFAOYSA-N 0 0 445.544 5.492 50 0 IKAARN CC(C)(C)c1ccc(CSC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)cc1 ZINC000009674250 569559189 /nfs/dbraw/zinc/55/91/89/569559189.db2.gz UJSCVTDQQSFNLG-QHCPKHFHSA-N 0 0 439.584 6.249 50 0 IKAARN COc1ccc(-c2nc(-c3ccccc3)[nH]c2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000009674239 569559193 /nfs/dbraw/zinc/55/91/93/569559193.db2.gz PVIDBSPMRGCZFK-UHFFFAOYSA-N 0 0 433.508 5.622 50 0 IKAARN CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 ZINC000009675888 569559308 /nfs/dbraw/zinc/55/93/08/569559308.db2.gz ZSJISHCVYUBOEV-UHFFFAOYSA-N 0 0 449.554 6.715 50 0 IKAARN COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 ZINC000009675870 569559315 /nfs/dbraw/zinc/55/93/15/569559315.db2.gz KCJDJVAGBRCQKS-UHFFFAOYSA-N 0 0 430.305 6.012 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000009676043 569559361 /nfs/dbraw/zinc/55/93/61/569559361.db2.gz ZKAHDWXODBSXGR-UHFFFAOYSA-N 0 0 439.515 5.883 50 0 IKAARN Fc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cc(Cl)ccc4Cl)c3c2c1 ZINC000009676072 569559363 /nfs/dbraw/zinc/55/93/63/569559363.db2.gz CWWLMNKSUWWMSC-UHFFFAOYSA-N 0 0 442.708 7.340 50 0 IKAARN CCOc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000009676017 569559371 /nfs/dbraw/zinc/55/93/71/569559371.db2.gz SDWMWXOHKRBZER-UHFFFAOYSA-N 0 0 427.935 6.910 50 0 IKAARN COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000009676031 569559374 /nfs/dbraw/zinc/55/93/74/569559374.db2.gz HHOGAIJUOHEAHJ-UHFFFAOYSA-N 0 0 425.488 5.575 50 0 IKAARN CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000009675940 569559382 /nfs/dbraw/zinc/55/93/82/569559382.db2.gz NUWTXISFRAMKOF-UHFFFAOYSA-N 0 0 435.527 6.343 50 0 IKAARN Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000009676089 569559390 /nfs/dbraw/zinc/55/93/90/569559390.db2.gz CSOLBMBWELRJJY-UHFFFAOYSA-N 0 0 432.296 6.451 50 0 IKAARN Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(Br)cc32)cc1 ZINC000009675944 569559395 /nfs/dbraw/zinc/55/93/95/569559395.db2.gz SPUSLCDQOQAUNB-UHFFFAOYSA-N 0 0 442.360 6.928 50 0 IKAARN CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2c(F)cc(F)cc32)cc1 ZINC000009676133 569559409 /nfs/dbraw/zinc/55/94/09/569559409.db2.gz LUOLVFPYOSABGR-UHFFFAOYSA-N 0 0 435.861 6.571 50 0 IKAARN CCOc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc32)cc1 ZINC000009676129 569559415 /nfs/dbraw/zinc/55/94/15/569559415.db2.gz HEAGGNOYTKHCIP-UHFFFAOYSA-N 0 0 429.470 6.534 50 0 IKAARN Cc1cccc(CSC[C@@H]2COC(c3cccn3Cc3ccc(F)cc3Cl)=N2)c1 ZINC000009676204 569559450 /nfs/dbraw/zinc/55/94/50/569559450.db2.gz WMMUOBSKMMEXNK-FQEVSTJZSA-N 0 0 428.960 5.716 50 0 IKAARN COc1cccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000009678995 569559639 /nfs/dbraw/zinc/55/96/39/569559639.db2.gz BMMGISNTBOYSGV-DEOSSOPVSA-N 0 0 429.907 5.797 50 0 IKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678992 569559643 /nfs/dbraw/zinc/55/96/43/569559643.db2.gz LOKOVPASOJEQLY-XMMPIXPASA-N 0 0 429.907 5.797 50 0 IKAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccc2ccccc21 ZINC000009678921 569559672 /nfs/dbraw/zinc/55/96/72/569559672.db2.gz VRQZGWMVQVCPBU-HHHXNRCGSA-N 0 0 441.914 5.501 50 0 IKAARN CCOc1ccc(CCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1OCC ZINC000009678199 569559677 /nfs/dbraw/zinc/55/96/77/569559677.db2.gz SPIMWTAHVWNLCI-UHFFFAOYSA-N 0 0 438.911 5.404 50 0 IKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2Cl)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679011 569559719 /nfs/dbraw/zinc/55/97/19/569559719.db2.gz PGLKVQUNWUOJBD-QHCPKHFHSA-N 0 0 434.326 6.442 50 0 IKAARN CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009679012 569559840 /nfs/dbraw/zinc/55/98/40/569559840.db2.gz VXDRYOQLTQYLRJ-RUZDIDTESA-N 0 0 427.935 6.351 50 0 IKAARN Cc1ccc(OCCOc2ccc(Cl)cc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000009679322 569559990 /nfs/dbraw/zinc/55/99/90/569559990.db2.gz CHYRAWWHLCYZRR-CJLVFECKSA-N 0 0 433.891 5.451 50 0 IKAARN CSc1cccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)c1 ZINC000009680841 569560178 /nfs/dbraw/zinc/56/01/78/569560178.db2.gz NNTSCOAAXMGMFI-UHFFFAOYSA-N 0 0 427.573 5.981 50 0 IKAARN COc1ccc(OC)c(Nc2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)c1 ZINC000009680799 569560181 /nfs/dbraw/zinc/56/01/81/569560181.db2.gz FUZKLXUNSIMFGL-QGZVFWFLSA-N 0 0 427.504 5.487 50 0 IKAARN COc1ccc(CCNC(=O)c2cc(Nc3ccccc3C)nc3ccccc32)cc1OC ZINC000009680765 569560187 /nfs/dbraw/zinc/56/01/87/569560187.db2.gz 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CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009684661 569560571 /nfs/dbraw/zinc/56/05/71/569560571.db2.gz LVBQCQVMJHDCAD-KRWDZBQOSA-N 0 0 435.380 5.193 50 0 IKAARN Cn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009685422 569560642 /nfs/dbraw/zinc/56/06/42/569560642.db2.gz GIIGGISCMUDLDF-QGZVFWFLSA-N 0 0 438.603 5.166 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1Cl ZINC000009685025 569560673 /nfs/dbraw/zinc/56/06/73/569560673.db2.gz XNPNPTGISRHVCI-IBGZPJMESA-N 0 0 428.945 5.056 50 0 IKAARN Cc1ccc(NC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)cc1Cl ZINC000009687764 569560832 /nfs/dbraw/zinc/56/08/32/569560832.db2.gz OGMZBQAOFLDODH-UHFFFAOYSA-N 0 0 437.952 5.574 50 0 IKAARN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc(F)cc1Cl ZINC000009687907 569560848 /nfs/dbraw/zinc/56/08/48/569560848.db2.gz MJXRZWQFTFVZMI-UHFFFAOYSA-N 0 0 441.915 5.404 50 0 IKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)NCC3(c4ccccc4)CCCC3)sc21 ZINC000009693089 569561125 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O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccc(N2CCCC2=O)c1 ZINC000009751574 569566036 /nfs/dbraw/zinc/56/60/36/569566036.db2.gz IYQCFFHBBMVUMU-UHFFFAOYSA-N 0 0 438.361 5.558 50 0 IKAARN CCc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2CCC(C)C)cc1 ZINC000009751398 569566043 /nfs/dbraw/zinc/56/60/43/569566043.db2.gz DAFLJEAWWCZVRB-UHFFFAOYSA-N 0 0 449.576 5.482 50 0 IKAARN Cc1ccc(C)c(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2CCC(C)C)c1 ZINC000009751294 569566067 /nfs/dbraw/zinc/56/60/67/569566067.db2.gz MYIUZMBPSKHCEU-UHFFFAOYSA-N 0 0 449.576 5.536 50 0 IKAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1C1CCCC1)Nc1ccccc1F ZINC000009752422 569566112 /nfs/dbraw/zinc/56/61/12/569566112.db2.gz VLJLDGWENZZAGX-UHFFFAOYSA-N 0 0 437.496 5.128 50 0 IKAARN Cc1cc(C)cc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C2CCCC2)c1 ZINC000009752457 569566126 /nfs/dbraw/zinc/56/61/26/569566126.db2.gz NZOSRHKOVKFZHK-UHFFFAOYSA-N 0 0 447.560 5.605 50 0 IKAARN CCCn1c(SCC(=O)Nc2cccc(SC)c2)nc2c3ccccc3oc2c1=O ZINC000009751732 569566127 /nfs/dbraw/zinc/56/61/27/569566127.db2.gz HWWZCLCNNQTMKK-UHFFFAOYSA-N 0 0 439.562 5.005 50 0 IKAARN CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c3ccccc3oc2c1=O ZINC000009751772 569566128 /nfs/dbraw/zinc/56/61/28/569566128.db2.gz OUSSAZLJFRLDRP-UHFFFAOYSA-N 0 0 435.549 5.209 50 0 IKAARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2F)c1 ZINC000009761128 569566212 /nfs/dbraw/zinc/56/62/12/569566212.db2.gz KNMDMELQWCGWHI-JOCHJYFZSA-N 0 0 425.301 5.953 50 0 IKAARN Cc1sc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(-c2nc3ccccc3s2)c1C ZINC000009762055 569566429 /nfs/dbraw/zinc/56/64/29/569566429.db2.gz NRPDBDIWYNYXEY-UHFFFAOYSA-N 0 0 442.587 5.297 50 0 IKAARN Cc1ccc(C)c(NC(=O)c2cc3ccc(O)cc3o/c2=N\Nc2ccc(Cl)cc2)c1 ZINC000009762481 569566537 /nfs/dbraw/zinc/56/65/37/569566537.db2.gz MMCIQMNFNXPZOA-COOPMVRXSA-N 0 0 433.895 5.589 50 0 IKAARN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000009763383 569566624 /nfs/dbraw/zinc/56/66/24/569566624.db2.gz WFIQFYFHDYBNDU-MFOYZWKCSA-N 0 0 430.718 6.719 50 0 IKAARN CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1 ZINC000009763560 569566634 /nfs/dbraw/zinc/56/66/34/569566634.db2.gz GDIOWGPIPMIEAP-UHFFFAOYSA-N 0 0 431.845 6.523 50 0 IKAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009764471 569566764 /nfs/dbraw/zinc/56/67/64/569566764.db2.gz GTFSYCIEVWQTBD-QGZVFWFLSA-N 0 0 441.940 5.002 50 0 IKAARN COc1ccccc1C(=O)NCCn1cc(SCc2cc(C)ccc2C)c2ccccc21 ZINC000009775761 569566975 /nfs/dbraw/zinc/56/69/75/569566975.db2.gz USCQPMFWVBARNH-UHFFFAOYSA-N 0 0 444.600 5.989 50 0 IKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc(C)cc1Br ZINC000009775682 569567004 /nfs/dbraw/zinc/56/70/04/569567004.db2.gz MRRBCNGMCGGJEB-UHFFFAOYSA-N 0 0 449.732 5.888 50 0 IKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C)cc1Br ZINC000009775676 569567005 /nfs/dbraw/zinc/56/70/05/569567005.db2.gz KMDRYNRNHKTIOA-UHFFFAOYSA-N 0 0 429.314 5.625 50 0 IKAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776127 569567033 /nfs/dbraw/zinc/56/70/33/569567033.db2.gz ISJDROHNPVWFFH-CLJLJLNGSA-N 0 0 446.591 5.321 50 0 IKAARN CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000009776140 569567074 /nfs/dbraw/zinc/56/70/74/569567074.db2.gz JCYQQOUXSPODNJ-LOSJGSFVSA-N 0 0 434.580 5.177 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)c1 ZINC000009777663 569567147 /nfs/dbraw/zinc/56/71/47/569567147.db2.gz QMCGDGPPUVQBFU-UHFFFAOYSA-N 0 0 448.954 5.832 50 0 IKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000009777606 569567160 /nfs/dbraw/zinc/56/71/60/569567160.db2.gz QTEJIVZQXMCJEM-UHFFFAOYSA-N 0 0 427.500 5.909 50 0 IKAARN CC(C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1)(c1ccccc1)c1ccccc1 ZINC000009778331 569567215 /nfs/dbraw/zinc/56/72/15/569567215.db2.gz AFDVZSIYCTXCRO-UHFFFAOYSA-N 0 0 436.486 6.579 50 0 IKAARN CCOC(=O)c1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 ZINC000009778326 569567246 /nfs/dbraw/zinc/56/72/46/569567246.db2.gz XRCBYCLYMKJOKH-UHFFFAOYSA-N 0 0 435.545 5.635 50 0 IKAARN O=C(CCCSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc(Br)cc1 ZINC000009778564 569567249 /nfs/dbraw/zinc/56/72/49/569567249.db2.gz PMVYGAACQSBWCV-UHFFFAOYSA-N 0 0 442.338 5.736 50 0 IKAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009779083 569567376 /nfs/dbraw/zinc/56/73/76/569567376.db2.gz UDINIVBPEIBXTR-SFHVURJKSA-N 0 0 436.512 5.172 50 0 IKAARN C[C@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)C(=O)N1CCCCCC1 ZINC000009780368 569567510 /nfs/dbraw/zinc/56/75/10/569567510.db2.gz XNOCDWNXBJQUFB-LBPRGKRZSA-N 0 0 430.521 5.184 50 0 IKAARN Cc1ccc(-n2c(/C=C/c3cccc(Br)c3)nc3ccccc3c2=O)cc1C ZINC000009781562 569567599 /nfs/dbraw/zinc/56/75/99/569567599.db2.gz WMISZDXRFBZKON-ACCUITESSA-N 0 0 431.333 5.935 50 0 IKAARN C[C@H](c1nnc(SCC(=O)c2ccc3ccccc3c2)n1-c1ccc(F)cc1)N(C)C ZINC000009781563 569567632 /nfs/dbraw/zinc/56/76/32/569567632.db2.gz ULMINKSZCQZRGA-MRXNPFEDSA-N 0 0 434.540 5.157 50 0 IKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2Cl)NC(=O)N1C1CC1 ZINC000009781890 569567639 /nfs/dbraw/zinc/56/76/39/569567639.db2.gz QWOWPBTUARXIIX-IBGZPJMESA-N 0 0 449.860 5.500 50 0 IKAARN Clc1ccccc1-c1nnc(SCc2nc(-c3ccsc3)no2)n1C1CCCC1 ZINC000009783341 569567797 /nfs/dbraw/zinc/56/77/97/569567797.db2.gz HYWLYXKXOGOPOJ-UHFFFAOYSA-N 0 0 443.985 6.117 50 0 IKAARN O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009785333 569567916 /nfs/dbraw/zinc/56/79/16/569567916.db2.gz MUDBIIJHOSYPOR-UHFFFAOYSA-N 0 0 436.537 5.181 50 0 IKAARN CCOc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000009790537 569568157 /nfs/dbraw/zinc/56/81/57/569568157.db2.gz JGKMBUHRLLGZNG-OAQYLSRUSA-N 0 0 432.501 5.200 50 0 IKAARN Fc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 ZINC000009793714 569568308 /nfs/dbraw/zinc/56/83/08/569568308.db2.gz NQARRYIQOVQPND-UHFFFAOYSA-N 0 0 428.583 5.820 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 ZINC000009794110 569568364 /nfs/dbraw/zinc/56/83/64/569568364.db2.gz BZKDEGUIMZYXIE-INIZCTEOSA-N 0 0 442.544 5.375 50 0 IKAARN C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C)c1ccc(-c2ccccc2)cc1 ZINC000009794670 569568407 /nfs/dbraw/zinc/56/84/07/569568407.db2.gz PVEJBUOVTXRWRX-KRWDZBQOSA-N 0 0 448.617 5.104 50 0 IKAARN Cc1cc2sc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c(C)c1 ZINC000009797793 569568498 /nfs/dbraw/zinc/56/84/98/569568498.db2.gz IVMZIOGKGGYWPK-UHFFFAOYSA-N 0 0 449.605 5.161 50 0 IKAARN CC(C)C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000009798512 569568555 /nfs/dbraw/zinc/56/85/55/569568555.db2.gz CUXWJCPBCKYVMJ-NRFANRHFSA-N 0 0 438.572 5.415 50 0 IKAARN COc1ccc(-c2csc(NC(=O)c3sc(-c4ccsc4)nc3C)n2)cc1F ZINC000009803133 569568638 /nfs/dbraw/zinc/56/86/38/569568638.db2.gz QDYAHLIYXDOWBL-UHFFFAOYSA-N 0 0 431.539 5.704 50 0 IKAARN Nc1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)C[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000009805326 569568666 /nfs/dbraw/zinc/56/86/66/569568666.db2.gz HEDRGVJCZWTCTD-KGLIPLIRSA-N 0 0 429.138 5.620 50 0 IKAARN Nc1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)C[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000009805327 569568682 /nfs/dbraw/zinc/56/86/82/569568682.db2.gz HEDRGVJCZWTCTD-ZIAGYGMSSA-N 0 0 429.138 5.620 50 0 IKAARN COc1cc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000009805339 569568718 /nfs/dbraw/zinc/56/87/18/569568718.db2.gz FKSUJIBMRVYTBN-WSDLNYQXSA-N 0 0 447.918 5.889 50 0 IKAARN CCCCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 ZINC000009805462 569568741 /nfs/dbraw/zinc/56/87/41/569568741.db2.gz FPDZYTUJTPOERS-XIEYBQDHSA-N 0 0 427.500 5.789 50 0 IKAARN O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 ZINC000009805680 569568764 /nfs/dbraw/zinc/56/87/64/569568764.db2.gz RHWCHHDFYLQYIH-UHFFFAOYSA-N 0 0 443.286 5.640 50 0 IKAARN Cc1ccc(C)c(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)c1 ZINC000009805877 569568800 /nfs/dbraw/zinc/56/88/00/569568800.db2.gz UKHDLKVVQKPJSR-UHFFFAOYSA-N 0 0 440.259 5.845 50 0 IKAARN Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000009805790 569568804 /nfs/dbraw/zinc/56/88/04/569568804.db2.gz NFCYQDDRPGYVPG-UHFFFAOYSA-N 0 0 428.333 6.436 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)NCc3ccc(C)o3)ccc21 ZINC000009805898 569568821 /nfs/dbraw/zinc/56/88/21/569568821.db2.gz LKOSAURJHJLPRS-KRWDZBQOSA-N 0 0 431.536 5.387 50 0 IKAARN CCc1ccc(N(C(C)=O)c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 ZINC000009812351 569569076 /nfs/dbraw/zinc/56/90/76/569569076.db2.gz FTRQRSQAQXDDCE-UHFFFAOYSA-N 0 0 427.599 5.000 50 0 IKAARN Cc1sc2[nH]c([C@@H](C)Sc3nnc(-c4cccs4)n3C3CC3)nc(=O)c2c1C ZINC000009813229 569569103 /nfs/dbraw/zinc/56/91/03/569569103.db2.gz BDLXMQUUBOEJHD-LLVKDONJSA-N 0 0 429.596 5.110 50 0 IKAARN Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)cc1C ZINC000009815731 569569233 /nfs/dbraw/zinc/56/92/33/569569233.db2.gz QYGMDIKGBNHSLL-UHFFFAOYSA-N 0 0 439.610 5.270 50 0 IKAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(OC)c(F)c1 ZINC000009820042 569569403 /nfs/dbraw/zinc/56/94/03/569569403.db2.gz BFNMKJGJHWNVPM-UHFFFAOYSA-N 0 0 446.598 5.640 50 0 IKAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000009821801 569569502 /nfs/dbraw/zinc/56/95/02/569569502.db2.gz MXSXOEAJGHLCHT-FQEVSTJZSA-N 0 0 448.931 5.108 50 0 IKAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1cc(C)ccc1C ZINC000009824796 569569694 /nfs/dbraw/zinc/56/96/94/569569694.db2.gz NEICFBIOLDKWGF-UHFFFAOYSA-N 0 0 428.579 5.105 50 0 IKAARN O=C(c1cccs1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 ZINC000009829690 569570099 /nfs/dbraw/zinc/57/00/99/569570099.db2.gz BSMZXLXPKQPFNB-UHFFFAOYSA-N 0 0 430.352 5.362 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc21 ZINC000009829778 569570152 /nfs/dbraw/zinc/57/01/52/569570152.db2.gz HCBGBLAAFXRHTJ-UHFFFAOYSA-N 0 0 445.953 5.270 50 0 IKAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CCSc3ccccc3)nc21 ZINC000009829764 569570178 /nfs/dbraw/zinc/57/01/78/569570178.db2.gz GZUBAEROYQJSSM-UHFFFAOYSA-N 0 0 449.601 5.724 50 0 IKAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000009829779 569570188 /nfs/dbraw/zinc/57/01/88/569570188.db2.gz REUBZOPRGYADCY-JXMROGBWSA-N 0 0 437.546 5.017 50 0 IKAARN CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 ZINC000009832163 569570282 /nfs/dbraw/zinc/57/02/82/569570282.db2.gz HEMVGBZDTJYRRQ-MAUKXSAKSA-N 0 0 426.611 5.480 50 0 IKAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000009832085 569570283 /nfs/dbraw/zinc/57/02/83/569570283.db2.gz KZQOJLZYVCWXRF-UHFFFAOYSA-N 0 0 440.572 5.748 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2ccccc2c1 ZINC000009831927 569570292 /nfs/dbraw/zinc/57/02/92/569570292.db2.gz MFQGGTNIUWQWMZ-GOSISDBHSA-N 0 0 442.588 5.327 50 0 IKAARN O=C([O-])c1c(C[NH2+]CCCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000009833308 569570312 /nfs/dbraw/zinc/57/03/12/569570312.db2.gz JVVKQHHSDADWSA-UHFFFAOYSA-N 0 0 432.951 5.764 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+][C@H]3CCCc4ccccc43)c2C(=O)[O-])cc1 ZINC000009833353 569570323 /nfs/dbraw/zinc/57/03/23/569570323.db2.gz NUCFGUQTOAFRAK-SANMLTNESA-N 0 0 436.555 6.198 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3cccc(OC)c3)c2C(=O)[O-])cc1 ZINC000009833347 569570353 /nfs/dbraw/zinc/57/03/53/569570353.db2.gz XNKRVVLGHVMHFF-UHFFFAOYSA-N 0 0 426.516 5.329 50 0 IKAARN C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000009833966 569570449 /nfs/dbraw/zinc/57/04/49/569570449.db2.gz IKWNHCOSCFQMBB-QGZVFWFLSA-N 0 0 446.601 5.061 50 0 IKAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N1c2ccccc2C(c2ccccc2)=N[C@H](C)C1=O ZINC000009834021 569570501 /nfs/dbraw/zinc/57/05/01/569570501.db2.gz AAAUIKUIDRZZQT-VGSWGCGISA-N 0 0 445.950 5.330 50 0 IKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccccc3)c2c1 ZINC000009834883 569570572 /nfs/dbraw/zinc/57/05/72/569570572.db2.gz LCYYDZWCPKWZKD-UHFFFAOYSA-N 0 0 438.936 5.863 50 0 IKAARN Cc1cccc(-n2c(SCC(=O)Nc3ccccc3)nc3c4ccccc4oc3c2=O)c1 ZINC000009834274 569570599 /nfs/dbraw/zinc/57/05/99/569570599.db2.gz GUAKBPISSWWWJI-UHFFFAOYSA-N 0 0 441.512 5.171 50 0 IKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000009835077 569570628 /nfs/dbraw/zinc/57/06/28/569570628.db2.gz JKLNONCNFOTWPO-GFCCVEGCSA-N 0 0 439.491 5.159 50 0 IKAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000009835715 569570698 /nfs/dbraw/zinc/57/06/98/569570698.db2.gz HPJGNISMGIASPR-UHFFFAOYSA-N 0 0 431.542 5.218 50 0 IKAARN Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)s1 ZINC000009841689 569570913 /nfs/dbraw/zinc/57/09/13/569570913.db2.gz ZHEFJWMMTKXYFF-NSHDSACASA-N 0 0 428.337 5.205 50 0 IKAARN CCc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000009847464 569571143 /nfs/dbraw/zinc/57/11/43/569571143.db2.gz IFROUQWRYYWGTR-UHFFFAOYSA-N 0 0 429.541 5.423 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000009849747 569571288 /nfs/dbraw/zinc/57/12/88/569571288.db2.gz NQMGOVUZBCMEEH-UHFFFAOYSA-N 0 0 443.429 5.490 50 0 IKAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4OC)C3)sc2c1 ZINC000009848108 569571219 /nfs/dbraw/zinc/57/12/19/569571219.db2.gz YVJFQPQARZZCLV-CQSZACIVSA-N 0 0 445.972 5.212 50 0 IKAARN O=C(Nc1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009849622 569571294 /nfs/dbraw/zinc/57/12/94/569571294.db2.gz KRXLWFMNQFIAQU-DEOSSOPVSA-N 0 0 436.964 5.409 50 0 IKAARN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000009849668 569571305 /nfs/dbraw/zinc/57/13/05/569571305.db2.gz FAAJXKBALPRZJF-UHFFFAOYSA-N 0 0 433.423 6.034 50 0 IKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccccc3F)cc2)cc1 ZINC000009850224 569571374 /nfs/dbraw/zinc/57/13/74/569571374.db2.gz IEYZLRULLWJQLI-UHFFFAOYSA-N 0 0 449.551 5.502 50 0 IKAARN CN(Cc1ccccc1)C(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000009851198 569571424 /nfs/dbraw/zinc/57/14/24/569571424.db2.gz SQDKCGNJCMJJPT-PZJWPPBQSA-N 0 0 447.000 5.350 50 0 IKAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000009856207 569571539 /nfs/dbraw/zinc/57/15/39/569571539.db2.gz UVGPCKQKSNYPGY-UHFFFAOYSA-N 0 0 444.918 5.087 50 0 IKAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000009856200 569571571 /nfs/dbraw/zinc/57/15/71/569571571.db2.gz KNQMKPQMQIUOSY-UHFFFAOYSA-N 0 0 444.918 5.141 50 0 IKAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)cc1 ZINC000009855766 569571572 /nfs/dbraw/zinc/57/15/72/569571572.db2.gz HUTYCVJBMGJJPE-UHFFFAOYSA-N 0 0 438.527 5.050 50 0 IKAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3ccccc3c2=O)cc1 ZINC000009855640 569571573 /nfs/dbraw/zinc/57/15/73/569571573.db2.gz AAYNIWRDJAYRDA-UHFFFAOYSA-N 0 0 444.918 5.087 50 0 IKAARN Fc1cccc(-c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2cc(Cl)ccc23)c1 ZINC000009858876 569571757 /nfs/dbraw/zinc/57/17/57/569571757.db2.gz MNQLPHUGFHQYLL-UHFFFAOYSA-N 0 0 447.857 5.078 50 0 IKAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)on1 ZINC000009864023 569572112 /nfs/dbraw/zinc/57/21/12/569572112.db2.gz OELKFAKMOXSQAF-UHFFFAOYSA-N 0 0 436.512 5.452 50 0 IKAARN COc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)n2CC(C)C)cc1 ZINC000009867026 569572200 /nfs/dbraw/zinc/57/22/00/569572200.db2.gz WFKZKBNKLIZETP-MRXNPFEDSA-N 0 0 435.553 5.513 50 0 IKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4c(C)cc(C)cc4Cl)c(=O)c23)cc1 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CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1 ZINC000009959233 569575115 /nfs/dbraw/zinc/57/51/15/569575115.db2.gz BLWPVALYKUUCRH-UHFFFAOYSA-N 0 0 448.450 5.240 50 0 IKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2F)cc1 ZINC000009959229 569575140 /nfs/dbraw/zinc/57/51/40/569575140.db2.gz JHPHRGCOXLSRLP-UHFFFAOYSA-N 0 0 448.450 5.240 50 0 IKAARN Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(F)c3)c2=O)cc1C ZINC000009959613 569575153 /nfs/dbraw/zinc/57/51/53/569575153.db2.gz LQQRQNUNIMLCBL-UHFFFAOYSA-N 0 0 430.504 5.171 50 0 IKAARN O=c1c2sc3ccccc3c2n(Cc2ccc(F)cc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000009959480 569575160 /nfs/dbraw/zinc/57/51/60/569575160.db2.gz AJIOOSQFLLDLKL-UHFFFAOYSA-N 0 0 436.895 5.208 50 0 IKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1ccc2c(c1)OCCCO2 ZINC000009959655 569575167 /nfs/dbraw/zinc/57/51/67/569575167.db2.gz VHOHXPWUCSVCHT-UHFFFAOYSA-N 0 0 449.557 5.250 50 0 IKAARN Cc1cccc(Cn2c3c4ccccc4sc3c(=O)n(-c3cccc(Cl)c3)c2=O)c1 ZINC000009959788 569575204 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Cc1ccc(C)c2c1Sc1ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc1N=C2C ZINC000009963321 569575768 /nfs/dbraw/zinc/57/57/68/569575768.db2.gz SHCDBTUTPWGZOU-IBGZPJMESA-N 0 0 428.601 6.660 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000009968989 569575946 /nfs/dbraw/zinc/57/59/46/569575946.db2.gz STBNVIPZXCHYCU-UHFFFAOYSA-N 0 0 434.923 5.340 50 0 IKAARN CSc1ccc(CC[NH2+]Cc2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009968981 569575958 /nfs/dbraw/zinc/57/59/58/569575958.db2.gz WKNMEBXEXBYKOZ-UHFFFAOYSA-N 0 0 430.573 5.442 50 0 IKAARN Cc1ccc(C)c(Cn2c3ccccc3c(C[NH2+]Cc3ccc(Cl)cc3)c2C(=O)[O-])c1 ZINC000009969038 569575968 /nfs/dbraw/zinc/57/59/68/569575968.db2.gz HQNURXXTAQZMSK-UHFFFAOYSA-N 0 0 432.951 5.948 50 0 IKAARN COc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3Cl)c2C(=O)[O-])cc1 ZINC000009968982 569575979 /nfs/dbraw/zinc/57/59/79/569575979.db2.gz JCBPJZXXGKNRBZ-UHFFFAOYSA-N 0 0 434.923 5.340 50 0 IKAARN O=C([O-])c1c(C[NH2+]CCCSC2CCCCC2)c2ccccc2n1Cc1ccccc1 ZINC000009968976 569575982 /nfs/dbraw/zinc/57/59/82/569575982.db2.gz KIXIQYKBZLECIM-UHFFFAOYSA-N 0 0 436.621 5.933 50 0 IKAARN COc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(Cl)cc3)c2C(=O)[O-])c1 ZINC000009969010 569575989 /nfs/dbraw/zinc/57/59/89/569575989.db2.gz RNTYLUXKOMIJGB-UHFFFAOYSA-N 0 0 434.923 5.340 50 0 IKAARN CCn1c2ccccc2c2cc(NC(=O)Cn3ncc4c3-c3cc(C)ccc3OC4)ccc21 ZINC000009969111 569576008 /nfs/dbraw/zinc/57/60/08/569576008.db2.gz LKMKACYNGKIHSO-UHFFFAOYSA-N 0 0 436.515 5.517 50 0 IKAARN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000009969075 569576025 /nfs/dbraw/zinc/57/60/25/569576025.db2.gz BIOCZPPVUHTBMY-VFNWGFHPSA-N 0 0 428.935 5.849 50 0 IKAARN C[C@H]1CCCC[C@H]1[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000009969078 569576028 /nfs/dbraw/zinc/57/60/28/569576028.db2.gz BIOCZPPVUHTBMY-YCRPNKLZSA-N 0 0 428.935 5.849 50 0 IKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000009969102 569576034 /nfs/dbraw/zinc/57/60/34/569576034.db2.gz WRKFLZUQAYUWPF-UHFFFAOYSA-N 0 0 430.935 5.974 50 0 IKAARN CCOc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1 ZINC000009970150 569576154 /nfs/dbraw/zinc/57/61/54/569576154.db2.gz YKUZVRAVNCBNBQ-QHCPKHFHSA-N 0 0 432.545 5.294 50 0 IKAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)c1 ZINC000009971348 569576283 /nfs/dbraw/zinc/57/62/83/569576283.db2.gz UTSAQGPYWGMZJF-UHFFFAOYSA-N 0 0 426.310 5.354 50 0 IKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1[C@@H](O)c1ccc(Cl)cc1)OCCO2 ZINC000009972070 569576325 /nfs/dbraw/zinc/57/63/25/569576325.db2.gz LEHKLISOBDGNCD-NRFANRHFSA-N 0 0 445.302 5.490 50 0 IKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1Cl ZINC000009980368 569576419 /nfs/dbraw/zinc/57/64/19/569576419.db2.gz CGLWZCZYYSOOBC-UHFFFAOYSA-N 0 0 440.912 5.432 50 0 IKAARN COc1ccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c(OC)c1 ZINC000009980754 569576507 /nfs/dbraw/zinc/57/65/07/569576507.db2.gz BQTQAQSIYHNQNF-UHFFFAOYSA-N 0 0 444.556 5.984 50 0 IKAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccccc1CCc1ccccc1 ZINC000009983267 569576591 /nfs/dbraw/zinc/57/65/91/569576591.db2.gz WIRCCSUPSSXGJZ-UHFFFAOYSA-N 0 0 445.950 5.024 50 0 IKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1cccc(F)c1 ZINC000009983788 569576598 /nfs/dbraw/zinc/57/65/98/569576598.db2.gz RQYCXKYXXLMNRL-UHFFFAOYSA-N 0 0 430.574 5.306 50 0 IKAARN Cc1ccc(-c2csc3ncn(Cc4cc(Cl)cc5c4OCOC5)c(=O)c23)s1 ZINC000009986304 569576717 /nfs/dbraw/zinc/57/67/17/569576717.db2.gz DCSFVZBIVBJFPS-UHFFFAOYSA-N 0 0 430.938 5.063 50 0 IKAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1-c1ccccc1 ZINC000009987455 569576792 /nfs/dbraw/zinc/57/67/92/569576792.db2.gz BVUPCQUHKCACRK-UHFFFAOYSA-N 0 0 432.574 5.548 50 0 IKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 ZINC000009988337 569576859 /nfs/dbraw/zinc/57/68/59/569576859.db2.gz RSYCKXJVIPFJJS-GOSISDBHSA-N 0 0 446.551 5.102 50 0 IKAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 ZINC000009988992 569576862 /nfs/dbraw/zinc/57/68/62/569576862.db2.gz TWCJVUKTBVYOSE-UHFFFAOYSA-N 0 0 426.611 5.475 50 0 IKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000009988988 569576881 /nfs/dbraw/zinc/57/68/81/569576881.db2.gz GBOKYDFAABIVIS-UHFFFAOYSA-N 0 0 440.638 5.783 50 0 IKAARN CCN(CC)C(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000009994667 569576957 /nfs/dbraw/zinc/57/69/57/569576957.db2.gz LPCBKVKUKSKMQD-MRXNPFEDSA-N 0 0 447.044 6.287 50 0 IKAARN CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000009994586 569576962 /nfs/dbraw/zinc/57/69/62/569576962.db2.gz VMHJTJKWRBGZEP-UHFFFAOYSA-N 0 0 443.565 5.796 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2ccccc2)C[C@H](C(C)(C)C)CC3)C1 ZINC000009994704 569576974 /nfs/dbraw/zinc/57/69/74/569576974.db2.gz WHHNCYSMALZNNE-IEBWSBKVSA-N 0 0 438.637 6.024 50 0 IKAARN C[C@@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2ccccc2)C[C@@H](C(C)(C)C)CC3)C1 ZINC000009994709 569577015 /nfs/dbraw/zinc/57/70/15/569577015.db2.gz WHHNCYSMALZNNE-MJGOQNOKSA-N 0 0 438.637 6.024 50 0 IKAARN COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc3ccc(C)cc3)n2)cc1 ZINC000009994826 569577037 /nfs/dbraw/zinc/57/70/37/569577037.db2.gz ABBKAUUHJROMQQ-UHFFFAOYSA-N 0 0 429.549 6.135 50 0 IKAARN O=c1c2c3c(sc2nc(Cc2ccccc2)n1Cc1c(F)cccc1Cl)CCCC3 ZINC000010013049 569577052 /nfs/dbraw/zinc/57/70/52/569577052.db2.gz GMUGHBDQBKIHJD-UHFFFAOYSA-N 0 0 438.955 5.768 50 0 IKAARN Cc1ccc(Oc2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000010013450 569577079 /nfs/dbraw/zinc/57/70/79/569577079.db2.gz DBZOXYAHPCKLMB-DEOSSOPVSA-N 0 0 442.515 5.437 50 0 IKAARN COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc(C)cc3)C2)cc1OC ZINC000010013865 569577106 /nfs/dbraw/zinc/57/71/06/569577106.db2.gz DFIROOVXGPBIEQ-JOCHJYFZSA-N 0 0 434.923 5.657 50 0 IKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000010013882 569577119 /nfs/dbraw/zinc/57/71/19/569577119.db2.gz GRPBMTAWHGNVPH-REWPJTCUSA-N 0 0 425.315 6.244 50 0 IKAARN COc1ccc(-c2oc3ncnc(NCc4ccco4)c3c2-c2ccc(OC)cc2)cc1 ZINC000010013874 569577122 /nfs/dbraw/zinc/57/71/22/569577122.db2.gz UZOSHPCXDHMIIZ-UHFFFAOYSA-N 0 0 427.460 5.779 50 0 IKAARN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000010015596 569577161 /nfs/dbraw/zinc/57/71/61/569577161.db2.gz ZIUKKSNNTIRABD-QGZVFWFLSA-N 0 0 431.517 5.957 50 0 IKAARN Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000010020958 569577182 /nfs/dbraw/zinc/57/71/82/569577182.db2.gz FPYYPOXIEHQRCP-UHFFFAOYSA-N 0 0 425.916 5.568 50 0 IKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccc(OC)cc1 ZINC000010022797 569577265 /nfs/dbraw/zinc/57/72/65/569577265.db2.gz DWPPGCZUOZFHMX-UHFFFAOYSA-N 0 0 427.547 5.331 50 0 IKAARN COc1ccccc1-c1nnc(SCc2c(C)noc2C)n1-c1ccc(Cl)cc1 ZINC000010022309 569577285 /nfs/dbraw/zinc/57/72/85/569577285.db2.gz RBOJODZGQNRSQR-UHFFFAOYSA-N 0 0 426.929 5.493 50 0 IKAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2cccc3ccccc32)cc1Cl ZINC000010037342 569577441 /nfs/dbraw/zinc/57/74/41/569577441.db2.gz MWZWWGHQGDXIQW-MRXNPFEDSA-N 0 0 436.968 5.352 50 0 IKAARN COc1ccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl ZINC000010037785 569577470 /nfs/dbraw/zinc/57/74/70/569577470.db2.gz SADSGKQSOKGVBX-DEOSSOPVSA-N 0 0 449.938 5.267 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(Cl)ccc(C)c3Cl)o2)cc1 ZINC000010045086 569577482 /nfs/dbraw/zinc/57/74/82/569577482.db2.gz WUGKEFLZJHZTLQ-UHFFFAOYSA-N 0 0 447.318 5.380 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 ZINC000010045125 569577488 /nfs/dbraw/zinc/57/74/88/569577488.db2.gz DXRYASHBVDHSJR-AWEZNQCLSA-N 0 0 447.318 5.460 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 ZINC000010045095 569577521 /nfs/dbraw/zinc/57/75/21/569577521.db2.gz VQCRGBSMXSKXCH-UHFFFAOYSA-N 0 0 433.291 5.071 50 0 IKAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 ZINC000010045101 569577522 /nfs/dbraw/zinc/57/75/22/569577522.db2.gz KVKZUZJHQCGKJX-UHFFFAOYSA-N 0 0 433.291 5.071 50 0 IKAARN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000010186545 569578366 /nfs/dbraw/zinc/57/83/66/569578366.db2.gz IGEIXASZRLJFBO-UHFFFAOYSA-N 0 0 441.384 5.104 50 0 IKAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)CCSc3ccc(C)cc3)nc2c1 ZINC000010187599 569578654 /nfs/dbraw/zinc/57/86/54/569578654.db2.gz SGFVZNBGBJULAN-UHFFFAOYSA-N 0 0 449.601 5.724 50 0 IKAARN COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(C(F)(F)F)c3)sc2c1 ZINC000010187616 569578672 /nfs/dbraw/zinc/57/86/72/569578672.db2.gz NYNZZWQERVMDAR-UHFFFAOYSA-N 0 0 443.450 5.566 50 0 IKAARN Cc1cccc(C)c1OCc1nnc(SC[C@@H](O)c2ccccc2)n1-c1ccccc1 ZINC000010193091 569578897 /nfs/dbraw/zinc/57/88/97/569578897.db2.gz JEWQKYLOMLWXMC-JOCHJYFZSA-N 0 0 431.561 5.289 50 0 IKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000010214354 569579175 /nfs/dbraw/zinc/57/91/75/569579175.db2.gz JKWXEDVATNAXFY-DEOSSOPVSA-N 0 0 425.532 5.144 50 0 IKAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000010222675 569579213 /nfs/dbraw/zinc/57/92/13/569579213.db2.gz LIFZOKFKLQEOGJ-UHFFFAOYSA-N 0 0 439.993 6.093 50 0 IKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccco2)cc1 ZINC000010215108 569579242 /nfs/dbraw/zinc/57/92/42/569579242.db2.gz LNTNLAJINDHWHT-DENIHFKCSA-N 0 0 439.309 5.683 50 0 IKAARN O=C(CCc1ccccc1)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2 ZINC000010233240 569579561 /nfs/dbraw/zinc/57/95/61/569579561.db2.gz UOTCPBYZOWGNKR-UHFFFAOYSA-N 0 0 427.456 5.006 50 0 IKAARN CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3ccccc3c2)cc1 ZINC000010245442 569579725 /nfs/dbraw/zinc/57/97/25/569579725.db2.gz LMFQNNVIWJSWKL-UHFFFAOYSA-N 0 0 434.495 6.653 50 0 IKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(OC)cc1 ZINC000010245760 569579738 /nfs/dbraw/zinc/57/97/38/569579738.db2.gz IYQKVNNMVILVMM-UHFFFAOYSA-N 0 0 430.460 5.345 50 0 IKAARN Cc1cccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)n2C)c1 ZINC000010240662 569579745 /nfs/dbraw/zinc/57/97/45/569579745.db2.gz POPMYJSTKJNRHA-UHFFFAOYSA-N 0 0 442.588 5.131 50 0 IKAARN Cc1ccn2cc(-c3ccc(NC(=O)C4c5ccccc5Oc5ccccc54)cc3)nc2c1 ZINC000010272027 569580103 /nfs/dbraw/zinc/58/01/03/569580103.db2.gz DKOQZZPFJRSKRE-UHFFFAOYSA-N 0 0 431.495 6.186 50 0 IKAARN C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000010273606 569580282 /nfs/dbraw/zinc/58/02/82/569580282.db2.gz RCOPXPDTZIMCKL-QGZVFWFLSA-N 0 0 449.532 5.047 50 0 IKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)c(C)c1 ZINC000010273935 569580305 /nfs/dbraw/zinc/58/03/05/569580305.db2.gz OUBCOSBDOMHTJS-UHFFFAOYSA-N 0 0 431.923 5.453 50 0 IKAARN CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1cccs1 ZINC000010303204 569580623 /nfs/dbraw/zinc/58/06/23/569580623.db2.gz RBHAHDXFQONSQV-UHFFFAOYSA-N 0 0 447.800 5.718 50 0 IKAARN O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccc(F)cc1 ZINC000071768730 569580797 /nfs/dbraw/zinc/58/07/97/569580797.db2.gz BPWFKBURDOHCSC-UHFFFAOYSA-N 0 0 434.920 5.730 50 0 IKAARN O=c1c2sccc2nc(SCc2ccccc2Cl)n1CCc1ccc(Cl)cc1 ZINC000071768758 569580805 /nfs/dbraw/zinc/58/08/05/569580805.db2.gz WHNIGQUAKJXRQK-UHFFFAOYSA-N 0 0 447.412 6.300 50 0 IKAARN Cc1ccccc1-n1c(SCc2nc(-c3ccccc3)no2)nc2ccccc2c1=O ZINC000010316153 569580928 /nfs/dbraw/zinc/58/09/28/569580928.db2.gz GPZXPOINDIYXFJ-UHFFFAOYSA-N 0 0 426.501 5.036 50 0 IKAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(C(C)C)cc4)ccc32)cc1 ZINC000010327578 569581007 /nfs/dbraw/zinc/58/10/07/569581007.db2.gz YLCCVFQIBJWYAG-UHFFFAOYSA-N 0 0 434.561 5.122 50 0 IKAARN O=C(NCc1ccco1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000071798592 569581534 /nfs/dbraw/zinc/58/15/34/569581534.db2.gz PTGXDCPHUJLTGA-UHFFFAOYSA-N 0 0 430.233 5.311 50 0 IKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000010372617 569581567 /nfs/dbraw/zinc/58/15/67/569581567.db2.gz KOTFSJJJKAICIN-LJQANCHMSA-N 0 0 432.549 5.018 50 0 IKAARN COc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc21 ZINC000010381613 569581688 /nfs/dbraw/zinc/58/16/88/569581688.db2.gz FWYKBPOSVWKLFB-UHFFFAOYSA-N 0 0 446.985 5.262 50 0 IKAARN COc1cc(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC ZINC000010421441 569581993 /nfs/dbraw/zinc/58/19/93/569581993.db2.gz UXEXQIQAKCEVDC-UHFFFAOYSA-N 0 0 432.476 5.092 50 0 IKAARN CC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000010423593 569582042 /nfs/dbraw/zinc/58/20/42/569582042.db2.gz QQQPJQVEOGKENL-DEOSSOPVSA-N 0 0 434.967 5.613 50 0 IKAARN Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nc3ccccc3c2=O)cc1 ZINC000010442613 569582236 /nfs/dbraw/zinc/58/22/36/569582236.db2.gz XCKYPVBFYXLIAN-UHFFFAOYSA-N 0 0 426.501 5.036 50 0 IKAARN CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3[C@H](CC)c3ccccc3)n2)cc1 ZINC000071844214 569582364 /nfs/dbraw/zinc/58/23/64/569582364.db2.gz ZXJKIBLFDXDDCM-PKTZIBPZSA-N 0 0 433.552 5.253 50 0 IKAARN FC(F)(F)c1ccc(-c2noc(CNc3cc4c(cc3Cl)OCCCO4)n2)cc1 ZINC000071848286 569582429 /nfs/dbraw/zinc/58/24/29/569582429.db2.gz FOGSSQBSGDUBQA-UHFFFAOYSA-N 0 0 425.794 5.182 50 0 IKAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000071851111 569582473 /nfs/dbraw/zinc/58/24/73/569582473.db2.gz YPGJRPXMYQFLDQ-NHCUHLMSSA-N 0 0 449.513 5.754 50 0 IKAARN COc1ccc(-c2nc(CSCC(=O)Nc3ccc(Br)cc3)cs2)cc1 ZINC000071855217 569582524 /nfs/dbraw/zinc/58/25/24/569582524.db2.gz KYSURKBPACNLDU-UHFFFAOYSA-N 0 0 449.395 5.453 50 0 IKAARN Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000010493584 569582556 /nfs/dbraw/zinc/58/25/56/569582556.db2.gz UCBNBGWFXJGQNM-UHFFFAOYSA-N 0 0 437.252 6.774 50 0 IKAARN C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000071869070 569582587 /nfs/dbraw/zinc/58/25/87/569582587.db2.gz VTMSXXPZLXVOOR-MRXNPFEDSA-N 0 0 440.952 5.282 50 0 IKAARN Cc1cc(Nc2cccc(Cl)c2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000010493607 569582594 /nfs/dbraw/zinc/58/25/94/569582594.db2.gz QZZJAJJCGNHPFQ-UHFFFAOYSA-N 0 0 437.252 6.774 50 0 IKAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccccc1Br ZINC000010507106 569582601 /nfs/dbraw/zinc/58/26/01/569582601.db2.gz OXBCKTWCGCCPDA-UHFFFAOYSA-N 0 0 425.286 5.287 50 0 IKAARN O=C(Nc1nc2ccccc2n1CCOc1ccc(Br)cc1)c1cccs1 ZINC000018144925 569583939 /nfs/dbraw/zinc/58/39/39/569583939.db2.gz XXVJAYBDNBMGPV-UHFFFAOYSA-N 0 0 442.338 5.192 50 0 IKAARN O=C(Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1)c1cccs1 ZINC000606422454 569583955 /nfs/dbraw/zinc/58/39/55/569583955.db2.gz KYAZZKGVCQCCSW-UHFFFAOYSA-N 0 0 447.520 5.511 50 0 IKAARN O=C(Nc1nc2ccccc2s1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002376350 569584072 /nfs/dbraw/zinc/58/40/72/569584072.db2.gz UJINYNQGKPUNRW-UHFFFAOYSA-N 0 0 442.327 6.108 50 0 IKAARN O=C(c1ccccc1F)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 ZINC000575443285 569584131 /nfs/dbraw/zinc/58/41/31/569584131.db2.gz SIHUCVQWOYDNBJ-UHFFFAOYSA-N 0 0 441.293 6.505 50 0 IKAARN COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2cccc3ccccc32)cc1 ZINC000009272071 569584508 /nfs/dbraw/zinc/58/45/08/569584508.db2.gz LWGRUHPYHQUXED-UHFFFAOYSA-N 0 0 437.499 5.529 50 0 IKAARN COc1ccccc1[C@@H]1CC(c2ccsc2)=NN1C(=O)c1ccc(Br)o1 ZINC000077160636 569585783 /nfs/dbraw/zinc/58/57/83/569585783.db2.gz VUJMONJBBAOSMX-HNNXBMFYSA-N 0 0 431.311 5.104 50 0 IKAARN O=C(N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)C1(c2cccs2)CCCC1 ZINC000077191065 569585922 /nfs/dbraw/zinc/58/59/22/569585922.db2.gz QLPXNSNUPLLDIG-UHFFFAOYSA-N 0 0 447.482 5.255 50 0 IKAARN O=C(Nc1ccccc1Br)NC1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000077197570 569586191 /nfs/dbraw/zinc/58/61/91/569586191.db2.gz QKXNVPUKHQAOMO-UHFFFAOYSA-N 0 0 447.358 5.542 50 0 IKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc(OC(F)(F)F)cc1 ZINC000077200747 569586489 /nfs/dbraw/zinc/58/64/89/569586489.db2.gz SOCNZVPSDFWGCF-UHFFFAOYSA-N 0 0 432.423 5.102 50 0 IKAARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Oc1ccccc1 ZINC000021964759 569587179 /nfs/dbraw/zinc/58/71/79/569587179.db2.gz YFRLFONIJWBRJX-UHFFFAOYSA-N 0 0 442.555 6.879 50 0 IKAARN NC1=C(c2nc(-c3ccccc3Cl)cs2)C(=O)CN1c1cccc(C(F)(F)F)c1 ZINC000034769970 569587660 /nfs/dbraw/zinc/58/76/60/569587660.db2.gz QROMZQVFMNOAKP-UHFFFAOYSA-N 0 0 435.858 5.199 50 0 IKAARN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(C)C1CCCCC1 ZINC000036791577 569587948 /nfs/dbraw/zinc/58/79/48/569587948.db2.gz HMDPQTRVJATMGX-GOSISDBHSA-N 0 0 432.593 5.477 50 0 IKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)NCCc1ccccc1 ZINC000037555848 569588056 /nfs/dbraw/zinc/58/80/56/569588056.db2.gz PVVHTCMCLKRITO-UHFFFAOYSA-N 0 0 438.527 5.028 50 0 IKAARN